#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3t s LEU -6 N 0.00 1.60 0.06 0.99 2.96 -1.26 0.35 118.68 123.39 1t3t s LEU -6 Ca 0.00 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.42 1t3t s LEU -6 Cb 0.00 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 1t3t s LEU -6 CO 0.00 -0.12 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.10 1t3t s VAL -5 N 1.58 0.96 0.39 1.68 1.01 -0.19 -4.96 120.40 120.86 1t3t s VAL -5 Ca 0.03 -1.26 -0.26 0.00 0.00 0.00 0.00 61.98 60.49 1t3t s VAL -5 Cb -0.14 -0.96 -0.11 0.00 0.00 0.00 0.00 36.38 35.18 1t3t s VAL -5 CO -0.09 -0.28 1.18 -2.65 0.00 0.00 0.00 175.10 173.27 1t3t n PRO -4 N 1.31 1.77 -3.17 2.72 -0.02 -1.26 -0.19 135.00 136.16 1t3t n PRO -4 Ca -0.21 0.63 -0.16 0.00 -2.02 0.00 0.00 63.50 61.73 1t3t n PRO -4 Cb 0.54 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 1t3t n PRO -4 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1t3t s ARG -3 N -2.00 0.90 7.24 -0.52 3.00 0.69 -4.61 118.95 123.65 1t3t s ARG -3 Ca 0.60 -1.40 0.00 0.00 -1.00 0.00 0.00 55.73 53.92 1t3t s ARG -3 Cb -0.56 -0.74 0.00 0.00 0.00 0.00 0.00 34.95 33.65 1t3t s ARG -3 CO 0.59 -1.32 0.00 0.41 0.00 0.00 0.00 175.30 174.98 1t3t n GLY -2 N 3.26 2.35 0.25 8.12 0.00 -1.26 -0.63 105.19 117.27 1t3t n GLY -2 Ca 0.21 -0.33 0.15 0.00 0.00 0.00 0.00 46.02 46.05 1t3t n GLY -2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t3t n SER -1 N 5.93 0.78 -0.83 1.61 7.64 -1.26 -4.87 113.62 122.63 1t3t n SER -1 Ca 0.00 -1.25 0.00 0.00 1.01 0.00 0.00 58.87 58.63 1t3t n SER -1 Cb 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1t3t n SER -1 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1t3t n HIS 0 N -0.40 -0.02 -4.35 1.43 -0.00 0.19 -4.99 115.22 107.09 1t3t n HIS 0 Ca 0.21 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.75 1t3t n HIS 0 Cb 0.24 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.08 1t3t n HIS 0 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1t3t s MET 1 N -0.22 0.71 -0.16 -0.41 -1.94 -0.81 -0.22 119.30 116.25 1t3t s MET 1 Ca 0.00 -0.33 -0.01 0.00 -1.71 0.00 0.00 55.69 53.64 1t3t s MET 1 Cb 0.00 -0.69 -0.01 0.00 2.01 0.00 0.00 34.83 36.14 1t3t s MET 1 CO 0.00 0.19 -0.11 1.41 -0.01 0.00 0.00 175.02 176.49 1t3t s MET 2 N -0.25 3.35 -0.16 2.03 0.00 0.73 0.25 119.30 125.26 1t3t s MET 2 Ca 0.03 -0.68 -0.07 0.00 0.00 0.00 0.00 55.69 54.97 1t3t s MET 2 Cb -0.04 -2.73 -0.04 0.00 0.00 0.00 0.00 34.83 32.03 1t3t s MET 2 CO -0.00 0.06 0.09 -2.00 0.00 0.00 0.00 175.02 173.17 1t3t s GLU 3 N 0.74 3.75 -0.26 4.11 2.12 0.15 -1.02 118.70 128.29 1t3t s GLU 3 Ca -0.05 -0.27 -0.03 0.00 0.36 0.00 0.00 54.97 54.98 1t3t s GLU 3 Cb -0.15 -3.19 0.02 0.00 0.26 0.00 0.00 34.13 31.06 1t3t s GLU 3 CO 0.02 0.47 -0.01 0.42 -0.54 0.00 0.00 175.26 175.62 1t3t s ILE 4 N -0.18 3.26 -0.22 -3.70 1.01 0.16 0.34 121.20 121.87 1t3t s ILE 4 Ca 0.09 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.84 1t3t s ILE 4 Cb -0.12 -2.67 0.03 0.00 0.01 0.00 0.00 42.46 39.72 1t3t s ILE 4 CO 0.01 0.16 -0.13 -0.76 0.00 0.00 0.00 174.94 174.22 1t3t s LEU 5 N 1.39 2.76 0.20 2.97 1.02 0.25 -2.08 118.68 125.18 1t3t s LEU 5 Ca 0.01 -0.86 -0.30 0.00 0.02 0.00 0.00 54.13 53.00 1t3t s LEU 5 Cb -0.17 -1.56 -0.09 0.00 0.02 0.00 0.00 46.19 44.39 1t3t s LEU 5 CO -0.02 -0.08 1.32 0.00 0.02 0.00 0.00 176.35 177.59 1t3t s ARG 6 N 1.27 4.38 0.00 1.70 1.70 -1.26 -0.25 118.95 126.48 1t3t s ARG 6 Ca 0.01 2.07 0.00 0.00 -0.47 0.00 0.00 55.73 57.33 1t3t s ARG 6 Cb -0.16 -3.19 0.00 0.00 -0.57 0.00 0.00 34.95 31.03 1t3t s ARG 6 CO -0.08 -0.27 0.00 0.41 -1.08 0.00 0.00 175.30 174.28 1t3t n GLY 7 N 2.40 1.90 3.94 3.88 0.00 0.18 -4.89 105.19 112.60 1t3t n GLY 7 Ca 0.06 -1.97 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 1t3t n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t3t s SER 8 N -1.00 6.12 0.21 1.61 0.01 -1.26 -4.60 113.70 114.80 1t3t s SER 8 Ca 0.00 0.45 -0.32 0.00 1.31 0.00 0.00 55.95 57.39 1t3t s SER 8 Cb 0.00 -1.88 -0.14 0.00 0.21 0.00 0.00 66.02 64.21 1t3t s SER 8 CO 0.00 -0.47 1.28 -2.65 0.41 0.00 0.00 173.24 171.81 1t3t n PRO 9 N -1.95 1.61 0.04 12.44 -0.02 -1.26 -1.70 135.00 144.16 1t3t n PRO 9 Ca -0.02 0.57 0.07 0.00 -2.02 0.00 0.00 63.50 62.11 1t3t n PRO 9 Cb 0.57 -2.15 -0.08 0.00 -0.02 0.00 0.00 33.50 31.82 1t3t n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t3t n ALA 10 N 1.66 2.42 -3.03 3.55 0.00 -0.38 -4.79 120.51 119.94 1t3t n ALA 10 Ca 0.13 -0.47 -0.31 0.00 0.00 0.00 0.00 53.44 52.79 1t3t n ALA 10 Cb 0.28 -0.89 -0.17 0.00 0.00 0.00 0.00 19.45 18.67 1t3t n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1t3t s LEU 11 N -5.18 2.05 0.87 0.00 1.43 -1.26 -5.03 118.68 111.57 1t3t s LEU 11 Ca -0.04 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 1t3t s LEU 11 Cb 0.11 -1.35 0.11 0.00 0.03 0.00 0.00 46.19 45.09 1t3t s LEU 11 CO 0.84 0.19 1.09 -0.94 0.23 0.00 0.00 176.35 177.76 1t3t s SER 12 N 0.15 3.73 0.19 2.29 1.04 -1.26 -4.77 113.70 115.07 1t3t s SER 12 Ca -0.12 1.43 -0.12 0.00 0.48 0.00 0.00 55.95 57.62 1t3t s SER 12 Cb -0.16 -2.12 0.22 0.00 0.10 0.00 0.00 66.02 64.06 1t3t s SER 12 CO 0.06 -2.47 1.71 0.00 0.98 0.00 0.00 173.24 173.53 1t3t h ALA 13 N -1.43 0.61 -0.06 5.32 0.00 -2.00 -1.66 119.26 120.05 1t3t h ALA 13 Ca -0.49 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1t3t h ALA 13 Cb 1.28 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1t3t h ALA 13 CO 0.56 -0.30 -0.27 0.27 0.00 0.00 0.00 179.25 179.51 1t3t h PHE 14 N 0.25 0.11 -0.26 0.00 -5.15 -1.99 -0.78 116.94 109.13 1t3t h PHE 14 Ca 0.27 -0.02 -0.14 0.00 -0.20 0.00 0.00 57.97 57.88 1t3t h PHE 14 Cb 0.37 -0.03 -0.00 0.00 0.22 0.00 0.00 35.95 36.51 1t3t h PHE 14 CO -0.23 0.36 -0.40 0.00 -2.00 0.00 0.00 178.31 176.05 1t3t h ARG 15 N 0.09 0.73 -0.61 6.09 2.47 -1.75 -1.01 114.38 120.39 1t3t h ARG 15 Ca 0.01 -0.44 -0.03 0.00 -1.26 0.00 0.00 59.98 58.26 1t3t h ARG 15 Cb 0.53 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 1t3t h ARG 15 CO 0.04 1.06 0.25 0.82 0.56 0.00 0.00 179.97 182.69 1t3t h ILE 16 N 0.47 1.23 -0.16 2.04 2.04 -0.94 -1.89 117.51 120.30 1t3t h ILE 16 Ca 0.02 -0.72 -0.07 0.00 1.00 0.00 0.00 64.86 65.09 1t3t h ILE 16 Cb 0.99 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1t3t h ILE 16 CO 0.09 0.28 -0.22 0.78 0.00 0.00 0.00 178.15 179.08 1t3t h ASN 17 N 0.85 0.27 -0.40 1.72 2.35 -1.08 -1.74 115.58 117.55 1t3t h ASN 17 Ca 0.20 -0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 55.76 1t3t h ASN 17 Cb 0.20 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1t3t h ASN 17 CO -0.02 0.51 -0.18 0.50 -1.65 0.00 0.00 177.43 176.60 1t3t h LYS 18 N 0.26 0.89 -0.11 0.81 3.64 -0.71 -1.56 116.57 119.79 1t3t h LYS 18 Ca 0.04 -0.35 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1t3t h LYS 18 Cb 0.55 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1t3t h LYS 18 CO 0.04 1.00 -0.06 -0.07 -2.27 0.00 0.00 179.45 178.08 1t3t h LEU 19 N 0.78 0.24 -0.84 5.20 3.38 -0.97 -2.15 115.31 120.95 1t3t h LEU 19 Ca 0.11 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.68 1t3t h LEU 19 Cb 0.72 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 1t3t h LEU 19 CO 0.06 0.61 0.55 -0.07 0.09 0.00 0.00 178.44 179.68 1t3t h LEU 20 N -0.14 0.92 -1.18 1.67 3.38 -1.29 -1.36 115.31 117.30 1t3t h LEU 20 Ca 0.02 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1t3t h LEU 20 Cb 0.53 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1t3t h LEU 20 CO 0.02 0.64 -0.20 0.00 0.09 0.00 0.00 178.44 178.99 1t3t h ALA 21 N 1.33 1.32 0.00 1.53 0.00 -1.27 -2.25 119.26 119.92 1t3t h ALA 21 Ca 0.33 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1t3t h ALA 21 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1t3t h ALA 21 CO -0.10 0.46 -0.45 -0.09 0.00 0.00 0.00 179.25 179.07 1t3t h ARG 22 N 0.30 0.00 -0.21 0.00 2.43 -0.64 -2.69 114.38 113.56 1t3t h ARG 22 Ca 0.05 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.04 1t3t h ARG 22 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1t3t h ARG 22 CO 0.03 0.45 -0.61 0.74 -1.51 0.00 0.00 179.97 179.08 1t3t h PHE 23 N 0.00 0.94 0.00 2.20 0.04 -0.69 -3.04 116.94 116.39 1t3t h PHE 23 Ca -0.00 -0.36 -0.10 0.00 2.80 0.00 0.00 57.97 60.31 1t3t h PHE 23 Cb 1.00 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.97 1t3t h PHE 23 CO 0.00 1.15 -0.47 1.96 -0.60 0.00 0.00 178.31 180.35 1t3t h GLN 24 N 0.54 0.00 0.00 1.51 4.20 -1.36 0.19 115.11 120.19 1t3t h GLN 24 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1t3t h GLN 24 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1t3t h GLN 24 CO 0.13 0.47 0.00 0.00 -0.67 0.00 0.00 178.83 178.76 1t3t n ALA 25 N -2.44 1.97 -0.01 3.87 0.00 -1.03 -2.15 120.51 120.72 1t3t n ALA 25 Ca -0.01 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.36 1t3t n ALA 25 Cb 0.50 -1.33 0.02 0.00 0.00 0.00 0.00 19.45 18.65 1t3t n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3t n ALA 26 N -1.43 2.09 -2.34 0.00 0.00 -0.94 -4.99 120.51 112.91 1t3t n ALA 26 Ca 0.06 -0.95 -0.18 0.00 0.00 0.00 0.00 53.44 52.38 1t3t n ALA 26 Cb 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.59 1t3t n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1t3t n ASN 27 N -0.28 -5.18 -4.44 0.00 3.02 -0.92 -4.98 115.26 102.48 1t3t n ASN 27 Ca 0.02 -0.02 -0.44 0.00 -0.03 0.00 0.00 54.58 54.11 1t3t n ASN 27 Cb 0.24 -4.26 -0.09 0.00 -0.61 0.00 0.00 39.78 35.07 1t3t n ASN 27 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1t3t s LEU 28 N -5.10 5.22 -1.10 3.41 1.43 0.62 -5.00 118.68 118.16 1t3t s LEU 28 Ca 0.00 -1.00 -0.22 0.00 -1.03 0.00 0.00 54.13 51.88 1t3t s LEU 28 Cb -0.00 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 1t3t s LEU 28 CO 0.00 -0.57 1.78 -1.58 0.23 0.00 0.00 176.35 176.20 1t3t s GLN 29 N 1.83 3.13 -0.27 1.70 0.74 -1.26 -4.03 119.66 121.49 1t3t s GLN 29 Ca 0.07 -1.14 -0.10 0.00 0.05 0.00 0.00 55.36 54.24 1t3t s GLN 29 Cb -0.20 -5.30 -0.04 0.00 1.10 0.00 0.00 33.01 28.56 1t3t s GLN 29 CO 0.10 -3.00 0.16 0.08 -0.55 0.00 0.00 175.29 172.07 1t3t s VAL 30 N 7.73 5.07 0.08 1.34 1.01 -1.26 -4.66 120.40 129.71 1t3t s VAL 30 Ca 0.60 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.54 1t3t s VAL 30 Cb -0.01 -3.40 -0.23 0.00 0.00 0.00 0.00 36.38 32.74 1t3t s VAL 30 CO 0.03 0.28 1.20 0.45 0.00 0.00 0.00 175.10 177.06 1t3t h HIS 31 N 8.24 0.99 -2.25 5.22 -0.00 -1.20 -3.48 115.15 122.67 1t3t h HIS 31 Ca -0.36 -0.54 0.03 0.00 -0.00 0.00 0.00 60.37 59.49 1t3t h HIS 31 Cb 1.18 -0.11 -0.17 0.00 -0.00 0.00 0.00 27.41 28.31 1t3t h HIS 31 CO 0.73 1.38 0.35 1.21 -0.00 0.00 0.00 177.93 181.60 1t3t s ASN 32 N -7.27 -0.49 -0.00 2.45 2.47 -1.10 -5.01 114.94 105.98 1t3t s ASN 32 Ca -0.09 0.27 -0.01 0.00 0.42 0.00 0.00 52.86 53.44 1t3t s ASN 32 Cb 0.07 0.46 -0.00 0.00 -1.45 0.00 0.00 41.25 40.33 1t3t s ASN 32 CO 0.92 -0.65 0.02 -0.51 -3.72 0.00 0.00 177.10 173.15 1t3t s ILE 33 N -2.39 0.03 0.00 -5.21 2.07 -1.26 -0.95 121.20 113.50 1t3t s ILE 33 Ca -0.02 -0.29 -0.01 0.00 -1.41 0.00 0.00 60.65 58.93 1t3t s ILE 33 Cb -0.01 -0.13 -0.01 0.00 0.13 0.00 0.00 42.46 42.45 1t3t s ILE 33 CO -0.03 -0.16 0.01 -0.47 -1.91 0.00 0.00 174.94 172.38 1t3t s TYR 34 N -0.47 0.07 0.05 3.50 5.04 -0.39 -4.98 117.35 120.17 1t3t s TYR 34 Ca -0.05 -0.14 0.05 0.00 -2.44 0.00 0.00 57.07 54.49 1t3t s TYR 34 Cb -0.03 -0.06 -0.02 0.00 0.35 0.00 0.00 41.96 42.20 1t3t s TYR 34 CO -0.00 -0.08 -0.15 0.00 -1.34 0.00 0.00 175.55 173.97 1t3t s ALA 35 N -0.52 1.30 -0.08 3.97 0.00 -1.26 0.06 121.76 125.22 1t3t s ALA 35 Ca -0.06 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 1t3t s ALA 35 Cb -0.04 -0.20 0.04 0.00 0.00 0.00 0.00 23.12 22.92 1t3t s ALA 35 CO -0.00 0.25 0.19 -2.00 0.00 0.00 0.00 175.76 174.20 1t3t s GLU 36 N -1.27 0.16 0.43 0.00 2.12 -0.24 -1.25 118.70 118.66 1t3t s GLU 36 Ca 0.02 0.41 -0.24 0.00 0.36 0.00 0.00 54.97 55.53 1t3t s GLU 36 Cb -0.08 -0.10 -0.08 0.00 0.26 0.00 0.00 34.13 34.12 1t3t s GLU 36 CO 0.02 -0.14 1.16 0.71 -0.54 0.00 0.00 175.26 176.47 1t3t s TYR 37 N 1.01 2.97 -0.03 5.30 2.02 -0.69 0.25 117.35 128.17 1t3t s TYR 37 Ca -0.07 1.55 0.01 0.00 -0.37 0.00 0.00 57.07 58.18 1t3t s TYR 37 Cb -0.09 -3.38 0.02 0.00 -0.40 0.00 0.00 41.96 38.11 1t3t s TYR 37 CO -0.06 -1.40 -0.04 0.54 -1.57 0.00 0.00 175.55 173.02 1t3t s VAL 38 N -1.49 0.46 -0.03 0.71 0.11 -0.31 0.48 120.40 120.33 1t3t s VAL 38 Ca 0.60 -0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.54 1t3t s VAL 38 Cb -0.29 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1t3t s VAL 38 CO 0.36 0.19 0.01 -1.00 -3.33 0.00 0.00 175.10 171.34 1t3t s HIS 39 N 0.72 3.13 -0.12 1.54 0.09 0.65 -0.92 115.29 120.38 1t3t s HIS 39 Ca -0.09 0.13 0.02 0.00 -0.00 0.00 0.00 55.06 55.12 1t3t s HIS 39 Cb -0.12 -1.71 0.01 0.00 -0.00 0.00 0.00 32.58 30.76 1t3t s HIS 39 CO -0.00 0.48 -0.17 -0.06 -0.00 0.00 0.00 174.74 174.99 1t3t s PHE 40 N -1.05 2.17 -0.22 1.40 0.08 0.55 -0.58 117.98 120.32 1t3t s PHE 40 Ca 0.18 -1.06 0.00 0.00 0.12 0.00 0.00 56.93 56.17 1t3t s PHE 40 Cb -0.12 -1.54 0.03 0.00 -0.57 0.00 0.00 43.02 40.82 1t3t s PHE 40 CO 0.09 -0.53 -0.12 0.00 -0.10 0.00 0.00 175.22 174.55 1t3t s ALA 41 N 1.00 2.54 -0.36 5.36 0.00 0.15 -0.66 121.76 129.79 1t3t s ALA 41 Ca -0.05 -1.42 -0.22 0.00 0.00 0.00 0.00 51.96 50.26 1t3t s ALA 41 Cb -0.15 -1.48 0.01 0.00 0.00 0.00 0.00 23.12 21.50 1t3t s ALA 41 CO -0.03 -0.70 0.74 0.34 0.00 0.00 0.00 175.76 176.11 1t3t s ASP 42 N 1.27 6.52 -0.15 0.00 2.15 0.27 0.34 116.67 127.06 1t3t s ASP 42 Ca 0.00 0.30 -0.05 0.00 0.43 0.00 0.00 52.55 53.23 1t3t s ASP 42 Cb -0.16 -2.38 -0.03 0.00 -0.30 0.00 0.00 42.92 40.05 1t3t s ASP 42 CO -0.08 -0.69 0.01 -0.76 -0.17 0.00 0.00 175.17 173.49 1t3t s LEU 43 N 2.98 3.56 0.00 -1.34 1.02 0.14 0.85 118.68 125.89 1t3t s LEU 43 Ca 0.29 0.02 0.25 0.00 0.02 0.00 0.00 54.13 54.71 1t3t s LEU 43 Cb -0.14 -1.87 0.46 0.00 0.02 0.00 0.00 46.19 44.67 1t3t s LEU 43 CO 0.16 0.21 1.39 -0.46 0.02 0.00 0.00 176.35 177.68 1t3t n ASN 44 N 3.25 1.90 -3.47 2.29 0.23 0.16 -1.92 115.26 117.70 1t3t n ASN 44 Ca -0.17 -1.47 -0.10 0.00 -0.53 0.00 0.00 54.58 52.30 1t3t n ASN 44 Cb 0.53 0.17 -0.02 0.00 -2.08 0.00 0.00 39.78 38.38 1t3t n ASN 44 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1t3t s ALA 45 N -2.26 -1.69 0.67 -2.53 0.00 -1.25 -5.02 121.76 109.67 1t3t s ALA 45 Ca 0.27 0.70 -0.16 0.00 0.00 0.00 0.00 51.96 52.76 1t3t s ALA 45 Cb 0.19 0.68 0.00 0.00 0.00 0.00 0.00 23.12 24.00 1t3t s ALA 45 CO 0.44 -0.74 1.18 -2.14 0.00 0.00 0.00 175.76 174.50 1t3t s PRO 46 N -3.47 2.59 -0.17 0.00 0.02 -1.26 -4.85 135.00 127.86 1t3t s PRO 46 Ca 0.03 1.67 -0.02 0.00 0.02 0.00 0.00 61.00 62.70 1t3t s PRO 46 Cb -0.01 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.60 1t3t s PRO 46 CO -0.11 -1.47 -0.09 -0.51 -0.33 0.00 0.00 177.00 174.50 1t3t s LEU 47 N -4.73 2.82 0.91 -5.54 1.02 -1.26 -4.96 118.68 106.95 1t3t s LEU 47 Ca 0.73 -0.35 -0.14 0.00 0.02 0.00 0.00 54.13 54.39 1t3t s LEU 47 Cb -0.27 -1.68 0.15 0.00 0.02 0.00 0.00 46.19 44.42 1t3t s LEU 47 CO 0.40 0.08 1.23 0.54 0.02 0.00 0.00 176.35 178.62 1t3t s ASN 48 N 0.87 3.54 0.25 2.29 2.20 -1.26 -4.69 114.94 118.13 1t3t s ASN 48 Ca -0.02 0.58 -0.04 0.00 -0.94 0.00 0.00 52.86 52.43 1t3t s ASN 48 Cb -0.15 -0.87 0.45 0.00 -2.00 0.00 0.00 41.25 38.68 1t3t s ASN 48 CO 0.01 -2.49 1.74 0.44 -2.94 0.00 0.00 177.10 173.86 1t3t h ASP 49 N -1.47 0.36 -0.21 3.54 3.32 -2.00 0.12 116.42 120.08 1t3t h ASP 49 Ca -0.46 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 1t3t h ASP 49 Cb 1.29 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 1t3t h ASP 49 CO 0.51 0.15 0.07 -1.28 -1.72 0.00 0.00 179.24 176.98 1t3t h SER 50 N 0.50 0.31 -0.40 6.45 0.87 -1.99 -1.54 113.55 117.74 1t3t h SER 50 Ca 0.41 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.69 1t3t h SER 50 Cb 0.59 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1t3t h SER 50 CO -0.37 0.42 -0.05 -0.33 -0.53 0.00 0.00 176.83 175.97 1t3t h GLU 51 N 0.18 0.82 -0.57 2.24 5.08 -1.78 -1.64 114.58 118.91 1t3t h GLU 51 Ca 0.07 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1t3t h GLU 51 Cb 0.22 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1t3t h GLU 51 CO -0.00 0.86 0.24 0.37 -1.00 0.00 0.00 179.01 179.48 1t3t h GLN 52 N 0.76 0.84 -0.90 2.33 5.75 -0.67 -0.55 115.11 122.67 1t3t h GLN 52 Ca 0.14 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1t3t h GLN 52 Cb 0.52 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.89 1t3t h GLN 52 CO 0.03 0.71 0.50 0.00 -2.65 0.00 0.00 178.83 177.42 1t3t h ALA 53 N 1.09 1.16 -0.65 3.38 0.00 -0.91 -1.08 119.26 122.24 1t3t h ALA 53 Ca 0.19 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1t3t h ALA 53 Cb 0.17 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1t3t h ALA 53 CO -0.02 0.66 0.06 1.96 0.00 0.00 0.00 179.25 181.91 1t3t h GLN 54 N 1.26 1.10 -0.26 0.00 4.20 -0.83 -1.09 115.11 119.50 1t3t h GLN 54 Ca 0.32 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1t3t h GLN 54 Cb 0.02 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1t3t h GLN 54 CO -0.05 1.04 0.03 1.25 -0.67 0.00 0.00 178.83 180.43 1t3t h LEU 55 N 1.02 0.42 -0.76 1.46 5.85 -0.58 -0.59 115.31 122.13 1t3t h LEU 55 Ca 0.19 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1t3t h LEU 55 Cb 0.50 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1t3t h LEU 55 CO 0.02 0.59 0.50 0.74 -0.34 0.00 0.00 178.44 179.94 1t3t h THR 56 N 0.23 1.20 -0.60 1.05 2.02 -1.11 -2.10 112.91 113.60 1t3t h THR 56 Ca 0.08 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 1t3t h THR 56 Cb 0.35 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 1t3t h THR 56 CO 0.01 0.19 0.27 -0.09 0.37 0.00 0.00 175.52 176.26 1t3t h ARG 57 N 1.03 0.87 -0.55 6.66 2.43 -0.99 -2.17 114.38 121.67 1t3t h ARG 57 Ca 0.28 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 59.35 1t3t h ARG 57 Cb -0.11 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.26 1t3t h ARG 57 CO -0.06 0.72 0.37 -0.07 -1.51 0.00 0.00 179.97 179.42 1t3t h LEU 58 N 0.82 0.50 -1.56 3.80 3.38 -0.62 -1.71 115.31 119.92 1t3t h LEU 58 Ca 0.20 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1t3t h LEU 58 Cb 0.16 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1t3t h LEU 58 CO -0.02 0.34 0.00 0.18 0.09 0.00 0.00 178.44 179.03 1t3t n LEU 59 N -4.47 2.27 -4.25 1.67 4.77 -0.83 -4.68 117.00 111.48 1t3t n LEU 59 Ca 0.07 -1.14 -0.41 0.00 -0.03 0.00 0.00 56.01 54.50 1t3t n LEU 59 Cb 0.19 -0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 40.83 1t3t n LEU 59 CO 0.34 0.42 -0.05 -1.10 -1.33 0.00 0.00 177.39 175.68 1t3t s GLN 60 N -1.65 2.59 0.37 3.23 -1.52 -0.64 -4.77 119.66 117.27 1t3t s GLN 60 Ca 0.22 -1.60 -0.12 0.00 -1.95 0.00 0.00 55.36 51.91 1t3t s GLN 60 Cb 0.14 -3.90 0.04 0.00 -0.22 0.00 0.00 33.01 29.07 1t3t s GLN 60 CO 0.12 -1.08 0.71 1.52 -0.25 0.00 0.00 175.29 176.30 1t3t s TYR 61 N 1.42 0.35 0.00 0.91 -0.85 -1.26 -5.01 117.35 112.91 1t3t s TYR 61 Ca 0.04 -0.91 0.00 0.00 -0.52 0.00 0.00 57.07 55.68 1t3t s TYR 61 Cb -0.25 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.69 1t3t s TYR 61 CO 0.01 -1.45 0.00 0.41 -1.52 0.00 0.00 175.55 173.00 1t3t n GLY 62 N -0.54 -0.87 3.76 5.49 0.00 -1.26 -4.79 105.19 106.99 1t3t n GLY 62 Ca -0.06 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 1t3t n GLY 62 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1t3t s PRO 63 N -1.44 3.40 -1.31 1.61 0.02 -1.26 -4.90 135.00 131.12 1t3t s PRO 63 Ca 0.00 2.13 -0.17 0.00 0.02 0.00 0.00 61.00 62.97 1t3t s PRO 63 Cb 0.00 -2.36 0.07 0.00 0.02 0.00 0.00 34.50 32.23 1t3t s PRO 63 CO 0.00 -0.95 1.77 0.00 -0.33 0.00 0.00 177.00 177.49 1t3t n ALA 64 N -0.74 3.78 -1.99 -1.55 0.00 -1.26 -4.88 120.51 113.88 1t3t n ALA 64 Ca 0.09 -3.88 -0.28 0.00 0.00 0.00 0.00 53.44 49.36 1t3t n ALA 64 Cb 0.45 -3.57 0.04 0.00 0.00 0.00 0.00 19.45 16.37 1t3t n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1t3t s LEU 65 N 3.84 3.09 -0.03 0.00 1.43 -1.26 -4.98 118.68 120.77 1t3t s LEU 65 Ca 0.53 0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 54.27 1t3t s LEU 65 Cb 0.05 -3.77 -0.08 0.00 0.03 0.00 0.00 46.19 42.42 1t3t s LEU 65 CO 0.06 -1.17 2.04 -1.20 0.23 0.00 0.00 176.35 176.30 1t3t n SER 66 N -2.78 3.92 -4.86 2.29 7.64 -1.26 -4.79 113.62 113.78 1t3t n SER 66 Ca 0.06 0.74 -0.34 0.00 1.01 0.00 0.00 58.87 60.33 1t3t n SER 66 Cb 0.57 -1.53 -0.06 0.00 -1.01 0.00 0.00 64.21 62.19 1t3t n SER 66 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1t3t s SER 67 N 5.39 6.72 0.06 6.43 0.15 -1.26 -4.83 113.70 126.35 1t3t s SER 67 Ca 0.92 0.93 -0.05 0.00 0.70 0.00 0.00 55.95 58.46 1t3t s SER 67 Cb -0.42 -2.23 -0.02 0.00 -1.71 0.00 0.00 66.02 61.64 1t3t s SER 67 CO 0.41 0.10 0.08 -1.00 1.20 0.00 0.00 173.24 174.02 1t3t s HIS 68 N -1.51 0.30 -0.01 3.44 3.76 -1.26 -5.14 115.29 114.88 1t3t s HIS 68 Ca 0.38 -0.73 -0.29 0.00 -0.15 0.00 0.00 55.06 54.26 1t3t s HIS 68 Cb -0.14 -0.21 -0.03 0.00 1.11 0.00 0.00 32.58 33.31 1t3t s HIS 68 CO 0.19 -0.42 0.95 0.95 -0.85 0.00 0.00 174.74 175.56 1t3t s THR 69 N -3.43 4.89 0.10 1.30 -4.23 -1.26 -4.97 115.64 108.02 1t3t s THR 69 Ca 0.02 2.00 -0.36 0.00 -1.18 0.00 0.00 61.69 62.17 1t3t s THR 69 Cb 0.04 -4.29 -0.16 0.00 1.34 0.00 0.00 72.50 69.43 1t3t s THR 69 CO -0.08 0.17 1.41 -2.65 -0.54 0.00 0.00 174.62 172.93 1t3t n PRO 70 N 3.90 1.41 -3.75 3.99 -0.02 -1.26 -4.99 135.00 134.27 1t3t n PRO 70 Ca 0.05 0.51 -0.13 0.00 -2.02 0.00 0.00 63.50 61.91 1t3t n PRO 70 Cb 0.51 -2.19 -0.11 0.00 -0.02 0.00 0.00 33.50 31.70 1t3t n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t3t s ALA 71 N 0.69 -0.83 0.00 3.55 0.00 -1.26 -5.13 121.76 118.78 1t3t s ALA 71 Ca 0.83 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.77 1t3t s ALA 71 Cb -0.89 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1t3t s ALA 71 CO 0.45 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.46 1t3t n GLY 72 N 3.00 -1.82 3.74 0.00 0.00 -1.26 -4.18 105.19 104.68 1t3t n GLY 72 Ca -0.14 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.51 1t3t n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1t3t s LYS 73 N 0.00 4.49 -0.03 1.61 2.20 -0.42 -4.76 119.74 122.84 1t3t s LYS 73 Ca 0.00 1.07 -0.23 0.00 -0.36 0.00 0.00 55.97 56.44 1t3t s LYS 73 Cb 0.00 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 1t3t s LYS 73 CO 0.00 0.24 0.70 -1.17 -0.36 0.00 0.00 175.35 174.76 1t3t s LEU 74 N 0.10 4.36 -0.30 5.43 2.96 -1.26 -1.46 118.68 128.52 1t3t s LEU 74 Ca 0.39 1.24 -0.02 0.00 -0.22 0.00 0.00 54.13 55.53 1t3t s LEU 74 Cb -0.20 -3.09 0.10 0.00 0.50 0.00 0.00 46.19 43.50 1t3t s LEU 74 CO 0.23 -0.05 0.10 -0.76 -1.32 0.00 0.00 176.35 174.55 1t3t s LEU 75 N 0.44 1.85 -0.27 -0.68 1.43 -0.21 -4.71 118.68 116.53 1t3t s LEU 75 Ca 0.37 -1.52 -0.23 0.00 -1.03 0.00 0.00 54.13 51.72 1t3t s LEU 75 Cb -0.18 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.28 1t3t s LEU 75 CO 0.19 -0.41 0.74 -0.22 0.23 0.00 0.00 176.35 176.88 1t3t s LEU 76 N 1.72 4.08 -0.23 1.79 2.96 0.11 -1.56 118.68 127.56 1t3t s LEU 76 Ca 0.09 0.78 -0.09 0.00 -0.22 0.00 0.00 54.13 54.69 1t3t s LEU 76 Cb -0.17 -3.02 -0.04 0.00 0.50 0.00 0.00 46.19 43.45 1t3t s LEU 76 CO -0.27 -0.49 0.12 -0.69 -1.32 0.00 0.00 176.35 173.71 1t3t s VAL 77 N 2.75 5.06 0.20 1.68 1.01 -0.38 0.57 120.40 131.30 1t3t s VAL 77 Ca 0.31 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 1t3t s VAL 77 Cb -0.15 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1t3t s VAL 77 CO 0.09 0.37 0.12 0.42 0.00 0.00 0.00 175.10 176.10 1t3t s THR 78 N 1.02 0.09 0.68 3.92 -4.23 -0.75 -0.91 115.64 115.47 1t3t s THR 78 Ca 0.06 -1.99 -0.16 0.00 -1.18 0.00 0.00 61.69 58.42 1t3t s THR 78 Cb -0.14 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.23 1t3t s THR 78 CO 0.04 -0.03 1.17 -2.84 -0.54 0.00 0.00 174.62 172.42 1t3t s PRO 79 N -4.13 2.49 0.40 3.99 0.02 -1.26 -1.17 135.00 135.33 1t3t s PRO 79 Ca 0.38 1.65 -0.27 0.00 0.02 0.00 0.00 61.00 62.78 1t3t s PRO 79 Cb 0.07 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.61 1t3t s PRO 79 CO 0.12 -1.54 1.35 -0.98 -0.33 0.00 0.00 177.00 175.61 1t3t s ARG 80 N -3.87 4.01 0.29 5.54 3.03 -0.66 -4.48 118.95 122.81 1t3t s ARG 80 Ca 0.72 2.27 -0.29 0.00 2.03 0.00 0.00 55.73 60.46 1t3t s ARG 80 Cb -0.26 -2.82 -0.13 0.00 -1.03 0.00 0.00 34.95 30.70 1t3t s ARG 80 CO 0.42 -0.50 1.34 -2.30 -1.13 0.00 0.00 175.30 173.13 1t3t n PRO 81 N 0.24 2.07 -0.18 3.89 -0.02 -1.26 -1.65 135.00 138.07 1t3t n PRO 81 Ca 0.03 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1t3t n PRO 81 Cb 0.42 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1t3t n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t3t n GLY 82 N 1.46 0.62 3.37 -1.23 0.00 -1.26 -5.06 105.19 103.10 1t3t n GLY 82 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1t3t n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t3t s THR 83 N -2.41 2.16 -0.17 2.61 2.01 -0.66 -4.84 115.64 114.33 1t3t s THR 83 Ca 0.00 -1.71 0.01 0.00 0.31 0.00 0.00 61.69 60.30 1t3t s THR 83 Cb 0.00 -1.91 0.03 0.00 0.01 0.00 0.00 72.50 70.62 1t3t s THR 83 CO 0.00 0.07 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.22 1t3t s ILE 84 N -1.07 1.78 0.55 1.82 1.01 -1.26 -4.81 121.20 119.21 1t3t s ILE 84 Ca 0.13 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 59.73 1t3t s ILE 84 Cb -0.10 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 1t3t s ILE 84 CO 0.06 0.40 1.10 -0.94 0.00 0.00 0.00 174.94 175.55 1t3t s SER 85 N 1.38 5.80 0.47 3.58 1.04 -1.26 -4.91 113.70 119.80 1t3t s SER 85 Ca 0.03 2.05 0.14 0.00 0.48 0.00 0.00 55.95 58.65 1t3t s SER 85 Cb -0.14 -2.57 1.11 0.00 0.10 0.00 0.00 66.02 64.52 1t3t s SER 85 CO -0.11 -1.16 2.08 -0.65 0.98 0.00 0.00 173.24 174.38 1t3t h PRO 86 N 1.05 0.24 -0.55 4.02 0.11 -2.00 0.11 132.00 134.97 1t3t h PRO 86 Ca -0.49 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.68 1t3t h PRO 86 Cb 1.24 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1t3t h PRO 86 CO 0.57 0.16 0.23 2.35 -0.21 0.00 0.00 178.00 181.10 1t3t h TRP 87 N 0.25 0.40 -0.20 0.65 7.01 -1.93 -1.59 115.95 120.53 1t3t h TRP 87 Ca 0.12 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.16 1t3t h TRP 87 Cb 0.17 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 1t3t h TRP 87 CO -0.00 0.14 0.11 1.03 -2.79 0.00 0.00 178.44 176.93 1t3t h SER 88 N 0.43 0.17 -0.49 2.65 0.87 -1.15 0.17 113.55 116.20 1t3t h SER 88 Ca 0.26 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.87 1t3t h SER 88 Cb 0.27 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 1t3t h SER 88 CO -0.24 0.13 0.25 0.28 -0.53 0.00 0.00 176.83 176.72 1t3t h SER 89 N 0.23 0.37 0.20 6.23 0.02 -1.10 -0.59 113.55 118.91 1t3t h SER 89 Ca 0.08 0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 60.82 1t3t h SER 89 Cb 0.01 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.50 1t3t h SER 89 CO -0.05 0.26 -0.92 0.11 -1.14 0.00 0.00 176.83 175.10 1t3t h LYS 90 N 0.50 0.52 -0.33 3.45 1.57 -1.13 -2.69 116.57 118.46 1t3t h LYS 90 Ca 0.21 -0.52 -0.12 0.00 -1.87 0.00 0.00 60.65 58.35 1t3t h LYS 90 Cb 0.10 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1t3t h LYS 90 CO -0.14 1.15 -0.29 0.00 -0.57 0.00 0.00 179.45 179.61 1t3t h ALA 91 N 0.67 0.89 -0.13 3.86 0.00 -0.54 -2.52 119.26 121.48 1t3t h ALA 91 Ca -0.08 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 1t3t h ALA 91 Cb 1.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1t3t h ALA 91 CO 0.17 0.63 -0.41 1.15 0.00 0.00 0.00 179.25 180.78 1t3t h THR 92 N 0.58 1.31 -0.66 0.00 2.02 -1.13 -2.15 112.91 112.88 1t3t h THR 92 Ca 0.07 -1.54 -0.06 0.00 0.77 0.00 0.00 66.41 65.65 1t3t h THR 92 Cb 0.78 1.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.83 1t3t h THR 92 CO 0.06 0.46 0.17 0.44 0.37 0.00 0.00 175.52 177.03 1t3t h ASP 93 N 0.25 0.98 -0.03 4.18 3.45 -1.16 -1.59 116.42 122.50 1t3t h ASP 93 Ca 0.02 -0.23 -0.00 0.00 0.43 0.00 0.00 57.03 57.26 1t3t h ASP 93 Cb 0.84 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 39.35 1t3t h ASP 93 CO 0.07 0.95 0.01 0.40 -1.57 0.00 0.00 179.24 179.10 1t3t h ILE 94 N 0.97 1.10 -0.52 0.35 2.04 -1.22 0.86 117.51 121.09 1t3t h ILE 94 Ca 0.21 -0.30 0.10 0.00 1.00 0.00 0.00 64.86 65.87 1t3t h ILE 94 Cb 0.34 1.26 -0.08 0.00 -0.74 0.00 0.00 36.82 37.60 1t3t h ILE 94 CO -0.00 0.08 0.02 0.00 0.00 0.00 0.00 178.15 178.25 1t3t h ALA 95 N 0.89 0.52 -0.52 1.87 0.00 -1.22 -0.10 119.26 120.70 1t3t h ALA 95 Ca 0.01 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1t3t h ALA 95 Cb 0.12 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1t3t h ALA 95 CO -0.00 -0.37 0.20 0.45 0.00 0.00 0.00 179.25 179.53 1t3t h HIS 96 N 0.14 0.80 0.00 0.00 3.86 -1.01 -0.46 115.15 118.47 1t3t h HIS 96 Ca 0.26 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1t3t h HIS 96 Cb 0.40 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1t3t h HIS 96 CO -0.30 0.67 0.00 0.09 0.86 0.00 0.00 177.93 179.24 1t3t n ASN 97 N -4.52 0.00 -1.34 2.45 4.13 0.27 -1.68 115.26 114.56 1t3t n ASN 97 Ca 0.02 0.26 0.09 0.00 1.68 0.00 0.00 54.58 56.63 1t3t n ASN 97 Cb 0.16 -0.39 0.31 0.00 -1.54 0.00 0.00 39.78 38.33 1t3t n ASN 97 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1t3t n GLY 99 N 0.85 0.47 2.85 0.00 0.00 -0.68 -4.84 105.19 103.84 1t3t n GLY 99 Ca 0.23 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1t3t n GLY 99 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t3t n LEU 100 N -0.03 6.85 0.28 0.99 4.77 -0.25 -4.78 117.00 124.84 1t3t n LEU 100 Ca -0.00 -5.24 0.19 0.00 -0.03 0.00 0.00 56.01 50.93 1t3t n LEU 100 Cb 0.03 -1.25 0.90 0.00 -2.33 0.00 0.00 43.42 40.77 1t3t n LEU 100 CO 0.00 1.82 1.05 1.56 -1.33 0.00 0.00 177.39 180.49 1t3t h GLN 101 N 4.98 0.00 0.00 3.23 7.50 -1.83 -2.32 115.11 126.67 1t3t h GLN 101 Ca 0.35 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.50 1t3t h GLN 101 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.03 1t3t h GLN 101 CO 1.31 0.00 0.00 1.96 -1.50 0.00 0.00 178.83 180.60 1t3t h GLN 102 N 0.00 0.00 -6.58 1.46 7.50 -1.89 -3.40 115.11 112.20 1t3t h GLN 102 Ca 0.00 0.00 -0.57 0.00 0.50 0.00 0.00 58.65 58.58 1t3t h GLN 102 Cb 0.22 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 27.67 1t3t h GLN 102 CO 0.00 0.00 0.87 0.08 -1.50 0.00 0.00 178.83 178.28 1t3t s VAL 103 N -3.82 4.23 0.03 -0.54 1.01 -0.87 -0.66 120.40 119.77 1t3t s VAL 103 Ca -0.01 1.07 -0.18 0.00 0.00 0.00 0.00 61.98 62.86 1t3t s VAL 103 Cb 0.10 -4.59 -0.20 0.00 0.00 0.00 0.00 36.38 31.68 1t3t s VAL 103 CO 0.49 -1.03 1.18 -0.78 0.00 0.00 0.00 175.10 174.96 1t3t h ASP 104 N 9.25 0.63 -3.43 3.32 3.58 0.23 -3.47 116.42 126.53 1t3t h ASP 104 Ca -0.24 -0.70 0.02 0.00 0.42 0.00 0.00 57.03 56.54 1t3t h ASP 104 Cb 1.06 -0.19 -0.23 0.00 1.72 0.00 0.00 39.33 41.69 1t3t h ASP 104 CO 1.12 1.23 0.25 -0.60 -2.88 0.00 0.00 179.24 178.36 1t3t s ARG 105 N -3.47 0.66 -0.11 0.28 3.52 -1.07 -4.99 118.95 113.77 1t3t s ARG 105 Ca -0.13 0.86 -0.02 0.00 -0.13 0.00 0.00 55.73 56.31 1t3t s ARG 105 Cb 0.05 0.28 -0.03 0.00 -1.56 0.00 0.00 34.95 33.69 1t3t s ARG 105 CO 0.84 -0.09 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.69 1t3t s LEU 106 N 0.59 3.30 0.08 -0.88 1.43 -1.26 -0.57 118.68 121.38 1t3t s LEU 106 Ca -0.01 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1t3t s LEU 106 Cb -0.05 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1t3t s LEU 106 CO -0.06 0.28 -0.07 -0.70 0.23 0.00 0.00 176.35 176.04 1t3t s GLU 107 N -0.33 0.76 0.03 1.70 2.56 0.16 -4.23 118.70 119.35 1t3t s GLU 107 Ca 0.06 -1.20 0.03 0.00 0.00 0.00 0.00 54.97 53.85 1t3t s GLU 107 Cb -0.12 -0.21 -0.02 0.00 2.00 0.00 0.00 34.13 35.78 1t3t s GLU 107 CO 0.02 -0.01 -0.10 0.50 -0.56 0.00 0.00 175.26 175.12 1t3t s ARG 108 N -3.34 0.66 0.31 4.30 3.52 -1.26 -0.33 118.95 122.81 1t3t s ARG 108 Ca 0.07 -0.62 0.04 0.00 -0.13 0.00 0.00 55.73 55.09 1t3t s ARG 108 Cb 0.02 -0.58 -0.03 0.00 -1.56 0.00 0.00 34.95 32.80 1t3t s ARG 108 CO -0.04 0.14 0.20 0.20 -0.81 0.00 0.00 175.30 174.98 1t3t s GLY 109 N -1.06 2.15 -0.15 8.12 0.00 -0.10 -4.57 107.32 111.70 1t3t s GLY 109 Ca -0.03 -1.80 0.01 0.00 0.00 0.00 0.00 44.72 42.90 1t3t s GLY 109 CO 0.01 -1.55 -0.17 0.14 0.00 0.00 0.00 173.10 171.53 1t3t s VAL 110 N -3.57 1.73 -0.37 1.40 1.01 -0.08 -1.17 120.40 119.35 1t3t s VAL 110 Ca 0.37 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.42 1t3t s VAL 110 Cb 0.04 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1t3t s VAL 110 CO 0.20 0.49 0.53 0.00 0.00 0.00 0.00 175.10 176.32 1t3t s ALA 111 N 1.32 3.45 -0.09 5.51 0.00 0.14 -1.25 121.76 130.84 1t3t s ALA 111 Ca 0.03 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 1t3t s ALA 111 Cb -0.13 -3.07 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 1t3t s ALA 111 CO -0.09 -1.35 0.27 0.71 0.00 0.00 0.00 175.76 175.29 1t3t s TYR 112 N 2.44 3.62 -0.29 0.00 2.02 -0.60 -1.07 117.35 123.47 1t3t s TYR 112 Ca 0.19 0.71 0.03 0.00 -0.37 0.00 0.00 57.07 57.63 1t3t s TYR 112 Cb -0.15 -2.15 0.07 0.00 -0.40 0.00 0.00 41.96 39.32 1t3t s TYR 112 CO 0.14 0.59 -0.05 0.71 -1.57 0.00 0.00 175.55 175.37 1t3t s TYR 113 N -0.72 3.41 -0.23 2.71 2.02 0.11 -1.05 117.35 123.60 1t3t s TYR 113 Ca 0.18 -2.48 -0.05 0.00 -0.37 0.00 0.00 57.07 54.35 1t3t s TYR 113 Cb -0.14 -2.23 -0.01 0.00 -0.40 0.00 0.00 41.96 39.18 1t3t s TYR 113 CO 0.07 -0.90 0.00 0.42 -1.57 0.00 0.00 175.55 173.58 1t3t s ILE 114 N 1.06 3.74 -0.43 2.71 1.01 -0.53 -1.26 121.20 127.50 1t3t s ILE 114 Ca -0.03 -0.38 -0.18 0.00 0.00 0.00 0.00 60.65 60.06 1t3t s ILE 114 Cb -0.20 -2.73 0.02 0.00 0.01 0.00 0.00 42.46 39.56 1t3t s ILE 114 CO -0.06 0.38 0.46 -1.61 0.00 0.00 0.00 174.94 174.11 1t3t s GLU 115 N 1.53 3.10 -0.41 2.79 2.02 -0.13 -1.30 118.70 126.30 1t3t s GLU 115 Ca 0.06 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.32 1t3t s GLU 115 Cb -0.15 -3.98 0.19 0.00 0.10 0.00 0.00 34.13 30.30 1t3t s GLU 115 CO -0.00 -0.88 0.78 0.00 0.02 0.00 0.00 175.26 175.17 1t3t s ALA 116 N 2.18 -2.91 -1.25 5.21 0.00 -1.26 -0.58 121.76 123.15 1t3t s ALA 116 Ca 0.13 0.30 -0.09 0.00 0.00 0.00 0.00 51.96 52.30 1t3t s ALA 116 Cb -0.17 -2.81 0.19 0.00 0.00 0.00 0.00 23.12 20.33 1t3t s ALA 116 CO 0.14 -2.31 1.82 -1.13 0.00 0.00 0.00 175.76 174.28 1t3t n SER 117 N 3.73 5.28 0.00 0.00 3.41 -1.26 -3.83 113.62 120.95 1t3t n SER 117 Ca 0.12 -3.16 0.00 0.00 -0.26 0.00 0.00 58.87 55.57 1t3t n SER 117 Cb 0.59 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 1t3t n SER 117 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1t3t n THR 118 N 3.04 0.00 -1.74 6.66 -1.04 -1.26 -5.13 114.28 114.80 1t3t n THR 118 Ca 0.38 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.97 1t3t n THR 118 Cb 0.36 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.86 1t3t n THR 118 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1t3t n LEU 119 N -0.53 4.18 0.00 -4.42 4.32 -1.25 -5.04 117.00 114.25 1t3t n LEU 119 Ca 0.00 1.18 0.00 0.00 -0.02 0.00 0.00 56.01 57.17 1t3t n LEU 119 Cb 0.00 -1.56 0.00 0.00 -1.62 0.00 0.00 43.42 40.24 1t3t n LEU 119 CO 0.00 -0.04 0.00 0.35 -1.22 0.00 0.00 177.39 176.48 1t3t n THR 120 N 1.30 0.00 -0.02 -5.08 -2.24 -1.26 -4.86 114.28 102.12 1t3t n THR 120 Ca 0.06 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.65 1t3t n THR 120 Cb 0.36 -0.28 -0.13 0.00 -2.10 0.00 0.00 70.33 68.18 1t3t n THR 120 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t3t h ALA 121 N -1.81 0.06 -0.22 6.98 0.00 -2.00 -3.24 119.26 119.04 1t3t h ALA 121 Ca 0.00 -0.82 -0.14 0.00 0.00 0.00 0.00 54.91 53.95 1t3t h ALA 121 Cb 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1t3t h ALA 121 CO 0.00 0.44 -0.44 0.93 0.00 0.00 0.00 179.25 180.18 1t3t h GLU 122 N -0.64 0.54 -0.64 0.00 5.08 -1.99 -2.93 114.58 114.00 1t3t h GLU 122 Ca -0.18 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 1t3t h GLU 122 Cb 1.43 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.66 1t3t h GLU 122 CO 0.02 0.88 0.28 1.96 -1.00 0.00 0.00 179.01 181.15 1t3t h GLN 123 N 0.44 0.92 0.00 2.33 4.20 -1.93 -0.83 115.11 120.23 1t3t h GLN 123 Ca 0.03 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 1t3t h GLN 123 Cb 0.95 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1t3t h GLN 123 CO 0.08 0.73 -0.40 -1.49 -0.67 0.00 0.00 178.83 177.08 1t3t h TRP 124 N 0.91 0.00 0.00 2.96 4.06 -1.55 -0.99 115.95 121.34 1t3t h TRP 124 Ca 0.22 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 61.04 1t3t h TRP 124 Cb 0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.27 1t3t h TRP 124 CO 0.01 0.40 -0.64 0.00 -3.56 0.00 0.00 178.44 174.65 1t3t h ARG 125 N 0.00 0.00 0.04 0.49 3.08 -1.16 -2.01 114.38 114.82 1t3t h ARG 125 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.81 1t3t h ARG 125 Cb 0.77 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 1t3t h ARG 125 CO 0.05 0.64 -1.01 1.96 -1.07 0.00 0.00 179.97 180.54 1t3t h GLN 126 N 0.00 0.32 -0.20 0.04 4.20 -0.63 -1.93 115.11 116.91 1t3t h GLN 126 Ca -0.01 -0.40 -0.04 0.00 0.06 0.00 0.00 58.65 58.26 1t3t h GLN 126 Cb 1.31 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.21 1t3t h GLN 126 CO 0.08 1.10 -0.05 0.28 -0.67 0.00 0.00 178.83 179.58 1t3t h VAL 127 N 0.16 1.29 -0.95 -0.54 2.07 -1.13 -2.48 116.25 114.66 1t3t h VAL 127 Ca -0.09 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.41 1t3t h VAL 127 Cb 1.67 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 32.95 1t3t h VAL 127 CO 0.17 0.31 0.63 0.00 0.02 0.00 0.00 177.57 178.70 1t3t h ALA 128 N 0.74 1.32 -0.31 1.67 0.00 -1.39 -1.79 119.26 119.50 1t3t h ALA 128 Ca 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1t3t h ALA 128 Cb 0.50 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1t3t h ALA 128 CO 0.02 0.63 0.09 0.00 0.00 0.00 0.00 179.25 179.99 1t3t h ALA 129 N 1.41 1.59 0.00 0.00 0.00 -1.19 -1.58 119.26 119.49 1t3t h ALA 129 Ca 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1t3t h ALA 129 Cb -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1t3t h ALA 129 CO -0.08 0.32 0.00 0.39 0.00 0.00 0.00 179.25 179.88 1t3t n GLU 130 N -4.38 0.27 -0.05 0.00 -0.58 -0.69 -3.59 120.64 111.61 1t3t n GLU 130 Ca 0.01 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.83 1t3t n GLU 130 Cb 0.16 -1.50 0.10 0.00 -0.57 0.00 0.00 31.44 29.62 1t3t n GLU 130 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1t3t n LEU 131 N -1.36 2.53 -3.66 -4.62 4.77 -0.60 -5.03 117.00 109.03 1t3t n LEU 131 Ca 0.12 -1.21 -0.11 0.00 -0.03 0.00 0.00 56.01 54.77 1t3t n LEU 131 Cb 0.28 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1t3t n LEU 131 CO 0.25 0.50 0.13 -1.38 -1.33 0.00 0.00 177.39 175.56 1t3t s HIS 132 N -1.25 -0.19 -0.39 -1.77 -3.43 -1.18 -4.96 115.29 102.11 1t3t s HIS 132 Ca 0.22 -0.04 -0.23 0.00 -0.80 0.00 0.00 55.06 54.21 1t3t s HIS 132 Cb 0.14 0.22 0.01 0.00 -1.43 0.00 0.00 32.58 31.52 1t3t s HIS 132 CO 0.20 -0.64 0.76 0.34 -2.00 0.00 0.00 174.74 173.40 1t3t s ASP 133 N -2.54 6.49 0.58 7.38 -1.08 -1.26 -4.89 116.67 121.35 1t3t s ASP 133 Ca 0.00 0.18 0.31 0.00 -0.52 0.00 0.00 52.55 52.52 1t3t s ASP 133 Cb 0.01 -2.38 1.77 0.00 -1.46 0.00 0.00 42.92 40.86 1t3t s ASP 133 CO -0.09 -0.77 2.20 0.08 0.52 0.00 0.00 175.17 177.12 1t3t h ARG 134 N 8.63 0.00 0.00 4.34 0.11 -1.91 0.33 114.38 125.88 1t3t h ARG 134 Ca -0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.83 1t3t h ARG 134 Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.17 1t3t h ARG 134 CO 0.91 0.04 -0.45 0.52 0.10 0.00 0.00 179.97 181.10 1t3t h MET 135 N 0.00 0.00 0.00 0.08 2.86 -1.95 -3.40 114.93 112.52 1t3t h MET 135 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1t3t h MET 135 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1t3t h MET 135 CO 0.01 0.00 -0.81 -1.33 1.06 0.00 0.00 176.91 175.84 1t3t n MET 136 N -2.83 1.76 -4.54 1.72 2.81 -0.89 -4.94 117.12 110.21 1t3t n MET 136 Ca 0.02 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.66 1t3t n MET 136 Cb 0.53 -0.91 -0.10 0.00 -0.71 0.00 0.00 33.22 32.03 1t3t n MET 136 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1t3t s GLU 137 N -1.68 1.84 0.05 0.03 2.02 0.11 -1.66 118.70 119.41 1t3t s GLU 137 Ca 0.00 -2.06 -0.00 0.00 0.02 0.00 0.00 54.97 52.93 1t3t s GLU 137 Cb 0.00 -1.13 -0.04 0.00 0.10 0.00 0.00 34.13 33.07 1t3t s GLU 137 CO 0.00 -0.21 -0.04 -0.08 0.02 0.00 0.00 175.26 174.96 1t3t s THR 138 N -3.07 0.28 -0.15 3.63 -1.32 -0.32 -4.55 115.64 110.14 1t3t s THR 138 Ca 0.31 -1.67 -0.02 0.00 -1.21 0.00 0.00 61.69 59.10 1t3t s THR 138 Cb 0.07 -1.33 -0.02 0.00 -1.51 0.00 0.00 72.50 69.72 1t3t s THR 138 CO 0.15 -0.89 -0.09 -0.69 -2.21 0.00 0.00 174.62 170.88 1t3t s VAL 139 N -3.44 3.32 0.20 5.08 1.01 -1.26 -1.80 120.40 123.51 1t3t s VAL 139 Ca 0.04 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.55 1t3t s VAL 139 Cb 0.04 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1t3t s VAL 139 CO -0.08 0.50 -0.09 -0.36 0.00 0.00 0.00 175.10 175.08 1t3t s PHE 140 N 0.50 2.63 -0.94 5.22 0.08 0.19 -4.94 117.98 120.73 1t3t s PHE 140 Ca -0.07 -0.23 0.23 0.00 0.12 0.00 0.00 56.93 56.99 1t3t s PHE 140 Cb -0.15 -1.26 0.20 0.00 -0.57 0.00 0.00 43.02 41.24 1t3t s PHE 140 CO 0.04 0.54 1.19 0.43 -0.10 0.00 0.00 175.22 177.32 1t3t n SER 141 N -0.13 0.68 -3.92 1.36 7.64 -1.26 -0.71 113.62 117.28 1t3t n SER 141 Ca -0.10 -0.48 -0.10 0.00 1.01 0.00 0.00 58.87 59.20 1t3t n SER 141 Cb 0.56 0.57 -0.10 0.00 -1.01 0.00 0.00 64.21 64.23 1t3t n SER 141 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1t3t s SER 142 N -3.14 0.13 0.37 6.43 0.01 -1.26 -4.85 113.70 111.39 1t3t s SER 142 Ca 0.09 -0.40 0.13 0.00 1.31 0.00 0.00 55.95 57.07 1t3t s SER 142 Cb 0.17 0.20 0.71 0.00 0.21 0.00 0.00 66.02 67.30 1t3t s SER 142 CO 0.77 -0.42 1.82 -0.07 0.41 0.00 0.00 173.24 175.75 1t3t h LEU 143 N 4.06 0.00 -1.96 2.44 3.38 -2.00 -2.45 115.31 118.79 1t3t h LEU 143 Ca -0.32 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1t3t h LEU 143 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1t3t h LEU 143 CO 0.45 0.38 -0.10 0.00 0.09 0.00 0.00 178.44 179.26 1t3t h THR 144 N 0.00 0.47 0.00 0.22 1.03 -2.02 -2.07 112.91 110.55 1t3t h THR 144 Ca -0.00 -0.49 0.00 0.00 -0.01 0.00 0.00 66.41 65.91 1t3t h THR 144 Cb 0.68 1.33 0.00 0.00 -1.07 0.00 0.00 68.15 69.09 1t3t h THR 144 CO 0.05 0.10 0.00 0.47 -0.01 0.00 0.00 175.52 176.13 1t3t n ASP 145 N -3.55 0.23 0.12 0.00 8.00 -0.92 -2.14 116.55 118.28 1t3t n ASP 145 Ca -0.02 0.57 0.11 0.00 0.71 0.00 0.00 54.79 56.16 1t3t n ASP 145 Cb 0.23 -0.61 0.47 0.00 -0.02 0.00 0.00 41.12 41.19 1t3t n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t3t n ALA 146 N -1.60 1.48 0.24 2.24 0.00 -0.78 -2.39 120.51 119.69 1t3t n ALA 146 Ca 0.02 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1t3t n ALA 146 Cb 0.13 -1.34 0.74 0.00 0.00 0.00 0.00 19.45 18.98 1t3t n ALA 146 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1t3t h GLU 147 N 0.00 0.00 0.00 0.00 5.08 -1.67 -1.52 114.58 116.47 1t3t h GLU 147 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1t3t h GLU 147 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1t3t h GLU 147 CO 0.00 0.00 -0.09 0.87 -1.00 0.00 0.00 179.01 178.79 1t3t h LYS 148 N 0.00 0.00 0.00 2.33 1.57 -1.74 -2.33 116.57 116.40 1t3t h LYS 148 Ca 0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1t3t h LYS 148 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1t3t h LYS 148 CO -0.00 0.09 -0.01 -0.07 -0.57 0.00 0.00 179.45 178.88 1t3t h LEU 149 N 0.00 0.00 -3.16 2.94 3.38 -1.50 -3.21 115.31 113.76 1t3t h LEU 149 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1t3t h LEU 149 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1t3t h LEU 149 CO 0.01 0.01 0.00 0.49 0.09 0.00 0.00 178.44 179.04 1t3t n PHE 150 N -3.11 0.94 -1.83 1.13 3.72 -0.88 -4.63 117.46 112.80 1t3t n PHE 150 Ca 0.00 -0.74 -0.42 0.00 -0.05 0.00 0.00 57.45 56.25 1t3t n PHE 150 Cb 0.29 -0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 38.56 1t3t n PHE 150 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1t3t s ILE 151 N -2.21 2.63 -0.44 4.37 1.01 -1.21 -4.96 121.20 120.37 1t3t s ILE 151 Ca 0.39 0.26 -0.18 0.00 0.00 0.00 0.00 60.65 61.12 1t3t s ILE 151 Cb 0.28 -3.17 0.03 0.00 0.01 0.00 0.00 42.46 39.62 1t3t s ILE 151 CO 0.13 0.01 0.49 -1.00 0.00 0.00 0.00 174.94 174.56 1t3t s HIS 152 N 2.12 3.14 0.24 3.97 3.76 -1.26 -5.04 115.29 122.22 1t3t s HIS 152 Ca 0.75 -0.44 -0.11 0.00 -0.15 0.00 0.00 55.06 55.11 1t3t s HIS 152 Cb -0.44 -3.09 -0.08 0.00 1.11 0.00 0.00 32.58 30.09 1t3t s HIS 152 CO 0.33 -0.79 0.59 -1.01 -0.85 0.00 0.00 174.74 173.01 1t3t s HIS 153 N 2.24 3.44 0.35 1.40 3.76 -1.26 -5.02 115.29 120.20 1t3t s HIS 153 Ca 0.13 0.97 -0.26 