#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7n s SER 2 N 0.00 5.40 -0.35 3.17 0.15 -1.24 -5.11 113.70 115.72 3i7n s SER 2 Ca 0.00 0.13 -0.01 0.00 0.70 0.00 0.00 55.95 56.77 3i7n s SER 2 Cb 0.00 -1.52 0.13 0.00 -1.71 0.00 0.00 66.02 62.92 3i7n s SER 2 CO 0.00 0.33 0.18 -0.31 1.20 0.00 0.00 173.24 174.64 3i7n s TYR 3 N -1.02 0.93 0.31 3.44 2.02 -1.26 -4.14 117.35 117.63 3i7n s TYR 3 Ca 0.17 -1.59 0.10 0.00 -0.37 0.00 0.00 57.07 55.38 3i7n s TYR 3 Cb -0.12 -1.15 -0.06 0.00 -0.40 0.00 0.00 41.96 40.23 3i7n s TYR 3 CO 0.07 -0.83 -0.13 -0.80 -1.57 0.00 0.00 175.55 172.30 3i7n s ASN 4 N 1.25 3.48 -0.05 2.29 0.01 0.55 -1.14 114.94 121.34 3i7n s ASN 4 Ca 0.15 -1.13 0.02 0.00 -0.71 0.00 0.00 52.86 51.19 3i7n s ASN 4 Cb -0.21 -0.30 0.01 0.00 0.41 0.00 0.00 41.25 41.17 3i7n s ASN 4 CO -0.11 -0.14 -0.09 -0.47 -1.51 0.00 0.00 177.10 174.78 3i7n s TYR 5 N -2.65 1.10 -0.08 2.20 5.04 -0.59 -0.58 117.35 121.78 3i7n s TYR 5 Ca 0.31 -0.35 0.02 0.00 -2.44 0.00 0.00 57.07 54.62 3i7n s TYR 5 Cb -0.00 -0.83 0.01 0.00 0.35 0.00 0.00 41.96 41.49 3i7n s TYR 5 CO 0.15 -0.19 -0.15 0.14 -1.34 0.00 0.00 175.55 174.15 3i7n s VAL 6 N 0.59 1.41 0.14 3.14 -7.23 0.12 -1.03 120.40 117.53 3i7n s VAL 6 Ca -0.10 -0.62 0.08 0.00 -1.81 0.00 0.00 61.98 59.52 3i7n s VAL 6 Cb -0.13 -1.27 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 3i7n s VAL 6 CO 0.02 0.42 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.35 3i7n s VAL 7 N 0.69 1.71 -0.03 1.32 1.01 -0.88 -1.48 120.40 122.74 3i7n s VAL 7 Ca -0.13 -1.77 -0.29 0.00 0.00 0.00 0.00 61.98 59.78 3i7n s VAL 7 Cb -0.16 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 3i7n s VAL 7 CO 0.03 -0.25 0.96 -0.89 0.00 0.00 0.00 175.10 174.95 3i7n s THR 8 N -1.79 4.87 -0.15 3.92 2.01 -1.26 -0.58 115.64 122.66 3i7n s THR 8 Ca 0.12 2.00 0.05 0.00 0.31 0.00 0.00 61.69 64.16 3i7n s THR 8 Cb -0.07 -4.29 -0.23 0.00 0.01 0.00 0.00 72.50 67.92 3i7n s THR 8 CO 0.05 0.14 0.24 0.00 -0.69 0.00 0.00 174.62 174.36 3i7n n ALA 9 N 4.09 1.28 -3.72 7.40 0.00 0.87 -4.92 120.51 125.51 3i7n n ALA 9 Ca 0.06 -0.90 -0.18 0.00 0.00 0.00 0.00 53.44 52.42 3i7n n ALA 9 Cb 0.51 -0.49 -0.17 0.00 0.00 0.00 0.00 19.45 19.30 3i7n n ALA 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3i7n s GLN 10 N -2.55 0.10 0.81 0.00 2.00 -0.17 -4.96 119.66 114.89 3i7n s GLN 10 Ca -0.19 0.23 -0.12 0.00 -2.00 0.00 0.00 55.36 53.28 3i7n s GLN 10 Cb 0.07 -0.49 0.09 0.00 0.80 0.00 0.00 33.01 33.48 3i7n s GLN 10 CO 0.75 -0.24 1.16 0.15 -0.50 0.00 0.00 175.29 176.61 3i7n s LYS 11 N 1.60 1.70 0.39 1.67 1.02 -1.26 -2.03 119.74 122.82 3i7n s LYS 11 Ca -0.02 1.56 -0.27 0.00 0.02 0.00 0.00 55.97 57.26 3i7n s LYS 11 Cb -0.13 -1.80 -0.11 0.00 -0.52 0.00 0.00 37.83 35.27 3i7n s LYS 11 CO -0.03 -2.13 1.36 -2.30 -0.92 0.00 0.00 175.35 171.33 3i7n n PRO 12 N -3.49 2.24 0.00 -1.68 -0.02 -1.26 -4.18 135.00 126.61 3i7n n PRO 12 Ca 0.12 0.79 0.01 0.00 -2.02 0.00 0.00 63.50 62.40 3i7n n PRO 12 Cb 0.51 -2.48 -0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3i7n n PRO 12 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i7n n THR 13 N 0.14 0.00 -1.56 3.45 -2.24 -0.69 -4.85 114.28 108.53 3i7n n THR 13 Ca 0.04 -0.49 -0.31 0.00 -2.27 0.00 0.00 64.05 61.03 3i7n n THR 13 Cb 0.38 1.01 0.05 0.00 -2.10 0.00 0.00 70.33 69.68 3i7n n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7n s ALA 14 N -0.65 2.61 -0.18 6.98 0.00 0.34 -4.63 121.76 126.24 3i7n s ALA 14 Ca 0.01 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.13 3i7n s ALA 14 Cb 0.01 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.96 3i7n s ALA 14 CO 0.03 -1.28 -0.13 0.08 0.00 0.00 0.00 175.76 174.46 3i7n s VAL 15 N -2.96 1.69 -0.20 0.00 1.01 -0.71 -4.44 120.40 114.79 3i7n s VAL 15 Ca 0.59 -0.87 0.17 0.00 0.00 0.00 0.00 61.98 61.87 3i7n s VAL 15 Cb -0.15 -1.66 -0.24 0.00 0.00 0.00 0.00 36.38 34.33 3i7n s VAL 15 CO 0.53 0.33 0.07 0.59 0.00 0.00 0.00 175.10 176.63 3i7n n ASN 16 N 4.70 0.16 -3.63 3.32 3.02 0.08 -4.26 115.26 118.65 3i7n n ASN 16 Ca -0.16 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.24 3i7n n ASN 16 Cb 0.48 0.87 -0.07 0.00 -0.61 0.00 0.00 39.78 40.46 3i7n n ASN 16 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3i7n s GLY 17 N -5.55 -0.38 -0.13 7.41 0.00 -0.87 -4.84 107.32 102.96 3i7n s GLY 17 Ca -0.12 0.77 -0.11 0.00 0.00 0.00 0.00 44.72 45.26 3i7n s GLY 17 CO 0.81 0.48 0.35 0.00 0.00 0.00 0.00 173.10 174.74 3i7n s VAL 19 N 0.34 0.03 0.03 0.00 0.11 0.40 -4.89 120.40 116.42 3i7n s VAL 19 Ca -0.01 -0.24 0.02 0.00 -2.93 0.00 0.00 61.98 58.82 3i7n s VAL 19 Cb -0.03 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 3i7n s VAL 19 CO -0.01 -0.13 0.04 0.28 -3.33 0.00 0.00 175.10 171.94 3i7n s THR 20 N -0.42 4.35 -3.66 5.04 -1.32 -1.26 -0.51 115.64 117.86 3i7n s THR 20 Ca -0.05 -0.65 0.00 0.00 -1.21 0.00 0.00 61.69 59.78 3i7n s THR 20 Cb -0.03 -3.00 0.00 0.00 -1.51 0.00 0.00 72.50 67.95 3i7n s THR 20 CO 0.01 0.28 0.00 0.61 -2.21 0.00 0.00 174.62 173.31 3i7n n GLY 21 N 1.02 -1.17 3.07 6.08 0.00 -0.77 -4.90 105.19 108.51 3i7n n GLY 21 Ca -0.12 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 3i7n n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i7n s HIS 22 N -3.00 3.62 -0.03 1.61 3.76 -1.26 -0.14 115.29 119.85 3i7n s HIS 22 Ca 0.00 -2.96 0.11 0.00 -0.15 0.00 0.00 55.06 52.06 3i7n s HIS 22 Cb 0.00 -3.13 -0.17 0.00 1.11 0.00 0.00 32.58 30.39 3i7n s HIS 22 CO 0.00 -0.75 0.21 0.34 -0.85 0.00 0.00 174.74 173.69 3i7n n PHE 23 N 2.77 0.00 -0.03 1.40 7.35 -1.26 -1.73 117.46 125.95 3i7n n PHE 23 Ca 0.15 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.63 3i7n n PHE 23 Cb 0.37 -0.31 -0.13 0.00 0.35 0.00 0.00 39.48 39.76 3i7n n PHE 23 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 3i7n n THR 24 N -1.99 1.70 -3.55 -2.13 -1.04 -1.26 -4.25 114.28 101.77 3i7n n THR 24 Ca -0.05 -0.58 -0.12 0.00 -2.04 0.00 0.00 64.05 61.26 3i7n n THR 24 Cb 0.40 -1.70 -0.04 0.00 -1.82 0.00 0.00 70.33 67.17 3i7n n THR 24 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3i7n s SER 25 N -6.94 -0.39 0.50 8.00 0.01 -1.26 -4.99 113.70 108.64 3i7n s SER 25 Ca -0.26 -0.12 0.21 0.00 1.31 0.00 0.00 55.95 57.09 3i7n s SER 25 Cb 0.07 0.52 1.31 0.00 0.21 0.00 0.00 66.02 68.14 3i7n s SER 25 CO 0.72 -0.87 2.09 0.00 0.41 0.00 0.00 173.24 175.58 3i7n h ALA 26 N 2.31 1.60 -3.48 1.44 0.00 -1.83 -3.10 119.26 116.20 3i7n h ALA 26 Ca -0.33 -0.10 -0.65 0.00 0.00 0.00 0.00 54.91 53.83 3i7n h ALA 26 Cb 1.27 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.64 3i7n h ALA 26 CO 0.43 0.13 -0.65 -1.21 0.00 0.00 0.00 179.25 177.95 3i7n s GLU 27 N -4.58 1.83 -0.28 0.00 8.01 -1.26 -4.93 118.70 117.48 3i7n s GLU 27 Ca -0.04 -2.35 -0.26 0.00 0.01 0.00 0.00 54.97 52.33 3i7n s GLU 27 Cb 0.15 -3.30 0.17 0.00 -4.31 0.00 0.00 34.13 26.84 3i7n s GLU 27 CO 0.64 -1.05 1.32 -0.51 0.01 0.00 0.00 175.26 175.66 3i7n s ASP 28 N 0.19 -0.15 -0.19 -0.19 1.11 -1.17 -5.06 116.67 111.21 3i7n s ASP 28 Ca 0.15 0.27 -0.03 0.00 0.18 0.00 0.00 52.55 53.11 3i7n s ASP 28 Cb -0.23 0.26 -0.01 0.00 1.07 0.00 0.00 42.92 44.00 3i7n s ASP 28 CO -0.03 -0.07 -0.07 -0.22 1.18 0.00 0.00 175.17 175.97 3i7n s LEU 29 N -0.16 2.90 0.10 1.23 2.96 -1.26 -4.15 118.68 120.29 3i7n s LEU 29 Ca 0.06 -0.34 0.08 0.00 -0.22 0.00 0.00 54.13 53.72 3i7n s LEU 29 Cb -0.04 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3i7n s LEU 29 CO -0.12 0.06 -0.15 0.20 -1.32 0.00 0.00 176.35 175.02 3i7n s ASN 30 N 1.01 4.07 -0.20 3.68 0.01 0.80 -1.01 114.94 123.30 3i7n s ASN 30 Ca -0.00 -0.47 0.01 0.00 -0.71 0.00 0.00 52.86 51.69 3i7n s ASN 30 Cb -0.15 -0.67 0.02 0.00 0.41 0.00 0.00 41.25 40.87 3i7n s ASN 30 CO -0.00 0.19 -0.16 -0.22 -1.51 0.00 0.00 177.10 175.40 3i7n s LEU 31 N -2.05 2.48 -0.26 0.60 2.96 -1.05 -1.85 118.68 119.50 3i7n s LEU 31 Ca 0.19 -0.75 -0.17 0.00 -0.22 0.00 0.00 54.13 53.17 3i7n s LEU 31 Cb -0.11 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 3i7n s LEU 31 CO 0.11 -0.04 0.49 -0.76 -1.32 0.00 0.00 176.35 174.83 3i7n s LEU 32 N 1.28 4.06 -0.17 -0.68 1.02 0.33 -1.00 118.68 123.52 3i7n s LEU 32 Ca 0.03 0.46 -0.03 0.00 0.02 0.00 0.00 54.13 54.62 3i7n s LEU 32 Cb -0.14 -2.62 -0.01 0.00 0.02 0.00 0.00 46.19 43.43 3i7n s LEU 32 CO -0.10 -0.27 -0.07 -0.63 0.02 0.00 0.00 176.35 175.29 3i7n s ILE 33 N 2.27 3.38 -0.35 -0.59 1.01 0.38 -0.45 121.20 126.85 3i7n s ILE 33 Ca 0.20 -0.52 -0.14 0.00 0.00 0.00 0.00 60.65 60.19 3i7n s ILE 33 Cb -0.16 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 3i7n s ILE 33 CO 0.09 0.48 0.30 0.00 0.00 0.00 0.00 174.94 175.81 3i7n s ALA 34 N 0.82 3.50 0.00 9.38 0.00 0.30 0.51 121.76 136.26 3i7n s ALA 34 Ca -0.02 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.59 3i7n s ALA 34 Cb -0.15 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.21 3i7n s ALA 34 CO 0.01 -1.08 0.00 1.63 0.00 0.00 0.00 175.76 176.32 3i7n n LYS 35 N 5.24 0.00 -0.01 0.00 4.76 0.21 -0.74 118.16 127.62 3i7n n LYS 35 Ca -0.11 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.32 3i7n n LYS 35 Cb 0.49 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.68 3i7n n LYS 35 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3i7n n ASN 36 N 0.00 0.47 -0.85 4.39 5.15 -1.26 -3.95 115.26 119.21 3i7n n ASN 36 Ca 0.00 0.07 0.04 0.00 -0.60 0.00 0.00 54.58 54.10 3i7n n ASN 36 Cb 0.00 -0.34 0.22 0.00 -0.53 0.00 0.00 39.78 39.13 3i7n n ASN 36 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3i7n n THR 37 N -2.96 2.32 -3.93 -0.44 -2.24 -1.26 -0.82 114.28 104.95 3i7n n THR 37 Ca -0.02 -2.28 -0.22 0.00 -2.27 0.00 0.00 64.05 59.26 3i7n n THR 37 Cb 0.08 -0.28 -0.17 0.00 -2.10 0.00 0.00 70.33 67.86 3i7n n THR 37 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i7n s ARG 38 N -3.00 0.81 -0.14 -0.78 1.81 -1.26 -0.78 118.95 115.61 3i7n s ARG 38 Ca 0.41 -0.02 -0.05 0.00 -1.72 0.00 0.00 55.73 54.36 3i7n s ARG 38 Cb 0.36 -1.00 -0.04 0.00 -0.45 0.00 0.00 34.95 33.82 3i7n s ARG 38 CO 0.04 -0.22 0.03 -1.17 -0.68 0.00 0.00 175.30 173.31 3i7n s LEU 39 N 1.55 3.67 -0.12 2.53 2.96 0.41 -0.62 118.68 129.06 3i7n s LEU 39 Ca -0.01 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 3i7n s LEU 39 Cb -0.13 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.69 3i7n s LEU 39 CO -0.04 0.26 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.47 3i7n s GLU 40 N -0.15 2.45 -0.16 1.98 2.02 0.18 -2.38 118.70 122.64 3i7n s GLU 40 Ca 0.06 -0.64 -0.02 0.00 0.02 0.00 0.00 54.97 54.38 3i7n s GLU 40 Cb -0.12 -2.05 -0.02 0.00 0.10 0.00 0.00 34.13 32.04 3i7n s GLU 40 CO 0.02 -0.06 -0.09 0.42 0.02 0.00 0.00 175.26 175.57 3i7n s ILE 41 N 0.96 3.35 0.26 -1.63 1.01 0.86 0.14 121.20 126.15 3i7n s ILE 41 Ca -0.06 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.10 3i7n s ILE 41 Cb -0.15 -2.45 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 3i7n s ILE 41 CO -0.02 0.49 -0.05 -0.31 0.00 0.00 0.00 174.94 175.06 3i7n s TYR 42 N 0.62 1.79 -0.17 3.97 1.51 -0.17 -1.97 117.35 122.94 3i7n s TYR 42 Ca -0.05 -0.77 -0.01 0.00 -1.01 0.00 0.00 57.07 55.23 3i7n s TYR 42 Cb -0.15 -1.02 -0.01 0.00 -0.11 0.00 0.00 41.96 40.68 3i7n s TYR 42 CO 0.03 0.17 -0.12 0.08 -1.11 0.00 0.00 175.55 174.60 3i7n s VAL 43 N -3.15 2.96 0.18 0.71 1.01 0.10 -2.54 120.40 119.67 3i7n s VAL 43 Ca 0.28 -0.66 -0.31 0.00 0.00 0.00 0.00 61.98 61.29 3i7n s VAL 43 Cb 0.04 -2.28 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 3i7n s VAL 43 CO 0.10 0.49 1.39 -0.69 0.00 0.00 0.00 175.10 176.40 3i7n s VAL 44 N 0.90 3.05 0.29 2.92 1.01 -0.18 0.88 120.40 129.26 3i7n s VAL 44 Ca -0.03 0.81 0.03 0.00 0.00 0.00 0.00 61.98 62.80 3i7n s VAL 44 Cb -0.15 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3i7n s VAL 44 CO -0.00 0.10 0.19 0.42 0.00 0.00 0.00 175.10 175.80 3i7n s THR 45 N 0.50 0.16 0.26 3.92 -4.23 0.61 -4.73 115.64 112.13 3i7n s THR 45 Ca 0.61 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.10 3i7n s THR 45 Cb -0.39 -2.50 0.24 0.00 1.34 0.00 0.00 72.50 71.19 3i7n s THR 45 CO 0.36 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 176.26 3i7n h ALA 46 N 2.27 1.30 0.00 3.99 0.00 -2.02 0.25 119.26 125.06 3i7n h ALA 46 Ca -0.31 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3i7n h ALA 46 Cb 1.24 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3i7n h ALA 46 CO 0.47 0.16 -0.07 1.49 0.00 0.00 0.00 179.25 181.31 3i7n h GLU 47 N 0.88 0.00 0.00 0.00 4.22 -1.99 -3.49 114.58 114.20 3i7n h GLU 47 Ca 0.43 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.87 3i7n h GLU 47 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3i7n h GLU 47 CO -0.25 0.07 0.00 0.41 -2.18 0.00 0.00 179.01 177.05 3i7n n GLY 48 N 0.19 0.75 3.54 1.92 0.00 0.08 -5.06 105.19 106.61 3i7n n GLY 48 Ca 0.01 -1.11 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 3i7n n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7n s LEU 49 N 0.00 4.47 -0.46 0.99 1.02 -1.26 0.22 118.68 123.66 3i7n s LEU 49 Ca 0.00 -0.35 -0.21 0.00 0.02 0.00 0.00 54.13 53.59 3i7n s LEU 49 Cb 0.00 -2.18 0.03 0.00 0.02 0.00 0.00 46.19 44.07 3i7n s LEU 49 CO 0.00 -0.24 0.70 -0.60 0.02 0.00 0.00 176.35 176.23 3i7n s ARG 50 N 1.78 3.29 0.34 1.70 3.52 0.25 -4.90 118.95 124.94 3i7n s ARG 50 Ca 0.07 -0.38 -0.29 0.00 -0.13 0.00 0.00 55.73 55.01 3i7n s ARG 50 Cb -0.17 -3.98 -0.11 0.00 -1.56 0.00 0.00 34.95 29.12 3i7n s ARG 50 CO 0.11 -1.12 1.52 -2.30 -0.81 0.00 0.00 175.30 172.70 3i7n n PRO 51 N 6.48 2.66 0.00 5.12 -0.02 -1.26 0.03 135.00 148.00 3i7n n PRO 51 Ca -0.01 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3i7n n PRO 51 Cb 0.47 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 3i7n n PRO 51 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3i7n n VAL 52 N 1.06 0.00 -3.68 -1.45 0.31 -0.83 -4.85 118.33 108.89 3i7n n VAL 52 Ca 0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.28 3i7n n VAL 52 Cb 0.38 -0.71 -0.09 0.00 -0.91 0.00 0.00 33.84 32.51 3i7n n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3i7n s LYS 53 N -1.80 0.51 -0.30 5.55 2.47 -1.04 -5.03 119.74 120.10 3i7n s LYS 53 Ca 0.00 0.94 -0.00 0.00 -1.56 0.00 0.00 55.97 55.35 3i7n s LYS 53 Cb 0.00 0.04 0.09 0.00 -1.46 0.00 0.00 37.83 36.50 3i7n s LYS 53 CO 0.00 -0.15 0.07 -2.00 0.16 0.00 0.00 175.35 173.43 3i7n s GLU 54 N 1.46 0.91 0.25 4.03 -6.30 -1.26 -0.10 118.70 117.69 3i7n s GLU 54 Ca -0.09 -1.15 0.06 0.00 -2.50 0.00 0.00 54.97 51.29 3i7n s GLU 54 Cb -0.07 -2.25 -0.03 0.00 0.00 0.00 0.00 34.13 31.78 3i7n s GLU 54 CO -0.15 -0.92 0.25 0.14 0.02 0.00 0.00 175.26 174.60 3i7n s VAL 55 N 1.50 4.63 0.03 3.70 -7.23 -1.00 -4.99 120.40 117.04 3i7n s VAL 55 Ca 0.08 -1.28 0.04 0.00 -1.81 0.00 0.00 61.98 59.01 3i7n s VAL 55 Cb -0.18 -3.52 -0.04 0.00 0.56 0.00 0.00 36.38 33.21 3i7n s VAL 55 CO -0.20 -0.34 -0.06 -0.83 -0.31 0.00 0.00 175.10 173.37 3i7n s GLY 56 N -3.89 1.79 0.34 2.32 0.00 -1.26 -0.44 107.32 106.17 3i7n s GLY 56 Ca 0.34 -1.06 0.09 0.00 0.00 0.00 0.00 44.72 44.08 3i7n s GLY 56 CO 0.26 -0.96 0.04 1.06 0.00 0.00 0.00 173.10 173.50 3i7n s MET 57 N -1.67 2.16 -0.63 2.90 -1.94 0.04 -4.68 119.30 115.48 3i7n s MET 57 Ca 0.19 -1.69 -0.04 0.00 -1.71 0.00 0.00 55.69 52.45 3i7n s MET 57 Cb -0.11 -2.00 0.13 0.00 2.01 0.00 0.00 34.83 34.86 3i7n s MET 57 CO 0.10 0.14 2.57 0.66 -0.01 0.00 0.00 175.02 178.48 3i7n n TYR 58 N -1.00 1.98 0.00 -0.03 4.01 -1.26 -4.81 117.16 116.05 3i7n n TYR 58 Ca -0.04 -2.11 0.00 0.00 -0.16 0.00 0.00 57.90 55.59 3i7n n TYR 58 Cb 0.62 -1.38 0.00 0.00 -0.31 0.00 0.00 39.34 38.27 3i7n n TYR 58 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i7n n GLY 59 N 0.66 0.78 3.62 2.72 0.00 -1.26 -4.60 105.19 107.12 3i7n n GLY 59 Ca 0.51 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 3i7n n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7n s LYS 60 N -2.00 4.07 -0.24 1.61 1.02 -1.26 -4.12 119.74 118.82 3i7n s LYS 60 Ca 0.00 0.22 -0.29 0.00 0.02 0.00 0.00 55.97 55.92 3i7n s LYS 60 Cb 0.00 -3.63 -0.03 0.00 -0.52 0.00 0.00 37.83 33.65 3i7n s LYS 60 CO 0.00 -0.27 1.86 0.42 -0.92 0.00 0.00 175.35 176.44 3i7n s ILE 61 N 2.04 3.39 -0.14 2.17 1.01 0.00 -1.05 121.20 128.62 3i7n s ILE 61 Ca 0.19 0.42 0.18 0.00 0.00 0.00 0.00 60.65 61.43 3i7n s ILE 61 Cb -0.16 -3.46 -0.24 0.00 0.01 0.00 0.00 42.46 38.61 3i7n s ILE 61 CO 0.09 -0.25 0.34 0.00 0.00 0.00 0.00 174.94 175.12 3i7n n ALA 62 N 9.89 1.82 -2.93 9.38 0.00 0.37 -4.92 120.51 134.13 3i7n n ALA 62 Ca 0.23 -0.98 -0.18 0.00 0.00 0.00 0.00 53.44 52.51 3i7n n ALA 62 Cb 0.45 -0.50 -0.15 0.00 0.00 0.00 0.00 19.45 19.26 3i7n n ALA 62 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i7n s VAL 63 N -2.77 0.56 -0.19 0.00 1.01 -0.78 -4.89 120.40 113.34 3i7n s VAL 63 Ca -0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 3i7n s VAL 63 Cb 0.08 -0.50 0.09 0.00 0.00 0.00 0.00 36.38 36.05 3i7n s VAL 63 CO 0.84 0.18 0.23 -0.32 0.00 0.00 0.00 175.10 176.03 3i7n s MET 64 N 0.08 0.18 0.01 2.72 0.00 -1.26 -2.24 119.30 118.79 3i7n s MET 64 Ca -0.01 0.32 0.01 0.00 0.00 0.00 0.00 55.69 56.01 3i7n s MET 64 Cb -0.06 -0.94 -0.01 0.00 0.00 0.00 0.00 34.83 33.83 3i7n s MET 64 CO -0.00 -0.58 -0.03 -1.21 0.00 0.00 0.00 175.02 173.21 3i7n s GLU 65 N 2.35 0.21 -0.06 4.11 0.41 -0.43 -4.89 118.70 120.39 3i7n s GLU 65 Ca 0.06 -0.21 -0.04 0.00 -0.41 0.00 0.00 54.97 54.38 3i7n s GLU 65 Cb -0.15 -0.13 -0.04 0.00 -1.78 0.00 0.00 34.13 32.03 3i7n s GLU 65 CO -0.11 0.03 0.11 -0.51 -0.49 0.00 0.00 175.26 174.29 3i7n s LEU 66 N -0.38 4.13 0.17 1.80 1.43 -1.26 0.02 118.68 124.59 3i7n s LEU 66 Ca -0.02 0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 53.25 3i7n s LEU 66 Cb -0.03 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 44.01 3i7n s LEU 66 CO -0.00 0.34 0.39 0.72 0.23 0.00 0.00 176.35 178.03 3i7n s PHE 67 N -1.11 0.11 -0.22 0.29 -0.12 -0.59 -4.98 117.98 111.36 3i7n s PHE 67 Ca 0.19 -0.46 -0.03 0.00 -0.05 0.00 0.00 56.93 56.58 3i7n s PHE 67 Cb -0.12 0.17 0.11 0.00 -0.63 0.00 0.00 43.02 42.55 3i7n s PHE 67 CO 0.09 -0.79 0.28 0.50 -0.05 0.00 0.00 175.22 175.25 3i7n s ARG 68 N -3.91 0.25 0.00 1.99 3.52 -1.26 -0.23 118.95 119.32 3i7n s ARG 68 Ca 0.12 0.31 0.00 0.00 -0.13 0.00 0.00 55.73 56.03 3i7n s ARG 68 Cb 0.01 -0.92 0.00 0.00 -1.56 0.00 0.00 34.95 32.48 3i7n s ARG 68 CO -0.03 -0.67 0.00 -2.30 -0.81 0.00 0.00 175.30 171.49 3i7n n PRO 69 N 5.34 0.22 -4.88 5.12 -0.02 -1.26 -4.88 135.00 134.64 3i7n n PRO 69 Ca -0.05 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.14 3i7n n PRO 69 Cb 0.50 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.83 3i7n n PRO 69 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3i7n s LYS 70 N 0.00 1.76 0.00 -0.52 -0.14 -1.26 -4.62 119.74 114.95 3i7n s LYS 70 Ca 0.00 -1.10 0.00 0.00 -1.36 0.00 0.00 55.97 53.51 3i7n s LYS 70 Cb 0.00 -1.93 0.00 0.00 -1.68 0.00 0.00 37.83 34.22 3i7n s LYS 70 CO 0.00 0.50 0.00 0.41 -0.76 0.00 0.00 175.35 175.50 3i7n n GLY 71 N 1.78 2.88 3.66 -3.33 0.00 -1.26 -4.97 105.19 103.95 3i7n n GLY 71 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3i7n n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7n s GLU 72 N -0.07 4.11 0.28 1.61 0.41 -1.26 -4.93 118.70 118.84 3i7n s GLU 72 Ca 0.00 2.29 0.05 0.00 -0.41 0.00 0.00 54.97 56.90 3i7n s GLU 72 Cb 0.00 -4.06 0.39 0.00 -1.78 0.00 0.00 34.13 28.68 3i7n s GLU 72 CO 0.00 -0.96 1.67 0.66 -0.49 0.00 0.00 175.26 176.14 3i7n h SER 73 N 10.16 0.32 -5.52 -0.19 4.64 -1.97 -3.46 113.55 117.53 3i7n h SER 73 Ca -0.42 -0.14 -0.21 0.00 -0.47 0.00 0.00 61.79 60.55 3i7n h SER 73 Cb 1.20 -0.09 -0.14 0.00 -0.31 0.00 0.00 62.40 63.05 3i7n h SER 73 CO 0.95 0.71 -0.58 -1.59 -0.87 0.00 0.00 176.83 175.46 3i7n s LYS 74 N -4.13 1.17 0.30 4.77 -2.85 -1.26 -4.52 119.74 113.22 3i7n s LYS 74 Ca -0.05 -1.55 -0.30 0.00 -1.00 0.00 0.00 55.97 53.07 3i7n s LYS 74 Cb 0.13 0.28 -0.11 0.00 -2.06 0.00 0.00 37.83 36.07 3i7n s LYS 74 CO 0.78 -0.39 1.59 -0.25 0.10 0.00 0.00 175.35 177.19 3i7n n ASP 75 N -0.24 3.90 -4.98 0.03 10.43 -0.71 -4.86 116.55 120.11 3i7n n ASP 75 Ca -0.00 1.16 -0.19 0.00 2.57 0.00 0.00 54.79 58.33 3i7n n ASP 75 Cb 0.65 -1.60 -0.00 0.00 1.84 0.00 0.00 41.12 42.01 3i7n n ASP 75 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3i7n s LEU 76 N -0.66 3.83 -0.11 0.64 1.43 0.68 -4.57 118.68 119.93 3i7n s LEU 76 Ca 0.63 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.46 3i7n s LEU 76 Cb -0.49 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.07 3i7n s LEU 76 CO 0.50 -0.54 -0.23 -0.22 0.23 0.00 0.00 176.35 176.09 3i7n s LEU 77 N -4.22 2.12 -0.22 1.79 2.96 0.13 -1.54 118.68 119.71 3i7n s LEU 77 Ca 0.48 -0.55 -0.10 0.00 -0.22 0.00 0.00 54.13 53.74 3i7n s LEU 77 Cb -0.09 -1.42 -0.05 0.00 0.50 0.00 0.00 46.19 45.13 3i7n s LEU 77 CO 0.31 0.15 0.13 0.12 -1.32 0.00 0.00 176.35 175.75 3i7n s PHE 78 N 0.39 3.30 -0.10 5.38 5.36 0.10 0.95 117.98 133.37 3i7n s PHE 78 Ca -0.17 0.17 -0.00 0.00 -0.96 0.00 0.00 56.93 55.96 3i7n s PHE 78 Cb -0.18 -2.21 0.02 0.00 -0.34 0.00 0.00 43.02 40.31 3i7n s PHE 78 CO 0.08 0.09 -0.06 0.42 -1.46 0.00 0.00 175.22 174.29 3i7n s ILE 79 N 0.85 0.90 -0.24 3.12 1.01 -0.61 -1.32 121.20 124.91 3i7n s ILE 79 Ca 0.07 -0.21 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 3i7n s ILE 79 Cb -0.13 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 3i7n s ILE 79 CO 0.03 0.34 0.11 -0.22 0.00 0.00 0.00 174.94 175.20 3i7n s LEU 80 N 1.70 3.76 0.62 2.97 2.96 -0.95 -1.01 118.68 128.74 3i7n s LEU 80 Ca 0.04 -0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 53.79 3i7n s LEU 80 Cb -0.13 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 3i7n s LEU 80 CO -0.07 0.03 1.03 -0.89 -1.32 0.00 0.00 176.35 175.13 3i7n s THR 81 N 1.27 4.61 -0.12 3.68 2.01 0.28 -0.48 115.64 126.89 3i7n s THR 81 Ca 0.06 0.83 0.30 0.00 0.31 0.00 0.00 61.69 63.19 3i7n s THR 81 Cb -0.14 -3.84 0.36 0.00 0.01 0.00 0.00 72.50 68.89 3i7n s THR 81 CO 0.05 -1.10 1.86 0.00 -0.69 0.00 0.00 174.62 174.74 3i7n h ALA 82 N -0.34 1.00 -0.46 7.40 0.00 -1.41 -1.16 119.26 124.30 3i7n h ALA 82 Ca -0.44 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 3i7n h ALA 82 Cb 1.20 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 3i7n h ALA 82 CO 0.62 0.00 0.10 1.63 0.00 0.00 0.00 179.25 181.61 3i7n n LYS 83 N -2.97 3.23 -1.25 0.00 5.02 -1.26 -4.87 118.16 116.05 3i7n n LYS 83 Ca 0.02 -2.11 -0.09 0.00 -2.02 0.00 0.00 58.31 54.11 3i7n n LYS 83 Cb 0.36 -1.97 -0.04 0.00 -0.02 0.00 0.00 35.03 33.36 3i7n n LYS 83 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i7n n TYR 84 N 0.18 0.00 -1.94 2.13 4.02 -0.44 -4.78 117.16 116.33 3i7n n TYR 84 Ca 0.24 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.70 3i7n n TYR 84 Cb 0.99 -1.85 -0.03 0.00 -0.02 0.00 0.00 39.34 38.43 3i7n n TYR 84 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3i7n s ASN 85 N -2.70 6.37 -0.10 7.72 -0.87 -1.25 -1.66 114.94 122.46 3i7n s ASN 85 Ca 0.00 2.03 -0.00 0.00 -1.57 0.00 0.00 52.86 53.31 3i7n s ASN 85 Cb 0.00 -2.53 -0.03 0.00 -0.02 0.00 0.00 41.25 38.67 3i7n s ASN 85 CO 0.00 -1.20 -0.07 0.00 -2.57 0.00 0.00 177.10 173.26 3i7n s ALA 86 N 5.07 2.95 0.25 0.60 0.00 -0.78 0.98 121.76 130.82 3i7n s ALA 86 Ca 0.78 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 51.77 3i7n s ALA 86 Cb -0.32 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 3i7n s ALA 86 CO 0.32 0.45 0.42 0.00 0.00 0.00 0.00 175.76 176.95 3i7n s ILE 88 N -3.97 0.62 0.10 0.00 1.01 -0.67 -1.58 121.20 116.72 3i7n s ILE 88 Ca 0.26 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.70 3i7n s ILE 88 Cb 0.01 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.86 3i7n s ILE 88 CO 0.10 0.21 -0.12 -0.76 0.00 0.00 0.00 174.94 174.37 3i7n s LEU 89 N 0.38 2.39 -0.02 2.97 1.43 0.27 -1.60 118.68 124.50 3i7n s LEU 89 Ca -0.05 -0.78 0.02 0.00 -1.03 0.00 0.00 54.13 52.28 3i7n s LEU 89 Cb -0.09 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 45.69 3i7n s LEU 89 CO 0.00 -0.19 -0.06 -0.70 0.23 0.00 0.00 176.35 175.64 3i7n s GLU 90 N -2.58 0.59 -0.31 1.70 2.12 -0.78 0.20 118.70 119.64 3i7n s GLU 90 Ca 0.06 -0.19 -0.23 0.00 0.36 0.00 0.00 54.97 54.97 3i7n s GLU 90 Cb -0.05 -0.59 -0.00 0.00 0.26 0.00 0.00 34.13 33.75 3i7n s GLU 90 CO 0.02 0.08 0.77 -0.47 -0.54 0.00 0.00 175.26 175.11 3i7n s TYR 91 N 0.15 3.20 -0.26 5.30 5.04 -1.26 -1.24 117.35 128.29 3i7n s TYR 91 Ca -0.02 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 55.40 3i7n s TYR 91 Cb -0.06 -3.19 0.04 0.00 0.35 0.00 0.00 41.96 39.11 3i7n s TYR 91 CO -0.00 -0.55 -0.08 0.21 -1.34 0.00 0.00 175.55 173.78 3i7n s LYS 92 N 2.91 2.52 -0.83 4.97 2.20 0.15 -4.96 119.74 126.70 3i7n s LYS 92 Ca 0.31 -1.18 -0.13 0.00 -0.36 0.00 0.00 55.97 54.61 3i7n s LYS 92 Cb -0.14 -2.95 0.22 0.00 -1.51 0.00 0.00 37.83 33.45 3i7n s LYS 92 CO 0.12 -0.50 0.76 -1.14 -0.36 0.00 0.00 175.35 174.24 3i7n s GLN 93 N 1.22 3.57 -0.23 4.03 0.74 -1.26 -0.63 119.66 127.09 3i7n s GLN 93 Ca -0.04 -2.51 -0.29 0.00 0.05 0.00 0.00 55.36 52.57 3i7n s GLN 93 Cb -0.18 -4.39 -0.32 0.00 1.10 0.00 0.00 33.01 29.22 3i7n s GLN 93 CO -0.05 -1.28 1.69 0.43 -0.55 0.00 0.00 175.29 175.53 3i7n n SER 94 N 3.87 1.42 0.00 6.67 7.64 0.92 -4.60 113.62 129.54 3i7n n SER 94 Ca 0.14 -2.55 0.00 0.00 1.01 0.00 0.00 58.87 57.47 3i7n n SER 94 Cb 0.46 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 3i7n n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i7n n GLY 95 N 4.90 -0.24 0.00 0.23 0.00 -1.26 -1.49 105.19 107.32 3i7n n GLY 95 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3i7n n GLY 95 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i7n n GLU 96 N 0.00 3.66 -4.01 1.61 0.00 -1.26 -5.03 120.64 115.61 3i7n n GLU 96 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.91 3i7n n GLU 96 Cb 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 31.44 30.77 3i7n n GLU 96 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 3i7n s SER 97 N -1.20 6.03 0.03 -1.84 0.01 -0.56 -5.13 113.70 111.05 3i7n s SER 97 Ca 0.00 0.02 0.05 0.00 1.31 0.00 0.00 55.95 57.33 3i7n s SER 97 Cb 0.00 -1.72 -0.02 0.00 0.21 0.00 0.00 66.02 64.49 3i7n s SER 97 CO 0.00 0.02 -0.14 0.27 0.41 0.00 0.00 173.24 173.80 3i7n s ILE 98 N -1.84 1.09 -0.13 1.44 -0.00 -1.26 -0.05 121.20 120.44 3i7n s ILE 98 Ca 0.33 -0.94 -0.11 0.00 -0.00 0.00 0.00 60.65 59.93 3i7n s ILE 98 Cb -0.10 -0.98 0.04 0.00 -0.00 0.00 0.00 42.46 41.41 3i7n s ILE 98 CO 0.27 0.04 0.35 -1.81 -0.00 0.00 0.00 174.94 173.78 3i7n s ASP 99 N -1.04 -0.37 -0.34 4.36 1.01 0.19 -4.95 116.67 115.52 3i7n s ASP 99 Ca 0.02 0.71 -0.10 0.00 0.71 0.00 0.00 52.55 53.89 3i7n s ASP 99 Cb -0.08 0.69 0.01 0.00 1.01 0.00 0.00 42.92 44.56 3i7n s ASP 99 CO 0.01 -0.13 0.17 -0.63 0.21 0.00 0.00 175.17 174.80 3i7n s ILE 100 N 0.45 4.54 -0.04 0.77 1.01 -1.26 0.31 121.20 126.98 3i7n s ILE 100 Ca -0.02 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 3i7n s ILE 100 Cb -0.04 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 3i7n s ILE 100 CO -0.02 -0.09 0.13 -0.51 0.00 0.00 0.00 174.94 174.44 3i7n s ILE 101 N 1.57 5.15 -0.39 2.92 2.07 -0.37 -4.91 121.20 127.24 3i7n s ILE 101 Ca 0.03 -0.14 -0.19 0.00 -1.41 0.00 0.00 60.65 58.94 3i7n s ILE 101 Cb -0.18 -3.33 0.01 0.00 0.13 0.00 0.00 42.46 39.09 3i7n s ILE 101 CO 0.06 0.44 0.56 -0.89 -1.91 0.00 0.00 174.94 173.20 3i7n s THR 102 N -1.17 4.95 -0.09 4.00 2.01 -1.26 -1.86 115.64 122.22 3i7n s THR 102 Ca 0.21 0.17 0.14 0.00 0.31 0.00 0.00 61.69 62.52 3i7n s THR 102 Cb -0.12 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 3i7n s THR 102 CO 0.12 -0.39 1.24 0.03 -0.69 0.00 0.00 174.62 174.93 3i7n h ARG 103 N 8.65 0.00 -2.85 4.92 2.47 -1.67 -3.47 114.38 122.43 3i7n h ARG 103 Ca -0.27 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.47 3i7n h ARG 103 Cb 1.11 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.31 3i7n h ARG 103 CO 0.82 0.56 0.27 0.00 0.56 0.00 0.00 179.97 182.18 3i7n s ALA 104 N -2.88 -1.60 -0.17 0.04 0.00 -1.25 -4.82 121.76 111.08 3i7n s ALA 104 Ca 0.01 0.49 -0.32 0.00 0.00 0.00 0.00 51.96 52.14 3i7n s ALA 104 Cb 0.08 0.79 0.14 0.00 0.00 0.00 0.00 23.12 24.14 3i7n s ALA 104 CO 0.78 -0.79 1.15 -3.38 0.00 0.00 0.00 175.76 173.51 3i7n s HIS 105 N -3.64 -0.19 0.00 0.00 -3.43 0.10 -1.67 115.29 106.45 3i7n s HIS 105 Ca 0.03 0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.50 3i7n s HIS 105 Cb -0.02 0.50 0.00 0.00 -1.43 0.00 0.00 32.58 31.64 3i7n s HIS 105 CO -0.10 -0.25 0.00 0.41 -2.00 0.00 0.00 174.74 172.80 3i7n n GLY 106 N 0.16 1.39 3.67 -1.38 0.00 -0.73 -4.04 105.19 104.26 3i7n n GLY 106 Ca -0.03 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 3i7n n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i7n s ASN 107 N 0.00 6.54 0.00 1.61 3.84 -1.26 -1.87 114.94 123.79 3i7n s ASN 107 Ca 0.00 0.65 0.18 0.00 0.21 0.00 0.00 52.86 53.89 3i7n s ASN 107 Cb 0.00 -2.28 0.49 0.00 -0.55 0.00 0.00 41.25 38.91 3i7n s ASN 107 CO 0.00 -0.15 1.41 1.33 -2.79 0.00 0.00 177.10 176.90 3i7n n VAL 108 N 4.46 0.95 -0.90 -5.21 0.24 -0.67 -4.98 118.33 112.22 3i7n n VAL 108 Ca -0.06 -0.97 -0.32 0.00 -2.04 0.00 0.00 64.34 60.95 3i7n n VAL 108 Cb 0.51 0.55 0.15 0.00 -1.47 0.00 0.00 33.84 33.57 3i7n n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i7n s GLN 109 N -1.03 1.35 -0.05 7.34 -2.07 -1.26 -5.03 119.66 118.91 3i7n s GLN 109 Ca 0.38 1.59 0.02 0.00 -1.82 0.00 0.00 55.36 55.53 3i7n s GLN 109 Cb 0.20 -1.76 0.01 0.00 -1.09 0.00 0.00 33.01 30.37 3i7n s GLN 109 CO 0.26 -2.40 -0.11 -0.51 -1.32 0.00 0.00 175.29 171.21 3i7n s ASP 110 N -2.55 1.58 0.29 12.60 1.01 -1.26 -5.03 116.67 123.31 3i7n s ASP 110 Ca 0.68 -0.26 0.03 0.00 0.71 0.00 0.00 52.55 53.72 3i7n s ASP 110 Cb -0.24 -0.63 0.70 0.00 1.01 0.00 0.00 42.92 43.76 3i7n s ASP 110 CO 0.55 0.05 1.70 -0.09 0.21 0.00 0.00 175.17 177.58 3i7n h ARG 111 N 6.76 0.39 -6.78 8.23 9.65 -2.03 -3.39 114.38 127.22 3i7n h ARG 111 Ca -0.33 -0.02 -0.51 0.00 -1.10 0.00 0.00 59.98 58.02 3i7n h ARG 111 Cb 1.18 -0.09 0.02 0.00 -1.39 0.00 0.00 29.97 29.69 3i7n h ARG 111 CO 0.48 0.26 0.52 0.42 2.80 0.00 0.00 179.97 184.45 3i7n s ILE 112 N -5.90 3.41 0.00 1.20 1.09 -1.26 -4.96 121.20 114.78 3i7n s ILE 112 Ca -0.12 1.35 0.00 0.00 -1.10 0.00 0.00 60.65 60.79 3i7n s ILE 112 Cb 0.25 -3.86 0.00 0.00 -1.06 0.00 0.00 42.46 37.79 3i7n s ILE 112 CO 0.78 0.29 0.00 0.61 -0.10 0.00 0.00 174.94 176.52 3i7n n GLY 113 N 1.41 3.30 3.53 6.18 0.00 -1.26 -5.04 105.19 113.32 3i7n n GLY 113 Ca 0.00 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 3i7n n GLY 113 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i7n s ARG 114 N -5.26 3.82 0.22 1.61 3.52 -1.26 -5.02 118.95 116.58 3i7n s ARG 114 Ca 0.00 -0.39 -0.32 0.00 -0.13 0.00 0.00 55.73 54.89 3i7n s ARG 114 Cb 0.00 -3.44 -0.12 0.00 -1.56 0.00 0.00 34.95 29.83 3i7n s ARG 114 CO 0.00 -0.11 1.71 -2.30 -0.81 0.00 0.00 175.30 173.79 3i7n n PRO 115 N 4.74 2.79 0.00 5.12 -0.02 -1.26 -2.96 135.00 143.41 3i7n n PRO 115 Ca -0.15 1.