#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8e s SER 2 N 0.00 4.15 -0.39 3.17 0.15 -1.26 -5.10 113.70 114.42 3i8e s SER 2 Ca 0.00 -2.03 -0.21 0.00 0.70 0.00 0.00 55.95 54.41 3i8e s SER 2 Cb 0.00 -1.12 0.01 0.00 -1.71 0.00 0.00 66.02 63.20 3i8e s SER 2 CO 0.00 -0.37 0.66 -0.31 1.20 0.00 0.00 173.24 174.42 3i8e s TYR 3 N 1.10 3.11 0.09 3.44 2.02 -1.26 -4.42 117.35 121.43 3i8e s TYR 3 Ca 0.12 0.23 0.06 0.00 -0.37 0.00 0.00 57.07 57.11 3i8e s TYR 3 Cb -0.20 -3.25 -0.03 0.00 -0.40 0.00 0.00 41.96 38.08 3i8e s TYR 3 CO -0.15 -0.73 -0.16 -0.80 -1.57 0.00 0.00 175.55 172.14 3i8e s ASN 4 N 1.88 2.02 -0.15 2.29 0.01 -0.57 0.11 114.94 120.54 3i8e s ASN 4 Ca 0.25 -0.67 -0.02 0.00 -0.71 0.00 0.00 52.86 51.71 3i8e s ASN 4 Cb -0.14 -0.08 0.05 0.00 0.41 0.00 0.00 41.25 41.48 3i8e s ASN 4 CO 0.17 -0.04 0.01 -0.47 -1.51 0.00 0.00 177.10 175.26 3i8e s TYR 5 N -1.37 1.00 -0.03 2.20 5.04 -0.24 0.92 117.35 124.86 3i8e s TYR 5 Ca 0.03 -0.65 -0.02 0.00 -2.44 0.00 0.00 57.07 53.99 3i8e s TYR 5 Cb -0.09 -0.99 -0.04 0.00 0.35 0.00 0.00 41.96 41.19 3i8e s TYR 5 CO 0.03 -0.51 0.08 0.14 -1.34 0.00 0.00 175.55 173.95 3i8e s VAL 6 N 1.87 4.82 0.00 3.14 -7.23 0.12 -1.27 120.40 121.84 3i8e s VAL 6 Ca 0.01 -0.28 0.01 0.00 -1.81 0.00 0.00 61.98 59.92 3i8e s VAL 6 Cb -0.15 -3.16 -0.00 0.00 0.56 0.00 0.00 36.38 33.62 3i8e s VAL 6 CO -0.07 0.43 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.43 3i8e s VAL 7 N -1.13 0.24 -0.70 1.32 1.01 0.06 -0.85 120.40 120.35 3i8e s VAL 7 Ca 0.20 -0.20 -0.26 0.00 0.00 0.00 0.00 61.98 61.73 3i8e s VAL 7 Cb -0.12 -0.22 0.04 0.00 0.00 0.00 0.00 36.38 36.08 3i8e s VAL 7 CO 0.11 0.02 1.19 -0.89 0.00 0.00 0.00 175.10 175.54 3i8e s THR 8 N -0.18 3.90 -0.78 3.92 2.01 -1.26 -0.71 115.64 122.53 3i8e s THR 8 Ca -0.00 0.32 0.25 0.00 0.31 0.00 0.00 61.69 62.56 3i8e s THR 8 Cb -0.02 -4.84 0.25 0.00 0.01 0.00 0.00 72.50 67.90 3i8e s THR 8 CO -0.00 -1.69 1.76 0.00 -0.69 0.00 0.00 174.62 174.00 3i8e n ALA 9 N 8.87 2.09 -3.47 7.40 0.00 -0.64 -4.78 120.51 129.98 3i8e n ALA 9 Ca 0.02 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3i8e n ALA 9 Cb 0.48 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 3i8e n ALA 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3i8e s GLN 10 N -3.11 0.33 0.58 0.00 2.00 -0.87 -4.95 119.66 113.65 3i8e s GLN 10 Ca 0.10 0.77 -0.19 0.00 -2.00 0.00 0.00 55.36 54.04 3i8e s GLN 10 Cb 0.13 0.40 -0.04 0.00 0.80 0.00 0.00 33.01 34.30 3i8e s GLN 10 CO 0.50 -0.10 1.20 0.15 -0.50 0.00 0.00 175.29 176.53 3i8e s LYS 11 N 2.27 3.05 0.14 1.67 1.02 -1.26 -1.56 119.74 125.08 3i8e s LYS 11 Ca -0.04 1.81 -0.33 0.00 0.02 0.00 0.00 55.97 57.43 3i8e s LYS 11 Cb -0.06 -1.96 -0.13 0.00 -0.52 0.00 0.00 37.83 35.16 3i8e s LYS 11 CO -0.17 -1.14 1.69 -2.30 -0.92 0.00 0.00 175.35 172.51 3i8e n PRO 12 N -1.50 2.42 0.00 -1.68 -0.02 -1.26 -4.39 135.00 128.57 3i8e n PRO 12 Ca 0.13 0.88 0.10 0.00 -2.02 0.00 0.00 63.50 62.59 3i8e n PRO 12 Cb 0.50 -2.69 -0.08 0.00 -0.02 0.00 0.00 33.50 31.20 3i8e n PRO 12 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i8e n THR 13 N 3.93 0.00 -2.47 3.45 -2.24 -0.43 -4.71 114.28 111.80 3i8e n THR 13 Ca 0.17 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 3i8e n THR 13 Cb 0.32 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.61 3i8e n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8e s ALA 14 N -2.80 3.44 -0.10 6.98 0.00 -0.04 -4.73 121.76 124.52 3i8e s ALA 14 Ca 0.11 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 3i8e s ALA 14 Cb 0.17 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 3i8e s ALA 14 CO 0.76 -0.65 1.07 0.08 0.00 0.00 0.00 175.76 177.03 3i8e s VAL 15 N 1.86 4.61 -0.37 0.00 1.01 -1.13 -4.21 120.40 122.17 3i8e s VAL 15 Ca 0.56 1.90 0.14 0.00 0.00 0.00 0.00 61.98 64.57 3i8e s VAL 15 Cb -0.25 -4.22 -0.18 0.00 0.00 0.00 0.00 36.38 31.73 3i8e s VAL 15 CO 0.24 -0.01 0.45 0.59 0.00 0.00 0.00 175.10 176.37 3i8e n ASN 16 N 5.17 1.15 -3.65 3.32 3.02 -0.91 -4.39 115.26 118.97 3i8e n ASN 16 Ca 0.10 -0.46 -0.01 0.00 -0.03 0.00 0.00 54.58 54.17 3i8e n ASN 16 Cb 0.48 1.27 -0.04 0.00 -0.61 0.00 0.00 39.78 40.88 3i8e n ASN 16 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3i8e s GLY 17 N -2.84 0.11 0.04 7.41 0.00 -1.16 -4.92 107.32 105.97 3i8e s GLY 17 Ca 0.01 2.89 -0.21 0.00 0.00 0.00 0.00 44.72 47.40 3i8e s GLY 17 CO 0.56 1.10 0.49 0.00 0.00 0.00 0.00 173.10 175.25 3i8e s VAL 19 N -2.42 0.08 0.30 0.00 0.11 -0.26 -4.78 120.40 113.43 3i8e s VAL 19 Ca -0.05 -0.65 0.10 0.00 -2.93 0.00 0.00 61.98 58.45 3i8e s VAL 19 Cb -0.01 -1.12 -0.05 0.00 -1.53 0.00 0.00 36.38 33.67 3i8e s VAL 19 CO -0.02 -0.36 -0.09 0.28 -3.33 0.00 0.00 175.10 171.58 3i8e s THR 20 N -3.39 2.76 -5.00 5.04 -1.32 -1.26 -0.03 115.64 112.44 3i8e s THR 20 Ca 0.01 -2.16 0.00 0.00 -1.21 0.00 0.00 61.69 58.33 3i8e s THR 20 Cb 0.01 -2.59 0.00 0.00 -1.51 0.00 0.00 72.50 68.41 3i8e s THR 20 CO -0.09 -0.33 0.00 0.61 -2.21 0.00 0.00 174.62 172.60 3i8e n GLY 21 N -0.79 -0.67 3.10 6.08 0.00 -1.08 -4.90 105.19 106.94 3i8e n GLY 21 Ca -0.05 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.06 3i8e n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i8e s HIS 22 N -2.23 3.63 -0.17 1.61 3.76 -1.26 0.15 115.29 120.78 3i8e s HIS 22 Ca 0.00 -2.84 0.11 0.00 -0.15 0.00 0.00 55.06 52.17 3i8e s HIS 22 Cb 0.00 -3.23 -0.18 0.00 1.11 0.00 0.00 32.58 30.29 3i8e s HIS 22 CO 0.00 -0.79 -0.01 0.34 -0.85 0.00 0.00 174.74 173.43 3i8e n PHE 23 N 2.95 0.00 -0.01 1.40 7.35 -1.26 -1.49 117.46 126.39 3i8e n PHE 23 Ca 0.14 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.79 3i8e n PHE 23 Cb 0.38 -0.77 -0.03 0.00 0.35 0.00 0.00 39.48 39.41 3i8e n PHE 23 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3i8e h THR 24 N 0.00 0.34 -3.55 -2.13 2.02 -1.88 -3.39 112.91 104.31 3i8e h THR 24 Ca -0.43 -1.16 -0.21 0.00 0.77 0.00 0.00 66.41 65.38 3i8e h THR 24 Cb 1.89 0.62 -0.27 0.00 -1.74 0.00 0.00 68.15 68.66 3i8e h THR 24 CO -0.00 0.11 -0.63 -0.44 0.37 0.00 0.00 175.52 174.93 3i8e s SER 25 N -5.56 -0.07 0.63 4.18 0.01 -1.26 -4.96 113.70 106.66 3i8e s SER 25 Ca -0.05 0.14 0.30 0.00 1.31 0.00 0.00 55.95 57.65 3i8e s SER 25 Cb -0.00 0.16 1.63 0.00 0.21 0.00 0.00 66.02 68.02 3i8e s SER 25 CO 0.17 -0.04 1.97 0.00 0.41 0.00 0.00 173.24 175.76 3i8e h ALA 26 N 5.97 1.67 -2.27 1.44 0.00 -1.89 0.23 119.26 124.41 3i8e h ALA 26 Ca -0.25 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.06 3i8e h ALA 26 Cb 1.20 0.01 -0.42 0.00 0.00 0.00 0.00 17.79 18.59 3i8e h ALA 26 CO 0.46 -0.42 -0.61 -0.85 0.00 0.00 0.00 179.25 177.82 3i8e n GLU 27 N -3.33 3.20 -3.74 0.00 -0.00 -1.26 -4.95 120.64 110.56 3i8e n GLU 27 Ca 0.02 -4.85 -0.14 0.00 -0.00 0.00 0.00 57.16 52.20 3i8e n GLU 27 Cb 0.44 -2.25 -0.09 0.00 -0.00 0.00 0.00 31.44 29.55 3i8e n GLU 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3i8e s ASP 28 N -3.34 -0.26 -0.16 -1.84 1.11 0.81 -5.16 116.67 107.84 3i8e s ASP 28 Ca 0.48 0.23 -0.04 0.00 0.18 0.00 0.00 52.55 53.39 3i8e s ASP 28 Cb 0.26 0.39 -0.03 0.00 1.07 0.00 0.00 42.92 44.62 3i8e s ASP 28 CO -0.12 -0.42 -0.02 -0.22 1.18 0.00 0.00 175.17 175.56 3i8e s LEU 29 N -1.11 3.32 -0.02 1.23 2.96 -1.26 -4.22 118.68 119.57 3i8e s LEU 29 Ca -0.12 -0.10 0.06 0.00 -0.22 0.00 0.00 54.13 53.75 3i8e s LEU 29 Cb -0.04 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 3i8e s LEU 29 CO 0.04 0.17 -0.20 0.20 -1.32 0.00 0.00 176.35 175.24 3i8e s ASN 30 N 0.36 3.54 -0.24 3.68 0.01 0.12 -1.61 114.94 120.80 3i8e s ASN 30 Ca -0.03 -0.36 -0.07 0.00 -0.71 0.00 0.00 52.86 51.69 3i8e s ASN 30 Cb -0.14 -0.58 -0.03 0.00 0.41 0.00 0.00 41.25 40.92 3i8e s ASN 30 CO 0.03 0.32 0.06 -0.22 -1.51 0.00 0.00 177.10 175.77 3i8e s LEU 31 N -0.77 3.40 -0.56 0.60 2.96 -0.77 -2.62 118.68 120.91 3i8e s LEU 31 Ca 0.11 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.77 3i8e s LEU 31 Cb -0.10 -1.90 0.15 0.00 0.50 0.00 0.00 46.19 44.83 3i8e s LEU 31 CO 0.00 -0.02 0.39 -0.76 -1.32 0.00 0.00 176.35 174.64 3i8e s LEU 32 N 1.51 5.42 -0.37 -0.68 1.02 0.96 -1.09 118.68 125.45 3i8e s LEU 32 Ca 0.06 -2.49 -0.14 0.00 0.02 0.00 0.00 54.13 51.57 3i8e s LEU 32 Cb -0.15 -1.89 -0.00 0.00 0.02 0.00 0.00 46.19 44.16 3i8e s LEU 32 CO 0.03 -0.48 0.31 -0.63 0.02 0.00 0.00 176.35 175.60 3i8e s ILE 33 N 0.47 5.23 -0.07 -0.59 1.01 -0.84 -1.10 121.20 125.32 3i8e s ILE 33 Ca 0.13 -0.29 -0.24 0.00 0.00 0.00 0.00 60.65 60.26 3i8e s ILE 33 Cb -0.21 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 3i8e s ILE 33 CO -0.04 -0.15 0.72 0.00 0.00 0.00 0.00 174.94 175.47 3i8e s ALA 34 N 1.82 3.34 0.00 9.38 0.00 0.18 -0.19 121.76 136.30 3i8e s ALA 34 Ca 0.08 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.17 3i8e s ALA 34 Cb -0.18 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3i8e s ALA 34 CO 0.11 -0.14 0.00 1.63 0.00 0.00 0.00 175.76 177.36 3i8e n LYS 35 N 3.88 1.81 0.01 0.00 4.76 -0.77 -2.15 118.16 125.71 3i8e n LYS 35 Ca -0.01 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.41 3i8e n LYS 35 Cb 0.51 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.69 3i8e n LYS 35 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 3i8e h ASN 36 N 0.00 -0.10 0.00 4.39 -1.24 -1.85 -3.38 115.58 113.41 3i8e h ASN 36 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 3i8e h ASN 36 Cb 0.00 0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.07 3i8e h ASN 36 CO 0.00 0.27 -1.15 0.35 -1.29 0.00 0.00 177.43 175.62 3i8e n THR 37 N -4.25 0.08 -1.55 -3.57 -2.24 -1.26 -1.66 114.28 99.83 3i8e n THR 37 Ca -0.01 -0.08 -0.30 0.00 -2.27 0.00 0.00 64.05 61.38 3i8e n THR 37 Cb 0.05 -0.16 0.08 0.00 -2.10 0.00 0.00 70.33 68.20 3i8e n THR 37 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i8e s ARG 38 N -2.14 2.30 -0.31 -0.78 1.81 -1.26 -0.82 118.95 117.75 3i8e s ARG 38 Ca -0.01 0.73 0.00 0.00 -1.72 0.00 0.00 55.73 54.74 3i8e s ARG 38 Cb 0.01 -1.93 0.14 0.00 -0.45 0.00 0.00 34.95 32.72 3i8e s ARG 38 CO 0.11 -1.49 0.30 -1.17 -0.68 0.00 0.00 175.30 172.37 3i8e s LEU 39 N -5.73 -0.10 0.20 2.53 2.96 0.14 -1.84 118.68 116.84 3i8e s LEU 39 Ca 0.60 -1.05 -0.30 0.00 -0.22 0.00 0.00 54.13 53.16 3i8e s LEU 39 Cb -0.14 0.44 -0.08 0.00 0.50 0.00 0.00 46.19 46.90 3i8e s LEU 39 CO 0.54 -0.36 1.12 -1.61 -1.32 0.00 0.00 176.35 174.73 3i8e s GLU 40 N 2.06 4.58 -0.19 1.98 2.02 0.73 -2.84 118.70 127.05 3i8e s GLU 40 Ca 0.12 1.77 0.01 0.00 0.02 0.00 0.00 54.97 56.88 3i8e s GLU 40 Cb -0.15 -3.25 0.03 0.00 0.10 0.00 0.00 34.13 30.85 3i8e s GLU 40 CO -0.24 0.07 -0.19 0.42 0.02 0.00 0.00 175.26 175.33 3i8e s ILE 41 N -0.36 2.06 0.25 -1.63 1.01 0.21 -1.98 121.20 120.75 3i8e s ILE 41 Ca 0.49 -1.02 0.11 0.00 0.00 0.00 0.00 60.65 60.23 3i8e s ILE 41 Cb -0.30 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 3i8e s ILE 41 CO 0.36 0.46 -0.19 -0.31 0.00 0.00 0.00 174.94 175.26 3i8e s TYR 42 N 1.27 2.15 -0.04 3.97 1.51 -0.25 -1.13 117.35 124.83 3i8e s TYR 42 Ca 0.03 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 55.76 3i8e s TYR 42 Cb -0.14 -0.96 -0.01 0.00 -0.11 0.00 0.00 41.96 40.74 3i8e s TYR 42 CO -0.12 0.60 -0.22 0.08 -1.11 0.00 0.00 175.55 174.78 3i8e s VAL 43 N -2.47 1.76 0.27 0.71 1.01 0.12 -1.85 120.40 119.95 3i8e s VAL 43 Ca 0.26 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 61.05 3i8e s VAL 43 Cb -0.05 -1.49 -0.09 0.00 0.00 0.00 0.00 36.38 34.76 3i8e s VAL 43 CO 0.12 0.50 0.92 -0.69 0.00 0.00 0.00 175.10 175.95 3i8e s VAL 44 N -0.22 4.18 0.36 2.92 1.01 -0.64 0.70 120.40 128.71 3i8e s VAL 44 Ca 0.00 1.91 0.04 0.00 0.00 0.00 0.00 61.98 63.93 3i8e s VAL 44 Cb -0.11 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 3i8e s VAL 44 CO 0.02 0.32 0.15 0.42 0.00 0.00 0.00 175.10 176.01 3i8e s THR 45 N -1.39 0.50 0.29 3.92 -4.23 0.48 -4.83 115.64 110.38 3i8e s THR 45 Ca 0.45 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 3i8e s THR 45 Cb -0.22 -2.46 0.28 0.00 1.34 0.00 0.00 72.50 71.44 3i8e s THR 45 CO 0.27 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 176.24 3i8e h ALA 46 N 2.01 1.50 -0.00 3.99 0.00 -2.02 -2.66 119.26 122.07 3i8e h ALA 46 Ca -0.34 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3i8e h ALA 46 Cb 1.26 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3i8e h ALA 46 CO 0.54 0.34 -0.01 1.49 0.00 0.00 0.00 179.25 181.61 3i8e h GLU 47 N 1.05 0.01 0.00 0.00 4.22 -2.01 -3.50 114.58 114.35 3i8e h GLU 47 Ca 0.42 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.86 3i8e h GLU 47 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3i8e h GLU 47 CO -0.18 0.55 0.00 0.41 -2.18 0.00 0.00 179.01 177.62 3i8e n GLY 48 N 0.38 -1.18 3.17 1.92 0.00 -1.00 -5.09 105.19 103.39 3i8e n GLY 48 Ca -0.09 0.45 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 3i8e n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8e s LEU 49 N 0.00 2.61 -0.41 0.99 1.02 -1.26 0.18 118.68 121.81 3i8e s LEU 49 Ca 0.00 -0.71 -0.21 0.00 0.02 0.00 0.00 54.13 53.23 3i8e s LEU 49 Cb 0.00 -1.57 0.02 0.00 0.02 0.00 0.00 46.19 44.65 3i8e s LEU 49 CO 0.00 -0.05 0.69 -0.60 0.02 0.00 0.00 176.35 176.42 3i8e s ARG 50 N 1.32 3.46 0.66 1.70 3.52 0.22 -4.92 118.95 124.90 3i8e s ARG 50 Ca 0.03 -0.12 -0.18 0.00 -0.13 0.00 0.00 55.73 55.33 3i8e s ARG 50 Cb -0.15 -3.90 -0.01 0.00 -1.56 0.00 0.00 34.95 29.34 3i8e s ARG 50 CO -0.09 -0.95 1.27 -2.14 -0.81 0.00 0.00 175.30 172.58 3i8e s PRO 51 N 2.95 2.52 0.00 5.12 0.02 -1.26 -0.70 135.00 143.65 3i8e s PRO 51 Ca 0.26 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.27 3i8e s PRO 51 Cb -0.14 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.53 3i8e s PRO 51 CO 0.19 -1.60 0.00 0.28 -0.33 0.00 0.00 177.00 175.54 3i8e n VAL 52 N -2.01 0.00 -3.63 3.83 0.31 -0.28 -4.83 118.33 111.73 3i8e n VAL 52 Ca 0.15 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.44 3i8e n VAL 52 Cb 0.49 -0.60 -0.06 0.00 -0.91 0.00 0.00 33.84 32.75 3i8e n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3i8e s LYS 53 N -1.86 0.55 -0.14 5.55 2.47 -1.08 -5.03 119.74 120.19 3i8e s LYS 53 Ca 0.00 1.00 0.01 0.00 -1.56 0.00 0.00 55.97 55.42 3i8e s LYS 53 Cb 0.00 0.19 0.02 0.00 -1.46 0.00 0.00 37.83 36.58 3i8e s LYS 53 CO 0.00 -0.12 -0.17 -2.00 0.16 0.00 0.00 175.35 173.22 3i8e s GLU 54 N 1.67 2.49 0.08 4.03 -6.30 -1.26 -0.62 118.70 118.80 3i8e s GLU 54 Ca -0.09 -0.65 0.05 0.00 -2.50 0.00 0.00 54.97 51.79 3i8e s GLU 54 Cb -0.05 -2.17 -0.03 0.00 0.00 0.00 0.00 34.13 31.88 3i8e s GLU 54 CO -0.18 -0.15 -0.13 0.14 0.02 0.00 0.00 175.26 174.96 3i8e s VAL 55 N 1.22 1.12 0.77 3.70 -7.23 -1.13 -4.98 120.40 113.87 3i8e s VAL 55 Ca 0.00 -1.42 -0.03 0.00 -1.81 0.00 0.00 61.98 58.72 3i8e s VAL 55 Cb -0.14 -1.18 0.15 0.00 0.56 0.00 0.00 36.38 35.77 3i8e s VAL 55 CO -0.07 -0.31 1.06 -0.83 -0.31 0.00 0.00 175.10 174.64 3i8e s GLY 56 N -1.96 1.76 0.22 2.32 0.00 -1.26 0.28 107.32 108.68 3i8e s GLY 56 Ca 0.01 -1.73 -0.06 0.00 0.00 0.00 0.00 44.72 42.94 3i8e s GLY 56 CO 0.02 -1.10 0.28 1.06 0.00 0.00 0.00 173.10 173.36 3i8e s MET 57 N -5.27 1.34 -1.07 2.90 -1.94 0.00 -4.84 119.30 110.43 3i8e s MET 57 Ca 0.68 -1.47 -0.05 0.00 -1.71 0.00 0.00 55.69 53.15 3i8e s MET 57 Cb -0.04 0.35 0.30 0.00 2.01 0.00 0.00 34.83 37.45 3i8e s MET 57 CO 0.46 -0.50 1.36 0.66 -0.01 0.00 0.00 175.02 176.99 3i8e n TYR 58 N -0.32 3.04 0.00 -0.03 4.01 -1.26 -4.88 117.16 117.72 3i8e n TYR 58 Ca 0.00 -2.98 0.00 0.00 -0.16 0.00 0.00 57.90 54.76 3i8e n TYR 58 Cb 0.64 -1.33 0.00 0.00 -0.31 0.00 0.00 39.34 38.35 3i8e n TYR 58 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i8e n GLY 59 N 1.62 3.18 3.67 2.72 0.00 -1.26 -4.79 105.19 110.33 3i8e n GLY 59 Ca 0.26 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 3i8e n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8e s LYS 60 N -2.16 4.26 0.30 1.61 1.02 -1.26 -4.26 119.74 119.25 3i8e s LYS 60 Ca 0.00 0.83 -0.29 0.00 0.02 0.00 0.00 55.97 56.53 3i8e s LYS 60 Cb 0.00 -3.57 -0.10 0.00 -0.52 0.00 0.00 37.83 33.64 3i8e s LYS 60 CO 0.00 -0.28 1.36 0.42 -0.92 0.00 0.00 175.35 175.93 3i8e s ILE 61 N 2.02 2.70 0.00 2.17 1.01 -0.67 -0.22 121.20 128.21 3i8e s ILE 61 Ca 0.34 0.65 0.00 0.00 0.00 0.00 0.00 60.65 61.64 3i8e s ILE 61 Cb -0.16 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 38.89 3i8e s ILE 61 CO 0.11 0.13 0.00 0.00 0.00 0.00 0.00 174.94 175.19 3i8e n ALA 62 N 1.40 1.13 -2.73 9.38 0.00 -0.92 -4.81 120.51 123.95 3i8e n ALA 62 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.21 3i8e n ALA 62 Cb 0.41 0.05 -0.16 0.00 0.00 0.00 0.00 19.45 19.76 3i8e n ALA 62 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i8e s VAL 63 N -1.13 1.43 -0.24 0.00 1.01 -1.16 -4.92 120.40 115.39 3i8e s VAL 63 Ca 0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 3i8e s VAL 63 Cb 0.00 -1.21 0.12 0.00 0.00 0.00 0.00 36.38 35.29 3i8e s VAL 63 CO 0.00 0.41 0.32 -0.32 0.00 0.00 0.00 175.10 175.51 3i8e s MET 64 N -0.15 0.30 0.02 2.72 0.00 -1.26 -1.95 119.30 118.99 3i8e s MET 64 Ca 0.01 0.31 0.05 0.00 0.00 0.00 0.00 55.69 56.05 3i8e s MET 64 Cb -0.10 -0.71 -0.02 0.00 0.00 0.00 0.00 34.83 34.01 3i8e s MET 64 CO 0.01 -0.73 -0.14 -1.21 0.00 0.00 0.00 175.02 172.95 3i8e s GLU 65 N 2.45 0.99 0.01 4.11 0.41 -0.60 -4.92 118.70 121.15 3i8e s GLU 65 Ca 0.10 -0.66 -0.07 0.00 -0.41 0.00 0.00 54.97 53.93 3i8e s GLU 65 Cb -0.15 -0.99 -0.05 0.00 -1.78 0.00 0.00 34.13 31.16 3i8e s GLU 65 CO -0.18 0.25 0.27 -0.51 -0.49 0.00 0.00 175.26 174.60 3i8e s LEU 66 N -0.85 4.37 0.02 1.80 1.43 -1.26 -0.64 118.68 123.54 3i8e s LEU 66 Ca 0.03 0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 53.47 3i8e s LEU 66 Cb -0.07 -2.66 0.05 0.00 0.03 0.00 0.00 46.19 43.54 3i8e s LEU 66 CO 0.01 0.26 0.52 0.72 0.23 0.00 0.00 176.35 178.09 3i8e s PHE 67 N -1.29 -0.44 -0.22 0.29 -0.12 -0.91 -5.00 117.98 110.29 3i8e s PHE 67 Ca 0.27 0.58 -0.04 0.00 -0.05 0.00 0.00 56.93 57.69 3i8e s PHE 67 Cb -0.13 0.32 0.09 0.00 -0.63 0.00 0.00 43.02 42.67 3i8e s PHE 67 CO 0.16 -0.60 0.19 0.50 -0.05 0.00 0.00 175.22 175.42 3i8e s ARG 68 N -2.03 0.18 0.97 1.99 3.52 -1.26 -0.60 118.95 121.73 3i8e s ARG 68 Ca -0.08 -0.03 -0.16 0.00 -0.13 0.00 0.00 55.73 55.33 3i8e s ARG 68 Cb -0.01 -1.25 0.20 0.00 -1.56 0.00 0.00 34.95 32.33 3i8e s ARG 68 CO 0.02 -0.78 1.29 -1.25 -0.81 0.00 0.00 175.30 173.77 3i8e s PRO 69 N 2.25 0.57 0.69 5.12 0.04 -1.26 -4.93 135.00 137.49 3i8e s PRO 69 Ca 0.07 -0.33 -0.17 0.00 0.04 0.00 0.00 61.00 60.61 3i8e s PRO 69 Cb -0.16 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.57 3i8e s PRO 69 CO -0.19 -2.47 1.27 0.15 0.04 0.00 0.00 177.00 175.80 3i8e s LYS 70 N -5.82 2.29 -0.80 4.56 -0.14 -1.26 -3.25 119.74 115.33 3i8e s LYS 70 Ca 0.73 1.99 0.00 0.00 -1.36 0.00 0.00 55.97 57.33 3i8e s LYS 70 Cb -0.05 -1.82 0.00 0.00 -1.68 0.00 0.00 37.83 34.28 3i8e s LYS 70 CO 0.53 -1.78 0.00 0.41 -0.76 0.00 0.00 175.35 173.75 3i8e n GLY 71 N 0.81 0.87 3.45 -3.33 0.00 -1.26 -5.01 105.19 100.72 3i8e n GLY 71 Ca 0.15 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 3i8e n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i8e s GLU 72 N -2.32 2.10 0.00 1.61 0.41 -1.20 -5.09 118.70 114.21 3i8e s GLU 72 Ca 0.00 -0.96 0.00 0.00 -0.41 0.00 0.00 54.97 53.60 3i8e s GLU 72 Cb 0.00 -2.19 0.00 0.00 -1.78 0.00 0.00 34.13 30.16 3i8e s GLU 72 CO 0.00 0.55 0.29 -1.13 -0.49 0.00 0.00 175.26 174.48 3i8e n SER 73 N 1.68 0.00 -4.81 -0.19 3.41 -1.26 -4.90 113.62 107.56 3i8e n SER 73 Ca -0.16 0.63 -0.24 0.00 -0.26 0.00 0.00 58.87 58.85 3i8e n SER 73 Cb 0.52 -0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 63.93 3i8e n SER 73 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3i8e s LYS 74 N -1.56 2.33 0.46 4.33 -2.85 -1.26 -4.86 119.74 116.33 3i8e s LYS 74 Ca 0.00 -1.77 -0.24 0.00 -1.00 0.00 0.00 55.97 52.97 3i8e s LYS 74 Cb 0.00 -2.12 -0.07 0.00 -2.06 0.00 0.00 37.83 33.57 3i8e s LYS 74 CO 0.00 -0.20 1.24 -0.51 0.10 0.00 0.00 175.35 175.98 3i8e s ASP 75 N -4.03 6.03 0.26 0.03 -0.00 -0.56 -4.87 116.67 113.55 3i8e s ASP 75 Ca 0.42 2.49 0.08 0.00 -0.00 0.00 0.00 52.55 55.54 3i8e s ASP 75 Cb 0.01 -2.62 -0.04 0.00 -0.00 0.00 0.00 42.92 40.27 3i8e s ASP 75 CO 0.24 -1.02 0.13 -0.76 -0.00 0.00 0.00 175.17 173.76 3i8e s LEU 76 N -2.95 3.58 -0.06 1.23 1.43 0.23 -4.55 118.68 117.60 3i8e s LEU 76 Ca 0.63 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 3i8e s LEU 76 Cb -0.34 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 3i8e s LEU 76 CO 0.41 -0.04 -0.01 -0.22 0.23 0.00 0.00 176.35 176.72 3i8e s LEU 77 N -3.79 3.49 -0.18 1.79 2.96 0.31 -2.14 118.68 121.12 3i8e s LEU 77 Ca 0.33 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.32 3i8e s LEU 77 Cb -0.07 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 44.79 3i8e s LEU 77 CO 0.23 0.35 -0.19 0.12 -1.32 0.00 0.00 176.35 175.55 3i8e s PHE 78 N -0.92 2.78 -0.01 5.38 5.36 0.18 0.23 117.98 130.99 3i8e s PHE 78 Ca 0.15 -1.53 0.08 0.00 -0.96 0.00 0.00 56.93 54.66 3i8e s PHE 78 Cb -0.11 -1.92 -0.02 0.00 -0.34 0.00 0.00 43.02 40.63 3i8e s PHE 78 CO 0.04 -0.75 -0.24 0.42 -1.46 0.00 0.00 175.22 173.23 3i8e s ILE 79 N 1.23 1.93 -0.25 3.12 -1.09 -0.26 -1.56 121.20 124.31 3i8e s ILE 79 Ca 0.03 -1.08 -0.01 0.00 -2.23 0.00 0.00 60.65 57.36 3i8e s ILE 79 Cb -0.14 -1.61 0.07 0.00 -1.58 0.00 0.00 42.46 39.21 3i8e s ILE 79 CO -0.10 0.51 0.02 -0.22 -1.23 0.00 0.00 174.94 173.92 3i8e s LEU 80 N -0.67 2.15 0.51 2.97 2.96 -0.82 -1.45 118.68 124.33 3i8e s LEU 80 Ca 0.10 -1.25 -0.23 0.00 -0.22 0.00 0.00 54.13 52.52 3i8e s LEU 80 Cb -0.09 -0.93 -0.06 0.00 0.50 0.00 0.00 46.19 45.60 3i8e s LEU 80 CO -0.00 -0.32 1.35 0.41 -1.32 0.00 0.00 176.35 176.47 3i8e n THR 81 N 4.82 3.38 0.31 3.68 -1.04 -0.01 -2.17 114.28 123.25 3i8e n THR 81 Ca -0.07 -0.50 0.19 0.00 -2.04 0.00 0.00 64.05 61.62 3i8e n THR 81 Cb 0.44 -1.68 0.98 0.00 -1.82 0.00 0.00 70.33 68.26 3i8e n THR 81 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i8e h ALA 82 N 1.71 1.30 -0.39 2.41 0.00 -0.91 0.31 119.26 123.68 3i8e h ALA 82 Ca -0.50 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 3i8e h ALA 82 Cb 1.30 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 3i8e h ALA 82 CO 0.58 -0.20 0.17 1.63 0.00 0.00 0.00 179.25 181.43 3i8e n LYS 83 N -3.14 2.21 -3.39 0.00 5.02 -1.26 -4.89 118.16 112.71 3i8e n LYS 83 Ca -0.02 -1.50 -0.17 0.00 -2.02 0.00 0.00 58.31 54.61 3i8e n LYS 83 Cb 0.25 -1.71 0.09 0.00 -0.02 0.00 0.00 35.03 33.64 3i8e n LYS 83 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i8e n TYR 84 N -0.02 -2.15 -3.34 2.13 4.02 0.11 -4.91 117.16 113.01 3i8e n TYR 84 Ca 0.22 0.91 -0.46 0.00 -0.01 0.00 0.00 57.90 58.57 3i8e n TYR 84 Cb 0.91 -4.99 -0.05 0.00 -0.02 0.00 0.00 39.34 35.19 3i8e n TYR 84 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3i8e s ASN 85 N -4.28 6.20 0.52 7.72 -0.87 -1.03 -1.34 114.94 121.87 3i8e s ASN 85 Ca 0.02 -1.90 -0.15 0.00 -1.57 0.00 0.00 52.86 49.26 3i8e s ASN 85 Cb -0.01 -2.19 -0.07 0.00 -0.02 0.00 0.00 41.25 38.96 3i8e s ASN 85 CO 0.71 -0.81 0.98 0.00 -2.57 0.00 0.00 177.10 175.40 3i8e s ALA 86 N 1.42 3.10 -0.27 0.60 0.00 -0.75 -0.83 121.76 125.02 3i8e s ALA 86 Ca 0.05 0.10 -0.28 0.00 0.00 0.00 0.00 51.96 51.83 3i8e s ALA 86 Cb -0.28 -3.08 0.18 0.00 0.00 0.00 0.00 23.12 19.94 3i8e s ALA 86 CO 0.01 -0.29 1.31 0.00 0.00 0.00 0.00 175.76 176.79 3i8e s ILE 88 N -0.65 3.66 0.30 0.00 1.01 -0.90 -1.10 121.20 123.51 3i8e s ILE 88 Ca 0.06 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.38 3i8e s ILE 88 Cb -0.02 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 3i8e s ILE 88 CO -0.09 0.44 0.19 -0.76 0.00 0.00 0.00 174.94 174.73 3i8e s LEU 89 N 1.02 3.55 -0.18 2.97 1.43 0.64 -0.13 118.68 127.97 3i8e s LEU 89 Ca 0.01 -0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 52.45 3i8e s LEU 89 Cb -0.15 -2.10 0.05 0.00 0.03 0.00 0.00 46.19 44.03 3i8e s LEU 89 CO 0.01 -0.20 0.48 -0.70 0.23 0.00 0.00 176.35 176.17 3i8e s GLU 90 N -3.88 0.56 -0.16 1.70 2.12 -1.12 -0.53 118.70 117.39 3i8e s GLU 90 Ca 0.36 0.67 -0.14 0.00 0.36 0.00 0.00 54.97 56.23 3i8e s GLU 90 Cb -0.06 0.27 -0.05 0.00 0.26 0.00 0.00 34.13 34.56 3i8e s GLU 90 CO 0.24 -0.07 0.31 -0.47 -0.54 0.00 0.00 175.26 174.73 3i8e s TYR 91 N 0.27 3.46 -0.15 5.30 5.04 -1.26 -0.26 117.35 129.75 3i8e s TYR 91 Ca -0.00 0.62 -0.04 0.00 -2.44 0.00 0.00 57.07 55.20 3i8e s TYR 91 Cb -0.03 -2.36 0.07 0.00 0.35 0.00 0.00 41.96 39.99 3i8e s TYR 91 CO 0.00 0.23 0.16 0.21 -1.34 0.00 0.00 175.55 174.81 3i8e s LYS 92 N 0.49 0.10 -0.13 4.97 2.20 0.82 -4.96 119.74 123.24 3i8e s LYS 92 Ca 0.17 0.22 -0.04 0.00 -0.36 0.00 0.00 55.97 55.97 3i8e s LYS 92 Cb -0.13 -1.11 -0.03 0.00 -1.51 0.00 0.00 37.83 35.04 3i8e s LYS 92 CO 0.04 -0.55 0.02 -1.14 -0.36 0.00 0.00 175.35 173.36 3i8e s GLN 93 N 2.26 3.41 -0.39 4.03 0.74 -1.26 -0.98 119.66 127.47 3i8e s GLN 93 Ca 0.04 -0.39 0.06 0.00 0.05 0.00 0.00 55.36 55.12 3i8e s GLN 93 Cb -0.15 -2.95 0.66 0.00 1.10 0.00 0.00 33.01 31.68 3i8e s GLN 93 CO -0.09 0.51 1.84 0.43 -0.55 0.00 0.00 175.29 177.42 3i8e n SER 94 N 2.76 4.06 0.00 6.67 7.64 -0.77 -4.93 113.62 129.06 3i8e n SER 94 Ca -0.18 -3.40 0.00 0.00 1.01 0.00 0.00 58.87 56.30 3i8e n SER 94 Cb 0.53 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 3i8e n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i8e n GLY 95 N -0.74 2.59 0.00 0.23 0.00 -1.26 -4.50 105.19 101.51 3i8e n GLY 95 Ca 0.51 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3i8e n GLY 95 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i8e n GLU 96 N 0.00 3.25 -3.56 1.61 0.00 -1.26 -5.00 120.64 115.68 3i8e n GLU 96 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.76 3i8e n GLU 96 Cb 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 31.44 30.79 3i8e n GLU 96 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 3i8e s SER 97 N -0.74 5.94 -0.12 -1.84 0.01 -1.26 -5.08 113.70 110.61 3i8e s SER 97 Ca 0.00 -0.47 -0.11 0.00 1.31 0.00 0.00 55.95 56.68 3i8e s SER 97 Cb 0.00 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 64.08 3i8e s SER 97 CO 0.00 -0.24 0.23 0.27 0.41 0.00 0.00 173.24 173.91 3i8e s ILE 98 N 1.69 5.35 -0.01 1.44 -0.00 -1.26 -1.84 121.20 126.57 3i8e s ILE 98 Ca 0.06 0.42 0.00 0.00 -0.00 0.00 0.00 60.65 61.13 3i8e s ILE 98 Cb -0.17 -3.54 0.01 0.00 -0.00 0.00 0.00 42.46 38.76 3i8e s ILE 98 CO 0.09 0.52 -0.00 -1.81 -0.00 0.00 0.00 174.94 173.74 3i8e s ASP 99 N -0.38 0.19 -0.23 4.36 1.01 -0.15 -5.02 116.67 116.45 3i8e s ASP 99 Ca 0.16 -0.01 -0.06 0.00 0.71 0.00 0.00 52.55 53.34 3i8e s ASP 99 Cb -0.13 -0.06 -0.03 0.00 1.01 0.00 0.00 42.92 43.71 3i8e s ASP 99 CO 0.05 -0.03 0.04 -0.63 0.21 0.00 0.00 175.17 174.81 3i8e s ILE 100 N 0.33 4.13 0.38 0.77 1.01 -1.26 -0.12 121.20 126.44 3i8e s ILE 100 Ca -0.03 -0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.46 3i8e s ILE 100 Cb -0.05 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.51 3i8e s ILE 100 CO -0.01 0.38 0.41 -0.51 0.00 0.00 0.00 174.94 175.22 3i8e s ILE 101 N 1.34 3.16 -0.40 2.92 2.07 0.64 -4.92 121.20 126.01 3i8e s ILE 101 Ca 0.05 -1.22 0.01 0.00 -1.41 0.00 0.00 60.65 58.08 3i8e s ILE 101 Cb -0.15 -3.10 0.11 0.00 0.13 0.00 0.00 42.46 39.45 3i8e s ILE 101 CO 0.02 -0.07 0.15 -0.89 -1.91 0.00 0.00 174.94 172.25 3i8e s THR 102 N -2.36 2.77 0.08 4.00 2.01 -1.26 -2.80 115.64 118.08 3i8e s THR 102 Ca 0.47 -2.38 0.10 0.00 0.31 0.00 0.00 61.69 60.20 3i8e s THR 102 Cb -0.06 -2.96 -0.10 0.00 0.01 0.00 0.00 72.50 69.39 3i8e s THR 102 CO 0.29 -0.67 1.40 0.03 -0.69 0.00 0.00 174.62 174.98 3i8e h ARG 103 N 7.62 0.00 -3.61 4.92 2.47 -0.86 -3.47 114.38 121.46 3i8e h ARG 103 Ca -0.07 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.58 3i8e h ARG 103 Cb 1.01 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.25 3i8e h ARG 103 CO 0.61 0.79 -0.07 0.00 0.56 0.00 0.00 179.97 181.86 3i8e s ALA 104 N -2.96 -0.25 0.00 0.04 0.00 -1.20 -4.86 121.76 112.53 3i8e s ALA 104 Ca 0.01 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.08 3i8e s ALA 104 Cb 0.10 1.04 0.00 0.00 0.00 0.00 0.00 23.12 24.26 3i8e s ALA 104 CO 0.79 -0.87 0.00 -2.39 0.00 0.00 0.00 175.76 173.28 3i8e n HIS 105 N -0.41 0.00 -3.94 0.00 1.44 -0.63 -2.13 115.22 109.55 3i8e n HIS 105 Ca -0.02 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.69 3i8e n HIS 105 Cb 0.61 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.74 3i8e n HIS 105 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3i8e n GLY 106 N -0.26 0.43 3.29 -1.39 0.00 -1.10 -3.88 105.19 102.28 3i8e n GLY 106 Ca 0.00 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 3i8e n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i8e s ASN 107 N -3.57 4.50 -0.42 1.61 3.84 -1.26 -1.81 114.94 117.84 3i8e s ASN 107 Ca 0.26 -0.57 0.05 0.00 0.21 0.00 0.00 52.86 52.81 3i8e s ASN 107 Cb -0.02 -1.76 0.66 0.00 -0.55 0.00 0.00 41.25 39.59 3i8e s ASN 107 CO 0.03 -0.08 1.85 1.33 -2.79 0.00 0.00 177.10 177.44 3i8e n VAL 108 N 4.79 3.10 -3.63 -5.21 0.24 -0.45 -4.97 118.33 112.19 3i8e n VAL 108 Ca -0.17 -1.98 -0.20 0.00 -2.04 0.00 0.00 64.34 59.95 3i8e n VAL 108 Cb 0.49 -0.44 -0.01 0.00 -1.47 0.00 0.00 33.84 32.41 3i8e n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i8e s GLN 109 N -3.26 3.25 0.12 7.34 -2.07 -1.26 -5.04 119.66 118.74 3i8e s GLN 109 Ca 0.55 -0.87 0.07 0.00 -1.82 0.00 0.00 55.36 53.30 3i8e s GLN 109 Cb 0.47 -2.83 -0.04 0.00 -1.09 0.00 0.00 33.01 29.52 3i8e s GLN 109 CO 0.10 0.19 -0.18 -0.51 -1.32 0.00 0.00 175.29 173.57 3i8e s ASP 110 N -4.10 2.36 0.24 12.60 1.11 -1.26 -5.05 116.67 122.57 3i8e s ASP 110 Ca 0.41 -0.74 -0.06 0.00 0.18 0.00 0.00 52.55 52.33 3i8e s ASP 110 Cb -0.09 -0.12 0.23 0.00 1.07 0.00 0.00 42.92 44.01 3i8e s ASP 110 CO 0.31 -0.02 1.83 0.03 1.18 0.00 0.00 175.17 178.50 3i8e h ARG 111 N 3.79 1.18 -6.77 8.23 -0.00 -2.04 -3.42 114.38 115.35 3i8e h ARG 111 Ca -0.43 -0.17 -0.49 0.00 -0.50 0.00 0.00 59.98 58.39 3i8e h ARG 111 Cb 1.19 -0.21 -0.02 0.00 0.00 0.00 0.00 29.97 30.92 3i8e h ARG 111 CO 0.45 0.91 0.21 0.42 0.00 0.00 0.00 179.97 181.95 3i8e s ILE 112 N -5.66 4.46 0.00 2.04 1.09 -1.26 -5.00 121.20 116.87 3i8e s ILE 112 Ca -0.12 1.40 0.00 0.00 -1.10 0.00 0.00 60.65 60.83 3i8e s ILE 112 Cb 0.16 -3.81 0.00 0.00 -1.06 0.00 0.00 42.46 37.75 3i8e s ILE 112 CO 0.83 0.03 0.00 0.61 -0.10 0.00 0.00 174.94 176.31 3i8e n GLY 113 N 0.24 2.55 3.71 6.18 0.00 -1.26 -5.04 105.19 111.57 3i8e n GLY 113 Ca 0.02 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 3i8e n GLY 113 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i8e s ARG 114 N -3.33 4.20 0.39 1.61 3.52 -1.26 -4.78 118.95 119.30 3i8e s ARG 114 Ca 0.00 2.38 -0.26 0.00 -0.13 0.00 0.00 55.73 57.72 3i8e s ARG 114 Cb 0.00 -3.25 -0.09 0.00 -1.56 0.00 0.00 34.95 30.06 3i8e s ARG 114 CO 0.00 -0.65 1.20 -1.25 -0.81 0.00 0.00 175.30 173.79 3i8e s PRO 115 N 1.47 4.10 0.58 5.12 0.04 -1.26 0.42 135.00 145.47 3i8e s PRO 115 Ca 0.71 1.92 0.09 0.00 0.04 0.00 0.00 61.00 63.76 3i8e s PRO 115 Cb -0.43 -2.75 0.10 0.00 0.04 0.00 0.00 34.50 31.45 3i8e s PRO 115 CO 0.32 -0.31 0.80 -1.13 0.04 0.00 0.00 177.00 176.72 3i8e n SER 116 N 0.21 2.00 -4.74 6.66 3.41 -1.26 -4.78 113.62 115.12 3i8e n SER 116 Ca 0.04 -2.47 -0.39 0.00 -0.26 0.00 0.00 58.87 55.79 3i8e n SER 116 Cb 0.45 -0.43 0.04 0.00 -0.26 0.00 0.00 64.21 64.01 3i8e n SER 116 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3i8e n GLU 117 N -2.28 1.68 -0.04 4.33 4.07 -1.26 -2.31 120.64 124.83 3i8e n GLU 117 Ca 0.16 0.62 0.00 0.00 -0.06 0.00 0.00 57.16 57.88 3i8e n GLU 117 Cb 0.59 -2.56 0.00 0.00 -0.06 0.00 0.00 31.44 29.41 3i8e n GLU 117 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 3i8e n THR 118 N -1.03 0.00 -4.63 6.31 -1.04 -1.26 -4.84 114.28 107.79 3i8e n THR 118 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3i8e n THR 118 Cb 0.44 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 3i8e n THR 118 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i8e n GLY 119 N -2.00 1.26 3.73 3.41 0.00 -0.98 -4.81 105.19 105.80 3i8e n GLY 119 Ca 0.00 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 3i8e n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8e s ILE 120 N 0.00 2.99 -0.18 -0.61 1.01 -1.26 -4.74 121.20 118.42 3i8e s ILE 120 Ca 0.00 0.76 0.01 0.00 0.00 0.00 0.00 60.65 61.42 3i8e s ILE 120 Cb 0.00 -3.49 0.03 0.00 0.01 0.00 0.00 42.46 39.01 3i8e s ILE 120 CO 0.00 0.09 -0.14 -0.63 0.00 0.00 0.00 174.94 174.26 3i8e s ILE 121 N 0.59 1.74 -0.07 2.92 1.01 -0.95 -5.00 121.20 121.44 3i8e s ILE 121 Ca 0.62 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 60.42 3i8e s ILE 121 Cb -0.39 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 3i8e s ILE 121 CO 0.36 0.37 -0.08 -0.83 0.00 0.00 0.00 174.94 174.75 3i8e s GLY 122 N 1.39 1.66 -0.11 6.18 0.00 -1.26 0.52 107.32 115.71 3i8e s GLY 122 Ca 0.02 -0.90 -0.11 0.00 0.00 0.00 0.00 44.72 43.73 3i8e s GLY 122 CO -0.10 -0.62 0.31 -0.26 0.00 0.00 0.00 173.10 172.42 3i8e s ILE 123 N -0.66 0.01 -0.12 0.90 -4.36 0.19 -4.99 121.20 112.16 3i8e s ILE 123 Ca 0.10 -0.05 -0.03 0.00 -0.26 0.00 0.00 60.65 60.41 3i8e s ILE 123 Cb -0.11 -0.45 -0.03 0.00 1.25 0.00 0.00 42.46 43.12 3i8e s ILE 123 CO 0.02 -0.03 -0.01 -0.63 0.24 0.00 0.00 174.94 174.53 3i8e s ILE 124 N 0.02 4.18 0.46 8.37 1.01 -1.26 0.12 121.20 134.09 3i8e s ILE 124 Ca -0.01 -0.28 -0.24 0.00 0.00 0.00 0.00 60.65 60.13 3i8e s ILE 124 Cb -0.02 -2.80 -0.07 0.00 0.01 0.00 0.00 42.46 39.58 3i8e s ILE 124 CO 0.01 0.55 1.21 -0.62 0.00 0.00 0.00 174.94 176.09 3i8e s ASP 125 N -0.27 6.11 0.46 3.58 2.15 -1.23 -4.74 116.67 122.73 3i8e s ASP 125 Ca 0.06 2.43 0.18 0.00 0.43 0.00 0.00 52.55 55.65 3i8e s ASP 125 Cb -0.12 -2.61 1.15 0.00 -0.30 0.00 0.00 42.92 41.03 3i8e s ASP 125 CO 0.02 -0.97 1.96 1.55 -0.17 0.00 0.00 175.17 177.56 3i8e h PRO 126 N 2.14 0.28 -0.00 4.34 0.13 -1.90 -0.48 132.00 136.51 3i8e h PRO 126 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3i8e h PRO 126 Cb 1.25 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3i8e h PRO 126 CO 0.60 0.19 -0.08 0.39 -0.23 0.00 0.00 178.00 178.87 3i8e n GLU 127 N -4.45 0.85 -1.91 0.86 1.02 -1.26 -4.92 120.64 110.84 3i8e n GLU 127 Ca 0.12 -0.30 -0.16 0.00 -0.02 0.00 0.00 57.16 56.80 3i8e n GLU 127 Cb 0.50 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.39 3i8e n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i8e h ARG 129 N 0.00 0.00 0.00 0.00 2.47 -1.89 -3.43 114.38 111.53 3i8e h ARG 129 Ca -0.35 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.40 3i8e h ARG 129 Cb 1.16 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.48 3i8e h ARG 129 CO 0.46 0.12 0.34 0.00 0.56 0.00 0.00 179.97 181.44 3i8e n MET 130 N -3.19 0.84 -3.87 0.04 0.00 -1.26 -1.80 117.12 107.88 3i8e n MET 130 Ca 0.01 -1.71 -0.24 0.00 0.00 0.00 0.00 57.70 55.76 3i8e n MET 130 Cb 0.44 2.19 -0.17 0.00 0.00 0.00 0.00 33.22 35.68 3i8e n MET 130 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3i8e s ILE 131 N -2.18 0.64 -0.13 3.17 1.01 -0.41 -3.50 121.20 119.78 3i8e s ILE 131 Ca 0.16 -0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.68 3i8e s ILE 131 Cb -0.04 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 3i8e s ILE 131 CO 0.08 0.30 0.13 -0.83 0.00 0.00 0.00 174.94 174.62 3i8e s GLY 132 N 1.76 2.12 -0.03 6.18 0.00 0.32 -0.07 107.32 117.60 3i8e s GLY 132 Ca 0.03 -0.66 0.01 0.00 0.00 0.00 0.00 44.72 44.11 3i8e s GLY 132 CO -0.06 -0.29 -0.05 1.08 0.00 0.00 0.00 173.10 173.79 3i8e s LEU 133 N -0.75 1.52 -0.89 0.66 1.02 0.25 0.54 118.68 121.03 3i8e s LEU 133 Ca 0.13 -0.13 -0.02 0.00 0.02 0.00 0.00 54.13 54.13 3i8e s LEU 133 Cb -0.12 -0.43 0.22 0.00 0.02 0.00 0.00 46.19 45.88 3i8e s LEU 133 CO 0.03 -0.02 0.77 -0.60 0.02 0.00 0.00 176.35 176.56 3i8e s ARG 134 N 0.62 3.28 -0.03 1.70 3.00 0.19 -0.41 118.95 127.29 3i8e s ARG 134 Ca -0.08 -3.21 -0.22 0.00 -1.00 0.00 0.00 55.73 51.22 3i8e s ARG 134 Cb -0.12 -3.98 -0.25 0.00 0.00 0.00 0.00 34.95 30.60 3i8e s ARG 134 CO 0.00 -1.26 1.02 -0.07 0.00 0.00 0.00 175.30 174.99 3i8e h LEU 135 N 6.15 0.39 -9.41 -0.88 -0.00 -1.84 -2.52 115.31 107.20 3i8e h LEU 135 Ca 0.15 -0.82 -0.59 0.00 -0.00 0.00 0.00 57.88 56.61 3i8e h LEU 135 Cb 0.83 -0.12 -0.12 0.00 -0.00 0.00 0.00 40.66 41.25 3i8e h LEU 135 CO 0.85 1.16 -0.69 -0.31 -0.00 0.00 0.00 178.44 179.45 3i8e s TYR 136 N -2.97 2.63 -0.41 1.13 1.51 -1.26 -4.20 117.35 113.77 3i8e s TYR 136 Ca -0.14 -0.23 -0.29 0.00 -1.01 0.00 0.00 57.07 55.39 3i8e s TYR 136 Cb 0.02 -1.22 0.02 0.00 -0.11 0.00 0.00 41.96 40.67 3i8e s TYR 136 CO 0.79 0.58 1.11 0.34 -1.11 0.00 0.00 175.55 177.26 3i8e s ASP 137 N -3.26 6.76 0.00 2.29 2.15 0.17 -3.57 116.67 121.21 3i8e s ASP 137 Ca 0.28 0.71 0.00 0.00 0.43 0.00 0.00 52.55 53.97 3i8e s ASP 137 Cb -0.07 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 3i8e s ASP 137 CO 0.17 -1.10 0.00 0.61 -0.17 0.00 0.00 175.17 174.69 3i8e n GLY 138 N 4.44 2.24 3.50 2.66 0.00 -1.26 -4.56 105.19 112.20 3i8e n GLY 138 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 3i8e n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8e s LEU 139 N 0.00 2.69 -0.12 0.99 1.43 -1.23 -1.23 118.68 121.21 3i8e s LEU 139 Ca 0.00 -0.90 0.02 0.00 -1.03 0.00 0.00 54.13 52.22 3i8e s LEU 139 Cb 0.00 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 44.97 3i8e s LEU 139 CO 0.00 0.05 -0.19 0.12 0.23 0.00 0.00 176.35 176.56 3i8e s PHE 140 N -2.26 2.33 -0.08 0.29 5.36 -0.48 -4.49 117.98 118.65 3i8e s PHE 140 Ca 0.28 -1.10 -0.16 0.00 -0.96 0.00 0.00 56.93 54.99 3i8e s PHE 140 Cb -0.06 -1.61 -0.05 0.00 -0.34 0.00 0.00 43.02 40.96 3i8e s PHE 140 CO 0.15 -0.51 0.41 0.21 -1.46 0.00 0.00 175.22 174.02 3i8e s LYS 141 N 0.79 4.16 -0.11 10.12 2.47 0.45 -0.96 119.74 136.66 3i8e s LYS 141 Ca -0.09 0.36 0.02 0.00 -1.56 0.00 0.00 55.97 54.70 3i8e s LYS 141 Cb -0.16 -3.35 -0.01 0.00 -1.46 0.00 0.00 37.83 32.85 3i8e s LYS 141 CO 0.00 0.37 -0.19 0.08 0.16 0.00 0.00 175.35 175.77 3i8e s VAL 142 N -0.04 2.46 -0.59 4.02 1.01 -0.03 -0.58 120.40 126.64 3i8e s VAL 142 Ca 0.23 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 3i8e s VAL 142 Cb -0.15 -1.98 0.15 0.00 0.00 0.00 0.00 36.38 34.40 3i8e s VAL 142 CO 0.10 0.54 0.45 -0.63 0.00 0.00 0.00 175.10 175.56 3i8e s ILE 143 N 0.37 4.17 -0.25 2.22 1.01 0.89 -2.12 121.20 127.49 3i8e s ILE 143 Ca -0.15 -2.43 -0.28 0.00 0.00 0.00 0.00 60.65 57.79 3i8e s ILE 143 Cb -0.17 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3i8e s ILE 143 CO 0.07 -0.86 2.08 -2.84 0.00 0.00 0.00 174.94 173.39 3i8e s PRO 144 N 0.53 3.21 -0.42 2.79 0.02 -1.26 -1.29 135.00 138.58 3i8e s PRO 144 Ca 0.13 1.84 -0.29 0.00 0.02 0.00 0.00 61.00 62.70 3i8e s PRO 144 Cb -0.20 -4.31 0.01 0.00 0.02 0.00 0.00 34.50 30.02 3i8e s PRO 144 CO -0.04 -2.01 1.36 -0.51 -0.33 0.00 0.00 177.00 175.47 3i8e s LEU 145 N 7.79 3.61 0.48 -5.54 1.43 -0.74 -4.94 118.68 120.77 3i8e s LEU 145 Ca 0.94 0.79 0.02 0.00 -1.03 0.00 0.00 54.13 54.84 3i8e s LEU 145 Cb -0.30 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.37 3i8e s LEU 145 CO 0.35 -1.38 0.08 -1.81 0.23 0.00 0.00 176.35 173.81 3i8e s ASP 146 N 3.61 3.55 0.17 2.29 -0.00 -1.26 -4.73 116.67 120.29 3i8e s ASP 146 Ca 0.59 -1.73 0.07 0.00 -0.00 0.00 0.00 52.55 51.48 3i8e s ASP 146 Cb -0.13 0.66 -0.03 0.00 -0.00 0.00 0.00 42.92 43.42 3i8e s ASP 146 CO 0.32 -0.96 1.38 -0.09 -0.00 0.00 0.00 175.17 175.81 3i8e h ARG 147 N 1.49 0.04 0.00 8.23 1.12 -2.02 -3.44 114.38 119.80 3i8e h ARG 147 Ca -0.39 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.44 3i8e h ARG 147 Cb 1.30 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.28 3i8e h ARG 147 CO 0.63 0.90 0.00 -0.25 -3.11 0.00 0.00 179.97 178.14 3i8e n ASP 148 N -3.52 0.00 -4.22 -3.80 9.92 -1.26 -4.74 116.55 108.92 3i8e n ASP 148 Ca -0.01 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 53.92 3i8e n ASP 148 Cb 0.84 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 41.27 3i8e n ASP 148 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3i8e n ASN 149 N 0.00 -1.27 0.04 -2.24 5.15 -1.26 -4.79 115.26 110.89 3i8e n ASN 149 Ca 0.00 -1.11 0.10 0.00 -0.60 0.00 0.00 54.58 52.98 3i8e n ASN 149 Cb 0.00 -2.40 0.44 0.00 -0.53 0.00 0.00 39.78 37.29 3i8e n ASN 149 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3i8e n LYS 150 N -4.39 0.07 -0.26 1.20 5.02 -1.26 -1.98 118.16 116.56 3i8e n LYS 150 Ca -0.12 0.22 0.08 0.00 -2.02 0.00 0.00 58.31 56.46 3i8e n LYS 150 Cb 0.59 -1.61 0.18 0.00 -0.02 0.00 0.00 35.03 34.18 3i8e n LYS 150 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i8e n GLU 151 N -1.73 2.48 -4.16 1.97 1.02 -1.25 -1.60 120.64 117.38 3i8e n GLU 151 Ca 0.04 -2.51 -0.33 0.00 -0.02 0.00 0.00 57.16 54.34 3i8e n GLU 151 Cb 0.25 -1.58 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 3i8e n GLU 151 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i8e n LEU 152 N -0.59 -1.81 -4.56 -4.62 4.77 -0.84 -4.28 117.00 105.07 3i8e n LEU 152 Ca 0.16 -1.02 -0.50 0.00 -0.03 0.00 0.00 56.01 54.62 3i8e n LEU 152 Cb 0.69 -2.10 -0.04 0.00 -2.33 0.00 0.00 43.42 39.63 3i8e n LEU 152 CO 0.09 0.34 0.67 0.29 -1.33 0.00 0.00 177.39 177.45 3i8e n LYS 153 N -4.40 1.01 -4.02 3.23 4.76 -1.26 -4.93 118.16 112.55 3i8e n LYS 153 Ca -0.05 0.36 -0.17 0.00 -2.87 0.00 0.00 58.31 55.58 3i8e n LYS 153 Cb 0.55 -1.83 -0.16 0.00 -1.84 0.00 0.00 35.03 31.75 3i8e n LYS 153 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i8e s ALA 154 N -0.21 0.41 0.12 7.82 0.00 -1.26 -4.28 121.76 124.36 3i8e s ALA 154 Ca 0.74 0.