0.00 -0.15 0.00 0.00 55.06 55.75 1t3t s HIS 153 Cb -0.18 -2.33 -0.10 0.00 1.11 0.00 0.00 32.58 31.08 1t3t s HIS 153 CO 0.13 0.26 1.00 -0.65 -0.85 0.00 0.00 174.74 174.62 1t3t s GLN 154 N -2.73 4.44 -0.17 1.40 -1.52 -1.26 -2.64 119.66 117.18 1t3t s GLN 154 Ca 0.47 1.44 -0.36 0.00 -1.95 0.00 0.00 55.36 54.97 1t3t s GLN 154 Cb -0.12 -2.75 -0.13 0.00 -0.22 0.00 0.00 33.01 29.80 1t3t s GLN 154 CO 0.20 0.12 1.89 -2.30 -0.25 0.00 0.00 175.29 174.96 1t3t n PRO 155 N 0.40 1.78 -2.41 2.91 -0.02 -1.14 -4.33 135.00 132.19 1t3t n PRO 155 Ca 0.03 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.73 1t3t n PRO 155 Cb 0.49 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 1t3t n PRO 155 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t3t s ALA 156 N 4.44 3.42 0.83 3.55 0.00 -1.13 -5.01 121.76 127.85 1t3t s ALA 156 Ca 0.96 0.91 -0.12 0.00 0.00 0.00 0.00 51.96 53.72 1t3t s ALA 156 Cb -0.80 -3.41 0.09 0.00 0.00 0.00 0.00 23.12 19.00 1t3t s ALA 156 CO 0.55 -0.35 1.10 -1.25 0.00 0.00 0.00 175.76 175.81 1t3t s PRO 157 N -0.01 1.82 0.58 0.00 0.04 -1.26 -4.12 135.00 132.06 1t3t s PRO 157 Ca 0.53 0.61 -0.16 0.00 0.04 0.00 0.00 61.00 62.02 1t3t s PRO 157 Cb -0.31 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1t3t s PRO 157 CO 0.35 -1.80 1.06 0.54 0.04 0.00 0.00 177.00 177.19 1t3t s VAL 158 N -3.14 3.75 -0.07 -0.36 0.11 -1.26 -4.70 120.40 114.72 1t3t s VAL 158 Ca 0.62 0.87 0.04 0.00 -2.93 0.00 0.00 61.98 60.57 1t3t s VAL 158 Cb -0.15 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.33 1t3t s VAL 158 CO 0.54 -0.45 -0.18 -0.55 -3.33 0.00 0.00 175.10 171.13 1t3t s SER 159 N -2.64 2.41 0.16 3.54 0.15 -1.26 -5.04 113.70 111.02 1t3t s SER 159 Ca 0.65 -0.42 -0.04 0.00 0.70 0.00 0.00 55.95 56.84 1t3t s SER 159 Cb -0.17 -0.95 -0.05 0.00 -1.71 0.00 0.00 66.02 63.15 1t3t s SER 159 CO 0.35 0.13 0.39 -0.94 1.20 0.00 0.00 173.24 174.36 1t3t s SER 160 N 0.31 6.47 -0.33 5.45 1.04 -1.26 0.18 113.70 125.56 1t3t s SER 160 Ca -0.12 0.56 -0.12 0.00 0.48 0.00 0.00 55.95 56.75 1t3t s SER 160 Cb -0.15 -2.08 -0.02 0.00 0.10 0.00 0.00 66.02 63.87 1t3t s SER 160 CO 0.05 0.02 0.21 -0.69 0.98 0.00 0.00 173.24 173.82 1t3t s VAL 161 N -1.72 5.10 -0.62 5.02 1.01 -0.09 -4.85 120.40 124.25 1t3t s VAL 161 Ca 0.41 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.95 1t3t s VAL 161 Cb -0.12 -3.60 -0.16 0.00 0.00 0.00 0.00 36.38 32.50 1t3t s VAL 161 CO 0.26 0.03 1.84 -0.67 0.00 0.00 0.00 175.10 176.55 1t3t n ASP 162 N 5.07 2.59 -0.12 3.32 2.03 -1.26 -3.87 116.55 124.31 1t3t n ASP 162 Ca -0.13 -2.52 -0.12 0.00 0.52 0.00 0.00 54.79 52.54 1t3t n ASP 162 Cb 0.50 -0.97 -0.03 0.00 -0.72 0.00 0.00 41.12 39.90 1t3t n ASP 162 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1t3t h LEU 163 N 13.02 0.76 -1.32 -2.67 5.85 -1.93 -1.46 115.31 127.56 1t3t h LEU 163 Ca 0.38 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1t3t h LEU 163 Cb 0.52 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1t3t h LEU 163 CO 1.80 1.00 -0.30 -0.07 -0.34 0.00 0.00 178.44 180.53 1t3t h LEU 164 N 0.53 0.00 0.00 2.25 3.38 -1.87 0.08 115.31 119.68 1t3t h LEU 164 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1t3t h LEU 164 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1t3t h LEU 164 CO 0.05 0.30 -1.44 0.61 0.09 0.00 0.00 178.44 178.05 1t3t n GLY 165 N -0.25 -1.07 0.00 0.83 0.00 -1.17 -4.60 105.19 98.93 1t3t n GLY 165 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1t3t n GLY 165 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t3t n GLU 166 N -1.99 4.06 0.00 1.61 1.02 -0.56 -5.13 120.64 119.65 1t3t n GLU 166 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1t3t n GLU 166 Cb 0.47 -0.35 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 1t3t n GLU 166 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t3t n GLY 167 N 0.70 -1.80 0.44 0.62 0.00 0.01 -4.12 105.19 101.04 1t3t n GLY 167 Ca 0.00 -1.49 0.25 0.00 0.00 0.00 0.00 46.02 44.79 1t3t n GLY 167 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1t3t h ARG 168 N 0.00 0.00 -0.50 1.61 2.43 -1.94 -1.35 114.38 114.64 1t3t h ARG 168 Ca 0.00 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.30 1t3t h ARG 168 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1t3t h ARG 168 CO 0.00 0.00 0.35 1.96 -1.51 0.00 0.00 179.97 180.77 1t3t h GLN 169 N 0.00 0.08 -0.37 0.20 1.08 -1.95 -0.55 115.11 113.60 1t3t h GLN 169 Ca 0.34 -0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.45 1t3t h GLN 169 Cb 1.50 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.90 1t3t h GLN 169 CO -0.00 0.05 -0.12 0.00 -0.95 0.00 0.00 178.83 177.81 1t3t h ALA 170 N 1.75 1.10 0.01 3.87 0.00 -1.47 0.17 119.26 124.68 1t3t h ALA 170 Ca 0.24 -0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 1t3t h ALA 170 Cb 0.83 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1t3t h ALA 170 CO -0.02 0.56 -0.90 -0.07 0.00 0.00 0.00 179.25 178.81 1t3t h LEU 171 N 0.60 0.26 -0.35 0.00 3.38 -1.30 -1.94 115.31 115.96 1t3t h LEU 171 Ca 0.10 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1t3t h LEU 171 Cb 0.55 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1t3t h LEU 171 CO 0.03 1.03 -0.13 0.40 0.09 0.00 0.00 178.44 179.87 1t3t h ILE 172 N 0.10 1.28 -0.41 1.22 2.04 -1.05 -0.16 117.51 120.54 1t3t h ILE 172 Ca -0.05 -1.22 -0.05 0.00 1.00 0.00 0.00 64.86 64.54 1t3t h ILE 172 Cb 1.54 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 1t3t h ILE 172 CO 0.14 0.40 0.06 0.44 0.00 0.00 0.00 178.15 179.19 1t3t h ASP 173 N 0.49 0.66 -0.34 1.72 3.45 -0.97 -2.52 116.42 118.90 1t3t h ASP 173 Ca 0.08 -0.26 -0.07 0.00 0.43 0.00 0.00 57.03 57.21 1t3t h ASP 173 Cb 0.65 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.23 1t3t h ASP 173 CO 0.04 0.75 -0.03 0.00 -1.57 0.00 0.00 179.24 178.43 1t3t h ALA 174 N 0.93 1.13 -0.76 3.45 0.00 -1.28 0.15 119.26 122.87 1t3t h ALA 174 Ca 0.12 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1t3t h ALA 174 Cb 0.38 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1t3t h ALA 174 CO 0.01 0.56 0.47 -0.97 0.00 0.00 0.00 179.25 179.31 1t3t h ASN 175 N 0.68 0.90 0.05 0.00 -0.00 -0.78 0.28 115.58 116.71 1t3t h ASN 175 Ca 0.13 -0.06 -0.15 0.00 -0.00 0.00 0.00 56.30 56.22 1t3t h ASN 175 Cb 0.47 -0.23 0.01 0.00 -0.00 0.00 0.00 38.32 38.57 1t3t h ASN 175 CO 0.02 0.69 -0.62 0.25 -0.00 0.00 0.00 177.43 177.77 1t3t h LEU 176 N 1.03 0.47 -0.08 0.34 5.85 -1.18 -1.06 115.31 120.68 1t3t h LEU 176 Ca 0.27 -0.83 -0.00 0.00 0.84 0.00 0.00 57.88 58.16 1t3t h LEU 176 Cb -0.05 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 1t3t h LEU 176 CO -0.05 1.25 0.04 0.03 -0.34 0.00 0.00 178.44 179.36 1t3t h ARG 177 N -0.25 0.12 -0.01 1.25 -0.00 -0.57 -3.10 114.38 111.81 1t3t h ARG 177 Ca -0.09 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.37 1t3t h ARG 177 Cb 1.39 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 31.34 1t3t h ARG 177 CO 0.12 0.19 -0.20 1.28 0.00 0.00 0.00 179.97 181.37 1t3t n LEU 178 N -4.97 0.87 -2.96 3.04 4.77 0.08 -4.96 117.00 112.86 1t3t n LEU 178 Ca -0.06 -0.19 -0.14 0.00 -0.03 0.00 0.00 56.01 55.60 1t3t n LEU 178 Cb 0.09 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.11 1t3t n LEU 178 CO 0.34 0.16 0.09 0.61 -1.33 0.00 0.00 177.39 177.25 1t3t n GLY 179 N 1.31 -0.24 0.19 -0.72 0.00 -1.00 -4.94 105.19 99.80 1t3t n GLY 179 Ca 0.13 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.25 1t3t n GLY 179 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1t3t h LEU 180 N -1.50 0.00 -0.53 0.99 3.38 -1.44 -3.48 115.31 112.74 1t3t h LEU 180 Ca -0.48 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.05 1t3t h LEU 180 Cb 1.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 1t3t h LEU 180 CO 0.40 0.24 -0.70 0.00 0.09 0.00 0.00 178.44 178.47 1t3t n ALA 181 N -2.18 -1.22 -2.11 1.53 0.00 -1.26 -4.82 120.51 110.45 1t3t n ALA 181 Ca 0.02 0.23 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 1t3t n ALA 181 Cb 0.57 -4.39 -0.05 0.00 0.00 0.00 0.00 19.45 15.58 1t3t n ALA 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1t3t s LEU 182 N -7.13 4.54 0.74 0.00 1.43 -1.26 -5.03 118.68 111.97 1t3t s LEU 182 Ca 0.58 1.85 -0.11 0.00 -1.03 0.00 0.00 54.13 55.41 1t3t s LEU 182 Cb -0.29 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.37 1t3t s LEU 182 CO 0.72 -0.01 1.10 0.00 0.23 0.00 0.00 176.35 178.39 1t3t s ALA 183 N -0.35 2.67 0.25 4.21 0.00 -1.26 -4.84 121.76 122.44 1t3t s ALA 183 Ca 0.45 -0.29 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 1t3t s ALA 183 Cb -0.24 -3.06 0.36 0.00 0.00 0.00 0.00 23.12 20.18 1t3t s ALA 183 CO 0.31 -1.34 1.86 0.93 0.00 0.00 0.00 175.76 177.51 1t3t h GLU 184 N -0.81 1.00 0.00 0.00 4.39 -1.99 -1.03 114.58 116.14 1t3t h GLU 184 Ca -0.46 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.14 1t3t h GLU 184 Cb 1.26 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 1t3t h GLU 184 CO 0.62 0.66 -0.19 0.38 -1.16 0.00 0.00 179.01 179.33 1t3t h ASP 185 N 1.03 0.00 0.32 1.42 2.03 -1.99 -1.46 116.42 117.78 1t3t h ASP 185 Ca 0.39 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 56.38 1t3t h ASP 185 Cb 0.18 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 38.70 1t3t h ASP 185 CO -0.18 0.19 -1.37 -0.33 -1.03 0.00 0.00 179.24 176.52 1t3t h GLU 186 N 0.00 0.50 -0.68 4.15 5.08 -1.66 -1.94 114.58 120.03 1t3t h GLU 186 Ca -0.00 -0.80 -0.05 0.00 -1.00 0.00 0.00 59.36 57.51 1t3t h GLU 186 Cb 0.67 0.29 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1t3t h GLU 186 CO 0.02 1.38 0.25 0.82 -1.00 0.00 0.00 179.01 180.48 1t3t h ILE 187 N 0.16 1.25 -0.74 3.13 2.04 -0.98 -1.03 117.51 121.34 1t3t h ILE 187 Ca -0.21 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 64.85 1t3t h ILE 187 Cb 2.06 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 1t3t h ILE 187 CO 0.25 0.32 0.49 0.44 0.00 0.00 0.00 178.15 179.65 1t3t h ASP 188 N 0.97 0.84 -0.21 1.72 3.32 -1.27 0.22 116.42 122.01 1t3t h ASP 188 Ca 0.22 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1t3t h ASP 188 Cb 0.25 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1t3t h ASP 188 CO -0.01 0.61 0.10 0.22 -1.72 0.00 0.00 179.24 178.43 1t3t h TYR 189 N 1.00 0.31 -0.37 4.55 3.20 -0.83 -2.08 116.97 122.76 1t3t h TYR 189 Ca 0.27 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 1t3t h TYR 189 Cb -0.11 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 1t3t h TYR 189 CO -0.02 0.33 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.61 1t3t h LEU 190 N 0.21 0.65 0.04 2.82 3.38 -0.90 -1.23 115.31 120.29 1t3t h LEU 190 Ca 0.07 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1t3t h LEU 190 Cb 0.14 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1t3t h LEU 190 CO -0.01 0.82 -0.02 -0.61 0.09 0.00 0.00 178.44 178.71 1t3t h GLN 191 N 0.60 -0.06 -0.59 1.13 4.15 -0.81 -2.16 115.11 117.36 1t3t h GLN 191 Ca 0.10 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.46 1t3t h GLN 191 Cb 0.60 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.28 1t3t h GLN 191 CO 0.04 0.07 0.12 1.49 -1.93 0.00 0.00 178.83 178.62 1t3t h GLU 192 N -0.17 0.97 -0.30 1.69 4.81 -1.31 -1.54 114.58 118.73 1t3t h GLU 192 Ca -0.01 -0.25 0.04 0.00 -0.13 0.00 0.00 59.36 59.02 1t3t h GLU 192 Cb 0.15 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1t3t h GLU 192 CO 0.01 0.90 0.08 0.00 -0.73 0.00 0.00 179.01 179.27 1t3t h ALA 193 N 1.02 0.32 0.00 2.92 0.00 -1.11 -0.36 119.26 122.06 1t3t h ALA 193 Ca 0.18 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 1t3t h ALA 193 Cb 0.38 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1t3t h ALA 193 CO 0.01 -0.33 -0.73 0.74 0.00 0.00 0.00 179.25 178.94 1t3t h PHE 194 N 0.20 0.00 -0.50 0.00 0.04 -1.37 -2.15 116.94 113.16 1t3t h PHE 194 Ca 0.13 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.80 1t3t h PHE 194 Cb 0.12 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 1t3t h PHE 194 CO -0.15 0.73 -0.10 1.15 -0.60 0.00 0.00 178.31 179.33 1t3t h THR 195 N 0.00 1.26 -0.47 -1.55 2.02 -1.04 0.13 112.91 113.26 1t3t h THR 195 Ca -0.01 -1.22 -0.08 0.00 0.77 0.00 0.00 66.41 65.87 1t3t h THR 195 Cb 1.53 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.91 1t3t h THR 195 CO 0.09 0.43 -0.03 0.50 0.37 0.00 0.00 175.52 176.88 1t3t h LYS 196 N 0.83 0.86 0.00 6.66 3.64 -1.01 -2.06 116.57 125.49 1t3t h LYS 196 Ca 0.13 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1t3t h LYS 196 Cb 0.63 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1t3t h LYS 196 CO 0.04 0.92 0.00 -0.07 -2.27 0.00 0.00 179.45 178.08 1t3t h LEU 197 N 0.71 0.00 -0.09 5.20 3.38 -1.05 -3.47 115.31 119.99 1t3t h LEU 197 Ca 0.13 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.85 1t3t h LEU 197 Cb 0.56 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.36 1t3t h LEU 197 CO 0.03 0.00 -0.39 0.61 0.09 0.00 0.00 178.44 178.78 1t3t n GLY 198 N 0.26 -0.02 3.37 0.83 0.00 0.43 -5.02 105.19 105.04 1t3t n GLY 198 Ca 0.02 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 1t3t n GLY 198 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t3t s ARG 199 N -5.45 1.10 0.32 1.61 1.70 -1.06 -5.05 118.95 112.11 1t3t s ARG 199 Ca 0.25 -0.43 -0.28 0.00 -0.47 0.00 0.00 55.73 54.79 1t3t s ARG 199 Cb -0.11 0.50 -0.10 0.00 -0.57 0.00 0.00 34.95 34.67 1t3t s ARG 199 CO 0.31 -0.43 1.20 -0.80 -1.08 0.00 0.00 175.30 174.50 1t3t s ASN 200 N -2.40 6.95 0.35 -2.89 0.01 -1.26 -4.67 114.94 111.04 1t3t s ASN 200 Ca -0.01 2.45 -0.25 0.00 -0.71 0.00 0.00 52.86 54.34 1t3t s ASN 200 Cb 0.00 -2.63 -0.10 0.00 0.41 0.00 0.00 41.25 38.93 1t3t s ASN 200 CO -0.07 -0.38 0.96 -2.16 -1.51 0.00 0.00 177.10 173.93 1t3t s PRO 201 N -1.72 4.47 0.38 -0.60 0.04 -1.25 -4.86 135.00 131.45 1t3t s PRO 201 Ca 0.48 1.32 -0.10 0.00 0.04 0.00 0.00 61.00 62.74 1t3t s PRO 201 Cb -0.35 -2.66 -0.07 0.00 0.04 0.00 0.00 34.50 31.47 1t3t s PRO 201 CO 0.46 0.17 0.73 -0.80 0.04 0.00 0.00 177.00 177.60 1t3t s ASN 202 N -1.71 6.54 0.30 6.66 0.01 -1.26 -0.91 114.94 124.57 1t3t s ASN 202 Ca 0.53 1.09 0.04 0.00 -0.71 0.00 0.00 52.86 53.81 1t3t s ASN 202 Cb -0.17 -2.30 0.65 0.00 0.41 0.00 0.00 41.25 39.83 1t3t s ASN 202 CO 0.22 -0.34 1.83 -2.24 -1.51 0.00 0.00 177.10 175.06 1t3t h ASP 203 N 1.45 0.85 -0.86 -1.22 3.04 -0.59 -1.16 116.42 117.92 1t3t h ASP 203 Ca -0.47 0.06 -0.01 0.00 -3.24 0.00 0.00 57.03 53.36 1t3t h ASP 203 Cb 1.19 -0.11 -0.04 0.00 -1.04 0.00 0.00 39.33 39.32 1t3t h ASP 203 CO 0.64 0.42 0.49 -0.29 -2.04 0.00 0.00 179.24 178.46 1t3t h ILE 204 N 0.89 1.25 -0.47 4.15 2.10 -1.89 0.06 117.51 123.61 1t3t h ILE 204 Ca 0.51 -0.59 -0.09 0.00 1.08 0.00 0.00 64.86 65.77 1t3t h ILE 204 Cb 0.62 0.06 -0.02 0.00 -1.09 0.00 0.00 36.82 36.40 1t3t h ILE 204 CO -0.28 0.27 -0.07 -0.33 -1.08 0.00 0.00 178.15 176.67 1t3t h GLU 205 N 1.20 0.87 -0.44 2.19 5.08 -1.48 -0.89 114.58 121.11 1t3t h GLU 205 Ca 0.31 -0.31 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1t3t h GLU 205 Cb -0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1t3t h GLU 205 CO -0.05 0.95 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.65 1t3t h LEU 206 N 0.71 0.93 -0.36 1.33 4.07 -1.01 -2.39 115.31 118.60 1t3t h LEU 206 Ca 0.12 -0.39 -0.03 0.00 0.08 0.00 0.00 57.88 57.66 1t3t h LEU 206 Cb 0.60 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 1t3t h LEU 206 CO 0.04 1.11 0.10 0.22 -1.08 0.00 0.00 178.44 178.83 1t3t h TYR 207 N 0.74 0.58 -0.39 1.13 3.20 -0.89 -0.71 116.97 120.62 1t3t h TYR 207 Ca 0.10 -0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.94 1t3t h TYR 207 Cb 0.75 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 1t3t h TYR 207 CO 0.05 0.57 0.17 1.98 -1.64 0.00 0.00 178.16 179.30 1t3t h MET 208 N 0.42 0.34 -0.34 1.82 4.05 -1.12 -1.41 114.93 118.69 1t3t h MET 208 Ca 0.11 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 1t3t h MET 208 Cb 0.27 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 1t3t h MET 208 CO -0.00 0.23 0.16 0.35 0.23 0.00 0.00 176.91 177.87 1t3t h PHE 209 N 0.35 0.50 -0.73 1.39 3.57 -1.25 -1.83 116.94 118.94 1t3t h PHE 209 Ca 0.17 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1t3t h PHE 209 Cb 0.11 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 1t3t h PHE 209 CO -0.12 0.44 0.47 0.00 -2.23 0.00 0.00 178.31 176.87 1t3t h ALA 210 N 1.01 0.93 -0.34 2.41 0.00 -0.79 -0.18 119.26 122.30 1t3t h ALA 210 Ca 0.12 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1t3t h ALA 210 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1t3t h ALA 210 CO -0.01 0.30 -0.15 1.96 0.00 0.00 0.00 179.25 181.35 1t3t h GLN 211 N 0.95 0.70 -0.07 0.00 1.08 -1.16 -2.30 115.11 114.31 1t3t h GLN 211 Ca 0.28 -0.30 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1t3t h GLN 211 Cb -0.06 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1t3t h GLN 211 CO -0.08 0.90 -0.10 0.00 -0.95 0.00 0.00 178.83 178.60 1t3t h ALA 212 N 0.78 1.71 -0.68 3.87 0.00 -1.01 -2.58 119.26 121.35 1t3t h ALA 212 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1t3t h ALA 212 Cb 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1t3t h ALA 212 CO 0.05 0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.60 1t3t n ASN 213 N -4.37 4.63 -4.79 0.00 3.02 -0.11 -3.66 115.26 109.98 1t3t n ASN 213 Ca -0.02 -2.34 -0.31 0.00 -0.03 0.00 0.00 54.58 51.89 1t3t n ASN 213 Cb 0.20 -0.57 0.08 0.00 -0.61 0.00 0.00 39.78 38.89 1t3t n ASN 213 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1t3t s SER 214 N -0.92 4.68 0.27 6.41 1.04 -0.88 -4.74 113.70 119.57 1t3t s SER 214 Ca 0.52 1.56 -0.03 0.00 0.48 0.00 0.00 55.95 58.47 1t3t s SER 214 Cb 0.32 -2.33 0.36 0.00 0.10 0.00 0.00 66.02 64.46 1t3t s SER 214 CO 0.27 -1.88 1.89 -0.08 0.98 0.00 0.00 173.24 174.42 1t3t h GLU 215 N -1.03 1.07 -0.93 4.02 4.57 -1.91 0.99 114.58 121.37 1t3t h GLU 215 Ca -0.45 -0.12 0.03 0.00 -1.18 0.00 0.00 59.36 57.64 1t3t h GLU 215 Cb 1.24 -0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 29.57 1t3t h GLU 215 CO 0.56 0.79 0.60 1.25 -1.18 0.00 0.00 179.01 181.03 1t3t h HIS 216 N 1.07 1.13 0.08 0.92 2.76 -1.92 -1.39 115.15 117.81 1t3t h HIS 216 Ca 0.27 0.03 -0.36 0.00 -2.20 0.00 0.00 60.37 58.11 1t3t h HIS 216 Cb 0.04 -0.38 -0.03 0.00 1.55 0.00 0.00 27.41 28.59 1t3t h HIS 216 CO 0.01 0.66 -2.06 0.00 -1.30 0.00 0.00 177.93 175.23 1t3t h ARG 218 N 0.05 0.00 -5.91 0.00 2.43 -0.88 -3.49 114.38 106.58 1t3t h ARG 218 Ca -0.44 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.36 1t3t h ARG 218 Cb 2.02 0.00 0.11 0.00 -0.42 0.00 0.00 29.97 31.68 1t3t h ARG 218 CO 0.05 0.04 -0.85 0.72 -1.51 0.00 0.00 179.97 178.43 1t3t n HIS 219 N -2.76 -2.07 -0.31 2.20 8.25 -0.52 -4.91 115.22 115.10 1t3t n HIS 219 Ca -0.01 0.79 -0.04 0.00 -0.26 0.00 0.00 57.72 58.20 1t3t n HIS 219 Cb 0.58 -4.28 0.08 0.00 1.12 0.00 0.00 29.99 27.50 1t3t n HIS 219 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1t3t h LYS 220 N -1.71 1.14 -0.54 -0.41 1.57 -1.87 -2.77 116.57 111.98 1t3t h LYS 220 Ca -0.62 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.06 1t3t h LYS 220 Cb 1.35 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 1t3t h LYS 220 CO 0.51 0.80 0.33 0.82 -0.57 0.00 0.00 179.45 181.34 1t3t h ILE 221 N 1.16 1.16 0.00 1.86 1.08 -1.91 -1.10 117.51 119.76 1t3t h ILE 221 Ca 0.30 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 1t3t h ILE 221 Cb -0.05 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 34.12 1t3t h ILE 221 CO -0.06 0.16 0.00 0.49 -0.69 0.00 0.00 178.15 178.05 1t3t n PHE 222 N -4.67 0.34 0.12 1.37 3.01 -1.09 -2.86 117.46 113.68 1t3t n PHE 222 Ca 0.03 0.13 0.03 0.00 1.01 0.00 0.00 57.45 58.64 1t3t n PHE 222 Cb 0.05 -0.71 0.04 0.00 -0.01 0.00 0.00 39.48 38.85 1t3t n PHE 222 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1t3t n ASN 223 N -1.81 1.75 -4.82 4.37 3.02 -0.95 -1.12 115.26 115.70 1t3t n ASN 223 Ca 0.04 -1.47 -0.31 0.00 -0.03 0.00 0.00 54.58 52.81 1t3t n ASN 223 Cb 0.23 -0.03 0.04 0.00 -0.61 0.00 0.00 39.78 39.40 1t3t n ASN 223 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1t3t s ALA 224 N -0.61 2.73 0.32 5.41 0.00 -0.46 -4.80 121.76 124.35 1t3t s ALA 224 Ca 0.08 0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.06 1t3t s ALA 224 Cb 0.05 -3.18 -0.07 0.00 0.00 0.00 0.00 23.12 19.92 1t3t s ALA 224 CO 0.07 -1.08 0.68 -0.51 0.00 0.00 0.00 175.76 174.92 1t3t s ASP 225 N -3.62 6.62 0.12 0.00 1.01 0.15 -4.39 116.67 116.56 1t3t s ASP 225 Ca 0.59 1.09 0.07 0.00 0.71 0.00 0.00 52.55 55.01 1t3t s ASP 225 Cb -0.14 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 1t3t s ASP 225 CO 0.51 -0.24 -0.18 0.26 0.21 0.00 0.00 175.17 175.74 1t3t s TRP 226 N -2.08 1.63 -0.22 4.23 0.52 -1.26 -1.06 118.94 120.69 1t3t s TRP 226 Ca 0.51 -0.47 -0.03 0.00 0.02 0.00 0.00 56.10 56.13 1t3t s TRP 226 Cb -0.10 -0.86 0.07 0.00 -1.15 0.00 0.00 33.47 31.42 1t3t s TRP 226 CO 0.24 0.20 0.06 0.42 0.02 0.00 0.00 176.95 177.89 1t3t s ILE 227 N -1.64 0.44 -0.20 2.03 1.01 -0.43 0.28 121.20 122.70 1t3t s ILE 227 Ca 0.08 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 1t3t s ILE 227 Cb -0.08 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 1t3t s ILE 227 CO 0.04 -0.33 -0.02 -0.63 0.00 0.00 0.00 174.94 174.00 1t3t s ILE 228 N 1.88 3.72 -1.56 2.92 1.09 -0.25 -1.06 121.20 127.94 1t3t s ILE 228 Ca 0.02 -0.39 -0.13 0.00 -1.10 0.00 0.00 60.65 59.04 1t3t s ILE 228 Cb -0.17 -2.67 0.10 0.00 -1.06 0.00 0.00 42.46 38.66 1t3t s ILE 228 CO -0.13 0.44 0.88 0.47 -0.10 0.00 0.00 174.94 176.49 1t3t n ASP 229 N 4.30 -3.88 0.00 3.58 8.00 -0.76 -1.18 116.55 126.60 1t3t n ASP 229 Ca -0.17 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.46 1t3t n ASP 229 Cb 0.52 -3.53 0.00 0.00 -0.02 0.00 0.00 41.12 38.09 1t3t n ASP 229 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t3t n GLY 230 N -1.62 0.72 3.16 0.44 0.00 -1.26 -5.03 105.19 101.59 1t3t n GLY 230 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1t3t n GLY 230 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t3t s LYS 231 N -0.09 3.06 0.29 1.61 1.02 -0.32 -5.10 119.74 120.20 1t3t s LYS 231 Ca 0.00 -0.80 -0.30 0.00 0.02 0.00 0.00 55.97 54.90 1t3t s LYS 231 Cb 0.00 -2.66 -0.11 0.00 -0.52 0.00 0.00 37.83 34.54 1t3t s LYS 231 CO 0.00 -0.21 1.48 -2.14 -0.92 0.00 0.00 175.35 173.56 1t3t s PRO 232 N 1.33 4.21 -0.09 -1.68 0.02 -1.26 -1.09 135.00 136.44 1t3t s PRO 232 Ca 0.05 2.41 -0.09 0.00 0.02 0.00 0.00 61.00 63.39 1t3t s PRO 232 Cb -0.13 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 1t3t s PRO 232 CO -0.11 -0.47 0.22 -0.65 -0.33 0.00 0.00 177.00 175.66 1t3t s GLN 233 N -0.77 3.58 0.21 5.54 -1.52 0.14 -4.91 119.66 121.94 1t3t s GLN 233 Ca 0.59 0.03 -0.08 0.00 -1.95 0.00 0.00 55.36 53.94 1t3t s GLN 233 Cb -0.44 -3.20 0.15 0.00 -0.22 0.00 0.00 33.01 29.30 1t3t s GLN 233 CO 0.48 0.75 1.76 -1.35 -0.25 0.00 0.00 175.29 176.68 1t3t h PRO 234 N 4.91 1.19 -6.59 2.91 0.11 -1.94 -3.40 132.00 129.19 1t3t h PRO 234 Ca -0.54 -0.24 -0.65 0.00 0.11 0.00 0.00 66.00 64.69 1t3t h PRO 234 Cb 1.23 -0.18 -0.19 0.00 0.11 0.00 0.00 31.00 31.97 1t3t h PRO 234 CO 0.59 0.98 -0.82 0.15 -0.21 0.00 0.00 178.00 178.69 1t3t s LYS 235 N -5.48 1.50 0.77 1.05 1.02 -1.26 -5.06 119.74 112.27 1t3t s LYS 235 Ca -0.12 -1.51 -0.09 0.00 0.02 0.00 0.00 55.97 54.26 1t3t s LYS 235 Cb 0.15 -1.82 0.08 0.00 -0.52 0.00 0.00 37.83 35.73 1t3t s LYS 235 CO 0.84 0.39 1.11 -1.54 -0.92 0.00 0.00 175.35 175.24 1t3t s SER 236 N -2.64 4.52 0.16 2.83 1.04 -1.26 -4.73 113.70 113.62 1t3t s SER 236 Ca 0.20 0.55 -0.13 0.00 0.48 0.00 0.00 55.95 57.04 1t3t s SER 236 Cb -0.08 -1.07 0.06 0.00 0.10 0.00 0.00 66.02 65.03 1t3t s SER 236 CO 0.09 -1.83 1.74 -0.07 0.98 0.00 0.00 173.24 174.15 1t3t h LEU 237 N -0.88 0.72 -0.76 2.42 3.38 -1.77 -1.60 115.31 116.82 1t3t h LEU 237 Ca -0.45 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1t3t h LEU 237 Cb 1.31 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 1t3t h LEU 237 CO 0.60 0.65 0.48 0.15 0.09 0.00 0.00 178.44 180.41 1t3t h PHE 238 N 0.74 0.98 -0.38 1.13 3.57 -1.49 -1.78 116.94 119.71 1t3t h PHE 238 Ca 0.19 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 1t3t h PHE 238 Cb 0.13 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 1t3t h PHE 238 CO -0.00 0.64 0.04 -0.22 -2.23 0.00 0.00 178.31 176.54 1t3t h LYS 239 N 1.03 0.58 -0.02 1.11 1.63 -1.71 -0.10 116.57 119.10 1t3t h LYS 239 Ca 0.27 -0.12 -0.13 0.00 -0.85 0.00 0.00 60.65 59.83 1t3t h LYS 239 Cb -0.07 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.45 1t3t h LYS 239 CO -0.05 0.58 -0.60 0.52 -3.45 0.00 0.00 179.45 176.45 1t3t h MET 240 N 0.56 0.06 -0.14 1.90 2.86 -0.66 -2.05 114.93 117.46 1t3t h MET 240 Ca 0.12 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.59 1t3t h MET 240 Cb 0.30 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1t3t h MET 240 CO 0.01 0.64 -0.44 0.82 1.06 0.00 0.00 176.91 179.00 1t3t h ILE 241 N 0.04 1.35 0.00 -1.22 1.08 -0.72 -3.04 117.51 115.01 1t3t h ILE 241 Ca -0.01 -1.71 -0.01 0.00 -0.39 0.00 0.00 64.86 62.74 1t3t h ILE 241 Cb 1.07 2.04 -0.00 0.00 -3.07 0.00 0.00 36.82 36.86 1t3t h ILE 241 CO 0.08 0.52 -0.03 0.11 -0.69 0.00 0.00 178.15 178.15 1t3t h LYS 242 N 0.18 0.00 0.00 2.37 1.57 -0.87 -1.86 116.57 117.97 1t3t h LYS 242 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1t3t h LYS 242 Cb 1.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 1t3t h LYS 242 CO 0.09 0.03 -0.01 -0.97 -0.57 0.00 0.00 179.45 178.02 1t3t h ASN 243 N 0.00 0.00 0.59 0.86 -0.73 -1.24 -1.28 115.58 113.77 1t3t h ASN 243 Ca -0.00 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.07 1t3t h ASN 243 Cb 0.14 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.72 1t3t h ASN 243 CO 0.00 0.01 -0.47 0.71 -0.37 0.00 0.00 177.43 177.31 1t3t h THR 244 N 0.00 1.23 0.09 -3.57 1.35 -1.48 -1.35 112.91 109.19 1t3t h THR 244 Ca -0.00 -1.68 -0.26 0.00 -0.55 0.00 0.00 66.41 63.92 1t3t h THR 244 Cb 0.01 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.36 1t3t h THR 244 CO 0.00 0.46 -1.21 0.15 -0.25 0.00 0.00 175.52 174.67 1t3t h PHE 245 N 0.00 0.33 -0.40 4.73 3.57 -1.41 0.06 116.94 123.83 1t3t h PHE 245 Ca -0.00 -0.24 -0.12 0.00 3.53 0.00 0.00 57.97 61.14 1t3t h PHE 245 Cb 0.89 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1t3t h PHE 245 CO 0.00 1.20 -0.22 0.93 -2.23 0.00 0.00 178.31 178.00 1t3t h GLU 246 N 0.05 0.80 0.22 1.11 5.08 -1.20 -2.76 114.58 117.89 1t3t h GLU 246 Ca -0.11 -0.32 -0.30 0.00 -1.00 0.00 0.00 59.36 57.62 1t3t h GLU 246 Cb 1.92 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 31.16 1t3t h GLU 246 CO 0.17 0.95 -1.34 1.79 -1.00 0.00 0.00 179.01 179.58 1t3t h THR 247 N 0.70 1.30 -3.06 1.13 1.35 -1.28 -3.42 112.91 109.62 1t3t h THR 247 Ca 0.10 -2.63 -0.62 0.00 -0.55 0.00 0.00 66.41 62.71 1t3t h THR 247 Cb 0.73 3.05 -0.41 0.00 -1.73 0.00 0.00 68.15 69.80 1t3t h THR 247 CO 0.06 0.79 -0.69 -0.89 -0.25 0.00 0.00 175.52 174.54 1t3t s THR 248 N -2.55 2.04 -1.76 6.82 2.01 0.01 -4.90 115.64 117.30 1t3t s THR 248 Ca -0.11 -3.25 0.27 0.00 0.31 0.00 0.00 61.69 58.90 1t3t s THR 248 Cb 0.03 -2.39 0.32 0.00 0.01 0.00 0.00 72.50 70.48 1t3t s THR 248 CO 0.90 -0.93 1.64 -0.81 -0.69 0.00 0.00 174.62 174.73 1t3t n PRO 249 N 2.92 0.84 -1.61 4.92 -0.04 -1.04 -4.42 135.00 136.57 1t3t n PRO 249 Ca 0.13 -0.45 -0.54 0.00 -0.04 0.00 0.00 63.50 62.59 1t3t n PRO 249 Cb 0.35 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.26 1t3t n PRO 249 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1t3t n ASP 250 N -0.68 1.68 0.00 3.54 9.92 -1.26 -1.97 116.55 127.78 1t3t n ASP 250 Ca 0.13 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.50 1t3t n ASP 250 Cb 0.33 -1.16 0.00 0.00 -0.64 0.00 0.00 41.12 39.65 1t3t n ASP 250 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1t3t n TYR 251 N 3.07 0.00 -2.82 1.24 4.01 -1.26 -4.91 117.16 116.50 1t3t n TYR 251 Ca 0.20 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.53 1t3t n TYR 251 Cb 0.17 -0.78 -0.03 0.00 -0.31 0.00 0.00 39.34 38.38 1t3t n TYR 251 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1t3t s VAL 252 N -2.14 4.88 -0.18 -0.72 1.01 -0.83 -0.59 120.40 121.83 1t3t s VAL 252 Ca 0.00 1.82 0.14 0.00 0.00 0.00 0.00 61.98 63.94 1t3t s VAL 252 Cb 0.00 -4.21 -0.24 0.00 0.00 0.00 0.00 36.38 31.93 1t3t s VAL 252 CO 0.00 0.09 0.13 0.18 0.00 0.00 0.00 175.10 175.50 1t3t n LEU 253 N 4.64 0.60 -3.66 3.92 4.32 0.99 -4.94 117.00 122.87 1t3t n LEU 253 Ca 0.05 0.05 -0.10 0.00 -0.02 0.00 0.00 56.01 55.99 1t3t n LEU 253 Cb 0.50 0.22 -0.08 0.00 -1.62 0.00 0.00 43.42 42.44 1t3t n LEU 253 CO 0.50 0.55 0.28 -0.55 -1.22 0.00 0.00 177.39 176.95 1t3t s SER 254 N -5.76 -0.75 -0.18 -1.43 0.15 -0.94 -4.93 113.70 99.85 1t3t s SER 254 Ca -0.13 1.30 -0.16 0.00 0.70 0.00 0.00 55.95 57.67 1t3t s SER 254 Cb 0.07 1.23 0.05 0.00 -1.71 0.00 0.00 66.02 65.66 1t3t s SER 254 CO 0.80 -0.22 0.48 0.00 1.20 0.00 0.00 173.24 175.50 1t3t s ALA 255 N 1.08 -1.21 -2.08 5.45 0.00 -1.26 -1.08 121.76 122.66 1t3t s ALA 255 Ca -0.06 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1t3t s ALA 255 Cb -0.05 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1t3t s ALA 255 CO -0.10 -0.24 0.00 0.66 0.00 0.00 0.00 175.76 176.08 1t3t n TYR 256 N 3.06 -0.10 -0.43 0.00 4.01 -1.23 -4.78 117.16 117.69 1t3t n TYR 256 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1t3t n TYR 256 Cb 0.57 -3.38 0.00 0.00 -0.31 0.00 0.00 39.34 36.22 1t3t n TYR 256 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1t3t n LYS 257 N -2.34 -0.12 -2.78 -0.72 5.02 -1.26 -5.09 118.16 110.87 1t3t n LYS 257 Ca -0.20 -0.44 -0.07 0.00 -2.02 0.00 0.00 58.31 55.58 1t3t n LYS 257 Cb 0.65 -0.78 -0.01 0.00 -0.02 0.00 0.00 35.03 34.86 1t3t n LYS 257 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1t3t n ASP 258 N -0.06 -0.76 -0.27 4.39 4.64 -1.26 -5.02 116.55 118.22 1t3t n ASP 258 Ca 0.00 -1.97 0.03 0.00 -1.38 0.00 0.00 54.79 51.47 1t3t n ASP 258 Cb 0.16 1.40 0.08 0.00 -1.04 0.00 0.00 41.12 41.71 1t3t n ASP 258 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 1t3t n ASN 259 N -1.80 0.78 -3.54 1.67 3.02 -1.26 -4.83 115.26 109.29 1t3t n ASN 259 Ca -0.00 -1.98 -0.07 0.00 -0.03 0.00 0.00 54.58 52.49 1t3t n ASN 259 Cb 0.31 -0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.36 1t3t n ASN 259 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1t3t s ALA 260 N -1.81 -1.92 0.29 5.41 0.00 -1.26 -4.70 121.76 117.77 1t3t s ALA 260 Ca 0.10 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.34 1t3t s ALA 260 Cb 0.05 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 1t3t s ALA 260 CO 0.07 -0.63 0.45 0.00 0.00 0.00 0.00 175.76 175.65 1t3t s ALA 261 N -2.75 3.81 -0.04 0.00 0.00 -0.72 -4.78 121.76 117.29 1t3t s ALA 261 Ca 0.06 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.99 1t3t s ALA 261 Cb -0.01 -1.93 0.01 0.00 0.00 0.00 0.00 23.12 21.20 1t3t s ALA 261 CO -0.07 0.13 -0.08 0.08 0.00 0.00 0.00 175.76 175.82 1t3t s VAL 262 N -2.13 0.76 0.22 0.00 1.01 -0.24 -1.15 120.40 118.88 1t3t s VAL 262 Ca 0.37 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.13 1t3t s VAL 262 Cb -0.09 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 1t3t s VAL 262 CO 0.32 0.26 -0.14 0.00 0.00 0.00 0.00 175.10 175.54 1t3t s MET 263 N 0.49 1.40 0.33 2.72 0.23 0.11 -0.01 119.30 124.57 1t3t s MET 263 Ca -0.08 -1.64 -0.29 0.00 -1.03 0.00 0.00 55.69 52.66 1t3t s MET 263 Cb -0.12 -1.20 -0.11 0.00 -1.53 0.00 0.00 34.83 31.88 1t3t s MET 263 CO 0.01 0.18 1.39 -1.21 -2.03 0.00 0.00 175.02 173.37 1t3t s GLU 264 N -3.64 4.25 0.00 3.16 2.02 0.24 -1.15 118.70 123.59 1t3t s GLU 264 Ca 0.24 2.36 0.00 0.00 0.02 0.00 0.00 54.97 57.59 1t3t s GLU 264 Cb -0.01 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.18 1t3t s GLU 264 CO 0.08 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 175.43 1t3t n GLY 265 N 0.92 1.71 3.12 -1.39 0.00 -1.26 -4.56 105.19 103.74 1t3t n GLY 265 Ca 0.01 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 1t3t n GLY 265 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t3t s SER 266 N 0.02 1.14 -0.41 1.61 0.01 -1.19 -4.91 113.70 109.97 1t3t s SER 266 Ca 0.00 -0.69 -0.27 0.00 1.31 0.00 0.00 55.95 56.30 1t3t s SER 266 Cb 0.00 0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.28 1t3t s SER 266 CO 0.00 -0.24 1.00 0.00 0.41 0.00 0.00 173.24 174.41 1t3t s ALA 267 N -1.97 3.32 0.33 1.44 0.00 -1.26 -0.36 121.76 123.26 1t3t s ALA 267 Ca -0.02 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.50 1t3t s ALA 267 Cb -0.06 -3.67 -0.01 0.00 0.00 0.00 0.00 23.12 19.38 1t3t s ALA 267 CO -0.00 -1.84 0.37 0.14 0.00 0.00 0.00 175.76 174.43 1t3t s VAL 268 N 3.80 0.00 -0.63 0.00 -7.23 -0.33 -4.83 120.40 111.19 1t3t s VAL 268 Ca 0.41 -1.80 -0.23 0.00 -1.81 0.00 0.00 61.98 58.55 1t3t s VAL 268 Cb -0.10 -2.57 0.06 0.00 0.56 0.00 0.00 36.38 34.33 1t3t s VAL 268 CO 0.23 0.00 0.97 -0.83 -0.31 0.00 0.00 175.10 175.16 1t3t s GLY 269 N -3.30 1.36 -0.13 2.32 0.00 -1.26 -1.21 107.32 105.11 1t3t s GLY 269 Ca 0.36 -1.62 -0.29 0.00 0.00 0.00 0.00 44.72 43.16 1t3t s GLY 269 CO 0.23 2.08 1.22 -1.60 0.00 0.00 0.00 173.10 175.03 1t3t s ARG 270 N 4.10 4.28 -0.29 2.90 6.06 0.20 -4.40 118.95 131.80 1t3t s ARG 270 Ca 0.25 1.64 -0.10 0.00 -2.50 0.00 0.00 55.73 55.02 1t3t s ARG 270 Cb -0.15 -3.67 -0.03 0.00 0.06 0.00 0.00 34.95 31.16 1t3t s ARG 270 CO 0.13 -0.59 0.16 -0.47 -2.50 0.00 0.00 175.30 172.03 1t3t s TYR 271 N 2.95 3.18 0.23 5.12 5.04 -1.26 -0.15 117.35 132.46 1t3t s TYR 271 Ca 0.54 -0.26 -0.22 0.00 -2.44 0.00 0.00 57.07 54.69 1t3t s TYR 271 Cb -0.22 -2.35 0.04 0.00 0.35 0.00 0.00 41.96 39.77 1t3t s TYR 271 CO 0.17 -0.32 0.78 -0.59 -1.34 0.00 0.00 175.55 174.25 1t3t s PHE 272 N 1.68 -0.20 -0.19 4.97 -0.12 -0.99 -4.95 117.98 118.18 1t3t s PHE 272 Ca 0.06 -0.20 -0.20 0.00 -0.05 0.00 0.00 56.93 56.54 1t3t s PHE 272 Cb -0.16 0.68 -0.03 0.00 -0.63 0.00 0.00 43.02 42.88 1t3t s PHE 272 CO 0.08 -1.10 0.57 0.00 -0.05 0.00 0.00 175.22 174.72 1t3t s ALA 273 N -3.73 3.53 0.53 1.99 0.00 -1.26 -1.11 121.76 121.71 1t3t s ALA 273 Ca 0.11 -0.32 -0.22 0.00 0.00 0.00 0.00 51.96 51.53 1t3t s ALA 273 Cb -0.04 -2.87 -0.06 0.00 0.00 0.00 0.00 23.12 20.14 1t3t s ALA 273 CO 0.04 -0.45 1.22 -3.47 0.00 0.00 0.00 175.76 173.11 1t3t n ASP 274 N 4.78 2.07 -0.03 0.00 2.03 -0.49 -4.83 116.55 120.09 1t3t n ASP 274 Ca -0.03 0.96 -0.07 0.00 0.52 0.00 0.00 54.79 56.16 1t3t n ASP 274 Cb 0.50 -1.50 0.10 0.00 -0.72 0.00 0.00 41.12 39.50 1t3t n ASP 274 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1t3t h HIS 275 N 1.30 0.74 0.13 -0.67 -0.00 -1.92 -1.10 115.15 113.64 1t3t h HIS 275 Ca -0.49 -0.20 -0.31 0.00 -0.00 0.00 0.00 60.37 59.37 1t3t h HIS 275 Cb 1.32 -0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 28.56 1t3t h HIS 275 CO 0.44 0.89 -1.51 -0.91 -0.00 0.00 0.00 177.93 176.84 1t3t h ASN 276 N 0.54 0.42 0.14 3.26 -0.26 -1.99 -3.39 115.58 114.30 1t3t h ASN 276 Ca 0.06 -0.56 -0.30 0.00 -0.56 0.00 0.00 56.30 54.93 1t3t h ASN 276 Cb 0.84 -0.14 -0.06 0.00 -1.06 0.00 0.00 38.32 37.91 1t3t h ASN 276 CO 0.07 1.46 -2.15 0.35 -1.06 0.00 0.00 177.43 176.11 1t3t n THR 277 N -3.47 1.27 -0.86 2.81 -2.24 -1.25 -4.97 114.28 105.56 1t3t n THR 277 Ca -0.16 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 1t3t n THR 277 Cb 1.05 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1t3t n THR 277 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t3t n GLY 278 N 1.64 1.26 3.75 3.38 0.00 -0.41 -4.96 105.19 109.84 1t3t n GLY 278 Ca -0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 1t3t n GLY 278 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1t3t s ARG 279 N -0.01 4.44 0.16 1.61 3.52 -1.26 -0.63 118.95 126.78 1t3t s ARG 279 Ca 0.00 0.95 -0.30 0.00 -0.13 0.00 0.00 55.73 56.25 1t3t s ARG 279 Cb 0.00 -3.35 -0.07 0.00 -1.56 0.00 0.00 34.95 29.97 1t3t s ARG 279 CO 0.00 0.32 1.04 0.71 -0.81 0.00 0.00 175.30 176.56 1t3t s TYR 280 N -0.14 3.70 0.08 5.12 2.02 -0.14 -1.40 117.35 126.59 1t3t s TYR 280 Ca 0.36 1.69 -0.14 0.00 -0.37 0.00 0.00 57.07 58.61 1t3t s TYR 280 Cb -0.20 -3.18 0.02 0.00 -0.40 0.00 0.00 41.96 38.20 1t3t s TYR 280 CO 0.21 -0.26 0.32 -0.51 -1.57 0.00 0.00 175.55 173.75 1t3t s ASP 281 N -0.14 -0.13 0.11 2.29 1.01 -0.27 -4.69 116.67 114.85 1t3t s ASP 281 Ca 0.48 -0.29 -0.25 0.00 0.71 0.00 0.00 52.55 53.20 1t3t s ASP 281 Cb -0.27 0.40 -0.07 0.00 1.01 0.00 0.00 42.92 43.99 1t3t s ASP 281 CO 0.33 -0.71 0.76 -0.36 0.21 0.00 0.00 175.17 175.40 1t3t s PHE 282 N -3.16 3.83 -0.29 4.23 0.08 -1.26 -2.35 117.98 119.06 1t3t s PHE 282 Ca -0.01 1.55 0.02 0.00 0.12 0.00 0.00 56.93 58.61 1t3t s PHE 282 Cb 0.01 -2.77 0.08 0.00 -0.57 0.00 0.00 43.02 39.77 1t3t s PHE 282 CO -0.07 0.42 -0.00 -1.01 -0.10 0.00 0.00 175.22 174.45 1t3t s HIS 283 N -0.69 2.99 -0.12 0.36 3.76 0.78 -4.86 115.29 117.51 1t3t s HIS 283 Ca 0.36 -2.34 -0.29 0.00 -0.15 0.00 0.00 55.06 52.64 1t3t s HIS 283 Cb -0.22 -2.18 -0.04 0.00 1.11 0.00 0.00 32.58 31.25 1t3t s HIS 283 CO 0.24 -0.88 1.56 -1.14 -0.85 0.00 0.00 174.74 173.68 1t3t s GLN 284 N 1.18 4.10 -0.07 1.40 2.00 -1.26 -0.63 119.66 126.38 1t3t s GLN 284 Ca 0.02 1.95 -0.32 0.00 -2.00 0.00 0.00 55.36 55.01 1t3t s GLN 284 Cb -0.19 -3.95 0.12 0.00 0.80 0.00 0.00 33.01 29.79 1t3t s GLN 284 CO -0.09 -0.93 1.24 -1.83 -0.50 0.00 0.00 175.29 173.18 1t3t s GLU 285 N 4.08 0.40 0.11 1.67 -1.05 -0.35 -4.94 118.70 118.63 1t3t s GLU 285 Ca 0.69 -0.20 -0.31 0.00 -0.15 0.00 0.00 54.97 55.00 1t3t s GLU 285 Cb -0.29 0.15 -0.08 0.00 -0.44 0.00 0.00 34.13 33.48 1t3t s GLU 285 CO 0.26 -0.18 1.40 -2.14 0.95 0.00 0.00 175.26 175.55 1t3t s PRO 286 N -2.47 4.31 -0.74 -4.83 0.02 -1.26 -1.18 135.00 128.85 1t3t s PRO 286 Ca 0.12 2.08 -0.06 0.00 0.02 0.00 0.00 61.00 63.16 1t3t s PRO 286 Cb 0.02 -3.27 0.19 0.00 0.02 0.00 0.00 34.50 31.46 1t3t s PRO 286 CO -0.04 -0.46 0.60 0.00 -0.33 0.00 0.00 177.00 176.77 1t3t s ALA 287 N 1.22 3.85 0.73 -1.55 0.00 0.51 -4.43 121.76 122.10 1t3t s ALA 287 Ca 0.65 -3.39 -0.12 0.00 0.00 0.00 0.00 51.96 49.10 1t3t s ALA 287 Cb -0.37 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 19.83 1t3t s ALA 287 CO 0.30 -2.17 1.09 -1.01 0.00 0.00 0.00 175.76 173.97 1t3t s HIS 288 N -0.24 2.65 -0.16 0.00 3.76 -0.84 -3.19 115.29 117.28 1t3t s HIS 288 Ca 0.19 1.54 -0.03 0.00 -0.15 0.00 0.00 55.06 56.61 1t3t s HIS 288 Cb -0.15 -3.06 -0.02 0.00 1.11 0.00 0.00 32.58 30.45 1t3t s HIS 288 CO -0.06 -1.69 -0.05 0.42 -0.85 0.00 0.00 174.74 172.51 1t3t s ILE 289 N -2.75 3.75 0.18 0.60 1.01 -0.30 -1.27 121.20 122.42 1t3t s ILE 289 Ca 0.62 -0.40 0.06 0.00 0.00 0.00 0.00 60.65 60.93 1t3t s ILE 289 Cb -0.18 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 1t3t s ILE 289 CO 0.51 0.48 0.07 -1.48 0.00 0.00 0.00 174.94 174.53 1t3t s LEU 290 N 0.52 3.56 -0.06 2.97 0.05 -0.24 0.07 118.68 125.55 1t3t s LEU 290 Ca -0.04 -0.27 -0.12 0.00 0.05 0.00 0.00 54.13 53.75 1t3t s LEU 290 Cb -0.14 -2.19 0.03 0.00 -2.05 0.00 0.00 46.19 41.84 1t3t s LEU 290 CO 0.03 0.07 0.30 0.00 -0.55 0.00 0.00 176.35 176.20 1t3t s MET 291 N -3.08 0.51 -0.19 1.48 0.23 -0.30 -1.84 119.30 116.12 1t3t s MET 291 Ca 0.29 0.10 -0.28 0.00 -1.03 0.00 0.00 55.69 54.78 1t3t s MET 291 Cb -0.09 0.23 0.09 0.00 -1.53 0.00 0.00 34.83 33.53 1t3t s MET 291 CO 0.21 -0.11 0.80 0.21 -2.03 0.00 0.00 175.02 174.10 1t3t s LYS 292 N -0.61 0.82 -0.02 3.16 2.47 -1.00 -1.76 119.74 122.80 1t3t s LYS 292 Ca -0.07 0.58 0.00 0.00 -1.56 0.00 0.00 55.97 54.92 1t3t s LYS 292 Cb -0.04 0.39 0.02 0.00 -1.46 0.00 0.00 37.83 36.75 1t3t s LYS 292 CO 0.02 -0.18 0.02 0.08 0.16 0.00 0.00 175.35 175.45 1t3t s VAL 293 N -0.35 0.01 0.33 4.02 1.01 -1.26 -1.27 120.40 122.90 1t3t s VAL 293 Ca -0.03 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1t3t s VAL 293 Cb -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.20 1t3t s VAL 293 CO 0.03 0.09 0.18 -0.70 0.00 0.00 0.00 175.10 174.69 1t3t s GLU 294 N 0.87 1.71 0.09 2.72 2.12 0.67 -4.64 118.70 122.23 1t3t s GLU 294 Ca -0.08 -2.00 0.01 0.00 0.36 0.00 0.00 54.97 53.27 1t3t s GLU 294 Cb -0.11 -0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.12 1t3t s GLU 294 CO -0.02 -0.50 -0.06 0.95 -0.54 0.00 0.00 175.26 175.09 1t3t s THR 295 N -3.48 0.59 -0.37 -1.70 -4.23 -1.26 -1.06 115.64 104.13 1t3t s THR 295 Ca 0.34 -1.90 0.12 0.00 -1.18 0.00 0.00 61.69 59.07 1t3t s THR 295 Cb 0.04 -1.64 0.37 0.00 1.34 0.00 0.00 72.50 72.61 1t3t s THR 295 CO 0.19 -0.90 0.85 1.57 -0.54 0.00 0.00 174.62 175.79 1t3t n HIS 296 N 0.00 -0.13 0.19 3.99 -0.00 -0.16 -5.00 115.22 114.12 1t3t n HIS 296 Ca -0.13 -3.31 -0.14 0.00 0.46 0.00 0.00 57.72 54.60 1t3t n HIS 296 Cb 0.61 -0.06 -0.08 0.00 -0.12 0.00 0.00 29.99 30.34 1t3t n HIS 296 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 1t3t h ASN 297 N 2.96 -0.42 0.02 0.26 2.35 -1.78 -3.02 115.58 115.96 1t3t h ASN 297 Ca 0.02 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1t3t h ASN 297 Cb 1.04 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.51 1t3t h ASN 297 CO 0.43 -0.08 -0.04 -0.74 -1.65 0.00 0.00 177.43 175.35 1t3t h HIS 298 N -0.79 -0.11 -0.93 1.19 2.76 -1.95 -2.94 115.15 112.38 1t3t h HIS 298 Ca -0.05 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.14 1t3t h HIS 298 Cb 0.52 0.05 -0.05 0.00 1.55 0.00 0.00 27.41 29.48 1t3t h HIS 298 CO 0.01 -0.07 0.61 -1.35 -1.30 0.00 0.00 177.93 175.83 1t3t h PRO 299 N -0.09 1.19 0.00 5.26 0.11 -1.82 -2.51 132.00 134.13 1t3t h PRO 299 Ca 0.01 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 1t3t h PRO 299 Cb 0.10 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 30.94 1t3t h PRO 299 CO -0.03 0.79 -0.15 1.15 -0.21 0.00 0.00 178.00 179.55 1t3t h THR 300 N 1.23 0.81 0.00 -1.15 2.02 -1.40 -0.06 112.91 114.36 1t3t h THR 300 Ca 0.35 -0.57 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 1t3t h THR 300 Cb -0.09 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1t3t h THR 300 CO -0.09 0.15 -0.34 0.00 0.37 0.00 0.00 175.52 175.61 1t3t h ALA 301 N 1.85 0.94 0.01 6.16 0.00 -1.28 -3.01 119.26 123.93 1t3t h ALA 301 Ca -0.00 -0.31 -0.30 0.00 0.00 0.00 0.00 54.91 54.29 1t3t h ALA 301 Cb 0.33 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1t3t h ALA 301 CO 0.02 0.43 -1.64 -0.89 0.00 0.00 0.00 179.25 177.17 1t3t n ILE 302 N -3.42 1.54 -3.45 0.00 2.08 -0.81 -1.64 119.36 113.67 1t3t n ILE 302 Ca 0.00 -0.15 -0.25 0.00 0.56 0.00 0.00 62.75 62.90 1t3t n ILE 302 Cb 0.53 -1.98 -0.11 0.00 -0.75 0.00 0.00 39.64 37.32 1t3t n ILE 302 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1t3t s SER 303 N -7.03 2.58 0.17 4.38 0.15 -0.10 -4.69 113.70 109.16 1t3t s SER 303 Ca -0.31 -1.77 -0.19 0.00 0.70 0.00 0.00 55.95 54.39 1t3t s SER 303 Cb 0.08 -0.10 0.10 0.00 -1.71 0.00 0.00 66.02 64.38 1t3t s SER 303 CO 0.57 -0.33 1.64 -0.65 1.20 0.00 0.00 173.24 175.68 1t3t h PRO 304 N 7.39 -0.10 0.62 5.44 0.11 -1.72 -1.10 132.00 142.65 1t3t h PRO 304 Ca -0.01 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1t3t h PRO 304 Cb 1.00 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1t3t h PRO 304 CO 0.29 -0.07 -0.40 2.35 -0.21 0.00 0.00 178.00 179.96 1t3t h TRP 305 N -0.10 -1.06 -0.34 0.65 2.91 -1.86 -0.99 115.95 115.15 1t3t h TRP 305 Ca 0.19 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.16 1t3t h TRP 305 Cb 0.40 0.38 -0.02 0.00 -0.51 0.00 0.00 29.16 29.41 1t3t h TRP 305 CO -0.41 -0.59 0.02 -1.35 -1.03 0.00 0.00 178.44 175.08 1t3t h PRO 306 N -0.96 0.51 -0.08 2.65 0.11 -1.86 -1.04 132.00 131.33 1t3t h PRO 306 Ca -0.08 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1t3t h PRO 306 Cb 0.77 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.80 1t3t h PRO 306 CO 0.07 0.52 0.05 0.78 -0.21 0.00 0.00 178.00 179.22 1t3t h GLY 307 N 0.80 0.11 1.29 -0.55 0.00 -1.10 -0.28 103.07 103.35 1t3t h GLY 307 Ca 0.11 -0.04 -0.18 0.00 0.00 0.00 0.00 47.33 47.22 1t3t h GLY 307 CO 0.01 0.04 -0.57 0.00 0.00 0.00 0.00 176.54 176.01 1t3t h ALA 308 N 1.03 0.54 -0.35 3.60 0.00 -1.00 -2.04 119.26 121.05 1t3t h ALA 308 Ca 0.03 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1t3t h ALA 308 Cb -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1t3t h ALA 308 CO -0.01 0.69 0.15 0.00 0.00 0.00 0.00 179.25 180.08 1t3t h ALA 309 N 0.79 0.45 0.00 0.00 0.00 -1.05 -1.96 119.26 117.49 1t3t h ALA 309 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1t3t h ALA 309 Cb 1.