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3i7n n PRO 115 Cb 0.52 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 3i7n n PRO 115 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i7n n SER 116 N 3.69 0.00 -4.57 2.55 3.41 -1.04 -4.85 113.62 112.80 3i7n n SER 116 Ca 0.15 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.36 3i7n n SER 116 Cb 0.35 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.21 3i7n n SER 116 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3i7n s GLU 117 N 0.19 3.75 0.00 4.33 2.56 -1.26 -3.77 118.70 124.51 3i7n s GLU 117 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.97 54.70 3i7n s GLU 117 Cb 0.00 -3.74 0.00 0.00 2.00 0.00 0.00 34.13 32.39 3i7n s GLU 117 CO 0.00 -0.40 0.00 2.41 -0.56 0.00 0.00 175.26 176.71 3i7n n THR 118 N 5.18 0.00 -3.70 -1.70 -1.04 -1.26 -4.61 114.28 107.15 3i7n n THR 118 Ca -0.10 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.93 3i7n n THR 118 Cb 0.50 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.01 3i7n n THR 118 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i7n n GLY 119 N -2.28 -1.65 3.70 3.41 0.00 -1.25 -4.79 105.19 102.33 3i7n n GLY 119 Ca 0.00 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 3i7n n GLY 119 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i7n n ILE 120 N -1.30 2.73 -3.74 -0.61 5.41 -1.26 -4.79 119.36 115.80 3i7n n ILE 120 Ca 0.00 -0.50 -0.14 0.00 1.00 0.00 0.00 62.75 63.11 3i7n n ILE 120 Cb 0.07 -1.53 -0.15 0.00 -0.71 0.00 0.00 39.64 37.32 3i7n n ILE 120 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3i7n s ILE 121 N -1.23 -0.07 -0.15 1.39 1.01 -1.13 -5.00 121.20 116.02 3i7n s ILE 121 Ca 0.63 0.21 -0.00 0.00 0.00 0.00 0.00 60.65 61.48 3i7n s ILE 121 Cb -0.50 -0.22 0.03 0.00 0.01 0.00 0.00 42.46 41.78 3i7n s ILE 121 CO 0.57 0.09 -0.08 -0.83 0.00 0.00 0.00 174.94 174.68 3i7n s GLY 122 N 1.29 0.99 0.31 6.18 0.00 -1.26 -1.31 107.32 113.51 3i7n s GLY 122 Ca -0.08 -0.81 0.07 0.00 0.00 0.00 0.00 44.72 43.90 3i7n s GLY 122 CO -0.06 0.80 -0.05 -0.26 0.00 0.00 0.00 173.10 173.54 3i7n s ILE 123 N 1.60 1.74 -0.06 0.90 -4.36 0.54 -4.94 121.20 116.62 3i7n s ILE 123 Ca 0.02 -2.12 -0.02 0.00 -0.26 0.00 0.00 60.65 58.27 3i7n s ILE 123 Cb -0.14 -2.56 0.04 0.00 1.25 0.00 0.00 42.46 41.04 3i7n s ILE 123 CO -0.08 -0.23 0.11 -0.63 0.24 0.00 0.00 174.94 174.35 3i7n s ILE 124 N -2.94 -0.09 0.36 8.37 1.01 -1.26 0.18 121.20 126.82 3i7n s ILE 124 Ca 0.31 0.24 -0.28 0.00 0.00 0.00 0.00 60.65 60.92 3i7n s ILE 124 Cb 0.04 -0.20 -0.12 0.00 0.01 0.00 0.00 42.46 42.20 3i7n s ILE 124 CO 0.14 0.10 1.43 -0.67 0.00 0.00 0.00 174.94 175.94 3i7n n ASP 125 N 4.46 3.46 -0.23 3.58 2.03 -1.19 -4.82 116.55 123.84 3i7n n ASP 125 Ca -0.22 1.22 0.01 0.00 0.52 0.00 0.00 54.79 56.31 3i7n n ASP 125 Cb 0.51 -1.57 0.08 0.00 -0.72 0.00 0.00 41.12 39.42 3i7n n ASP 125 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3i7n h PRO 126 N 2.97 0.02 0.00 -0.67 0.11 -1.89 -1.26 132.00 131.28 3i7n h PRO 126 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i7n h PRO 126 Cb 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3i7n h PRO 126 CO 0.65 0.01 0.00 0.39 -0.21 0.00 0.00 178.00 178.84 3i7n n GLU 127 N -5.42 0.06 -1.60 1.05 1.02 -1.26 -4.87 120.64 109.62 3i7n n GLU 127 Ca 0.09 0.16 -0.08 0.00 -0.02 0.00 0.00 57.16 57.31 3i7n n GLU 127 Cb 0.36 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 3i7n n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i7n h ARG 129 N 0.00 0.00 0.00 0.00 2.47 -1.90 -3.43 114.38 111.53 3i7n h ARG 129 Ca -0.18 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 3i7n h ARG 129 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 3i7n h ARG 129 CO 0.24 0.26 0.30 0.00 0.56 0.00 0.00 179.97 181.33 3i7n n MET 130 N -3.74 0.95 -5.04 0.04 0.00 -1.26 -2.41 117.12 105.65 3i7n n MET 130 Ca -0.01 -1.89 -0.29 0.00 0.00 0.00 0.00 57.70 55.51 3i7n n MET 130 Cb 0.37 2.39 -0.16 0.00 0.00 0.00 0.00 33.22 35.81 3i7n n MET 130 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3i7n s ILE 131 N -2.17 1.75 -0.18 3.17 1.01 -0.51 -3.20 121.20 121.07 3i7n s ILE 131 Ca 0.15 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 3i7n s ILE 131 Cb -0.04 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 3i7n s ILE 131 CO 0.10 0.49 -0.03 -0.83 0.00 0.00 0.00 174.94 174.67 3i7n s GLY 132 N 0.07 1.69 0.11 6.18 0.00 0.13 -0.81 107.32 114.69 3i7n s GLY 132 Ca -0.07 -0.94 0.08 0.00 0.00 0.00 0.00 44.72 43.79 3i7n s GLY 132 CO 0.04 0.11 -0.12 1.08 0.00 0.00 0.00 173.10 174.21 3i7n s LEU 133 N 0.76 2.95 -0.39 0.66 1.02 -0.39 0.20 118.68 123.49 3i7n s LEU 133 Ca -0.01 -0.44 0.01 0.00 0.02 0.00 0.00 54.13 53.71 3i7n s LEU 133 Cb -0.14 -1.76 0.14 0.00 0.02 0.00 0.00 46.19 44.44 3i7n s LEU 133 CO 0.02 0.18 0.22 -0.60 0.02 0.00 0.00 176.35 176.18 3i7n s ARG 134 N -2.21 0.94 -0.12 1.70 3.00 -0.43 -2.32 118.95 119.51 3i7n s ARG 134 Ca 0.21 -1.66 0.07 0.00 -1.00 0.00 0.00 55.73 53.34 3i7n s ARG 134 Cb -0.11 -1.87 -0.24 0.00 0.00 0.00 0.00 34.95 32.73 3i7n s ARG 134 CO 0.13 -1.17 0.37 1.28 0.00 0.00 0.00 175.30 175.91 3i7n n LEU 135 N 3.83 1.49 -4.25 -0.88 7.99 -1.26 -2.82 117.00 121.11 3i7n n LEU 135 Ca 0.09 0.22 -0.15 0.00 -0.01 0.00 0.00 56.01 56.17 3i7n n LEU 135 Cb 0.36 -0.28 -0.10 0.00 -0.11 0.00 0.00 43.42 43.29 3i7n n LEU 135 CO 0.19 0.61 -0.41 -0.31 -1.51 0.00 0.00 177.39 175.96 3i7n s TYR 136 N -2.56 1.27 0.24 -1.77 1.51 -1.26 -2.51 117.35 112.27 3i7n s TYR 136 Ca -0.14 -0.73 -0.30 0.00 -1.01 0.00 0.00 57.07 54.89 3i7n s TYR 136 Cb 0.07 -0.65 -0.10 0.00 -0.11 0.00 0.00 41.96 41.18 3i7n s TYR 136 CO 0.78 0.09 1.37 -0.51 -1.11 0.00 0.00 175.55 176.18 3i7n s ASP 137 N -3.06 6.76 0.00 2.29 1.01 -1.15 -3.32 116.67 119.20 3i7n s ASP 137 Ca 0.15 2.58 0.00 0.00 0.71 0.00 0.00 52.55 55.99 3i7n s ASP 137 Cb 0.01 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.32 3i7n s ASP 137 CO 0.01 -0.61 0.00 0.61 0.21 0.00 0.00 175.17 175.39 3i7n n GLY 138 N 2.05 2.80 3.96 0.21 0.00 -1.26 -4.78 105.19 108.16 3i7n n GLY 138 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 3i7n n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7n s LEU 139 N 0.00 4.28 -0.17 0.99 1.43 -1.21 0.19 118.68 124.19 3i7n s LEU 139 Ca 0.00 0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 53.11 3i7n s LEU 139 Cb 0.00 -2.82 0.08 0.00 0.03 0.00 0.00 46.19 43.48 3i7n s LEU 139 CO 0.00 -0.06 0.19 0.12 0.23 0.00 0.00 176.35 176.83 3i7n s PHE 140 N -1.98 -0.19 -0.01 0.29 5.36 -0.89 -4.59 117.98 115.97 3i7n s PHE 140 Ca 0.34 0.25 -0.18 0.00 -0.96 0.00 0.00 56.93 56.38 3i7n s PHE 140 Cb -0.09 -0.38 -0.06 0.00 -0.34 0.00 0.00 43.02 42.16 3i7n s PHE 140 CO 0.29 -0.51 0.51 0.21 -1.46 0.00 0.00 175.22 174.26 3i7n s LYS 141 N 2.29 4.18 -0.11 10.12 2.47 -0.98 -0.88 119.74 136.83 3i7n s LYS 141 Ca 0.05 0.58 0.03 0.00 -1.56 0.00 0.00 55.97 55.07 3i7n s LYS 141 Cb -0.15 -3.30 0.01 0.00 -1.46 0.00 0.00 37.83 32.93 3i7n s LYS 141 CO -0.10 0.48 -0.19 0.08 0.16 0.00 0.00 175.35 175.78 3i7n s VAL 142 N -0.50 1.74 -0.38 4.02 1.01 0.13 -1.26 120.40 125.16 3i7n s VAL 142 Ca 0.27 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 3i7n s VAL 142 Cb -0.17 -1.55 0.07 0.00 0.00 0.00 0.00 36.38 34.73 3i7n s VAL 142 CO 0.15 0.49 0.18 -0.63 0.00 0.00 0.00 175.10 175.29 3i7n s ILE 143 N 0.70 3.80 -0.03 2.22 1.01 0.01 -1.85 121.20 127.06 3i7n s ILE 143 Ca -0.12 -1.45 -0.30 0.00 0.00 0.00 0.00 60.65 58.78 3i7n s ILE 143 Cb -0.16 -3.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 3i7n s ILE 143 CO 0.02 -0.41 1.48 -2.84 0.00 0.00 0.00 174.94 173.19 3i7n s PRO 144 N 1.35 4.24 -0.15 2.79 0.02 -1.26 -1.42 135.00 140.56 3i7n s PRO 144 Ca 0.02 2.03 -0.28 0.00 0.02 0.00 0.00 61.00 62.79 3i7n s PRO 144 Cb -0.22 -3.71 -0.01 0.00 0.02 0.00 0.00 34.50 30.59 3i7n s PRO 144 CO 0.01 -0.68 0.95 -0.51 -0.33 0.00 0.00 177.00 176.44 3i7n s LEU 145 N 2.99 4.19 0.21 -5.54 1.43 -1.01 -4.90 118.68 116.05 3i7n s LEU 145 Ca 0.66 1.37 -0.10 0.00 -1.03 0.00 0.00 54.13 55.04 3i7n s LEU 145 Cb -0.32 -3.44 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 3i7n s LEU 145 CO 0.26 -0.48 0.35 -1.81 0.23 0.00 0.00 176.35 174.91 3i7n s ASP 146 N 1.14 -0.01 0.24 2.29 1.11 -1.26 -4.81 116.67 115.37 3i7n s ASP 146 Ca 0.44 -0.98 0.00 0.00 0.18 0.00 0.00 52.55 52.19 3i7n s ASP 146 Cb -0.17 0.50 0.26 0.00 1.07 0.00 0.00 42.92 44.58 3i7n s ASP 146 CO 0.13 -1.00 1.61 -0.09 1.18 0.00 0.00 175.17 177.00 3i7n h ARG 147 N 2.42 0.48 0.00 8.23 1.12 -2.03 -3.40 114.38 121.20 3i7n h ARG 147 Ca -0.30 -0.25 0.00 0.00 -1.11 0.00 0.00 59.98 58.32 3i7n h ARG 147 Cb 1.24 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.21 3i7n h ARG 147 CO 0.43 0.82 0.00 -0.25 -3.11 0.00 0.00 179.97 177.86 3i7n n ASP 148 N -4.02 0.00 -3.31 -3.80 8.00 -1.26 -4.70 116.55 107.47 3i7n n ASP 148 Ca -0.02 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.25 3i7n n ASP 148 Cb 0.52 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.58 3i7n n ASP 148 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3i7n n ASN 149 N 0.00 -1.23 0.11 -2.24 2.85 -1.26 -4.72 115.26 108.77 3i7n n ASN 149 Ca 0.00 -0.53 0.09 0.00 -0.11 0.00 0.00 54.58 54.03 3i7n n ASN 149 Cb 0.00 -1.11 0.44 0.00 1.24 0.00 0.00 39.78 40.35 3i7n n ASN 149 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3i7n n LYS 150 N -2.87 0.12 -0.14 1.20 5.02 -1.26 -0.06 118.16 120.17 3i7n n LYS 150 Ca 0.06 0.51 0.09 0.00 -2.02 0.00 0.00 58.31 56.95 3i7n n LYS 150 Cb 0.37 -1.82 0.16 0.00 -0.02 0.00 0.00 35.03 33.72 3i7n n LYS 150 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i7n n GLU 151 N -2.06 2.10 -3.73 1.97 1.02 -1.26 -0.72 120.64 117.96 3i7n n GLU 151 Ca 0.00 -1.95 -0.31 0.00 -0.02 0.00 0.00 57.16 54.89 3i7n n GLU 151 Cb 0.10 -1.38 0.03 0.00 -0.02 0.00 0.00 31.44 30.17 3i7n n GLU 151 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i7n n LEU 152 N 1.04 -2.49 -4.80 -4.62 4.77 0.91 -4.01 117.00 107.80 3i7n n LEU 152 Ca 0.14 -0.98 -0.34 0.00 -0.03 0.00 0.00 56.01 54.80 3i7n n LEU 152 Cb 0.48 -2.18 -0.03 0.00 -2.33 0.00 0.00 43.42 39.36 3i7n n LEU 152 CO 0.12 0.38 0.72 -0.54 -1.33 0.00 0.00 177.39 176.73 3i7n s LYS 153 N -5.83 3.76 0.03 3.23 -0.14 -1.26 -4.83 119.74 114.70 3i7n s LYS 153 Ca 0.35 1.34 -0.15 0.00 -1.36 0.00 0.00 55.97 56.16 3i7n s LYS 153 Cb -0.15 -2.09 0.02 0.00 -1.68 0.00 0.00 37.83 33.94 3i7n s LYS 153 CO 0.88 -0.46 0.33 0.00 -0.76 0.00 0.00 175.35 175.34 3i7n s ALA 154 N -2.03 -0.77 0.17 5.17 0.00 -1.26 -4.26 121.76 118.78 3i7n s ALA 154 Ca 0.67 0.16 0.09 0.00 0.00 0.00 0.00 51.96 52.88 3i7n s ALA 154 Cb -0.16 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 3i7n s ALA 154 CO 0.21 -0.37 -0.11 -0.59 0.00 0.00 0.00 175.76 174.90 3i7n s PHE 155 N -2.17 2.62 -0.07 0.00 -0.12 -0.77 -4.91 117.98 112.56 3i7n s PHE 155 Ca -0.08 -0.22 -0.07 0.00 -0.05 0.00 0.00 56.93 56.51 3i7n s PHE 155 Cb -0.02 -1.30 -0.04 0.00 -0.63 0.00 0.00 43.02 41.03 3i7n s PHE 155 CO -0.01 0.50 0.19 -0.80 -0.05 0.00 0.00 175.22 175.05 3i7n s ASN 156 N -2.73 6.43 0.04 1.98 0.01 -1.26 0.17 114.94 119.58 3i7n s ASN 156 Ca 0.24 0.50 0.07 0.00 -0.71 0.00 0.00 52.86 52.96 3i7n s ASN 156 Cb -0.09 -2.07 -0.03 0.00 0.41 0.00 0.00 41.25 39.46 3i7n s ASN 156 CO 0.15 0.35 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.28 3i7n s ILE 157 N -1.13 2.79 0.14 0.60 1.01 -0.06 -4.94 121.20 119.61 3i7n s ILE 157 Ca 0.20 -1.20 -0.30 0.00 0.00 0.00 0.00 60.65 59.35 3i7n s ILE 157 Cb -0.13 -2.18 -0.08 0.00 0.01 0.00 0.00 42.46 40.09 3i7n s ILE 157 CO 0.09 0.33 1.25 -0.60 0.00 0.00 0.00 174.94 176.01 3i7n s ARG 158 N -1.46 4.43 -0.35 2.79 3.52 -1.26 -2.09 118.95 124.53 3i7n s ARG 158 Ca 0.15 1.91 -0.05 0.00 -0.13 0.00 0.00 55.73 57.61 3i7n s ARG 158 Cb -0.10 -3.26 0.06 0.00 -1.56 0.00 0.00 34.95 30.08 3i7n s ARG 158 CO 0.05 -0.22 0.11 -1.17 -0.81 0.00 0.00 175.30 173.26 3i7n s LEU 159 N 0.33 4.43 0.29 -0.88 0.20 0.50 -4.91 118.68 118.64 3i7n s LEU 159 Ca 0.57 -1.35 0.03 0.00 0.69 0.00 0.00 54.13 54.07 3i7n s LEU 159 Cb -0.33 -1.83 0.62 0.00 -0.43 0.00 0.00 46.19 44.22 3i7n s LEU 159 CO 0.34 -0.36 1.81 -0.08 -0.29 0.00 0.00 176.35 177.77 3i7n h GLU 160 N 8.15 0.87 -5.98 1.98 4.57 -1.94 -3.39 114.58 118.85 3i7n h GLU 160 Ca -0.21 -0.05 -0.61 0.00 -1.18 0.00 0.00 59.36 57.31 3i7n h GLU 160 Cb 1.07 -0.20 -0.12 0.00 -0.16 0.00 0.00 28.75 29.35 3i7n h GLU 160 CO 0.61 0.58 0.52 -1.21 -1.18 0.00 0.00 179.01 178.34 3i7n s GLU 161 N -5.92 3.44 0.00 1.92 8.01 -1.26 -4.91 118.70 119.98 3i7n s GLU 161 Ca -0.12 -0.03 0.22 0.00 0.01 0.00 0.00 54.97 55.05 3i7n s GLU 161 Cb 0.23 -3.97 1.26 0.00 -4.31 0.00 0.00 34.13 27.34 3i7n s GLU 161 CO 0.81 -1.28 1.71 1.28 0.01 0.00 0.00 175.26 177.78 3i7n n LEU 162 N 7.15 0.00 -3.11 1.80 4.77 -1.26 -4.36 117.00 121.99 3i7n n LEU 162 Ca 0.04 0.09 -0.19 0.00 -0.03 0.00 0.00 56.01 55.92 3i7n n LEU 162 Cb 0.48 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 3i7n n LEU 162 CO 0.63 -0.03 -0.15 1.57 -1.33 0.00 0.00 177.39 178.08 3i7n n HIS 163 N -1.09 -1.72 -3.31 -1.77 -0.00 -1.26 -4.60 115.22 101.46 3i7n n HIS 163 Ca 0.15 -2.76 -0.39 0.00 0.46 0.00 0.00 57.72 55.18 3i7n n HIS 163 Cb 0.11 0.53 -0.07 0.00 -0.12 0.00 0.00 29.99 30.44 3i7n n HIS 163 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 3i7n s VAL 164 N -0.05 5.15 -0.08 3.57 1.01 -1.26 -0.15 120.40 128.59 3i7n s VAL 164 Ca 0.33 0.86 -0.23 0.00 0.00 0.00 0.00 61.98 62.94 3i7n s VAL 164 Cb 0.10 -3.80 -0.19 0.00 0.00 0.00 0.00 36.38 32.50 3i7n s VAL 164 CO -0.15 0.22 0.85 0.40 0.00 0.00 0.00 175.10 176.42 3i7n h ILE 165 N 5.04 1.22 -3.12 2.22 5.03 -0.10 -3.43 117.51 124.37 3i7n h ILE 165 Ca -0.35 -1.54 -0.06 0.00 -0.12 0.00 0.00 64.86 62.79 3i7n h ILE 165 Cb 1.16 2.14 -0.14 0.00 -3.03 0.00 0.00 36.82 36.95 3i7n h ILE 165 CO 0.73 0.35 -0.02 -0.62 -0.68 0.00 0.00 178.15 177.91 3i7n s ASP 166 N -5.78 -0.33 -0.04 1.72 2.15 -1.21 -4.81 116.67 108.37 3i7n s ASP 166 Ca -0.14 -0.09 -0.11 0.00 0.43 0.00 0.00 52.55 52.63 3i7n s ASP 166 Cb -0.01 0.48 0.02 0.00 -0.30 0.00 0.00 42.92 43.11 3i7n s ASP 166 CO 0.55 -0.79 0.25 -0.69 -0.17 0.00 0.00 175.17 174.32 3i7n s VAL 167 N -3.18 0.05 0.06 1.11 1.01 -1.26 -1.72 120.40 116.47 3i7n s VAL 167 Ca -0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 3i7n s VAL 167 Cb 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 3i7n s VAL 167 CO -0.08 -0.21 0.02 -0.54 0.00 0.00 0.00 175.10 174.29 3i7n s LYS 168 N -0.88 0.66 -0.02 2.72 -0.14 -0.41 -4.96 119.74 116.71 3i7n s LYS 168 Ca -0.10 -1.16 -0.28 0.00 -1.36 0.00 0.00 55.97 53.08 3i7n s LYS 168 Cb -0.05 0.24 -0.03 0.00 -1.68 0.00 0.00 37.83 36.31 3i7n s LYS 168 CO 0.02 -0.15 0.90 -0.06 -0.76 0.00 0.00 175.35 175.31 3i7n s PHE 169 N -3.89 3.64 0.69 3.18 0.40 -1.26 0.29 117.98 121.03 3i7n s PHE 169 Ca 0.06 1.57 -0.13 0.00 -0.60 0.00 0.00 56.93 57.83 3i7n s PHE 169 Cb 0.07 -3.03 0.01 0.00 0.51 0.00 0.00 43.02 40.58 3i7n s PHE 169 CO -0.10 0.02 1.09 -0.51 0.70 0.00 0.00 175.22 176.42 3i7n s LEU 170 N 0.94 3.28 0.23 -0.37 1.43 -0.29 -4.82 118.68 119.09 3i7n s LEU 170 Ca 0.48 1.89 0.05 0.00 -1.03 0.00 0.00 54.13 55.52 3i7n s LEU 170 Cb -0.20 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.45 3i7n s LEU 170 CO 0.25 -1.66 0.30 -0.31 0.23 0.00 0.00 176.35 175.16 3i7n s TYR 171 N -2.58 3.35 -1.40 0.29 1.51 -1.26 -4.50 117.35 112.76 3i7n s TYR 171 Ca 0.64 -0.03 -0.08 0.00 -1.01 0.00 0.00 57.07 56.59 3i7n s TYR 171 Cb -0.18 -1.53 0.04 0.00 -0.11 0.00 0.00 41.96 40.18 3i7n s TYR 171 CO 0.46 0.47 0.97 0.41 -1.11 0.00 0.00 175.55 176.76 3i7n n GLY 172 N -1.25 -0.45 3.34 0.71 0.00 -1.26 -4.56 105.19 101.72 3i7n n GLY 172 Ca -0.09 0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3i7n n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7n h GLN 174 N 6.92 -0.28 -6.69 0.00 1.08 -1.97 -3.40 115.11 110.77 3i7n h GLN 174 Ca -0.28 0.02 -0.50 0.00 -1.45 0.00 0.00 58.65 56.44 3i7n h GLN 174 Cb 1.21 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.68 3i7n h GLN 174 CO 0.56 -0.19 0.37 0.00 -0.95 0.00 0.00 178.83 178.62 3i7n s ALA 175 N -3.85 3.31 -0.50 3.87 0.00 -1.26 -4.97 121.76 118.37 3i7n s ALA 175 Ca -0.05 0.63 -0.46 0.00 0.00 0.00 0.00 51.96 52.07 3i7n s ALA 175 Cb 0.01 -3.25 -0.20 0.00 0.00 0.00 0.00 23.12 19.68 3i7n s ALA 175 CO 0.15 0.09 1.65 -2.30 0.00 0.00 0.00 175.76 175.35 3i7n n PRO 176 N 1.96 0.00 -4.47 0.00 -0.02 -1.26 -4.74 135.00 126.48 3i7n n PRO 176 Ca -0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.27 3i7n n PRO 176 Cb 0.48 -1.49 -0.15 0.00 -0.02 0.00 0.00 33.50 32.31 3i7n n PRO 176 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i7n s THR 177 N 3.29 0.87 0.11 3.45 2.01 -1.26 0.23 115.64 124.33 3i7n s THR 177 Ca 1.06 -0.45 0.07 0.00 0.31 0.00 0.00 61.69 62.68 3i7n s THR 177 Cb -1.49 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 3i7n s THR 177 CO 0.80 0.25 -0.10 0.27 -0.69 0.00 0.00 174.62 175.16 3i7n s ILE 178 N -0.10 3.39 -0.07 1.82 -4.36 -0.40 -1.14 121.20 120.34 3i7n s ILE 178 Ca 0.02 -1.27 0.02 0.00 -0.26 0.00 0.00 60.65 59.16 3i7n s ILE 178 Cb -0.06 -2.59 0.01 0.00 1.25 0.00 0.00 42.46 41.07 3i7n s ILE 178 CO -0.00 0.10 -0.12 0.00 0.24 0.00 0.00 174.94 175.16 3i7n s PHE 180 N 0.68 0.20 -0.18 0.00 -0.12 -0.84 -1.29 117.98 116.43 3i7n s PHE 180 Ca -0.14 -0.47 -0.06 0.00 -0.05 0.00 0.00 56.93 56.21 3i7n s PHE 180 Cb -0.16 -0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.05 3i7n s PHE 180 CO 0.04 -0.32 0.02 0.08 -0.05 0.00 0.00 175.22 174.99 3i7n s VAL 181 N -2.26 4.35 0.14 -2.49 1.01 -0.70 -2.12 120.40 118.34 3i7n s VAL 181 Ca -0.08 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3i7n s VAL 181 Cb -0.03 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3i7n s VAL 181 CO -0.03 0.46 -0.01 -0.72 0.00 0.00 0.00 175.10 174.79 3i7n s TYR 182 N 0.56 1.07 -0.07 5.22 -0.85 -0.16 0.60 117.35 123.71 3i7n s TYR 182 Ca 0.01 -1.01 0.04 0.00 -0.52 0.00 0.00 57.07 55.59 3i7n s TYR 182 Cb -0.13 -0.61 -0.00 0.00 0.38 0.00 0.00 41.96 41.59 3i7n s TYR 182 CO 0.02 -0.23 -0.20 -1.14 -1.52 0.00 0.00 175.55 172.48 3i7n s GLN 183 N -3.91 2.33 0.00 -3.49 0.74 0.79 -1.81 119.66 114.31 3i7n s GLN 183 Ca 0.20 -0.72 0.00 0.00 0.05 0.00 0.00 55.36 54.89 3i7n s GLN 183 Cb 0.06 -1.90 0.00 0.00 1.10 0.00 0.00 33.01 32.28 3i7n s GLN 183 CO 0.01 0.22 0.00 -0.40 -0.55 0.00 0.00 175.29 174.57 3i7n n ASP 184 N 3.34 0.09 -4.81 6.67 5.68 -0.98 -4.43 116.55 122.11 3i7n n ASP 184 Ca -0.19 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 53.73 3i7n n ASP 184 Cb 0.52 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.44 3i7n n ASP 184 CO 0.00 0.00 0.00 -2.84 -1.33 0.00 0.00 177.20 173.03 3i7n s PRO 185 N 1.92 3.86 0.00 0.11 0.02 -1.26 -4.28 135.00 135.36 3i7n s PRO 185 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 61.00 61.04 3i7n s PRO 185 Cb 0.00 -3.29 0.00 0.00 0.02 0.00 0.00 34.50 31.23 3i7n s PRO 185 CO 0.00 0.55 0.00 0.00 -0.33 0.00 0.00 177.00 177.22 3i7n n GLN 186 N 2.58 0.00 0.00 5.54 10.64 -1.26 -5.02 117.38 129.86 3i7n n GLN 186 Ca -0.16 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.01 3i7n n GLN 186 Cb 0.53 -1.14 0.00 0.00 -0.86 0.00 0.00 30.24 28.77 3i7n n GLN 186 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3i7n n GLY 187 N -0.32 -1.86 3.68 2.61 0.00 -1.26 -5.04 105.19 102.99 3i7n n GLY 187 Ca 0.00 -1.79 -0.25 0.00 0.00 0.00 0.00 46.02 43.99 3i7n n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i7n s ARG 188 N 0.00 2.43 0.00 1.61 0.52 -1.26 -2.31 118.95 119.95 3i7n s ARG 188 Ca 0.00 -1.20 -0.14 0.00 -0.52 0.00 0.00 55.73 53.87 3i7n s ARG 188 Cb 0.00 -2.32 0.02 0.00 0.52 0.00 0.00 34.95 33.17 3i7n s ARG 188 CO 0.00 0.42 0.29 -1.01 0.02 0.00 0.00 175.30 175.02 3i7n s HIS 189 N -1.96 -0.13 -0.12 -0.53 3.76 -0.75 -1.85 115.29 113.71 3i7n s HIS 189 Ca 0.29 0.14 -0.02 0.00 -0.15 0.00 0.00 55.06 55.32 3i7n s HIS 189 Cb -0.08 0.08 -0.03 0.00 1.11 0.00 0.00 32.58 33.66 3i7n s HIS 189 CO 0.20 -0.41 -0.05 0.54 -0.85 0.00 0.00 174.74 174.16 3i7n s VAL 190 N -1.66 3.77 0.04 -0.90 0.11 -0.80 -0.99 120.40 119.97 3i7n s VAL 190 Ca -0.11 -0.42 -0.16 0.00 -2.93 0.00 0.00 61.98 58.35 3i7n s VAL 190 Cb -0.04 -2.60 0.03 0.00 -1.53 0.00 0.00 36.38 32.23 3i7n s VAL 190 CO 0.02 0.54 0.36 -0.75 -3.33 0.00 0.00 175.10 171.94 3i7n s LYS 191 N -0.16 0.86 0.06 1.54 2.20 -0.90 -2.20 119.74 121.14 3i7n s LYS 191 Ca 0.02 -0.42 0.03 0.00 -0.36 0.00 0.00 55.97 55.25 3i7n s LYS 191 Cb -0.13 0.38 -0.03 0.00 -1.51 0.00 0.00 37.83 36.54 3i7n s LYS 191 CO 0.03 -0.28 -0.10 0.95 -0.36 0.00 0.00 175.35 175.58 3i7n s THR 192 N -2.45 0.80 -0.02 3.43 -4.23 -1.26 -1.98 115.64 109.92 3i7n s THR 192 Ca -0.06 -1.25 -0.02 0.00 -1.18 0.00 0.00 61.69 59.19 3i7n s THR 192 Cb -0.01 -0.89 0.01 0.00 1.34 0.00 0.00 72.50 72.95 3i7n s THR 192 CO -0.02 -0.36 0.06 -0.31 -0.54 0.00 0.00 174.62 173.44 3i7n s TYR 193 N -1.53 -0.06 0.74 3.99 4.12 -1.13 -2.42 117.35 121.06 3i7n s TYR 193 Ca -0.05 0.17 -0.13 0.00 0.02 0.00 0.00 57.07 57.08 3i7n s TYR 193 Cb -0.09 -0.02 0.04 0.00 -1.52 0.00 0.00 41.96 40.37 3i7n s TYR 193 CO 0.01 -0.05 1.13 -1.21 0.02 0.00 0.00 175.55 175.45 3i7n s GLU 194 N 0.27 2.28 -0.26 -0.62 2.02 -1.24 -1.28 118.70 119.87 3i7n s GLU 194 Ca -0.02 1.44 0.02 0.00 0.02 0.00 0.00 54.97 56.43 3i7n s GLU 194 Cb -0.03 -1.88 0.07 0.00 0.10 0.00 0.00 34.13 32.38 3i7n s GLU 194 CO -0.01 -1.66 -0.06 0.08 0.02 0.00 0.00 175.26 173.63 3i7n s VAL 195 N -2.44 1.89 -0.35 2.63 1.01 0.62 -3.84 120.40 119.92 3i7n s VAL 195 Ca 0.67 -1.55 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 3i7n s VAL 195 Cb -0.22 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 3i7n s VAL 195 CO 0.48 -0.15 0.24 -0.55 0.00 0.00 0.00 175.10 175.12 3i7n s SER 196 N 1.21 6.01 0.11 3.32 0.15 -1.24 -4.28 113.70 118.98 3i7n s SER 196 Ca -0.05 -0.53 0.25 0.00 0.70 0.00 0.00 55.95 56.32 3i7n s SER 196 Cb -0.19 -2.13 0.43 0.00 -1.71 0.00 0.00 66.02 62.42 3i7n s SER 196 CO -0.06 -0.27 1.38 0.00 1.20 0.00 0.00 173.24 175.49 3i7n n LEU 197 N 5.10 0.66 0.00 3.45 -0.00 -1.26 -2.58 117.00 122.36 3i7n n LEU 197 Ca -0.12 0.23 0.14 0.00 -0.00 0.00 0.00 56.01 56.26 3i7n n LEU 197 Cb 0.49 -0.21 0.68 0.00 -0.00 0.00 0.00 43.42 44.38 3i7n n LEU 197 CO 0.37 -0.04 0.97 -1.14 -0.00 0.00 0.00 177.39 177.55 3i7n n ARG 198 N -2.03 0.27 0.00 1.47 0.63 -1.26 -3.73 116.66 112.01 3i7n n ARG 198 Ca 0.04 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 3i7n n ARG 198 Cb 0.42 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.83 3i7n n ARG 198 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3i7n n GLU 199 N -1.36 3.30 -2.54 -0.14 -0.58 -1.24 -5.04 120.64 113.05 3i7n n GLU 199 Ca 0.11 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.83 3i7n n GLU 199 Cb 0.26 -0.93 0.01 0.00 -0.57 0.00 0.00 31.44 30.21 3i7n n GLU 199 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3i7n n LYS 200 N -1.81 -0.69 -3.41 3.49 5.02 -1.07 -5.05 118.16 114.64 3i7n n LYS 200 Ca 0.00 0.08 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 3i7n n LYS 200 Cb 0.43 -2.93 -0.05 0.00 -0.02 0.00 0.00 35.03 32.46 3i7n n LYS 200 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3i7n n GLU 201 N -0.96 0.42 0.00 1.97 0.28 -1.20 -4.82 120.64 116.33 3i7n n GLU 201 Ca -0.00 -2.07 0.00 0.00 -0.16 0.00 0.00 57.16 54.93 3i7n n GLU 201 Cb 0.51 1.48 0.00 0.00 1.43 0.00 0.00 31.44 34.85 3i7n n GLU 201 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3i7n n PHE 202 N -0.45 0.00 0.00 -1.84 3.72 -1.26 -3.71 117.46 113.91 3i7n n PHE 202 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3i7n n PHE 202 Cb 0.37 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 3i7n n PHE 202 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3i7n n ASN 203 N 0.00 0.00 -4.79 4.37 4.13 -1.25 -3.89 115.26 113.83 3i7n n ASN 203 Ca 0.00 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.89 3i7n n ASN 203 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 3i7n n ASN 203 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3i7n s LYS 204 N -2.04 4.51 0.63 3.52 2.20 -1.26 -3.83 119.74 123.47 3i7n s LYS 204 Ca 0.00 1.21 -0.09 0.00 -0.36 0.00 0.00 55.97 56.73 3i7n s LYS 204 Cb 0.00 -2.87 -0.01 0.00 -1.51 0.00 0.00 37.83 33.45 3i7n s LYS 204 CO 0.00 0.33 1.00 0.20 -0.36 0.00 0.00 175.35 176.53 3i7n s GLY 205 N -1.58 1.62 0.41 5.54 0.00 -1.01 -3.63 107.32 108.66 3i7n s GLY 205 Ca 0.47 -0.38 0.15 0.00 0.00 0.00 0.00 44.72 44.96 3i7n s GLY 205 CO 0.24 -0.08 1.90 -2.55 0.00 0.00 0.00 173.10 172.60 3i7n h PRO 206 N -0.37 0.00 -5.93 2.90 0.11 -1.93 -3.44 132.00 123.34 3i7n h PRO 206 Ca -0.45 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.12 3i7n h PRO 206 Cb 1.23 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.11 3i7n h PRO 206 CO 0.62 0.29 -0.82 1.67 -0.21 0.00 0.00 178.00 179.55 3i7n s TRP 207 N -4.32 1.66 0.50 0.65 -2.14 -1.26 -4.92 118.94 109.12 3i7n s TRP 207 Ca -0.03 -0.39 -0.23 0.00 2.66 0.00 0.00 56.10 58.10 3i7n s TRP 207 Cb 0.15 -0.96 -0.06 0.00 -3.10 0.00 0.00 33.47 29.50 3i7n s TRP 207 CO 0.70 0.12 1.38 1.63 -2.66 0.00 0.00 176.95 178.13 3i7n n LYS 208 N 1.54 1.92 -1.52 3.25 5.02 -1.26 -4.36 118.16 122.74 3i7n n LYS 208 Ca -0.18 0.69 -0.41 0.00 -2.02 0.00 0.00 58.31 56.39 3i7n n LYS 208 Cb 0.54 -2.59 -0.06 0.00 -0.02 0.00 0.00 35.03 32.90 3i7n n LYS 208 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3i7n n GLN 209 N -0.64 1.02 -2.15 1.97 7.27 -1.26 -4.87 117.38 118.72 3i7n n GLN 209 Ca 0.08 0.15 -0.27 0.00 0.07 0.00 0.00 57.00 57.02 3i7n n GLN 209 Cb 0.43 -2.88 0.14 0.00 2.41 0.00 0.00 30.24 30.35 3i7n n GLN 209 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 3i7n s GLU 210 N 7.63 1.23 0.25 3.69 0.41 -0.93 -4.91 118.70 126.07 3i7n s GLU 210 Ca 1.07 -0.56 0.03 0.00 -0.41 0.00 0.00 54.97 55.11 3i7n s GLU 210 Cb -0.53 -2.04 -0.03 0.00 -1.78 0.00 0.00 34.13 29.75 3i7n s GLU 210 CO 0.36 -1.93 0.40 -0.80 -0.49 0.00 0.00 175.26 172.81 3i7n s ASN 211 N -4.78 6.32 0.16 -0.19 0.01 -1.26 -1.90 114.94 113.30 3i7n s ASN 211 Ca 0.69 0.18 0.01 0.00 -0.71 0.00 0.00 52.86 53.03 3i7n s ASN 211 Cb -0.06 -1.91 -0.04 0.00 0.41 0.00 0.00 41.25 39.65 3i7n s ASN 211 CO 0.49 -0.11 0.03 0.68 -1.51 0.00 0.00 177.10 176.68 3i7n s VAL 212 N -2.03 0.46 0.63 1.60 -7.23 -0.77 -4.71 120.40 108.35 3i7n s VAL 212 Ca 0.36 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 58.41 3i7n s VAL 212 Cb -0.09 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 3i7n s VAL 212 CO 0.31 -0.45 1.10 -1.83 -0.31 0.00 0.00 175.10 173.91 3i7n s GLU 213 N -3.97 2.99 0.54 4.82 -1.05 -1.26 -4.01 118.70 116.76 3i7n s GLU 213 Ca 0.24 1.39 0.46 0.00 -0.15 0.00 0.00 54.97 56.91 3i7n s GLU 213 Cb 0.07 -1.98 1.68 0.00 -0.44 0.00 0.00 34.13 33.46 3i7n s GLU 213 CO 0.03 -1.10 1.62 0.00 0.95 0.00 0.00 175.26 176.76 3i7n h ALA 214 N 0.29 3.63 0.00 -0.84 0.00 -1.97 0.34 119.26 120.71 3i7n h ALA 214 Ca -0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3i7n h ALA 214 Cb 1.24 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3i7n h ALA 214 CO 0.55 -2.17 -0.28 0.39 0.00 0.00 0.00 179.25 177.75 3i7n n GLU 215 N -4.06 1.34 -1.78 0.00 -0.58 -1.26 -4.86 120.64 109.43 3i7n n GLU 215 Ca 0.41 -2.84 -0.42 0.00 -0.42 0.00 0.00 57.16 53.89 3i7n n GLU 215 Cb 1.83 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 31.20 3i7n n GLU 215 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i7n s ALA 216 N -2.85 3.88 0.00 0.62 0.00 0.11 -3.89 121.76 119.63 3i7n s ALA 216 Ca 0.34 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.81 3i7n s ALA 216 Cb 0.31 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3i7n s ALA 216 CO -0.02 -0.91 0.00 -1.13 0.00 0.00 0.00 175.76 173.70 3i7n n SER 217 N 4.13 1.22 -4.39 0.00 3.41 -0.17 -4.95 113.62 112.87 3i7n n SER 217 Ca 0.16 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.46 3i7n n SER 217 Cb 0.36 0.22 -0.14 0.00 -0.26 0.00 0.00 64.21 64.39 3i7n n SER 217 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3i7n s MET 218 N -0.63 1.93 -0.15 4.33 -1.94 -1.15 -4.54 119.30 117.16 3i7n s MET 218 Ca 0.00 -1.05 0.02 0.00 -1.71 0.00 0.00 55.69 52.95 3i7n s MET 218 Cb 0.00 -2.07 0.01 0.00 2.01 0.00 0.00 34.83 34.78 3i7n s MET 218 CO 0.00 0.53 -0.20 0.08 -0.01 0.00 0.00 175.02 175.42 3i7n s VAL 219 N -0.84 1.96 -0.14 -6.03 1.01 -1.26 -1.80 120.40 113.30 3i7n s VAL 219 Ca 0.13 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 3i7n s VAL 219 Cb -0.10 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 3i7n s VAL 219 CO 0.03 0.53 -0.07 -0.63 0.00 0.00 0.00 175.10 174.95 3i7n s ILE 220 N 1.01 3.56 -0.45 2.22 1.01 0.15 -4.80 121.20 123.90 3i7n s ILE 220 Ca -0.03 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 60.00 3i7n s ILE 220 Cb -0.15 -2.53 0.06 0.00 0.01 0.00 0.00 42.46 39.86 3i7n s ILE 220 CO -0.05 0.51 0.35 0.00 0.00 0.00 0.00 174.94 175.75 3i7n s ALA 221 N 0.27 3.48 0.27 9.38 0.00 -1.26 0.13 121.76 134.02 3i7n s ALA 221 Ca -0.06 -2.04 -0.30 0.00 0.00 0.00 0.00 51.96 49.57 3i7n s ALA 221 Cb -0.15 -2.94 -0.10 0.00 0.00 0.00 0.00 23.12 19.93 3i7n s ALA 221 CO 0.04 -1.65 1.37 0.08 0.00 0.00 0.00 175.76 175.59 3i7n s VAL 222 N 1.60 2.78 0.97 0.00 1.01 -0.70 -4.86 120.40 121.21 3i7n s VAL 222 Ca 0.04 0.70 -0.11 0.00 0.00 0.00 0.00 61.98 62.60 3i7n s VAL 222 Cb -0.23 -3.44 0.17 0.00 0.00 0.00 0.00 36.38 32.88 3i7n s VAL 222 CO 0.06 0.13 1.09 -2.84 0.00 0.00 0.00 175.10 173.54 3i7n s PRO 223 N -0.81 0.66 0.12 2.72 0.02 -1.26 -3.39 135.00 133.05 3i7n s PRO 223 Ca 0.55 1.10 -0.05 0.00 0.02 0.00 0.00 61.00 62.61 3i7n s PRO 223 Cb -0.40 -1.72 0.17 0.00 0.02 0.00 0.00 34.50 32.57 3i7n s PRO 223 CO 0.46 -2.73 0.70 0.39 -0.33 0.00 0.00 177.00 175.49 3i7n n GLU 224 N -4.26 -0.07 -0.12 5.54 -0.58 -1.26 -0.62 120.64 119.28 3i7n n GLU 224 Ca 0.08 0.70 -0.05 0.00 -0.42 0.00 0.00 57.16 57.47 3i7n n GLU 224 Cb 0.54 -1.05 0.01 0.00 -0.57 0.00 0.00 31.44 30.38 3i7n n GLU 224 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3i7n h PRO 225 N 0.00 -0.05 0.03 3.49 0.11 -1.89 -3.26 132.00 130.43 3i7n h PRO 225 Ca 0.19 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 66.02 3i7n h PRO 225 Cb 0.31 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.39 3i7n h PRO 225 CO -0.46 -0.03 -1.58 1.19 -0.21 0.00 0.00 178.00 176.91 3i7n n PHE 226 N -5.34 0.96 -0.89 0.65 3.01 -0.39 -4.83 117.46 110.64 3i7n n PHE 226 Ca 0.02 0.35 0.11 0.00 1.01 0.00 0.00 57.45 58.95 3i7n n PHE 226 Cb 0.25 -1.11 -0.05 0.00 -0.01 0.00 0.00 39.48 38.56 3i7n n PHE 226 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i7n n GLY 227 N 1.57 -2.54 0.00 1.37 0.00 0.21 -5.02 105.19 100.78 3i7n n GLY 227 Ca -0.34 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.43 3i7n n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7n n GLY 228 N -3.58 -1.25 2.97 -0.02 0.00 -1.26 -4.67 105.19 97.38 3i7n n GLY 228 Ca -0.03 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 3i7n n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7n s ALA 229 N -2.00 -0.34 -0.10 4.61 0.00 0.28 -1.72 121.76 122.48 3i7n s ALA 229 Ca 0.00 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 52.56 3i7n s ALA 229 Cb 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 3i7n s ALA 229 CO 0.00 -0.15 0.25 0.42 0.00 0.00 0.00 175.76 176.28 3i7n s ILE 230 N 1.04 5.32 -0.19 0.00 1.01 0.34 -1.02 121.20 127.69 3i7n s ILE 230 Ca -0.08 0.46 -0.01 0.00 0.00 0.00 0.00 60.65 61.02 3i7n s ILE 230 Cb -0.10 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.83 3i7n s ILE 230 CO -0.06 0.54 -0.12 -0.63 0.00 0.00 0.00 174.94 174.67 3i7n s ILE 231 N -0.57 2.77 -0.25 2.92 1.09 0.04 0.35 121.20 127.55 3i7n s ILE 231 Ca 0.17 -0.71 -0.07 0.00 -1.10 0.00 0.00 60.65 58.95 3i7n s ILE 231 Cb -0.13 -2.21 -0.02 0.00 -1.06 0.00 0.00 42.46 39.03 3i7n s ILE 231 CO 0.06 0.48 0.06 -0.63 -0.10 0.00 0.00 174.94 174.81 3i7n s ILE 232 N 1.27 4.17 0.00 2.92 1.01 -0.74 -1.72 121.20 128.11 3i7n s ILE 232 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.44 3i7n s ILE 232 Cb -0.14 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.37 3i7n s ILE 232 CO -0.06 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.82 3i7n n GLY 233 N 4.91 2.89 3.78 6.18 0.00 -0.38 -1.00 105.19 121.56 3i7n n GLY 233 Ca -0.16 -2.08 -0.39 0.00 0.00 0.00 0.00 46.02 43.39 3i7n n GLY 233 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i7n s GLN 234 N 0.91 4.58 0.00 1.61 -1.52 -1.25 -4.34 119.66 119.65 3i7n s GLN 234 Ca 0.00 1.21 0.00 0.00 -1.95 0.00 0.00 55.36 54.62 3i7n s GLN 234 Cb 0.00 -3.14 0.00 0.00 -0.22 0.00 0.00 33.01 29.65 3i7n s GLN 234 CO 0.00 0.49 0.00 -0.85 -0.25 0.00 0.00 175.29 174.68 3i7n n GLU 235 N 1.28 -1.45 -3.66 2.91 -0.00 -1.26 -4.86 120.64 113.61 3i7n n GLU 235 Ca -0.03 0.22 -0.13 0.00 -0.00 0.00 0.00 57.16 57.21 3i7n n GLU 235 Cb 0.49 -3.76 -0.08 0.00 -0.00 0.00 0.00 31.44 28.09 3i7n n GLU 235 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3i7n s SER 236 N -1.21 -0.67 -0.01 -1.84 0.15 -1.26 -3.99 113.70 104.87 3i7n s SER 236 Ca 0.00 1.27 0.05 0.00 0.70 0.00 0.00 55.95 57.97 3i7n s SER 236 Cb 0.00 1.28 -0.01 0.00 -1.71 0.00 0.00 66.02 65.57 3i7n s SER 236 CO 0.00 -0.22 -0.15 -0.63 1.20 0.00 0.00 173.24 173.44 3i7n s ILE 237 N 0.44 1.21 0.05 6.45 1.01 -0.46 -1.24 121.20 128.65 3i7n s ILE 237 Ca -0.01 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 3i7n s ILE 237 Cb -0.05 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 3i7n s ILE 237 CO -0.01 0.34 -0.02 0.42 0.00 0.00 0.00 174.94 175.67 3i7n s THR 238 N -0.36 0.20 -0.05 2.92 -4.23 -0.70 -1.75 115.64 111.66 3i7n s THR 238 Ca 0.06 -1.69 0.03 0.00 -1.18 0.00 0.00 61.69 58.92 3i7n s THR 238 Cb -0.06 -1.37 0.00 0.00 1.34 0.00 0.00 72.50 72.42 3i7n s THR 238 CO -0.01 -0.93 -0.15 -0.47 -0.54 0.00 0.00 174.62 172.52 3i7n s TYR 239 N -3.63 1.62 0.02 3.99 5.04 0.12 -0.78 117.35 123.74 3i7n s TYR 239 Ca 0.04 -0.53 0.05 0.00 -2.44 0.00 0.00 57.07 54.19 3i7n s TYR 239 Cb 0.06 -1.13 -0.02 0.00 0.35 0.00 0.00 41.96 41.22 3i7n s TYR 239 CO -0.09 -0.22 -0.16 -1.01 -1.34 0.00 0.00 175.55 172.73 3i7n s HIS 240 N 0.30 1.37 -0.30 4.97 3.76 -0.19 -1.13 115.29 124.07 3i7n s HIS 240 Ca -0.09 -0.32 -0.16 0.00 -0.15 0.00 0.00 55.06 54.34 3i7n s HIS 240 Cb -0.13 -0.84 0.17 0.00 1.11 0.00 0.00 32.58 32.89 3i7n s HIS 240 CO 0.03 0.02 1.08 1.21 -0.85 0.00 0.00 174.74 176.24 3i7n s ASN 241 N -0.83 -0.41 0.60 1.40 3.84 -0.75 -0.56 114.94 118.22 3i7n s ASN 241 Ca 0.04 0.56 0.00 0.00 0.21 0.00 0.00 52.86 53.67 3i7n s ASN 241 Cb -0.07 1.47 0.00 0.00 -0.55 0.00 0.00 41.25 42.10 3i7n s ASN 241 CO 0.01 -0.08 0.00 0.61 -2.79 0.00 0.00 177.10 174.85 3i7n n GLY 242 N 4.86 2.79 0.53 1.21 0.00 -1.26 0.12 105.19 113.44 3i7n n GLY 242 Ca -0.08 0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3i7n n GLY 242 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i7n n ASP 243 N 3.94 1.87 -4.71 1.61 10.43 -1.26 -4.82 116.55 123.62 3i7n n ASP 243 Ca 0.00 -1.45 -0.42 0.00 2.57 0.00 0.00 54.79 55.49 3i7n n ASP 243 Cb 0.00 0.19 -0.03 0.00 1.84 0.00 0.00 41.12 43.12 3i7n n ASP 243 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 3i7n s LYS 244 N -2.29 4.37 -0.20 -1.24 2.47 0.32 -5.04 119.74 118.14 3i7n s LYS 244 Ca 0.26 1.89 -0.04 0.00 -1.56 0.00 0.00 55.97 56.52 3i7n s LYS 244 Cb 0.19 -3.36 0.09 0.00 -1.46 0.00 0.00 37.83 33.29 3i7n s LYS 244 CO 0.46 -0.37 0.19 -0.47 0.16 0.00 0.00 175.35 175.32 3i7n s TYR 245 N 1.32 -0.16 -0.08 4.03 5.04 -1.26 -1.80 117.35 124.44 3i7n s TYR 245 Ca 0.61 0.07 0.04 0.00 -2.44 0.00 0.00 57.07 55.35 3i7n s TYR 245 Cb -0.32 -0.45 -0.00 0.00 0.35 0.00 0.00 41.96 41.54 3i7n s TYR 245 CO 0.29 -0.59 -0.22 -0.51 -1.34 0.00 0.00 175.55 173.17 3i7n s LEU 246 N 2.28 2.02 -0.05 6.97 1.43 -0.28 -4.96 118.68 126.09 3i7n s LEU 246 Ca 0.06 -0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 52.65 3i7n s LEU 246 Cb -0.16 -1.31 0.03 0.00 0.03 0.00 0.00 46.19 44.78 3i7n s LEU 246 CO -0.12 0.16 -0.01 0.00 0.23 0.00 0.00 176.35 176.61 3i7n s ALA 247 N 0.25 0.56 0.01 4.21 0.00 -1.26 0.15 121.76 125.68 3i7n s ALA 247 Ca -0.14 -0.01 0.05 0.00 0.00 0.00 0.00 51.96 51.86 3i7n s ALA 247 Cb -0.16 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 3i7n s ALA 247 CO 0.07 -0.22 -0.11 0.96 0.00 0.00 0.00 175.76 176.45 3i7n s ILE 248 N 1.41 3.32 -0.50 0.00 -4.36 -0.72 -5.03 121.20 115.31 3i7n s ILE 248 Ca -0.04 -0.90 0.08 0.00 -0.26 0.00 0.00 60.65 59.52 3i7n s ILE 248 Cb -0.13 -2.42 0.29 0.00 1.25 0.00 0.00 42.46 41.45 3i7n s ILE 248 CO -0.03 0.39 0.74 0.00 0.24 0.00 0.00 174.94 176.29 3i7n n ALA 249 N 1.62 3.37 -2.19 2.27 0.00 -1.26 -1.36 120.51 122.96 3i7n n ALA 249 Ca -0.16 -4.12 -0.42 0.00 0.00 0.00 0.00 53.44 48.74 3i7n n ALA 249 Cb 0.52 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 3i7n n ALA 249 