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.76 3i8e s ALA 154 Cb -0.89 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 3i8e s ALA 154 CO 0.53 -0.03 0.30 -0.59 0.00 0.00 0.00 175.76 175.96 3i8e s PHE 155 N 0.84 3.50 0.07 0.00 -0.12 -0.90 -4.90 117.98 116.47 3i8e s PHE 155 Ca -0.09 0.32 0.02 0.00 -0.05 0.00 0.00 56.93 57.13 3i8e s PHE 155 Cb -0.12 -1.82 -0.04 0.00 -0.63 0.00 0.00 43.02 40.40 3i8e s PHE 155 CO -0.01 0.50 0.13 -0.80 -0.05 0.00 0.00 175.22 174.99 3i8e s ASN 156 N -2.72 5.84 0.01 1.98 0.01 -1.26 -0.85 114.94 117.95 3i8e s ASN 156 Ca 0.37 0.09 0.07 0.00 -0.71 0.00 0.00 52.86 52.68 3i8e s ASN 156 Cb -0.12 -1.66 -0.02 0.00 0.41 0.00 0.00 41.25 39.86 3i8e s ASN 156 CO 0.27 0.17 -0.21 -0.63 -1.51 0.00 0.00 177.10 175.19 3i8e s ILE 157 N -1.44 1.69 0.36 0.60 1.01 -0.13 -4.97 121.20 118.32 3i8e s ILE 157 Ca 0.31 -1.06 -0.27 0.00 0.00 0.00 0.00 60.65 59.64 3i8e s ILE 157 Cb -0.12 -1.44 -0.09 0.00 0.01 0.00 0.00 42.46 40.82 3i8e s ILE 157 CO 0.24 0.35 1.19 -0.60 0.00 0.00 0.00 174.94 176.12 3i8e s ARG 158 N -0.84 4.24 -0.13 2.79 3.52 -1.26 -1.38 118.95 125.90 3i8e s ARG 158 Ca 0.08 1.93 0.01 0.00 -0.13 0.00 0.00 55.73 57.62 3i8e s ARG 158 Cb -0.09 -2.87 -0.01 0.00 -1.56 0.00 0.00 34.95 30.42 3i8e s ARG 158 CO 0.00 -0.19 -0.16 -1.17 -0.81 0.00 0.00 175.30 172.98 3i8e s LEU 159 N -2.12 2.55 0.52 -0.88 0.20 -0.36 -4.84 118.68 113.74 3i8e s LEU 159 Ca 0.53 -0.40 0.30 0.00 0.69 0.00 0.00 54.13 55.25 3i8e s LEU 159 Cb -0.33 -1.56 1.33 0.00 -0.43 0.00 0.00 46.19 45.20 3i8e s LEU 159 CO 0.43 0.15 1.99 -0.08 -0.29 0.00 0.00 176.35 178.55 3i8e h GLU 160 N 6.77 0.00 -4.91 1.98 4.57 -1.97 -3.42 114.58 117.60 3i8e h GLU 160 Ca -0.25 0.00 -0.66 0.00 -1.18 0.00 0.00 59.36 57.27 3i8e h GLU 160 Cb 1.22 0.00 -0.25 0.00 -0.16 0.00 0.00 28.75 29.55 3i8e h GLU 160 CO 0.54 0.10 -0.66 -1.21 -1.18 0.00 0.00 179.01 176.60 3i8e s GLU 161 N -3.82 3.37 -0.82 1.92 8.01 -1.26 -5.02 118.70 121.08 3i8e s GLU 161 Ca -0.00 -0.66 0.00 0.00 0.01 0.00 0.00 54.97 54.32 3i8e s GLU 161 Cb 0.11 -3.24 0.35 0.00 -4.31 0.00 0.00 34.13 27.03 3i8e s GLU 161 CO 0.57 -0.28 1.67 1.28 0.01 0.00 0.00 175.26 178.51 3i8e n LEU 162 N 4.86 6.64 -2.69 1.80 4.77 -1.26 -4.63 117.00 126.50 3i8e n LEU 162 Ca -0.16 -5.23 -0.02 0.00 -0.03 0.00 0.00 56.01 50.57 3i8e n LEU 162 Cb 0.50 -0.95 0.03 0.00 -2.33 0.00 0.00 43.42 40.67 3i8e n LEU 162 CO 0.30 2.03 0.50 -2.28 -1.33 0.00 0.00 177.39 176.61 3i8e s HIS 163 N -4.02 -0.24 0.05 -1.77 2.46 -1.26 -4.85 115.29 105.66 3i8e s HIS 163 Ca 0.46 -0.04 -0.03 0.00 0.47 0.00 0.00 55.06 55.92 3i8e s HIS 163 Cb 0.31 0.05 -0.04 0.00 -0.13 0.00 0.00 32.58 32.77 3i8e s HIS 163 CO -0.24 -0.18 0.25 0.08 -2.47 0.00 0.00 174.74 172.18 3i8e s VAL 164 N 1.30 5.34 -0.15 0.89 1.01 -1.26 -1.20 120.40 126.32 3i8e s VAL 164 Ca 0.20 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 3i8e s VAL 164 Cb 0.10 -3.60 -0.08 0.00 0.00 0.00 0.00 36.38 32.81 3i8e s VAL 164 CO -0.12 0.21 -0.17 -0.38 0.00 0.00 0.00 175.10 174.63 3i8e n ILE 165 N 0.56 0.84 -3.66 2.22 -0.00 0.49 -4.85 119.36 114.97 3i8e n ILE 165 Ca -0.07 -0.25 -0.15 0.00 -0.00 0.00 0.00 62.75 62.28 3i8e n ILE 165 Cb 0.52 -1.46 -0.08 0.00 -0.00 0.00 0.00 39.64 38.62 3i8e n ILE 165 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 3i8e s ASP 166 N -6.04 -0.41 -0.01 4.38 -1.08 -1.25 -4.91 116.67 107.35 3i8e s ASP 166 Ca -0.21 0.43 -0.00 0.00 -0.52 0.00 0.00 52.55 52.25 3i8e s ASP 166 Cb 0.07 0.48 0.01 0.00 -1.46 0.00 0.00 42.92 42.02 3i8e s ASP 166 CO 0.29 -0.49 0.02 -0.69 0.52 0.00 0.00 175.17 174.83 3i8e s VAL 167 N -1.11 -0.02 0.29 1.11 1.01 -1.26 -2.45 120.40 117.97 3i8e s VAL 167 Ca -0.11 0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3i8e s VAL 167 Cb -0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 36.38 36.25 3i8e s VAL 167 CO 0.06 0.03 0.08 -0.54 0.00 0.00 0.00 175.10 174.74 3i8e s LYS 168 N 0.42 1.53 0.06 2.72 -0.14 -0.41 -4.94 119.74 118.99 3i8e s LYS 168 Ca -0.03 -1.84 -0.02 0.00 -1.36 0.00 0.00 55.97 52.72 3i8e s LYS 168 Cb -0.05 -0.51 -0.04 0.00 -1.68 0.00 0.00 37.83 35.55 3i8e s LYS 168 CO -0.01 -0.26 0.24 -0.06 -0.76 0.00 0.00 175.35 174.50 3i8e s PHE 169 N -3.55 3.52 -0.12 3.18 0.40 -1.26 -0.65 117.98 119.50 3i8e s PHE 169 Ca 0.37 0.35 -0.04 0.00 -0.60 0.00 0.00 56.93 57.01 3i8e s PHE 169 Cb 0.08 -1.83 -0.04 0.00 0.51 0.00 0.00 43.02 41.74 3i8e s PHE 169 CO 0.15 0.57 0.03 -0.51 0.70 0.00 0.00 175.22 176.15 3i8e s LEU 170 N -2.42 3.71 0.51 -0.37 1.43 -0.63 -4.75 118.68 116.17 3i8e s LEU 170 Ca 0.35 0.15 -0.20 0.00 -1.03 0.00 0.00 54.13 53.40 3i8e s LEU 170 Cb -0.13 -1.88 -0.07 0.00 0.03 0.00 0.00 46.19 44.14 3i8e s LEU 170 CO 0.25 0.32 1.06 -0.31 0.23 0.00 0.00 176.35 177.91 3i8e s TYR 171 N -0.52 2.91 -0.67 0.29 1.51 -1.26 -4.11 117.35 115.50 3i8e s TYR 171 Ca 0.10 1.56 0.00 0.00 -1.01 0.00 0.00 57.07 57.72 3i8e s TYR 171 Cb -0.12 -3.12 0.00 0.00 -0.11 0.00 0.00 41.96 38.62 3i8e s TYR 171 CO 0.02 -1.05 0.00 0.41 -1.11 0.00 0.00 175.55 173.82 3i8e n GLY 172 N -0.23 0.54 3.62 0.71 0.00 -1.26 -4.62 105.19 103.95 3i8e n GLY 172 Ca 0.10 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 3i8e n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8e h GLN 174 N 5.80 -0.07 0.00 0.00 1.08 -1.95 -3.42 115.11 116.55 3i8e h GLN 174 Ca -0.43 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 56.39 3i8e h GLN 174 Cb 1.19 0.02 0.15 0.00 -0.05 0.00 0.00 27.48 28.79 3i8e h GLN 174 CO 0.59 -0.05 0.37 0.00 -0.95 0.00 0.00 178.83 178.79 3i8e n ALA 175 N -2.84 -1.34 -2.19 3.87 0.00 -1.26 -5.00 120.51 111.75 3i8e n ALA 175 Ca -0.01 -1.53 -0.42 0.00 0.00 0.00 0.00 53.44 51.49 3i8e n ALA 175 Cb 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3i8e n ALA 175 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3i8e s PRO 176 N -5.55 4.32 -0.06 0.00 0.02 -1.26 -4.91 135.00 127.55 3i8e s PRO 176 Ca 0.66 2.05 0.02 0.00 0.02 0.00 0.00 61.00 63.75 3i8e s PRO 176 Cb -0.02 -3.30 0.01 0.00 0.02 0.00 0.00 34.50 31.21 3i8e s PRO 176 CO 0.46 -0.45 -0.11 0.99 -0.33 0.00 0.00 177.00 177.56 3i8e s THR 177 N 1.30 1.07 0.35 0.99 2.01 -1.26 0.13 115.64 120.22 3i8e s THR 177 Ca 0.64 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.21 3i8e s THR 177 Cb -0.36 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 3i8e s THR 177 CO 0.30 0.34 0.55 0.27 -0.69 0.00 0.00 174.62 175.39 3i8e s ILE 178 N 0.70 5.10 -0.07 1.82 -4.36 -0.60 -1.61 121.20 122.18 3i8e s ILE 178 Ca -0.14 -0.45 -0.03 0.00 -0.26 0.00 0.00 60.65 59.76 3i8e s ILE 178 Cb -0.16 -3.86 0.04 0.00 1.25 0.00 0.00 42.46 39.73 3i8e s ILE 178 CO 0.03 -0.56 0.16 0.00 0.24 0.00 0.00 174.94 174.81 3i8e s PHE 180 N 1.30 -0.06 -0.32 0.00 -0.12 -1.02 -1.29 117.98 116.47 3i8e s PHE 180 Ca -0.08 -0.14 -0.09 0.00 -0.05 0.00 0.00 56.93 56.57 3i8e s PHE 180 Cb -0.11 0.07 0.01 0.00 -0.63 0.00 0.00 43.02 42.36 3i8e s PHE 180 CO -0.06 -0.52 0.14 0.08 -0.05 0.00 0.00 175.22 174.81 3i8e s VAL 181 N -2.83 4.33 0.50 -2.49 1.01 -1.02 -2.46 120.40 117.44 3i8e s VAL 181 Ca -0.03 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.36 3i8e s VAL 181 Cb 0.00 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.12 3i8e s VAL 181 CO -0.05 -0.01 0.40 -0.72 0.00 0.00 0.00 175.10 174.71 3i8e s TYR 182 N 1.55 1.96 0.11 5.22 -0.85 -0.85 -0.38 117.35 124.11 3i8e s TYR 182 Ca 0.03 -0.73 0.07 0.00 -0.52 0.00 0.00 57.07 55.92 3i8e s TYR 182 Cb -0.18 -1.99 -0.03 0.00 0.38 0.00 0.00 41.96 40.14 3i8e s TYR 182 CO 0.05 -0.36 -0.18 -0.65 -1.52 0.00 0.00 175.55 172.88 3i8e s GLN 183 N -4.23 1.06 0.30 -3.49 -0.21 -0.34 -2.48 119.66 110.27 3i8e s GLN 183 Ca 0.39 -1.16 -0.19 0.00 0.02 0.00 0.00 55.36 54.42 3i8e s GLN 183 Cb -0.02 -1.18 0.06 0.00 1.00 0.00 0.00 33.01 32.86 3i8e s GLN 183 CO 0.24 0.26 0.87 0.16 -2.12 0.00 0.00 175.29 174.70 3i8e s ASP 184 N -2.06 -0.04 0.47 5.90 1.47 -0.82 -4.60 116.67 116.99 3i8e s ASP 184 Ca 0.06 -0.90 0.29 0.00 1.18 0.00 0.00 52.55 53.18 3i8e s ASP 184 Cb -0.09 0.71 1.59 0.00 -0.34 0.00 0.00 42.92 44.80 3i8e s ASP 184 CO 0.04 -1.40 1.89 1.55 0.68 0.00 0.00 175.17 177.93 3i8e h PRO 185 N 2.00 0.00 0.00 2.11 0.13 -2.05 0.74 132.00 134.93 3i8e h PRO 185 Ca -0.29 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.76 3i8e h PRO 185 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 3i8e h PRO 185 CO 0.36 0.00 -0.60 1.96 -0.23 0.00 0.00 178.00 179.50 3i8e h GLN 186 N 0.00 0.00 0.00 0.86 7.50 -2.03 -3.50 115.11 117.94 3i8e h GLN 186 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3i8e h GLN 186 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.65 3i8e h GLN 186 CO 0.00 0.30 0.00 0.41 -1.50 0.00 0.00 178.83 178.04 3i8e n GLY 187 N 1.22 0.44 3.84 3.46 0.00 0.25 -5.08 105.19 109.33 3i8e n GLY 187 Ca 0.00 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.77 3i8e n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8e s ARG 188 N -0.79 3.77 0.08 1.61 0.52 -1.26 -1.95 118.95 120.93 3i8e s ARG 188 Ca 0.00 0.16 0.00 0.00 -0.52 0.00 0.00 55.73 55.37 3i8e s ARG 188 Cb 0.00 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.20 3i8e s ARG 188 CO 0.00 0.68 -0.04 -1.01 0.02 0.00 0.00 175.30 174.95 3i8e s HIS 189 N -0.88 0.74 -0.01 -0.53 3.76 -1.03 -3.15 115.29 114.17 3i8e s HIS 189 Ca 0.19 -1.01 0.04 0.00 -0.15 0.00 0.00 55.06 54.13 3i8e s HIS 189 Cb -0.14 -0.47 -0.03 0.00 1.11 0.00 0.00 32.58 33.05 3i8e s HIS 189 CO 0.09 -0.28 -0.12 0.54 -0.85 0.00 0.00 174.74 174.11 3i8e s VAL 190 N -3.79 3.27 -0.00 -0.90 0.11 -1.20 -2.00 120.40 115.89 3i8e s VAL 190 Ca 0.11 -0.83 -0.15 0.00 -2.93 0.00 0.00 61.98 58.18 3i8e s VAL 190 Cb 0.07 -2.36 0.02 0.00 -1.53 0.00 0.00 36.38 32.58 3i8e s VAL 190 CO -0.06 0.46 0.32 -0.75 -3.33 0.00 0.00 175.10 171.74 3i8e s LYS 191 N -1.15 0.71 0.00 1.54 2.47 -1.03 -2.43 119.74 119.86 3i8e s LYS 191 Ca 0.14 -0.24 0.05 0.00 -1.56 0.00 0.00 55.97 54.35 3i8e s LYS 191 Cb -0.11 0.32 -0.01 0.00 -1.46 0.00 0.00 37.83 36.56 3i8e s LYS 191 CO 0.04 -0.21 -0.14 0.95 0.16 0.00 0.00 175.35 176.15 3i8e s THR 192 N -1.59 1.13 -0.07 3.43 -4.23 -1.26 -2.44 115.64 110.61 3i8e s THR 192 Ca -0.12 -0.72 0.04 0.00 -1.18 0.00 0.00 61.69 59.71 3i8e s THR 192 Cb -0.04 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 72.84 3i8e s THR 192 CO 0.03 0.23 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.85 3i8e s TYR 193 N -0.48 1.95 -0.16 3.99 1.51 -1.18 -0.47 117.35 122.52 3i8e s TYR 193 Ca 0.05 -0.69 -0.27 0.00 -1.01 0.00 0.00 57.07 55.14 3i8e s TYR 193 Cb -0.06 -1.33 -0.01 0.00 -0.11 0.00 0.00 41.96 40.45 3i8e s TYR 193 CO -0.00 -0.28 0.92 -1.21 -1.11 0.00 0.00 175.55 173.87 3i8e s GLU 194 N 0.31 4.33 -0.79 -0.62 2.02 -1.16 -1.55 118.70 121.23 3i8e s GLU 194 Ca -0.12 1.19 -0.13 0.00 0.02 0.00 0.00 54.97 55.93 3i8e s GLU 194 Cb -0.15 -3.57 0.21 0.00 0.10 0.00 0.00 34.13 30.71 3i8e s GLU 194 CO 0.05 -0.37 0.72 0.08 0.02 0.00 0.00 175.26 175.76 3i8e s VAL 195 N 2.27 5.40 -0.13 2.63 1.01 0.34 -3.62 120.40 128.29 3i8e s VAL 195 Ca 0.42 -2.47 -0.29 0.00 0.00 0.00 0.00 61.98 59.64 3i8e s VAL 195 Cb -0.17 -4.36 -0.01 0.00 0.00 0.00 0.00 36.38 31.85 3i8e s VAL 195 CO 0.13 -1.00 0.99 -0.55 0.00 0.00 0.00 175.10 174.67 3i8e s SER 196 N 2.09 7.19 0.00 3.32 0.15 -1.24 -4.16 113.70 121.05 3i8e s SER 196 Ca 0.17 1.47 0.23 0.00 0.70 0.00 0.00 55.95 58.52 3i8e s SER 196 Cb -0.12 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 61.70 3i8e s SER 196 CO -0.08 -0.47 1.11 0.00 1.20 0.00 0.00 173.24 175.00 3i8e n LEU 197 N 5.22 1.18 0.03 3.45 -0.00 -1.26 -2.69 117.00 122.93 3i8e n LEU 197 Ca 0.09 -0.45 -0.13 0.00 -0.00 0.00 0.00 56.01 55.51 3i8e n LEU 197 Cb 0.48 -0.06 -0.09 0.00 -0.00 0.00 0.00 43.42 43.76 3i8e n LEU 197 CO 0.52 0.26 0.70 -0.09 -0.00 0.00 0.00 177.39 178.77 3i8e h ARG 198 N 0.75 -0.07 -0.02 1.47 2.43 -1.96 -3.28 114.38 113.70 3i8e h ARG 198 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i8e h ARG 198 Cb 0.57 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3i8e h ARG 198 CO 0.00 0.23 -0.06 0.39 -1.51 0.00 0.00 179.97 179.02 3i8e n GLU 199 N -4.98 1.80 -3.37 0.20 -0.58 -1.26 -4.95 120.64 107.50 3i8e n GLU 199 Ca -0.08 -1.29 -0.24 0.00 -0.42 0.00 0.00 57.16 55.13 3i8e n GLU 199 Cb 0.18 -1.47 0.01 0.00 -0.57 0.00 0.00 31.44 29.59 3i8e n GLU 199 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3i8e n LYS 200 N 0.53 -4.01 -4.03 3.49 5.02 -1.20 -4.99 118.16 112.96 3i8e n LYS 200 Ca 0.16 0.59 -0.27 0.00 -2.02 0.00 0.00 58.31 56.76 3i8e n LYS 200 Cb 0.46 -5.35 -0.02 0.00 -0.02 0.00 0.00 35.03 30.10 3i8e n LYS 200 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3i8e s GLU 201 N -6.04 2.24 -0.00 1.97 2.02 -1.10 -4.86 118.70 112.93 3i8e s GLU 201 Ca 0.42 -2.09 0.10 0.00 0.02 0.00 0.00 54.97 53.41 3i8e s GLU 201 Cb -0.21 -2.00 -0.11 0.00 0.10 0.00 0.00 34.13 31.90 3i8e s GLU 201 CO 0.52 -0.59 0.36 1.19 0.02 0.00 0.00 175.26 176.76 3i8e n PHE 202 N -1.69 0.00 -0.03 1.61 0.99 -1.26 -3.68 117.46 113.39 3i8e n PHE 202 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.40 3i8e n PHE 202 Cb 0.65 -0.05 0.00 0.00 -1.00 0.00 0.00 39.48 39.08 3i8e n PHE 202 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3i8e n ASN 203 N -1.36 0.00 -3.79 4.37 5.03 -1.24 -2.99 115.26 115.27 3i8e n ASN 203 Ca 0.01 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.33 3i8e n ASN 203 Cb 0.17 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 38.80 3i8e n ASN 203 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3i8e s LYS 204 N 0.00 0.17 1.03 3.52 2.20 -1.26 -4.72 119.74 120.68 3i8e s LYS 204 Ca 0.00 0.28 -0.12 0.00 -0.36 0.00 0.00 55.97 55.77 3i8e s LYS 204 Cb 0.00 0.02 0.21 0.00 -1.51 0.00 0.00 37.83 36.55 3i8e s LYS 204 CO 0.00 -0.06 1.08 0.20 -0.36 0.00 0.00 175.35 176.21 3i8e s GLY 205 N 0.40 1.56 0.24 5.54 0.00 0.38 -3.74 107.32 111.70 3i8e s GLY 205 Ca -0.03 -0.32 0.21 0.00 0.00 0.00 0.00 44.72 44.59 3i8e s GLY 205 CO -0.02 0.31 1.65 -1.05 0.00 0.00 0.00 173.10 173.99 3i8e n PRO 206 N -4.31 0.16 -3.78 2.90 -0.02 -1.26 -4.76 135.00 123.93 3i8e n PRO 206 Ca 0.05 0.45 -0.13 0.00 -2.02 0.00 0.00 63.50 61.85 3i8e n PRO 206 Cb 0.57 -1.84 -0.09 0.00 -0.02 0.00 0.00 33.50 32.11 3i8e n PRO 206 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3i8e s TRP 207 N -3.32 -0.19 0.41 6.00 -2.14 -1.26 -4.90 118.94 113.54 3i8e s TRP 207 Ca 0.03 0.36 -0.26 0.00 2.66 0.00 0.00 56.10 58.89 3i8e s TRP 207 Cb 0.08 0.08 -0.10 0.00 -3.10 0.00 0.00 33.47 30.43 3i8e s TRP 207 CO 0.33 -0.32 1.27 1.63 -2.66 0.00 0.00 176.95 177.21 3i8e n LYS 208 N 1.73 1.97 -1.66 3.25 5.02 -1.26 -4.40 118.16 122.81 3i8e n LYS 208 Ca -0.19 0.70 -0.48 0.00 -2.02 0.00 0.00 58.31 56.32 3i8e n LYS 208 Cb 0.56 -2.37 -0.05 0.00 -0.02 0.00 0.00 35.03 33.15 3i8e n LYS 208 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3i8e n GLN 209 N 0.14 2.12 0.00 1.97 7.27 -1.26 -4.93 117.38 122.69 3i8e n GLN 209 Ca 0.06 0.76 0.00 0.00 0.07 0.00 0.00 57.00 57.89 3i8e n GLN 209 Cb 0.39 -2.69 0.00 0.00 2.41 0.00 0.00 30.24 30.35 3i8e n GLN 209 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3i8e n GLU 210 N 6.98 3.54 -4.12 3.69 -0.58 -1.02 -4.95 120.64 124.18 3i8e n GLU 210 Ca 0.24 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.74 3i8e n GLU 210 Cb 0.31 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 31.01 3i8e n GLU 210 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3i8e s ASN 211 N -0.70 1.68 0.45 1.62 0.01 -1.26 -3.21 114.94 113.54 3i8e s ASN 211 Ca 0.00 -0.22 0.07 0.00 -0.71 0.00 0.00 52.86 52.00 3i8e s ASN 211 Cb 0.00 -0.68 -0.01 0.00 0.41 0.00 0.00 41.25 40.97 3i8e s ASN 211 CO 0.00 -0.08 0.34 0.68 -1.51 0.00 0.00 177.10 176.53 3i8e s VAL 212 N 1.29 2.29 0.73 1.60 -7.23 -1.19 -4.90 120.40 113.00 3i8e s VAL 212 Ca -0.04 -1.47 -0.11 0.00 -1.81 0.00 0.00 61.98 58.55 3i8e s VAL 212 Cb -0.14 -2.76 0.03 0.00 0.56 0.00 0.00 36.38 34.07 3i8e s VAL 212 CO -0.03 0.00 1.07 -1.83 -0.31 0.00 0.00 175.10 174.01 3i8e s GLU 213 N -4.12 2.62 0.00 4.82 -1.05 -1.26 -4.46 118.70 115.24 3i8e s GLU 213 Ca 0.43 0.88 0.00 0.00 -0.15 0.00 0.00 54.97 56.13 3i8e s GLU 213 Cb -0.01 -1.96 0.00 0.00 -0.44 0.00 0.00 34.13 31.72 3i8e s GLU 213 CO 0.25 -1.31 0.82 0.00 0.95 0.00 0.00 175.26 175.98 3i8e n ALA 214 N -3.26 2.33 -1.88 -0.84 0.00 -1.26 -2.02 120.51 113.59 3i8e n ALA 214 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3i8e n ALA 214 Cb 0.54 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3i8e n ALA 214 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i8e n GLU 215 N 0.62 0.00 -1.87 0.00 -0.58 -1.26 -5.02 120.64 112.53 3i8e n GLU 215 Ca 0.00 -0.06 -0.42 0.00 -0.42 0.00 0.00 57.16 56.26 3i8e n GLU 215 Cb 0.40 -0.06 -0.02 0.00 -0.57 0.00 0.00 31.44 31.19 3i8e n GLU 215 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i8e s ALA 216 N 0.00 3.77 0.00 0.62 0.00 -0.85 -3.83 121.76 121.46 3i8e s ALA 216 Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.42 3i8e s ALA 216 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3i8e s ALA 216 CO 0.00 -0.85 0.36 -1.13 0.00 0.00 0.00 175.76 174.14 3i8e n SER 217 N 3.11 0.00 -3.67 0.00 3.41 0.13 -4.94 113.62 111.66 3i8e n SER 217 Ca 0.11 -1.03 -0.09 0.00 -0.26 0.00 0.00 58.87 57.60 3i8e n SER 217 Cb 0.38 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.23 3i8e n SER 217 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3i8e s MET 218 N 0.00 0.54 -0.22 4.33 -1.94 -1.10 -4.78 119.30 116.13 3i8e s MET 218 Ca 0.00 0.97 -0.06 0.00 -1.71 0.00 0.00 55.69 54.89 3i8e s MET 218 Cb 0.00 0.07 -0.03 0.00 2.01 0.00 0.00 34.83 36.88 3i8e s MET 218 CO 0.00 -0.15 0.03 0.08 -0.01 0.00 0.00 175.02 174.97 3i8e s VAL 219 N 1.42 4.09 -0.24 -6.03 1.01 -1.26 -1.75 120.40 117.64 3i8e s VAL 219 Ca -0.09 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 3i8e s VAL 219 Cb -0.07 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 3i8e s VAL 219 CO -0.15 0.39 0.00 -0.63 0.00 0.00 0.00 175.10 174.72 3i8e s ILE 220 N 1.25 3.66 0.49 2.22 1.01 0.23 -4.76 121.20 125.30 3i8e s ILE 220 Ca 0.04 -0.47 -0.18 0.00 0.00 0.00 0.00 60.65 60.04 3i8e s ILE 220 Cb -0.15 -2.72 -0.09 0.00 0.01 0.00 0.00 42.46 39.52 3i8e s ILE 220 CO 0.02 0.34 0.97 0.00 0.00 0.00 0.00 174.94 176.27 3i8e s ALA 221 N 1.51 3.06 0.01 9.38 0.00 -1.26 0.31 121.76 134.76 3i8e s ALA 221 Ca 0.05 0.23 0.05 0.00 0.00 0.00 0.00 51.96 52.30 3i8e s ALA 221 Cb -0.15 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 3i8e s ALA 221 CO -0.01 -0.14 -0.16 0.08 0.00 0.00 0.00 175.76 175.53 3i8e s VAL 222 N -2.51 1.27 0.00 0.00 1.01 -1.08 -4.90 120.40 114.19 3i8e s VAL 222 Ca 0.60 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3i8e s VAL 222 Cb -0.10 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.19 3i8e s VAL 222 CO 0.27 0.24 0.00 -0.81 0.00 0.00 0.00 175.10 174.80 3i8e n PRO 223 N 2.36 0.21 -0.25 2.72 -0.04 -1.26 -3.39 135.00 135.35 3i8e n PRO 223 Ca -0.16 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.37 3i8e n PRO 223 Cb 0.54 0.00 0.31 0.00 -0.04 0.00 0.00 33.50 34.32 3i8e n PRO 223 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3i8e h GLU 224 N 0.00 0.83 -0.02 0.54 4.39 -1.91 0.34 114.58 118.75 3i8e h GLU 224 Ca 0.00 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 3i8e h GLU 224 Cb 0.00 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 3i8e h GLU 224 CO 0.00 0.55 -0.42 -1.35 -1.16 0.00 0.00 179.01 176.62 3i8e h PRO 225 N 0.85 0.04 0.00 2.33 0.11 -1.92 -3.41 132.00 130.00 3i8e h PRO 225 Ca 0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3i8e h PRO 225 Cb 0.32 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 3i8e h PRO 225 CO -0.14 0.46 0.00 1.19 -0.21 0.00 0.00 178.00 179.30 3i8e n PHE 226 N -4.03 0.00 -0.46 0.65 3.01 -0.87 -4.08 117.46 111.68 3i8e n PHE 226 Ca -0.02 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.45 3i8e n PHE 226 Cb 0.46 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.92 3i8e n PHE 226 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i8e n GLY 227 N 2.22 -3.14 0.00 1.37 0.00 0.06 -5.02 105.19 100.68 3i8e n GLY 227 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3i8e n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8e n GLY 228 N -1.93 0.87 2.90 -0.02 0.00 -1.26 -4.89 105.19 100.86 3i8e n GLY 228 Ca -0.00 -2.23 -0.27 0.00 0.00 0.00 0.00 46.02 43.52 3i8e n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8e s ALA 229 N -1.07 1.32 -0.20 4.61 0.00 -0.12 -2.63 121.76 123.66 3i8e s ALA 229 Ca 0.00 -0.57 -0.22 0.00 0.00 0.00 0.00 51.96 51.17 3i8e s ALA 229 Cb 0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 3i8e s ALA 229 CO 0.00 -0.47 0.69 0.42 0.00 0.00 0.00 175.76 176.40 3i8e s ILE 230 N 1.71 4.97 -0.15 0.00 1.01 0.15 -0.09 121.20 128.81 3i8e s ILE 230 Ca 0.04 1.31 -0.01 0.00 0.00 0.00 0.00 60.65 61.99 3i8e s ILE 230 Cb -0.13 -4.00 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 3i8e s ILE 230 CO -0.08 0.07 -0.11 -0.63 0.00 0.00 0.00 174.94 174.19 3i8e s ILE 231 N 2.08 3.17 -0.15 2.92 1.09 0.52 0.76 121.20 131.60 3i8e s ILE 231 Ca 0.31 -0.61 -0.00 0.00 -1.10 0.00 0.00 60.65 59.25 3i8e s ILE 231 Cb -0.16 -2.35 -0.01 0.00 -1.06 0.00 0.00 42.46 38.88 3i8e s ILE 231 CO 0.10 0.51 -0.14 -0.63 -0.10 0.00 0.00 174.94 174.69 3i8e s ILE 232 N 0.51 2.89 0.00 2.92 1.01 -0.72 -1.27 121.20 126.55 3i8e s ILE 232 Ca -0.08 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.87 3i8e s ILE 232 Cb -0.15 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.09 3i8e s ILE 232 CO 0.04 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.10 3i8e n GLY 233 N 3.83 4.75 3.91 6.18 0.00 -1.14 -0.69 105.19 122.04 3i8e n GLY 233 Ca -0.19 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 3i8e n GLY 233 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i8e s GLN 234 N 3.77 3.61 -0.27 1.61 -1.52 -1.25 -4.55 119.66 121.06 3i8e s GLN 234 Ca 0.00 -0.08 0.00 0.00 -1.95 0.00 0.00 55.36 53.33 3i8e s GLN 234 Cb 0.00 -2.71 0.00 0.00 -0.22 0.00 0.00 33.01 30.08 3i8e s GLN 234 CO 0.00 0.29 0.00 -0.85 -0.25 0.00 0.00 175.29 174.48 3i8e n GLU 235 N -0.76 -1.38 -3.56 2.91 -0.00 -1.26 -4.80 120.64 111.78 3i8e n GLU 235 Ca -0.02 0.18 -0.15 0.00 -0.00 0.00 0.00 57.16 57.17 3i8e n GLU 235 Cb 0.54 -3.86 -0.06 0.00 -0.00 0.00 0.00 31.44 28.06 3i8e n GLU 235 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3i8e s SER 236 N -1.01 -0.60 -0.05 -1.84 0.15 -1.26 -4.42 113.70 104.67 3i8e s SER 236 Ca 0.00 0.81 0.01 0.00 0.70 0.00 0.00 55.95 57.48 3i8e s SER 236 Cb 0.00 0.70 0.02 0.00 -1.71 0.00 0.00 66.02 65.03 3i8e s SER 236 CO 0.00 -0.45 -0.07 -0.63 1.20 0.00 0.00 173.24 173.30 3i8e s ILE 237 N -0.75 0.72 0.14 6.45 1.01 -0.16 -2.87 121.20 125.75 3i8e s ILE 237 Ca -0.06 -0.23 0.10 0.00 0.00 0.00 0.00 60.65 60.46 3i8e s ILE 237 Cb -0.01 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 3i8e s ILE 237 CO 0.05 0.27 -0.19 0.42 0.00 0.00 0.00 174.94 175.49 3i8e s THR 238 N 0.90 2.73 -0.13 2.92 -4.23 -0.40 -1.65 115.64 115.78 3i8e s THR 238 Ca -0.11 -1.67 0.02 0.00 -1.18 0.00 0.00 61.69 58.74 3i8e s THR 238 Cb -0.15 -2.28 0.02 0.00 1.34 0.00 0.00 72.50 71.43 3i8e s THR 238 CO 0.01 0.02 -0.18 -0.47 -0.54 0.00 0.00 174.62 173.46 3i8e s TYR 239 N -1.33 2.32 -0.03 3.99 5.04 0.22 -0.35 117.35 127.19 3i8e s TYR 239 Ca 0.19 -1.20 0.04 0.00 -2.44 0.00 0.00 57.07 53.66 3i8e s TYR 239 Cb -0.10 -1.63 -0.03 0.00 0.35 0.00 0.00 41.96 40.55 3i8e s TYR 239 CO 0.10 -0.60 -0.14 -1.01 -1.34 0.00 0.00 175.55 172.57 3i8e s HIS 240 N 1.08 2.71 0.35 4.97 3.76 0.88 -1.36 115.29 127.67 3i8e s HIS 240 Ca -0.03 -0.15 -0.14 0.00 -0.15 0.00 0.00 55.06 54.59 3i8e s HIS 240 Cb -0.14 -1.60 0.03 0.00 1.11 0.00 0.00 32.58 31.98 3i8e s HIS 240 CO -0.05 0.22 0.69 1.21 -0.85 0.00 0.00 174.74 175.96 3i8e s ASN 241 N -0.93 0.13 0.00 1.40 3.84 0.15 -0.95 114.94 118.57 3i8e s ASN 241 Ca 0.13 -1.10 0.00 0.00 0.21 0.00 0.00 52.86 52.10 3i8e s ASN 241 Cb -0.11 0.77 0.00 0.00 -0.55 0.00 0.00 41.25 41.36 3i8e s ASN 241 CO 0.02 -1.51 0.00 0.61 -2.79 0.00 0.00 177.10 173.44 3i8e n GLY 242 N -0.51 0.00 0.00 1.21 0.00 -1.26 -2.99 105.19 101.63 3i8e n GLY 242 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3i8e n GLY 242 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i8e n ASP 243 N -1.63 0.42 -4.71 1.61 9.92 -1.26 -4.62 116.55 116.28 3i8e n ASP 243 Ca 0.00 -1.12 -0.42 0.00 -0.53 0.00 0.00 54.79 52.72 3i8e n ASP 243 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 3i8e n ASP 243 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3i8e s LYS 244 N -0.12 4.53 -0.02 -1.24 2.47 -1.16 -5.04 119.74 119.15 3i8e s LYS 244 Ca 0.00 1.39 0.01 0.00 -1.56 0.00 0.00 55.97 55.81 3i8e s LYS 244 Cb 0.00 -3.47 0.01 0.00 -1.46 0.00 0.00 37.83 32.91 3i8e s LYS 244 CO 0.00 -0.09 -0.03 -0.47 0.16 0.00 0.00 175.35 174.92 3i8e s TYR 245 N 1.18 0.45 -0.01 4.03 5.04 -1.26 -0.68 117.35 126.10 3i8e s TYR 245 Ca 0.51 -0.08 0.01 0.00 -2.44 0.00 0.00 57.07 55.07 3i8e s TYR 245 Cb -0.20 -0.41 0.00 0.00 0.35 0.00 0.00 41.96 41.70 3i8e s TYR 245 CO 0.26 -0.09 -0.03 -0.51 -1.34 0.00 0.00 175.55 173.83 3i8e s LEU 246 N 0.54 1.91 -0.04 6.97 1.43 -0.47 -4.99 118.68 124.03 3i8e s LEU 246 Ca -0.06 -0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 52.89 3i8e s LEU 246 Cb -0.09 -0.18 0.02 0.00 0.03 0.00 0.00 46.19 45.96 3i8e s LEU 246 CO -0.01 0.03 0.22 0.00 0.23 0.00 0.00 176.35 176.82 3i8e s ALA 247 N 0.05 -0.55 -0.15 4.21 0.00 -1.26 0.69 121.76 124.75 3i8e s ALA 247 Ca -0.00 0.33 -0.13 0.00 0.00 0.00 0.00 51.96 52.15 3i8e s ALA 247 Cb -0.03 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.01 3i8e s ALA 247 CO -0.00 -0.18 0.40 0.96 0.00 0.00 0.00 175.76 176.94 3i8e s ILE 248 N -0.71 -0.00 -0.70 0.00 -5.25 -0.66 -5.02 121.20 108.86 3i8e s ILE 248 Ca -0.08 0.01 0.05 0.00 -0.99 0.00 0.00 60.65 59.64 3i8e s ILE 248 Cb -0.04 -0.56 0.17 0.00 2.95 0.00 0.00 42.46 44.98 3i8e s ILE 248 CO 0.02 0.00 0.50 0.00 -1.79 0.00 0.00 174.94 173.67 3i8e n ALA 249 N 2.98 3.42 -2.66 2.27 0.00 -1.26 -0.99 120.51 124.27 3i8e n ALA 249 Ca -0.14 -4.49 -0.42 0.00 0.00 0.00 0.00 53.44 48.38 3i8e n ALA 249 Cb 0.57 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 3i8e n ALA 249 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i8e s PRO 250 N -1.45 4.27 0.55 0.00 0.04 -1.26 -4.91 135.00 132.24 3i8e s PRO 250 Ca 0.26 1.22 0.38 0.00 0.04 0.00 0.00 61.00 62.89 3i8e s PRO 250 Cb -0.03 -3.62 1.54 0.00 0.04 0.00 0.00 34.50 32.43 3i8e s PRO 250 CO -0.17 -0.51 1.75 -1.35 0.04 0.00 0.00 177.00 176.76 3i8e h PRO 251 N 7.43 0.00 -0.41 0.56 0.11 -1.98 -1.63 132.00 136.08 3i8e h PRO 251 Ca -0.23 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.95 3i8e h PRO 251 Cb 1.09 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.13 3i8e h PRO 251 CO 0.92 0.00 -0.01 0.97 -0.21 0.00 0.00 178.00 179.67 3i8e h ILE 252 N 0.00 0.68 0.00 4.15 2.10 -1.97 -2.66 117.51 119.81 3i8e h ILE 252 Ca 0.59 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 66.50 3i8e h ILE 252 Cb 2.45 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 38.76 3i8e h ILE 252 CO -0.01 0.02 0.00 0.16 -1.08 0.00 0.00 178.15 177.24 3i8e h ILE 253 N 0.10 0.00 -0.22 2.19 3.07 -1.65 -3.29 117.51 117.70 3i8e h ILE 253 Ca 0.20 -0.55 0.05 0.00 1.55 0.00 0.00 64.86 66.11 3i8e h ILE 253 Cb 0.29 1.50 -0.05 0.00 -0.27 0.00 0.00 36.82 38.29 3i8e h ILE 253 CO -0.34 0.00 -0.08 0.50 -1.05 0.00 0.00 178.15 177.18 3i8e h LYS 254 N 0.00 -0.03 -0.94 0.16 3.64 -1.55 -3.18 116.57 114.66 3i8e h LYS 254 Ca 0.00 0.00 0.31 0.00 -1.27 0.00 0.00 60.65 59.69 3i8e h LYS 254 Cb 0.69 0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 32.35 3i8e h LYS 254 CO 0.00 -0.02 0.19 1.04 -2.27 0.00 0.00 179.45 178.39 3i8e n GLN 255 N -5.24 -0.07 -3.80 1.90 6.02 -1.24 -4.55 117.38 110.41 3i8e n GLN 255 Ca -0.02 1.37 -0.12 0.00 -0.01 0.00 0.00 57.00 58.23 3i8e n GLN 255 Cb 0.16 -2.28 -0.08 0.00 1.02 0.00 0.00 30.24 29.06 3i8e n GLN 255 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3i8e s SER 256 N -4.85 -0.07 -0.01 1.08 0.15 -1.20 -5.10 113.70 103.70 3i8e s SER 256 Ca -0.11 -0.19 -0.30 0.00 0.70 0.00 0.00 55.95 56.05 3i8e s SER 256 Cb 0.29 0.31 -0.06 0.00 -1.71 0.00 0.00 66.02 64.85 3i8e s SER 256 CO 0.74 -0.54 1.54 -0.89 1.20 0.00 0.00 173.24 175.29 3i8e s THR 257 N -2.19 3.51 -0.21 6.45 2.01 -1.26 -4.85 115.64 119.10 3i8e s THR 257 Ca -0.08 0.83 -0.29 0.00 0.31 0.00 0.00 61.69 62.46 3i8e s THR 257 Cb -0.02 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 3i8e s THR 257 CO -0.01 -0.03 1.58 -0.63 -0.69 0.00 0.00 174.62 174.84 3i8e s ILE 258 N 3.03 3.74 -0.26 1.82 1.09 -1.26 -3.57 121.20 125.79 3i8e s ILE 258 Ca 0.69 0.84 -0.10 0.00 -1.10 0.00 0.00 60.65 60.98 3i8e s ILE 258 Cb -0.34 -3.73 -0.15 0.00 -1.06 0.00 0.00 42.46 37.19 3i8e s ILE 258 CO 0.28 -0.28 -0.22 0.55 -0.10 0.00 0.00 174.94 175.17 3i8e n VAL 259 N 6.27 1.53 -4.22 2.92 3.14 0.62 -4.98 118.33 123.62 3i8e n VAL 259 Ca 0.18 -0.42 -0.20 0.00 -2.96 0.00 0.00 64.34 60.95 3i8e n VAL 259 Cb 0.45 -1.75 -0.12 0.00 -1.06 0.00 0.00 33.84 31.36 3i8e n VAL 259 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i8e n HIS 261 N 0.99 -0.02 0.00 0.00 -0.00 -1.26 0.78 115.22 115.72 3i8e n HIS 261 Ca -0.19 -2.28 0.00 0.00 -0.00 0.00 0.00 57.72 55.25 3i8e n HIS 261 Cb 0.55 0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.58 3i8e n HIS 261 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 3i8e n ASN 262 N -1.65 0.00 -4.73 4.39 5.15 -0.37 -4.64 115.26 113.41 3i8e n ASN 262 Ca -0.03 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.53 3i8e n ASN 262 Cb 0.53 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.75 3i8e n ASN 262 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3i8e s ARG 263 N -0.05 4.37 -0.27 1.20 3.52 -1.26 0.67 118.95 127.13 3i8e s ARG 263 Ca 0.00 2.05 -0.15 0.00 -0.13 0.00 0.00 55.73 57.50 3i8e s ARG 263 Cb 0.00 -3.21 -0.13 0.00 -1.56 0.00 0.00 34.95 30.05 3i8e s ARG 263 CO 0.00 -0.30 -0.28 0.28 -0.81 0.00 0.00 175.30 174.18 3i8e n VAL 264 N 3.04 1.53 -3.99 7.11 0.31 0.13 -4.76 118.33 121.70 3i8e n VAL 264 Ca 0.08 -0.31 -0.35 0.00 -0.01 0.00 0.00 64.34 63.75 3i8e n VAL 264 Cb 0.43 -1.93 -0.09 0.00 -0.91 0.00 0.00 33.84 31.34 3i8e n VAL 264 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3i8e s ASP 265 N -7.34 5.70 0.26 4.52 1.01 -1.22 -5.01 116.67 114.59 3i8e s ASP 265 Ca -0.37 0.12 -0.03 0.00 0.71 0.00 0.00 52.55 52.97 3i8e s ASP 265 Cb 0.13 -1.96 0.53 0.00 1.01 0.00 0.00 42.92 42.63 3i8e s ASP 265 CO 0.50 0.20 1.66 1.55 0.21 0.00 0.00 175.17 179.29 3i8e h PRO 266 N 6.53 0.21 -0.01 8.23 0.13 -1.93 0.34 132.00 145.50 3i8e h PRO 266 Ca -0.39 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3i8e h PRO 266 Cb 1.17 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3i8e h PRO 266 CO 0.70 0.14 0.00 0.27 -0.23 0.00 0.00 178.00 178.88 3i8e n ASN 267 N -5.22 0.01 -3.64 1.44 6.94 -1.26 -4.80 115.26 108.73 3i8e n ASN 267 Ca 0.16 -0.50 -0.21 0.00 -0.02 0.00 0.00 54.58 54.00 3i8e n ASN 267 Cb 0.53 -0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.99 3i8e n ASN 267 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i8e n GLY 268 N -0.22 -0.35 0.13 4.83 0.00 0.12 -4.80 105.19 104.90 3i8e n GLY 268 Ca 0.00 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 3i8e n GLY 268 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i8e n SER 269 N -3.05 2.03 -4.25 1.61 3.41 -1.24 -4.89 113.62 107.24 3i8e n SER 269 Ca -0.23 0.07 -0.32 0.00 -0.26 0.00 0.00 58.87 58.13 3i8e n SER 269 Cb 0.65 -0.66 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 3i8e n SER 269 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i8e s ARG 270 N -2.52 2.87 0.11 4.33 0.52 -1.26 -2.41 118.95 120.59 3i8e s ARG 270 Ca -0.30 -0.88 0.07 0.00 -0.52 0.00 0.00 55.73 54.10 3i8e s ARG 270 Cb 0.08 -2.26 -0.04 0.00 0.52 0.00 0.00 34.95 33.26 3i8e s ARG 270 CO 0.65 0.26 -0.18 0.71 0.02 0.00 0.00 175.30 176.76 3i8e s TYR 271 N 0.14 1.64 -0.01 -0.53 1.51 0.18 0.18 117.35 120.46 3i8e s TYR 271 Ca -0.13 -0.45 -0.01 0.00 -1.01 0.00 0.00 57.07 55.47 3i8e s TYR 271 Cb -0.16 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.77 3i8e s TYR 271 CO 0.07 0.19 0.10 -0.51 -1.11 0.00 0.00 175.55 174.29 3i8e s LEU 272 N -2.07 3.98 -0.02 -1.29 1.43 0.21 -0.32 118.68 120.59 3i8e s LEU 272 Ca 0.07 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 3i8e s LEU 272 Cb -0.09 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.85 3i8e s LEU 272 CO 0.04 0.28 0.01 -0.76 0.23 0.00 0.00 176.35 176.14 3i8e s LEU 273 N -1.74 1.25 0.23 1.79 1.43 -0.43 -1.23 118.68 119.98 3i8e s LEU 273 Ca 0.23 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.36 3i8e s LEU 273 Cb -0.12 -0.