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1t3t h ALA 309 CO 0.12 0.04 0.00 1.79 0.00 0.00 0.00 179.25 181.20 1t3t h THR 310 N 0.42 0.00 -0.26 0.00 1.35 -1.11 -0.24 112.91 113.07 1t3t h THR 310 Ca 0.12 -0.61 -0.04 0.00 -0.55 0.00 0.00 66.41 65.33 1t3t h THR 310 Cb 0.17 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 1t3t h THR 310 CO -0.01 0.00 0.02 1.23 -0.25 0.00 0.00 175.52 176.51 1t3t h GLY 311 N 3.56 0.49 0.93 5.82 0.00 -0.65 0.11 103.07 113.33 1t3t h GLY 311 Ca 0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 1t3t h GLY 311 CO 0.00 0.31 -0.29 1.76 0.00 0.00 0.00 176.54 178.32 1t3t h SER 312 N 0.25 0.68 -0.58 0.19 0.02 -1.16 -2.90 113.55 110.04 1t3t h SER 312 Ca 0.08 -0.49 0.03 0.00 -0.84 0.00 0.00 61.79 60.57 1t3t h SER 312 Cb 0.37 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 1t3t h SER 312 CO 0.01 1.04 0.34 1.23 -1.14 0.00 0.00 176.83 178.31 1t3t h GLY 313 N 0.34 0.83 1.16 -3.77 0.00 -0.93 -0.23 103.07 100.47 1t3t h GLY 313 Ca 0.03 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 1t3t h GLY 313 CO 0.07 0.19 -0.01 -1.33 0.00 0.00 0.00 176.54 175.46 1t3t h GLY 314 N 0.66 1.09 1.50 4.60 0.00 -0.82 -2.52 103.07 107.59 1t3t h GLY 314 Ca 0.24 -0.79 -0.11 0.00 0.00 0.00 0.00 47.33 46.67 1t3t h GLY 314 CO -0.12 0.73 -0.27 -2.09 0.00 0.00 0.00 176.54 174.79 1t3t h GLU 315 N 0.92 0.57 -0.10 4.80 4.22 -1.25 -2.43 114.58 121.31 1t3t h GLU 315 Ca 0.16 -0.23 -0.08 0.00 0.08 0.00 0.00 59.36 59.29 1t3t h GLU 315 Cb 0.55 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1t3t h GLU 315 CO 0.03 0.79 -0.31 0.82 -2.18 0.00 0.00 179.01 178.15 1t3t h ILE 316 N 0.50 1.26 -0.31 2.32 2.04 -0.87 -2.64 117.51 119.81 1t3t h ILE 316 Ca 0.07 -1.24 -0.15 0.00 1.00 0.00 0.00 64.86 64.53 1t3t h ILE 316 Cb 0.72 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1t3t h ILE 316 CO 0.06 0.37 -0.42 0.03 0.00 0.00 0.00 178.15 178.19 1t3t h ARG 317 N 0.17 0.78 -0.76 2.37 3.08 -1.11 -2.17 114.38 116.76 1t3t h ARG 317 Ca 0.02 -0.42 0.04 0.00 0.07 0.00 0.00 59.98 59.69 1t3t h ARG 317 Cb 0.65 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 1t3t h ARG 317 CO 0.05 1.05 0.47 -0.44 -1.07 0.00 0.00 179.97 180.03 1t3t h ASP 318 N 0.63 0.75 0.24 7.04 3.45 -1.16 0.36 116.42 127.74 1t3t h ASP 318 Ca 0.05 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.50 1t3t h ASP 318 Cb 0.98 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.61 1t3t h ASP 318 CO 0.09 0.50 -0.11 -0.33 -1.57 0.00 0.00 179.24 177.82 1t3t h GLU 319 N 0.89 -0.31 0.00 3.56 5.08 -1.35 -2.92 114.58 119.53 1t3t h GLU 319 Ca 0.32 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1t3t h GLU 319 Cb 0.08 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1t3t h GLU 319 CO -0.14 -0.04 -0.12 0.78 -1.00 0.00 0.00 179.01 178.49 1t3t h GLY 320 N -0.55 0.00 -2.27 -3.84 0.00 -1.21 -2.36 103.07 92.84 1t3t h GLY 320 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1t3t h GLY 320 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.59 1t3t n ALA 321 N -2.45 3.03 -1.97 3.60 0.00 0.10 -1.76 120.51 121.06 1t3t n ALA 321 Ca -0.03 -1.05 -0.41 0.00 0.00 0.00 0.00 53.44 51.96 1t3t n ALA 321 Cb 0.20 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.56 1t3t n ALA 321 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1t3t s THR 322 N -1.84 3.99 0.00 0.00 2.01 -0.89 -4.45 115.64 114.47 1t3t s THR 322 Ca 0.33 1.83 0.00 0.00 0.31 0.00 0.00 61.69 64.15 1t3t s THR 322 Cb 0.22 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.57 1t3t s THR 322 CO 0.14 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 1t3t n GLY 323 N 1.79 3.49 1.62 4.40 0.00 -1.26 -1.59 105.19 113.65 1t3t n GLY 323 Ca 0.01 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1t3t n GLY 323 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t3t n ARG 324 N 14.00 2.20 0.00 1.61 1.74 0.10 -4.19 116.66 132.12 1t3t n ARG 324 Ca 0.00 -3.10 0.00 0.00 -0.77 0.00 0.00 57.85 53.98 1t3t n ARG 324 Cb 0.00 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 29.45 1t3t n ARG 324 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1t3t n GLY 325 N -1.03 3.82 3.64 -0.13 0.00 -0.62 -4.73 105.19 106.14 1t3t n GLY 325 Ca 0.43 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 1t3t n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3t s ALA 326 N -0.50 -0.18 -0.15 4.61 0.00 -0.72 -4.71 121.76 120.11 1t3t s ALA 326 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1t3t s ALA 326 Cb 0.00 0.99 0.02 0.00 0.00 0.00 0.00 23.12 24.14 1t3t s ALA 326 CO 0.00 -0.88 -0.13 0.21 0.00 0.00 0.00 175.76 174.95 1t3t s LYS 327 N -3.42 2.23 0.50 0.00 2.20 -0.63 -4.32 119.74 116.31 1t3t s LYS 327 Ca 0.22 -0.58 -0.23 0.00 -0.36 0.00 0.00 55.97 55.02 1t3t s LYS 327 Cb -0.02 -2.12 -0.06 0.00 -1.51 0.00 0.00 37.83 34.12 1t3t s LYS 327 CO 0.12 -0.26 1.39 -2.14 -0.36 0.00 0.00 175.35 174.10 1t3t s PRO 328 N 1.49 3.40 0.00 4.03 0.02 -1.26 -0.97 135.00 141.71 1t3t s PRO 328 Ca 0.04 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.38 1t3t s PRO 328 Cb -0.13 -2.45 0.00 0.00 0.02 0.00 0.00 34.50 31.94 1t3t s PRO 328 CO -0.10 -1.01 0.00 1.17 -0.33 0.00 0.00 177.00 176.72 1t3t n LYS 329 N -0.63 0.00 -3.76 5.54 4.81 0.10 -4.83 118.16 119.39 1t3t n LYS 329 Ca 0.08 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.41 1t3t n LYS 329 Cb 0.43 -0.53 -0.07 0.00 0.02 0.00 0.00 35.03 34.88 1t3t n LYS 329 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1t3t s ALA 330 N -1.98 -0.62 0.27 3.14 0.00 -0.94 -4.22 121.76 117.41 1t3t s ALA 330 Ca 0.00 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 51.92 1t3t s ALA 330 Cb 0.00 0.36 -0.06 0.00 0.00 0.00 0.00 23.12 23.42 1t3t s ALA 330 CO 0.00 -0.43 -0.02 0.20 0.00 0.00 0.00 175.76 175.50 1t3t s GLY 331 N -2.20 1.76 0.10 0.00 0.00 0.91 -0.72 107.32 107.18 1t3t s GLY 331 Ca -0.03 -1.88 0.05 0.00 0.00 0.00 0.00 44.72 42.86 1t3t s GLY 331 CO -0.05 -1.77 -0.12 0.48 0.00 0.00 0.00 173.10 171.64 1t3t s LEU 332 N -3.40 2.39 0.01 0.66 2.34 0.00 -1.45 118.68 119.24 1t3t s LEU 332 Ca 0.30 -0.79 0.02 0.00 0.06 0.00 0.00 54.13 53.72 1t3t s LEU 332 Cb 0.05 -0.40 -0.01 0.00 -0.56 0.00 0.00 46.19 45.27 1t3t s LEU 332 CO 0.11 -0.20 -0.06 -0.69 -1.06 0.00 0.00 176.35 174.45 1t3t s VAL 333 N -2.22 0.46 0.01 1.48 1.01 -0.56 -1.84 120.40 118.74 1t3t s VAL 333 Ca 0.06 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1t3t s VAL 333 Cb -0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.89 1t3t s VAL 333 CO 0.01 -0.03 -0.05 -0.83 0.00 0.00 0.00 175.10 174.21 1t3t s GLY 334 N -0.56 0.27 -0.04 4.51 0.00 0.61 -1.92 107.32 110.19 1t3t s GLY 334 Ca -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 44.72 44.33 1t3t s GLY 334 CO -0.00 -0.36 0.09 -1.36 0.00 0.00 0.00 173.10 171.48 1t3t s PHE 335 N -0.54 -0.09 -0.10 1.90 0.08 -0.78 -0.42 117.98 118.04 1t3t s PHE 335 Ca -0.03 0.30 -0.01 0.00 0.12 0.00 0.00 56.93 57.31 1t3t s PHE 335 Cb -0.04 -0.09 0.03 0.00 -0.57 0.00 0.00 43.02 42.35 1t3t s PHE 335 CO -0.00 -0.11 -0.02 -1.12 -0.10 0.00 0.00 175.22 173.87 1t3t s SER 336 N 0.80 1.96 0.32 1.36 0.01 -0.52 -1.02 113.70 116.61 1t3t s SER 336 Ca -0.06 -0.25 0.04 0.00 1.31 0.00 0.00 55.95 56.98 1t3t s SER 336 Cb -0.09 -0.60 -0.03 0.00 0.21 0.00 0.00 66.02 65.51 1t3t s SER 336 CO -0.03 -0.18 0.18 0.68 0.41 0.00 0.00 173.24 174.29 1t3t s VAL 337 N 1.86 0.28 0.00 3.43 -7.23 -0.62 -1.37 120.40 116.76 1t3t s VAL 337 Ca 0.04 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1t3t s VAL 337 Cb -0.13 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.32 1t3t s VAL 337 CO -0.07 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.52 1t3t n SER 338 N -1.08 -0.11 -4.77 4.85 7.64 -1.23 -1.22 113.62 117.70 1t3t n SER 338 Ca 0.01 -0.70 -0.41 0.00 1.01 0.00 0.00 58.87 58.79 1t3t n SER 338 Cb 0.64 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.83 1t3t n SER 338 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1t3t s ASN 339 N -1.07 6.50 0.11 6.43 0.02 -1.26 -4.29 114.94 121.37 1t3t s ASN 339 Ca 0.00 2.86 -0.13 0.00 -1.02 0.00 0.00 52.86 54.57 1t3t s ASN 339 Cb 0.00 -2.66 -0.10 0.00 0.02 0.00 0.00 41.25 38.51 1t3t s ASN 339 CO 0.00 -0.74 1.38 -0.07 0.02 0.00 0.00 177.10 177.69 1t3t h LEU 340 N 3.10 0.91 -2.68 0.60 3.38 -1.93 -3.41 115.31 115.27 1t3t h LEU 340 Ca -0.50 -0.54 -0.47 0.00 0.09 0.00 0.00 57.88 56.46 1t3t h LEU 340 Cb 1.24 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 41.75 1t3t h LEU 340 CO 0.64 1.28 -0.92 0.54 0.09 0.00 0.00 178.44 180.08 1t3t n ARG 341 N -4.07 -2.13 -1.87 1.13 1.74 -1.26 -4.30 116.66 105.89 1t3t n ARG 341 Ca -0.05 0.42 -0.42 0.00 -0.77 0.00 0.00 57.85 57.03 1t3t n ARG 341 Cb 0.61 -4.22 -0.03 0.00 -1.02 0.00 0.00 32.46 27.80 1t3t n ARG 341 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1t3t s ILE 342 N -3.68 2.89 -0.08 0.55 1.01 -1.26 -4.89 121.20 115.74 1t3t s ILE 342 Ca 0.27 0.38 -0.37 0.00 0.00 0.00 0.00 60.65 60.93 1t3t s ILE 342 Cb -0.10 -3.24 -0.14 0.00 0.01 0.00 0.00 42.46 38.98 1t3t s ILE 342 CO 0.88 0.00 1.67 -2.65 0.00 0.00 0.00 174.94 174.84 1t3t n PRO 343 N 5.54 1.61 -0.98 2.79 -0.02 -1.26 -0.53 135.00 142.14 1t3t n PRO 343 Ca 0.16 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1t3t n PRO 343 Cb 0.40 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1t3t n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t3t n GLY 344 N 3.77 0.96 2.22 -1.23 0.00 -1.26 -4.83 105.19 104.82 1t3t n GLY 344 Ca 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.21 1t3t n GLY 344 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1t3t n PHE 345 N -2.02 1.17 -1.96 1.61 7.35 0.31 -5.09 117.46 118.82 1t3t n PHE 345 Ca 0.00 -1.75 -0.41 0.00 -0.76 0.00 0.00 57.45 54.53 1t3t n PHE 345 Cb 0.00 -0.23 -0.01 0.00 0.35 0.00 0.00 39.48 39.58 1t3t n PHE 345 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1t3t s GLU 346 N -2.90 4.24 0.07 -4.13 0.41 -1.17 -4.43 118.70 110.78 1t3t s GLU 346 Ca 0.34 2.38 0.01 0.00 -0.41 0.00 0.00 54.97 57.29 1t3t s GLU 346 Cb 0.36 -3.04 -0.04 0.00 -1.78 0.00 0.00 34.13 29.62 1t3t s GLU 346 CO -0.06 -0.39 0.15 -0.65 -0.49 0.00 0.00 175.26 173.83 1t3t s GLN 347 N -1.46 3.19 0.42 1.61 -1.52 -1.26 -5.02 119.66 115.62 1t3t s GLN 347 Ca 0.54 -0.55 0.23 0.00 -1.95 0.00 0.00 55.36 53.63 1t3t s GLN 347 Cb -0.43 -2.90 1.22 0.00 -0.22 0.00 0.00 33.01 30.68 1t3t s GLN 347 CO 0.54 0.59 1.74 -1.35 -0.25 0.00 0.00 175.29 176.56 1t3t h PRO 348 N 3.18 0.27 -0.00 2.91 0.11 -1.95 -1.61 132.00 134.90 1t3t h PRO 348 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1t3t h PRO 348 Cb 1.16 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1t3t h PRO 348 CO 0.71 0.18 -0.24 -2.67 -0.21 0.00 0.00 178.00 175.78 1t3t n TRP 349 N -4.59 0.00 -2.95 0.65 2.14 -1.26 -4.92 117.44 106.51 1t3t n TRP 349 Ca 0.28 0.00 -0.40 0.00 2.07 0.00 0.00 57.50 59.45 1t3t n TRP 349 Cb 1.04 -0.29 -0.05 0.00 -0.81 0.00 0.00 31.31 31.20 1t3t n TRP 349 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1t3t s GLU 350 N -2.82 4.54 -0.01 -2.67 2.02 -0.61 -4.85 118.70 114.31 1t3t s GLU 350 Ca 0.18 1.14 0.00 0.00 0.02 0.00 0.00 54.97 56.31 1t3t s GLU 350 Cb 0.19 -3.34 0.02 0.00 0.10 0.00 0.00 34.13 31.10 1t3t s GLU 350 CO 0.58 0.36 0.02 -2.00 0.02 0.00 0.00 175.26 174.24 1t3t s GLU 351 N -0.37 -0.02 -0.41 1.61 2.12 -1.26 -4.92 118.70 115.46 1t3t s GLU 351 Ca 0.39 0.12 -0.29 0.00 0.36 0.00 0.00 54.97 55.54 1t3t s GLU 351 Cb -0.22 -0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.03 1t3t s GLU 351 CO 0.25 -0.11 1.13 0.34 -0.54 0.00 0.00 175.26 176.33 1t3t s ASP 352 N 0.68 6.74 0.00 -1.70 2.15 -1.26 -4.86 116.67 118.42 1t3t s ASP 352 Ca -0.06 0.72 0.22 0.00 0.43 0.00 0.00 52.55 53.87 1t3t s ASP 352 Cb -0.08 -2.55 0.41 0.00 -0.30 0.00 0.00 42.92 40.40 1t3t s ASP 352 CO -0.02 -1.11 1.38 0.49 -0.17 0.00 0.00 175.17 175.74 1t3t n PHE 353 N 7.49 0.49 -1.54 -5.34 3.72 -1.26 -5.08 117.46 115.94 1t3t n PHE 353 Ca 0.12 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1t3t n PHE 353 Cb 0.48 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1t3t n PHE 353 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1t3t n GLY 354 N 1.44 -2.26 3.61 1.37 0.00 -1.26 -5.05 105.19 103.03 1t3t n GLY 354 Ca 0.19 -1.52 -0.03 0.00 0.00 0.00 0.00 46.02 44.65 1t3t n GLY 354 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t3t s LYS 355 N -0.60 0.55 0.45 1.61 -2.85 -1.26 -5.14 119.74 112.50 1t3t s LYS 355 Ca 0.00 -0.25 -0.25 0.00 -1.00 0.00 0.00 55.97 54.47 1t3t s LYS 355 Cb 0.00 0.22 -0.08 0.00 -2.06 0.00 0.00 37.83 35.91 1t3t s LYS 355 CO 0.00 -0.25 1.30 -2.14 0.10 0.00 0.00 175.35 174.37 1t3t s PRO 356 N -2.67 3.74 0.37 1.78 0.02 -1.26 -4.91 135.00 132.07 1t3t s PRO 356 Ca 0.10 2.14 0.09 0.00 0.02 0.00 0.00 61.00 63.35 1t3t s PRO 356 Cb 0.01 -2.59 0.73 0.00 0.02 0.00 0.00 34.50 32.67 1t3t s PRO 356 CO -0.04 -0.67 1.89 0.93 -0.33 0.00 0.00 177.00 178.77 1t3t h GLU 357 N 2.30 0.26 0.00 5.54 4.39 -1.97 -3.06 114.58 122.04 1t3t h GLU 357 Ca -0.50 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.13 1t3t h GLU 357 Cb 1.26 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1t3t h GLU 357 CO 0.61 0.42 0.00 2.89 -1.16 0.00 0.00 179.01 181.77 1t3t n ARG 358 N -4.25 0.10 -4.27 2.33 0.00 -1.26 -4.81 116.66 104.50 1t3t n ARG 358 Ca -0.01 0.31 -0.24 0.00 -0.00 0.00 0.00 57.85 57.91 1t3t n ARG 358 Cb 0.29 -1.67 -0.08 0.00 -0.00 0.00 0.00 32.46 31.00 1t3t n ARG 358 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1t3t s ILE 359 N -3.14 2.79 0.47 8.89 -4.36 -1.16 -4.78 121.20 119.91 1t3t s ILE 359 Ca 0.06 -1.90 -0.01 0.00 -0.26 0.00 0.00 60.65 58.54 1t3t s ILE 359 Cb 0.10 -2.84 -0.01 0.00 1.25 0.00 0.00 42.46 40.96 1t3t s ILE 359 CO 0.35 -0.21 0.72 0.68 0.24 0.00 0.00 174.94 176.72 1t3t s VAL 360 N -2.48 4.11 0.82 8.37 -7.23 -0.65 -4.87 120.40 118.46 1t3t s VAL 360 Ca 0.35 -0.33 -0.12 0.00 -1.81 0.00 0.00 61.98 60.07 1t3t s VAL 360 Cb -0.01 -3.54 0.09 0.00 0.56 0.00 0.00 36.38 33.47 1t3t s VAL 360 CO 0.20 -0.43 1.11 0.42 -0.31 0.00 0.00 175.10 176.10 1t3t s THR 361 N -2.64 2.75 0.19 5.32 -4.23 -1.26 -4.88 115.64 110.90 1t3t s THR 361 Ca 0.49 0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 61.13 1t3t s THR 361 Cb -0.10 -3.02 0.12 0.00 1.34 0.00 0.00 72.50 70.84 1t3t s THR 361 CO 0.40 -0.32 1.80 0.00 -0.54 0.00 0.00 174.62 175.96 1t3t h ALA 362 N -1.17 0.88 -0.91 3.99 0.00 -1.89 -1.52 119.26 118.63 1t3t h ALA 362 Ca -0.48 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1t3t h ALA 362 Cb 1.29 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1t3t h ALA 362 CO 0.61 0.40 0.56 1.25 0.00 0.00 0.00 179.25 182.07 1t3t h LEU 363 N 0.94 1.08 -0.73 0.00 5.85 -1.79 -0.63 115.31 120.03 1t3t h LEU 363 Ca 0.24 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1t3t h LEU 363 Cb 0.06 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1t3t h LEU 363 CO -0.04 0.81 0.17 -0.78 -0.34 0.00 0.00 178.44 178.27 1t3t h ASP 364 N 1.24 1.08 -0.58 1.25 1.82 -1.78 -1.52 116.42 117.93 1t3t h ASP 364 Ca 0.33 -0.23 -0.05 0.00 -0.39 0.00 0.00 57.03 56.69 1t3t h ASP 364 Cb -0.08 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 39.62 1t3t h ASP 364 CO -0.06 1.03 0.16 0.40 -1.61 0.00 0.00 179.24 179.16 1t3t h ILE 365 N 1.08 1.24 0.00 2.25 2.04 -0.72 -0.91 117.51 122.50 1t3t h ILE 365 Ca 0.22 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1t3t h ILE 365 Cb 0.37 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1t3t h ILE 365 CO 0.00 0.32 0.00 0.23 0.00 0.00 0.00 178.15 178.70 1t3t n MET 366 N -4.40 0.57 -0.09 2.37 2.81 -0.30 -0.68 117.12 117.41 1t3t n MET 366 Ca 0.03 0.01 -0.11 0.00 -1.81 0.00 0.00 57.70 55.82 1t3t n MET 366 Cb 0.22 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.19 1t3t n MET 366 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1t3t n THR 367 N -1.20 1.49 0.06 2.03 -1.04 -0.60 -4.56 114.28 110.46 1t3t n THR 367 Ca 0.16 0.08 -0.14 0.00 -2.04 0.00 0.00 64.05 62.12 1t3t n THR 367 Cb 0.19 -2.28 -0.14 0.00 -1.82 0.00 0.00 70.33 66.28 1t3t n THR 367 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1t3t h GLU 368 N -1.00 0.17 0.64 -2.82 4.39 -1.27 -3.37 114.58 111.33 1t3t h GLU 368 Ca -0.11 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.27 1t3t h GLU 368 Cb 0.98 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1t3t h GLU 368 CO -0.07 1.05 -0.40 0.78 -1.16 0.00 0.00 179.01 179.21 1t3t h GLY 369 N 2.13 -1.08 0.90 -3.84 0.00 -1.05 -1.64 103.07 98.50 1t3t h GLY 369 Ca -0.17 0.45 0.11 0.00 0.00 0.00 0.00 47.33 47.71 1t3t h GLY 369 CO 0.16 -0.38 0.47 -2.55 0.00 0.00 0.00 176.54 174.23 1t3t h PRO 370 N -0.99 0.53 -0.28 4.80 0.11 -1.76 -0.90 132.00 133.51 1t3t h PRO 370 Ca -0.08 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.87 1t3t h PRO 370 Cb 0.80 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 1t3t h PRO 370 CO 0.08 0.35 -0.37 -0.07 -0.21 0.00 0.00 178.00 177.78 1t3t h LEU 371 N 0.54 0.66 -0.15 2.35 3.38 -1.67 -0.59 115.31 119.83 1t3t h LEU 371 Ca 0.33 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1t3t h LEU 371 Cb 0.55 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1t3t h LEU 371 CO -0.11 0.97 -0.08 1.23 0.09 0.00 0.00 178.44 180.53 1t3t h GLY 372 N 1.01 0.36 1.00 0.83 0.00 -0.21 0.90 103.07 106.96 1t3t h GLY 372 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1t3t h GLY 372 CO 0.08 0.30 0.39 -1.33 0.00 0.00 0.00 176.54 175.98 1t3t h GLY 373 N -0.01 0.89 1.68 4.60 0.00 -1.18 -2.02 103.07 107.03 1t3t h GLY 373 Ca 0.03 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 1t3t h GLY 373 CO 0.02 0.34 -0.41 0.00 0.00 0.00 0.00 176.54 176.49 1t3t h ALA 374 N 1.21 1.01 -0.74 3.60 0.00 -1.09 -2.26 119.26 120.99 1t3t h ALA 374 Ca 0.23 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1t3t h ALA 374 Cb -0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1t3t h ALA 374 CO -0.05 0.61 0.49 0.00 0.00 0.00 0.00 179.25 180.30 1t3t h ALA 375 N 1.27 0.94 -0.12 0.00 0.00 -0.23 0.22 119.26 121.34 1t3t h ALA 375 Ca 0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1t3t h ALA 375 Cb 0.85 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1t3t h ALA 375 CO 0.07 0.36 -0.16 0.35 0.00 0.00 0.00 179.25 179.87 1t3t h PHE 376 N 1.01 0.40 -0.75 0.00 3.57 -1.19 -1.96 116.94 118.02 1t3t h PHE 376 Ca 0.27 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1t3t h PHE 376 Cb -0.11 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 1t3t h PHE 376 CO -0.02 0.76 0.34 -0.91 -2.23 0.00 0.00 178.31 176.26 1t3t h ASN 377 N -0.08 0.99 0.02 0.41 2.35 -1.23 0.55 115.58 118.59 1t3t h ASN 377 Ca 0.01 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1t3t h ASN 377 Cb 0.71 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1t3t h ASN 377 CO 0.04 0.85 -0.01 0.78 -1.65 0.00 0.00 177.43 177.44 1t3t h ASN 378 N 1.07 -0.02 -0.40 5.81 2.35 -0.59 -0.31 115.58 123.50 1t3t h ASN 378 Ca 0.26 -0.44 -0.13 0.00 -0.55 0.00 0.00 56.30 55.44 1t3t h ASN 378 Cb 0.13 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1t3t h ASN 378 CO -0.03 0.43 -0.24 -0.08 -1.65 0.00 0.00 177.43 175.86 1t3t h GLU 379 N -0.48 0.91 -0.28 0.81 4.81 -1.30 -3.08 114.58 115.97 1t3t h GLU 379 Ca -0.00 -0.39 -0.13 0.00 -0.13 0.00 0.00 59.36 58.71 1t3t h GLU 379 Cb 0.46 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1t3t h GLU 379 CO 0.00 1.05 -0.33 0.35 -0.73 0.00 0.00 179.01 179.35 1t3t h PHE 380 N 0.78 0.87 0.00 0.92 3.57 -0.96 -3.43 116.94 118.69 1t3t h PHE 380 Ca 0.10 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1t3t h PHE 380 Cb 0.80 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.36 1t3t h PHE 380 CO 0.05 1.04 0.00 0.41 -2.23 0.00 0.00 178.31 177.58 1t3t n GLY 381 N 0.22 0.68 2.82 2.40 0.00 -0.24 -4.82 105.19 106.26 1t3t n GLY 381 Ca -0.04 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 1t3t n GLY 381 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t3t s ARG 382 N -0.19 0.03 0.34 1.61 1.04 -0.53 -4.87 118.95 116.37 1t3t s ARG 382 Ca 0.00 0.10 -0.27 0.00 -1.04 0.00 0.00 55.73 54.52 1t3t s ARG 382 Cb 0.00 -0.19 -0.09 0.00 -2.04 0.00 0.00 34.95 32.63 1t3t s ARG 382 CO 0.00 -0.10 1.12 -1.25 -0.04 0.00 0.00 175.30 175.03 1t3t s PRO 383 N 0.64 4.37 -0.43 3.89 0.04 -1.26 -4.50 135.00 137.76 1t3t s PRO 383 Ca -0.06 1.77 -0.12 0.00 0.04 0.00 0.00 61.00 62.64 1t3t s PRO 383 Cb -0.08 -2.91 0.06 0.00 0.04 0.00 0.00 34.50 31.62 1t3t s PRO 383 CO -0.02 -0.02 0.29 0.00 0.04 0.00 0.00 177.00 177.30 1t3t s ALA 384 N -1.34 3.38 -0.88 8.56 0.00 -0.63 -0.06 121.76 130.79 1t3t s ALA 384 Ca 0.51 -2.04 0.15 0.00 0.00 0.00 0.00 51.96 50.57 1t3t s ALA 384 Cb -0.30 -2.78 -0.12 0.00 0.00 0.00 0.00 23.12 19.93 1t3t s ALA 384 CO 0.38 -1.62 0.67 1.28 0.00 0.00 0.00 175.76 176.47 1t3t n LEU 385 N 5.03 0.92 -3.52 0.00 4.77 -0.53 -4.73 117.00 118.94 1t3t n LEU 385 Ca -0.11 -0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 55.20 1t3t n LEU 385 Cb 0.44 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1t3t n LEU 385 CO 0.41 0.21 0.47 0.28 -1.33 0.00 0.00 177.39 177.42 1t3t s THR 386 N -2.23 0.00 -1.54 -5.08 -1.32 -1.25 -3.95 115.64 100.27 1t3t s THR 386 Ca 0.07 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1t3t s THR 386 Cb 0.11 -1.22 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 1t3t s THR 386 CO 0.54 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.56 1t3t n GLY 387 N -0.38 -1.41 3.17 6.08 0.00 -1.26 -1.49 105.19 109.90 1t3t n GLY 387 Ca -0.13 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 1t3t n GLY 387 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1t3t s TYR 388 N -2.66 0.38 -0.23 1.61 -0.85 -0.81 -4.95 117.35 109.84 1t3t s TYR 388 Ca 0.00 -0.84 -0.04 0.00 -0.52 0.00 0.00 57.07 55.67 1t3t s TYR 388 Cb 0.00 -0.22 0.12 0.00 0.38 0.00 0.00 41.96 42.24 1t3t s TYR 388 CO 0.00 -0.50 0.37 0.12 -1.52 0.00 0.00 175.55 174.03 1t3t s PHE 389 N -3.91 -0.77 -0.01 -3.49 5.36 -1.26 -1.86 117.98 112.04 1t3t s PHE 389 Ca 0.09 0.95 0.07 0.00 -0.96 0.00 0.00 56.93 57.07 1t3t s PHE 389 Cb 0.06 0.06 -0.02 0.00 -0.34 0.00 0.00 43.02 42.78 1t3t s PHE 389 CO -0.08 -0.65 -0.21 0.50 -1.46 0.00 0.00 175.22 173.31 1t3t s ARG 390 N 2.54 1.71 -0.08 10.12 3.52 -0.19 -4.06 118.95 132.51 1t3t s ARG 390 Ca 0.09 -0.78 0.03 0.00 -0.13 0.00 0.00 55.73 54.94 1t3t s ARG 390 Cb -0.15 -1.67 -0.02 0.00 -1.56 0.00 0.00 34.95 31.56 1t3t s ARG 390 CO -0.15 0.46 -0.18 0.95 -0.81 0.00 0.00 175.30 175.57 1t3t s THR 391 N -0.53 2.66 -0.27 4.11 -4.23 -1.26 -1.59 115.64 114.53 1t3t s THR 391 Ca 0.08 -0.83 -0.12 0.00 -1.18 0.00 0.00 61.69 59.64 1t3t s THR 391 Cb -0.08 -2.05 0.10 0.00 1.34 0.00 0.00 72.50 71.81 1t3t s THR 391 CO -0.01 0.56 0.63 -0.47 -0.54 0.00 0.00 174.62 174.79 1t3t s TYR 392 N -0.08 -1.13 -0.30 3.99 5.04 -0.35 -4.85 117.35 119.67 1t3t s TYR 392 Ca -0.04 2.11 -0.01 0.00 -2.44 0.00 0.00 57.07 56.69 1t3t s TYR 392 Cb -0.14 0.66 0.19 0.00 0.35 0.00 0.00 41.96 43.02 1t3t s TYR 392 CO 0.04 -0.57 0.66 -2.00 -1.34 0.00 0.00 175.55 172.34 1t3t s GLU 393 N 2.26 0.51 -0.02 4.97 2.12 -1.25 -3.10 118.70 124.19 1t3t s GLU 393 Ca -0.07 0.80 -0.26 0.00 0.36 0.00 0.00 54.97 55.80 1t3t s GLU 393 Cb -0.09 0.43 0.06 0.00 0.26 0.00 0.00 34.13 34.79 1t3t s GLU 393 CO -0.18 -0.65 0.57 -2.00 -0.54 0.00 0.00 175.26 172.46 1t3t s GLU 394 N 2.87 0.98 -0.46 4.30 2.56 -0.53 -4.82 118.70 123.60 1t3t s GLU 394 Ca 0.16 0.05 -0.24 0.00 0.00 0.00 0.00 54.97 54.94 1t3t s GLU 394 Cb -0.13 0.46 0.03 0.00 2.00 0.00 0.00 34.13 36.49 1t3t s GLU 394 CO -0.21 -0.32 0.85 0.21 -0.56 0.00 0.00 175.26 175.23 1t3t s LYS 395 N -1.54 3.45 0.09 4.30 2.20 -1.26 -1.25 119.74 125.73 1t3t s LYS 395 Ca -0.10 -0.01 0.07 0.00 -0.36 0.00 0.00 55.97 55.58 1t3t s LYS 395 Cb -0.01 -3.94 -0.03 0.00 -1.51 0.00 0.00 37.83 32.34 1t3t s LYS 395 CO 0.06 -1.17 -0.19 0.08 -0.36 0.00 0.00 175.35 173.76 1t3t s VAL 396 N 3.50 1.56 -1.13 4.02 1.01 -0.13 -4.91 120.40 124.32 1t3t s VAL 396 Ca 0.33 -1.48 -0.16 0.00 0.00 0.00 0.00 61.98 60.66 1t3t s VAL 396 Cb -0.11 -1.44 0.14 0.00 0.00 0.00 0.00 36.38 34.97 1t3t s VAL 396 CO 0.24 -0.10 1.37 0.21 0.00 0.00 0.00 175.10 176.82 1t3t s ASN 397 N -1.87 6.89 0.00 3.32 2.47 -1.26 -1.28 114.94 123.22 1t3t s ASN 397 Ca 0.04 -2.59 0.00 0.00 0.42 0.00 0.00 52.86 50.73 1t3t s ASN 397 Cb -0.10 -2.43 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 1t3t s ASN 397 CO 0.04 -0.92 0.00 -0.24 -3.72 0.00 0.00 177.10 172.26 1t3t n SER 398 N 6.33 0.00 -0.20 -4.21 2.88 -0.58 -4.71 113.62 113.13 1t3t n SER 398 Ca 0.34 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.97 1t3t n SER 398 Cb 0.45 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.30 1t3t n SER 398 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1t3t h HIS 399 N 0.00 0.73 -0.83 0.66 3.86 -1.91 -0.94 115.15 116.72 1t3t h HIS 399 Ca 0.00 0.02 -0.35 0.00 -1.16 0.00 0.00 60.37 58.88 1t3t h HIS 399 Cb 0.00 -0.24 -0.21 0.00 1.06 0.00 0.00 27.41 28.02 1t3t h HIS 399 CO 0.00 0.34 0.43 -1.71 0.86 0.00 0.00 177.93 177.85 1t3t n ASN 400 N -4.50 4.20 0.00 2.45 5.15 -1.26 -4.50 115.26 116.80 1t3t n ASN 400 Ca 0.13 -3.43 0.00 0.00 -0.60 0.00 0.00 54.58 50.67 1t3t n ASN 400 Cb 0.33 -0.78 0.00 0.00 -0.53 0.00 0.00 39.78 38.80 1t3t n ASN 400 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1t3t n GLY 401 N -0.67 -1.60 3.63 8.20 0.00 -0.36 -4.79 105.19 109.60 1t3t n GLY 401 Ca 0.49 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 1t3t n GLY 401 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1t3t s GLU 402 N 0.00 3.86 0.19 1.61 2.12 -1.26 -1.53 118.70 123.70 1t3t s GLU 402 Ca 0.00 1.60 -0.10 0.00 0.36 0.00 0.00 54.97 56.83 1t3t s GLU 402 Cb 0.00 -3.98 -0.01 0.00 0.26 0.00 0.00 34.13 30.40 1t3t s GLU 402 CO 0.00 -1.20 0.34 -1.21 -0.54 0.00 0.00 175.26 172.65 1t3t s GLU 403 N 4.47 1.28 -0.18 4.30 2.02 -0.40 -4.96 118.70 125.23 1t3t s GLU 403 Ca 0.67 -1.20 -0.21 0.00 0.02 0.00 0.00 54.97 54.25 1t3t s GLU 403 Cb -0.23 0.41 -0.03 0.00 0.10 0.00 0.00 34.13 34.38 1t3t s GLU 403 CO 0.27 -0.49 0.66 -0.51 0.02 0.00 0.00 175.26 175.21 1t3t s LEU 404 N -2.99 4.17 -0.09 1.80 1.43 -1.26 -0.96 118.68 120.78 1t3t s LEU 404 Ca 0.19 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 54.23 1t3t s LEU 404 Cb 0.02 -2.94 0.01 0.00 0.03 0.00 0.00 46.19 43.31 1t3t s LEU 404 CO 0.03 -0.27 -0.18 -0.13 0.23 0.00 0.00 176.35 176.03 1t3t s ARG 405 N 1.81 2.46 0.00 1.70 1.81 -0.38 -2.29 118.95 124.06 1t3t s ARG 405 Ca 0.31 -0.67 0.00 0.00 -1.72 0.00 0.00 55.73 53.65 1t3t s ARG 405 Cb -0.16 -1.95 0.00 0.00 -0.45 0.00 0.00 34.95 32.39 1t3t s ARG 405 CO 0.11 0.07 0.00 0.41 -0.68 0.00 0.00 175.30 175.21 1t3t n GLY 406 N 3.78 1.10 2.61 -3.53 0.00 -0.84 -1.45 105.19 106.86 1t3t n GLY 406 Ca -0.20 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 1t3t n GLY 406 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1t3t n TYR 407 N 0.00 2.50 -0.25 1.61 4.01 -1.18 -3.05 117.16 120.80 1t3t n TYR 407 Ca 0.00 -3.61 -0.02 0.00 -0.16 0.00 0.00 57.90 54.11 1t3t n TYR 407 Cb 0.00 -0.37 0.17 0.00 -0.31 0.00 0.00 39.34 38.83 1t3t n TYR 407 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1t3t h HIS 408 N 2.91 1.05 -3.61 -0.72 3.86 -1.91 -3.13 115.15 113.59 1t3t h HIS 408 Ca 0.12 -0.02 -0.66 0.00 -1.16 0.00 0.00 60.37 58.66 1t3t h HIS 408 Cb 0.80 -0.34 -0.16 0.00 1.06 0.00 0.00 27.41 28.78 1t3t h HIS 408 CO 0.69 0.73 -0.13 0.21 0.86 0.00 0.00 177.93 180.29 1t3t s LYS 409 N -5.71 3.52 0.78 2.45 2.20 -1.26 -4.90 119.74 116.81 1t3t s LYS 409 Ca -0.11 -0.32 -0.11 0.00 -0.36 0.00 0.00 55.97 55.07 1t3t s LYS 409 Cb 0.17 -3.84 0.07 0.00 -1.51 0.00 0.00 37.83 32.72 1t3t s LYS 409 CO 0.80 -0.66 1.13 -1.25 -0.36 0.00 0.00 175.35 175.02 1t3t s PRO 410 N 2.28 2.10 -0.25 4.03 0.04 -1.19 -4.90 135.00 137.11 1t3t s PRO 410 Ca 0.16 0.06 -0.08 0.00 0.04 0.00 0.00 61.00 61.17 1t3t s PRO 410 Cb -0.16 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1t3t s PRO 410 CO 0.13 -1.46 0.11 0.42 0.04 0.00 0.00 177.00 176.24 1t3t s ILE 411 N -3.48 4.65 -0.30 0.56 1.01 -0.47 -4.48 121.20 118.69 1t3t s ILE 411 Ca 0.61 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 61.23 1t3t s ILE 411 Cb -0.11 -3.18 0.08 0.00 0.01 0.00 0.00 42.46 39.26 1t3t s ILE 411 CO 0.48 0.32 0.00 -0.32 0.00 0.00 0.00 174.94 175.42 1t3t s MET 412 N 1.56 1.62 -0.08 2.79 1.75 -1.26 -1.44 119.30 124.23 1t3t s MET 412 Ca 0.06 -1.55 -0.00 0.00 -1.25 0.00 0.00 55.69 52.95 1t3t s MET 412 Cb -0.15 -2.93 -0.03 0.00 2.84 0.00 0.00 34.83 34.56 1t3t s MET 412 CO 0.06 -0.81 -0.05 -1.17 -0.65 0.00 0.00 175.02 172.40 1t3t s LEU 413 N 1.08 3.29 -0.05 4.11 0.20 0.44 -0.99 118.68 126.77 1t3t s LEU 413 Ca 0.04 0.02 -0.02 0.00 0.69 0.00 0.00 54.13 54.85 1t3t s LEU 413 Cb -0.19 -1.73 0.03 0.00 -0.43 0.00 0.00 46.19 43.86 1t3t s LEU 413 CO -0.09 0.35 0.10 0.00 -0.29 0.00 0.00 176.35 176.43 1t3t s ALA 414 N -0.74 -0.17 0.01 5.97 0.00 -0.22 -0.28 121.76 126.32 1t3t s ALA 414 Ca 0.11 0.46 -0.00 0.00 0.00 0.00 0.00 51.96 52.54 1t3t s ALA 414 Cb -0.11 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1t3t s ALA 414 CO 0.02 -0.11 0.01 0.41 0.00 0.00 0.00 175.76 176.09 1t3t n GLY 415 N 3.86 2.60 0.00 0.00 0.00 -0.77 -0.24 105.19 110.64 1t3t n GLY 415 Ca -0.23 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1t3t n GLY 415 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t3t n GLY 416 N -0.01 -0.84 3.47 -0.02 0.00 -0.39 -0.82 105.19 106.58 1t3t n GLY 416 Ca -0.00 -1.23 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 1t3t n GLY 416 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1t3t s ILE 417 N -2.00 2.41 0.28 -0.61 -4.36 0.10 -2.38 121.20 114.64 1t3t s ILE 417 Ca 0.00 -2.37 -0.09 0.00 -0.26 0.00 0.00 60.65 57.93 1t3t s ILE 417 Cb 0.00 -2.33 -0.00 0.00 1.25 0.00 0.00 42.46 41.37 1t3t s ILE 417 CO 0.00 -0.38 0.46 -0.83 0.24 0.00 0.00 174.94 174.42 1t3t s GLY 418 N -3.51 0.91 0.08 6.27 0.00 -0.77 0.02 107.32 110.32 1t3t s GLY 418 Ca 0.30 -1.15 0.08 0.00 0.00 0.00 0.00 44.72 43.95 1t3t s GLY 418 CO 0.15 -0.80 -0.19 -1.31 0.00 0.00 0.00 173.10 170.95 1t3t s ASN 419 N -3.10 3.79 -0.01 1.64 0.01 -0.14 -1.08 114.94 116.06 1t3t s ASN 419 Ca 0.26 -0.50 -0.07 0.00 -0.71 0.00 0.00 52.86 51.84 1t3t s ASN 419 Cb -0.00 -0.55 0.00 0.00 0.41 0.00 0.00 41.25 41.11 1t3t s ASN 419 CO 0.13 0.22 0.14 -0.51 -1.51 0.00 0.00 177.10 175.57 1t3t s ILE 420 N -1.02 0.07 0.34 0.60 2.07 -0.40 -1.60 121.20 121.26 1t3t s ILE 420 Ca 0.16 -0.59 -0.26 0.00 -1.41 0.00 0.00 60.65 58.55 1t3t s ILE 420 Cb -0.10 -0.40 -0.10 0.00 0.13 0.00 0.00 42.46 41.99 1t3t s ILE 420 CO 0.07 -0.32 0.99 -0.13 -1.91 0.00 0.00 174.94 173.64 1t3t s ARG 421 N -1.17 4.46 0.22 3.50 0.52 -1.26 -1.98 118.95 123.25 1t3t s ARG 421 Ca -0.13 1.44 -0.09 0.00 -0.52 0.00 0.00 55.73 56.44 1t3t s ARG 421 Cb -0.07 -2.76 0.33 0.00 0.52 0.00 0.00 34.95 32.97 1t3t s ARG 421 CO 0.01 0.14 1.71 0.00 0.02 0.00 0.00 175.30 177.19 1t3t h ALA 422 N 3.04 0.78 0.00 2.13 0.00 -1.98 -1.06 119.26 122.17 1t3t h ALA 422 Ca -0.47 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1t3t h ALA 422 Cb 1.20 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1t3t h ALA 422 CO 0.64 -0.28 0.00 -0.25 0.00 0.00 0.00 179.25 179.36 1t3t n ASP 423 N -5.10 0.00 -0.60 0.00 8.00 -1.26 -2.94 116.55 114.65 1t3t n ASP 423 Ca 0.10 -0.22 0.07 0.00 0.71 0.00 0.00 54.79 55.45 1t3t n ASP 423 Cb 0.34 -0.21 0.10 0.00 -0.02 0.00 0.00 41.12 41.32 1t3t n ASP 423 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1t3t n HIS 424 N -1.21 0.20 -0.11 1.24 8.25 -0.41 -4.64 115.22 118.53 1t3t n HIS 424 Ca 0.13 -0.18 -0.11 0.00 -0.26 0.00 0.00 57.72 57.29 1t3t n HIS 424 Cb 0.16 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 1t3t n HIS 424 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1t3t h VAL 425 N 2.49 1.26 -3.36 1.59 2.07 -1.41 0.30 116.25 119.19 1t3t h VAL 425 Ca 0.00 -0.99 -0.56 0.00 0.82 0.00 0.00 66.70 65.98 1t3t h VAL 425 Cb 0.63 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1t3t h VAL 425 CO 0.00 0.32 0.06 -1.10 0.02 0.00 0.00 177.57 176.88 1t3t s GLN 426 N -4.95 4.38 0.40 1.57 -1.52 -1.26 -4.02 119.66 114.25 1t3t s GLN 426 Ca -0.13 0.90 -0.27 0.00 -1.95 0.00 0.00 55.36 53.91 1t3t s GLN 426 Cb 0.09 -3.30 -0.09 0.00 -0.22 0.00 0.00 33.01 29.48 1t3t s GLN 426 CO 0.77 0.46 1.36 0.15 -0.25 0.00 0.00 175.29 177.79 1t3t s LYS 427 N -0.61 3.99 0.56 2.91 -0.14 -1.26 -4.48 119.74 120.72 1t3t s LYS 427 Ca 0.33 2.29 -0.04 0.00 -1.36 0.00 0.00 55.97 57.19 1t3t s LYS 427 Cb -0.20 -2.82 0.01 0.00 -1.68 0.00 0.00 37.83 33.14 1t3t s LYS 427 CO 0.21 -0.52 0.84 0.20 -0.76 0.00 0.00 175.35 175.32 1t3t s GLY 428 N -0.55 1.62 0.32 -3.33 0.00 -0.86 -5.06 107.32 99.46 1t3t s GLY 428 Ca 0.56 -0.86 -0.27 0.00 0.00 0.00 0.00 44.72 44.14 1t3t s GLY 428 CO 0.53 -0.60 1.05 -1.83 0.00 0.00 0.00 173.10 172.25 1t3t s GLU 429 N -4.89 4.51 -0.38 2.90 1.03 -1.26 -4.71 118.70 115.89 1t3t s GLU 429 Ca 0.53 1.62 -0.18 0.00 0.03 0.00 0.00 54.97 56.97 1t3t s GLU 429 Cb -0.10 -2.95 0.01 0.00 -0.80 0.00 0.00 34.13 30.28 1t3t s GLU 429 CO 0.43 0.14 0.51 0.42 -1.33 0.00 0.00 175.26 175.43 1t3t s ILE 430 N -1.37 5.00 0.49 1.83 1.01 -1.26 -4.90 121.20 121.99 1t3t s ILE 430 Ca 0.49 0.11 -0.20 0.00 0.00 0.00 0.00 60.65 61.04 1t3t s ILE 430 Cb -0.27 -4.02 -0.08 0.00 0.01 0.00 0.00 42.46 38.10 1t3t s ILE 430 CO 0.34 -0.34 1.05 0.54 0.00 0.00 0.00 174.94 176.54 1t3t s VAL 431 N 2.40 3.68 0.24 2.92 0.11 -1.26 -4.92 120.40 123.57 1t3t s VAL 431 Ca 0.17 1.07 -0.30 0.00 -2.93 0.00 0.00 61.98 59.99 1t3t s VAL 431 Cb -0.16 -3.44 -0.10 0.00 -1.53 0.00 0.00 36.38 31.15 1t3t s VAL 431 CO 0.14 -0.21 1.41 -0.69 -3.33 0.00 0.00 175.10 172.43 1t3t s VAL 432 N -1.92 2.78 0.00 2.04 1.01 -1.26 -2.11 120.40 120.94 1t3t s VAL 432 Ca 0.67 0.65 0.00 0.00 0.00 0.00 0.00 61.98 63.30 1t3t s VAL 432 Cb -0.18 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1t3t s VAL 432 CO 0.22 0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1t3t n GLY 433 N 2.25 0.68 3.72 4.51 0.00 0.38 -4.98 105.19 111.76 1t3t n GLY 433 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1t3t n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3t n ALA 434 N -1.43 1.56 -2.69 4.61 0.00 -0.90 -4.58 120.51 117.08 1t3t n ALA 434 Ca 0.00 0.28 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 1t3t n ALA 434 Cb 0.00 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.11 1t3t n ALA 434 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1t3t s LYS 435 N -2.22 4.42 -0.34 0.00 -0.14 0.95 -1.25 119.74 121.16 1t3t s LYS 435 Ca 0.60 1.30 -0.15 0.00 -1.36 0.00 0.00 55.97 56.36 1t3t s LYS 435 Cb -0.50 -3.53 -0.01 0.00 -1.68 0.00 0.00 37.83 32.11 1t3t s LYS 435 CO 0.59 -0.27 0.34 -0.51 -0.76 0.00 0.00 175.35 174.74 1t3t s LEU 436 N 1.85 4.45 0.11 3.17 1.43 -0.30 -1.14 118.68 128.25 1t3t s LEU 436 Ca 0.46 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 53.39 1t3t s LEU 436 Cb -0.18 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 1t3t s LEU 436 CO 0.18 -0.32 -0.16 -0.63 0.23 0.00 0.00 176.35 175.66 1t3t s ILE 437 N 1.97 3.00 -0.28 -0.59 1.01 0.45 -0.66 121.20 126.11 1t3t s ILE 437 Ca 0.11 -1.40 -0.05 0.00 0.00 0.00 0.00 60.65 59.31 1t3t s ILE 437 Cb -0.17 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 39.94 1t3t s ILE 437 CO 0.11 0.13 0.02 -0.69 0.00 0.00 0.00 174.94 174.51 1t3t s VAL 438 N -1.15 3.49 -0.22 2.92 1.01 -0.63 -0.97 120.40 124.85 1t3t s VAL 438 Ca 0.19 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 1t3t s VAL 438 Cb -0.11 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1t3t s VAL 438 CO 0.11 0.12 0.13 -0.22 0.00 0.00 0.00 175.10 175.24 1t3t s LEU 439 N 1.42 4.07 0.00 3.92 2.96 0.79 -2.05 118.68 129.79 1t3t s LEU 439 Ca 0.01 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1t3t s LEU 439 Cb -0.17 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.45 1t3t s LEU 439 CO -0.00 0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.74 1t3t n GLY 440 N 4.00 0.80 3.76 7.98 0.00 -0.40 0.08 105.19 121.41 1t3t n GLY 440 Ca -0.16 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.48 1t3t n GLY 440 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t3t s GLY 441 N 0.00 2.01 0.51 -0.02 0.00 -1.12 -4.48 107.32 104.22 1t3t s GLY 441 Ca 0.00 0.49 -0.23 0.00 0.00 0.00 0.00 44.72 44.98 1t3t s GLY 441 CO 0.00 0.84 1.35 -4.14 0.00 0.00 0.00 173.10 171.15 1t3t s PRO 442 N -4.34 3.33 0.50 2.90 0.02 -1.26 -4.90 135.00 131.25 1t3t s PRO 442 Ca 0.66 2.22 -0.19 0.00 0.02 0.00 0.00 61.00 63.71 1t3t s PRO 442 Cb -0.20 -2.36 -0.08 0.00 0.02 0.00 0.00 34.50 31.87 1t3t s PRO 442 CO 0.47 -1.03 1.01 0.00 -0.33 0.00 0.00 177.00 177.12 1t3t s ALA 443 N -1.31 2.92 0.17 -1.55 0.00 0.01 -4.62 121.76 117.39 1t3t s ALA 443 Ca 0.68 0.45 -0.03 0.00 0.00 0.00 0.00 51.96 53.06 1t3t s ALA 443 Cb -0.40 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1t3t s ALA 443 CO 0.48 -0.28 0.14 -1.64 0.00 0.00 0.00 175.76 174.46 1t3t s MET 444 N -3.52 1.12 -1.16 0.00 -1.94 -1.26 -0.85 119.30 111.70 1t3t s MET 444 Ca 0.64 -1.49 -0.19 0.00 -1.71 0.00 0.00 55.69 52.94 1t3t s MET 444 Cb -0.13 0.29 0.09 0.00 2.01 0.00 0.00 34.83 37.08 1t3t s MET 444 CO 0.23 -0.36 1.52 1.21 -0.01 0.00 0.00 175.02 177.61 1t3t s ASN 445 N -3.09 6.76 -0.05 3.03 3.04 -1.26 -4.54 114.94 118.83 1t3t s ASN 445 Ca 0.30 -2.23 0.06 0.00 0.04 0.00 0.00 52.86 51.03 1t3t s ASN 445 Cb 0.06 -2.52 -0.08 0.00 -1.54 0.00 0.00 41.25 37.17 1t3t s ASN 445 CO 0.07 -1.17 0.05 -0.38 -3.04 0.00 0.00 177.10 172.63 1t3t n ILE 446 N 6.07 0.33 -0.28 -5.21 5.41 -1.26 -5.04 119.36 119.38 1t3t n ILE 446 Ca 0.39 -0.24 -0.06 0.00 1.00 0.00 0.00 62.75 63.84 1t3t n ILE 446 Cb 0.47 -0.56 -0.02 0.00 -0.71 0.00 0.00 39.64 38.82 1t3t n ILE 446 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1t3t n GLY 447 N 2.50 1.91 0.00 7.39 0.00 -1.26 -4.60 105.19 111.13 1t3t n GLY 447 Ca -0.08 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1t3t n GLY 447 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1t3t n PHE 467 N 3.82 0.00 0.35 1.61 3.72 -1.26 -4.67 117.46 121.03 1t3t n PHE 467 Ca 0.15 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.69 1t3t n PHE 467 Cb 0.13 0.00 0.54 0.00 -0.94 0.00 0.00 39.48 39.22 1t3t n PHE 467 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1t3t h ALA 468 N 0.00 1.00 -0.13 4.37 0.00 -1.98 -2.65 119.26 119.87 1t3t h ALA 468 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1t3t h ALA 468 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1t3t h ALA 468 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.68 1t3t n SER 469 N -2.67 2.82 -4.55 0.00 7.64 -1.26 -4.85 113.62 110.75 1t3t n SER 469 Ca 0.02 -1.91 -0.42 0.00 1.01 0.00 0.00 58.87 57.56 1t3t n SER 469 Cb 0.30 -0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.37 1t3t n SER 469 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1t3t s VAL 470 N -1.86 4.77 0.53 0.44 1.01 -1.00 -4.62 120.40 119.67 1t3t s VAL 470 Ca 0.32 0.49 -0.04 0.00 0.00 0.00 0.00 61.98 62.75 1t3t s VAL 470 Cb 0.21 -4.20 0.11 0.00 0.00 0.00 0.00 36.38 32.49 1t3t s VAL 470 CO 0.31 -0.52 0.72 0.00 0.00 0.00 0.00 175.10 175.61 1t3t n GLN 471 N 6.37 -0.20 -3.70 2.72 1.13 -1.26 -4.97 117.38 117.48 1t3t n GLN 471 Ca 0.01 -1.62 -0.11 0.00 -1.94 0.00 0.00 57.00 53.34 1t3t n GLN 471 Cb 0.48 -0.59 -0.11 0.00 0.11 0.00 0.00 30.24 30.13 1t3t n GLN 471 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1t3t s ARG 472 N -4.41 0.38 -0.05 -1.09 3.52 -1.26 -4.79 118.95 111.25 1t3t s ARG 472 Ca 0.45 0.77 0.06 0.00 -0.13 0.00 0.00 55.73 56.88 1t3t s ARG 472 Cb -0.02 -0.03 -0.01 0.00 -1.56 0.00 0.00 34.95 33.33 1t3t s ARG 472 CO 0.31 -0.16 -0.25 0.16 -0.81 0.00 0.00 175.30 174.55 1t3t s ASP 473 N 1.40 3.09 -0.44 -2.12 -4.77 -1.26 -4.55 116.67 108.02 1t3t s ASP 473 Ca -0.09 -0.50 0.03 0.00 -3.30 0.00 0.00 52.55 48.68 1t3t s ASP 473 Cb -0.09 -0.80 0.16 0.00 -1.09 0.00 0.00 42.92 41.10 1t3t s ASP 473 CO -0.12 0.25 0.32 0.21 0.70 0.00 0.00 175.17 176.53 1t3t s ASN 474 N -0.21 2.56 0.31 2.11 3.84 -1.26 -4.76 114.94 117.53 1t3t s ASN 474 Ca -0.02 -2.91 0.02 0.00 0.21 0.00 0.00 52.86 50.15 1t3t s ASN 474 Cb -0.13 -0.68 0.58 0.00 -0.55 0.00 0.00 41.25 40.46 1t3t s ASN 474 CO 0.03 -0.20 1.91 -0.65 -2.79 0.00 0.00 177.10 175.40 1t3t h PRO 475 N 6.07 0.94 -0.33 0.43 0.11 -1.91 -2.43 132.00 134.88 1t3t h PRO 475 Ca 0.16 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1t3t h PRO 475 Cb 0.90 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.78 1t3t h PRO 475 CO 0.41 0.62 0.15 1.49 -0.21 0.00 0.00 178.00 180.46 1t3t h GLU 476 N 0.97 0.45 -0.56 1.05 4.22 -1.93 -0.61 114.58 118.17 1t3t h GLU 476 Ca 0.39 -0.05 -0.09 0.00 0.08 0.00 0.00 59.36 59.69 1t3t h GLU 476 Cb 0.26 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1t3t h GLU 476 CO -0.15 0.36 -0.02 1.98 -2.18 0.00 0.00 179.01 179.00 1t3t h MET 477 N 0.45 1.00 -0.07 1.92 4.05 -1.86 -1.78 114.93 118.65 1t3t h MET 477 Ca 0.12 -0.33 -0.09 0.00 -0.28 0.00 0.00 59.70 59.11 1t3t h MET 477 Cb 0.07 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 1t3t h MET 477 CO -0.01 1.01 -0.38 1.49 0.23 0.00 0.00 176.91 179.25 1t3t h GLU 478 N 0.89 0.15 -0.39 0.39 4.81 -1.29 -2.02 114.58 117.13 1t3t h GLU 478 Ca 0.16 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1t3t h GLU 478 Cb 0.57 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1t3t h GLU 478 CO 0.03 0.51 0.02 -0.09 -0.73 0.00 0.00 179.01 178.76 1t3t h ARG 479 N 0.13 0.67 -0.98 1.92 9.65 -0.77 0.04 114.38 125.05 1t3t h ARG 479 Ca 0.01 -0.20 0.01 0.00 -1.10 0.00 0.00 59.98 58.70 1t3t h ARG 479 Cb 0.73 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 29.20 1t3t h ARG 479 CO 0.06 0.76 0.64 0.00 2.80 0.00 0.00 179.97 184.22 1t3t h ARG 480 N 0.50 1.30 -0.39 0.20 3.08 -0.95 -1.10 114.38 117.02 1t3t h ARG 480 Ca 0.11 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 1t3t h ARG 480 Cb 0.44 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1t3t h ARG 480 CO 0.02 0.87 -0.10 0.00 -1.07 0.00 0.00 179.97 179.69 1t3t h GLN 482 N 0.56 0.80 -0.53 0.00 5.75 -0.46 -1.06 115.11 120.18 1t3t h GLN 482 Ca 0.10 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 1t3t h GLN 482 Cb 0.62 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 1t3t h GLN 482 CO 0.04 0.59 0.15 0.93 -2.65 0.00 0.00 178.83 177.89 1t3t h GLU 483 N 0.81 0.79 -0.16 1.69 4.39 -1.00 0.14 114.58 121.24 1t3t h GLU 483 Ca 0.21 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 1t3t h GLU 483 Cb 0.01 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1t3t h GLU 483 CO -0.04 0.69 -0.06 0.28 -1.16 0.00 0.00 179.01 178.72 1t3t h VAL 484 N 0.77 1.30 -0.96 3.13 2.07 -1.03 -1.29 116.25 120.24 1t3t h VAL 484 Ca 0.18 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.64 1t3t h VAL 484 Cb 0.24 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 1t3t h VAL 484 CO -0.01 0.32 0.63 0.40 0.02 0.00 0.00 177.57 178.93 1t3t h ILE 485 N 0.02 1.18 -0.47 4.57 2.04 -0.87 -1.06 117.51 122.91 1t3t h ILE 485 Ca 0.04 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 1t3t h ILE 485 Cb 0.53 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1t3t h ILE 485 CO 0.02 0.22 0.21 0.44 0.00 0.00 0.00 178.15 179.05 1t3t h ASP 486 N 1.23 0.63 -0.35 1.72 3.32 -0.59 -0.91 116.42 121.46 1t3t h ASP 486 Ca 0.38 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1t3t h ASP 486 Cb -0.02 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1t3t h ASP 486 CO -0.12 0.60 0.18 0.03 -1.72 0.00 0.00 179.24 178.21 1t3t h ARG 487 N 0.62 0.55 0.23 3.56 2.47 -0.53 -0.98 114.38 120.30 1t3t h ARG 487 Ca 0.16 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 1t3t h ARG 487 Cb 0.15 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1t3t h ARG 487 CO -0.02 0.44 -0.11 0.00 0.56 0.00 0.00 179.97 180.85 1t3t h TRP 489 N -0.75 0.00 0.00 0.00 5.08 -1.12 -2.10 115.95 117.06 1t3t h TRP 489 Ca -0.03 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.94 1t3t h TRP 489 Cb 0.50 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.66 1t3t h TRP 489 CO 0.05 0.11 0.00 1.04 -1.28 0.00 0.00 178.44 178.36 1t3t n GLN 490 N -3.39 0.02 0.00 0.12 6.02 -0.38 -1.70 117.38 118.08 1t3t n GLN 490 Ca -0.01 0.14 0.14 0.00 -0.01 0.00 0.00 57.00 57.27 1t3t n GLN 490 Cb 0.29 -1.50 0.59 0.00 1.02 0.00 0.00 30.24 30.65 1t3t n GLN 490 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1t3t n LEU 491 N -1.48 1.02 0.00 1.08 4.77 -0.79 -4.87 117.00 116.74 1t3t n LEU 491 Ca 0.05 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1t3t n LEU 491 Cb 0.23 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1t3t n LEU 491 CO 0.19 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1t3t n GLY 492 N 1.18 3.52 0.17 -0.72 0.00 -0.69 -1.15 105.19 107.50 1t3t n GLY 492 Ca 0.18 0.24 0.13 0.00 0.00 0.00 0.00 46.02 46.57 1t3t n GLY 492 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1t3t h ASP 493 N 0.00 0.00 -0.36 1.61 