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i7n s PRO 250 N -2.40 4.21 0.26 0.00 0.04 -1.26 -4.87 135.00 130.98 3i7n s PRO 250 Ca 0.41 1.96 -0.05 0.00 0.04 0.00 0.00 61.00 63.36 3i7n s PRO 250 Cb 0.23 -3.85 0.48 0.00 0.04 0.00 0.00 34.50 31.40 3i7n s PRO 250 CO -0.08 -0.76 1.41 -2.30 0.04 0.00 0.00 177.00 175.30 3i7n n PRO 251 N 6.74 -0.08 -0.46 0.56 -0.02 -1.26 -1.36 135.00 139.11 3i7n n PRO 251 Ca 0.15 1.39 0.38 0.00 -2.02 0.00 0.00 63.50 63.41 3i7n n PRO 251 Cb 0.44 -2.11 0.69 0.00 -0.02 0.00 0.00 33.50 32.49 3i7n n PRO 251 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3i7n h ILE 252 N 0.00 0.21 -0.00 4.25 2.10 -1.96 0.44 117.51 122.54 3i7n h ILE 252 Ca 0.46 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 66.37 3i7n h ILE 252 Cb 0.78 0.11 0.00 0.00 -1.09 0.00 0.00 36.82 36.62 3i7n h ILE 252 CO -0.91 0.02 -0.50 2.30 -1.08 0.00 0.00 178.15 177.98 3i7n n ILE 253 N -4.42 0.00 -0.23 2.19 -5.35 -0.47 -3.94 119.36 107.15 3i7n n ILE 253 Ca 0.35 -0.07 0.05 0.00 -0.27 0.00 0.00 62.75 62.81 3i7n n ILE 253 Cb 1.44 0.53 0.30 0.00 -1.74 0.00 0.00 39.64 40.17 3i7n n ILE 253 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3i7n h LYS 254 N 0.64 0.86 -1.53 6.28 3.64 -1.04 -3.21 116.57 122.21 3i7n h LYS 254 Ca 0.00 -0.05 0.45 0.00 -1.27 0.00 0.00 60.65 59.78 3i7n h LYS 254 Cb 0.53 -0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.08 3i7n h LYS 254 CO 0.00 0.57 1.09 1.96 -2.27 0.00 0.00 179.45 180.79 3i7n h GLN 255 N 0.88 0.03 -2.34 1.90 7.50 -1.75 -3.44 115.11 117.89 3i7n h GLN 255 Ca 0.33 -0.00 0.07 0.00 0.50 0.00 0.00 58.65 59.55 3i7n h GLN 255 Cb 0.18 -0.01 -0.16 0.00 0.05 0.00 0.00 27.48 27.55 3i7n h GLN 255 CO -0.11 0.02 0.42 0.45 -1.50 0.00 0.00 178.83 178.11 3i7n s SER 256 N -4.55 -0.43 0.24 1.46 0.15 -1.21 -5.02 113.70 104.34 3i7n s SER 256 Ca -0.05 0.09 -0.25 0.00 0.70 0.00 0.00 55.95 56.44 3i7n s SER 256 Cb 0.26 0.43 -0.09 0.00 -1.71 0.00 0.00 66.02 64.91 3i7n s SER 256 CO 0.85 -0.67 0.84 -0.89 1.20 0.00 0.00 173.24 174.57 3i7n s THR 257 N -2.92 4.33 -0.04 6.45 2.01 -1.26 -4.82 115.64 119.38 3i7n s THR 257 Ca 0.02 1.69 -0.29 0.00 0.31 0.00 0.00 61.69 63.42 3i7n s THR 257 Cb -0.01 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 3i7n s THR 257 CO -0.08 0.31 0.97 -0.63 -0.69 0.00 0.00 174.62 174.50 3i7n s ILE 258 N -1.41 4.86 -0.11 1.82 1.01 -1.26 -1.21 121.20 124.89 3i7n s ILE 258 Ca 0.43 2.01 0.07 0.00 0.00 0.00 0.00 60.65 63.16 3i7n s ILE 258 Cb -0.20 -4.30 -0.12 0.00 0.01 0.00 0.00 42.46 37.85 3i7n s ILE 258 CO 0.25 0.12 -0.00 0.52 0.00 0.00 0.00 174.94 175.82 3i7n n VAL 259 N 4.10 0.75 -3.71 2.92 0.31 0.66 -4.95 118.33 118.40 3i7n n VAL 259 Ca 0.06 -0.41 -0.11 0.00 -0.01 0.00 0.00 64.34 63.87 3i7n n VAL 259 Cb 0.50 -0.79 -0.06 0.00 -0.91 0.00 0.00 33.84 32.58 3i7n n VAL 259 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i7n s HIS 261 N -2.87 1.64 -0.28 0.00 -3.43 -1.26 0.79 115.29 109.87 3i7n s HIS 261 Ca -0.03 -1.49 -0.21 0.00 -0.80 0.00 0.00 55.06 52.54 3i7n s HIS 261 Cb 0.00 -0.80 0.12 0.00 -1.43 0.00 0.00 32.58 30.47 3i7n s HIS 261 CO -0.05 -0.65 0.97 1.21 -2.00 0.00 0.00 174.74 174.22 3i7n s ASN 262 N -3.38 -0.52 0.01 7.38 2.47 -0.98 -4.59 114.94 115.32 3i7n s ASN 262 Ca 0.37 0.93 -0.30 0.00 0.42 0.00 0.00 52.86 54.27 3i7n s ASN 262 Cb 0.04 1.06 -0.05 0.00 -1.45 0.00 0.00 41.25 40.85 3i7n s ASN 262 CO 0.21 -0.15 1.22 -0.60 -3.72 0.00 0.00 177.10 174.05 3i7n s ARG 263 N 0.74 4.38 -0.20 0.43 3.52 -1.26 -0.02 118.95 126.53 3i7n s ARG 263 Ca -0.02 1.75 -0.20 0.00 -0.13 0.00 0.00 55.73 57.13 3i7n s ARG 263 Cb -0.05 -3.46 -0.17 0.00 -1.56 0.00 0.00 34.95 29.72 3i7n s ARG 263 CO -0.10 -0.37 0.12 0.28 -0.81 0.00 0.00 175.30 174.42 3i7n n VAL 264 N 4.29 1.52 -4.24 7.11 0.31 0.16 -4.66 118.33 122.83 3i7n n VAL 264 Ca 0.10 -0.01 -0.34 0.00 -0.01 0.00 0.00 64.34 64.08 3i7n n VAL 264 Cb 0.46 -2.08 -0.12 0.00 -0.91 0.00 0.00 33.84 31.19 3i7n n VAL 264 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3i7n s ASP 265 N -6.75 5.00 0.55 4.52 1.01 -1.20 -5.00 116.67 114.80 3i7n s ASP 265 Ca -0.28 -0.10 0.41 0.00 0.71 0.00 0.00 52.55 53.29 3i7n s ASP 265 Cb 0.06 -1.84 1.59 0.00 1.01 0.00 0.00 42.92 43.75 3i7n s ASP 265 CO 0.54 0.15 1.72 -0.65 0.21 0.00 0.00 175.17 177.13 3i7n h PRO 266 N 6.88 0.00 0.00 8.23 0.11 -1.92 1.32 132.00 146.62 3i7n h PRO 266 Ca -0.33 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.74 3i7n h PRO 266 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3i7n h PRO 266 CO 0.64 0.00 -0.21 -2.95 -0.21 0.00 0.00 178.00 175.27 3i7n h ASN 267 N 0.00 0.00 -0.49 -2.05 -1.07 -1.96 -3.44 115.58 106.58 3i7n h ASN 267 Ca 0.67 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.04 3i7n h ASN 267 Cb 2.75 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 39.00 3i7n h ASN 267 CO -0.01 0.17 0.00 0.61 0.07 0.00 0.00 177.43 178.28 3i7n n GLY 268 N 1.15 0.75 0.21 9.14 0.00 0.45 -4.33 105.19 112.56 3i7n n GLY 268 Ca 0.03 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.36 3i7n n GLY 268 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i7n h SER 269 N 0.00 0.11 -3.54 1.61 4.64 -1.88 -3.44 113.55 111.05 3i7n h SER 269 Ca 0.00 -0.03 -0.27 0.00 -0.47 0.00 0.00 61.79 61.02 3i7n h SER 269 Cb 0.91 -0.03 -0.32 0.00 -0.31 0.00 0.00 62.40 62.65 3i7n h SER 269 CO 0.00 0.40 -0.68 -0.13 -0.87 0.00 0.00 176.83 175.55 3i7n s ARG 270 N -4.41 0.02 0.12 4.77 0.52 -1.26 -0.58 118.95 118.14 3i7n s ARG 270 Ca -0.04 0.22 0.06 0.00 -0.52 0.00 0.00 55.73 55.45 3i7n s ARG 270 Cb 0.15 -0.17 -0.04 0.00 0.52 0.00 0.00 34.95 35.41 3i7n s ARG 270 CO 0.73 -0.13 -0.14 0.71 0.02 0.00 0.00 175.30 176.48 3i7n s TYR 271 N 0.88 1.42 0.10 -0.53 1.51 0.22 -0.66 117.35 120.30 3i7n s TYR 271 Ca -0.07 -0.54 -0.15 0.00 -1.01 0.00 0.00 57.07 55.30 3i7n s TYR 271 Cb -0.10 -0.74 -0.07 0.00 -0.11 0.00 0.00 41.96 40.94 3i7n s TYR 271 CO -0.03 0.15 0.52 -0.51 -1.11 0.00 0.00 175.55 174.56 3i7n s LEU 272 N -2.42 4.40 -0.04 -1.29 1.43 0.97 -0.01 118.68 121.71 3i7n s LEU 272 Ca 0.09 1.07 0.05 0.00 -1.03 0.00 0.00 54.13 54.30 3i7n s LEU 272 Cb -0.05 -3.05 -0.01 0.00 0.03 0.00 0.00 46.19 43.11 3i7n s LEU 272 CO 0.03 0.18 -0.20 -0.76 0.23 0.00 0.00 176.35 175.84 3i7n s LEU 273 N -1.64 1.97 -0.10 1.79 1.43 -0.24 -2.33 118.68 119.55 3i7n s LEU 273 Ca 0.33 -0.39 -0.06 0.00 -1.03 0.00 0.00 54.13 52.98 3i7n s LEU 273 Cb -0.16 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 3i7n s LEU 273 CO 0.18 0.19 0.12 -0.83 0.23 0.00 0.00 176.35 176.24 3i7n s GLY 274 N -0.10 2.11 0.17 -3.19 0.00 0.24 -1.35 107.32 105.19 3i7n s GLY 274 Ca -0.02 -0.68 0.05 0.00 0.00 0.00 0.00 44.72 44.07 3i7n s GLY 274 CO 0.02 -0.44 0.18 -0.35 0.00 0.00 0.00 173.10 172.51 3i7n s ASP 275 N -1.10 5.73 0.53 1.64 3.68 -0.97 -0.24 116.67 125.93 3i7n s ASP 275 Ca 0.16 -0.06 0.20 0.00 2.13 0.00 0.00 52.55 54.98 3i7n s ASP 275 Cb -0.12 -1.56 1.34 0.00 -1.45 0.00 0.00 42.92 41.13 3i7n s ASP 275 CO 0.05 0.06 2.09 -0.03 0.13 0.00 0.00 175.17 177.47 3i7n h MET 276 N 2.28 0.00 0.00 4.34 1.85 -1.48 -2.30 114.93 119.62 3i7n h MET 276 Ca -0.48 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 58.53 3i7n h MET 276 Cb 1.20 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.22 3i7n h MET 276 CO 0.64 0.00 -0.38 0.93 -0.40 0.00 0.00 176.91 177.71 3i7n h GLU 277 N 0.00 0.00 0.00 0.39 4.39 -1.94 -3.47 114.58 113.95 3i7n h GLU 277 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3i7n h GLU 277 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 3i7n h GLU 277 CO -0.00 0.38 0.00 0.41 -1.16 0.00 0.00 179.01 178.63 3i7n n GLY 278 N 0.62 0.26 3.77 -3.84 0.00 -0.87 -4.74 105.19 100.39 3i7n n GLY 278 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3i7n n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i7n s ARG 279 N -0.97 4.04 -0.11 1.61 0.52 -1.26 0.12 118.95 122.90 3i7n s ARG 279 Ca 0.00 2.31 0.00 0.00 -0.52 0.00 0.00 55.73 57.52 3i7n s ARG 279 Cb 0.00 -2.86 -0.02 0.00 0.52 0.00 0.00 34.95 32.59 3i7n s ARG 279 CO 0.00 -0.49 -0.11 -1.17 0.02 0.00 0.00 175.30 173.55 3i7n s LEU 280 N -2.26 2.87 0.17 2.53 2.96 -0.13 -2.30 118.68 122.52 3i7n s LEU 280 Ca 0.55 -0.23 0.10 0.00 -0.22 0.00 0.00 54.13 54.33 3i7n s LEU 280 Cb -0.41 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 3i7n s LEU 280 CO 0.54 0.23 -0.17 -0.36 -1.32 0.00 0.00 176.35 175.27 3i7n s PHE 281 N -0.01 2.48 -0.24 5.38 0.40 -0.46 -0.82 117.98 124.71 3i7n s PHE 281 Ca -0.02 -0.29 -0.09 0.00 -0.60 0.00 0.00 56.93 55.93 3i7n s PHE 281 Cb -0.14 -1.24 -0.04 0.00 0.51 0.00 0.00 43.02 42.10 3i7n s PHE 281 CO 0.04 0.47 0.13 1.41 0.70 0.00 0.00 175.22 177.96 3i7n s MET 282 N -2.59 3.94 -0.21 0.44 1.75 -0.25 -1.08 119.30 121.30 3i7n s MET 282 Ca 0.21 -0.34 -0.16 0.00 -1.25 0.00 0.00 55.69 54.16 3i7n s MET 282 Cb -0.09 -3.45 -0.04 0.00 2.84 0.00 0.00 34.83 34.10 3i7n s MET 282 CO 0.12 0.01 0.38 -1.17 -0.65 0.00 0.00 175.02 173.71 3i7n s LEU 283 N 1.15 4.15 -0.06 4.11 0.20 0.98 -0.91 118.68 128.29 3i7n s LEU 283 Ca 0.06 0.48 0.05 0.00 0.69 0.00 0.00 54.13 55.41 3i7n s LEU 283 Cb -0.14 -2.49 -0.00 0.00 -0.43 0.00 0.00 46.19 43.13 3i7n s LEU 283 CO 0.05 -0.07 -0.21 -0.76 -0.29 0.00 0.00 176.35 175.06 3i7n s LEU 284 N 1.34 1.98 -0.32 -0.68 1.43 0.06 -0.61 118.68 121.89 3i7n s LEU 284 Ca 0.18 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.79 3i7n s LEU 284 Cb -0.15 -1.19 0.04 0.00 0.03 0.00 0.00 46.19 44.92 3i7n s LEU 284 CO 0.08 0.18 0.06 -0.76 0.23 0.00 0.00 176.35 176.13 3i7n s LEU 285 N 0.08 4.07 -0.43 1.79 1.43 0.26 -0.14 118.68 125.74 3i7n s LEU 285 Ca -0.08 -1.12 -0.28 0.00 -1.03 0.00 0.00 54.13 51.62 3i7n s LEU 285 Cb -0.14 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.27 3i7n s LEU 285 CO 0.04 -0.28 1.62 -0.70 0.23 0.00 0.00 176.35 177.26 3i7n s GLU 286 N 1.36 3.32 0.03 1.70 2.12 0.56 -4.82 118.70 122.97 3i7n s GLU 286 Ca -0.02 1.01 -0.01 0.00 0.36 0.00 0.00 54.97 56.31 3i7n s GLU 286 Cb -0.19 -4.15 0.01 0.00 0.26 0.00 0.00 34.13 30.05 3i7n s GLU 286 CO 0.01 -1.89 0.02 1.63 -0.54 0.00 0.00 175.26 174.50 3i7n n LYS 287 N 8.44 -1.81 -3.28 4.30 5.02 -1.26 -0.99 118.16 128.58 3i7n n LYS 287 Ca 0.19 -0.03 0.03 0.00 -2.02 0.00 0.00 58.31 56.47 3i7n n LYS 287 Cb 0.48 -0.04 -0.04 0.00 -0.02 0.00 0.00 35.03 35.41 3i7n n LYS 287 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3i7n s GLU 288 N -3.05 0.13 -0.16 1.97 2.12 -1.25 -4.06 118.70 114.41 3i7n s GLU 288 Ca 0.02 0.31 -0.07 0.00 0.36 0.00 0.00 54.97 55.59 3i7n s GLU 288 Cb -0.00 0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.53 3i7n s GLU 288 CO 0.01 -0.04 0.07 -2.00 -0.54 0.00 0.00 175.26 172.76 3i7n s GLU 289 N 2.13 3.75 -0.24 4.30 2.12 -1.26 -1.34 118.70 128.16 3i7n s GLU 289 Ca -0.01 -0.30 -0.03 0.00 0.36 0.00 0.00 54.97 54.99 3i7n s GLU 289 Cb -0.03 -3.16 0.08 0.00 0.26 0.00 0.00 34.13 31.28 3i7n s GLU 289 CO -0.16 0.43 0.07 1.14 -0.54 0.00 0.00 175.26 176.21 3i7n s GLN 290 N -0.08 0.53 0.20 4.30 -2.07 -1.24 -5.05 119.66 116.24 3i7n s GLN 290 Ca 0.07 -0.59 -0.08 0.00 -1.82 0.00 0.00 55.36 52.94 3i7n s GLN 290 Cb -0.12 -1.88 -0.06 0.00 -1.09 0.00 0.00 33.01 29.86 3i7n s GLN 290 CO 0.01 -0.81 -0.02 -1.33 -1.32 0.00 0.00 175.29 171.82 3i7n n MET 291 N 5.05 0.00 -4.16 9.60 2.81 -1.26 -1.06 117.12 128.10 3i7n n MET 291 Ca -0.06 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.48 3i7n n MET 291 Cb 0.45 -0.42 -0.02 0.00 -0.71 0.00 0.00 33.22 32.52 3i7n n MET 291 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3i7n n ASP 292 N 1.03 -3.16 -3.05 7.83 9.92 -1.26 -4.87 116.55 122.99 3i7n n ASP 292 Ca 0.04 -0.99 0.04 0.00 -0.53 0.00 0.00 54.79 53.35 3i7n n ASP 292 Cb 0.19 -2.91 0.00 0.00 -0.64 0.00 0.00 41.12 37.75 3i7n n ASP 292 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3i7n s GLY 293 N -3.41 -1.15 0.00 0.44 0.00 -0.22 -5.12 107.32 97.86 3i7n s GLY 293 Ca 0.65 1.68 0.00 0.00 0.00 0.00 0.00 44.72 47.06 3i7n s GLY 293 CO 0.91 4.10 0.00 2.41 0.00 0.00 0.00 173.10 180.53 3i7n n THR 294 N 4.70 0.00 -3.98 0.90 -1.04 -1.26 -3.66 114.28 109.94 3i7n n THR 294 Ca 0.08 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.99 3i7n n THR 294 Cb 0.59 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.06 3i7n n THR 294 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i7n s VAL 295 N 0.00 0.00 0.00 12.58 -7.23 -1.26 -4.24 120.40 120.25 3i7n s VAL 295 Ca 0.00 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 3i7n s VAL 295 Cb 0.00 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.53 3i7n s VAL 295 CO 0.00 0.00 0.00 1.07 -0.31 0.00 0.00 175.10 175.86 3i7n n THR 296 N -0.46 0.00 -3.47 5.32 5.66 -0.45 -4.99 114.28 115.90 3i7n n THR 296 Ca -0.02 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.77 3i7n n THR 296 Cb 0.61 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.27 3i7n n THR 296 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3i7n s LEU 297 N 0.00 0.02 -0.09 1.09 1.02 -1.26 -3.79 118.68 115.67 3i7n s LEU 297 Ca 0.00 -0.78 -0.25 0.00 0.02 0.00 0.00 54.13 53.12 3i7n s LEU 297 Cb 0.00 0.22 -0.28 0.00 0.02 0.00 0.00 46.19 46.15 3i7n s LEU 297 CO 0.00 -0.39 0.85 0.50 0.02 0.00 0.00 176.35 177.33 3i7n h LYS 298 N 8.32 0.16 -3.31 1.70 1.63 -1.20 -3.49 116.57 120.38 3i7n h LYS 298 Ca -0.16 -0.27 -0.01 0.00 -0.85 0.00 0.00 60.65 59.36 3i7n h LYS 298 Cb 1.08 0.10 -0.09 0.00 -0.60 0.00 0.00 32.23 32.71 3i7n h LYS 298 CO 0.35 1.12 0.04 0.34 -3.45 0.00 0.00 179.45 177.85 3i7n s ASP 299 N -6.60 -0.24 0.01 4.20 2.15 -1.07 -5.00 116.67 110.12 3i7n s ASP 299 Ca -0.16 -0.54 0.02 0.00 0.43 0.00 0.00 52.55 52.30 3i7n s ASP 299 Cb -0.01 0.60 -0.01 0.00 -0.30 0.00 0.00 42.92 43.20 3i7n s ASP 299 CO 0.76 -1.10 -0.06 -1.48 -0.17 0.00 0.00 175.17 173.12 3i7n s LEU 300 N -2.89 2.09 0.05 -1.34 2.34 -1.26 0.21 118.68 117.87 3i7n s LEU 300 Ca 0.11 -0.25 -0.05 0.00 0.06 0.00 0.00 54.13 54.00 3i7n s LEU 300 Cb -0.02 -0.25 -0.02 0.00 -0.56 0.00 0.00 46.19 45.35 3i7n s LEU 300 CO -0.00 -0.02 0.08 0.00 -1.06 0.00 0.00 176.35 175.34 3i7n s ARG 301 N -0.61 0.61 -0.16 1.48 1.70 0.81 -4.87 118.95 117.91 3i7n s ARG 301 Ca -0.02 -0.86 -0.06 0.00 -0.47 0.00 0.00 55.73 54.32 3i7n s ARG 301 Cb -0.05 0.23 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 3i7n s ARG 301 CO 0.00 -0.15 0.04 0.08 -1.08 0.00 0.00 175.30 174.20 3i7n s VAL 302 N -2.96 4.65 -0.10 4.99 1.01 -1.26 -0.76 120.40 125.97 3i7n s VAL 302 Ca -0.02 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.90 3i7n s VAL 302 Cb 0.01 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3i7n s VAL 302 CO -0.06 0.50 -0.21 -1.61 0.00 0.00 0.00 175.10 173.71 3i7n s GLU 303 N 0.10 2.73 0.04 2.72 2.02 -0.09 -4.97 118.70 121.25 3i7n s GLU 303 Ca 0.04 -0.77 -0.31 0.00 0.02 0.00 0.00 54.97 53.96 3i7n s GLU 303 Cb -0.12 -2.10 -0.07 0.00 0.10 0.00 0.00 34.13 31.93 3i7n s GLU 303 CO 0.01 0.13 1.52 -1.17 0.02 0.00 0.00 175.26 175.77 3i7n s LEU 304 N 0.46 4.34 -0.04 1.80 2.96 -1.26 -1.10 118.68 125.85 3i7n s LEU 304 Ca -0.17 2.31 0.18 0.00 -0.22 0.00 0.00 54.13 56.23 3i7n s LEU 304 Cb -0.17 -3.56 -0.28 0.00 0.50 0.00 0.00 46.19 42.67 3i7n s LEU 304 CO 0.07 -0.79 0.37 0.18 -1.32 0.00 0.00 176.35 174.85 3i7n n LEU 305 N 5.33 0.00 0.00 -0.68 4.77 -0.00 -4.90 117.00 121.52 3i7n n LEU 305 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3i7n n LEU 305 Cb 0.42 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3i7n n LEU 305 CO 0.60 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3i7n n GLY 306 N 1.50 0.34 2.95 -0.72 0.00 -1.21 -1.52 105.19 106.53 3i7n n GLY 306 Ca -0.06 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 3i7n n GLY 306 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i7n s GLU 307 N -2.00 0.12 0.36 1.61 2.12 -1.26 -0.96 118.70 118.69 3i7n s GLU 307 Ca 0.00 0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.75 3i7n s GLU 307 Cb 0.00 -0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.22 3i7n s GLU 307 CO 0.00 -0.17 0.00 0.25 -0.54 0.00 0.00 175.26 174.81 3i7n n THR 308 N 4.24 0.00 -1.16 -1.70 -2.24 0.33 -4.94 114.28 108.82 3i7n n THR 308 Ca -0.26 -1.71 -0.34 0.00 -2.27 0.00 0.00 64.05 59.47 3i7n n THR 308 Cb 0.52 0.33 0.12 0.00 -2.10 0.00 0.00 70.33 69.20 3i7n n THR 308 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3i7n n SER 309 N -1.23 0.87 -4.68 3.42 7.64 -1.26 -4.55 113.62 113.84 3i7n n SER 309 Ca -0.15 0.60 -0.50 0.00 1.01 0.00 0.00 58.87 59.83 3i7n n SER 309 Cb 0.46 -1.48 -0.05 0.00 -1.01 0.00 0.00 64.21 62.12 3i7n n SER 309 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3i7n n ILE 310 N -3.12 0.33 -3.74 0.44 2.08 -1.26 -4.65 119.36 109.44 3i7n n ILE 310 Ca 0.13 -0.06 -0.37 0.00 0.56 0.00 0.00 62.75 63.02 3i7n n ILE 310 Cb 0.50 -1.54 -0.11 0.00 -0.75 0.00 0.00 39.64 37.73 3i7n n ILE 310 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i7n s ALA 311 N 2.88 3.35 -0.11 -1.39 0.00 -1.26 -4.15 121.76 121.07 3i7n s ALA 311 Ca 0.90 -1.04 -0.22 0.00 0.00 0.00 0.00 51.96 51.61 3i7n s ALA 311 Cb -0.80 -2.20 -0.27 0.00 0.00 0.00 0.00 23.12 19.85 3i7n s ALA 311 CO 0.51 -0.38 0.66 0.93 0.00 0.00 0.00 175.76 177.48 3i7n h GLU 312 N 7.98 0.16 -5.53 0.00 4.39 -0.79 -3.43 114.58 117.36 3i7n h GLU 312 Ca -0.37 -0.28 -0.63 0.00 0.34 0.00 0.00 59.36 58.41 3i7n h GLU 312 Cb 1.18 0.10 -0.32 0.00 -0.10 0.00 0.00 28.75 29.61 3i7n h GLU 312 CO 0.59 1.13 -0.86 0.00 -1.16 0.00 0.00 179.01 178.72 3i7n s LEU 314 N 0.07 2.03 -0.27 0.00 1.02 -1.26 0.11 118.68 120.38 3i7n s LEU 314 Ca -0.08 -0.27 -0.00 0.00 0.02 0.00 0.00 54.13 53.79 3i7n s LEU 314 Cb -0.14 -0.77 0.16 0.00 0.02 0.00 0.00 46.19 45.46 3i7n s LEU 314 CO 0.04 0.18 0.47 -0.89 0.02 0.00 0.00 176.35 176.18 3i7n s THR 315 N -0.36 -0.77 0.38 5.49 2.01 -0.94 -4.65 115.64 116.81 3i7n s THR 315 Ca 0.06 -0.09 -0.28 0.00 0.31 0.00 0.00 61.69 61.69 3i7n s THR 315 Cb -0.06 -0.92 -0.11 0.00 0.01 0.00 0.00 72.50 71.42 3i7n s THR 315 CO -0.01 -0.11 1.47 0.00 -0.69 0.00 0.00 174.62 175.29 3i7n n TYR 316 N 5.39 2.92 0.00 4.92 9.36 -1.26 -1.05 117.16 137.43 3i7n n TYR 316 Ca -0.01 0.45 0.00 0.00 3.32 0.00 0.00 57.90 61.66 3i7n n TYR 316 Cb 0.51 -2.52 0.00 0.00 -0.63 0.00 0.00 39.34 36.70 3i7n n TYR 316 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3i7n n LEU 317 N 0.42 0.00 0.00 2.98 4.77 -0.34 -4.88 117.00 119.94 3i7n n LEU 317 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3i7n n LEU 317 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3i7n n LEU 317 CO 0.63 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 176.02 3i7n n ASP 318 N 0.00 0.00 -4.39 -1.43 4.64 -1.26 -4.89 116.55 109.22 3i7n n ASP 318 Ca 0.00 0.00 -0.44 0.00 -1.38 0.00 0.00 54.79 52.97 3i7n n ASP 318 Cb 0.00 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.02 3i7n n ASP 318 CO 0.00 0.00 0.00 0.20 -0.82 0.00 0.00 177.20 176.58 3i7n s ASN 319 N -1.39 6.19 0.00 1.67 0.01 -1.26 -4.17 114.94 115.99 3i7n s ASN 319 Ca 0.00 -1.27 0.00 0.00 -0.71 0.00 0.00 52.86 50.88 3i7n s ASN 319 Cb 0.00 -2.26 0.00 0.00 0.41 0.00 0.00 41.25 39.40 3i7n s ASN 319 CO 0.00 -0.89 0.00 0.61 -1.51 0.00 0.00 177.10 175.31 3i7n n GLY 320 N 5.22 1.20 3.81 0.66 0.00 -1.26 -4.89 105.19 109.93 3i7n n GLY 320 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 3i7n n GLY 320 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i7n s VAL 321 N -2.57 4.51 -0.04 1.61 1.01 -1.26 0.19 120.40 123.86 3i7n s VAL 321 Ca 0.00 1.35 -0.01 0.00 0.00 0.00 0.00 61.98 63.31 3i7n s VAL 321 Cb 0.00 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.58 3i7n s VAL 321 CO 0.00 0.10 0.07 -0.69 0.00 0.00 0.00 175.10 174.58 3i7n s VAL 322 N -1.65 -0.05 -0.06 2.92 1.01 0.12 -1.20 120.40 121.48 3i7n s VAL 322 Ca 0.47 0.20 -0.22 0.00 0.00 0.00 0.00 61.98 62.43 3i7n s VAL 322 Cb -0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 3i7n s VAL 322 CO 0.20 0.08 0.65 0.12 0.00 0.00 0.00 175.10 176.16 3i7n s PHE 323 N 1.07 3.59 -0.46 5.22 5.36 -0.22 -0.43 117.98 132.12 3i7n s PHE 323 Ca -0.09 1.20 -0.07 0.00 -0.96 0.00 0.00 56.93 57.01 3i7n s PHE 323 Cb -0.12 -2.74 0.12 0.00 -0.34 0.00 0.00 43.02 39.94 3i7n s PHE 323 CO -0.04 0.15 0.30 0.08 -1.46 0.00 0.00 175.22 174.25 3i7n s VAL 324 N 0.59 3.91 -0.14 3.12 1.01 0.18 -2.22 120.40 126.84 3i7n s VAL 324 Ca 0.35 -1.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.13 3i7n s VAL 324 Cb -0.17 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 3i7n s VAL 324 CO 0.17 -0.75 1.23 -0.83 0.00 0.00 0.00 175.10 174.92 3i7n s GLY 325 N 2.36 1.77 0.04 4.51 0.00 0.30 -1.91 107.32 114.40 3i7n s GLY 325 Ca 0.07 0.48 0.08 0.00 0.00 0.00 0.00 44.72 45.34 3i7n s GLY 325 CO -0.02 2.40 -0.22 -0.45 0.00 0.00 0.00 173.10 174.81 3i7n s SER 326 N 1.79 2.59 -0.03 1.64 0.15 -1.26 -0.07 113.70 118.51 3i7n s SER 326 Ca 0.54 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.66 3i7n s SER 326 Cb -0.22 -0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 63.85 3i7n s SER 326 CO 0.16 0.18 -0.03 -1.14 1.20 0.00 0.00 173.24 173.61 3i7n n ARG 327 N 1.85 0.08 0.11 5.44 0.63 -1.26 -1.74 116.66 121.76 3i7n n ARG 327 Ca -0.17 0.02 0.13 0.00 -0.92 0.00 0.00 57.85 56.91 3i7n n ARG 327 Cb 0.53 -1.03 0.34 0.00 0.45 0.00 0.00 32.46 32.75 3i7n n ARG 327 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3i7n h LEU 328 N -0.01 0.00 0.00 6.15 3.38 -1.95 -3.35 115.31 119.53 3i7n h LEU 328 Ca -0.07 -0.03 -0.27 0.00 0.09 0.00 0.00 57.88 57.60 3i7n h LEU 328 Cb 1.10 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 3i7n h LEU 328 CO -0.01 0.02 -0.19 0.61 0.09 0.00 0.00 178.44 178.95 3i7n n GLY 329 N 1.29 2.55 3.77 0.83 0.00 -1.26 -2.75 105.19 109.62 3i7n n GLY 329 Ca 0.05 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 3i7n n GLY 329 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i7n s ASP 330 N -2.76 6.56 0.74 1.61 1.01 -1.26 -4.58 116.67 117.99 3i7n s ASP 330 Ca 0.25 2.84 -0.12 0.00 0.71 0.00 0.00 52.55 56.24 3i7n s ASP 330 Cb -0.00 -2.65 0.03 0.00 1.01 0.00 0.00 42.92 41.31 3i7n s ASP 330 CO 0.18 -0.71 1.12 -0.44 0.21 0.00 0.00 175.17 175.53 3i7n s SER 331 N -0.17 5.17 -0.02 0.27 0.01 0.35 -4.67 113.70 114.65 3i7n s SER 331 Ca 0.53 1.02 -0.27 0.00 1.31 0.00 0.00 55.95 58.54 3i7n s SER 331 Cb -0.43 -1.73 0.06 0.00 0.21 0.00 0.00 66.02 64.13 3i7n s SER 331 CO 0.55 -1.51 0.61 0.00 0.41 0.00 0.00 173.24 173.30 3i7n s GLN 332 N -5.42 1.03 -0.23 12.44 -2.07 -0.80 0.12 119.66 124.73 3i7n s GLN 332 Ca 0.59 0.08 -0.12 0.00 -1.82 0.00 0.00 55.36 54.09 3i7n s GLN 332 Cb -0.11 0.48 -0.05 0.00 -1.09 0.00 0.00 33.01 32.24 3i7n s GLN 332 CO 0.51 -0.34 0.23 -1.17 -1.32 0.00 0.00 175.29 173.20 3i7n s LEU 333 N -1.44 4.13 0.11 2.60 2.96 0.16 0.48 118.68 127.67 3i7n s LEU 333 Ca -0.10 0.23 0.05 0.00 -0.22 0.00 0.00 54.13 54.10 3i7n s LEU 333 Cb -0.01 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 3i7n s LEU 333 CO 0.06 0.02 -0.13 0.54 -1.32 0.00 0.00 176.35 175.52 3i7n s VAL 334 N 1.15 1.17 -0.08 1.68 0.11 0.43 -0.77 120.40 124.09 3i7n s VAL 334 Ca 0.11 -1.63 0.05 0.00 -2.93 0.00 0.00 61.98 57.57 3i7n s VAL 334 Cb -0.14 -1.41 -0.01 0.00 -1.53 0.00 0.00 36.38 33.30 3i7n s VAL 334 CO 0.06 -0.44 -0.23 -0.75 -3.33 0.00 0.00 175.10 170.41 3i7n s LYS 335 N -2.57 2.83 -0.16 1.54 2.47 -0.05 0.14 119.74 123.93 3i7n s LYS 335 Ca 0.06 -0.87 -0.07 0.00 -1.56 0.00 0.00 55.97 53.53 3i7n s LYS 335 Cb -0.05 -2.26 -0.04 0.00 -1.46 0.00 0.00 37.83 34.02 3i7n s LYS 335 CO 0.02 0.29 0.07 -0.51 0.16 0.00 0.00 175.35 175.37 3i7n s LEU 336 N 0.08 3.87 0.21 5.43 1.43 0.52 -0.54 118.68 129.68 3i7n s LEU 336 Ca -0.11 0.14 0.10 0.00 -1.03 0.00 0.00 54.13 53.23 3i7n s LEU 336 Cb -0.16 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 3i7n s LEU 336 CO 0.06 0.23 -0.18 0.20 0.23 0.00 0.00 176.35 176.89 3i7n s ASN 337 N 0.04 2.98 0.29 2.29 0.02 -0.67 -4.57 114.94 115.31 3i7n s ASN 337 Ca 0.06 -0.95 0.13 0.00 -1.02 0.00 0.00 52.86 51.08 3i7n s ASN 337 Cb -0.12 -0.20 0.38 0.00 0.02 0.00 0.00 41.25 41.33 3i7n s ASN 337 CO 0.01 -0.03 1.60 0.58 0.02 0.00 0.00 177.10 179.28 3i7n h VAL 338 N 2.82 1.25 -3.40 1.60 2.07 -2.00 -3.43 116.25 115.17 3i7n h VAL 338 Ca -0.41 -2.08 -0.65 0.00 0.82 0.00 0.00 66.70 64.38 3i7n h VAL 338 Cb 1.22 2.17 -0.21 0.00 -1.52 0.00 0.00 31.29 32.95 3i7n h VAL 338 CO 0.56 0.56 -0.68 -1.81 0.02 0.00 0.00 177.57 176.22 3i7n s ASP 339 N -6.67 4.70 0.65 0.57 1.01 -1.26 -5.08 116.67 110.60 3i7n s ASP 339 Ca -0.00 -0.11 -0.14 0.00 0.71 0.00 0.00 52.55 53.01 3i7n s ASP 339 Cb 0.11 -1.59 -0.01 0.00 1.01 0.00 0.00 42.92 42.45 3i7n s ASP 339 CO 0.74 0.23 1.07 -0.94 0.21 0.00 0.00 175.17 176.49 3i7n s SER 340 N -0.01 5.38 0.04 0.27 1.04 -1.26 -4.69 113.70 114.46 3i7n s SER 340 Ca 0.00 1.81 0.00 0.00 0.48 0.00 0.00 55.95 58.24 3i7n s SER 340 Cb -0.13 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.46 3i7n s SER 340 CO 0.03 -1.45 0.00 -0.46 0.98 0.00 0.00 173.24 172.34 3i7n n ASN 341 N -2.56 0.00 0.11 7.02 0.23 -0.40 -4.84 115.26 114.83 3i7n n ASN 341 Ca 0.09 -0.06 0.17 0.00 -0.53 0.00 0.00 54.58 54.25 3i7n n ASN 341 Cb 0.53 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.73 3i7n n ASN 341 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3i7n h GLU 342 N 0.00 0.00 0.00 -3.83 9.09 -1.98 -3.01 114.58 114.84 3i7n h GLU 342 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3i7n h GLU 342 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3i7n h GLU 342 CO 0.00 0.00 -0.65 0.94 0.05 0.00 0.00 179.01 179.35 3i7n n GLN 343 N -3.11 2.09 0.00 1.06 7.27 -1.26 -5.02 117.38 118.41 3i7n n GLN 343 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.15 3i7n n GLN 343 Cb 0.91 -0.81 0.00 0.00 2.41 0.00 0.00 30.24 32.75 3i7n n GLN 343 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i7n n GLY 344 N 1.84 0.82 2.85 1.69 0.00 -1.14 -5.15 105.19 106.11 3i7n n GLY 344 Ca 0.00 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 3i7n n GLY 344 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7n s SER 345 N -0.04 0.44 0.00 1.61 0.15 -1.26 -4.82 113.70 109.78 3i7n s SER 345 Ca 0.00 0.29 0.30 0.00 0.70 0.00 0.00 55.95 57.24 3i7n s SER 345 Cb 0.00 0.21 1.39 0.00 -1.71 0.00 0.00 66.02 65.90 3i7n s SER 345 CO 0.00 -0.21 1.94 -1.22 1.20 0.00 0.00 173.24 174.96 3i7n n TYR 346 N 4.88 0.00 -4.03 3.44 4.02 -0.58 -1.27 117.16 123.63 3i7n n TYR 346 Ca -0.13 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.41 3i7n n TYR 346 Cb 0.50 -0.09 -0.10 0.00 -0.02 0.00 0.00 39.34 39.63 3i7n n TYR 346 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3i7n s VAL 347 N -2.24 4.69 -0.11 -0.72 1.01 -1.14 -1.68 120.40 120.21 3i7n s VAL 347 Ca 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 3i7n s VAL 347 Cb 0.21 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.51 3i7n s VAL 347 CO 0.41 0.46 -0.04 -0.69 0.00 0.00 0.00 175.10 175.24 3i7n s VAL 348 N 0.42 0.81 0.35 2.92 1.01 0.29 -4.88 120.40 121.33 3i7n s VAL 348 Ca 0.02 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 3i7n s VAL 348 Cb -0.13 -0.93 -0.11 0.00 0.00 0.00 0.00 36.38 35.21 3i7n s VAL 348 CO 0.01 0.26 1.49 0.00 0.00 0.00 0.00 175.10 176.86 3i7n n ALA 349 N 5.00 2.26 -0.10 5.51 0.00 -1.26 -0.87 120.51 131.05 3i7n n ALA 349 Ca -0.11 0.35 -0.17 0.00 0.00 0.00 0.00 53.44 53.51 3i7n n ALA 349 Cb 0.49 -2.41 -0.08 0.00 0.00 0.00 0.00 19.45 17.46 3i7n n ALA 349 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i7n n MET 350 N 0.91 0.44 -3.83 0.00 2.81 -0.17 -4.85 117.12 112.42 3i7n n MET 350 Ca 0.04 0.15 -0.12 0.00 -1.81 0.00 0.00 57.70 55.96 3i7n n MET 350 Cb 0.38 -1.28 -0.10 0.00 -0.71 0.00 0.00 33.22 31.51 3i7n n MET 350 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3i7n s GLU 351 N -2.37 0.46 -0.11 0.03 2.12 0.05 -4.97 118.70 113.92 3i7n s GLU 351 Ca -0.26 -0.19 0.03 0.00 0.36 0.00 0.00 54.97 54.90 3i7n s GLU 351 Cb 0.09 0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.69 3i7n s GLU 351 CO 0.38 -0.11 -0.20 0.99 -0.54 0.00 0.00 175.26 175.79 3i7n s THR 352 N -1.01 1.81 -0.10 -1.70 2.01 -1.26 0.36 115.64 115.75 3i7n s THR 352 Ca -0.11 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.05 3i7n s THR 352 Cb -0.06 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 3i7n s THR 352 CO 0.02 0.50 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.97 3i7n s PHE 353 N 0.67 2.81 -0.11 4.92 0.40 0.33 -4.97 117.98 122.03 3i7n s PHE 353 Ca -0.12 -0.38 -0.30 0.00 -0.60 0.00 0.00 56.93 55.53 3i7n s PHE 353 Cb -0.16 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.57 3i7n s PHE 353 CO 0.03 -0.01 1.32 0.95 0.70 0.00 0.00 175.22 178.21 3i7n s THR 354 N -0.13 4.12 -0.37 0.64 -4.23 -1.26 -0.49 115.64 113.92 3i7n s THR 354 Ca -0.01 1.39 -0.06 0.00 -1.18 0.00 0.00 61.69 61.83 3i7n s THR 354 Cb -0.14 -3.90 0.06 0.00 1.34 0.00 0.00 72.50 69.87 3i7n s THR 354 CO 0.03 -0.09 0.16 0.21 -0.54 0.00 0.00 174.62 174.39 3i7n s ASN 355 N 2.05 5.36 0.00 3.99 2.47 -1.26 -4.85 114.94 122.70 3i7n s ASN 355 Ca 0.58 -1.40 0.03 0.00 0.42 0.00 0.00 52.86 52.50 3i7n s ASN 355 Cb -0.25 -1.88 0.18 0.00 -1.45 0.00 0.00 41.25 37.85 3i7n s ASN 355 CO 0.19 -0.42 0.78 0.18 -3.72 0.00 0.00 177.10 174.11 3i7n n LEU 356 N 4.79 0.00 0.00 3.21 4.77 -1.26 -4.54 117.00 123.97 3i7n n LEU 356 Ca -0.10 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3i7n n LEU 356 Cb 0.43 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3i7n n LEU 356 CO 0.33 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3i7n n GLY 357 N -0.88 -0.10 3.60 -0.72 0.00 -1.26 -3.33 105.19 102.50 3i7n n GLY 357 Ca 0.02 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 3i7n n GLY 357 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i7n s PRO 358 N 0.00 3.37 -0.52 1.61 0.02 -1.24 -2.08 135.00 136.16 3i7n s PRO 358 Ca 0.00 1.52 -0.27 0.00 0.02 0.00 0.00 61.00 62.27 3i7n s PRO 358 Cb 0.00 -4.20 -0.01 0.00 0.02 0.00 0.00 34.50 30.31 3i7n s PRO 358 CO 0.00 -1.81 1.67 0.42 -0.33 0.00 0.00 177.00 176.95 3i7n s ILE 359 N 6.83 3.55 -0.02 2.83 1.01 -1.06 -2.26 121.20 132.09 3i7n s ILE 359 Ca 0.81 0.46 0.12 0.00 0.00 0.00 0.00 60.65 62.04 3i7n s ILE 359 Cb -0.24 -4.05 -0.19 0.00 0.01 0.00 0.00 42.46 37.98 3i7n s ILE 359 CO 0.34 -0.88 0.89 0.58 0.00 0.00 0.00 174.94 175.87 3i7n h VAL 360 N 6.67 1.02 -2.57 2.92 2.07 -1.28 -3.41 116.25 121.67 3i7n h VAL 360 Ca -0.28 -2.75 0.06 0.00 0.82 0.00 0.00 66.70 64.55 3i7n h VAL 360 Cb 1.14 2.47 -0.13 0.00 -1.52 0.00 0.00 31.29 33.24 3i7n h VAL 360 CO 1.15 0.58 0.38 -0.62 0.02 0.00 0.00 177.57 179.08 3i7n s ASP 361 N -6.22 -0.43 0.32 0.57 3.68 -1.25 -4.75 116.67 108.59 3i7n s ASP 361 Ca -0.02 -0.04 -0.19 0.00 2.13 0.00 0.00 52.55 54.43 3i7n s ASP 361 Cb 0.09 0.48 0.03 0.00 -1.45 0.00 0.00 42.92 42.07 3i7n s ASP 361 CO 0.82 -0.79 0.75 0.00 0.13 0.00 0.00 175.17 176.08 3i7n s MET 362 N -3.39 1.96 -0.02 4.34 0.23 -1.26 -0.38 119.30 120.78 3i7n s MET 362 Ca 0.04 -1.16 -0.29 0.00 -1.03 0.00 0.00 55.69 53.25 3i7n s MET 362 Cb -0.01 0.61 0.08 0.00 -1.53 0.00 0.00 34.83 33.99 3i7n s MET 362 CO -0.09 -0.90 0.74 0.00 -2.03 0.00 0.00 175.02 172.74 3i7n s VAL 364 N -1.99 5.35 -0.23 0.00 1.01 -1.26 -0.93 120.40 122.33 3i7n s VAL 364 Ca -0.05 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 3i7n s VAL 364 Cb -0.00 -3.36 0.07 0.00 0.00 0.00 0.00 36.38 33.09 3i7n s VAL 364 CO 0.01 0.55 0.58 -0.69 0.00 0.00 0.00 175.10 175.55 3i7n s VAL 365 N -1.08 -0.01 -0.44 2.92 1.01 -0.68 -4.98 120.40 117.15 3i7n s VAL 365 Ca 0.17 0.03 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 3i7n s VAL 365 Cb -0.12 -0.84 0.05 0.00 0.00 0.00 0.00 36.38 35.47 3i7n s VAL 365 CO 0.07 0.01 0.33 1.51 0.00 0.00 0.00 175.10 177.03 3i7n s ASP 366 N 1.43 6.05 -0.18 3.32 -4.77 -1.26 0.06 116.67 121.33 3i7n s ASP 366 Ca -0.09 -1.16 -0.14 0.00 -3.30 0.00 0.00 52.55 47.86 3i7n s ASP 366 Cb -0.06 -2.14 -0.09 0.00 -1.09 0.00 0.00 42.92 39.53 3i7n s ASP 366 CO -0.15 -0.54 -0.10 0.18 0.70 0.00 0.00 175.17 175.25 3i7n n LEU 367 N 5.15 1.85 0.00 2.11 4.77 -1.26 -1.85 117.00 127.77 3i7n n LEU 367 Ca -0.12 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3i7n n LEU 367 Cb 0.45 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 3i7n n LEU 367 CO 0.43 -0.13 0.33 -0.62 -1.33 0.00 0.00 177.39 176.07 3i7n n GLU 368 N -4.51 0.00 -3.85 3.23 -0.58 -1.26 -4.83 120.64 108.85 3i7n n GLU 368 Ca -0.20 0.17 -0.31 0.00 -0.42 0.00 0.00 57.16 56.40 3i7n n GLU 368 Cb 0.48 -1.54 0.01 0.00 -0.57 0.00 0.00 31.44 29.83 3i7n n GLU 368 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3i7n n ARG 369 N -1.12 -1.96 0.00 3.49 0.63 -0.77 -4.94 116.66 111.99 3i7n n ARG 369 Ca 0.00 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 3i7n n ARG 369 Cb 0.04 -4.10 0.00 0.00 0.45 0.00 0.00 32.46 28.84 3i7n n ARG 369 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3i7n n GLN 370 N -4.38 0.00 -0.01 -0.14 6.02 -1.26 -5.04 117.38 112.57 3i7n n GLN 370 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.80 3i7n n GLN 370 Cb 0.63 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.89 3i7n n GLN 370 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i7n n GLY 371 N 3.32 0.10 3.69 1.08 0.00 -1.07 -5.05 105.19 107.25 3i7n n GLY 371 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3i7n n GLY 371 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3i7n s GLN 372 N 0.00 2.63 0.09 1.61 1.03 -1.24 -4.14 119.66 119.63 3i7n s GLN 372 Ca 0.00 -0.77 -0.20 0.00 0.04 0.00 0.00 55.36 54.43 3i7n s GLN 372 Cb 0.00 -2.58 -0.07 0.00 0.03 0.00 0.00 33.01 30.39 3i7n s GLN 372 CO 0.00 0.57 0.59 0.20 -2.54 0.00 0.00 175.29 174.11 3i7n s GLY 373 N -2.08 2.70 0.43 2.60 0.00 -1.12 -4.01 107.32 105.84 3i7n s GLY 373 Ca 0.24 0.07 0.01 0.00 0.00 0.00 0.00 44.72 45.04 3i7n s GLY 373 CO 0.16 0.50 0.63 1.20 0.00 0.00 0.00 173.10 175.60 3i7n s GLN 374 N -1.14 3.10 0.03 2.90 -1.52 0.11 -4.51 119.66 118.63 3i7n s GLN 374 Ca 0.30 -0.56 0.06 0.00 -1.95 0.00 0.00 55.36 53.21 3i7n s GLN 374 Cb -0.20 -2.60 -0.02 0.00 -0.22 0.00 0.00 33.01 29.97 3i7n s GLN 374 CO 0.20 -0.20 -0.17 -1.17 -0.25 0.00 0.00 175.29 173.71 3i7n s LEU 375 N -4.48 2.14 -0.20 2.90 2.96 0.82 -1.68 118.68 121.14 3i7n s LEU 375 Ca 0.47 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.91 3i7n s LEU 375 Cb -0.10 -0.77 0.06 0.00 0.50 0.00 0.00 46.19 45.88 3i7n s LEU 375 CO 0.37 0.11 0.03 -0.69 -1.32 0.00 0.00 176.35 174.85 3i7n s VAL 376 N -0.74 0.61 -0.09 1.68 1.01 -0.11 0.31 120.40 123.08 3i7n s VAL 376 Ca 0.05 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 3i7n s VAL 376 Cb -0.08 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 3i7n s VAL 376 CO 0.01 -0.21 0.01 0.42 0.00 0.00 0.00 175.10 175.33 3i7n s THR 377 N 1.82 4.36 -0.16 3.92 -4.23 -0.66 -1.40 115.64 119.29 3i7n s THR 377 Ca -0.01 -0.23 -0.29 0.00 -1.18 0.00 0.00 61.69 59.98 3i7n s THR 377 Cb -0.17 -2.84 -0.00 0.00 1.34 0.00 0.00 72.50 70.82 3i7n s THR 377 CO -0.08 0.60 1.04 0.00 -0.54 0.00 0.00 174.62 175.64 3i7n s SER 379 N 1.19 1.50 0.17 0.00 0.01 0.55 -0.79 113.70 116.33 3i7n s SER 379 Ca 0.47 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.88 3i7n s SER 379 Cb -0.17 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.06 3i7n s SER 379 CO 0.13 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.11 3i7n n GLY 380 N 0.42 -1.76 3.43 3.44 0.00 -0.96 -0.21 105.19 109.56 3i7n n GLY 380 Ca -0.15 -1.33 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 3i7n n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7n s ALA 381 N -1.17 -1.59 0.00 4.61 0.00 -1.11 -4.62 121.76 117.88 3i7n s ALA 381 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.43 3i7n s ALA 381 Cb 0.00 0.88 0.00 0.00 0.00 0.00 0.00 23.12 24.00 3i7n s ALA 381 CO 0.00 -0.78 0.00 1.19 0.00 0.00 0.00 175.76 176.17 3i7n n PHE 382 N -0.38 0.00 0.24 0.00 3.01 -1.26 -1.37 117.46 117.71 3i7n n PHE 382 Ca -0.17 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.44 3i7n n PHE 382 Cb 0.65 0.00 0.60 0.00 -0.01 0.00 0.00 39.48 40.72 3i7n n PHE 382 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3i7n h LYS 383 N 0.00 0.00 -0.01 -1.08 2.10 -1.86 0.27 116.57 115.99 3i7n h LYS 383 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i7n h LYS 383 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3i7n h LYS 383 CO 0.00 0.00 -0.13 0.39 -2.00 0.00 0.00 179.45 177.71 3i7n n GLU 384 N -2.99 1.40 -1.54 0.07 -0.58 -0.47 -3.78 120.64 112.74 3i7n n GLU 384 Ca 0.02 -0.89 -0.42 0.00 -0.42 0.00 0.00 57.16 55.45 3i7n n GLU 384 Cb 0.65 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 30.04 3i7n n GLU 384 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i7n n GLY 385 N 1.27 -0.76 3.72 0.62 0.00 0.95 -4.30 105.19 106.69 3i7n n GLY 385 Ca 0.15 0.13 -0.06 0.00 0.00 0.00 0.00 46.02 46.24 3i7n n GLY 385 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i7n s SER 386 N -0.82 -0.28 0.06 1.61 1.04 0.71 -1.56 113.70 114.46 3i7n s SER 386 Ca 0.63 -0.39 0.04 0.00 0.48 0.00 0.00 55.95 56.72 3i7n s SER 386 Cb -0.60 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 3i7n s SER 386 CO 0.57 -1.05 -0.03 -0.76 0.98 0.00 0.00 173.24 172.95 3i7n s LEU 387 N -2.86 3.32 -0.10 2.42 1.43 -0.70 -0.33 118.68 121.87 3i7n s LEU 387 Ca 0.10 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3i7n s LEU 387 Cb -0.03 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.18 3i7n s LEU 387 CO 0.01 0.21 -0.17 -0.13 0.23 0.00 0.00 176.35 176.50 3i7n s ARG 388 N -2.01 2.32 -0.24 1.70 1.81 -1.06 -0.65 118.95 120.82 3i7n s ARG 388 Ca 0.22 -0.61 -0.12 0.00 -1.72 0.00 0.00 55.73 53.51 3i7n s ARG 388 Cb -0.11 -1.90 -0.05 0.00 -0.45 0.00 0.00 34.95 32.44 3i7n s ARG 388 CO 0.14 0.00 0.22 0.42 -0.68 0.00 0.00 175.30 175.40 3i7n s ILE 389 N 0.79 5.31 -0.12 1.52 1.09 -0.74 -1.65 121.20 127.40 3i7n s ILE 389 Ca -0.11 0.29 0.02 0.00 -1.10 0.00 0.00 60.65 59.75 3i7n s ILE 389 Cb -0.16 -3.55 0.01 0.00 -1.06 0.00 0.00 42.46 37.70 3i7n s ILE 389 CO 0.01 0.30 -0.18 -0.63 -0.10 0.00 0.00 174.94 174.34 3i7n s ILE 390 N 1.31 1.71 -0.04 2.92 1.01 0.15 -0.58 121.20 127.69 3i7n s ILE 390 Ca 0.10 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 3i7n s ILE 390 Cb -0.14 -1.54 0.03 0.00 0.01 0.00 0.00 42.46 40.82 3i7n s ILE 390 CO 0.07 0.48 0.05 -0.60 0.00 0.00 0.00 174.94 174.94 3i7n s ARG 391 N 0.88 -0.02 0.30 2.79 3.00 0.09 -0.12 118.95 125.86 3i7n s ARG 391 Ca -0.08 0.31 -0.29 0.00 -1.00 0.00 0.00 55.73 54.67 3i7n s ARG 391 Cb -0.15 -0.47 -0.10 0.00 0.00 0.00 0.00 34.95 34.22 3i7n s ARG 391 CO -0.01 -0.29 1.31 1.21 0.00 0.00 0.00 175.30 177.53 3i7n s ASN 392 N 1.87 6.81 0.00 -2.12 2.47 -1.26 -0.07 114.94 122.64 3i7n s ASN 392 Ca 0.01 2.62 0.00 0.00 0.42 0.00 0.00 52.86 55.92 3i7n s ASN 392 Cb -0.12 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 37.04 3i7n s ASN 392 CO -0.03 -0.53 0.00 0.61 -3.72 0.00 0.00 177.10 173.43 3i7n n GLY 393 N 1.19 0.82 3.23 1.21 0.00 0.80 -4.88 105.19 107.56 3i7n n GLY 393 Ca 0.01 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 3i7n n GLY 393 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i7n s ILE 394 N -1.40 2.38 0.38 -0.61 1.01 0.19 -4.48 121.20 118.68 3i7n s ILE 394 Ca 0.00 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 59.85 3i7n s ILE 394 Cb 0.00 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 3i7n s ILE 394 CO 0.00 0.54 0.38 -0.83 0.00 0.00 0.00 174.94 175.03 3i7n s GLY 395 N 0.68 1.96 0.04 6.18 0.00 -1.26 0.15 107.32 115.07 3i7n s GLY 395 Ca -0.09 -1.75 0.03 0.00 0.00 0.00 0.00 44.72 42.90 3i7n s GLY 395 CO 0.02 -1.61 -0.09 -0.26 0.00 0.00 0.00 173.10 171.16 3i7n s ILE 396 N -2.38 0.62 -0.32 0.90 -5.25 -1.26 -2.55 121.20 110.96 3i7n s ILE 396 Ca 0.46 -1.02 -0.14 0.00 -0.99 0.00 0.00 60.65 58.97 3i7n s ILE 396 Cb -0.05 -0.65 -0.02 0.00 2.95 0.00 0.00 42.46 44.68 3i7n s ILE 396 CO 0.28 -0.30 0.29 -1.00 -1.79 0.00 0.00 174.94 172.42 3i7n s HIS 397 N -1.22 3.22 -0.14 1.37 3.76 -1.23 -5.00 115.29 116.05 3i7n s HIS 397 Ca -0.07 -0.01 -0.29 0.00 -0.15 0.00 0.00 55.06 54.53 3i7n s HIS 397 Cb -0.09 -2.54 -0.01 0.00 1.11 0.00 0.00 32.58 31.05 3i7n s HIS 397 CO 0.01 -0.33 1.01 -1.83 -0.85 0.00 0.00 174.74 172.74 3i7n s GLU 398 N 1.88 4.38 -0.21 1.40 -1.05 -1.26 -4.08 118.70 119.76 3i7n s GLU 398 Ca 0.09 1.37 0.00 0.00 -0.15 0.00 0.00 54.97 56.29 3i7n s GLU 398 Cb -0.17 -3.57 -0.13 0.00 -0.44 0.00 0.00 34.13 29.83 3i7n s GLU 398 CO 0.11 -0.39 -0.19 0.72 0.95 0.00 0.00 175.26 176.46 3i7n n HIS 399 N 5.34 0.00 -4.39 4.83 8.25 -1.02 -5.01 115.22 123.22 3i7n n HIS 399 Ca 0.09 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.36 3i7n n HIS 399 Cb 0.48 -0.79 -0.10 0.00 1.12 0.00 0.00 29.99 30.70 3i7n n HIS 399 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i7n s ALA 400 N -2.41 2.08 -0.44 -1.41 0.00 -1.26 -5.04 121.76 113.28 3i7n s ALA 400 Ca -0.28 -1.91 0.05 0.00 0.00 0.00 0.00 51.96 49.83 3i7n s ALA 400 Cb 0.08 0.57 0.18 0.00 0.00 0.00 0.00 23.12 23.95 3i7n s ALA 400 CO 0.46 -0.27 0.45 0.45 0.00 0.00 0.00 175.76 176.85 3i7n n SER 401 N -0.54 -1.29 -4.53 0.00 2.88 -1.26 -4.39 113.62 104.48 3i7n n SER 401 Ca -0.03 -2.52 -0.42 0.00 -1.33 0.00 0.00 58.87 54.57 3i7n n SER 401 Cb 0.65 0.07 -0.08 0.00 -0.75 0.00 0.00 64.21 64.10 3i7n n SER 401 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3i7n s ILE 402 N 0.26 5.07 -0.43 2.46 1.09 -1.20 -4.89 121.20 123.56 3i7n s ILE 402 Ca 0.32 0.07 -0.28 0.00 -1.10 0.00 0.00 60.65 59.67 3i7n s ILE 402 Cb 0.03 -3.95 -0.02 0.00 -1.06 0.00 0.00 42.46 37.45 3i7n s ILE 402 CO -0.16 -0.25 1.89 -1.81 -0.10 0.00 0.00 174.94 174.51 3i7n s ASP 403 N 1.78 5.56 -0.45 3.58 -0.00 -1.26 -0.70 116.67 125.17 3i7n s ASP 403 Ca 0.15 1.01 0.04 0.00 -0.00 0.00 0.00 52.55 53.76 3i7n s ASP 403 Cb -0.16 -2.52 0.17 0.00 -0.00 0.00 0.00 42.92 40.41 3i7n s ASP 403 CO 0.13 -2.03 0.36 -0.76 -0.00 0.00 0.00 175.17 172.88 3i7n s LEU 404 N 8.09 1.88 -0.51 1.23 1.43 -1.26 -4.87 118.68 124.66 3i7n s LEU 404 Ca 0.78 -3.19 -0.25 0.00 -1.03 0.00 0.00 54.13 50.45 3i7n s LEU 404 Cb -0.19 -0.60 -0.24 0.00 0.03 0.00 0.00 46.19 45.19 3i7n s LEU 404 CO 0.29 -0.16 1.81 -2.65 0.23 0.00 0.00 176.35 175.87 3i7n n PRO 405 N 2.71 0.97 0.06 1.29 -0.02 -1.26 -3.37 135.00 135.38 3i7n n PRO 405 Ca 0.29 -1.56 0.00 0.00 -2.02 0.00 0.00 63.50 60.21 3i7n n PRO 405 Cb 0.46 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 3i7n n PRO 405 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i7n n GLY 406 N 4.73 -1.12 0.00 -1.23 0.00 -1.25 -4.98 105.19 101.34 3i7n n GLY 406 Ca 0.49 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.85 3i7n n GLY 406 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i7n n ILE 407 N -2.83 0.00 -0.34 -0.61 5.41 -1.22 -4.54 119.36 115.22 3i7n n ILE 407 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.80 3i7n n ILE 407 Cb 0.00 0.00 0.12 0.00 -0.71 0.00 0.00 39.64 39.05 3i7n n ILE 407 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3i7n n LYS 408 N 0.00 2.74 0.00 0.38 4.76 0.06 -4.88 118.16 121.22 3i7n n LYS 408 Ca 0.00 -2.04 0.00 0.00 -2.87 0.00 0.00 58.31 53.40 3i7n n LYS 408 Cb 0.00 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 3i7n n LYS 408 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i7n n GLY 409 N -0.21 0.72 3.65 0.72 0.00 -1.23 -4.80 105.19 104.03 3i7n n GLY 409 Ca 0.10 -0.98 -0.03 0.00 0.00 0.00 0.00 46.02 45.11 3i7n n GLY 409 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i7n s LEU 410 N 0.00 -0.11 0.08 0.99 0.05 -1.26 -2.72 118.68 115.71 3i7n s LEU 410 Ca 0.00 0.20 0.06 0.00 0.05 0.00 0.00 54.13 54.44 3i7n s LEU 410 Cb 0.00 1.20 -0.03 0.00 -2.05 0.00 0.00 46.19 45.31 3i7n s LEU 410 CO 0.00 -0.03 -0.17 0.26 -0.55 0.00 0.00 176.35 175.86 3i7n s TRP 411 N 0.25 1.43 1.09 3.48 0.51 -1.00 -4.73 118.94 119.96 3i7n s TRP 411 Ca 0.04 -0.45 -0.16 0.00 -2.12 0.00 0.00 56.10 53.42 3i7n s TRP 411 Cb -0.05 -0.79 0.14 0.00 -0.81 0.00 0.00 33.47 31.97 3i7n s TRP 411 CO -0.14 0.11 0.41 -0.35 -0.51 0.00 0.00 176.95 176.47 3i7n n PRO 412 N 1.18 -1.53 -3.15 4.98 -0.04 -1.26 -3.52 135.00 131.66 3i7n n PRO 412 Ca -0.20 -0.42 0.04 0.00 -0.04 0.00 0.00 63.50 62.88 3i7n n PRO 412 Cb 0.54 -1.89 -0.00 0.00 -0.04 0.00 0.00 33.50 32.11 3i7n n PRO 412 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3i7n s LEU 413 N -3.11 -1.26 -0.36 1.53 2.96 -0.16 -4.73 118.68 113.55 3i7n s LEU 413 Ca 0.60 0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 54.32 3i7n s LEU 413 Cb -0.18 1.79 0.00 0.00 0.50 0.00 0.00 46.19 48.30 3i7n s LEU 413 CO 0.66 -0.23 1.40 0.00 -1.32 0.00 0.00 176.35 176.86 3i7n s ARG 414 N 2.81 3.69 0.08 1.98 1.70 -1.26 -0.29 118.95 127.65 3i7n s ARG 414 Ca 0.15 1.10 0.27 0.00 -0.47 0.00 0.00 55.73 56.78 3i7n s ARG 414 Cb -0.07 -3.99 0.97 0.00 -0.57 0.00 0.00 34.95 31.29 3i7n s ARG 414 CO -0.24 -1.42 1.79 0.45 -1.08 0.00 0.00 175.30 174.80 3i7n n SER 415 N 8.46 0.37 -4.23 -2.89 2.88 -1.26 -4.67 113.62 112.28 3i7n n SER 415 Ca 0.16 0.43 -0.34 0.00 -1.33 0.00 0.00 58.87 57.80 3i7n n SER 415 Cb 0.47 -0.48 -0.15 0.00 -0.75 0.00 0.00 64.21 63.30 3i7n n SER 415 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3i7n s ASP 416 N -3.60 3.71 0.00 -3.46 3.68 -1.26 -5.01 116.67 110.73 3i7n s ASP 416 Ca 0.12 -0.50 0.00 0.00 2.13 0.00 0.00 52.55 54.30 3i7n s ASP 416 Cb 0.16 -1.60 0.00 0.00 -1.45 0.00 0.00 42.92 40.03 3i7n s ASP 416 CO 0.58 0.02 0.28 -2.65 0.13 0.00 0.00 175.17 173.53 3i7n n PRO 417 N 4.52 0.28 0.00 4.34 -0.02 -1.26 -3.72 135.00 139.14 3i7n n PRO 417 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3i7n n PRO 417 Cb 0.51 -1.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.98 3i7n n PRO 417 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3i7n n ASN 418 N -0.46 0.00 -4.53 2.55 3.02 -1.26 -5.04 115.26 109.54 3i7n n ASN 418 Ca 0.00 0.00 -0.51 0.00 -0.03 0.00 0.00 54.58 54.04 3i7n n ASN 418 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.13 3i7n n ASN 418 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3i7n n ARG 419 N -1.12 0.70 0.00 3.52 1.85 -1.24 -4.85 116.66 115.51 3i7n n ARG 419 Ca 0.00 0.25 0.00 0.00 -1.00 0.00 0.00 57.85 57.10 3i7n n ARG 419 Cb 0.00 -1.65 0.00 0.00 -1.05 0.00 0.00 32.46 29.76 3i7n n ARG 419 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3i7n n GLU 420 N 1.55 0.93 -3.56 2.89 1.02 -1.26 -4.75 120.64 117.46 3i7n n GLU 420 Ca 0.17 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.96 3i7n n GLU 420 Cb 0.21 -1.00 -0.05 0.00 -0.02 0.00 0.00 31.44 30.58 3i7n n GLU 420 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3i7n s THR 421 N -2.00 5.08 0.06 2.62 -4.23 -1.26 -4.82 115.64 111.08 3i7n s THR 421 Ca 0.00 0.45 0.06 0.00 -1.18 0.00 0.00 61.69 61.02 3i7n s THR 421 Cb 0.00 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 3i7n s THR 421 CO 0.00 0.25 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.91 3i7n s TYR 422 N -1.44 2.73 0.00 3.99 1.51 -1.26 -4.47 117.35 118.41 3i7n s TYR 422 Ca 0.35 -0.15 0.00 0.00 -1.01 0.00 0.00 57.07 56.25 3i7n s TYR 422 Cb -0.14 -1.49 0.00 0.00 -0.11 0.00 0.00 41.96 40.22 3i7n s TYR 422 CO 0.19 0.36 0.96 -0.40 -1.11 0.00 0.00 175.55 175.55 3i7n n ASP 423 N 1.17 1.90 -4.04 2.29 3.85 0.61 -3.52 116.55 118.81 3i7n n ASP 423 Ca -0.15 -1.91 -0.15 0.00 -0.71 0.00 0.00 54.79 51.87 3i7n n ASP 423 Cb 0.52 0.00 -0.13 0.00 -1.35 0.00 0.00 41.12 40.17 3i7n n ASP 423 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3i7n s THR 424 N -0.91 0.59 -0.50 2.12 2.01 -0.11 0.82 115.64 119.66 3i7n s THR 424 Ca 0.00 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.24 3i7n s THR 424 Cb 0.00 -0.59 0.16 0.00 0.01 0.00 0.00 72.50 72.08 3i7n s THR 424 CO 0.00 -0.17 0.34 -0.22 -0.69 0.00 0.00 174.62 173.89 3i7n s LEU 425 N -1.06 2.71 0.16 4.42 2.96 -1.06 -0.99 118.68 125.83 3i7n s LEU 425 Ca -0.04 -3.10 -0.31 0.00 -0.22 0.00 0.00 54.13 50.46 3i7n s LEU 425 Cb -0.07 -0.94 -0.08 0.00 0.50 0.00 0.00 46.19 45.59 3i7n s LEU 425 CO 0.00 -0.18 1.36 -0.69 -1.32 0.00 0.00 176.35 175.52 3i7n s VAL 426 N -0.21 3.22 -0.06 1.68 1.01 -1.23 -4.16 120.40 120.65 3i7n s VAL 426 Ca 0.25 0.93 -0.01 0.00 0.00 0.00 0.00 61.98 63.16 3i7n s VAL 426 Cb -0.09 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.72 3i7n s VAL 426 CO -0.12 0.10 -0.00 -1.48 0.00 0.00 0.00 175.10 173.61 3i7n s LEU 427 N 0.51 0.76 0.49 3.92 0.05 -1.09 -2.38 118.68 120.94 3i7n s LEU 427 Ca 0.61 -0.06 -0.22 0.00 0.05 0.00 0.00 54.13 54.51 3i7n s LEU 427 Cb -0.37 -0.37 -0.09 0.00 -2.05 0.00 0.00 46.19 43.31 3i7n s LEU 427 CO 0.34 -0.16 0.94 -0.24 -0.55 0.00 0.00 176.35 176.68 3i7n n SER 428 N 4.82 0.86 -2.78 1.48 2.88 -1.10 -3.55 113.62 116.22 3i7n n SER 428 Ca -0.13 0.93 -0.15 0.00 -1.33 0.00 0.00 58.87 58.19 3i7n n SER 428 Cb 0.50 -1.35 -0.06 0.00 -0.75 0.00 0.00 64.21 62.56 3i7n n SER 428 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3i7n n PHE 429 N -1.01 -0.52 -0.53 0.66 -0.00 -1.09 -0.76 117.46 114.22 3i7n n PHE 429 Ca 0.11 -2.12 -0.32 0.00 -0.00 0.00 0.00 57.45 55.11 3i7n n PHE 429 Cb 0.43 0.19 -0.07 0.00 -0.00 0.00 0.00 39.48 40.03 3i7n n PHE 429 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3i7n n VAL 430 N -0.51 0.55 -2.63 -2.13 0.31 -1.26 -3.19 118.33 109.45 3i7n n VAL 430 Ca 0.05 -0.42 -0.06 0.00 -0.01 0.00 0.00 64.34 63.89 3i7n n VAL 430 Cb 0.46 -1.95 0.02 0.00 -0.91 0.00 0.00 33.84 31.45 3i7n n VAL 430 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i7n n GLY 431 N 4.57 0.44 0.73 2.92 0.00 -1.26 -5.04 105.19 107.55 3i7n n GLY 431 Ca 0.36 -0.48 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 3i7n n GLY 431 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i7n n GLN 432 N -1.70 0.16 -3.67 1.61 6.02 -1.19 -4.43 117.38 114.18 3i7n n GLN 432 Ca -0.01 -0.59 -0.08 0.00 -0.01 0.00 0.00 57.00 56.30 3i7n n GLN 432 Cb 0.53 0.58 -0.09 0.00 1.02 0.00 0.00 30.24 32.27 3i7n n GLN 432 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3i7n s THR 433 N -2.54 -0.33 -0.06 5.09 2.01 -0.92 -2.67 115.64 116.22 3i7n s THR 433 Ca 0.06 0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.14 3i7n s THR 433 Cb -0.00 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 3i7n s THR 433 CO 0.04 0.04 0.07 -0.13 -0.69 0.00 0.00 174.62 173.95 3i7n s ARG 434 N 2.00 3.11 0.32 4.92 1.81 -1.23 -4.42 118.95 125.46 3i7n s ARG 434 Ca -0.07 -0.39 0.02 0.00 -1.72 0.00 0.00 55.73 53.58 3i7n s ARG 434 Cb -0.09 -2.90 -0.03 0.00 -0.45 0.00 0.00 34.95 31.47 3i7n s ARG 434 CO -0.14 0.69 0.50 0.08 -0.68 0.00 0.00 175.30 175.75 3i7n s VAL 435 N -1.06 5.06 -0.38 3.52 1.01 -1.26 -2.68 120.40 124.61 3i7n s VAL 435 Ca 0.18 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3i7n s VAL 435 Cb -0.12 -3.83 0.16 0.00 0.00 0.00 0.00 36.38 32.59 3i7n s VAL 435 CO 0.08 -0.48 0.33 -0.76 0.00 0.00 0.00 175.10 174.27 3i7n s LEU 436 N -4.24 0.56 0.30 3.92 1.43 -1.26 -4.03 118.68 115.37 3i7n s LEU 436 Ca 0.39 -2.16 -0.29 0.00 -1.03 0.00 0.00 54.13 51.04 3i7n s LEU 436 Cb -0.09 0.07 -0.10 0.00 0.03 0.00 0.00 46.19 46.10 3i7n s LEU 436 CO 0.34 -0.24 1.21 -0.04 0.23 0.00 0.00 176.35 177.85 3i7n s MET 437 N 0.95 4.49 -0.04 1.70 -1.94 0.43 -2.55 119.30 122.34 3i7n s MET 437 Ca 0.22 2.02 0.07 0.00 -1.71 0.00 0.00 55.69 56.28 3i7n s MET 437 Cb -0.13 -3.13 -0.02 0.00 2.01 0.00 0.00 34.83 33.56 3i7n s MET 437 CO -0.05 0.00 -0.23 -0.51 -0.01 0.00 0.00 175.02 174.22 3i7n s LEU 438 N -1.60 2.21 -0.14 -0.03 1.43 0.24 -1.49 118.68 119.30 3i7n s LEU 438 Ca 0.47 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 3i7n s LEU 438 Cb -0.36 -1.40 0.17 0.00 0.03 0.00 0.00 46.19 44.64 3i7n s LEU 438 CO 0.47 0.31 1.45 -3.20 0.23 0.00 0.00 176.35 175.61 3i7n n ASN 439 N 2.53 3.94 0.00 2.29 4.05 -1.13 -4.87 115.26 122.08 3i7n n ASN 439 Ca -0.17 -2.54 0.00 0.00 0.45 0.00 0.00 54.58 52.33 3i7n n ASN 439 Cb 0.51 -0.72 0.00 0.00 1.23 0.00 0.00 39.78 40.80 3i7n n ASN 439 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i7n n GLY 440 N 0.25 1.93 0.04 8.20 0.00 -1.26 -4.39 105.19 109.95 3i7n n GLY 440 Ca 0.17 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3i7n n GLY 440 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i7n n GLU 441 N 0.00 1.11 -1.30 1.61 0.28 -1.26 -3.93 120.64 117.15 3i7n n GLU 441 Ca 0.00 -0.07 -0.30 0.00 -0.16 0.00 0.00 57.16 56.63 3i7n n GLU 441 Cb 0.00 -1.35 0.11 0.00 1.43 0.00 0.00 31.44 31.62 3i7n n GLU 441 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3i7n s GLU 442 N -2.68 1.91 -0.03 3.44 2.02 -1.26 -5.06 118.70 117.05 3i7n s GLU 442 Ca -0.06 0.95 0.07 0.00 0.02 0.00 0.00 54.97 55.95 3i7n s GLU 442 Cb 0.07 -1.87 -0.02 0.00 0.10 0.00 0.00 34.13 32.41 3i7n s GLU 442 CO 0.59 -1.82 -0.25 0.08 0.02 0.00 0.00 175.26 173.88 3i7n s VAL 443 N -2.96 1.98 -0.22 2.63 1.01 -1.26 -2.83 120.40 118.75 3i7n s VAL 443 Ca 0.62 -1.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 3i7n s VAL 443 Cb -0.17 -1.65 0.08 0.00 0.00 0.00 0.00 36.38 34.64 3i7n s VAL 443 CO 0.56 0.56 0.53 -0.70 0.00 0.00 0.00 175.10 176.05 3i7n s GLU 444 N -0.51 0.50 -0.38 2.72 2.12 -0.56 -4.96 118.70 117.64 3i7n s GLU 444 Ca 0.07 1.05 -0.15 0.00 0.36 0.00 0.00 54.97 56.30 3i7n s GLU 444 Cb -0.10 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.49 3i7n s GLU 444 CO -0.00 -0.18 0.32 -1.83 -0.54 0.00 0.00 175.26 173.03 3i7n s GLU 445 N 1.88 3.26 0.21 4.30 -1.05 -1.26 -0.43 118.70 125.61 3i7n s GLU 445 Ca -0.08 -0.75 0.02 0.00 -0.15 0.00 0.00 54.97 54.01 3i7n s GLU 445 Cb -0.08 -3.89 -0.01 0.00 -0.44 0.00 0.00 34.13 29.70 3i7n s GLU 445 CO -0.16 -0.64 0.07 0.25 0.95 0.00 0.00 175.26 175.74 3i7n n THR 446 N 5.21 0.00 -1.42 1.83 -2.24 -1.26 -5.00 114.28 111.40 3i7n n THR 446 Ca -0.10 -1.21 -0.30 0.00 -2.27 0.00 0.00 64.05 60.17 3i7n n THR 446 Cb 0.48 0.42 0.20 0.00 -2.10 0.00 0.00 70.33 69.34 3i7n n THR 446 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3i7n s GLU 447 N -2.80 -0.22 -0.28 -0.78 -1.05 -1.26 -4.21 118.70 108.11 3i7n s GLU 447 Ca 0.10 -0.10 -0.22 0.00 -0.15 0.00 0.00 54.97 54.60 3i7n s GLU 447 Cb 0.00 -1.72 0.09 0.00 -0.44 0.00 0.00 34.13 32.07 3i7n s GLU 447 CO 0.07 -3.04 0.82 -1.17 0.95 0.00 0.00 175.26 172.89 3i7n s LEU 448 N -6.45 -0.70 0.33 1.83 2.96 -1.26 -4.97 118.68 110.41 3i7n s LEU 448 Ca 0.71 1.25 -0.28 0.00 -0.22 0.00 0.00 54.13 55.58 3i7n s LEU 448 Cb -0.09 2.22 -0.12 0.00 0.50 0.00 0.00 46.19 48.70 3i7n s LEU 448 CO 0.55 -0.21 1.33 0.23 -1.32 0.00 0.00 176.35 176.93 3i7n n MET 449 N 3.11 2.17 -1.88 1.98 2.81 -1.26 -2.40 117.12 121.65 3i7n n MET 449 Ca -0.16 0.76 -0.17 0.00 -1.81 0.00 0.00 57.70 56.33 3i7n n MET 449 Cb 0.57 -2.37 -0.04 0.00 -0.71 0.00 0.00 33.22 30.66 3i7n n MET 449 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i7n n GLY 450 N 0.98 0.71 2.87 3.03 0.00 -1.17 -4.70 105.19 106.91 3i7n n GLY 450 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3i7n n GLY 450 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i7n s PHE 451 N -2.59 2.63 0.20 1.61 0.40 -1.01 -4.45 117.98 114.77 3i7n s PHE 451 Ca 0.00 -2.26 -0.31 0.00 -0.60 0.00 0.00 56.93 53.76 3i7n s PHE 451 Cb 0.00 -2.20 -0.10 0.00 0.51 0.00 0.00 43.02 41.23 3i7n s PHE 451 CO 0.00 -0.90 1.51 0.14 0.70 0.00 0.00 175.22 176.67 3i7n s VAL 452 N 1.30 2.64 -0.15 -0.44 -7.23 -1.26 -4.63 120.40 110.62 3i7n s VAL 452 Ca 0.09 0.49 0.20 0.00 -1.81 0.00 0.00 61.98 60.94 3i7n s VAL 452 Cb -0.18 -3.31 -0.13 0.00 0.56 0.00 0.00 36.38 33.32 3i7n s VAL 452 CO -0.16 0.06 0.80 -0.90 -0.31 0.00 0.00 175.10 174.58 3i7n n ASP 453 N 3.18 0.67 0.11 4.85 5.68 -1.26 -4.12 116.55 125.67 3i7n n ASP 453 Ca 0.10 0.28 -0.02 0.00 -0.50 0.00 0.00 54.79 54.66 3i7n n ASP 453 Cb 0.39 0.58 0.04 0.00 -1.14 0.00 0.00 41.12 40.99 3i7n n ASP 453 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3i7n h ASP 454 N 0.00 0.00 -2.18 -1.12 -0.00 -1.91 -3.12 116.42 108.09 3i7n h ASP 454 Ca -0.11 0.00 -0.45 0.00 -0.00 0.00 0.00 57.03 56.46 3i7n h ASP 454 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.68 3i7n h ASP 454 CO 0.02 0.72 -0.34 -1.10 -0.00 0.00 0.00 179.24 178.54 3i7n s GLN 455 N -3.09 3.30 -0.78 4.15 -1.52 -1.26 -4.54 119.66 115.93 3i7n s GLN 455 Ca 0.01 -0.77 -0.15 0.00 -1.95 0.00 0.00 55.36 52.50 3i7n s GLN 455 Cb 0.10 -2.81 0.18 0.00 -0.22 0.00 0.00 33.01 30.27 3i7n s GLN 455 CO 0.77 0.21 0.78 -1.14 -0.25 0.00 0.00 175.29 175.66 3i7n s GLN 456 N -4.14 3.47 0.16 2.91 0.74 -1.25 -2.16 119.66 119.39 3i7n s GLN 456 Ca 0.40 -2.15 -0.33 0.00 0.05 0.00 0.00 55.36 53.33 3i7n s GLN 456 Cb -0.09 -4.47 -0.16 0.00 1.10 0.00 0.00 33.01 29.39 3i7n s GLN 456 CO 0.31 -1.39 1.23 2.41 -0.55 0.00 0.00 175.29 177.30 3i7n n THR 457 N 4.52 0.71 -0.40 -0.34 -1.04 -1.22 -2.30 114.28 114.21 3i7n n THR 457 Ca 0.09 -0.18 0.04 0.00 -2.04 0.00 0.00 64.05 61.97 3i7n n THR 457 Cb 0.46 -0.91 0.06 0.00 -1.82 0.00 0.00 70.33 68.12 3i7n n THR 457 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3i7n n PHE 458 N 1.77 0.05 0.00 -1.42 3.72 0.20 -4.25 117.46 117.52 3i7n n PHE 458 Ca 0.15 -0.68 0.00 0.00 -0.05 0.00 0.00 57.45 56.87 3i7n n PHE 458 Cb 0.24 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 3i7n n PHE 458 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3i7n n PHE 459 N -0.77 0.00 -0.62 1.38 7.35 -1.18 -4.68 117.46 118.94 3i7n n PHE 459 Ca 0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 3i7n n PHE 459 Cb 0.41 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.24 3i7n n PHE 459 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3i7n n GLY 461 N 0.00 0.00 2.68 0.00 0.00 -1.26 -4.72 105.19 101.88 3i7n n GLY 461 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3i7n n GLY 461 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i7n n ASN 462 N 0.00 4.14 -4.68 1.61 5.03 -1.26 -4.57 115.26 115.53 3i7n n ASN 462 Ca 0.00 -3.37 -0.42 0.00 0.87 0.00 0.00 54.58 51.66 3i7n n ASN 462 Cb 0.00 -0.83 -0.03 0.00 -1.02 0.00 0.00 39.78 37.91 3i7n n ASN 462 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3i7n s VAL 463 N -2.24 3.85 1.20 2.41 -7.23 -1.26 -4.51 120.40 112.63 3i7n s VAL 463 Ca 0.35 1.14 -0.17 0.00 -1.81 0.00 0.00 61.98 61.49 3i7n s VAL 463 Cb 0.08 -3.74 0.28 0.00 0.56 0.00 0.00 36.38 33.56 3i7n s VAL 463 CO -0.03 -0.05 1.06 0.00 -0.31 0.00 0.00 175.10 175.77 3i7n s ALA 464 N 3.01 0.22 0.00 1.32 0.00 -0.42 -3.33 121.76 122.56 3i7n s ALA 464 Ca 0.63 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.91 3i7n s ALA 464 Cb -0.29 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3i7n s ALA 464 CO 0.24 -3.69 0.00 0.72 0.00 0.00 0.00 175.76 173.03 3i7n n HIS 465 N -4.85 0.00 -3.62 0.00 8.25 -1.26 -4.11 115.22 109.64 3i7n n HIS 465 Ca 0.10 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.32 3i7n n HIS 465 Cb 0.58 -0.89 0.04 0.00 1.12 0.00 0.00 29.99 30.84 3i7n n HIS 465 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3i7n n GLN 466 N -0.81 -3.25 -4.06 -0.41 6.02 -1.26 -4.72 117.38 108.88 3i7n n GLN 466 Ca 0.00 0.61 -0.11 0.00 -0.01 0.00 0.00 57.00 57.49 3i7n n GLN 466 Cb 0.45 -4.96 -0.11 0.00 1.02 0.00 0.00 30.24 26.64 3i7n n GLN 466 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3i7n s GLN 467 N -5.70 0.53 -0.16 -1.09 -0.21 -1.21 -0.31 119.66 111.50 3i7n s GLN 467 Ca 0.23 -0.87 0.01 0.00 0.02 0.00 0.00 55.36 54.74 3i7n s GLN 467 Cb -0.06 -0.10 0.02 0.00 1.00 0.00 0.00 33.01 33.87 3i7n s GLN 467 CO 0.82 -0.01 -0.17 -0.51 -2.12 0.00 0.00 175.29 173.29 3i7n s LEU 468 N -1.97 1.91 0.24 2.90 1.43 0.63 -4.04 118.68 119.78 3i7n s LEU 468 Ca -0.06 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 52.43 3i7n s LEU 468 Cb -0.05 -1.33 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 3i7n s LEU 468 CO -0.02 -0.03 0.48 -0.51 0.23 0.00 0.00 176.35 176.50 3i7n s ILE 469 N 1.39 5.09 -0.41 -0.59 2.07 -1.26 -2.30 121.20 125.18 3i7n s ILE 469 Ca 0.05 -0.02 0.04 0.00 -1.41 0.00 0.00 60.65 59.31 3i7n s ILE 469 Cb -0.13 -3.70 0.17 0.00 0.13 0.00 0.00 42.46 38.92 3i7n s ILE 469 CO -0.12 -0.20 0.39 -1.58 -1.91 0.00 0.00 174.94 171.52 3i7n s GLN 470 N -3.27 0.84 0.16 3.50 0.74 -1.26 -4.29 119.66 116.08 3i7n s GLN 470 Ca 0.42 -1.65 -0.31 0.00 0.05 0.00 0.00 55.36 53.88 3i7n s GLN 470 Cb -0.11 -1.07 -0.09 0.00 1.10 0.00 0.00 33.01 32.84 3i7n s GLN 470 CO 0.28 -1.33 1.45 0.42 -0.55 0.00 0.00 175.29 175.56 3i7n s ILE 471 N 0.53 2.95 0.34 -2.34 1.01 -1.12 -3.44 121.20 119.14 3i7n s ILE 471 Ca 0.28 0.71 0.00 0.00 0.00 0.00 0.00 60.65 61.65 3i7n s ILE 471 Cb -0.03 -3.45 -0.00 0.00 0.01 0.00 0.00 42.46 38.98 3i7n s ILE 471 CO -0.12 0.07 0.02 1.07 0.00 0.00 0.00 174.94 175.98 3i7n n THR 472 N 3.56 0.00 -0.18 2.92 5.66 -1.26 0.58 114.28 125.56 3i7n n THR 472 Ca 0.11 -1.65 -0.12 0.00 -3.05 0.00 0.00 64.05 59.34 3i7n n THR 472 Cb 0.41 0.37 -0.09 0.00 -1.55 0.00 0.00 70.33 69.47 3i7n n THR 472 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3i7n h SER 473 N 0.88 -1.75 0.00 1.09 0.02 -1.78 -3.31 113.55 108.70 3i7n h SER 473 Ca -0.28 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3i7n h SER 473 Cb 0.87 0.73 0.00 0.00 0.14 0.00 0.00 62.40 64.14 3i7n h SER 473 CO 0.46 -0.33 0.00 0.00 -1.14 0.00 0.00 176.83 175.82 3i7n n ALA 474 N -3.09 0.00 -2.88 3.77 0.00 -1.26 -1.99 120.51 115.06 3i7n n ALA 474 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 3i7n n ALA 474 Cb 0.29 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.67 3i7n n ALA 474 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i7n s SER 475 N -2.17 -0.07 -0.71 0.00 1.04 -1.25 -2.35 113.70 108.19 3i7n s SER 475 Ca 0.00 -0.35 -0.27 0.00 0.48 0.00 0.00 55.95 55.82 3i7n s SER 475 Cb 0.00 0.37 -0.14 0.00 0.10 0.00 0.00 66.02 66.35 3i7n s SER 475 CO 0.00 -0.68 2.50 0.55 0.98 0.00 0.00 173.24 176.58 3i7n n VAL 476 N 0.28 -0.05 -1.07 5.02 3.14 -1.26 -4.02 118.33 120.37 3i7n n VAL 476 Ca -0.17 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.41 3i7n n VAL 476 Cb 0.61 -1.84 0.23 0.00 -1.06 0.00 0.00 33.84 31.78 3i7n n VAL 476 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3i7n s ARG 477 N 8.51 -0.99 -0.15 1.45 0.52 -1.22 -1.13 118.95 125.93 3i7n s ARG 477 Ca 1.12 0.04 -0.14 0.00 -0.52 0.00 0.00 55.73 56.23 3i7n s ARG 477 Cb -0.56 -1.61 0.04 0.00 0.52 0.00 0.00 34.95 33.34 3i7n s ARG 477 CO 0.34 -3.58 0.41 -1.17 0.02 0.00 0.00 175.30 171.31 3i7n s LEU 478 N -6.89 0.38 0.00 2.53 2.96 -0.97 -4.22 118.68 112.47 3i7n s LEU 478 Ca 0.70 0.83 -0.04 0.00 -0.22 0.00 0.00 54.13 55.39 3i7n s LEU 478 Cb -0.12 1.39 -0.00 0.00 0.50 0.00 0.00 46.19 47.96 3i7n s LEU 478 CO 0.56 -0.15 0.08 -0.69 -1.32 0.00 0.00 176.35 174.84 3i7n s VAL 479 N 0.36 0.08 0.42 1.68 1.01 -0.97 -2.00 120.40 120.97 3i7n s VAL 479 Ca -0.01 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.41 3i7n s VAL 479 Cb -0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 3i7n s VAL 479 CO -0.01 -0.35 0.35 -0.44 0.00 0.00 0.00 175.10 174.65 3i7n s SER 480 N -1.15 4.92 -0.15 3.32 0.01 -1.26 -0.27 113.70 119.12 3i7n s SER 480 Ca -0.12 -0.83 -0.18 0.00 1.31 0.00 0.00 55.95 56.12 3i7n s SER 480 Cb -0.07 -0.49 -0.24 0.00 0.21 0.00 0.00 66.02 65.43 3i7n s SER 480 CO 0.01 -0.67 0.41 1.56 0.41 0.00 0.00 173.24 174.96 3i7n h GLN 481 N 1.07 0.13 0.00 12.44 1.08 -1.01 -2.65 115.11 126.17 3i7n h GLN 481 Ca -0.41 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 56.57 3i7n h GLN 481 Cb 1.27 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.78 3i7n h GLN 481 CO 0.59 1.10 0.00 0.39 -0.95 0.00 0.00 178.83 179.97 3i7n n GLU 482 N -4.13 0.00 -0.08 1.46 -0.58 -1.26 -4.27 120.64 111.78 3i7n n GLU 482 Ca -0.27 0.11 -0.07 0.00 -0.42 0.00 0.00 57.16 56.51 3i7n n GLU 482 Cb 0.79 -0.92 -0.00 0.00 -0.57 0.00 0.00 31.44 30.74 3i7n n GLU 482 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3i7n h PRO 483 N 0.00 0.08 -5.87 3.49 0.11 -1.92 -3.48 132.00 124.41 3i7n h PRO 483 Ca 0.00 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.93 3i7n h PRO 483 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 3i7n h PRO 483 CO 0.00 0.05 -0.45 1.17 -0.21 0.00 0.00 178.00 178.56 3i7n n LYS 484 N -5.17 -1.50 0.00 1.05 3.00 -1.00 -4.85 118.16 109.69 3i7n n LYS 484 Ca -0.00 1.30 0.00 0.00 -0.00 0.00 0.00 58.31 59.61 3i7n n LYS 484 Cb 0.15 -4.45 0.00 0.00 0.00 0.00 0.00 35.03 30.73 3i7n n LYS 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i7n n ALA 485 N -1.87 0.00 -3.38 3.14 0.00 -1.26 -4.82 120.51 112.31 3i7n n ALA 485 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 3i7n n ALA 485 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 3i7n n ALA 485 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i7n n LEU 486 N 0.00 4.48 0.03 0.00 7.94 -1.26 -3.04 117.00 125.15 3i7n n LEU 486 Ca 0.00 -5.32 -0.13 0.00 -1.11 0.00 0.00 56.01 49.45 3i7n n LEU 486 Cb 0.00 -0.90 -0.09 0.00 0.53 0.00 0.00 43.42 42.96 3i7n n LEU 486 CO 0.00 1.86 0.71 0.58 -1.11 0.00 0.00 177.39 179.43 3i7n h VAL 487 N 3.47 1.16 -1.62 1.96 2.07 -1.76 -3.47 116.25 118.06 3i7n h VAL 487 Ca 0.19 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3i7n h VAL 487 Cb 0.68 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3i7n h VAL 487 CO 0.96 0.17 0.00 -0.24 0.02 0.00 0.00 177.57 178.48 3i7n n SER 488 N -4.98 0.00 0.00 0.57 2.88 -1.25 -4.85 113.62 105.99 3i7n n SER 488 Ca -0.08 -0.62 0.00 0.00 -1.33 0.00 0.00 58.87 56.83 3i7n n SER 488 Cb 0.18 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 3i7n n SER 488 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3i7n n GLU 489 N 0.00 0.00 -1.35 -1.46 2.13 -1.26 -2.30 120.64 116.40 3i7n n GLU 489 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 3i7n n GLU 489 Cb 0.00 0.00 0.13 0.00 0.27 0.00 0.00 31.44 31.84 3i7n n GLU 489 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 3i7n s TRP 490 N 0.00 2.44 -0.28 4.31 -0.00 -0.29 -4.97 118.94 120.15 3i7n s TRP 490 Ca 0.00 1.09 -0.19 0.00 -0.00 0.00 0.00 56.10 57.00 3i7n s TRP 490 Cb 0.00 -3.22 0.11 0.00 -0.00 0.00 0.00 33.47 30.36 3i7n s TRP 490 CO 0.00 -2.35 0.87 0.21 -0.00 0.00 0.00 176.95 175.68 3i7n s LYS 491 N -5.07 0.56 0.11 5.86 2.47 -1.26 -4.35 119.74 118.07 3i7n s LYS 491 Ca 0.63 0.87 -0.31 0.00 -1.56 0.00 0.00 55.97 55.60 3i7n s LYS 491 Cb -0.17 0.17 -0.09 0.00 -1.46 0.00 0.00 37.83 36.28 3i7n s LYS 491 CO 0.56 -0.10 1.71 -2.00 0.16 0.00 0.00 175.35 175.67 3i7n s GLU 492 N 1.11 4.17 0.00 4.03 -6.30 -1.26 -4.78 118.70 115.67 3i7n s GLU 492 Ca -0.06 2.44 0.00 0.00 -2.50 0.00 0.00 54.97 54.85 3i7n s GLU 492 Cb -0.04 -3.51 0.00 0.00 0.00 0.00 0.00 34.13 30.57 3i7n s GLU 492 CO -0.13 -0.76 0.00 -2.30 0.02 0.00 0.00 175.26 172.09 3i7n n PRO 493 N 5.33 0.00 0.00 4.30 -0.02 -1.26 -0.55 135.00 142.81 3i7n n PRO 493 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3i7n n PRO 493 Cb 0.39 -0.83 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 3i7n n PRO 493 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i7n n GLN 494 N 0.20 0.00 -3.09 -0.52 1.13 -1.26 -5.03 117.38 108.81 3i7n n GLN 494 Ca 0.00 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.92 3i7n n GLN 494 Cb 0.00 -0.14 0.06 0.00 0.11 0.00 0.00 30.24 30.27 3i7n n GLN 494 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i7n n ALA 495 N 0.00 -1.18 -2.42 -1.58 0.00 0.29 -5.07 120.51 110.55 3i7n n ALA 495 Ca 0.00 0.09 -0.30 0.00 0.00 0.00 0.00 53.44 53.23 3i7n n ALA 495 Cb 0.19 -2.70 -0.13 0.00 0.00 0.00 0.00 19.45 16.81 3i7n n ALA 495 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i7n s LYS 496 N -5.33 1.89 1.06 0.00 1.02 -1.26 -5.07 119.74 112.05 3i7n s LYS 496 Ca 0.17 -1.08 -0.14 0.00 0.02 0.00 0.00 55.97 54.94 3i7n s LYS 496 Cb -0.07 -2.09 0.22 0.00 -0.52 0.00 0.00 37.83 35.36 3i7n s LYS 496 CO 0.50 0.52 1.10 -0.80 -0.92 0.00 0.00 175.35 175.74 3i7n s ASN 497 N -1.54 2.12 -0.19 2.83 0.01 -1.26 -4.46 114.94 112.45 3i7n s ASN 497 Ca 0.14 1.04 -0.17 0.00 -0.71 0.00 0.00 52.86 