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.90 3i8e s LEU 273 CO 0.14 -0.09 0.36 -0.83 0.23 0.00 0.00 176.35 176.16 3i8e s GLY 274 N 0.90 1.36 0.33 -3.19 0.00 0.23 -0.73 107.32 106.22 3i8e s GLY 274 Ca -0.09 -1.14 0.03 0.00 0.00 0.00 0.00 44.72 43.53 3i8e s GLY 274 CO -0.02 -1.14 0.11 -0.35 0.00 0.00 0.00 173.10 171.70 3i8e s ASP 275 N -3.78 2.02 0.42 1.64 3.68 -1.22 -0.28 116.67 119.15 3i8e s ASP 275 Ca 0.35 -1.50 0.27 0.00 2.13 0.00 0.00 52.55 53.80 3i8e s ASP 275 Cb -0.10 0.24 0.82 0.00 -1.45 0.00 0.00 42.92 42.44 3i8e s ASP 275 CO 0.30 -0.79 1.77 -0.03 0.13 0.00 0.00 175.17 176.55 3i8e h MET 276 N 2.11 0.00 0.00 4.34 1.85 -1.89 -3.18 114.93 118.16 3i8e h MET 276 Ca -0.37 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 58.65 3i8e h MET 276 Cb 1.25 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.27 3i8e h MET 276 CO 0.60 0.00 -0.37 0.93 -0.40 0.00 0.00 176.91 177.67 3i8e h GLU 277 N 0.00 0.00 0.00 0.39 4.39 -1.95 -3.47 114.58 113.94 3i8e h GLU 277 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i8e h GLU 277 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 3i8e h GLU 277 CO 0.00 0.35 0.00 0.41 -1.16 0.00 0.00 179.01 178.61 3i8e n GLY 278 N 1.19 0.78 3.75 -3.84 0.00 -1.20 -4.86 105.19 101.01 3i8e n GLY 278 Ca 0.02 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 3i8e n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8e s ARG 279 N -0.71 4.48 -0.43 1.61 0.52 -1.26 0.25 118.95 123.41 3i8e s ARG 279 Ca 0.00 1.03 -0.11 0.00 -0.52 0.00 0.00 55.73 56.12 3i8e s ARG 279 Cb 0.00 -3.36 0.07 0.00 0.52 0.00 0.00 34.95 32.18 3i8e s ARG 279 CO 0.00 0.30 0.29 -1.17 0.02 0.00 0.00 175.30 174.74 3i8e s LEU 280 N -0.09 5.21 0.22 2.53 2.96 -1.14 -3.38 118.68 124.98 3i8e s LEU 280 Ca 0.38 -1.35 -0.01 0.00 -0.22 0.00 0.00 54.13 52.93 3i8e s LEU 280 Cb -0.20 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 3i8e s LEU 280 CO 0.22 -0.54 0.41 -0.36 -1.32 0.00 0.00 176.35 174.76 3i8e s PHE 281 N 1.52 3.48 -0.28 5.38 0.40 0.09 -1.09 117.98 127.48 3i8e s PHE 281 Ca 0.03 0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.74 3i8e s PHE 281 Cb -0.23 -1.86 0.07 0.00 0.51 0.00 0.00 43.02 41.52 3i8e s PHE 281 CO 0.04 0.35 -0.06 1.41 0.70 0.00 0.00 175.22 177.67 3i8e s MET 282 N -3.41 2.00 -0.35 0.44 1.75 0.35 -1.31 119.30 118.76 3i8e s MET 282 Ca 0.39 -1.51 -0.24 0.00 -1.25 0.00 0.00 55.69 53.07 3i8e s MET 282 Cb -0.11 -2.99 0.01 0.00 2.84 0.00 0.00 34.83 34.58 3i8e s MET 282 CO 0.29 -0.68 0.83 -1.17 -0.65 0.00 0.00 175.02 173.64 3i8e s LEU 283 N 1.04 4.08 -0.19 4.11 1.98 0.56 -2.16 118.68 128.09 3i8e s LEU 283 Ca -0.03 0.51 0.01 0.00 -2.89 0.00 0.00 54.13 51.73 3i8e s LEU 283 Cb -0.20 -3.12 0.03 0.00 0.66 0.00 0.00 46.19 43.56 3i8e s LEU 283 CO -0.06 -0.74 -0.18 -0.76 -1.89 0.00 0.00 176.35 172.72 3i8e s LEU 284 N 3.19 2.23 -0.05 -0.68 1.43 -0.62 -0.65 118.68 123.52 3i8e s LEU 284 Ca 0.34 -0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 52.58 3i8e s LEU 284 Cb -0.13 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 3i8e s LEU 284 CO 0.16 -0.04 0.34 -1.48 0.23 0.00 0.00 176.35 175.57 3i8e s LEU 285 N 1.30 4.41 -0.15 1.79 2.34 -1.01 -0.46 118.68 126.91 3i8e s LEU 285 Ca 0.03 0.80 -0.22 0.00 0.06 0.00 0.00 54.13 54.80 3i8e s LEU 285 Cb -0.14 -2.46 -0.03 0.00 -0.56 0.00 0.00 46.19 43.00 3i8e s LEU 285 CO -0.12 0.29 0.66 -1.61 -1.06 0.00 0.00 176.35 174.52 3i8e s GLU 286 N -0.74 4.31 -0.01 1.48 2.02 0.17 -4.95 118.70 120.98 3i8e s GLU 286 Ca 0.21 0.73 -0.30 0.00 0.02 0.00 0.00 54.97 55.64 3i8e s GLU 286 Cb -0.15 -3.52 -0.03 0.00 0.10 0.00 0.00 34.13 30.53 3i8e s GLU 286 CO 0.10 -0.12 1.02 0.21 0.02 0.00 0.00 175.26 176.49 3i8e s LYS 287 N 1.47 4.51 0.00 1.61 2.20 -1.26 -1.98 119.74 126.29 3i8e s LYS 287 Ca 0.32 1.47 0.04 0.00 -0.36 0.00 0.00 55.97 57.45 3i8e s LYS 287 Cb -0.16 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.68 3i8e s LYS 287 CO 0.13 -0.14 -0.14 -2.00 -0.36 0.00 0.00 175.35 172.84 3i8e s GLU 288 N 1.23 1.07 -0.08 4.03 2.12 -1.11 -4.71 118.70 121.25 3i8e s GLU 288 Ca 0.52 -0.56 0.02 0.00 0.36 0.00 0.00 54.97 55.31 3i8e s GLU 288 Cb -0.22 -1.05 0.01 0.00 0.26 0.00 0.00 34.13 33.14 3i8e s GLU 288 CO 0.26 0.28 -0.12 -2.00 -0.54 0.00 0.00 175.26 173.14 3i8e s GLU 289 N -0.53 1.73 -0.00 4.30 2.12 -1.26 -0.27 118.70 124.79 3i8e s GLU 289 Ca 0.04 -0.41 0.21 0.00 0.36 0.00 0.00 54.97 55.18 3i8e s GLU 289 Cb -0.06 -1.48 -0.19 0.00 0.26 0.00 0.00 34.13 32.67 3i8e s GLU 289 CO -0.00 -0.02 0.91 0.94 -0.54 0.00 0.00 175.26 176.56 3i8e n GLN 290 N 3.99 0.04 0.00 4.30 -0.06 -1.26 -5.01 117.38 119.37 3i8e n GLN 290 Ca -0.21 -0.01 0.00 0.00 -2.00 0.00 0.00 57.00 54.78 3i8e n GLN 290 Cb 0.51 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.19 3i8e n GLN 290 CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 3i8e n MET 291 N -1.54 0.00 -3.24 3.69 2.81 -1.26 -4.85 117.12 112.73 3i8e n MET 291 Ca 0.04 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.68 3i8e n MET 291 Cb 0.34 -1.24 -0.07 0.00 -0.71 0.00 0.00 33.22 31.54 3i8e n MET 291 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3i8e n ASP 292 N 0.00 0.88 0.00 7.83 8.00 -1.26 -4.91 116.55 127.09 3i8e n ASP 292 Ca 0.00 -2.84 0.00 0.00 0.71 0.00 0.00 54.79 52.66 3i8e n ASP 292 Cb 0.00 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 3i8e n ASP 292 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i8e n GLY 293 N 1.30 -1.64 0.00 0.44 0.00 -1.26 -5.13 105.19 98.90 3i8e n GLY 293 Ca 0.23 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.83 3i8e n GLY 293 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i8e n THR 294 N 0.00 0.00 -4.29 2.61 -1.04 -1.26 -5.17 114.28 105.12 3i8e n THR 294 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.81 3i8e n THR 294 Cb 0.00 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.35 3i8e n THR 294 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i8e s VAL 295 N 0.40 0.66 0.00 12.58 -7.23 -1.26 -4.21 120.40 121.34 3i8e s VAL 295 Ca 0.00 -0.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 3i8e s VAL 295 Cb 0.00 -0.62 0.00 0.00 0.56 0.00 0.00 36.38 36.32 3i8e s VAL 295 CO 0.00 0.22 0.00 1.07 -0.31 0.00 0.00 175.10 176.08 3i8e n THR 296 N 3.51 0.00 -4.02 5.32 5.66 0.63 -4.62 114.28 120.76 3i8e n THR 296 Ca -0.20 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.66 3i8e n THR 296 Cb 0.54 -0.71 -0.14 0.00 -1.55 0.00 0.00 70.33 68.46 3i8e n THR 296 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3i8e s LEU 297 N 0.00 1.95 -0.20 1.09 1.02 -1.26 -2.76 118.68 118.52 3i8e s LEU 297 Ca 0.00 -0.05 -0.07 0.00 0.02 0.00 0.00 54.13 54.03 3i8e s LEU 297 Cb 0.00 -0.14 -0.20 0.00 0.02 0.00 0.00 46.19 45.86 3i8e s LEU 297 CO 0.00 0.03 0.04 1.17 0.02 0.00 0.00 176.35 177.60 3i8e n LYS 298 N 3.08 0.67 -2.23 1.70 3.00 -0.84 -4.81 118.16 118.73 3i8e n LYS 298 Ca -0.13 0.27 -0.01 0.00 -0.00 0.00 0.00 58.31 58.44 3i8e n LYS 298 Cb 0.59 -1.62 0.01 0.00 0.00 0.00 0.00 35.03 34.00 3i8e n LYS 298 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3i8e n ASP 299 N -3.64 -0.50 -3.39 3.14 2.03 -1.26 -5.02 116.55 107.92 3i8e n ASP 299 Ca -0.40 -1.24 0.02 0.00 0.52 0.00 0.00 54.79 53.69 3i8e n ASP 299 Cb 0.96 0.80 -0.03 0.00 -0.72 0.00 0.00 41.12 42.13 3i8e n ASP 299 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 3i8e s LEU 300 N 0.00 -1.19 0.19 -2.67 2.34 -1.26 0.45 118.68 116.54 3i8e s LEU 300 Ca 0.07 1.16 0.08 0.00 0.06 0.00 0.00 54.13 55.50 3i8e s LEU 300 Cb -0.01 2.16 -0.04 0.00 -0.56 0.00 0.00 46.19 47.74 3i8e s LEU 300 CO 0.01 -0.22 -0.04 0.00 -1.06 0.00 0.00 176.35 175.03 3i8e s ARG 301 N 2.86 2.23 -0.17 1.48 1.70 0.39 -4.90 118.95 122.54 3i8e s ARG 301 Ca 0.07 -1.23 -0.00 0.00 -0.47 0.00 0.00 55.73 54.09 3i8e s ARG 301 Cb -0.13 -2.24 0.00 0.00 -0.57 0.00 0.00 34.95 32.02 3i8e s ARG 301 CO -0.19 0.43 -0.15 0.08 -1.08 0.00 0.00 175.30 174.38 3i8e s VAL 302 N -1.82 2.57 -0.05 4.99 1.01 -1.26 -1.60 120.40 124.25 3i8e s VAL 302 Ca 0.27 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.50 3i8e s VAL 302 Cb -0.09 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 3i8e s VAL 302 CO 0.17 0.51 -0.15 -1.61 0.00 0.00 0.00 175.10 174.02 3i8e s GLU 303 N 1.04 2.49 -0.32 2.72 2.02 -0.92 -4.94 118.70 120.79 3i8e s GLU 303 Ca -0.01 -0.72 -0.23 0.00 0.02 0.00 0.00 54.97 54.03 3i8e s GLU 303 Cb -0.15 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.74 3i8e s GLU 303 CO -0.04 0.60 0.76 -1.17 0.02 0.00 0.00 175.26 175.44 3i8e s LEU 304 N -0.69 4.11 0.02 1.80 2.96 -1.26 -0.50 118.68 125.13 3i8e s LEU 304 Ca 0.11 0.53 0.15 0.00 -0.22 0.00 0.00 54.13 54.70 3i8e s LEU 304 Cb -0.11 -3.02 -0.17 0.00 0.50 0.00 0.00 46.19 43.39 3i8e s LEU 304 CO 0.00 -0.63 0.76 0.18 -1.32 0.00 0.00 176.35 175.35 3i8e n LEU 305 N 6.22 0.86 0.00 -0.68 4.77 -0.25 -4.91 117.00 123.00 3i8e n LEU 305 Ca 0.03 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3i8e n LEU 305 Cb 0.48 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3i8e n LEU 305 CO 0.51 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 3i8e n GLY 306 N 1.45 -0.36 2.91 -0.72 0.00 -1.24 -1.25 105.19 105.99 3i8e n GLY 306 Ca -0.12 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 3i8e n GLY 306 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i8e s GLU 307 N -0.66 0.06 0.24 1.61 2.12 -1.26 -2.88 118.70 117.93 3i8e s GLU 307 Ca 0.00 0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.53 3i8e s GLU 307 Cb 0.00 -0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.28 3i8e s GLU 307 CO 0.00 -0.07 0.04 0.95 -0.54 0.00 0.00 175.26 175.64 3i8e s THR 308 N 0.47 0.79 0.54 -1.70 -4.23 0.14 -4.94 115.64 106.71 3i8e s THR 308 Ca -0.04 -2.01 -0.21 0.00 -1.18 0.00 0.00 61.69 58.26 3i8e s THR 308 Cb -0.05 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.27 3i8e s THR 308 CO -0.02 -0.19 1.25 -0.44 -0.54 0.00 0.00 174.62 174.68 3i8e s SER 309 N -3.30 5.52 -0.74 3.99 0.01 -1.26 -4.50 113.70 113.41 3i8e s SER 309 Ca 0.32 2.49 -0.29 0.00 1.31 0.00 0.00 55.95 59.79 3i8e s SER 309 Cb 0.07 -2.61 -0.15 0.00 0.21 0.00 0.00 66.02 63.54 3i8e s SER 309 CO 0.11 -1.38 2.56 -0.38 0.41 0.00 0.00 173.24 174.55 3i8e n ILE 310 N -1.05 -0.04 -2.41 1.44 2.08 -1.26 -4.80 119.36 113.31 3i8e n ILE 310 Ca 0.11 -0.40 -0.42 0.00 0.56 0.00 0.00 62.75 62.59 3i8e n ILE 310 Cb 0.47 -1.65 -0.03 0.00 -0.75 0.00 0.00 39.64 37.69 3i8e n ILE 310 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i8e s ALA 311 N 10.60 3.48 -0.12 -1.39 0.00 -1.26 -3.86 121.76 129.19 3i8e s ALA 311 Ca 1.17 0.74 0.06 0.00 0.00 0.00 0.00 51.96 53.93 3i8e s ALA 311 Cb -0.72 -3.51 -0.12 0.00 0.00 0.00 0.00 23.12 18.77 3i8e s ALA 311 CO 0.38 -0.68 -0.04 -1.91 0.00 0.00 0.00 175.76 173.51 3i8e n GLU 312 N 4.83 1.34 -4.40 0.00 0.00 0.31 -4.68 120.64 118.03 3i8e n GLU 312 Ca 0.11 0.03 -0.22 0.00 0.00 0.00 0.00 57.16 57.09 3i8e n GLU 312 Cb 0.46 -1.28 -0.13 0.00 0.00 0.00 0.00 31.44 30.48 3i8e n GLU 312 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i8e s LEU 314 N -1.24 0.97 -0.28 0.00 2.96 -1.26 0.13 118.68 119.95 3i8e s LEU 314 Ca 0.03 0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 54.28 3i8e s LEU 314 Cb -0.08 0.75 0.10 0.00 0.50 0.00 0.00 46.19 47.46 3i8e s LEU 314 CO 0.02 -0.10 0.64 -0.89 -1.32 0.00 0.00 176.35 174.70 3i8e s THR 315 N 0.40 -0.52 0.26 3.68 2.01 -0.94 -4.82 115.64 115.71 3i8e s THR 315 Ca -0.02 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.70 3i8e s THR 315 Cb -0.04 -0.96 -0.09 0.00 0.01 0.00 0.00 72.50 71.42 3i8e s THR 315 CO -0.02 0.01 0.99 -0.47 -0.69 0.00 0.00 174.62 174.44 3i8e s TYR 316 N 2.29 3.84 0.00 4.92 5.04 -1.26 -0.02 117.35 132.15 3i8e s TYR 316 Ca -0.08 1.84 0.00 0.00 -2.44 0.00 0.00 57.07 56.40 3i8e s TYR 316 Cb -0.09 -3.07 0.00 0.00 0.35 0.00 0.00 41.96 39.15 3i8e s TYR 316 CO -0.19 0.13 0.00 1.28 -1.34 0.00 0.00 175.55 175.43 3i8e n LEU 317 N 1.31 0.00 0.00 6.97 4.77 0.14 -4.92 117.00 125.26 3i8e n LEU 317 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3i8e n LEU 317 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3i8e n LEU 317 CO 0.51 0.00 0.04 -0.67 -1.33 0.00 0.00 177.39 175.94 3i8e n ASP 318 N 0.00 0.00 -3.81 -1.43 4.64 -1.26 -4.85 116.55 109.84 3i8e n ASP 318 Ca 0.00 0.08 -0.30 0.00 -1.38 0.00 0.00 54.79 53.19 3i8e n ASP 318 Cb 0.00 0.00 -0.14 0.00 -1.04 0.00 0.00 41.12 39.94 3i8e n ASP 318 CO 0.00 0.00 0.00 0.20 -0.82 0.00 0.00 177.20 176.58 3i8e s ASN 319 N -1.29 3.99 0.00 1.67 0.01 -1.26 -4.77 114.94 113.29 3i8e s ASN 319 Ca 0.00 -2.54 0.00 0.00 -0.71 0.00 0.00 52.86 49.61 3i8e s ASN 319 Cb 0.00 -1.23 0.00 0.00 0.41 0.00 0.00 41.25 40.43 3i8e s ASN 319 CO 0.00 -0.29 0.00 0.61 -1.51 0.00 0.00 177.10 175.91 3i8e n GLY 320 N 3.68 2.48 3.67 0.66 0.00 -1.26 -4.85 105.19 109.58 3i8e n GLY 320 Ca 0.06 -0.01 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 3i8e n GLY 320 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i8e n VAL 321 N 0.00 0.67 -4.30 1.61 0.31 -1.26 -1.55 118.33 113.82 3i8e n VAL 321 Ca 0.00 -0.12 -0.28 0.00 -0.01 0.00 0.00 64.34 63.92 3i8e n VAL 321 Cb 0.00 -2.09 -0.17 0.00 -0.91 0.00 0.00 33.84 30.68 3i8e n VAL 321 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3i8e s VAL 322 N 4.32 1.44 -0.18 2.52 1.01 0.53 0.26 120.40 130.29 3i8e s VAL 322 Ca 0.91 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 62.12 3i8e s VAL 322 Cb -0.57 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3i8e s VAL 322 CO 0.47 0.43 0.53 0.12 0.00 0.00 0.00 175.10 176.66 3i8e s PHE 323 N 1.17 3.40 -0.32 5.22 5.36 0.96 0.47 117.98 134.24 3i8e s PHE 323 Ca -0.03 0.83 -0.07 0.00 -0.96 0.00 0.00 56.93 56.71 3i8e s PHE 323 Cb -0.14 -2.67 0.03 0.00 -0.34 0.00 0.00 43.02 39.89 3i8e s PHE 323 CO -0.04 -0.06 0.10 0.08 -1.46 0.00 0.00 175.22 173.84 3i8e s VAL 324 N 1.47 3.89 -0.47 3.12 1.01 0.64 -2.21 120.40 127.85 3i8e s VAL 324 Ca 0.26 -0.94 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 3i8e s VAL 324 Cb -0.15 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.14 3i8e s VAL 324 CO 0.10 -0.07 0.91 -0.83 0.00 0.00 0.00 175.10 175.21 3i8e s GLY 325 N 1.45 1.48 0.11 4.51 0.00 0.12 -1.96 107.32 113.03 3i8e s GLY 325 Ca 0.00 -0.86 0.05 0.00 0.00 0.00 0.00 44.72 43.91 3i8e s GLY 325 CO 0.03 2.01 0.06 -0.45 0.00 0.00 0.00 173.10 174.75 3i8e s SER 326 N 2.30 5.28 -0.06 1.64 0.15 -1.26 0.11 113.70 121.86 3i8e s SER 326 Ca 0.36 -0.13 0.03 0.00 0.70 0.00 0.00 55.95 56.91 3i8e s SER 326 Cb -0.10 -1.33 -0.06 0.00 -1.71 0.00 0.00 66.02 62.82 3i8e s SER 326 CO 0.25 0.14 -0.01 -1.14 1.20 0.00 0.00 173.24 173.68 3i8e n ARG 327 N 0.24 2.06 0.00 5.44 0.63 -1.25 -2.84 116.66 120.94 3i8e n ARG 327 Ca -0.09 0.01 0.12 0.00 -0.92 0.00 0.00 57.85 56.97 3i8e n ARG 327 Cb 0.53 -1.14 0.11 0.00 0.45 0.00 0.00 32.46 32.41 3i8e n ARG 327 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3i8e n LEU 328 N -2.38 2.06 0.00 6.15 4.32 -1.26 -3.96 117.00 121.92 3i8e n LEU 328 Ca -0.10 -0.72 -0.07 0.00 -0.02 0.00 0.00 56.01 55.10 3i8e n LEU 328 Cb 0.66 -0.02 -0.00 0.00 -1.62 0.00 0.00 43.42 42.44 3i8e n LEU 328 CO 0.10 0.37 0.18 0.61 -1.22 0.00 0.00 177.39 177.42 3i8e n GLY 329 N 1.38 2.09 3.69 -0.72 0.00 -1.26 -3.14 105.19 107.22 3i8e n GLY 329 Ca 0.11 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 3i8e n GLY 329 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i8e s ASP 330 N -2.15 6.89 1.06 1.61 1.01 -1.26 -4.56 116.67 119.26 3i8e s ASP 330 Ca 0.13 2.04 -0.12 0.00 0.71 0.00 0.00 52.55 55.30 3i8e s ASP 330 Cb -0.01 -2.56 0.21 0.00 1.01 0.00 0.00 42.92 41.57 3i8e s ASP 330 CO 0.09 -0.70 0.99 -1.20 0.21 0.00 0.00 175.17 174.56 3i8e n SER 331 N 5.47 -0.92 -3.52 0.27 7.64 -1.19 -4.72 113.62 116.66 3i8e n SER 331 Ca 0.13 0.11 -0.09 0.00 1.01 0.00 0.00 58.87 60.02 3i8e n SER 331 Cb 0.44 -1.33 -0.02 0.00 -1.01 0.00 0.00 64.21 62.29 3i8e n SER 331 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i8e s GLN 332 N -4.41 1.12 -0.14 1.43 -2.07 -0.83 -1.04 119.66 113.72 3i8e s GLN 332 Ca 0.67 -0.46 -0.03 0.00 -1.82 0.00 0.00 55.36 53.72 3i8e s GLN 332 Cb -0.24 0.49 -0.03 0.00 -1.09 0.00 0.00 33.01 32.15 3i8e s GLN 332 CO 0.62 -0.50 -0.04 -1.17 -1.32 0.00 0.00 175.29 172.89 3i8e s LEU 333 N -2.67 3.27 -0.02 2.60 2.96 0.45 -0.26 118.68 125.01 3i8e s LEU 333 Ca 0.04 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3i8e s LEU 333 Cb -0.01 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.91 3i8e s LEU 333 CO -0.09 0.21 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.43 3i8e s VAL 334 N 0.12 0.34 -0.18 1.68 1.01 0.18 -1.47 120.40 122.07 3i8e s VAL 334 Ca -0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 3i8e s VAL 334 Cb -0.14 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 3i8e s VAL 334 CO 0.03 0.14 0.13 -0.75 0.00 0.00 0.00 175.10 174.65 3i8e s LYS 335 N 0.47 4.01 -0.50 2.72 2.47 -0.26 0.20 119.74 128.86 3i8e s LYS 335 Ca -0.05 -0.21 -0.18 0.00 -1.56 0.00 0.00 55.97 53.97 3i8e s LYS 335 Cb -0.08 -3.36 0.07 0.00 -1.46 0.00 0.00 37.83 33.00 3i8e s LYS 335 CO -0.01 0.40 0.54 -0.51 0.16 0.00 0.00 175.35 175.94 3i8e s LEU 336 N 0.05 5.29 0.81 5.43 1.43 -0.60 -1.36 118.68 129.74 3i8e s LEU 336 Ca 0.09 -1.14 -0.10 0.00 -1.03 0.00 0.00 54.13 51.95 3i8e s LEU 336 Cb -0.11 -2.33 0.11 0.00 0.03 0.00 0.00 46.19 43.89 3i8e s LEU 336 CO -0.01 -0.82 1.14 0.20 0.23 0.00 0.00 176.35 177.10 3i8e s ASN 337 N 2.78 4.23 0.10 2.29 0.02 -0.04 -4.64 114.94 119.68 3i8e s ASN 337 Ca 0.10 0.42 0.18 0.00 -1.02 0.00 0.00 52.86 52.55 3i8e s ASN 337 Cb -0.22 -0.84 -0.10 0.00 0.02 0.00 0.00 41.25 40.12 3i8e s ASN 337 CO 0.09 -2.02 0.89 0.58 0.02 0.00 0.00 177.10 176.67 3i8e h VAL 338 N -1.00 0.37 -3.93 1.60 2.07 -1.98 -3.47 116.25 109.91 3i8e h VAL 338 Ca -0.44 -1.73 -0.69 0.00 0.82 0.00 0.00 66.70 64.66 3i8e h VAL 338 Cb 1.29 1.90 -0.23 0.00 -1.52 0.00 0.00 31.29 32.73 3i8e h VAL 338 CO 0.54 0.21 -0.76 -1.81 0.02 0.00 0.00 177.57 175.77 3i8e s ASP 339 N -5.68 4.12 0.73 0.57 1.01 -1.26 -5.03 116.67 111.12 3i8e s ASP 339 Ca -0.02 -0.18 -0.11 0.00 0.71 0.00 0.00 52.55 52.95 3i8e s ASP 339 Cb 0.09 -0.95 0.03 0.00 1.01 0.00 0.00 42.92 43.10 3i8e s ASP 339 CO 0.80 0.34 1.07 -0.44 0.21 0.00 0.00 175.17 177.15 3i8e s SER 340 N -0.67 5.07 0.00 0.27 0.01 -1.26 -4.53 113.70 112.59 3i8e s SER 340 Ca 0.10 1.57 0.00 0.00 1.31 0.00 0.00 55.95 58.93 3i8e s SER 340 Cb -0.11 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.72 3i8e s SER 340 CO 0.01 -1.63 0.00 -0.46 0.41 0.00 0.00 173.24 171.57 3i8e n ASN 341 N -3.25 0.00 -4.61 2.44 0.23 -1.24 -4.88 115.26 103.96 3i8e n ASN 341 Ca 0.08 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.70 3i8e n ASN 341 Cb 0.54 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.21 3i8e n ASN 341 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3i8e s GLU 342 N 3.99 3.83 0.00 -3.83 0.41 -1.26 -3.54 118.70 118.30 3i8e s GLU 342 Ca 0.00 0.65 0.00 0.00 -0.41 0.00 0.00 54.97 55.21 3i8e s GLU 342 Cb 0.00 -3.83 0.00 0.00 -1.78 0.00 0.00 34.13 28.52 3i8e s GLU 342 CO 0.00 -1.11 0.00 1.04 -0.49 0.00 0.00 175.26 174.70 3i8e n GLN 343 N 7.18 0.00 -2.38 1.61 6.02 -1.26 -4.55 117.38 124.00 3i8e n GLN 343 Ca 0.10 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.08 3i8e n GLN 343 Cb 0.48 -0.05 0.00 0.00 1.02 0.00 0.00 30.24 31.70 3i8e n GLN 343 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i8e n GLY 344 N -2.01 0.75 3.34 1.08 0.00 -1.23 -5.04 105.19 102.08 3i8e n GLY 344 Ca 0.00 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 3i8e n GLY 344 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i8e s SER 345 N -3.02 5.59 0.00 1.61 0.15 -1.26 -4.81 113.70 111.96 3i8e s SER 345 Ca 0.01 -1.06 0.27 0.00 0.70 0.00 0.00 55.95 55.88 3i8e s SER 345 Cb -0.01 -1.97 1.58 0.00 -1.71 0.00 0.00 66.02 63.91 3i8e s SER 345 CO 0.03 -0.37 1.94 -1.22 1.20 0.00 0.00 173.24 174.82 3i8e n TYR 346 N 4.93 0.00 -3.99 3.44 4.02 -0.38 -3.62 117.16 121.56 3i8e n TYR 346 Ca -0.12 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.42 3i8e n TYR 346 Cb 0.45 -0.02 -0.10 0.00 -0.02 0.00 0.00 39.34 39.65 3i8e n TYR 346 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3i8e s VAL 347 N -2.04 4.73 -0.12 -0.72 1.01 -1.18 -0.86 120.40 121.22 3i8e s VAL 347 Ca 0.39 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.32 3i8e s VAL 347 Cb 0.18 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.45 3i8e s VAL 347 CO 0.31 0.45 -0.09 -0.69 0.00 0.00 0.00 175.10 175.08 3i8e s VAL 348 N 0.51 1.15 0.20 2.92 1.01 -0.46 -4.91 120.40 120.81 3i8e s VAL 348 Ca 0.03 -0.38 -0.31 0.00 0.00 0.00 0.00 61.98 61.32 3i8e s VAL 348 Cb -0.13 -1.14 -0.10 0.00 0.00 0.00 0.00 36.38 35.01 3i8e s VAL 348 CO 0.01 0.39 1.56 0.00 0.00 0.00 0.00 175.10 177.05 3i8e s ALA 349 N 1.58 3.76 -0.18 5.51 0.00 -1.26 -1.10 121.76 130.07 3i8e s ALA 349 Ca 0.04 1.40 -0.16 0.00 0.00 0.00 0.00 51.96 53.24 3i8e s ALA 349 Cb -0.13 -3.62 -0.07 0.00 0.00 0.00 0.00 23.12 19.30 3i8e s ALA 349 CO -0.08 -0.80 -0.32 -1.33 0.00 0.00 0.00 175.76 173.22 3i8e n MET 350 N 3.45 0.50 -4.03 0.00 2.81 -0.54 -4.90 117.12 114.41 3i8e n MET 350 Ca 0.12 0.21 -0.12 0.00 -1.81 0.00 0.00 57.70 56.09 3i8e n MET 350 Cb 0.38 -1.37 -0.12 0.00 -0.71 0.00 0.00 33.22 31.40 3i8e n MET 350 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3i8e s GLU 351 N -2.75 0.37 -0.27 0.03 2.12 -1.06 -4.99 118.70 112.15 3i8e s GLU 351 Ca -0.29 -0.47 0.01 0.00 0.36 0.00 0.00 54.97 54.58 3i8e s GLU 351 Cb 0.06 -0.17 0.07 0.00 0.26 0.00 0.00 34.13 34.36 3i8e s GLU 351 CO 0.41 0.03 -0.01 0.99 -0.54 0.00 0.00 175.26 176.14 3i8e s THR 352 N -0.91 1.62 -0.11 -1.70 2.01 -1.26 -0.41 115.64 114.89 3i8e s THR 352 Ca -0.07 -1.51 -0.22 0.00 0.31 0.00 0.00 61.69 60.20 3i8e s THR 352 Cb -0.07 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 3i8e s THR 352 CO -0.00 -0.29 0.66 -0.36 -0.69 0.00 0.00 174.62 173.94 3i8e s PHE 353 N 1.31 3.52 -0.39 4.92 0.40 -0.21 -4.99 117.98 122.53 3i8e s PHE 353 Ca -0.00 1.13 -0.27 0.00 -0.60 0.00 0.00 56.93 57.18 3i8e s PHE 353 Cb -0.19 -2.78 -0.03 0.00 0.51 0.00 0.00 43.02 40.53 3i8e s PHE 353 CO -0.09 0.03 2.00 0.95 0.70 0.00 0.00 175.22 178.81 3i8e s THR 354 N 1.08 3.27 -0.29 0.64 -4.23 -1.26 -3.17 115.64 111.69 3i8e s THR 354 Ca 0.34 0.24 -0.09 0.00 -1.18 0.00 0.00 61.69 61.00 3i8e s THR 354 Cb -0.17 -3.47 -0.02 0.00 1.34 0.00 0.00 72.50 70.18 3i8e s THR 354 CO 0.15 -0.36 0.13 0.21 -0.54 0.00 0.00 174.62 174.21 3i8e s ASN 355 N 8.03 5.49 0.00 3.99 2.47 -1.26 -4.94 114.94 128.73 3i8e s ASN 355 Ca 0.84 -0.34 0.18 0.00 0.42 0.00 0.00 52.86 53.97 3i8e s ASN 355 Cb -0.22 -2.00 1.09 0.00 -1.45 0.00 0.00 41.25 38.67 3i8e s ASN 355 CO 0.30 -0.12 1.55 0.18 -3.72 0.00 0.00 177.10 175.29 3i8e n LEU 356 N 4.98 0.00 0.00 3.21 4.77 -1.26 -4.54 117.00 124.15 3i8e n LEU 356 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3i8e n LEU 356 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3i8e n LEU 356 CO 0.33 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3i8e n GLY 357 N 0.45 0.01 3.53 -0.72 0.00 -1.26 -3.97 105.19 103.23 3i8e n GLY 357 Ca 0.14 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 3i8e n GLY 357 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i8e n PRO 358 N -0.35 0.82 -2.48 1.61 -0.02 -1.20 -3.30 135.00 130.07 3i8e n PRO 358 Ca 0.00 0.05 -0.42 0.00 -2.02 0.00 0.00 63.50 61.11 3i8e n PRO 358 Cb 0.00 -2.86 -0.03 0.00 -0.02 0.00 0.00 33.50 30.60 3i8e n PRO 358 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i8e s ILE 359 N 10.81 3.88 -0.05 4.25 1.01 -0.98 -3.08 121.20 137.04 3i8e s ILE 359 Ca 1.09 0.76 -0.10 0.00 0.00 0.00 0.00 60.65 62.40 3i8e s ILE 359 Cb -0.52 -4.59 -0.30 0.00 0.01 0.00 0.00 42.46 37.05 3i8e s ILE 359 CO 0.34 -1.29 0.66 0.58 0.00 0.00 0.00 174.94 175.24 3i8e h VAL 360 N 6.26 0.93 -1.90 2.92 2.07 -1.72 -3.40 116.25 121.41 3i8e h VAL 360 Ca -0.26 -2.52 0.02 0.00 0.82 0.00 0.00 66.70 64.75 3i8e h VAL 360 Cb 1.07 2.74 -0.20 0.00 -1.52 0.00 0.00 31.29 33.39 3i8e h VAL 360 CO 1.19 0.86 0.37 -0.62 0.02 0.00 0.00 177.57 179.39 3i8e s ASP 361 N -7.25 -0.50 0.27 0.57 3.68 -1.25 -4.55 116.67 107.63 3i8e s ASP 361 Ca -0.16 0.47 -0.20 0.00 2.13 0.00 0.00 52.55 54.80 3i8e s ASP 361 Cb 0.06 0.43 0.02 0.00 -1.45 0.00 0.00 42.92 41.97 3i8e s ASP 361 CO 0.85 -0.52 0.67 0.00 0.13 0.00 0.00 175.17 176.30 3i8e s MET 362 N -1.50 1.71 0.10 4.34 0.23 -1.26 -0.07 119.30 122.85 3i8e s MET 362 Ca -0.05 -1.01 -0.15 0.00 -1.03 0.00 0.00 55.69 53.45 3i8e s MET 362 Cb -0.00 0.58 0.03 0.00 -1.53 0.00 0.00 34.83 33.91 3i8e s MET 362 CO 0.03 -0.77 0.37 0.00 -2.03 0.00 0.00 175.02 172.62 3i8e s VAL 364 N -3.51 5.12 -0.03 0.00 1.01 -1.26 -1.84 120.40 119.90 3i8e s VAL 364 Ca 0.01 0.73 -0.00 0.00 0.00 0.00 0.00 61.98 62.72 3i8e s VAL 364 Cb 0.02 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.66 3i8e s VAL 364 CO -0.10 0.12 0.03 -0.69 0.00 0.00 0.00 175.10 174.46 3i8e s VAL 365 N 2.20 -0.01 0.05 2.92 1.01 0.02 -4.97 120.40 121.62 3i8e s VAL 365 Ca 0.18 0.22 -0.33 0.00 0.00 0.00 0.00 61.98 62.06 3i8e s VAL 365 Cb -0.16 -0.14 -0.18 0.00 0.00 0.00 0.00 36.38 35.90 3i8e s VAL 365 CO 0.10 0.12 1.43 0.44 0.00 0.00 0.00 175.10 177.18 3i8e h ASP 366 N 7.47 -0.91 0.00 3.32 5.19 -1.80 0.40 116.42 130.08 3i8e h ASP 366 Ca -0.40 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 3i8e h ASP 366 Cb 1.12 0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.87 3i8e h ASP 366 CO 0.43 -0.59 0.00 0.18 -3.12 0.00 0.00 179.24 176.14 3i8e n LEU 367 N -5.52 0.70 0.00 1.55 4.77 -1.26 -4.07 117.00 113.17 3i8e n LEU 367 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3i8e n LEU 367 Cb 0.43 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 3i8e n LEU 367 CO 0.36 -0.35 0.22 -0.62 -1.33 0.00 0.00 177.39 175.67 3i8e n GLU 368 N -2.00 0.12 -3.91 3.23 -0.58 -1.26 -5.03 120.64 111.21 3i8e n GLU 368 Ca 0.00 -0.52 -0.30 0.00 -0.42 0.00 0.00 57.16 55.92 3i8e n GLU 368 Cb 0.00 -0.78 -0.05 0.00 -0.57 0.00 0.00 31.44 30.03 3i8e n GLU 368 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3i8e n ARG 369 N -0.09 -1.64 0.00 3.49 1.74 -1.26 -4.92 116.66 113.99 3i8e n ARG 369 Ca 0.00 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 3i8e n ARG 369 Cb 0.18 -4.72 0.00 0.00 -1.02 0.00 0.00 32.46 26.91 3i8e n ARG 369 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3i8e n GLN 370 N -3.64 0.00 0.00 5.56 6.02 -1.26 -5.06 117.38 118.99 3i8e n GLN 370 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 3i8e n GLN 370 Cb 0.47 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.73 3i8e n GLN 370 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i8e n GLY 371 N 5.00 0.00 3.74 1.08 0.00 -1.21 -5.08 105.19 108.71 3i8e n GLY 371 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3i8e n GLY 371 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3i8e s GLN 372 N -1.50 2.44 -0.08 1.61 1.03 -1.26 -4.81 119.66 117.09 3i8e s GLN 372 Ca 0.00 1.64 0.02 0.00 0.04 0.00 0.00 55.36 57.06 3i8e s GLN 372 Cb 0.00 -1.88 -0.02 0.00 0.03 0.00 0.00 33.01 31.14 3i8e s GLN 372 CO 0.00 -1.57 -0.14 0.20 -2.54 0.00 0.00 175.29 171.24 3i8e s GLY 373 N -2.18 1.53 0.45 2.60 0.00 -1.22 -4.48 107.32 104.03 3i8e s GLY 373 Ca 0.72 -0.94 -0.10 0.00 0.00 0.00 0.00 44.72 44.39 3i8e s GLY 373 CO 0.43 -0.53 0.82 1.20 0.00 0.00 0.00 173.10 175.02 3i8e s GLN 374 N -0.27 3.74 -0.06 2.90 -1.52 0.13 -4.52 119.66 120.05 3i8e s GLN 374 Ca 0.02 0.50 0.03 0.00 -1.95 0.00 0.00 55.36 53.96 3i8e s GLN 374 Cb -0.13 -2.33 -0.03 0.00 -0.22 0.00 0.00 33.01 30.31 3i8e s GLN 374 CO 0.03 -0.15 -0.13 -1.17 -0.25 0.00 0.00 175.29 173.62 3i8e s LEU 375 N -4.18 2.80 -0.36 2.90 2.96 -0.66 -0.80 118.68 121.34 3i8e s LEU 375 Ca 0.52 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 54.28 3i8e s LEU 375 Cb -0.10 -1.58 0.11 0.00 0.50 0.00 0.00 46.19 45.11 3i8e s LEU 375 CO 0.36 0.33 0.09 -0.69 -1.32 0.00 0.00 176.35 175.12 3i8e s VAL 376 N -0.60 2.11 -0.12 1.68 1.01 -0.76 -0.25 120.40 123.46 3i8e s VAL 376 Ca 0.09 -2.36 -0.15 0.00 0.00 0.00 0.00 61.98 59.56 3i8e s VAL 376 Cb -0.11 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 3i8e s VAL 376 CO 0.01 -0.65 0.36 0.42 0.00 0.00 0.00 175.10 175.25 3i8e s THR 377 N 0.82 5.24 -0.34 3.92 -4.23 -0.45 -3.20 115.64 117.40 3i8e s THR 377 Ca 0.12 0.71 -0.29 0.00 -1.18 0.00 0.00 61.69 61.05 3i8e s THR 377 Cb -0.20 -3.70 -0.00 0.00 1.34 0.00 0.00 72.50 69.94 3i8e s THR 377 CO -0.09 0.40 1.52 0.00 -0.54 0.00 0.00 174.62 175.91 3i8e s SER 379 N 4.27 4.28 0.78 0.00 0.01 0.61 -2.02 113.70 121.63 3i8e s SER 379 Ca 0.66 -1.57 0.00 0.00 1.31 0.00 0.00 55.95 56.35 3i8e s SER 379 Cb -0.18 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.62 3i8e s SER 379 CO 0.31 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.61 3i8e n GLY 380 N -1.42 -1.21 3.60 3.44 0.00 -1.18 -2.33 105.19 106.09 3i8e n GLY 380 Ca -0.16 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 3i8e n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8e s ALA 381 N -1.92 -1.95 0.00 4.61 0.00 -1.19 -4.66 121.76 116.65 3i8e s ALA 381 Ca 0.00 1.70 0.00 0.00 0.00 0.00 0.00 51.96 53.66 3i8e s ALA 381 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.11 3i8e s ALA 381 CO 0.00 -0.28 0.00 1.19 0.00 0.00 0.00 175.76 176.67 3i8e n PHE 382 N 1.35 0.00 0.26 0.00 0.99 -1.22 -2.29 117.46 116.55 3i8e n PHE 382 Ca -0.11 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.46 3i8e n PHE 382 Cb 0.57 0.06 0.67 0.00 -1.00 0.00 0.00 39.48 39.78 3i8e n PHE 382 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.76 178.33 3i8e h LYS 383 N 0.00 0.00 -0.01 -1.08 2.10 -1.76 -0.02 116.57 115.81 3i8e h LYS 383 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i8e h LYS 383 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3i8e h LYS 383 CO 0.00 0.00 -0.25 0.39 -2.00 0.00 0.00 179.45 177.59 3i8e n GLU 384 N -2.54 0.88 -1.54 0.07 -0.58 -0.97 -4.01 120.64 111.95 3i8e n GLU 384 Ca -0.02 -0.52 -0.39 0.00 -0.42 0.00 0.00 57.16 55.82 3i8e n GLU 384 Cb 0.30 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 29.71 3i8e n GLU 384 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i8e n GLY 385 N 1.33 -0.89 3.56 0.62 0.00 -0.02 -4.34 105.19 105.45 3i8e n GLY 385 Ca 0.12 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 3i8e n GLY 385 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i8e s SER 386 N -1.13 -0.27 0.02 1.61 1.04 -0.98 -1.84 113.70 112.15 3i8e s SER 386 Ca 0.70 -0.04 -0.01 0.00 0.48 0.00 0.00 55.95 57.08 3i8e s SER 386 Cb -0.46 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 3i8e s SER 386 CO 0.52 -0.52 0.14 -0.76 0.98 0.00 0.00 173.24 173.60 3i8e s LEU 387 N -2.46 4.12 -0.14 2.42 1.43 -1.12 -0.28 118.68 122.64 3i8e s LEU 387 Ca 0.07 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 3i8e s LEU 387 Cb -0.01 -2.53 0.01 0.00 0.03 0.00 0.00 46.19 43.70 3i8e s LEU 387 CO -0.07 0.24 -0.21 -0.13 0.23 0.00 0.00 176.35 176.41 3i8e s ARG 388 N -2.02 2.96 -0.49 1.70 1.81 -0.12 -0.91 118.95 121.88 3i8e s ARG 388 Ca 0.27 -0.83 -0.16 0.00 -1.72 0.00 0.00 55.73 53.29 3i8e s ARG 388 Cb -0.12 -2.41 0.09 0.00 -0.45 0.00 0.00 34.95 32.05 3i8e s ARG 388 CO 0.19 -0.04 0.43 0.42 -0.68 0.00 0.00 175.30 175.62 3i8e s ILE 389 N 0.88 5.22 -0.34 1.52 1.09 -1.26 -1.34 121.20 126.98 3i8e s ILE 389 Ca -0.06 -1.16 -0.17 0.00 -1.10 0.00 0.00 60.65 58.16 3i8e s ILE 389 Cb -0.15 -4.18 -0.01 0.00 -1.06 0.00 0.00 42.46 37.06 3i8e s ILE 389 CO -0.03 -0.66 0.48 -0.63 -0.10 0.00 0.00 174.94 174.00 3i8e s ILE 390 N 1.66 5.06 -0.17 2.92 1.01 0.66 -1.91 121.20 130.42 3i8e s ILE 390 Ca 0.04 0.34 0.01 0.00 0.00 0.00 0.00 60.65 61.04 3i8e s ILE 390 Cb -0.26 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.32 3i8e s ILE 390 CO 0.06 -0.15 -0.20 -0.60 0.00 0.00 0.00 174.94 174.05 3i8e s ARG 391 N 2.30 2.92 0.06 2.79 3.00 0.01 -1.66 118.95 128.37 3i8e s ARG 391 Ca 0.17 -0.80 -0.28 0.00 -1.00 0.00 0.00 55.73 53.81 3i8e s ARG 391 Cb -0.16 -2.50 -0.05 0.00 0.00 0.00 0.00 34.95 32.24 3i8e s ARG 391 CO 0.12 -0.18 0.90 1.21 0.00 0.00 0.00 175.30 177.35 3i8e s ASN 392 N 1.24 7.37 0.00 -2.12 2.47 -1.26 -0.19 114.94 122.45 3i8e s ASN 392 Ca 0.03 1.64 0.00 0.00 0.42 0.00 0.00 52.86 54.95 3i8e s ASN 392 Cb -0.13 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 3i8e s ASN 392 CO -0.11 -0.09 0.00 0.61 -3.72 0.00 0.00 177.10 173.79 3i8e n GLY 393 N 2.48 -0.52 3.77 1.21 0.00 0.27 -4.93 105.19 107.46 3i8e n GLY 393 Ca 0.02 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 3i8e n GLY 393 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8e s ILE 394 N -3.03 4.76 0.35 -0.61 1.01 -0.94 -4.73 121.20 118.00 3i8e s ILE 394 Ca 0.00 1.39 0.09 0.00 0.00 0.00 0.00 60.65 62.14 3i8e s ILE 394 Cb 0.00 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.41 3i8e s ILE 394 CO 0.00 0.45 -0.08 -0.83 0.00 0.00 0.00 174.94 174.47 3i8e s GLY 395 N -0.48 2.20 -0.08 6.18 0.00 -1.26 -0.01 107.32 113.87 3i8e s GLY 395 Ca 0.33 -2.09 0.01 0.00 0.00 0.00 0.00 44.72 42.97 3i8e s GLY 395 CO 0.20 -2.03 -0.07 -0.26 0.00 0.00 0.00 173.10 170.94 3i8e s ILE 396 N -2.61 3.66 -0.42 0.90 -5.25 -1.26 -2.73 121.20 113.50 3i8e s ILE 396 Ca 0.33 -0.49 -0.18 0.00 -0.99 0.00 0.00 60.65 59.32 3i8e s ILE 396 Cb 0.02 -2.50 0.02 0.00 2.95 0.00 0.00 42.46 42.95 3i8e s ILE 396 CO 0.17 0.59 0.48 -1.00 -1.79 0.00 0.00 174.94 173.38 3i8e s HIS 397 N -0.69 3.15 0.04 1.37 3.76 -0.88 -5.04 115.29 117.00 3i8e s HIS 397 Ca 0.10 -0.27 -0.10 0.00 -0.15 0.00 0.00 55.06 54.65 3i8e s HIS 397 Cb -0.11 -2.97 -0.05 0.00 1.11 0.00 0.00 32.58 30.55 3i8e s HIS 397 CO 0.02 -0.71 0.36 -1.83 -0.85 0.00 0.00 174.74 171.73 3i8e s GLU 398 N 2.28 3.73 0.01 1.40 4.04 -1.26 -3.14 118.70 125.76 3i8e s GLU 398 Ca 0.14 0.14 -0.04 0.00 0.04 0.00 0.00 54.97 55.26 3i8e s GLU 398 Cb -0.16 -3.05 -0.02 0.00 0.02 0.00 0.00 34.13 30.92 3i8e s GLU 398 CO 0.15 0.61 -0.08 0.72 -1.84 0.00 0.00 175.26 174.82 3i8e n HIS 399 N 1.11 0.00 -4.25 4.83 8.25 -0.36 -4.97 115.22 119.84 3i8e n HIS 399 Ca -0.10 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.14 3i8e n HIS 399 Cb 0.52 -0.14 -0.12 0.00 1.12 0.00 0.00 29.99 31.38 3i8e n HIS 399 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i8e s ALA 400 N -2.17 1.56 -0.43 -1.41 0.00 -1.26 -5.04 121.76 113.00 3i8e s ALA 400 Ca -0.07 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 50.77 3i8e s ALA 400 Cb 0.01 -0.19 0.16 0.00 0.00 0.00 0.00 23.12 23.10 3i8e s ALA 400 CO 0.10 0.29 0.31 0.45 0.00 0.00 0.00 175.76 176.90 3i8e s SER 401 N -1.83 2.49 -0.09 0.00 0.15 -1.26 -4.16 113.70 109.00 3i8e s SER 401 Ca 0.03 -2.88 -0.18 0.00 0.70 0.00 0.00 55.95 53.63 3i8e s SER 401 Cb -0.10 -0.64 -0.05 0.00 -1.71 0.00 0.00 66.02 63.52 3i8e s SER 401 CO 0.03 -0.21 0.46 -0.63 1.20 0.00 0.00 173.24 174.10 3i8e s ILE 402 N 0.18 5.14 -1.14 6.45 1.09 -1.25 -4.86 121.20 126.81 3i8e s ILE 402 Ca 0.26 0.93 -0.17 0.00 -1.10 0.00 0.00 60.65 60.58 3i8e s ILE 402 Cb -0.08 -3.80 0.13 0.00 -1.06 0.00 0.00 42.46 37.65 3i8e s ILE 402 CO -0.12 0.38 1.43 -0.62 -0.10 0.00 0.00 174.94 175.92 3i8e s ASP 403 N 0.25 6.86 -0.36 3.58 -1.08 -1.26 -1.16 116.67 123.51 3i8e s ASP 403 Ca 0.25 -2.48 -0.00 0.00 -0.52 0.00 0.00 52.55 49.80 3i8e s ASP 403 Cb -0.15 -2.46 0.09 0.00 -1.46 0.00 0.00 42.92 38.94 3i8e s ASP 403 CO 0.11 -1.00 0.10 -0.76 0.52 0.00 0.00 175.17 174.14 3i8e s LEU 404 N 2.81 4.71 -0.11 -1.34 1.43 -1.26 -4.77 118.68 120.15 3i8e s LEU 404 Ca 0.43 -1.87 -0.29 0.00 -1.03 0.00 0.00 54.13 51.38 3i8e s LEU 404 Cb -0.01 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 3i8e s LEU 404 CO -0.02 -0.41 0.97 -2.84 0.23 0.00 0.00 176.35 174.29 3i8e s PRO 405 N 1.09 4.41 0.00 1.29 0.02 -1.26 -2.82 135.00 137.73 3i8e s PRO 405 Ca 0.05 1.33 0.00 0.00 0.02 0.00 0.00 61.00 62.40 3i8e s PRO 405 Cb -0.21 -3.54 0.00 0.00 0.02 0.00 0.00 34.50 30.77 3i8e s PRO 405 CO -0.05 -0.30 0.00 0.41 -0.33 0.00 0.00 177.00 176.73 3i8e n GLY 406 N 3.14 0.70 3.80 0.52 0.00 0.04 -4.89 105.19 108.50 3i8e n GLY 406 Ca 0.08 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 3i8e n GLY 406 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8e s ILE 407 N -1.80 4.46 -0.03 -0.61 1.01 -1.26 -2.75 121.20 120.22 3i8e s ILE 407 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 60.65 62.16 3i8e s ILE 407 Cb 0.00 -4.00 -0.00 0.00 0.01 0.00 0.00 42.46 38.47 3i8e s ILE 407 CO 0.00 0.36 0.13 0.29 0.00 0.00 0.00 174.94 175.73 3i8e n LYS 408 N 1.16 5.06 0.00 2.79 4.76 0.36 -4.89 118.16 127.39 3i8e n LYS 408 Ca -0.04 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 3i8e n LYS 408 Cb 0.50 -0.63 0.00 0.00 -1.84 0.00 0.00 35.03 33.06 3i8e n LYS 408 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i8e n GLY 409 N 0.78 0.67 3.61 0.72 0.00 -1.23 -4.82 105.19 104.93 3i8e n GLY 409 Ca 0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 3i8e n GLY 409 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i8e s LEU 410 N 0.00 -0.55 0.02 0.99 0.05 -1.26 -1.91 118.68 116.02 3i8e s LEU 410 Ca 0.00 0.96 0.01 0.00 0.05 0.00 0.00 54.13 55.15 3i8e s LEU 410 Cb 0.00 2.12 -0.02 0.00 -2.05 0.00 0.00 46.19 46.24 3i8e s LEU 410 CO 0.00 -0.25 -0.05 0.26 -0.55 0.00 0.00 176.35 175.76 3i8e s TRP 411 N -0.06 0.39 0.27 3.48 0.51 -1.22 -4.59 118.94 117.72 3i8e s TRP 411 Ca 0.00 -0.35 -0.30 0.00 -2.12 0.00 0.00 56.10 53.33 3i8e s TRP 411 Cb -0.04 -0.25 -0.11 0.00 -0.81 0.00 0.00 33.47 32.26 3i8e s TRP 411 CO -0.01 -0.09 1.52 -2.14 -0.51 0.00 0.00 176.95 175.72 3i8e s PRO 412 N -1.03 4.19 0.02 4.98 0.02 -1.26 -4.10 135.00 137.82 3i8e s PRO 412 Ca -0.08 2.45 -0.12 0.00 0.02 0.00 0.00 61.00 63.26 3i8e s PRO 412 Cb -0.07 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.40 3i8e s PRO 412 CO -0.00 -0.53 0.26 -1.17 -0.33 0.00 0.00 177.00 175.22 3i8e s LEU 413 N -0.43 1.08 0.01 -5.54 2.96 -1.15 -4.31 118.68 111.31 3i8e s LEU 413 Ca 0.61 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 3i8e s LEU 413 Cb -0.45 1.13 -0.01 0.00 0.50 0.00 0.00 46.19 47.36 3i8e s LEU 413 CO 0.46 -0.51 -0.03 0.00 -1.32 0.00 0.00 176.35 174.95 3i8e s ARG 414 N -1.94 0.22 -0.29 1.98 1.70 -1.26 -2.15 118.95 117.22 3i8e s ARG 414 Ca -0.10 -0.30 0.11 0.00 -0.47 0.00 0.00 55.73 54.97 3i8e s ARG 414 Cb -0.03 -0.06 0.59 0.00 -0.57 0.00 0.00 34.95 34.87 3i8e s ARG 414 CO 0.00 0.01 1.59 0.45 -1.08 0.00 0.00 175.30 176.27 3i8e n SER 415 N 2.42 3.63 -3.65 -2.89 2.88 -1.26 -4.87 113.62 109.87 3i8e n SER 415 Ca -0.17 -3.40 -0.01 0.00 -1.33 0.00 0.00 58.87 53.95 3i8e n SER 415 Cb 0.58 -0.66 -0.04 0.00 -0.75 0.00 0.00 64.21 63.33 3i8e n SER 415 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3i8e s ASP 416 N -1.85 -1.11 0.38 -3.46 2.15 -1.26 -5.04 116.67 106.48 3i8e s ASP 416 Ca 0.48 1.55 0.26 0.00 0.43 0.00 0.00 52.55 55.28 3i8e s ASP 416 Cb 0.41 2.24 1.36 0.00 -0.30 0.00 0.00 42.92 46.62 3i8e s ASP 416 CO 0.07 -0.22 1.81 -0.65 -0.17 0.00 0.00 175.17 176.01 3i8e h PRO 417 N 7.97 0.00 0.00 4.34 0.11 -1.97 -3.29 132.00 139.16 3i8e h PRO 417 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3i8e h PRO 417 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3i8e h PRO 417 CO 0.10 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.98 3i8e n ASN 418 N -2.43 0.00 -4.72 -2.05 3.02 -1.26 -4.85 115.26 102.97 3i8e n ASN 418 Ca -0.01 0.65 -0.42 0.00 -0.03 0.00 0.00 54.58 54.77 3i8e n ASN 418 Cb 0.09 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 3i8e n ASN 418 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i8e s ARG 419 N -1.63 4.38 0.00 3.52 1.70 -1.24 -4.91 118.95 120.78 3i8e s ARG 419 Ca 0.00 1.95 0.29 0.00 -0.47 0.00 0.00 55.73 57.50 3i8e s ARG 419 Cb 0.00 -3.28 1.24 0.00 -0.57 0.00 0.00 34.95 32.35 3i8e s ARG 419 CO 0.00 -0.32 1.85 0.39 -1.08 0.00 0.00 175.30 176.14 3i8e n GLU 420 N 3.66 1.45 -2.33 3.89 1.02 -1.26 -4.55 120.64 122.52 3i8e n GLU 420 Ca 0.09 -0.71 -0.40 0.00 -0.02 0.00 0.00 57.16 56.12 3i8e n GLU 420 Cb 0.44 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.36 3i8e n GLU 420 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3i8e n THR 421 N -0.16 3.46 -1.27 2.62 -2.24 -1.26 -4.84 114.28 110.60 3i8e n THR 421 Ca 0.20 -3.51 -0.35 0.00 -2.27 0.00 0.00 64.05 58.11 3i8e n THR 421 Cb 0.30 -2.35 -0.13 0.00 -2.10 0.00 0.00 70.33 66.05 3i8e n THR 421 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3i8e n TYR 422 N 9.09 0.49 -0.03 4.78 4.02 -1.24 -4.32 117.16 129.95 3i8e n TYR 422 Ca 0.49 0.33 0.06 0.00 -0.01 0.00 0.00 57.90 58.77 3i8e n TYR 422 Cb 0.45 -2.02 0.25 0.00 -0.02 0.00 0.00 39.34 38.00 3i8e n TYR 422 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3i8e n ASP 423 N 8.85 3.64 -3.75 7.72 5.68 -1.15 -3.75 116.55 133.79 3i8e n ASP 423 Ca 0.56 -2.40 -0.11 0.00 -0.50 0.00 0.00 54.79 52.34 3i8e n ASP 423 Cb 0.02 -0.52 -0.07 0.00 -1.14 0.00 0.00 41.12 39.41 3i8e n ASP 423 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3i8e s THR 424 N -1.88 0.09 -0.20 2.12 2.01 -0.91 -2.14 115.64 114.72 3i8e s THR 424 Ca 0.35 -0.75 -0.10 0.00 0.31 0.00 0.00 61.69 61.51 3i8e s THR 424 Cb 0.24 -1.05 0.07 0.00 0.01 0.00 0.00 72.50 71.78 3i8e s THR 424 CO 0.15 -0.41 0.48 -0.22 -0.69 0.00 0.00 174.62 173.93 3i8e s LEU 425 N -2.32 -0.43 -0.17 4.42 2.96 0.66 -2.92 118.68 120.87 3i8e s LEU 425 Ca -0.02 1.07 -0.05 0.00 -0.22 0.00 0.00 54.13 54.91 3i8e s LEU 425 Cb 0.01 1.60 -0.03 0.00 0.50 0.00 0.00 46.19 48.26 3i8e s LEU 425 CO -0.06 -0.21 0.01 -0.69 -1.32 0.00 0.00 176.35 174.07 3i8e s VAL 426 N 1.78 4.22 0.14 1.68 1.01 -1.26 -2.21 120.40 125.76 3i8e s VAL 426 Ca -0.08 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.73 3i8e s VAL 426 Cb -0.09 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 3i8e s VAL 426 CO -0.14 0.47 0.01 -1.48 0.00 0.00 0.00 175.10 173.95 3i8e s LEU 427 N 0.49 3.42 -0.08 3.92 0.05 -1.25 -3.46 118.68 121.77 3i8e s LEU 427 Ca -0.01 -0.28 -0.23 0.00 0.05 0.00 0.00 54.13 53.67 3i8e s LEU 427 Cb -0.14 -2.10 -0.04 0.00 -2.05 0.00 0.00 46.19 41.87 3i8e s LEU 427 CO 0.02 0.12 0.68 -0.55 -0.55 0.00 0.00 176.35 176.07 3i8e s SER 428 N -2.69 6.93 0.52 1.48 0.15 -0.80 -4.03 113.70 115.26 3i8e s SER 428 Ca 0.27 1.12 0.04 0.00 0.70 0.00 0.00 55.95 58.09 3i8e s SER 428 Cb -0.10 -2.40 0.04 0.00 -1.71 0.00 0.00 66.02 61.85 3i8e s SER 428 CO 0.19 -0.12 0.34 0.33 1.20 0.00 0.00 173.24 175.18 3i8e n PHE 429 N 3.89 -0.41 -1.38 3.44 -0.00 -0.90 0.13 117.46 122.23 3i8e n PHE 429 Ca -0.02 -2.24 -0.32 0.00 -0.00 0.00 0.00 57.45 54.87 3i8e n PHE 429 Cb 0.51 -0.41 -0.09 0.00 -0.00 0.00 0.00 39.48 39.49 3i8e n PHE 429 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3i8e n VAL 430 N -1.66 0.98 -1.00 -2.13 0.31 -1.11 -3.08 118.33 110.64 3i8e n VAL 430 Ca -0.04 -0.96 0.00 0.00 -0.01 0.00 0.00 64.34 63.33 3i8e n VAL 430 Cb 0.60 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 3i8e n VAL 430 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i8e n GLY 431 N 5.41 0.42 1.92 2.92 0.00 -1.26 -5.00 105.19 109.59 3i8e n GLY 431 Ca 0.45 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.32 3i8e n GLY 431 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i8e n GLN 432 N -2.21 0.88 -3.68 1.61 7.27 -1.18 -3.48 117.38 116.60 3i8e n GLN 432 Ca 0.00 -1.97 -0.12 0.00 0.07 0.00 0.00 57.00 54.99 3i8e n GLN 432 Cb 0.09 0.93 -0.12 0.00 2.41 0.00 0.00 30.24 33.55 3i8e n GLN 432 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 3i8e s THR 433 N -2.31 -0.36 -0.05 1.69 2.01 -1.17 -2.13 115.64 113.32 3i8e s THR 433 Ca 0.09 0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.34 3i8e s THR 433 Cb 0.00 -0.51 -0.02 0.00 0.01 0.00 0.00 72.50 71.98 3i8e s THR 433 CO 0.06 0.09 -0.21 -0.13 -0.69 0.00 0.00 174.62 173.74 3i8e s ARG 434 N 2.14 2.51 0.34 4.92 1.81 -1.26 -4.51 118.95 124.91 3i8e s ARG 434 Ca -0.03 -0.83 -0.26 0.00 -1.72 0.00 0.00 55.73 52.90 3i8e s ARG 434 Cb -0.11 -2.24 -0.09 0.00 -0.45 0.00 0.00 34.95 32.05 3i8e s ARG 434 CO -0.10 0.48 1.04 0.08 -0.68 0.00 0.00 175.30 176.12 3i8e s VAL 435 N -0.40 3.76 -0.39 3.52 1.01 -1.25 -3.88 120.40 122.77 3i8e s VAL 435 Ca 0.04 1.50 0.01 0.00 0.00 0.00 0.00 61.98 63.53 3i8e s VAL 435 Cb -0.12 -3.85 0.13 0.00 0.00 0.00 0.00 36.38 32.54 3i8e s VAL 435 CO 0.02 0.16 0.20 -0.76 0.00 0.00 0.00 175.10 174.71 3i8e s LEU 436 N -2.13 2.14 0.01 3.92 1.43 -0.94 -3.98 118.68 119.13 3i8e s LEU 436 Ca 0.52 -2.26 -0.03 0.00 -1.03 0.00 0.00 54.13 51.33 3i8e s LEU 436 Cb -0.24 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 3i8e s LEU 436 CO 0.31 -0.32 0.20 -0.32 0.23 0.00 0.00 176.35 176.46 3i8e s MET 437 N 0.86 3.46 -0.21 1.70 1.75 -1.01 -0.25 119.30 125.61 3i8e s MET 437 Ca 0.16 -0.30 -0.04 0.00 -1.25 0.00 0.00 55.69 54.26 3i8e s MET 437 Cb -0.22 -3.08 -0.01 0.00 2.84 0.00 0.00 34.83 34.36 3i8e s MET 437 CO -0.06 0.65 -0.05 -0.51 -0.65 0.00 0.00 175.02 174.41 3i8e s LEU 438 N -2.03 2.92 0.00 4.11 1.43 -0.91 -3.26 118.68 120.95 3i8e s LEU 438 Ca 0.29 -0.36 0.17 0.00 -1.03 0.00 0.00 54.13 53.20 3i8e s LEU 438 Cb -0.13 -1.74 0.99 0.00 0.03 0.00 0.00 46.19 45.35 3i8e s LEU 438 CO 0.20 0.01 1.47 -3.20 0.23 0.00 0.00 176.35 175.06 3i8e n ASN 439 N 4.60 0.00 0.00 2.29 5.15 -1.23 -4.90 115.26 121.17 3i8e n ASN 439 Ca -0.18 -0.38 0.00 0.00 -0.60 0.00 0.00 54.58 53.42 3i8e n ASN 439 Cb 0.51 -0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 3i8e n ASN 439 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i8e n GLY 440 N 0.12 0.85 0.85 8.20 0.00 -1.26 -4.75 105.19 109.20 3i8e n GLY 440 Ca 0.12 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.97 3i8e n GLY 440 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i8e n GLU 441 N 0.00 2.84 -3.42 1.61 1.02 -1.26 -3.85 120.64 117.58 3i8e n GLU 441 Ca 0.00 -2.24 -0.38 0.00 -0.02 0.00 0.00 57.16 54.52 3i8e n GLU 441 Cb 0.00 -1.37 -0.08 0.00 -0.02 0.00 0.00 31.44 29.98 3i8e n GLU 441 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3i8e s GLU 442 N -1.03 4.14 -0.35 3.49 2.02 -1.26 -5.06 118.70 120.65 3i8e s GLU 442 Ca 0.31 0.12 -0.27 0.00 0.02 0.00 0.00 54.97 55.15 3i8e s GLU 442 Cb 0.16 -3.55 0.01 0.00 0.10 0.00 0.00 34.13 30.85 3i8e s GLU 442 CO 0.21 -0.06 0.98 0.08 0.02 0.00 0.00 175.26 176.48 3i8e s VAL 443 N 1.39 4.56 -0.16 2.63 1.01 -1.26 -3.52 120.40 125.05 3i8e s VAL 443 Ca 0.17 1.40 -0.00 0.00 0.00 0.00 0.00 61.98 63.55 3i8e s VAL 443 Cb -0.15 -4.36 0.03 0.00 0.00 0.00 0.00 36.38 31.91 3i8e s VAL 443 CO 0.08 -0.51 -0.08 -0.70 0.00 0.00 0.00 175.10 173.89 3i8e s GLU 444 N 3.54 1.68 -0.42 2.72 2.12 -1.20 -5.07 118.70 122.07 3i8e s GLU 444 Ca 0.41 -0.51 -0.07 0.00 0.36 0.00 0.00 54.97 55.15 3i8e s GLU 444 Cb -0.12 -1.99 0.09 0.00 0.26 0.00 0.00 34.13 32.37 3i8e s GLU 444 CO 0.17 -0.36 0.24 -1.83 -0.54 0.00 0.00 175.26 172.94 3i8e s GLU 445 N 1.59 2.44 0.00 4.30 4.04 -1.26 -2.40 118.70 127.42 3i8e s GLU 445 Ca 0.02 -1.57 0.00 0.00 0.04 0.00 0.00 54.97 53.46 3i8e s GLU 445 Cb -0.14 -3.72 0.00 0.00 0.02 0.00 0.00 34.13 30.29 3i8e s GLU 445 CO -0.08 -1.00 0.00 0.25 -1.84 0.00 0.00 175.26 172.59 3i8e n THR 446 N 4.83 0.00 -4.17 1.83 -2.24 -1.26 -4.98 114.28 108.28 3i8e n THR 446 Ca -0.08 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.40 3i8e n THR 446 Cb 0.42 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.56 3i8e n THR 446 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3i8e s GLU 447 N 1.39 2.34 -0.08 -0.78 -1.05 -1.26 -3.97 118.70 115.28 3i8e s GLU 447 Ca 0.00 -0.93 0.03 0.00 -0.15 0.00 0.00 54.97 53.91 3i8e s GLU 447 Cb 0.00 -2.42 0.01 0.00 -0.44 0.00 0.00 34.13 31.28 3i8e s GLU 447 CO 0.00 0.52 -0.15 -1.17 0.95 0.00 0.00 175.26 175.41 3i8e s LEU 448 N -2.27 1.74 0.21 1.83 2.96 -1.26 -5.06 118.68 116.83 3i8e s LEU 448 Ca 0.24 -0.37 -0.31 0.00 -0.22 0.00 0.00 54.13 53.46 3i8e s LEU 448 Cb -0.11 -0.99 -0.11 0.00 0.50 0.00 0.00 46.19 45.48 3i8e s LEU 448 CO 0.16 0.06 1.58 -0.04 -1.32 0.00 0.00 176.35 176.78 3i8e s MET 449 N 0.66 4.19 0.00 1.98 -1.94 -1.26 -2.24 119.30 120.69 3i8e s MET 449 Ca -0.14 2.43 0.00 0.00 -1.71 0.00 0.00 55.69 56.26 3i8e s MET 449 Cb -0.16 -3.11 0.00 0.00 2.01 0.00 0.00 34.83 33.57 3i8e s MET 449 CO 0.04 -0.60 0.00 0.41 -0.01 0.00 0.00 175.02 174.86 3i8e n GLY 450 N 3.30 0.60 3.09 -0.03 0.00 -1.26 -4.24 105.19 106.65 3i8e n GLY 450 Ca 0.12 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3i8e n GLY 450 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i8e s PHE 451 N -2.00 2.19 0.07 1.61 0.40 -0.95 -4.41 117.98 114.89 3i8e s PHE 451 Ca 0.00 -1.05 -0.28 0.00 -0.60 0.00 0.00 56.93 55.00 3i8e s PHE 451 Cb 0.00 -1.54 -0.05 0.00 0.51 0.00 0.00 43.02 41.93 3i8e s PHE 451 CO 0.00 -0.52 0.88 0.14 0.70 0.00 0.00 175.22 176.42 3i8e s VAL 452 N 0.93 4.63 -0.40 -0.44 -7.23 -1.26 -4.74 120.40 111.89 3i8e s VAL 452 Ca -0.07 1.88 0.08 0.00 -1.81 0.00 0.00 61.98 62.05 3i8e s VAL 452 Cb -0.15 -4.23 0.20 0.00 0.56 0.00 0.00 36.38 32.75 3i8e s VAL 452 CO -0.02 0.32 1.15 0.47 -0.31 0.00 0.00 175.10 176.72 3i8e n ASP 453 N 2.89 2.58 0.00 4.85 9.92 -1.26 -4.47 116.55 131.05 3i8e n ASP 453 Ca 0.01 -2.19 0.00 0.00 -0.53 0.00 0.00 54.79 52.07 3i8e n ASP 453 Cb 0.50 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.80 3i8e n ASP 453 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3i8e n ASP 454 N -0.18 0.78 -5.00 -2.24 3.85 -1.26 -3.65 116.55 108.85 3i8e n ASP 454 Ca 0.08 -1.10 -0.20 0.00 -0.71 0.00 0.00 54.79 52.86 3i8e n ASP 454 Cb 0.42 0.00 0.03 0.00 -1.35 0.00 0.00 41.12 40.22 3i8e n ASP 454 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3i8e s GLN 455 N -0.10 2.43 -0.27 0.11 -1.52 -1.26 -4.73 119.66 114.32 3i8e s GLN 455 Ca 0.00 -1.60 -0.07 0.00 -1.95 0.00 0.00 55.36 51.74 3i8e s GLN 455 Cb 0.00 -2.56 -0.01 0.00 -0.22 0.00 0.00 33.01 30.22 3i8e s GLN 455 CO 0.00 -0.64 0.07 -1.14 -0.25 0.00 0.00 175.29 173.34 3i8e s GLN 456 N -4.49 3.36 0.31 2.91 0.74 -1.23 -3.05 119.66 118.21 3i8e s GLN 456 Ca 0.55 -0.68 -0.29 0.00 0.05 0.00 0.00 55.36 55.00 3i8e s GLN 456 Cb -0.06 -3.34 -0.10 0.00 1.10 0.00 0.00 33.01 30.61 3i8e s GLN 456 CO 0.34 -0.32 1.13 0.99 -0.55 0.00 0.00 175.29 176.88 3i8e s THR 457 N 1.55 3.37 -0.17 -0.34 2.01 -1.26 -2.81 115.64 118.00 3i8e s THR 457 Ca 0.05 1.33 0.04 0.00 0.31 0.00 0.00 61.69 63.42 3i8e s THR 457 Cb -0.16 -3.83 -0.13 0.00 0.01 0.00 0.00 72.50 68.39 3i8e s THR 457 CO 0.03 0.28 -0.10 0.49 -0.69 0.00 0.00 174.62 174.63 3i8e n PHE 458 N 0.95 0.00 -3.90 4.92 3.72 0.16 -4.77 117.46 118.54 3i8e n PHE 458 Ca -0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 3i8e n PHE 458 Cb 0.45 -0.69 -0.08 0.00 -0.94 0.00 0.00 39.48 38.21 3i8e n PHE 458 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3i8e s PHE 459 N -2.35 0.17 -0.43 1.38 5.36 -1.17 -4.97 117.98 115.98 3i8e s PHE 459 Ca -0.19 -0.51 0.04 0.00 -0.96 0.00 0.00 56.93 55.30 3i8e s PHE 459 Cb 0.06 -0.11 0.28 0.00 -0.34 0.00 0.00 43.02 42.91 3i8e s PHE 459 CO 0.46 -0.44 1.09 0.00 -1.46 0.00 0.00 175.22 174.87 3i8e n GLY 461 N 1.09 1.74 3.39 0.00 0.00 -1.26 -4.59 105.19 105.56 3i8e n GLY 461 Ca 0.05 -2.11 -0.45 0.00 0.00 0.00 0.00 46.02 43.51 3i8e n GLY 461 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i8e s ASN 462 N -1.20 7.05 -0.41 1.61 0.02 -1.26 -4.17 114.94 116.58 3i8e s ASN 462 Ca 0.03 -3.03 -0.29 0.00 -1.02 0.00 0.00 52.86 48.55 3i8e s ASN 462 Cb -0.00 -2.30 0.02 0.00 0.02 0.00 0.00 41.25 38.99 3i8e s ASN 462 CO 0.02 -0.59 1.16 0.68 0.02 0.00 0.00 177.10 178.40 3i8e s VAL 463 N 0.43 4.25 1.14 1.60 -7.23 -1.26 -4.40 120.40 114.92 3i8e s VAL 463 Ca 0.32 1.34 -0.17 0.00 -1.81 0.00 0.00 61.98 61.66 3i8e s VAL 463 Cb -0.07 -4.47 0.26 0.00 0.56 0.00 0.00 36.38 32.66 3i8e s VAL 463 CO -0.06 -0.79 1.11 0.00 -0.31 0.00 0.00 175.10 175.06 3i8e s ALA 464 N 4.33 0.77 -0.10 1.32 0.00 -1.24 -3.65 121.76 123.18 3i8e s ALA 464 Ca 0.49 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.64 3i8e s ALA 464 Cb -0.10 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.08 3i8e s ALA 464 CO 0.27 -3.34 0.09 0.72 0.00 0.00 0.00 175.76 173.49 3i8e n HIS 465 N -4.56 -0.20 -3.34 0.00 8.25 -1.26 -4.54 115.22 109.56 3i8e n HIS 465 Ca 0.11 0.07 -0.18 0.00 -0.26 0.00 0.00 57.72 57.47 3i8e n HIS 465 Cb 0.59 -1.56 0.01 0.00 1.12 0.00 0.00 29.99 30.15 3i8e n HIS 465 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3i8e n GLN 466 N -0.95 -1.74 -3.52 -0.41 6.02 -1.26 -4.66 117.38 110.86 3i8e n GLN 466 Ca -0.01 1.39 -0.16 0.00 -0.01 0.00 0.00 57.00 58.21 3i8e n GLN 466 Cb 0.51 -3.90 -0.05 0.00 1.02 0.00 0.00 30.24 27.81 3i8e n GLN 466 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3i8e s GLN 467 N -3.39 1.01 -0.10 -1.09 -0.21 -1.24 -3.30 119.66 111.34 3i8e s GLN 467 Ca 0.14 0.17 0.01 0.00 0.02 0.00 0.00 55.36 55.70 3i8e s GLN 467 Cb -0.02 0.48 0.02 0.00 1.00 0.00 0.00 33.01 34.48 3i8e s GLN 467 CO 0.83 -0.33 -0.12 -0.51 -2.12 0.00 0.00 175.29 173.03 3i8e s LEU 468 N -1.34 1.55 -0.08 2.90 1.43 0.14 -4.22 118.68 119.06 3i8e s LEU 468 Ca -0.08 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 52.61 3i8e s LEU 468 Cb -0.00 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 3i8e s LEU 468 CO 0.07 -0.03 0.11 -0.51 0.23 0.00 0.00 176.35 176.22 3i8e s ILE 469 N 1.17 5.13 -0.37 -0.59 2.07 -1.26 -1.29 121.20 126.06 3i8e s ILE 469 Ca -0.04 -0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.17 3i8e s ILE 469 Cb -0.14 -3.26 0.15 0.00 0.13 0.00 0.00 42.46 39.33 3i8e s ILE 469 CO -0.03 0.53 0.29 -1.58 -1.91 0.00 0.00 174.94 172.23 3i8e s GLN 470 N -1.26 0.64 0.09 3.50 0.74 -1.22 -4.27 119.66 117.87 3i8e s GLN 470 Ca 0.18 -1.33 -0.30 0.00 0.05 0.00 0.00 55.36 53.96 3i8e s GLN 470 Cb -0.12 -1.14 -0.06 0.00 1.10 0.00 0.00 33.01 32.80 3i8e s GLN 470 CO 0.08 -1.24 1.12 0.42 -0.55 0.00 0.00 175.29 175.11 3i8e s ILE 471 N 1.00 4.16 0.17 -2.34 1.01 -1.04 -2.36 121.20 121.80 3i8e s ILE 471 Ca 0.20 1.65 -0.07 0.00 0.00 0.00 0.00 60.65 62.43 3i8e s ILE 471 Cb -0.16 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 3i8e s ILE 471 CO -0.03 0.18 0.25 0.28 0.00 0.00 0.00 174.94 175.62 3i8e s THR 472 N 0.59 0.05 0.00 2.92 -1.32 -0.95 0.36 115.64 117.30 3i8e s THR 472 Ca 0.54 -1.57 -0.00 0.00 -1.21 0.00 0.00 61.69 59.45 3i8e s THR 472 Cb -0.28 -2.02 -0.00 0.00 -1.51 0.00 0.00 72.50 68.69 3i8e s THR 472 CO 0.31 -0.25 0.00 -1.20 -2.21 0.00 0.00 174.62 171.28 3i8e n SER 473 N -0.22 -0.00 0.00 8.08 7.64 -1.12 -3.73 113.62 124.26 3i8e n SER 473 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 3i8e n SER 473 Cb 0.63 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 3i8e n SER 473 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i8e n ALA 474 N -2.53 0.00 -2.01 -0.43 0.00 -1.26 -0.64 120.51 113.64 3i8e n ALA 474 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3i8e n ALA 474 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 3i8e n ALA 474 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i8e s SER 475 N -1.00 6.10 -0.46 0.00 1.04 -1.24 -4.42 113.70 113.71 3i8e s SER 475 Ca 0.00 1.19 -0.09 0.00 0.48 0.00 0.00 55.95 57.52 3i8e s SER 475 Cb 0.00 -2.28 0.11 0.00 0.10 0.00 0.00 66.02 63.95 3i8e s SER 475 CO 0.00 -0.85 0.32 0.54 0.98 0.00 0.00 173.24 174.23 3i8e s VAL 476 N -3.06 4.21 1.10 5.02 0.11 -0.84 -2.23 120.40 124.71 3i8e s VAL 476 Ca 0.53 -1.69 -0.18 0.00 -2.93 0.00 0.00 61.98 57.72 3i8e s VAL 476 Cb -0.11 -3.72 0.25 0.00 -1.53 0.00 0.00 36.38 31.26 3i8e s VAL 476 CO 0.50 -0.71 1.18 -0.13 -3.33 0.00 0.00 175.10 172.62 3i8e s ARG 477 N 1.38 -0.41 -0.14 1.54 0.52 -0.99 -2.13 118.95 118.71 3i8e s ARG 477 Ca 0.05 -0.15 -0.18 0.00 -0.52 0.00 0.00 55.73 54.92 3i8e s ARG 477 Cb -0.25 -1.70 0.05 0.00 0.52 0.00 0.00 34.95 33.56 3i8e s ARG 477 CO -0.00 -3.16 0.48 -1.17 0.02 0.00 0.00 175.30 171.48 3i8e s LEU 478 N -6.51 0.15 0.13 2.53 2.96 -1.12 -3.45 118.68 113.37 3i8e s LEU 478 Ca 0.71 0.82 0.04 0.00 -0.22 0.00 0.00 54.13 55.49 3i8e s LEU 478 Cb -0.08 1.72 -0.04 0.00 0.50 0.00 0.00 46.19 48.29 3i8e s LEU 478 CO 0.55 -0.26 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.52 3i8e s VAL 479 N -0.14 1.13 0.06 1.68 1.01 -0.41 -2.68 120.40 121.05 3i8e s VAL 479 Ca -0.03 -1.91 0.00 0.00 0.00 0.00 0.00 61.98 60.03 3i8e s VAL 479 Cb -0.03 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.66 3i8e s VAL 479 CO 0.02 -0.66 0.01 -1.20 0.00 0.00 0.00 175.10 173.27 3i8e n SER 480 N 0.08 1.91 -0.59 3.32 7.64 -1.26 0.26 113.62 124.99 3i8e n SER 480 Ca -0.12 -1.24 0.07 0.00 1.01 0.00 0.00 58.87 58.59 3i8e n SER 480 Cb 0.59 0.03 0.09 0.00 -1.01 0.00 0.00 64.21 63.91 3i8e n SER 480 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i8e n GLN 481 N -0.27 1.34 -0.08 1.43 1.13 -1.21 -4.10 117.38 115.63 3i8e n GLN 481 Ca -0.02 -1.50 -0.08 0.00 -1.94 0.00 0.00 57.00 53.45 3i8e n GLN 481 Cb 0.07 -1.27 -0.03 0.00 0.11 0.00 0.00 30.24 29.12 3i8e n GLN 481 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3i8e n GLU 482 N 0.73 0.49 -0.08 -1.09 -0.58 -1.26 -4.88 120.64 113.96 3i8e n GLU 482 Ca 0.09 0.19 -0.23 0.00 -0.42 0.00 0.00 57.16 56.80 3i8e n GLU 482 Cb 0.36 -1.35 -0.12 0.00 -0.57 0.00 0.00 31.44 29.76 3i8e n GLU 482 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3i8e n PRO 483 N -4.34 0.63 -2.11 3.49 -0.05 -1.26 -5.08 135.00 126.29 3i8e n PRO 483 Ca -0.13 0.42 -0.01 0.00 -0.05 0.00 0.00 63.50 63.73 3i8e n PRO 483 Cb 0.48 -1.69 0.00 0.00 -0.05 0.00 0.00 33.50 32.24 3i8e n PRO 483 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 175.50 176.62 3i8e n LYS 484 N -4.07 -0.70 0.00 0.54 3.00 -1.26 -5.01 118.16 110.65 3i8e n LYS 484 Ca -0.36 1.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.96 3i8e n LYS 484 Cb 0.83 -3.23 0.00 0.00 0.00 0.00 0.00 35.03 32.63 3i8e n LYS 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i8e n ALA 485 N -0.98 0.00 -3.12 3.14 0.00 -1.26 -4.72 120.51 113.58 3i8e n ALA 485 Ca 0.02 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.01 3i8e n ALA 485 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 3i8e n ALA 485 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3i8e s LEU 486 N 0.00 5.84 -0.02 0.00 2.96 -1.26 -4.09 118.68 122.11 3i8e s LEU 486 Ca 0.00 -2.30 -0.22 0.00 -0.22 0.00 0.00 54.13 51.39 3i8e s LEU 486 Cb 0.00 -2.31 -0.23 0.00 0.50 0.00 0.00 46.19 44.15 3i8e s LEU 486 CO 0.00 -0.85 1.08 0.58 -1.32 0.00 0.00 176.35 175.85 3i8e h VAL 487 N 5.36 1.48 -3.61 1.68 2.07 -1.83 -3.48 116.25 117.92 3i8e h VAL 487 Ca 0.11 -1.96 -0.16 0.00 0.82 0.00 0.00 66.70 65.51 3i8e h VAL 487 Cb 1.03 2.62 -0.04 0.00 -1.52 0.00 0.00 31.29 33.39 3i8e h VAL 487 CO 0.95 0.55 0.02 -0.55 0.02 0.00 0.00 177.57 178.57 3i8e s SER 488 N -6.50 0.51 -0.06 0.57 0.15 -1.25 -4.77 113.70 102.36 3i8e s SER 488 Ca -0.15 -1.33 -0.31 0.00 0.70 0.00 0.00 55.95 54.86 3i8e s SER 488 Cb 0.02 0.75 0.07 0.00 -1.71 0.00 0.00 66.02 65.16 3i8e s SER 488 CO 0.78 -1.48 0.69 -0.70 1.20 0.00 0.00 173.24 173.72 3i8e s GLU 489 N -2.70 1.04 -0.01 5.44 2.12 -1.26 -2.79 118.70 120.54 3i8e s GLU 489 Ca 0.24 0.30 0.07 0.00 0.36 0.00 0.00 54.97 55.93 3i8e s GLU 489 Cb -0.03 0.49 -0.02 0.00 0.26 0.00 0.00 34.13 34.84 3i8e s GLU 489 CO 0.16 -0.32 -0.22 -0.46 -0.54 0.00 0.00 175.26 173.89 3i8e s TRP 490 N -1.11 1.97 0.01 5.30 -0.00 -0.90 -4.81 118.94 119.40 3i8e s TRP 490 Ca -0.10 -0.37 0.01 0.00 -0.00 0.00 0.00 56.10 55.64 3i8e s TRP 490 Cb -0.00 -1.25 -0.01 0.00 -0.00 0.00 0.00 33.47 32.21 3i8e s TRP 490 CO 0.09 -0.01 -0.05 0.21 -0.00 0.00 0.00 176.95 177.20 3i8e s LYS 491 N -0.63 0.38 -0.12 5.86 2.47 -1.26 -1.99 119.74 124.45 3i8e s LYS 491 Ca 0.09 -0.28 -0.29 0.00 -1.56 0.00 0.00 55.97 53.92 3i8e s LYS 491 Cb -0.09 -0.30 -0.03 0.00 -1.46 0.00 0.00 37.83 35.95 3i8e s LYS 491 CO -0.00 0.08 1.35 -2.00 0.16 0.00 0.00 175.35 174.93 3i8e s GLU 492 N -0.43 4.24 0.00 4.03 -6.30 -1.26 -4.88 118.70 114.10 3i8e s GLU 492 Ca -0.01 1.79 -0.01 0.00 -2.50 0.00 0.00 54.97 54.24 3i8e s GLU 492 Cb -0.04 -3.77 -0.06 0.00 0.00 0.00 0.00 34.13 30.26 3i8e s GLU 492 CO -0.00 -0.70 1.21 -2.30 0.02 0.00 0.00 175.26 173.49 3i8e n PRO 493 N 6.46 0.49 0.00 4.30 -0.02 -1.26 -1.13 135.00 143.84 3i8e n PRO 493 Ca 0.14 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 3i8e n PRO 493 Cb 0.44 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 3i8e n PRO 493 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i8e n GLN 494 N 2.70 0.00 -0.77 -0.52 1.13 -1.26 -5.01 117.38 113.65 3i8e n GLN 494 Ca 0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 3i8e n GLN 494 Cb 0.23 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.58 3i8e n GLN 494 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i8e n ALA 495 N 0.00 0.00 -1.79 -1.58 0.00 -0.29 -5.07 120.51 111.79 3i8e n ALA 495 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3i8e n ALA 495 Cb 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 19.45 19.20 3i8e n ALA 495 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i8e s LYS 496 N -0.89 4.35 0.16 0.00 1.02 -1.26 -5.04 119.74 118.08 3i8e s LYS 496 Ca 0.00 1.38 -0.29 0.00 0.02 0.00 0.00 55.97 57.08 3i8e s LYS 496 Cb 0.00 -2.60 -0.07 0.00 -0.52 0.00 0.00 37.83 34.64 3i8e s LYS 496 CO 0.00 0.05 0.92 -0.80 -0.92 0.00 0.00 175.35 174.60 3i8e s ASN 497 N -1.67 7.53 0.35 2.83 0.01 -1.26 -4.68 114.94 118.04 3i8e s ASN 497 Ca 0.55 1.82 -0.27 0.00 -0.71 0.00 0.00 52.86 54.25 3i8e s ASN 497 Cb -0.19 -2.58 -0.09 0.00 0.41 0.00 0.00 41.25 38.80 3i8e s ASN 497 CO 0.24 0.05 1.09 -0.63 -1.51 0.00 0.00 177.10 176.34 3i8e s ILE 498 N -0.55 3.52 0.00 0.60 1.01 0.18 -4.67 121.20 121.29 3i8e s ILE 498 Ca 0.43 1.34 0.00 0.00 0.00 0.00 0.00 60.65 62.42 3i8e s ILE 498 Cb -0.24 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.45 3i8e s ILE 498 CO 0.30 0.18 0.00 -1.54 0.00 0.00 0.00 174.94 173.87 3i8e n SER 499 N 0.51 0.00 -4.87 3.58 3.41 0.21 -4.69 113.62 111.77 3i8e n SER 499 Ca 0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.28 3i8e n SER 499 Cb 0.47 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 3i8e n SER 499 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i8e s VAL 500 N -0.23 5.14 0.02 -3.33 1.01 -1.15 -4.93 120.40 116.92 3i8e s VAL 500 Ca 0.00 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.43 3i8e s VAL 500 Cb 0.00 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 3i8e s VAL 500 CO 0.00 0.36 -0.04 0.00 0.00 0.00 0.00 175.10 175.42 3i8e s ALA 501 N -1.32 0.29 -0.10 5.51 0.00 -1.26 -1.10 121.76 123.78 3i8e s ALA 501 Ca 0.30 -0.43 -0.09 0.00 0.00 0.00 0.00 51.96 51.74 3i8e s ALA 501 Cb -0.14 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.04 3i8e s ALA 501 CO 0.16 -0.03 0.26 -1.12 0.00 0.00 0.00 175.76 175.04 3i8e s SER 502 N -0.87 -0.28 -0.20 0.00 0.01 -0.57 -4.81 113.70 106.98 3i8e s SER 502 Ca -0.07 0.53 -0.27 0.00 1.31 0.00 0.00 55.95 57.46 3i8e s SER 502 Cb -0.06 0.53 0.08 0.00 0.21 0.00 0.00 66.02 66.77 3i8e s SER 502 CO -0.00 -0.10 0.75 0.00 0.41 0.00 0.00 173.24 174.30 3i8e n ASN 504 N 2.02 0.00 0.06 0.00 0.23 -0.91 -4.96 115.26 111.69 3i8e n ASN 504 Ca -0.15 0.00 -0.04 0.00 -0.53 0.00 0.00 54.58 53.86 3i8e n ASN 504 Cb 0.56 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.24 3i8e n ASN 504 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 3i8e h SER 505 N 0.00 -0.22 -0.87 0.53 0.87 -1.77 -3.38 113.55 108.71 3i8e h SER 505 Ca 0.00 0.01 -0.40 0.00 -1.23 0.00 0.00 61.79 60.17 3i8e h SER 505 Cb 0.00 0.06 -0.41 0.00 -0.44 0.00 0.00 62.40 61.61 3i8e h SER 505 CO 0.00 0.25 -1.02 -1.20 -0.53 0.00 0.00 176.83 174.33 3i8e n SER 506 N -4.94 2.74 -3.64 6.23 7.64 -1.25 -3.68 113.62 116.72 3i8e n SER 506 Ca -0.03 -2.88 -0.08 0.00 1.01 0.00 0.00 58.87 56.89 3i8e n SER 506 Cb 0.10 -0.47 -0.07 0.00 -1.01 0.00 0.00 64.21 62.77 3i8e n SER 506 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3i8e s GLN 507 N -3.50 0.71 -0.02 1.43 0.74 -1.26 -4.38 119.66 113.38 3i8e s GLN 507 Ca 0.35 1.19 -0.00 0.00 0.05 0.00 0.00 55.36 56.95 3i8e s GLN 507 Cb 0.40 0.17 0.03 0.00 1.10 0.00 0.00 33.01 34.70 3i8e s GLN 507 CO -0.03 -0.14 0.04 0.08 -0.55 0.00 0.00 175.29 174.69 3i8e s VAL 508 N 1.50 -0.06 -0.12 1.34 1.01 -1.23 -2.15 120.40 120.69 3i8e s VAL 508 Ca -0.09 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.14 3i8e s VAL 508 Cb -0.05 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 36.24 3i8e s VAL 508 CO -0.18 0.09 -0.21 -0.69 0.00 0.00 0.00 175.10 174.12 3i8e s VAL 509 N 1.14 1.92 0.37 2.92 1.01 -0.84 -0.44 120.40 126.48 3i8e s VAL 509 Ca -0.08 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.00 3i8e s VAL 509 Cb -0.13 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.56 3i8e s VAL 509 CO -0.03 0.52 0.05 1.33 0.00 0.00 0.00 175.10 176.98 3i8e n VAL 510 N 4.00 0.00 -3.69 2.92 0.24 -0.96 -1.51 118.33 119.33 3i8e n VAL 510 Ca -0.20 -1.69 -0.11 0.00 -2.04 0.00 0.00 64.34 60.30 3i8e n VAL 510 Cb 0.52 0.25 -0.10 0.00 -1.47 0.00 0.00 33.84 33.04 3i8e n VAL 510 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i8e s ALA 511 N -2.62 -1.26 -0.30 2.33 0.00 -0.26 -3.65 121.76 116.00 3i8e s ALA 511 Ca 0.04 1.64 0.09 0.00 0.00 0.00 0.00 51.96 53.74 3i8e s ALA 511 Cb -0.00 -0.98 0.54 0.00 0.00 0.00 0.00 23.12 22.68 3i8e s ALA 511 CO 0.03 -0.27 1.54 0.28 0.00 0.00 0.00 175.76 177.33 3i8e n VAL 512 N 3.77 2.63 -0.60 0.00 0.31 -0.90 0.64 118.33 124.17 3i8e n VAL 512 Ca -0.19 -2.48 0.00 0.00 -0.01 0.00 0.00 64.34 61.66 3i8e n VAL 512 Cb 0.56 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 3i8e n VAL 512 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i8e n GLY 513 N -1.02 -3.78 2.81 2.92 0.00 -1.26 -4.54 105.19 100.33 3i8e n GLY 513 Ca 0.36 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3i8e n GLY 513 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8e n ARG 514 N 0.13 0.00 -2.78 1.61 1.74 -1.25 -4.87 116.66 111.24 3i8e n ARG 514 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 3i8e n ARG 514 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 3i8e n ARG 514 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i8e s ALA 515 N 0.00 3.20 0.07 7.54 0.00 -1.26 -1.67 121.76 129.64 3i8e s ALA 515 Ca 0.00 0.52 0.06 0.00 0.00 0.00 0.00 51.96 52.54 3i8e s ALA 515 Cb 0.00 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 3i8e s ALA 515 CO 0.00 0.17 -0.16 -0.51 0.00 0.00 0.00 175.76 175.26 3i8e s LEU 516 N -2.11 2.25 -0.03 0.00 1.43 -0.88 -2.12 118.68 117.22 3i8e s LEU 516 Ca 0.51 -0.59 -0.08 0.00 -1.03 0.00 0.00 54.13 52.94 3i8e s LEU 516 Cb -0.18 -0.64 0.01 0.00 0.03 0.00 0.00 46.19 45.41 3i8e s LEU 516 CO 0.23 -0.01 0.18 -0.31 0.23 0.00 0.00 176.35 176.67 3i8e s TYR 517 N -1.13 -0.09 -0.16 0.29 1.51 -1.24 -3.47 117.35 113.07 3i8e s TYR 517 Ca 0.01 0.19 0.01 0.00 -1.01 0.00 0.00 57.07 56.27 3i8e s TYR 517 Cb -0.09 0.02 0.00 0.00 -0.11 0.00 0.00 41.96 41.78 3i8e s TYR 517 CO 0.02 -0.21 -0.17 -0.47 -1.11 0.00 0.00 175.55 173.61 3i8e s TYR 518 N -0.72 2.76 0.47 2.71 5.04 -1.07 -2.25 117.35 124.28 3i8e s TYR 518 Ca -0.08 -1.19 0.07 0.00 -2.44 0.00 0.00 57.07 53.43 3i8e s TYR 518 Cb -0.05 -1.88 0.01 0.00 0.35 0.00 0.00 41.96 40.39 3i8e s TYR 518 CO 0.01 -0.55 0.41 -0.51 -1.34 0.00 0.00 175.55 173.57 3i8e s LEU 519 N 0.90 3.14 -0.01 6.97 1.43 0.41 -0.28 118.68 131.24 3i8e s LEU 519 Ca -0.04 -0.93 -0.07 0.00 -1.03 0.00 0.00 54.13 52.06 3i8e s LEU 519 Cb -0.15 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.36 3i8e s LEU 519 CO -0.02 -0.85 0.15 -1.10 0.23 0.00 0.00 176.35 174.75 3i8e s GLN 520 N -4.21 0.43 -0.08 1.70 -0.21 -0.20 -3.49 119.66 113.60 3i8e s GLN 520 Ca 0.45 -0.28 0.04 0.00 0.02 0.00 0.00 55.36 55.59 3i8e s GLN 520 Cb -0.03 0.18 -0.00 0.00 1.00 0.00 0.00 33.01 34.16 3i8e s GLN 520 CO 0.26 -0.10 -0.23 0.42 -2.12 0.00 0.00 175.29 173.53 3i8e s ILE 521 N -1.11 1.91 0.00 1.08 -1.09 -1.26 -2.67 121.20 118.07 3i8e s ILE 521 Ca -0.12 -0.95 0.00 0.00 -2.23 0.00 0.00 60.65 57.35 3i8e s ILE 521 Cb -0.06 -1.65 0.00 0.00 -1.58 0.00 0.00 42.46 39.17 3i8e s ILE 521 CO 0.01 0.53 0.00 1.41 -1.23 0.00 0.00 174.94 175.66 3i8e n HIS 522 N 3.34 0.00 -1.57 3.97 8.25 -1.24 -4.84 115.22 123.13 3i8e n HIS 522 Ca -0.19 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.85 3i8e n HIS 522 Cb 0.53 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.60 3i8e n HIS 522 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3i8e n PRO 523 N 0.00 1.59 0.00 -0.41 -0.02 -1.26 -4.10 135.00 130.80 3i8e n PRO 523 Ca 0.00 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3i8e n PRO 523 Cb 0.00 -3.21 0.00 0.00 -0.02 0.00 0.00 33.50 30.27 3i8e n PRO 523 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i8e n GLN 524 N 8.79 0.00 -4.40 -0.52 6.02 -1.26 -4.98 117.38 121.03 3i8e n GLN 524 Ca 0.34 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 57.06 3i8e n GLN 524 Cb 0.45 -1.60 -0.12 0.00 1.02 0.00 0.00 30.24 29.99 3i8e n GLN 524 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3i8e s GLU 525 N 0.00 1.43 -0.39 -1.09 4.04 -1.26 -3.80 118.70 117.64 3i8e s GLU 525 Ca 0.00 -1.43 -0.12 0.00 0.04 0.00 0.00 54.97 53.46 3i8e s GLU 525 Cb 0.00 -1.80 0.03 0.00 0.02 0.00 0.00 34.13 32.39 3i8e s GLU 525 CO 0.00 0.40 0.23 -1.17 -1.84 0.00 0.00 175.26 172.89 3i8e s LEU 526 N -2.40 4.86 -0.18 1.83 1.98 -1.26 -3.66 118.68 119.84 3i8e s LEU 526 Ca 0.17 -1.04 -0.01 0.00 -2.89 0.00 0.00 54.13 50.36 3i8e s LEU 526 Cb -0.09 -2.05 0.00 0.00 0.66 0.00 0.00 46.19 44.72 3i8e s LEU 526 CO 0.08 -0.42 -0.13 -0.60 -1.89 0.00 0.00 176.35 173.39 3i8e s ARG 527 N 1.57 3.21 0.43 1.98 3.52 -1.09 -4.89 118.95 123.68 3i8e s ARG 527 Ca 0.02 -0.73 -0.15 0.00 -0.13 0.00 0.00 55.73 54.75 3i8e s ARG 527 Cb -0.20 -2.73 -0.08 0.00 -1.56 0.00 0.00 34.95 30.39 3i8e s ARG 527 CO 0.07 -0.10 0.86 -1.14 -0.81 0.00 0.00 175.30 174.18 3i8e s GLN 528 N 1.11 3.93 0.00 5.12 0.74 -1.26 -1.04 119.66 128.27 3i8e s GLN 528 Ca 0.00 0.75 0.00 0.00 0.05 0.00 0.00 55.36 56.17 3i8e s GLN 528 Cb -0.14 -2.29 0.00 0.00 1.10 0.00 0.00 33.01 31.68 3i8e s GLN 528 CO -0.04 -0.08 0.00 -0.89 -0.55 0.00 0.00 175.29 173.73 3i8e n ILE 529 N -1.13 0.00 -0.69 -2.34 5.41 0.61 -4.93 119.36 116.29 3i8e n ILE 529 Ca 0.05 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.51 3i8e n ILE 529 Cb 0.54 0.00 0.24 0.00 -0.71 0.00 0.00 39.64 39.70 3i8e n ILE 529 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3i8e s SER 530 N 1.00 1.32 -0.24 4.38 0.01 -1.26 -4.65 113.70 114.27 3i8e s SER 530 Ca 0.00 1.44 -0.15 0.00 1.31 0.00 0.00 55.95 58.55 3i8e s SER 530 Cb 0.00 -2.20 0.07 0.00 0.21 0.00 0.00 66.02 64.10 3i8e s SER 530 CO 0.00 -3.98 0.60 -2.28 0.41 0.00 0.00 173.24 167.99 3i8e s HIS 531 N -2.58 -0.86 -0.05 2.43 2.46 -1.26 -2.60 115.29 112.83 3i8e s HIS 531 Ca 0.68 1.80 -0.08 0.00 0.47 0.00 0.00 55.06 57.93 3i8e s HIS 531 Cb -0.23 0.45 0.01 0.00 -0.13 0.00 0.00 32.58 32.68 3i8e s HIS 531 CO 0.63 -0.44 0.20 0.99 -2.47 0.00 0.00 174.74 173.65 3i8e s THR 532 N 1.29 0.03 0.53 0.89 2.01 -1.23 -5.01 115.64 114.16 3i8e s THR 532 Ca -0.08 -0.26 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 3i8e s THR 532 Cb -0.06 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 72.06 3i8e s THR 532 CO -0.14 -0.14 0.84 -0.70 -0.69 0.00 0.00 174.62 173.80 3i8e s GLU 533 N -0.49 3.28 0.09 4.92 2.12 -1.26 -2.08 118.70 125.28 3i8e s GLU 533 Ca -0.06 0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.43 3i8e s GLU 533 Cb -0.04 -2.32 -0.04 0.00 0.26 0.00 0.00 34.13 32.00 3i8e s GLU 533 CO 0.01 -0.43 -0.08 -1.64 -0.54 0.00 0.00 175.26 172.58 3i8e s MET 534 N -4.86 0.79 0.12 4.30 -1.94 -0.67 -4.97 119.30 112.07 3i8e s MET 534 Ca 0.50 -1.16 -0.23 0.00 -1.71 0.00 0.00 55.69 53.09 3i8e s MET 534 Cb -0.10 -0.36 -0.05 0.00 2.01 0.00 0.00 34.83 36.32 3i8e s MET 534 CO 0.45 0.04 1.16 0.39 -0.01 0.00 0.00 175.02 177.05 3i8e n GLU 535 N 0.47 -0.33 0.00 2.03 -0.58 -1.26 -4.75 120.64 116.22 3i8e n GLU 535 Ca -0.16 1.14 0.00 0.00 -0.42 0.00 0.00 57.16 57.72 3i8e n GLU 535 Cb 0.58 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 3i8e n GLU 535 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3i8e n HIS 536 N -4.93 0.00 -3.09 -0.32 8.25 -1.26 -5.08 115.22 108.78 3i8e n HIS 536 Ca 0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.08 3i8e n HIS 536 Cb 0.20 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.25 3i8e n HIS 536 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3i8e s GLU 537 N 1.13 4.41 -0.05 -0.41 2.02 -1.26 -3.81 118.70 120.72 3i8e s GLU 537 Ca 0.00 0.88 -0.30 0.00 0.02 0.00 0.00 54.97 55.58 3i8e s GLU 537 Cb 0.00 -3.37 -0.05 0.00 0.10 0.00 0.00 34.13 30.80 3i8e s GLU 537 CO 0.00 0.27 1.60 0.08 0.02 0.00 0.00 175.26 177.23 3i8e s VAL 538 N 0.09 3.61 -0.11 2.63 1.01 -1.26 0.48 120.40 126.85 3i8e s VAL 538 Ca 0.35 0.79 -0.08 0.00 0.00 0.00 0.00 61.98 63.04 3i8e s VAL 538 Cb -0.19 -3.51 -0.27 0.00 0.00 0.00 0.00 36.38 32.42 3i8e s VAL 538 CO 0.19 -0.06 0.40 0.00 0.00 0.00 0.00 175.10 175.63 3i8e h ALA 539 N 9.22 0.40 -2.76 5.51 0.00 -1.73 -3.45 119.26 126.45 3i8e h ALA 539 Ca -0.38 -1.36 -0.03 0.00 0.00 0.00 0.00 54.91 53.14 3i8e h ALA 539 Cb 1.17 0.68 -0.14 0.00 0.00 0.00 0.00 17.79 19.51 3i8e h ALA 539 CO 0.95 1.26 0.17 0.00 0.00 0.00 0.00 179.25 181.63 3i8e s LEU 541 N -2.41 2.27 -0.18 0.00 1.43 -1.26 -2.45 118.68 116.07 3i8e s LEU 541 Ca -0.02 -1.10 -0.14 0.00 -1.03 0.00 0.00 54.13 51.85 3i8e s LEU 541 Cb -0.01 -0.03 0.05 0.00 0.03 0.00 0.00 46.19 46.24 3i8e s LEU 541 CO -0.08 -0.54 0.47 -0.62 0.23 0.00 0.00 176.35 175.81 3i8e s ASP 542 N -3.10 -0.54 -0.02 2.29 2.15 -1.23 -4.72 116.67 111.51 3i8e s ASP 542 Ca 0.18 0.97 0.01 0.00 0.43 0.00 0.00 52.55 54.15 3i8e s ASP 542 Cb 0.06 0.93 0.01 0.00 -0.30 0.00 0.00 42.92 43.62 3i8e s ASP 542 CO -0.00 -0.18 -0.03 0.27 -0.17 0.00 0.00 175.17 175.05 3i8e s ILE 543 N 0.76 0.37 -0.28 4.11 -4.36 -1.26 -4.40 121.20 116.13 3i8e s ILE 543 Ca -0.04 -0.10 -0.16 0.00 -0.26 0.00 0.00 60.65 60.09 3i8e s ILE 543 Cb -0.05 -0.38 0.10 0.00 1.25 0.00 0.00 42.46 43.38 3i8e s ILE 543 CO -0.06 0.15 0.75 -0.89 0.24 0.00 0.00 174.94 175.13 3i8e s THR 544 N 0.48 -0.05 -0.20 8.37 2.01 -1.26 -4.46 115.64 120.52 3i8e s THR 544 Ca -0.05 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.66 3i8e s THR 544 Cb -0.09 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 3i8e s THR 544 CO -0.00 0.00 2.06 -2.16 -0.69 0.00 0.00 174.62 173.83 3i8e s PRO 545 N 1.64 3.37 0.00 4.92 0.04 -1.26 -4.76 135.00 138.95 3i8e s PRO 545 Ca -0.10 1.98 0.00 0.00 0.04 0.00 0.00 61.00 62.93 3i8e s PRO 545 Cb -0.05 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.20 3i8e s PRO 545 CO -0.19 -1.83 0.00 1.28 0.04 0.00 0.00 177.00 176.30 3i8e n LEU 546 N 10.58 0.00 -0.73 -3.56 4.32 -1.26 -4.82 117.00 121.53 3i8e n LEU 546 Ca 0.26 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 56.29 3i8e n LEU 546 Cb 0.45 0.00 0.13 0.00 -1.62 0.00 0.00 43.42 42.38 3i8e n LEU 546 CO 0.67 -0.01 0.54 0.61 -1.22 0.00 0.00 177.39 177.97 3i8e n GLY 547 N 4.40 1.10 0.03 -0.72 0.00 -1.26 -3.72 105.19 105.02 3i8e n GLY 547 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3i8e n GLY 547 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i8e n ASP 548 N 0.25 0.79 -3.78 1.61 3.85 -1.26 -5.07 116.55 112.94 3i8e n ASP 548 Ca 0.09 -0.89 -0.10 0.00 -0.71 0.00 0.00 54.79 53.18 3i8e n ASP 548 Cb 0.40 0.28 -0.07 0.00 -1.35 0.00 0.00 41.12 40.38 3i8e n ASP 548 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3i8e s SER 549 N -0.35 -0.05 -0.76 -1.12 1.04 -1.24 -5.10 113.70 106.12 3i8e s SER 549 Ca 0.01 -0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.02 3i8e s SER 549 Cb 0.01 0.36 0.19 0.00 0.10 0.00 0.00 66.02 66.68 3i8e s SER 549 CO 0.02 -0.68 0.62 0.20 0.98 0.00 0.00 173.24 174.37 3i8e s ASN 550 N -2.44 5.74 0.00 7.02 0.01 -1.26 -4.52 114.94 119.49 3i8e s ASN 550 Ca -0.01 -3.17 0.00 0.00 -0.71 0.00 0.00 52.86 48.97 3i8e s ASN 550 Cb 0.01 -1.93 0.00 0.00 0.41 0.00 0.00 41.25 39.75 3i8e s ASN 550 CO -0.07 -0.32 0.00 0.61 -1.51 0.00 0.00 177.10 175.80 3i8e n GLY 551 N 3.10 1.75 3.30 0.66 0.00 -1.26 -5.04 105.19 107.71 3i8e n GLY 551 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3i8e n GLY 551 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i8e s LEU 552 N 0.00 2.14 -0.23 0.99 2.96 -1.26 -3.81 118.68 119.47 3i8e s LEU 552 Ca 0.00 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 53.32 3i8e s LEU 552 Cb 0.00 -1.18 -0.02 0.00 0.50 0.00 0.00 46.19 45.49 3i8e s LEU 552 CO 0.00 0.24 -0.01 -0.55 -1.32 0.00 0.00 176.35 174.71 3i8e s SER 553 N -1.10 4.57 0.00 3.68 0.15 -1.26 -4.51 113.70 115.23 3i8e s SER 553 Ca 0.10 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.43 3i8e s SER 553 Cb -0.09 -1.80 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 3i8e s SER 553 CO 0.01 -0.01 0.14 -2.65 1.20 0.00 0.00 173.24 171.93 3i8e n PRO 554 N 4.76 0.00 -2.87 5.44 -0.02 -1.26 -4.94 135.00 136.11 3i8e n PRO 554 Ca -0.18 0.01 -0.21 0.00 -2.02 0.00 0.00 63.50 61.11 3i8e n PRO 554 Cb 0.51 -0.64 0.08 0.00 -0.02 0.00 0.00 33.50 33.43 3i8e n PRO 554 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3i8e s LEU 555 N -0.31 3.05 0.27 2.45 2.34 -1.26 -4.13 118.68 121.08 3i8e s LEU 555 Ca 0.00 -0.68 -0.18 0.00 0.06 0.00 0.00 54.13 53.33 3i8e s LEU 555 Cb 0.00 -1.73 0.01 0.00 -0.56 0.00 0.00 46.19 43.91 3i8e s LEU 555 CO 0.00 -1.56 0.62 0.00 -1.06 0.00 0.00 176.35 174.35 3i8e s ALA 557 N -3.93 -2.03 0.34 0.00 0.00 -1.26 -0.55 121.76 114.33 3i8e s ALA 557 Ca 0.16 1.73 0.04 0.00 0.00 0.00 0.00 51.96 53.89 3i8e s ALA 557 Cb -0.04 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 3i8e s ALA 557 CO 0.08 -0.25 0.36 0.96 0.00 0.00 0.00 175.76 176.91 3i8e s ILE 558 N -0.76 0.00 -0.08 0.00 -4.36 -0.31 -3.55 121.20 112.14 3i8e s ILE 558 Ca 0.03 -1.85 -0.05 0.00 -0.26 0.00 0.00 60.65 58.52 3i8e s ILE 558 Cb -0.02 -2.57 0.04 0.00 1.25 0.00 0.00 42.46 41.16 3i8e s ILE 558 CO -0.04 0.00 0.20 -0.83 0.24 0.00 0.00 174.94 174.51 3i8e s GLY 559 N -3.34 -0.11 0.25 6.27 0.00 -1.03 0.17 107.32 109.53 3i8e s GLY 559 Ca 0.37 0.78 0.01 0.00 0.00 0.00 0.00 44.72 45.88 3i8e s GLY 559 CO 0.26 0.96 0.06 1.47 0.00 0.00 0.00 173.10 175.85 3i8e n LEU 560 N 3.88 0.00 -0.04 0.66 -0.00 -1.23 -1.72 117.00 118.55 3i8e n LEU 560 Ca -0.22 -1.49 -0.06 0.00 -0.00 0.00 0.00 56.01 54.24 3i8e n LEU 560 Cb 0.54 0.11 -0.05 0.00 -0.00 0.00 0.00 43.42 44.03 3i8e n LEU 560 CO 0.17 -0.28 0.16 -0.50 -0.00 0.00 0.00 177.39 176.94 3i8e h TRP 561 N 0.96 -0.04 0.00 1.47 4.06 -0.29 -3.33 115.95 118.78 3i8e h TRP 561 Ca -0.19 -0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.70 3i8e h TRP 561 Cb 0.61 0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.78 3i8e h TRP 561 CO 0.00 0.32 -0.32 1.15 -3.56 0.00 0.00 178.44 176.03 3i8e h THR 562 N -0.99 1.15 0.00 1.49 2.02 -1.95 -3.32 112.91 111.30 3i8e h THR 562 Ca -0.00 -1.97 -0.04 0.00 0.77 0.00 0.00 66.41 65.17 3i8e h THR 562 Cb 0.37 2.28 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 3i8e h THR 562 CO 0.01 0.39 -0.18 -2.24 0.37 0.00 0.00 175.52 173.86 3i8e h ASP 563 N -1.00 0.00 -4.65 4.18 3.04 -1.98 -3.48 116.42 112.53 3i8e h ASP 563 Ca -0.08 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.71 3i8e