3.32 -1.94 -1.68 116.42 117.38 1t3t h ASP 493 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1t3t h ASP 493 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1t3t h ASP 493 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1t3t n ALA 494 N -1.84 2.45 -1.60 3.45 0.00 -0.30 -4.92 120.51 117.76 1t3t n ALA 494 Ca 0.01 -0.78 -0.47 0.00 0.00 0.00 0.00 53.44 52.20 1t3t n ALA 494 Cb 0.20 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.62 1t3t n ALA 494 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1t3t n ASN 495 N 0.86 3.08 0.24 0.00 5.15 -0.63 -4.83 115.26 119.13 1t3t n ASN 495 Ca 0.17 0.63 0.17 0.00 -0.60 0.00 0.00 54.58 54.94 1t3t n ASN 495 Cb 0.43 -1.39 0.75 0.00 -0.53 0.00 0.00 39.78 39.04 1t3t n ASN 495 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1t3t h PRO 496 N 11.60 0.00 -6.42 1.20 0.11 -1.91 -3.43 132.00 133.16 1t3t h PRO 496 Ca -0.41 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.13 1t3t h PRO 496 Cb 1.28 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 1t3t h PRO 496 CO 0.97 0.00 1.04 0.42 -0.21 0.00 0.00 178.00 180.22 1t3t s ILE 497 N -3.68 3.97 -0.05 4.15 1.01 -1.26 -4.37 121.20 120.97 1t3t s ILE 497 Ca 0.00 1.05 -0.08 0.00 0.00 0.00 0.00 60.65 61.62 1t3t s ILE 497 Cb 0.10 -4.11 -0.29 0.00 0.01 0.00 0.00 42.46 38.17 1t3t s ILE 497 CO 0.44 -0.57 0.66 -0.07 0.00 0.00 0.00 174.94 175.40 1t3t h LEU 498 N 11.61 0.53 -7.16 2.97 4.07 -1.59 -3.46 115.31 122.28 1t3t h LEU 498 Ca -0.28 -0.83 -0.08 0.00 0.08 0.00 0.00 57.88 56.77 1t3t h LEU 498 Cb 1.11 -0.17 -0.22 0.00 1.08 0.00 0.00 40.66 42.46 1t3t h LEU 498 CO 1.05 1.71 -0.03 0.12 -1.08 0.00 0.00 178.44 180.21 1t3t s PHE 499 N -2.58 -0.60 -0.03 1.13 5.36 -1.23 -2.03 117.98 117.99 1t3t s PHE 499 Ca -0.15 1.41 -0.06 0.00 -0.96 0.00 0.00 56.93 57.17 1t3t s PHE 499 Cb 0.06 0.23 0.01 0.00 -0.34 0.00 0.00 43.02 42.97 1t3t s PHE 499 CO 0.84 -0.34 0.14 -1.50 -1.46 0.00 0.00 175.22 172.90 1t3t s ILE 500 N 0.04 0.04 -0.02 3.12 2.07 -1.26 -0.81 121.20 124.39 1t3t s ILE 500 Ca -0.02 -0.34 -0.14 0.00 -1.41 0.00 0.00 60.65 58.74 1t3t s ILE 500 Cb -0.04 -0.32 0.02 0.00 0.13 0.00 0.00 42.46 42.26 1t3t s ILE 500 CO 0.02 -0.19 0.29 -2.28 -1.91 0.00 0.00 174.94 170.87 1t3t s HIS 501 N -0.63 -0.16 0.52 3.50 2.46 -0.21 -4.78 115.29 115.99 1t3t s HIS 501 Ca -0.07 0.24 -0.15 0.00 0.47 0.00 0.00 55.06 55.54 1t3t s HIS 501 Cb -0.04 0.08 -0.07 0.00 -0.13 0.00 0.00 32.58 32.41 1t3t s HIS 501 CO 0.01 -0.37 0.97 0.16 -2.47 0.00 0.00 174.74 173.04 1t3t s ASP 502 N -1.27 6.56 -0.26 9.88 1.47 -1.26 -1.16 116.67 130.64 1t3t s ASP 502 Ca -0.13 1.50 -0.09 0.00 1.18 0.00 0.00 52.55 55.01 1t3t s ASP 502 Cb -0.05 -2.48 -0.04 0.00 -0.34 0.00 0.00 42.92 40.00 1t3t s ASP 502 CO 0.04 -0.60 0.13 -0.69 0.68 0.00 0.00 175.17 174.72 1t3t s VAL 503 N -2.67 4.84 0.00 2.11 1.01 -0.74 -4.79 120.40 120.16 1t3t s VAL 503 Ca 0.58 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1t3t s VAL 503 Cb -0.10 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1t3t s VAL 503 CO 0.34 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1t3t n GLY 504 N 4.85 4.04 3.70 4.51 0.00 -1.26 -4.69 105.19 116.33 1t3t n GLY 504 Ca -0.15 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 1t3t n GLY 504 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3t n ALA 505 N -3.00 1.48 0.00 4.61 0.00 -1.26 -1.03 120.51 121.31 1t3t n ALA 505 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1t3t n ALA 505 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.14 1t3t n ALA 505 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t3t n GLY 506 N 1.75 2.91 7.00 0.00 0.00 -1.26 -4.63 105.19 110.96 1t3t n GLY 506 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1t3t n GLY 506 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t3t n GLY 507 N -2.00 2.44 0.24 -0.02 0.00 -0.19 -2.38 105.19 103.28 1t3t n GLY 507 Ca 0.00 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.65 1t3t n GLY 507 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1t3t h LEU 508 N 0.00 0.00 -2.54 0.99 4.07 -1.70 -1.63 115.31 114.50 1t3t h LEU 508 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1t3t h LEU 508 Cb 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 1t3t h LEU 508 CO 0.00 0.14 -0.02 0.77 -1.08 0.00 0.00 178.44 178.26 1t3t h SER 509 N 0.00 0.00 0.00 -0.43 4.64 -0.62 -1.73 113.55 115.41 1t3t h SER 509 Ca -0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 1t3t h SER 509 Cb 0.28 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.32 1t3t h SER 509 CO 0.02 0.02 -2.09 -3.20 -0.87 0.00 0.00 176.83 170.70 1t3t n ASN 510 N -3.31 1.86 -0.07 4.97 5.15 -0.98 -4.50 115.26 118.38 1t3t n ASN 510 Ca -0.02 0.11 -0.09 0.00 -0.60 0.00 0.00 54.58 53.97 1t3t n ASN 510 Cb 0.13 -0.47 -0.02 0.00 -0.53 0.00 0.00 39.78 38.88 1t3t n ASN 510 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1t3t h ALA 511 N -0.43 0.34 -0.08 5.20 0.00 -1.22 -2.16 119.26 120.90 1t3t h ALA 511 Ca -0.47 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1t3t h ALA 511 Cb 1.52 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1t3t h ALA 511 CO -0.21 -0.19 -0.11 0.52 0.00 0.00 0.00 179.25 179.27 1t3t h MET 512 N 0.36 0.22 -0.66 0.00 2.86 -1.57 -1.34 114.93 114.80 1t3t h MET 512 Ca 0.10 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1t3t h MET 512 Cb -0.03 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 1t3t h MET 512 CO -0.02 0.67 0.43 -1.35 1.06 0.00 0.00 176.91 177.71 1t3t h PRO 513 N -0.22 0.82 -0.52 -0.22 0.11 -1.74 -1.79 132.00 128.45 1t3t h PRO 513 Ca 0.01 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.95 1t3t h PRO 513 Cb 0.64 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 1t3t h PRO 513 CO 0.03 0.55 -0.16 1.49 -0.21 0.00 0.00 178.00 179.69 1t3t h GLU 514 N 0.85 1.02 0.13 1.05 4.81 -1.37 -0.74 114.58 120.32 1t3t h GLU 514 Ca 0.25 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1t3t h GLU 514 Cb -0.04 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1t3t h GLU 514 CO -0.06 1.09 -0.06 1.25 -0.73 0.00 0.00 179.01 180.50 1t3t h LEU 515 N 0.89 -0.14 -0.69 1.64 6.46 -0.52 -1.06 115.31 121.89 1t3t h LEU 515 Ca 0.13 -0.13 -0.12 0.00 -0.12 0.00 0.00 57.88 57.64 1t3t h LEU 515 Cb 0.74 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 1t3t h LEU 515 CO 0.06 0.04 -0.27 -0.37 -0.62 0.00 0.00 178.44 177.28 1t3t h VAL 516 N -0.32 1.28 -0.46 1.05 -1.51 -1.36 -3.00 116.25 111.92 1t3t h VAL 516 Ca -0.02 -1.39 -0.02 0.00 -1.23 0.00 0.00 66.70 64.04 1t3t h VAL 516 Cb 0.26 1.30 -0.02 0.00 -2.13 0.00 0.00 31.29 30.70 1t3t h VAL 516 CO 0.03 0.46 0.20 -1.28 -1.23 0.00 0.00 177.57 175.75 1t3t h SER 517 N 0.62 0.62 0.27 4.19 0.87 -1.07 0.11 113.55 119.17 1t3t h SER 517 Ca 0.08 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1t3t h SER 517 Cb 0.78 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1t3t h SER 517 CO 0.06 0.60 -0.06 0.44 -0.53 0.00 0.00 176.83 177.34 1t3t h ASP 518 N 0.60 0.00 -0.00 6.23 3.32 -1.14 -0.96 116.42 124.47 1t3t h ASP 518 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1t3t h ASP 518 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1t3t h ASP 518 CO -0.02 0.06 -0.05 0.61 -1.72 0.00 0.00 179.24 178.12 1t3t n GLY 519 N -0.84 0.34 2.18 2.75 0.00 -0.73 -4.94 105.19 103.95 1t3t n GLY 519 Ca -0.02 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 1t3t n GLY 519 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t3t n GLY 520 N 1.27 0.84 3.77 -0.02 0.00 -0.36 -4.53 105.19 106.16 1t3t n GLY 520 Ca 0.16 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 1t3t n GLY 520 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t3t s ARG 521 N -2.63 2.18 0.00 1.61 3.00 0.31 -4.86 118.95 118.56 1t3t s ARG 521 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 55.73 53.60 1t3t s ARG 521 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 34.95 33.16 1t3t s ARG 521 CO 0.00 -0.31 0.00 0.41 0.00 0.00 0.00 175.30 175.40 1t3t n GLY 522 N -1.33 3.74 3.64 -3.53 0.00 -0.03 -3.85 105.19 103.84 1t3t n GLY 522 Ca -0.08 -2.15 -0.10 0.00 0.00 0.00 0.00 46.02 43.68 1t3t n GLY 522 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t3t s GLY 523 N -1.20 -0.30 -0.21 -0.02 0.00 0.16 -1.75 107.32 104.00 1t3t s GLY 523 Ca 0.00 2.48 -0.02 0.00 0.00 0.00 0.00 44.72 47.18 1t3t s GLY 523 CO 0.00 1.89 -0.09 -1.59 0.00 0.00 0.00 173.10 173.31 1t3t s LYS 524 N 0.43 3.24 0.28 2.90 -2.85 -0.82 -0.96 119.74 121.97 1t3t s LYS 524 Ca 0.01 -0.70 0.10 0.00 -1.00 0.00 0.00 55.97 54.38 1t3t s LYS 524 Cb -0.05 -2.87 -0.05 0.00 -2.06 0.00 0.00 37.83 32.80 1t3t s LYS 524 CO -0.05 -0.21 -0.09 -0.06 0.10 0.00 0.00 175.35 175.05 1t3t s PHE 525 N 1.42 2.50 -0.23 1.78 0.08 0.22 -1.62 117.98 122.12 1t3t s PHE 525 Ca 0.05 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.82 1t3t s PHE 525 Cb -0.14 -1.15 0.05 0.00 -0.57 0.00 0.00 43.02 41.21 1t3t s PHE 525 CO -0.06 0.64 -0.10 -2.00 -0.10 0.00 0.00 175.22 173.60 1t3t s GLU 526 N -3.61 2.06 0.27 0.44 2.56 -0.07 -0.64 118.70 119.70 1t3t s GLU 526 Ca 0.31 -1.10 -0.01 0.00 0.00 0.00 0.00 54.97 54.17 1t3t s GLU 526 Cb -0.05 -2.68 0.56 0.00 2.00 0.00 0.00 34.13 33.97 1t3t s GLU 526 CO 0.18 -0.53 1.74 1.25 -0.56 0.00 0.00 175.26 177.34 1t3t h LEU 527 N 7.88 0.41 0.00 2.70 5.85 -0.58 -1.82 115.31 129.75 1t3t h LEU 527 Ca -0.22 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1t3t h LEU 527 Cb 1.07 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1t3t h LEU 527 CO 0.46 0.13 0.00 0.54 -0.34 0.00 0.00 178.44 179.23 1t3t n ARG 528 N -4.95 0.78 0.03 1.25 5.12 -1.26 -2.63 116.66 114.99 1t3t n ARG 528 Ca 0.18 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.21 1t3t n ARG 528 Cb 0.48 -1.47 0.06 0.00 -1.16 0.00 0.00 32.46 30.38 1t3t n ARG 528 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1t3t n ASP 529 N -0.97 0.63 -4.73 0.55 8.00 -0.68 -4.89 116.55 114.46 1t3t n ASP 529 Ca 0.17 -0.22 -0.41 0.00 0.71 0.00 0.00 54.79 55.04 1t3t n ASP 529 Cb 0.08 0.65 -0.04 0.00 -0.02 0.00 0.00 41.12 41.79 1t3t n ASP 529 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1t3t s ILE 530 N -3.15 4.06 0.03 0.53 1.01 -1.08 -4.74 121.20 117.86 1t3t s ILE 530 Ca 0.05 1.66 -0.30 0.00 0.00 0.00 0.00 60.65 62.06 1t3t s ILE 530 Cb 0.15 -4.06 -0.06 0.00 0.01 0.00 0.00 42.46 38.50 1t3t s ILE 530 CO 0.78 0.23 1.34 -0.76 0.00 0.00 0.00 174.94 176.53 1t3t s LEU 531 N 0.13 4.33 0.03 2.97 1.43 -1.26 -4.99 118.68 121.32 1t3t s LEU 531 Ca 0.52 2.11 0.05 0.00 -1.03 0.00 0.00 54.13 55.77 1t3t s LEU 531 Cb -0.28 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 1t3t s LEU 531 CO 0.32 -0.64 -0.15 -0.55 0.23 0.00 0.00 176.35 175.56 1t3t s SER 532 N 1.52 1.74 0.00 2.29 0.15 -1.26 -0.81 113.70 117.32 1t3t s SER 532 Ca 0.62 -0.43 0.17 0.00 0.70 0.00 0.00 55.95 57.01 1t3t s SER 532 Cb -0.31 -0.13 0.05 0.00 -1.71 0.00 0.00 66.02 63.91 1t3t s SER 532 CO 0.27 0.07 0.93 0.47 1.20 0.00 0.00 173.24 176.18 1t3t n ASP 533 N 2.02 1.93 -3.52 5.45 9.92 -0.03 -4.81 116.55 127.51 1t3t n ASP 533 Ca -0.17 -1.47 -0.26 0.00 -0.53 0.00 0.00 54.79 52.36 1t3t n ASP 533 Cb 0.55 0.30 -0.14 0.00 -0.64 0.00 0.00 41.12 41.19 1t3t n ASP 533 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1t3t s GLU 534 N -1.76 0.20 0.55 -1.24 -1.05 -1.25 -5.03 118.70 109.11 1t3t s GLU 534 Ca 0.16 -0.39 0.28 0.00 -0.15 0.00 0.00 54.97 54.87 1t3t s GLU 534 Cb 0.14 -1.16 1.45 0.00 -0.44 0.00 0.00 34.13 34.12 1t3t s GLU 534 CO 0.34 -0.97 1.94 -1.35 0.95 0.00 0.00 175.26 176.18 1t3t h PRO 535 N 8.39 0.00 0.00 -4.83 0.11 -1.88 -2.70 132.00 131.08 1t3t h PRO 535 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1t3t h PRO 535 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1t3t h PRO 535 CO 0.40 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.60 1t3t n GLY 536 N -1.63 -1.06 3.76 -0.55 0.00 -1.08 -2.90 105.19 101.72 1t3t n GLY 536 Ca 0.12 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1t3t n GLY 536 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1t3t s MET 537 N -2.52 4.18 0.73 1.61 -1.94 -1.02 -2.85 119.30 117.49 1t3t s MET 537 Ca 0.24 2.47 -0.12 0.00 -1.71 0.00 0.00 55.69 56.58 1t3t s MET 537 Cb 0.16 -3.03 0.03 0.00 2.01 0.00 0.00 34.83 34.00 1t3t s MET 537 CO 0.36 -0.50 1.11 -1.54 -0.01 0.00 0.00 175.02 174.44 1t3t s SER 538 N 0.16 5.21 0.37 3.03 1.04 -1.26 -3.83 113.70 118.42 1t3t s SER 538 Ca 0.57 1.10 0.07 0.00 0.48 0.00 0.00 55.95 58.18 1t3t s SER 538 Cb -0.45 -1.85 0.78 0.00 0.10 0.00 0.00 66.02 64.60 1t3t s SER 538 CO 0.52 -1.49 1.95 -0.65 0.98 0.00 0.00 173.24 174.55 1t3t h PRO 539 N -0.76 0.68 -0.28 4.02 0.11 -1.84 -0.81 132.00 133.12 1t3t h PRO 539 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1t3t h PRO 539 Cb 1.27 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1t3t h PRO 539 CO 0.64 0.45 0.15 1.25 -0.21 0.00 0.00 178.00 180.28 1t3t h LEU 540 N 0.71 0.36 -0.40 2.35 6.46 -1.94 -0.86 115.31 121.98 1t3t h LEU 540 Ca 0.32 -0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 57.94 1t3t h LEU 540 Cb 0.33 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1t3t h LEU 540 CO -0.11 0.35 0.07 -0.33 -0.62 0.00 0.00 178.44 177.80 1t3t h GLU 541 N 0.34 0.66 -0.48 1.25 5.08 -1.71 0.16 114.58 119.88 1t3t h GLU 541 Ca 0.10 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1t3t h GLU 541 Cb 0.07 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1t3t h GLU 541 CO -0.02 0.70 0.25 0.82 -1.00 0.00 0.00 179.01 179.76 1t3t h ILE 542 N 0.51 1.18 0.04 3.13 2.04 -1.04 -0.57 117.51 122.80 1t3t h ILE 542 Ca 0.12 -0.48 -0.23 0.00 1.00 0.00 0.00 64.86 65.28 1t3t h ILE 542 Cb 0.36 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1t3t h ILE 542 CO 0.01 0.19 -1.05 -0.25 0.00 0.00 0.00 178.15 177.05 1t3t h TRP 543 N 0.63 0.18 -0.01 1.37 2.91 -1.10 -3.38 115.95 116.55 1t3t h TRP 543 Ca 0.17 -0.13 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1t3t h TRP 543 Cb 0.08 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 28.72 1t3t h TRP 543 CO -0.01 1.07 -0.37 0.00 -1.03 0.00 0.00 178.44 178.10 1t3t s ASN 545 N -1.82 4.30 -0.64 0.00 4.22 -0.23 -4.10 114.94 116.68 1t3t s ASN 545 Ca 0.10 2.47 0.00 0.00 -2.14 0.00 0.00 52.86 53.29 1t3t s ASN 545 Cb 0.11 -2.60 0.42 0.00 1.28 0.00 0.00 41.25 40.46 1t3t s ASN 545 CO 0.39 -2.20 1.81 -0.62 -2.04 0.00 0.00 177.10 174.45 1t3t n GLU 546 N -2.43 2.93 -1.74 3.55 1.02 -1.26 -3.96 120.64 118.74 1t3t n GLU 546 Ca 0.14 -3.62 -0.38 0.00 -0.02 0.00 0.00 57.16 53.29 1t3t n GLU 546 Cb 0.49 -2.28 0.05 0.00 -0.02 0.00 0.00 31.44 29.69 1t3t n GLU 546 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1t3t s SER 547 N -2.07 5.01 0.76 1.62 0.01 -1.26 -4.58 113.70 113.19 1t3t s SER 547 Ca 0.57 2.75 -0.03 0.00 1.31 0.00 0.00 55.95 60.55 1t3t s SER 547 Cb 0.46 -2.63 0.14 0.00 0.21 0.00 0.00 66.02 64.20 1t3t s SER 547 CO -0.13 -1.74 1.05 -1.10 0.41 0.00 0.00 173.24 171.72 1t3t s GLN 548 N -3.06 1.50 -1.35 12.44 -1.52 -1.26 -4.64 119.66 121.77 1t3t s GLN 548 Ca 0.75 -1.00 -0.03 0.00 -1.95 0.00 0.00 55.36 53.13 1t3t s GLN 548 Cb -0.40 -2.25 0.02 0.00 -0.22 0.00 0.00 33.01 30.16 1t3t s GLN 548 CO 0.46 -1.61 0.79 0.39 -0.25 0.00 0.00 175.29 175.07 1t3t n GLU 549 N -2.99 -5.26 -4.58 2.91 4.71 -1.26 -4.54 120.64 109.63 1t3t n GLU 549 Ca 0.15 0.64 -0.22 0.00 -0.01 0.00 0.00 57.16 57.72 1t3t n GLU 549 Cb 0.60 -5.31 -0.15 0.00 -1.01 0.00 0.00 31.44 25.58 1t3t n GLU 549 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1t3t s ARG 550 N -6.09 1.07 0.11 3.49 0.52 -1.26 -2.80 118.95 113.99 1t3t s ARG 550 Ca 0.16 -0.52 0.06 0.00 -0.52 0.00 0.00 55.73 54.91 1t3t s ARG 550 Cb -0.08 -1.04 -0.04 0.00 0.52 0.00 0.00 34.95 34.31 1t3t s ARG 550 CO 0.81 0.28 -0.14 0.71 0.02 0.00 0.00 175.30 176.98 1t3t s TYR 551 N -0.38 1.34 -0.06 -0.53 2.02 0.11 -1.79 117.35 118.06 1t3t s TYR 551 Ca 0.05 -0.56 0.05 0.00 -0.37 0.00 0.00 57.07 56.24 1t3t s TYR 551 Cb -0.06 -0.71 -0.00 0.00 -0.40 0.00 0.00 41.96 40.79 1t3t s TYR 551 CO -0.00 0.12 -0.21 0.14 -1.57 0.00 0.00 175.55 174.02 1t3t s VAL 552 N -2.07 1.78 0.13 0.71 -7.23 -0.31 -0.15 120.40 113.27 1t3t s VAL 552 Ca 0.07 -0.90 -0.07 0.00 -1.81 0.00 0.00 61.98 59.27 1t3t s VAL 552 Cb -0.05 -1.52 -0.01 0.00 0.56 0.00 0.00 36.38 35.35 1t3t s VAL 552 CO 0.03 0.50 0.21 -1.48 -0.31 0.00 0.00 175.10 174.04 1t3t s LEU 553 N 0.04 1.31 -0.11 1.32 0.05 -0.14 -1.05 118.68 120.10 1t3t s LEU 553 Ca -0.07 -0.84 -0.01 0.00 0.05 0.00 0.00 54.13 53.27 1t3t s LEU 553 Cb -0.14 0.98 -0.02 0.00 -2.05 0.00 0.00 46.19 44.95 1t3t s LEU 553 CO 0.04 -0.80 -0.09 0.00 -0.55 0.00 0.00 176.35 174.95 1t3t s ALA 554 N -3.94 2.84 -0.01 1.48 0.00 0.01 -0.41 121.76 121.73 1t3t s ALA 554 Ca 0.13 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1t3t s ALA 554 Cb 0.05 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1t3t s ALA 554 CO -0.04 0.36 -0.03 0.08 0.00 0.00 0.00 175.76 176.13 1t3t s VAL 555 N -0.09 0.28 0.32 0.00 1.01 -0.29 -1.62 120.40 120.01 1t3t s VAL 555 Ca -0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 1t3t s VAL 555 Cb -0.13 -0.26 -0.10 0.00 0.00 0.00 0.00 36.38 35.88 1t3t s VAL 555 CO 0.03 0.09 1.40 0.00 0.00 0.00 0.00 175.10 176.62 1t3t s ALA 556 N 0.05 3.56 0.36 5.51 0.00 -1.26 -0.03 121.76 129.95 1t3t s ALA 556 Ca -0.00 1.37 0.14 0.00 0.00 0.00 0.00 51.96 53.47 1t3t s ALA 556 Cb -0.03 -3.54 0.98 0.00 0.00 0.00 0.00 23.12 20.53 1t3t s ALA 556 CO -0.00 -0.79 1.77 0.00 0.00 0.00 0.00 175.76 176.74 1t3t h ALA 557 N 3.79 2.03 0.00 0.00 0.00 -1.94 0.16 119.26 123.30 1t3t h ALA 557 Ca -0.49 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1t3t h ALA 557 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1t3t h ALA 557 CO 0.69 -0.43 0.00 -0.40 0.00 0.00 0.00 179.25 179.11 1t3t n ASP 558 N -4.70 0.00 -0.74 0.00 5.75 -1.26 -2.72 116.55 112.88 1t3t n ASP 558 Ca 0.25 0.08 0.11 0.00 -0.01 0.00 0.00 54.79 55.22 1t3t n ASP 558 Cb 0.77 -0.34 0.06 0.00 -1.03 0.00 0.00 41.12 40.58 1t3t n ASP 558 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1t3t n GLN 559 N -1.34 1.83 -0.26 0.11 1.13 0.56 -4.51 117.38 114.90 1t3t n GLN 559 Ca 0.10 -1.51 -0.05 0.00 -1.94 0.00 0.00 57.00 53.59 1t3t n GLN 559 Cb 0.21 -1.44 0.06 0.00 0.11 0.00 0.00 30.24 29.18 1t3t n GLN 559 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1t3t h LEU 560 N 3.65 0.82 -1.00 1.08 5.85 -1.45 -1.35 115.31 122.90 1t3t h LEU 560 Ca 0.00 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1t3t h LEU 560 Cb 0.86 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1t3t h LEU 560 CO 0.00 0.59 0.46 -0.65 -0.34 0.00 0.00 178.44 178.51 1t3t h PRO 561 N 0.96 1.17 -0.46 5.25 0.11 -1.82 0.73 132.00 137.94 1t3t h PRO 561 Ca 0.26 -0.13 -0.09 0.00 0.11 0.00 0.00 66.00 66.15 1t3t h PRO 561 Cb -0.11 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.75 1t3t h PRO 561 CO -0.06 0.85 -0.07 1.25 -0.21 0.00 0.00 178.00 179.77 1t3t h LEU 562 N 1.17 0.86 -0.80 2.35 5.85 -1.79 -2.09 115.31 120.86 1t3t h LEU 562 Ca 0.30 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1t3t h LEU 562 Cb 0.02 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1t3t h LEU 562 CO -0.05 1.00 0.17 0.15 -0.34 0.00 0.00 178.44 179.37 1t3t h PHE 563 N 0.71 1.11 -0.82 1.25 3.57 -0.71 -1.90 116.94 120.16 1t3t h PHE 563 Ca 0.12 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1t3t h PHE 563 Cb 0.60 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 1t3t h PHE 563 CO 0.05 0.91 0.35 0.22 -2.23 0.00 0.00 178.31 177.60 1t3t h ASP 564 N 1.02 1.10 -0.24 0.41 3.58 -0.74 -1.54 116.42 120.01 1t3t h ASP 564 Ca 0.21 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1t3t h ASP 564 Cb 0.35 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1t3t h ASP 564 CO 0.00 0.95 0.12 -0.08 -2.88 0.00 0.00 179.24 177.36 1t3t h GLU 565 N 1.17 0.35 -0.59 0.28 4.81 -1.03 -1.16 114.58 118.41 1t3t h GLU 565 Ca 0.28 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1t3t h GLU 565 Cb 0.18 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1t3t h GLU 565 CO -0.03 0.34 0.28 -0.07 -0.73 0.00 0.00 179.01 178.81 1t3t h LEU 566 N 0.27 0.77 -0.28 1.64 3.38 -1.06 -2.42 115.31 117.60 1t3t h LEU 566 Ca 0.08 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1t3t h LEU 566 Cb 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1t3t h LEU 566 CO -0.01 0.69 -0.21 0.00 0.09 0.00 0.00 178.44 178.99 1t3t h LYS 568 N 0.38 1.25 -0.28 0.00 1.79 -1.14 0.10 116.57 118.68 1t3t h LYS 568 Ca 0.05 -0.11 -0.06 0.00 -2.18 0.00 0.00 60.65 58.36 1t3t h LYS 568 Cb 0.76 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 1t3t h LYS 568 CO 0.06 0.87 -0.07 -0.09 -1.08 0.00 0.00 179.45 179.13 1t3t h ARG 569 N 1.27 0.45 -0.00 3.15 2.43 -1.44 -2.55 114.38 117.69 1t3t h ARG 569 Ca 0.33 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1t3t h ARG 569 Cb -0.07 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1t3t h ARG 569 CO -0.06 0.54 -0.49 0.39 -1.51 0.00 0.00 179.97 178.83 1t3t n GLU 570 N -4.25 0.25 -2.56 0.20 -0.58 -0.94 -4.65 120.64 108.11 1t3t n GLU 570 Ca 0.01 -0.15 -0.16 0.00 -0.42 0.00 0.00 57.16 56.43 1t3t n GLU 570 Cb 0.28 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.66 1t3t n GLU 570 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1t3t n ARG 571 N -1.24 -2.45 -3.34 3.49 3.00 0.20 -4.85 116.66 111.46 1t3t n ARG 571 Ca 0.07 0.70 -0.40 0.00 -0.01 0.00 0.00 57.85 58.22 1t3t n ARG 571 Cb 0.34 -5.05 -0.09 0.00 0.00 0.00 0.00 32.46 27.66 1t3t n ARG 571 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1t3t s ALA 572 N -2.89 3.56 0.45 7.54 0.00 -0.26 -5.01 121.76 125.16 1t3t s ALA 572 Ca 0.12 -0.80 -0.24 0.00 0.00 0.00 0.00 51.96 51.04 1t3t s ALA 572 Cb -0.05 -2.78 -0.07 0.00 0.00 0.00 0.00 23.12 20.21 1t3t s ALA 572 CO 0.14 -0.74 1.20 -2.14 0.00 0.00 0.00 175.76 174.22 1t3t s PRO 573 N 2.15 3.79 0.16 0.00 0.02 -1.26 -4.56 135.00 135.30 1t3t s PRO 573 Ca 0.17 1.87 -0.22 0.00 0.02 0.00 0.00 61.00 62.83 1t3t s PRO 573 Cb -0.16 -2.49 0.07 0.00 0.02 0.00 0.00 34.50 31.94 1t3t s PRO 573 CO 0.10 -0.55 0.59 1.52 -0.33 0.00 0.00 177.00 178.33 1t3t s TYR 574 N -1.47 -0.50 -0.22 6.54 -0.85 -1.26 -1.28 117.35 118.31 1t3t s TYR 574 Ca 0.62 0.28 -0.16 0.00 -0.52 0.00 0.00 57.07 57.29 1t3t s TYR 574 Cb -0.31 0.54 0.06 0.00 0.38 0.00 0.00 41.96 42.63 1t3t s TYR 574 CO 0.38 -0.85 0.55 0.00 -1.52 0.00 0.00 175.55 174.11 1t3t s ALA 575 N -3.76 -1.42 -0.17 9.51 0.00 -0.87 -5.00 121.76 120.04 1t3t s ALA 575 Ca 0.01 1.79 -0.29 0.00 0.00 0.00 0.00 51.96 53.48 1t3t s ALA 575 Cb -0.01 -1.05 -0.00 0.00 0.00 0.00 0.00 23.12 22.05 1t3t s ALA 575 CO -0.12 -0.30 1.00 0.08 0.00 0.00 0.00 175.76 176.42 1t3t s VAL 576 N 0.95 4.75 -0.39 0.00 1.01 -1.26 -1.61 120.40 123.85 1t3t s VAL 576 Ca -0.05 1.97 0.07 0.00 0.00 0.00 0.00 61.98 63.97 1t3t s VAL 576 Cb -0.05 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 31.98 1t3t s VAL 576 CO -0.08 -0.08 0.34 2.30 0.00 0.00 0.00 175.10 177.58 1t3t n ILE 577 N 4.95 0.00 -3.58 2.22 -5.35 0.17 -4.84 119.36 112.92 1t3t n ILE 577 Ca 0.10 -0.36 -0.03 0.00 -0.27 0.00 0.00 62.75 62.19 1t3t n ILE 577 Cb 0.47 1.02 0.01 0.00 -1.74 0.00 0.00 39.64 39.41 1t3t n ILE 577 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1t3t n GLY 578 N 1.08 1.13 2.97 3.28 0.00 -1.02 -0.89 105.19 111.73 1t3t n GLY 578 Ca 0.02 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 1t3t n GLY 578 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t3t s ASP 579 N -2.21 0.56 0.19 1.61 1.01 -0.64 -1.15 116.67 116.05 1t3t s ASP 579 Ca 0.11 -0.20 -0.30 0.00 0.71 0.00 0.00 52.55 52.87 1t3t s ASP 579 Cb -0.02 -0.03 -0.08 0.00 1.01 0.00 0.00 42.92 43.80 1t3t s ASP 579 CO 0.04 -0.02 1.04 0.00 0.21 0.00 0.00 175.17 176.44 1t3t s ALA 580 N -0.44 3.35 0.22 5.23 0.00 -0.38 -1.95 121.76 127.79 1t3t s ALA 580 Ca -0.02 0.74 0.12 0.00 0.00 0.00 0.00 51.96 52.80 1t3t s ALA 580 Cb -0.04 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 1t3t s ALA 580 CO -0.00 -0.09 -0.23 0.95 0.00 0.00 0.00 175.76 176.40 1t3t s THR 581 N -0.52 2.41 0.07 0.00 -4.23 -0.72 -0.47 115.64 112.17 1t3t s THR 581 Ca 0.46 -2.15 -0.18 0.00 -1.18 0.00 0.00 61.69 58.64 1t3t s THR 581 Cb -0.28 -2.19 -0.11 0.00 1.34 0.00 0.00 72.50 71.26 1t3t s THR 581 CO 0.34 -0.21 1.39 -0.08 -0.54 0.00 0.00 174.62 175.52 1t3t h GLU 582 N 2.89 0.51 -6.44 3.99 4.81 -1.95 -0.04 114.58 118.35 1t3t h GLU 582 Ca -0.44 -0.26 -0.54 0.00 -0.13 0.00 0.00 59.36 57.99 1t3t h GLU 582 Cb 1.22 0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.63 1t3t h GLU 582 CO 0.52 0.83 0.94 -2.00 -0.73 0.00 0.00 179.01 178.58 1t3t s GLU 583 N -4.37 4.22 -1.26 1.92 2.12 -1.26 -4.46 118.70 115.61 1t3t s GLU 583 Ca -0.13 2.23 -0.15 0.00 0.36 0.00 0.00 54.97 57.28 1t3t s GLU 583 Cb 0.07 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 1t3t s GLU 583 CO 0.78 -0.68 2.23 1.04 -0.54 0.00 0.00 175.26 178.09 1t3t n GLN 584 N 5.41 2.55 -4.26 4.30 6.02 -1.26 -3.13 117.38 127.02 1t3t n GLN 584 Ca 0.15 -2.28 -0.20 0.00 -0.01 0.00 0.00 57.00 54.65 1t3t n GLN 584 Cb 0.41 -3.08 -0.12 0.00 1.02 0.00 0.00 30.24 28.47 1t3t n GLN 584 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1t3t s HIS 585 N 3.56 1.39 -0.20 1.08 2.46 -1.26 -1.65 115.29 120.67 1t3t s HIS 585 Ca 0.52 -0.43 -0.04 0.00 0.47 0.00 0.00 55.06 55.59 1t3t s HIS 585 Cb 0.14 -0.79 -0.02 0.00 -0.13 0.00 0.00 32.58 31.79 1t3t s HIS 585 CO -0.03 0.09 -0.03 -1.17 -2.47 0.00 0.00 174.74 171.13 1t3t s LEU 586 N -1.64 3.04 -0.06 8.88 2.96 0.15 -0.67 118.68 131.34 1t3t s LEU 586 Ca 0.01 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 1t3t s LEU 586 Cb -0.10 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.85 1t3t s LEU 586 CO 0.03 0.04 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.46 1t3t s SER 587 N 1.11 1.53 -0.19 3.68 0.15 -0.13 -1.39 113.70 118.46 1t3t s SER 587 Ca 0.02 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1t3t s SER 587 Cb -0.15 -0.68 0.04 0.00 -1.71 0.00 0.00 66.02 63.52 1t3t s SER 587 CO 0.00 -0.02 -0.08 -0.22 1.20 0.00 0.00 173.24 174.11 1t3t s LEU 588 N 0.93 2.06 0.15 3.45 0.20 -0.60 0.70 118.68 125.57 1t3t s LEU 588 Ca -0.10 -0.82 0.04 0.00 0.69 0.00 0.00 54.13 53.93 1t3t s LEU 588 Cb -0.15 -1.12 -0.04 0.00 -0.43 0.00 0.00 46.19 44.46 1t3t s LEU 588 CO 0.01 -0.16 0.18 -2.28 -0.29 0.00 0.00 176.35 173.81 1t3t s HIS 589 N 1.48 3.28 -0.28 5.38 5.65 0.18 -2.38 115.29 128.60 1t3t s HIS 589 Ca -0.01 0.05 0.01 0.00 0.25 0.00 0.00 55.06 55.36 1t3t s HIS 589 Cb -0.16 -1.58 0.08 0.00 -1.18 0.00 0.00 32.58 29.74 1t3t s HIS 589 CO -0.08 0.52 0.00 0.34 -0.65 0.00 0.00 174.74 174.88 1t3t s ASP 590 N -3.06 4.12 0.50 9.88 -1.08 -0.01 0.17 116.67 127.18 1t3t s ASP 590 Ca 0.32 -1.52 0.25 0.00 -0.52 0.00 0.00 52.55 51.08 1t3t s ASP 590 Cb -0.11 -1.22 1.31 0.00 -1.46 0.00 0.00 42.92 41.44 1t3t s ASP 590 CO 0.25 -0.31 2.01 0.78 0.52 0.00 0.00 175.17 178.43 1t3t h ASN 591 N 7.90 0.00 -0.02 -0.34 2.35 -1.97 0.62 115.58 124.12 1t3t h ASN 591 Ca -0.14 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 1t3t h ASN 591 Cb 1.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1t3t h ASN 591 CO 0.45 0.15 -0.07 -0.74 -1.65 0.00 0.00 177.43 175.57 1t3t h HIS 592 N 0.00 0.11 -0.01 1.19 2.76 -1.96 -3.30 115.15 113.94 1t3t h HIS 592 Ca -0.00 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1t3t h HIS 592 Cb 0.42 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.36 1t3t h HIS 592 CO 0.00 0.71 -0.23 1.19 -1.30 0.00 0.00 177.93 178.31 1t3t n PHE 593 N -4.70 0.00 -3.52 5.26 3.72 -1.22 -4.99 117.46 112.01 1t3t n PHE 593 Ca -0.09 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.06 1t3t n PHE 593 Cb 0.36 -0.05 0.05 0.00 -0.94 0.00 0.00 39.48 38.90 1t3t n PHE 593 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1t3t n ASP 594 N -0.07 -5.65 -2.19 4.37 2.03 0.18 -5.01 116.55 110.22 1t3t n ASP 594 Ca 0.13 -0.90 -0.08 0.00 0.52 0.00 0.00 54.79 54.47 1t3t n ASP 594 Cb 0.41 -4.08 -0.00 0.00 -0.72 0.00 0.00 41.12 36.73 1t3t n ASP 594 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1t3t n ASN 595 N -2.89 -1.13 -3.92 1.67 0.23 -1.04 -5.01 115.26 103.17 1t3t n ASN 595 Ca -0.09 -2.10 -0.30 0.00 -0.53 0.00 0.00 54.58 51.55 1t3t n ASN 595 Cb 0.60 1.98 -0.15 0.00 -2.08 0.00 0.00 39.78 40.14 1t3t n ASN 595 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1t3t s GLN 596 N -2.29 1.45 0.54 -3.83 -0.21 -1.26 -0.83 119.66 113.23 1t3t s GLN 596 Ca 0.14 -1.95 0.23 0.00 0.02 0.00 0.00 55.36 53.80 1t3t s GLN 596 Cb -0.02 -2.93 1.42 0.00 1.00 0.00 0.00 33.01 32.48 1t3t s GLN 596 CO 0.10 -1.02 2.08 -1.35 -2.12 0.00 0.00 175.29 172.99 1t3t h PRO 597 N 7.30 0.00 -4.23 2.91 0.11 -1.82 -3.41 132.00 132.87 1t3t h PRO 597 Ca -0.06 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.67 1t3t h PRO 597 Cb 0.97 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.77 1t3t h PRO 597 CO 0.55 0.00 -0.77 0.42 -0.21 0.00 0.00 178.00 177.99 1t3t s ILE 598 N -4.95 0.51 -0.47 4.15 1.01 -1.16 -4.61 121.20 115.67 1t3t s ILE 598 Ca -0.05 -0.19 0.06 0.00 0.00 0.00 0.00 60.65 60.47 1t3t s ILE 598 Cb 0.18 -0.48 0.18 0.00 0.01 0.00 0.00 42.46 42.35 1t3t s ILE 598 CO 0.67 0.18 0.63 -0.62 0.00 0.00 0.00 174.94 175.79 1t3t s ASP 599 N 0.38 -0.82 0.01 3.58 2.15 -1.25 -1.56 116.67 119.16 1t3t s ASP 599 Ca -0.05 -1.76 0.00 0.00 0.43 0.00 0.00 52.55 51.18 1t3t s ASP 599 Cb -0.09 1.45 -0.01 0.00 -0.30 0.00 0.00 42.92 43.98 1t3t s ASP 599 CO -0.00 -0.11 -0.02 -0.76 -0.17 0.00 0.00 175.17 174.11 1t3t s LEU 600 N 0.96 2.10 0.33 -1.34 1.43 -0.48 -5.01 118.68 116.67 1t3t s LEU 600 Ca 0.27 -0.22 -0.27 0.00 -1.03 0.00 0.00 54.13 52.88 1t3t s LEU 600 Cb -0.01 -0.03 -0.09 0.00 0.03 0.00 0.00 46.19 46.08 1t3t s LEU 600 CO -0.07 -0.10 1.08 -2.84 0.23 0.00 0.00 176.35 174.65 1t3t s PRO 601 N -0.62 4.44 0.34 1.29 0.02 -1.26 0.31 135.00 139.52 1t3t s PRO 601 Ca -0.05 1.70 0.03 0.00 0.02 0.00 0.00 61.00 62.69 1t3t s PRO 601 Cb -0.04 -2.93 0.61 0.00 0.02 0.00 0.00 34.50 32.16 1t3t s PRO 601 CO -0.00 0.06 1.95 -0.07 -0.33 0.00 0.00 177.00 178.61 1t3t h LEU 602 N 3.28 0.65 -1.83 -5.54 3.38 -1.64 -2.08 115.31 111.54 1t3t h LEU 602 Ca -0.47 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1t3t h LEU 602 Cb 1.21 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1t3t h LEU 602 CO 0.65 0.56 0.00 -2.24 0.09 0.00 0.00 178.44 177.50 1t3t h ASP 603 N 0.73 0.00 0.00 -0.43 2.03 -1.92 0.11 116.42 116.94 1t3t h ASP 603 Ca 0.18 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.40 1t3t h ASP 603 Cb 0.08 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.57 1t3t h ASP 603 CO -0.02 0.00 -0.65 0.58 -1.03 0.00 0.00 179.24 178.12 1t3t h VAL 604 N 0.00 0.56 -0.68 4.15 2.07 -1.77 -2.95 116.25 117.63 1t3t h VAL 604 Ca 0.00 -1.60 0.04 0.00 0.82 0.00 0.00 66.70 65.96 1t3t h VAL 604 Cb 0.21 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 1t3t h VAL 604 CO 0.00 0.19 0.41 0.25 0.02 0.00 0.00 177.57 178.44 1t3t h LEU 605 N -1.00 0.65 -1.17 2.57 5.85 -1.24 -2.26 115.31 118.71 1t3t h LEU 605 Ca -0.13 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1t3t h LEU 605 Cb 0.79 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1t3t h LEU 605 CO -0.08 0.44 0.00 0.18 -0.34 0.00 0.00 178.44 178.64 1t3t n LEU 606 N -4.72 1.78 -4.77 2.25 4.77 0.36 -4.91 117.00 111.77 1t3t n LEU 606 Ca 0.08 -0.69 -0.41 0.00 -0.03 0.00 0.00 56.01 54.96 1t3t n LEU 606 Cb 0.12 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1t3t n LEU 606 CO 0.31 0.34 1.13 -0.83 -1.33 0.00 0.00 177.39 177.02 1t3t s GLY 607 N -1.75 2.75 -0.08 -0.72 0.00 -0.85 -5.00 107.32 101.66 1t3t s GLY 607 Ca 0.35 1.51 -0.04 0.00 0.00 0.00 0.00 44.72 46.54 1t3t s GLY 607 CO 0.29 2.27 0.09 0.54 0.00 0.00 0.00 173.10 176.29 1t3t s LYS 608 N -1.62 3.22 0.76 2.90 1.02 -1.26 -5.03 119.74 119.73 1t3t s LYS 608 Ca 0.55 -0.30 -0.12 0.00 0.02 0.00 0.00 55.97 56.12 1t3t s LYS 608 Cb -0.45 -2.99 0.05 0.00 -0.52 0.00 0.00 37.83 33.91 1t3t s LYS 608 CO 0.57 0.73 1.11 0.95 -0.92 0.00 0.00 175.35 177.79 1t3t s THR 609 N -1.02 3.04 0.24 2.17 -4.23 -1.26 -4.96 115.64 109.62 1t3t s THR 609 Ca 0.16 0.34 -0.29 0.00 -1.18 0.00 0.00 61.69 60.72 1t3t s THR 609 Cb -0.12 -3.24 -0.15 0.00 1.34 0.00 0.00 72.50 70.33 1t3t s THR 609 CO 0.06 -0.44 0.90 -2.65 -0.54 0.00 0.00 174.62 171.94 1t3t n PRO 610 N -3.23 0.91 -1.64 3.99 -0.02 -1.26 -4.89 135.00 128.86 1t3t n PRO 610 Ca 0.07 0.32 -0.38 0.00 -2.02 0.00 0.00 63.50 61.49 1t3t n PRO 610 Cb 0.58 -1.61 0.04 0.00 -0.02 0.00 0.00 33.50 32.49 1t3t n PRO 610 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1t3t n LYS 611 N 0.97 1.13 -2.68 -0.52 4.81 -1.26 -4.97 118.16 115.64 1t3t n LYS 611 Ca 0.13 0.42 -0.36 0.00 -0.87 0.00 0.00 58.31 57.64 1t3t n LYS 611 Cb 0.28 -2.22 -0.05 0.00 0.02 0.00 0.00 35.03 33.05 1t3t n LYS 611 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 1t3t s MET 612 N -2.65 4.29 -0.11 1.64 -2.45 -1.26 -4.94 119.30 113.81 1t3t s MET 612 Ca 0.73 1.35 -0.01 0.00 -1.25 0.00 0.00 55.69 56.51 1t3t s MET 612 Cb -0.44 -2.51 0.03 0.00 1.25 0.00 0.00 34.83 33.16 1t3t s MET 612 CO 0.49 -0.00 -0.05 0.99 1.05 0.00 0.00 175.02 177.50 1t3t s THR 613 N -1.79 0.86 -0.32 10.11 2.01 -1.26 -0.67 115.64 124.57 1t3t s THR 613 Ca 0.57 -0.24 -0.08 0.00 0.31 0.00 0.00 61.69 62.25 1t3t s THR 613 Cb -0.17 -0.95 0.02 0.00 0.01 0.00 0.00 72.50 71.40 1t3t s THR 613 CO 0.22 0.29 0.11 -0.13 -0.69 0.00 0.00 174.62 174.42 1t3t s ARG 614 N 1.77 2.94 -0.47 4.92 0.52 -0.23 -4.96 118.95 123.45 1t3t s ARG 614 Ca 0.04 -0.97 -0.15 0.00 -0.52 0.00 0.00 55.73 54.14 1t3t s ARG 614 Cb -0.13 -3.46 0.08 0.00 0.52 0.00 0.00 34.95 31.95 1t3t s ARG 614 CO -0.07 -0.54 0.38 0.34 0.02 0.00 0.00 175.30 175.43 1t3t s ASP 615 N 1.49 6.08 0.29 0.23 3.68 -1.26 -1.32 116.67 125.87 1t3t s ASP 615 Ca 0.01 -1.38 0.04 0.00 2.13 0.00 0.00 52.55 53.35 1t3t s ASP 615 Cb -0.18 -2.16 -0.06 0.00 -1.45 0.00 0.00 42.92 39.07 1t3t s ASP 615 CO 0.03 -0.65 0.04 0.68 0.13 0.00 0.00 175.17 175.41 1t3t s VAL 616 N 1.61 1.10 0.08 1.11 -7.23 -0.22 -4.99 120.40 111.86 1t3t s VAL 616 Ca 0.04 -2.02 0.06 0.00 -1.81 0.00 0.00 61.98 58.25 1t3t s VAL 616 Cb -0.24 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 1t3t s VAL 616 CO 0.06 -0.10 -0.15 -1.10 -0.31 0.00 0.00 175.10 173.50 1t3t s GLN 617 N -3.89 0.88 0.02 4.82 -0.21 -1.26 -1.83 119.66 118.19 1t3t s GLN 617 Ca 0.34 -1.01 -0.30 0.00 0.02 0.00 0.00 55.36 54.41 1t3t s GLN 617 Cb 0.08 -0.92 -0.04 0.00 1.00 0.00 0.00 33.01 33.12 1t3t s GLN 617 CO 0.13 0.20 1.10 0.99 -2.12 0.00 0.00 175.29 175.60 1t3t s THR 618 N -1.33 4.42 -0.08 -0.19 2.01 -1.26 -4.52 115.64 114.69 1t3t s THR 618 Ca 0.00 1.73 0.03 0.00 0.31 0.00 0.00 61.69 63.77 1t3t s THR 618 Cb -0.10 -4.11 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 1t3t s THR 618 CO 0.03 0.12 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.13 1t3t s LEU 619 N 1.18 2.48 -0.08 4.42 1.43 -1.26 -5.03 118.68 121.82 1t3t s LEU 619 Ca 0.55 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.27 1t3t s LEU 619 Cb -0.25 -1.50 0.04 0.00 0.03 0.00 0.00 46.19 44.50 1t3t s LEU 619 CO 0.28 0.25 0.05 -0.75 0.23 0.00 0.00 176.35 176.40 1t3t s LYS 620 N -0.17 0.18 0.54 1.70 2.47 -1.26 -4.91 119.74 118.29 1t3t s LYS 620 Ca -0.02 0.17 -0.21 0.00 -1.56 0.00 0.00 55.97 54.35 1t3t s LYS 620 Cb -0.14 -0.97 -0.05 0.00 -1.46 0.00 0.00 37.83 35.21 1t3t s LYS 620 CO 0.03 -0.40 1.28 0.00 0.16 0.00 0.00 175.35 176.42 1t3t s ALA 621 N 2.09 2.77 -0.03 3.13 0.00 -1.26 -4.89 121.76 123.56 1t3t s ALA 621 Ca 0.04 1.17 -0.20 0.00 0.00 0.00 0.00 51.96 52.97 1t3t s ALA 621 Cb -0.13 -3.50 -0.32 0.00 0.00 0.00 0.00 23.12 19.16 1t3t s ALA 621 CO -0.05 -1.19 0.90 -0.22 0.00 0.00 0.00 175.76 175.20 1t3t h LYS 622 N 1.41 0.35 -0.35 0.00 3.64 -1.87 -3.49 116.57 116.26 1t3t h LYS 622 Ca -0.50 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.28 1t3t h LYS 622 Cb 1.29 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 1t3t h LYS 622 CO 0.57 1.28 0.00 0.41 -2.27 0.00 0.00 179.45 179.45 1t3t n GLY 623 N 1.68 -2.89 3.56 5.01 0.00 -1.26 -4.94 105.19 106.36 1t3t n GLY 623 Ca -0.15 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 1t3t n GLY 623 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t3t s ASP 624 N -0.53 4.51 0.41 1.61 2.15 -1.07 -4.71 116.67 119.04 1t3t s ASP 624 Ca 0.00 -0.06 -0.24 0.00 0.43 0.00 0.00 52.55 52.68 1t3t s ASP 624 Cb 0.00 -1.10 -0.11 0.00 -0.30 0.00 0.00 42.92 41.41 1t3t s ASP 624 CO 0.00 0.36 0.88 0.00 -0.17 0.00 0.00 175.17 176.23 1t3t n ALA 625 N 2.24 -0.37 -1.98 3.66 0.00 -1.26 -2.31 120.51 120.49 1t3t n ALA 625 Ca -0.18 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 1t3t n ALA 625 Cb 0.53 -1.98 -0.03 0.00 0.00 0.00 0.00 19.45 17.96 1t3t n ALA 625 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1t3t s LEU 626 N 0.19 4.36 -0.43 0.00 2.96 -1.26 -4.81 118.68 119.69 1t3t s LEU 626 Ca 0.63 2.48 -0.25 0.00 -0.22 0.00 0.00 54.13 56.78 1t3t s LEU 626 Cb -0.59 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 42.55 1t3t s LEU 626 CO 0.57 -0.82 0.88 0.21 -1.32 0.00 0.00 176.35 175.87 1t3t s ASN 627 N 1.73 6.53 -0.03 3.68 3.84 -1.26 -4.91 114.94 124.52 1t3t s ASN 627 Ca 0.70 0.22 0.18 0.00 0.21 0.00 0.00 52.86 54.17 1t3t s ASN 627 Cb -0.40 -2.44 0.56 0.00 -0.55 0.00 0.00 41.25 38.43 1t3t s ASN 627 CO 0.31 -0.94 1.47 0.54 -2.79 0.00 0.00 177.10 175.69 1t3t n ARG 628 N 6.91 2.68 -0.25 0.43 1.74 -1.26 -4.60 116.66 122.30 1t3t n ARG 628 Ca 0.05 -2.28 0.06 0.00 -0.77 0.00 0.00 57.85 54.91 1t3t n ARG 628 Cb 0.48 -1.57 0.18 0.00 -1.02 0.00 0.00 32.46 30.54 1t3t n ARG 628 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1t3t h ALA 629 N 4.07 0.96 -0.70 7.54 0.00 -2.04 -0.84 119.26 128.26 1t3t h ALA 629 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1t3t h ALA 629 Cb 0.95 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1t3t h ALA 629 CO 0.06 -0.33 0.00 -0.25 0.00 0.00 0.00 179.25 178.72 1t3t n ASP 630 N -5.15 4.07 -4.64 0.00 8.00 -1.26 -4.94 116.55 112.63 1t3t n ASP 630 Ca 0.14 -2.12 -0.35 0.00 0.71 0.00 0.00 54.79 53.17 1t3t n ASP 630 Cb 0.46 -0.51 -0.10 0.00 -0.02 0.00 0.00 41.12 40.96 1t3t n ASP 630 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1t3t s ILE 631 N -1.27 4.87 0.08 0.53 1.01 -0.32 -5.00 121.20 121.10 1t3t s ILE 631 Ca 0.49 -0.00 0.05 0.00 0.00 0.00 0.00 60.65 61.18 1t3t s ILE 631 Cb 0.27 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 1t3t s ILE 631 CO 0.30 0.45 -0.14 0.42 0.00 0.00 0.00 174.94 175.97 1t3t s THR 632 N 0.45 1.16 0.23 2.92 -4.23 -1.26 -4.99 115.64 109.91 1t3t s THR 632 Ca 0.04 -1.41 -0.07 0.00 -1.18 0.00 0.00 61.69 59.07 1t3t s THR 632 Cb -0.12 -1.18 0.18 0.00 1.34 0.00 0.00 72.50 72.72 1t3t s THR 632 CO 0.00 -0.27 1.84 0.40 -0.54 0.00 0.00 174.62 176.05 1t3t h ILE 633 N 4.10 1.02 -0.19 2.99 2.04 -1.98 -0.02 117.51 125.48 1t3t h ILE 633 Ca -0.41 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 1t3t h ILE 633 Cb 1.19 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1t3t h ILE 633 CO 0.43 0.16 0.08 0.00 0.00 0.00 0.00 178.15 178.81 1t3t h ALA 634 N 1.38 0.25 -0.32 1.87 0.00 -1.97 -1.08 119.26 119.39 1t3t h ALA 634 Ca 0.34 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1t3t h ALA 634 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1t3t h ALA 634 CO -0.17 -0.16 -0.21 0.22 0.00 0.00 0.00 179.25 178.93 1t3t h ASP 635 N 0.16 0.61 -0.56 0.00 3.58 -1.92 -2.66 116.42 115.64 1t3t h ASP 635 Ca 0.06 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.30 1t3t h ASP 635 Cb 0.17 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 1t3t h ASP 635 CO -0.01 0.82 0.30 0.00 -2.88 0.00 0.00 179.24 177.48 1t3t h ALA 636 N 1.23 0.72 -0.36 -0.78 0.00 -0.74 -0.90 119.26 118.42 1t3t h ALA 636 Ca 0.08 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1t3t h ALA 636 Cb 0.66 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1t3t h ALA 636 CO 0.05 0.24 0.17 0.28 0.00 0.00 0.00 179.25 179.99 1t3t h VAL 637 N 0.75 0.97 -0.35 0.00 2.07 -0.94 -0.01 116.25 118.73 1t3t h VAL 637 Ca 0.20 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1t3t h VAL 637 Cb 0.05 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1t3t h VAL 637 CO -0.03 0.06 0.18 0.50 0.02 0.00 0.00 177.57 178.30 1t3t h LYS 638 N 0.35 0.51 -0.00 1.57 3.64 -1.18 -2.36 116.57 119.10 1t3t h LYS 638 Ca 0.15 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1t3t h LYS 638 Cb 0.08 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1t3t h LYS 638 CO -0.12 0.44 0.00 0.00 -2.27 0.00 0.00 179.45 177.51 1t3t h ARG 639 N 0.44 0.00 -0.84 1.90 3.08 -0.85 -3.05 114.38 115.07 1t3t h ARG 639 Ca 0.12 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.27 1t3t h ARG 639 Cb 0.10 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.08 1t3t h ARG 639 CO -0.02 0.26 0.48 0.28 -1.07 0.00 0.00 179.97 179.91 1t3t h VAL 640 N -0.26 0.92 0.00 2.04 2.07 -0.98 0.13 116.25 120.16 1t3t h VAL 640 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1t3t h VAL 640 Cb 0.26 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1t3t h VAL 640 CO 0.00 0.15 0.00 0.18 0.02 0.00 0.00 177.57 177.92 1t3t n LEU 641 N -4.73 0.25 -0.92 2.57 4.77 -0.89 -1.54 117.00 116.51 1t3t n LEU 641 Ca 0.14 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.81 1t3t n LEU 641 Cb 0.28 -0.54 0.10 0.00 -2.33 0.00 0.00 43.42 40.92 1t3t n LEU 641 CO 0.27 -0.42 0.61 1.41 -1.33 0.00 0.00 177.39 177.93 1t3t n HIS 642 N -1.78 0.00 -2.80 -1.77 8.25 0.41 -4.19 115.22 113.33 1t3t n HIS 642 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 1t3t n HIS 642 Cb 0.16 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 1t3t n HIS 642 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1t3t s LEU 643 N -2.03 4.17 0.38 2.41 2.96 -0.59 -4.92 118.68 121.06 1t3t s LEU 643 Ca 0.27 1.29 0.16 0.00 -0.22 0.00 0.00 54.13 55.64 1t3t s LEU 643 Cb 0.20 -3.37 1.05 0.00 0.50 0.00 0.00 46.19 44.57 1t3t s LEU 643 CO 0.32 -0.47 1.76 -0.65 -1.32 0.00 0.00 176.35 175.99 1t3t h PRO 644 N 7.32 0.43 -0.47 0.98 0.11 -1.90 0.24 132.00 138.71 1t3t h PRO 644 Ca -0.27 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.84 1t3t h PRO 644 Cb 1.12 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1t3t h PRO 644 CO 0.87 0.28 0.31 1.15 -0.21 0.00 0.00 178.00 180.41 1t3t h THR 645 N 0.44 1.06 0.07 -1.15 2.02 -1.89 -3.06 112.91 110.41 1t3t h THR 645 Ca 0.61 -0.19 -0.35 0.00 0.77 0.00 0.00 66.41 67.26 1t3t h THR 645 Cb 1.44 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 1t3t h THR 645 CO -0.34 0.10 -1.94 0.52 0.37 0.00 0.00 175.52 174.22 1t3t n VAL 646 N -4.47 1.67 -0.74 3.16 0.31 0.11 -4.87 118.33 113.50 1t3t n VAL 646 Ca 0.05 -0.49 -0.32 0.00 -0.01 0.00 0.00 64.34 63.57 1t3t n VAL 646 Cb 0.13 -1.77 0.14 0.00 -0.91 0.00 0.00 33.84 31.44 1t3t n VAL 646 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t3t n ALA 647 N -3.21 -2.31 -1.66 3.52 0.00 0.61 -4.90 120.51 112.57 1t3t n ALA 647 Ca -0.36 -0.68 -0.45 0.00 0.00 0.00 0.00 53.44 51.95 1t3t n ALA 647 Cb 0.95 -1.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 1t3t n ALA 647 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1t3t n GLU 648 N -2.53 1.91 -0.84 0.00 2.13 -0.24 -4.92 120.64 116.15 1t3t n GLU 648 Ca 0.07 0.68 0.04 0.00 0.66 0.00 0.00 57.16 58.62 1t3t n GLU 648 Cb 0.54 -2.31 0.35 0.00 0.27 0.00 0.00 31.44 30.29 1t3t n GLU 648 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1t3t n LYS 649 N 1.98 4.21 -0.34 5.31 4.76 -1.26 -4.11 118.16 128.70 1t3t n LYS 649 Ca 0.12 -3.10 0.20 0.00 -2.87 0.00 0.00 58.31 52.66 1t3t n LYS 649 Cb 0.30 -2.17 0.42 0.00 -1.84 0.00 0.00 35.03 31.75 1t3t n LYS 649 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1t3t h THR 650 N 3.23 0.49 0.00 -0.18 2.02 -1.92 0.14 112.91 116.69 1t3t h THR 650 Ca 0.06 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1t3t h THR 650 Cb 1.96 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1t3t h THR 650 CO 0.49 0.09 0.00 2.19 0.37 0.00 0.00 175.52 178.67 1t3t h PHE 651 N 0.51 0.00 0.00 3.16 -5.15 -1.86 -1.13 116.94 112.47 1t3t h PHE 651 Ca 0.65 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.42 1t3t h PHE 651 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.53 1t3t h PHE 651 CO -0.01 0.00 -1.19 1.28 -2.00 0.00 0.00 178.31 176.39 1t3t n LEU 652 N -2.64 0.79 -0.13 2.10 4.77 0.02 -4.49 117.00 117.41 1t3t n LEU 652 Ca -0.00 -0.40 -0.28 0.00 -0.03 0.00 0.00 56.01 55.30 1t3t n LEU 652 Cb 0.16 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 1t3t n LEU 652 CO 0.19 0.20 -1.38 0.52 -1.33 0.00 0.00 177.39 175.59 1t3t n VAL 653 N -1.65 1.47 0.98 4.08 0.31 -0.51 -4.59 118.33 118.41 1t3t n VAL 653 Ca 0.02 -0.35 0.11 0.00 -0.01 0.00 0.00 64.34 64.12 1t3t n VAL 653 Cb 0.37 -1.89 0.55 0.00 -0.91 0.00 0.00 33.84 31.97 1t3t n VAL 653 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1t3t n THR 654 N -4.21 0.33 0.97 2.52 -2.24 -0.71 -2.47 114.28 108.47 1t3t n THR 654 Ca -0.51 0.08 0.13 0.00 -2.27 0.00 0.00 64.05 61.49 1t3t n THR 654 Cb 0.85 -0.69 0.45 0.00 -2.10 0.00 0.00 70.33 68.84 1t3t n THR 654 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1t3t n ILE 655 N -1.38 0.03 -5.27 2.28 -5.35 -1.26 -0.60 119.36 107.81 1t3t n ILE 655 Ca 0.09 -0.02 -0.31 0.00 -0.27 0.00 0.00 62.75 62.24 1t3t n ILE 655 Cb 0.22 -0.18 -0.16 0.00 -1.74 0.00 0.00 39.64 37.78 1t3t n ILE 655 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1t3t s GLY 656 N -3.04 1.28 0.25 3.28 0.00 -1.03 -4.80 107.32 103.26 1t3t s GLY 656 Ca 0.12 -1.06 -0.31 0.00 0.00 0.00 0.00 44.72 43.47 1t3t s GLY 656 CO 0.61 -0.72 1.42 1.34 0.00 0.00 0.00 173.10 175.74 1t3t n ASP 657 N 2.81 2.87 -0.13 1.64 -0.08 -1.26 -4.70 116.55 117.69 1t3t n ASP 657 Ca -0.17 1.15 0.02 0.00 -1.51 0.00 0.00 54.79 54.28 1t3t n ASP 657 Cb 0.52 -1.45 0.03 0.00 2.34 0.00 0.00 41.12 42.56 1t3t n ASP 657 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1t3t n ARG 658 N 1.92 1.12 0.00 -0.67 1.74 -1.26 -1.61 116.66 117.90 1t3t n ARG 658 Ca 0.11 -1.39 0.00 0.00 -0.77 0.00 0.00 57.85 55.79 1t3t n ARG 658 Cb 0.32 -0.