53.16 3i7n s ASN 497 Cb -0.10 -1.61 -0.04 0.00 0.41 0.00 0.00 41.25 39.91 3i7n s ASN 497 CO 0.05 -3.43 0.44 -0.63 -1.51 0.00 0.00 177.10 172.02 3i7n s ILE 498 N -2.97 5.17 -0.14 0.60 1.01 -0.84 -4.55 121.20 119.48 3i7n s ILE 498 Ca 0.67 0.81 -0.19 0.00 0.00 0.00 0.00 60.65 61.94 3i7n s ILE 498 Cb -0.17 -3.77 -0.16 0.00 0.01 0.00 0.00 42.46 38.37 3i7n s ILE 498 CO 0.57 0.24 0.40 0.77 0.00 0.00 0.00 174.94 176.92 3i7n h SER 499 N 7.30 0.00 -3.19 3.58 4.64 -1.05 -3.46 113.55 121.37 3i7n h SER 499 Ca -0.36 -0.58 -0.60 0.00 -0.47 0.00 0.00 61.79 59.78 3i7n h SER 499 Cb 1.16 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.90 3i7n h SER 499 CO 0.73 0.93 -0.84 -0.69 -0.87 0.00 0.00 176.83 176.09 3i7n s VAL 500 N -2.07 1.59 0.36 0.95 1.01 -1.22 -4.99 120.40 116.03 3i7n s VAL 500 Ca -0.15 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 3i7n s VAL 500 Cb -0.00 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 3i7n s VAL 500 CO 0.46 0.46 0.62 0.00 0.00 0.00 0.00 175.10 176.63 3i7n s ALA 501 N 1.20 3.58 0.23 5.51 0.00 -1.26 -1.48 121.76 129.53 3i7n s ALA 501 Ca -0.01 -0.63 -0.20 0.00 0.00 0.00 0.00 51.96 51.12 3i7n s ALA 501 Cb -0.14 -2.33 0.03 0.00 0.00 0.00 0.00 23.12 20.68 3i7n s ALA 501 CO -0.06 0.01 0.62 -1.12 0.00 0.00 0.00 175.76 175.22 3i7n s SER 502 N -3.64 -0.31 0.00 0.00 0.01 -1.25 -4.77 113.70 103.74 3i7n s SER 502 Ca 0.44 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.24 3i7n s SER 502 Cb -0.10 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.78 3i7n s SER 502 CO 0.35 -1.17 0.00 0.00 0.41 0.00 0.00 173.24 172.83 3i7n n ASN 504 N 0.00 0.42 -0.02 0.00 0.23 -1.20 -4.92 115.26 109.76 3i7n n ASN 504 Ca 0.00 0.07 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 3i7n n ASN 504 Cb 0.00 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.28 3i7n n ASN 504 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 3i7n n SER 505 N -2.91 0.00 0.00 0.53 2.88 -1.26 -4.22 113.62 108.63 3i7n n SER 505 Ca -0.02 -0.61 0.00 0.00 -1.33 0.00 0.00 58.87 56.90 3i7n n SER 505 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 3i7n n SER 505 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3i7n n SER 506 N 0.00 0.00 -4.98 -3.46 7.64 -1.26 -1.31 113.62 110.25 3i7n n SER 506 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 3i7n n SER 506 Cb 0.31 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 3i7n n SER 506 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3i7n s GLN 507 N -1.08 3.09 -0.10 1.43 -0.21 -1.26 -4.13 119.66 117.39 3i7n s GLN 507 Ca 0.00 -0.89 -0.04 0.00 0.02 0.00 0.00 55.36 54.46 3i7n s GLN 507 Cb 0.00 -2.75 0.05 0.00 1.00 0.00 0.00 33.01 31.31 3i7n s GLN 507 CO 0.00 -0.04 0.19 0.08 -2.12 0.00 0.00 175.29 173.40 3i7n s VAL 508 N -2.28 -0.31 -0.46 1.09 1.01 -1.02 -3.28 120.40 115.16 3i7n s VAL 508 Ca 0.46 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.80 3i7n s VAL 508 Cb -0.10 -0.34 0.16 0.00 0.00 0.00 0.00 36.38 36.10 3i7n s VAL 508 CO 0.33 0.14 0.34 -0.69 0.00 0.00 0.00 175.10 175.21 3i7n s VAL 509 N 2.33 0.93 0.67 2.92 1.01 -1.24 -1.22 120.40 125.81 3i7n s VAL 509 Ca 0.03 -2.80 -0.11 0.00 0.00 0.00 0.00 61.98 59.09 3i7n s VAL 509 Cb -0.12 -1.64 0.16 0.00 0.00 0.00 0.00 36.38 34.77 3i7n s VAL 509 CO -0.07 -1.11 0.85 1.33 0.00 0.00 0.00 175.10 176.10 3i7n n VAL 510 N 2.95 0.00 -3.83 2.92 0.24 -1.26 -3.76 118.33 115.59 3i7n n VAL 510 Ca 0.22 -0.60 -0.12 0.00 -2.04 0.00 0.00 64.34 61.81 3i7n n VAL 510 Cb 0.42 -1.60 -0.09 0.00 -1.47 0.00 0.00 33.84 31.09 3i7n n VAL 510 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i7n s ALA 511 N -3.84 -0.49 -0.14 2.33 0.00 -0.55 -3.95 121.76 115.12 3i7n s ALA 511 Ca 0.49 0.04 0.16 0.00 0.00 0.00 0.00 51.96 52.65 3i7n s ALA 511 Cb -0.02 0.09 -0.23 0.00 0.00 0.00 0.00 23.12 22.96 3i7n s ALA 511 CO 0.35 -0.23 0.14 0.28 0.00 0.00 0.00 175.76 176.30 3i7n n VAL 512 N 1.41 0.93 0.00 0.00 0.31 -1.11 -0.54 118.33 119.33 3i7n n VAL 512 Ca -0.22 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.44 3i7n n VAL 512 Cb 0.56 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 3i7n n VAL 512 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i7n n GLY 513 N 1.83 -2.19 0.55 2.92 0.00 -1.26 -4.52 105.19 102.52 3i7n n GLY 513 Ca -0.23 0.79 0.10 0.00 0.00 0.00 0.00 46.02 46.68 3i7n n GLY 513 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7n n ARG 514 N 0.00 1.51 -3.00 1.61 1.74 -1.26 -0.25 116.66 117.00 3i7n n ARG 514 Ca 0.00 -1.14 -0.31 0.00 -0.77 0.00 0.00 57.85 55.63 3i7n n ARG 514 Cb 0.00 -1.42 -0.04 0.00 -1.02 0.00 0.00 32.46 29.98 3i7n n ARG 514 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i7n s ALA 515 N -2.20 3.36 -0.33 7.54 0.00 -1.26 -0.56 121.76 128.31 3i7n s ALA 515 Ca 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.02 3i7n s ALA 515 Cb 0.17 -2.70 0.13 0.00 0.00 0.00 0.00 23.12 20.72 3i7n s ALA 515 CO 0.47 0.15 0.22 -0.51 0.00 0.00 0.00 175.76 176.09 3i7n s LEU 516 N -3.46 0.58 0.00 0.00 1.43 0.26 -2.74 118.68 114.75 3i7n s LEU 516 Ca 0.52 -1.73 0.00 0.00 -1.03 0.00 0.00 54.13 51.89 3i7n s LEU 516 Cb -0.10 -0.15 0.00 0.00 0.03 0.00 0.00 46.19 45.97 3i7n s LEU 516 CO 0.26 -0.34 0.00 -1.22 0.23 0.00 0.00 176.35 175.27 3i7n n TYR 517 N 4.50 -0.06 0.00 0.29 4.02 -1.25 -1.82 117.16 122.83 3i7n n TYR 517 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 3i7n n TYR 517 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 3i7n n TYR 517 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 3i7n n TYR 518 N -0.06 0.00 -4.34 -0.72 -0.00 -1.24 -4.65 117.16 106.15 3i7n n TYR 518 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.72 3i7n n TYR 518 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.24 3i7n n TYR 518 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3i7n s LEU 519 N 0.00 2.27 -0.01 2.98 1.43 -0.36 -1.17 118.68 123.81 3i7n s LEU 519 Ca 0.00 -1.20 0.02 0.00 -1.03 0.00 0.00 54.13 51.92 3i7n s LEU 519 Cb 0.00 -0.34 -0.00 0.00 0.03 0.00 0.00 46.19 45.87 3i7n s LEU 519 CO 0.00 -0.47 -0.08 -1.10 0.23 0.00 0.00 176.35 174.93 3i7n s GLN 520 N -3.83 0.69 -0.95 1.70 -0.21 -0.27 -2.43 119.66 114.36 3i7n s GLN 520 Ca 0.28 -0.27 -0.05 0.00 0.02 0.00 0.00 55.36 55.34 3i7n s GLN 520 Cb 0.05 -0.66 0.06 0.00 1.00 0.00 0.00 33.01 33.46 3i7n s GLN 520 CO 0.09 0.14 2.65 -0.89 -2.12 0.00 0.00 175.29 175.16 3i7n n ILE 521 N 3.04 4.35 -1.01 1.08 2.08 -1.26 -1.48 119.36 126.15 3i7n n ILE 521 Ca -0.15 -3.53 -0.31 0.00 0.56 0.00 0.00 62.75 59.32 3i7n n ILE 521 Cb 0.56 -1.94 0.12 0.00 -0.75 0.00 0.00 39.64 37.64 3i7n n ILE 521 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 3i7n s HIS 522 N -0.96 2.16 -0.90 1.39 3.76 -0.63 -4.54 115.29 115.57 3i7n s HIS 522 Ca 0.58 1.66 -0.20 0.00 -0.15 0.00 0.00 55.06 56.95 3i7n s HIS 522 Cb 0.26 -3.18 -0.24 0.00 1.11 0.00 0.00 32.58 30.54 3i7n s HIS 522 CO -0.13 -2.24 2.39 -2.30 -0.85 0.00 0.00 174.74 171.60 3i7n n PRO 523 N -3.83 0.23 -0.85 8.40 -0.02 -1.26 0.09 135.00 137.76 3i7n n PRO 523 Ca 0.10 -0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3i7n n PRO 523 Cb 0.53 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3i7n n PRO 523 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i7n n GLN 524 N 7.37 0.00 -3.62 -0.52 6.02 -1.26 -5.03 117.38 120.34 3i7n n GLN 524 Ca 0.60 0.04 -0.15 0.00 -0.01 0.00 0.00 57.00 57.48 3i7n n GLN 524 Cb 0.21 -2.64 -0.07 0.00 1.02 0.00 0.00 30.24 28.77 3i7n n GLN 524 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3i7n s GLU 525 N -0.30 0.85 -0.46 -1.09 4.04 0.11 -4.49 118.70 117.37 3i7n s GLU 525 Ca 0.00 0.80 -0.23 0.00 0.04 0.00 0.00 54.97 55.58 3i7n s GLU 525 Cb 0.00 0.41 0.03 0.00 0.02 0.00 0.00 34.13 34.59 3i7n s GLU 525 CO 0.00 -0.14 0.79 -0.51 -1.84 0.00 0.00 175.26 173.56 3i7n s LEU 526 N 0.03 4.25 -0.12 1.83 1.43 -1.24 -1.60 118.68 123.26 3i7n s LEU 526 Ca -0.02 -0.14 -0.06 0.00 -1.03 0.00 0.00 54.13 52.87 3i7n s LEU 526 Cb -0.04 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 3i7n s LEU 526 CO 0.03 -0.94 0.11 -0.60 0.23 0.00 0.00 176.35 175.18 3i7n s ARG 527 N 3.33 3.45 0.50 1.70 3.52 -0.55 -4.81 118.95 126.10 3i7n s ARG 527 Ca 0.30 -0.20 -0.11 0.00 -0.13 0.00 0.00 55.73 55.59 3i7n s ARG 527 Cb -0.12 -3.14 -0.06 0.00 -1.56 0.00 0.00 34.95 30.07 3i7n s ARG 527 CO 0.22 0.69 0.88 -1.14 -0.81 0.00 0.00 175.30 175.15 3i7n s GLN 528 N -0.80 3.72 0.00 5.12 0.74 -1.26 -1.11 119.66 126.07 3i7n s GLN 528 Ca 0.13 0.58 0.00 0.00 0.05 0.00 0.00 55.36 56.13 3i7n s GLN 528 Cb -0.12 -2.26 0.00 0.00 1.10 0.00 0.00 33.01 31.74 3i7n s GLN 528 CO 0.03 -0.26 0.00 -0.89 -0.55 0.00 0.00 175.29 173.62 3i7n n ILE 529 N -1.93 0.00 -3.61 -2.34 5.41 -0.32 -4.96 119.36 111.61 3i7n n ILE 529 Ca 0.04 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.55 3i7n n ILE 529 Cb 0.54 -0.16 0.01 0.00 -0.71 0.00 0.00 39.64 39.33 3i7n n ILE 529 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3i7n s SER 530 N 0.97 4.81 -0.29 4.38 0.01 -1.26 -4.96 113.70 117.36 3i7n s SER 530 Ca 0.00 -1.08 -0.15 0.00 1.31 0.00 0.00 55.95 56.03 3i7n s SER 530 Cb 0.00 0.27 0.13 0.00 0.21 0.00 0.00 66.02 66.63 3i7n s SER 530 CO 0.00 -1.12 0.88 -2.28 0.41 0.00 0.00 173.24 171.13 3i7n s HIS 531 N -2.71 -0.76 0.04 2.43 2.46 -1.23 -3.62 115.29 111.90 3i7n s HIS 531 Ca 0.43 1.48 -0.10 0.00 0.47 0.00 0.00 55.06 57.34 3i7n s HIS 531 Cb -0.03 0.46 0.01 0.00 -0.13 0.00 0.00 32.58 32.88 3i7n s HIS 531 CO 0.27 -0.38 0.21 0.99 -2.47 0.00 0.00 174.74 173.36 3i7n s THR 532 N 1.65 0.11 0.06 0.89 2.01 -0.76 -4.94 115.64 114.65 3i7n s THR 532 Ca -0.08 -0.87 0.08 0.00 0.31 0.00 0.00 61.69 61.12 3i7n s THR 532 Cb -0.05 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 3i7n s THR 532 CO -0.17 -0.48 -0.21 -1.61 -0.69 0.00 0.00 174.62 171.46 3i7n s GLU 533 N -2.60 1.91 0.16 4.92 2.02 -1.26 0.89 118.70 124.74 3i7n s GLU 533 Ca -0.05 -1.07 0.11 0.00 0.02 0.00 0.00 54.97 53.99 3i7n s GLU 533 Cb -0.01 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 3i7n s GLU 533 CO -0.04 0.52 -0.25 -1.64 0.02 0.00 0.00 175.26 173.87 3i7n s MET 534 N -1.51 1.48 0.16 1.61 -1.94 0.28 -4.98 119.30 114.40 3i7n s MET 534 Ca 0.14 -1.44 -0.07 0.00 -1.71 0.00 0.00 55.69 52.62 3i7n s MET 534 Cb -0.10 -1.88 0.24 0.00 2.01 0.00 0.00 34.83 35.09 3i7n s MET 534 CO 0.05 0.42 0.97 0.39 -0.01 0.00 0.00 175.02 176.84 3i7n n GLU 535 N 0.56 -0.09 -4.38 2.03 -0.58 -1.26 -4.71 120.64 112.21 3i7n n GLU 535 Ca -0.15 0.97 -0.23 0.00 -0.42 0.00 0.00 57.16 57.33 3i7n n GLU 535 Cb 0.55 -1.44 -0.08 0.00 -0.57 0.00 0.00 31.44 29.90 3i7n n GLU 535 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3i7n n HIS 536 N -4.98 -0.32 -1.98 -0.32 8.25 -1.26 -5.08 115.22 109.52 3i7n n HIS 536 Ca 0.09 -2.78 -0.42 0.00 -0.26 0.00 0.00 57.72 54.34 3i7n n HIS 536 Cb 0.29 0.14 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 3i7n n HIS 536 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3i7n s GLU 537 N -3.50 4.22 0.05 -0.41 2.02 -1.26 -4.42 118.70 115.39 3i7n s GLU 537 Ca 0.31 2.27 -0.30 0.00 0.02 0.00 0.00 54.97 57.26 3i7n s GLU 537 Cb 0.01 -3.53 -0.09 0.00 0.10 0.00 0.00 34.13 30.63 3i7n s GLU 537 CO 0.22 -0.68 1.95 0.08 0.02 0.00 0.00 175.26 176.84 3i7n s VAL 538 N 2.36 2.95 -0.14 2.63 1.01 0.65 -0.18 120.40 129.68 3i7n s VAL 538 Ca 0.71 0.03 -0.28 0.00 0.00 0.00 0.00 61.98 62.45 3i7n s VAL 538 Cb -0.39 -3.02 -0.25 0.00 0.00 0.00 0.00 36.38 32.72 3i7n s VAL 538 CO 0.31 -0.00 0.73 0.00 0.00 0.00 0.00 175.10 176.14 3i7n h ALA 539 N 10.30 0.01 -2.65 5.51 0.00 0.27 -3.45 119.26 129.25 3i7n h ALA 539 Ca -0.49 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 53.88 3i7n h ALA 539 Cb 1.23 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.89 3i7n h ALA 539 CO 0.94 0.02 0.09 0.00 0.00 0.00 0.00 179.25 180.30 3i7n s LEU 541 N -2.26 2.13 -0.03 0.00 1.43 -1.26 -2.61 118.68 116.07 3i7n s LEU 541 Ca -0.03 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 3i7n s LEU 541 Cb -0.00 -0.02 0.02 0.00 0.03 0.00 0.00 46.19 46.22 3i7n s LEU 541 CO -0.06 -0.13 0.05 -0.62 0.23 0.00 0.00 176.35 175.83 3i7n s ASP 542 N -0.79 0.00 -0.14 2.29 2.15 -1.24 -4.84 116.67 114.10 3i7n s ASP 542 Ca -0.07 0.10 -0.06 0.00 0.43 0.00 0.00 52.55 52.95 3i7n s ASP 542 Cb -0.05 0.02 0.07 0.00 -0.30 0.00 0.00 42.92 42.65 3i7n s ASP 542 CO -0.00 -0.10 0.31 0.27 -0.17 0.00 0.00 175.17 175.48 3i7n s ILE 543 N 0.79 -0.35 -0.11 4.11 -4.36 -1.26 -4.37 121.20 115.65 3i7n s ILE 543 Ca -0.06 0.21 -0.05 0.00 -0.26 0.00 0.00 60.65 60.49 3i7n s ILE 543 Cb -0.09 -0.50 0.05 0.00 1.25 0.00 0.00 42.46 43.17 3i7n s ILE 543 CO -0.03 0.09 0.24 -0.89 0.24 0.00 0.00 174.94 174.59 3i7n s THR 544 N 2.12 -0.24 -0.53 8.37 2.01 -1.26 -4.43 115.64 121.67 3i7n s THR 544 Ca -0.03 0.23 -0.27 0.00 0.31 0.00 0.00 61.69 61.93 3i7n s THR 544 Cb -0.11 -0.40 -0.09 0.00 0.01 0.00 0.00 72.50 71.91 3i7n s THR 544 CO -0.10 0.10 2.43 -0.81 -0.69 0.00 0.00 174.62 175.55 3i7n n PRO 545 N 4.87 0.97 0.00 4.92 -0.04 -1.26 -4.88 135.00 139.57 3i7n n PRO 545 Ca -0.14 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 3i7n n PRO 545 Cb 0.51 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 3i7n n PRO 545 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3i7n n LEU 546 N 14.42 0.29 0.07 1.53 4.32 -1.26 -4.78 117.00 131.60 3i7n n LEU 546 Ca 0.41 0.66 0.00 0.00 -0.02 0.00 0.00 56.01 57.06 3i7n n LEU 546 Cb 0.44 -0.25 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 3i7n n LEU 546 CO 0.74 -0.25 0.00 0.61 -1.22 0.00 0.00 177.39 177.27 3i7n n GLY 547 N -0.16 -0.14 1.74 -0.72 0.00 -1.26 -4.86 105.19 99.80 3i7n n GLY 547 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3i7n n GLY 547 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i7n n ASP 548 N -3.29 5.72 -3.33 1.61 3.85 -1.26 -4.73 116.55 115.13 3i7n n ASP 548 Ca 0.00 -2.86 -0.08 0.00 -0.71 0.00 0.00 54.79 51.14 3i7n n ASP 548 Cb 0.00 -1.00 -0.07 0.00 -1.35 0.00 0.00 41.12 38.70 3i7n n ASP 548 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3i7n s SER 549 N 0.53 0.18 -0.90 -1.12 1.04 -1.26 -5.09 113.70 107.08 3i7n s SER 549 Ca 0.23 0.15 -0.24 0.00 0.48 0.00 0.00 55.95 56.57 3i7n s SER 549 Cb 0.18 1.17 0.01 0.00 0.10 0.00 0.00 66.02 67.49 3i7n s SER 549 CO 0.00 -0.31 1.63 0.20 0.98 0.00 0.00 173.24 175.75 3i7n s ASN 550 N 2.56 5.88 0.00 7.02 0.01 -1.26 -4.45 114.94 124.70 3i7n s ASN 550 Ca 0.13 -0.87 0.00 0.00 -0.71 0.00 0.00 52.86 51.41 3i7n s ASN 550 Cb -0.15 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 38.95 3i7n s ASN 550 CO -0.19 -2.05 0.00 0.61 -1.51 0.00 0.00 177.10 173.97 3i7n n GLY 551 N 6.54 1.58 3.74 0.66 0.00 -1.26 -4.95 105.19 111.49 3i7n n GLY 551 Ca 0.30 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3i7n n GLY 551 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i7n s LEU 552 N 0.00 4.50 -0.17 0.99 2.96 -1.26 -4.36 118.68 121.35 3i7n s LEU 552 Ca 0.00 2.03 -0.02 0.00 -0.22 0.00 0.00 54.13 55.92 3i7n s LEU 552 Cb 0.00 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 3i7n s LEU 552 CO 0.00 -0.17 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.23 3i7n s SER 553 N -0.17 4.29 0.00 3.68 0.15 -1.26 -4.67 113.70 115.71 3i7n s SER 553 Ca 0.48 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.83 3i7n s SER 553 Cb -0.28 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 3i7n s SER 553 CO 0.34 0.11 0.00 -2.65 1.20 0.00 0.00 173.24 172.24 3i7n n PRO 554 N 3.94 2.41 -0.70 5.44 -0.02 -1.26 -4.89 135.00 139.91 3i7n n PRO 554 Ca -0.18 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.00 3i7n n PRO 554 Cb 0.52 0.00 0.26 0.00 -0.02 0.00 0.00 33.50 34.26 3i7n n PRO 554 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3i7n s LEU 555 N 0.00 0.06 0.15 2.45 2.34 -1.26 -4.47 118.68 117.95 3i7n s LEU 555 Ca 0.00 0.94 -0.04 0.00 0.06 0.00 0.00 54.13 55.09 3i7n s LEU 555 Cb 0.00 -2.62 -0.03 0.00 -0.56 0.00 0.00 46.19 42.98 3i7n s LEU 555 CO 0.00 -4.56 0.15 0.00 -1.06 0.00 0.00 176.35 170.88 3i7n s ALA 557 N -4.03 -0.58 -0.14 0.00 0.00 -1.26 0.21 121.76 115.96 3i7n s ALA 557 Ca 0.23 -0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.84 3i7n s ALA 557 Cb 0.06 0.28 0.07 0.00 0.00 0.00 0.00 23.12 23.53 3i7n s ALA 557 CO 0.03 -0.38 0.70 -1.50 0.00 0.00 0.00 175.76 174.61 3i7n s ILE 558 N -2.43 0.00 -0.05 0.00 2.07 -1.11 -3.63 121.20 116.05 3i7n s ILE 558 Ca -0.06 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.21 3i7n s ILE 558 Cb -0.01 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.55 3i7n s ILE 558 CO -0.03 0.00 -0.13 -0.83 -1.91 0.00 0.00 174.94 172.05 3i7n s GLY 559 N -0.57 1.57 0.41 1.50 0.00 -1.07 -1.83 107.32 107.33 3i7n s GLY 559 Ca -0.07 -0.96 0.07 0.00 0.00 0.00 0.00 44.72 43.77 3i7n s GLY 559 CO 0.06 -0.74 0.12 1.08 0.00 0.00 0.00 173.10 173.62 3i7n s LEU 560 N -0.75 3.03 -0.11 0.66 1.43 -0.69 0.91 118.68 123.17 3i7n s LEU 560 Ca 0.12 -1.18 0.17 0.00 -1.03 0.00 0.00 54.13 52.21 3i7n s LEU 560 Cb -0.11 -1.25 0.70 0.00 0.03 0.00 0.00 46.19 45.56 3i7n s LEU 560 CO 0.01 -0.51 1.60 0.79 0.23 0.00 0.00 176.35 178.47 3i7n n TRP 561 N -1.15 1.46 0.00 0.29 7.02 0.74 -3.60 117.44 122.21 3i7n n TRP 561 Ca -0.02 -0.58 0.00 0.00 -1.02 0.00 0.00 57.50 55.88 3i7n n TRP 561 Cb 0.65 -0.25 0.00 0.00 -2.42 0.00 0.00 31.31 29.30 3i7n n TRP 561 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 3i7n n THR 562 N 1.08 0.00 -3.70 -0.99 -1.04 -1.26 -4.88 114.28 103.48 3i7n n THR 562 Ca 0.25 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.88 3i7n n THR 562 Cb 0.87 -0.71 -0.11 0.00 -1.82 0.00 0.00 70.33 68.56 3i7n n THR 562 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 3i7n s ASP 563 N -2.71 5.41 -0.63 8.00 -4.77 -1.26 -5.01 116.67 115.70 3i7n s ASP 563 Ca 0.00 -1.66 -0.23 0.00 -3.30 0.00 0.00 52.55 47.37 3i7n s ASP 563 Cb 0.00 -1.90 0.06 0.00 -1.09 0.00 0.00 42.92 40.00 3i7n s ASP 563 CO 0.00 -0.51 0.94 -0.63 0.70 0.00 0.00 175.17 175.67 3i7n s ILE 564 N 1.31 4.37 0.05 2.11 1.01 -1.26 -4.50 121.20 124.28 3i7n s ILE 564 Ca 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 3i7n s ILE 564 Cb -0.23 -4.63 -0.04 0.00 0.01 0.00 0.00 42.46 37.58 3i7n s ILE 564 CO -0.01 -1.35 -0.03 -0.94 0.00 0.00 0.00 174.94 172.62 3i7n s SER 565 N 3.45 0.46 -0.02 3.58 1.04 -1.24 -2.36 113.70 118.62 3i7n s SER 565 Ca 0.23 -0.92 0.05 0.00 0.48 0.00 0.00 55.95 55.79 3i7n s SER 565 Cb -0.16 0.18 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 3i7n s SER 565 CO 0.12 -0.55 -0.17 0.00 0.98 0.00 0.00 173.24 173.62 3i7n s ALA 566 N -3.52 1.45 0.04 5.32 0.00 -1.06 -1.70 121.76 122.30 3i7n s ALA 566 Ca 0.03 -0.71 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 3i7n s ALA 566 Cb 0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 3i7n s ALA 566 CO -0.08 0.32 0.05 -0.98 0.00 0.00 0.00 175.76 175.07 3i7n s ARG 567 N -0.23 0.55 -0.18 0.00 3.03 -0.76 -0.77 118.95 120.59 3i7n s ARG 567 Ca 0.03 -0.83 -0.08 0.00 2.03 0.00 0.00 55.73 56.88 3i7n s ARG 567 Cb -0.08 0.21 -0.04 0.00 -1.03 0.00 0.00 34.95 34.00 3i7n s ARG 567 CO 0.00 -0.13 0.10 0.42 -1.13 0.00 0.00 175.30 174.56 3i7n s ILE 568 N -2.72 5.10 0.29 4.99 -1.09 -0.23 -2.73 121.20 124.81 3i7n s ILE 568 Ca -0.04 0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.46 3i7n s ILE 568 Cb -0.01 -3.29 -0.02 0.00 -1.58 0.00 0.00 42.46 37.56 3i7n s ILE 568 CO -0.05 0.48 0.30 -0.76 -1.23 0.00 0.00 174.94 173.68 3i7n s LEU 569 N 0.15 1.27 0.00 2.97 1.02 0.57 0.71 118.68 125.36 3i7n s LEU 569 Ca 0.07 -1.51 0.00 0.00 0.02 0.00 0.00 54.13 52.70 3i7n s LEU 569 Cb -0.12 0.84 0.00 0.00 0.02 0.00 0.00 46.19 46.94 3i7n s LEU 569 CO -0.00 -1.07 0.00 1.17 0.02 0.00 0.00 176.35 176.47 3i7n n LYS 570 N -0.49 3.59 0.00 1.70 4.81 -1.09 0.15 118.16 126.83 3i7n n LYS 570 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 3i7n n LYS 570 Cb 0.63 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.68 3i7n n LYS 570 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3i7n n LEU 571 N 0.00 0.00 0.12 3.14 7.94 -1.26 -4.14 117.00 122.79 3i7n n LEU 571 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 3i7n n LEU 571 Cb 0.00 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.04 3i7n n LEU 571 CO 0.00 0.00 0.40 -0.65 -1.11 0.00 0.00 177.39 176.03 3i7n h PRO 572 N 0.00 0.00 -0.27 1.96 0.11 -1.95 -3.29 132.00 128.56 3i7n h PRO 572 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 3i7n h PRO 572 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3i7n h PRO 572 CO 0.00 0.71 -0.46 0.66 -0.21 0.00 0.00 178.00 178.70 3i7n h SER 573 N 0.00 0.88 -0.48 -2.05 4.64 -2.00 -3.43 113.55 111.10 3i7n h SER 573 Ca -0.01 -0.53 -0.21 0.00 -0.47 0.00 0.00 61.79 60.58 3i7n h SER 573 Cb 1.29 -0.25 -0.08 0.00 -0.31 0.00 0.00 62.40 63.04 3i7n h SER 573 CO 0.09 1.24 -0.19 0.49 -0.87 0.00 0.00 176.83 177.59 3i7n n PHE 574 N -4.11 0.00 -1.66 4.77 3.01 -1.24 -4.96 117.46 113.27 3i7n n PHE 574 Ca -0.05 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.98 3i7n n PHE 574 Cb 0.58 -2.04 -0.03 0.00 -0.01 0.00 0.00 39.48 37.98 3i7n n PHE 574 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 3i7n n GLU 575 N -2.39 2.69 -2.44 -1.08 0.28 -1.26 -4.56 120.64 111.88 3i7n n GLU 575 Ca -0.10 0.98 -0.41 0.00 -0.16 0.00 0.00 57.16 57.47 3i7n n GLU 575 Cb 0.37 -2.94 -0.03 0.00 1.43 0.00 0.00 31.44 30.26 3i7n n GLU 575 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 3i7n s LEU 576 N 4.55 4.44 0.00 -1.84 1.98 -1.26 -2.67 118.68 123.88 3i7n s LEU 576 Ca 0.90 2.10 0.00 0.00 -2.89 0.00 0.00 54.13 54.25 3i7n s LEU 576 Cb -0.49 -3.60 0.00 0.00 0.66 0.00 0.00 46.19 42.77 3i7n s LEU 576 CO 0.44 -0.35 0.00 0.18 -1.89 0.00 0.00 176.35 174.73 3i7n n LEU 577 N 2.94 0.00 -4.78 -0.68 4.32 0.22 -4.98 117.00 114.04 3i7n n LEU 577 Ca 0.05 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.75 3i7n n LEU 577 Cb 0.46 0.00 0.12 0.00 -1.62 0.00 0.00 43.42 42.38 3i7n n LEU 577 CO 0.55 0.00 0.70 -2.28 -1.22 0.00 0.00 177.39 175.14 3i7n s HIS 578 N 3.78 2.60 0.00 -1.77 5.65 -1.26 -4.83 115.29 119.46 3i7n s HIS 578 Ca 0.00 1.06 0.00 0.00 0.25 0.00 0.00 55.06 56.37 3i7n s HIS 578 Cb 0.00 -3.22 0.00 0.00 -1.18 0.00 0.00 32.58 28.18 3i7n s HIS 578 CO 0.00 -2.13 0.00 0.36 -0.65 0.00 0.00 174.74 172.32 3i7n n LYS 579 N -3.66 0.00 -3.68 2.88 2.85 -1.26 -1.06 118.16 114.23 3i7n n LYS 579 Ca 0.07 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.18 3i7n n LYS 579 Cb 0.57 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.87 3i7n n LYS 579 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3i7n s GLU 580 N -1.56 0.70 -0.51 -1.58 2.56 0.05 -4.94 118.70 113.41 3i7n s GLU 580 Ca 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 54.97 55.37 3i7n s GLU 580 Cb 0.00 0.33 0.13 0.00 2.00 0.00 0.00 34.13 36.59 3i7n s GLU 580 CO 0.00 -0.14 0.33 1.41 -0.56 0.00 0.00 175.26 176.30 3i7n s MET 581 N -0.32 2.34 0.55 4.30 -2.45 -1.26 -2.55 119.30 119.91 3i7n s MET 581 Ca -0.05 -2.08 -0.15 0.00 -1.25 0.00 0.00 55.69 52.16 3i7n s MET 581 Cb -0.03 -3.73 -0.06 0.00 1.25 0.00 0.00 34.83 32.26 3i7n s MET 581 CO 0.03 -1.14 1.01 -0.51 1.05 0.00 0.00 175.02 175.46 3i7n s LEU 582 N 0.73 3.52 0.00 4.11 1.43 -0.99 -5.04 118.68 122.44 3i7n s LEU 582 Ca 0.11 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 3i7n s LEU 582 Cb -0.22 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.49 3i7n s LEU 582 CO -0.03 -0.80 0.00 0.61 0.23 0.00 0.00 176.35 176.36 3i7n n GLY 583 N -1.60 0.17 7.00 -3.19 0.00 -1.26 -4.46 105.19 101.84 3i7n n GLY 583 Ca 0.07 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3i7n n GLY 583 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7n n GLY 584 N 5.00 -0.40 0.49 -0.02 0.00 -1.26 -4.55 105.19 104.46 3i7n n GLY 584 Ca 0.00 -0.73 0.09 0.00 0.00 0.00 0.00 46.02 45.38 3i7n n GLY 584 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i7n n GLU 585 N -1.18 2.16 -4.48 1.61 -0.58 -1.26 -4.90 120.64 112.01 3i7n n GLU 585 Ca 0.00 -2.69 -0.33 0.00 -0.42 0.00 0.00 57.16 53.72 3i7n n GLU 585 Cb 0.00 -1.66 -0.16 0.00 -0.57 0.00 0.00 31.44 29.05 3i7n n GLU 585 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3i7n s ILE 586 N -2.79 2.42 0.47 -3.67 -1.09 -1.26 -5.11 121.20 110.17 3i7n s ILE 586 Ca 0.36 -0.85 -0.19 0.00 -2.23 0.00 0.00 60.65 57.74 3i7n s ILE 586 Cb 0.30 -2.01 -0.09 0.00 -1.58 0.00 0.00 42.46 39.08 3i7n s ILE 586 CO 0.06 0.52 0.98 0.27 -1.23 0.00 0.00 174.94 175.55 3i7n s ILE 587 N 0.92 4.28 -0.09 2.92 -0.00 -1.26 -4.69 121.20 123.28 3i7n s ILE 587 Ca -0.04 1.32 -0.29 0.00 -0.00 0.00 0.00 60.65 61.64 3i7n s ILE 587 Cb -0.15 -3.59 -0.06 0.00 -0.00 0.00 0.00 42.46 38.66 3i7n s ILE 587 CO -0.03 -0.41 1.96 -2.84 -0.00 0.00 0.00 174.94 173.63 3i7n s PRO 588 N -3.46 3.78 0.32 0.37 0.02 -1.26 -3.52 135.00 131.24 3i7n s PRO 588 Ca 0.62 2.24 0.17 0.00 0.02 0.00 0.00 61.00 64.05 3i7n s PRO 588 Cb -0.11 -4.19 0.33 0.00 0.02 0.00 0.00 34.50 30.55 3i7n s PRO 588 CO 0.20 -1.36 1.56 -0.09 -0.33 0.00 0.00 177.00 176.99 3i7n h ARG 589 N 11.91 0.00 -2.00 5.54 1.12 -1.18 -3.40 114.38 126.36 3i7n h ARG 589 Ca -0.43 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.39 3i7n h ARG 589 Cb 1.22 0.00 -0.20 0.00 -0.01 0.00 0.00 29.97 30.97 3i7n h ARG 589 CO 0.96 0.46 0.14 0.45 -3.11 0.00 0.00 179.97 178.87 3i7n s SER 590 N -6.44 -0.72 0.04 -3.80 0.15 -0.78 -4.85 113.70 97.30 3i7n s SER 590 Ca 0.02 1.26 0.05 0.00 0.70 0.00 0.00 55.95 57.98 3i7n s SER 590 Cb 0.09 1.23 -0.02 0.00 -1.71 0.00 0.00 66.02 65.60 3i7n s SER 590 CO 0.72 -0.34 -0.14 -0.51 1.20 0.00 0.00 173.24 174.17 3i7n s ILE 591 N -0.03 1.11 -0.09 6.45 1.10 -1.26 0.46 121.20 128.94 3i7n s ILE 591 Ca -0.03 -1.02 -0.07 0.00 -0.51 0.00 0.00 60.65 59.03 3i7n s ILE 591 Cb -0.04 -1.01 0.03 0.00 0.15 0.00 0.00 42.46 41.59 3i7n s ILE 591 CO 0.03 -0.01 0.22 -0.22 -2.11 0.00 0.00 174.94 172.86 3i7n s LEU 592 N -1.17 1.01 -0.18 8.50 2.96 0.78 -4.65 118.68 125.93 3i7n s LEU 592 Ca 0.01 0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 54.34 3i7n s LEU 592 Cb -0.08 0.73 -0.02 0.00 0.50 0.00 0.00 46.19 47.32 3i7n s LEU 592 CO 0.01 -0.10 -0.05 0.00 -1.32 0.00 0.00 176.35 174.90 3i7n s MET 593 N 0.37 3.52 0.03 1.98 0.23 -1.24 -1.22 119.30 122.97 3i7n s MET 593 Ca -0.02 -0.58 0.00 0.00 -1.03 0.00 0.00 55.69 54.07 3i7n s MET 593 Cb -0.04 -2.94 -0.00 0.00 -1.53 0.00 0.00 34.83 30.33 3i7n s MET 593 CO -0.02 0.05 0.02 0.25 -2.03 0.00 0.00 175.02 173.29 3i7n n THR 594 N 4.08 0.00 -3.52 3.16 -2.24 0.77 -4.82 114.28 111.71 3i7n n THR 594 Ca -0.18 -0.19 -0.15 0.00 -2.27 0.00 0.00 64.05 61.27 3i7n n THR 594 Cb 0.52 0.08 -0.05 0.00 -2.10 0.00 0.00 70.33 68.78 3i7n n THR 594 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3i7n s THR 595 N -1.93 0.00 0.23 4.28 2.01 -1.26 -1.72 115.64 117.25 3i7n s THR 595 Ca 0.03 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.03 3i7n s THR 595 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 3i7n s THR 595 CO 0.02 0.00 0.00 0.49 -0.69 0.00 0.00 174.62 174.44 3i7n n PHE 596 N 0.57 -1.91 0.06 4.92 3.01 -1.25 -4.92 117.46 117.94 3i7n n PHE 596 Ca -0.16 0.34 0.00 0.00 1.01 0.00 0.00 57.45 58.64 3i7n n PHE 596 Cb 0.59 0.50 0.00 0.00 -0.01 0.00 0.00 39.48 40.56 3i7n n PHE 596 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3i7n n GLU 597 N -3.35 0.00 -2.77 -1.08 4.71 -1.26 -4.87 120.64 112.02 3i7n n GLU 597 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 3i7n n GLU 597 Cb 0.01 -0.06 0.04 0.00 -1.01 0.00 0.00 31.44 30.42 3i7n n GLU 597 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3i7n n SER 598 N -2.96 1.58 -3.61 1.62 7.64 -1.26 -5.06 113.62 111.57 3i7n n SER 598 Ca 0.00 -2.26 -0.13 0.00 1.01 0.00 0.00 58.87 57.50 3i7n n SER 598 Cb 0.00 -0.49 -0.07 0.00 -1.01 0.00 0.00 64.21 62.64 3i7n n SER 598 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3i7n s SER 599 N -3.60 -0.58 -0.24 6.43 0.15 -1.26 -5.14 113.70 109.46 3i7n s SER 599 Ca 0.27 0.97 -0.13 0.00 0.70 0.00 0.00 55.95 57.77 3i7n s SER 599 Cb 0.36 0.94 -0.05 0.00 -1.71 0.00 0.00 66.02 65.57 3i7n s SER 599 CO -0.02 -0.29 0.26 -1.00 1.20 0.00 0.00 173.24 173.39 3i7n s HIS 600 N -0.17 3.30 -0.04 3.44 0.09 -1.26 -3.87 115.29 116.78 3i7n s HIS 600 Ca -0.01 0.33 -0.01 0.00 -0.00 0.00 0.00 55.06 55.37 3i7n s HIS 600 Cb -0.03 -2.40 -0.04 0.00 -0.00 0.00 0.00 32.58 30.11 3i7n s HIS 600 CO 0.00 -0.04 0.04 0.71 -0.00 0.00 0.00 174.74 175.46 3i7n s TYR 601 N 1.41 3.23 -0.15 1.40 1.51 -0.70 -0.33 117.35 123.72 3i7n s TYR 601 Ca 0.11 0.21 -0.00 0.00 -1.01 0.00 0.00 57.07 56.38 3i7n s TYR 601 Cb -0.15 -1.76 0.03 0.00 -0.11 0.00 0.00 41.96 39.97 3i7n s TYR 601 CO 0.07 0.52 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.77 3i7n s LEU 602 N -1.33 1.61 0.21 -1.29 2.96 0.00 -0.16 118.68 120.68 3i7n s LEU 602 Ca 0.18 -0.53 0.09 0.00 -0.22 0.00 0.00 54.13 53.65 3i7n s LEU 602 Cb -0.12 -1.03 -0.05 0.00 0.50 0.00 0.00 46.19 45.50 3i7n s LEU 602 CO 0.08 -0.12 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.07 3i7n s LEU 603 N 1.57 2.55 -0.21 -0.68 1.02 -0.36 -0.56 118.68 122.01 3i7n s LEU 603 Ca 0.03 -1.00 -0.04 0.00 0.02 0.00 0.00 54.13 53.15 3i7n s LEU 603 Cb -0.14 -0.79 0.10 0.00 0.02 0.00 0.00 46.19 45.38 3i7n s LEU 603 CO -0.09 -0.10 0.24 0.00 0.02 0.00 0.00 176.35 176.41 3i7n s ALA 605 N 2.34 3.44 0.40 0.00 0.00 0.17 -2.47 121.76 125.65 3i7n s ALA 605 Ca 0.08 0.27 0.08 0.00 0.00 0.00 0.00 51.96 52.38 3i7n s ALA 605 Cb -0.16 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 3i7n s ALA 605 CO -0.14 0.21 0.31 -0.51 0.00 0.00 0.00 175.76 175.64 3i7n s LEU 606 N -0.67 3.35 0.00 0.00 1.43 -0.85 -0.66 118.68 121.28 3i7n s LEU 606 Ca 0.36 -0.78 0.19 0.00 -1.03 0.00 0.00 54.13 52.87 3i7n s LEU 606 Cb -0.21 -1.93 0.92 0.00 0.03 0.00 0.00 46.19 44.99 3i7n s LEU 606 CO 0.24 -0.57 1.61 0.61 0.23 0.00 0.00 176.35 178.46 3i7n n GLY 607 N -1.44 -1.02 0.48 -3.19 0.00 -1.23 -2.50 105.19 96.29 3i7n n GLY 607 Ca 0.02 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3i7n n GLY 607 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i7n n ASP 608 N -1.37 1.58 0.00 1.61 3.85 -1.26 -3.01 116.55 117.95 3i7n n ASP 608 Ca 0.07 -1.41 0.00 0.00 -0.71 0.00 0.00 54.79 52.75 3i7n n ASP 608 Cb 0.18 0.05 0.00 0.00 -1.35 0.00 0.00 41.12 40.01 3i7n n ASP 608 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3i7n n GLY 609 N 1.25 1.99 3.87 6.12 0.00 -1.04 -4.29 105.19 113.08 3i7n n GLY 609 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3i7n n GLY 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7n s ALA 610 N -2.52 3.10 -0.03 4.61 0.00 -1.26 -2.69 121.76 122.97 3i7n s ALA 610 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 3i7n s ALA 610 Cb 0.00 -3.07 0.02 0.00 0.00 0.00 0.00 23.12 20.07 3i7n s ALA 610 CO 0.00 -0.63 0.06 -1.17 0.00 0.00 0.00 175.76 174.02 3i7n s LEU 611 N -5.04 1.22 0.01 0.00 0.20 -1.26 -2.01 118.68 111.80 3i7n s LEU 611 Ca 0.55 0.11 -0.07 0.00 0.69 0.00 0.00 54.13 55.41 3i7n s LEU 611 Cb -0.11 0.09 -0.05 0.00 -0.43 0.00 0.00 46.19 45.69 3i7n s LEU 611 CO 0.51 -0.10 0.28 -0.36 -0.29 0.00 0.00 176.35 176.39 3i7n s PHE 612 N 0.79 3.58 -0.02 5.38 0.40 -1.03 -1.98 117.98 125.11 3i7n s PHE 612 Ca -0.06 0.60 0.02 0.00 -0.60 0.00 0.00 56.93 56.89 3i7n s PHE 612 Cb -0.09 -2.01 0.00 0.00 0.51 0.00 0.00 43.02 41.43 3i7n s PHE 612 CO -0.03 0.61 -0.08 1.52 0.70 0.00 0.00 175.22 177.94 3i7n s TYR 613 N -1.30 0.81 0.21 0.36 1.13 -1.21 -1.76 117.35 115.59 3i7n s TYR 613 Ca 0.28 -0.18 -0.12 0.00 -1.41 0.00 0.00 57.07 55.64 3i7n s TYR 613 Cb -0.13 -0.57 -0.00 0.00 -1.10 0.00 0.00 41.96 40.15 3i7n s TYR 613 CO 0.16 -0.07 0.41 -0.06 -2.51 0.00 0.00 175.55 173.48 3i7n s PHE 614 N 0.12 0.34 0.04 -3.49 0.40 0.28 -3.96 117.98 111.70 3i7n s PHE 614 Ca -0.01 -0.69 0.08 0.00 -0.60 0.00 0.00 56.93 55.71 3i7n s PHE 614 Cb -0.07 0.11 -0.03 0.00 0.51 0.00 0.00 43.02 43.54 3i7n s PHE 614 CO 0.00 -0.88 -0.24 0.20 0.70 0.00 0.00 175.22 175.00 3i7n s GLY 615 N -2.99 1.29 0.07 4.36 0.00 -1.26 -0.82 107.32 107.97 3i7n s GLY 615 Ca 0.20 -1.18 0.01 0.00 0.00 0.00 0.00 44.72 43.75 3i7n s GLY 615 CO 0.05 -1.07 0.06 -0.10 0.00 0.00 0.00 173.10 172.04 3i7n n LEU 616 N 1.85 0.00 -3.59 0.66 7.94 0.54 -4.32 117.00 120.08 3i7n n LEU 616 Ca -0.17 -0.34 -0.21 0.00 -1.11 0.00 0.00 56.01 54.18 3i7n n LEU 616 Cb 0.52 -0.02 -0.16 0.00 0.53 0.00 0.00 43.42 44.30 3i7n n LEU 616 CO 0.23 -0.36 -0.27 0.20 -1.11 0.00 0.00 177.39 176.07 3i7n s ASN 617 N -1.41 1.61 0.44 1.96 0.01 -1.26 -4.41 114.94 111.87 3i7n s ASN 617 Ca 0.05 -0.24 0.15 0.00 -0.71 0.00 0.00 52.86 52.11 3i7n s ASN 617 Cb -0.00 0.07 1.06 0.00 0.41 0.00 0.00 41.25 42.78 3i7n s ASN 617 CO 0.03 -0.31 1.96 0.16 -1.51 0.00 0.00 177.10 177.43 3i7n h ILE 618 N 6.38 0.85 0.00 0.60 3.07 -1.98 -2.15 117.51 124.28 3i7n h ILE 618 Ca -0.15 -0.13 -0.05 0.00 1.55 0.00 0.00 64.86 66.08 3i7n h ILE 618 Cb 1.14 0.43 -0.01 0.00 -0.27 0.00 0.00 36.82 38.11 3i7n h ILE 618 CO 0.24 0.07 -0.34 -0.33 -1.05 0.00 0.00 178.15 176.75 3i7n h GLU 619 N 0.39 0.00 0.00 0.16 4.39 -2.04 -3.45 114.58 114.03 3i7n h GLU 619 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 3i7n h GLU 619 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 3i7n h GLU 619 CO -0.09 0.66 0.00 0.25 -1.16 0.00 0.00 179.01 178.67 3i7n n THR 620 N -4.61 0.00 -0.79 1.13 -2.24 -1.15 -5.12 114.28 101.49 3i7n n THR 620 Ca -0.12 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3i7n n THR 620 Cb 0.39 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 3i7n n THR 620 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i7n n GLY 621 N 3.10 -2.69 0.00 3.38 0.00 -0.82 -4.71 105.19 103.46 3i7n n GLY 621 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3i7n n GLY 621 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i7n n LEU 622 N 0.00 0.00 -4.96 0.99 4.32 -1.26 -4.71 117.00 111.38 3i7n n LEU 622 