h ASP 563 Cb 0.85 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.14 3i8e h ASP 563 CO -0.05 0.18 -0.34 -0.38 -2.04 0.00 0.00 179.24 176.62 3i8e n ILE 564 N -3.45 -8.54 -4.21 4.15 5.41 -1.25 -4.79 119.36 106.66 3i8e n ILE 564 Ca -0.01 0.60 -0.15 0.00 1.00 0.00 0.00 62.75 64.19 3i8e n ILE 564 Cb 0.36 -6.37 -0.08 0.00 -0.71 0.00 0.00 39.64 32.83 3i8e n ILE 564 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3i8e s SER 565 N -2.20 0.88 -0.10 4.38 1.04 -1.25 -3.21 113.70 113.25 3i8e s SER 565 Ca 0.17 -1.54 -0.01 0.00 0.48 0.00 0.00 55.95 55.05 3i8e s SER 565 Cb -0.05 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.60 3i8e s SER 565 CO 0.56 -1.00 -0.01 0.00 0.98 0.00 0.00 173.24 173.77 3i8e s ALA 566 N -3.73 0.87 -0.17 5.32 0.00 -1.14 -3.49 121.76 119.42 3i8e s ALA 566 Ca 0.38 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.99 3i8e s ALA 566 Cb 0.04 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 3i8e s ALA 566 CO 0.20 -0.55 0.01 1.03 0.00 0.00 0.00 175.76 176.44 3i8e s ARG 567 N 1.90 3.81 -0.17 0.00 1.81 0.44 -0.67 118.95 126.07 3i8e s ARG 567 Ca 0.04 -0.44 -0.11 0.00 -1.72 0.00 0.00 55.73 53.50 3i8e s ARG 567 Cb -0.13 -3.06 -0.05 0.00 -0.45 0.00 0.00 34.95 31.26 3i8e s ARG 567 CO -0.06 0.25 0.19 0.42 -0.68 0.00 0.00 175.30 175.41 3i8e s ILE 568 N 0.39 5.38 0.34 1.52 -1.09 -1.26 -1.16 121.20 125.32 3i8e s ILE 568 Ca -0.01 0.31 -0.02 0.00 -2.23 0.00 0.00 60.65 58.71 3i8e s ILE 568 Cb -0.13 -3.51 -0.00 0.00 -1.58 0.00 0.00 42.46 37.23 3i8e s ILE 568 CO 0.02 0.45 0.45 -1.48 -1.23 0.00 0.00 174.94 173.15 3i8e s LEU 569 N 0.17 1.07 0.36 2.97 0.05 0.28 -0.51 118.68 123.07 3i8e s LEU 569 Ca 0.12 -1.50 0.07 0.00 0.05 0.00 0.00 54.13 52.87 3i8e s LEU 569 Cb -0.12 1.37 -0.01 0.00 -2.05 0.00 0.00 46.19 45.39 3i8e s LEU 569 CO 0.01 -1.27 0.44 -0.75 -0.55 0.00 0.00 176.35 174.23 3i8e s LYS 570 N -3.13 2.90 -0.03 1.48 2.36 -1.05 -2.48 119.74 119.80 3i8e s LYS 570 Ca 0.31 -1.18 -0.03 0.00 -2.55 0.00 0.00 55.97 52.53 3i8e s LYS 570 Cb -0.00 -2.68 -0.01 0.00 -1.05 0.00 0.00 37.83 34.09 3i8e s LYS 570 CO 0.21 -0.02 -0.05 -0.11 1.55 0.00 0.00 175.35 176.93 3i8e n LEU 571 N -1.60 0.41 -0.21 5.43 7.94 -1.26 -3.54 117.00 124.17 3i8e n LEU 571 Ca 0.01 0.26 -0.09 0.00 -1.11 0.00 0.00 56.01 55.09 3i8e n LEU 571 Cb 0.59 -0.58 0.03 0.00 0.53 0.00 0.00 43.42 43.99 3i8e n LEU 571 CO 0.42 -0.48 0.82 -0.65 -1.11 0.00 0.00 177.39 176.38 3i8e h PRO 572 N -0.22 1.08 0.00 1.96 0.11 -1.94 -3.13 132.00 129.86 3i8e h PRO 572 Ca 0.00 -0.34 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3i8e h PRO 572 Cb 0.14 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3i8e h PRO 572 CO 0.00 1.05 0.00 0.66 -0.21 0.00 0.00 178.00 179.50 3i8e h SER 573 N 0.98 0.00 0.00 -2.05 4.64 -2.00 -3.46 113.55 111.66 3i8e h SER 573 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3i8e h SER 573 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3i8e h SER 573 CO 0.03 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.48 3i8e n PHE 574 N -2.96 0.00 -0.82 4.77 3.01 -1.19 -4.97 117.46 115.31 3i8e n PHE 574 Ca 0.04 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.20 3i8e n PHE 574 Cb 0.50 -1.65 0.18 0.00 -0.01 0.00 0.00 39.48 38.49 3i8e n PHE 574 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3i8e s GLU 575 N -1.56 0.69 -0.24 -1.08 -1.05 -1.26 -4.74 118.70 109.45 3i8e s GLU 575 Ca 0.00 1.18 -0.06 0.00 -0.15 0.00 0.00 54.97 55.94 3i8e s GLU 575 Cb 0.00 -1.72 -0.02 0.00 -0.44 0.00 0.00 34.13 31.95 3i8e s GLU 575 CO 0.00 -2.74 0.04 -1.17 0.95 0.00 0.00 175.26 172.34 3i8e s LEU 576 N -6.62 3.32 0.00 1.83 1.98 -1.26 -2.51 118.68 115.41 3i8e s LEU 576 Ca 0.66 -0.30 0.00 0.00 -2.89 0.00 0.00 54.13 51.60 3i8e s LEU 576 Cb -0.22 -1.87 0.00 0.00 0.66 0.00 0.00 46.19 44.77 3i8e s LEU 576 CO 0.59 -0.04 0.00 0.18 -1.89 0.00 0.00 176.35 175.19 3i8e n LEU 577 N 4.88 0.00 -4.22 -0.68 4.32 0.34 -4.99 117.00 116.65 3i8e n LEU 577 Ca -0.17 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.41 3i8e n LEU 577 Cb 0.51 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.24 3i8e n LEU 577 CO 0.30 0.00 0.08 -2.28 -1.22 0.00 0.00 177.39 174.28 3i8e s HIS 578 N 1.28 3.48 0.73 -1.77 5.65 -1.26 -4.91 115.29 118.49 3i8e s HIS 578 Ca 0.00 -2.03 -0.13 0.00 0.25 0.00 0.00 55.06 53.16 3i8e s HIS 578 Cb 0.00 -3.52 0.04 0.00 -1.18 0.00 0.00 32.58 27.92 3i8e s HIS 578 CO 0.00 -0.97 1.11 -1.59 -0.65 0.00 0.00 174.74 172.65 3i8e s LYS 579 N 0.87 2.37 -0.35 2.88 -2.85 -1.26 -4.25 119.74 117.15 3i8e s LYS 579 Ca 0.10 1.34 -0.05 0.00 -1.00 0.00 0.00 55.97 56.36 3i8e s LYS 579 Cb -0.22 -1.90 0.06 0.00 -2.06 0.00 0.00 37.83 33.71 3i8e s LYS 579 CO -0.03 -1.58 0.11 -2.00 0.10 0.00 0.00 175.35 171.95 3i8e s GLU 580 N -4.47 2.43 0.21 1.78 2.56 0.16 -4.94 118.70 116.42 3i8e s GLU 580 Ca 0.65 -1.37 -0.31 0.00 0.00 0.00 0.00 54.97 53.94 3i8e s GLU 580 Cb -0.20 -3.43 -0.10 0.00 2.00 0.00 0.00 34.13 32.40 3i8e s GLU 580 CO 0.49 -0.76 1.54 1.41 -0.56 0.00 0.00 175.26 177.38 3i8e s MET 581 N 1.30 4.21 0.07 4.30 -2.45 -1.26 -2.87 119.30 122.60 3i8e s MET 581 Ca -0.00 2.38 0.07 0.00 -1.25 0.00 0.00 55.69 56.89 3i8e s MET 581 Cb -0.21 -3.12 -0.04 0.00 1.25 0.00 0.00 34.83 32.72 3i8e s MET 581 CO 0.00 -0.56 -0.15 -0.51 1.05 0.00 0.00 175.02 174.85 3i8e s LEU 582 N 0.50 2.77 0.00 4.11 1.43 -1.20 -4.98 118.68 121.32 3i8e s LEU 582 Ca 0.66 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 53.30 3i8e s LEU 582 Cb -0.44 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.20 3i8e s LEU 582 CO 0.37 0.22 0.24 0.61 0.23 0.00 0.00 176.35 178.02 3i8e n GLY 583 N 1.17 -1.08 0.00 -3.19 0.00 -1.26 -4.73 105.19 96.10 3i8e n GLY 583 Ca -0.15 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3i8e n GLY 583 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8e n GLY 584 N 3.39 0.76 0.00 -0.02 0.00 -1.26 -4.92 105.19 103.14 3i8e n GLY 584 Ca 0.03 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.94 3i8e n GLY 584 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i8e n GLU 585 N 0.36 2.37 -4.16 1.61 -0.58 -1.26 -4.98 120.64 114.00 3i8e n GLU 585 Ca 0.00 -0.07 -0.25 0.00 -0.42 0.00 0.00 57.16 56.42 3i8e n GLU 585 Cb 0.00 -0.38 -0.06 0.00 -0.57 0.00 0.00 31.44 30.43 3i8e n GLU 585 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3i8e s ILE 586 N -0.36 4.10 0.82 -3.67 -1.09 -1.26 -5.11 121.20 114.64 3i8e s ILE 586 Ca 0.00 -1.38 -0.13 0.00 -2.23 0.00 0.00 60.65 56.91 3i8e s ILE 586 Cb 0.00 -3.13 0.08 0.00 -1.58 0.00 0.00 42.46 37.83 3i8e s ILE 586 CO 0.00 -0.20 1.08 2.30 -1.23 0.00 0.00 174.94 176.89 3i8e n ILE 587 N -0.55 1.66 -2.72 2.92 -0.00 -1.26 -4.73 119.36 114.68 3i8e n ILE 587 Ca -0.08 -0.20 -0.43 0.00 -0.00 0.00 0.00 62.75 62.04 3i8e n ILE 587 Cb 0.56 -1.10 -0.03 0.00 -0.00 0.00 0.00 39.64 39.08 3i8e n ILE 587 CO 0.00 0.00 0.00 -2.84 -0.00 0.00 0.00 176.55 173.71 3i8e s PRO 588 N -4.02 4.26 -0.02 6.28 0.02 -1.26 -2.20 135.00 138.06 3i8e s PRO 588 Ca 0.71 1.26 -0.12 0.00 0.02 0.00 0.00 61.00 62.86 3i8e s PRO 588 Cb -0.28 -3.63 -0.32 0.00 0.02 0.00 0.00 34.50 30.29 3i8e s PRO 588 CO 0.53 -0.56 0.79 -0.09 -0.33 0.00 0.00 177.00 177.34 3i8e h ARG 589 N 7.45 0.44 -4.05 5.54 1.12 -1.27 -3.40 114.38 120.21 3i8e h ARG 589 Ca -0.22 -0.76 -0.19 0.00 -1.11 0.00 0.00 59.98 57.71 3i8e h ARG 589 Cb 1.08 0.28 -0.22 0.00 -0.01 0.00 0.00 29.97 31.11 3i8e h ARG 589 CO 0.94 1.36 -0.71 -1.12 -3.11 0.00 0.00 179.97 177.33 3i8e s SER 590 N -7.39 0.32 -0.01 -3.80 0.01 -1.14 -4.75 113.70 96.95 3i8e s SER 590 Ca -0.13 -0.47 -0.02 0.00 1.31 0.00 0.00 55.95 56.64 3i8e s SER 590 Cb 0.05 0.08 -0.00 0.00 0.21 0.00 0.00 66.02 66.36 3i8e s SER 590 CO 0.89 -0.26 0.04 -0.51 0.41 0.00 0.00 173.24 173.80 3i8e s ILE 591 N -1.33 0.04 0.23 1.44 1.10 -1.26 0.35 121.20 121.77 3i8e s ILE 591 Ca -0.14 -0.33 -0.10 0.00 -0.51 0.00 0.00 60.65 59.57 3i8e s ILE 591 Cb -0.09 -0.17 -0.01 0.00 0.15 0.00 0.00 42.46 42.34 3i8e s ILE 591 CO -0.01 -0.18 0.40 -0.22 -2.11 0.00 0.00 174.94 172.83 3i8e s LEU 592 N -0.54 0.50 0.02 8.50 2.96 -0.12 -4.57 118.68 125.43 3i8e s LEU 592 Ca -0.06 -1.01 0.03 0.00 -0.22 0.00 0.00 54.13 52.86 3i8e s LEU 592 Cb -0.04 1.48 -0.01 0.00 0.50 0.00 0.00 46.19 48.12 3i8e s LEU 592 CO -0.00 -1.07 -0.08 0.00 -1.32 0.00 0.00 176.35 173.87 3i8e s MET 593 N -4.04 0.59 0.22 1.98 0.23 -1.26 -2.61 119.30 114.41 3i8e s MET 593 Ca 0.25 -0.51 0.00 0.00 -1.03 0.00 0.00 55.69 54.40 3i8e s MET 593 Cb 0.01 -0.50 -0.04 0.00 -1.53 0.00 0.00 34.83 32.77 3i8e s MET 593 CO 0.09 0.12 0.13 0.95 -2.03 0.00 0.00 175.02 174.28 3i8e s THR 594 N -0.72 0.14 -0.19 3.16 -4.23 -1.05 -5.01 115.64 107.74 3i8e s THR 594 Ca -0.02 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.33 3i8e s THR 594 Cb -0.06 -2.53 0.05 0.00 1.34 0.00 0.00 72.50 71.30 3i8e s THR 594 CO 0.00 0.00 0.50 -0.89 -0.54 0.00 0.00 174.62 173.69 3i8e s THR 595 N -4.02 -0.00 0.00 3.99 2.01 -1.26 -3.29 115.64 113.07 3i8e s THR 595 Ca 0.39 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.40 3i8e s THR 595 Cb 0.07 -0.71 0.00 0.00 0.01 0.00 0.00 72.50 71.87 3i8e s THR 595 CO 0.13 0.01 0.00 0.49 -0.69 0.00 0.00 174.62 174.56 3i8e n PHE 596 N 3.20 0.00 0.01 4.92 3.01 -1.26 -4.87 117.46 122.47 3i8e n PHE 596 Ca -0.16 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.27 3i8e n PHE 596 Cb 0.56 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.02 3i8e n PHE 596 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3i8e n GLU 597 N -0.14 0.09 -3.46 -1.08 4.71 -1.26 -4.95 120.64 114.56 3i8e n GLU 597 Ca 0.00 0.04 -0.23 0.00 -0.01 0.00 0.00 57.16 56.96 3i8e n GLU 597 Cb 0.00 -0.66 -0.12 0.00 -1.01 0.00 0.00 31.44 29.65 3i8e n GLU 597 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 3i8e s SER 598 N -5.75 2.48 0.00 1.62 0.01 -1.26 -5.11 113.70 105.70 3i8e s SER 598 Ca -0.05 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.02 3i8e s SER 598 Cb 0.01 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.33 3i8e s SER 598 CO 0.08 -0.39 0.00 -1.20 0.41 0.00 0.00 173.24 172.14 3i8e n SER 599 N 5.06 0.00 -4.24 2.44 7.64 -1.26 -5.07 113.62 118.18 3i8e n SER 599 Ca -0.01 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.58 3i8e n SER 599 Cb 0.44 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.47 3i8e n SER 599 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3i8e s HIS 600 N -2.00 2.16 -0.06 1.43 0.09 -1.26 -4.09 115.29 111.55 3i8e s HIS 600 Ca 0.00 -0.53 0.03 0.00 -0.00 0.00 0.00 55.06 54.56 3i8e s HIS 600 Cb 0.00 -1.41 0.01 0.00 -0.00 0.00 0.00 32.58 31.18 3i8e s HIS 600 CO 0.00 -0.12 -0.16 0.71 -0.00 0.00 0.00 174.74 175.17 3i8e s TYR 601 N -0.31 1.75 -0.30 1.40 1.51 -1.21 -3.76 117.35 116.43 3i8e s TYR 601 Ca 0.02 -0.62 -0.03 0.00 -1.01 0.00 0.00 57.07 55.44 3i8e s TYR 601 Cb -0.11 -1.22 0.04 0.00 -0.11 0.00 0.00 41.96 40.56 3i8e s TYR 601 CO 0.01 -0.27 0.01 -1.17 -1.11 0.00 0.00 175.55 173.02 3i8e s LEU 602 N 0.40 3.82 -0.07 -1.29 2.96 -0.06 -2.53 118.68 121.90 3i8e s LEU 602 Ca -0.12 -1.14 0.02 0.00 -0.22 0.00 0.00 54.13 52.67 3i8e s LEU 602 Cb -0.15 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 3i8e s LEU 602 CO 0.04 -0.24 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.96 3i8e s LEU 603 N 1.30 2.91 -0.04 -0.68 1.02 -1.07 -2.15 118.68 119.96 3i8e s LEU 603 Ca -0.03 -0.15 0.03 0.00 0.02 0.00 0.00 54.13 54.00 3i8e s LEU 603 Cb -0.19 -1.62 0.00 0.00 0.02 0.00 0.00 46.19 44.40 3i8e s LEU 603 CO -0.01 0.32 -0.14 0.00 0.02 0.00 0.00 176.35 176.54 3i8e s ALA 605 N 0.21 2.95 0.56 0.00 0.00 0.15 -1.95 121.76 123.68 3i8e s ALA 605 Ca -0.06 -0.92 0.07 0.00 0.00 0.00 0.00 51.96 51.05 3i8e s ALA 605 Cb -0.12 -1.18 0.07 0.00 0.00 0.00 0.00 23.12 21.89 3i8e s ALA 605 CO 0.02 0.58 0.77 -0.51 0.00 0.00 0.00 175.76 176.61 3i8e s LEU 606 N -0.87 3.24 0.13 0.00 1.43 -0.43 -0.95 118.68 121.23 3i8e s LEU 606 Ca 0.13 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 3i8e s LEU 606 Cb -0.11 -2.06 -0.13 0.00 0.03 0.00 0.00 46.19 43.92 3i8e s LEU 606 CO 0.02 -1.26 1.29 1.23 0.23 0.00 0.00 176.35 177.86 3i8e h GLY 607 N 0.17 0.18 -1.27 -3.19 0.00 -1.73 -3.25 103.07 93.98 3i8e h GLY 607 Ca -0.34 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.60 3i8e h GLY 607 CO 0.43 0.34 0.00 2.09 0.00 0.00 0.00 176.54 179.39 3i8e n ASP 608 N -3.54 1.84 0.00 0.19 3.85 -1.26 -2.56 116.55 115.07 3i8e n ASP 608 Ca -0.04 -2.05 0.00 0.00 -0.71 0.00 0.00 54.79 51.99 3i8e n ASP 608 Cb 0.90 -0.26 0.00 0.00 -1.35 0.00 0.00 41.12 40.41 3i8e n ASP 608 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3i8e n GLY 609 N 0.90 3.13 3.69 6.12 0.00 -1.12 -4.33 105.19 113.59 3i8e n GLY 609 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3i8e n GLY 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8e s ALA 610 N -2.75 1.54 -0.07 4.61 0.00 -1.26 -2.99 121.76 120.84 3i8e s ALA 610 Ca 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 51.96 52.19 3i8e s ALA 610 Cb 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.83 3i8e s ALA 610 CO 0.00 -2.47 0.17 -1.17 0.00 0.00 0.00 175.76 172.29 3i8e s LEU 611 N -6.37 1.11 -0.05 0.00 0.20 -1.03 -1.31 118.68 111.23 3i8e s LEU 611 Ca 0.64 0.34 0.04 0.00 0.69 0.00 0.00 54.13 55.85 3i8e s LEU 611 Cb -0.20 0.52 -0.03 0.00 -0.43 0.00 0.00 46.19 46.06 3i8e s LEU 611 CO 0.58 -0.09 -0.16 -0.36 -0.29 0.00 0.00 176.35 176.03 3i8e s PHE 612 N 0.49 2.66 -0.10 5.38 0.40 -0.82 -2.57 117.98 123.42 3i8e s PHE 612 Ca -0.03 -0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.12 3i8e s PHE 612 Cb -0.05 -1.62 -0.01 0.00 0.51 0.00 0.00 43.02 41.85 3i8e s PHE 612 CO -0.02 0.16 -0.17 1.52 0.70 0.00 0.00 175.22 177.41 3i8e s TYR 613 N -0.71 2.70 0.07 0.36 1.13 -1.25 -2.69 117.35 116.95 3i8e s TYR 613 Ca 0.11 -0.61 -0.02 0.00 -1.41 0.00 0.00 57.07 55.14 3i8e s TYR 613 Cb -0.11 -1.74 -0.03 0.00 -1.10 0.00 0.00 41.96 38.98 3i8e s TYR 613 CO 0.00 -0.16 0.02 -0.06 -2.51 0.00 0.00 175.55 172.85 3i8e s PHE 614 N 0.05 0.49 -0.36 -3.49 0.40 -0.92 -4.32 117.98 109.84 3i8e s PHE 614 Ca -0.06 -1.00 -0.01 0.00 -0.60 0.00 0.00 56.93 55.26 3i8e s PHE 614 Cb -0.15 -0.34 0.09 0.00 0.51 0.00 0.00 43.02 43.13 3i8e s PHE 614 CO 0.05 -0.43 0.11 0.20 0.70 0.00 0.00 175.22 175.85 3i8e s GLY 615 N -2.92 1.91 -0.32 4.36 0.00 -1.26 -0.88 107.32 108.20 3i8e s GLY 615 Ca 0.09 -2.30 -0.19 0.00 0.00 0.00 0.00 44.72 42.31 3i8e s GLY 615 CO -0.09 0.91 0.59 -2.27 0.00 0.00 0.00 173.10 172.24 3i8e s LEU 616 N 1.12 4.20 0.32 0.66 2.96 -1.25 -4.19 118.68 122.51 3i8e s LEU 616 Ca 0.05 0.28 -0.28 0.00 -0.22 0.00 0.00 54.13 53.95 3i8e s LEU 616 Cb -0.21 -2.73 -0.09 0.00 0.50 0.00 0.00 46.19 43.65 3i8e s LEU 616 CO -0.04 -0.48 1.11 0.20 -1.32 0.00 0.00 176.35 175.82 3i8e s ASN 617 N 1.69 7.05 0.58 3.68 0.01 -1.26 -4.43 114.94 122.27 3i8e s ASN 617 Ca 0.23 2.26 0.38 0.00 -0.71 0.00 0.00 52.86 55.02 3i8e s ASN 617 Cb -0.15 -2.62 1.91 0.00 0.41 0.00 0.00 41.25 40.81 3i8e s ASN 617 CO 0.12 -0.29 2.16 0.16 -1.51 0.00 0.00 177.10 177.74 3i8e h ILE 618 N 2.82 0.00 0.00 0.60 3.07 -1.97 -3.22 117.51 118.82 3i8e h ILE 618 Ca -0.47 -0.18 0.00 0.00 1.55 0.00 0.00 64.86 65.75 3i8e h ILE 618 Cb 1.22 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 38.89 3i8e h ILE 618 CO 0.65 0.00 0.00 -0.62 -1.05 0.00 0.00 178.15 177.13 3i8e n GLU 619 N -2.97 0.00 -0.05 0.16 -0.58 -1.26 -4.77 120.64 111.16 3i8e n GLU 619 Ca -0.01 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.64 3i8e n GLU 619 Cb 0.15 -0.20 -0.02 0.00 -0.57 0.00 0.00 31.44 30.80 3i8e n GLU 619 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3i8e h THR 620 N 0.00 0.88 -3.64 2.62 1.35 -1.98 -3.47 112.91 108.66 3i8e h THR 620 Ca 0.00 -0.04 -0.12 0.00 -0.55 0.00 0.00 66.41 65.71 3i8e h THR 620 Cb 0.00 0.76 0.07 0.00 -1.73 0.00 0.00 68.15 67.25 3i8e h THR 620 CO 0.00 0.02 -0.31 0.61 -0.25 0.00 0.00 175.52 175.58 3i8e n GLY 621 N -1.18 0.12 3.71 5.82 0.00 -1.21 -5.00 105.19 107.45 3i8e n GLY 621 Ca -0.02 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 3i8e n GLY 621 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8e s LEU 622 N -3.79 2.68 0.00 0.99 1.02 -1.26 -4.50 118.68 113.82 3i8e s LEU 622 Ca 0.07 -1.43 -0.14 0.00 0.02 0.00 0.00 54.13 52.66 3i8e s LEU 622 Cb -0.01 -0.94 0.21 0.00 0.02 0.00 0.00 46.19 45.47 3i8e s LEU 622 CO 0.29 -0.67 0.63 0.18 0.02 0.00 0.00 176.35 176.79 3i8e n LEU 623 N -1.18 0.00 0.00 1.79 4.77 -1.26 -4.43 117.00 116.69 3i8e n LEU 623 Ca -0.10 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 3i8e n LEU 623 Cb 0.66 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3i8e n LEU 623 CO 0.44 -1.96 0.00 -1.20 -1.33 0.00 0.00 177.39 173.34 3i8e n SER 624 N -4.39 0.00 -4.78 -1.43 7.64 -1.26 -4.67 113.62 104.73 3i8e n SER 624 Ca 0.09 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.62 3i8e n SER 624 Cb 0.37 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.55 3i8e n SER 624 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3i8e s ASP 625 N 1.90 6.06 -0.05 6.43 -0.00 -1.26 -4.87 116.67 124.88 3i8e s ASP 625 Ca 0.00 2.13 0.06 0.00 -0.00 0.00 0.00 52.55 54.74 3i8e s ASP 625 Cb 0.00 -2.58 -0.01 0.00 -0.00 0.00 0.00 42.92 40.33 3i8e s ASP 625 CO 0.00 -0.98 -0.25 -0.60 -0.00 0.00 0.00 175.17 173.34 3i8e s ARG 626 N -3.08 2.44 0.03 8.23 3.52 -1.26 -4.22 118.95 124.60 3i8e s ARG 626 Ca 0.68 -0.91 -0.27 0.00 -0.13 0.00 0.00 55.73 55.10 3i8e s ARG 626 Cb -0.23 -2.14 0.08 0.00 -1.56 0.00 0.00 34.95 31.10 3i8e s ARG 626 CO 0.27 0.43 0.72 0.15 -0.81 0.00 0.00 175.30 176.06 3i8e s LYS 627 N -0.29 1.05 -0.10 5.12 1.02 -1.26 -5.01 119.74 120.26 3i8e s LYS 627 Ca 0.00 -0.14 0.03 0.00 0.02 0.00 0.00 55.97 55.89 3i8e s LYS 627 Cb -0.13 0.49 -0.00 0.00 -0.52 0.00 0.00 37.83 37.67 3i8e s LYS 627 CO 0.02 -0.41 -0.22 0.21 -0.92 0.00 0.00 175.35 174.03 3i8e s LYS 628 N -2.52 3.10 0.31 1.68 2.20 -1.26 -3.79 119.74 119.46 3i8e s LYS 628 Ca -0.02 -0.85 0.11 0.00 -0.36 0.00 0.00 55.97 54.84 3i8e s LYS 628 Cb -0.01 -2.36 -0.06 0.00 -1.51 0.00 0.00 37.83 33.90 3i8e s LYS 628 CO -0.03 0.19 -0.13 0.14 -0.36 0.00 0.00 175.35 175.16 3i8e s VAL 629 N 0.34 2.46 -0.01 4.02 -7.23 -1.06 -5.00 120.40 113.91 3i8e s VAL 629 Ca -0.18 -2.26 -0.00 0.00 -1.81 0.00 0.00 61.98 57.74 3i8e s VAL 629 Cb -0.18 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 3i8e s VAL 629 CO 0.08 -0.30 0.05 0.28 -0.31 0.00 0.00 175.10 174.90 3i8e s THR 630 N -2.54 4.51 0.00 5.32 -1.32 -1.26 -2.46 115.64 117.90 3i8e s THR 630 Ca 0.32 -0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 3i8e s THR 630 Cb -0.02 -3.03 0.00 0.00 -1.51 0.00 0.00 72.50 67.94 3i8e s THR 630 CO 0.16 0.38 0.00 0.18 -2.21 0.00 0.00 174.62 173.14 3i8e n LEU 631 N 1.35 0.00 0.00 9.08 4.77 -1.16 -4.96 117.00 126.07 3i8e n LEU 631 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3i8e n LEU 631 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3i8e n LEU 631 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3i8e n GLY 632 N 5.00 -0.23 0.68 -0.72 0.00 -1.26 -4.85 105.19 103.82 3i8e n GLY 632 Ca 0.00 -1.77 0.07 0.00 0.00 0.00 0.00 46.02 44.31 3i8e n GLY 632 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i8e n THR 633 N -1.16 0.66 -3.33 2.61 -2.24 -1.26 -4.23 114.28 105.31 3i8e n THR 633 Ca 0.00 -0.83 -0.19 0.00 -2.27 0.00 0.00 64.05 60.76 3i8e n THR 633 Cb 0.00 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 68.99 3i8e n THR 633 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3i8e s GLN 634 N -1.04 2.83 0.74 -0.78 -1.52 -1.26 -4.38 119.66 114.25 3i8e s GLN 634 Ca 0.23 -1.25 -0.15 0.00 -1.95 0.00 0.00 55.36 52.24 3i8e s GLN 634 Cb 0.13 -2.66 0.04 0.00 -0.22 0.00 0.00 33.01 30.30 3i8e s GLN 634 CO 0.18 -0.13 1.18 -0.35 -0.25 0.00 0.00 175.29 175.92 3i8e n PRO 635 N -1.68 0.55 -4.27 2.91 -0.04 -1.06 -2.79 135.00 128.62 3i8e n PRO 635 Ca 0.04 0.25 -0.33 0.00 -0.04 0.00 0.00 63.50 63.42 3i8e n PRO 635 Cb 0.59 -2.42 -0.16 0.00 -0.04 0.00 0.00 33.50 31.47 3i8e n PRO 635 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3i8e s THR 636 N -1.82 2.40 -0.20 0.52 2.01 -1.25 -4.55 115.64 112.75 3i8e s THR 636 Ca 0.76 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 61.77 3i8e s THR 636 Cb -0.33 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 3i8e s THR 636 CO 0.47 0.52 0.40 -0.69 -0.69 0.00 0.00 174.62 174.63 3i8e s VAL 637 N 1.13 5.20 -0.26 3.82 1.01 -0.05 -4.31 120.40 126.95 3i8e s VAL 637 Ca 0.01 0.70 -0.11 0.00 0.00 0.00 0.00 61.98 62.58 3i8e s VAL 637 Cb -0.14 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 3i8e s VAL 637 CO -0.07 0.25 0.17 -0.76 0.00 0.00 0.00 175.10 174.69 3i8e s LEU 638 N 1.32 4.03 0.31 3.92 1.43 -1.26 -0.24 118.68 128.19 3i8e s LEU 638 Ca 0.19 0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.37 3i8e s LEU 638 Cb -0.15 -2.10 -0.06 0.00 0.03 0.00 0.00 46.19 43.91 3i8e s LEU 638 CO 0.08 0.01 0.01 -0.60 0.23 0.00 0.00 176.35 176.08 3i8e s ARG 639 N 1.42 1.62 0.03 1.70 6.06 -0.66 -4.98 118.95 124.15 3i8e s ARG 639 Ca 0.07 -1.87 0.06 0.00 -2.50 0.00 0.00 55.73 51.49 3i8e s ARG 639 Cb -0.15 -1.01 -0.03 0.00 0.06 0.00 0.00 34.95 33.82 3i8e s ARG 639 CO 0.08 -0.10 -0.15 -0.08 -2.50 0.00 0.00 175.30 172.55 3i8e s THR 640 N -3.16 3.04 0.10 4.11 -1.32 -1.26 -1.41 115.64 115.73 3i8e s THR 640 Ca 0.33 -1.08 0.03 0.00 -1.21 0.00 0.00 61.69 59.76 3i8e s THR 640 Cb 0.07 -2.30 -0.04 0.00 -1.51 0.00 0.00 72.50 68.72 3i8e s THR 640 CO 0.14 0.34 -0.08 0.72 -2.21 0.00 0.00 174.62 173.53 3i8e s PHE 641 N -0.95 0.96 -0.19 9.09 -0.12 0.42 -4.47 117.98 122.70 3i8e s PHE 641 Ca 0.16 -0.79 -0.14 0.00 -0.05 0.00 0.00 56.93 56.10 3i8e s PHE 641 Cb -0.11 -0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 41.71 3i8e s PHE 641 CO 0.06 -0.08 0.32 0.50 -0.05 0.00 0.00 175.22 175.98 3i8e s ARG 642 N -3.35 4.19 0.00 1.99 3.52 -1.26 -0.92 118.95 123.11 3i8e s ARG 642 Ca 0.09 0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.78 3i8e s ARG 642 Cb 0.01 -3.50 0.00 0.00 -1.56 0.00 0.00 34.95 29.90 3i8e s ARG 642 CO -0.02 0.07 0.00 -1.13 -0.81 0.00 0.00 175.30 173.40 3i8e n SER 643 N 4.15 0.00 0.00 -2.12 3.41 -1.26 -4.95 113.62 112.85 3i8e n SER 643 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 3i8e n SER 643 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3i8e n SER 643 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i8e n LEU 644 N 0.00 0.00 0.01 1.04 -0.00 -1.26 -5.00 117.00 111.79 3i8e n LEU 644 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 3i8e n LEU 644 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 3i8e n LEU 644 CO 0.00 0.00 0.86 0.77 -0.00 0.00 0.00 177.39 179.02 3i8e h SER 645 N 0.00 0.06 -2.76 1.45 4.64 -2.02 -3.37 113.55 111.54 3i8e h SER 645 Ca 0.00 -0.06 -0.56 0.00 -0.47 0.00 0.00 61.79 60.70 3i8e h SER 645 Cb 0.00 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 3i8e h SER 645 CO 0.00 0.10 1.20 0.42 -0.87 0.00 0.00 176.83 177.68 3i8e s THR 646 N -5.95 3.64 -0.23 2.95 -4.23 -1.26 -4.98 115.64 105.58 3i8e s THR 646 Ca -0.13 0.60 -0.09 0.00 -1.18 0.00 0.00 61.69 60.88 3i8e s THR 646 Cb 0.06 -4.00 -0.05 0.00 1.34 0.00 0.00 72.50 69.86 3i8e s THR 646 CO 0.67 -0.73 0.12 0.42 -0.54 0.00 0.00 174.62 174.57 3i8e s THR 647 N 6.68 5.09 0.00 3.99 -4.23 -1.26 -4.31 115.64 121.59 3i8e s THR 647 Ca 0.67 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.27 3i8e s THR 647 Cb -0.16 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.32 3i8e s THR 647 CO 0.30 0.37 0.00 0.59 -0.54 0.00 0.00 174.62 175.34 3i8e n ASN 648 N 4.18 1.50 -4.18 3.99 3.02 -0.10 -4.84 115.26 118.84 3i8e n ASN 648 Ca -0.16 -0.46 -0.34 0.00 -0.03 0.00 0.00 54.58 53.60 3i8e n ASN 648 Cb 0.52 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.54 3i8e n ASN 648 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i8e s VAL 649 N -0.30 2.51 -0.26 2.41 1.01 -0.84 0.16 120.40 125.09 3i8e s VAL 649 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 3i8e s VAL 649 Cb 0.00 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 3i8e s VAL 649 CO 0.00 0.45 0.26 0.12 0.00 0.00 0.00 175.10 175.93 3i8e s PHE 650 N 1.34 3.27 -0.41 5.22 5.36 -0.50 0.47 117.98 132.73 3i8e s PHE 650 Ca 0.04 0.29 -0.15 0.00 -0.96 0.00 0.00 56.93 56.14 3i8e s PHE 650 Cb -0.14 -2.43 0.02 0.00 -0.34 0.00 0.00 43.02 40.13 3i8e s PHE 650 CO -0.09 -0.11 0.32 0.00 -1.46 0.00 0.00 175.22 173.88 3i8e s ALA 651 N 1.63 3.47 0.04 11.12 0.00 0.15 -1.66 121.76 136.52 3i8e s ALA 651 Ca 0.11 -1.68 -0.27 0.00 0.00 0.00 0.00 51.96 50.12 3i8e s ALA 651 Cb -0.15 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 3i8e s ALA 651 CO 0.09 -1.46 0.85 0.00 0.00 0.00 0.00 175.76 175.24 3i8e n SER 653 N 3.08 -0.12 0.16 0.00 2.88 -0.48 -0.87 113.62 118.27 3i8e n SER 653 Ca 0.00 -1.08 0.04 0.00 -1.33 0.00 0.00 58.87 56.51 3i8e n SER 653 Cb 0.50 0.20 0.10 0.00 -0.75 0.00 0.00 64.21 64.27 3i8e n SER 653 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 3i8e h ASP 654 N 0.12 0.00 -3.92 -3.46 2.03 -1.83 -2.29 116.42 107.07 3i8e h ASP 654 Ca -0.02 0.00 -0.68 0.00 -0.73 0.00 0.00 57.03 55.60 3i8e h ASP 654 Cb 0.07 0.00 -0.37 0.00 -0.83 0.00 0.00 39.33 38.20 3i8e h ASP 654 CO 0.02 0.43 -0.53 -0.60 -1.03 0.00 0.00 179.24 177.54 3i8e s ARG 655 N -3.10 2.11 0.07 4.15 3.52 -1.26 -4.57 118.95 119.87 3i8e s ARG 655 Ca 0.03 -2.24 -0.31 0.00 -0.13 0.00 0.00 55.73 53.09 3i8e s ARG 655 Cb 0.08 -3.53 -0.07 0.00 -1.56 0.00 0.00 34.95 29.87 3i8e s ARG 655 CO 0.72 -1.10 1.36 -2.14 -0.81 0.00 0.00 175.30 173.33 3i8e s PRO 656 N 0.40 4.33 0.02 5.12 0.02 -1.26 -4.24 135.00 139.39 3i8e s PRO 656 Ca 0.13 1.98 0.05 0.00 0.02 0.00 0.00 61.00 63.19 3i8e s PRO 656 Cb -0.22 -3.36 -0.02 0.00 0.02 0.00 0.00 34.50 30.92 3i8e s PRO 656 CO -0.04 -0.44 -0.16 0.99 -0.33 0.00 0.00 177.00 177.02 3i8e s THR 657 N 1.48 1.26 0.07 0.99 2.01 -0.70 -0.66 115.64 120.09 3i8e s THR 657 Ca 0.63 -0.91 0.06 0.00 0.31 0.00 0.00 61.69 61.78 3i8e s THR 657 Cb -0.34 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 3i8e s THR 657 CO 0.29 0.17 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.58 3i8e s VAL 658 N -0.65 3.25 -0.56 3.82 1.01 -0.49 0.30 120.40 127.07 3i8e s VAL 658 Ca 0.04 -1.16 0.04 0.00 0.00 0.00 0.00 61.98 60.90 3i8e s VAL 658 Cb -0.07 -2.46 0.15 0.00 0.00 0.00 0.00 36.38 33.99 3i8e s VAL 658 CO 0.01 0.23 0.34 -0.63 0.00 0.00 0.00 175.10 175.04 3i8e s ILE 659 N -1.09 2.39 0.00 2.22 1.01 0.18 -2.44 121.20 123.47 3i8e s ILE 659 Ca 0.19 -3.48 0.00 0.00 0.00 0.00 0.00 60.65 57.35 3i8e s ILE 659 Cb -0.11 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.73 3i8e s ILE 659 CO 0.10 -0.90 0.00 -1.22 0.00 0.00 0.00 174.94 172.92 3i8e n TYR 660 N 2.79 0.00 -4.23 3.97 4.02 -1.25 -1.98 117.16 120.48 3i8e n TYR 660 Ca 0.11 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.82 3i8e n TYR 660 Cb 0.34 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.51 3i8e n TYR 660 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3i8e s SER 661 N -1.00 0.93 0.00 7.72 0.01 -1.26 -1.83 113.70 118.26 3i8e s SER 661 Ca 0.00 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.12 3i8e s SER 661 Cb 0.00 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.92 3i8e s SER 661 CO 0.00 0.01 0.00 -0.24 0.41 0.00 0.00 173.24 173.42 3i8e n SER 662 N 3.53 0.00 0.00 2.44 2.88 -0.08 -4.84 113.62 117.55 3i8e n SER 662 Ca -0.20 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 3i8e n SER 662 Cb 0.54 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 3i8e n SER 662 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3i8e n ASN 663 N -1.60 4.64 0.00 -3.46 6.94 -1.26 -4.90 115.26 115.63 3i8e n ASN 663 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3i8e n ASN 663 Cb 0.00 0.54 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 3i8e n ASN 663 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 3i8e n HIS 664 N -1.81 0.00 -1.56 -2.53 -0.00 -1.26 -4.95 115.22 103.12 3i8e n HIS 664 Ca 0.00 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.87 3i8e n HIS 664 Cb 0.38 0.00 0.06 0.00 -0.12 0.00 0.00 29.99 30.31 3i8e n HIS 664 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 3i8e s LYS 665 N 0.00 2.75 -0.26 1.57 1.02 -1.26 -5.04 119.74 118.52 3i8e s LYS 665 Ca 0.00 0.90 -0.09 0.00 0.02 0.00 0.00 55.97 56.80 3i8e s LYS 665 Cb 0.00 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 3i8e s LYS 665 CO 0.00 -1.22 0.13 -0.51 -0.92 0.00 0.00 175.35 172.83 3i8e s LEU 666 N -5.60 3.74 1.01 3.17 1.43 -1.26 -0.90 118.68 120.26 3i8e s LEU 666 Ca 0.59 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.48 3i8e s LEU 666 Cb -0.14 -2.02 0.19 0.00 0.03 0.00 0.00 46.19 44.25 3i8e s LEU 666 CO 0.55 -0.03 1.07 0.52 0.23 0.00 0.00 176.35 178.68 3i8e n VAL 667 N 4.94 0.00 -2.81 -1.59 0.31 -0.76 -4.86 118.33 113.55 3i8e n VAL 667 Ca -0.15 -0.16 -0.09 0.00 -0.01 0.00 0.00 64.34 63.93 3i8e n VAL 667 Cb 0.52 -0.98 0.03 0.00 -0.91 0.00 0.00 33.84 32.49 3i8e n VAL 667 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3i8e n PHE 668 N -4.49 -3.14 -4.17 3.52 7.35 -1.24 -3.82 117.46 111.47 3i8e n PHE 668 Ca 0.09 -1.86 -0.12 0.00 -0.76 0.00 0.00 57.45 54.79 3i8e n PHE 668 Cb 0.53 1.35 -0.10 0.00 0.35 0.00 0.00 39.48 41.61 3i8e n PHE 668 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3i8e s SER 669 N -1.04 1.27 0.89 -2.13 1.04 -1.02 -4.95 113.70 107.76 3i8e s SER 669 Ca 0.32 -0.94 -0.11 0.00 0.48 0.00 0.00 55.95 55.70 3i8e s SER 669 Cb 0.17 0.06 0.13 0.00 0.10 0.00 0.00 66.02 66.48 3i8e s SER 669 CO -0.19 -0.39 1.17 0.20 0.98 0.00 0.00 173.24 175.00 3i8e s ASN 670 N -2.85 3.08 -0.10 7.02 0.01 -1.26 -1.40 114.94 119.43 3i8e s ASN 670 Ca 0.10 2.25 -0.00 0.00 -0.71 0.00 0.00 52.86 54.49 3i8e s ASN 670 Cb 0.02 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.13 3i8e s ASN 670 CO -0.03 -3.01 -0.07 -0.69 -1.51 0.00 0.00 177.10 171.80 3i8e s VAL 671 N -2.50 0.96 -1.01 1.60 1.01 0.16 -2.22 120.40 118.40 3i8e s VAL 671 Ca 0.69 -0.26 -0.25 0.00 0.00 0.00 0.00 61.98 62.16 3i8e s VAL 671 Cb -0.25 -0.98 -0.15 0.00 0.00 0.00 0.00 36.38 35.00 3i8e s VAL 671 CO 0.56 0.35 2.12 0.20 0.00 0.00 0.00 175.10 178.33 3i8e s ASN 672 N 1.65 4.15 -0.03 3.32 0.01 0.98 -4.57 114.94 120.45 3i8e s ASN 672 Ca 0.03 -0.84 -0.13 0.00 -0.71 0.00 0.00 52.86 51.22 3i8e s ASN 672 Cb -0.13 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 38.97 3i8e s ASN 672 CO -0.07 -3.88 0.28 -0.76 -1.51 0.00 0.00 177.10 171.16 3i8e s LEU 673 N 14.13 0.96 0.00 0.60 1.43 -1.26 -4.34 118.68 130.20 3i8e s LEU 673 Ca 0.79 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 3i8e s LEU 673 Cb -0.06 1.13 0.00 0.00 0.03 0.00 0.00 46.19 47.28 3i8e s LEU 673 CO 0.12 -0.36 0.97 1.17 0.23 0.00 0.00 176.35 178.48 3i8e n LYS 674 N 1.66 0.00 -3.64 1.70 3.00 -1.26 -4.83 118.16 114.78 3i8e n LYS 674 Ca -0.20 0.87 -0.08 0.00 -0.00 0.00 0.00 58.31 58.90 3i8e n LYS 674 Cb 0.56 -1.47 -0.07 0.00 0.00 0.00 0.00 35.03 34.05 3i8e n LYS 674 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3i8e s GLU 675 N -2.90 0.55 -0.15 1.64 2.12 -1.26 -4.91 118.70 113.79 3i8e s GLU 675 Ca 0.00 0.75 0.00 0.00 0.36 0.00 0.00 54.97 56.08 3i8e s GLU 675 Cb 0.00 0.21 0.02 0.00 0.26 0.00 0.00 34.13 34.63 3i8e s GLU 675 CO 0.00 -0.08 -0.13 0.08 -0.54 0.00 0.00 175.26 174.58 3i8e s VAL 676 N 0.70 1.54 -0.19 3.70 1.01 -0.86 -4.64 120.40 121.66 3i8e s VAL 676 Ca -0.02 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 3i8e s VAL 676 Cb -0.05 -1.47 -0.13 0.00 0.00 0.00 0.00 36.38 34.74 3i8e s VAL 676 CO -0.09 0.43 0.02 0.59 0.00 0.00 0.00 175.10 176.04 3i8e n ASN 677 N 4.78 1.85 -3.83 3.32 5.03 0.50 -1.38 115.26 125.54 3i8e n ASN 677 Ca -0.16 0.49 -0.12 0.00 0.87 0.00 0.00 54.58 55.65 3i8e n ASN 677 Cb 0.50 -0.92 -0.11 0.00 -1.02 0.00 0.00 39.78 38.23 3i8e n ASN 677 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3i8e s TYR 678 N -2.35 -0.11 -0.02 3.10 1.51 -1.14 -4.70 117.35 113.65 3i8e s TYR 678 Ca -0.25 0.24 -0.17 0.00 -1.01 0.00 0.00 57.07 55.89 3i8e s TYR 678 Cb 0.05 0.03 0.03 0.00 -0.11 0.00 0.00 41.96 41.96 3i8e s TYR 678 CO 0.45 -0.20 0.35 1.41 -1.11 0.00 0.00 175.55 176.46 3i8e s MET 679 N -0.60 0.72 0.06 -0.62 -2.45 -1.26 -2.33 119.30 112.82 3i8e s MET 679 Ca -0.07 -0.15 -0.16 0.00 -1.25 0.00 0.00 55.69 54.06 3i8e s MET 679 Cb -0.04 0.32 0.03 0.00 1.25 0.00 0.00 34.83 36.39 3i8e s MET 679 CO 0.01 -0.21 0.36 0.00 1.05 0.00 0.00 175.02 176.24 3i8e s PRO 681 N -2.72 0.55 0.07 0.00 0.02 -1.26 0.24 135.00 131.90 3i8e s PRO 681 Ca -0.04 0.65 -0.01 0.00 0.02 0.00 0.00 61.00 61.62 3i8e s PRO 681 Cb -0.00 -1.74 0.01 0.00 0.02 0.00 0.00 34.50 32.78 3i8e s PRO 681 CO -0.04 -2.68 0.12 -0.11 -0.33 0.00 0.00 177.00 173.95 3i8e n LEU 682 N -4.16 0.00 0.00 -5.54 7.94 -0.53 -4.57 117.00 110.15 3i8e n LEU 682 Ca 0.06 -0.51 0.00 0.00 -1.11 0.00 0.00 56.01 54.44 3i8e n LEU 682 Cb 0.56 0.59 0.00 0.00 0.53 0.00 0.00 43.42 45.10 3i8e n LEU 682 CO 0.57 -0.14 0.00 -3.20 -1.11 0.00 0.00 177.39 173.51 3i8e n ASN 683 N -1.61 0.00 -4.63 1.96 2.85 -1.26 -4.09 115.26 108.49 3i8e n ASN 683 Ca -0.01 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.16 3i8e n ASN 683 Cb 0.11 0.00 0.18 0.00 1.24 0.00 0.00 39.78 41.31 3i8e n ASN 683 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 3i8e s SER 684 N 0.00 2.55 -0.01 1.20 0.15 -1.10 -3.71 113.70 112.79 3i8e s SER 684 Ca 0.00 1.82 0.01 0.00 0.70 0.00 0.00 55.95 58.48 3i8e s SER 684 Cb 0.00 -2.41 0.04 0.00 -1.71 0.00 0.00 66.02 61.95 3i8e s SER 684 CO 0.00 -3.27 0.85 -0.90 1.20 0.00 0.00 173.24 171.12 3i8e n ASP 685 N -4.32 0.65 0.00 5.45 5.75 -1.26 -1.80 116.55 121.02 3i8e n ASP 685 Ca 0.08 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 3i8e n ASP 685 Cb 0.53 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 3i8e n ASP 685 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i8e n GLY 686 N 0.36 0.00 2.44 6.12 0.00 -1.25 -4.84 105.19 108.02 3i8e n GLY 686 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 3i8e n GLY 686 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i8e n TYR 687 N -1.49 -1.62 -1.59 1.61 4.01 -1.05 -4.82 117.16 112.21 3i8e n TYR 687 Ca 0.00 -2.81 -0.32 0.00 -0.16 0.00 0.00 57.90 54.61 3i8e n TYR 687 Cb 0.18 0.46 0.06 0.00 -0.31 0.00 0.00 39.34 39.73 3i8e n TYR 687 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 3i8e s PRO 688 N -0.19 2.73 -0.44 -0.72 0.02 -0.75 -2.70 135.00 132.95 3i8e s PRO 688 Ca 0.33 1.18 0.00 0.00 0.02 0.00 0.00 61.00 62.54 3i8e s PRO 688 Cb 0.13 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.69 3i8e s PRO 688 CO -0.15 -1.28 0.00 -3.47 -0.33 0.00 0.00 177.00 171.76 3i8e n ASP 689 N -2.90 -3.39 -4.81 2.53 2.03 -1.26 -4.83 116.55 103.93 3i8e n ASP 689 Ca 0.09 0.10 -0.31 0.00 0.52 0.00 0.00 54.79 55.19 3i8e n ASP 689 Cb 0.53 -2.51 0.06 0.00 -0.72 0.00 0.00 41.12 38.47 3i8e n ASP 689 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3i8e s SER 690 N -1.46 5.24 -0.10 1.67 0.01 -1.24 -4.57 113.70 113.24 3i8e s SER 690 Ca 0.00 1.66 0.02 0.00 1.31 0.00 0.00 55.95 58.94 3i8e s SER 690 Cb 0.00 -2.50 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 3i8e s SER 690 CO 0.00 -1.54 -0.19 -0.76 0.41 0.00 0.00 173.24 171.16 3i8e s LEU 691 N -5.59 2.41 -0.04 2.44 1.43 -1.25 -1.45 118.68 116.64 3i8e s LEU 691 Ca 0.59 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 53.13 3i8e s LEU 691 Cb -0.15 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 3i8e s LEU 691 CO 0.55 0.19 0.36 0.00 0.23 0.00 0.00 176.35 177.68 3i8e s ALA 692 N 0.21 3.70 0.04 4.21 0.00 0.14 -2.95 121.76 127.11 3i8e s ALA 692 Ca -0.12 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.56 3i8e s ALA 692 Cb -0.16 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 3i8e s ALA 692 CO 0.06 0.44 -0.05 -0.51 0.00 0.00 0.00 175.76 175.70 3i8e s LEU 693 N -0.85 2.31 0.00 0.00 1.02 0.32 -1.93 118.68 119.55 3i8e s LEU 693 Ca 0.22 -0.64 -0.19 0.00 0.02 0.00 0.00 54.13 53.54 3i8e s LEU 693 Cb -0.16 -0.01 0.04 0.00 0.02 0.00 0.00 46.19 46.08 3i8e s LEU 693 CO 0.11 -0.32 0.42 0.00 0.02 0.00 0.00 176.35 176.59 3i8e s ALA 694 N -1.96 -1.06 0.00 4.21 0.00 -0.98 -1.46 121.76 120.51 3i8e s ALA 694 Ca -0.08 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.39 3i8e s ALA 694 Cb -0.06 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.23 3i8e s ALA 694 CO -0.02 -0.36 0.00 0.27 0.00 0.00 0.00 175.76 175.65 3i8e n ASN 695 N 0.90 0.13 0.05 0.00 6.94 -1.26 -0.37 115.26 121.66 3i8e n ASN 695 Ca -0.20 0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.26 3i8e n ASN 695 Cb 0.58 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.94 3i8e n ASN 695 CO 0.00 0.00 0.00 -1.13 -1.03 0.00 0.00 177.26 175.10 3i8e h ASN 696 N 0.00 -0.98 -5.02 0.53 -0.73 -1.92 -3.38 115.58 104.08 3i8e h ASN 696 Ca 0.00 0.11 -0.20 0.00 1.87 0.00 0.00 56.30 58.08 3i8e h ASN 696 Cb 0.00 0.37 -0.15 0.00 0.27 0.00 0.00 38.32 38.81 3i8e h ASN 696 CO 0.00 -0.32 -0.67 -0.94 -0.37 0.00 0.00 177.43 175.13 3i8e s SER 697 N -3.81 0.71 0.00 1.15 1.04 -1.26 -0.78 113.70 110.75 3i8e s SER 697 Ca -0.10 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.23 3i8e s SER 697 Cb 0.04 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.35 3i8e s SER 697 CO 0.36 -0.61 0.00 0.41 0.98 0.00 0.00 173.24 174.38 3i8e n THR 698 N -0.06 -1.24 -3.00 2.02 -1.04 -1.13 -4.84 114.28 104.99 3i8e n THR 698 Ca -0.09 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.64 3i8e n THR 698 Cb 0.62 -1.25 -0.02 0.00 -1.82 0.00 0.00 70.33 67.87 3i8e n THR 698 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3i8e s LEU 699 N 0.00 3.85 0.02 -4.42 2.96 -0.30 -4.02 118.68 116.76 3i8e s LEU 699 Ca 0.00 0.84 -0.06 0.00 -0.22 0.00 0.00 54.13 54.69 3i8e s LEU 699 Cb 0.00 -3.73 -0.00 0.00 0.50 0.00 0.00 46.19 42.96 3i8e s LEU 699 CO 0.00 -0.39 0.11 0.42 -1.32 0.00 0.00 176.35 175.18 3i8e s THR 700 N -2.41 0.10 -0.01 3.68 -4.23 -0.53 -3.90 115.64 108.34 3i8e s THR 700 Ca 0.46 -0.82 -0.07 0.00 -1.18 0.00 0.00 61.69 60.08 3i8e s THR 700 Cb -0.10 -0.55 0.00 0.00 1.34 0.00 0.00 72.50 73.19 3i8e s THR 700 CO 0.36 -0.45 0.14 0.27 -0.54 0.00 0.00 174.62 174.40 3i8e s ILE 701 N -1.76 0.06 0.00 2.99 -0.00 -1.26 -0.52 121.20 120.72 3i8e s ILE 701 Ca -0.12 -0.53 0.00 0.00 -0.00 0.00 0.00 60.65 60.00 3i8e s ILE 701 Cb -0.06 -0.39 0.00 