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 1t3t n ARG 658 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1t3t n THR 659 N -0.49 0.00 -1.67 0.55 -2.24 -1.26 -4.81 114.28 104.36 1t3t n THR 659 Ca 0.04 -0.08 -0.44 0.00 -2.27 0.00 0.00 64.05 61.30 1t3t n THR 659 Cb 0.51 0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 69.26 1t3t n THR 659 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1t3t n VAL 660 N -0.47 1.48 0.00 2.28 3.14 -1.26 -1.54 118.33 121.96 1t3t n VAL 660 Ca 0.00 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 61.01 1t3t n VAL 660 Cb 0.00 -1.46 0.00 0.00 -1.06 0.00 0.00 33.84 31.32 1t3t n VAL 660 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1t3t n THR 661 N 1.10 0.00 -0.99 1.55 -2.24 -1.26 -4.42 114.28 108.01 1t3t n THR 661 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1t3t n THR 661 Cb 0.33 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1t3t n THR 661 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t3t n GLY 662 N -1.13 0.32 0.98 3.38 0.00 -0.59 -4.57 105.19 103.58 1t3t n GLY 662 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1t3t n GLY 662 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1t3t n MET 663 N -1.49 2.87 -2.90 1.61 2.81 -1.26 -4.79 117.12 113.96 1t3t n MET 663 Ca 0.00 -2.36 -0.42 0.00 -1.81 0.00 0.00 57.70 53.11 1t3t n MET 663 Cb 0.18 -1.44 -0.04 0.00 -0.71 0.00 0.00 33.22 31.21 1t3t n MET 663 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1t3t s VAL 664 N -1.10 4.76 -0.23 2.03 1.01 -1.26 0.61 120.40 126.21 1t3t s VAL 664 Ca 0.36 1.27 0.08 0.00 0.00 0.00 0.00 61.98 63.69 1t3t s VAL 664 Cb 0.19 -4.18 -0.20 0.00 0.00 0.00 0.00 36.38 32.19 1t3t s VAL 664 CO 0.23 -0.27 -0.10 0.00 0.00 0.00 0.00 175.10 174.96 1t3t n ALA 665 N 6.28 1.46 -3.73 5.51 0.00 -0.44 -4.26 120.51 125.33 1t3t n ALA 665 Ca 0.05 -1.20 -0.25 0.00 0.00 0.00 0.00 53.44 52.04 1t3t n ALA 665 Cb 0.48 -0.14 -0.17 0.00 0.00 0.00 0.00 19.45 19.62 1t3t n ALA 665 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1t3t s ARG 666 N -2.51 0.55 0.54 0.00 6.06 -0.39 -4.73 118.95 118.47 1t3t s ARG 666 Ca -0.25 -0.15 0.05 0.00 -2.50 0.00 0.00 55.73 52.87 1t3t s ARG 666 Cb 0.08 -1.59 0.03 0.00 0.06 0.00 0.00 34.95 33.53 1t3t s ARG 666 CO 0.69 -0.50 0.34 0.16 -2.50 0.00 0.00 175.30 173.49 1t3t s ASP 667 N 1.94 4.55 0.30 -2.12 -4.77 -1.26 -2.06 116.67 113.25 1t3t s ASP 667 Ca 0.02 -1.31 -0.00 0.00 -3.30 0.00 0.00 52.55 47.96 1t3t s ASP 667 Cb -0.15 0.42 0.50 0.00 -1.09 0.00 0.00 42.92 42.60 1t3t s ASP 667 CO -0.07 -1.06 1.94 1.56 0.70 0.00 0.00 175.17 178.24 1t3t h GLN 668 N 0.85 1.03 -6.29 2.11 7.50 -1.89 -3.42 115.11 115.00 1t3t h GLN 668 Ca -0.38 -0.06 -0.55 0.00 0.50 0.00 0.00 58.65 58.15 1t3t h GLN 668 Cb 1.30 -0.23 -0.03 0.00 0.05 0.00 0.00 27.48 28.58 1t3t h GLN 668 CO 0.60 0.68 0.69 -1.64 -1.50 0.00 0.00 178.83 177.66 1t3t s MET 669 N -5.91 4.35 -0.03 1.46 -1.94 -1.26 -1.94 119.30 114.03 1t3t s MET 669 Ca -0.11 1.62 0.06 0.00 -1.71 0.00 0.00 55.69 55.54 1t3t s MET 669 Cb 0.19 -3.57 -0.02 0.00 2.01 0.00 0.00 34.83 33.44 1t3t s MET 669 CO 0.80 -0.45 -0.20 0.08 -0.01 0.00 0.00 175.02 175.23 1t3t s VAL 670 N 2.29 2.54 0.11 -6.03 1.01 0.47 -4.80 120.40 115.99 1t3t s VAL 670 Ca 0.54 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1t3t s VAL 670 Cb -0.23 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1t3t s VAL 670 CO 0.20 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.50 1t3t n GLY 671 N 2.37 -1.77 0.31 4.51 0.00 -1.26 -1.55 105.19 107.79 1t3t n GLY 671 Ca -0.17 -1.25 0.11 0.00 0.00 0.00 0.00 46.02 44.72 1t3t n GLY 671 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1t3t h PRO 672 N 0.00 0.11 -0.07 1.61 0.11 -1.87 -1.20 132.00 130.70 1t3t h PRO 672 Ca 0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1t3t h PRO 672 Cb 0.44 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1t3t h PRO 672 CO 0.00 0.07 0.00 0.91 -0.21 0.00 0.00 178.00 178.78 1t3t n TRP 673 N -4.48 0.07 -3.91 0.65 8.01 -1.26 -1.16 117.44 115.35 1t3t n TRP 673 Ca 0.03 -0.03 -0.40 0.00 -1.31 0.00 0.00 57.50 55.78 1t3t n TRP 673 Cb 0.27 0.00 0.03 0.00 -2.01 0.00 0.00 31.31 29.60 1t3t n TRP 673 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 1t3t n GLN 674 N 0.37 -0.65 -3.36 -0.99 1.13 -0.45 -4.95 117.38 108.48 1t3t n GLN 674 Ca 0.18 0.25 -0.38 0.00 -1.94 0.00 0.00 57.00 55.10 1t3t n GLN 674 Cb 0.38 -3.14 -0.07 0.00 0.11 0.00 0.00 30.24 27.52 1t3t n GLN 674 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1t3t s VAL 675 N -3.48 5.18 -1.01 5.09 1.01 -0.60 -4.58 120.40 122.01 1t3t s VAL 675 Ca 0.47 0.79 -0.22 0.00 0.00 0.00 0.00 61.98 63.02 1t3t s VAL 675 Cb -0.23 -3.76 -0.11 0.00 0.00 0.00 0.00 36.38 32.29 1t3t s VAL 675 CO 0.93 0.25 1.93 -2.65 0.00 0.00 0.00 175.10 175.56 1t3t n PRO 676 N 4.36 1.72 0.00 2.72 -0.02 -1.26 -0.40 135.00 142.13 1t3t n PRO 676 Ca -0.08 -2.24 0.00 0.00 -2.02 0.00 0.00 63.50 59.16 1t3t n PRO 676 Cb 0.51 -3.32 0.00 0.00 -0.02 0.00 0.00 33.50 30.67 1t3t n PRO 676 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1t3t n VAL 677 N 6.76 0.31 -1.71 -1.45 0.24 -0.82 -4.67 118.33 116.99 1t3t n VAL 677 Ca 0.48 -0.36 -0.43 0.00 -2.04 0.00 0.00 64.34 61.99 1t3t n VAL 677 Cb 0.43 0.98 -0.02 0.00 -1.47 0.00 0.00 33.84 33.76 1t3t n VAL 677 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1t3t n ALA 678 N -0.16 2.15 0.21 2.33 0.00 -0.93 -4.78 120.51 119.34 1t3t n ALA 678 Ca 0.00 0.40 0.11 0.00 0.00 0.00 0.00 53.44 53.94 1t3t n ALA 678 Cb 0.34 -2.42 0.28 0.00 0.00 0.00 0.00 19.45 17.65 1t3t n ALA 678 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1t3t h ASP 679 N 5.23 0.00 -5.12 0.00 3.32 -1.92 -3.47 116.42 114.47 1t3t h ASP 679 Ca -0.45 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.56 1t3t h ASP 679 Cb 1.23 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.68 1t3t h ASP 679 CO 0.83 0.14 -0.03 0.00 -1.72 0.00 0.00 179.24 178.46 1t3t s ALA 681 N -3.89 3.76 -0.05 0.00 0.00 -0.21 -4.76 121.76 116.61 1t3t s ALA 681 Ca 0.10 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 1t3t s ALA 681 Cb -0.00 -1.62 0.04 0.00 0.00 0.00 0.00 23.12 21.54 1t3t s ALA 681 CO -0.03 0.78 0.12 0.08 0.00 0.00 0.00 175.76 176.72 1t3t s VAL 682 N -1.43 -0.05 0.14 0.00 1.01 -0.88 -1.30 120.40 117.90 1t3t s VAL 682 Ca 0.31 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.57 1t3t s VAL 682 Cb -0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1t3t s VAL 682 CO 0.24 0.07 -0.22 0.42 0.00 0.00 0.00 175.10 175.62 1t3t s THR 683 N 1.12 1.97 0.31 3.92 -4.23 0.16 -1.27 115.64 117.62 1t3t s THR 683 Ca -0.09 -1.79 -0.21 0.00 -1.18 0.00 0.00 61.69 58.42 1t3t s THR 683 Cb -0.11 -1.83 -0.09 0.00 1.34 0.00 0.00 72.50 71.80 1t3t s THR 683 CO -0.05 -0.12 0.84 0.42 -0.54 0.00 0.00 174.62 175.17 1t3t s THR 684 N -1.51 4.45 0.37 3.99 -4.23 0.20 -0.49 115.64 118.42 1t3t s THR 684 Ca 0.13 1.42 0.20 0.00 -1.18 0.00 0.00 61.69 62.26 1t3t s THR 684 Cb -0.08 -3.80 0.19 0.00 1.34 0.00 0.00 72.50 70.15 1t3t s THR 684 CO 0.06 0.01 1.94 0.00 -0.54 0.00 0.00 174.62 176.09 1t3t h ALA 685 N 2.81 1.35 -3.40 3.99 0.00 -1.28 -3.45 119.26 119.29 1t3t h ALA 685 Ca -0.48 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.08 1t3t h ALA 685 Cb 1.19 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1t3t h ALA 685 CO 0.64 0.29 0.07 -1.13 0.00 0.00 0.00 179.25 179.12 1t3t n SER 686 N -3.88 -1.70 -0.64 0.00 3.41 -1.26 -4.97 113.62 104.57 1t3t n SER 686 Ca -0.02 -2.60 0.07 0.00 -0.26 0.00 0.00 58.87 56.06 1t3t n SER 686 Cb 0.32 2.96 0.21 0.00 -0.26 0.00 0.00 64.21 67.44 1t3t n SER 686 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1t3t n LEU 687 N 0.00 1.87 -0.41 1.04 4.77 -1.26 -3.89 117.00 119.12 1t3t n LEU 687 Ca -0.04 -0.91 0.03 0.00 -0.03 0.00 0.00 56.01 55.07 1t3t n LEU 687 Cb 0.54 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.47 1t3t n LEU 687 CO 0.26 0.45 0.34 -0.90 -1.33 0.00 0.00 177.39 176.21 1t3t n ASP 688 N 0.51 0.73 -4.12 -1.43 3.85 -1.26 -5.10 116.55 109.73 1t3t n ASP 688 Ca 0.13 -2.34 -0.10 0.00 -0.71 0.00 0.00 54.79 51.77 1t3t n ASP 688 Cb 0.31 -0.27 -0.09 0.00 -1.35 0.00 0.00 41.12 39.71 1t3t n ASP 688 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1t3t s SER 689 N -1.61 0.21 0.00 -1.12 0.15 -1.25 -4.88 113.70 105.21 1t3t s SER 689 Ca 0.11 -1.18 0.15 0.00 0.70 0.00 0.00 55.95 55.73 1t3t s SER 689 Cb 0.10 0.35 0.04 0.00 -1.71 0.00 0.00 66.02 64.79 1t3t s SER 689 CO 0.00 -0.80 0.86 -1.22 1.20 0.00 0.00 173.24 173.28 1t3t n TYR 690 N -0.16 0.00 -1.48 3.44 4.01 -1.26 -4.73 117.16 116.97 1t3t n TYR 690 Ca -0.04 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.39 1t3t n TYR 690 Cb 0.64 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.75 1t3t n TYR 690 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1t3t s TYR 691 N -1.62 2.87 0.00 -0.72 2.02 -1.26 -0.23 117.35 118.41 1t3t s TYR 691 Ca 0.14 1.35 0.00 0.00 -0.37 0.00 0.00 57.07 58.19 1t3t s TYR 691 Cb 0.12 -3.00 0.00 0.00 -0.40 0.00 0.00 41.96 38.68 1t3t s TYR 691 CO 0.31 -1.58 0.00 0.41 -1.57 0.00 0.00 175.55 173.12 1t3t n GLY 692 N -1.82 2.10 2.99 0.71 0.00 -0.49 -0.85 105.19 107.83 1t3t n GLY 692 Ca 0.08 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 1t3t n GLY 692 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t3t s GLU 693 N 1.19 0.37 0.09 1.61 8.01 0.36 -0.24 118.70 130.09 1t3t s GLU 693 Ca 0.00 -0.45 0.08 0.00 0.01 0.00 0.00 54.97 54.61 1t3t s GLU 693 Cb 0.00 -0.19 -0.03 0.00 -4.31 0.00 0.00 34.13 29.60 1t3t s GLU 693 CO 0.00 0.04 -0.21 0.00 0.01 0.00 0.00 175.26 175.10 1t3t s ALA 694 N -0.84 1.79 -0.01 5.21 0.00 0.35 -0.67 121.76 127.59 1t3t s ALA 694 Ca -0.07 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.72 1t3t s ALA 694 Cb -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1t3t s ALA 694 CO -0.00 0.37 -0.10 -1.64 0.00 0.00 0.00 175.76 174.39 1t3t s MET 695 N -1.75 0.82 0.08 0.00 -1.94 -0.42 -1.79 119.30 114.30 1t3t s MET 695 Ca 0.07 -0.34 -0.09 0.00 -1.71 0.00 0.00 55.69 53.62 1t3t s MET 695 Cb -0.10 -0.79 -0.00 0.00 2.01 0.00 0.00 34.83 35.95 1t3t s MET 695 CO 0.04 0.19 0.19 -1.54 -0.01 0.00 0.00 175.02 173.89 1t3t s SER 696 N -0.15 0.11 0.01 3.03 1.04 -0.22 -1.04 113.70 116.48 1t3t s SER 696 Ca 0.02 -0.62 0.05 0.00 0.48 0.00 0.00 55.95 55.89 1t3t s SER 696 Cb -0.05 0.33 -0.02 0.00 0.10 0.00 0.00 66.02 66.39 1t3t s SER 696 CO -0.00 -0.71 -0.15 -0.63 0.98 0.00 0.00 173.24 172.72 1t3t s ILE 697 N -3.72 1.22 -0.04 -1.02 1.01 -1.26 -0.11 121.20 117.28 1t3t s ILE 697 Ca 0.04 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.88 1t3t s ILE 697 Cb 0.04 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 41.47 1t3t s ILE 697 CO -0.10 0.21 -0.09 -0.83 0.00 0.00 0.00 174.94 174.12 1t3t s GLY 698 N -0.72 0.61 -0.25 6.18 0.00 0.13 -4.18 107.32 109.10 1t3t s GLY 698 Ca 0.05 -0.31 -0.26 0.00 0.00 0.00 0.00 44.72 44.19 1t3t s GLY 698 CO 0.00 0.07 0.82 1.85 0.00 0.00 0.00 173.10 175.85 1t3t s GLU 699 N 0.48 0.75 -0.40 2.90 -6.30 -1.26 -0.55 118.70 114.32 1t3t s GLU 699 Ca -0.09 0.76 0.10 0.00 -2.50 0.00 0.00 54.97 53.24 1t3t s GLU 699 Cb -0.12 0.36 0.38 0.00 0.00 0.00 0.00 34.13 34.76 1t3t s GLU 699 CO 0.02 -0.12 1.23 -2.13 0.02 0.00 0.00 175.26 174.28 1t3t n ARG 700 N 2.27 1.15 -0.26 4.30 3.00 -1.26 -4.85 116.66 121.00 1t3t n ARG 700 Ca -0.14 -2.11 0.06 0.00 -0.00 0.00 0.00 57.85 55.66 1t3t n ARG 700 Cb 0.56 -0.47 0.17 0.00 0.00 0.00 0.00 32.46 32.71 1t3t n ARG 700 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1t3t h ALA 701 N 2.38 0.84 -0.88 5.13 0.00 -1.85 -2.20 119.26 122.68 1t3t h ALA 701 Ca -0.20 0.23 0.23 0.00 0.00 0.00 0.00 54.91 55.16 1t3t h ALA 701 Cb 1.23 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 19.35 1t3t h ALA 701 CO 0.07 -0.42 0.61 -1.35 0.00 0.00 0.00 179.25 178.16 1t3t h PRO 702 N 0.13 0.18 0.00 0.00 0.11 -1.89 0.73 132.00 131.27 1t3t h PRO 702 Ca 0.42 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.52 1t3t h PRO 702 Cb 0.75 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 1t3t h PRO 702 CO -0.64 0.12 -0.01 0.28 -0.21 0.00 0.00 178.00 177.54 1t3t h VAL 703 N 0.19 0.95 0.00 3.15 2.07 -1.61 -1.43 116.25 119.57 1t3t h VAL 703 Ca 0.44 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.94 1t3t h VAL 703 Cb 1.42 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1t3t h VAL 703 CO -0.09 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.51 1t3t n ALA 704 N -2.52 1.40 0.85 1.67 0.00 0.25 -0.60 120.51 121.56 1t3t n ALA 704 Ca -0.03 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.63 1t3t n ALA 704 Cb 0.09 -1.31 0.53 0.00 0.00 0.00 0.00 19.45 18.77 1t3t n ALA 704 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1t3t n LEU 705 N -2.09 0.05 0.00 0.00 4.77 -0.54 -3.98 117.00 115.22 1t3t n LEU 705 Ca 0.01 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1t3t n LEU 705 Cb 0.14 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1t3t n LEU 705 CO 0.14 -0.08 -0.43 0.18 -1.33 0.00 0.00 177.39 175.87 1t3t n LEU 706 N -1.55 2.02 -3.34 2.23 4.77 -0.34 -4.15 117.00 116.64 1t3t n LEU 706 Ca 0.06 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 1t3t n LEU 706 Cb 0.30 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 1t3t n LEU 706 CO 0.24 0.34 -0.04 -0.62 -1.33 0.00 0.00 177.39 175.97 1t3t s ASP 707 N -3.61 0.13 0.06 -1.43 -1.08 0.23 -4.57 116.67 106.40 1t3t s ASP 707 Ca 0.00 0.28 -0.30 0.00 -0.52 0.00 0.00 52.55 52.02 1t3t s ASP 707 Cb 0.00 1.19 -0.18 0.00 -1.46 0.00 0.00 42.92 42.47 1t3t s ASP 707 CO 0.00 -0.30 1.57 -0.26 0.52 0.00 0.00 175.17 176.71 1t3t h PHE 708 N 8.17 -0.60 -0.91 -5.34 0.04 -1.79 -2.27 116.94 114.24 1t3t h PHE 708 Ca -0.20 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.57 1t3t h PHE 708 Cb 1.16 0.20 -0.05 0.00 2.20 0.00 0.00 35.95 39.46 1t3t h PHE 708 CO 0.12 -0.34 0.60 0.00 -0.60 0.00 0.00 178.31 178.09 1t3t h ALA 709 N -0.22 1.36 -0.53 2.45 0.00 -1.85 -2.55 119.26 117.92 1t3t h ALA 709 Ca -0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1t3t h ALA 709 Cb 0.53 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1t3t h ALA 709 CO 0.11 0.59 0.22 0.00 0.00 0.00 0.00 179.25 180.17 1t3t h ALA 710 N 1.44 0.69 -1.00 0.00 0.00 -1.89 -0.95 119.26 117.54 1t3t h ALA 710 Ca 0.34 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1t3t h ALA 710 Cb -0.13 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.40 1t3t h ALA 710 CO -0.08 0.29 0.66 0.66 0.00 0.00 0.00 179.25 180.78 1t3t h SER 711 N 0.72 1.14 -0.17 0.00 4.64 -1.02 -0.37 113.55 118.49 1t3t h SER 711 Ca 0.18 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.41 1t3t h SER 711 Cb 0.18 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1t3t h SER 711 CO -0.02 0.82 -0.13 0.00 -0.87 0.00 0.00 176.83 176.64 1t3t h ALA 712 N 1.37 0.25 -0.74 5.18 0.00 -1.17 -2.10 119.26 122.05 1t3t h ALA 712 Ca 0.37 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1t3t h ALA 712 Cb -0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1t3t h ALA 712 CO -0.08 0.12 0.42 0.00 0.00 0.00 0.00 179.25 179.70 1t3t h ARG 713 N 0.06 1.01 -0.23 0.00 3.08 -0.87 -2.46 114.38 114.96 1t3t h ARG 713 Ca 0.03 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 1t3t h ARG 713 Cb 0.64 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1t3t h ARG 713 CO 0.03 0.73 -0.39 -0.07 -1.07 0.00 0.00 179.97 179.20 1t3t h LEU 714 N 1.02 0.55 -0.64 3.04 3.38 -1.00 -0.34 115.31 121.32 1t3t h LEU 714 Ca 0.26 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1t3t h LEU 714 Cb 0.00 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1t3t h LEU 714 CO -0.05 0.89 0.29 0.00 0.09 0.00 0.00 178.44 179.66 1t3t h ALA 715 N 1.14 0.83 -0.14 1.53 0.00 -0.94 0.32 119.26 122.00 1t3t h ALA 715 Ca 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1t3t h ALA 715 Cb 0.88 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1t3t h ALA 715 CO 0.07 0.41 -0.01 0.28 0.00 0.00 0.00 179.25 180.01 1t3t h VAL 716 N 0.89 1.26 -0.90 0.00 2.07 -1.29 -2.51 116.25 115.78 1t3t h VAL 716 Ca 0.22 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.89 1t3t h VAL 716 Cb 0.15 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 1t3t h VAL 716 CO -0.02 0.25 0.59 1.23 0.02 0.00 0.00 177.57 179.64 1t3t h GLY 717 N -0.02 1.29 1.30 2.17 0.00 -0.75 -2.42 103.07 104.64 1t3t h GLY 717 Ca 0.04 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.76 1t3t h GLY 717 CO 0.01 0.42 -0.40 -2.09 0.00 0.00 0.00 176.54 174.47 1t3t h GLU 718 N 1.17 0.77 -0.64 4.80 4.81 -0.35 -0.63 114.58 124.51 1t3t h GLU 718 Ca 0.34 -0.40 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1t3t h GLU 718 Cb -0.07 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1t3t h GLU 718 CO -0.10 1.03 0.42 0.00 -0.73 0.00 0.00 179.01 179.63 1t3t h ALA 719 N 0.92 1.67 -0.10 2.92 0.00 -1.11 0.13 119.26 123.68 1t3t h ALA 719 Ca 0.05 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1t3t h ALA 719 Cb 0.96 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1t3t h ALA 719 CO 0.09 0.26 -0.58 1.25 0.00 0.00 0.00 179.25 180.28 1t3t h LEU 720 N 0.74 0.69 -1.10 0.00 5.85 -1.07 -2.62 115.31 117.79 1t3t h LEU 720 Ca 0.26 -0.65 -0.09 0.00 0.84 0.00 0.00 57.88 58.24 1t3t h LEU 720 Cb 0.10 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1t3t h LEU 720 CO -0.07 1.23 -0.41 0.71 -0.34 0.00 0.00 178.44 179.56 1t3t h THR 721 N 0.19 1.11 -0.01 1.05 1.35 -0.55 -1.14 112.91 114.92 1t3t h THR 721 Ca -0.04 -1.48 -0.14 0.00 -0.55 0.00 0.00 66.41 64.20 1t3t h THR 721 Cb 1.22 1.84 -0.02 0.00 -1.73 0.00 0.00 68.15 69.46 1t3t h THR 721 CO 0.12 0.40 -0.68 0.78 -0.25 0.00 0.00 175.52 175.89 1t3t h ASN 722 N 0.00 0.03 0.05 5.36 2.35 -0.74 -3.25 115.58 119.38 1t3t h ASN 722 Ca -0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1t3t h ASN 722 Cb 0.80 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.16 1t3t h ASN 722 CO 0.05 0.70 -0.69 0.00 -1.65 0.00 0.00 177.43 175.84 1t3t n ILE 723 N -3.75 0.00 -0.10 2.81 3.06 -0.99 -3.69 119.36 116.71 1t3t n ILE 723 Ca -0.01 -0.12 0.20 0.00 -2.50 0.00 0.00 62.75 60.32 1t3t n ILE 723 Cb 0.66 1.00 0.62 0.00 0.54 0.00 0.00 39.64 42.47 1t3t n ILE 723 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1t3t h ALA 724 N 3.41 2.41 -0.34 1.51 0.00 -1.25 -2.60 119.26 122.41 1t3t h ALA 724 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1t3t h ALA 724 Cb 0.61 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1t3t h ALA 724 CO 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 179.25 178.72 1t3t n ALA 725 N -2.61 3.42 -2.52 0.00 0.00 -1.26 -4.42 120.51 113.12 1t3t n ALA 725 Ca 0.13 -1.09 -0.32 0.00 0.00 0.00 0.00 53.44 52.16 1t3t n ALA 725 Cb 0.65 -1.10 -0.12 0.00 0.00 0.00 0.00 19.45 18.87 1t3t n ALA 725 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1t3t s THR 726 N -1.84 3.25 -0.70 0.00 2.01 -0.98 -1.55 115.64 115.82 1t3t s THR 726 Ca 0.28 -0.82 -0.27 0.00 0.31 0.00 0.00 61.69 61.19 1t3t s THR 726 Cb 0.22 -2.34 0.02 0.00 0.01 0.00 0.00 72.50 70.40 1t3t s THR 726 CO 0.07 0.47 1.45 -1.58 -0.69 0.00 0.00 174.62 174.35 1t3t s GLN 727 N -1.11 3.03 -0.05 4.92 0.74 -1.26 -4.72 119.66 121.21 1t3t s GLN 727 Ca 0.14 -0.00 -0.04 0.00 0.05 0.00 0.00 55.36 55.51 1t3t s GLN 727 Cb -0.11 -4.24 -0.03 0.00 1.10 0.00 0.00 33.01 29.73 1t3t s GLN 727 CO 0.04 -2.32 -0.09 -0.89 -0.55 0.00 0.00 175.29 171.48 1t3t n ILE 728 N 6.62 0.57 0.00 -2.34 5.41 -1.26 -0.44 119.36 127.92 1t3t n ILE 728 Ca 0.08 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1t3t n ILE 728 Cb 0.50 -1.63 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 1t3t n ILE 728 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1t3t n GLY 729 N 2.67 0.73 3.67 7.39 0.00 -1.26 -4.55 105.19 113.84 1t3t n GLY 729 Ca -0.11 -1.16 -0.47 0.00 0.00 0.00 0.00 46.02 44.28 1t3t n GLY 729 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t3t n ASP 730 N 0.00 3.11 0.25 1.61 2.03 -1.26 -4.87 116.55 117.43 1t3t n ASP 730 Ca 0.00 1.06 0.09 0.00 0.52 0.00 0.00 54.79 56.47 1t3t n ASP 730 Cb 0.00 -1.41 0.66 0.00 -0.72 0.00 0.00 41.12 39.65 1t3t n ASP 730 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1t3t h ILE 731 N 3.98 0.87 0.00 5.18 2.10 -1.93 -1.65 117.51 126.06 1t3t h ILE 731 Ca -0.46 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 65.15 1t3t h ILE 731 Cb 1.26 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 38.18 1t3t h ILE 731 CO 0.90 0.09 0.00 0.29 -1.08 0.00 0.00 178.15 178.34 1t3t n LYS 732 N -4.16 0.06 0.18 2.19 5.02 -1.26 -1.14 118.16 119.05 1t3t n LYS 732 Ca -0.03 0.28 0.06 0.00 -2.02 0.00 0.00 58.31 56.61 1t3t n LYS 732 Cb 0.17 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 33.83 1t3t n LYS 732 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1t3t h ARG 733 N 0.00 0.00 -6.13 1.97 2.47 -1.61 -3.44 114.38 107.63 1t3t h ARG 733 Ca 0.00 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 58.14 1t3t h ARG 733 Cb 0.08 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.34 1t3t h ARG 733 CO 0.00 0.33 0.81 0.42 0.56 0.00 0.00 179.97 182.08 1t3t s ILE 734 N -3.16 4.64 -0.06 2.04 1.01 -0.29 -4.37 121.20 121.01 1t3t s ILE 734 Ca 0.04 1.94 0.02 0.00 0.00 0.00 0.00 60.65 62.65 1t3t s ILE 734 Cb 0.07 -4.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 1t3t s ILE 734 CO 0.70 -0.26 -0.10 -0.54 0.00 0.00 0.00 174.94 174.74 1t3t s LYS 735 N 3.31 2.63 0.03 2.79 -0.14 0.23 -4.08 119.74 124.52 1t3t s LYS 735 Ca 0.44 -0.62 0.04 0.00 -1.36 0.00 0.00 55.97 54.47 1t3t s LYS 735 Cb -0.14 -2.49 -0.04 0.00 -1.68 0.00 0.00 37.83 33.48 1t3t s LYS 735 CO 0.09 0.65 -0.06 -0.51 -0.76 0.00 0.00 175.35 174.75 1t3t s LEU 736 N -0.79 3.20 -0.17 3.17 1.02 0.34 -0.46 118.68 124.99 1t3t s LEU 736 Ca 0.12 -0.18 -0.02 0.00 0.02 0.00 0.00 54.13 54.07 1t3t s LEU 736 Cb -0.11 -1.88 -0.01 0.00 0.02 0.00 0.00 46.19 44.21 1t3t s LEU 736 CO 0.01 0.25 -0.08 -0.55 0.02 0.00 0.00 176.35 176.00 1t3t s SER 737 N -1.66 4.28 -0.28 2.29 0.15 0.08 -3.11 113.70 115.45 1t3t s SER 737 Ca 0.19 -0.31 -0.04 0.00 0.70 0.00 0.00 55.95 56.49 1t3t s SER 737 Cb -0.11 -1.69 0.02 0.00 -1.71 0.00 0.00 66.02 62.53 1t3t s SER 737 CO 0.10 0.10 0.01 0.00 1.20 0.00 0.00 173.24 174.65 1t3t s ALA 738 N 0.78 2.88 -0.23 5.45 0.00 -0.93 -1.55 121.76 128.15 1t3t s ALA 738 Ca -0.03 -1.51 -0.05 0.00 0.00 0.00 0.00 51.96 50.36 1t3t s ALA 738 Cb -0.15 -1.94 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 1t3t s ALA 738 CO 0.02 -0.95 0.01 -0.80 0.00 0.00 0.00 175.76 174.04 1t3t s ASN 739 N 1.39 4.67 -0.27 0.00 0.01 -0.66 -2.26 114.94 117.83 1t3t s ASN 739 Ca 0.00 -0.31 -0.08 0.00 -0.71 0.00 0.00 52.86 51.77 1t3t s ASN 739 Cb -0.17 -1.82 -0.02 0.00 0.41 0.00 0.00 41.25 39.65 1t3t s ASN 739 CO -0.01 -0.02 0.09 0.26 -1.51 0.00 0.00 177.10 175.91 1t3t s TRP 740 N 1.52 3.12 -0.12 2.20 0.52 -0.40 -1.12 118.94 124.66 1t3t s TRP 740 Ca 0.06 -0.50 -0.01 0.00 0.02 0.00 0.00 56.10 55.67 1t3t s TRP 740 Cb -0.15 -2.27 -0.02 0.00 -1.15 0.00 0.00 33.47 29.88 1t3t s TRP 740 CO -0.00 -0.40 -0.10 -1.64 0.02 0.00 0.00 176.95 174.83 1t3t s MET 741 N 1.61 3.30 0.13 4.98 -1.94 -0.47 -0.79 119.30 126.11 1t3t s MET 741 Ca 0.06 -0.62 -0.24 0.00 -1.71 0.00 0.00 55.69 53.17 1t3t s MET 741 Cb -0.16 -2.69 0.07 0.00 2.01 0.00 0.00 34.83 34.07 1t3t s MET 741 CO 0.04 0.32 0.71 0.00 -0.01 0.00 0.00 175.02 176.09 1t3t s ALA 742 N 0.09 -1.62 -1.11 3.03 0.00 -0.54 -0.25 121.76 121.35 1t3t s ALA 742 Ca -0.04 0.53 -0.08 0.00 0.00 0.00 0.00 51.96 52.37 1t3t s ALA 742 Cb -0.14 0.74 0.28 0.00 0.00 0.00 0.00 23.12 24.00 1t3t s ALA 742 CO 0.04 -0.79 1.17 0.00 0.00 0.00 0.00 175.76 176.18 1t3t n ALA 743 N -0.36 4.38 -1.68 0.00 0.00 -1.26 -1.39 120.51 120.21 1t3t n ALA 743 Ca -0.13 -4.69 -0.44 0.00 0.00 0.00 0.00 53.44 48.18 1t3t n ALA 743 Cb 0.63 -2.44 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 1t3t n ALA 743 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3t n ALA 744 N 2.46 1.16 0.00 0.00 0.00 -0.71 -1.52 120.51 121.90 1t3t n ALA 744 Ca 0.24 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1t3t n ALA 744 Cb 0.38 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1t3t n ALA 744 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t3t n GLY 745 N 1.92 3.24 3.75 0.00 0.00 -1.26 -4.93 105.19 107.91 1t3t n GLY 745 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1t3t n GLY 745 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1t3t s HIS 746 N -2.53 3.33 -0.42 1.61 5.04 -0.57 -4.88 115.29 116.86 1t3t s HIS 746 Ca 0.00 1.44 -0.43 0.00 -1.54 0.00 0.00 55.06 54.53 1t3t s HIS 746 Cb 0.00 -3.50 -0.17 0.00 0.04 0.00 0.00 32.58 28.95 1t3t s HIS 746 CO 0.00 -1.38 1.89 -2.30 -2.34 0.00 0.00 174.74 170.61 1t3t n PRO 747 N 1.77 0.44 0.00 2.88 -0.02 -1.26 -1.34 135.00 137.47 1t3t n PRO 747 Ca 0.02 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1t3t n PRO 747 Cb 0.43 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1t3t n PRO 747 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t3t n GLY 748 N 5.48 3.13 0.28 -1.23 0.00 -1.26 -4.48 105.19 107.11 1t3t n GLY 748 Ca 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.37 1t3t n GLY 748 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1t3t h GLU 749 N 1.53 0.71 0.15 1.61 4.39 -1.52 -1.12 114.58 120.33 1t3t h GLU 749 Ca 0.00 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 1t3t h GLU 749 Cb 0.00 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1t3t h GLU 749 CO 0.00 0.75 -0.07 -0.44 -1.16 0.00 0.00 179.01 178.09 1t3t h ASP 750 N 0.66 -0.17 -0.35 1.42 3.32 -1.87 0.15 116.42 119.59 1t3t h ASP 750 Ca 0.13 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 1t3t h ASP 750 Cb 0.46 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1t3t h ASP 750 CO 0.02 0.14 0.07 0.00 -1.72 0.00 0.00 179.24 177.75 1t3t h ALA 751 N 0.30 1.33 -0.75 3.45 0.00 -1.81 -2.14 119.26 119.64 1t3t h ALA 751 Ca -0.02 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1t3t h ALA 751 Cb 0.39 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1t3t h ALA 751 CO 0.03 0.47 0.25 0.78 0.00 0.00 0.00 179.25 180.78 1t3t h GLY 752 N 0.88 1.24 0.87 0.00 0.00 -1.05 -1.50 103.07 103.52 1t3t h GLY 752 Ca 0.14 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1t3t h GLY 752 CO 0.00 0.68 0.06 -2.00 0.00 0.00 0.00 176.54 175.28 1t3t h LEU 753 N 1.11 0.23 -0.56 3.11 5.85 -0.42 -0.67 115.31 123.95 1t3t h LEU 753 Ca 0.24 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1t3t h LEU 753 Cb 0.29 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1t3t h LEU 753 CO -0.01 0.34 0.34 0.22 -0.34 0.00 0.00 178.44 178.99 1t3t h TYR 754 N 0.10 0.64 -0.40 1.25 3.20 -1.24 0.02 116.97 120.55 1t3t h TYR 754 Ca 0.05 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 1t3t h TYR 754 Cb 0.19 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1t3t h TYR 754 CO -0.01 0.37 -0.07 0.22 -1.64 0.00 0.00 178.16 177.03 1t3t h ASP 755 N 0.68 0.66 -0.23 -2.11 3.58 -1.11 0.28 116.42 118.18 1t3t h ASP 755 Ca 0.22 -0.17 -0.08 0.00 0.42 0.00 0.00 57.03 57.42 1t3t h ASP 755 Cb 0.01 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.88 1t3t h ASP 755 CO -0.09 0.78 -0.16 0.00 -2.88 0.00 0.00 179.24 176.89 1t3t h ALA 756 N 1.29 0.32 -0.62 -0.78 0.00 -0.52 -0.01 119.26 118.95 1t3t h ALA 756 Ca 0.12 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1t3t h ALA 756 Cb 0.50 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1t3t h ALA 756 CO 0.03 0.22 0.11 0.28 0.00 0.00 0.00 179.25 179.88 1t3t h VAL 757 N 0.21 1.25 -0.56 0.00 2.07 -0.83 -2.59 116.25 115.80 1t3t h VAL 757 Ca 0.04 -0.98 -0.10 0.00 0.82 0.00 0.00 66.70 66.49 1t3t h VAL 757 Cb 0.68 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1t3t h VAL 757 CO 0.04 0.36 -0.03 0.50 0.02 0.00 0.00 177.57 178.46 1t3t h LYS 758 N 0.94 1.01 -0.64 1.57 3.64 -0.85 0.25 116.57 122.49 1t3t h LYS 758 Ca 0.19 -0.34 0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1t3t h LYS 758 Cb 0.40 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1t3t h LYS 758 CO 0.01 1.02 0.42 0.00 -2.27 0.00 0.00 179.45 178.63 1t3t h ALA 759 N 0.95 1.63 0.01 5.00 0.00 -0.63 -1.18 119.26 125.05 1t3t h ALA 759 Ca 0.15 -0.03 -0.38 0.00 0.00 0.00 0.00 54.91 54.65 1t3t h ALA 759 Cb 0.59 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1t3t h ALA 759 CO 0.04 0.31 -2.39 1.33 0.00 0.00 0.00 179.25 178.53 1t3t n VAL 760 N -4.46 1.50 0.11 0.00 0.24 -1.01 -0.76 118.33 113.95 1t3t n VAL 760 Ca 0.07 -0.65 -0.20 0.00 -2.04 0.00 0.00 64.34 61.52 1t3t n VAL 760 Cb 0.11 -1.22 -0.13 0.00 -1.47 0.00 0.00 33.84 31.13 1t3t n VAL 760 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1t3t h GLY 761 N 2.42 0.56 0.28 7.63 0.00 -0.52 -1.25 103.07 112.18 1t3t h GLY 761 Ca -0.55 -1.27 -0.14 0.00 0.00 0.00 0.00 47.33 45.38 1t3t h GLY 761 CO -0.04 1.11 -1.91 1.18 0.00 0.00 0.00 176.54 176.88 1t3t n GLU 762 N -3.70 0.66 0.00 4.80 -0.58 -0.48 -4.06 120.64 117.27 1t3t n GLU 762 Ca -0.13 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1t3t n GLU 762 Cb 1.01 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 30.28 1t3t n GLU 762 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1t3t n GLU 763 N -2.55 0.00 0.36 3.49 1.02 -1.02 -4.78 120.64 117.16 1t3t n GLU 763 Ca -0.13 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.82 1t3t n GLU 763 Cb 0.79 -0.05 -0.10 0.00 -0.02 0.00 0.00 31.44 32.06 1t3t n GLU 763 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1t3t h LEU 764 N 0.00 -1.32 -0.56 -4.62 5.85 -1.07 -2.36 115.31 111.23 1t3t h LEU 764 Ca 0.00 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1t3t h LEU 764 Cb 0.00 0.41 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1t3t h LEU 764 CO 0.00 -0.71 0.34 0.00 -0.34 0.00 0.00 178.44 177.72 1t3t h PRO 766 N 0.66 0.67 -0.16 0.00 0.11 -1.72 0.25 132.00 131.81 1t3t h PRO 766 Ca 0.23 -0.08 -0.16 0.00 0.11 0.00 0.00 66.00 66.10 1t3t h PRO 766 Cb 0.03 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 1t3t h PRO 766 CO -0.10 0.52 -0.58 0.37 -0.21 0.00 0.00 178.00 178.00 1t3t h GLN 767 N 0.67 0.50 0.00 1.05 4.15 -0.87 -3.16 115.11 117.45 1t3t h GLN 767 Ca 0.17 -0.33 -0.10 0.00 0.77 0.00 0.00 58.65 59.15 1t3t h GLN 767 Cb 0.08 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1t3t h GLN 767 CO -0.02 0.94 -0.54 -0.07 -1.93 0.00 0.00 178.83 177.21 1t3t h LEU 768 N 0.38 0.00 -0.05 -2.39 3.38 -0.61 -3.48 115.31 112.54 1t3t h LEU 768 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1t3t h LEU 768 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1t3t h LEU 768 CO 0.11 0.49 0.00 0.61 0.09 0.00 0.00 178.44 179.73 1t3t n GLY 769 N 1.23 1.28 3.56 0.83 0.00 0.67 -4.81 105.19 107.96 1t3t n GLY 769 Ca 0.01 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 1t3t n GLY 769 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t3t s LEU 770 N -0.05 3.63 0.06 0.99 1.43 -0.06 -4.11 118.68 120.57 1t3t s LEU 770 Ca 0.00 -0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 52.98 1t3t s LEU 770 Cb 0.00 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 1t3t s LEU 770 CO 0.00 0.11 0.37 -0.89 0.23 0.00 0.00 176.35 176.17 1t3t s THR 771 N 0.75 5.15 -0.66 5.49 2.01 -1.26 -4.38 115.64 122.73 1t3t s THR 771 Ca 0.03 0.38 0.05 0.00 0.31 0.00 0.00 61.69 62.45 1t3t s THR 771 Cb -0.14 -3.63 0.16 0.00 0.01 0.00 0.00 72.50 68.91 1t3t s THR 771 CO 0.02 0.31 0.45 -0.63 -0.69 0.00 0.00 174.62 174.08 1t3t s ILE 772 N -1.37 2.77 -1.85 1.82 1.01 -1.26 -0.50 121.20 121.81 1t3t s ILE 772 Ca 0.32 -4.07 0.30 0.00 0.00 0.00 0.00 60.65 57.20 1t3t s ILE 772 Cb -0.14 -2.84 0.63 0.00 0.01 0.00 0.00 42.46 40.13 1t3t s ILE 772 CO 0.18 -0.98 2.00 -0.81 0.00 0.00 0.00 174.94 175.33 1t3t n PRO 773 N 2.20 0.89 -3.92 2.79 -0.04 -1.18 -4.78 135.00 130.96 1t3t n PRO 773 Ca 0.17 -0.22 -0.09 0.00 -0.04 0.00 0.00 63.50 63.32 1t3t n PRO 773 Cb 0.35 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.24 1t3t n PRO 773 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1t3t s VAL 774 N -2.26 0.10 0.00 0.52 -7.23 -1.24 -3.51 120.40 106.77 1t3t s VAL 774 Ca 0.37 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 1t3t s VAL 774 Cb 0.21 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.51 1t3t s VAL 774 CO 0.42 -0.44 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 1t3t n GLY 775 N -0.15 -0.90 3.74 2.32 0.00 -1.26 -2.20 105.19 106.74 1t3t n GLY 775 Ca -0.10 -1.12 -0.07 0.00 0.00 0.00 0.00 46.02 44.72 1t3t n GLY 775 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1t3t s LYS 776 N -2.00 1.55 -0.00 1.61 2.47 -0.96 -4.95 119.74 117.46 1t3t s LYS 776 Ca 0.00 -0.80 -0.05 0.00 -1.56 0.00 0.00 55.97 53.56 1t3t s LYS 776 Cb 0.00 0.56 -0.00 0.00 -1.46 0.00 0.00 37.83 36.93 1t3t s LYS 776 CO 0.00 -0.70 0.09 0.16 0.16 0.00 0.00 175.35 175.05 1t3t s ASP 777 N -2.87 0.06 -0.21 1.43 -4.77 -1.26 -1.27 116.67 107.78 1t3t s ASP 777 Ca 0.09 -0.21 -0.03 0.00 -3.30 0.00 0.00 52.55 49.10 1t3t s ASP 777 Cb -0.04 0.18 0.07 0.00 -1.09 0.00 0.00 42.92 42.04 1t3t s ASP 777 CO 0.02 -0.29 0.06 -0.55 0.70 0.00 0.00 175.17 175.10 1t3t s SER 778 N -1.15 2.98 -0.21 2.11 0.15 0.03 -4.96 113.70 112.65 1t3t s SER 778 Ca -0.12 -0.90 0.15 0.00 0.70 0.00 0.00 55.95 55.78 1t3t s SER 778 Cb -0.07 -0.55 0.72 0.00 -1.71 0.00 0.00 66.02 64.41 1t3t s SER 778 CO 0.01 -0.33 1.63 0.23 1.20 0.00 0.00 173.24 175.98 1t3t n MET 779 N 5.08 4.17 -2.57 5.44 2.81 -1.26 -1.47 117.12 129.32 1t3t n MET 779 Ca -0.08 -3.03 -0.16 0.00 -1.81 0.00 0.00 57.70 52.62 1t3t n MET 779 Cb 0.47 -2.09 0.02 0.00 -0.71 0.00 0.00 33.22 30.90 1t3t n MET 779 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1t3t n SER 780 N 0.30 2.83 -3.68 7.83 3.41 -0.99 -1.73 113.62 121.59 1t3t n SER 780 Ca 0.25 -3.08 -0.42 0.00 -0.26 0.00 0.00 58.87 55.37 1t3t n SER 780 Cb 1.07 -0.49 -0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1t3t n SER 780 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1t3t n MET 781 N -0.29 3.08 -3.58 4.33 2.81 -0.48 -4.84 117.12 118.14 1t3t n MET 781 Ca 0.22 -2.64 -0.17 0.00 -1.81 0.00 0.00 57.70 53.30 1t3t n MET 781 Cb 0.77 -3.17 -0.07 0.00 -0.71 0.00 0.00 33.22 30.04 1t3t n MET 781 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1t3t s LYS 782 N 2.71 0.97 -0.02 0.03 -2.85 -1.26 -1.96 119.74 117.35 1t3t s LYS 782 Ca 0.50 0.12 0.04 0.00 -1.00 0.00 0.00 55.97 55.62 1t3t s LYS 782 Cb 0.14 0.45 -0.00 0.00 -2.06 0.00 0.00 37.83 36.36 1t3t s LYS 782 CO -0.08 -0.30 -0.13 0.99 0.10 0.00 0.00 175.35 175.93 1t3t s THR 783 N -1.33 1.06 0.04 3.79 2.01 -0.34 -4.90 115.64 115.97 1t3t s THR 783 Ca -0.11 -0.54 0.07 0.00 0.31 0.00 0.00 61.69 61.42 1t3t s THR 783 Cb -0.01 -0.91 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 1t3t s THR 783 CO 0.08 0.31 -0.20 -0.13 -0.69 0.00 0.00 174.62 173.99 1t3t s ARG 784 N -0.08 1.33 0.04 4.92 0.52 -1.26 -1.22 118.95 123.20 1t3t s ARG 784 Ca 0.01 -0.92 -0.28 0.00 -0.52 0.00 0.00 55.73 54.01 1t3t s ARG 784 Cb -0.08 -1.44 0.09 0.00 0.52 0.00 0.00 34.95 34.05 1t3t s ARG 784 CO 0.00 0.36 1.00 1.67 0.02 0.00 0.00 175.30 178.36 1t3t s TRP 785 N -0.81 -0.20 -0.23 -0.53 -2.14 -0.62 -4.86 118.94 109.55 1t3t s TRP 785 Ca 0.07 0.01 -0.07 0.00 2.66 0.00 0.00 56.10 58.76 1t3t s TRP 785 Cb -0.09 0.58 -0.03 0.00 -3.10 0.00 0.00 33.47 30.83 1t3t s TRP 785 CO 0.02 -0.58 0.07 -0.65 -2.66 0.00 0.00 176.95 173.14 1t3t s GLN 786 N -3.02 3.74 -0.00 3.25 -0.21 -1.26 0.38 119.66 122.53 1t3t s GLN 786 Ca 0.09 -0.45 -0.00 0.00 0.02 0.00 0.00 55.36 55.03 1t3t s GLN 786 Cb -0.00 -3.28 -0.00 0.00 1.00 0.00 0.00 33.01 30.72 1t3t s GLN 786 CO -0.03 -0.05 0.05 1.49 -2.12 0.00 0.00 175.29 174.63 1t3t h GLU 787 N 7.79 -0.00 0.00 2.91 4.57 -1.83 -3.48 114.58 124.53 1t3t h GLU 787 Ca -0.37 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 1t3t h GLU 787 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1t3t h GLU 787 CO 0.61 -0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.84 1t3t n GLY 788 N 1.83 0.43 0.12 1.92 0.00 -1.26 -4.94 105.19 103.29 1t3t n GLY 788 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1t3t n GLY 788 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1t3t n ASN 789 N 0.00 0.95 -4.74 1.61 3.02 -1.26 -4.99 115.26 109.86 1t3t n ASN 789 Ca 0.00 -0.98 -0.29 0.00 -0.03 0.00 0.00 54.58 53.28 1t3t n ASN 789 Cb 0.00 0.80 -0.07 0.00 -0.61 0.00 0.00 39.78 39.90 1t3t n ASN 789 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1t3t s GLU 790 N -2.06 2.72 0.30 3.52 2.02 -1.26 -5.11 118.70 118.83 1t3t s GLU 790 Ca 0.08 -0.81 -0.25 0.00 0.02 0.00 0.00 54.97 54.01 1t3t s GLU 790 Cb 0.11 -2.61 -0.09 0.00 0.10 0.00 0.00 34.13 31.63 1t3t s GLU 790 CO 0.48 0.53 0.89 -0.65 0.02 0.00 0.00 175.26 176.54 1t3t s GLN 791 N -2.53 4.51 0.10 1.61 -0.21 -1.26 -2.43 119.66 119.46 1t3t s GLN 791 Ca 0.28 1.22 0.05 0.00 0.02 0.00 0.00 55.36 56.94 1t3t s GLN 791 Cb -0.11 -2.82 -0.03 0.00 1.00 0.00 0.00 33.01 31.04 1t3t s GLN 791 CO 0.21 0.31 -0.14 1.03 -2.12 0.00 0.00 175.29 174.58 1t3t s ARG 792 N -2.03 0.94 -0.06 2.91 0.52 0.16 -4.90 118.95 116.49 1t3t s ARG 792 Ca 0.48 -1.14 -0.08 0.00 -0.52 0.00 0.00 55.73 54.47 1t3t s ARG 792 Cb -0.18 -0.83 0.02 0.00 0.52 0.00 0.00 34.95 34.47 1t3t s ARG 792 CO 0.23 0.16 0.20 -2.00 0.02 0.00 0.00 175.30 173.92 1t3t s GLU 793 N -2.40 0.34 -0.20 3.54 2.12 -1.26 -1.58 118.70 119.26 1t3t s GLU 793 Ca 0.05 0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.49 1t3t s GLU 793 Cb -0.06 0.15 0.04 0.00 0.26 0.00 0.00 34.13 34.52 1t3t s GLU 793 CO 0.02 -0.06 -0.11 1.41 -0.54 0.00 0.00 175.26 175.99 1t3t s MET 794 N -0.34 2.06 -0.12 4.30 -2.45 -0.36 -4.35 119.30 118.05 1t3t s MET 794 Ca -0.04 -0.84 0.00 0.00 -1.25 0.00 0.00 55.69 53.56 1t3t s MET 794 Cb -0.03 -2.42 -0.02 0.00 1.25 0.00 0.00 34.83 33.62 1t3t s MET 794 CO 0.01 -0.42 -0.12 0.99 1.05 0.00 0.00 175.02 176.53 1t3t s THR 795 N 1.39 3.14 0.48 10.11 2.01 -0.97 -1.20 115.64 130.60 1t3t s THR 795 Ca -0.01 -0.64 -0.20 0.00 0.31 0.00 0.00 61.69 61.15 1t3t s THR 795 Cb -0.16 -2.31 -0.09 0.00 0.01 0.00 0.00 72.50 69.95 1t3t s THR 795 CO -0.08 0.53 1.01 -0.44 -0.69 0.00 0.00 174.62 174.95 1t3t s SER 796 N 0.16 6.49 0.79 3.53 0.01 -0.83 -1.99 113.70 121.87 1t3t s SER 796 Ca -0.07 1.84 -0.11 0.00 1.31 0.00 0.00 55.95 58.92 1t3t s SER 796 Cb -0.15 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 63.60 1t3t s SER 796 CO 0.05 -0.68 1.09 -2.84 0.41 0.00 0.00 173.24 171.27 1t3t s PRO 797 N -3.30 2.10 0.22 12.44 0.02 -1.26 -4.58 135.00 140.64 1t3t s PRO 797 Ca 0.65 0.90 -0.32 0.00 0.02 0.00 0.00 61.00 62.26 1t3t s PRO 797 Cb -0.14 -1.90 -0.12 0.00 0.02 0.00 0.00 34.50 32.36 1t3t s PRO 797 CO 0.19 -1.68 1.68 -1.17 -0.33 0.00 0.00 177.00 175.70 1t3t s LEU 798 N -5.88 4.37 -0.35 -5.54 2.96 -1.26 -4.74 118.68 108.23 1t3t s LEU 798 Ca 0.61 2.85 0.02 0.00 -0.22 0.00 0.00 54.13 57.39 1t3t s LEU 798 Cb -0.16 -3.61 0.11 0.00 0.50 0.00 0.00 46.19 43.03 1t3t s LEU 798 CO 0.56 -0.94 0.10 -0.44 -1.32 0.00 0.00 176.35 174.31 1t3t s SER 799 N 1.05 4.34 -0.17 3.68 0.01 0.65 -4.65 113.70 118.61 1t3t s SER 799 Ca 0.72 -2.07 -0.18 0.00 1.31 0.00 0.00 55.95 55.73 1t3t s SER 799 Cb -0.49 -1.28 -0.04 0.00 0.21 0.00 0.00 66.02 64.43 1t3t s SER 799 CO 0.35 -0.37 0.49 -0.22 0.41 0.00 0.00 173.24 173.90 1t3t s LEU 800 N 1.03 4.19 -0.24 2.44 2.96 -1.26 -1.37 118.68 126.42 1t3t s LEU 800 Ca 0.12 0.71 -0.02 0.00 -0.22 0.00 0.00 54.13 54.72 1t3t s LEU 800 Cb -0.19 -2.69 0.02 0.00 0.50 0.00 0.00 46.19 43.83 1t3t s LEU 800 CO -0.13 -0.11 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.04 1t3t s VAL 801 N 1.27 2.89 -0.21 1.68 1.01 -0.27 -4.32 120.40 122.45 1t3t s VAL 801 Ca 0.24 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 1t3t s VAL 801 Cb -0.15 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1t3t s VAL 801 CO 0.10 0.22 0.17 -0.63 0.00 0.00 0.00 175.10 174.96 1t3t s ILE 802 N 1.34 5.37 -0.17 2.22 -1.09 0.29 -1.65 121.20 127.50 1t3t s ILE 802 Ca 0.01 0.24 -0.01 0.00 -2.23 0.00 0.00 60.65 58.66 1t3t s ILE 802 Cb -0.16 -3.51 -0.00 0.00 -1.58 0.00 0.00 42.46 37.21 1t3t s ILE 802 CO -0.05 0.39 -0.13 -0.44 -1.23 0.00 0.00 174.94 173.48 1t3t s SER 803 N 0.66 3.77 -0.14 3.58 0.01 -0.60 0.17 113.70 121.15 1t3t s SER 803 Ca 0.09 -0.46 -0.04 0.00 1.31 0.00 0.00 55.95 56.84 1t3t s SER 803 Cb -0.12 -1.60 -0.03 0.00 0.21 0.00 0.00 66.02 64.48 1t3t s SER 803 CO 0.01 0.06 0.02 0.00 0.41 0.00 0.00 173.24 173.74 1t3t s ALA 804 N 0.97 3.30 0.03 1.44 0.00 0.84 -0.74 121.76 127.60 1t3t s ALA 804 Ca -0.02 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1t3t s ALA 804 Cb -0.15 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 1t3t s ALA 804 CO -0.02 0.36 -0.17 -0.06 0.00 0.00 0.00 175.76 175.87 1t3t s PHE 805 N -0.18 1.52 -0.11 0.00 0.08 0.39 -1.06 117.98 118.63 1t3t s PHE 805 Ca 0.06 -0.35 -0.29 0.00 0.12 0.00 0.00 56.93 56.47 1t3t s PHE 805 Cb -0.12 -0.91 0.07 0.00 -0.57 0.00 0.00 43.02 41.48 1t3t s PHE 805 CO 0.02 0.05 0.68 0.00 -0.10 0.00 0.00 175.22 175.87 1t3t s ALA 806 N -0.76 -1.73 0.27 5.36 0.00 -0.74 -0.60 121.76 123.56 1t3t s ALA 806 Ca 0.05 1.48 -0.29 0.00 0.00 0.00 0.00 51.96 53.20 1t3t s ALA 806 Cb -0.08 -0.33 -0.09 0.00 0.00 0.00 0.00 23.12 22.61 1t3t s ALA 806 CO 0.01 -0.36 1.18 0.50 0.00 0.00 0.00 175.76 177.09 1t3t s ARG 807 N -0.74 4.53 -0.13 0.00 3.52 -1.26 -0.49 118.95 124.37 1t3t s ARG 807 Ca -0.08 1.93 -0.02 0.00 -0.13 0.00 0.00 55.73 57.43 1t3t s ARG 807 Cb -0.02 -3.17 -0.03 0.00 -1.56 0.00 0.00 34.95 30.18 1t3t s ARG 807 CO 0.07 0.04 -0.05 0.08 -0.81 0.00 0.00 175.30 174.63 1t3t s VAL 808 N -0.91 3.81 0.15 7.11 1.01 0.66 -4.70 120.40 127.53 1t3t s VAL 808 Ca 0.48 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 1t3t s VAL 808 Cb -0.34 -2.64 -0.16 0.00 0.00 0.00 0.00 36.38 33.24 1t3t s VAL 808 CO 0.43 0.52 1.34 -0.08 0.00 0.00 0.00 175.10 177.32 1t3t h GLU 809 N 6.34 0.36 -1.25 2.72 4.57 -0.99 -1.31 114.58 125.02 1t3t h GLU 809 Ca -0.35 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 57.46 1t3t h GLU 809 Cb 1.19 0.10 -0.23 0.00 -0.16 0.00 0.00 28.75 29.65 1t3t h GLU 809 CO 0.60 1.05 -0.36 0.34 -1.18 0.00 0.00 179.01 179.45 1t3t s ASP 810 N -7.03 -0.94 0.54 1.04 -1.08 -1.25 -4.41 116.67 103.54 1t3t s ASP 810 Ca -0.05 0.49 0.20 0.00 -0.52 0.00 0.00 52.55 52.67 1t3t s ASP 810 Cb 0.09 1.83 1.40 0.00 -1.46 0.00 0.00 42.92 44.79 1t3t s ASP 810 CO 0.85 -0.28 2.16 0.58 0.52 0.00 0.00 175.17 179.00 1t3t h VAL 811 N 6.05 0.87 0.00 1.11 2.07 -0.90 -2.85 116.25 122.60 1t3t h VAL 811 Ca -0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1t3t h VAL 811 Cb 1.16 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1t3t h VAL 811 CO 0.24 0.00 0.00 0.03 0.02 0.00 0.00 177.57 177.86 1t3t h ARG 812 N 0.00 0.00 -0.54 1.57 3.08 -1.96 -3.23 114.38 113.30 1t3t h ARG 812 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1t3t h ARG 812 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1t3t h ARG 812 CO -0.00 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.62 1t3t n HIS 813 N -2.48 0.72 -2.12 3.04 8.25 -1.08 -4.96 115.22 116.59 1t3t n HIS 813 Ca 0.02 -0.36 -0.41 0.00 -0.26 0.00 0.00 57.72 56.71 1t3t n HIS 813 Cb 0.28 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.36 1t3t n HIS 813 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1t3t s THR 814 N -1.28 2.93 0.06 1.59 2.01 -1.22 -4.69 115.64 115.03 1t3t s THR 814 Ca 0.42 0.78 0.01 0.00 0.31 0.00 0.00 61.69 63.21 1t3t s THR 814 Cb 0.23 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 1t3t s THR 814 CO 0.30 0.12 0.13 -0.76 -0.69 0.00 0.00 174.62 173.73 1t3t s LEU 815 N -0.34 4.05 0.48 4.42 1.43 -0.59 -5.03 118.68 123.09 1t3t s LEU 815 Ca 0.57 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.82 1t3t s LEU 815 Cb -0.39 -2.65 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 1t3t s LEU 815 CO 0.41 0.19 0.03 0.42 0.23 0.00 0.00 176.35 177.62 1t3t s THR 816 N -1.41 1.16 -1.70 5.49 -4.23 -1.26 -4.75 115.64 108.93 1t3t s THR 816 Ca 0.31 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.07 1t3t s THR 816 Cb -0.12 -2.30 0.58 0.00 1.34 0.00 0.00 72.50 72.00 1t3t s THR 816 CO 0.23 0.00 1.87 -2.65 -0.54 0.00 0.00 174.62 173.54 1t3t n PRO 817 N -1.16 0.58 -1.77 3.99 -0.02 -1.14 -1.53 135.00 133.94 1t3t n PRO 817 Ca -0.15 0.03 -0.39 0.00 -2.02 0.00 0.00 63.50 60.97 1t3t n PRO 817 Cb 0.67 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.62 1t3t n PRO 817 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1t3t s GLN 818 N -2.30 2.58 0.50 -0.52 0.74 -1.26 -4.45 119.66 114.96 1t3t s GLN 818 Ca 0.31 1.26 -0.22 0.00 0.05 0.00 0.00 55.36 56.77 1t3t s GLN 818 Cb 0.17 -4.44 -0.06 0.00 1.10 0.00 0.00 33.01 29.78 1t3t s GLN 818 CO 0.34 -2.74 1.19 -0.51 -0.55 0.00 0.00 175.29 173.02 1t3t s LEU 819 N 9.94 3.90 0.10 3.68 1.43 -1.25 -4.68 118.68 131.81 1t3t s LEU 819 Ca 0.86 2.36 0.01 0.00 -1.03 0.00 0.00 54.13 56.33 1t3t s LEU 819 Cb -0.19 -4.35 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 1t3t s LEU 819 CO 0.27 -1.14 0.22 -0.55 0.23 0.00 0.00 176.35 175.38 1t3t s SER 820 N -1.40 6.24 0.00 2.29 0.15 -1.26 -4.51 113.70 115.21 1t3t s SER 820 Ca 0.68 0.19 0.19 0.00 0.70 0.00 0.00 55.95 57.71 1t3t s SER 820 Cb -0.30 -1.88 0.43 0.00 -1.71 0.00 0.00 66.02 62.57 1t3t s SER 820 CO 0.35 0.12 1.36 0.35 1.20 0.00 0.00 173.24 176.62 1t3t n THR 821 N -0.05 0.70 -1.21 6.45 -2.24 -1.26 -4.75 114.28 111.93 1t3t n THR 821 Ca -0.06 -0.85 -0.29 0.00 -2.27 0.00 0.00 64.05 60.58 1t3t n THR 821 Cb 0.52 0.77 0.16 0.00 -2.10 0.00 0.00 70.33 69.69 1t3t n THR 821 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1t3t s GLU 822 N -1.19 0.74 -0.29 -0.78 -1.05 -1.26 -4.76 118.70 110.11 1t3t s GLU 822 Ca 0.36 0.59 -0.39 0.00 -0.15 0.00 0.00 54.97 55.38 1t3t s GLU 822 Cb 0.20 -1.77 -0.15 0.00 -0.44 0.00 0.00 34.13 31.98 1t3t s GLU 822 CO 0.27 -2.54 1.85 -0.25 0.95 0.00 0.00 175.26 175.55 1t3t n ASP 823 N -4.05 2.37 -4.11 0.83 10.43 -1.26 -4.90 116.55 115.86 1t3t n ASP 823 Ca 0.06 0.94 -0.11 0.00 2.57 0.00 0.00 54.79 58.25 1t3t n ASP 823 Cb 0.57 -1.17 -0.08 0.00 1.84 0.00 0.00 41.12 42.28 1t3t n ASP 823 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1t3t s ASN 824 N 4.37 0.07 -0.03 -2.24 4.22 -1.26 -1.50 114.94 118.57 1t3t s ASN 824 Ca 1.01 -1.17 0.02 0.00 -2.14 0.00 0.00 52.86 50.57 1t3t s ASN 824 Cb -1.02 0.44 0.01 0.00 1.28 0.00 0.00 41.25 41.96 1t3t s ASN 824 CO 0.62 -0.93 -0.06 0.00 -2.04 0.00 0.00 177.10 174.69 1t3t s ALA 825 N -4.08 0.72 -0.24 3.54 0.00 0.50 -4.55 121.76 117.64 1t3t s ALA 825 Ca 0.30 -0.