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.77 3i7n n LEU 622 Cb 0.00 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.78 3i7n n LEU 622 CO 0.00 0.00 -0.02 -0.22 -1.22 0.00 0.00 177.39 175.93 3i7n s LEU 623 N 0.00 4.28 0.00 2.23 0.20 -1.26 -4.83 118.68 119.30 3i7n s LEU 623 Ca 0.00 0.15 0.00 0.00 0.69 0.00 0.00 54.13 54.97 3i7n s LEU 623 Cb 0.00 -2.94 0.00 0.00 -0.43 0.00 0.00 46.19 42.82 3i7n s LEU 623 CO 0.00 -0.08 0.00 -1.54 -0.29 0.00 0.00 176.35 174.44 3i7n n SER 624 N -1.28 0.00 -4.86 3.68 3.41 -1.26 -4.90 113.62 108.41 3i7n n SER 624 Ca -0.08 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.21 3i7n n SER 624 Cb 0.56 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.46 3i7n n SER 624 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3i7n s ASP 625 N 1.18 6.68 -0.35 4.04 1.11 -1.26 -4.96 116.67 123.10 3i7n s ASP 625 Ca 0.00 1.18 0.00 0.00 0.18 0.00 0.00 52.55 53.92 3i7n s ASP 625 Cb 0.00 -2.34 0.11 0.00 1.07 0.00 0.00 42.92 41.77 3i7n s ASP 625 CO 0.00 -0.24 0.14 -0.13 1.18 0.00 0.00 175.17 176.11 3i7n s ARG 626 N -3.22 0.92 0.28 8.23 0.52 -1.25 -3.96 118.95 120.46 3i7n s ARG 626 Ca 0.52 -1.41 0.02 0.00 -0.52 0.00 0.00 55.73 54.34 3i7n s ARG 626 Cb -0.10 -2.14 -0.05 0.00 0.52 0.00 0.00 34.95 33.17 3i7n s ARG 626 CO 0.22 -1.04 0.10 0.15 0.02 0.00 0.00 175.30 174.75 3i7n s LYS 627 N 1.18 1.48 -0.14 3.54 1.02 -1.26 -5.00 119.74 120.56 3i7n s LYS 627 Ca 0.12 -1.82 -0.04 0.00 0.02 0.00 0.00 55.97 54.26 3i7n s LYS 627 Cb -0.20 -0.34 0.07 0.00 -0.52 0.00 0.00 37.83 36.85 3i7n s LYS 627 CO -0.16 -0.31 0.25 0.21 -0.92 0.00 0.00 175.35 174.42 3i7n s LYS 628 N -3.98 0.15 0.00 1.68 2.20 -1.26 -3.35 119.74 115.19 3i7n s LYS 628 Ca 0.37 0.61 0.00 0.00 -0.36 0.00 0.00 55.97 56.59 3i7n s LYS 628 Cb 0.07 -0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.08 3i7n s LYS 628 CO 0.14 -0.38 0.00 1.33 -0.36 0.00 0.00 175.35 176.09 3i7n n VAL 629 N 5.34 0.00 -1.79 4.02 0.24 -0.84 -4.90 118.33 120.41 3i7n n VAL 629 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3i7n n VAL 629 Cb 0.50 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 3i7n n VAL 629 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3i7n n THR 630 N 0.00 0.00 0.00 3.34 5.66 -1.26 -4.27 114.28 117.75 3i7n n THR 630 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3i7n n THR 630 Cb 0.00 0.22 0.00 0.00 -1.55 0.00 0.00 70.33 69.00 3i7n n THR 630 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3i7n n LEU 631 N 0.00 0.00 0.00 1.09 4.77 -1.10 -4.40 117.00 117.37 3i7n n LEU 631 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 3i7n n LEU 631 Cb 0.50 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.86 3i7n n LEU 631 CO 0.00 0.00 0.47 0.61 -1.33 0.00 0.00 177.39 177.14 3i7n n GLY 632 N 0.00 -3.34 0.01 -0.72 0.00 -1.22 -4.64 105.19 95.29 3i7n n GLY 632 Ca 0.00 -1.40 0.10 0.00 0.00 0.00 0.00 46.02 44.72 3i7n n GLY 632 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i7n n THR 633 N -5.28 0.05 -2.27 2.61 -2.24 -1.26 -4.08 114.28 101.81 3i7n n THR 633 Ca 0.14 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 61.10 3i7n n THR 633 Cb 0.58 -0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.79 3i7n n THR 633 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3i7n s GLN 634 N -3.43 3.72 0.60 -0.78 -1.52 -1.26 -3.31 119.66 113.67 3i7n s GLN 634 Ca -0.08 1.05 -0.18 0.00 -1.95 0.00 0.00 55.36 54.20 3i7n s GLN 634 Cb 0.13 -2.10 -0.06 0.00 -0.22 0.00 0.00 33.01 30.77 3i7n s GLN 634 CO 0.88 -0.47 0.83 -0.35 -0.25 0.00 0.00 175.29 175.93 3i7n n PRO 635 N -1.74 0.76 -4.79 2.91 -0.04 -1.17 -3.30 135.00 127.63 3i7n n PRO 635 Ca 0.07 0.30 -0.33 0.00 -0.04 0.00 0.00 63.50 63.50 3i7n n PRO 635 Cb 0.54 -2.03 -0.15 0.00 -0.04 0.00 0.00 33.50 31.82 3i7n n PRO 635 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3i7n s THR 636 N -1.58 2.85 -0.26 0.52 2.01 -1.26 -4.61 115.64 113.31 3i7n s THR 636 Ca 0.74 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.90 3i7n s THR 636 Cb -0.42 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 3i7n s THR 636 CO 0.49 0.53 0.22 -0.69 -0.69 0.00 0.00 174.62 174.47 3i7n s VAL 637 N 0.44 5.30 0.09 3.82 1.01 -0.67 -4.43 120.40 125.96 3i7n s VAL 637 Ca -0.11 0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 3i7n s VAL 637 Cb -0.16 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 3i7n s VAL 637 CO 0.05 0.26 0.45 -0.76 0.00 0.00 0.00 175.10 175.11 3i7n s LEU 638 N 1.58 4.36 0.22 3.92 1.43 -1.26 0.04 118.68 128.97 3i7n s LEU 638 Ca 0.09 0.90 -0.18 0.00 -1.03 0.00 0.00 54.13 53.91 3i7n s LEU 638 Cb -0.15 -3.04 0.02 0.00 0.03 0.00 0.00 46.19 43.05 3i7n s LEU 638 CO 0.09 0.16 0.56 -0.60 0.23 0.00 0.00 176.35 176.79 3i7n s ARG 639 N -1.85 1.50 -0.02 1.70 6.06 -0.51 -5.00 118.95 120.83 3i7n s ARG 639 Ca 0.34 -0.95 0.05 0.00 -2.50 0.00 0.00 55.73 52.67 3i7n s ARG 639 Cb -0.15 0.53 -0.01 0.00 0.06 0.00 0.00 34.95 35.39 3i7n s ARG 639 CO 0.18 -0.65 -0.18 0.99 -2.50 0.00 0.00 175.30 173.14 3i7n s THR 640 N -3.90 1.46 0.16 4.11 2.01 -1.26 0.42 115.64 118.64 3i7n s THR 640 Ca 0.12 -0.77 0.10 0.00 0.31 0.00 0.00 61.69 61.44 3i7n s THR 640 Cb -0.02 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 3i7n s THR 640 CO 0.01 0.41 -0.22 0.72 -0.69 0.00 0.00 174.62 174.86 3i7n s PHE 641 N -0.30 2.03 -0.03 4.92 -0.12 -0.44 -4.63 117.98 119.41 3i7n s PHE 641 Ca 0.04 -0.41 -0.27 0.00 -0.05 0.00 0.00 56.93 56.24 3i7n s PHE 641 Cb -0.08 -1.04 -0.03 0.00 -0.63 0.00 0.00 43.02 41.23 3i7n s PHE 641 CO 0.00 0.37 0.85 0.50 -0.05 0.00 0.00 175.22 176.89 3i7n s ARG 642 N -2.50 4.51 0.00 1.99 3.52 -1.26 -2.86 118.95 122.35 3i7n s ARG 642 Ca 0.15 1.18 0.00 0.00 -0.13 0.00 0.00 55.73 56.93 3i7n s ARG 642 Cb -0.08 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.86 3i7n s ARG 642 CO 0.07 0.01 0.00 -1.13 -0.81 0.00 0.00 175.30 173.44 3i7n n SER 643 N 3.81 0.00 -1.88 -2.12 3.41 -1.26 -5.00 113.62 110.57 3i7n n SER 643 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3i7n n SER 643 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3i7n n SER 643 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7n n LEU 644 N 0.00 0.00 -0.03 1.04 -0.00 -1.26 -4.95 117.00 111.79 3i7n n LEU 644 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.04 3i7n n LEU 644 Cb 0.00 0.00 0.37 0.00 -0.00 0.00 0.00 43.42 43.79 3i7n n LEU 644 CO 0.00 0.00 1.13 0.77 -0.00 0.00 0.00 177.39 179.29 3i7n h SER 645 N 0.00 0.54 -3.95 1.45 4.64 -2.02 -3.34 113.55 110.87 3i7n h SER 645 Ca 0.00 -0.03 -0.73 0.00 -0.47 0.00 0.00 61.79 60.56 3i7n h SER 645 Cb 0.00 -0.14 -0.32 0.00 -0.31 0.00 0.00 62.40 61.64 3i7n h SER 645 CO 0.00 0.43 -0.22 0.42 -0.87 0.00 0.00 176.83 176.59 3i7n s THR 646 N -5.44 4.37 0.45 2.95 -4.23 -1.26 -5.07 115.64 107.41 3i7n s THR 646 Ca -0.09 -2.68 -0.21 0.00 -1.18 0.00 0.00 61.69 57.53 3i7n s THR 646 Cb 0.17 -3.80 -0.09 0.00 1.34 0.00 0.00 72.50 70.12 3i7n s THR 646 CO 0.75 -0.91 1.01 0.42 -0.54 0.00 0.00 174.62 175.34 3i7n s THR 647 N 0.16 3.96 0.09 3.99 -4.23 -1.26 -4.87 115.64 113.49 3i7n s THR 647 Ca 0.16 1.29 0.01 0.00 -1.18 0.00 0.00 61.69 61.96 3i7n s THR 647 Cb -0.18 -3.56 -0.00 0.00 1.34 0.00 0.00 72.50 70.10 3i7n s THR 647 CO -0.05 -0.20 0.03 0.59 -0.54 0.00 0.00 174.62 174.45 3i7n n ASN 648 N -0.64 1.12 -4.53 3.99 3.02 -1.13 -4.87 115.26 112.22 3i7n n ASN 648 Ca 0.08 -1.48 -0.38 0.00 -0.03 0.00 0.00 54.58 52.77 3i7n n ASN 648 Cb 0.52 0.22 -0.11 0.00 -0.61 0.00 0.00 39.78 39.79 3i7n n ASN 648 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i7n s VAL 649 N -1.83 4.93 -0.22 2.41 1.01 -0.52 -1.32 120.40 124.86 3i7n s VAL 649 Ca 0.04 -0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 3i7n s VAL 649 Cb 0.00 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 3i7n s VAL 649 CO 0.03 0.23 0.12 0.12 0.00 0.00 0.00 175.10 175.61 3i7n s PHE 650 N 1.70 3.29 -0.22 5.22 5.36 0.17 0.52 117.98 134.00 3i7n s PHE 650 Ca 0.06 0.13 -0.07 0.00 -0.96 0.00 0.00 56.93 56.10 3i7n s PHE 650 Cb -0.16 -2.21 -0.03 0.00 -0.34 0.00 0.00 43.02 40.28 3i7n s PHE 650 CO 0.08 0.07 0.06 0.00 -1.46 0.00 0.00 175.22 173.97 3i7n s ALA 651 N 0.86 3.19 -0.20 11.12 0.00 0.18 -1.42 121.76 135.49 3i7n s ALA 651 Ca 0.06 -1.01 -0.16 0.00 0.00 0.00 0.00 51.96 50.85 3i7n s ALA 651 Cb -0.13 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 3i7n s ALA 651 CO 0.03 -0.26 0.40 0.00 0.00 0.00 0.00 175.76 175.92 3i7n n SER 653 N 4.41 -1.84 0.28 0.00 7.64 -0.93 -1.67 113.62 121.51 3i7n n SER 653 Ca -0.08 -2.34 0.17 0.00 1.01 0.00 0.00 58.87 57.63 3i7n n SER 653 Cb 0.51 3.08 0.73 0.00 -1.01 0.00 0.00 64.21 67.52 3i7n n SER 653 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 3i7n h ASP 654 N 1.63 0.00 -3.16 6.43 2.03 -1.85 -2.64 116.42 118.86 3i7n h ASP 654 Ca -0.27 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.38 3i7n h ASP 654 Cb 1.02 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 39.12 3i7n h ASP 654 CO 0.35 0.04 -0.42 -0.60 -1.03 0.00 0.00 179.24 177.58 3i7n s ARG 655 N -3.78 2.73 0.27 4.15 3.52 -1.26 -4.56 118.95 120.03 3i7n s ARG 655 Ca -0.00 -3.35 -0.30 0.00 -0.13 0.00 0.00 55.73 51.95 3i7n s ARG 655 Cb 0.10 -3.59 -0.14 0.00 -1.56 0.00 0.00 34.95 29.76 3i7n s ARG 655 CO 0.54 -1.28 1.24 -0.35 -0.81 0.00 0.00 175.30 174.64 3i7n n PRO 656 N 2.05 1.77 -3.95 5.12 -0.04 -1.21 -4.38 135.00 134.35 3i7n n PRO 656 Ca 0.21 0.62 -0.12 0.00 -0.04 0.00 0.00 63.50 64.17 3i7n n PRO 656 Cb 0.36 -2.17 -0.13 0.00 -0.04 0.00 0.00 33.50 31.52 3i7n n PRO 656 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3i7n s THR 657 N -0.60 0.13 -0.08 0.52 2.01 -0.45 -1.68 115.64 115.49 3i7n s THR 657 Ca 0.63 -0.27 -0.07 0.00 0.31 0.00 0.00 61.69 62.30 3i7n s THR 657 Cb -0.67 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 3i7n s THR 657 CO 0.56 -0.09 0.18 -0.69 -0.69 0.00 0.00 174.62 173.89 3i7n s VAL 658 N -0.36 5.44 -0.38 3.82 1.01 -0.85 0.48 120.40 129.56 3i7n s VAL 658 Ca -0.03 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.13 3i7n s VAL 658 Cb -0.03 -3.47 0.11 0.00 0.00 0.00 0.00 36.38 32.99 3i7n s VAL 658 CO -0.00 0.53 0.14 -0.63 0.00 0.00 0.00 175.10 175.14 3i7n s ILE 659 N -1.12 2.86 0.00 2.22 1.01 0.18 -2.53 121.20 123.83 3i7n s ILE 659 Ca 0.19 -2.19 0.00 0.00 0.00 0.00 0.00 60.65 58.65 3i7n s ILE 659 Cb -0.13 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.33 3i7n s ILE 659 CO 0.09 -0.65 0.00 -1.22 0.00 0.00 0.00 174.94 173.15 3i7n n TYR 660 N 4.44 0.00 -3.67 3.97 4.02 -0.97 -1.44 117.16 123.50 3i7n n TYR 660 Ca 0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.79 3i7n n TYR 660 Cb 0.42 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.65 3i7n n TYR 660 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3i7n s SER 661 N -1.00 -0.67 0.00 7.72 0.01 -1.26 -3.07 113.70 115.43 3i7n s SER 661 Ca 0.00 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.42 3i7n s SER 661 Cb 0.00 1.07 0.00 0.00 0.21 0.00 0.00 66.02 67.30 3i7n s SER 661 CO 0.00 -0.21 0.00 -0.24 0.41 0.00 0.00 173.24 173.20 3i7n n SER 662 N 3.86 0.00 0.44 2.44 2.88 -1.14 -4.49 113.62 117.60 3i7n n SER 662 Ca -0.19 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.15 3i7n n SER 662 Cb 0.57 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.93 3i7n n SER 662 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3i7n h ASN 663 N 0.00 -1.10 0.00 -3.46 7.08 -1.98 -3.39 115.58 112.73 3i7n h ASN 663 Ca 0.00 0.05 0.00 0.00 -3.08 0.00 0.00 56.30 53.27 3i7n h ASN 663 Cb 0.00 0.31 0.00 0.00 -2.08 0.00 0.00 38.32 36.55 3i7n h ASN 663 CO 0.00 -0.72 0.00 1.57 -2.08 0.00 0.00 177.43 176.20 3i7n n HIS 664 N -5.60 0.00 0.00 4.14 -0.00 -1.26 -4.99 115.22 107.51 3i7n n HIS 664 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.57 3i7n n HIS 664 Cb 0.48 0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.49 3i7n n HIS 664 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3i7n n LYS 665 N 0.00 3.22 -3.65 1.57 5.02 -1.26 -4.99 118.16 118.07 3i7n n LYS 665 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 3i7n n LYS 665 Cb 0.36 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.30 3i7n n LYS 665 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i7n s LEU 666 N 0.00 -0.92 0.55 -0.35 1.43 -1.26 -2.90 118.68 115.23 3i7n s LEU 666 Ca 0.00 1.48 -0.15 0.00 -1.03 0.00 0.00 54.13 54.43 3i7n s LEU 666 Cb 0.00 2.29 -0.06 0.00 0.03 0.00 0.00 46.19 48.44 3i7n s LEU 666 CO 0.00 -0.23 1.00 -0.69 0.23 0.00 0.00 176.35 176.66 3i7n s VAL 667 N 1.86 4.53 -0.39 -1.59 1.01 -1.17 -4.54 120.40 120.10 3i7n s VAL 667 Ca -0.09 1.09 0.12 0.00 0.00 0.00 0.00 61.98 63.10 3i7n s VAL 667 Cb -0.07 -3.74 0.39 0.00 0.00 0.00 0.00 36.38 32.97 3i7n s VAL 667 CO -0.19 -0.81 0.86 0.49 0.00 0.00 0.00 175.10 175.45 3i7n n PHE 668 N -1.96 1.33 -3.86 5.22 3.01 -1.25 -2.30 117.46 117.64 3i7n n PHE 668 Ca 0.07 -3.47 -0.29 0.00 1.01 0.00 0.00 57.45 54.76 3i7n n PHE 668 Cb 0.54 -0.39 -0.04 0.00 -0.01 0.00 0.00 39.48 39.59 3i7n n PHE 668 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3i7n s SER 669 N -2.89 6.38 0.66 4.37 0.01 -1.05 -4.94 113.70 116.23 3i7n s SER 669 Ca 0.38 0.31 -0.15 0.00 1.31 0.00 0.00 55.95 57.80 3i7n s SER 669 Cb 0.38 -1.97 -0.00 0.00 0.21 0.00 0.00 66.02 64.63 3i7n s SER 669 CO -0.06 0.10 1.12 0.20 0.41 0.00 0.00 173.24 175.00 3i7n s ASN 670 N -2.76 5.09 -0.18 2.44 0.01 -1.26 -2.00 114.94 116.27 3i7n s ASN 670 Ca 0.36 2.02 -0.05 0.00 -0.71 0.00 0.00 52.86 54.48 3i7n s ASN 670 Cb -0.12 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 38.96 3i7n s ASN 670 CO 0.28 -1.65 0.00 -0.69 -1.51 0.00 0.00 177.10 173.53 3i7n s VAL 671 N -2.30 4.10 -1.08 1.60 1.01 -0.68 -0.63 120.40 122.42 3i7n s VAL 671 Ca 0.67 -0.27 -0.21 0.00 0.00 0.00 0.00 61.98 62.17 3i7n s VAL 671 Cb -0.21 -2.84 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 3i7n s VAL 671 CO 0.41 0.45 1.92 0.59 0.00 0.00 0.00 175.10 178.48 3i7n n ASN 672 N 3.90 3.20 -3.71 3.32 3.02 0.40 -4.60 115.26 120.79 3i7n n ASN 672 Ca -0.17 -2.73 -0.13 0.00 -0.03 0.00 0.00 54.58 51.52 3i7n n ASN 672 Cb 0.52 -1.53 -0.10 0.00 -0.61 0.00 0.00 39.78 38.07 3i7n n ASN 672 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i7n s LEU 673 N 6.25 0.21 0.05 3.41 1.43 -1.26 -4.68 118.68 124.09 3i7n s LEU 673 Ca 0.61 0.93 -0.10 0.00 -1.03 0.00 0.00 54.13 54.54 3i7n s LEU 673 Cb 0.06 1.56 -0.02 0.00 0.03 0.00 0.00 46.19 47.82 3i7n s LEU 673 CO 0.11 -0.16 1.17 1.17 0.23 0.00 0.00 176.35 178.87 3i7n n LYS 674 N 2.96 -0.14 -3.64 1.70 3.00 -1.26 -4.60 118.16 116.17 3i7n n LYS 674 Ca -0.14 1.16 -0.05 0.00 -0.00 0.00 0.00 58.31 59.29 3i7n n LYS 674 Cb 0.57 -1.73 -0.07 0.00 0.00 0.00 0.00 35.03 33.80 3i7n n LYS 674 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3i7n s GLU 675 N -3.80 0.44 -0.14 1.64 2.12 -1.26 -4.78 118.70 112.92 3i7n s GLU 675 Ca -0.04 0.69 0.02 0.00 0.36 0.00 0.00 54.97 56.00 3i7n s GLU 675 Cb 0.04 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.56 3i7n s GLU 675 CO 0.20 -0.08 -0.19 0.08 -0.54 0.00 0.00 175.26 174.73 3i7n s VAL 676 N 1.07 2.34 -0.19 3.70 1.01 -1.00 -4.48 120.40 122.85 3i7n s VAL 676 Ca -0.06 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 3i7n s VAL 676 Cb -0.04 -1.95 -0.21 0.00 0.00 0.00 0.00 36.38 34.17 3i7n s VAL 676 CO -0.13 0.54 0.25 0.59 0.00 0.00 0.00 175.10 176.34 3i7n n ASN 677 N 4.00 1.93 -3.98 3.32 3.02 0.65 -2.18 115.26 122.02 3i7n n ASN 677 Ca -0.19 0.36 -0.08 0.00 -0.03 0.00 0.00 54.58 54.64 3i7n n ASN 677 Cb 0.52 -0.94 -0.09 0.00 -0.61 0.00 0.00 39.78 38.66 3i7n n ASN 677 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3i7n s TYR 678 N -2.42 0.33 -0.28 3.10 1.51 -1.06 -4.77 117.35 113.77 3i7n s TYR 678 Ca -0.27 -0.80 -0.21 0.00 -1.01 0.00 0.00 57.07 54.78 3i7n s TYR 678 Cb 0.06 -0.23 0.08 0.00 -0.11 0.00 0.00 41.96 41.76 3i7n s TYR 678 CO 0.64 -0.44 0.72 1.41 -1.11 0.00 0.00 175.55 176.77 3i7n s MET 679 N -3.68 0.76 -0.01 -0.62 1.75 -1.26 -1.76 119.30 114.49 3i7n s MET 679 Ca 0.04 1.08 -0.13 0.00 -1.25 0.00 0.00 55.69 55.43 3i7n s MET 679 Cb 0.05 0.28 0.02 0.00 2.84 0.00 0.00 34.83 38.02 3i7n s MET 679 CO -0.09 -0.12 0.26 0.00 -0.65 0.00 0.00 175.02 174.42 3i7n n PRO 681 N 1.27 -0.10 -2.85 0.00 -0.02 -1.26 0.60 135.00 132.64 3i7n n PRO 681 Ca -0.22 0.04 -0.07 0.00 -2.02 0.00 0.00 63.50 61.23 3i7n n PRO 681 Cb 0.56 -2.24 0.01 0.00 -0.02 0.00 0.00 33.50 31.80 3i7n n PRO 681 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3i7n n LEU 682 N -2.89 0.00 0.00 2.45 7.94 0.15 -4.58 117.00 120.07 3i7n n LEU 682 Ca 0.11 -1.68 0.00 0.00 -1.11 0.00 0.00 56.01 53.33 3i7n n LEU 682 Cb 0.51 2.18 0.00 0.00 0.53 0.00 0.00 43.42 46.65 3i7n n LEU 682 CO 0.49 -0.51 0.00 -3.20 -1.11 0.00 0.00 177.39 173.07 3i7n n ASN 683 N -1.47 0.00 -4.24 1.96 5.15 -1.26 -3.45 115.26 111.96 3i7n n ASN 683 Ca -0.04 -0.25 -0.38 0.00 -0.60 0.00 0.00 54.58 53.31 3i7n n ASN 683 Cb 0.37 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.65 3i7n n ASN 683 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 3i7n n SER 684 N 0.00 -3.67 -4.22 1.20 2.88 -1.23 -3.97 113.62 104.61 3i7n n SER 684 Ca 0.00 0.53 -0.38 0.00 -1.33 0.00 0.00 58.87 57.69 3i7n n SER 684 Cb 0.10 -0.91 -0.03 0.00 -0.75 0.00 0.00 64.21 62.61 3i7n n SER 684 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3i7n n ASP 685 N 2.11 3.55 0.00 -3.46 5.68 -1.26 -0.45 116.55 122.73 3i7n n ASP 685 Ca 0.06 -2.77 0.00 0.00 -0.50 0.00 0.00 54.79 51.58 3i7n n ASP 685 Cb 0.50 -1.58 0.00 0.00 -1.14 0.00 0.00 41.12 38.90 3i7n n ASP 685 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i7n n GLY 686 N 5.13 -0.18 2.68 6.12 0.00 -1.25 -4.29 105.19 113.40 3i7n n GLY 686 Ca 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.48 3i7n n GLY 686 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i7n n TYR 687 N 0.00 -1.91 -0.78 1.61 4.01 0.41 -4.51 117.16 115.98 3i7n n TYR 687 Ca 0.00 -1.75 -0.28 0.00 -0.16 0.00 0.00 57.90 55.70 3i7n n TYR 687 Cb 0.00 1.47 0.23 0.00 -0.31 0.00 0.00 39.34 40.73 3i7n n TYR 687 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 3i7n s PRO 688 N -0.09 -0.47 -0.40 -0.72 0.02 -1.05 -2.97 135.00 129.32 3i7n s PRO 688 Ca 0.11 0.70 -0.05 0.00 0.02 0.00 0.00 61.00 61.77 3i7n s PRO 688 Cb 0.44 -1.62 0.05 0.00 0.02 0.00 0.00 34.50 33.40 3i7n s PRO 688 CO -0.12 -3.38 0.13 -3.47 -0.33 0.00 0.00 177.00 169.82 3i7n n ASP 689 N -4.66 -0.51 -4.90 2.53 2.03 -1.26 -4.85 116.55 104.94 3i7n n ASP 689 Ca 0.04 -0.21 -0.29 0.00 0.52 0.00 0.00 54.79 54.84 3i7n n ASP 689 Cb 0.55 -0.46 -0.04 0.00 -0.72 0.00 0.00 41.12 40.46 3i7n n ASP 689 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3i7n s SER 690 N -1.36 6.49 0.02 1.67 0.15 -1.16 -4.48 113.70 115.04 3i7n s SER 690 Ca 0.18 0.80 0.08 0.00 0.70 0.00 0.00 55.95 57.71 3i7n s SER 690 Cb -0.10 -2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 3i7n s SER 690 CO 0.22 -0.20 -0.23 -0.76 1.20 0.00 0.00 173.24 173.47 3i7n s LEU 691 N -3.44 2.31 0.07 3.45 1.43 -0.77 -0.67 118.68 121.05 3i7n s LEU 691 Ca 0.45 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 53.11 3i7n s LEU 691 Cb -0.11 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 3i7n s LEU 691 CO 0.28 0.28 -0.07 0.00 0.23 0.00 0.00 176.35 177.07 3i7n s ALA 692 N -0.79 3.05 -0.30 4.21 0.00 0.20 -1.22 121.76 126.91 3i7n s ALA 692 Ca 0.12 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 3i7n s ALA 692 Cb -0.10 -1.04 0.18 0.00 0.00 0.00 0.00 23.12 22.16 3i7n s ALA 692 CO 0.02 0.65 0.74 -0.51 0.00 0.00 0.00 175.76 176.66 3i7n s LEU 693 N -1.98 -1.09 -0.05 0.00 1.02 0.25 -0.94 118.68 115.89 3i7n s LEU 693 Ca 0.21 0.83 -0.01 0.00 0.02 0.00 0.00 54.13 55.19 3i7n s LEU 693 Cb -0.11 1.97 -0.04 0.00 0.02 0.00 0.00 46.19 48.04 3i7n s LEU 693 CO 0.13 -0.20 0.02 0.00 0.02 0.00 0.00 176.35 176.31 3i7n s ALA 694 N 2.85 3.35 0.00 4.21 0.00 -0.72 -2.39 121.76 129.06 3i7n s ALA 694 Ca 0.11 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3i7n s ALA 694 Cb -0.13 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.53 3i7n s ALA 694 CO -0.18 0.63 0.00 0.27 0.00 0.00 0.00 175.76 176.47 3i7n n ASN 695 N 1.73 1.54 -0.31 0.00 6.94 -1.11 -0.25 115.26 123.79 3i7n n ASN 695 Ca -0.16 -0.10 0.31 0.00 -0.02 0.00 0.00 54.58 54.60 3i7n n ASN 695 Cb 0.53 0.00 0.56 0.00 -2.36 0.00 0.00 39.78 38.52 3i7n n ASN 695 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3i7n n ASN 696 N -0.15 0.33 -3.12 0.53 5.15 -1.26 -3.98 115.26 112.76 3i7n n ASN 696 Ca 0.00 1.62 0.03 0.00 -0.60 0.00 0.00 54.58 55.63 3i7n n ASN 696 Cb 0.00 -0.78 -0.00 0.00 -0.53 0.00 0.00 39.78 38.47 3i7n n ASN 696 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3i7n s SER 697 N -4.55 -1.19 0.00 1.20 1.04 -1.26 -3.85 113.70 105.09 3i7n s SER 697 Ca -0.09 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.26 3i7n s SER 697 Cb 0.33 1.67 0.00 0.00 0.10 0.00 0.00 66.02 68.12 3i7n s SER 697 CO 0.76 -0.19 0.00 0.41 0.98 0.00 0.00 173.24 175.20 3i7n n THR 698 N 4.95 0.00 -2.59 2.02 -1.04 -1.25 -4.46 114.28 111.91 3i7n n THR 698 Ca 0.07 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.76 3i7n n THR 698 Cb 0.56 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.02 3i7n n THR 698 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3i7n s LEU 699 N 0.00 3.78 -0.00 -4.42 2.96 0.12 -2.75 118.68 118.37 3i7n s LEU 699 Ca 0.00 1.64 -0.23 0.00 -0.22 0.00 0.00 54.13 55.32 3i7n s LEU 699 Cb 0.00 -4.53 0.05 0.00 0.50 0.00 0.00 46.19 42.21 3i7n s LEU 699 CO 0.00 -0.50 0.51 0.42 -1.32 0.00 0.00 176.35 175.46 3i7n s THR 700 N -2.39 0.03 -0.10 3.68 -4.23 -1.01 -3.23 115.64 108.39 3i7n s THR 700 Ca 0.61 -0.24 -0.13 0.00 -1.18 0.00 0.00 61.69 60.75 3i7n s THR 700 Cb -0.10 -0.89 0.03 0.00 1.34 0.00 0.00 72.50 72.88 3i7n s THR 700 CO 0.22 -0.13 0.34 0.27 -0.54 0.00 0.00 174.62 174.78 3i7n s ILE 701 N -1.73 0.01 0.00 2.99 -0.00 -1.23 -0.58 121.20 120.67 3i7n s ILE 701 Ca -0.09 -0.12 0.00 0.00 -0.00 0.00 0.00 60.65 60.44 3i7n s ILE 701 Cb -0.02 -0.52 0.00 0.00 -0.00 0.00 0.00 42.46 41.92 3i7n s ILE 701 CO 0.04 -0.06 0.00 0.61 -0.00 0.00 0.00 174.94 175.52 3i7n n GLY 702 N 2.48 1.31 2.89 6.27 0.00 -0.35 -2.44 105.19 115.34 3i7n n GLY 702 Ca -0.15 -0.96 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 3i7n n GLY 702 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i7n n THR 703 N -0.54 0.00 -4.38 2.61 -2.24 -1.26 -1.84 114.28 106.63 3i7n n THR 703 Ca 0.00 -0.91 -0.24 0.00 -2.27 0.00 0.00 64.05 60.62 3i7n n THR 703 Cb 0.00 -1.38 -0.09 0.00 -2.10 0.00 0.00 70.33 66.76 3i7n n THR 703 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3i7n s ILE 704 N -2.80 2.73 0.00 2.28 -1.09 -1.26 -3.55 121.20 117.51 3i7n s ILE 704 Ca 0.54 -2.08 0.00 0.00 -2.23 0.00 0.00 60.65 56.88 3i7n s ILE 704 Cb -0.02 -2.68 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 3i7n s ILE 704 CO 0.37 -0.28 0.00 0.47 -1.23 0.00 0.00 174.94 174.27 3i7n n ASP 705 N -0.85 0.00 0.00 3.58 9.92 -1.06 -5.01 116.55 123.13 3i7n n ASP 705 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 3i7n n ASP 705 Cb 0.61 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 3i7n n ASP 705 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3i7n n GLU 706 N 0.00 0.00 0.00 -1.24 4.07 -1.26 -5.05 120.64 117.16 3i7n n GLU 706 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3i7n n GLU 706 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3i7n n GLU 706 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3i7n n ILE 707 N 0.00 0.00 -0.43 6.31 5.41 -1.26 -5.11 119.36 124.29 3i7n n ILE 707 Ca 0.00 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.58 3i7n n ILE 707 Cb 0.00 0.00 0.17 0.00 -0.71 0.00 0.00 39.64 39.10 3i7n n ILE 707 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i7n n GLN 708 N -2.01 -2.01 0.11 0.38 10.64 -1.26 -4.77 117.38 118.46 3i7n n GLN 708 Ca 0.00 -0.83 -0.04 0.00 -1.83 0.00 0.00 57.00 54.29 3i7n n GLN 708 Cb 0.00 -1.49 0.09 0.00 -0.86 0.00 0.00 30.24 27.98 3i7n n GLN 708 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 3i7n h LYS 709 N 0.00 0.08 -5.54 2.61 3.64 -1.95 -3.43 116.57 111.98 3i7n h LYS 709 Ca -0.23 -0.07 -0.67 0.00 -1.27 0.00 0.00 60.65 58.41 3i7n h LYS 709 Cb 0.76 0.02 -0.29 0.00 -0.41 0.00 0.00 32.23 32.31 3i7n h LYS 709 CO 0.14 0.76 -0.82 -0.51 -2.27 0.00 0.00 179.45 176.74 3i7n s LEU 710 N -7.51 2.41 -0.14 5.20 1.43 -1.26 -0.14 118.68 118.66 3i7n s LEU 710 Ca -0.02 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 3i7n s LEU 710 Cb 0.12 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 3i7n s LEU 710 CO 0.79 0.19 0.06 -2.28 0.23 0.00 0.00 176.35 175.35 3i7n s HIS 711 N 0.15 3.31 -0.10 0.29 5.65 0.91 -4.93 115.29 120.57 3i7n s HIS 711 Ca -0.10 0.22 0.03 0.00 0.25 0.00 0.00 55.06 55.46 3i7n s HIS 711 Cb -0.16 -1.96 0.01 0.00 -1.18 0.00 0.00 32.58 29.29 3i7n s HIS 711 CO 0.06 0.39 -0.18 0.42 -0.65 0.00 0.00 174.74 174.78 3i7n s ILE 712 N -0.34 1.69 -0.36 0.89 1.01 -1.26 -0.73 121.20 122.10 3i7n s ILE 712 Ca 0.09 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.99 3i7n s ILE 712 Cb -0.12 -1.50 0.10 0.00 0.01 0.00 0.00 42.46 40.95 3i7n s ILE 712 CO 0.02 0.48 0.09 -0.60 0.00 0.00 0.00 174.94 174.92 3i7n s ARG 713 N 0.71 1.60 0.05 2.79 3.52 0.26 -4.93 118.95 122.95 3i7n s ARG 713 Ca -0.12 -1.90 -0.31 0.00 -0.13 0.00 0.00 55.73 53.28 3i7n s ARG 713 Cb -0.16 -3.29 -0.07 0.00 -1.56 0.00 0.00 34.95 29.87 3i7n s ARG 713 CO 0.02 -0.97 1.42 0.99 -0.81 0.00 0.00 175.30 175.95 3i7n s THR 714 N 0.91 3.51 -0.60 4.11 2.01 -1.26 -1.79 115.64 122.52 3i7n s THR 714 Ca 0.11 0.98 -0.06 0.00 0.31 0.00 0.00 61.69 63.03 3i7n s THR 714 Cb -0.20 -3.63 0.16 0.00 0.01 0.00 0.00 72.50 68.84 3i7n s THR 714 CO -0.07 0.02 0.44 -0.69 -0.69 0.00 0.00 174.62 173.64 3i7n s VAL 715 N 1.98 4.07 -0.14 3.82 1.01 0.18 -4.96 120.40 126.36 3i7n s VAL 715 Ca 0.65 -2.53 -0.32 0.00 0.00 0.00 0.00 61.98 59.78 3i7n s VAL 715 Cb -0.34 -3.64 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 3i7n s VAL 715 CO 0.28 -0.86 2.03 -2.65 0.00 0.00 0.00 175.10 173.90 3i7n n PRO 716 N 3.99 2.06 0.03 2.72 -0.01 -1.26 -1.71 135.00 140.82 3i7n n PRO 716 Ca 0.04 0.70 0.11 0.00 -0.01 0.00 0.00 63.50 64.34 3i7n n PRO 716 Cb 0.40 -2.81 -0.07 0.00 -0.01 0.00 0.00 33.50 31.01 3i7n n PRO 716 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 175.50 176.77 3i7n n LEU 717 N 8.48 0.44 0.00 2.45 4.77 -0.60 -4.90 117.00 127.63 3i7n n LEU 717 Ca 0.27 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 3i7n n LEU 717 Cb 0.34 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3i7n n LEU 717 CO 0.71 -0.03 0.00 -1.22 -1.33 0.00 0.00 177.39 175.53 3i7n n TYR 718 N -2.26 0.00 -4.17 -1.77 4.02 -1.14 -1.37 117.16 110.47 3i7n n TYR 718 Ca -0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.73 3i7n n TYR 718 Cb 0.52 -1.29 -0.06 0.00 -0.02 0.00 0.00 39.34 38.49 3i7n n TYR 718 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3i7n n GLU 719 N -1.57 0.41 -3.09 -0.72 0.28 -1.14 -3.65 120.64 111.16 3i7n n GLU 719 Ca 0.00 -2.69 -0.44 0.00 -0.16 0.00 0.00 57.16 53.87 3i7n n GLU 719 Cb 0.08 2.30 -0.05 0.00 1.43 0.00 0.00 31.44 35.19 3i7n n GLU 719 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3i7n s SER 720 N -2.93 6.21 0.55 -1.84 1.04 -0.65 -3.18 113.70 112.90 3i7n s SER 720 Ca 0.31 -1.06 -0.20 0.00 0.48 0.00 0.00 55.95 55.48 3i7n s SER 720 Cb 0.01 -2.32 -0.05 0.00 0.10 0.00 0.00 66.02 63.76 3i7n s SER 720 CO 0.22 -1.04 1.21 -2.16 0.98 0.00 0.00 173.24 172.45 3i7n s PRO 721 N 2.87 3.25 -0.01 4.02 0.04 -1.26 -2.37 135.00 141.54 3i7n s PRO 721 Ca 0.16 1.84 -0.00 0.00 0.04 0.00 0.00 61.00 63.03 3i7n s PRO 721 Cb -0.20 -2.10 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 3i7n s PRO 721 CO 0.10 -0.99 -0.01 0.54 0.04 0.00 0.00 177.00 176.69 3i7n n ARG 722 N -1.20 0.01 -4.15 4.56 5.12 0.23 -4.75 116.66 116.50 3i7n n ARG 722 Ca 0.11 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.94 3i7n n ARG 722 Cb 0.49 -0.76 -0.10 0.00 -1.16 0.00 0.00 32.46 30.93 3i7n n ARG 722 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3i7n s LYS 723 N -2.01 0.77 -0.12 5.56 -0.14 -1.21 -4.30 119.74 118.29 3i7n s LYS 723 Ca -0.01 -1.30 -0.07 0.00 -1.36 0.00 0.00 55.97 53.23 3i7n s LYS 723 Cb 0.00 -0.07 0.05 0.00 -1.68 0.00 0.00 37.83 36.12 3i7n s LYS 723 CO 0.01 -0.05 0.28 -1.50 -0.76 0.00 0.00 175.35 173.34 3i7n s ILE 724 N -3.72 -0.03 0.05 2.17 2.07 -1.26 -1.44 121.20 119.05 3i7n s ILE 724 Ca 0.11 0.11 0.06 0.00 -1.41 0.00 0.00 60.65 59.52 3i7n s ILE 724 Cb 0.06 -0.43 -0.03 0.00 0.13 0.00 0.00 42.46 42.20 3i7n s ILE 724 CO -0.06 0.05 -0.17 0.00 -1.91 0.00 0.00 174.94 172.84 3i7n s TYR 726 N -0.95 3.30 -0.94 0.00 5.04 -1.26 0.23 117.35 122.77 3i7n s TYR 726 Ca 0.03 -1.32 -0.18 0.00 -2.44 0.00 0.00 57.07 53.16 3i7n s TYR 726 Cb -0.09 -2.76 0.14 0.00 0.35 0.00 0.00 41.96 39.60 3i7n s TYR 726 CO 0.02 -0.78 1.13 -1.14 -1.34 0.00 0.00 175.55 173.44 3i7n s GLN 727 N 1.47 3.63 0.13 4.97 0.74 -0.77 -4.91 119.66 124.92 3i7n s GLN 727 Ca 0.02 -1.84 -0.25 0.00 0.05 0.00 0.00 55.36 53.34 3i7n s GLN 727 Cb -0.22 -4.90 -0.04 0.00 1.10 0.00 0.00 33.01 28.95 3i7n s GLN 727 CO 0.04 -1.75 1.64 1.49 -0.55 0.00 0.00 175.29 176.16 3i7n h GLU 728 N 8.69 -0.33 -1.11 1.67 4.81 -1.97 -1.50 114.58 124.83 3i7n h GLU 728 Ca 0.16 0.02 0.34 0.00 -0.13 0.00 0.00 59.36 59.76 3i7n h GLU 728 Cb 1.02 0.08 -0.13 0.00 0.63 0.00 0.00 28.75 30.34 3i7n h GLU 728 CO 1.10 -0.22 0.69 -0.39 -0.73 0.00 0.00 179.01 179.45 3i7n h VAL 729 N -0.34 0.30 -0.08 0.32 -1.51 -1.96 0.87 116.25 113.85 3i7n h VAL 729 Ca 0.07 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 3i7n h VAL 729 Cb 0.45 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.62 3i7n h VAL 729 CO -0.24 0.05 0.00 -1.20 -1.23 0.00 0.00 177.57 174.95 3i7n n SER 730 N -4.83 1.84 -3.64 4.19 7.64 -0.65 -4.95 113.62 113.23 3i7n n SER 730 Ca 0.32 -1.64 -0.27 0.00 1.01 0.00 0.00 58.87 58.29 3i7n n SER 730 Cb 1.10 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 64.24 3i7n n SER 730 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i7n n GLN 731 N 0.43 -3.06 -4.14 1.43 1.13 0.30 -4.94 117.38 108.53 3i7n n GLN 731 Ca 0.18 0.38 -0.14 0.00 -1.94 0.00 0.00 57.00 55.48 3i7n n GLN 731 Cb 0.39 -5.07 -0.07 0.00 0.11 0.00 0.00 30.24 25.61 3i7n n GLN 731 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i7n s PHE 733 N -3.57 2.74 -0.11 0.00 0.40 0.37 -1.85 117.98 115.96 3i7n s PHE 733 Ca 0.33 -0.14 -0.06 0.00 -0.60 0.00 0.00 56.93 56.46 3i7n s PHE 733 Cb 0.02 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 3i7n s PHE 733 CO 0.18 0.34 0.13 0.20 0.70 0.00 0.00 175.22 176.77 3i7n s GLY 734 N -1.56 2.14 -0.06 4.36 0.00 0.14 -0.55 107.32 111.79 3i7n s GLY 734 Ca 0.17 -0.66 -0.02 0.00 0.00 0.00 0.00 44.72 44.21 3i7n s GLY 734 CO 0.08 -0.41 0.12 0.14 0.00 0.00 0.00 173.10 173.03 3i7n s VAL 735 N -1.04 -0.13 0.10 1.40 1.01 -0.89 -0.92 120.40 119.93 3i7n s VAL 735 Ca 0.16 0.28 -0.22 0.00 0.00 0.00 0.00 61.98 62.19 3i7n s VAL 735 Cb -0.12 -0.22 -0.07 0.00 0.00 0.00 0.00 36.38 35.97 3i7n s VAL 735 CO 0.05 0.12 0.67 -0.76 0.00 0.00 0.00 175.10 175.18 3i7n s LEU 736 N 1.67 4.54 0.04 3.92 1.43 -0.52 -0.72 118.68 129.04 3i7n s LEU 736 Ca -0.03 1.43 -0.01 0.00 -1.03 0.00 0.00 54.13 54.49 3i7n s LEU 736 Cb -0.12 -3.09 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 3i7n s LEU 736 CO -0.05 0.21 -0.03 -0.94 0.23 0.00 0.00 176.35 175.77 3i7n s SER 737 N -0.97 0.45 -0.02 2.29 1.04 -0.22 0.77 113.70 117.05 3i7n s SER 737 Ca 0.33 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.92 3i7n s SER 737 Cb -0.21 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.09 3i7n s SER 737 CO 0.22 -0.50 0.01 -0.55 0.98 0.00 0.00 173.24 173.41 3i7n s SER 738 N -2.46 0.16 0.13 7.02 0.15 -1.00 -1.87 113.70 115.83 3i7n s SER 738 Ca -0.00 0.01 0.10 0.00 0.70 0.00 0.00 55.95 56.76 3i7n s SER 738 Cb 0.02 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.20 3i7n s SER 738 CO -0.07 -0.09 -0.25 0.00 1.20 0.00 0.00 173.24 174.04 3i7n s ARG 739 N 0.80 1.33 0.16 5.44 1.70 -0.22 -1.64 118.95 126.52 3i7n s ARG 739 Ca -0.07 -1.32 -0.03 0.00 -0.47 0.00 0.00 55.73 53.84 3i7n s ARG 739 Cb -0.10 -1.73 -0.05 0.00 -0.57 0.00 0.00 34.95 32.50 3i7n s ARG 739 CO -0.02 0.40 0.36 0.42 -1.08 0.00 0.00 175.30 175.39 3i7n s ILE 740 N -1.19 5.20 0.07 4.99 1.01 -1.26 0.50 121.20 130.53 3i7n s ILE 740 Ca 0.13 -0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.50 3i7n s ILE 740 Cb -0.10 -3.67 0.01 0.00 0.01 0.00 0.00 42.46 38.72 3i7n s ILE 740 CO 0.06 -0.03 0.26 -1.61 0.00 0.00 0.00 174.94 173.62 3i7n s GLU 741 N -2.90 0.83 0.13 2.79 2.02 0.24 -4.25 118.70 117.57 3i7n s GLU 741 Ca 0.39 -0.70 0.09 0.00 0.02 0.00 0.00 54.97 54.78 3i7n s GLU 741 Cb -0.12 0.35 -0.04 0.00 0.10 0.00 0.00 34.13 34.42 3i7n s GLU 741 CO 0.27 -0.27 -0.19 0.14 0.02 0.00 0.00 175.26 175.23 3i7n s VAL 742 N -3.13 2.75 0.14 2.63 -7.23 -1.26 -1.62 120.40 112.67 3i7n s VAL 742 Ca -0.01 -1.61 -0.33 0.00 -1.81 0.00 0.00 61.98 58.23 3i7n s VAL 742 Cb 0.01 -2.27 -0.13 0.00 0.56 0.00 0.00 36.38 34.56 3i7n s VAL 742 CO -0.07 0.06 1.70 0.00 -0.31 0.00 0.00 175.10 176.48 3i7n n GLN 743 N 0.69 2.45 -2.16 4.82 10.64 0.32 -2.22 117.38 131.91 3i7n n GLN 743 Ca -0.15 0.89 -0.26 0.00 -1.83 0.00 0.00 57.00 55.64 3i7n n GLN 743 Cb 0.53 -2.71 0.07 0.00 -0.86 0.00 0.00 30.24 27.27 3i7n n GLN 743 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3i7n s ASP 744 N 1.66 4.78 0.30 2.61 1.11 0.96 -3.06 116.67 125.03 3i7n s ASP 744 Ca 0.80 0.51 0.19 0.00 0.18 0.00 0.00 52.55 54.23 3i7n s ASP 744 Cb -0.59 -1.14 0.13 0.00 1.07 0.00 0.00 42.92 42.39 3i7n s ASP 744 CO 0.38 -1.63 1.37 0.71 1.18 0.00 0.00 175.17 177.18 3i7n h THR 745 N -0.66 0.38 0.00 -1.27 1.35 -1.94 -1.57 112.91 109.21 3i7n h THR 745 Ca -0.45 -1.57 -0.00 0.00 -0.55 0.00 0.00 66.41 