0.00 -0.00 0.00 0.00 42.46 42.01 3i8e s ILE 701 CO -0.00 -0.29 0.00 0.61 -0.00 0.00 0.00 174.94 175.26 3i8e n GLY 702 N 1.81 4.43 3.60 6.27 0.00 -1.15 -1.22 105.19 118.93 3i8e n GLY 702 Ca -0.20 -1.28 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 3i8e n GLY 702 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i8e n THR 703 N -1.88 3.47 -3.82 2.61 -2.24 -1.24 -3.79 114.28 107.39 3i8e n THR 703 Ca 0.00 -0.47 -0.29 0.00 -2.27 0.00 0.00 64.05 61.02 3i8e n THR 703 Cb 0.00 -1.10 -0.04 0.00 -2.10 0.00 0.00 70.33 67.09 3i8e n THR 703 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3i8e s ILE 704 N -1.61 5.29 0.00 2.28 -1.09 -1.26 -2.08 121.20 122.73 3i8e s ILE 704 Ca 0.75 -0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.83 3i8e s ILE 704 Cb -0.39 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 36.82 3i8e s ILE 704 CO 0.48 0.01 0.00 0.47 -1.23 0.00 0.00 174.94 174.67 3i8e n ASP 705 N -0.11 0.00 0.00 3.58 8.00 -1.10 -5.01 116.55 121.90 3i8e n ASP 705 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 3i8e n ASP 705 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 3i8e n ASP 705 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3i8e n GLU 706 N 0.00 1.89 0.00 -1.24 2.13 -1.26 -5.00 120.64 117.15 3i8e n GLU 706 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3i8e n GLU 706 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3i8e n GLU 706 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3i8e n ILE 707 N 0.00 0.00 -1.02 6.31 5.41 -1.26 -5.02 119.36 123.79 3i8e n ILE 707 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.87 3i8e n ILE 707 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 38.89 3i8e n ILE 707 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i8e n GLN 708 N 0.00 -1.90 -0.02 0.38 0.00 -1.26 -4.74 117.38 109.83 3i8e n GLN 708 Ca 0.00 1.35 -0.20 0.00 0.00 0.00 0.00 57.00 58.16 3i8e n GLN 708 Cb 0.00 -2.40 -0.13 0.00 0.00 0.00 0.00 30.24 27.70 3i8e n GLN 708 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 3i8e h LYS 709 N -1.08 0.16 -4.88 2.61 3.64 -1.95 -3.42 116.57 111.65 3i8e h LYS 709 Ca -0.02 -0.27 -0.68 0.00 -1.27 0.00 0.00 60.65 58.41 3i8e h LYS 709 Cb 1.23 0.10 -0.18 0.00 -0.41 0.00 0.00 32.23 32.96 3i8e h LYS 709 CO 0.02 1.13 -0.25 -0.51 -2.27 0.00 0.00 179.45 177.56 3i8e s LEU 710 N -7.80 4.70 0.17 5.20 1.43 -1.26 -0.57 118.68 120.56 3i8e s LEU 710 Ca -0.20 -0.51 -0.28 0.00 -1.03 0.00 0.00 54.13 52.11 3i8e s LEU 710 Cb 0.03 -2.35 -0.08 0.00 0.03 0.00 0.00 46.19 43.82 3i8e s LEU 710 CO 0.73 -0.47 0.86 -2.28 0.23 0.00 0.00 176.35 175.42 3i8e s HIS 711 N 2.06 3.90 -0.13 0.29 5.65 0.73 -4.92 115.29 122.88 3i8e s HIS 711 Ca 0.11 1.74 0.01 0.00 0.25 0.00 0.00 55.06 57.18 3i8e s HIS 711 Cb -0.17 -2.90 0.02 0.00 -1.18 0.00 0.00 32.58 28.35 3i8e s HIS 711 CO 0.13 0.42 -0.15 0.42 -0.65 0.00 0.00 174.74 174.90 3i8e s ILE 712 N -0.84 1.57 0.00 0.89 1.01 -1.26 -0.81 121.20 121.75 3i8e s ILE 712 Ca 0.40 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3i8e s ILE 712 Cb -0.24 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.78 3i8e s ILE 712 CO 0.28 0.46 0.00 -1.14 0.00 0.00 0.00 174.94 174.54 3i8e n ARG 713 N 4.51 0.00 -0.31 2.79 0.63 -0.80 -4.95 116.66 118.53 3i8e n ARG 713 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 3i8e n ARG 713 Cb 0.51 -0.41 0.00 0.00 0.45 0.00 0.00 32.46 33.00 3i8e n ARG 713 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 3i8e n THR 714 N -0.54 -0.81 -3.92 5.15 -1.04 -1.25 -4.89 114.28 106.99 3i8e n THR 714 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 3i8e n THR 714 Cb 0.00 -1.03 -0.13 0.00 -1.82 0.00 0.00 70.33 67.35 3i8e n THR 714 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3i8e s VAL 715 N 0.00 2.75 -0.26 12.58 1.01 -0.09 -4.98 120.40 131.41 3i8e s VAL 715 Ca 0.00 -3.17 -0.29 0.00 0.00 0.00 0.00 61.98 58.52 3i8e s VAL 715 Cb 0.00 -2.89 -0.06 0.00 0.00 0.00 0.00 36.38 33.42 3i8e s VAL 715 CO 0.00 -0.79 2.23 -0.81 0.00 0.00 0.00 175.10 175.73 3i8e n PRO 716 N 3.28 1.74 0.04 2.72 -0.04 -1.26 -2.79 135.00 138.69 3i8e n PRO 716 Ca 0.05 0.46 -0.01 0.00 -0.04 0.00 0.00 63.50 63.96 3i8e n PRO 716 Cb 0.34 -3.09 -0.07 0.00 -0.04 0.00 0.00 33.50 30.64 3i8e n PRO 716 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3i8e h LEU 717 N 14.72 0.00 0.00 1.53 3.38 -1.70 -3.48 115.31 129.76 3i8e h LEU 717 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3i8e h LEU 717 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3i8e h LEU 717 CO 0.98 0.64 0.00 -1.22 0.09 0.00 0.00 178.44 178.93 3i8e n TYR 718 N -2.99 0.00 0.00 1.13 4.02 -1.07 -1.82 117.16 116.43 3i8e n TYR 718 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3i8e n TYR 718 Cb 0.85 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 39.66 3i8e n TYR 718 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3i8e n GLU 719 N -2.00 2.36 -3.53 -0.72 0.28 -1.23 -3.50 120.64 112.30 3i8e n GLU 719 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.85 3i8e n GLU 719 Cb 0.00 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.75 3i8e n GLU 719 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3i8e s SER 720 N 0.51 0.81 0.03 -1.84 1.04 -1.18 -1.46 113.70 111.61 3i8e s SER 720 Ca 0.00 0.15 -0.21 0.00 0.48 0.00 0.00 55.95 56.36 3i8e s SER 720 Cb 0.00 0.62 -0.06 0.00 0.10 0.00 0.00 66.02 66.69 3i8e s SER 720 CO 0.00 -0.29 0.63 -2.16 0.98 0.00 0.00 173.24 172.40 3i8e s PRO 721 N 2.40 4.35 -0.26 4.02 0.04 -1.26 -1.51 135.00 142.78 3i8e s PRO 721 Ca 0.06 0.82 -0.17 0.00 0.04 0.00 0.00 61.00 61.75 3i8e s PRO 721 Cb -0.14 -3.33 -0.14 0.00 0.04 0.00 0.00 34.50 30.93 3i8e s PRO 721 CO -0.11 0.40 -0.17 0.54 0.04 0.00 0.00 177.00 177.70 3i8e n ARG 722 N 2.52 0.58 -4.10 4.56 1.74 0.33 -4.83 116.66 117.47 3i8e n ARG 722 Ca -0.06 0.37 -0.08 0.00 -0.77 0.00 0.00 57.85 57.30 3i8e n ARG 722 Cb 0.51 -1.58 -0.10 0.00 -1.02 0.00 0.00 32.46 30.27 3i8e n ARG 722 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3i8e s LYS 723 N -2.46 0.68 -0.01 5.56 1.02 -1.24 -4.37 119.74 118.91 3i8e s LYS 723 Ca -0.36 -1.26 0.02 0.00 0.02 0.00 0.00 55.97 54.39 3i8e s LYS 723 Cb 0.12 0.22 -0.00 0.00 -0.52 0.00 0.00 37.83 37.65 3i8e s LYS 723 CO 0.52 -0.14 -0.08 -1.50 -0.92 0.00 0.00 175.35 173.23 3i8e s ILE 724 N -3.95 0.64 0.06 2.17 2.07 -1.26 -1.24 121.20 119.69 3i8e s ILE 724 Ca 0.11 -0.31 0.05 0.00 -1.41 0.00 0.00 60.65 59.08 3i8e s ILE 724 Cb 0.08 -0.56 -0.03 0.00 0.13 0.00 0.00 42.46 42.08 3i8e s ILE 724 CO -0.07 0.20 -0.14 0.00 -1.91 0.00 0.00 174.94 173.01 3i8e s TYR 726 N -1.09 3.64 -0.51 0.00 5.04 -1.26 -1.12 117.35 122.05 3i8e s TYR 726 Ca -0.00 -2.63 -0.23 0.00 -2.44 0.00 0.00 57.07 51.77 3i8e s TYR 726 Cb -0.09 -3.02 0.04 0.00 0.35 0.00 0.00 41.96 39.24 3i8e s TYR 726 CO 0.02 -0.95 0.82 -1.14 -1.34 0.00 0.00 175.55 172.96 3i8e s GLN 727 N 1.05 3.30 -0.02 4.97 0.74 -1.12 -4.92 119.66 123.66 3i8e s GLN 727 Ca 0.08 -0.36 -0.05 0.00 0.05 0.00 0.00 55.36 55.08 3i8e s GLN 727 Cb -0.21 -4.03 -0.29 0.00 1.10 0.00 0.00 33.01 29.59 3i8e s GLN 727 CO -0.06 -1.31 0.76 1.49 -0.55 0.00 0.00 175.29 175.62 3i8e h GLU 728 N 9.14 0.29 -0.44 1.67 4.22 -1.97 -0.29 114.58 127.20 3i8e h GLU 728 Ca -0.26 -0.50 0.13 0.00 0.08 0.00 0.00 59.36 58.81 3i8e h GLU 728 Cb 1.08 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 3i8e h GLU 728 CO 1.02 1.17 0.45 -0.24 -2.18 0.00 0.00 179.01 179.22 3i8e h VAL 729 N 0.08 0.41 0.00 0.32 3.04 -1.97 -1.65 116.25 116.48 3i8e h VAL 729 Ca -0.29 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 3i8e h VAL 729 Cb 2.05 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.98 3i8e h VAL 729 CO 0.16 0.00 -1.97 -1.20 -1.01 0.00 0.00 177.57 173.55 3i8e n SER 730 N -3.79 0.03 -2.93 3.17 7.64 -1.16 -5.03 113.62 111.54 3i8e n SER 730 Ca 0.08 0.01 -0.13 0.00 1.01 0.00 0.00 58.87 59.84 3i8e n SER 730 Cb 0.63 1.95 0.07 0.00 -1.01 0.00 0.00 64.21 65.85 3i8e n SER 730 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i8e n GLN 731 N -2.27 -3.78 -3.55 1.43 1.13 -0.16 -5.02 117.38 105.15 3i8e n GLN 731 Ca -0.04 0.69 -0.10 0.00 -1.94 0.00 0.00 57.00 55.61 3i8e n GLN 731 Cb 0.57 -5.10 -0.04 0.00 0.11 0.00 0.00 30.24 25.77 3i8e n GLN 731 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i8e s PHE 733 N -1.72 3.62 -0.18 0.00 0.40 0.19 -2.79 117.98 117.49 3i8e s PHE 733 Ca 0.00 0.64 -0.07 0.00 -0.60 0.00 0.00 56.93 56.90 3i8e s PHE 733 Cb -0.01 -2.03 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 3i8e s PHE 733 CO -0.01 0.68 0.05 0.20 0.70 0.00 0.00 175.22 176.84 3i8e s GLY 734 N -1.28 1.89 -0.03 4.36 0.00 -0.28 -0.07 107.32 111.91 3i8e s GLY 734 Ca 0.21 -0.76 -0.01 0.00 0.00 0.00 0.00 44.72 44.16 3i8e s GLY 734 CO 0.10 0.05 0.05 0.14 0.00 0.00 0.00 173.10 173.44 3i8e s VAL 735 N 0.39 -0.09 -0.08 1.40 1.01 -0.60 -0.69 120.40 121.75 3i8e s VAL 735 Ca 0.02 0.31 -0.27 0.00 0.00 0.00 0.00 61.98 62.04 3i8e s VAL 735 Cb -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 3i8e s VAL 735 CO 0.00 0.13 0.89 -0.76 0.00 0.00 0.00 175.10 175.36 3i8e s LEU 736 N 1.56 4.28 0.00 3.92 1.43 -0.37 -0.49 118.68 129.01 3i8e s LEU 736 Ca -0.03 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 3i8e s LEU 736 Cb -0.13 -3.38 -0.00 0.00 0.03 0.00 0.00 46.19 42.72 3i8e s LEU 736 CO -0.03 -0.30 0.01 -1.54 0.23 0.00 0.00 176.35 174.71 3i8e n SER 737 N 4.44 3.37 -3.65 2.29 3.41 0.11 0.12 113.62 123.72 3i8e n SER 737 Ca 0.05 -3.29 -0.03 0.00 -0.26 0.00 0.00 58.87 55.34 3i8e n SER 737 Cb 0.50 0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 64.79 3i8e n SER 737 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3i8e s SER 738 N -3.86 -0.96 0.04 4.04 0.15 -0.57 -2.07 113.70 110.47 3i8e s SER 738 Ca 0.01 1.45 0.07 0.00 0.70 0.00 0.00 55.95 58.18 3i8e s SER 738 Cb 0.00 2.04 -0.03 0.00 -1.71 0.00 0.00 66.02 66.32 3i8e s SER 738 CO 0.01 -0.22 -0.18 0.00 1.20 0.00 0.00 173.24 174.04 3i8e s ARG 739 N 2.73 2.07 -0.06 5.44 1.70 0.11 -3.10 118.95 127.84 3i8e s ARG 739 Ca -0.06 -0.98 -0.15 0.00 -0.47 0.00 0.00 55.73 54.07 3i8e s ARG 739 Cb -0.11 -2.19 -0.05 0.00 -0.57 0.00 0.00 34.95 32.03 3i8e s ARG 739 CO -0.18 0.54 0.41 0.42 -1.08 0.00 0.00 175.30 175.41 3i8e s ILE 740 N -0.93 5.11 0.29 4.99 1.01 -1.26 0.19 121.20 130.60 3i8e s ILE 740 Ca 0.15 0.83 0.05 0.00 0.00 0.00 0.00 60.65 61.68 3i8e s ILE 740 Cb -0.10 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 38.58 3i8e s ILE 740 CO 0.05 0.48 -0.02 -1.61 0.00 0.00 0.00 174.94 173.85 3i8e s GLU 741 N -0.39 1.55 -0.05 2.79 2.02 -0.61 -4.49 118.70 119.53 3i8e s GLU 741 Ca 0.23 -1.81 0.03 0.00 0.02 0.00 0.00 54.97 53.45 3i8e s GLU 741 Cb -0.16 -1.00 -0.03 0.00 0.10 0.00 0.00 34.13 33.05 3i8e s GLU 741 CO 0.11 -0.05 -0.14 0.14 0.02 0.00 0.00 175.26 175.35 3i8e s VAL 742 N -3.15 3.13 0.21 2.63 -7.23 -1.26 -1.99 120.40 112.75 3i8e s VAL 742 Ca 0.31 -0.72 -0.32 0.00 -1.81 0.00 0.00 61.98 59.44 3i8e s VAL 742 Cb 0.06 -2.24 -0.15 0.00 0.56 0.00 0.00 36.38 34.61 3i8e s VAL 742 CO 0.12 0.58 1.24 0.00 -0.31 0.00 0.00 175.10 176.73 3i8e n GLN 743 N 2.24 1.52 -4.46 4.82 10.64 -0.50 -3.26 117.38 128.39 3i8e n GLN 743 Ca -0.17 0.54 -0.27 0.00 -1.83 0.00 0.00 57.00 55.27 3i8e n GLN 743 Cb 0.52 -2.09 -0.09 0.00 -0.86 0.00 0.00 30.24 27.72 3i8e n GLN 743 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 3i8e s ASP 744 N 0.06 4.08 0.33 2.61 3.84 0.41 -4.92 116.67 123.09 3i8e s ASP 744 Ca 0.70 -1.29 0.03 0.00 -0.00 0.00 0.00 52.55 51.99 3i8e s ASP 744 Cb -0.76 -0.37 0.59 0.00 -1.38 0.00 0.00 42.92 41.00 3i8e s ASP 744 CO 0.52 -0.51 1.92 0.71 -0.00 0.00 0.00 175.17 177.81 3i8e h THR 745 N 1.62 1.18 0.31 2.11 1.35 -1.95 -3.01 112.91 114.52 3i8e h THR 745 Ca -0.43 -0.58 -0.02 0.00 -0.55 0.00 0.00 66.41 64.83 3i8e h THR 745 Cb 1.25 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 3i8e h THR 745 CO 0.77 0.22 -0.15 0.77 -0.25 0.00 0.00 175.52 176.88 3i8e h SER 746 N 0.69 -0.35 0.00 5.36 4.64 -2.03 -3.47 113.55 118.39 3i8e h SER 746 Ca 0.17 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3i8e h SER 746 Cb 0.15 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3i8e h SER 746 CO -0.02 -0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 3i8e n GLY 747 N -0.41 -0.20 0.00 -0.77 0.00 -1.14 -5.17 105.19 97.50 3i8e n GLY 747 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3i8e n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8e n GLY 748 N 0.00 4.45 3.30 -0.02 0.00 -1.26 -4.86 105.19 106.80 3i8e n GLY 748 Ca 0.00 -2.02 -0.16 0.00 0.00 0.00 0.00 46.02 43.84 3i8e n GLY 748 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i8e s THR 749 N 1.64 1.32 0.00 2.61 -4.23 -1.26 -0.44 115.64 115.28 3i8e s THR 749 Ca 0.00 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 3i8e s THR 749 Cb 0.00 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.83 3i8e s THR 749 CO 0.00 -0.62 0.00 0.35 -0.54 0.00 0.00 174.62 173.81 3i8e n THR 750 N -0.30 0.00 -3.87 3.99 -2.24 -1.20 -4.97 114.28 105.69 3i8e n THR 750 Ca -0.09 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.60 3i8e n THR 750 Cb 0.61 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.76 3i8e n THR 750 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8e s ALA 751 N -2.00 -0.24 -0.07 6.98 0.00 -1.26 -4.28 121.76 120.90 3i8e s ALA 751 Ca 0.00 -0.50 0.21 0.00 0.00 0.00 0.00 51.96 51.67 3i8e s ALA 751 Cb 0.00 0.38 -0.31 0.00 0.00 0.00 0.00 23.12 23.18 3i8e s ALA 751 CO 0.00 -0.43 0.41 1.28 0.00 0.00 0.00 175.76 177.03 3i8e n LEU 752 N 0.31 0.03 -3.48 0.00 4.77 -1.26 -4.92 117.00 112.44 3i8e n LEU 752 Ca -0.17 0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.72 3i8e n LEU 752 Cb 0.61 0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.77 3i8e n LEU 752 CO 0.23 0.10 0.49 0.00 -1.33 0.00 0.00 177.39 176.87 3i8e s ARG 753 N -3.31 1.18 -0.12 3.23 1.70 -1.26 -5.12 118.95 115.25 3i8e s ARG 753 Ca -0.08 -0.46 -0.29 0.00 -0.47 0.00 0.00 55.73 54.43 3i8e s ARG 753 Cb 0.12 0.53 -0.06 0.00 -0.57 0.00 0.00 34.95 34.98 3i8e s ARG 753 CO 0.89 -0.52 1.89 -1.25 -1.08 0.00 0.00 175.30 175.23 3i8e s PRO 754 N -3.58 3.77 0.00 3.89 0.04 -1.26 -4.98 135.00 132.88 3i8e s PRO 754 Ca 0.03 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.19 3i8e s PRO 754 Cb -0.01 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.36 3i8e s PRO 754 CO -0.10 -1.36 0.00 0.43 0.04 0.00 0.00 177.00 176.01 3i8e n SER 755 N 8.89 0.37 0.10 6.66 7.64 -1.26 -4.91 113.62 131.11 3i8e n SER 755 Ca 0.22 -0.19 -0.17 0.00 1.01 0.00 0.00 58.87 59.74 3i8e n SER 755 Cb 0.44 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.49 3i8e n SER 755 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i8e h ALA 756 N -0.40 0.10 0.00 -0.43 0.00 -1.70 -3.23 119.26 113.60 3i8e h ALA 756 Ca 0.00 -0.93 -0.15 0.00 0.00 0.00 0.00 54.91 53.83 3i8e h ALA 756 Cb 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3i8e h ALA 756 CO 0.00 0.97 -0.73 0.66 0.00 0.00 0.00 179.25 180.15 3i8e h SER 757 N 0.08 0.00 0.18 0.00 4.64 -1.97 -3.12 113.55 113.37 3i8e h SER 757 Ca -0.17 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 3i8e h SER 757 Cb 2.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.10 3i8e h SER 757 CO 0.20 0.70 -0.09 0.71 -0.87 0.00 0.00 176.83 177.49 3i8e h THR 758 N 0.00 0.08 -0.14 2.95 1.35 -1.96 -3.30 112.91 111.89 3i8e h THR 758 Ca -0.01 -0.87 -0.08 0.00 -0.55 0.00 0.00 66.41 64.91 3i8e h THR 758 Cb 1.54 0.14 -0.04 0.00 -1.73 0.00 0.00 68.15 68.06 3i8e h THR 758 CO 0.09 0.02 0.10 0.00 -0.25 0.00 0.00 175.52 175.48 3i8e n GLN 759 N -4.94 1.18 -2.52 4.72 1.13 -1.22 -4.90 117.38 110.84 3i8e n GLN 759 Ca -0.03 -0.43 -0.37 0.00 -1.94 0.00 0.00 57.00 54.23 3i8e n GLN 759 Cb 0.11 -1.17 -0.04 0.00 0.11 0.00 0.00 30.24 29.26 3i8e n GLN 759 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i8e s ALA 760 N -0.47 3.08 0.48 -1.58 0.00 -1.18 -4.96 121.76 117.14 3i8e s ALA 760 Ca 0.08 0.72 0.22 0.00 0.00 0.00 0.00 51.96 52.98 3i8e s ALA 760 Cb 0.07 -3.28 1.36 0.00 0.00 0.00 0.00 23.12 21.26 3i8e s ALA 760 CO 0.01 -0.24 2.09 -0.07 0.00 0.00 0.00 175.76 177.55 3i8e h LEU 761 N 2.48 0.00 -7.00 0.00 3.38 -1.70 -3.43 115.31 109.03 3i8e h LEU 761 Ca -0.48 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 3i8e h LEU 761 Cb 1.22 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.74 3i8e h LEU 761 CO 0.62 0.10 0.24 -0.94 0.09 0.00 0.00 178.44 178.55 3i8e s SER 762 N -6.55 -0.65 0.23 -0.43 1.04 -1.24 -5.02 113.70 101.07 3i8e s SER 762 Ca -0.04 1.25 0.00 0.00 0.48 0.00 0.00 55.95 57.64 3i8e s SER 762 Cb 0.15 1.27 -0.05 0.00 0.10 0.00 0.00 66.02 67.49 3i8e s SER 762 CO 0.63 -0.22 0.11 -0.94 0.98 0.00 0.00 173.24 173.80 3i8e s SER 763 N 0.37 0.71 -0.13 7.02 1.04 -1.26 -0.96 113.70 120.48 3i8e s SER 763 Ca 0.01 -1.39 -0.29 0.00 0.48 0.00 0.00 55.95 54.75 3i8e s SER 763 Cb -0.05 0.27 0.09 0.00 0.10 0.00 0.00 66.02 66.43 3i8e s SER 763 CO -0.02 -0.78 0.81 -0.94 0.98 0.00 0.00 173.24 173.28 3i8e s SER 764 N -3.24 -0.57 0.56 7.02 1.04 -1.08 -4.94 113.70 112.48 3i8e s SER 764 Ca 0.38 0.74 0.05 0.00 0.48 0.00 0.00 55.95 57.60 3i8e s SER 764 Cb 0.07 0.62 0.04 0.00 0.10 0.00 0.00 66.02 66.86 3i8e s SER 764 CO 0.13 -0.45 0.37 0.54 0.98 0.00 0.00 173.24 174.81 3i8e s VAL 765 N -0.84 1.47 0.20 5.02 0.11 -1.26 0.00 120.40 125.10 3i8e s VAL 765 Ca -0.06 -1.55 -0.07 0.00 -2.93 0.00 0.00 61.98 57.37 3i8e s VAL 765 Cb -0.01 -2.03 -0.06 0.00 -1.53 0.00 0.00 36.38 32.75 3i8e s VAL 765 CO 0.05 0.00 0.47 -0.44 -3.33 0.00 0.00 175.10 171.86 3i8e s SER 766 N -4.26 6.56 0.00 3.54 0.01 -0.89 -4.84 113.70 113.82 3i8e s SER 766 Ca 0.29 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.31 3i8e s SER 766 Cb -0.02 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.05 3i8e s SER 766 CO 0.18 -0.03 0.23 -1.54 0.41 0.00 0.00 173.24 172.49 3i8e n SER 767 N -0.09 0.46 -4.57 2.44 3.41 -1.26 -4.94 113.62 109.07 3i8e n SER 767 Ca -0.01 -0.73 -0.42 0.00 -0.26 0.00 0.00 58.87 57.45 3i8e n SER 767 Cb 0.52 0.47 0.01 0.00 -0.26 0.00 0.00 64.21 64.95 3i8e n SER 767 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3i8e n SER 768 N -0.47 0.74 -0.42 4.04 2.88 -1.26 -4.94 113.62 114.18 3i8e n SER 768 Ca 0.00 1.02 0.07 0.00 -1.33 0.00 0.00 58.87 58.63 3i8e n SER 768 Cb 0.01 -1.29 0.16 0.00 -0.75 0.00 0.00 64.21 62.34 3i8e n SER 768 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i8e n LYS 769 N 0.29 1.26 0.00 -1.46 4.76 -1.26 -4.85 118.16 116.90 3i8e n LYS 769 Ca 0.10 -2.78 0.13 0.00 -2.87 0.00 0.00 58.31 52.90 3i8e n LYS 769 Cb 0.38 -1.40 0.66 0.00 -1.84 0.00 0.00 35.03 32.83 3i8e n LYS 769 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i8e n LEU 770 N -1.09 0.00 -4.30 -0.35 4.77 -1.26 -4.86 117.00 109.91 3i8e n LEU 770 Ca 0.16 0.34 -0.27 0.00 -0.03 0.00 0.00 56.01 56.21 3i8e n LEU 770 Cb 0.70 -0.34 -0.14 0.00 -2.33 0.00 0.00 43.42 41.31 3i8e n LEU 770 CO -0.02 -0.03 -0.54 -0.36 -1.33 0.00 0.00 177.39 175.12 3i8e s PHE 771 N -2.67 1.97 0.00 -1.77 0.40 -1.26 -5.06 117.98 109.59 3i8e s PHE 771 Ca 0.23 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 3i8e s PHE 771 Cb 0.18 -1.14 0.00 0.00 0.51 0.00 0.00 43.02 42.57 3i8e s PHE 771 CO 0.43 0.16 0.00 0.43 0.70 0.00 0.00 175.22 176.94 3i8e n SER 772 N 1.52 0.00 0.00 1.36 7.64 -1.26 -5.24 113.62 117.64 3i8e n SER 772 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 3i8e n SER 772 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 3i8e n SER 772 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3i8e n SER 773 N 0.00 0.00 -2.06 6.43 3.41 -1.26 -5.32 113.62 114.81 3i8e n SER 773 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i8e n SER 773 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3i8e n SER 773 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8e n GLY 783 N 0.00 0.00 2.72 5.00 0.00 -1.26 -5.38 105.19 106.27 3i8e n GLY 783 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3i8e n GLY 783 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i8e s GLU 784 N -2.69 0.48 -0.13 1.61 2.02 -1.26 -5.08 118.70 113.65 3i8e s GLU 784 Ca 0.00 -0.12 -0.05 0.00 0.02 0.00 0.00 54.97 54.82 3i8e s GLU 784 Cb 0.00 -1.55 -0.04 0.00 0.10 0.00 0.00 34.13 32.64 3i8e s GLU 784 CO 0.00 -0.51 0.07 -1.21 0.02 0.00 0.00 175.26 173.63 3i8e s GLU 785 N 1.97 3.45 -0.05 1.61 2.02 -1.26 -1.41 118.70 125.03 3i8e s GLU 785 Ca 0.02 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 54.72 3i8e s GLU 785 Cb -0.15 -3.06 0.03 0.00 0.10 0.00 0.00 34.13 31.05 3i8e s GLU 785 CO -0.07 0.60 -0.01 0.54 0.02 0.00 0.00 175.26 176.34 3i8e s VAL 786 N -0.55 0.36 0.21 2.63 0.11 -0.84 -4.98 120.40 117.34 3i8e s VAL 786 Ca 0.11 0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.88 3i8e s VAL 786 Cb -0.12 -0.45 -0.09 0.00 -1.53 0.00 0.00 36.38 34.19 3i8e s VAL 786 CO 0.02 0.21 1.38 -1.61 -3.33 0.00 0.00 175.10 171.77 3i8e s GLU 787 N 1.29 4.33 -0.10 1.54 2.02 -1.26 -1.57 118.70 124.95 3i8e s GLU 787 Ca -0.06 2.17 0.01 0.00 0.02 0.00 0.00 54.97 57.11 3i8e s GLU 787 Cb -0.13 -3.16 -0.02 0.00 0.10 0.00 0.00 34.13 30.91 3i8e s GLU 787 CO -0.02 -0.35 -0.13 0.08 0.02 0.00 0.00 175.26 174.86 3i8e s VAL 788 N 0.18 3.07 0.26 2.63 1.01 0.50 -4.66 120.40 123.38 3i8e s VAL 788 Ca 0.59 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.98 3i8e s VAL 788 Cb -0.39 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 3i8e s VAL 788 CO 0.39 0.55 0.09 -1.00 0.00 0.00 0.00 175.10 175.13 3i8e s HIS 789 N 0.00 2.88 -0.17 5.22 3.76 -1.26 0.05 115.29 125.76 3i8e s HIS 789 Ca -0.04 -0.18 -0.19 0.00 -0.15 0.00 0.00 55.06 54.51 3i8e s HIS 789 Cb -0.14 -1.30 0.05 0.00 1.11 0.00 0.00 32.58 32.30 3i8e s HIS 789 CO 0.04 0.57 0.51 -0.80 -0.85 0.00 0.00 174.74 174.21 3i8e s ASN 790 N -3.75 -0.52 0.11 1.40 0.01 -0.88 -2.05 114.94 109.26 3i8e s ASN 790 Ca 0.32 0.96 -0.21 0.00 -0.71 0.00 0.00 52.86 53.22 3i8e s ASN 790 Cb -0.07 0.98 -0.07 0.00 0.41 0.00 0.00 41.25 42.50 3i8e s ASN 790 CO 0.22 -0.22 0.63 -0.22 -1.51 0.00 0.00 177.10 176.00 3i8e s LEU 791 N 0.08 4.53 -0.05 0.60 2.96 -0.44 0.07 118.68 126.43 3i8e s LEU 791 Ca -0.02 1.37 0.05 0.00 -0.22 0.00 0.00 54.13 55.31 3i8e s LEU 791 Cb -0.03 -3.06 -0.00 0.00 0.50 0.00 0.00 46.19 43.59 3i8e s LEU 791 CO 0.02 0.24 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.33 3i8e s LEU 792 N -1.20 1.95 -0.24 -0.68 1.43 0.35 -0.81 118.68 119.48 3i8e s LEU 792 Ca 0.32 -0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 52.92 3i8e s LEU 792 Cb -0.20 -1.08 -0.05 0.00 0.03 0.00 0.00 46.19 44.89 3i8e s LEU 792 CO 0.21 0.17 0.15 -0.63 0.23 0.00 0.00 176.35 176.48 3i8e s ILE 793 N 0.05 5.28 -0.18 -0.59 -1.09 0.21 -1.55 121.20 123.34 3i8e s ILE 793 Ca -0.05 0.15 0.01 0.00 -2.23 0.00 0.00 60.65 58.52 3i8e s ILE 793 Cb -0.13 -3.46 0.03 0.00 -1.58 0.00 0.00 42.46 37.33 3i8e s ILE 793 CO 0.03 0.35 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.35 3i8e s ILE 794 N 1.03 1.56 0.24 2.92 1.01 0.91 -0.32 121.20 128.54 3i8e s ILE 794 Ca 0.07 -0.82 -0.31 0.00 0.00 0.00 0.00 60.65 59.59 3i8e s ILE 794 Cb -0.13 -1.58 -0.14 0.00 0.01 0.00 0.00 42.46 40.62 3i8e s ILE 794 CO 0.04 0.28 1.36 -0.67 0.00 0.00 0.00 174.94 175.95 3i8e n ASP 795 N 4.74 2.53 0.13 3.58 -0.08 -1.06 0.52 116.55 126.91 3i8e n ASP 795 Ca -0.15 1.15 0.01 0.00 -1.51 0.00 0.00 54.79 54.28 3i8e n ASP 795 Cb 0.48 -1.40 0.04 0.00 2.34 0.00 0.00 41.12 42.58 3i8e n ASP 795 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 3i8e h GLN 796 N 3.99 0.00 0.14 -0.67 3.07 -1.90 -1.40 115.11 118.34 3i8e h GLN 796 Ca -0.45 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 57.98 3i8e h GLN 796 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.84 3i8e h GLN 796 CO 0.74 0.59 -1.57 0.45 0.09 0.00 0.00 178.83 179.13 3i8e h HIS 797 N 0.00 0.52 0.00 0.06 3.86 -1.90 -3.39 115.15 114.30 3i8e h HIS 797 Ca -0.01 -0.38 -0.16 0.00 -1.16 0.00 0.00 60.37 58.66 3i8e h HIS 797 Cb 1.40 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.82 3i8e h HIS 797 CO 0.00 1.44 -2.00 0.25 0.86 0.00 0.00 177.93 178.48 3i8e n THR 798 N -3.49 0.61 -2.26 2.45 -2.24 -1.25 -5.00 114.28 103.11 3i8e n THR 798 Ca -0.18 -0.57 -0.13 0.00 -2.27 0.00 0.00 64.05 60.90 3i8e n THR 798 Cb 1.05 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 69.01 3i8e n THR 798 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3i8e n PHE 799 N -2.39 -1.23 -1.96 4.78 3.01 -0.53 -5.00 117.46 114.14 3i8e n PHE 799 Ca -0.16 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 57.99 3i8e n PHE 799 Cb 0.78 -2.76 0.00 0.00 -0.01 0.00 0.00 39.48 37.49 3i8e n PHE 799 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3i8e s GLU 800 N -4.69 3.66 -0.87 -1.08 2.02 -1.26 -4.87 118.70 111.60 3i8e s GLU 800 Ca 0.00 0.79 -0.23 0.00 0.02 0.00 0.00 54.97 55.55 3i8e s GLU 800 Cb 0.00 -2.09 0.07 0.00 0.10 0.00 0.00 34.13 32.21 3i8e s GLU 800 CO 0.00 -0.52 1.25 0.08 0.02 0.00 0.00 175.26 176.09 3i8e s VAL 801 N -3.08 4.14 0.20 2.63 1.01 -1.26 -2.56 120.40 121.48 3i8e s VAL 801 Ca 0.56 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 3i8e s VAL 801 Cb -0.11 -4.90 0.12 0.00 0.00 0.00 0.00 36.38 31.50 3i8e s VAL 801 CO 0.50 -1.74 1.77 -0.07 0.00 0.00 0.00 175.10 175.56 3i8e h LEU 802 N 12.03 0.34 -7.35 3.92 3.38 -1.04 -2.65 115.31 123.93 3i8e h LEU 802 Ca 0.00 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3i8e h LEU 802 Cb 1.03 -0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.60 3i8e h LEU 802 CO 1.28 0.22 -0.10 -2.28 0.09 0.00 0.00 178.44 177.64 3i8e s HIS 803 N -6.10 -0.31 -0.23 1.13 5.04 -0.94 -3.66 115.29 110.22 3i8e s HIS 803 Ca -0.13 0.39 -0.03 0.00 -1.54 0.00 0.00 55.06 53.75 3i8e s HIS 803 Cb 0.16 0.22 0.08 0.00 0.04 0.00 0.00 32.58 33.07 3i8e s HIS 803 CO 0.75 -0.53 0.08 0.00 -2.34 0.00 0.00 174.74 172.70 3i8e s ALA 804 N -1.92 0.81 -0.20 1.58 0.00 -0.13 0.66 121.76 122.56 3i8e s ALA 804 Ca -0.09 -0.81 -0.20 0.00 0.00 0.00 0.00 51.96 50.86 3i8e s ALA 804 Cb -0.02 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 3i8e s ALA 804 CO 0.02 -1.36 0.61 -1.58 0.00 0.00 0.00 175.76 173.44 3i8e s HIS 805 N 1.97 3.38 -0.13 0.00 5.04 0.01 -2.63 115.29 122.92 3i8e s HIS 805 Ca 0.04 0.89 -0.16 0.00 -1.54 0.00 0.00 55.06 54.30 3i8e s HIS 805 Cb -0.17 -2.77 -0.05 0.00 0.04 0.00 0.00 32.58 29.64 3i8e s HIS 805 CO -0.18 -0.16 0.38 -1.14 -2.34 0.00 0.00 174.74 171.30 3i8e s GLN 806 N 1.84 4.26 0.26 2.88 0.74 0.10 -1.32 119.66 128.42 3i8e s GLN 806 Ca 0.28 0.27 -0.04 0.00 0.05 0.00 0.00 55.36 55.92 3i8e s GLN 806 Cb -0.16 -3.41 0.06 0.00 1.10 0.00 0.00 33.01 30.60 3i8e s GLN 806 CO 0.10 0.25 0.35 1.19 -0.55 0.00 0.00 175.29 176.63 3i8e n PHE 807 N 3.46 -3.91 -1.42 1.67 3.01 -0.87 -2.09 117.46 117.30 3i8e n PHE 807 Ca -0.10 -0.34 -0.30 0.00 1.01 0.00 0.00 57.45 57.72 3i8e n PHE 807 Cb 0.52 -0.27 0.19 0.00 -0.01 0.00 0.00 39.48 39.91 3i8e n PHE 807 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i8e s LEU 808 N 0.00 1.62 0.25 4.37 1.43 -1.26 -4.58 118.68 120.51 3i8e s LEU 808 Ca 0.20 0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 53.67 3i8e s LEU 808 Cb -0.01 -2.66 -0.09 0.00 0.03 0.00 0.00 46.19 43.46 3i8e s LEU 808 CO 0.14 -3.29 1.24 -1.58 0.23 0.00 0.00 176.35 173.09 3i8e s GLN 809 N -5.46 4.46 -1.07 1.70 0.74 -1.26 -2.99 119.66 115.78 3i8e s GLN 809 Ca 0.69 2.01 0.00 0.00 0.05 0.00 0.00 55.36 58.11 3i8e s GLN 809 Cb -0.10 -3.17 0.00 0.00 1.10 0.00 0.00 33.01 30.84 3i8e s GLN 809 CO 0.55 -0.10 0.00 0.09 -0.55 0.00 0.00 175.29 175.28 3i8e n ASN 810 N 1.77 -4.18 -4.59 6.67 3.02 -1.26 -4.95 115.26 111.75 3i8e n ASN 810 Ca 0.02 0.25 -0.37 0.00 -0.03 0.00 0.00 54.58 54.45 3i8e n ASN 810 Cb 0.43 -3.36 -0.11 0.00 -0.61 0.00 0.00 39.78 36.13 3i8e n ASN 810 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3i8e s GLU 811 N -2.67 3.94 -0.12 3.52 2.12 -1.16 -1.49 118.70 122.84 3i8e s GLU 811 Ca 0.00 -0.33 -0.06 0.00 0.36 0.00 0.00 54.97 54.94 3i8e s GLU 811 Cb 0.00 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 3i8e s GLU 811 CO 0.00 -0.10 0.10 0.71 -0.54 0.00 0.00 175.26 175.43 3i8e s TYR 812 N 1.51 3.46 -0.51 5.30 4.12 0.65 -4.37 117.35 127.50 3i8e s TYR 812 Ca 0.07 0.41 -0.18 0.00 0.02 0.00 0.00 57.07 57.38 3i8e s TYR 812 Cb -0.15 -1.92 0.07 0.00 -1.52 0.00 0.00 41.96 38.43 3i8e s TYR 812 CO 0.08 0.61 0.59 0.00 0.02 0.00 0.00 175.55 176.85 3i8e s ALA 813 N -0.82 3.43 0.01 3.71 0.00 -1.26 -0.76 121.76 126.07 3i8e s ALA 813 Ca 0.13 -1.90 -0.03 0.00 0.00 0.00 0.00 51.96 50.17 3i8e s ALA 813 Cb -0.12 -3.32 -0.28 0.00 0.00 0.00 0.00 23.12 19.40 3i8e s ALA 813 CO 0.03 -2.00 0.88 -0.07 0.00 0.00 0.00 175.76 174.60 3i8e h LEU 814 N 9.54 0.39 -8.05 0.00 3.38 0.79 -3.48 115.31 117.89 3i8e h LEU 814 Ca -0.28 -0.53 -0.13 0.00 0.09 0.00 0.00 57.88 57.03 3i8e h LEU 814 Cb 1.10 -0.13 -0.17 0.00 0.09 0.00 0.00 40.66 41.54 3i8e h LEU 814 CO 0.97 1.44 -0.63 -0.94 0.09 0.00 0.00 178.44 179.37 3i8e s SER 815 N -6.99 0.31 -0.03 -0.43 1.04 -0.88 -4.87 113.70 101.85 3i8e s SER 815 Ca -0.08 -0.70 -0.02 0.00 0.48 0.00 0.00 55.95 55.63 3i8e s SER 815 Cb 0.07 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.39 3i8e s SER 815 CO 0.86 -0.49 0.07 -0.22 0.98 0.00 0.00 173.24 174.43 3i8e s LEU 816 N -2.26 1.38 0.03 2.42 2.96 -1.26 -0.98 118.68 120.98 3i8e s LEU 816 Ca -0.03 0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 3i8e s LEU 816 Cb 0.00 0.17 -0.02 0.00 0.50 0.00 0.00 46.19 46.84 3i8e s LEU 816 CO -0.06 -0.07 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.14 3i8e s VAL 817 N 0.52 0.44 -0.32 1.68 1.01 -0.75 -4.92 120.40 118.06 3i8e s VAL 817 Ca -0.04 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.04 3i8e s VAL 817 Cb -0.06 -0.50 0.10 0.00 0.00 0.00 0.00 36.38 35.92 3i8e s VAL 817 CO -0.02 -0.32 0.07 -0.55 0.00 0.00 0.00 175.10 174.27 3i8e s SER 818 N -1.32 4.32 0.23 3.32 0.15 -1.26 -1.29 113.70 117.85 3i8e s SER 818 Ca -0.09 -1.83 -0.08 0.00 0.70 0.00 0.00 55.95 54.65 3i8e s SER 818 Cb -0.09 -1.20 -0.02 0.00 -1.71 0.00 0.00 66.02 63.00 3i8e s SER 818 CO 0.00 -0.39 0.34 0.00 1.20 0.00 0.00 173.24 174.39 3i8e s LYS 820 N -4.07 3.93 -0.26 0.00 1.02 -1.26 -0.92 119.74 118.18 3i8e s LYS 820 Ca 0.28 -0.36 -0.03 0.00 0.02 0.00 0.00 55.97 55.88 3i8e s LYS 820 Cb 0.02 -3.17 0.02 0.00 -0.52 0.00 0.00 37.83 34.18 3i8e s LYS 820 CO 0.10 0.28 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.27 3i8e s LEU 821 N 0.33 3.33 0.00 3.17 1.43 -1.26 -4.55 118.68 121.13 3i8e s LEU 821 Ca 0.02 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 3i8e s LEU 821 Cb -0.13 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.38 3i8e s LEU 821 CO 0.00 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.06 3i8e n GLY 822 N 4.72 2.36 0.53 -3.19 0.00 0.19 -2.98 105.19 106.83 3i8e n GLY 822 Ca -0.16 -0.46 0.03 0.00 0.00 0.00 0.00 46.02 45.42 3i8e n GLY 822 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i8e n LYS 823 N 10.75 1.65 -2.40 1.61 4.01 -1.26 -4.83 118.16 127.69 3i8e n LYS 823 Ca 0.00 -0.76 -0.43 0.00 -0.51 0.00 0.00 58.31 56.62 3i8e n LYS 823 Cb 0.00 -1.33 -0.02 0.00 -0.51 0.00 0.00 35.03 33.16 3i8e n LYS 823 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3i8e s ASP 824 N -0.74 6.93 0.43 4.39 -1.08 -1.16 -4.92 116.67 120.51 3i8e s ASP 824 Ca 0.14 1.73 0.24 0.00 -0.52 0.00 0.00 52.55 54.13 3i8e s ASP 824 Cb 0.08 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.60 3i8e s ASP 824 CO 0.07 -0.77 1.69 -0.65 0.52 0.00 0.00 175.17 176.03 3i8e h PRO 825 N 8.29 0.00 -6.89 4.34 0.11 -1.91 -3.38 132.00 132.57 3i8e h PRO 825 Ca -0.27 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.34 3i8e h PRO 825 Cb 1.11 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.25 3i8e h PRO 825 CO 0.97 0.13 0.47 -0.80 -0.21 0.00 0.00 178.00 178.56 3i8e s ASN 826 N -6.15 6.92 0.08 -2.05 0.01 -1.26 -5.03 114.94 107.46 3i8e s ASN 826 Ca 0.04 2.25 -0.09 0.00 -0.71 0.00 0.00 52.86 54.35 3i8e s ASN 826 Cb 0.07 -2.61 -0.06 0.00 0.41 0.00 0.00 41.25 39.06 3i8e s ASN 826 CO 0.65 -0.39 0.39 -0.89 -1.51 0.00 0.00 177.10 175.35 3i8e s THR 827 N -1.36 5.11 0.32 1.60 2.01 -1.26 -4.49 115.64 117.58 3i8e s THR 827 Ca 0.51 0.41 0.06 0.00 0.31 0.00 0.00 61.69 62.98 3i8e s THR 827 Cb -0.29 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 68.51 3i8e s THR 827 CO 0.37 0.28 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.27 3i8e s TYR 828 N -1.41 2.09 -0.19 4.92 1.51 -0.09 -4.67 117.35 119.51 3i8e s TYR 828 Ca 0.33 -0.77 -0.03 0.00 -1.01 0.00 0.00 57.07 55.59 3i8e s TYR 828 Cb -0.14 -1.31 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 3i8e s TYR 828 CO 0.18 0.24 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.75 3i8e s PHE 829 N -3.03 2.96 -0.14 2.71 0.08 0.61 -2.74 117.98 118.42 3i8e s PHE 829 Ca 0.33 -0.69 0.00 0.00 0.12 0.00 0.00 56.93 56.70 3i8e s PHE 829 Cb 0.07 -2.03 -0.01 0.00 -0.57 0.00 0.00 43.02 40.48 3i8e s PHE 829 CO 0.15 -0.35 -0.15 0.42 -0.10 0.00 0.00 175.22 175.19 3i8e s ILE 830 N 1.01 2.75 -0.16 0.64 1.01 -0.41 0.14 121.20 126.18 3i8e s ILE 830 Ca 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.91 3i8e s ILE 830 Cb -0.15 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.18 3i8e s ILE 830 CO 0.00 0.52 -0.18 -0.69 0.00 0.00 0.00 174.94 174.59 3i8e s VAL 831 N 0.63 2.38 0.17 2.92 1.01 -0.30 -1.82 120.40 125.40 3i8e s VAL 831 Ca -0.08 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 3i8e s VAL 831 Cb -0.16 -1.99 -0.08 0.00 0.00 0.00 0.00 36.38 34.15 3i8e s VAL 831 CO 0.03 0.53 0.65 -0.83 0.00 0.00 0.00 175.10 175.47 3i8e s GLY 832 N 0.93 2.59 0.24 4.51 0.00 -0.15 -2.17 107.32 113.28 3i8e s GLY 832 Ca -0.04 0.06 -0.01 0.00 0.00 0.00 0.00 44.72 44.73 3i8e s GLY 832 CO -0.03 0.41 0.24 -0.51 0.00 0.00 0.00 173.10 173.21 3i8e s THR 833 N -1.42 0.00 -0.05 0.90 -4.23 -1.18 0.13 115.64 109.78 3i8e s THR 833 Ca 0.39 -1.87 -0.28 0.00 -1.18 0.00 0.00 61.69 58.75 3i8e s THR 833 Cb -0.17 -2.47 0.06 0.00 1.34 0.00 0.00 72.50 71.26 3i8e s THR 833 CO 0.20 0.00 0.61 0.00 -0.54 0.00 0.00 174.62 174.89 3i8e s ALA 834 N -3.91 -1.58 -0.24 3.99 0.00 0.06 -2.74 121.76 117.35 3i8e s ALA 834 Ca 0.36 1.15 -0.08 0.00 0.00 0.00 0.00 51.96 53.39 3i8e s ALA 834 Cb 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 3i8e s ALA 834 CO 0.15 -0.35 0.09 -1.64 0.00 0.00 0.00 175.76 174.02 3i8e s MET 835 N -1.16 3.79 -0.13 0.00 -1.94 -1.26 -0.25 119.30 118.35 3i8e s MET 835 Ca -0.11 -0.41 0.03 0.00 -1.71 0.00 0.00 55.69 53.48 3i8e s MET 835 Cb -0.01 -3.36 0.01 0.00 2.01 0.00 0.00 34.83 33.48 3i8e s MET 835 CO 0.09 -0.07 -0.22 0.08 -0.01 0.00 0.00 175.02 174.89 3i8e s VAL 836 N 1.32 2.03 -0.09 -6.03 1.01 -0.55 -4.66 120.40 113.44 3i8e s VAL 836 Ca 0.05 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 3i8e s VAL 836 Cb -0.15 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.47 3i8e s VAL 836 CO 0.04 0.55 0.21 -0.31 0.00 0.00 0.00 175.10 175.59 3i8e s TYR 837 N 0.75 -0.25 -2.00 5.22 1.51 -1.26 -4.88 117.35 116.44 3i8e s TYR 837 Ca -0.09 0.62 0.01 0.00 -1.01 0.00 0.00 57.07 56.60 3i8e s TYR 837 Cb -0.16 0.05 0.05 0.00 -0.11 0.00 0.00 41.96 41.79 3i8e s TYR 837 CO -0.00 -0.15 0.44 -2.30 -1.11 0.00 0.00 175.55 172.42 3i8e n PRO 838 N 3.45 0.39 -0.08 -1.71 -0.02 -1.26 -2.90 135.00 132.87 3i8e n PRO 838 Ca -0.18 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.19 3i8e n PRO 838 Cb 0.56 -1.03 -0.07 0.00 -0.02 0.00 0.00 33.50 32.94 3i8e n PRO 838 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3i8e h GLU 839 N 0.00 0.00 -6.63 -0.52 9.09 -2.01 -3.47 114.58 111.05 3i8e h GLU 839 Ca 0.00 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.89 3i8e h GLU 839 Cb 0.00 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.12 3i8e h GLU 839 CO 0.00 0.54 0.62 -1.83 0.05 0.00 0.00 179.01 178.39 3i8e s GLU 840 N -2.15 4.41 0.38 1.06 -1.05 -1.14 -4.94 118.70 115.27 3i8e s GLU 840 Ca -0.18 1.97 0.09 0.00 -0.15 0.00 0.00 54.97 56.71 3i8e s GLU 840 Cb 0.02 -3.23 0.75 0.00 -0.44 0.00 0.00 34.13 31.22 3i8e s GLU 840 CO 0.40 -0.24 1.89 0.00 0.95 0.00 0.00 175.26 178.27 3i8e h ALA 841 N 5.74 1.47 -2.48 -0.84 0.00 -1.91 -3.45 119.26 117.80 3i8e h ALA 841 Ca -0.44 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.13 3i8e h ALA 841 Cb 1.21 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.75 3i8e h ALA 841 CO 0.78 0.38 -0.57 -1.83 0.00 0.00 0.00 179.25 178.01 3i8e s GLU 842 N -4.67 0.62 0.48 0.00 -1.05 -1.26 -5.15 118.70 107.67 3i8e s GLU 842 Ca -0.05 -0.96 -0.23 0.00 -0.15 0.00 0.00 54.97 53.58 3i8e s GLU 842 Cb 0.15 0.23 -0.08 0.00 -0.44 0.00 0.00 34.13 34.00 3i8e s GLU 842 CO 0.74 -0.15 1.18 -2.30 0.95 0.00 0.00 175.26 175.68 3i8e n PRO 843 N 0.44 1.57 -0.35 -4.83 -0.02 -1.26 -4.94 135.00 125.61 3i8e n PRO 843 Ca -0.17 0.57 0.05 0.00 -2.02 0.00 0.00 63.50 61.93 3i8e n PRO 843 Cb 0.60 -2.32 0.08 0.00 -0.02 0.00 0.00 33.50 31.84 3i8e n PRO 843 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3i8e n LYS 844 N -0.38 0.70 -3.10 -0.52 2.85 -1.26 -4.44 118.16 112.02 3i8e n LYS 844 Ca 0.09 -1.94 -0.10 0.00 -1.05 0.00 0.00 58.31 55.32 3i8e n LYS 844 Cb 0.42 -1.02 -0.04 0.00 -0.65 0.00 0.00 35.03 33.75 3i8e n LYS 844 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3i8e n GLN 845 N -0.73 0.26 0.00 -1.58 6.02 -1.26 -3.85 117.38 116.24 3i8e n GLN 845 Ca 0.09 -1.63 0.00 0.00 -0.01 0.00 0.00 57.00 55.45 3i8e n GLN 845 Cb 0.69 1.29 0.00 0.00 1.02 0.00 0.00 30.24 33.24 3i8e n GLN 845 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i8e n GLY 846 N -0.18 2.30 3.38 1.08 0.00 -0.83 -2.44 105.19 108.50 3i8e n GLY 846 Ca 0.03 -1.55 -0.20 0.00 0.00 0.00 0.00 46.02 44.30 3i8e n GLY 846 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8e s ARG 847 N -1.87 1.64 -0.23 1.61 0.52 -1.24 -2.34 118.95 117.03 3i8e s ARG 847 Ca 0.00 -1.94 -0.04 0.00 -0.52 0.00 0.00 55.73 53.24 3i8e s ARG 847 Cb 0.00 -0.34 0.09 0.00 0.52 0.00 0.00 34.95 35.22 3i8e s ARG 847 CO 0.00 -0.39 0.17 0.42 0.02 0.00 0.00 175.30 175.52 3i8e s ILE 848 N -3.51 -0.19 -0.15 1.52 1.01 -0.01 -3.11 121.20 116.76 3i8e s ILE 848 Ca 0.34 -0.36 -0.06 0.00 0.00 0.00 0.00 60.65 60.56 3i8e s ILE 848 Cb 0.06 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 3i8e s ILE 848 CO 0.16 -0.41 0.07 -0.69 0.00 0.00 0.00 174.94 174.07 3i8e s VAL 849 N 2.21 4.92 -0.43 2.92 1.01 -0.92 -1.91 120.40 128.20 3i8e s VAL 849 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 3i8e s VAL 849 Cb -0.16 -3.17 0.09 0.00 0.00 0.00 0.00 36.38 33.14 3i8e s VAL 849 CO -0.21 0.53 0.27 -0.69 0.00 0.00 0.00 175.10 174.99 3i8e s VAL 850 N -0.22 4.17 0.13 2.92 1.01 0.78 -1.15 120.40 128.05 3i8e s VAL 850 Ca 0.08 -1.49 -0.12 0.00 0.00 0.00 0.00 61.98 60.46 3i8e s VAL 850 Cb -0.12 -3.60 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 3i8e s VAL 850 CO 0.01 -0.55 0.50 -0.36 0.00 0.00 0.00 175.10 174.70 3i8e s PHE 851 N 1.40 3.57 -0.08 5.22 0.40 0.37 -0.63 117.98 128.24 3i8e s PHE 851 Ca 0.04 0.94 0.02 0.00 -0.60 0.00 0.00 56.93 57.33 3i8e s PHE 851 Cb -0.23 -2.28 0.01 0.00 0.51 0.00 0.00 43.02 41.03 3i8e s PHE 851 CO 0.01 0.44 -0.13 -1.14 0.70 0.00 0.00 175.22 175.10 3i8e s GLN 852 N -2.06 1.83 -0.21 0.44 0.74 0.14 -0.29 119.66 120.26 3i8e s GLN 852 Ca 0.37 -0.44 -0.08 0.00 0.05 0.00 0.00 55.36 55.26 3i8e s GLN 852 Cb -0.14 -1.54 -0.04 0.00 1.10 0.00 0.00 33.01 32.39 3i8e s GLN 852 CO 0.19 -0.01 0.08 -0.47 -0.55 0.00 0.00 175.29 174.54 3i8e s TYR 853 N 0.79 3.22 0.00 1.67 5.04 -1.26 0.38 117.35 127.19 3i8e s TYR 853 Ca -0.12 -0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.50 3i8e s TYR 853 Cb -0.15 -2.15 0.00 0.00 0.35 0.00 0.00 41.96 40.00 3i8e s TYR 853 CO 0.02 0.02 0.00 0.43 -1.34 0.00 0.00 175.55 174.68 3i8e n SER 854 N 4.01 0.00 0.29 4.32 7.64 -0.14 -4.91 113.62 124.83 3i8e n SER 854 Ca -0.16 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.55 3i8e n SER 854 Cb 0.52 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.64 3i8e n SER 854 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3i8e h ASP 855 N 0.00 -0.75 0.00 6.43 3.32 -2.02 -3.42 116.42 119.98 3i8e h ASP 855 Ca 0.00 0.04 -0.19 0.00 0.02 0.00 0.00 57.03 56.90 3i8e h ASP 855 Cb 0.00 0.22 -0.13 0.00 0.22 0.00 0.00 39.33 39.63 3i8e h ASP 855 CO 0.00 -0.48 -0.24 0.61 -1.72 0.00 0.00 179.24 177.41 3i8e n GLY 856 N -1.44 0.33 2.93 2.75 0.00 -1.26 -5.15 105.19 103.35 3i8e n GLY 856 Ca -0.12 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 3i8e n GLY 856 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8e s LYS 857 N 0.18 0.09 -0.67 1.61 1.02 -1.26 -5.08 119.74 115.62 3i8e s LYS 857 Ca 0.19 0.28 -0.10 0.00 0.02 0.00 0.00 55.97 56.37 3i8e s LYS 857 Cb 0.30 -0.11 0.18 0.00 -0.52 0.00 0.00 37.83 37.67 3i8e s LYS 857 CO -0.08 -0.12 0.56 -1.17 -0.92 0.00 0.00 175.35 173.62 3i8e s LEU 858 N 0.81 6.02 -0.19 3.17 1.98 -1.26 -0.97 118.68 128.25 3i8e s LEU 858 Ca -0.06 -2.54 -0.19 0.00 -2.89 0.00 0.00 54.13 48.45 3i8e s LEU 858 Cb -0.08 -2.06 -0.03 0.00 0.66 0.00 0.00 46.19 44.68 3i8e s LEU 858 CO -0.04 -0.55 0.52 -1.58 -1.89 0.00 0.00 176.35 172.82 3i8e s GLN 859 N 0.41 4.21 -0.62 1.98 0.74 0.16 -4.88 119.66 121.66 3i8e s GLN 859 Ca 0.14 0.44 -0.27 0.00 0.05 0.00 0.00 55.36 55.72 3i8e s GLN 859 Cb -0.18 -3.55 0.02 0.00 1.10 0.00 0.00 33.01 30.40 3i8e s GLN 859 CO -0.05 -0.12 1.41 0.99 -0.55 0.00 0.00 175.29 176.97 3i8e s THR 860 N 1.53 3.74 -0.16 -0.34 2.01 -1.26 0.24 115.64 121.40 3i8e s THR 860 Ca 0.25 0.57 -0.19 0.00 0.31 0.00 0.00 61.69 62.62 3i8e s THR 860 Cb -0.15 -4.54 -0.16 0.00 0.01 0.00 0.00 72.50 67.65 3i8e s THR 860 CO 0.10 -1.35 0.31 0.58 -0.69 0.00 0.00 174.62 173.57 3i8e h VAL 861 N 6.32 0.94 -2.62 3.82 2.07 -1.22 -3.49 116.25 122.07 3i8e h VAL 861 Ca -0.27 -1.88 -0.11 0.00 0.82 0.00 0.00 66.70 65.27 3i8e h VAL 861 Cb 1.08 1.95 -0.24 0.00 -1.52 0.00 0.00 31.29 32.56 3i8e h VAL 861 CO 1.21 0.32 -0.21 0.00 0.02 0.00 0.00 177.57 178.91 3i8e s ALA 862 N -2.40 -1.13 0.35 1.67 0.00 -1.13 -4.99 121.76 114.12 3i8e s ALA 862 Ca -0.19 1.39 0.09 0.00 0.00 0.00 0.00 51.96 53.25 3i8e s ALA 862 Cb 0.01 -0.82 -0.05 0.00 0.00 0.00 0.00 23.12 22.26 3i8e s ALA 862 CO 0.48 -0.24 0.04 -1.83 0.00 0.00 0.00 175.76 174.22 3i8e s GLU 863 N 0.63 2.13 -0.23 0.00 -1.05 -1.26 -0.16 118.70 118.77 3i8e s GLU 863 Ca -0.03 -1.73 -0.17 0.00 -0.15 0.00 0.00 54.97 52.89 3i8e s GLU 863 Cb -0.05 -1.97 0.06 0.00 -0.44 0.00 0.00 34.13 31.74 3i8e s GLU 863 CO -0.04 0.11 0.58 0.21 0.95 0.00 0.00 175.26 177.07 3i8e s LYS 864 N -3.75 0.64 0.36 -4.83 2.47 -0.81 -4.84 119.74 108.99 3i8e s LYS 864 Ca 0.36 0.91 -0.10 0.00 -1.56 0.00 0.00 55.97 55.57 3i8e s LYS 864 Cb -0.00 0.23 -0.07 0.00 -1.46 0.00 0.00 37.83 36.53 3i8e s LYS 864 CO 0.20 -0.11 0.71 -2.00 0.16 0.00 0.00 175.35 174.31 3i8e s GLU 865 N 0.81 3.78 -0.07 4.03 2.12 -1.26 -0.83 118.70 127.28 3i8e s GLU 865 Ca -0.04 0.40 -0.10 0.00 0.36 0.00 0.00 54.97 55.59 3i8e s GLU 865 Cb -0.05 -2.46 0.02 0.00 0.26 0.00 0.00 34.13 31.90 3i8e s GLU 865 CO -0.06 0.06 0.25 0.14 -0.54 0.00 0.00 175.26 175.11 3i8e s VAL 866 N -2.23 0.02 -0.98 3.70 -7.23 -0.99 -4.91 120.40 107.78 3i8e s VAL 866 Ca 0.50 -0.21 -0.04 0.00 -1.81 0.00 0.00 61.98 60.43 3i8e s VAL 866 Cb -0.10 -0.43 0.17 0.00 0.56 0.00 0.00 36.38 36.58 3i8e s VAL 866 CO 0.28 -0.11 2.33 0.29 -0.31 0.00 0.00 175.10 177.58 3i8e n LYS 867 N 2.37 4.01 0.00 4.82 5.02 -1.26 -1.97 118.16 131.15 3i8e n LYS 867 Ca -0.16 -3.43 0.00 0.00 -2.02 0.00 0.00 58.31 52.70 3i8e n LYS 867 Cb 0.57 -2.