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.00 1t3t s ALA 825 Cb 0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1t3t s ALA 825 CO 0.09 0.06 0.14 -0.51 0.00 0.00 0.00 175.76 175.53 1t3t s LEU 826 N 0.54 3.91 -0.10 0.00 1.43 -0.06 -1.19 118.68 123.20 1t3t s LEU 826 Ca -0.08 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1t3t s LEU 826 Cb -0.11 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.06 1t3t s LEU 826 CO 0.00 0.03 -0.20 -0.76 0.23 0.00 0.00 176.35 175.65 1t3t s LEU 827 N 1.25 1.96 -0.05 1.79 1.43 -0.17 -0.77 118.68 124.13 1t3t s LEU 827 Ca 0.06 -0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 52.48 1t3t s LEU 827 Cb -0.14 -1.27 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 1t3t s LEU 827 CO 0.05 0.10 0.48 -0.22 0.23 0.00 0.00 176.35 177.00 1t3t s LEU 828 N 0.60 4.38 -0.44 1.79 2.96 0.71 -1.23 118.68 127.46 1t3t s LEU 828 Ca -0.14 0.95 -0.05 0.00 -0.22 0.00 0.00 54.13 54.68 1t3t s LEU 828 Cb -0.17 -2.72 0.12 0.00 0.50 0.00 0.00 46.19 43.92 1t3t s LEU 828 CO 0.04 0.13 0.26 -0.63 -1.32 0.00 0.00 176.35 174.83 1t3t s ILE 829 N -0.15 3.57 -0.80 6.68 1.01 0.46 -1.09 121.20 130.89 1t3t s ILE 829 Ca 0.26 -2.04 -0.18 0.00 0.00 0.00 0.00 60.65 58.70 1t3t s ILE 829 Cb -0.16 -3.41 0.15 0.00 0.01 0.00 0.00 42.46 39.04 1t3t s ILE 829 CO 0.13 -0.73 0.91 -0.62 0.00 0.00 0.00 174.94 174.63 1t3t s ASP 830 N 1.99 6.53 0.00 3.58 2.15 0.35 -1.77 116.67 129.50 1t3t s ASP 830 Ca 0.08 -2.03 0.19 0.00 0.43 0.00 0.00 52.55 51.23 1t3t s ASP 830 Cb -0.23 -2.32 0.94 0.00 -0.30 0.00 0.00 42.92 41.01 1t3t s ASP 830 CO -0.03 -0.95 1.60 0.18 -0.17 0.00 0.00 175.17 175.80 1t3t n LEU 831 N 5.80 0.00 0.00 -1.34 4.32 -0.49 -2.18 117.00 123.12 1t3t n LEU 831 Ca 0.11 0.33 0.13 0.00 -0.02 0.00 0.00 56.01 56.56 1t3t n LEU 831 Cb 0.47 -0.33 0.60 0.00 -1.62 0.00 0.00 43.42 42.54 1t3t n LEU 831 CO 0.48 -0.12 0.93 0.61 -1.22 0.00 0.00 177.39 178.07 1t3t n GLY 832 N 0.38 -1.30 4.01 -0.72 0.00 -1.23 -4.36 105.19 101.97 1t3t n GLY 832 Ca 0.08 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1t3t n GLY 832 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1t3t n LYS 833 N -1.41 -4.67 -0.94 1.61 5.02 -0.92 -1.19 118.16 115.66 1t3t n LYS 833 Ca 0.09 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1t3t n LYS 833 Cb 0.27 -5.32 0.00 0.00 -0.02 0.00 0.00 35.03 29.96 1t3t n LYS 833 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1t3t n GLY 834 N -1.61 0.66 0.34 0.72 0.00 -1.26 -4.90 105.19 99.15 1t3t n GLY 834 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 1t3t n GLY 834 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1t3t h HIS 835 N 0.00 1.18 -6.33 1.61 3.86 -1.56 -3.47 115.15 110.44 1t3t h HIS 835 Ca 0.00 -0.08 -0.48 0.00 -1.16 0.00 0.00 60.37 58.65 1t3t h HIS 835 Cb 0.07 -0.36 -0.04 0.00 1.06 0.00 0.00 27.41 28.14 1t3t h HIS 835 CO 0.04 0.88 -0.79 0.09 0.86 0.00 0.00 177.93 179.02 1t3t n ASN 836 N -4.28 -3.65 -4.77 2.45 3.02 -1.26 -4.91 115.26 101.85 1t3t n ASN 836 Ca 0.07 -0.83 -0.41 0.00 -0.03 0.00 0.00 54.58 53.38 1t3t n ASN 836 Cb 0.18 -3.73 -0.01 0.00 -0.61 0.00 0.00 39.78 35.61 1t3t n ASN 836 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1t3t s ALA 837 N -3.42 3.62 -0.63 5.41 0.00 -1.26 -4.75 121.76 120.73 1t3t s ALA 837 Ca 0.50 1.57 0.06 0.00 0.00 0.00 0.00 51.96 54.10 1t3t s ALA 837 Cb -0.26 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.26 1t3t s ALA 837 CO 0.84 -1.03 0.55 1.28 0.00 0.00 0.00 175.76 177.40 1t3t n LEU 838 N 0.94 1.10 -4.75 0.00 4.77 -1.22 -3.88 117.00 113.96 1t3t n LEU 838 Ca 0.03 -0.82 -0.41 0.00 -0.03 0.00 0.00 56.01 54.77 1t3t n LEU 838 Cb 0.39 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1t3t n LEU 838 CO 0.64 0.23 1.00 -0.83 -1.33 0.00 0.00 177.39 177.09 1t3t s GLY 839 N -0.90 2.63 -1.42 -0.72 0.00 -0.24 -3.25 107.32 103.41 1t3t s GLY 839 Ca 0.06 1.19 -0.10 0.00 0.00 0.00 0.00 44.72 45.87 1t3t s GLY 839 CO 0.14 2.03 1.08 0.00 0.00 0.00 0.00 173.10 176.35 1t3t n ALA 840 N 1.92 -1.27 -2.19 3.20 0.00 0.27 -4.01 120.51 118.43 1t3t n ALA 840 Ca 0.04 0.34 -0.21 0.00 0.00 0.00 0.00 53.44 53.61 1t3t n ALA 840 Cb 0.42 -5.09 -0.01 0.00 0.00 0.00 0.00 19.45 14.77 1t3t n ALA 840 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1t3t s THR 841 N -3.30 2.50 0.24 0.00 -4.23 -1.20 -4.43 115.64 105.22 1t3t s THR 841 Ca 0.59 -1.26 -0.07 0.00 -1.18 0.00 0.00 61.69 59.77 1t3t s THR 841 Cb -0.27 -2.76 0.22 0.00 1.34 0.00 0.00 72.50 71.03 1t3t s THR 841 CO 0.73 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 176.68 1t3t h ALA 842 N 0.81 1.19 -0.27 3.99 0.00 -1.91 -1.19 119.26 121.88 1t3t h ALA 842 Ca -0.39 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.44 1t3t h ALA 842 Cb 1.28 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1t3t h ALA 842 CO 0.53 0.67 0.07 1.25 0.00 0.00 0.00 179.25 181.77 1t3t h LEU 843 N 1.29 0.05 -0.16 0.00 5.85 -1.91 -0.58 115.31 119.84 1t3t h LEU 843 Ca 0.33 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 1t3t h LEU 843 Cb -0.02 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1t3t h LEU 843 CO -0.06 0.06 0.07 0.00 -0.34 0.00 0.00 178.44 178.17 1t3t h ALA 844 N 1.19 0.21 -0.79 1.25 0.00 -1.67 -3.04 119.26 116.41 1t3t h ALA 844 Ca 0.12 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1t3t h ALA 844 Cb 0.11 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 1t3t h ALA 844 CO -0.15 -0.21 0.48 0.37 0.00 0.00 0.00 179.25 179.74 1t3t h GLN 845 N 0.11 0.85 0.00 0.00 4.15 -1.00 -0.07 115.11 119.15 1t3t h GLN 845 Ca 0.05 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1t3t h GLN 845 Cb 0.16 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1t3t h GLN 845 CO -0.01 0.56 0.00 0.28 -1.93 0.00 0.00 178.83 177.74 1t3t h VAL 846 N 0.88 0.00 -0.25 2.39 2.07 -1.04 -0.87 116.25 119.43 1t3t h VAL 846 Ca 0.34 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.64 1t3t h VAL 846 Cb 0.16 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1t3t h VAL 846 CO -0.17 0.00 -0.03 -1.22 0.02 0.00 0.00 177.57 176.17 1t3t n TYR 847 N -3.00 0.85 -3.35 1.57 4.01 -0.54 -4.32 117.16 112.37 1t3t n TYR 847 Ca -0.02 -1.13 -0.24 0.00 -0.16 0.00 0.00 57.90 56.35 1t3t n TYR 847 Cb 0.15 -0.35 0.03 0.00 -0.31 0.00 0.00 39.34 38.86 1t3t n TYR 847 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1t3t n ARG 848 N -0.84 -5.05 -4.39 -0.72 1.74 -0.33 -4.99 116.66 102.08 1t3t n ARG 848 Ca 0.24 0.73 -0.19 0.00 -0.77 0.00 0.00 57.85 57.86 1t3t n ARG 848 Cb 0.90 -5.58 -0.10 0.00 -1.02 0.00 0.00 32.46 26.65 1t3t n ARG 848 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1t3t s GLN 849 N -6.04 1.49 -0.11 5.56 -0.21 -0.15 -4.99 119.66 115.21 1t3t s GLN 849 Ca 0.44 -1.79 0.09 0.00 0.02 0.00 0.00 55.36 54.12 1t3t s GLN 849 Cb -0.21 -0.76 -0.13 0.00 1.00 0.00 0.00 33.01 32.91 1t3t s GLN 849 CO 0.54 -0.13 0.02 -0.11 -2.12 0.00 0.00 175.29 173.49 1t3t n LEU 850 N -0.54 0.37 0.00 2.90 7.94 -1.26 -3.26 117.00 123.14 1t3t n LEU 850 Ca -0.04 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 1t3t n LEU 850 Cb 0.65 0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.78 1t3t n LEU 850 CO 0.39 0.33 0.00 0.61 -1.11 0.00 0.00 177.39 177.62 1t3t n GLY 851 N 2.38 -2.54 0.00 -3.96 0.00 -1.25 0.96 105.19 100.78 1t3t n GLY 851 Ca -0.19 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1t3t n GLY 851 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t3t n ASP 852 N -0.01 0.00 -4.30 1.61 2.03 -0.98 -2.60 116.55 112.30 1t3t n ASP 852 Ca 0.00 0.07 -0.32 0.00 0.52 0.00 0.00 54.79 55.06 1t3t n ASP 852 Cb 0.00 -0.16 -0.16 0.00 -0.72 0.00 0.00 41.12 40.08 1t3t n ASP 852 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1t3t s LYS 853 N -0.33 2.90 0.78 -0.67 1.02 -1.26 -4.59 119.74 117.58 1t3t s LYS 853 Ca 0.00 -0.82 -0.05 0.00 0.02 0.00 0.00 55.97 55.12 1t3t s LYS 853 Cb 0.00 -2.34 0.14 0.00 -0.52 0.00 0.00 37.83 35.11 1t3t s LYS 853 CO 0.00 0.31 1.07 -1.25 -0.92 0.00 0.00 175.35 174.56 1t3t s PRO 854 N 0.05 1.46 0.97 -1.68 0.04 -1.26 -1.08 135.00 133.51 1t3t s PRO 854 Ca -0.08 -0.89 -0.13 0.00 0.04 0.00 0.00 61.00 59.94 1t3t s PRO 854 Cb -0.15 -2.21 0.17 0.00 0.04 0.00 0.00 34.50 32.36 1t3t s PRO 854 CO 0.05 -1.66 1.12 0.00 0.04 0.00 0.00 177.00 176.55 1t3t s ALA 855 N -3.33 1.31 0.04 8.56 0.00 -1.26 -4.83 121.76 122.25 1t3t s ALA 855 Ca 0.68 -0.49 -0.28 0.00 0.00 0.00 0.00 51.96 51.86 1t3t s ALA 855 Cb -0.05 -3.06 0.09 0.00 0.00 0.00 0.00 23.12 20.10 1t3t s ALA 855 CO 0.46 -2.64 1.05 0.34 0.00 0.00 0.00 175.76 174.98 1t3t s ASP 856 N -3.77 -0.18 -0.30 0.00 -1.08 -1.26 -4.79 116.67 105.29 1t3t s ASP 856 Ca 0.65 -0.21 -0.29 0.00 -0.52 0.00 0.00 52.55 52.19 1t3t s ASP 856 Cb -0.16 0.35 -0.01 0.00 -1.46 0.00 0.00 42.92 41.64 1t3t s ASP 856 CO 0.55 -0.62 1.50 -0.69 0.52 0.00 0.00 175.17 176.44 1t3t s VAL 857 N -2.94 3.85 -0.03 1.11 1.01 -1.26 -4.74 120.40 117.39 1t3t s VAL 857 Ca 0.11 0.93 0.12 0.00 0.00 0.00 0.00 61.98 63.13 1t3t s VAL 857 Cb 0.00 -3.94 -0.11 0.00 0.00 0.00 0.00 36.38 32.33 1t3t s VAL 857 CO -0.02 -0.46 1.19 0.03 0.00 0.00 0.00 175.10 175.83 1t3t h ARG 858 N 10.53 0.00 -1.71 2.72 2.47 -1.94 -3.45 114.38 123.01 1t3t h ARG 858 Ca -0.30 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.31 1t3t h ARG 858 Cb 1.13 0.00 -0.28 0.00 -1.65 0.00 0.00 29.97 29.17 1t3t h ARG 858 CO 1.03 0.67 -0.45 0.34 0.56 0.00 0.00 179.97 182.12 1t3t s ASP 859 N -6.42 -0.06 0.18 7.04 -1.08 -1.26 -5.05 116.67 110.03 1t3t s ASP 859 Ca 0.01 0.28 -0.14 0.00 -0.52 0.00 0.00 52.55 52.18 1t3t s ASP 859 Cb 0.09 1.31 0.09 0.00 -1.46 0.00 0.00 42.92 42.95 1t3t s ASP 859 CO 0.80 -0.30 1.83 0.58 0.52 0.00 0.00 175.17 178.59 1t3t h VAL 860 N 6.15 1.09 -0.83 1.11 2.07 -2.00 -1.93 116.25 121.90 1t3t h VAL 860 Ca -0.19 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.15 1t3t h VAL 860 Cb 1.15 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1t3t h VAL 860 CO 0.27 0.12 0.52 0.00 0.02 0.00 0.00 177.57 178.51 1t3t h ALA 861 N 1.22 1.12 -0.07 1.67 0.00 -1.97 -1.28 119.26 119.95 1t3t h ALA 861 Ca 0.21 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1t3t h ALA 861 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1t3t h ALA 861 CO -0.07 0.31 -0.45 1.96 0.00 0.00 0.00 179.25 181.00 1t3t h GLN 862 N 0.99 0.16 -0.29 0.00 4.20 -1.79 0.40 115.11 118.78 1t3t h GLN 862 Ca 0.35 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.92 1t3t h GLN 862 Cb 0.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1t3t h GLN 862 CO -0.14 0.58 -0.04 1.25 -0.67 0.00 0.00 178.83 179.81 1t3t h LEU 863 N 0.13 0.55 -0.22 1.46 5.85 -0.78 0.37 115.31 122.67 1t3t h LEU 863 Ca 0.01 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1t3t h LEU 863 Cb 0.85 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1t3t h LEU 863 CO 0.07 0.76 0.08 0.50 -0.34 0.00 0.00 178.44 179.51 1t3t h LYS 864 N 0.32 0.33 -0.92 1.25 3.11 -1.02 -1.85 116.57 117.79 1t3t h LYS 864 Ca 0.08 -0.06 0.02 0.00 -2.81 0.00 0.00 60.65 57.87 1t3t h LYS 864 Cb 0.51 -0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 31.64 1t3t h LYS 864 CO 0.02 0.40 0.61 0.78 -2.81 0.00 0.00 179.45 178.45 1t3t h GLY 865 N 0.19 1.30 0.97 5.01 0.00 -0.01 -1.27 103.07 109.26 1t3t h GLY 865 Ca 0.07 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1t3t h GLY 865 CO -0.00 0.44 -0.15 -2.75 0.00 0.00 0.00 176.54 174.08 1t3t h PHE 866 N 1.21 -0.40 -0.36 5.60 3.57 -0.00 0.76 116.94 127.33 1t3t h PHE 866 Ca 0.35 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.89 1t3t h PHE 866 Cb -0.09 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 1t3t h PHE 866 CO -0.00 -0.25 0.06 -0.92 -2.23 0.00 0.00 178.31 174.97 1t3t h TYR 867 N -0.41 0.10 -0.57 0.41 3.20 -0.94 -0.29 116.97 118.46 1t3t h TYR 867 Ca -0.04 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1t3t h TYR 867 Cb 0.33 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 1t3t h TYR 867 CO -0.07 0.00 0.23 -0.44 -1.64 0.00 0.00 178.16 176.24 1t3t h ASP 868 N 0.18 0.75 -0.35 -2.11 3.32 -1.06 -1.03 116.42 116.11 1t3t h ASP 868 Ca 0.17 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 1t3t h ASP 868 Cb 0.20 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1t3t h ASP 868 CO -0.23 0.68 -0.16 0.00 -1.72 0.00 0.00 179.24 177.81 1t3t h ALA 869 N 1.44 0.50 -0.79 3.45 0.00 -0.26 -2.23 119.26 121.37 1t3t h ALA 869 Ca 0.19 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1t3t h ALA 869 Cb 0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1t3t h ALA 869 CO -0.02 0.41 0.34 0.52 0.00 0.00 0.00 179.25 180.50 1t3t h MET 870 N 0.52 1.16 -0.45 0.00 2.86 -0.67 -1.06 114.93 117.28 1t3t h MET 870 Ca 0.08 -0.19 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 1t3t h MET 870 Cb 0.69 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1t3t h MET 870 CO 0.05 0.92 0.08 1.96 1.06 0.00 0.00 176.91 180.98 1t3t h GLN 871 N 1.14 0.69 -0.16 1.72 1.08 -1.03 0.44 115.11 118.98 1t3t h GLN 871 Ca 0.27 -0.14 -0.04 0.00 -1.45 0.00 0.00 58.65 57.29 1t3t h GLN 871 Cb 0.17 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1t3t h GLN 871 CO -0.03 0.65 -0.04 0.00 -0.95 0.00 0.00 178.83 178.46 1t3t h ALA 872 N 1.43 0.22 -0.78 3.87 0.00 -0.76 -1.99 119.26 121.24 1t3t h ALA 872 Ca 0.15 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1t3t h ALA 872 Cb 0.29 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1t3t h ALA 872 CO 0.00 -0.02 0.29 -0.07 0.00 0.00 0.00 179.25 179.46 1t3t h LEU 873 N 0.02 1.10 -0.16 0.00 3.38 -0.84 -0.89 115.31 117.92 1t3t h LEU 873 Ca 0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1t3t h LEU 873 Cb 0.47 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1t3t h LEU 873 CO 0.02 0.99 0.02 0.58 0.09 0.00 0.00 178.44 180.14 1t3t h VAL 874 N 1.15 1.23 -0.22 1.22 2.07 -0.90 -0.73 116.25 120.06 1t3t h VAL 874 Ca 0.26 -0.73 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 1t3t h VAL 874 Cb 0.24 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1t3t h VAL 874 CO -0.02 0.22 -0.15 0.00 0.02 0.00 0.00 177.57 177.64 1t3t h ALA 875 N 0.81 1.34 -0.00 1.67 0.00 -1.26 -2.37 119.26 119.44 1t3t h ALA 875 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1t3t h ALA 875 Cb 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1t3t h ALA 875 CO 0.00 0.44 -0.09 0.00 0.00 0.00 0.00 179.25 179.61 1t3t n ALA 876 N -2.48 2.73 -3.08 0.00 0.00 -0.35 -4.93 120.51 112.39 1t3t n ALA 876 Ca -0.00 -0.26 -0.21 0.00 0.00 0.00 0.00 53.44 52.96 1t3t n ALA 876 Cb 0.31 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.46 1t3t n ALA 876 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1t3t n ARG 877 N -0.91 -5.20 -0.02 0.00 5.12 -0.70 -4.92 116.66 110.04 1t3t n ARG 877 Ca 0.16 0.84 0.13 0.00 -1.93 0.00 0.00 57.85 57.04 1t3t n ARG 877 Cb 0.26 -5.61 0.34 0.00 -1.16 0.00 0.00 32.46 26.29 1t3t n ARG 877 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1t3t n LYS 878 N -4.00 1.97 -4.52 5.56 4.76 -0.37 -4.92 118.16 116.64 1t3t n LYS 878 Ca -0.08 -1.42 -0.33 0.00 -2.87 0.00 0.00 58.31 53.61 1t3t n LYS 878 Cb 0.60 -1.47 -0.11 0.00 -1.84 0.00 0.00 35.03 32.22 1t3t n LYS 878 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1t3t s LEU 879 N -1.92 3.25 -0.21 -0.35 1.43 -1.26 -4.52 118.68 115.09 1t3t s LEU 879 Ca 0.34 -0.03 0.10 0.00 -1.03 0.00 0.00 54.13 53.50 1t3t s LEU 879 Cb 0.20 -1.77 -0.22 0.00 0.03 0.00 0.00 46.19 44.44 1t3t s LEU 879 CO 0.31 0.34 0.01 0.18 0.23 0.00 0.00 176.35 177.42 1t3t n LEU 880 N 1.97 1.44 -3.48 1.79 4.77 0.72 -5.00 117.00 119.21 1t3t n LEU 880 Ca -0.17 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.68 1t3t n LEU 880 Cb 0.53 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1t3t n LEU 880 CO 0.29 0.69 0.38 0.00 -1.33 0.00 0.00 177.39 177.42 1t3t s ALA 881 N -2.51 -1.50 -0.16 -1.18 0.00 -1.16 -4.74 121.76 110.51 1t3t s ALA 881 Ca -0.21 0.37 -0.16 0.00 0.00 0.00 0.00 51.96 51.97 1t3t s ALA 881 Cb 0.07 0.87 0.04 0.00 0.00 0.00 0.00 23.12 24.11 1t3t s ALA 881 CO 0.73 -0.78 0.44 -0.46 0.00 0.00 0.00 175.76 175.69 1t3t s TRP 882 N -3.77 -0.48 -0.20 0.00 -0.11 -0.59 -1.09 118.94 112.70 1t3t s TRP 882 Ca 0.02 1.16 -0.09 0.00 1.22 0.00 0.00 56.10 58.41 1t3t s TRP 882 Cb -0.01 0.17 0.08 0.00 -1.50 0.00 0.00 33.47 32.21 1t3t s TRP 882 CO -0.11 -0.24 0.45 -1.58 -4.62 0.00 0.00 176.95 170.85 1t3t s HIS 883 N 0.16 -0.79 0.61 5.86 2.46 -0.99 -2.87 115.29 119.73 1t3t s HIS 883 Ca -0.01 1.55 -0.08 0.00 0.47 0.00 0.00 55.06 57.00 1t3t s HIS 883 Cb -0.03 0.35 -0.00 0.00 -0.13 0.00 0.00 32.58 32.77 1t3t s HIS 883 CO 0.01 -0.45 0.95 0.16 -2.47 0.00 0.00 174.74 172.93 1t3t s ASP 884 N 2.17 5.72 -0.17 9.88 -4.77 -1.26 -1.23 116.67 127.01 1t3t s ASP 884 Ca -0.05 0.93 -0.12 0.00 -3.30 0.00 0.00 52.55 50.01 1t3t s ASP 884 Cb -0.10 -1.92 -0.05 0.00 -1.09 0.00 0.00 42.92 39.76 1t3t s ASP 884 CO -0.14 -1.05 0.21 -0.60 0.70 0.00 0.00 175.17 174.30 1t3t s ARG 885 N -5.07 4.12 0.00 2.11 3.52 -0.06 -4.80 118.95 118.77 1t3t s ARG 885 Ca 0.54 -0.04 0.00 0.00 -0.13 0.00 0.00 55.73 56.10 1t3t s ARG 885 Cb -0.11 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.90 1t3t s ARG 885 CO 0.48 0.34 0.00 -1.13 -0.81 0.00 0.00 175.30 174.18 1t3t n SER 886 N 3.30 0.41 -4.64 -2.12 3.41 -1.26 -4.48 113.62 108.24 1t3t n SER 886 Ca -0.15 0.00 -0.48 0.00 -0.26 0.00 0.00 58.87 57.99 1t3t n SER 886 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 1t3t n SER 886 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1t3t n ASP 887 N 0.00 2.40 0.00 4.04 8.00 -1.26 -1.30 116.55 128.43 1t3t n ASP 887 Ca 0.00 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.61 1t3t n ASP 887 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 39.76 1t3t n ASP 887 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t3t n GLY 888 N 2.71 1.54 7.00 0.44 0.00 -1.26 -4.83 105.19 110.79 1t3t n GLY 888 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1t3t n GLY 888 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t3t n GLY 889 N -2.00 -0.02 0.37 -0.02 0.00 -0.42 -2.90 105.19 100.19 1t3t n GLY 889 Ca 0.00 -0.98 0.10 0.00 0.00 0.00 0.00 46.02 45.14 1t3t n GLY 889 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1t3t h LEU 890 N 0.00 0.76 0.17 0.99 5.85 -1.49 -1.24 115.31 120.35 1t3t h LEU 890 Ca 0.00 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1t3t h LEU 890 Cb 0.00 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1t3t h LEU 890 CO 0.00 0.39 -0.26 0.25 -0.34 0.00 0.00 178.44 178.48 1t3t h LEU 891 N 0.81 -0.74 -0.93 2.25 5.85 -1.44 -0.37 115.31 120.73 1t3t h LEU 891 Ca 0.47 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 59.22 1t3t h LEU 891 Cb 0.63 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1t3t h LEU 891 CO -0.23 -0.36 0.24 0.58 -0.34 0.00 0.00 178.44 178.32 1t3t h VAL 892 N -0.51 1.24 0.10 1.05 2.07 -1.30 -0.46 116.25 118.45 1t3t h VAL 892 Ca 0.02 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1t3t h VAL 892 Cb 0.51 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1t3t h VAL 892 CO -0.12 0.32 -0.10 0.74 0.02 0.00 0.00 177.57 178.42 1t3t h THR 893 N 0.99 0.76 -0.64 2.57 2.02 -0.84 0.12 112.91 117.89 1t3t h THR 893 Ca 0.22 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.35 1t3t h THR 893 Cb 0.24 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 1t3t h THR 893 CO -0.01 0.00 0.20 -0.07 0.37 0.00 0.00 175.52 176.01 1t3t h LEU 894 N -0.23 0.93 -0.29 2.58 3.38 -0.89 -2.10 115.31 118.70 1t3t h LEU 894 Ca 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1t3t h LEU 894 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1t3t h LEU 894 CO -0.03 0.89 0.15 0.00 0.09 0.00 0.00 178.44 179.54 1t3t h ALA 895 N 1.08 0.37 -0.17 1.53 0.00 -0.77 -0.51 119.26 120.79 1t3t h ALA 895 Ca 0.21 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1t3t h ALA 895 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1t3t h ALA 895 CO -0.01 -0.08 -0.17 0.93 0.00 0.00 0.00 179.25 179.93 1t3t h GLU 896 N 0.34 0.28 -0.41 0.00 5.08 -0.65 0.54 114.58 119.76 1t3t h GLU 896 Ca 0.10 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 1t3t h GLU 896 Cb 0.10 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1t3t h GLU 896 CO -0.01 0.45 -0.30 0.52 -1.00 0.00 0.00 179.01 178.67 1t3t h MET 897 N 0.26 0.93 -0.75 2.33 2.86 -1.11 -1.37 114.93 118.09 1t3t h MET 897 Ca 0.05 -0.45 -0.05 0.00 -2.06 0.00 0.00 59.70 57.19 1t3t h MET 897 Cb 0.46 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 1t3t h MET 897 CO 0.03 1.11 0.28 0.00 1.06 0.00 0.00 176.91 179.38 1t3t h ALA 898 N 0.80 1.08 -0.09 6.32 0.00 -0.18 -0.76 119.26 126.44 1t3t h ALA 898 Ca 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1t3t h ALA 898 Cb 0.88 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1t3t h ALA 898 CO 0.08 0.64 0.03 0.74 0.00 0.00 0.00 179.25 180.74 1t3t h PHE 899 N 1.09 0.15 -0.72 0.00 0.04 -0.71 0.76 116.94 117.56 1t3t h PHE 899 Ca 0.25 -0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.95 1t3t h PHE 899 Cb 0.23 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 1t3t h PHE 899 CO 0.02 0.31 0.26 0.00 -0.60 0.00 0.00 178.31 178.29 1t3t h ALA 900 N 0.83 1.10 -0.00 2.45 0.00 -1.07 -2.66 119.26 119.91 1t3t h ALA 900 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1t3t h ALA 900 Cb 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1t3t h ALA 900 CO -0.00 0.63 -0.26 0.41 0.00 0.00 0.00 179.25 180.03 1t3t n GLY 901 N -0.88 -1.08 3.70 0.00 0.00 -0.31 -4.69 105.19 101.94 1t3t n GLY 901 Ca 0.06 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 1t3t n GLY 901 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1t3t n HIS 902 N -1.18 -1.91 -3.57 1.61 -0.00 0.20 -4.81 115.22 105.57 1t3t n HIS 902 Ca 0.10 0.58 -0.03 0.00 0.46 0.00 0.00 57.72 58.82 1t3t n HIS 902 Cb 0.32 -3.66 -0.00 0.00 -0.12 0.00 0.00 29.99 26.53 1t3t n HIS 902 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1t3t s GLY 904 N -1.43 2.11 -0.01 0.00 0.00 0.11 -4.72 107.32 103.38 1t3t s GLY 904 Ca 0.05 -1.77 -0.00 0.00 0.00 0.00 0.00 44.72 43.00 1t3t s GLY 904 CO 0.04 -1.73 0.02 0.14 0.00 0.00 0.00 173.10 171.56 1t3t s VAL 905 N -2.56 -0.01 -0.29 1.40 1.01 -0.02 -1.46 120.40 118.47 1t3t s VAL 905 Ca 0.48 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.49 1t3t s VAL 905 Cb -0.04 -0.04 0.09 0.00 0.00 0.00 0.00 36.38 36.39 1t3t s VAL 905 CO 0.29 0.02 0.06 -1.58 0.00 0.00 0.00 175.10 173.88 1t3t s GLN 906 N 0.19 0.98 0.07 2.72 2.00 -0.65 -0.54 119.66 124.43 1t3t s GLN 906 Ca -0.02 -1.10 0.05 0.00 -2.00 0.00 0.00 55.36 52.29 1t3t s GLN 906 Cb -0.02 -2.29 -0.03 0.00 0.80 0.00 0.00 33.01 31.46 1t3t s GLN 906 CO -0.01 -0.87 -0.14 0.14 -0.50 0.00 0.00 175.29 173.91 1t3t s VAL 907 N 1.50 1.12 -0.09 1.34 -7.23 -0.25 -1.83 120.40 114.95 1t3t s VAL 907 Ca 0.06 -1.28 0.04 0.00 -1.81 0.00 0.00 61.98 58.99 1t3t s VAL 907 Cb -0.18 -1.07 -0.01 0.00 0.56 0.00 0.00 36.38 35.69 1t3t s VAL 907 CO -0.17 -0.20 -0.22 -0.62 -0.31 0.00 0.00 175.10 173.57 1t3t s ASP 908 N -1.69 3.27 -0.18 4.85 2.15 0.78 -0.52 116.67 125.32 1t3t s ASP 908 Ca -0.02 -0.49 0.16 0.00 0.43 0.00 0.00 52.55 52.63 1t3t s ASP 908 Cb -0.10 -1.25 0.48 0.00 -0.30 0.00 0.00 42.92 41.75 1t3t s ASP 908 CO 0.02 0.19 1.37 2.30 -0.17 0.00 0.00 175.17 178.89 1t3t n ILE 909 N 3.30 2.25 0.03 4.11 -5.35 -0.05 -4.64 119.36 119.01 1t3t n ILE 909 Ca -0.18 -2.08 0.11 0.00 -0.27 0.00 0.00 62.75 60.32 1t3t n ILE 909 Cb 0.53 -0.26 0.55 0.00 -1.74 0.00 0.00 39.64 38.72 1t3t n ILE 909 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1t3t h ALA 910 N 1.34 2.04 0.00 -1.28 0.00 -1.89 -1.29 119.26 118.18 1t3t h ALA 910 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1t3t h ALA 910 Cb 1.38 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1t3t h ALA 910 CO 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1t3t n ALA 911 N -2.54 2.23 1.60 0.00 0.00 -1.26 -3.60 120.51 116.94 1t3t n ALA 911 Ca 0.05 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1t3t n ALA 911 Cb 0.28 -1.43 0.57 0.00 0.00 0.00 0.00 19.45 18.87 1t3t n ALA 911 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1t3t n LEU 912 N -1.46 0.99 0.00 0.00 4.32 -0.48 -5.02 117.00 115.35 1t3t n LEU 912 Ca 0.08 -0.37 0.00 0.00 -0.02 0.00 0.00 56.01 55.69 1t3t n LEU 912 Cb 0.29 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 1t3t n LEU 912 CO 0.24 0.19 0.00 0.61 -1.22 0.00 0.00 177.39 177.20 1t3t n GLY 913 N 1.06 3.08 0.24 -0.72 0.00 -1.24 -4.74 105.19 102.87 1t3t n GLY 913 Ca 0.18 -1.97 0.13 0.00 0.00 0.00 0.00 46.02 44.36 1t3t n GLY 913 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1t3t h ASP 914 N 0.00 0.00 -2.26 1.61 3.32 -1.93 -3.39 116.42 113.77 1t3t h ASP 914 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 1t3t h ASP 914 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 1t3t h ASP 914 CO 0.00 0.10 0.87 -0.62 -1.72 0.00 0.00 179.24 177.87 1t3t s ASP 915 N -6.02 6.46 0.29 6.45 -1.08 -1.26 -4.87 116.67 116.64 1t3t s ASP 915 Ca 0.03 -1.59 0.03 0.00 -0.52 0.00 0.00 52.55 50.49 1t3t s ASP 915 Cb 0.08 -2.44 0.45 0.00 -1.46 0.00 0.00 42.92 39.55 1t3t s ASP 915 CO 0.62 -1.27 1.75 0.45 0.52 0.00 0.00 175.17 177.24 1t3t h HIS 916 N 9.24 0.55 -0.32 -5.34 3.86 -1.94 -1.76 115.15 119.44 1t3t h HIS 916 Ca 0.02 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1t3t h HIS 916 Cb 1.04 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 1t3t h HIS 916 CO 1.13 0.66 0.15 1.25 0.86 0.00 0.00 177.93 181.98 1t3t h LEU 917 N 0.45 0.41 -0.84 2.43 5.85 -1.97 -1.46 115.31 120.18 1t3t h LEU 917 Ca 0.07 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 1t3t h LEU 917 Cb 0.59 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1t3t h LEU 917 CO 0.04 0.42 -0.20 0.00 -0.34 0.00 0.00 178.44 178.37 1t3t h ALA 918 N 1.01 1.02 -0.51 1.25 0.00 -1.84 -0.89 119.26 119.31 1t3t h ALA 918 Ca 0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1t3t h ALA 918 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1t3t h ALA 918 CO -0.01 0.59 0.16 0.00 0.00 0.00 0.00 179.25 179.98 1t3t h ALA 919 N 1.21 0.66 0.11 0.00 0.00 -1.10 -1.71 119.26 118.43 1t3t h ALA 919 Ca 0.09 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 54.55 1t3t h ALA 919 Cb 0.65 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1t3t h ALA 919 CO 0.05 0.32 -1.19 -0.07 0.00 0.00 0.00 179.25 178.36 1t3t h LEU 920 N 0.69 0.45 -1.40 0.00 3.38 -1.16 -3.39 115.31 113.87 1t3t h LEU 920 Ca 0.16 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1t3t h LEU 920 Cb 0.27 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1t3t h LEU 920 CO -0.01 1.33 -0.11 0.49 0.09 0.00 0.00 178.44 180.24 1t3t n PHE 921 N -3.58 0.00 -2.05 1.13 3.72 -0.35 -1.75 117.46 114.58 1t3t n PHE 921 Ca -0.08 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.96 1t3t n PHE 921 Cb 0.99 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.55 1t3t n PHE 921 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1t3t s ASN 922 N -1.55 5.36 -0.40 4.37 4.22 -0.64 -4.27 114.94 122.03 1t3t s ASN 922 Ca 0.17 2.39 0.05 0.00 -2.14 0.00 0.00 52.86 53.33 1t3t s ASN 922 Cb 0.14 -2.60 0.47 0.00 1.28 0.00 0.00 41.25 40.54 1t3t s ASN 922 CO 0.27 -1.48 1.51 -0.62 -2.04 0.00 0.00 177.10 174.74 1t3t n GLU 923 N -1.40 2.83 -1.17 3.55 1.02 -1.25 -4.08 120.64 120.14 1t3t n GLU 923 Ca 0.13 -3.64 -0.31 0.00 -0.02 0.00 0.00 57.16 53.32 1t3t n GLU 923 Cb 0.49 -2.15 0.11 0.00 -0.02 0.00 0.00 31.44 29.88 1t3t n GLU 923 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1t3t s GLU 924 N -3.56 1.85 0.68 3.49 0.41 -1.26 -4.79 118.70 115.52 1t3t s GLU 924 Ca 0.53 1.14 -0.15 0.00 -0.41 0.00 0.00 54.97 56.08 1t3t s GLU 924 Cb 0.44 -1.85 0.01 0.00 -1.78 0.00 0.00 34.13 30.95 1t3t s GLU 924 CO 0.01 -1.92 1.14 -0.51 -0.49 0.00 0.00 175.26 173.49 1t3t s LEU 925 N -6.09 3.36 0.00 1.80 1.43 -1.26 -4.71 118.68 113.21 1t3t s LEU 925 Ca 0.62 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 1t3t s LEU 925 Cb -0.18 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.48 1t3t s LEU 925 CO 0.57 -1.83 0.00 0.61 0.23 0.00 0.00 176.35 175.93 1t3t n GLY 926 N -0.25 0.70 0.00 -3.19 0.00 -1.26 -1.39 105.19 99.80 1t3t n GLY 926 Ca 0.11 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1t3t n GLY 926 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t3t n GLY 927 N 0.00 -1.23 3.14 -0.02 0.00 -0.73 -0.88 105.19 105.47 1t3t n GLY 927 Ca 0.00 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 1t3t n GLY 927 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t3t s VAL 928 N -3.00 1.90 0.00 1.61 1.01 -0.36 -0.40 120.40 121.15 1t3t s VAL 928 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1t3t s VAL 928 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1t3t s VAL 928 CO 0.00 0.52 0.07 0.27 0.00 0.00 0.00 175.10 175.96 1t3t s ILE 929 N 0.83 4.62 -0.13 2.22 -4.36 -0.36 -2.33 121.20 121.69 1t3t s ILE 929 Ca -0.08 -0.47 -0.01 0.00 -0.26 0.00 0.00 60.65 59.84 1t3t s ILE 929 Cb -0.15 -3.11 -0.02 0.00 1.25 0.00 0.00 42.46 40.43 1t3t s ILE 929 CO -0.01 0.34 -0.12 -1.58 0.24 0.00 0.00 174.94 173.81 1t3t s GLN 930 N -1.75 3.38 0.18 0.37 0.74 -0.25 -1.00 119.66 121.33 1t3t s GLN 930 Ca 0.23 -0.66 0.04 0.00 0.05 0.00 0.00 55.36 55.02 1t3t s GLN 930 Cb -0.12 -2.66 -0.05 0.00 1.10 0.00 0.00 33.01 31.28 1t3t s GLN 930 CO 0.14 0.25 -0.08 0.14 -0.55 0.00 0.00 175.29 175.19 1t3t s VAL 931 N 0.28 1.18 0.39 1.34 -7.23 -0.34 -0.20 120.40 115.81 1t3t s VAL 931 Ca -0.09 -2.07 -0.27 0.00 -1.81 0.00 0.00 61.98 57.75 1t3t s VAL 931 Cb -0.15 -2.01 -0.10 0.00 0.56 0.00 0.00 36.38 34.68 1t3t s VAL 931 CO 0.05 -0.61 1.35 -0.13 -0.31 0.00 0.00 175.10 175.45 1t3t s ARG 932 N -3.77 4.07 0.28 4.82 0.52 -1.26 -0.37 118.95 123.23 1t3t s ARG 932 Ca 0.21 2.28 0.01 0.00 -0.52 0.00 0.00 55.73 57.72 1t3t s ARG 932 Cb 0.03 -2.87 0.60 0.00 0.52 0.00 0.00 34.95 33.23 1t3t s ARG 932 CO 0.03 -0.46 1.78 0.00 0.02 0.00 0.00 175.30 176.68 1t3t h ALA 933 N 2.89 1.45 0.00 2.13 0.00 -1.50 0.26 119.26 124.48 1t3t h ALA 933 Ca -0.50 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1t3t h ALA 933 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1t3t h ALA 933 CO 0.63 -0.01 0.00 -0.85 0.00 0.00 0.00 179.25 179.03 1t3t n GLU 934 N -4.78 0.09 0.00 0.00 0.28 -1.26 -2.43 120.64 112.54 1t3t n GLU 934 Ca 0.19 0.41 0.09 0.00 -0.16 0.00 0.00 57.16 57.70 1t3t n GLU 934 Cb 0.46 -1.71 0.00 0.00 1.43 0.00 0.00 31.44 31.62 1t3t n GLU 934 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1t3t n ASP 935 N -1.90 1.86 -0.11 -1.84 8.00 0.07 -4.68 116.55 117.95 1t3t n ASP 935 Ca 0.02 -1.43 -0.05 0.00 0.71 0.00 0.00 54.79 54.03 1t3t n ASP 935 Cb 0.15 0.43 0.01 0.00 -0.02 0.00 0.00 41.12 41.69 1t3t n ASP 935 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1t3t h ARG 936 N 2.21 -0.01 -0.45 -1.24 2.43 -1.37 -0.23 114.38 115.72 1t3t h ARG 936 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1t3t h ARG 936 Cb 0.65 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 1t3t h ARG 936 CO 0.00 -0.00 0.28 -0.44 -1.51 0.00 0.00 179.97 178.30 1t3t h ASP 937 N -0.01 0.48 -0.57 -3.80 3.32 -1.83 -0.02 116.42 113.99 1t3t h ASP 937 Ca 0.18 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 1t3t h ASP 937 Cb 0.29 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1t3t h ASP 937 CO -0.40 0.34 -0.06 0.00 -1.72 0.00 0.00 179.24 177.41 1t3t h ALA 938 N 1.18 0.77 -0.36 3.45 0.00 -1.79 -1.24 119.26 121.28 1t3t h ALA 938 Ca 0.17 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1t3t h ALA 938 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1t3t h ALA 938 CO -0.06 0.65 0.00 0.28 0.00 0.00 0.00 179.25 180.13 1t3t h VAL 939 N 0.93 1.26 -0.46 0.00 2.07 -0.85 -0.91 116.25 118.29 1t3t h VAL 939 Ca 0.15 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1t3t h VAL 939 Cb 0.62 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1t3t h VAL 939 CO 0.04 0.32 0.20 -0.33 0.02 0.00 0.00 177.57 177.82 1t3t h GLU 940 N 0.44 0.65 -0.43 1.57 5.08 -0.87 -1.08 114.58 119.93 1t3t h GLU 940 Ca 0.10 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1t3t h GLU 940 Cb 0.46 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1t3t h GLU 940 CO 0.02 0.52 -0.21 0.00 -1.00 0.00 0.00 179.01 178.34 1t3t h ALA 941 N 1.57 0.61 -0.21 3.43 0.00 -0.90 -2.35 119.26 121.41 1t3t h ALA 941 Ca 0.16 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1t3t h ALA 941 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1t3t h ALA 941 CO -0.02 0.58 0.10 1.25 0.00 0.00 0.00 179.25 181.16 1t3t h LEU 942 N 0.74 0.29 -1.20 0.00 6.46 -0.53 -2.18 115.31 118.89 1t3t h LEU 942 Ca 0.10 -0.14 0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1t3t h LEU 942 Cb 0.78 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.59 1t3t h LEU 942 CO 0.06 0.35 0.55 -0.07 -0.62 0.00 0.00 178.44 178.71 1t3t h LEU 943 N 0.21 0.92 -1.34 2.25 3.38 -1.19 -1.59 115.31 117.95 1t3t h LEU 943 Ca 0.07 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1t3t h LEU 943 Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1t3t h LEU 943 CO -0.01 0.65 -0.23 0.00 0.09 0.00 0.00 178.44 178.94 1t3t h ALA 944 N 1.50 1.45 0.00 1.53 0.00 -1.12 -1.83 119.26 120.79 1t3t h ALA 944 Ca 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1t3t h ALA 944 Cb -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1t3t h ALA 944 CO -0.08 0.39 0.00 1.96 0.00 0.00 0.00 179.25 181.52 1t3t h GLN 945 N 0.13 0.00 -0.58 0.00 4.20 -0.65 -0.99 115.11 117.23 1t3t h GLN 945 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1t3t h GLN 945 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1t3t h GLN 945 CO 0.03 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.85 1t3t n TYR 946 N -2.81 1.19 -1.22 2.96 4.01 -0.74 -4.96 117.16 115.60 1t3t n TYR 946 Ca 0.00 -0.60 -0.06 0.00 -0.16 0.00 0.00 57.90 57.08 1t3t n TYR 946 Cb 0.22 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 1t3t n TYR 946 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1t3t n GLY 947 N 0.95 0.84 0.97 2.72 0.00 -0.37 -4.73 105.19 105.57 1t3t n GLY 947 Ca 0.23 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.60 1t3t n GLY 947 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t3t n LEU 948 N -0.73 2.91 -0.37 0.99 4.77 -0.88 -4.69 117.00 119.01 1t3t n LEU 948 Ca -0.06 -1.20 -0.00 0.00 -0.03 0.00 0.00 56.01 54.71 1t3t n LEU 948 Cb 0.22 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.19 1t3t n LEU 948 CO 0.10 0.60 0.60 0.00 -1.33 0.00 0.00 177.39 177.35 1t3t h ALA 949 N 4.43 0.20 0.00 -1.18 0.00 -1.81 0.17 119.26 121.08 1t3t h ALA 949 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1t3t h ALA 949 Cb 0.85 0.97 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1t3t h ALA 949 CO 0.00 -0.60 0.00 -0.25 0.00 0.00 0.00 179.25 178.40 1t3t n ASP 950 N -5.49 0.63 0.02 0.00 8.00 -1.26 -2.85 116.55 115.60 1t3t n ASP 950 Ca 0.10 0.64 0.11 0.00 0.71 0.00 0.00 54.79 56.35 1t3t n ASP 950 Cb 0.41 -0.78 0.01 0.00 -0.02 0.00 0.00 41.12 40.74 1t3t n ASP 950 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t3t s VAL 952 N -3.15 5.23 -0.04 0.00 1.01 -0.88 -0.50 120.40 122.07 1t3t s VAL 952 Ca 0.05 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1t3t s VAL 952 Cb 0.15 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.83 1t3t s VAL 952 CO 0.81 0.33 -0.02 -1.00 0.00 0.00 0.00 175.10 175.22 1t3t s HIS 953 N 0.73 0.59 -0.09 5.22 0.09 -0.25 -4.97 115.29 116.61 1t3t s HIS 953 Ca 0.21 -0.13 -0.30 0.00 -0.00 0.00 0.00 55.06 54.84 1t3t s HIS 953 Cb -0.14 -0.60 -0.02 0.00 -0.00 0.00 0.00 32.58 31.81 1t3t s HIS 953 CO 0.07 -0.19 1.20 -0.47 -0.00 0.00 0.00 174.74 175.35 1t3t s TYR 954 N 1.12 3.13 -0.24 1.40 5.04 -1.26 -0.20 117.35 126.33 1t3t s TYR 954 Ca -0.08 1.20 -0.03 0.00 -2.44 0.00 0.00 57.07 55.72 1t3t s TYR 954 Cb -0.14 -3.42 -0.17 0.00 0.35 0.00 0.00 41.96 38.58 1t3t s TYR 954 CO -0.01 -1.30 -0.16 1.28 -1.34 0.00 0.00 175.55 174.01 1t3t n LEU 955 N 5.58 2.72 0.00 6.97 4.77 0.05 -4.86 117.00 132.23 1t3t n LEU 955 Ca 0.12 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1t3t n LEU 955 Cb 0.46 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1t3t n LEU 955 CO 0.55 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 178.06 1t3t n GLY 956 N 2.02 -0.52 3.30 -0.72 0.00 -1.22 -0.15 105.19 107.90 1t3t n GLY 956 Ca -0.45 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 1t3t n GLY 956 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1t3t s GLN 957 N -0.43 1.04 0.03 1.61 -2.07 -0.76 -0.88 119.66 118.20 1t3t s GLN 957 Ca 0.00 -0.79 -0.20 0.00 -1.82 0.00 0.00 55.36 52.55 1t3t s GLN 957 Cb 0.00 0.44 -0.06 0.00 -1.09 0.00 0.00 33.01 32.30 1t3t s GLN 957 CO 0.00 -0.39 0.58 0.00 -1.32 0.00 0.00 175.29 174.16 1t3t s ALA 958 N -3.83 3.54 0.04 2.60 0.00 -1.26 -1.63 121.76 121.23 1t3t s ALA 958 Ca 0.04 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.07 1t3t s ALA 958 Cb 0.02 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.43 1t3t s ALA 958 CO -0.11 0.28 -0.10 -0.51 0.00 0.00 0.00 175.76 175.32 1t3t s LEU 959 N -0.66 2.22 0.48 0.00 1.43 -0.53 -4.81 118.68 116.81 1t3t s LEU 959 Ca 0.30 -0.51 -0.24 0.00 -1.03 0.00 0.00 54.13 52.65 1t3t s LEU 959 Cb -0.19 -0.34 -0.07 0.00 0.03 0.00 0.00 46.19 45.62 1t3t s LEU 959 CO 0.18 -0.10 1.39 0.00 0.23 0.00 0.00 176.35 178.05 1t3t s ALA 960 N -1.14 3.11 0.00 4.21 0.00 -1.26 0.08 121.76 126.76 1t3t s ALA 960 Ca -0.05 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1t3t s ALA 960 Cb -0.09 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1t3t s ALA 960 CO 0.01 -1.22 0.00 0.41 0.00 0.00 0.00 175.76 174.96 1t3t n GLY 961 N 0.63 0.63 0.19 0.00 0.00 -1.26 -4.59 105.19 100.78 1t3t n GLY 961 Ca 0.07 -2.12 0.07 0.00 0.00 0.00 0.00 46.02 44.04 1t3t n GLY 961 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t3t n ASP 962 N 1.02 1.61 -4.61 1.61 2.03 -1.26 -2.53 116.55 114.43 1t3t n ASP 962 Ca 0.00 -2.69 -0.36 0.00 0.52 0.00 0.00 54.79 52.26 1t3t n ASP 962 Cb 0.00 -0.34 -0.10 0.00 -0.72 0.00 0.00 41.12 39.96 1t3t n ASP 962 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1t3t s ARG 963 N -1.92 3.96 -0.43 -0.67 1.81 -1.26 0.04 118.95 120.49 1t3t s ARG 963 Ca 0.21 -0.33 -0.07 0.00 -1.72 0.00 0.00 55.73 53.82 1t3t s ARG 963 Cb 0.18 -3.40 0.10 0.00 -0.45 0.00 0.00 34.95 31.39 1t3t s ARG 963 CO 0.02 0.08 0.26 0.12 -0.68 0.00 0.00 175.30 175.10 1t3t s PHE 964 N 0.95 3.45 -0.09 -0.53 5.36 -0.38 -0.84 117.98 125.90 1t3t s PHE 964 Ca 0.06 -1.98 0.04 0.00 -0.96 0.00 0.00 56.93 54.09 1t3t s PHE 964 Cb -0.13 -3.19 0.00 0.00 -0.34 0.00 0.00 43.02 39.35 1t3t s PHE 964 CO 0.03 -0.94 -0.21 0.08 -1.46 0.00 0.00 175.22 172.72 1t3t s VAL 965 N 1.29 1.84 -0.15 3.12 1.01 0.30 -1.81 120.40 126.00 1t3t s VAL 965 Ca 0.05 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1t3t s VAL 965 Cb -0.24 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.56 1t3t s VAL 965 CO -0.01 0.51 -0.18 -0.63 0.00 0.00 0.00 175.10 174.79 1t3t s ILE 966 N 0.37 1.84 0.44 2.22 1.01 0.68 -1.09 121.20 126.66 1t3t s ILE 966 Ca -0.17 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 59.72 1t3t s ILE 966 Cb -0.17 -1.67 -0.06 0.00 0.01 0.00 0.00 42.46 40.57 1t3t s ILE 966 CO 0.07 0.50 0.01 0.42 0.00 0.00 0.00 174.94 175.95 1t3t s THR 967 N 1.24 1.68 -0.26 2.92 -4.23 0.32 -0.27 115.64 117.04 1t3t s THR 967 Ca 0.02 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1t3t s THR 967 Cb -0.14 -2.70 0.14 0.00 1.34 0.00 0.00 72.50 71.15 1t3t s THR 967 CO -0.09 0.00 0.38 0.00 -0.54 0.00 0.00 174.62 174.37 1t3t s ALA 968 N -2.78 -1.06 0.00 3.99 0.00 0.29 -0.87 121.76 121.33 1t3t s ALA 968 Ca 0.25 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1t3t s ALA 968 Cb 0.07 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1t3t s ALA 968 CO 0.13 -1.47 0.00 0.27 0.00 0.00 0.00 175.76 174.69 1t3t n ASN 969 N 5.35 0.00 -1.04 0.00 0.23 -1.26 -0.71 115.26 117.84 1t3t n ASN 969 Ca -0.02 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.14 1t3t n ASN 969 Cb 0.49 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.36 1t3t n ASN 969 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1t3t n ASP 970 N 9.38 3.22 -4.79 0.53 9.92 -1.26 -4.94 116.55 128.60 1t3t n ASP 970 Ca 0.00 -1.96 -0.36 0.00 -0.53 0.00 0.00 54.79 51.94 1t3t n ASP 970 Cb 0.00 -0.16 -0.07 0.00 -0.64 0.00 0.00 41.12 40.25 1t3t n ASP 970 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1t3t s GLN 971 N -1.57 3.93 -0.38 -1.24 0.74 0.11 -5.06 119.66 116.19 1t3t s GLN 971 Ca 0.33 -0.00 -0.23 0.00 0.05 0.00 0.00 55.36 55.51 1t3t s GLN 971 Cb 0.21 -3.32 0.01 0.00 1.10 0.00 0.00 33.01 31.01 1t3t s GLN 971 CO 0.29 0.49 0.77 0.99 -0.55 0.00 0.00 175.29 177.29 1t3t s THR 972 N -0.26 4.72 -0.03 -0.34 2.01 -1.26 -0.55 115.64 119.93 1t3t s THR 972 Ca 0.15 0.75 -0.21 0.00 0.31 0.00 0.00 61.69 62.69 1t3t s THR 972 Cb -0.13 -4.23 -0.28 0.00 0.01 0.00 0.00 72.50 67.88 1t3t s THR 972 CO 0.04 -0.50 0.98 0.58 -0.69 0.00 0.00 174.62 175.03 1t3t h VAL 973 N 5.80 1.49 -2.06 3.82 2.07 -0.93 -3.48 116.25 122.97 1t3t h VAL 973 Ca -0.25 -2.33 -0.04 0.00 0.82 0.00 0.00 66.70 64.89 1t3t h VAL 973 Cb 1.09 2.96 -0.21 0.00 -1.52 0.00 0.00 31.29 33.61 1t3t h VAL 973 CO 0.92 0.67 0.10 0.12 0.02 0.00 0.00 177.57 179.39 1t3t s PHE 974 N -2.75 -0.77 -0.15 1.57 5.36 -0.78 -4.85 117.98 115.59 1t3t s PHE 974 Ca -0.14 1.87 -0.09 0.00 -0.96 0.00 0.00 56.93 57.61 1t3t s PHE 974 Cb 0.02 0.27 0.05 0.00 -0.34 0.00 0.00 43.02 43.02 1t3t s PHE 974 CO 0.82 -0.37 0.38 0.45 -1.46 0.00 0.00 175.22 175.04 1t3t s SER 975 N 0.41 -0.46 0.23 6.13 0.15 -1.26 -0.23 113.70 118.67 1t3t s SER 975 Ca -0.00 0.81 -0.22 0.00 0.70 0.00 0.00 55.95 57.24 1t3t s SER 975 Cb -0.05 0.71 0.04 0.00 -1.71 0.00 0.00 66.02 65.01 1t3t s SER 975 CO 0.00 -0.18 0.68 -1.61 1.20 0.00 0.00 173.24 173.34 1t3t s GLU 976 N 1.18 1.58 0.11 5.44 0.41 -0.75 -5.02 118.70 121.64 1t3t s GLU 976 Ca -0.08 -0.78 -0.31 0.00 -0.41 0.00 0.00 54.97 53.39 1t3t s GLU 976 Cb -0.08 0.59 -0.07 0.00 -1.78 0.00 0.00 34.13 32.79 1t3t s GLU 976 CO -0.10 -0.71 1.33 0.45 -0.49 0.00 0.00 175.26 175.74 1t3t s SER 977 N -2.85 6.89 0.28 -0.19 0.15 -1.26 -1.25 113.70 115.47 1t3t s SER 977 Ca 0.07 2.26 -0.03 0.00 0.70 0.00 0.00 55.95 58.95 1t3t s SER 977 Cb -0.04 -2.59 0.37 0.00 -1.71 0.00 0.00 66.02 62.06 1t3t s SER 977 CO -0.01 -0.60 1.89 -0.09 1.20 0.00 0.00 173.24 175.64 1t3t h ARG 978 N 6.67 1.04 -0.76 5.44 1.12 -0.71 -2.04 114.38 125.13 1t3t h ARG 978 Ca -0.42 -0.13 -0.06 0.00 -1.11 0.00 0.00 59.98 58.27 1t3t h ARG 978 Cb 1.21 -0.20 -0.03 0.00 -0.01 0.00 0.00 29.97 30.94 1t3t h ARG 978 CO 0.84 0.78 0.26 1.15 -3.11 0.00 0.00 179.97 179.89 1t3t h THR 979 N 1.04 1.26 -0.69 0.20 2.02 -1.91 0.02 112.91 114.86 1t3t h THR 979 Ca 0.26 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 1t3t h THR 979 Cb 0.06 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 1t3t h THR 979 CO -0.04 0.35 0.42 0.74 0.37 0.00 0.00 175.52 177.36 1t3t h THR 980 N 1.13 1.19 -0.42 3.16 2.02 -1.77 -1.07 112.91 117.16 1t3t h THR 980 Ca 0.25 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.92 1t3t h THR 980 Cb 0.28 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1t3t h THR 980 CO -0.01 0.20 -0.09 -0.07 0.37 0.00 0.00 175.52 175.92 1t3t h LEU 981 N 0.93 0.79 -0.72 2.58 3.38 -0.98 -2.49 115.31 118.81 1t3t h LEU 981 Ca 0.25 -0.36 0.09 0.00 0.09 0.00 0.00 57.88 57.95 1t3t h LEU 981 Cb -0.04 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.43 1t3t h LEU 981 CO -0.05 0.97 0.37 -0.09 0.09 0.00 0.00 178.44 179.73 1t3t h ARG 982 N 0.61 0.63 -0.29 1.13 9.65 -0.61 -0.63 114.38 124.87 1t3t h ARG 982 Ca 0.11 -0.04 -0.18 0.00 -1.10 0.00 0.00 59.98 58.77 1t3t h ARG 982 Cb 0.61 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 1t3t h ARG 982 CO 0.04 0.41 -0.50 0.28 2.80 0.00 0.00 179.97 183.00 1t3t h VAL 983 N 0.64 1.28 -0.46 0.20 2.07 -1.11 -2.41 116.25 116.46 1t3t h VAL 983 Ca 0.35 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.17 1t3t h VAL 983 Cb 0.33 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1t3t h VAL 983 CO -0.25 0.55 0.27 -0.50 0.02 0.00 0.00 177.57 177.66 1t3t h TRP 984 N 0.63 0.61 0.00 1.57 6.55 -1.06 -1.29 115.95 122.96 1t3t h TRP 984 Ca 0.02 -0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.85 1t3t h TRP 984 Cb 1.11 -0.20 -0.00 0.00 -0.86 0.00 0.00 29.16 29.21 1t3t h TRP 984 CO 0.07 0.43 -0.03 2.35 -1.05 0.00 0.00 178.44 180.21 1t3t h TRP 985 N 0.61 0.00 0.00 0.49 7.01 -1.09 -2.34 115.95 120.64 1t3t h TRP 985 Ca 0.16 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.16 1t3t h TRP 985 Cb 0.01 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.07 1t3t h TRP 985 CO -0.03 0.03 -0.65 0.00 -2.79 0.00 0.00 178.44 175.00 1t3t n ALA 986 N -2.24 3.80 0.12 2.65 0.00 -0.54 -1.08 120.51 123.22 1t3t n ALA 986 Ca -0.02 -0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.06 1t3t n ALA 986 Cb 0.14 -1.03 0.50 0.00 0.00 0.00 0.00 19.45 19.05 1t3t n ALA 986 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1t3t h GLU 987 N 0.00 0.29 -0.10 0.00 5.08 -0.82 -1.75 114.58 117.27 1t3t h GLU 987 Ca 0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1t3t h GLU 987 Cb 0.52 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1t3t h GLU 987 CO 0.00 0.23 -0.02 1.15 -1.00 0.00 0.00 179.01 179.37 1t3t h THR 988 N 0.30 1.28 -0.06 1.13 2.02 -1.78 -0.83 112.91 114.96 1t3t h THR 988 Ca 0.08 -0.91 -0.09 0.00 0.77 0.00 0.00 66.41 66.26 1t3t h THR 988 Cb 0.03 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1t3t h THR 988 CO -0.01 0.26 -0.37 0.00 0.37 0.00 0.00 175.52 175.76 1t3t h THR 989 N -0.12 1.28 0.15 3.16 1.03 -1.66 -0.47 112.91 116.28 1t3t h THR 989 Ca 0.03 -1.37 -0.01 0.00 -0.01 0.00 0.00 66.41 65.05 1t3t h THR 989 Cb 0.41 1.66 0.00 0.00 -1.07 0.00 0.00 68.15 69.15 1t3t h THR 989 CO 0.01 0.40 -0.07 -0.25 -0.01 0.00 0.00 175.52 175.60 1t3t h TRP 990 N 0.11 -0.19 -0.44 0.00 7.01 -1.14 0.12 115.95 121.42 1t3t h TRP 990 Ca 0.01 -0.00 -0.06 0.00 2.11 0.00 0.00 58.89 60.95 1t3t h TRP 990 Cb 0.71 0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.81 1t3t h TRP 990 CO 0.01 -0.04 0.04 1.96 -2.79 0.00 0.00 178.44 177.61 1t3t h GLN 991 N -0.29 0.70 -0.27 2.65 1.08 -0.89 0.12 115.11 118.22 1t3t h GLN 991 Ca -0.02 -0.16 -0.09 0.00 -1.45 0.00 0.00 58.65 56.93 1t3t h GLN 991 Cb 0.22 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 1t3t h GLN 991 CO 0.03 0.68 -0.18 0.52 -0.95 0.00 0.00 178.83 178.93 1t3t h MET 992 N 0.66 0.60 -0.62 1.46 2.86 -0.89 -2.84 114.93 116.16 1t3t h MET 992 Ca 0.14 -0.28 -0.08 0.00 -2.06 0.00 0.00 59.70 57.41 1t3t h MET 992 Cb 0.35 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1t3t h MET 992 CO 0.01 0.87 0.06 1.96 1.06 0.00 0.00 176.91 180.86 1t3t h GLN 993 N 0.32 1.05 -0.39 1.72 4.20 -0.44 -2.04 115.11 119.53 1t3t h GLN 993 Ca 0.05 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.46 1t3t h GLN 993 Cb 0.72 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1t3t h GLN 993 CO 0.05 0.99 0.23 0.00 -0.67 0.00 0.00 178.83 179.43 1t3t h ARG 994 N 0.97 0.53 0.00 1.46 3.08 -0.73 0.27 114.38 119.95 1t3t h ARG 994 Ca 0.18 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 1t3t h ARG 994 Cb 0.48 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1t3t h ARG 994 CO 0.02 0.37 -1.34 1.47 -1.07 0.00 0.00 179.97 179.43 1t3t n LEU 995 N -4.45 0.73 -0.07 3.04 -0.00 -1.08 -4.24 117.00 110.93 1t3t n LEU 995 Ca 0.03 0.30 -0.15 0.00 -0.00 0.00 0.00 56.01 56.19 1t3t n LEU 995 Cb 0.08 0.02 -0.14 0.00 -0.00 0.00 0.00 43.42 43.39 1t3t n LEU 995 CO 0.36 -0.00 -1.03 -1.14 -0.00 0.00 0.00 177.39 175.57 1t3t n ARG 996 N -2.72 0.68 -1.05 1.47 0.63 -0.78 -5.03 116.66 109.86 1t3t n ARG 996 Ca -0.06 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1t3t n ARG 996 Cb 0.70 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 32.00 1t3t n ARG 996 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1t3t n ASP 997 N -3.13 1.41 -4.62 6.15 8.00 0.92 -5.04 116.55 120.23 1t3t n ASP 997 Ca -0.34 -0.61 -0.43 0.00 0.71 0.00 0.00 54.79 54.12 1t3t n ASP 997 Cb 1.06 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 42.14 1t3t n ASP 997 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1t3t s ASN 998 N -0.46 6.38 0.35 -2.24 3.84 -0.64 -4.75 114.94 117.43 1t3t s ASN 998 Ca 0.00 1.32 0.12 0.00 0.21 0.00 0.00 52.86 54.51 1t3t s ASN 998 Cb 0.00 -2.53 0.93 0.00 -0.55 0.00 0.00 41.25 39.09 1t3t s ASN 998 CO 0.00 -1.31 1.78 -0.65 -2.79 0.00 0.00 177.10 174.13 1t3t h PRO 999 N 10.65 0.55 -0.53 0.43 0.11 -1.83 -0.83 132.00 140.54 1t3t h PRO 999 Ca -0.31 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.79 1t3t h PRO 999 Cb 1.13 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1t3t h PRO 999 CO 1.03 0.36 0.33 0.37 -0.21 0.00 0.00 178.00 179.89 1t3t h GLN 1000N 0.57 0.65 -0.34 1.05 4.15 -1.94 -0.30 115.11 118.96 1t3t h GLN 1000Ca 0.58 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.87 1t3t h GLN 1000Cb 1.18 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 1t3t h GLN 1000CO -0.34 0.43 -0.15 0.00 -1.93 0.00 0.00 178.83 176.84 1t3t h ALA 1002N 0.78 1.03 -0.50 0.00 0.00 -1.11 -1.52 119.26 117.95 1t3t h ALA 1002Ca 0.08 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1t3t h ALA 1002Cb 0.68 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1t3t h ALA 1002CO 0.05 0.36 0.01 -0.44 0.00 0.00 0.00 179.25 179.22 1t3t h ASP 1003N 1.02 0.85 -0.72 0.00 3.32 -0.98 -1.94 116.42 117.97 1t3t h ASP 1003Ca 0.31 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1t3t h ASP 1003Cb -0.03 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 1t3t h ASP 1003CO -0.10 0.94 0.42 1.56 -1.72 0.00 0.00 179.24 180.34 1t3t h GLN 1004N 0.73 0.99 -0.43 3.56 4.20 -0.84 0.05 115.11 123.38 1t3t h GLN 1004Ca 0.14 -0.10 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 1t3t h GLN 1004Cb 0.50 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1t3t h GLN 1004CO 0.02 0.72 -0.11 1.49 -0.67 0.00 0.00 178.83 180.29 1t3t h GLU 1005N 0.99 0.83 -0.26 1.46 4.81 -1.17 -2.31 114.58 118.93 1t3t h GLU 1005Ca 0.26 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1t3t h GLU 1005Cb -0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1t3t h GLU 1005CO -0.04 0.95 -0.01 1.25 -0.73 0.00 0.00 179.01 180.42 1t3t h HIS 1006N 0.66 0.51 -0.38 0.92 2.76 -1.13 -3.10 115.15 115.40 1t3t h HIS 1006Ca 0.11 -0.09 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 1t3t h HIS 1006Cb 0.64 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 1t3t h HIS 1006CO 0.05 0.64 0.09 0.93 -1.30 0.00 0.00 177.93 178.34 1t3t h GLU 1007N 0.24 0.55 -0.09 5.26 5.08 -0.95 -2.24 114.58 122.42 1t3t h GLU 1007Ca 0.07 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1t3t h GLU 1007Cb 0.45 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1t3t h GLU 1007CO 0.02 0.50 0.04 0.00 -1.00 0.00 0.00 179.01 178.57 1t3t h ALA 1008N 1.57 1.90 0.00 3.43 0.00 -1.34 -1.98 119.26 122.84 1t3t h ALA 1008Ca 0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1t3t h ALA 1008Cb 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1t3t h ALA 1008CO -0.00 0.08 -0.18 0.87 0.00 0.00 0.00 179.25 180.02 1t3t h LYS 1009N 0.12 0.00 -0.00 0.00 1.57 -1.40 -2.71 116.57 114.15 1t3t h LYS 1009Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1t3t h LYS 1009Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1t3t h LYS 1009CO -0.00 0.18 -0.01 0.00 -0.57 0.00 0.00 179.45 179.05 1t3t n ALA 1010N -2.28 2.48 -3.09 3.86 0.00 -0.74 -4.63 120.51 116.11 1t3t n ALA 1010Ca -0.01 -0.14 -0.45 0.00 0.00 0.00 0.00 53.44 52.84 1t3t n ALA 1010Cb 0.32 -1.48 -0.04 0.00 0.00 0.00 0.00 19.45 18.25 1t3t n ALA 1010CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1t3t s ASN 1011N -2.64 6.24 0.62 0.00 3.84 -1.03 -4.90 114.94 117.08 1t3t s ASN 1011Ca 0.26 -1.51 0.39 0.00 0.21 0.00 0.00 52.86 52.22 1t3t s ASN 1011Cb 0.20 -2.31 2.07 0.00 -0.55 0.00 0.00 41.25 40.66 1t3t s ASN 1011CO 0.47 -1.11 2.26 -0.78 -2.79 0.00 0.00 177.10 175.15 1t3t h ASP 1012N 9.12 0.00 0.65 -4.21 3.58 -1.87 -2.57 116.42 121.13 1t3t h ASP 1012Ca -0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.21 1t3t h ASP 1012Cb 1.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1t3t h ASP 1012CO 1.09 0.01 0.00 0.35 -2.88 0.00 0.00 179.24 177.82 1t3t n THR 1013N -3.23 0.55 -1.66 2.25 -2.24 -1.26 -4.78 114.28 103.91 1t3t n THR 1013Ca -0.02 0.14 -0.49 0.00 -2.27 0.00 0.00 64.05 61.41 1t3t n THR 1013Cb 0.13 -0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 67.53 1t3t n THR 1013CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1t3t n ASP 1014N -1.47 3.28 -0.02 3.42 -0.08 -0.97 -4.83 116.55 115.89 1t3t n ASP 1014Ca 0.06 0.89 0.15 0.00 -1.51 0.00 0.00 54.79 54.38 1t3t n ASP 1014Cb 0.23 -1.36 0.72 0.00 2.34 0.00 0.00 41.12 43.05 1t3t n ASP 1014CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1t3t n PRO 1015N 6.83 0.43 -0.07 -0.67 -0.04 -1.26 -5.04 135.00 135.19 1t3t n PRO 1015Ca 0.25 -0.03 0.01 0.00 -0.04 0.00 0.00 63.50 63.68 1t3t n PRO 1015Cb 0.29 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.25 1t3t n PRO 1015CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1t3t n GLY 1016N 1.30 -1.48 3.77 0.55 0.00 -1.26 -4.83 105.19 103.24 1t3t n GLY 1016Ca 0.14 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 1t3t n GLY 1016CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t3t n LEU 1017N -1.55 4.75 -3.72 0.99 4.77 -0.31 -4.78 117.00 117.15 1t3t n LEU 1017Ca -0.00 1.21 -0.12 0.00 -0.03 0.00 0.00 56.01 57.07 1t3t n LEU 1017Cb 0.03 -1.61 -0.07 0.00 -2.33 0.00 0.00 43.42 39.44 1t3t n LEU 1017CO 0.00 0.07 0.08 0.54 -1.33 0.00 0.00 177.39 176.75 1t3t s ASN 1018N -0.19 -0.19 0.17 -1.43 4.22 -1.26 -4.80 114.94 111.45 1t3t s ASN 1018Ca 0.54 -0.08 0.08 0.00 -2.14 0.00 0.00 52.86 51.27 1t3t s ASN 1018Cb -0.48 0.38 -0.04 0.00 1.28 0.00 0.00 41.25 42.39 1t3t s ASN 1018CO 0.63 -0.61 -0.06 -0.69 -2.04 0.00 0.00 177.10 174.33 1t3t s VAL 1019N -2.35 3.43 -0.25 3.54 1.01 -1.26 -4.53 120.40 119.99 1t3t s VAL 1019Ca -0.06 -1.50 -0.02 0.00 0.00 0.00 0.00 61.98 60.39 1t3t s VAL 1019Cb -0.01 -2.70 0.13 0.00 0.00 0.00 0.00 36.38 33.80 1t3t s VAL 1019CO -0.02 -0.08 0.35 -0.54 0.00 0.00 0.00 175.10 174.82 1t3t s LYS 1020N -2.78 0.33 -0.11 2.72 1.02 -0.07 -4.98 119.74 115.87 1t3t s LYS 1020Ca 0.25 0.39 -0.03 0.00 0.02 0.00 0.00 55.97 56.60 1t3t s LYS 1020Cb -0.09 -0.57 -0.03 0.00 -0.52 0.00 0.00 37.83 36.61 1t3t s LYS 1020CO 0.16 -0.72 0.01 -0.51 -0.92 0.00 0.00 175.35 173.37 1t3t s LEU 1021N 2.50 3.60 0.00 3.17 1.43 -1.26 0.34 118.68 128.45 1t3t s LEU 1021Ca 0.11 0.11 0.23 0.00 -1.03 0.00 0.00 54.13 53.56 1t3t s LEU 1021Cb -0.15 -1.84 0.62 0.00 0.03 0.00 0.00 46.19 44.85 1t3t s LEU 1021CO -0.18 0.32 1.49 -1.54 0.23 0.00 0.00 176.35 176.67 1t3t n SER 1022N 2.51 2.35 -3.97 2.29 3.41 -1.26 -4.95 113.62 114.00 1t3t n SER 1022Ca -0.18 -1.80 -0.11 0.00 -0.26 0.00 0.00 58.87 56.52 1t3t n SER 1022Cb 0.53 -0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 1t3t n SER 1022CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1t3t s PHE 1023N -1.78 0.67 -0.46 7.33 -0.12 -1.26 -4.88 117.98 117.48 1t3t s PHE 1023Ca 0.34 -0.97 -0.27 0.00 -0.05 0.00 0.00 56.93 55.98 1t3t s PHE 1023Cb 0.20 -0.05 0.03 0.00 -0.63 0.00 0.00 43.02 42.57 1t3t s PHE 1023CO 0.30 -0.91 1.02 0.34 -0.05 0.00 0.00 175.22 175.92 1t3t s ASP 1024N -3.08 6.58 0.55 1.98 2.15 -1.26 -4.91 116.67 118.67 1t3t s ASP 1024Ca 0.28 0.32 0.23 0.00 0.43 0.00 0.00 52.55 53.80 1t3t s ASP 1024Cb 0.02 -2.50 1.53 0.00 -0.30 0.00 0.00 42.92 41.66 1t3t s ASP 1024CO 0.11 -1.13 2.19 -0.29 -0.17 0.00 0.00 175.17 175.89 1t3t h ILE 1025N 6.13 0.77 -0.00 4.11 2.10 -1.96 -2.64 117.51 126.01 1t3t h ILE 1025Ca -0.23 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.66 1t3t h ILE 1025Cb 1.07 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 37.83 1t3t h ILE 1025CO 1.07 0.01 -0.46 0.59 -1.08 0.00 0.00 178.15 178.28 1t3t n ASN 1026N -4.17 0.95 -4.59 2.19 5.03 -1.26 -4.84 115.26 108.57 1t3t n ASN 1026Ca -0.03 -0.74 -0.43 0.00 0.87 0.00 0.00 54.58 54.25 1t3t n ASN 1026Cb 0.10 0.32 -0.03 0.00 -1.02 0.00 0.00 39.78 39.15 1t3t n ASN 1026CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1t3t s GLU 1027N -2.74 3.62 -0.98 3.52 2.12 -1.00 -4.96 118.70 118.29 1t3t s GLU 1027Ca 0.17 0.38 -0.22 0.00 0.36 0.00 0.00 54.97 55.66 1t3t s GLU 1027Cb 0.18 -3.94 0.07 0.00 0.26 0.00 0.00 34.13 30.70 1t3t s GLU 1027CO 0.63 -1.44 1.34 0.34 -0.54 0.00 0.00 175.26 175.60 1t3t s ASP 1028N 2.57 6.52 0.00 -1.70 -1.08 -1.26 -4.82 116.67 116.89 1t3t s ASP 1028Ca 0.44 -1.57 0.12 0.00 -0.52 0.00 0.00 52.55 51.02 1t3t s ASP 1028Cb -0.08 -2.52 0.55 0.00 -1.46 0.00 0.00 42.92 39.41 1t3t s ASP 1028CO 0.29 -1.40 1.37 2.30 0.52 0.00 0.00 175.17 178.25 1t3t n ILE 1029N 6.46 1.04 0.64 4.11 -5.35 -1.26 -1.90 119.36 123.10 1t3t n ILE 1029Ca 0.28 0.26 0.11 0.00 -0.27 0.00 0.00 62.75 63.14 1t3t n ILE 1029Cb 0.50 -1.05 0.01 0.00 -1.74 0.00 0.00 39.64 37.36 1t3t n ILE 1029CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1t3t n ALA 1030N -1.44 3.60 -0.26 -1.28 0.00 -1.26 -4.52 120.51 115.35 1t3t n ALA 1030Ca 0.04 -0.44 0.05 0.00 0.00 0.00 0.00 53.44 53.09 1t3t n ALA 1030Cb 0.13 -0.94 0.16 0.00 0.00 0.00 0.00 19.45 18.80 1t3t n ALA 1030CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3t h ALA 1031N 2.63 0.80 -0.33 0.00 0.00 -1.75 0.05 119.26 120.66 1t3t h ALA 1031Ca 0.00 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1t3t h ALA 1031Cb 0.69 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1t3t h ALA 1031CO 0.00 -0.42 0.22 -1.35 0.00 0.00 0.00 179.25 177.70 1t3t h PRO 1032N 0.10 0.35 0.04 0.00 0.11 -1.80 -0.27 132.00 130.54 1t3t h PRO 1032Ca 0.42 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.38 1t3t h PRO 1032Cb 0.74 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.78 1t3t h PRO 1032CO -0.67 0.23 -0.54 1.88 -0.21 0.00 0.00 178.00 178.70 1t3t h TYR 1033N 0.36 0.45 -0.59 0.65 0.05 -1.35 -3.28 116.97 113.26 1t3t h TYR 1033Ca 0.13 -0.28 0.00 0.00 0.05 0.00 0.00 58.73 58.64 1t3t h TYR 1033Cb 0.08 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 37.76 1t3t h TYR 1033CO -0.00 1.14 0.39 0.82 -1.05 0.00 0.00 178.16 179.46 1t3t h ILE 1034N -0.36 1.15 0.00 -2.88 2.04 -0.84 -2.11 117.51 114.52 1t3t h ILE 1034Ca -0.08 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 1t3t h ILE 1034Cb 1.32 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1t3t h ILE 1034CO 0.10 0.15 -0.00 0.00 0.00 0.00 0.00 178.15 178.40 1t3t h ALA 1035N 1.62 1.04 0.00 1.87 0.00 -1.11 -1.36 119.26 121.31 1t3t h ALA 1035Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1t3t h ALA 1035Cb -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1t3t h ALA 1035CO -0.05 0.00 -0.11 0.25 0.00 0.00 0.00 179.25 179.35 1t3t n THR 1036N -3.14 0.33 -0.57 0.00 -2.24 -0.79 -4.92 114.28 102.96 1t3t n THR 1036Ca -0.02 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1t3t n THR 1036Cb 0.11 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1t3t n THR 1036CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t3t n GLY 1037N 1.39 1.83 3.63 3.38 0.00 -0.51 -4.98 105.19 109.93 1t3t n GLY 1037Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1t3t n GLY 1037CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3t s ALA 1038N -3.56 3.53 -0.28 4.61 0.00 -1.26 -5.02 121.76 119.78 1t3t s ALA 1038Ca 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.82 1t3t s ALA 1038Cb 0.00 -3.52 0.07 0.00 0.00 0.00 0.00 23.12 19.67 1t3t s ALA 1038CO 0.00 -1.33 -0.07 1.03 0.00 0.00 0.00 175.76 175.39 1t3t s ARG 1039N 3.34 2.02 0.49 0.00 0.52 -1.26 -4.74 118.95 119.32 1t3t s ARG 1039Ca 0.40 -1.47 -0.23 0.00 -0.52 0.00 0.00 55.73 53.91 1t3t s ARG 1039Cb -0.13 -2.96 -0.06 0.00 0.52 0.00 0.00 34.95 32.31 1t3t s ARG 1039CO 0.13 -0.67 1.26 -2.14 0.02 0.00 0.00 175.30 173.91 1t3t s PRO 1040N 1.06 3.52 0.34 3.54 0.02 -1.26 -4.33 135.00 137.89 1t3t s PRO 1040Ca -0.04 2.01 -0.13 0.00 0.02 0.00 0.00 61.00 62.86 1t3t s PRO 1040Cb -0.20 -2.38 -0.08 0.00 0.02 0.00 0.00 34.50 31.86 1t3t s PRO 1040CO -0.06 -0.82 0.73 0.15 -0.33 0.00 0.00 177.00 176.68 1t3t s LYS 1041N -2.74 3.92 -0.06 5.54 1.02 -1.26 -0.57 119.74 125.59 1t3t s LYS 1041Ca 0.66 0.58 0.01 0.00 0.02 0.00 0.00 55.97 57.24 1t3t s LYS 1041Cb -0.35 -2.44 0.02 0.00 -0.52 0.00 0.00 37.83 34.55 1t3t s LYS 1041CO 0.42 0.12 -0.06 0.54 -0.92 0.00 0.00 175.35 175.44 1t3t s VAL 1042N -2.08 0.74 -0.46 3.17 0.11 -0.89 -3.80 120.40 117.19 1t3t s VAL 1042Ca 0.53 -0.21 -0.29 0.00 -2.93 0.00 0.00 61.98 59.08 1t3t s VAL 1042Cb -0.10 -0.74 0.02 0.00 -1.53 0.00 0.00 36.38 34.03 1t3t s VAL 1042CO 0.21 0.28 1.23 0.00 -3.33 0.00 0.00 175.10 173.49 1t3t s ALA 1043N 1.04 3.12 -0.93 1.54 0.00 -0.54 -1.52 121.76 124.46 1t3t s ALA 1043Ca -0.09 -0.37 -0.18 0.00 0.00 0.00 0.00 51.96 51.32 1t3t s ALA 1043Cb -0.14 -3.91 0.14 0.00 0.00 0.00 0.00 23.12 19.21 1t3t s ALA 1043CO -0.00 -2.30 1.11 0.08 0.00 0.00 0.00 175.76 174.65 1t3t s VAL 1044N 4.77 4.81 0.12 0.00 1.01 0.24 -1.00 120.40 130.36 1t3t s VAL 1044Ca 0.52 -1.69 -0.30 0.00 0.00 0.00 0.00 61.98 60.51 1t3t s VAL 1044Cb -0.09 -4.76 -0.07 0.00 0.00 0.00 0.00 36.38 31.46 1t3t s VAL 1044CO 0.32 -1.48 1.25 -0.22 0.00 0.00 0.00 175.10 174.98 1t3t s LEU 1045N 2.44 4.40 -0.01 3.92 2.96 0.39 -1.94 118.68 130.83 1t3t s LEU 1045Ca 0.32 2.19 -0.07 0.00 -0.22 0.00 0.00 54.13 56.35 1t3t s LEU 1045Cb -0.05 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.05 1t3t s LEU 1045CO -0.09 -0.49 0.14 0.00 -1.32 0.00 0.00 176.35 174.59 1t3t s ARG 1046N 0.56 0.40 0.39 1.98 1.70 -0.57 -2.50 118.95 120.91 1t3t s ARG 1046Ca 0.58 -0.25 0.08 0.00 -0.47 0.00 0.00 55.73 55.67 1t3t s ARG 1046Cb -0.33 0.17 -0.08 0.00 -0.57 0.00 0.00 34.95 34.15 1t3t s ARG 1046CO 0.33 -0.09 -0.02 -2.00 -1.08 0.00 0.00 175.30 172.44 1t3t s GLU 1047N -1.01 1.91 0.24 3.89 2.56 -1.26 -1.36 118.70 123.68 1t3t s GLU 1047Ca -0.11 -2.05 -0.31 0.00 0.00 0.00 0.00 54.97 52.49 1t3t s GLU 1047Cb -0.06 -1.63 -0.12 0.00 2.00 0.00 0.00 34.13 34.31 1t3t s GLU 1047CO 0.01 0.00 1.61 0.00 -0.56 0.00 0.00 175.26 176.32 1t3t n GLN 1048N -0.91 2.58 0.00 4.30 10.64 -1.26 -1.35 117.38 131.37 1t3t n GLN 1048Ca -0.05 0.92 0.00 0.00 -1.83 0.00 0.00 57.00 56.04 1t3t n GLN 1048Cb 0.66 -2.71 0.00 0.00 -0.86 0.00 0.00 30.24 27.33 1t3t n GLN 1048CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1t3t n GLY 1049N 2.88 2.60 3.76 2.61 0.00 -1.26 -2.26 105.19 113.51 1t3t n GLY 1049Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1t3t n GLY 1049CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t3t s VAL 1050N -2.66 3.01 0.00 1.61 1.01 -0.46 -1.56 120.40 121.34 1t3t s VAL 1050Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1t3t s VAL 1050Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1t3t s VAL 1050CO 0.00 0.21 0.30 -0.46 0.00 0.00 0.00 175.10 175.15 1t3t n ASN 1051N 1.33 0.36 -0.94 3.32 0.23 -0.64 -4.83 115.26 114.09 1t3t n ASN 1051Ca 0.01 -1.09 0.08 0.00 -0.53 0.00 0.00 54.58 53.05 1t3t n ASN 1051Cb 0.43 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.39 1t3t n ASN 1051CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1t3t n SER 1052N -0.04 3.84 0.05 0.53 7.64 -0.70 -4.70 113.62 120.24 1t3t n SER 1052Ca 0.00 -3.07 -0.08 0.00 1.01 0.00 0.00 58.87 56.72 1t3t n SER 1052Cb 0.26 -0.56 0.06 0.00 -1.01 0.00 0.00 64.21 62.96 1t3t n SER 1052CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1t3t h HIS 1053N 1.79 0.50 0.09 1.43 2.07 -1.88 -3.12 115.15 116.03 1t3t h HIS 1053Ca 0.02 -0.20 -0.00 0.00 -2.85 0.00 0.00 60.37 57.33 1t3t h HIS 1053Cb 1.49 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 31.38 1t3t h HIS 1053CO 0.55 0.93 -0.04 0.28 -3.07 0.00 0.00 177.93 176.58 1t3t h VAL 1054N 0.27 0.95 0.00 6.12 2.07 -1.96 -1.13 116.25 122.57 1t3t h VAL 1054Ca -0.02 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 1t3t h VAL 1054Cb 1.21 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1t3t h VAL 1054CO 0.11 0.03 -0.47 1.05 0.02 0.00 0.00 177.57 178.31 1t3t h GLU 1055N -0.18 0.00 -0.43 1.57 9.09 -1.81 -1.52 114.58 121.31 1t3t h GLU 1055Ca -0.01 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.34 1t3t h GLU 1055Cb 0.14 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.23 1t3t h GLU 1055CO 0.02 0.47 0.03 1.98 0.05 0.00 0.00 179.01 181.56 1t3t h MET 1056N 0.00 0.73 -0.72 1.06 4.05 -1.44 -1.10 114.93 117.51 1t3t h MET 1056Ca -0.00 -0.22 -0.03 0.00 -0.28 0.00 0.00 59.70 59.17 1t3t h MET 1056Cb 0.85 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.55 1t3t h MET 1056CO 0.06 0.79 0.33 0.00 0.23 0.00 0.00 176.91 178.32 1t3t h ALA 1057N 0.91 0.93 -0.26 0.39 0.00 -0.96 -2.39 119.26 117.88 1t3t h ALA 1057Ca 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1t3t h ALA 1057Cb 0.44 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1t3t h ALA 1057CO 0.02 0.50 -0.02 0.00 0.00 0.00 0.00 179.25 179.75 1t3t h ALA 1058N 1.16 1.48 -0.16 0.00 0.00 -0.96 -0.07 119.26 120.71 1t3t h ALA 1058Ca 0.24 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1t3t h ALA 1058Cb 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1t3t h ALA 1058CO -0.03 0.37 -0.18 0.00 0.00 0.00 0.00 179.25 179.41 1t3t h ALA 1059N 1.60 0.24 -0.13 0.00 0.00 -0.82 -1.74 119.26 118.41 1t3t h ALA 1059Ca 0.08 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1t3t h ALA 1059Cb 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1t3t h ALA 1059CO 0.01 0.16 -0.35 0.74 0.00 0.00 0.00 179.25 179.81 1t3t h PHE 1060N 0.05 0.31 -0.44 0.00 0.04 -1.19 -2.71 116.94 113.00 1t3t h PHE 1060Ca 0.02 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 1t3t h PHE 1060Cb 0.73 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.79 1t3t h PHE 1060CO 0.09 0.59 0.20 1.25 -0.60 0.00 0.00 178.31 179.84 1t3t h HIS 1061N 0.23 0.64 -0.22 -0.55 2.76 -0.94 -1.27 115.15 115.81 1t3t h HIS 1061Ca 0.03 -0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1t3t h HIS 1061Cb 0.73 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 1t3t h HIS 1061CO 0.01 0.53 0.15 -0.09 -1.30 0.00 0.00 177.93 177.23 1t3t h ARG 1062N 0.56 0.21 -0.07 5.26 1.12 -1.02 -0.43 114.38 120.00 1t3t h ARG 1062Ca 0.15 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.01 1t3t h ARG 1062Cb 0.14 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.05 1t3t h ARG 1062CO -0.02 0.14 0.00 0.00 -3.11 0.00 0.00 179.97 176.98 1t3t n ALA 1063N -2.52 2.57 -0.02 2.80 0.00 -0.65 -4.92 120.51 117.77 1t3t n ALA 1063Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1t3t n ALA 1063Cb 0.14 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1t3t n ALA 1063CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t3t n GLY 1064N 1.06 0.99 3.94 0.00 0.00 -0.17 -4.72 105.19 106.29 1t3t n GLY 1064Ca 0.17 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1t3t n GLY 1064CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t3t s PHE 1065N -2.00 3.50 -0.54 1.61 0.08 -0.57 -4.06 117.98 116.00 1t3t s PHE 1065Ca 0.00 0.39 -0.15 0.00 0.12 0.00 0.00 56.93 57.28 1t3t s PHE 1065Cb 0.00 -1.92 0.13 0.00 -0.57 0.00 0.00 43.02 40.66 1t3t s PHE 1065CO 0.00 0.11 0.48 -0.51 -0.10 0.00 0.00 175.22 175.21 1t3t s ASP 1066N -3.98 6.14 -0.13 1.36 1.01 0.26 -4.27 116.67 117.06 1t3t s ASP 1066Ca 0.40 -1.82 -0.29 0.00 0.71 0.00 0.00 52.55 51.55 1t3t s ASP 1066Cb -0.10 -2.19 -0.02 0.00 1.01 0.00 0.00 42.92 41.63 1t3t s ASP 1066CO 0.36 -0.84 1.27 0.00 0.21 0.00 0.00 175.17 176.17 1t3t s ALA 1067N 1.55 3.62 -0.14 5.23 0.00 -1.26 -2.10 121.76 128.66 1t3t s ALA 1067Ca 0.04 0.53 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 1t3t s ALA 1067Cb -0.29 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 1t3t s ALA 1067CO 0.02 -1.08 -0.05 0.42 0.00 0.00 0.00 175.76 175.07 1t3t s ILE 1068N 3.18 3.78 -0.46 0.00 -1.09 -0.57 -0.97 121.20 125.06 1t3t s ILE 1068Ca 0.56 -0.41 -0.29 0.00 -2.23 0.00 0.00 60.65 58.29 1t3t s ILE 1068Cb -0.23 -2.63 0.02 0.00 -1.58 0.00 0.00 42.46 38.03 1t3t s ILE 1068CO 0.17 0.51 1.30 -0.62 -1.23 0.00 0.00 174.94 175.08 1t3t s ASP 1069N 0.21 6.42 -0.36 3.58 2.15 0.20 -0.59 116.67 128.28 1t3t s ASP 1069Ca -0.03 0.60 0.01 0.00 0.43 0.00 0.00 52.55 53.56 1t3t s ASP 1069Cb -0.14 -2.54 0.10 0.00 -0.30 0.00 0.00 42.92 40.03 1t3t s ASP 1069CO 0.03 -1.41 0.10 -0.69 -0.17 0.00 0.00 175.17 173.03 1t3t s VAL 1070N 5.14 2.68 0.39 1.11 1.01 -0.82 -4.94 120.40 124.97 1t3t s VAL 1070Ca 0.55 -2.17 -0.14 0.00 0.00 0.00 0.00 61.98 60.22 1t3t s VAL 1070Cb -0.11 -2.88 -0.08 0.00 0.00 0.00 0.00 36.38 33.31 1t3t s VAL 1070CO 0.31 -0.59 0.80 -2.28 0.00 0.00 0.00 175.10 173.35 1t3t s HIS 1071N 1.01 3.42 0.53 5.22 2.46 -1.26 -1.51 115.29 125.17 1t3t s HIS 1071Ca 0.08 1.20 0.18 0.00 0.47 0.00 0.00 55.06 57.00 1t3t s HIS 1071Cb -0.20 -2.55 1.37 0.00 -0.13 0.00 0.00 32.58 31.06 1t3t s HIS 1071CO -0.06 -0.07 2.17 0.52 -2.47 0.00 0.00 174.74 174.83 1t3t h MET 1072N 1.62 0.00 0.00 2.88 2.86 -1.58 0.65 114.93 121.36 1t3t h MET 1072Ca -0.47 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.09 1t3t h MET 1072Cb 1.18 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 1t3t h MET 1072CO 0.64 0.00 -0.34 0.66 1.06 0.00 0.00 176.91 178.93 1t3t h SER 1073N 0.00 0.00 -0.38 1.22 4.64 -1.86 -1.54 113.55 115.63 1t3t h SER 1073Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1t3t h SER 1073Cb 0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1t3t h SER 1073CO -0.00 0.34 -0.16 0.44 -0.87 0.00 0.00 176.83 176.58 1t3t h ASP 1074N 0.00 0.86 -0.21 4.97 3.32 -1.20 -0.42 116.42 123.74 1t3t h ASP 1074Ca -0.00 -0.29 -0.12 0.00 0.02 0.00 0.00 57.03 56.64 1t3t h ASP 1074Cb 0.62 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 1t3t h ASP 1074CO 0.04 1.02 -0.33 -0.07 -1.72 0.00 0.00 179.24 178.18 1t3t h LEU 1075N 0.75 0.65 -1.22 1.55 3.38 -1.22 -1.13 115.31 118.07 1t3t h LEU 1075Ca 0.11 -0.52 -0.08 0.00 0.09 0.00 0.00 57.88 57.48 1t3t h LEU 1075Cb 0.69 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1t3t h LEU 1075CO 0.05 1.05 -0.30 -0.07 0.09 0.00 0.00 178.44 179.26 1t3t h LEU 1076N 0.27 0.16 0.00 1.67 3.38 -1.24 -2.80 115.31 116.75 1t3t h LEU 1076Ca 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1t3t h LEU 1076Cb 0.91 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1t3t h LEU 1076CO 0.08 0.45 -0.26 0.61 0.09 0.00 0.00 178.44 179.41 1t3t n GLY 1077N -0.53 -1.44 1.87 0.83 0.00 -0.17 -4.93 105.19 100.81 1t3t n GLY 1077Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1t3t n GLY 1077CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t3t n GLY 1078N 1.44 0.63 0.22 -0.02 0.00 -0.84 -4.91 105.19 101.71 1t3t n GLY 1078Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.18 1t3t n GLY 1078CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1t3t h ARG 1079N 1.73 0.00 -4.00 1.61 3.08 -1.50 -3.43 114.38 111.87 1t3t h ARG 1079Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 1t3t h ARG 1079Cb 0.00 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 29.75 1t3t h ARG 1079CO 0.00 0.22 -0.75 0.42 -1.07 0.00 0.00 179.97 178.80 1t3t s ILE 1080N -3.57 0.27 -0.06 2.04 1.01 -1.11 -5.03 121.20 114.73 1t3t s ILE 1080Ca 0.01 -0.08 0.05 0.00 0.00 0.00 0.00 60.65 60.63 1t3t s ILE 1080Cb 0.10 -0.27 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 1t3t s ILE 1080CO 0.64 0.11 -0.22 -0.83 0.00 0.00 0.00 174.94 174.64 1t3t s GLY 1081N 0.30 1.18 0.58 6.18 0.00 -1.26 -4.45 107.32 109.84 1t3t s GLY 1081Ca -0.03 -0.91 0.37 0.00 0.00 0.00 0.00 44.72 44.15 1t3t s GLY 1081CO -0.01 -0.47 2.10 1.41 0.00 0.00 0.00 173.10 176.14 1t3t h LEU 1082N 6.28 0.00 -1.84 0.66 3.38 -1.96 -2.97 115.31 118.86 1t3t h LEU 1082Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1t3t h LEU 1082Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1t3t h LEU 1082CO 0.47 0.00 0.00 1.23 0.09 0.00 0.00 178.44 180.23 1t3t h GLY 1083N 1.29 0.00 -0.56 0.83 0.00 -1.95 -1.00 103.07 101.68 1t3t h GLY 1083Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t3t h GLY 1083CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 1t3t n ASN 1084N -2.60 1.59 -4.50 0.19 4.13 -1.12 -4.91 115.26 108.04 1t3t n ASN 1084Ca -0.01 -1.53 -0.31 0.00 1.68 0.00 0.00 54.58 54.41 1t3t n ASN 1084Cb 0.10 -0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.22 1t3t n ASN 1084CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1t3t s PHE 1085N -2.00 2.64 -0.40 3.10 0.08 -0.38 -4.92 117.98 116.11 1t3t s PHE 1085Ca 0.37 -0.20 0.13 0.00 0.12 0.00 0.00 56.93 57.35 1t3t s PHE 1085Cb 0.21 -1.47 -0.16 0.00 -0.57 0.00 0.00 43.02 41.03 1t3t s PHE 1085CO 0.33 0.32 0.46 0.72 -0.10 0.00 0.00 175.22 176.95 1t3t n HIS 1086N 1.32 0.00 -4.04 0.36 8.25 -1.26 -4.99 115.22 114.86 1t3t n HIS 1086Ca -0.15 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.18 1t3t n HIS 1086Cb 0.52 -0.11 -0.12 0.00 1.12 0.00 0.00 29.99 31.40 1t3t n HIS 1086CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1t3t s ALA 1087N -2.48 0.40 -0.05 -1.41 0.00 -1.25 -1.45 121.76 115.52 1t3t s ALA 1087Ca 0.01 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 1t3t s ALA 1087Cb 0.09 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1t3t s ALA 1087CO 0.54 -0.04 0.26 -1.17 0.00 0.00 0.00 175.76 175.35 1t3t s LEU 1088N -1.26 1.04 -0.04 0.00 0.20 -0.72 -1.47 118.68 116.42 1t3t s LEU 1088Ca -0.09 0.26 -0.01 0.00 0.69 0.00 0.00 54.13 54.97 1t3t s LEU 1088Cb -0.08 0.99 0.03 0.00 -0.43 0.00 0.00 46.19 46.70 1t3t s LEU 1088CO -0.00 -0.26 0.08 0.54 -0.29 0.00 0.00 176.35 176.42 1t3t s VAL 1089N -0.61 -0.09 -0.29 1.68 0.11 -0.17 -1.52 120.40 119.50 1t3t s VAL 1089Ca -0.07 0.26 -0.16 0.00 -2.93 0.00 0.00 61.98 59.08 1t3t s VAL 1089Cb -0.04 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.63 1t3t s VAL 1089CO 0.02 0.11 0.43 0.00 -3.33 0.00 0.00 175.10 172.33 1t3t s ALA 1090N 1.42 3.54 0.79 1.54 0.00 -0.15 -0.46 121.76 128.45 1t3t s ALA 1090Ca -0.05 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 50.94 1t3t s ALA 1090Cb -0.12 -2.83 0.09 0.00 0.00 0.00 0.00 23.12 20.26 1t3t s ALA 1090CO -0.04 -0.84 1.15 0.00 0.00 0.00 0.00 175.76 176.03 1t3t s GLY 1092N -4.59 1.68 0.00 0.00 0.00 -1.22 -2.15 107.32 101.04 1t3t s GLY 1092Ca 0.63 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1t3t s GLY 1092CO 0.48 -0.63 0.00 0.61 0.00 0.00 0.00 173.10 173.57 1t3t n GLY 1093N -2.62 0.54 2.37 0.20 0.00 -1.26 -1.62 105.19 102.81 1t3t n GLY 1093Ca 0.06 -1.50 -0.24 0.00 0.00 0.00 0.00 46.02 44.34 1t3t n GLY 1093CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1t3t n PHE 1094N 9.00 1.56 -1.68 1.61 3.01 -0.60 -4.55 117.46 125.81 1t3t n PHE 1094Ca 0.00 -3.85 -0.46 0.00 1.01 0.00 0.00 57.45 54.15 1t3t n PHE 1094Cb 0.00 -0.44 -0.04 0.00 -0.01 0.00 0.00 39.48 38.98 1t3t n PHE 1094CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1t3t n SER 1095N 0.74 3.35 -1.67 4.37 3.41 -1.25 -0.45 113.62 122.12 1t3t n SER 1095Ca 0.26 1.04 -0.19 0.00 -0.26 0.00 0.00 58.87 59.71 1t3t n SER 1095Cb 0.50 -1.43 -0.07 0.00 -0.26 0.00 0.00 64.21 62.95 1t3t n SER 1095CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1t3t n TYR 1096N 4.69 -0.20 -1.67 7.33 4.01 -0.96 -1.48 117.16 128.88 1t3t n TYR 1096Ca 0.19 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.78 1t3t n TYR 1096Cb 0.30 -3.38 -0.05 0.00 -0.31 0.00 0.00 39.34 35.90 1t3t n TYR 1096CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1t3t n GLY 1097N -0.44 1.06 2.87 2.72 0.00 0.41 -2.34 105.19 109.47 1t3t n GLY 1097Ca -0.20 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1t3t n GLY 1097CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t3t n ASP 1098N -0.56 -4.48 -4.76 1.61 8.00 -0.55 -4.96 116.55 110.85 1t3t n ASP 1098Ca -0.16 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 54.93 1t3t n ASP 1098Cb 0.53 -2.57 -0.02 0.00 -0.02 0.00 0.00 41.12 39.04 1t3t n ASP 1098CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1t3t s VAL 1099N -1.34 2.54 -0.58 2.53 1.01 -0.99 -1.69 120.40 121.88 1t3t s VAL 1099Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1t3t s VAL 1099Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1t3t s VAL 1099CO 0.00 0.10 0.00 0.18 0.00 0.00 0.00 175.10 175.38 1t3t n LEU 1100N 1.48 -0.62 -0.01 3.92 4.77 -1.26 -4.53 117.00 120.74 1t3t n LEU 1100Ca 0.04 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1t3t n LEU 1100Cb 0.40 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1t3t n LEU 1100CO 0.61 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1t3t n GLY 1101N -1.98 1.01 3.67 -0.72 0.00 -0.68 -4.63 105.19 101.86 1t3t n GLY 1101Ca -0.06 -1.31 -0.49 0.00 0.00 0.00 0.00 46.02 44.16 1t3t n GLY 1101CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3t n ALA 1102N 2.54 0.67 -0.13 4.61 0.00 -1.17 -1.10 120.51 125.93 1t3t n ALA 1102Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1t3t n ALA 1102Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.08 1t3t n ALA 1102CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t3t n GLY 1103N 3.86 2.67 0.08 0.00 0.00 -1.26 -4.62 105.19 105.91 1t3t n GLY 1103Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 1t3t n GLY 1103CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1t3t h GLU 1104N 2.18 0.11 -0.77 1.61 4.39 -1.37 -2.07 114.58 118.65 1t3t h GLU 1104Ca 0.00 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1t3t h GLU 1104Cb 0.00 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1t3t h GLU 1104CO 0.00 0.45 0.30 0.78 -1.16 0.00 0.00 179.01 179.38 1t3t h GLY 1105N -0.24 1.24 0.91 -3.84 0.00 -1.80 0.11 103.07 99.45 1t3t h GLY 1105Ca 0.01 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 1t3t h GLY 1105CO 0.01 0.64 -0.05 -0.25 0.00 0.00 0.00 176.54 176.88 1t3t h TRP 1106N 1.13 -0.14 -0.25 5.60 2.91 -1.90 -0.82 115.95 122.48 1t3t h TRP 1106Ca 0.26 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.26 1t3t h TRP 1106Cb 0.23 0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 28.91 1t3t h TRP 1106CO 0.02 -0.00 0.12 0.00 -1.03 0.00 0.00 178.44 177.55 1t3t h ALA 1107N 0.63 0.33 0.00 2.65 0.00 -1.18 -2.92 119.26 118.77 1t3t h ALA 1107Ca -0.02 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1t3t h ALA 1107Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1t3t h ALA 1107CO 0.03 -0.11 -0.33 0.87 0.00 0.00 0.00 179.25 179.71 1t3t h LYS 1108N 0.27 0.00 0.00 0.00 1.57 -0.76 -0.96 116.57 116.69 1t3t h LYS 1108Ca 0.09 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1t3t h LYS 1108Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1t3t h LYS 1108CO -0.01 0.33 -0.33 0.66 -0.57 0.00 0.00 179.45 179.53 1t3t h SER 1109N 0.00 0.00 0.02 0.86 4.64 -0.97 -0.40 113.55 117.70 1t3t h SER 1109Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1t3t h SER 1109Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1t3t h SER 1109CO 0.04 0.33 -0.01 0.40 -0.87 0.00 0.00 176.83 176.72 1t3t h ILE 1110N 0.00 1.49 -0.88 0.95 2.04 -1.19 -3.19 117.51 116.73 1t3t h ILE 1110Ca -0.00 -1.78 0.04 0.00 1.00 0.00 0.00 64.86 64.12 1t3t h ILE 1110Cb 0.69 2.66 -0.06 0.00 -0.74 0.00 0.00 36.82 39.37 1t3t h ILE 1110CO 0.04 0.44 0.56 -0.07 0.00 0.00 0.00 178.15 179.13 1t3t h LEU 1111N -0.83 0.92 0.00 1.44 3.38 -0.98 -2.87 115.31 116.37 1t3t h LEU 1111Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1t3t h LEU 1111Cb 0.75 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1t3t h LEU 1111CO 0.00 0.62 -0.01 0.49 0.09 0.00 0.00 178.44 179.63 1t3t n PHE 1112N -4.55 0.90 -3.37 1.13 3.72 -0.18 -4.32 117.46 110.79 1t3t n PHE 1112Ca 0.12 0.26 -0.46 0.00 -0.05 0.00 0.00 57.45 57.32 1t3t n PHE 1112Cb 0.12 -0.92 -0.04 0.00 -0.94 0.00 0.00 39.48 37.70 1t3t n PHE 1112CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1t3t s ASN 1113N -4.48 6.47 0.42 4.37 0.01 -1.10 -4.95 114.94 115.69 1t3t s ASN 1113Ca 0.11 -2.49 0.25 0.00 -0.71 0.00 0.00 52.86 50.01 1t3t s ASN 1113Cb 0.13 -2.17 1.29 0.00 0.41 0.00 0.00 41.25 40.90 1t3t s ASN 1113CO 0.60 -0.62 1.68 0.45 -1.51 0.00 0.00 177.10 177.70 1t3t h HIS 1114N 7.96 0.58 -0.22 2.20 3.86 -1.79 0.34 115.15 128.09 1t3t h HIS 1114Ca 0.00 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1t3t h HIS 1114Cb 1.05 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 1t3t h HIS 1114CO 0.93 -0.10 -0.02 -0.09 0.86 0.00 0.00 177.93 179.51 1t3t h ARG 1115N 0.21 0.40 -0.05 2.45 2.43 -1.92 -1.35 114.38 116.55 1t3t h ARG 1115Ca 0.72 -0.14 -0.20 0.00 -0.81 0.00 0.00 59.98 59.56 1t3t h ARG 1115Cb 2.11 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 31.63 1t3t h ARG 1115CO -0.37 0.61 -0.80 0.28 -1.51 0.00 0.00 179.97 178.18 1t3t h VAL 1116N 0.14 1.39 -0.86 0.20 2.07 -1.50 -2.34 116.25 115.36 1t3t h VAL 1116Ca 0.06 -2.25 -0.01 0.00 0.82 0.00 0.00 66.70 65.32 1t3t h VAL 1116Cb 0.45 2.22 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 1t3t h VAL 1116CO 0.02 0.67 0.51 -0.09 0.02 0.00 0.00 177.57 178.70 1t3t h ARG 1117N 0.26 1.17 -0.24 1.57 2.43 -0.81 -1.60 114.38 117.15 1t3t h ARG 1117Ca -0.04 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 58.92 1t3t h ARG 1117Cb 1.39 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1t3t h ARG 1117CO 0.14 0.83 -0.24 -0.44 -1.51 0.00 0.00 179.97 178.75 1t3t h ASP 1118N 1.18 0.45 -0.19 -3.80 3.32 -1.12 -1.10 116.42 115.16 1t3t h ASP 1118Ca 0.31 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1t3t h ASP 1118Cb -0.03 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1t3t h ASP 1118CO -0.06 0.69 0.06 -0.08 -1.72 0.00 0.00 179.24 178.13 1t3t h GLU 1119N 0.40 0.29 -0.26 3.56 4.81 -0.77 -0.79 114.58 121.82 1t3t h GLU 1119Ca 0.06 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1t3t h GLU 1119Cb 0.64 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1t3t h GLU 1119CO 0.05 0.40 -0.03 0.74 -0.73 0.00 0.00 179.01 179.44 1t3t h PHE 1120N 0.13 0.53 -0.78 0.92 0.04 -1.17 -2.26 116.94 114.35 1t3t h PHE 1120Ca 0.06 -0.10 0.03 0.00 2.80 0.00 0.00 57.97 60.75 1t3t h PHE 1120Cb 0.23 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.20 1t3t h PHE 1120CO 0.00 0.67 0.50 1.49 -0.60 0.00 0.00 178.31 180.37 1t3t h GLU 1121N 0.24 0.96 -0.56 1.51 4.81 -1.13 -1.50 114.58 118.91 1t3t h GLU 1121Ca 0.07 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1t3t h GLU 1121Cb 0.47 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1t3t h GLU 1121CO 0.02 0.64 0.27 1.15 -0.73 0.00 0.00 179.01 180.35 1t3t h THR 1122N 0.99 1.20 0.07 0.32 2.02 -1.07 -1.84 112.91 114.60 1t3t h THR 1122Ca 0.31 -0.58 0.01 0.00 0.77 0.00 0.00 66.41 66.92 1t3t h THR 1122Cb -0.01 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1t3t h THR 1122CO -0.10 0.23 -0.15 0.15 0.37 0.00 0.00 175.52 176.02 1t3t h PHE 1123N 0.75 -0.38 -0.00 3.16 3.57 -0.76 -2.48 116.94 120.80 1t3t h PHE 1123Ca 0.19 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1t3t h PHE 1123Cb 0.12 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1t3t h PHE 1123CO -0.00 -0.22 -0.19 0.74 -2.23 0.00 0.00 178.31 176.41 1t3t h PHE 1124N -0.29 0.00 -0.00 0.41 0.04 -1.21 -2.63 116.94 113.27 1t3t h PHE 1124Ca 0.03 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1t3t h PHE 1124Cb 0.31 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1t3t h PHE 1124CO -0.17 0.19 -0.06 0.72 -0.60 0.00 0.00 178.31 178.39 1t3t n HIS 1125N -4.32 0.00 -2.42 -0.55 8.25 -0.70 -4.69 115.22 110.78 1t3t n HIS 1125Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.06 1t3t n HIS 1125Cb 0.25 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 31.01 1t3t n HIS 1125CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1t3t s ARG 1126N -2.70 4.12 0.57 -0.41 0.52 -0.98 -4.96 118.95 115.10 1t3t s ARG 1126Ca 0.23 1.67 0.29 0.00 -0.52 0.00 0.00 55.73 57.40 1t3t s ARG 1126Cb 0.20 -2.62 1.73 0.00 0.52 0.00 0.00 34.95 34.78 1t3t s ARG 1126CO 0.50 -0.22 2.21 -1.00 0.02 0.00 0.00 175.30 176.81 1t3t h PRO 1127N 2.59 0.00 0.00 3.54 0.13 -1.89 -3.32 132.00 133.05 1t3t h PRO 1127Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1t3t h PRO 1127Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1t3t h PRO 1127CO 0.62 0.04 0.00 1.04 -0.23 0.00 0.00 178.00 179.47 1t3t n GLN 1128N -3.77 0.52 -2.16 0.86 1.13 -1.26 -5.07 117.38 107.63 1t3t n GLN 1128Ca -0.03 -0.75 -0.34 0.00 -1.94 0.00 0.00 57.00 53.94 1t3t n GLN 1128Cb 0.13 -0.88 0.01 0.00 0.11 0.00 0.00 30.24 29.61 1t3t n GLN 1128CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1t3t s THR 1129N -0.32 3.37 0.01 5.09 -4.23 -1.25 -4.98 115.64 113.33 1t3t s THR 1129Ca 0.00 0.77 0.07 0.00 -1.18 0.00 0.00 61.69 61.35 1t3t s THR 1129Cb 0.00 -3.28 -0.02 0.00 1.34 0.00 0.00 72.50 70.54 1t3t s THR 1129CO 0.00 -0.26 -0.20 -0.76 -0.54 0.00 0.00 174.62 172.86 1t3t s LEU 1130N -4.10 2.10 -0.01 4.79 1.43 -0.53 -4.82 118.68 117.54 1t3t s LEU 1130Ca 0.69 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1t3t s LEU 1130Cb -0.21 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.02 1t3t s LEU 1130CO 0.31 0.20 0.05 0.00 0.23 0.00 0.00 176.35 177.14 1t3t s ALA 1131N -0.62 -0.11 -0.03 4.21 0.00 -0.57 -1.76 121.76 122.88 1t3t s ALA 1131Ca 0.07 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.05 1t3t s ALA 1131Cb -0.08 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1t3t s ALA 1131CO 0.00 -0.07 -0.08 -1.17 0.00 0.00 0.00 175.76 174.44 1t3t s LEU 1132N -0.39 1.74 -0.13 0.00 2.96 -0.58 -1.81 118.68 120.48 1t3t s LEU 1132Ca -0.04 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1t3t s LEU 1132Cb -0.03 -0.53 0.02 0.00 0.50 0.00 0.00 46.19 46.15 1t3t s LEU 1132CO 0.00 0.05 -0.13 -0.83 -1.32 0.00 0.00 176.35 174.12 1t3t s GLY 1133N 0.28 1.03 -0.02 7.98 0.00 -0.64 -0.98 107.32 114.98 1t3t s GLY 1133Ca -0.04 -0.77 0.04 0.00 0.00 0.00 0.00 44.72 43.95 1t3t s GLY 1133CO 0.01 0.47 1.05 -0.62 0.00 0.00 0.00 173.10 174.01 1t3t n VAL 1134N 4.59 1.12 0.00 1.40 0.31 -0.83 -1.07 118.33 123.85 1t3t n VAL 1134Ca -0.17 -1.15 0.00 0.00 -0.01 0.00 0.00 64.34 63.01 1t3t n VAL 1134Cb 0.50 0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.84 1t3t n VAL 1134CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1t3t n ASN 1136N -0.48 0.00 0.13 4.52 4.05 -1.26 -3.38 115.26 118.84 1t3t n ASN 1136Ca 0.03 0.00 -0.02 0.00 0.45 0.00 0.00 54.58 55.05 1t3t n ASN 1136Cb 0.32 0.00 0.16 0.00 1.23 0.00 0.00 39.78 41.50 1t3t n ASN 1136CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 1t3t h GLY 1137N 0.00 0.02 0.91 8.20 0.00 -1.58 -1.15 103.07 109.48 1t3t h GLY 1137Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.20 1t3t h GLY 1137CO 0.00 0.03 -0.22 0.00 0.00 0.00 0.00 176.54 176.35 1t3t h GLN 1139N 0.34 0.80 0.28 0.00 4.20 -1.86 -1.67 115.11 117.20 1t3t h GLN 1139Ca 0.05 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1t3t h GLN 1139Cb 0.77 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1t3t h GLN 1139CO 0.06 0.73 -0.13 1.98 -0.67 0.00 0.00 178.83 180.79 1t3t h MET 1140N 0.71 -0.36 -0.09 1.46 4.05 -1.16 -2.75 114.93 116.78 1t3t h MET 1140Ca 0.17 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.58 1t3t h MET 1140Cb 0.25 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 1t3t h MET 1140CO -0.01 -0.23 -0.10 0.52 0.23 0.00 0.00 176.91 177.32 1t3t h MET 1141N -0.40 0.14 0.00 0.39 2.86 -1.24 -0.84 114.93 115.84 1t3t h MET 1141Ca -0.04 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1t3t h MET 1141Cb 0.30 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1t3t h MET 1141CO 0.06 0.25 -0.18 0.66 1.06 0.00 0.00 176.91 178.76 1t3t h SER 1142N 0.14 0.00 -0.08 1.22 4.64 -1.09 -0.54 113.55 117.84 1t3t h SER 1142Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1t3t h SER 1142Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1t3t h SER 1142CO 0.02 0.18 0.00 0.59 -0.87 0.00 0.00 176.83 176.75 1t3t n ASN 1143N -3.66 1.53 -0.64 4.97 3.02 -0.34 -3.73 115.26 116.40 1t3t n ASN 1143Ca -0.01 -1.58 0.07 0.00 -0.03 0.00 0.00 54.58 53.03 1t3t n ASN 1143Cb 0.31 -0.04 0.18 0.00 -0.61 0.00 0.00 39.78 39.61 1t3t n ASN 1143CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1t3t n LEU 1144N 0.20 3.18 -0.33 3.41 4.77 -0.22 -4.79 117.00 123.23 1t3t n LEU 1144Ca 0.18 -2.47 0.24 0.00 -0.03 0.00 0.00 56.01 53.93 1t3t n LEU 1144Cb 0.34 -0.35 0.46 0.00 -2.33 0.00 0.00 43.42 41.54 1t3t n LEU 1144CO 0.15 0.69 0.97 0.03 -1.33 0.00 0.00 177.39 177.90 1t3t h ARG 1145N 1.62 0.04 -0.11 3.23 3.08 -1.63 0.79 114.38 121.40 1t3t h ARG 1145Ca 0.00 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1t3t h ARG 1145Cb 1.01 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 1t3t h ARG 1145CO 0.09 0.02 0.16 1.05 -1.07 0.00 0.00 179.97 180.22 1t3t h GLU 1146N 0.04 0.00 0.00 0.04 4.11 -1.92 -1.59 114.58 115.26 1t3t h GLU 1146Ca 0.74 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.17 1t3t h GLU 1146Cb 1.