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 3i8e n LYS 867 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8e n GLY 868 N 0.88 2.96 3.77 0.72 0.00 -1.02 -4.49 105.19 108.01 3i8e n GLY 868 Ca 0.55 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 3i8e n GLY 868 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8e s ALA 869 N -2.00 3.44 -0.82 4.61 0.00 -1.17 -4.27 121.76 121.55 3i8e s ALA 869 Ca 0.00 1.34 -0.17 0.00 0.00 0.00 0.00 51.96 53.13 3i8e s ALA 869 Cb 0.00 -3.52 0.16 0.00 0.00 0.00 0.00 23.12 19.76 3i8e s ALA 869 CO 0.00 -0.82 0.89 0.08 0.00 0.00 0.00 175.76 175.91 3i8e s VAL 870 N -1.17 5.12 -0.03 0.00 1.01 -1.11 -1.94 120.40 122.28 3i8e s VAL 870 Ca 0.52 -1.84 -0.22 0.00 0.00 0.00 0.00 61.98 60.45 3i8e s VAL 870 Cb -0.41 -4.59 -0.15 0.00 0.00 0.00 0.00 36.38 31.22 3i8e s VAL 870 CO 0.55 -1.23 0.97 1.88 0.00 0.00 0.00 175.10 177.26 3i8e h TYR 871 N 8.47 -0.28 -4.63 5.22 -1.99 -1.47 -3.38 116.97 118.90 3i8e h TYR 871 Ca 0.04 -0.01 -0.45 0.00 2.00 0.00 0.00 58.73 60.32 3i8e h TYR 871 Cb 1.04 0.09 -0.12 0.00 2.00 0.00 0.00 36.73 39.75 3i8e h TYR 871 CO 1.04 0.10 -0.43 -1.13 -0.00 0.00 0.00 178.16 177.75 3i8e n SER 872 N -5.00 -0.33 -3.64 3.88 3.41 -1.26 -4.47 113.62 106.22 3i8e n SER 872 Ca -0.08 -3.00 -0.07 0.00 -0.26 0.00 0.00 58.87 55.45 3i8e n SER 872 Cb 0.26 1.43 -0.07 0.00 -0.26 0.00 0.00 64.21 65.57 3i8e n SER 872 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i8e s MET 873 N -3.27 0.35 0.07 4.33 0.23 -1.26 -1.77 119.30 117.99 3i8e s MET 873 Ca 0.33 0.39 0.03 0.00 -1.03 0.00 0.00 55.69 55.41 3i8e s MET 873 Cb 0.02 0.17 -0.03 0.00 -1.53 0.00 0.00 34.83 33.46 3i8e s MET 873 CO 0.24 -0.05 -0.09 0.54 -2.03 0.00 0.00 175.02 173.63 3i8e s VAL 874 N 0.07 0.76 -0.30 5.16 0.11 -0.76 -4.74 120.40 120.71 3i8e s VAL 874 Ca 0.04 -1.42 -0.29 0.00 -2.93 0.00 0.00 61.98 57.38 3i8e s VAL 874 Cb -0.05 -1.08 -0.01 0.00 -1.53 0.00 0.00 36.38 33.72 3i8e s VAL 874 CO -0.09 -0.50 1.45 -0.70 -3.33 0.00 0.00 175.10 171.94 3i8e s GLU 875 N -2.35 3.77 0.00 1.54 -6.30 -1.26 -1.21 118.70 112.89 3i8e s GLU 875 Ca -0.01 1.33 0.00 0.00 -2.50 0.00 0.00 54.97 53.80 3i8e s GLU 875 Cb -0.05 -3.98 0.00 0.00 0.00 0.00 0.00 34.13 30.10 3i8e s GLU 875 CO -0.00 -1.31 0.00 0.34 0.02 0.00 0.00 175.26 174.31 3i8e n PHE 876 N 8.28 0.00 -3.16 5.30 7.35 0.52 -4.89 117.46 130.86 3i8e n PHE 876 Ca 0.17 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.64 3i8e n PHE 876 Cb 0.46 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.24 3i8e n PHE 876 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3i8e n ASN 877 N -0.49 0.10 0.00 -2.13 3.02 -1.26 -4.81 115.26 109.69 3i8e n ASN 877 Ca 0.00 -2.79 0.00 0.00 -0.03 0.00 0.00 54.58 51.76 3i8e n ASN 877 Cb 0.00 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 3i8e n ASN 877 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i8e n GLY 878 N 1.20 0.45 3.30 7.41 0.00 -1.26 -4.78 105.19 111.52 3i8e n GLY 878 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 3i8e n GLY 878 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8e s LYS 879 N -0.55 1.31 -0.22 1.61 1.02 -1.26 0.56 119.74 122.22 3i8e s LYS 879 Ca 0.00 -1.13 -0.10 0.00 0.02 0.00 0.00 55.97 54.76 3i8e s LYS 879 Cb 0.00 -1.57 -0.05 0.00 -0.52 0.00 0.00 37.83 35.69 3i8e s LYS 879 CO 0.00 0.38 0.13 -1.17 -0.92 0.00 0.00 175.35 173.77 3i8e s LEU 880 N -1.68 4.08 -0.45 3.17 2.96 -0.53 -0.35 118.68 125.89 3i8e s LEU 880 Ca 0.09 0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 54.12 3i8e s LEU 880 Cb -0.10 -2.07 0.12 0.00 0.50 0.00 0.00 46.19 44.64 3i8e s LEU 880 CO 0.04 0.12 0.23 -0.22 -1.32 0.00 0.00 176.35 175.20 3i8e s LEU 881 N 0.72 5.12 0.13 -0.68 2.96 -0.35 -0.02 118.68 126.56 3i8e s LEU 881 Ca 0.07 -2.27 0.04 0.00 -0.22 0.00 0.00 54.13 51.75 3i8e s LEU 881 Cb -0.12 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 3i8e s LEU 881 CO 0.01 -0.47 0.09 0.00 -1.32 0.00 0.00 176.35 174.67 3i8e s ALA 882 N 0.78 3.51 -0.27 5.97 0.00 -0.82 -1.82 121.76 129.12 3i8e s ALA 882 Ca 0.11 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 50.87 3i8e s ALA 882 Cb -0.22 -1.35 -0.00 0.00 0.00 0.00 0.00 23.12 21.55 3i8e s ALA 882 CO -0.04 0.61 0.05 -1.54 0.00 0.00 0.00 175.76 174.83 3i8e s SER 883 N -2.76 4.92 -0.76 0.00 1.04 -0.73 -0.51 113.70 114.91 3i8e s SER 883 Ca 0.30 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 56.20 3i8e s SER 883 Cb -0.11 -1.85 0.32 0.00 0.10 0.00 0.00 66.02 64.48 3i8e s SER 883 CO 0.22 -0.12 1.22 -0.38 0.98 0.00 0.00 173.24 175.16 3i8e n ILE 884 N 4.85 4.06 0.00 -1.02 -0.00 0.21 -1.28 119.36 126.19 3i8e n ILE 884 Ca -0.16 -5.69 0.00 0.00 -0.00 0.00 0.00 62.75 56.91 3i8e n ILE 884 Cb 0.49 -1.60 0.00 0.00 -0.00 0.00 0.00 39.64 38.54 3i8e n ILE 884 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 3i8e n ASN 885 N 0.08 0.00 0.00 4.38 4.05 -0.82 -3.42 115.26 119.54 3i8e n ASN 885 Ca 0.35 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.38 3i8e n ASN 885 Cb 0.35 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.36 3i8e n ASN 885 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 3i8e n SER 886 N 0.15 0.00 -4.76 1.20 2.88 -1.26 -4.13 113.62 107.70 3i8e n SER 886 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 3i8e n SER 886 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 3i8e n SER 886 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3i8e s THR 887 N 0.00 5.14 -0.34 2.46 2.01 -1.22 -4.27 115.64 119.42 3i8e s THR 887 Ca 0.00 0.89 -0.07 0.00 0.31 0.00 0.00 61.69 62.82 3i8e s THR 887 Cb 0.00 -3.77 0.04 0.00 0.01 0.00 0.00 72.50 68.77 3i8e s THR 887 CO 0.00 0.41 0.12 -0.69 -0.69 0.00 0.00 174.62 173.76 3i8e s VAL 888 N 0.10 3.91 -0.06 3.82 1.01 -1.15 0.68 120.40 128.70 3i8e s VAL 888 Ca 0.24 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 61.21 3i8e s VAL 888 Cb -0.15 -3.19 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 3i8e s VAL 888 CO 0.11 -0.17 -0.21 -0.60 0.00 0.00 0.00 175.10 174.23 3i8e s ARG 889 N 1.43 2.25 -0.52 2.72 3.52 0.34 -3.17 118.95 125.52 3i8e s ARG 889 Ca -0.01 -0.75 -0.14 0.00 -0.13 0.00 0.00 55.73 54.70 3i8e s ARG 889 Cb -0.19 -1.89 0.13 0.00 -1.56 0.00 0.00 34.95 31.44 3i8e s ARG 889 CO 0.03 0.28 0.45 -1.17 -0.81 0.00 0.00 175.30 174.08 3i8e s LEU 890 N 0.03 6.03 0.56 -0.88 2.96 -1.18 -1.95 118.68 124.24 3i8e s LEU 890 Ca -0.06 -1.84 -0.16 0.00 -0.22 0.00 0.00 54.13 51.86 3i8e s LEU 890 Cb -0.13 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.36 3i8e s LEU 890 CO 0.04 -0.80 1.02 -0.31 -1.32 0.00 0.00 176.35 174.98 3i8e s TYR 891 N 1.51 3.24 0.29 5.38 1.51 0.97 -2.56 117.35 127.69 3i8e s TYR 891 Ca 0.04 1.48 0.04 0.00 -1.01 0.00 0.00 57.07 57.62 3i8e s TYR 891 Cb -0.29 -2.89 -0.06 0.00 -0.11 0.00 0.00 41.96 38.61 3i8e s TYR 891 CO 0.02 -0.76 0.02 -2.00 -1.11 0.00 0.00 175.55 171.72 3i8e s GLU 892 N -4.17 1.54 -0.28 -0.62 2.12 0.11 -1.45 118.70 115.96 3i8e s GLU 892 Ca 0.61 -1.82 0.01 0.00 0.36 0.00 0.00 54.97 54.13 3i8e s GLU 892 Cb -0.13 -0.83 0.06 0.00 0.26 0.00 0.00 34.13 33.49 3i8e s GLU 892 CO 0.36 -0.13 -0.06 -0.46 -0.54 0.00 0.00 175.26 174.43 3i8e s TRP 893 N -3.30 3.29 1.15 5.30 -0.11 -1.26 -1.37 118.94 122.64 3i8e s TRP 893 Ca 0.33 -2.21 -0.14 0.00 1.22 0.00 0.00 56.10 55.30 3i8e s TRP 893 Cb 0.07 -2.04 0.27 0.00 -1.50 0.00 0.00 33.47 30.27 3i8e s TRP 893 CO 0.13 -0.86 1.04 0.95 -4.62 0.00 0.00 176.95 173.59 3i8e s THR 894 N 1.14 1.90 -0.20 5.86 -4.23 -1.12 -4.72 115.64 114.26 3i8e s THR 894 Ca -0.07 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 60.73 3i8e s THR 894 Cb -0.20 -2.24 0.35 0.00 1.34 0.00 0.00 72.50 71.76 3i8e s THR 894 CO -0.04 0.00 1.81 0.71 -0.54 0.00 0.00 174.62 176.56 3i8e h THR 895 N -2.51 0.00 -0.03 3.99 1.35 -1.99 -3.23 112.91 110.50 3i8e h THR 895 Ca -0.57 -0.66 0.01 0.00 -0.55 0.00 0.00 66.41 64.64 3i8e h THR 895 Cb 1.33 1.64 -0.00 0.00 -1.73 0.00 0.00 68.15 69.39 3i8e h THR 895 CO 0.50 0.00 0.21 -0.33 -0.25 0.00 0.00 175.52 175.65 3i8e h GLU 896 N 0.00 0.00 -4.52 4.72 5.08 -2.03 -3.46 114.58 114.37 3i8e h GLU 896 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3i8e h GLU 896 Cb 0.69 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.02 3i8e h GLU 896 CO 0.00 0.00 -0.34 1.63 -1.00 0.00 0.00 179.01 179.30 3i8e n LYS 897 N -3.06 -1.20 -3.63 2.33 5.02 -1.22 -5.09 118.16 111.32 3i8e n LYS 897 Ca -0.02 0.76 -0.13 0.00 -2.02 0.00 0.00 58.31 56.90 3i8e n LYS 897 Cb 0.28 -4.21 -0.07 0.00 -0.02 0.00 0.00 35.03 31.00 3i8e n LYS 897 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i8e s ASP 898 N -3.02 -0.67 -0.47 4.39 2.15 -1.26 -4.79 116.67 113.00 3i8e s ASP 898 Ca 0.18 1.26 -0.28 0.00 0.43 0.00 0.00 52.55 54.14 3i8e s ASP 898 Cb -0.02 1.27 0.03 0.00 -0.30 0.00 0.00 42.92 43.89 3i8e s ASP 898 CO 0.47 -0.25 1.10 0.68 -0.17 0.00 0.00 175.17 177.00 3i8e s VAL 899 N 0.24 4.25 0.05 1.11 -7.23 -1.26 -2.79 120.40 114.78 3i8e s VAL 899 Ca 0.00 1.17 0.04 0.00 -1.81 0.00 0.00 61.98 61.37 3i8e s VAL 899 Cb -0.05 -4.57 -0.04 0.00 0.56 0.00 0.00 36.38 32.28 3i8e s VAL 899 CO -0.00 -0.97 -0.00 -0.60 -0.31 0.00 0.00 175.10 173.21 3i8e s ARG 900 N 4.33 2.63 0.67 4.82 3.52 -0.47 -4.94 118.95 129.51 3i8e s ARG 900 Ca 0.46 -0.75 -0.10 0.00 -0.13 0.00 0.00 55.73 55.21 3i8e s ARG 900 Cb -0.08 -2.58 0.01 0.00 -1.56 0.00 0.00 34.95 30.73 3i8e s ARG 900 CO 0.30 0.57 1.05 0.99 -0.81 0.00 0.00 175.30 177.41 3i8e s THR 901 N -1.21 3.68 -0.29 4.11 2.01 -1.26 0.05 115.64 122.73 3i8e s THR 901 Ca 0.23 0.43 -0.16 0.00 0.31 0.00 0.00 61.69 62.50 3i8e s THR 901 Cb -0.12 -3.53 0.14 0.00 0.01 0.00 0.00 72.50 69.01 3i8e s THR 901 CO 0.15 -0.66 0.96 -0.70 -0.69 0.00 0.00 174.62 173.67 3i8e s GLU 902 N -5.26 0.40 0.36 4.92 2.12 -1.06 -4.71 118.70 115.47 3i8e s GLU 902 Ca 0.57 0.70 0.00 0.00 0.36 0.00 0.00 54.97 56.59 3i8e s GLU 902 Cb -0.11 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.36 3i8e s GLU 902 CO 0.51 -0.08 0.00 0.00 -0.54 0.00 0.00 175.26 175.14 3i8e n ASN 904 N -4.04 0.00 0.00 0.00 0.23 -1.26 -3.95 115.26 106.24 3i8e n ASN 904 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3i8e n ASN 904 Cb 0.08 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 3i8e n ASN 904 CO 0.00 0.00 0.00 1.57 -0.93 0.00 0.00 177.26 177.90 3i8e n HIS 905 N 0.00 -0.04 0.00 -2.53 -0.00 -1.19 -2.93 115.22 108.52 3i8e n HIS 905 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3i8e n HIS 905 Cb 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.01 3i8e n HIS 905 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 3i8e n TYR 906 N 0.00 0.00 -1.87 1.57 4.19 -1.26 -4.72 117.16 115.07 3i8e n TYR 906 Ca 0.00 0.00 -0.42 0.00 3.31 0.00 0.00 57.90 60.79 3i8e n TYR 906 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 3i8e n TYR 906 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 3i8e n ASN 907 N 0.00 4.10 -4.24 2.98 2.85 -1.26 -4.83 115.26 114.86 3i8e n ASN 907 Ca 0.00 -2.88 -0.13 0.00 -0.11 0.00 0.00 54.58 51.45 3i8e n ASN 907 Cb 0.00 -1.64 -0.10 0.00 1.24 0.00 0.00 39.78 39.28 3i8e n ASN 907 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 3i8e s ASN 908 N 2.96 1.31 -0.24 1.20 0.01 -1.26 -5.07 114.94 113.86 3i8e s ASN 908 Ca 0.46 -1.14 -0.08 0.00 -0.71 0.00 0.00 52.86 51.40 3i8e s ASN 908 Cb 0.13 0.09 -0.17 0.00 0.41 0.00 0.00 41.25 41.71 3i8e s ASN 908 CO -0.07 -0.52 -0.15 -0.38 -1.51 0.00 0.00 177.10 174.47 3i8e n ILE 909 N -0.22 1.55 -3.12 0.60 5.41 -1.26 -4.95 119.36 117.36 3i8e n ILE 909 Ca -0.08 -0.44 0.04 0.00 1.00 0.00 0.00 62.75 63.27 3i8e n ILE 909 Cb 0.63 -1.71 -0.00 0.00 -0.71 0.00 0.00 39.64 37.84 3i8e n ILE 909 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 176.55 176.23 3i8e s MET 910 N -2.50 0.47 -0.74 0.38 0.00 -1.26 -4.84 119.30 110.81 3i8e s MET 910 Ca -0.34 0.23 -0.26 0.00 0.00 0.00 0.00 55.69 55.32 3i8e s MET 910 Cb 0.11 0.15 -0.02 0.00 0.00 0.00 0.00 34.83 35.07 3i8e s MET 910 CO 0.58 -0.80 1.79 0.00 0.00 0.00 0.00 175.02 176.59 3i8e s ALA 911 N 2.58 2.12 -0.06 4.11 0.00 -1.26 -2.84 121.76 126.41 3i8e s ALA 911 Ca 0.16 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 51.04 3i8e s ALA 911 Cb -0.05 -4.39 -0.25 0.00 0.00 0.00 0.00 23.12 18.42 3i8e s ALA 911 CO -0.20 -4.08 0.58 -0.07 0.00 0.00 0.00 175.76 171.99 3i8e h LEU 912 N 16.22 0.25 -8.27 0.00 3.38 -1.81 -3.43 115.31 121.66 3i8e h LEU 912 Ca -0.13 -0.50 -0.31 0.00 0.09 0.00 0.00 57.88 57.03 3i8e h LEU 912 Cb 1.09 -0.08 -0.21 0.00 0.09 0.00 0.00 40.66 41.56 3i8e h LEU 912 CO 1.24 1.45 -0.74 -0.31 0.09 0.00 0.00 178.44 180.16 3i8e s TYR 913 N -2.59 0.84 0.01 1.13 1.51 -1.26 -4.04 117.35 112.96 3i8e s TYR 913 Ca -0.13 -0.53 -0.00 0.00 -1.01 0.00 0.00 57.07 55.40 3i8e s TYR 913 Cb 0.07 -0.49 -0.01 0.00 -0.11 0.00 0.00 41.96 41.42 3i8e s TYR 913 CO 0.81 -0.05 -0.01 -0.51 -1.11 0.00 0.00 175.55 174.68 3i8e s LEU 914 N -1.78 2.09 0.01 -1.29 1.43 -1.26 -4.33 118.68 113.54 3i8e s LEU 914 Ca -0.05 -0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 52.73 3i8e s LEU 914 Cb -0.08 0.10 -0.00 0.00 0.03 0.00 0.00 46.19 46.23 3i8e s LEU 914 CO 0.00 -0.18 0.08 -0.54 0.23 0.00 0.00 176.35 175.95 3i8e s LYS 915 N -0.84 0.40 -0.22 1.70 -0.14 -1.26 -4.96 119.74 114.42 3i8e s LYS 915 Ca -0.09 -0.43 -0.02 0.00 -1.36 0.00 0.00 55.97 54.07 3i8e s LYS 915 Cb -0.06 0.16 0.01 0.00 -1.68 0.00 0.00 37.83 36.27 3i8e s LYS 915 CO -0.00 -0.09 -0.08 0.99 -0.76 0.00 0.00 175.35 175.40 3i8e s THR 916 N -1.31 2.90 -0.64 2.17 2.01 -1.26 -3.92 115.64 115.59 3i8e s THR 916 Ca -0.14 -0.79 -0.26 0.00 0.31 0.00 0.00 61.69 60.81 3i8e s THR 916 Cb -0.08 -2.36 0.04 0.00 0.01 0.00 0.00 72.50 70.11 3i8e s THR 916 CO 0.01 0.36 1.15 -0.75 -0.69 0.00 0.00 174.62 174.70 3i8e s LYS 917 N 1.38 3.31 0.00 4.92 2.36 -1.09 -4.90 119.74 125.72 3i8e s LYS 917 Ca 0.04 -0.15 0.00 0.00 -2.55 0.00 0.00 55.97 53.30 3i8e s LYS 917 Cb -0.15 -4.11 0.00 0.00 -1.05 0.00 0.00 37.83 32.52 3i8e s LYS 917 CO -0.06 -1.84 0.00 0.41 1.55 0.00 0.00 175.35 175.41 3i8e n GLY 918 N 5.22 0.00 0.00 5.54 0.00 -1.26 -3.59 105.19 111.10 3i8e n GLY 918 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3i8e n GLY 918 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i8e n ASP 919 N 0.00 0.00 -3.28 1.61 2.03 -1.26 -4.89 116.55 110.76 3i8e n ASP 919 Ca 0.00 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.06 3i8e n ASP 919 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 3i8e n ASP 919 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3i8e n PHE 920 N 0.00 0.10 -3.75 -0.67 3.72 -1.24 -4.90 117.46 110.73 3i8e n PHE 920 Ca 0.00 -3.60 -0.13 0.00 -0.05 0.00 0.00 57.45 53.67 3i8e n PHE 920 Cb 0.00 -0.26 -0.10 0.00 -0.94 0.00 0.00 39.48 38.18 3i8e n PHE 920 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i8e s ILE 921 N -1.09 0.01 0.28 4.37 1.01 -1.25 -3.24 121.20 121.30 3i8e s ILE 921 Ca 0.35 -0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.95 3i8e s ILE 921 Cb 0.13 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 3i8e s ILE 921 CO -0.12 -0.05 0.22 -0.76 0.00 0.00 0.00 174.94 174.23 3i8e s LEU 922 N -0.11 1.52 0.12 2.97 1.02 -0.89 -2.69 118.68 120.62 3i8e s LEU 922 Ca -0.03 -1.61 -0.24 0.00 0.02 0.00 0.00 54.13 52.27 3i8e s LEU 922 Cb -0.03 0.48 0.07 0.00 0.02 0.00 0.00 46.19 46.73 3i8e s LEU 922 CO 0.01 -0.97 0.64 0.54 0.02 0.00 0.00 176.35 176.59 3i8e s VAL 923 N -3.72 0.00 0.00 -1.59 0.11 -1.25 -2.16 120.40 111.78 3i8e s VAL 923 Ca 0.40 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 3i8e s VAL 923 Cb 0.04 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 3i8e s VAL 923 CO 0.21 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.59 3i8e n GLY 924 N -0.26 0.28 0.00 6.54 0.00 -1.21 -4.37 105.19 106.17 3i8e n GLY 924 Ca -0.16 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.43 3i8e n GLY 924 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i8e n ASP 925 N -0.37 0.00 -0.01 1.61 2.03 -1.12 -4.59 116.55 114.10 3i8e n ASP 925 Ca 0.00 -0.02 -0.02 0.00 0.52 0.00 0.00 54.79 55.27 3i8e n ASP 925 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 3i8e n ASP 925 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 3i8e n LEU 926 N 0.00 0.76 -0.20 -2.67 7.94 -1.13 -4.19 117.00 117.51 3i8e n LEU 926 Ca 0.00 0.12 0.02 0.00 -1.11 0.00 0.00 56.01 55.04 3i8e n LEU 926 Cb 0.00 -0.40 0.03 0.00 0.53 0.00 0.00 43.42 43.58 3i8e n LEU 926 CO 0.00 -0.50 0.41 1.15 -1.11 0.00 0.00 177.39 177.34 3i8e n MET 927 N -3.24 0.93 -3.33 1.96 0.00 -1.26 -0.88 117.12 111.31 3i8e n MET 927 Ca -0.04 -1.13 -0.26 0.00 0.00 0.00 0.00 57.70 56.27 3i8e n MET 927 Cb 0.13 -1.09 -0.08 0.00 0.00 0.00 0.00 33.22 32.19 3i8e n MET 927 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3i8e n ARG 928 N 0.10 1.84 0.00 3.17 1.74 -1.19 -4.12 116.66 118.20 3i8e n ARG 928 Ca 0.03 -4.12 0.00 0.00 -0.77 0.00 0.00 57.85 52.99 3i8e n ARG 928 Cb 0.19 -1.86 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 3i8e n ARG 928 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3i8e n SER 929 N 1.05 0.00 -4.40 0.55 3.41 -0.99 -4.75 113.62 108.49 3i8e n SER 929 Ca 0.27 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.67 3i8e n SER 929 Cb 0.46 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.30 3i8e n SER 929 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3i8e s VAL 930 N 0.00 1.76 0.40 -3.33 -7.23 -1.26 -2.79 120.40 107.95 3i8e s VAL 930 Ca 0.00 -2.18 0.04 0.00 -1.81 0.00 0.00 61.98 58.03 3i8e s VAL 930 Cb 0.00 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.60 3i8e s VAL 930 CO 0.00 -0.42 0.05 -0.76 -0.31 0.00 0.00 175.10 173.66 3i8e s LEU 931 N -3.41 2.37 -0.10 1.32 1.02 -1.26 -1.20 118.68 117.42 3i8e s LEU 931 Ca 0.27 -1.49 -0.04 0.00 0.02 0.00 0.00 54.13 52.89 3i8e s LEU 931 Cb 0.01 -0.55 0.05 0.00 0.02 0.00 0.00 46.19 45.72 3i8e s LEU 931 CO 0.10 -0.67 0.22 -0.22 0.02 0.00 0.00 176.35 175.80 3i8e s LEU 932 N -3.65 0.28 0.20 1.79 2.96 0.13 -3.33 118.68 117.07 3i8e s LEU 932 Ca 0.27 0.47 0.08 0.00 -0.22 0.00 0.00 54.13 54.74 3i8e s LEU 932 Cb 0.07 0.60 -0.05 0.00 0.50 0.00 0.00 46.19 47.31 3i8e s LEU 932 CO 0.13 -0.19 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.06 3i8e s LEU 933 N 1.58 2.54 -0.06 -0.68 1.02 -0.92 -0.66 118.68 121.50 3i8e s LEU 933 Ca -0.06 -0.99 0.04 0.00 0.02 0.00 0.00 54.13 53.14 3i8e s LEU 933 Cb -0.11 -0.75 0.00 0.00 0.02 0.00 0.00 46.19 45.36 3i8e s LEU 933 CO -0.08 -0.12 -0.17 0.00 0.02 0.00 0.00 176.35 176.00 3i8e s ALA 934 N -2.75 1.60 -0.01 4.21 0.00 -0.94 -2.10 121.76 121.77 3i8e s ALA 934 Ca 0.22 -0.67 -0.24 0.00 0.00 0.00 0.00 51.96 51.26 3i8e s ALA 934 Cb -0.02 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 3i8e s ALA 934 CO 0.08 0.23 0.74 -0.47 0.00 0.00 0.00 175.76 176.34 3i8e s TYR 935 N 0.30 3.66 -0.28 0.00 5.04 -1.20 -2.70 117.35 122.18 3i8e s TYR 935 Ca -0.11 1.38 -0.06 0.00 -2.44 0.00 0.00 57.07 55.84 3i8e s TYR 935 Cb -0.14 -2.82 0.00 0.00 0.35 0.00 0.00 41.96 39.34 3i8e s TYR 935 CO 0.04 0.18 0.06 0.15 -1.34 0.00 0.00 175.55 174.64 3i8e s LYS 936 N 0.38 3.22 0.00 4.97 -0.14 -1.09 -4.85 119.74 122.24 3i8e s LYS 936 Ca 0.39 -0.76 0.00 0.00 -1.36 0.00 0.00 55.97 54.24 3i8e s LYS 936 Cb -0.19 -3.31 0.00 0.00 -1.68 0.00 0.00 37.83 32.65 3i8e s LYS 936 CO 0.21 -0.37 0.10 -2.30 -0.76 0.00 0.00 175.35 172.24 3i8e n PRO 937 N 4.86 0.16 0.00 -1.68 -0.02 -1.26 -1.30 135.00 135.76 3i8e n PRO 937 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3i8e n PRO 937 Cb 0.49 -1.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 3i8e n PRO 937 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3i8e n MET 938 N 0.13 0.00 -0.61 -0.52 0.00 -1.26 -4.68 117.12 110.19 3i8e n MET 938 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.70 57.76 3i8e n MET 938 Cb 0.03 -0.71 0.12 0.00 0.00 0.00 0.00 33.22 32.66 3i8e n MET 938 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 3i8e n GLU 939 N -0.26 0.97 -3.32 2.12 0.28 -1.23 -4.98 120.64 114.22 3i8e n GLU 939 Ca 0.00 -2.52 -0.15 0.00 -0.16 0.00 0.00 57.16 54.34 3i8e n GLU 939 Cb 0.00 -1.11 0.04 0.00 1.43 0.00 0.00 31.44 31.79 3i8e n GLU 939 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i8e n GLY 940 N -0.74 -1.16 3.07 -1.84 0.00 -0.42 -4.92 105.19 99.17 3i8e n GLY 940 Ca 0.13 0.53 -0.19 0.00 0.00 0.00 0.00 46.02 46.49 3i8e n GLY 940 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i8e s ASN 941 N -3.26 1.25 0.21 1.61 3.84 -1.20 -3.87 114.94 113.53 3i8e s ASN 941 Ca 0.29 -0.28 -0.17 0.00 0.21 0.00 0.00 52.86 52.90 3i8e s ASN 941 Cb -0.06 -0.11 -0.08 0.00 -0.55 0.00 0.00 41.25 40.45 3i8e s ASN 941 CO 0.78 0.07 0.67 -0.36 -2.79 0.00 0.00 177.10 175.47 3i8e s PHE 942 N -0.50 3.60 -0.11 0.43 2.99 -1.26 -2.66 117.98 120.47 3i8e s PHE 942 Ca 0.02 1.26 -0.03 0.00 0.00 0.00 0.00 56.93 58.18 3i8e s PHE 942 Cb -0.05 -2.53 0.04 0.00 0.00 0.00 0.00 43.02 40.48 3i8e s PHE 942 CO 0.00 0.33 0.05 -2.00 -0.00 0.00 0.00 175.22 173.60 3i8e s GLU 943 N -2.12 0.24 -0.66 0.44 2.12 -1.10 -4.94 118.70 112.68 3i8e s GLU 943 Ca 0.43 0.07 -0.26 0.00 0.36 0.00 0.00 54.97 55.56 3i8e s GLU 943 Cb -0.15 -1.22 -0.01 0.00 0.26 0.00 0.00 34.13 33.01 3i8e s GLU 943 CO 0.20 -0.46 1.71 -2.00 -0.54 0.00 0.00 175.26 174.17 3i8e s GLU 944 N 2.06 2.78 0.03 4.30 2.12 -1.26 -2.21 118.70 126.53 3i8e s GLU 944 Ca 0.03 0.32 -0.31 0.00 0.36 0.00 0.00 54.97 55.38 3i8e s GLU 944 Cb -0.14 -4.38 -0.17 0.00 0.26 0.00 0.00 34.13 29.70 3i8e s GLU 944 CO -0.06 -2.60 1.32 0.82 -0.54 0.00 0.00 175.26 174.20 3i8e h ILE 945 N 6.68 0.00 -2.73 -3.70 2.04 -1.21 -3.48 117.51 115.10 3i8e h ILE 945 Ca -0.24 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 3i8e h ILE 945 Cb 1.12 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.04 3i8e h ILE 945 CO 1.24 0.00 0.05 0.00 0.00 0.00 0.00 178.15 179.44 3i8e s ALA 946 N -5.38 -1.36 -0.01 1.87 0.00 -1.08 -4.34 121.76 111.47 3i8e s ALA 946 Ca -0.16 0.64 -0.08 0.00 0.00 0.00 0.00 51.96 52.35 3i8e s ALA 946 Cb 0.02 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.52 3i8e s ALA 946 CO 0.49 -0.51 0.16 -0.98 0.00 0.00 0.00 175.76 174.92 3i8e s ARG 947 N -2.41 0.48 0.17 0.00 1.70 -0.33 0.22 118.95 118.77 3i8e s ARG 947 Ca -0.05 -0.31 -0.30 0.00 -0.47 0.00 0.00 55.73 54.60 3i8e s ARG 947 Cb -0.01 0.20 -0.07 0.00 -0.57 0.00 0.00 34.95 34.50 3i8e s ARG 947 CO -0.01 -0.11 0.99 0.34 -1.08 0.00 0.00 175.30 175.42 3i8e s ASP 948 N -1.23 7.48 0.00 -2.89 2.15 -0.34 -2.77 116.67 119.08 3i8e s ASP 948 Ca -0.13 1.92 0.18 0.00 0.43 0.00 0.00 52.55 54.95 3i8e s ASP 948 Cb -0.07 -2.60 0.11 0.00 -0.30 0.00 0.00 42.92 40.06 3i8e s ASP 948 CO 0.02 -0.04 1.02 0.49 -0.17 0.00 0.00 175.17 176.49 3i8e n PHE 949 N 2.24 0.00 -1.50 -5.34 3.01 -1.26 -4.47 117.46 110.15 3i8e n PHE 949 Ca 0.01 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.16 3i8e n PHE 949 Cb 0.48 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.01 3i8e n PHE 949 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3i8e s ASN 950 N -1.61 5.11 -1.07 4.37 -0.87 -1.26 -4.99 114.94 114.62 3i8e s ASN 950 Ca 0.19 1.64 -0.06 0.00 -1.57 0.00 0.00 52.86 53.06 3i8e s ASN 950 Cb 0.15 -2.47 0.29 0.00 -0.02 0.00 0.00 41.25 39.19 3i8e s ASN 950 CO 0.27 -1.62 1.23 -0.81 -2.57 0.00 0.00 177.10 173.60 3i8e n PRO 951 N -3.24 3.82 -3.46 -0.60 -0.04 -1.26 -3.73 135.00 126.48 3i8e n PRO 951 Ca 0.08 -4.51 -0.36 0.00 -0.04 0.00 0.00 63.50 58.67 3i8e n PRO 951 Cb 0.54 -2.52 -0.06 0.00 -0.04 0.00 0.00 33.50 31.42 3i8e n PRO 951 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i8e s ASN 952 N -0.12 6.78 -0.95 3.54 0.01 -1.26 -4.84 114.94 118.10 3i8e s ASN 952 Ca 0.31 0.97 -0.15 0.00 -0.71 0.00 0.00 52.86 53.28 3i8e s ASN 952 Cb -0.03 -2.25 0.19 0.00 0.41 0.00 0.00 41.25 39.57 3i8e s ASN 952 CO -0.01 0.20 1.03 0.26 -1.51 0.00 0.00 177.10 177.07 3i8e s TRP 953 N -1.30 3.56 0.68 2.20 0.52 -1.26 -2.34 118.94 120.99 3i8e s TRP 953 Ca 0.32 -1.88 -0.17 0.00 0.02 0.00 0.00 56.10 54.39 3i8e s TRP 953 Cb -0.16 -4.06 -0.00 0.00 -1.15 0.00 0.00 33.47 28.10 3i8e s TRP 953 CO 0.17 -1.22 1.10 -1.33 0.02 0.00 0.00 176.95 175.69 3i8e n MET 954 N 4.98 0.77 0.00 4.98 2.81 -0.05 -1.36 117.12 129.25 3i8e n MET 954 Ca 0.22 0.32 0.00 0.00 -1.81 0.00 0.00 57.70 56.43 3i8e n MET 954 Cb 0.46 -2.34 0.00 0.00 -0.71 0.00 0.00 33.22 30.63 3i8e n MET 954 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3i8e n SER 955 N -1.70 0.33 -3.63 7.83 3.41 -0.11 -4.63 113.62 115.12 3i8e n SER 955 Ca 0.14 -0.01 -0.11 0.00 -0.26 0.00 0.00 58.87 58.64 3i8e n SER 955 Cb 0.49 0.08 -0.07 0.00 -0.26 0.00 0.00 64.21 64.45 3i8e n SER 955 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i8e s ALA 956 N -0.15 -1.87 -0.02 7.33 0.00 -1.21 -4.66 121.76 121.17 3i8e s ALA 956 Ca 0.00 2.06 0.01 0.00 0.00 0.00 0.00 51.96 54.03 3i8e s ALA 956 Cb 0.00 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.81 3i8e s ALA 956 CO 0.00 -0.32 -0.04 0.08 0.00 0.00 0.00 175.76 175.48 3i8e s VAL 957 N 0.58 0.43 -0.05 0.00 1.01 -1.26 -0.82 120.40 120.29 3i8e s VAL 957 Ca -0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 3i8e s VAL 957 Cb -0.05 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 35.93 3i8e s VAL 957 CO -0.05 0.16 0.12 -0.70 0.00 0.00 0.00 175.10 174.64 3i8e s GLU 958 N 0.44 0.13 -0.24 2.72 2.56 -0.57 -4.80 118.70 118.94 3i8e s GLU 958 Ca -0.05 0.20 -0.23 0.00 0.00 0.00 0.00 54.97 54.89 3i8e s GLU 958 Cb -0.09 0.03 -0.01 0.00 2.00 0.00 0.00 34.13 36.06 3i8e s GLU 958 CO -0.00 -0.04 0.73 0.42 -0.56 0.00 0.00 175.26 175.81 3i8e s ILE 959 N 0.23 4.91 -0.10 -3.70 1.01 -1.26 -0.92 121.20 121.38 3i8e s ILE 959 Ca -0.01 1.36 -0.21 0.00 0.00 0.00 0.00 60.65 61.79 3i8e s ILE 959 Cb -0.02 -4.03 -0.28 0.00 0.01 0.00 0.00 42.46 38.14 3i8e s ILE 959 CO -0.01 -0.02 0.69 -0.07 0.00 0.00 0.00 174.94 175.53 3i8e h LEU 960 N 9.00 0.32 -8.15 2.97 3.38 -0.75 -3.48 115.31 118.61 3i8e h LEU 960 Ca -0.25 -0.88 -0.09 0.00 0.09 0.00 0.00 57.88 56.75 3i8e h LEU 960 Cb 1.11 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3i8e h LEU 960 CO 0.82 1.43 0.14 1.51 0.09 0.00 0.00 178.44 182.43 3i8e s ASP 961 N -6.87 0.25 0.07 -0.43 3.84 -1.16 -4.97 116.67 107.39 3i8e s ASP 961 Ca -0.18 -1.22 0.02 0.00 -0.00 0.00 0.00 52.55 51.17 3i8e s ASP 961 Cb 0.02 0.79 0.11 0.00 -1.38 0.00 0.00 42.92 42.46 3i8e s ASP 961 CO 0.76 -1.57 0.81 0.47 -0.00 0.00 0.00 175.17 175.65 3i8e n ASP 962 N -1.37 0.05 0.00 2.11 9.92 -1.26 -2.08 116.55 123.93 3i8e n ASP 962 Ca -0.06 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 3i8e n ASP 962 Cb 0.60 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.83 3i8e n ASP 962 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3i8e n ASP 963 N -1.38 1.81 -4.59 -2.24 8.00 -1.26 -5.02 116.55 111.88 3i8e n ASP 963 Ca -0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 3i8e n ASP 963 Cb 0.31 0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.43 3i8e n ASP 963 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3i8e s ASN 964 N -2.96 6.63 -0.23 -2.24 0.01 -0.88 -4.03 114.94 111.24 3i8e s ASN 964 Ca 0.00 0.46 -0.02 0.00 -0.71 0.00 0.00 52.86 52.59 3i8e s ASN 964 Cb 0.00 -2.47 0.01 0.00 0.41 0.00 0.00 41.25 39.20 3i8e s ASN 964 CO 0.00 -0.95 -0.08 -0.36 -1.51 0.00 0.00 177.10 174.20 3i8e s PHE 965 N 3.65 2.98 -0.19 2.20 2.99 0.76 0.07 117.98 130.44 3i8e s PHE 965 Ca 0.39 -1.38 -0.15 0.00 0.00 0.00 0.00 56.93 55.79 3i8e s PHE 965 Cb -0.11 -2.05 -0.04 0.00 0.00 0.00 0.00 43.02 40.82 3i8e s PHE 965 CO 0.22 -0.69 0.35 -1.17 -0.00 0.00 0.00 175.22 173.94 3i8e s LEU 966 N 1.37 4.18 0.08 -0.37 0.20 -0.09 -0.01 118.68 124.03 3i8e s LEU 966 Ca 0.03 0.49 0.07 0.00 0.69 0.00 0.00 54.13 55.41 3i8e s LEU 966 Cb -0.15 -2.45 -0.03 0.00 -0.43 0.00 0.00 46.19 43.13 3i8e s LEU 966 CO -0.06 -0.02 -0.19 -0.83 -0.29 0.00 0.00 176.35 174.96 3i8e s GLY 967 N 0.90 1.13 0.17 7.98 0.00 -0.10 -1.51 107.32 115.89 3i8e s GLY 967 Ca 0.18 -1.15 0.09 0.00 0.00 0.00 0.00 44.72 43.84 3i8e s GLY 967 CO 0.07 -1.14 -0.18 0.00 0.00 0.00 0.00 173.10 171.84 3i8e s ALA 968 N -1.10 2.07 -0.21 3.20 0.00 0.00 -0.94 121.76 124.78 3i8e s ALA 968 Ca 0.05 -1.52 -0.20 0.00 0.00 0.00 0.00 51.96 50.29 3i8e s ALA 968 Cb -0.10 -0.19 0.05 0.00 0.00 0.00 0.00 23.12 22.89 3i8e s ALA 968 CO 0.03 0.24 0.57 -2.00 0.00 0.00 0.00 175.76 174.60 3i8e s GLU 969 N -2.87 0.66 0.00 0.00 -6.30 -0.84 -0.93 118.70 108.42 3i8e s GLU 969 Ca 0.17 0.79 0.00 0.00 -2.50 0.00 0.00 54.97 53.43 3i8e s GLU 969 Cb -0.05 0.32 0.00 0.00 0.00 0.00 0.00 34.13 34.40 3i8e s GLU 969 CO 0.07 -0.08 0.00 0.09 0.02 0.00 0.00 175.26 175.36 3i8e n ASN 970 N 2.78 0.00 -1.46 -1.70 4.13 -0.46 0.07 115.26 118.61 3i8e n ASN 970 Ca -0.14 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.07 3i8e n ASN 970 Cb 0.56 0.00 0.14 0.00 -1.54 0.00 0.00 39.78 38.94 3i8e n ASN 970 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i8e n ALA 971 N -2.36 3.73 -1.25 5.41 0.00 -1.26 -4.86 120.51 119.92 3i8e n ALA 971 Ca 0.00 -1.29 -0.09 0.00 0.00 0.00 0.00 53.44 52.07 3i8e n ALA 971 Cb 0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.25 3i8e n ALA 971 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i8e n PHE 972 N -0.06 0.00 -3.97 0.00 3.01 0.11 -4.86 117.46 111.69 3i8e n PHE 972 Ca 0.24 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.34 3i8e n PHE 972 Cb 0.95 -2.35 -0.07 0.00 -0.01 0.00 0.00 39.48 38.00 3i8e n PHE 972 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3i8e s ASN 973 N -2.40 6.10 0.17 4.37 0.01 -1.12 -2.38 114.94 119.69 3i8e s ASN 973 Ca 0.00 0.36 -0.11 0.00 -0.71 0.00 0.00 52.86 52.39 3i8e s ASN 973 Cb 0.00 -1.95 -0.07 0.00 0.41 0.00 0.00 41.25 39.64 3i8e s ASN 973 CO 0.00 0.37 0.53 -0.76 -1.51 0.00 0.00 177.10 175.72 3i8e s LEU 974 N -0.77 4.26 0.15 0.60 1.43 -0.01 -1.98 118.68 122.37 3i8e s LEU 974 Ca 0.13 0.96 -0.08 0.00 -1.03 0.00 0.00 54.13 54.11 3i8e s LEU 974 Cb -0.12 -3.41 -0.01 0.00 0.03 0.00 0.00 46.19 42.68 3i8e s LEU 974 CO 0.03 0.03 0.24 0.72 0.23 0.00 0.00 176.35 177.60 3i8e s PHE 975 N -1.61 0.43 -0.03 0.29 -0.12 -0.12 -1.88 117.98 114.94 3i8e s PHE 975 Ca 0.41 -0.80 0.01 0.00 -0.05 0.00 0.00 56.93 56.50 3i8e s PHE 975 Cb -0.13 -0.11 0.02 0.00 -0.63 0.00 0.00 43.02 42.17 3i8e s PHE 975 CO 0.20 -0.67 -0.02 0.08 -0.05 0.00 0.00 175.22 174.75 3i8e s VAL 976 N -3.97 0.34 0.11 -2.49 1.01 -0.41 -0.92 120.40 114.08 3i8e s VAL 976 Ca 0.17 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.19 3i8e s VAL 976 Cb 0.04 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 3i8e s VAL 976 CO -0.01 0.16 -0.16 0.00 0.00 0.00 0.00 175.10 175.09 3i8e s GLN 978 N -2.17 0.80 0.13 0.00 -2.07 -1.15 -0.17 119.66 115.03 3i8e s GLN 978 Ca 0.19 -0.47 -0.30 0.00 -1.82 0.00 0.00 55.36 52.96 3i8e s GLN 978 Cb -0.11 0.35 -0.07 0.00 -1.09 0.00 0.00 33.01 32.09 3i8e s GLN 978 CO 0.11 -0.25 1.13 -1.59 -1.32 0.00 0.00 175.29 173.36 3i8e s LYS 979 N -2.42 4.53 0.23 9.60 0.00 -1.26 -2.28 119.74 128.15 3i8e s LYS 979 Ca -0.06 1.72 -0.32 0.00 0.00 0.00 0.00 55.97 57.32 3i8e s LYS 979 Cb -0.01 -3.31 -0.12 0.00 0.00 0.00 0.00 37.83 34.38 3i8e s LYS 979 CO -0.02 -0.05 1.64 -3.47 0.00 0.00 0.00 175.35 173.44 3i8e n ASP 980 N 2.98 3.72 -3.46 0.03 2.03 -1.25 -4.92 116.55 115.68 3i8e n ASP 980 Ca 0.05 1.10 -0.32 0.00 0.52 0.00 0.00 54.79 56.14 3i8e n ASP 980 Cb 0.46 -1.55 -0.04 0.00 -0.72 0.00 0.00 41.12 39.28 3i8e n ASP 980 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3i8e n SER 981 N 3.13 4.94 -4.58 1.67 7.64 -1.26 -4.67 113.62 120.49 3i8e n SER 981 Ca 0.13 -3.53 -0.27 0.00 1.01 0.00 0.00 58.87 56.22 3i8e n SER 981 Cb 0.34 -0.83 -0.11 0.00 -1.01 0.00 0.00 64.21 62.61 3i8e n SER 981 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i8e s ALA 982 N -3.01 3.05 1.29 -0.43 0.00 -1.26 -5.16 121.76 116.24 3i8e s ALA 982 Ca 0.40 -2.05 -0.21 0.00 0.00 0.00 0.00 51.96 50.09 3i8e s ALA 982 Cb 0.16 0.29 0.32 0.00 0.00 0.00 0.00 23.12 23.90 3i8e s ALA 982 CO -0.03 -0.16 1.07 0.00 0.00 0.00 0.00 175.76 176.63 3i8e s ALA 983 N -2.88 0.24 -1.09 0.00 0.00 -1.26 -4.55 121.76 112.22 3i8e s ALA 983 Ca 0.33 -1.01 -0.08 0.00 0.00 0.00 0.00 51.96 51.20 3i8e s ALA 983 Cb 0.09 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 20.30 3i8e s ALA 983 CO 0.16 -3.95 0.90 0.25 0.00 0.00 0.00 175.76 173.12 3i8e n THR 984 N -5.07 -8.11 0.36 0.00 -2.24 -1.26 -4.71 114.28 93.25 3i8e n THR 984 Ca 0.14 -1.17 0.01 0.00 -2.27 0.00 0.00 64.05 60.76 3i8e n THR 984 Cb 0.60 -5.89 0.12 0.00 -2.10 0.00 0.00 70.33 63.07 3i8e n THR 984 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i8e n THR 985 N -3.53 1.03 0.43 4.28 -2.24 -1.26 -3.11 114.28 109.88 3i8e n THR 985 Ca -0.11 -0.48 0.11 0.00 -2.27 0.00 0.00 64.05 61.30 3i8e n THR 985 Cb 0.62 -0.49 0.26 0.00 -2.10 0.00 0.00 70.33 68.63 3i8e n THR 985 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i8e n ASP 986 N 0.17 3.00 0.10 3.42 9.92 -1.26 -4.15 116.55 127.75 3i8e n ASP 986 Ca 0.11 -1.94 0.00 0.00 -0.53 0.00 0.00 54.79 52.43 3i8e n ASP 986 Cb 0.61 -0.27 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 3i8e n ASP 986 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3i8e n GLU 987 N 1.17 0.00 0.21 -1.24 4.07 -1.18 -4.77 120.64 118.91 3i8e n GLU 987 Ca 0.19 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.37 3i8e n GLU 987 Cb 0.51 0.00 0.44 0.00 -0.06 0.00 0.00 31.44 32.33 3i8e n GLU 987 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3i8e h GLU 988 N 0.00 0.00 -0.20 5.31 5.08 -1.82 -1.76 114.58 121.19 3i8e h GLU 988 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 3i8e h GLU 988 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i8e h GLU 988 CO 0.00 0.27 -0.57 -0.09 -1.00 0.00 0.00 179.01 177.62 3i8e h ARG 989 N 0.00 0.64 -0.07 2.33 9.65 -1.79 -3.26 114.38 121.88 3i8e h ARG 989 Ca -0.00 -0.42 0.02 0.00 -1.10 0.00 0.00 59.98 58.48 3i8e h ARG 989 Cb 0.76 0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.39 3i8e h ARG 989 CO 0.04 1.04 0.06 0.37 2.80 0.00 0.00 179.97 184.27 3i8e h GLN 990 N 0.49 0.00 -5.73 0.20 5.75 -1.51 -3.41 115.11 110.89 3i8e h GLN 990 Ca 0.00 0.00 -0.67 0.00 -0.15 0.00 0.00 58.65 57.84 3i8e h GLN 990 Cb 1.14 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 29.57 3i8e h GLN 990 CO 0.11 0.00 -0.56 -1.01 -2.65 0.00 0.00 178.83 174.72 3i8e s HIS 991 N -4.92 3.33 -0.19 3.99 3.76 -1.15 -1.18 115.29 118.92 3i8e s HIS 991 Ca -0.05 0.29 -0.02 0.00 -0.15 0.00 0.00 55.06 55.13 3i8e s HIS 991 Cb 0.17 -1.89 -0.00 0.00 1.11 0.00 0.00 32.58 31.96 3i8e s HIS 991 CO 0.64 0.51 -0.09 -0.48 -0.85 0.00 0.00 174.74 174.47 3i8e s LEU 992 N -0.72 2.72 0.38 0.89 0.05 -1.11 -3.95 118.68 116.94 3i8e s LEU 992 Ca 0.12 -0.42 -0.23 0.00 0.05 0.00 0.00 54.13 53.64 3i8e s LEU 992 Cb -0.12 -1.66 -0.10 0.00 -2.05 0.00 0.00 46.19 42.26 3i8e s LEU 992 CO 0.03 0.03 0.96 -1.10 -0.55 0.00 0.00 176.35 175.72 3i8e s GLN 993 N 1.17 4.36 -0.79 1.48 1.11 -0.96 -4.44 119.66 121.58 3i8e s GLN 993 Ca 0.02 1.26 -0.26 0.00 0.01 0.00 0.00 55.36 56.39 3i8e s GLN 993 Cb -0.14 -2.48 0.02 0.00 -1.01 0.00 0.00 33.01 29.39 3i8e s GLN 993 CO -0.03 0.07 1.48 -1.21 0.01 0.00 0.00 175.29 175.62 3i8e s GLU 994 N -2.62 3.13 -0.03 2.91 2.02 -1.26 -2.95 118.70 119.88 3i8e s GLU 994 Ca 0.57 -0.29 0.16 0.00 0.02 0.00 0.00 54.97 55.42 3i8e s GLU 994 Cb -0.15 -4.56 0.52 0.00 0.10 0.00 0.00 34.13 30.04 3i8e s GLU 994 CO 0.19 -2.37 1.42 1.33 0.02 0.00 0.00 175.26 175.85 3i8e n VAL 995 N 6.77 1.00 -3.15 2.63 0.24 -0.69 -4.81 118.33 120.33 3i8e n VAL 995 Ca 0.16 -0.80 0.06 0.00 -2.04 0.00 0.00 64.34 61.72 3i8e n VAL 995 Cb 0.50 0.24 -0.01 0.00 -1.47 0.00 0.00 33.84 33.09 3i8e n VAL 995 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3i8e s GLY 996 N -0.92 -0.31 0.39 7.63 0.00 -1.22 -4.35 107.32 108.53 3i8e s GLY 996 Ca 0.38 2.87 0.08 0.00 0.00 0.00 0.00 44.72 48.05 3i8e s GLY 996 CO 0.23 3.99 0.45 1.08 0.00 0.00 0.00 173.10 178.85 3i8e s LEU 997 N 2.98 3.64 0.00 0.66 1.43 -1.14 -1.28 118.68 124.97 3i8e s LEU 997 Ca 0.01 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 3i8e s LEU 997 Cb -0.07 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.71 3i8e s LEU 997 CO -0.11 -0.59 0.00 0.33 0.23 0.00 0.00 176.35 176.21 3i8e n PHE 998 N -1.64 0.00 -3.52 0.29 7.35 -0.79 -3.21 117.46 115.94 3i8e n PHE 998 Ca 0.03 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.31 3i8e n PHE 998 Cb 0.60 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.37 3i8e n PHE 998 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 3i8e s HIS 999 N -0.97 3.69 0.22 -5.13 5.65 -0.85 -0.82 115.29 117.09 3i8e s HIS 999 Ca 0.00 -2.49 -0.07 0.00 0.25 0.00 0.00 55.06 52.75 3i8e s HIS 999 Cb 0.00 -3.50 0.33 0.00 -1.18 0.00 0.00 32.58 28.23 3i8e s HIS 999 CO 0.00 -0.89 1.78 1.25 -0.65 0.00 0.00 174.74 176.23 3i8e h LEU 1000N 7.11 0.45 -0.53 8.88 6.46 -1.85 -3.43 115.31 132.40 3i8e h LEU 1000Ca 0.08 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 3i8e h LEU 1000Cb 0.96 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 3i8e h LEU 1000CO 0.77 0.26 0.00 0.61 -0.62 0.00 0.00 178.44 179.46 3i8e n GLY 1001N -1.30 0.71 3.47 3.75 0.00 -1.00 -5.06 105.19 105.75 3i8e n GLY 1001Ca 0.11 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.30 3i8e n GLY 1001CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i8e s GLU 1002N -4.45 0.51 -0.16 1.61 0.41 -1.25 -4.92 118.70 110.45 3i8e s GLU 1002Ca 0.00 1.15 -0.29 0.00 -0.41 0.00 0.00 54.97 55.42 3i8e s GLU 1002Cb 0.00 0.35 -0.04 0.00 -1.78 0.00 0.00 34.13 32.66 3i8e s GLU 1002CO 0.00 -0.19 1.70 0.12 -0.49 0.00 0.00 175.26 176.40 3i8e s PHE 1003N 2.18 1.94 -0.38 1.61 5.99 -1.26 -4.60 117.98 123.45 3i8e s PHE 1003Ca -0.07 0.39 -0.16 0.00 0.00 0.00 0.00 56.93 57.09 3i8e s PHE 1003Cb -0.09 -3.98 0.00 0.00 0.00 0.00 0.00 43.02 38.95 3i8e s PHE 1003CO -0.16 -3.44 0.38 0.08 -0.00 0.00 0.00 175.22 172.08 3i8e s VAL 1004N 5.11 5.15 -0.09 3.12 1.01 -1.26 -2.28 120.40 131.17 3i8e s VAL 1004Ca 0.75 -0.20 -0.25 0.00 0.00 0.00 0.00 61.98 62.29 3i8e s VAL 1004Cb -0.29 -3.91 -0.29 0.00 0.00 0.00 0.00 36.38 31.89 3i8e s VAL 1004CO 0.30 -0.24 0.83 0.78 0.00 0.00 0.00 175.10 176.77 3i8e h ASN 1005N 8.58 0.27 -3.75 3.32 2.35 -1.62 -3.36 115.58 121.37 3i8e h ASN 1005Ca -0.28 -0.96 -0.20 0.00 -0.55 0.00 0.00 56.30 54.30 3i8e h ASN 1005Cb 1.13 -0.09 -0.27 0.00 0.05 0.00 0.00 38.32 39.14 3i8e h ASN 1005CO 0.73 1.24 -0.58 0.54 -1.65 0.00 0.00 177.43 177.71 3i8e s VAL 1006N -2.34 -0.00 0.28 2.81 0.11 -1.01 -4.66 120.40 115.59 3i8e s VAL 1006Ca -0.16 0.01 0.09 0.00 -2.93 0.00 0.00 61.98 58.99 3i8e s VAL 1006Cb -0.01 -0.18 -0.04 0.00 -1.53 0.00 0.00 36.38 34.62 3i8e s VAL 1006CO 0.77 0.00 0.01 -0.36 -3.33 0.00 0.00 175.10 172.19 3i8e s PHE 1007N 0.13 2.67 -0.11 1.54 2.99 -1.26 -1.23 117.98 122.71 3i8e s PHE 1007Ca -0.01 -0.26 -0.33 0.00 0.00 0.00 0.00 56.93 56.33 3i8e s PHE 1007Cb -0.01 -1.26 0.14 0.00 0.00 0.00 0.00 43.02 41.89 3i8e s PHE 1007CO -0.00 0.58 1.36 0.00 -0.00 0.00 0.00 175.22 177.16 3i8e s HIS 1009N -2.20 3.49 0.00 0.00 3.76 -1.26 -0.02 115.29 119.06 3i8e s HIS 1009Ca 0.14 0.72 0.00 0.00 -0.15 0.00 0.00 55.06 55.76 3i8e s HIS 1009Cb 0.04 -2.12 0.00 0.00 1.11 0.00 0.00 32.58 31.61 3i8e s HIS 1009CO -0.05 0.41 0.00 0.41 -0.85 0.00 0.00 174.74 174.66 3i8e n GLY 1010N 0.23 3.90 3.03 -2.22 0.00 -1.21 -4.64 105.19 104.29 3i8e n GLY 1010Ca -0.03 -1.63 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 3i8e n GLY 1010CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i8e s SER 1011N 0.00 0.44 0.00 1.61 0.15 -1.26 -4.40 113.70 110.25 3i8e s SER 1011Ca 0.00 -0.64 0.27 0.00 0.70 0.00 0.00 55.95 56.28 3i8e s SER 1011Cb 0.00 0.11 0.86 0.00 -1.71 0.00 0.00 66.02 65.28 3i8e s SER 1011CO 0.00 -0.35 1.63 0.18 1.20 0.00 0.00 173.24 175.90 3i8e n LEU 1012N 1.19 0.93 0.00 3.45 4.77 -1.26 -3.44 117.00 122.64 3i8e n LEU 1012Ca -0.21 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 3i8e n LEU 1012Cb 0.56 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3i8e n LEU 1012CO 0.22 0.17 0.00 1.33 -1.33 0.00 0.00 177.39 177.79 3i8e n VAL 1013N -0.68 0.00 -0.86 4.08 0.24 -1.26 -4.18 118.33 115.66 3i8e n VAL 1013Ca 0.13 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.44 3i8e n VAL 1013Cb 0.33 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.70 3i8e n VAL 1013CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 3i8e n MET 1014N 0.00 -0.13 0.29 7.34 0.00 -1.26 -4.40 117.12 118.96 3i8e n MET 1014Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 57.70 57.86 3i8e n MET 1014Cb 0.00 -0.16 0.37 0.00 0.00 0.00 0.00 33.22 33.43 3i8e n MET 1014CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 3i8e h GLN 1015N 0.00 0.00 0.00 3.17 1.08 -2.00 -3.37 115.11 114.00 3i8e h GLN 1015Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i8e h GLN 1015Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3i8e h GLN 1015CO 0.00 0.00 0.00 -2.30 -0.95 0.00 0.00 178.83 175.58 3i8e n PRO 1023N -2.49 0.00 -0.77 1.46 -0.02 -1.26 -3.36 135.00 128.56 3i8e n PRO 1023Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3i8e n PRO 1023Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.11 3i8e n PRO 1023CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i8e n THR 1024N 0.00 0.00 -3.64 3.45 -2.24 -1.26 -4.87 114.28 105.72 3i8e n THR 1024Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 3i8e n THR 1024Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 3i8e n THR 1024CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3i8e s GLN 1025N -0.16 0.69 0.00 -0.78 0.74 -1.15 -5.04 119.66 113.96 3i8e s GLN 1025Ca 0.00 1.25 0.00 0.00 0.05 0.00 0.00 55.36 56.66 3i8e s GLN 1025Cb 0.00 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.34 3i8e s GLN 1025CO 0.00 -0.15 0.00 0.41 -0.55 0.00 0.00 175.29 175.00 3i8e n GLY 1026N 4.45 -0.87 3.20 2.59 0.00 -1.26 -2.28 105.19 111.01 3i8e n GLY 1026Ca -0.19 -1.68 0.04 0.00 0.00 0.00 0.00 46.02 44.19 3i8e n GLY 1026CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i8e s SER 1027N -1.98 -0.21 -0.22 1.61 0.15 -1.26 -4.70 113.70 107.08 3i8e s SER 1027Ca 0.00 0.22 -0.02 0.00 0.70 0.00 0.00 55.95 56.85 3i8e s SER 1027Cb 0.00 1.21 0.07 0.00 -1.71 0.00 0.00 66.02 65.59 3i8e s SER 1027CO 0.00 -0.04 0.04 -0.69 1.20 0.00 0.00 173.24 173.75 3i8e s VAL 1028N 2.46 0.68 0.38 4.45 1.01 0.60 -3.29 120.40 126.69 3i8e s VAL 1028Ca -0.03 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 60.94 3i8e s VAL 1028Cb -0.05 -1.23 -0.10 0.00 0.00 0.00 0.00 36.38 35.00 3i8e s VAL 1028CO -0.13 -0.31 0.92 -0.76 0.00 0.00 0.00 175.10 174.82 3i8e s LEU 1029N 1.77 4.10 0.01 3.92 1.43 0.97 -0.71 118.68 130.16 3i8e s LEU 1029Ca 0.01 1.69 0.01 0.00 -1.03 0.00 0.00 54.13 54.81 3i8e s LEU 1029Cb -0.17 -4.28 -0.01 0.00 0.03 0.00 0.00 46.19 41.76 3i8e s LEU 1029CO -0.12 -0.23 -0.05 0.72 0.23 0.00 0.00 176.35 176.90 3i8e s PHE 1030N -1.95 0.40 -0.06 0.29 -0.12 -1.02 -1.22 117.98 114.31 3i8e s PHE 1030Ca 0.57 -0.18 -0.00 0.00 -0.05 0.00 0.00 56.93 57.27 3i8e s PHE 1030Cb -0.13 -0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 41.98 3i8e s PHE 1030CO 0.17 -0.03 -0.01 0.20 -0.05 0.00 0.00 175.22 175.50 3i8e s GLY 1031N -0.45 1.82 0.44 1.99 0.00 -0.36 -0.75 107.32 110.00 3i8e s GLY 1031Ca -0.02 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 43.89 3i8e s GLY 1031CO -0.00 -0.65 0.02 -0.51 0.00 0.00 0.00 173.10 171.96 3i8e s THR 1032N -0.91 1.52 0.32 0.90 -4.23 -0.99 -1.83 115.64 110.41 3i8e s THR 1032Ca 0.14 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.75 3i8e s THR 1032Cb -0.11 -2.63 0.04 0.00 1.34 0.00 0.00 72.50 71.13 3i8e s THR 1032CO 0.04 0.00 1.72 0.58 -0.54 0.00 0.00 174.62 176.42 3i8e h VAL 1033N 1.66 1.33 -0.01 2.29 2.07 -1.68 -2.54 116.25 119.37 3i8e h VAL 1033Ca -0.43 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.51 3i8e h VAL 1033Cb 1.27 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 3i8e h VAL 1033CO 0.76 0.46 -0.07 0.59 0.02 0.00 0.00 177.57 179.33 3i8e n ASN 1034N -4.00 0.76 0.00 0.57 3.02 -1.26 -3.24 115.26 111.12 3i8e n ASN 1034Ca -0.02 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 3i8e n ASN 1034Cb 0.49 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 3i8e n ASN 1034CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i8e n GLY 1035N 1.20 0.69 3.74 7.41 0.00 -1.06 -0.86 105.19 116.30 3i8e n GLY 1035Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3i8e n GLY 1035CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i8e s MET 1036N -0.65 4.40 -0.24 1.61 0.00 -1.26 -4.41 119.30 118.75 3i8e s MET 1036Ca 0.00 2.04 -0.05 0.00 0.00 0.00 0.00 55.69 57.67 3i8e s MET 1036Cb 0.00 -3.19 -0.01 0.00 0.00 0.00 0.00 34.83 31.62 3i8e s MET 1036CO 0.00 -0.22 0.01 0.42 0.00 0.00 0.00 175.02 175.22 3i8e s ILE 1037N 0.03 3.73 0.58 10.11 1.01 -0.60 -2.33 121.20 133.72 3i8e s ILE 1037Ca 0.56 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.86 3i8e s ILE 1037Cb -0.36 -2.74 0.07 0.00 0.01 0.00 0.00 42.46 39.44 3i8e s ILE 1037CO 0.39 0.35 0.63 -0.83 0.00 0.00 0.00 174.94 175.47 3i8e s GLY 1038N 1.52 2.04 -0.15 6.18 0.00 0.07 -1.62 107.32 115.36 3i8e s GLY 1038Ca 0.05 -1.69 -0.04 0.00 0.00 0.00 0.00 44.72 43.04 3i8e s GLY 1038CO -0.00 -1.84 0.25 -2.27 0.00 0.00 0.00 173.10 169.24 3i8e s LEU 1039N -4.52 -0.26 -0.07 0.66 2.96 0.11 -2.42 118.68 115.14 3i8e s LEU 1039Ca 0.48 0.37 -0.08 0.00 -0.22 0.00 0.00 54.13 54.67 3i8e s LEU 1039Cb -0.04 0.62 -0.04 0.00 0.50 0.00 0.00 46.19 47.23 3i8e s LEU 1039CO 0.30 -0.26 0.21 -0.69 -1.32 0.00 0.00 176.35 174.59 3i8e s VAL 1040N 2.40 5.39 0.02 1.68 1.01 0.11 -0.76 120.40 130.24 3i8e s VAL 1040Ca 0.03 0.29 -0.00 0.00 0.00 0.00 0.00 61.98 62.30 3i8e s VAL 1040Cb -0.13 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 3i8e s VAL 1040CO -0.10 0.55 -0.03 -0.89 0.00 0.00 0.00 175.10 174.64 3i8e s THR 1041N -1.10 0.12 0.19 3.92 2.01 -0.40 -0.29 115.64 120.08 3i8e s THR 1041Ca 0.19 -0.95 -0.05 0.00 0.31 0.00 0.00 61.69 61.19 3i8e s THR 1041Cb -0.13 -0.31 -0.06 0.00 0.01 0.00 0.00 72.50 72.01 3i8e s THR 1041CO 0.08 -0.52 0.44 -0.44 -0.69 0.00 0.00 174.62 173.49 3i8e s SER 1042N -1.52 6.50 0.24 3.53 0.01 -0.97 -1.08 113.70 120.42 3i8e s SER 1042Ca -0.15 0.66 0.11 0.00 1.31 0.00 0.00 55.95 57.88 3i8e s SER 1042Cb -0.09 -2.12 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 3i8e s SER 1042CO -0.01 -0.02 -0.18 -0.76 0.41 0.00 0.00 173.24 172.68 3i8e s LEU 1043N -2.87 2.64 0.20 2.44 1.43 0.12 -2.92 118.68 119.72 3i8e s LEU 1043Ca 0.42 -0.90 -0.19 0.00 -1.03 0.00 0.00 54.13 52.43 3i8e s LEU 1043Cb -0.12 -1.23 -0.08 0.00 0.03 0.00 0.00 46.19 44.79 3i8e s LEU 1043CO 0.25 0.07 0.69 -0.94 0.23 0.00 0.00 176.35 176.65 3i8e s SER 1044N -3.20 7.03 0.26 2.29 1.04 -1.26 -4.64 113.70 115.22 3i8e s SER 1044Ca 0.27 1.37 -0.10 0.00 0.48 0.00 0.00 55.95 57.96 3i8e s SER 1044Cb -0.06 -2.40 0.39 0.00 0.10 0.00 0.00 66.02 64.04 3i8e s SER 1044CO 0.14 0.06 1.57 1.05 0.98 0.00 0.00 173.24 177.04 3i8e h GLU 1045N 3.50 -0.01 -0.44 4.02 9.09 -2.01 0.54 114.58 129.28 3i8e h GLU 1045Ca -0.48 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 58.82 3i8e h GLU 1045Cb 1.19 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.28 3i8e h GLU 1045CO 0.65 -0.00 -0.16 0.66 0.05 0.00 0.00 179.01 180.21 3i8e h SER 1046N -0.01 0.91 0.03 3.06 4.64 -2.00 -3.03 113.55 117.15 3i8e h SER 1046Ca 0.43 -0.38 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 3i8e h SER 1046Cb 0.66 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3i8e h SER 1046CO -0.94 1.09 -0.10 -0.50 -0.87 0.00 0.00 176.83 175.51 3i8e h TRP 1047N 0.72 0.18 0.66 4.77 4.06 -1.30 -2.19 115.95 122.86 3i8e h TRP 1047Ca 0.10 -0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.01 3i8e h TRP 1047Cb 0.72 -0.05 0.01 0.00 -1.00 0.00 0.00 29.16 28.83 3i8e h TRP 1047CO 0.05 0.27 -0.32 -0.92 -3.56 0.00 0.00 178.44 173.97 3i8e h TYR 1048N 0.17 -0.83 -0.70 0.49 3.20 -1.36 -2.21 116.97 115.73 3i8e h TYR 1048Ca 0.04 -0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.07 3i8e h TYR 1048Cb 0.28 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 3i8e h TYR 1048CO 0.00 -0.51 0.49 -0.91 -1.64 0.00 0.00 178.16 175.59 3i8e h ASN 1049N -1.12 0.14 0.22 -2.11 2.35 -1.35 0.51 115.58 114.22 3i8e h ASN 1049Ca -0.09 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 3i8e h ASN 1049Cb 0.68 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.04 3i8e h ASN 1049CO 0.15 0.07 -0.11 0.25 -1.65 0.00 0.00 177.43 176.14 3i8e h LEU 1050N 0.15 -0.25 -0.34 1.61 6.46 -1.48 -3.13 115.31 118.33 3i8e h LEU 1050Ca 0.34 -0.28 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 3i8e h LEU 1050Cb 1.13 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.11 3i8e h LEU 1050CO -0.05 0.23 0.09 -0.07 -0.62 0.00 0.00 178.44 178.02 3i8e h LEU 1051N -0.82 0.50 -0.98 2.25 3.38 0.46 0.21 115.31 120.31 3i8e h LEU 1051Ca -0.03 -0.22 0.11 0.00 0.09 0.00 0.00 57.88 57.83 3i8e h LEU 1051Cb 0.51 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 3i8e h LEU 1051CO 0.05 0.59 0.61 0.25 0.09 0.00 0.00 178.44 180.03 3i8e h LEU 1052N 0.39 0.90 0.45 1.67 6.46 -0.58 0.47 115.31 125.06 3i8e h LEU 1052Ca 0.11 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 3i8e h LEU 1052Cb 0.27 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 3i8e h LEU 1052CO -0.00 0.49 -0.22 -0.78 -0.62 0.00 0.00 178.44 177.31 3i8e h ASP 1053N 0.98 -0.51 0.00 1.25 3.58 -1.36 -1.36 116.42 119.00 3i8e h ASP 1053Ca 0.48 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.92 3i8e h ASP 1053Cb 0.44 0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.63 3i8e h ASP 1053CO -0.26 -0.08 0.06 0.00 -2.88 0.00 0.00 179.24 176.08 3i8e h MET 1054N -1.14 0.00 -0.05 0.28 -0.00 -0.41 0.97 114.93 114.57 3i8e h MET 1054Ca -0.06 0.00 -0.22 0.00 -0.00 0.00 0.00 59.70 59.42 3i8e h MET 1054Cb 0.49 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.10 3i8e h MET 1054CO 0.10 0.00 -0.83 0.37 -0.00 0.00 0.00 176.91 176.55 3i8e h GLN 1055N 0.00 0.66 -0.47 -0.10 4.15 0.06 -2.93 115.11 116.48 3i8e h GLN 1055Ca 0.00 -0.64 -0.08 0.00 0.77 0.00 0.00 58.65 58.70 3i8e h GLN 1055Cb 0.11 0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 3i8e h GLN 1055CO 0.00 1.24 -0.03 -0.91 -1.93 0.00 0.00 178.83 177.20 3i8e h ASN 1056N 0.32 0.77 -0.27 -0.69 -0.26 0.21 -3.06 115.58 112.60 3i8e h ASN 1056Ca -0.09 -0.20 -0.02 0.00 -0.56 0.00 0.00 56.30 55.43 3i8e h ASN 1056Cb 1.49 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 38.53 3i8e h ASN 1056CO 0.17 0.85 0.09 0.03 -1.06 0.00 0.00 177.43 177.51 3i8e h ARG 1057N 0.74 0.41 -0.45 0.81 2.47 -1.29 -3.18 114.38 113.88 3i8e h ARG 1057Ca 0.14 -0.08 0.09 0.00 -1.26 0.00 0.00 59.98 58.87 3i8e h ARG 1057Cb 0.49 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.73 3i8e h ARG 1057CO 0.02 0.46 0.31 -0.07 0.56 0.00 0.00 179.97 181.26 3i8e h LEU 1058N 0.27 0.18 -0.78 3.04 3.38 -1.42 -1.82 115.31 118.16 3i8e h LEU 1058Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3i8e h LEU 1058Cb 0.22 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3i8e h LEU 1058CO -0.00 0.11 0.36 0.78 0.09 0.00 0.00 178.44 179.78 3i8e h ASN 1059N 0.21 1.03 0.24 -0.43 2.35 -1.51 0.04 115.58 117.51 3i8e h ASN 1059Ca 0.21 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 3i8e h ASN 1059Cb 0.56 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3i8e h ASN 1059CO -0.04 0.89 -0.30 0.11 -1.65 0.00 0.00 177.43 176.44 3i8e h LYS 1060N 1.10 0.10 0.07 0.81 1.57 -1.43 -3.33 116.57 115.46 3i8e h LYS 1060Ca 0.26 -0.03 -0.37 0.00 -1.87 0.00 0.00 60.65 58.64 3i8e h LYS 1060Cb 0.14 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 3i8e h LYS 1060CO -0.03 0.40 -2.17 0.28 -0.57 0.00 0.00 179.45 177.35 3i8e n VAL 1061N -4.15 1.66 -2.90 0.50 0.31 -1.05 -4.87 118.33 107.82 3i8e n VAL 1061Ca -0.02 -0.64 -0.41 0.00 -0.01 0.00 0.00 64.34 63.26 3i8e n VAL 1061Cb 0.37 -1.54 -0.04 0.00 -0.91 0.00 0.00 33.84 31.72 3i8e n VAL 1061CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3i8e s ILE 1062N -2.54 4.89 -0.52 2.52 1.01 -0.02 -5.02 121.20 121.51 3i8e s ILE 1062Ca -0.26 1.61 -0.26 0.00 0.00 0.00 0.00 60.65 61.73 3i8e s ILE 1062Cb 0.08 -4.13 0.03 0.00 0.01 0.00 0.00 42.46 38.45 3i8e s ILE 1062CO 0.71 0.03 1.04 -1.59 0.00 0.00 0.00 174.94 175.13 3i8e s LYS 1063N 2.13 3.51 0.58 2.79 0.00 -1.26 -4.80 119.74 122.69 3i8e s LYS 1063Ca 0.38 0.15 -0.20 0.00 0.00 0.00 0.00 55.97 56.29 3i8e s LYS 1063Cb -0.16 -3.98 -0.03 0.00 0.00 0.00 0.00 37.83 33.65 3i8e s LYS 1063CO 0.12 -1.44 1.29 0.45 0.00 0.00 0.00 175.35 175.77 3i8e s SER 1064N 2.64 5.08 -0.01 0.03 0.15 -1.26 -4.98 113.70 115.35 3i8e s SER 1064Ca 0.39 2.61 -0.12 0.00 0.70 0.00 0.00 55.95 59.53 3i8e s SER 1064Cb -0.09 -2.62 -0.06 0.00 -1.71 0.00 0.00 66.02 61.53 3i8e s SER 1064CO 0.25 -1.68 0.72 0.58 1.20 0.00 0.00 173.24 174.31 3i8e h VAL 1065N 1.05 0.00 0.00 4.45 2.07 -1.88 -2.74 116.25 119.20 3i8e h VAL 1065Ca -0.51 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3i8e h VAL 1065Cb 1.31 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3i8e h VAL 1065CO 0.56 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.76 3i8e n GLY 1066N 0.10 0.31 3.45 2.17 0.00 -1.26 -4.58 105.19 105.37 3i8e n GLY 1066Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 3i8e n GLY 1066CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i8e n LYS 1067N -0.23 -4.69 -4.07 1.61 4.76 -1.03 -4.86 118.16 109.65 3i8e n LYS 1067Ca 0.00 0.78 -0.35 0.00 -2.87 0.00 0.00 58.31 55.88 3i8e n LYS 1067Cb 0.13 -5.61 -0.13 0.00 -1.84 0.00 0.00 35.03 27.58 3i8e n LYS 1067CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3i8e s ILE 1068N -3.44 3.75 -0.12 -0.18 1.01 -1.26 -5.01 121.20 115.95 3i8e s ILE 1068Ca 0.16 -0.38 -0.39 0.00 0.00 0.00 0.00 60.65 60.05 3i8e s ILE 1068Cb -0.03 -2.70 -0.16 0.00 0.01 0.00 0.00 42.46 39.59 3i8e s ILE 1068CO 0.76 0.43 1.57 1.21 0.00 0.00 0.00 174.94 178.91 3i8e n GLU 1069N 4.36 1.14 -0.01 2.79 4.07 -1.26 -4.76 120.64 126.97 3i8e n GLU 1069Ca -0.17 0.42 -0.10 0.00 -0.06 0.00 0.00 57.16 57.24 3i8e n GLU 1069Cb 0.52 -2.08 0.05 0.00 -0.06 0.00 0.00 31.44 29.86 3i8e n GLU 1069CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3i8e h HIS 1070N 6.05 0.76 -0.05 4.31 -0.00 -1.96 -2.43 115.15 121.82 3i8e h HIS 1070Ca -0.47 -0.26 -0.08 0.00 -0.00 0.00 0.00 60.37 59.56 3i8e h HIS 1070Cb 1.33 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.58 3i8e h HIS 1070CO 0.70 1.00 -0.35 0.66 -0.00 0.00 0.00 177.93 179.93 3i8e h SER 1071N 0.48 0.10 -0.06 3.26 4.64 -1.98 -1.48 113.55 118.51 3i8e h SER 1071Ca 0.02 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 3i8e h SER 1071Cb 1.06 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3i8e h SER 1071CO 0.10 0.45 -0.04 0.15 -0.87 0.00 0.00 176.83 176.62 3i8e h PHE 1072N 0.09 0.16 -0.98 4.77 3.57 -1.93 -2.97 116.94 119.65 3i8e h PHE 1072Ca 0.01 -0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.58 3i8e h PHE 1072Cb 0.67 -0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.29 3i8e h PHE 1072CO 0.00 0.55 0.61 2.35 -2.23 0.00 0.00 178.31 179.60 3i8e h TRP 1073N -0.27 1.11 -0.00 0.41 -0.00 -1.29 -2.23 115.95 113.67 3i8e h TRP 1073Ca 0.01 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 3i8e h TRP 1073Cb 0.52 -0.35 0.00 0.00 -0.00 0.00 0.00 29.16 29.33 3i8e h TRP 1073CO 0.08 0.45 -0.01 0.54 -0.00 0.00 0.00 178.44 179.50 3i8e n ARG 1074N -4.63 1.08 -2.51 2.65 5.12 -0.57 -4.68 116.66 113.12 3i8e n ARG 1074Ca 0.18 -0.26 -0.38 0.00 -1.93 0.00 0.00 57.85 55.46 3i8e n ARG 1074Cb 0.33 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 30.10 3i8e n ARG 1074CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3i8e s SER 1075N -2.10 7.00 0.22 0.55 0.01 -0.84 -2.00 113.70 116.55 3i8e s SER 1075Ca 0.42 2.15 -0.31 0.00 1.31 0.00 0.00 55.95 59.52 3i8e s SER 1075Cb 0.21 -2.61 -0.10 0.00 0.21 0.00 0.00 66.02 63.74 3i8e s SER 1075CO 0.38 -0.32 1.49 0.12 0.41 0.00 0.00 173.24 175.31 3i8e s PHE 1076N -1.41 3.02 -0.27 2.43 5.36 0.12 -4.33 117.98 122.90 3i8e s PHE 1076Ca 0.51 0.89 -0.01 0.00 -0.96 0.00 0.00 56.93 57.36 3i8e s PHE 1076Cb -0.27 -3.86 0.13 0.00 -0.34 0.00 0.00 43.02 38.68 3i8e s PHE 1076CO 0.34 -2.94 0.30 -1.58 -1.46 0.00 0.00 175.22 169.88 3i8e s HIS 1077N 0.38 -0.52 0.52 10.12 5.65 -1.26 -2.05 115.29 128.13 3i8e s HIS 1077Ca 0.63 0.06 0.06 0.00 0.25 0.00 0.00 55.06 56.07 3i8e s HIS 1077Cb -0.43 -0.36 0.03 0.00 -1.18 0.00 0.00 32.58 30.65 3i8e s HIS 1077CO 0.39 -0.85 0.45 0.95 -0.65 0.00 0.00 174.74 175.04 3i8e s THR 1078N 2.39 1.90 0.22 0.89 -4.23 -1.01 -4.87 115.64 110.93 3i8e s THR 1078Ca 0.09 -1.40 -0.09 0.00 -1.18 0.00 0.00 61.69 59.12 3i8e s THR 1078Cb -0.14 -2.30 0.18 0.00 1.34 0.00 0.00 72.50 71.58 3i8e s THR 1078CO -0.27 0.00 1.87 -0.08 -0.54 0.00 0.00 174.62 175.60 3i8e h GLU 1079N 0.73 1.14 -1.89 3.99 4.57 -2.00 -3.23 114.58 117.89 3i8e h GLU 1079Ca -0.37 -0.10 -0.72 0.00 -1.18 0.00 0.00 59.36 56.99 3i8e h GLU 1079Cb 1.29 -0.24 -0.31 0.00 -0.16 0.00 0.00 28.75 29.34 3i8e h GLU 1079CO 0.55 0.80 0.60 2.89 -1.18 0.00 0.00 179.01 182.67 3i8e n ARG 1080N -4.44 3.02 0.00 1.92 1.85 -1.26 -4.96 116.66 112.79 3i8e n ARG 1080Ca 0.09 -3.82 0.00 0.00 -1.00 0.00 0.00 57.85 53.11 3i8e n ARG 1080Cb 0.06 -2.27 0.00 0.00 -1.05 0.00 0.00 32.46 29.20 3i8e n ARG 1080CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 3i8e n LYS 1081N -0.50 0.00 -3.68 2.89 2.85 -1.22 -5.14 118.16 113.35 3i8e n LYS 1081Ca 0.50 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.66 3i8e n LYS 1081Cb 0.34 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.62 3i8e n LYS 1081CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3i8e s THR 1082N -2.00 -0.15 0.08 0.58 2.01 -1.26 -2.40 115.64 112.50 3i8e s THR 1082Ca 0.00 0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.15 3i8e s THR 1082Cb 0.00 -0.68 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 3i8e s THR 1082CO 0.00 0.04 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.20 3i8e s GLU 1083N 1.67 0.93 0.45 4.92 0.41 -0.87 -4.98 118.70 121.24 3i8e s GLU 1083Ca -0.08 -0.99 -0.22 0.00 -0.41 0.00 0.00 54.97 53.27 3i8e s GLU 1083Cb -0.09 -1.01 -0.08 0.00 -1.78 0.00 0.00 34.13 31.17 3i8e s GLU 1083CO -0.14 0.23 1.08 -1.25 -0.49 0.00 0.00 175.26 174.69 3i8e s PRO 1084N -1.70 3.89 0.10 0.39 0.04 -1.26 0.11 135.00 136.57 3i8e s PRO 1084Ca 0.01 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 3i8e s PRO 1084Cb -0.10 -2.33 -0.06 0.00 0.04 0.00 0.00 34.50 32.06 3i8e s PRO 1084CO 0.03 -0.39 1.05 0.00 0.04 0.00 0.00 177.00 177.73 3i8e s ALA 1085N -1.74 3.29 0.29 8.56 0.00 -1.26 -4.78 121.76 126.12 3i8e s ALA 1085Ca 0.63 0.69 0.10 0.00 0.00 0.00 0.00 51.96 53.38 3i8e s ALA 1085Cb -0.22 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 3i8e s ALA 1085CO 0.27 -0.19 -0.02 0.95 0.00 0.00 0.00 175.76 176.76 3i8e s THR 1086N 0.30 3.07 -1.53 0.00 -4.23 -1.20 -4.80 115.64 107.25 3i8e s THR 1086Ca 0.51 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 3i8e s THR 1086Cb -0.26 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 70.83 3i8e s THR 1086CO 0.31 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 3i8e n GLY 1087N -0.88 -0.44 2.96 3.99 0.00 -1.26 -2.90 105.19 106.67 3i8e n GLY 1087Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 3i8e n GLY 1087CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i8e s PHE 1088N -2.88 -0.44 -0.29 1.61 0.40 -1.25 -1.51 117.98 113.62 3i8e s PHE 1088Ca 0.00 0.85 0.00 0.00 -0.60 0.00 0.00 56.93 57.18 3i8e s PHE 1088Cb 0.00 -0.08 0.06 0.00 0.51 0.00 0.00 43.02 43.51 3i8e s PHE 1088CO 0.00 -0.43 -0.03 0.42 0.70 0.00 0.00 175.22 175.88 3i8e s ILE 1089N 2.42 2.70 -0.43 0.64 1.01 0.26 -4.97 121.20 122.83 3i8e s ILE 1089Ca 0.03 -1.54 -0.26 0.00 0.00 0.00 0.00 60.65 58.88 3i8e s ILE 1089Cb -0.13 -2.59 0.02 0.00 0.01 0.00 0.00 42.46 39.77 3i8e s ILE 1089CO -0.10 -0.13 0.95 1.51 0.00 0.00 0.00 174.94 177.18 3i8e s ASP 1090N 1.21 6.58 0.52 3.58 3.84 -1.26 -0.70 116.67 130.44 3i8e s ASP 1090Ca -0.05 0.33 0.35 0.00 -0.00 0.00 0.00 52.55 53.18 3i8e s ASP 1090Cb -0.20 -2.47 1.76 0.00 -1.38 0.00 0.00 42.92 40.63 3i8e s ASP 1090CO -0.03 -1.00 2.05 1.23 -0.00 0.00 0.00 175.17 177.42 3i8e h GLY 1091N 10.45 0.00 0.03 2.12 0.00 -1.36 -1.16 103.07 113.15 3i8e h GLY 1091Ca -0.24 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.20 3i8e h GLY 1091CO 1.02 0.00 -0.06 -0.55 0.00 0.00 0.00 176.54 176.95 3i8e h ASP 1092N 0.00 -0.34 0.51 0.19 5.19 -1.89 3.49 116.42 123.57 3i8e h ASP 1092Ca 0.00 0.14 -0.18 0.00 -0.62 0.00 0.00 57.03 56.37 3i8e h ASP 1092Cb 0.14 0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 3i8e h ASP 1092CO 0.00 -0.13 -0.80 0.25 -3.12 0.00 0.00 179.24 175.45 3i8e h LEU 1093N 0.06 0.27 -0.27 1.55 7.12 -1.60 -2.57 115.31 119.87 3i8e h LEU 1093Ca 0.27 -0.20 -0.06 0.00 0.13 0.00 0.00 57.88 58.01 3i8e h LEU 1093Cb 0.41 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.45 3i8e h LEU 1093CO -0.49 0.96 -0.07 0.40 -0.13 0.00 0.00 178.44 179.11 3i8e h ILE 1094N 0.13 1.28 0.00 4.05 1.08 -0.80 -2.02 117.51 121.23 3i8e h ILE 1094Ca -0.03 -1.09 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 3i8e h ILE 1094Cb 1.39 1.44 0.00 0.00 -3.07 0.00 0.00 36.82 36.58 3i8e h ILE 1094CO 0.12 0.34 0.00 -0.62 -0.69 0.00 0.00 178.15 177.31 3i8e n GLU 1095N -4.52 0.10 0.25 2.37 1.02 1.15 -1.66 120.64 119.35 3i8e n GLU 1095Ca -0.03 0.57 0.14 0.00 -0.02 0.00 0.00 57.16 57.81 3i8e n GLU 1095Cb 0.31 -1.81 0.59 0.00 -0.02 0.00 0.00 31.44 30.51 3i8e n GLU 1095CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3i8e h SER 1096N 0.00 0.00 0.26 1.62 0.87 -0.93 -3.22 113.55 112.14 3i8e h SER 1096Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3i8e h SER 1096Cb 0.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3i8e h SER 1096CO 0.00 0.11 -0.17 0.15 -0.53 0.00 0.00 176.83 176.38 3i8e h PHE 1097N 0.00 -0.45 0.00 2.24 3.57 -1.41 -3.13 116.94 117.75 3i8e h PHE 1097Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3i8e h PHE 1097Cb 0.61 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.51 3i8e h PHE 1097CO 0.00 -0.27 0.00 1.28 -2.23 0.00 0.00 178.31 177.09 3i8e n LEU 1098N -5.30 0.00 -2.28 0.59 4.77 -1.22 -1.50 117.00 112.07 3i8e n LEU 1098Ca -0.09 0.41 -0.28 0.00 -0.03 0.00 0.00 56.01 56.02 3i8e n LEU 1098Cb 0.21 -0.41 0.02 0.00 -2.33 0.00 0.00 43.42 40.92 3i8e n LEU 1098CO 0.33 -0.36 0.46 0.47 -1.33 0.00 0.00 177.39 176.96 3i8e n ASP 1099N -1.41 5.43 -4.46 -1.43 9.92 -1.18 -5.01 116.55 118.42 3i8e n ASP 1099Ca 0.01 -3.75 -0.30 0.00 -0.53 0.00 0.00 54.79 50.22 3i8e n ASP 1099Cb 0.03 -0.52 -0.12 0.00 -0.64 0.00 0.00 41.12 39.87 3i8e n ASP 1099CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3i8e s ILE 1100N -4.97 2.68 0.40 0.53 1.01 -0.56 -5.08 121.20 115.21 3i8e s ILE 1100Ca 0.52 -1.51 -0.26 0.00 0.00 0.00 0.00 60.65 59.39 3i8e s ILE 1100Cb 0.42 -2.20 -0.09 0.00 0.01 0.00 0.00 42.46 40.60 3i8e s ILE 1100CO -0.08 0.14 1.30 -0.94 0.00 0.00 0.00 174.94 175.36 3i8e s SER 1101N -1.99 6.36 0.31 3.58 1.04 -1.26 -4.85 113.70 116.88 3i8e s SER 1101Ca 0.16 2.66 0.04 0.00 0.48 0.00 0.00 55.95 59.29 3i8e s SER 1101Cb -0.10 -2.64 0.65 0.00 0.10 0.00 0.00 66.02 64.03 3i8e s SER 1101CO 0.08 -0.82 1.86 -0.09 0.98 0.00 0.00 173.24 175.26 3i8e h ARG 1102N 2.74 0.86 -0.63 4.02 2.43 -1.98 0.28 114.38 122.10 3i8e h ARG 1102Ca -0.50 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 58.67 3i8e h ARG 1102Cb 1.24 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.55 3i8e h ARG 1102CO 0.63 0.57 0.36 -1.00 -1.51 0.00 0.00 179.97 179.02 3i8e h PRO 1103N 0.89 0.67 -0.00 0.20 0.13 -2.01 -1.71 132.00 130.17 3i8e h PRO 1103Ca 0.46 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.55 3i8e h PRO 1103Cb 0.51 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.49 3i8e h PRO 1103CO -0.22 0.44 -0.08 1.63 -0.23 0.00 0.00 178.00 179.55 3i8e n LYS 1104N -4.77 0.82 0.01 0.86 5.02 -0.68 -3.64 118.16 115.79 3i8e n LYS 1104Ca 0.07 -0.26 -0.22 0.00 -2.02 0.00 0.00 58.31 55.88 3i8e n LYS 1104Cb 0.13 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.51 3i8e n LYS 1104CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 3i8e h MET 1105N 0.64 0.26 -0.31 1.97 4.05 -0.47 -3.35 114.93 117.72 3i8e h MET 1105Ca 0.00 -0.45 0.03 0.00 -0.28 0.00 0.00 59.70 59.01 3i8e h MET 1105Cb 0.32 0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.27 3i8e h MET 1105CO 0.00 1.21 0.21 1.96 0.23 0.00 0.00 176.91 180.52 3i8e h GLN 1106N -0.23 0.27 -0.44 0.39 1.08 -1.39 -2.70 115.11 112.09 3i8e h GLN 1106Ca -0.32 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 56.89 3i8e h GLN 1106Cb 1.82 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 29.16 3i8e h GLN 1106CO 0.07 0.18 0.24 0.93 -0.95 0.00 0.00 178.83 179.30 3i8e h GLU 1107N 0.28 0.47 -0.92 1.46 5.08 -1.69 -2.19 114.58 117.07 3i8e h GLU 1107Ca 0.13 -0.03 0.21 0.00 -1.00 0.00 0.00 59.36 58.67 3i8e h GLU 1107Cb 0.17 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 3i8e h GLU 1107CO -0.03 0.31 0.61 0.28 -1.00 0.00 0.00 179.01 179.18 3i8e h VAL 1108N 0.48 0.66 -3.27 3.13 2.07 -1.62 -3.33 116.25 114.37 3i8e h VAL 1108Ca 0.18 -0.14 -0.73 0.00 0.82 0.00 0.00 66.70 66.83 3i8e h VAL 1108Cb 0.05 0.22 -0.28 0.00 -1.52 0.00 0.00 31.29 29.76 3i8e h VAL 1108CO -0.11 0.07 -0.35 -0.69 0.02 0.00 0.00 177.57 176.51 3i8e s VAL 1109N -5.43 4.40 -0.00 2.57 1.01 -0.82 -4.71 120.40 117.42 3i8e s VAL 1109Ca -0.08 -1.76 0.01 0.00 0.00 0.00 0.00 61.98 60.14 3i8e s VAL 1109Cb 0.23 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 3i8e s VAL 1109CO 0.78 -0.80 0.01 0.00 0.00 0.00 0.00 175.10 175.09 3i8e n ALA 1110N 4.94 2.01 -3.62 5.51 0.00 -1.25 -4.95 120.51 123.15 3i8e n ALA 1110Ca -0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.29 3i8e n ALA 1110Cb 0.41 0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 3i8e n ALA 1110CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i8e s ASN 1111N -2.43 -0.12 0.00 0.00 4.22 -1.26 -5.09 114.94 110.26 3i8e s ASN 1111Ca -0.00 0.11 0.00 0.00 -2.14 0.00 0.00 52.86 50.83 3i8e s ASN 1111Cb 0.00 0.11 0.00 0.00 1.28 0.00 0.00 41.25 42.64 3i8e s ASN 1111CO 0.02 -0.13 0.00 -2.11 -2.04 0.00 0.00 177.10 172.84 3i8e n ARG 1122N 0.44 0.00 -3.88 3.55 1.85 -1.26 -4.61 116.66 112.76 3i8e n ARG 1122Ca -0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.76 3i8e n ARG 1122Cb 0.58 -0.24 -0.02 0.00 -1.05 0.00 0.00 32.46 31.73 3i8e n ARG 1122CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 3i8e s GLU 1123N -1.56 1.79 -0.13 2.89 2.12 -1.26 -5.17 118.70 117.38 3i8e s GLU 1123Ca 0.00 -1.07 -0.09 0.00 0.36 0.00 0.00 54.97 54.17 3i8e s GLU 1123Cb 0.00 0.59 0.04 0.00 0.26 0.00 0.00 34.13 35.02 3i8e s GLU 1123CO 0.00 -0.81 0.33 0.00 -0.54 0.00 0.00 175.26 174.24 3i8e s ALA 1124N -3.80 -0.82 0.00 6.30 0.00 -1.26 -5.15 121.76 117.03 3i8e s ALA 1124Ca 0.13 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.21 3i8e s ALA 1124Cb -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.39 3i8e s ALA 1124CO 0.08 -0.20 0.00 2.41 0.00 0.00 0.00 175.76 178.05 3i8e n THR 1125N 3.64 0.00 0.00 0.00 -1.04 -1.26 -4.98 114.28 110.64 3i8e n THR 1125Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 3i8e n THR 1125Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 3i8e n THR 1125CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i8e n ALA 1126N -3.00 0.00 -1.08 2.41 0.00 -1.26 -4.94 120.51 112.65 3i8e n ALA 1126Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3i8e n ALA 1126Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 3i8e n ALA 1126CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i8e n ASP 1127N 0.00 4.55 -0.06 0.00 5.68 -1.26 -4.07 116.55 121.39 3i8e n ASP 1127Ca 0.00 -3.32 -0.05 0.00 -0.50 0.00 0.00 54.79 50.91 3i8e n ASP 1127Cb 0.00 -0.78 -0.09 0.00 -1.14 0.00 0.00 41.12 39.11 3i8e n ASP 1127CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3i8e n ASP 1128N -0.42 2.12 -0.10 -1.12 4.64 -1.26 -4.48 116.55 115.93 3i8e n ASP 1128Ca 0.46 0.00 -0.11 0.00 -1.38 0.00 0.00 54.79 53.77 3i8e n ASP 1128Cb 1.48 0.81 0.02 0.00 -1.04 0.00 0.00 41.12 42.39 3i8e n ASP 1128CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 3i8e h LEU 1129N 0.00 0.90 -1.45 -2.67 -0.00 -1.98 -2.38 115.31 107.73 3i8e h LEU 1129Ca -0.31 -0.39 0.09 0.00 -0.00 0.00 0.00 57.88 57.28 3i8e h LEU 1129Cb 1.69 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 42.09 3i8e h LEU 1129CO 0.02 1.15 0.66 -0.29 -0.00 0.00 0.00 178.44 179.97 3i8e h ILE 1130N 0.71 0.11 0.01 1.22 2.10 -1.79 0.13 117.51 120.00 3i8e h ILE 1130Ca 0.07 0.00 -0.35 0.00 1.08 0.00 0.00 64.86 65.66 3i8e h ILE 1130Cb 0.91 0.41 -0.06 0.00 -1.09 0.00 0.00 36.82 36.99 3i8e h ILE 1130CO 0.08 0.00 -2.18 1.17 -1.08 0.00 0.00 178.15 176.14 3i8e n LYS 1131N -3.14 0.67 -0.16 2.19 4.81 -0.93 -3.64 118.16 117.96 3i8e n LYS 1131Ca 0.06 0.11 -0.11 0.00 -0.87 0.00 0.00 58.31 57.50 3i8e n LYS 1131Cb 0.79 -1.61 -0.00 0.00 0.02 0.00 0.00 35.03 34.22 3i8e n LYS 1131CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3i8e h VAL 1132N 0.00 1.27 0.00 3.15 2.07 -0.45 -1.98 116.25 120.32 3i8e h VAL 1132Ca -0.47 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 65.82 3i8e h VAL 1132Cb 2.14 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 3i8e h VAL 1132CO 0.04 0.43 0.00 0.58 0.02 0.00 0.00 177.57 178.63 3i8e h VAL 1133N 0.75 0.00 0.33 2.57 2.07 -1.25 -2.63 116.25 118.09 3i8e h VAL 1133Ca 0.12 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3i8e h VAL 1133Cb 0.66 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3i8e h VAL 1133CO 0.05 0.00 -0.16 -0.33 0.02 0.00 0.00 177.57 177.15 3i8e h GLU 1134N 0.00 -0.43 0.00 1.57 5.08 -1.45 -3.10 114.58 116.25 3i8e h GLU 1134Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3i8e h GLU 1134Cb 0.39 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3i8e h GLU 1134CO 0.00 -0.13 0.01 0.39 -1.00 0.00 0.00 179.01 178.29 3i8e n GLU 1135N -5.09 0.00 -0.08 2.33 1.02 -0.88 -1.52 120.64 116.42 3i8e n GLU 1135Ca -0.08 0.28 -0.22 0.00 -0.02 0.00 0.00 57.16 57.12 3i8e n GLU 1135Cb 0.26 -1.51 -0.12 0.00 -0.02 0.00 0.00 31.44 30.04 3i8e n GLU 1135CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i8e n LEU 1136N -1.27 2.41 -0.45 -4.62 4.77 -1.10 -4.15 117.00 112.58 3i8e n LEU 1136Ca 0.00 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3i8e n LEU 1136Cb 0.01 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 3i8e n LEU 1136CO 0.00 0.68 0.10 0.35 -1.33 0.00 0.00 177.39 177.20 3i8e n THR 1137N -3.80 0.00 -1.77 -5.08 -2.24 -0.58 -1.86 114.28 98.95 3i8e n THR 1137Ca -0.40 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.44 3i8e n THR 1137Cb 0.92 -0.20 0.14 0.00 -2.10 0.00 0.00 70.33 69.08 3i8e n THR 1137CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i8e n ARG 1138N 0.23 1.03 0.00 -0.78 1.74 -1.23 -4.60 116.66 113.05 3i8e n ARG 1138Ca 0.00 -2.70 0.12 0.00 -0.77 0.00 0.00 57.85 54.50 3i8e n ARG 1138Cb 0.08 -1.11 0.21 0.00 -1.02 0.00 0.00 32.46 30.62 3i8e n ARG 1138CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3i8e n ILE 1139N -0.68 0.00 -1.74 0.55 5.41 -0.78 -4.96 119.36 117.16 3i8e n ILE 1139Ca 0.14 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.78 3i8e n ILE 1139Cb 0.80 0.60 0.00 0.00 -0.71 0.00 0.00 39.64 40.33 3i8e n ILE 1139CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55