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1t3t h GLU 1146CO -0.81 0.00 -0.94 1.28 0.07 0.00 0.00 179.01 178.62 1t3t n LEU 1147N -3.61 0.70 -4.40 3.06 4.32 0.27 -4.89 117.00 112.44 1t3t n LEU 1147Ca -0.00 -0.19 -0.36 0.00 -0.02 0.00 0.00 56.01 55.44 1t3t n LEU 1147Cb 0.26 -0.09 -0.13 0.00 -1.62 0.00 0.00 43.42 41.83 1t3t n LEU 1147CO 0.25 0.14 -0.32 -0.63 -1.22 0.00 0.00 177.39 175.61 1t3t s ILE 1148N -3.09 3.99 0.46 -0.08 1.01 -0.60 -4.57 121.20 118.32 1t3t s ILE 1148Ca 0.06 -0.28 -0.23 0.00 0.00 0.00 0.00 60.65 60.20 1t3t s ILE 1148Cb 0.16 -2.85 -0.07 0.00 0.01 0.00 0.00 42.46 39.70 1t3t s ILE 1148CO 0.81 0.37 1.23 -2.84 0.00 0.00 0.00 174.94 174.51 1t3t s PRO 1149N 1.56 3.69 -1.18 2.79 0.02 -1.26 -3.25 135.00 137.37 1t3t s PRO 1149Ca 0.06 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.04 1t3t s PRO 1149Cb -0.15 -2.47 0.00 0.00 0.02 0.00 0.00 34.50 31.91 1t3t s PRO 1149CO 0.01 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 1t3t n GLY 1150N 0.57 1.04 0.42 0.52 0.00 -1.26 -4.63 105.19 101.86 1t3t n GLY 1150Ca 0.07 -0.49 0.04 0.00 0.00 0.00 0.00 46.02 45.64 1t3t n GLY 1150CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t3t n SER 1151N 0.10 2.65 0.13 1.61 3.41 -1.20 -2.73 113.62 117.59 1t3t n SER 1151Ca -0.12 -2.08 0.18 0.00 -0.26 0.00 0.00 58.87 56.60 1t3t n SER 1151Cb 0.41 -0.17 0.77 0.00 -0.26 0.00 0.00 64.21 64.96 1t3t n SER 1151CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1t3t h GLU 1152N 1.28 0.00 -0.03 4.33 4.11 -1.88 -1.74 114.58 120.65 1t3t h GLU 1152Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1t3t h GLU 1152Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1t3t h GLU 1152CO 0.01 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.37 1t3t n LEU 1153N -3.94 1.90 -4.77 3.06 4.77 -1.26 -4.97 117.00 111.79 1t3t n LEU 1153Ca 0.05 -0.64 -0.40 0.00 -0.03 0.00 0.00 56.01 54.99 1t3t n LEU 1153Cb 0.46 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1t3t n LEU 1153CO 0.30 0.32 1.05 0.26 -1.33 0.00 0.00 177.39 177.99 1t3t s TRP 1154N -1.99 2.63 0.62 -1.77 0.52 -0.66 -4.71 118.94 113.59 1t3t s TRP 1154Ca 0.35 1.29 -0.04 0.00 0.02 0.00 0.00 56.10 57.73 1t3t s TRP 1154Cb 0.21 -3.86 0.13 0.00 -1.15 0.00 0.00 33.47 28.80 1t3t s TRP 1154CO 0.32 -2.63 0.85 -0.35 0.02 0.00 0.00 176.95 175.16 1t3t n PRO 1155N 0.13 -0.25 -4.03 4.98 -0.04 -1.26 -5.03 135.00 129.50 1t3t n PRO 1155Ca 0.03 -1.97 -0.22 0.00 -0.04 0.00 0.00 63.50 61.31 1t3t n PRO 1155Cb 0.42 -0.67 -0.04 0.00 -0.04 0.00 0.00 33.50 33.16 1t3t n PRO 1155CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1t3t s ARG 1156N -4.72 2.83 -0.20 0.54 0.52 -0.25 -4.91 118.95 112.75 1t3t s ARG 1156Ca 0.54 -1.15 0.02 0.00 -0.52 0.00 0.00 55.73 54.61 1t3t s ARG 1156Cb -0.03 -2.52 0.03 0.00 0.52 0.00 0.00 34.95 32.96 1t3t s ARG 1156CO 0.36 0.30 -0.16 -0.06 0.02 0.00 0.00 175.30 175.76 1t3t s PHE 1157N -2.20 2.88 0.45 -0.53 0.08 -1.26 -0.25 117.98 117.16 1t3t s PHE 1157Ca 0.35 -1.84 0.03 0.00 0.12 0.00 0.00 56.93 55.59 1t3t s PHE 1157Cb -0.07 -1.89 -0.01 0.00 -0.57 0.00 0.00 43.02 40.48 1t3t s PHE 1157CO 0.25 -0.82 0.09 1.33 -0.10 0.00 0.00 175.22 175.97 1t3t n VAL 1158N 4.57 0.00 -1.53 -0.44 0.24 0.17 -4.80 118.33 116.55 1t3t n VAL 1158Ca -0.18 -2.39 -0.55 0.00 -2.04 0.00 0.00 64.34 59.17 1t3t n VAL 1158Cb 0.47 0.71 -0.07 0.00 -1.47 0.00 0.00 33.84 33.49 1t3t n VAL 1158CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1t3t n ARG 1159N -1.05 0.45 -1.66 7.34 3.00 -1.26 -1.30 116.66 122.17 1t3t n ARG 1159Ca -0.12 0.16 -0.39 0.00 -0.00 0.00 0.00 57.85 57.50 1t3t n ARG 1159Cb 0.63 -1.67 0.04 0.00 0.00 0.00 0.00 32.46 31.45 1t3t n ARG 1159CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1t3t n ASN 1160N 1.88 1.54 -0.07 6.15 3.02 -0.18 -4.56 115.26 123.04 1t3t n ASN 1160Ca 0.19 0.92 0.10 0.00 -0.03 0.00 0.00 54.58 55.76 1t3t n ASN 1160Cb 0.14 -1.44 0.48 0.00 -0.61 0.00 0.00 39.78 38.34 1t3t n ASN 1160CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 1t3t h HIS 1161N 1.09 0.47 0.00 3.10 -0.00 -1.34 0.16 115.15 118.63 1t3t h HIS 1161Ca -0.48 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 59.90 1t3t h HIS 1161Cb 1.34 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 28.59 1t3t h HIS 1161CO 0.42 0.24 -0.01 0.66 -0.00 0.00 0.00 177.93 179.24 1t3t h SER 1162N 0.46 0.00 -2.64 3.26 4.64 -1.85 -3.43 113.55 113.99 1t3t h SER 1162Ca 0.25 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.27 1t3t h SER 1162Cb 0.39 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1t3t h SER 1162CO -0.07 0.01 -0.41 -0.67 -0.87 0.00 0.00 176.83 174.82 1t3t n ASP 1163N -3.11 -4.67 -3.85 4.97 2.03 0.56 -1.61 116.55 110.86 1t3t n ASP 1163Ca -0.00 -0.09 -0.12 0.00 0.52 0.00 0.00 54.79 55.10 1t3t n ASP 1163Cb 0.26 -3.70 -0.10 0.00 -0.72 0.00 0.00 41.12 36.87 1t3t n ASP 1163CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1t3t s ARG 1164N -5.01 0.50 0.22 -0.67 6.06 -1.26 -4.89 118.95 113.90 1t3t s ARG 1164Ca 0.09 -0.32 -0.30 0.00 -2.50 0.00 0.00 55.73 52.70 1t3t s ARG 1164Cb -0.04 0.21 -0.10 0.00 0.06 0.00 0.00 34.95 35.09 1t3t s ARG 1164CO 0.11 -0.12 1.42 0.12 -2.50 0.00 0.00 175.30 174.33 1t3t s PHE 1165N -1.29 3.10 -0.23 5.12 5.36 -1.26 -4.72 117.98 124.06 1t3t s PHE 1165Ca -0.14 1.03 0.00 0.00 -0.96 0.00 0.00 56.93 56.86 1t3t s PHE 1165Cb -0.07 -3.77 0.03 0.00 -0.34 0.00 0.00 43.02 38.88 1t3t s PHE 1165CO 0.02 -2.53 -0.12 -1.21 -1.46 0.00 0.00 175.22 169.92 1t3t s GLU 1166N -0.04 2.76 -0.41 10.12 0.41 -0.18 -4.23 118.70 127.13 1t3t s GLU 1166Ca 0.60 -1.01 -0.04 0.00 -0.41 0.00 0.00 54.97 54.12 1t3t s GLU 1166Cb -0.40 -2.82 0.11 0.00 -1.78 0.00 0.00 34.13 29.23 1t3t s GLU 1166CO 0.40 -0.37 0.21 0.00 -0.49 0.00 0.00 175.26 175.01 1t3t s ALA 1167N 1.26 3.17 0.25 5.21 0.00 0.23 -1.79 121.76 130.09 1t3t s ALA 1167Ca -0.00 -2.50 0.03 0.00 0.00 0.00 0.00 51.96 49.49 1t3t s ALA 1167Cb -0.16 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.46 1t3t s ALA 1167CO -0.07 -1.79 0.02 1.03 0.00 0.00 0.00 175.76 174.95 1t3t s ARG 1168N 1.17 1.38 -0.59 0.00 1.81 0.16 -4.58 118.95 118.30 1t3t s ARG 1168Ca 0.07 -1.72 0.01 0.00 -1.72 0.00 0.00 55.73 52.37 1t3t s ARG 1168Cb -0.23 -0.57 0.15 0.00 -0.45 0.00 0.00 34.95 33.85 1t3t s ARG 1168CO -0.04 -0.14 0.37 0.12 -0.68 0.00 0.00 175.30 174.93 1t3t s PHE 1169N -3.47 3.31 0.25 -0.53 5.36 -1.26 -0.73 117.98 120.90 1t3t s PHE 1169Ca 0.31 -2.97 -0.06 0.00 -0.96 0.00 0.00 56.93 53.25 1t3t s PHE 1169Cb 0.06 -3.01 -0.06 0.00 -0.34 0.00 0.00 43.02 39.68 1t3t s PHE 1169CO 0.10 -0.78 0.52 -1.12 -1.46 0.00 0.00 175.22 172.48 1t3t s SER 1170N 0.12 6.50 -0.21 6.13 0.01 -0.63 -4.79 113.70 120.83 1t3t s SER 1170Ca 0.18 0.73 -0.15 0.00 1.31 0.00 0.00 55.95 58.01 1t3t s SER 1170Cb -0.22 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 1t3t s SER 1170CO -0.02 -0.12 0.38 -0.22 0.41 0.00 0.00 173.24 173.67 1t3t s LEU 1171N -3.20 4.15 0.28 2.44 2.96 -1.26 0.09 118.68 124.13 1t3t s LEU 1171Ca 0.44 0.48 0.06 0.00 -0.22 0.00 0.00 54.13 54.89 1t3t s LEU 1171Cb -0.11 -2.48 -0.06 0.00 0.50 0.00 0.00 46.19 44.04 1t3t s LEU 1171CO 0.27 -0.07 -0.05 0.68 -1.32 0.00 0.00 176.35 175.86 1t3t s VAL 1172N 1.30 1.60 -0.03 1.68 -7.23 -0.84 -1.69 120.40 115.20 1t3t s VAL 1172Ca 0.18 -2.12 0.03 0.00 -1.81 0.00 0.00 61.98 58.27 1t3t s VAL 1172Cb -0.15 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.33 1t3t s VAL 1172CO 0.08 -0.29 -0.12 -0.70 -0.31 0.00 0.00 175.10 173.76 1t3t s GLU 1173N -3.74 1.26 -0.17 4.82 2.12 0.08 -1.93 118.70 121.14 1t3t s GLU 1173Ca 0.30 -0.42 -0.26 0.00 0.36 0.00 0.00 54.97 54.95 1t3t s GLU 1173Cb 0.04 -1.14 -0.01 0.00 0.26 0.00 0.00 34.13 33.28 1t3t s GLU 1173CO 0.12 0.17 0.86 0.08 -0.54 0.00 0.00 175.26 175.94 1t3t s VAL 1174N 0.11 4.86 0.29 3.70 1.01 0.06 -1.80 120.40 128.63 1t3t s VAL 1174Ca -0.03 1.68 0.06 0.00 0.00 0.00 0.00 61.98 63.69 1t3t s VAL 1174Cb -0.09 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1t3t s VAL 1174CO 0.01 0.01 0.34 0.42 0.00 0.00 0.00 175.10 175.87 1t3t s THR 1175N 2.24 4.42 -0.03 3.92 -4.23 -0.46 -0.60 115.64 120.91 1t3t s THR 1175Ca 0.39 -1.17 -0.30 0.00 -1.18 0.00 0.00 61.69 59.43 1t3t s THR 1175Cb -0.16 -3.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 1t3t s THR 1175CO 0.12 -0.26 1.40 -1.58 -0.54 0.00 0.00 174.62 173.76 1t3t s GLN 1176N -4.00 4.27 0.29 3.99 2.00 -1.26 -4.68 119.66 120.27 1t3t s GLN 1176Ca 0.38 1.93 -0.18 0.00 -2.00 0.00 0.00 55.36 55.49 1t3t s GLN 1176Cb -0.08 -3.63 0.02 0.00 0.80 0.00 0.00 33.01 30.11 1t3t s GLN 1176CO 0.28 -0.61 0.67 -1.54 -0.50 0.00 0.00 175.29 173.59 1t3t s SER 1177N 2.01 -0.16 0.00 6.67 1.04 -1.26 -4.73 113.70 117.26 1t3t s SER 1177Ca 0.63 -0.76 0.17 0.00 0.48 0.00 0.00 55.95 56.47 1t3t s SER 1177Cb -0.30 0.71 0.82 0.00 0.10 0.00 0.00 66.02 67.35 1t3t s SER 1177CO 0.25 -1.34 1.52 -2.65 0.98 0.00 0.00 173.24 172.00 1t3t n PRO 1178N -0.45 0.16 -1.49 4.02 -0.02 -1.26 -4.87 135.00 131.08 1t3t n PRO 1178Ca -0.04 0.15 -0.55 0.00 -2.02 0.00 0.00 63.50 61.05 1t3t n PRO 1178Cb 0.60 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.50 1t3t n PRO 1178CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1t3t n SER 1179N -1.36 1.93 0.23 2.55 2.88 -1.26 -4.11 113.62 114.47 1t3t n SER 1179Ca 0.07 0.68 0.11 0.00 -1.33 0.00 0.00 58.87 58.39 1t3t n SER 1179Cb 0.16 -1.15 0.49 0.00 -0.75 0.00 0.00 64.21 62.96 1t3t n SER 1179CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1t3t h LEU 1180N 10.02 0.00 -0.16 2.46 4.07 -1.55 -3.03 115.31 127.12 1t3t h LEU 1180Ca -0.30 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.63 1t3t h LEU 1180Cb 1.34 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.08 1t3t h LEU 1180CO 1.02 0.21 -0.16 -0.07 -1.08 0.00 0.00 178.44 178.35 1t3t h LEU 1181N 0.00 0.00 -3.22 1.67 3.38 -1.89 -3.22 115.31 112.02 1t3t h LEU 1181Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1t3t h LEU 1181Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1t3t h LEU 1181CO 0.03 0.16 0.00 0.18 0.09 0.00 0.00 178.44 178.90 1t3t n LEU 1182N -3.15 4.76 -4.72 1.67 7.99 -1.15 -4.32 117.00 118.08 1t3t n LEU 1182Ca 0.03 -2.58 -0.43 0.00 -0.01 0.00 0.00 56.01 53.03 1t3t n LEU 1182Cb 0.57 -0.58 -0.02 0.00 -0.11 0.00 0.00 43.42 43.29 1t3t n LEU 1182CO 0.35 0.76 1.14 1.67 -1.51 0.00 0.00 177.39 179.80 1t3t n GLN 1183N 0.81 2.46 -0.24 3.23 7.27 -1.22 -1.85 117.38 127.85 1t3t n GLN 1183Ca 0.25 0.87 0.00 0.00 0.07 0.00 0.00 57.00 58.19 1t3t n GLN 1183Cb 0.93 -2.60 0.00 0.00 2.41 0.00 0.00 30.24 30.98 1t3t n GLN 1183CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1t3t n GLY 1184N 1.87 2.25 0.51 1.69 0.00 -1.26 -4.83 105.19 105.42 1t3t n GLY 1184Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1t3t n GLY 1184CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1t3t n MET 1185N -2.00 1.31 -1.70 1.61 2.81 -0.77 -4.29 117.12 114.09 1t3t n MET 1185Ca 0.00 -1.03 -0.44 0.00 -1.81 0.00 0.00 57.70 54.42 1t3t n MET 1185Cb 0.00 -1.46 -0.03 0.00 -0.71 0.00 0.00 33.22 31.02 1t3t n MET 1185CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1t3t n VAL 1186N 0.04 0.09 0.00 2.03 0.31 -1.25 -1.45 118.33 118.10 1t3t n VAL 1186Ca 0.09 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1t3t n VAL 1186Cb 0.47 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 1t3t n VAL 1186CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1t3t n GLY 1187N 3.86 1.04 3.77 2.92 0.00 0.23 -4.77 105.19 112.25 1t3t n GLY 1187Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1t3t n GLY 1187CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t3t s SER 1188N -1.97 6.57 -0.13 1.61 0.01 -0.53 -4.76 113.70 114.50 1t3t s SER 1188Ca 0.00 2.30 -0.01 0.00 1.31 0.00 0.00 55.95 59.55 1t3t s SER 1188Cb 0.00 -2.61 0.04 0.00 0.21 0.00 0.00 66.02 63.66 1t3t s SER 1188CO 0.00 -0.64 -0.02 -1.58 0.41 0.00 0.00 173.24 171.41 1t3t s GLN 1189N -2.30 1.01 0.13 12.44 0.74 0.15 -0.76 119.66 131.07 1t3t s GLN 1189Ca 0.57 -0.22 -0.18 0.00 0.05 0.00 0.00 55.36 55.58 1t3t s GLN 1189Cb -0.30 -1.57 0.05 0.00 1.10 0.00 0.00 33.01 32.29 1t3t s GLN 1189CO 0.37 -0.39 0.46 -1.64 -0.55 0.00 0.00 175.29 173.54 1t3t s MET 1190N 1.81 1.13 0.56 1.67 1.00 -0.81 -0.90 119.30 123.77 1t3t s MET 1190Ca 0.03 -0.62 -0.16 0.00 0.00 0.00 0.00 55.69 54.94 1t3t s MET 1190Cb -0.14 0.51 -0.05 0.00 0.00 0.00 0.00 34.83 35.14 1t3t s MET 1190CO -0.07 -0.46 1.02 -2.14 0.00 0.00 0.00 175.02 173.38 1t3t s PRO 1191N -3.75 3.60 0.05 2.03 0.02 -1.26 -1.99 135.00 133.71 1t3t s PRO 1191Ca 0.02 1.06 -0.12 0.00 0.02 0.00 0.00 61.00 61.98 1t3t s PRO 1191Cb 0.01 -2.08 0.01 0.00 0.02 0.00 0.00 34.50 32.46 1t3t s PRO 1191CO -0.12 -0.57 0.26 -1.50 -0.33 0.00 0.00 177.00 174.74 1t3t s ILE 1192N -2.60 0.09 0.01 2.83 2.07 0.11 -4.91 121.20 118.81 1t3t s ILE 1192Ca 0.61 -0.78 -0.30 0.00 -1.41 0.00 0.00 60.65 58.76 1t3t s ILE 1192Cb -0.13 -0.95 -0.05 0.00 0.13 0.00 0.00 42.46 41.45 1t3t s ILE 1192CO 0.36 -0.43 1.29 0.00 -1.91 0.00 0.00 174.94 174.25 1t3t s ALA 1193N -2.65 3.51 -0.10 1.50 0.00 -1.26 -1.61 121.76 121.14 1t3t s ALA 1193Ca -0.04 0.83 0.03 0.00 0.00 0.00 0.00 51.96 52.78 1t3t s ALA 1193Cb -0.01 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 1t3t s ALA 1193CO -0.04 -0.71 -0.22 0.08 0.00 0.00 0.00 175.76 174.87 1t3t s VAL 1194N 1.84 2.27 -0.43 0.00 1.01 0.09 -0.18 120.40 125.01 1t3t s VAL 1194Ca 0.60 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.70 1t3t s VAL 1194Cb -0.30 -1.88 0.18 0.00 0.00 0.00 0.00 36.38 34.38 1t3t s VAL 1194CO 0.26 0.55 0.59 -0.55 0.00 0.00 0.00 175.10 175.95 1t3t s SER 1195N 0.32 -0.84 0.10 3.32 0.15 -1.23 -0.67 113.70 114.85 1t3t s SER 1195Ca -0.17 -1.24 -0.25 0.00 0.70 0.00 0.00 55.95 54.99 1t3t s SER 1195Cb -0.17 1.57 0.08 0.00 -1.71 0.00 0.00 66.02 65.78 1t3t s SER 1195CO 0.08 -0.16 0.67 -1.38 1.20 0.00 0.00 173.24 173.65 1t3t s HIS 1196N 1.48 -0.51 -0.16 3.44 -3.43 -0.74 -4.99 115.29 110.39 1t3t s HIS 1196Ca 0.20 0.38 0.07 0.00 -0.80 0.00 0.00 55.06 54.91 1t3t s HIS 1196Cb -0.05 0.54 -0.09 0.00 -1.43 0.00 0.00 32.58 31.55 1t3t s HIS 1196CO -0.06 -0.76 0.21 0.41 -2.00 0.00 0.00 174.74 172.54 1t3t n GLY 1197N -0.22 0.05 2.51 -1.38 0.00 -1.26 -1.01 105.19 103.87 1t3t n GLY 1197Ca -0.16 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 1t3t n GLY 1197CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t3t n GLU 1198N -1.44 1.92 -0.06 1.61 1.02 -1.26 -1.01 120.64 121.42 1t3t n GLU 1198Ca -0.00 -3.98 0.07 0.00 -0.02 0.00 0.00 57.16 53.23 1t3t n GLU 1198Cb 0.14 -1.91 0.10 0.00 -0.02 0.00 0.00 31.44 29.74 1t3t n GLU 1198CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t3t n GLY 1199N 0.04 0.69 3.66 0.62 0.00 -1.10 -3.75 105.19 105.34 1t3t n GLY 1199Ca 0.27 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1t3t n GLY 1199CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1t3t s ARG 1200N -1.18 4.20 0.08 1.61 3.52 -0.42 -4.74 118.95 122.01 1t3t s ARG 1200Ca 0.21 2.00 -0.31 0.00 -0.13 0.00 0.00 55.73 57.50 1t3t s ARG 1200Cb 0.13 -3.91 -0.08 0.00 -1.56 0.00 0.00 34.95 29.53 1t3t s ARG 1200CO 0.19 -0.80 1.54 0.08 -0.81 0.00 0.00 175.30 175.50 1t3t s VAL 1201N 3.86 3.16 -0.08 7.11 1.01 -1.26 -0.65 120.40 133.54 1t3t s VAL 1201Ca 0.67 0.69 0.01 0.00 0.00 0.00 0.00 61.98 63.35 1t3t s VAL 1201Cb -0.29 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1t3t s VAL 1201CO 0.24 0.02 -0.08 -0.70 0.00 0.00 0.00 175.10 174.58 1t3t s GLU 1202N 2.04 1.35 0.34 2.72 2.12 0.66 -4.38 118.70 123.56 1t3t s GLU 1202Ca 0.69 -0.24 0.07 0.00 0.36 0.00 0.00 54.97 55.86 1t3t s GLU 1202Cb -0.38 -1.33 -0.02 0.00 0.26 0.00 0.00 34.13 32.66 1t3t s GLU 1202CO 0.30 -0.15 0.36 0.14 -0.54 0.00 0.00 175.26 175.38 1t3t s VAL 1203N 1.27 3.61 0.14 3.70 -7.23 -1.26 -1.09 120.40 119.54 1t3t s VAL 1203Ca -0.04 -1.24 -0.13 0.00 -1.81 0.00 0.00 61.98 58.76 1t3t s VAL 1203Cb -0.14 -3.23 0.01 0.00 0.56 0.00 0.00 36.38 33.58 1t3t s VAL 1203CO -0.03 -0.15 1.59 0.03 -0.31 0.00 0.00 175.10 176.24 1t3t h ARG 1204N 1.11 0.83 0.00 4.82 2.47 -1.95 -3.48 114.38 118.17 1t3t h ARG 1204Ca -0.45 -0.27 0.05 0.00 -1.26 0.00 0.00 59.98 58.06 1t3t h ARG 1204Cb 1.26 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.50 1t3t h ARG 1204CO 0.56 0.88 0.37 -0.40 0.56 0.00 0.00 179.97 181.95 1t3t n ASP 1205N -4.35 -1.78 0.24 7.04 3.85 -1.26 -5.02 116.55 115.27 1t3t n ASP 1205Ca 0.00 -2.11 0.11 0.00 -0.71 0.00 0.00 54.79 52.09 1t3t n ASP 1205Cb 0.31 2.93 0.60 0.00 -1.35 0.00 0.00 41.12 43.61 1t3t n ASP 1205CO 0.00 0.00 0.00 -0.78 -1.01 0.00 0.00 177.20 175.41 1t3t h ASP 1206N 1.72 0.00 -0.66 -1.12 1.82 -2.00 -2.39 116.42 113.80 1t3t h ASP 1206Ca -0.27 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.34 1t3t h ASP 1206Cb 1.06 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.04 1t3t h ASP 1206CO 0.35 0.18 0.29 0.00 -1.61 0.00 0.00 179.24 178.45 1t3t h ALA 1207N 1.82 1.23 -0.32 -0.78 0.00 -1.99 0.48 119.26 119.70 1t3t h ALA 1207Ca -0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1t3t h ALA 1207Cb 0.51 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1t3t h ALA 1207CO 0.02 0.57 -0.25 1.25 0.00 0.00 0.00 179.25 180.85 1t3t h HIS 1208N 0.98 0.87 -0.21 0.00 -0.00 -1.84 -1.57 115.15 113.38 1t3t h HIS 1208Ca 0.23 -0.24 -0.02 0.00 -0.00 0.00 0.00 60.37 60.34 1t3t h HIS 1208Cb 0.15 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 1t3t h HIS 1208CO 0.01 0.99 0.04 1.25 -0.00 0.00 0.00 177.93 180.21 1t3t h LEU 1209N 0.50 0.33 -0.88 0.26 5.85 -1.19 -1.44 115.31 118.74 1t3t h LEU 1209Ca 0.06 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1t3t h LEU 1209Cb 0.81 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 1t3t h LEU 1209CO 0.06 0.50 0.58 0.00 -0.34 0.00 0.00 178.44 179.24 1t3t h ALA 1210N 0.84 1.12 -0.01 1.25 0.00 -0.91 -1.34 119.26 120.21 1t3t h ALA 1210Ca 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1t3t h ALA 1210Cb 0.31 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1t3t h ALA 1210CO 0.00 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1t3t h ALA 1211N 1.33 0.02 -0.30 0.00 0.00 -1.16 -0.33 119.26 118.81 1t3t h ALA 1211Ca 0.33 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1t3t h ALA 1211Cb -0.10 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1t3t h ALA 1211CO -0.08 -0.39 0.00 1.25 0.00 0.00 0.00 179.25 180.03 1t3t h LEU 1212N -0.16 -0.11 -0.33 0.00 5.85 -1.00 -1.14 115.31 118.43 1t3t h LEU 1212Ca 0.00 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1t3t h LEU 1212Cb 0.18 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1t3t h LEU 1212CO -0.00 -0.02 0.13 -0.33 -0.34 0.00 0.00 178.44 177.88 1t3t h GLU 1213N 0.09 0.48 0.00 1.25 4.39 -1.18 -2.99 114.58 116.62 1t3t h GLU 1213Ca 0.14 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 1t3t h GLU 1213Cb 0.19 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1t3t h GLU 1213CO -0.24 0.48 -0.18 0.77 -1.16 0.00 0.00 179.01 178.68 1t3t h SER 1214N 0.38 0.00 1.27 1.42 0.02 -0.76 -1.79 113.55 114.09 1t3t h SER 1214Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1t3t h SER 1214Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1t3t h SER 1214CO -0.01 0.18 0.00 1.17 -1.14 0.00 0.00 176.83 177.03 1t3t n LYS 1215N -3.94 0.23 -2.21 3.45 3.00 -0.46 -4.93 118.16 113.30 1t3t n LYS 1215Ca -0.02 0.25 -0.06 0.00 -0.00 0.00 0.00 58.31 58.49 1t3t n LYS 1215Cb 0.27 -1.80 0.00 0.00 0.00 0.00 0.00 35.03 33.50 1t3t n LYS 1215CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1t3t n GLY 1216N 1.00 0.21 0.14 3.14 0.00 -0.67 -4.97 105.19 104.04 1t3t n GLY 1216Ca 0.05 -0.62 0.13 0.00 0.00 0.00 0.00 46.02 45.57 1t3t n GLY 1216CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t3t n LEU 1217N -0.93 0.78 -4.68 0.99 4.77 -1.20 -4.21 117.00 112.52 1t3t n LEU 1217Ca -0.05 -0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.36 1t3t n LEU 1217Cb 0.54 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1t3t n LEU 1217CO 0.09 0.16 1.01 -0.69 -1.33 0.00 0.00 177.39 176.63 1t3t s VAL 1218N -2.69 4.19 -0.10 4.08 1.01 -1.26 -1.12 120.40 124.50 1t3t s VAL 1218Ca 0.20 1.50 0.13 0.00 0.00 0.00 0.00 61.98 63.80 1t3t s VAL 1218Cb 0.19 -3.97 -0.18 0.00 0.00 0.00 0.00 36.38 32.42 1t3t s VAL 1218CO 0.58 -0.04 0.12 0.00 0.00 0.00 0.00 175.10 175.77 1t3t n ALA 1219N 5.62 1.90 -2.89 5.51 0.00 0.43 -4.45 120.51 126.62 1t3t n ALA 1219Ca 0.12 -0.76 -0.11 0.00 0.00 0.00 0.00 53.44 52.69 1t3t n ALA 1219Cb 0.45 -0.16 -0.13 0.00 0.00 0.00 0.00 19.45 19.61 1t3t n ALA 1219CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1t3t s LEU 1220N -4.74 2.07 0.00 0.00 1.43 -1.20 -1.35 118.68 114.89 1t3t s LEU 1220Ca -0.06 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1t3t s LEU 1220Cb 0.05 0.01 -0.00 0.00 0.03 0.00 0.00 46.19 46.28 1t3t s LEU 1220CO 0.57 -0.08 -0.02 -0.13 0.23 0.00 0.00 176.35 176.93 1t3t s ARG 1221N -0.40 0.18 0.28 1.70 0.52 -0.74 -1.39 118.95 119.08 1t3t s ARG 1221Ca -0.04 -0.14 -0.29 0.00 -0.52 0.00 0.00 55.73 54.73 1t3t s ARG 1221Cb -0.03 -0.13 -0.09 0.00 0.52 0.00 0.00 34.95 35.22 1t3t s ARG 1221CO -0.00 0.03 1.07 0.71 0.02 0.00 0.00 175.30 177.13 1t3t s TYR 1222N -0.23 3.63 0.08 -0.53 2.02 0.48 -0.74 117.35 122.07 1t3t s TYR 1222Ca -0.01 1.73 0.05 0.00 -0.37 0.00 0.00 57.07 58.47 1t3t s TYR 1222Cb -0.02 -3.23 -0.03 0.00 -0.40 0.00 0.00 41.96 38.28 1t3t s TYR 1222CO -0.00 -0.39 -0.13 0.14 -1.57 0.00 0.00 175.55 173.60 1t3t s VAL 1223N -1.18 1.08 0.95 0.71 -7.23 -0.68 -2.64 120.40 111.40 1t3t s VAL 1223Ca 0.44 -1.38 -0.16 0.00 -1.81 0.00 0.00 61.98 59.07 1t3t s VAL 1223Cb -0.31 -1.13 0.19 0.00 0.56 0.00 0.00 36.38 35.69 1t3t s VAL 1223CO 0.39 -0.30 1.30 1.51 -0.31 0.00 0.00 175.10 177.68 1t3t s ASP 1224N -1.91 3.21 0.62 4.85 1.47 -0.33 -4.46 116.67 120.12 1t3t s ASP 1224Ca -0.00 0.35 0.41 0.00 1.18 0.00 0.00 52.55 54.49 1t3t s ASP 1224Cb -0.08 -0.46 2.07 0.00 -0.34 0.00 0.00 42.92 44.10 1t3t s ASP 1224CO 0.02 -2.68 2.23 0.78 0.68 0.00 0.00 175.17 176.20 1t3t h ASN 1225N -1.61 0.00 0.87 2.11 2.35 -1.91 0.64 115.58 118.04 1t3t h ASN 1225Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1t3t h ASN 1225Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1t3t h ASN 1225CO 0.42 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.69 1t3t n PHE 1226N -3.04 0.00 -0.27 1.19 3.72 -1.26 -4.73 117.46 113.06 1t3t n PHE 1226Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1t3t n PHE 1226Cb 0.14 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.24 1t3t n PHE 1226CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1t3t n GLY 1227N 1.40 0.77 3.89 1.37 0.00 0.22 -5.08 105.19 107.76 1t3t n GLY 1227Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1t3t n GLY 1227CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t3t s LYS 1228N -0.73 3.39 0.25 1.61 -2.85 -1.26 -4.79 119.74 115.36 1t3t s LYS 1228Ca 0.00 -0.34 -0.31 0.00 -1.00 0.00 0.00 55.97 54.32 1t3t s LYS 1228Cb 0.00 -3.07 -0.13 0.00 -2.06 0.00 0.00 37.83 32.58 1t3t s LYS 1228CO 0.00 0.67 1.55 0.28 0.10 0.00 0.00 175.35 177.95 1t3t n VAL 1229N 0.99 0.72 -4.00 1.79 0.31 -1.26 -1.19 118.33 115.70 1t3t n VAL 1229Ca -0.11 -0.18 -0.08 0.00 -0.01 0.00 0.00 64.34 63.95 1t3t n VAL 1229Cb 0.53 -1.74 -0.10 0.00 -0.91 0.00 0.00 33.84 31.62 1t3t n VAL 1229CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1t3t s THR 1230N 0.26 0.17 0.00 2.52 -1.32 -1.08 -4.86 115.64 111.32 1t3t s THR 1230Ca 0.69 -1.37 0.00 0.00 -1.21 0.00 0.00 61.69 59.80 1t3t s THR 1230Cb -0.57 -1.10 0.00 0.00 -1.51 0.00 0.00 72.50 69.32 1t3t s THR 1230CO 0.45 -0.76 0.68 -0.62 -2.21 0.00 0.00 174.62 172.16 1t3t n GLU 1231N 0.54 0.42 -2.77 7.08 1.02 -1.26 -3.83 120.64 121.83 1t3t n GLU 1231Ca -0.17 -0.85 -0.39 0.00 -0.02 0.00 0.00 57.16 55.73 1t3t n GLU 1231Cb 0.59 -1.00 -0.06 0.00 -0.02 0.00 0.00 31.44 30.95 1t3t n GLU 1231CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1t3t s THR 1232N -0.35 4.14 0.11 2.62 2.01 -1.26 -4.73 115.64 118.17 1t3t s THR 1232Ca 0.00 1.97 -0.13 0.00 0.31 0.00 0.00 61.69 63.84 1t3t s THR 1232Cb 0.00 -4.20 -0.06 0.00 0.01 0.00 0.00 72.50 68.25 1t3t s THR 1232CO 0.00 0.36 0.49 -0.47 -0.69 0.00 0.00 174.62 174.31 1t3t s TYR 1233N -1.35 3.63 -2.39 4.92 5.04 -1.26 -1.28 117.35 124.66 1t3t s TYR 1233Ca 0.44 0.98 0.22 0.00 -2.44 0.00 0.00 57.07 56.28 1t3t s TYR 1233Cb -0.23 -2.30 0.64 0.00 0.35 0.00 0.00 41.96 40.41 1t3t s TYR 1233CO 0.29 0.49 1.50 -0.35 -1.34 0.00 0.00 175.55 176.13 1t3t n PRO 1234N 1.00 1.99 -0.28 4.97 -0.04 -1.26 -3.15 135.00 138.23 1t3t n PRO 1234Ca -0.07 -1.48 0.05 0.00 -0.04 0.00 0.00 63.50 61.95 1t3t n PRO 1234Cb 0.52 -1.44 0.14 0.00 -0.04 0.00 0.00 33.50 32.68 1t3t n PRO 1234CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t3t h ALA 1235N 4.24 0.69 -2.60 0.55 0.00 -1.89 -1.63 119.26 118.62 1t3t h ALA 1235Ca 0.00 0.29 -0.73 0.00 0.00 0.00 0.00 54.91 54.47 1t3t h ALA 1235Cb 0.66 0.53 -0.27 0.00 0.00 0.00 0.00 17.79 18.71 1t3t h ALA 1235CO 0.00 -0.43 -0.40 1.21 0.00 0.00 0.00 179.25 179.63 1t3t s ASN 1236N -5.20 5.79 0.52 0.00 3.84 -0.41 -4.57 114.94 114.92 1t3t s ASN 1236Ca -0.14 -1.59 0.30 0.00 0.21 0.00 0.00 52.86 51.64 1t3t s ASN 1236Cb 0.23 -2.05 1.34 0.00 -0.55 0.00 0.00 41.25 40.22 1t3t s ASN 1236CO 0.76 -0.62 1.99 1.55 -2.79 0.00 0.00 177.10 177.99 1t3t h PRO 1237N 8.52 0.00 0.00 0.43 0.13 -1.57 -3.35 132.00 136.16 1t3t h PRO 1237Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1t3t h PRO 1237Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1t3t h PRO 1237CO 0.83 0.10 -0.28 0.27 -0.23 0.00 0.00 178.00 178.69 1t3t n ASN 1238N -3.32 0.46 0.00 1.44 0.23 -1.26 -4.72 115.26 108.09 1t3t n ASN 1238Ca -0.00 -0.57 0.00 0.00 -0.53 0.00 0.00 54.58 53.48 1t3t n ASN 1238Cb 0.31 1.01 0.00 0.00 -2.08 0.00 0.00 39.78 39.02 1t3t n ASN 1238CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1t3t n GLY 1239N 1.18 0.79 3.70 4.83 0.00 -1.26 -0.93 105.19 113.50 1t3t n GLY 1239Ca 0.01 -0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 1t3t n GLY 1239CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t3t n SER 1240N 0.11 3.58 -4.72 1.61 7.64 -1.26 -4.85 113.62 115.73 1t3t n SER 1240Ca 0.00 1.07 -0.43 0.00 1.01 0.00 0.00 58.87 60.53 1t3t n SER 1240Cb 0.00 -1.51 -0.01 0.00 -1.01 0.00 0.00 64.21 61.68 1t3t n SER 1240CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1t3t n PRO 1241N 3.73 2.42 -1.94 1.43 -0.02 -1.26 -1.73 135.00 137.62 1t3t n PRO 1241Ca 0.16 0.86 -0.17 0.00 -2.02 0.00 0.00 63.50 62.33 1t3t n PRO 1241Cb 0.32 -2.56 -0.04 0.00 -0.02 0.00 0.00 33.50 31.20 1t3t n PRO 1241CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1t3t n ASN 1242N 1.63 -4.74 -0.24 2.55 3.02 -1.26 -1.93 115.26 114.29 1t3t n ASN 1242Ca 0.07 0.25 -0.03 0.00 -0.03 0.00 0.00 54.58 54.85 1t3t n ASN 1242Cb 0.36 -4.12 -0.01 0.00 -0.61 0.00 0.00 39.78 35.39 1t3t n ASN 1242CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t3t n GLY 1243N -0.61 0.35 3.68 7.41 0.00 -0.71 -4.75 105.19 110.57 1t3t n GLY 1243Ca -0.19 -0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.36 1t3t n GLY 1243CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1t3t n ILE 1244N -2.19 0.05 -1.26 -0.61 5.41 -0.81 -0.39 119.36 119.56 1t3t n ILE 1244Ca -0.03 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1t3t n ILE 1244Cb 0.46 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 1t3t n ILE 1244CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1t3t n THR 1245N 3.45 0.00 -3.63 1.39 -1.04 -0.49 -4.69 114.28 109.26 1t3t n THR 1245Ca 0.16 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.06 1t3t n THR 1245Cb 0.30 1.02 -0.07 0.00 -1.82 0.00 0.00 70.33 69.76 1t3t n THR 1245CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1t3t s ALA 1246N 0.00 -1.83 0.07 2.41 0.00 -1.21 -1.35 121.76 119.85 1t3t s ALA 1246Ca 0.00 2.18 0.01 0.00 0.00 0.00 0.00 51.96 54.15 1t3t s ALA 1246Cb 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 1t3t s ALA 1246CO 0.00 -0.35 -0.06 0.14 0.00 0.00 0.00 175.76 175.49 1t3t s VAL 1247N 0.87 0.53 0.35 0.00 -7.23 -0.38 -0.43 120.40 114.10 1t3t s VAL 1247Ca -0.04 -1.72 0.03 0.00 -1.81 0.00 0.00 61.98 58.44 1t3t s VAL 1247Cb -0.05 -1.41 -0.05 0.00 0.56 0.00 0.00 36.38 35.43 1t3t s VAL 1247CO -0.07 -0.81 0.08 0.28 -0.31 0.00 0.00 175.10 174.27 1t3t s THR 1248N -3.24 0.97 0.68 5.32 -1.32 -0.27 -1.38 115.64 116.39 1t3t s THR 1248Ca 0.06 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.49 1t3t s THR 1248Cb 0.03 -2.64 0.06 0.00 -1.51 0.00 0.00 72.50 68.44 1t3t s THR 1248CO -0.05 0.00 0.97 0.42 -2.21 0.00 0.00 174.62 173.75 1t3t s THR 1249N -3.31 2.34 0.30 5.08 -4.23 -0.76 -4.82 115.64 110.25 1t3t s THR 1249Ca 0.32 -0.37 0.03 0.00 -1.18 0.00 0.00 61.69 60.49 1t3t s THR 1249Cb 0.07 -2.97 0.29 0.00 1.34 0.00 0.00 72.50 71.23 1t3t s THR 1249CO 0.15 0.00 1.86 -0.33 -0.54 0.00 0.00 174.62 175.76 1t3t h GLU 1250N -0.49 0.92 -0.01 3.99 5.08 -1.77 -1.18 114.58 121.12 1t3t h GLU 1250Ca -0.43 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1t3t h GLU 1250Cb 1.31 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1t3t h GLU 1250CO 0.56 0.61 -0.05 0.27 -1.00 0.00 0.00 179.01 179.41 1t3t n ASN 1251N -4.58 0.86 0.00 1.42 2.04 -1.26 -4.84 115.26 108.91 1t3t n ASN 1251Ca 0.17 -1.13 0.00 0.00 -0.44 0.00 0.00 54.58 53.19 1t3t n ASN 1251Cb 0.34 -0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.59 1t3t n ASN 1251CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1t3t n GLY 1252N 1.17 0.24 0.08 4.83 0.00 -0.45 -4.85 105.19 106.21 1t3t n GLY 1252Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1t3t n GLY 1252CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t3t n ARG 1253N -0.93 0.24 -4.79 1.61 1.74 -1.26 -1.37 116.66 111.90 1t3t n ARG 1253Ca 0.00 0.15 -0.27 0.00 -0.77 0.00 0.00 57.85 56.96 1t3t n ARG 1253Cb 0.22 -1.73 -0.17 0.00 -1.02 0.00 0.00 32.46 29.76 1t3t n ARG 1253CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1t3t s VAL 1254N -3.11 1.42 -0.02 1.55 1.01 -1.26 -1.52 120.40 118.47 1t3t s VAL 1254Ca 0.09 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1t3t s VAL 1254Cb 0.13 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.28 1t3t s VAL 1254CO 0.64 0.42 -0.02 -0.89 0.00 0.00 0.00 175.10 175.24 1t3t s THR 1255N 0.44 0.26 -0.01 3.92 2.01 -0.75 -1.82 115.64 119.69 1t3t s THR 1255Ca -0.13 -0.02 0.06 0.00 0.31 0.00 0.00 61.69 61.91 1t3t s THR 1255Cb -0.15 -0.30 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 1t3t s THR 1255CO 0.05 0.13 -0.19 0.27 -0.69 0.00 0.00 174.62 174.19 1t3t s ILE 1256N 0.63 1.52 -0.00 1.82 -4.36 -0.48 -1.61 121.20 118.71 1t3t s ILE 1256Ca -0.07 -0.85 -0.11 0.00 -0.26 0.00 0.00 60.65 59.37 1t3t s ILE 1256Cb -0.10 -1.27 0.01 0.00 1.25 0.00 0.00 42.46 42.35 1t3t s ILE 1256CO -0.01 0.41 0.22 0.00 0.24 0.00 0.00 174.94 175.80 1t3t s MET 1257N -0.51 0.57 -0.01 0.37 0.23 -0.24 -1.24 119.30 118.47 1t3t s MET 1257Ca 0.07 -0.31 -0.16 0.00 -1.03 0.00 0.00 55.69 54.27 1t3t s MET 1257Cb -0.07 0.25 -0.33 0.00 -1.53 0.00 0.00 34.83 33.14 1t3t s MET 1257CO -0.01 -0.15 0.88 0.52 -2.03 0.00 0.00 175.02 174.23 1t3t h MET 1258N 4.08 0.46 -7.26 3.16 2.86 -1.52 -3.37 114.93 113.33 1t3t h MET 1258Ca -0.30 -0.78 -0.47 0.00 -2.06 0.00 0.00 59.70 56.09 1t3t h MET 1258Cb 1.19 0.29 0.18 0.00 0.06 0.00 0.00 31.60 33.31 1t3t h MET 1258CO 0.40 1.37 0.16 -2.14 1.06 0.00 0.00 176.91 177.76 1t3t s PRO 1259N -2.56 0.36 -0.63 -0.22 0.02 -1.26 -4.77 135.00 125.93 1t3t s PRO 1259Ca -0.12 0.92 -0.07 0.00 0.02 0.00 0.00 61.00 61.75 1t3t s PRO 1259Cb 0.04 -1.70 0.16 0.00 0.02 0.00 0.00 34.50 33.03 1t3t s PRO 1259CO 0.90 -2.88 0.49 -1.01 -0.33 0.00 0.00 177.00 174.16 1t3t s HIS 1260N -2.73 3.51 0.31 6.54 3.76 0.75 -4.93 115.29 122.51 1t3t s HIS 1260Ca 0.66 -2.35 0.02 0.00 -0.15 0.00 0.00 55.06 53.24 1t3t s HIS 1260Cb -0.21 -3.42 0.50 0.00 1.11 0.00 0.00 32.58 30.56 1t3t s HIS 1260CO 0.60 -0.92 1.84 -1.35 -0.85 0.00 0.00 174.74 174.06 1t3t h PRO 1261N 7.56 0.64 0.00 8.40 0.11 -1.94 -2.81 132.00 143.95 1t3t h PRO 1261Ca -0.03 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1t3t h PRO 1261Cb 1.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1t3t h PRO 1261CO 0.75 0.65 0.00 1.05 -0.21 0.00 0.00 178.00 180.24 1t3t h GLU 1262N 0.61 0.00 0.00 1.05 9.09 -1.91 -2.37 114.58 121.05 1t3t h GLU 1262Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.54 1t3t h GLU 1262Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.46 1t3t h GLU 1262CO 0.01 0.00 -0.67 0.00 0.05 0.00 0.00 179.01 178.40 1t3t h ARG 1263N 0.00 0.00 0.00 1.06 3.08 -1.84 -3.38 114.38 113.31 1t3t h ARG 1263Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1t3t h ARG 1263Cb 0.38 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.37 1t3t h ARG 1263CO 0.00 0.00 -0.42 1.33 -1.07 0.00 0.00 179.97 179.81 1t3t n VAL 1264N -2.14 1.23 0.27 2.04 0.24 -1.00 -4.55 118.33 114.42 1t3t n VAL 1264Ca 0.03 -1.80 0.16 0.00 -2.04 0.00 0.00 64.34 60.69 1t3t n VAL 1264Cb 0.45 0.13 0.66 0.00 -1.47 0.00 0.00 33.84 33.61 1t3t n VAL 1264CO 0.00 0.00 0.00 2.19 -2.14 0.00 0.00 176.83 176.88 1t3t h PHE 1265N 0.43 0.00 -3.19 6.34 -5.15 -1.61 -3.41 116.94 110.35 1t3t h PHE 1265Ca -0.04 0.00 -0.60 0.00 -0.20 0.00 0.00 57.97 57.13 1t3t h PHE 1265Cb 1.24 0.00 -0.10 0.00 0.22 0.00 0.00 35.95 37.31 1t3t h PHE 1265CO 0.25 0.04 -0.37 1.03 -2.00 0.00 0.00 178.31 177.25 1t3t s ARG 1266N -3.69 4.12 0.29 6.09 0.52 -1.26 -2.01 118.95 123.01 1t3t s ARG 1266Ca 0.01 0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.24 1t3t s ARG 1266Cb 0.09 -3.38 0.52 0.00 0.52 0.00 0.00 34.95 32.70 1t3t s ARG 1266CO 0.56 0.35 1.89 1.15 0.02 0.00 0.00 175.30 179.27 1t3t h THR 1267N 4.52 1.04 0.00 0.02 2.02 -1.20 -1.46 112.91 117.84 1t3t h THR 1267Ca -0.44 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1t3t h THR 1267Cb 1.17 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1t3t h THR 1267CO 0.73 0.19 0.00 -0.37 0.37 0.00 0.00 175.52 176.44 1t3t h VAL 1268N 1.05 0.00 -0.41 3.16 -1.51 -1.86 -1.21 116.25 115.47 1t3t h VAL 1268Ca 0.42 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.77 1t3t h VAL 1268Cb 0.27 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 1t3t h VAL 1268CO -0.18 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.16 1t3t n ALA 1269N -2.06 2.44 -2.60 5.19 0.00 -0.55 -4.18 120.51 118.75 1t3t n ALA 1269Ca -0.02 -0.78 -0.40 0.00 0.00 0.00 0.00 53.44 52.25 1t3t n ALA 1269Cb 0.13 -0.98 -0.09 0.00 0.00 0.00 0.00 19.45 18.51 1t3t n ALA 1269CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1t3t s ASN 1270N -1.14 6.29 0.31 0.00 0.01 -0.46 -4.74 114.94 115.22 1t3t s ASN 1270Ca 0.32 0.25 0.07 0.00 -0.71 0.00 0.00 52.86 52.79 1t3t s ASN 1270Cb 0.17 -2.23 0.87 0.00 0.41 0.00 0.00 41.25 40.47 1t3t s ASN 1270CO 0.23 -0.26 1.65 -1.28 -1.51 0.00 0.00 177.10 175.93 1t3t h SER 1271N 8.20 0.22 -4.11 -1.22 0.87 -1.87 -3.39 113.55 112.25 1t3t h SER 1271Ca -0.30 0.19 -0.20 0.00 -1.23 0.00 0.00 61.79 60.25 1t3t h SER 1271Cb 1.15 0.21 -0.25 0.00 -0.44 0.00 0.00 62.40 63.07 1t3t h SER 1271CO 0.68 -0.14 -0.64 0.86 -0.53 0.00 0.00 176.83 177.05 1t3t s TRP 1272N -5.82 0.01 0.02 2.24 -0.00 -1.26 -4.56 118.94 109.56 1t3t s TRP 1272Ca -0.11 0.00 -0.28 0.00 -0.00 0.00 0.00 56.10 55.71 1t3t s TRP 1272Cb 0.28 -0.02 0.08 0.00 -0.00 0.00 0.00 33.47 33.80 1t3t s TRP 1272CO 0.78 -0.09 0.69 -3.38 -0.00 0.00 0.00 176.95 174.95 1t3t s HIS 1273N -0.39 -0.57 0.45 5.86 -3.43 -1.26 -5.00 115.29 110.94 1t3t s HIS 1273Ca -0.05 0.74 -0.25 0.00 -0.80 0.00 0.00 55.06 54.71 1t3t s HIS 1273Cb -0.03 0.48 -0.09 0.00 -1.43 0.00 0.00 32.58 31.51 1t3t s HIS 1273CO 0.00 -0.67 1.30 -2.30 -2.00 0.00 0.00 174.74 171.07 1t3t n PRO 1274N 0.35 1.94 0.26 -0.38 -0.02 -1.26 -4.90 135.00 131.00 1t3t n PRO 1274Ca -0.17 0.69 0.10 0.00 -2.02 0.00 0.00 63.50 62.11 1t3t n PRO 1274Cb 0.60 -2.45 0.69 0.00 -0.02 0.00 0.00 33.50 32.33 1t3t n PRO 1274CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1t3t h GLU 1275N 2.02 0.00 0.00 -0.52 4.81 -2.04 -3.07 114.58 115.77 1t3t h GLU 1275Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1t3t h GLU 1275Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1t3t h GLU 1275CO 0.60 0.09 0.00 0.27 -0.73 0.00 0.00 179.01 179.24 1t3t n ASN 1276N -4.03 0.36 -4.75 1.04 6.94 -1.26 -4.90 115.26 108.65 1t3t n ASN 1276Ca -0.02 0.54 -0.38 0.00 -0.02 0.00 0.00 54.58 54.70 1t3t n ASN 1276Cb 0.18 -0.64 0.03 0.00 -2.36 0.00 0.00 39.78 37.00 1t3t n ASN 1276CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1t3t s TRP 1277N -3.07 2.38 0.00 -2.53 0.52 -1.16 -5.04 118.94 110.04 1t3t s TRP 1277Ca 0.11 1.41 0.00 0.00 0.02 0.00 0.00 56.10 57.64 1t3t s TRP 1277Cb 0.15 -3.71 0.00 0.00 -1.15 0.00 0.00 33.47 28.76 1t3t s TRP 1277CO 0.51 -2.62 0.00 0.41 0.02 0.00 0.00 176.95 175.27 1t3t n GLY 1278N 0.67 1.59 0.36 0.98 0.00 -1.26 -4.97 105.19 102.56 1t3t n GLY 1278Ca 0.10 -1.78 -0.04 0.00 0.00 0.00 0.00 46.02 44.31 1t3t n GLY 1278CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1t3t h GLU 1279N 0.00 1.25 -6.13 1.61 4.57 -1.98 -3.40 114.58 110.51 1t3t h GLU 1279Ca 0.00 -0.14 -0.57 0.00 -1.18 0.00 0.00 59.36 57.46 1t3t h GLU 1279Cb 0.00 -0.25 -0.05 0.00 -0.16 0.00 0.00 28.75 28.29 1t3t h GLU 1279CO 0.00 0.91 -0.05 -0.51 -1.18 0.00 0.00 179.01 178.18 1t3t s ASP 1280N -6.24 6.99 0.59 1.04 1.01 -1.26 -0.84 116.67 117.95 1t3t s ASP 1280Ca -0.13 1.17 0.04 0.00 0.71 0.00 0.00 52.55 54.35 1t3t s ASP 1280Cb 0.17 -2.35 0.08 0.00 1.01 0.00 0.00 42.92 41.83 1t3t s ASP 1280CO 0.83 0.19 0.81 -0.94 0.21 0.00 0.00 175.17 176.27 1t3t s SER 1281N -0.64 5.00 0.44 0.27 1.04 -0.85 -4.65 113.70 114.31 1t3t s SER 1281Ca 0.29 -0.46 0.11 0.00 0.48 0.00 0.00 55.95 56.37 1t3t s SER 1281Cb -0.18 -0.20 0.98 0.00 0.10 0.00 0.00 66.02 66.72 1t3t s SER 1281CO 0.17 -1.36 2.05 -0.65 0.98 0.00 0.00 173.24 174.43 1t3t h PRO 1282N 0.02 0.41 0.00 4.02 0.11 -1.88 -2.75 132.00 131.92 1t3t h PRO 1282Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1t3t h PRO 1282Cb 1.28 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1t3t h PRO 1282CO 0.44 0.27 0.00 -1.49 -0.21 0.00 0.00 178.00 177.00 1t3t h TRP 1283N 0.42 0.00 0.00 0.65 4.06 -1.88 -2.20 115.95 117.00 1t3t h TRP 1283Ca 0.17 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.10 1t3t h TRP 1283Cb 0.14 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1t3t h TRP 1283CO -0.00 0.00 -0.08 1.98 -3.56 0.00 0.00 178.44 176.78 1t3t h MET 1284N 0.00 0.00 -0.11 0.49 4.05 -1.70 -2.63 114.93 115.03 1t3t h MET 1284Ca 0.00 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1t3t h MET 1284Cb 0.16 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 1t3t h MET 1284CO 0.00 0.08 -0.05 -0.09 0.23 0.00 0.00 176.91 177.08 1t3t h ARG 1285N 0.00 0.16 -0.30 0.39 9.65 -1.61 -2.65 114.38 120.03 1t3t h ARG 1285Ca -0.00 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.87 1t3t h ARG 1285Cb 0.31 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 1t3t h ARG 1285CO 0.01 0.23 0.15 0.82 2.80 0.00 0.00 179.97 183.98 1t3t h ILE 1286N 0.16 0.99 -0.29 1.20 2.04 -1.66 -0.10 117.51 119.85 1t3t h ILE 1286Ca 0.04 -0.11 -0.13 0.00 1.00 0.00 0.00 64.86 65.67 1t3t h ILE 1286Cb 0.20 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1t3t h ILE 1286CO 0.01 0.06 -0.34 -0.26 0.00 0.00 0.00 178.15 177.62 1t3t h PHE 1287N 0.31 0.74 -0.12 1.37 0.04 -1.66 -2.22 116.94 115.40 1t3t h PHE 1287Ca 0.12 -0.20 -0.12 0.00 2.80 0.00 0.00 57.97 60.57 1t3t h PHE 1287Cb 0.04 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 1t3t h PHE 1287CO -0.10 0.89 -0.46 0.00 -0.60 0.00 0.00 178.31 178.04 1t3t h ARG 1288N 0.54 0.30 -0.71 1.51 3.08 -1.29 -2.19 114.38 115.61 1t3t h ARG 1288Ca 0.06 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 1t3t h ARG 1288Cb 0.84 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 1t3t h ARG 1288CO 0.07 0.71 0.20 -0.91 -1.07 0.00 0.00 179.97 178.97 1t3t h ASN 1289N 0.24 1.06 -0.65 7.04 2.35 -0.72 -1.36 115.58 123.54 1t3t h ASN 1289Ca 0.02 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1t3t h ASN 1289Cb 0.91 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.98 1t3t h ASN 1289CO 0.07 1.00 0.32 0.00 -1.65 0.00 0.00 177.43 177.18 1t3t h ALA 1290N 1.10 0.84 -0.27 -0.83 0.00 -0.95 -1.11 119.26 118.03 1t3t h ALA 1290Ca 0.23 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1t3t h ALA 1290Cb 0.33 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1t3t h ALA 1290CO -0.00 0.39 0.07 -0.09 0.00 0.00 0.00 179.25 179.62 1t3t h ARG 1291N 0.90 0.44 -0.60 0.00 9.65 -1.04 -2.61 114.38 121.11 1t3t h ARG 1291Ca 0.23 -0.10 -0.07 0.00 -1.10 0.00 0.00 59.98 58.93 1t3t h ARG 1291Cb 0.10 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.60 1t3t h ARG 1291CO -0.03 0.53 0.10 -0.22 2.80 0.00 0.00 179.97 183.15 1t3t h LYS 1292N 0.28 0.97 -0.84 0.20 3.64 -1.15 -2.47 116.57 117.19 1t3t h LYS 1292Ca 0.09 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 1t3t h LYS 1292Cb 0.28 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1t3t h LYS 1292CO 0.00 0.89 0.40 0.37 -2.27 0.00 0.00 179.45 178.84 1t3t h GLN 1293N 0.91 1.21 0.00 1.90 5.75 -1.11 -1.88 115.11 121.88 1t3t h GLN 1293Ca 0.19 -0.18 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1t3t h GLN 1293Cb 0.39 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 1t3t h GLN 1293CO 0.01 0.93 -0.21 -0.07 -2.65 0.00 0.00 178.83 176.84 1t3t h LEU 1294N 1.19 0.00 0.00 -2.39 3.38 -1.28 -3.52 115.31 112.70 1t3t h LEU 1294Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1t3t h LEU 1294Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1t3t h LEU 1294CO -0.04 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.31