63.84 3i7n h THR 745 Cb 1.32 2.09 -0.00 0.00 -1.73 0.00 0.00 68.15 69.83 3i7n h THR 745 CO 0.61 0.22 -0.00 0.77 -0.25 0.00 0.00 175.52 176.87 3i7n h SER 746 N 0.00 0.00 0.00 5.36 4.64 -2.02 -3.46 113.55 118.07 3i7n h SER 746 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3i7n h SER 746 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3i7n h SER 746 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 3i7n n GLY 747 N -0.66 3.22 0.00 -0.77 0.00 -0.59 -5.06 105.19 101.33 3i7n n GLY 747 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3i7n n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7n n GLY 748 N -1.57 -2.79 3.22 -0.02 0.00 -1.26 -3.96 105.19 98.81 3i7n n GLY 748 Ca 0.00 -1.39 -0.28 0.00 0.00 0.00 0.00 46.02 44.35 3i7n n GLY 748 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i7n s THR 749 N -0.99 1.67 0.00 2.61 -4.23 -1.26 0.32 115.64 113.76 3i7n s THR 749 Ca 0.00 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 3i7n s THR 749 Cb 0.00 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.44 3i7n s THR 749 CO 0.00 0.47 0.00 0.35 -0.54 0.00 0.00 174.62 174.90 3i7n n THR 750 N 2.69 0.00 0.00 3.99 -2.24 -0.94 -4.91 114.28 112.86 3i7n n THR 750 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3i7n n THR 750 Cb 0.53 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 3i7n n THR 750 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7n n ALA 751 N -2.30 0.00 0.32 6.98 0.00 -1.26 -4.85 120.51 119.40 3i7n n ALA 751 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3i7n n ALA 751 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3i7n n ALA 751 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i7n n LEU 752 N 0.00 0.33 -3.56 0.00 4.77 -1.26 -4.84 117.00 112.44 3i7n n LEU 752 Ca 0.00 -0.20 -0.06 0.00 -0.03 0.00 0.00 56.01 55.72 3i7n n LEU 752 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3i7n n LEU 752 CO 0.00 0.08 0.88 0.00 -1.33 0.00 0.00 177.39 177.02 3i7n s ARG 753 N -3.04 0.51 0.21 3.23 1.70 -1.26 -5.14 118.95 115.16 3i7n s ARG 753 Ca -0.01 -0.17 -0.31 0.00 -0.47 0.00 0.00 55.73 54.77 3i7n s ARG 753 Cb 0.12 0.24 -0.10 0.00 -0.57 0.00 0.00 34.95 34.64 3i7n s ARG 753 CO 0.75 -0.22 1.49 -1.25 -1.08 0.00 0.00 175.30 174.99 3i7n s PRO 754 N -2.60 4.25 0.46 3.89 0.04 -1.26 -5.01 135.00 134.76 3i7n s PRO 754 Ca 0.07 2.32 0.03 0.00 0.04 0.00 0.00 61.00 63.46 3i7n s PRO 754 Cb -0.01 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 3i7n s PRO 754 CO -0.06 -0.49 0.04 -1.12 0.04 0.00 0.00 177.00 175.41 3i7n s SER 755 N 0.68 3.59 0.61 6.66 0.01 -1.26 -4.92 113.70 119.06 3i7n s SER 755 Ca 0.63 -1.61 0.33 0.00 1.31 0.00 0.00 55.95 56.62 3i7n s SER 755 Cb -0.42 0.36 1.94 0.00 0.21 0.00 0.00 66.02 68.10 3i7n s SER 755 CO 0.39 -0.81 2.25 0.00 0.41 0.00 0.00 173.24 175.48 3i7n h ALA 756 N 1.58 1.44 0.00 1.44 0.00 -1.54 -2.08 119.26 120.11 3i7n h ALA 756 Ca -0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3i7n h ALA 756 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3i7n h ALA 756 CO 0.70 -0.05 -0.63 0.66 0.00 0.00 0.00 179.25 179.93 3i7n h SER 757 N 0.00 0.00 0.35 0.00 4.64 -1.96 -3.19 113.55 113.39 3i7n h SER 757 Ca 0.01 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.12 3i7n h SER 757 Cb 0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3i7n h SER 757 CO -0.00 0.05 -1.75 0.35 -0.87 0.00 0.00 176.83 174.61 3i7n n THR 758 N -2.43 0.67 -0.49 2.95 -2.24 -0.89 -3.94 114.28 107.90 3i7n n THR 758 Ca 0.02 -0.62 0.10 0.00 -2.27 0.00 0.00 64.05 61.28 3i7n n THR 758 Cb 0.49 -0.33 0.32 0.00 -2.10 0.00 0.00 70.33 68.71 3i7n n THR 758 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7n n GLN 759 N -2.58 3.23 -1.56 -0.78 1.13 -0.83 -4.94 117.38 111.05 3i7n n GLN 759 Ca -0.10 -2.73 -0.44 0.00 -1.94 0.00 0.00 57.00 51.79 3i7n n GLN 759 Cb 0.75 -1.71 -0.01 0.00 0.11 0.00 0.00 30.24 29.38 3i7n n GLN 759 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i7n n ALA 760 N 1.24 -0.52 -0.16 -1.58 0.00 -1.20 -4.93 120.51 113.36 3i7n n ALA 760 Ca 0.24 0.32 -0.09 0.00 0.00 0.00 0.00 53.44 53.91 3i7n n ALA 760 Cb 0.74 -1.97 -0.00 0.00 0.00 0.00 0.00 19.45 18.23 3i7n n ALA 760 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i7n h LEU 761 N 1.63 0.69 0.00 0.00 3.38 -1.00 -3.45 115.31 116.57 3i7n h LEU 761 Ca -0.40 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.34 3i7n h LEU 761 Cb 1.36 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3i7n h LEU 761 CO 0.58 0.75 0.00 -1.54 0.09 0.00 0.00 178.44 178.32 3i7n n SER 762 N -4.50 1.14 -3.70 -0.43 3.41 -0.54 -5.04 113.62 103.96 3i7n n SER 762 Ca 0.01 -0.92 0.04 0.00 -0.26 0.00 0.00 58.87 57.73 3i7n n SER 762 Cb 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3i7n n SER 762 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3i7n s SER 763 N -0.85 -0.00 -0.22 4.04 1.04 -1.26 -2.96 113.70 113.49 3i7n s SER 763 Ca 0.00 -0.02 -0.35 0.00 0.48 0.00 0.00 55.95 56.06 3i7n s SER 763 Cb 0.00 0.02 0.15 0.00 0.10 0.00 0.00 66.02 66.29 3i7n s SER 763 CO 0.00 -0.04 1.25 -0.94 0.98 0.00 0.00 173.24 174.49 3i7n s SER 764 N -3.31 -0.11 0.30 7.02 1.04 -0.30 -4.88 113.70 113.46 3i7n s SER 764 Ca 0.21 0.03 0.06 0.00 0.48 0.00 0.00 55.95 56.72 3i7n s SER 764 Cb 0.05 0.11 -0.06 0.00 0.10 0.00 0.00 66.02 66.22 3i7n s SER 764 CO -0.05 -0.17 -0.02 0.54 0.98 0.00 0.00 173.24 174.52 3i7n s VAL 765 N -2.07 1.54 0.10 5.02 0.11 -1.26 -1.07 120.40 122.77 3i7n s VAL 765 Ca 0.09 -2.08 -0.30 0.00 -2.93 0.00 0.00 61.98 56.76 3i7n s VAL 765 Cb -0.01 -2.59 -0.06 0.00 -1.53 0.00 0.00 36.38 32.19 3i7n s VAL 765 CO -0.04 -0.19 1.02 -0.44 -3.33 0.00 0.00 175.10 172.12 3i7n s SER 766 N -3.48 7.38 -0.18 3.54 0.01 -0.61 -4.90 113.70 115.47 3i7n s SER 766 Ca 0.32 1.87 -0.14 0.00 1.31 0.00 0.00 55.95 59.30 3i7n s SER 766 Cb 0.06 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.63 3i7n s SER 766 CO 0.13 -0.18 -0.20 -1.54 0.41 0.00 0.00 173.24 171.87 3i7n n SER 767 N 3.00 1.87 0.00 2.44 3.41 -1.26 -4.89 113.62 118.19 3i7n n SER 767 Ca 0.04 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 3i7n n SER 767 Cb 0.48 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 3i7n n SER 767 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3i7n n SER 768 N -4.51 0.00 -0.13 4.04 2.88 -1.26 -4.92 113.62 109.72 3i7n n SER 768 Ca -0.17 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.40 3i7n n SER 768 Cb 0.46 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.98 3i7n n SER 768 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i7n n LYS 769 N 0.00 2.64 -0.05 -1.46 4.76 -1.26 -4.80 118.16 117.99 3i7n n LYS 769 Ca 0.00 -1.84 0.24 0.00 -2.87 0.00 0.00 58.31 53.84 3i7n n LYS 769 Cb 0.00 -1.17 0.60 0.00 -1.84 0.00 0.00 35.03 32.63 3i7n n LYS 769 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3i7n h LEU 770 N 0.33 0.00 0.00 -0.35 3.38 -2.04 -3.42 115.31 113.21 3i7n h LEU 770 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 3i7n h LEU 770 Cb 0.67 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 3i7n h LEU 770 CO 0.01 0.00 -0.26 0.49 0.09 0.00 0.00 178.44 178.76 3i7n n PHE 771 N -3.46 0.22 0.04 1.13 3.01 -1.26 -5.09 117.46 112.04 3i7n n PHE 771 Ca 0.15 -1.56 0.00 0.00 1.01 0.00 0.00 57.45 57.04 3i7n n PHE 771 Cb 1.05 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 40.28 3i7n n PHE 771 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3i7n n SER 772 N -1.42 -0.59 -4.72 4.37 7.64 -1.26 -5.21 113.62 112.42 3i7n n SER 772 Ca -0.10 0.14 -0.42 0.00 1.01 0.00 0.00 58.87 59.51 3i7n n SER 772 Cb 0.41 0.91 -0.03 0.00 -1.01 0.00 0.00 64.21 64.48 3i7n n SER 772 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3i7n s SER 773 N -2.50 6.84 0.00 6.43 1.04 -1.26 -5.28 113.70 118.98 3i7n s SER 773 Ca 0.00 2.35 0.00 0.00 0.48 0.00 0.00 55.95 58.78 3i7n s SER 773 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 3i7n s SER 773 CO 0.00 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.21 3i7n n GLY 783 N 3.18 0.00 3.66 7.32 0.00 -1.17 -5.23 105.19 112.96 3i7n n GLY 783 Ca 0.10 0.01 -0.48 0.00 0.00 0.00 0.00 46.02 45.65 3i7n n GLY 783 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i7n n GLU 784 N 0.00 1.99 -3.83 1.61 1.02 -1.26 -4.61 120.64 115.56 3i7n n GLU 784 Ca 0.00 0.72 -0.30 0.00 -0.02 0.00 0.00 57.16 57.56 3i7n n GLU 784 Cb 0.00 -2.49 -0.04 0.00 -0.02 0.00 0.00 31.44 28.89 3i7n n GLU 784 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3i7n s GLU 785 N 1.55 3.50 0.10 3.49 2.02 -1.26 -0.52 118.70 127.57 3i7n s GLU 785 Ca 0.83 -0.36 -0.22 0.00 0.02 0.00 0.00 54.97 55.24 3i7n s GLU 785 Cb -0.73 -2.95 0.06 0.00 0.10 0.00 0.00 34.13 30.61 3i7n s GLU 785 CO 0.43 0.53 0.53 0.54 0.02 0.00 0.00 175.26 177.30 3i7n s VAL 786 N -1.64 0.03 -0.09 2.63 0.11 -0.64 -4.96 120.40 115.83 3i7n s VAL 786 Ca 0.37 -0.22 -0.03 0.00 -2.93 0.00 0.00 61.98 59.17 3i7n s VAL 786 Cb -0.12 -1.03 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 3i7n s VAL 786 CO 0.27 -0.12 0.04 -1.61 -3.33 0.00 0.00 175.10 170.36 3i7n s GLU 787 N -3.22 3.10 -0.12 1.54 2.02 -1.26 -0.59 118.70 120.18 3i7n s GLU 787 Ca -0.01 -0.34 0.02 0.00 0.02 0.00 0.00 54.97 54.66 3i7n s GLU 787 Cb -0.00 -2.90 -0.00 0.00 0.10 0.00 0.00 34.13 31.33 3i7n s GLU 787 CO -0.08 0.72 -0.20 0.08 0.02 0.00 0.00 175.26 175.80 3i7n s VAL 788 N -0.93 2.39 0.13 2.63 1.01 0.18 -4.58 120.40 121.23 3i7n s VAL 788 Ca 0.14 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.28 3i7n s VAL 788 Cb -0.12 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3i7n s VAL 788 CO 0.03 0.54 0.07 -1.00 0.00 0.00 0.00 175.10 174.74 3i7n s HIS 789 N 0.48 3.06 -0.08 5.22 3.76 -1.26 -1.06 115.29 125.41 3i7n s HIS 789 Ca -0.13 -0.03 -0.11 0.00 -0.15 0.00 0.00 55.06 54.64 3i7n s HIS 789 Cb -0.17 -1.51 0.03 0.00 1.11 0.00 0.00 32.58 32.04 3i7n s HIS 789 CO 0.05 0.51 0.28 -0.80 -0.85 0.00 0.00 174.74 173.94 3i7n s ASN 790 N -2.76 -0.26 -0.09 1.40 0.01 -0.78 -1.33 114.94 111.12 3i7n s ASN 790 Ca 0.29 0.44 -0.20 0.00 -0.71 0.00 0.00 52.86 52.68 3i7n s ASN 790 Cb -0.11 0.52 -0.04 0.00 0.41 0.00 0.00 41.25 42.03 3i7n s ASN 790 CO 0.21 -0.18 0.56 -0.22 -1.51 0.00 0.00 177.10 175.95 3i7n s LEU 791 N -0.23 4.30 0.05 0.60 2.96 -0.48 -1.05 118.68 124.83 3i7n s LEU 791 Ca -0.04 0.96 0.06 0.00 -0.22 0.00 0.00 54.13 54.90 3i7n s LEU 791 Cb -0.03 -2.84 -0.03 0.00 0.50 0.00 0.00 46.19 43.79 3i7n s LEU 791 CO 0.01 -0.03 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.11 3i7n s LEU 792 N 0.63 2.82 -0.31 -0.68 1.43 0.10 -0.67 118.68 122.01 3i7n s LEU 792 Ca 0.30 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 3i7n s LEU 792 Cb -0.16 -1.65 0.05 0.00 0.03 0.00 0.00 46.19 44.46 3i7n s LEU 792 CO 0.13 0.24 0.03 -0.63 0.23 0.00 0.00 176.35 176.35 3i7n s ILE 793 N -1.01 3.20 -0.20 -0.59 -1.09 0.40 -2.09 121.20 119.81 3i7n s ILE 793 Ca 0.17 -1.31 -0.05 0.00 -2.23 0.00 0.00 60.65 57.23 3i7n s ILE 793 Cb -0.11 -2.83 -0.02 0.00 -1.58 0.00 0.00 42.46 37.92 3i7n s ILE 793 CO 0.08 -0.12 0.01 -0.63 -1.23 0.00 0.00 174.94 173.05 3i7n s ILE 794 N 1.29 4.01 0.34 2.92 1.01 0.29 0.36 121.20 131.43 3i7n s ILE 794 Ca -0.04 -0.29 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 3i7n s ILE 794 Cb -0.20 -2.82 -0.11 0.00 0.01 0.00 0.00 42.46 39.35 3i7n s ILE 794 CO -0.00 0.42 1.40 -0.62 0.00 0.00 0.00 174.94 176.14 3i7n s ASP 795 N 1.04 6.57 0.34 3.58 -1.08 0.06 -0.48 116.67 126.70 3i7n s ASP 795 Ca 0.02 2.85 0.26 0.00 -0.52 0.00 0.00 52.55 55.16 3i7n s ASP 795 Cb -0.14 -2.65 0.76 0.00 -1.46 0.00 0.00 42.92 39.42 3i7n s ASP 795 CO 0.02 -0.70 1.74 0.06 0.52 0.00 0.00 175.17 176.81 3i7n h GLN 796 N 3.43 0.00 0.02 4.34 3.07 -1.71 -1.13 115.11 123.13 3i7n h GLN 796 Ca -0.49 0.00 -0.38 0.00 0.09 0.00 0.00 58.65 57.86 3i7n h GLN 796 Cb 1.23 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.74 3i7n h GLN 796 CO 0.67 0.00 -2.16 0.72 0.09 0.00 0.00 178.83 178.15 3i7n n HIS 797 N -2.66 0.41 0.85 0.06 8.25 -1.26 -4.59 115.22 116.29 3i7n n HIS 797 Ca 0.04 0.14 0.11 0.00 -0.26 0.00 0.00 57.72 57.75 3i7n n HIS 797 Cb 0.42 -1.05 0.07 0.00 1.12 0.00 0.00 29.99 30.54 3i7n n HIS 797 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3i7n n THR 798 N -3.98 0.06 -4.36 1.59 -2.24 -1.25 -4.96 114.28 99.14 3i7n n THR 798 Ca -0.45 -0.08 -0.39 0.00 -2.27 0.00 0.00 64.05 60.86 3i7n n THR 798 Cb 0.88 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 69.52 3i7n n THR 798 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3i7n n PHE 799 N -1.66 -1.51 -3.10 4.78 3.01 -0.43 -4.97 117.46 113.59 3i7n n PHE 799 Ca 0.04 0.76 -0.38 0.00 1.01 0.00 0.00 57.45 58.88 3i7n n PHE 799 Cb 0.37 -2.51 -0.06 0.00 -0.01 0.00 0.00 39.48 37.27 3i7n n PHE 799 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3i7n s GLU 800 N -7.06 4.35 -0.90 -1.08 2.02 -1.26 -4.79 118.70 109.98 3i7n s GLU 800 Ca 0.78 0.94 -0.25 0.00 0.02 0.00 0.00 54.97 56.46 3i7n s GLU 800 Cb -0.44 -3.09 -0.07 0.00 0.10 0.00 0.00 34.13 30.63 3i7n s GLU 800 CO 0.97 0.51 2.04 0.08 0.02 0.00 0.00 175.26 178.88 3i7n s VAL 801 N -1.30 3.36 0.06 2.63 1.01 -1.26 -0.76 120.40 124.13 3i7n s VAL 801 Ca 0.37 -0.32 -0.35 0.00 0.00 0.00 0.00 61.98 61.68 3i7n s VAL 801 Cb -0.20 -3.84 -0.20 0.00 0.00 0.00 0.00 36.38 32.15 3i7n s VAL 801 CO 0.22 -0.75 1.59 -0.07 0.00 0.00 0.00 175.10 176.10 3i7n h LEU 802 N 18.89 -0.97 -8.66 3.92 3.38 -0.46 -0.41 115.31 131.00 3i7n h LEU 802 Ca 0.08 0.03 -0.45 0.00 0.09 0.00 0.00 57.88 57.64 3i7n h LEU 802 Cb 1.00 0.25 -0.18 0.00 0.09 0.00 0.00 40.66 41.82 3i7n h LEU 802 CO 1.17 -0.69 -0.77 -2.28 0.09 0.00 0.00 178.44 175.96 3i7n s HIS 803 N -6.00 1.52 -0.12 1.13 5.04 -1.19 -1.46 115.29 114.21 3i7n s HIS 803 Ca -0.19 -0.53 -0.01 0.00 -1.54 0.00 0.00 55.06 52.80 3i7n s HIS 803 Cb 0.03 -0.78 0.03 0.00 0.04 0.00 0.00 32.58 31.89 3i7n s HIS 803 CO 0.61 0.19 -0.06 0.00 -2.34 0.00 0.00 174.74 173.14 3i7n s ALA 804 N -2.10 1.28 -0.37 1.58 0.00 -1.16 -0.45 121.76 120.54 3i7n s ALA 804 Ca 0.11 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 3i7n s ALA 804 Cb -0.05 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.15 3i7n s ALA 804 CO 0.04 -0.51 0.21 -1.58 0.00 0.00 0.00 175.76 173.92 3i7n s HIS 805 N 1.73 3.24 0.02 0.00 5.04 0.16 -1.15 115.29 124.33 3i7n s HIS 805 Ca 0.04 -0.90 -0.26 0.00 -1.54 0.00 0.00 55.06 52.39 3i7n s HIS 805 Cb -0.13 -2.44 -0.04 0.00 0.04 0.00 0.00 32.58 30.00 3i7n s HIS 805 CO -0.08 -0.63 0.83 -1.14 -2.34 0.00 0.00 174.74 171.38 3i7n s GLN 806 N 1.57 4.52 0.30 2.88 0.74 -0.23 -1.38 119.66 128.07 3i7n s GLN 806 Ca 0.02 1.15 -0.05 0.00 0.05 0.00 0.00 55.36 56.54 3i7n s GLN 806 Cb -0.19 -3.41 0.07 0.00 1.10 0.00 0.00 33.01 30.58 3i7n s GLN 806 CO 0.07 0.14 0.41 1.19 -0.55 0.00 0.00 175.29 176.55 3i7n n PHE 807 N 3.29 -3.88 -1.47 1.67 3.01 -0.44 -1.57 117.46 118.07 3i7n n PHE 807 Ca 0.00 -0.41 -0.29 0.00 1.01 0.00 0.00 57.45 57.77 3i7n n PHE 807 Cb 0.51 -0.32 0.13 0.00 -0.01 0.00 0.00 39.48 39.79 3i7n n PHE 807 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i7n s LEU 808 N 0.00 2.10 -0.06 4.37 1.43 -1.26 -4.62 118.68 120.64 3i7n s LEU 808 Ca 0.24 1.10 -0.31 0.00 -1.03 0.00 0.00 54.13 54.12 3i7n s LEU 808 Cb -0.01 -3.48 -0.10 0.00 0.03 0.00 0.00 46.19 42.64 3i7n s LEU 808 CO 0.17 -2.50 1.99 1.67 0.23 0.00 0.00 176.35 177.90 3i7n n GLN 809 N -3.75 2.43 -1.63 1.70 7.27 -1.26 -1.75 117.38 120.38 3i7n n GLN 809 Ca 0.06 0.86 -0.07 0.00 0.07 0.00 0.00 57.00 57.92 3i7n n GLN 809 Cb 0.58 -2.89 -0.02 0.00 2.41 0.00 0.00 30.24 30.32 3i7n n GLN 809 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3i7n n ASN 810 N 7.93 -3.37 -4.44 1.69 3.02 -1.26 -5.00 115.26 113.83 3i7n n ASN 810 Ca 0.23 0.10 -0.43 0.00 -0.03 0.00 0.00 54.58 54.45 3i7n n ASN 810 Cb 0.37 -2.05 -0.09 0.00 -0.61 0.00 0.00 39.78 37.40 3i7n n ASN 810 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3i7n s GLU 811 N -3.41 2.97 0.10 3.52 2.12 -0.72 -2.09 118.70 121.19 3i7n s GLU 811 Ca 0.00 -1.11 -0.25 0.00 0.36 0.00 0.00 54.97 53.97 3i7n s GLU 811 Cb 0.00 -4.01 -0.07 0.00 0.26 0.00 0.00 34.13 30.31 3i7n s GLU 811 CO 0.00 -0.82 0.78 0.71 -0.54 0.00 0.00 175.26 175.39 3i7n s TYR 812 N 1.67 3.82 -0.29 5.30 4.12 -0.25 -4.32 117.35 127.39 3i7n s TYR 812 Ca 0.05 1.56 -0.09 0.00 0.02 0.00 0.00 57.07 58.61 3i7n s TYR 812 Cb -0.20 -2.81 -0.02 0.00 -1.52 0.00 0.00 41.96 37.41 3i7n s TYR 812 CO 0.09 0.38 0.13 0.00 0.02 0.00 0.00 175.55 176.17 3i7n s ALA 813 N -0.53 3.27 -0.03 3.71 0.00 -1.26 -0.42 121.76 126.49 3i7n s ALA 813 Ca 0.38 -1.29 0.10 0.00 0.00 0.00 0.00 51.96 51.14 3i7n s ALA 813 Cb -0.22 -2.31 -0.15 0.00 0.00 0.00 0.00 23.12 20.45 3i7n s ALA 813 CO 0.25 -0.76 0.18 1.28 0.00 0.00 0.00 175.76 176.70 3i7n n LEU 814 N 4.97 0.00 -4.20 0.00 4.77 -0.49 -4.87 117.00 117.18 3i7n n LEU 814 Ca -0.14 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.64 3i7n n LEU 814 Cb 0.50 0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.53 3i7n n LEU 814 CO 0.33 0.06 -0.46 -0.94 -1.33 0.00 0.00 177.39 175.04 3i7n s SER 815 N -3.42 1.88 -0.08 -1.43 1.04 -0.98 -4.90 113.70 105.81 3i7n s SER 815 Ca -0.04 -0.67 -0.05 0.00 0.48 0.00 0.00 55.95 55.67 3i7n s SER 815 Cb 0.06 -0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.14 3i7n s SER 815 CO 0.41 -0.07 0.19 -0.22 0.98 0.00 0.00 173.24 174.53 3i7n s LEU 816 N -1.93 0.99 0.06 2.42 2.96 -1.26 -1.92 118.68 120.00 3i7n s LEU 816 Ca 0.02 0.38 0.02 0.00 -0.22 0.00 0.00 54.13 54.34 3i7n s LEU 816 Cb -0.09 0.59 -0.03 0.00 0.50 0.00 0.00 46.19 47.16 3i7n s LEU 816 CO 0.03 -0.10 -0.08 0.68 -1.32 0.00 0.00 176.35 175.55 3i7n s VAL 817 N 0.58 0.65 -0.32 1.68 -7.23 -0.30 -4.88 120.40 110.58 3i7n s VAL 817 Ca -0.04 -1.33 0.01 0.00 -1.81 0.00 0.00 61.98 58.81 3i7n s VAL 817 Cb -0.05 -0.94 0.08 0.00 0.56 0.00 0.00 36.38 36.03 3i7n s VAL 817 CO -0.03 -0.49 0.03 -0.55 -0.31 0.00 0.00 175.10 173.75 3i7n s SER 818 N -1.98 4.83 0.08 4.85 0.15 -1.26 -1.17 113.70 119.20 3i7n s SER 818 Ca -0.03 -1.70 -0.16 0.00 0.70 0.00 0.00 55.95 54.76 3i7n s SER 818 Cb -0.06 -1.67 0.03 0.00 -1.71 0.00 0.00 66.02 62.60 3i7n s SER 818 CO -0.01 -0.33 0.37 0.00 1.20 0.00 0.00 173.24 174.47 3i7n s LYS 820 N -3.22 4.26 0.04 0.00 1.02 -1.26 -0.07 119.74 120.52 3i7n s LYS 820 Ca -0.01 0.90 0.05 0.00 0.02 0.00 0.00 55.97 56.93 3i7n s LYS 820 Cb 0.01 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.49 3i7n s LYS 820 CO -0.08 0.35 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.05 3i7n s LEU 821 N -2.11 2.18 0.00 3.17 1.43 -1.26 -4.77 118.68 117.32 3i7n s LEU 821 Ca 0.45 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 3i7n s LEU 821 Cb -0.16 -0.62 0.00 0.00 0.03 0.00 0.00 46.19 45.44 3i7n s LEU 821 CO 0.21 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.43 3i7n n GLY 822 N 1.82 1.15 0.15 -3.19 0.00 -0.22 -3.07 105.19 101.83 3i7n n GLY 822 Ca -0.18 -0.59 0.03 0.00 0.00 0.00 0.00 46.02 45.27 3i7n n GLY 822 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i7n h LYS 823 N 0.00 0.00 -6.00 1.61 6.56 -1.91 -3.46 116.57 113.37 3i7n h LYS 823 Ca 0.00 0.00 -0.85 0.00 -1.06 0.00 0.00 60.65 58.74 3i7n h LYS 823 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3i7n h LYS 823 CO 0.00 0.51 0.83 -3.47 -2.06 0.00 0.00 179.45 175.27 3i7n n ASP 824 N -3.40 1.15 -0.25 0.86 -0.08 -1.17 -4.89 116.55 108.77 3i7n n ASP 824 Ca 0.01 1.07 0.13 0.00 -1.51 0.00 0.00 54.79 54.49 3i7n n ASP 824 Cb 0.66 -0.89 0.62 0.00 2.34 0.00 0.00 41.12 43.84 3i7n n ASP 824 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3i7n n PRO 825 N 4.81 1.34 -3.10 -0.67 -0.04 -1.26 -4.12 135.00 131.96 3i7n n PRO 825 Ca 0.36 -0.50 -0.39 0.00 -0.04 0.00 0.00 63.50 62.93 3i7n n PRO 825 Cb -0.05 -1.42 -0.06 0.00 -0.04 0.00 0.00 33.50 31.93 3i7n n PRO 825 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i7n s ASN 826 N -1.81 7.25 -0.39 3.54 0.01 -1.26 -5.04 114.94 117.25 3i7n s ASN 826 Ca 0.37 1.49 -0.23 0.00 -0.71 0.00 0.00 52.86 53.78 3i7n s ASN 826 Cb 0.19 -2.44 0.01 0.00 0.41 0.00 0.00 41.25 39.42 3i7n s ASN 826 CO 0.30 0.22 0.80 -0.89 -1.51 0.00 0.00 177.10 176.02 3i7n s THR 827 N -1.16 4.69 0.43 1.60 2.01 -1.26 -4.09 115.64 117.86 3i7n s THR 827 Ca 0.34 0.81 0.02 0.00 0.31 0.00 0.00 61.69 63.17 3i7n s THR 827 Cb -0.21 -4.25 -0.00 0.00 0.01 0.00 0.00 72.50 68.04 3i7n s THR 827 CO 0.23 -0.52 0.63 -0.31 -0.69 0.00 0.00 174.62 173.96 3i7n s TYR 828 N 3.20 3.15 -0.44 4.92 1.51 0.90 -4.75 117.35 125.84 3i7n s TYR 828 Ca 0.32 0.08 -0.07 0.00 -1.01 0.00 0.00 57.07 56.38 3i7n s TYR 828 Cb -0.13 -2.28 0.11 0.00 -0.11 0.00 0.00 41.96 39.55 3i7n s TYR 828 CO 0.19 -0.32 0.28 -0.06 -1.11 0.00 0.00 175.55 174.52 3i7n s PHE 829 N -2.47 3.45 -0.08 2.71 0.08 0.41 -1.32 117.98 120.75 3i7n s PHE 829 Ca 0.48 -1.96 -0.14 0.00 0.12 0.00 0.00 56.93 55.44 3i7n s PHE 829 Cb -0.10 -3.27 -0.05 0.00 -0.57 0.00 0.00 43.02 39.04 3i7n s PHE 829 CO 0.36 -0.95 0.34 0.42 -0.10 0.00 0.00 175.22 175.29 3i7n s ILE 830 N 1.31 5.21 -0.13 0.64 1.01 -0.32 -2.29 121.20 126.63 3i7n s ILE 830 Ca 0.06 0.67 0.01 0.00 0.00 0.00 0.00 60.65 61.38 3i7n s ILE 830 Cb -0.24 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.59 3i7n s ILE 830 CO -0.01 0.49 -0.16 -0.69 0.00 0.00 0.00 174.94 174.57 3i7n s VAL 831 N -0.36 1.66 -0.07 2.92 1.01 -0.51 -1.15 120.40 123.90 3i7n s VAL 831 Ca 0.20 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 3i7n s VAL 831 Cb -0.15 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 3i7n s VAL 831 CO 0.08 0.47 0.39 -0.83 0.00 0.00 0.00 175.10 175.22 3i7n s GLY 832 N 1.13 2.39 0.00 4.51 0.00 -0.81 -1.64 107.32 112.90 3i7n s GLY 832 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.42 3i7n s GLY 832 CO -0.05 0.34 0.00 -1.30 0.00 0.00 0.00 173.10 172.09 3i7n n THR 833 N 2.65 0.00 -3.65 0.90 -2.24 0.68 -1.39 114.28 111.22 3i7n n THR 833 Ca -0.12 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.63 3i7n n THR 833 Cb 0.52 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.68 3i7n n THR 833 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7n s ALA 834 N -2.00 -2.24 -0.43 6.98 0.00 0.44 -2.58 121.76 121.93 3i7n s ALA 834 Ca 0.00 1.67 -0.19 0.00 0.00 0.00 0.00 51.96 53.44 3i7n s ALA 834 Cb 0.00 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.35 3i7n s ALA 834 CO 0.00 -0.09 0.56 -1.64 0.00 0.00 0.00 175.76 174.59 3i7n s MET 835 N 0.02 3.20 -0.24 0.00 -1.94 0.16 -1.09 119.30 119.41 3i7n s MET 835 Ca 0.08 -0.55 -0.09 0.00 -1.71 0.00 0.00 55.69 53.42 3i7n s MET 835 Cb -0.05 -3.96 -0.04 0.00 2.01 0.00 0.00 34.83 32.79 3i7n s MET 835 CO -0.16 -0.95 0.11 0.08 -0.01 0.00 0.00 175.02 174.09 3i7n s VAL 836 N 2.54 4.79 -0.11 -6.03 1.01 -0.89 -4.56 120.40 117.15 3i7n s VAL 836 Ca 0.18 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.16 3i7n s VAL 836 Cb -0.15 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.01 3i7n s VAL 836 CO 0.17 0.34 -0.14 -0.31 0.00 0.00 0.00 175.10 175.15 3i7n s TYR 837 N 1.37 1.90 0.38 5.22 1.51 -1.26 -4.88 117.35 121.59 3i7n s TYR 837 Ca 0.06 -0.89 0.15 0.00 -1.01 0.00 0.00 57.07 55.38 3i7n s TYR 837 Cb -0.15 -1.38 1.00 0.00 -0.11 0.00 0.00 41.96 41.32 3i7n s TYR 837 CO 0.05 -0.47 1.81 -1.35 -1.11 0.00 0.00 175.55 174.48 3i7n h PRO 838 N 7.45 0.48 -0.28 -1.71 0.11 -2.02 -0.49 132.00 135.55 3i7n h PRO 838 Ca -0.31 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 3i7n h PRO 838 Cb 1.17 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3i7n h PRO 838 CO 0.48 0.32 0.13 1.05 -0.21 0.00 0.00 178.00 179.77 3i7n h GLU 839 N 0.49 0.40 -7.04 1.05 9.09 -2.03 -3.45 114.58 113.11 3i7n h GLU 839 Ca 0.54 -0.06 -0.56 0.00 0.05 0.00 0.00 59.36 59.33 3i7n h GLU 839 Cb 1.21 -0.07 0.17 0.00 -1.65 0.00 0.00 28.75 28.41 3i7n h GLU 839 CO -0.26 0.40 0.29 0.39 0.05 0.00 0.00 179.01 179.88 3i7n n GLU 840 N -4.79 0.71 0.08 1.06 1.02 -0.20 -4.92 120.64 113.61 3i7n n GLU 840 Ca -0.02 0.30 -0.03 0.00 -0.02 0.00 0.00 57.16 57.39 3i7n n GLU 840 Cb 0.11 -2.36 -0.07 0.00 -0.02 0.00 0.00 31.44 29.10 3i7n n GLU 840 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i7n h ALA 841 N 0.00 0.53 -1.54 0.62 0.00 -1.87 -3.47 119.26 113.54 3i7n h ALA 841 Ca -0.49 -0.79 0.10 0.00 0.00 0.00 0.00 54.91 53.73 3i7n h ALA 841 Cb 1.33 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 18.82 3i7n h ALA 841 CO 0.49 1.02 0.42 -2.00 0.00 0.00 0.00 179.25 179.19 3i7n s GLU 842 N -2.81 0.41 0.34 0.00 2.12 -1.26 -5.15 118.70 112.35 3i7n s GLU 842 Ca 0.01 0.62 -0.28 0.00 0.36 0.00 0.00 54.97 55.69 3i7n s GLU 842 Cb 0.09 0.13 -0.09 0.00 0.26 0.00 0.00 34.13 34.51 3i7n s GLU 842 CO 0.79 -0.07 1.19 -1.25 -0.54 0.00 0.00 175.26 175.38 3i7n s PRO 843 N 0.93 4.33 -0.01 4.30 0.04 -1.26 -4.93 135.00 138.39 3i7n s PRO 843 Ca -0.04 1.93 0.16 0.00 0.04 0.00 0.00 61.00 63.09 3i7n s PRO 843 Cb -0.04 -2.95 -0.22 0.00 0.04 0.00 0.00 34.50 31.33 3i7n s PRO 843 CO -0.12 -0.11 0.52 0.36 0.04 0.00 0.00 177.00 177.68 3i7n n LYS 844 N 0.63 1.07 -5.05 4.56 0.00 -1.26 -4.12 118.16 113.99 3i7n n LYS 844 Ca 0.01 -0.08 -0.29 0.00 -0.00 0.00 0.00 58.31 57.96 3i7n n LYS 844 Cb 0.45 -1.33 -0.15 0.00 -0.00 0.00 0.00 35.03 33.99 3i7n n LYS 844 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 3i7n s GLN 845 N -2.85 1.80 0.17 -1.58 -0.21 -1.26 -1.56 119.66 114.18 3i7n s GLN 845 Ca -0.00 -0.87 -0.23 0.00 0.02 0.00 0.00 55.36 54.28 3i7n s GLN 845 Cb 0.11 -1.78 0.08 0.00 1.00 0.00 0.00 33.01 32.41 3i7n s GLN 845 CO 0.67 0.48 1.03 0.20 -2.12 0.00 0.00 175.29 175.56 3i7n s GLY 846 N -0.70 0.01 0.09 3.09 0.00 -0.82 0.38 107.32 109.38 3i7n s GLY 846 Ca 0.09 -0.18 -0.08 0.00 0.00 0.00 0.00 44.72 44.55 3i7n s GLY 846 CO -0.00 1.71 0.16 1.09 0.00 0.00 0.00 173.10 176.06 3i7n s ARG 847 N -2.46 0.83 -0.13 2.90 1.70 -1.25 0.04 118.95 120.58 3i7n s ARG 847 Ca 0.19 -1.00 -0.04 0.00 -0.47 0.00 0.00 55.73 54.40 3i7n s ARG 847 Cb -0.02 0.33 -0.03 0.00 -0.57 0.00 0.00 34.95 34.65 3i7n s ARG 847 CO 0.04 -0.25 0.02 0.42 -1.08 0.00 0.00 175.30 174.45 3i7n s ILE 848 N -3.87 4.47 -0.05 4.99 1.01 -0.87 -0.23 121.20 126.64 3i7n s ILE 848 Ca 0.06 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.57 3i7n s ILE 848 Cb 0.05 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.58 3i7n s ILE 848 CO -0.10 0.54 -0.13 -0.69 0.00 0.00 0.00 174.94 174.55 3i7n s VAL 849 N -0.23 1.16 -0.18 2.92 1.01 -0.65 -0.91 120.40 123.52 3i7n s VAL 849 Ca 0.06 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3i7n s VAL 849 Cb -0.12 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 3i7n s VAL 849 CO 0.02 0.35 -0.10 -0.69 0.00 0.00 0.00 175.10 174.67 3i7n s VAL 850 N 0.31 3.01 0.11 2.92 1.01 0.68 -1.43 120.40 127.01 3i7n s VAL 850 Ca -0.08 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 61.35 3i7n s VAL 850 Cb -0.12 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3i7n s VAL 850 CO 0.02 0.48 -0.22 -0.36 0.00 0.00 0.00 175.10 175.03 3i7n s PHE 851 N 1.01 1.87 -0.04 5.22 0.40 -0.97 -0.17 117.98 125.30 3i7n s PHE 851 Ca -0.01 -0.42 0.06 0.00 -0.60 0.00 0.00 56.93 55.97 3i7n s PHE 851 Cb -0.15 -1.01 -0.01 0.00 0.51 0.00 0.00 43.02 42.36 3i7n s PHE 851 CO -0.01 0.24 -0.24 -1.14 0.70 0.00 0.00 175.22 174.77 3i7n s GLN 852 N -2.01 2.21 -0.28 0.44 0.74 -0.27 -0.45 119.66 120.05 3i7n s GLN 852 Ca 0.08 -0.85 -0.08 0.00 0.05 0.00 0.00 55.36 54.56 3i7n s GLN 852 Cb -0.10 -1.97 -0.01 0.00 1.10 0.00 0.00 33.01 32.03 3i7n s GLN 852 CO 0.05 0.42 0.10 -0.47 -0.55 0.00 0.00 175.29 174.83 3i7n s TYR 853 N -0.29 3.13 0.00 1.67 5.04 -1.24 0.85 117.35 126.50 3i7n s TYR 853 Ca 0.01 -0.57 0.00 0.00 -2.44 0.00 0.00 57.07 54.08 3i7n s TYR 853 Cb -0.12 -2.28 0.00 0.00 0.35 0.00 0.00 41.96 39.91 3i7n s TYR 853 CO 0.02 -0.43 0.00 0.43 -1.34 0.00 0.00 175.55 174.23 3i7n n SER 854 N 4.93 0.00 -0.09 4.32 7.64 0.66 -4.85 113.62 126.24 3i7n n SER 854 Ca -0.15 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.59 3i7n n SER 854 Cb 0.50 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.66 3i7n n SER 854 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3i7n h ASP 855 N 0.00 0.86 0.00 6.43 5.19 -2.03 -3.41 116.42 123.46 3i7n h ASP 855 Ca 0.00 -0.51 -0.05 0.00 -0.62 0.00 0.00 57.03 55.86 3i7n h ASP 855 Cb 0.00 -0.24 -0.05 0.00 0.18 0.00 0.00 39.33 39.22 3i7n h ASP 855 CO 0.00 1.20 -0.10 0.61 -3.12 0.00 0.00 179.24 177.83 3i7n n GLY 856 N 0.28 0.33 3.63 2.75 0.00 -1.26 -5.16 105.19 105.76 3i7n n GLY 856 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 3i7n n GLY 856 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7n s LYS 857 N 0.00 2.26 -0.38 1.61 1.02 -1.26 -5.00 119.74 117.98 3i7n s LYS 857 Ca 0.00 -1.40 0.01 0.00 0.02 0.00 0.00 55.97 54.60 3i7n s LYS 857 Cb 0.00 -2.16 0.12 0.00 -0.52 0.00 0.00 37.83 35.27 3i7n s LYS 857 CO 0.00 0.37 0.19 -1.17 -0.92 0.00 0.00 175.35 173.82 3i7n s LEU 858 N -3.55 2.26 -0.15 3.17 1.98 -1.25 -0.24 118.68 120.89 3i7n s LEU 858 Ca 0.31 -2.23 -0.18 0.00 -2.89 0.00 0.00 54.13 49.14 3i7n s LEU 858 Cb -0.07 -0.87 -0.04 0.00 0.66 0.00 0.00 46.19 45.87 3i7n s LEU 858 CO 0.19 -0.32 0.47 -1.58 -1.89 0.00 0.00 176.35 173.22 3i7n s GLN 859 N 0.89 4.28 -0.79 1.98 0.74 0.25 -4.90 119.66 122.12 3i7n s GLN 859 Ca 0.15 0.40 -0.25 0.00 0.05 0.00 0.00 55.36 55.70 3i7n s GLN 859 Cb -0.22 -3.48 -0.07 0.00 1.10 0.00 0.00 33.01 30.35 3i7n s GLN 859 CO -0.08 0.07 2.08 0.99 -0.55 0.00 0.00 175.29 177.80 3i7n s THR 860 N 0.93 3.29 -0.59 -0.34 2.01 -1.26 -1.11 115.64 118.58 3i7n s THR 860 Ca 0.24 -0.15 0.25 0.00 0.31 0.00 0.00 61.69 62.35 3i7n s THR 860 Cb -0.15 -3.67 0.31 0.00 0.01 0.00 0.00 72.50 69.00 3i7n s THR 860 CO 0.09 -0.64 1.72 0.58 -0.69 0.00 0.00 174.62 175.69 3i7n h VAL 861 N 7.33 0.00 0.00 3.82 2.07 -0.91 -3.47 116.25 125.09 3i7n h VAL 861 Ca -0.02 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3i7n h VAL 861 Cb 1.06 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 3i7n h VAL 861 CO 1.16 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.75 3i7n n ALA 862 N -1.90 0.00 -2.42 1.67 0.00 -1.05 -4.95 120.51 111.86 3i7n n ALA 862 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.28 3i7n n ALA 862 Cb 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 3i7n n ALA 862 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3i7n s GLU 863 N -1.59 1.56 -0.29 0.00 -1.05 -1.26 -0.23 118.70 115.84 3i7n s GLU 863 Ca 0.00 -1.83 0.03 0.00 -0.15 0.00 0.00 54.97 53.02 3i7n s GLU 863 Cb 0.00 -0.85 0.17 0.00 -0.44 0.00 0.00 34.13 33.02 3i7n s GLU 863 CO 0.00 -0.13 0.48 0.21 0.95 0.00 0.00 175.26 176.77 3i7n s LYS 864 N -3.86 0.47 0.27 -4.83 2.47 -0.09 -4.86 119.74 109.32 3i7n s LYS 864 Ca 0.34 0.34 -0.29 0.00 -1.56 0.00 0.00 55.97 54.80 3i7n s LYS 864 Cb 0.07 -0.08 -0.14 0.00 -1.46 0.00 0.00 37.83 36.22 3i7n s LYS 864 CO 0.13 -1.00 1.11 -1.91 0.16 0.00 0.00 175.35 173.85 3i7n n GLU 865 N 5.38 1.48 -4.36 4.03 2.13 -1.26 -2.06 120.64 125.99 3i7n n GLU 865 Ca 0.02 0.52 -0.18 0.00 0.66 0.00 0.00 57.16 58.18 3i7n n GLU 865 Cb 0.51 -1.97 -0.10 0.00 0.27 0.00 0.00 31.44 30.15 3i7n n GLU 865 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3i7n s VAL 866 N -0.81 1.30 -0.60 6.31 -7.23 0.11 -4.85 120.40 114.62 3i7n s VAL 866 Ca 0.62 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.72 3i7n s VAL 866 Cb -0.70 -2.33 0.42 0.00 0.56 0.00 0.00 36.38 34.33 3i7n s VAL 866 CO 0.58 -0.36 1.71 0.29 -0.31 0.00 0.00 175.10 177.01 3i7n n LYS 867 N -0.46 3.02 -1.00 4.82 5.02 -1.26 -2.30 118.16 126.00 3i7n n LYS 867 Ca -0.06 -3.73 0.00 0.00 -2.02 0.00 0.00 58.31 52.51 3i7n n LYS 867 Cb 0.63 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 3i7n n LYS 867 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i7n n GLY 868 N -0.71 1.02 3.32 0.72 0.00 -0.60 -4.59 105.19 104.36 3i7n n GLY 868 Ca 0.53 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 3i7n n GLY 868 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7n s ALA 869 N -1.00 3.02 -0.51 4.61 0.00 -1.26 -1.94 121.76 124.69 3i7n s ALA 869 Ca 0.00 -1.49 -0.28 0.00 0.00 0.00 0.00 51.96 50.19 3i7n s ALA 869 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 21.01 3i7n s ALA 869 CO 0.00 -0.96 1.57 0.08 0.00 0.00 0.00 175.76 176.45 3i7n s VAL 870 N 1.47 3.66 -0.08 0.00 1.01 -1.07 -1.40 120.40 123.99 3i7n s VAL 870 Ca 0.02 0.58 -0.21 0.00 0.00 0.00 0.00 61.98 62.37 3i7n s VAL 870 Cb -0.17 -4.17 -0.29 0.00 0.00 0.00 0.00 36.38 31.75 3i7n s VAL 870 CO 0.02 -0.92 0.77 1.88 0.00 0.00 0.00 175.10 176.84 3i7n h TYR 871 N 12.09 0.44 -4.60 5.22 -1.99 -1.70 -3.37 116.97 123.05 3i7n h TYR 871 Ca -0.28 -0.32 -0.33 0.00 2.00 0.00 0.00 58.73 59.80 3i7n h TYR 871 Cb 1.12 -0.02 -0.13 0.00 2.00 0.00 0.00 36.73 39.70 3i7n h TYR 871 CO 1.01 1.34 -0.48 -1.54 -0.00 0.00 0.00 178.16 178.50 3i7n s SER 872 N -6.90 0.87 -0.30 3.88 1.04 -1.26 -4.54 113.70 106.49 3i7n s SER 872 Ca -0.16 -1.53 -0.08 0.00 0.48 0.00 0.00 55.95 54.66 3i7n s SER 872 Cb 0.01 0.50 0.17 0.00 0.10 0.00 0.00 66.02 66.81 3i7n s SER 872 CO 0.79 -1.01 0.81 0.00 0.98 0.00 0.00 173.24 174.81 3i7n s MET 873 N -3.71 0.41 0.43 4.02 0.23 -1.26 -3.57 119.30 115.85 3i7n s MET 873 Ca 0.38 0.81 0.06 0.00 -1.03 0.00 0.00 55.69 55.91 3i7n s MET 873 Cb 0.04 0.47 0.01 0.00 -1.53 0.00 0.00 34.83 33.81 3i7n s MET 873 CO 0.19 -0.35 0.60 0.54 -2.03 0.00 0.00 175.02 173.96 3i7n s VAL 874 N 2.82 3.16 -0.31 5.16 0.11 -0.98 -4.71 120.40 125.65 3i7n s VAL 874 Ca 0.07 -0.92 -0.19 0.00 -2.93 0.00 0.00 61.98 58.02 3i7n s VAL 874 Cb -0.12 -3.09 -0.01 0.00 -1.53 0.00 0.00 36.38 31.63 3i7n s VAL 874 CO -0.17 -0.04 0.55 -0.70 -3.33 0.00 0.00 175.10 171.41 3i7n s GLU 875 N -4.41 3.85 0.00 1.54 -6.30 -1.26 -2.40 118.70 109.72 3i7n s GLU 875 Ca 0.53 0.13 0.00 0.00 -2.50 0.00 0.00 54.97 53.14 3i7n s GLU 875 Cb -0.10 -3.74 0.00 0.00 0.00 0.00 0.00 34.13 30.29 3i7n s GLU 875 CO 0.34 -0.53 0.00 0.34 0.02 0.00 0.00 175.26 175.42 3i7n n PHE 876 N 5.74 0.00 -3.15 5.30 7.35 0.47 -4.83 117.46 128.34 3i7n n PHE 876 Ca -0.03 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.43 3i7n n PHE 876 Cb 0.49 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.28 3i7n n PHE 876 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3i7n n ASN 877 N 0.00 2.01 0.00 -2.13 3.02 -1.26 -4.75 115.26 112.15 3i7n n ASN 877 Ca 0.00 -3.18 0.00 0.00 -0.03 0.00 0.00 54.58 51.37 3i7n n ASN 877 Cb 0.00 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 3i7n n ASN 877 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i7n n GLY 878 N 0.39 0.88 3.61 7.41 0.00 -1.26 -4.94 105.19 111.28 3i7n n GLY 878 Ca 0.26 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.05 3i7n n GLY 878 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7n s LYS 879 N -0.31 2.17 -0.42 1.61 1.02 -1.26 -1.06 119.74 121.48 3i7n s LYS 879 Ca 0.00 -1.45 -0.15 0.00 0.02 0.00 0.00 55.97 54.39 3i7n s LYS 879 Cb 0.00 -2.10 0.03 0.00 -0.52 0.00 0.00 37.83 35.24 3i7n s LYS 879 CO 0.00 0.37 0.33 -1.17 -0.92 0.00 0.00 175.35 173.96 3i7n s LEU 880 N -3.53 5.19 -0.20 3.17 2.96 -0.70 -0.39 118.68 125.17 3i7n s LEU 880 Ca 0.30 -0.97 -0.19 0.00 -0.22 0.00 0.00 54.13 53.05 3i7n s LEU 880 Cb -0.07 -2.18 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 3i7n s LEU 880 CO 0.18 -0.50 0.56 -0.76 -1.32 0.00 0.00 176.35 174.52 3i7n s LEU 881 N 1.71 4.14 0.00 -0.68 1.43 -1.01 0.15 118.68 124.41 3i7n s LEU 881 Ca 0.05 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 3i7n s LEU 881 Cb -0.20 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.24 3i7n s LEU 881 CO 0.10 -0.23 0.00 0.00 0.23 0.00 0.00 176.35 176.45 3i7n n ALA 882 N 4.95 0.00 0.00 4.21 0.00 -0.70 -2.32 120.51 126.65 3i7n n ALA 882 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3i7n n ALA 882 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3i7n n ALA 882 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i7n n SER 883 N 0.00 0.00 -3.91 0.00 3.41 -1.23 -4.47 113.62 107.41 3i7n n SER 883 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 3i7n n SER 883 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 3i7n n SER 883 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3i7n s ILE 884 N 0.00 1.46 0.00 -1.33 1.09 0.25 -2.18 121.20 120.49 3i7n s ILE 884 Ca 0.00 -1.28 0.00 0.00 -1.10 0.00 0.00 60.65 58.27 3i7n s ILE 884 Cb 0.00 -1.80 0.00 0.00 -1.06 0.00 0.00 42.46 39.60 3i7n s ILE 884 CO 0.00 -0.19 0.00 0.59 -0.10 0.00 0.00 174.94 175.24 3i7n n ASN 885 N 4.68 0.00 0.00 3.58 4.13 -0.50 -1.34 115.26 125.82 3i7n n ASN 885 Ca -0.10 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.16 3i7n n ASN 885 Cb 0.44 -0.35 0.00 0.00 -1.54 0.00 0.00 39.78 38.33 3i7n n ASN 885 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 3i7n n SER 886 N 0.00 0.00 -4.44 6.41 2.88 -1.26 -4.43 113.62 112.78 3i7n n SER 886 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 3i7n n SER 886 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 3i7n n SER 886 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3i7n s THR 887 N 0.00 2.62 -0.10 2.46 2.01 -0.45 -4.10 115.64 118.09 3i7n s THR 887 Ca 0.00 -1.44 0.04 0.00 0.31 0.00 0.00 61.69 60.59 3i7n s THR 887 Cb 0.00 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.37 3i7n s THR 887 CO 0.00 0.20 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.23 3i7n s VAL 888 N -1.02 1.89 0.29 3.82 1.01 -0.91 0.86 120.40 126.35 3i7n s VAL 888 Ca 0.15 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.27 3i7n s VAL 888 Cb -0.10 -1.65 -0.06 0.00 0.00 0.00 0.00 36.38 34.57 3i7n s VAL 888 CO 0.07 0.52 -0.00 -0.13 0.00 0.00 0.00 175.10 175.56 3i7n s ARG 889 N 0.45 1.57 -0.18 2.72 0.52 -1.26 -1.55 118.95 121.21 3i7n s ARG 889 Ca -0.17 -1.83 -0.01 0.00 -0.52 0.00 0.00 55.73 53.20 3i7n s ARG 889 Cb -0.17 -0.97 0.05 0.00 0.52 0.00 0.00 34.95 34.37 3i7n s ARG 889 CO 0.07 -0.07 -0.02 -1.17 0.02 0.00 0.00 175.30 174.13 3i7n s LEU 890 N -3.45 1.61 -0.07 2.53 2.96 -0.50 -1.72 118.68 120.05 3i7n s LEU 890 Ca 0.32 -0.79 -0.11 0.00 -0.22 0.00 0.00 54.13 53.34 3i7n s LEU 890 Cb 0.06 -0.84 -0.05 0.00 0.50 0.00 0.00 46.19 45.87 3i7n s LEU 890 CO 0.13 -0.24 0.26 -0.31 -1.32 0.00 0.00 176.35 174.88 3i7n s TYR 891 N 1.68 3.65 -0.07 5.38 1.51 0.12 -1.31 117.35 128.30 3i7n s TYR 891 Ca -0.01 0.74 -0.03 0.00 -1.01 0.00 0.00 57.07 56.76 3i7n s TYR 891 Cb -0.16 -2.11 -0.04 0.00 -0.11 0.00 0.00 41.96 39.54 3i7n s TYR 891 CO -0.07 0.67 0.06 -1.21 -1.11 0.00 0.00 175.55 173.89 3i7n s GLU 892 N -0.98 3.13 -0.61 -0.62 2.02 0.75 -1.73 118.70 120.66 3i7n s GLU 892 Ca 0.19 -0.36 -0.21 0.00 0.02 0.00 0.00 54.97 54.61 3i7n s GLU 892 Cb -0.14 -2.92 0.08 0.00 0.10 0.00 0.00 34.13 31.25 3i7n s GLU 892 CO 0.08 0.71 0.83 -0.46 0.02 0.00 0.00 175.26 176.44 3i7n s TRP 893 N -1.01 2.84 0.48 1.61 -0.00 -1.26 -0.24 118.94 121.37 3i7n s TRP 893 Ca 0.17 -0.67 -0.21 0.00 -0.00 0.00 0.00 56.10 55.38 3i7n s TRP 893 Cb -0.12 -4.10 -0.10 0.00 -0.00 0.00 0.00 33.47 29.16 3i7n s TRP 893 CO 0.06 -1.43 0.79 0.25 -0.00 0.00 0.00 176.95 176.62 3i7n n THR 894 N 5.77 2.47 0.22 5.86 -2.24 0.83 -4.77 114.28 122.42 3i7n n THR 894 Ca -0.06 -0.50 0.06 0.00 -2.27 0.00 0.00 64.05 61.28 3i7n n THR 894 Cb 0.44 -0.91 0.53 0.00 -2.10 0.00 0.00 70.33 68.29 3i7n n THR 894 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3i7n h THR 895 N 0.90 1.10 0.00 4.28 1.35 -1.96 0.12 112.91 118.69 3i7n h THR 895 Ca -0.44 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 3i7n h THR 895 Cb 1.37 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 3i7n h THR 895 CO 0.52 0.13 0.00 -0.62 -0.25 0.00 0.00 175.52 175.30 3i7n n GLU 896 N -4.39 0.13 -3.34 4.72 1.02 -1.26 -4.86 120.64 112.67 3i7n n GLU 896 Ca -0.02 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.95 3i7n n GLU 896 Cb 0.20 -1.21 0.07 0.00 -0.02 0.00 0.00 31.44 30.48 3i7n n GLU 896 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i7n n LYS 897 N -0.71 -3.79 -3.91 3.49 5.02 0.42 -5.07 118.16 113.61 3i7n n LYS 897 Ca 0.01 0.84 -0.10 0.00 -2.02 0.00 0.00 58.31 57.04 3i7n n LYS 897 Cb 0.01 -5.78 -0.11 0.00 -0.02 0.00 0.00 35.03 29.13 3i7n n LYS 897 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i7n s ASP 898 N -3.75 0.10 -0.51 4.39 3.68 -1.21 -4.91 116.67 114.45 3i7n s ASP 898 Ca 0.29 -0.28 -0.23 0.00 2.13 0.00 0.00 52.55 54.46 3i7n s ASP 898 Cb -0.04 0.16 0.04 0.00 -1.45 0.00 0.00 42.92 41.63 3i7n s ASP 898 CO 0.74 -0.31 0.83 0.68 0.13 0.00 0.00 175.17 177.24 3i7n s VAL 899 N -1.27 4.57 -0.06 1.11 -7.23 -1.26 -0.12 120.40 116.14 3i7n s VAL 899 Ca -0.14 0.15 0.04 0.00 -1.81 0.00 0.00 61.98 60.22 3i7n s VAL 899 Cb -0.08 -4.42 -0.02 0.00 0.56 0.00 0.00 36.38 32.42 3i7n s VAL 899 CO 0.00 -0.94 -0.17 0.00 -0.31 0.00 0.00 175.10 173.69 3i7n s ARG 900 N 3.47 2.66 0.49 4.82 1.04 0.67 -4.90 118.95 127.19 3i7n s ARG 900 Ca 0.27 -0.74 -0.22 0.00 -1.04 0.00 0.00 55.73 53.99 3i7n s ARG 900 Cb -0.14 -2.37 -0.08 0.00 -2.04 0.00 0.00 34.95 30.32 3i7n s ARG 900 CO 0.18 0.50 1.06 2.41 -0.04 0.00 0.00 175.30 179.42 3i7n n THR 901 N 2.66 2.97 -0.01 4.99 -1.04 -1.26 -0.18 114.28 122.41 3i7n n THR 901 Ca -0.17 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.05 61.32 3i7n n THR 901 Cb 0.52 -1.26 -0.01 0.00 -1.82 0.00 0.00 70.33 67.76 3i7n n THR 901 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3i7n n GLU 902 N -0.34 0.06 -3.63 -2.82 4.07 -0.43 -4.73 120.64 112.82 3i7n n GLU 902 Ca 0.10 0.02 -0.07 0.00 -0.06 0.00 0.00 57.16 57.15 3i7n n GLU 902 Cb 0.42 -0.92 -0.02 0.00 -0.06 0.00 0.00 31.44 30.87 3i7n n GLU 902 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i7n s ASN 904 N -2.74 -0.28 0.03 0.00 2.20 -1.26 -1.41 114.94 111.48 3i7n s ASN 904 Ca 0.08 0.45 -0.17 0.00 -0.94 0.00 0.00 52.86 52.28 3i7n s ASN 904 Cb -0.02 0.54 -0.06 0.00 -2.00 0.00 0.00 41.25 39.72 3i7n s ASN 904 CO -0.03 -0.22 0.50 -2.28 -2.94 0.00 0.00 177.10 172.13 3i7n s HIS 905 N -0.33 3.75 -0.24 1.54 5.65 -0.59 -4.90 115.29 120.17 3i7n s HIS 905 Ca -0.05 1.14 0.05 0.00 0.25 0.00 0.00 55.06 56.45 3i7n s HIS 905 Cb -0.03 -2.42 -0.05 0.00 -1.18 0.00 0.00 32.58 28.89 3i7n s HIS 905 CO 0.02 0.58 0.22 0.66 -0.65 0.00 0.00 174.74 175.56 3i7n n TYR 906 N 1.92 0.00 -2.14 3.88 4.02 -1.26 -2.15 117.16 121.43 3i7n n TYR 906 Ca -0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.36 3i7n n TYR 906 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 3i7n n TYR 906 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3i7n n ASN 907 N -1.06 5.58 -3.95 7.72 4.05 -1.26 -4.84 115.26 121.49 3i7n n ASN 907 Ca 0.01 -3.05 -0.13 0.00 0.45 0.00 0.00 54.58 51.86 3i7n n ASN 907 Cb 0.08 -1.49 -0.13 0.00 1.23 0.00 0.00 39.78 39.47 3i7n n ASN 907 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 3i7n s ASN 908 N 1.15 0.39 0.05 1.20 0.01 -1.26 -5.02 114.94 111.46 3i7n s ASN 908 Ca 0.44 -0.23 -0.16 0.00 -0.71 0.00 0.00 52.86 52.20 3i7n s ASN 908 Cb 0.12 0.00 -0.24 0.00 0.41 0.00 0.00 41.25 41.55 3i7n s ASN 908 CO -0.03 -0.07 1.15 -0.29 -1.51 0.00 0.00 177.10 176.35 3i7n h ILE 909 N 4.89 1.34 -0.39 0.60 6.09 -1.89 -3.46 117.51 124.70 3i7n h ILE 909 Ca -0.29 -2.19 0.18 0.00 -1.37 0.00 0.00 64.86 61.20 3i7n h ILE 909 Cb 1.20 2.48 -0.19 0.00 0.47 0.00 0.00 36.82 40.78 3i7n h ILE 909 CO 0.47 0.66 -0.07 -0.32 -3.07 0.00 0.00 178.15 175.82 3i7n s MET 910 N -3.26 0.22 -0.56 2.19 1.75 -1.26 -4.82 119.30 113.56 3i7n s MET 910 Ca -0.11 0.22 -0.27 0.00 -1.25 0.00 0.00 55.69 54.28 3i7n s MET 910 Cb 0.05 0.10 -0.02 0.00 2.84 0.00 0.00 34.83 37.81 3i7n s MET 910 CO 0.88 -0.40 1.80 0.00 -0.65 0.00 0.00 175.02 176.66 3i7n s ALA 911 N 2.93 2.35 -0.11 4.11 0.00 -1.26 -1.19 121.76 128.59 3i7n s ALA 911 Ca 0.24 -0.51 0.20 0.00 0.00 0.00 0.00 51.96 51.89 3i7n s ALA 911 Cb -0.03 -4.24 -0.26 0.00 0.00 0.00 0.00 23.12 18.59 3i7n s ALA 911 CO -0.23 -3.59 0.43 1.28 0.00 0.00 0.00 175.76 173.64 3i7n n LEU 912 N 12.03 0.17 -3.93 0.00 4.77 -1.26 -4.61 117.00 124.17 3i7n n LEU 912 Ca 0.20 0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 56.15 3i7n n LEU 912 Cb 0.51 0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 41.65 3i7n n LEU 912 CO 0.71 0.17 -0.34 -0.31 -1.33 0.00 0.00 177.39 176.29 3i7n s TYR 913 N -3.09 0.13 0.05 -1.77 1.51 -1.26 -4.13 117.35 108.80 3i7n s TYR 913 Ca -0.08 -0.27 -0.03 0.00 -1.01 0.00 0.00 57.07 55.69 3i7n s TYR 913 Cb 0.10 -0.10 -0.03 0.00 -0.11 0.00 0.00 41.96 41.83 3i7n s TYR 913 CO 0.86 -0.12 0.03 -0.51 -1.11 0.00 0.00 175.55 174.70 3i7n s LEU 914 N -0.86 2.17 0.23 -1.29 1.43 -1.26 -4.17 118.68 114.93 3i7n s LEU 914 Ca -0.09 -0.80 -0.09 0.00 -1.03 0.00 0.00 54.13 52.11 3i7n s LEU 914 Cb -0.06 0.39 -0.01 0.00 0.03 0.00 0.00 46.19 46.54 3i7n s LEU 914 CO -0.00 -0.57 0.37 -0.54 0.23 0.00 0.00 176.35 175.83 3i7n s LYS 915 N -3.39 1.42 -0.06 1.70 -0.14 -1.25 -4.81 119.74 113.21 3i7n s LYS 915 Ca 0.02 -1.35 -0.02 0.00 -1.36 0.00 0.00 55.97 53.26 3i7n s LYS 915 Cb 0.04 0.41 0.04 0.00 -1.68 0.00 0.00 37.83 36.63 3i7n s LYS 915 CO -0.08 -0.55 0.12 0.99 -0.76 0.00 0.00 175.35 175.06 3i7n s THR 916 N -4.05 -0.12 -0.34 2.17 2.01 -1.26 -3.29 115.64 110.76 3i7n s THR 916 Ca 0.27 0.27 -0.15 0.00 0.31 0.00 0.00 61.69 62.38 3i7n s THR 916 Cb 0.02 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.30 3i7n s THR 916 CO 0.09 0.11 0.36 -0.75 -0.69 0.00 0.00 174.62 173.74 3i7n s LYS 917 N 1.59 3.55 0.00 4.92 2.36 -0.01 -4.92 119.74 127.23 3i7n s LYS 917 Ca -0.04 -0.43 0.00 0.00 -2.55 0.00 0.00 55.97 52.95 3i7n s LYS 917 Cb -0.12 -3.81 0.00 0.00 -1.05 0.00 0.00 37.83 32.85 3i7n s LYS 917 CO -0.05 -0.53 0.00 0.41 1.55 0.00 0.00 175.35 176.73 3i7n n GLY 918 N 4.96 0.00 0.00 5.54 0.00 -1.26 -3.54 105.19 110.89 3i7n n GLY 918 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3i7n n GLY 918 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i7n n ASP 919 N 0.00 -1.21 -1.37 1.61 2.03 -1.26 -4.80 116.55 111.55 3i7n n ASP 919 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 3i7n n ASP 919 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 3i7n n ASP 919 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3i7n n PHE 920 N -2.30 0.83 -3.80 -0.67 3.72 -1.25 -4.85 117.46 109.14 3i7n n PHE 920 Ca 0.00 -0.93 -0.36 0.00 -0.05 0.00 0.00 57.45 56.11 3i7n n PHE 920 Cb 0.00 -0.47 -0.07 0.00 -0.94 0.00 0.00 39.48 38.00 3i7n n PHE 920 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i7n s ILE 921 N -0.93 5.45 0.31 4.37 1.01 -1.23 0.65 121.20 130.84 3i7n s ILE 921 Ca 0.15 0.22 0.03 0.00 0.00 0.00 0.00 60.65 61.05 3i7n s ILE 921 Cb 0.13 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 3i7n s ILE 921 CO 0.03 0.53 0.10 -0.76 0.00 0.00 0.00 174.94 174.84 3i7n s LEU 922 N -0.38 1.89 -0.24 2.97 1.02 0.06 -0.83 118.68 123.17 3i7n s LEU 922 Ca 0.12 -1.45 -0.20 0.00 0.02 0.00 0.00 54.13 52.62 3i7n s LEU 922 Cb -0.12 -0.12 0.07 0.00 0.02 0.00 0.00 46.19 46.04 3i7n s LEU 922 CO 0.01 -0.74 0.64 0.54 0.02 0.00 0.00 176.35 176.82 3i7n s VAL 923 N -3.49 -0.00 0.00 -1.59 0.11 -1.21 -1.03 120.40 113.19 3i7n s VAL 923 Ca 0.35 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 3i7n s VAL 923 Cb 0.07 -0.89 0.00 0.00 -1.53 0.00 0.00 36.38 34.03 3i7n s VAL 923 CO 0.15 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.53 3i7n n GLY 924 N 3.09 3.42 0.00 6.54 0.00 -1.05 -3.82 105.19 113.37 3i7n n GLY 924 Ca -0.15 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3i7n n GLY 924 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i7n n ASP 925 N 0.00 0.00 -0.01 1.61 2.03 -1.16 -4.11 116.55 114.90 3i7n n ASP 925 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 3i7n n ASP 925 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3i7n n ASP 925 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3i7n h LEU 926 N 0.00 -0.05 -1.32 -2.67 5.85 -1.40 -3.35 115.31 112.37 3i7n h LEU 926 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3i7n h LEU 926 Cb 0.00 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3i7n h LEU 926 CO 0.00 0.33 -0.24 1.15 -0.34 0.00 0.00 178.44 179.33 3i7n n MET 927 N -4.20 1.63 -2.60 1.25 0.00 -1.26 -1.74 117.12 110.20 3i7n n MET 927 Ca -0.01 -1.28 -0.21 0.00 0.00 0.00 0.00 57.70 56.20 3i7n n MET 927 Cb 0.02 -1.40 0.01 0.00 0.00 0.00 0.00 33.22 31.85 3i7n n MET 927 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3i7n n ARG 928 N 0.47 2.54 0.00 3.17 1.74 -1.16 -3.66 116.66 119.76 3i7n n ARG 928 Ca 0.10 -4.06 0.00 0.00 -0.77 0.00 0.00 57.85 53.12 3i7n n ARG 928 Cb 0.47 -1.89 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 3i7n n ARG 928 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3i7n n SER 929 N -0.29 0.00 -4.11 0.55 3.41 -0.15 -4.78 113.62 108.25 3i7n n SER 929 Ca 0.28 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.69 3i7n n SER 929 Cb 0.69 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.51 3i7n n SER 929 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3i7n s VAL 930 N 0.00 1.01 0.23 -3.33 -7.23 -1.26 -2.99 120.40 106.83 3i7n s VAL 930 Ca 0.00 -0.84 0.08 0.00 -1.81 0.00 0.00 61.98 59.41 3i7n s VAL 930 Cb 0.00 -0.91 -0.04 0.00 0.56 0.00 0.00 36.38 35.99 3i7n s VAL 930 CO 0.00 0.06 0.04 -0.76 -0.31 0.00 0.00 175.10 174.13 3i7n s LEU 931 N -0.88 3.37 -0.10 1.32 1.02 -1.26 -1.54 118.68 120.60 3i7n s LEU 931 Ca 0.02 -0.47 0.04 0.00 0.02 0.00 0.00 54.13 53.74 3i7n s LEU 931 Cb -0.07 -1.94 0.00 0.00 0.02 0.00 0.00 46.19 44.20 3i7n s LEU 931 CO 0.01 0.03 -0.24 -0.22 0.02 0.00 0.00 176.35 175.95 3i7n s LEU 932 N -3.44 2.08 0.15 1.79 2.96 0.30 -2.53 118.68 119.99 3i7n s LEU 932 Ca 0.30 -0.56 0.08 0.00 -0.22 0.00 0.00 54.13 53.74 3i7n s LEU 932 Cb -0.08 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 3i7n s LEU 932 CO 0.20 0.15 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.45 3i7n s LEU 933 N 0.37 2.42 0.25 -0.68 1.02 -0.20 -1.09 118.68 120.77 3i7n s LEU 933 Ca -0.18 -0.84 0.10 0.00 0.02 0.00 0.00 54.13 53.23 3i7n s LEU 933 Cb -0.18 -0.80 -0.05 0.00 0.02 0.00 0.00 46.19 45.19 3i7n s LEU 933 CO 0.08 -0.04 -0.18 0.00 0.02 0.00 0.00 176.35 176.23 3i7n s ALA 934 N -1.99 2.46 -0.17 4.21 0.00 -0.54 -0.76 121.76 124.97 3i7n s ALA 934 Ca 0.14 -1.79 -0.08 0.00 0.00 0.00 0.00 51.96 50.24 3i7n s ALA 934 Cb -0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 3i7n s ALA 934 CO 0.06 0.20 0.09 -0.47 0.00 0.00 0.00 175.76 175.65 3i7n s TYR 935 N -2.65 3.36 -0.42 0.00 5.04 0.21 -2.10 117.35 120.79 3i7n s TYR 935 Ca 0.27 0.25 -0.06 0.00 -2.44 0.00 0.00 57.07 55.09 3i7n s TYR 935 Cb -0.04 -2.06 0.10 0.00 0.35 0.00 0.00 41.96 40.32 3i7n s TYR 935 CO 0.12 0.33 0.23 0.15 -1.34 0.00 0.00 175.55 175.04 3i7n s LYS 936 N 0.00 2.29 -0.12 4.97 -0.14 0.64 -4.80 119.74 122.58 3i7n s LYS 936 Ca 0.08 -1.68 -0.01 0.00 -1.36 0.00 0.00 55.97 53.00 3i7n s LYS 936 Cb -0.12 -3.68 -0.01 0.00 -1.68 0.00 0.00 37.83 32.34 3i7n s LYS 936 CO 0.00 -1.04 1.11 -2.30 -0.76 0.00 0.00 175.35 172.37 3i7n n PRO 937 N 4.75 0.30 0.00 -1.68 -0.02 -1.26 -1.66 135.00 135.43 3i7n n PRO 937 Ca -0.06 -0.56 0.00 0.00 -2.02 0.00 0.00 63.50 60.86 3i7n n PRO 937 Cb 0.42 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3i7n n PRO 937 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3i7n n MET 938 N 4.57 0.00 -0.30 -0.52 0.00 -1.26 -4.73 117.12 114.88 3i7n n MET 938 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 57.70 57.82 3i7n n MET 938 Cb 0.03 0.00 0.19 0.00 0.00 0.00 0.00 33.22 33.44 3i7n n MET 938 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 3i7n n GLU 939 N 0.00 2.35 -2.65 2.12 0.28 -1.25 -4.90 120.64 116.59 3i7n n GLU 939 Ca 0.00 -1.54 -0.00 0.00 -0.16 0.00 0.00 57.16 55.46 3i7n n GLU 939 Cb 0.00 -1.53 0.00 0.00 1.43 0.00 0.00 31.44 31.34 3i7n n GLU 939 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i7n n GLY 940 N 0.85 -0.99 3.30 -1.84 0.00 -0.66 -5.06 105.19 100.79 3i7n n GLY 940 Ca 0.14 0.29 -0.16 0.00 0.00 0.00 0.00 46.02 46.29 3i7n n GLY 940 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i7n s ASN 941 N -2.74 1.58 -0.10 1.61 3.04 -0.85 -4.61 114.94 112.88 3i7n s ASN 941 Ca 0.00 -1.22 -0.20 0.00 0.04 0.00 0.00 52.86 51.49 3i7n s ASN 941 Cb -0.00 0.06 -0.04 0.00 -1.54 0.00 0.00 41.25 39.73 3i7n s ASN 941 CO 0.55 -0.55 0.54 -0.36 -3.04 0.00 0.00 177.10 174.24 3i7n s PHE 942 N -3.52 3.53 -0.31 0.43 2.99 -1.26 -0.26 117.98 119.58 3i7n s PHE 942 Ca 0.28 0.99 -0.07 0.00 0.00 0.00 0.00 56.93 58.12 3i7n s PHE 942 Cb 0.06 -2.62 0.01 0.00 0.00 0.00 0.00 43.02 40.48 3i7n s PHE 942 CO 0.08 0.15 0.10 -2.00 -0.00 0.00 0.00 175.22 173.55 3i7n s GLU 943 N 0.66 3.01 -0.48 0.44 2.12 -0.89 -4.99 118.70 118.56 3i7n s GLU 943 Ca 0.29 -0.92 -0.27 0.00 0.36 0.00 0.00 54.97 54.43 3i7n s GLU 943 Cb -0.16 -3.43 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 3i7n s GLU 943 CO 0.12 -0.50 1.79 -2.00 -0.54 0.00 0.00 175.26 174.13 3i7n s GLU 944 N 1.50 3.00 -0.04 4.30 2.12 -1.26 -1.47 118.70 126.84 3i7n s GLU 944 Ca 0.02 0.97 -0.25 0.00 0.36 0.00 0.00 54.97 56.07 3i7n s GLU 944 Cb -0.18 -4.28 -0.19 0.00 0.26 0.00 0.00 34.13 29.75 3i7n s GLU 944 CO 0.03 -2.27 1.09 0.82 -0.54 0.00 0.00 175.26 174.39 3i7n h ILE 945 N 6.81 1.19 -2.70 -3.70 2.04 -1.44 -3.49 117.51 116.22 3i7n h ILE 945 Ca -0.29 -1.21 0.06 0.00 1.00 0.00 0.00 64.86 64.42 3i7n h ILE 945 Cb 1.16 1.94 -0.11 0.00 -0.74 0.00 0.00 36.82 39.07 3i7n h ILE 945 CO 1.13 0.29 0.33 0.00 0.00 0.00 0.00 178.15 179.90 3i7n s ALA 946 N -3.92 -1.62 0.15 1.87 0.00 -1.15 -4.47 121.76 112.62 3i7n s ALA 946 Ca -0.15 0.48 -0.02 0.00 0.00 0.00 0.00 51.96 52.27 3i7n s ALA 946 Cb 0.01 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 3i7n s ALA 946 CO 0.60 -0.82 0.10 -0.98 0.00 0.00 0.00 175.76 174.66 3i7n s ARG 947 N -3.53 1.03 -0.21 0.00 1.70 -0.99 -0.54 118.95 116.42 3i7n s ARG 947 Ca 0.05 -1.47 -0.10 0.00 -0.47 0.00 0.00 55.73 53.74 3i7n s ARG 947 Cb -0.02 0.27 -0.05 0.00 -0.57 0.00 0.00 34.95 34.58 3i7n s ARG 947 CO -0.07 -0.32 0.15 0.34 -1.08 0.00 0.00 175.30 174.32 3i7n s ASP 948 N -3.07 6.19 -0.98 -2.89 -1.08 -0.59 -1.56 116.67 112.68 3i7n s ASP 948 Ca 0.28 0.20 -0.00 0.00 -0.52 0.00 0.00 52.55 52.51 3i7n s ASP 948 Cb 0.07 -2.10 0.32 0.00 -1.46 0.00 0.00 42.92 39.75 3i7n s ASP 948 CO 0.05 0.14 1.70 0.49 0.52 0.00 0.00 175.17 178.06 3i7n n PHE 949 N 3.79 2.89 -4.08 -5.34 3.01 -1.26 -4.34 117.46 112.13 3i7n n PHE 949 Ca -0.15 -2.74 -0.10 0.00 1.01 0.00 0.00 57.45 55.47 3i7n n PHE 949 Cb 0.52 -1.12 -0.11 0.00 -0.01 0.00 0.00 39.48 38.77 3i7n n PHE 949 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3i7n s ASN 950 N -1.62 0.72 -0.13 4.37 -0.87 -1.26 -5.06 114.94 111.08 3i7n s ASN 950 Ca 0.40 -0.74 -0.02 0.00 -1.57 0.00 0.00 52.86 50.93 3i7n s ASN 950 Cb 0.19 0.10 0.02 0.00 -0.02 0.00 0.00 41.25 41.54 3i7n s ASN 950 CO -0.11 -0.37 2.34 -0.81 -2.57 0.00 0.00 177.10 175.58 3i7n n PRO 951 N 0.84 1.51 -2.11 -0.60 -0.05 -1.26 -3.35 135.00 129.98 3i7n n PRO 951 Ca -0.19 -0.81 -0.43 0.00 -0.05 0.00 0.00 63.50 62.03 3i7n n PRO 951 Cb 0.58 -1.44 -0.02 0.00 -0.05 0.00 0.00 33.50 32.56 3i7n n PRO 951 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 175.50 174.65 3i7n s ASN 952 N 1.34 6.07 -1.06 3.54 0.01 -1.24 -4.84 114.94 118.76 3i7n s ASN 952 Ca 0.25 1.21 -0.22 0.00 -0.71 0.00 0.00 52.86 53.39 3i7n s ASN 952 Cb 0.15 -2.53 0.03 0.00 0.41 0.00 0.00 41.25 39.31 3i7n s ASN 952 CO -0.02 -1.58 1.61 0.26 -1.51 0.00 0.00 177.10 175.86 3i7n s TRP 953 N 6.30 2.42 0.76 2.20 0.52 -1.25 -0.98 118.94 128.91 3i7n s TRP 953 Ca 0.74 -0.66 -0.16 0.00 0.02 0.00 0.00 56.10 56.04 3i7n s TRP 953 Cb -0.20 -4.56 -0.03 0.00 -1.15 0.00 0.00 33.47 27.53 3i7n s TRP 953 CO 0.33 -1.84 0.53 -1.33 0.02 0.00 0.00 176.95 174.65 3i7n n MET 954 N 8.76 0.22 0.00 4.98 2.81 -0.71 -0.34 117.12 132.84 3i7n n MET 954 Ca 0.38 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 56.39 3i7n n MET 954 Cb 0.49 -1.85 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 3i7n n MET 954 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3i7n n SER 955 N -0.49 2.93 -3.62 7.83 3.41 -0.40 -4.52 113.62 118.77 3i7n n SER 955 Ca 0.10 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.55 3i7n n SER 955 Cb 0.50 0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 64.80 3i7n n SER 955 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7n s ALA 956 N -1.41 -1.41 -0.00 7.33 0.00 -1.13 -4.77 121.76 120.36 3i7n s ALA 956 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3i7n s ALA 956 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.95 3i7n s ALA 956 CO 0.00 -0.32 -0.01 0.08 0.00 0.00 0.00 175.76 175.51 3i7n s VAL 957 N -0.92 0.12 0.06 0.00 1.01 -1.26 -1.69 120.40 117.71 3i7n s VAL 957 Ca -0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 3i7n s VAL 957 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.22 3i7n s VAL 957 CO 0.06 0.05 0.11 -0.70 0.00 0.00 0.00 175.10 174.63 3i7n s GLU 958 N 0.12 0.69 -0.28 2.72 2.56 0.04 -4.74 118.70 119.81 3i7n s GLU 958 Ca -0.01 -0.91 -0.09 0.00 0.00 0.00 0.00 54.97 53.96 3i7n s GLU 958 Cb -0.02 0.27 -0.02 0.00 2.00 0.00 0.00 34.13 36.36 3i7n s GLU 958 CO -0.00 -0.19 0.12 0.42 -0.56 0.00 0.00 175.26 175.05 3i7n s ILE 959 N -3.33 4.48 0.01 -3.70 1.01 -1.26 -1.23 121.20 117.18 3i7n s ILE 959 Ca 0.01 -0.32 0.11 0.00 0.00 0.00 0.00 60.65 60.45 3i7n s ILE 959 Cb 0.03 -3.21 -0.21 0.00 0.01 0.00 0.00 42.46 39.08 3i7n s ILE 959 CO -0.08 0.18 0.92 -0.07 0.00 0.00 0.00 174.94 175.89 3i7n h LEU 960 N 8.30 0.00 -7.74 2.97 3.38 -1.53 -3.48 115.31 117.21 3i7n h LEU 960 Ca -0.34 0.00 0.25 0.00 0.09 0.00 0.00 57.88 57.87 3i7n h LEU 960 Cb 1.16 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 3i7n h LEU 960 CO 0.60 0.96 0.71 1.51 0.09 0.00 0.00 178.44 182.30 3i7n s ASP 961 N -6.31 -0.04 0.56 -0.43 3.84 -0.91 -4.97 116.67 108.41 3i7n s ASP 961 Ca -0.02 -0.39 0.39 0.00 -0.00 0.00 0.00 52.55 52.53 3i7n s ASP 961 Cb 0.09 0.33 1.51 0.00 -1.38 0.00 0.00 42.92 43.47 3i7n s ASP 961 CO 0.82 -0.64 1.65 0.44 -0.00 0.00 0.00 175.17 177.44 3i7n h ASP 962 N 2.00 0.00 0.00 2.11 5.19 -2.00 -1.64 116.42 122.07 3i7n h ASP 962 Ca -0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 3i7n h ASP 962 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 3i7n h ASP 962 CO 0.31 0.00 -0.32 0.47 -3.12 0.00 0.00 179.24 176.58 3i7n n ASP 963 N -3.90 1.62 -4.46 6.45 8.00 -1.26 -5.01 116.55 117.99 3i7n n ASP 963 Ca 0.30 -0.14 -0.36 0.00 0.71 0.00 0.00 54.79 55.29 3i7n n ASP 963 Cb 1.50 0.61 -0.12 0.00 -0.02 0.00 0.00 41.12 43.09 3i7n n ASP 963 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3i7n s ASN 964 N -0.94 5.17 -0.24 -2.24 0.01 -0.62 -3.81 114.94 112.28 3i7n s ASN 964 Ca 0.00 -0.18 -0.02 0.00 -0.71 0.00 0.00 52.86 51.95 3i7n s ASN 964 Cb 0.00 -1.93 0.02 0.00 0.41 0.00 0.00 41.25 39.75 3i7n s ASN 964 CO 0.00 -0.01 -0.06 -0.36 -1.51 0.00 0.00 177.10 175.16 3i7n s PHE 965 N 1.49 3.03 0.23 2.20 2.99 -0.29 -1.20 117.98 126.43 3i7n s PHE 965 Ca 0.06 -1.40 -0.23 0.00 0.00 0.00 0.00 56.93 55.36 3i7n s PHE 965 Cb -0.15 -2.07 -0.09 0.00 0.00 0.00 0.00 43.02 40.71 3i7n s PHE 965 CO 0.04 -0.69 0.80 -1.17 -0.00 0.00 0.00 175.22 174.20 3i7n s LEU 966 N 1.37 4.43 -0.02 -0.37 0.20 -0.37 -1.32 118.68 122.61 3i7n s LEU 966 Ca 0.02 1.60 -0.06 0.00 0.69 0.00 0.00 54.13 56.38 3i7n s LEU 966 Cb -0.16 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.01 3i7n s LEU 966 CO -0.04 0.07 0.14 -0.83 -0.29 0.00 0.00 176.35 175.39 3i7n s GLY 967 N -1.47 0.00 -0.01 7.98 0.00 0.04 -0.78 107.32 113.08 3i7n s GLY 967 Ca 0.42 0.03 0.02 0.00 0.00 0.00 0.00 44.72 45.19 3i7n s GLY 967 CO 0.24 -0.08 -0.08 0.00 0.00 0.00 0.00 173.10 173.17 3i7n s ALA 968 N -0.93 0.64 0.05 3.20 0.00 -0.68 -0.67 121.76 123.36 3i7n s ALA 968 Ca -0.10 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.44 3i7n s ALA 968 Cb -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.90 3i7n s ALA 968 CO 0.01 0.16 0.18 -1.83 0.00 0.00 0.00 175.76 174.27 3i7n s GLU 969 N -0.17 0.71 0.00 0.00 1.03 -1.05 -1.27 118.70 117.95 3i7n s GLU 969 Ca 0.03 -0.73 0.00 0.00 0.03 0.00 0.00 54.97 54.30 3i7n s GLU 969 Cb -0.03 0.29 0.00 0.00 -0.80 0.00 0.00 34.13 33.59 3i7n s GLU 969 CO -0.00 -0.21 0.00 -1.71 -1.33 0.00 0.00 175.26 172.01 3i7n n ASN 970 N 0.53 0.00 -1.16 0.83 5.15 0.53 -0.86 115.26 120.27 3i7n n ASN 970 Ca -0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 3i7n n ASN 970 Cb 0.60 0.00 0.13 0.00 -0.53 0.00 0.00 39.78 39.97 3i7n n ASN 970 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i7n n ALA 971 N 0.00 3.56 -3.14 5.20 0.00 -1.26 -4.95 120.51 119.91 3i7n n ALA 971 Ca 0.00 -3.16 -0.22 0.00 0.00 0.00 0.00 53.44 50.06 3i7n n ALA 971 Cb 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 19.45 19.00 3i7n n ALA 971 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i7n n PHE 972 N -0.68 -1.84 -4.14 0.00 3.01 -0.04 -4.88 117.46 108.89 3i7n n PHE 972 Ca 0.20 0.46 -0.29 0.00 1.01 0.00 0.00 57.45 58.83 3i7n n PHE 972 Cb 0.84 -3.64 -0.08 0.00 -0.01 0.00 0.00 39.48 36.59 3i7n n PHE 972 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3i7n s ASN 973 N -2.66 4.99 0.11 4.37 0.01 -1.24 -1.61 114.94 118.91 3i7n s ASN 973 Ca 0.32 -0.23 0.06 0.00 -0.71 0.00 0.00 52.86 52.30 3i7n s ASN 973 Cb -0.16 -1.16 -0.04 0.00 0.41 0.00 0.00 41.25 40.30 3i7n s ASN 973 CO 0.40 0.14 -0.04 -0.76 -1.51 0.00 0.00 177.10 175.33 3i7n s LEU 974 N -2.55 3.27 0.04 0.60 1.43 0.30 -2.52 118.68 119.25 3i7n s LEU 974 Ca 0.27 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 52.94 3i7n s LEU 974 Cb -0.11 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.11 3i7n s LEU 974 CO 0.19 0.16 0.30 0.72 0.23 0.00 0.00 176.35 177.95 3i7n s PHE 975 N -1.33 -0.10 -0.04 0.29 -0.12 0.15 -2.20 117.98 114.64 3i7n s PHE 975 Ca 0.24 -0.03 0.06 0.00 -0.05 0.00 0.00 56.93 57.15 3i7n s PHE 975 Cb -0.11 0.09 -0.01 0.00 -0.63 0.00 0.00 43.02 42.35 3i7n s PHE 975 CO 0.16 -0.49 -0.24 0.08 -0.05 0.00 0.00 175.22 174.69 3i7n s VAL 976 N -2.48 1.92 0.07 -2.49 1.01 -0.26 -0.78 120.40 117.39 3i7n s VAL 976 Ca -0.05 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 60.97 3i7n s VAL 976 Cb -0.01 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3i7n s VAL 976 CO -0.03 0.54 -0.09 0.00 0.00 0.00 0.00 175.10 175.53 3i7n s GLN 978 N -1.95 0.75 0.33 0.00 -2.07 -0.65 -1.13 119.66 114.93 3i7n s GLN 978 Ca 0.20 -1.27 -0.28 0.00 -1.82 0.00 0.00 55.36 52.19 3i7n s GLN 978 Cb -0.11 -0.09 -0.10 0.00 -1.09 0.00 0.00 33.01 31.62 3i7n s GLN 978 CO 0.12 -0.04 1.25 -1.59 -1.32 0.00 0.00 175.29 173.71 3i7n s LYS 979 N -3.73 4.37 -0.81 9.60 0.00 -1.25 -1.09 119.74 126.84 3i7n s LYS 979 Ca 0.09 2.08 -0.24 0.00 0.00 0.00 0.00 55.97 57.91 3i7n s LYS 979 Cb 0.05 -3.04 0.06 0.00 0.00 0.00 0.00 37.83 34.90 3i7n s LYS 979 CO -0.06 -0.12 1.20 0.34 0.00 0.00 0.00 175.35 176.71 3i7n s ASP 980 N -0.65 6.31 -0.29 0.03 2.15 -1.21 -4.87 116.67 118.14 3i7n s ASP 980 Ca 0.49 -1.07 -0.28 0.00 0.43 0.00 0.00 52.55 52.12 3i7n s ASP 980 Cb -0.37 -2.50 -0.06 0.00 -0.30 0.00 0.00 42.92 39.69 3i7n s ASP 980 CO 0.49 -1.54 2.27 -1.20 -0.17 0.00 0.00 175.17 175.02 3i7n n SER 981 N 8.36 2.96 -3.64 -0.34 7.64 -1.26 -4.43 113.62 122.92 3i7n n SER 981 Ca 0.11 0.07 -0.10 0.00 1.01 0.00 0.00 58.87 59.95 3i7n n SER 981 Cb 0.48 -1.54 -0.07 0.00 -1.01 0.00 0.00 64.21 62.08 3i7n n SER 981 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i7n s ALA 982 N 9.09 -1.90 0.97 -0.43 0.00 -1.26 -5.11 121.76 123.12 3i7n s ALA 982 Ca 1.01 2.11 -0.13 0.00 0.00 0.00 0.00 51.96 54.95 3i7n s ALA 982 Cb -0.35 -1.36 0.06 0.00 0.00 0.00 0.00 23.12 21.48 3i7n s ALA 982 CO 0.34 -0.33 0.46 0.00 0.00 0.00 0.00 175.76 176.24 3i7n n ALA 983 N 3.08 -2.57 -2.99 0.00 0.00 -1.26 -3.79 120.51 112.97 3i7n n ALA 983 Ca -0.16 -0.69 -0.13 0.00 0.00 0.00 0.00 53.44 52.47 3i7n n ALA 983 Cb 0.56 -1.82 0.04 0.00 0.00 0.00 0.00 19.45 18.23 3i7n n ALA 983 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i7n n THR 984 N -3.80 -1.49 -0.25 0.00 -2.24 -1.26 -4.74 114.28 100.50 3i7n n THR 984 Ca 0.07 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.63 3i7n n THR 984 Cb 0.54 -2.73 -0.06 0.00 -2.10 0.00 0.00 70.33 65.99 3i7n n THR 984 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i7n n THR 985 N -3.87 0.00 0.00 4.28 -2.24 -1.25 -2.67 114.28 108.53 3i7n n THR 985 Ca -0.01 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3i7n n THR 985 Cb 0.54 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 3i7n n THR 985 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i7n n ASP 986 N 6.88 0.00 0.00 3.42 9.92 -1.26 -4.79 116.55 130.72 3i7n n ASP 986 Ca 0.23 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.46 3i7n n ASP 986 Cb 0.20 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.67 3i7n n ASP 986 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3i7n n GLU 987 N -0.45 0.07 0.07 -1.24 4.07 -1.09 -3.94 120.64 118.12 3i7n n GLU 987 Ca 0.00 0.03 0.07 0.00 -0.06 0.00 0.00 57.16 57.20 3i7n n GLU 987 Cb 0.00 -0.62 0.51 0.00 -0.06 0.00 0.00 31.44 31.27 3i7n n GLU 987 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3i7n h GLU 988 N -0.12 0.34 -0.17 5.31 5.08 -1.85 -1.40 114.58 121.77 3i7n h GLU 988 Ca -0.06 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.11 3i7n h GLU 988 Cb 0.74 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3i7n h GLU 988 CO -0.03 0.22 -0.62 -0.09 -1.00 0.00 0.00 179.01 177.49 3i7n h ARG 989 N 0.35 0.58 0.00 2.33 9.65 -1.78 -3.14 114.38 122.37 3i7n h ARG 989 Ca 0.12 -0.40 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 3i7n h ARG 989 Cb 0.06 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 3i7n h ARG 989 CO -0.03 1.02 0.00 0.94 2.80 0.00 0.00 179.97 184.70 3i7n n GLN 990 N -3.93 0.52 -4.90 0.20 -0.06 -0.55 -4.66 117.38 104.00 3i7n n GLN 990 Ca -0.04 0.04 -0.29 0.00 -2.00 0.00 0.00 57.00 54.71 3i7n n GLN 990 Cb 0.65 -1.50 -0.15 0.00 -4.06 0.00 0.00 30.24 25.18 3i7n n GLN 990 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 3i7n s HIS 991 N -2.26 2.13 -0.03 3.69 3.76 -1.04 -2.34 115.29 119.20 3i7n s HIS 991 Ca 0.28 -0.40 0.05 0.00 -0.15 0.00 0.00 55.06 54.84 3i7n s HIS 991 Cb 0.15 -1.30 -0.01 0.00 1.11 0.00 0.00 32.58 32.54 3i7n s HIS 991 CO 0.29 0.08 -0.18 -0.48 -0.85 0.00 0.00 174.74 173.60 3i7n s LEU 992 N -1.06 1.98 -0.02 0.89 0.05 -0.60 -3.32 118.68 116.59 3i7n s LEU 992 Ca 0.10 -0.35 -0.07 0.00 0.05 0.00 0.00 54.13 53.85 3i7n s LEU 992 Cb -0.09 -0.99 -0.05 0.00 -2.05 0.00 0.00 46.19 43.01 3i7n s LEU 992 CO 0.01 0.19 0.25 -1.10 -0.55 0.00 0.00 176.35 175.15 3i7n s GLN 993 N -0.18 3.57 -0.88 1.48 1.11 -0.25 -4.48 119.66 120.04 3i7n s GLN 993 Ca 0.01 -0.06 -0.25 0.00 0.01 0.00 0.00 55.36 55.08 3i7n s GLN 993 Cb -0.10 -3.12 -0.04 0.00 -1.01 0.00 0.00 33.01 28.74 3i7n s GLN 993 CO 0.01 0.68 1.93 -1.21 0.01 0.00 0.00 175.29 176.71 3i7n s GLU 994 N -1.56 2.58 0.00 2.91 2.02 -1.26 -1.64 118.70 121.75 3i7n s GLU 994 Ca 0.25 -0.23 0.16 0.00 0.02 0.00 0.00 54.97 55.17 3i7n s GLU 994 Cb -0.13 -5.01 0.46 0.00 0.10 0.00 0.00 34.13 29.55 3i7n s GLU 994 CO 0.13 -3.30 1.38 1.33 0.02 0.00 0.00 175.26 174.83 3i7n n VAL 995 N 7.80 0.61 -3.64 2.63 0.24 0.04 -4.84 118.33 121.17 3i7n n VAL 995 Ca 0.38 -0.63 -0.09 0.00 -2.04 0.00 0.00 64.34 61.96 3i7n n VAL 995 Cb 0.47 0.37 -0.07 0.00 -1.47 0.00 0.00 33.84 33.14 3i7n n VAL 995 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3i7n s GLY 996 N -1.08 -0.37 0.03 7.63 0.00 -1.20 -3.59 107.32 108.74 3i7n s GLY 996 Ca 0.33 2.50 -0.08 0.00 0.00 0.00 0.00 44.72 47.47 3i7n s GLY 996 CO 0.23 2.09 0.15 1.08 0.00 0.00 0.00 173.10 176.65 3i7n s LEU 997 N 0.84 1.57 0.00 0.66 1.43 -0.61 -1.10 118.68 121.47 3i7n s LEU 997 Ca -0.03 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 3i7n s LEU 997 Cb -0.05 0.77 0.00 0.00 0.03 0.00 0.00 46.19 46.94 3i7n s LEU 997 CO -0.09 -0.51 0.00 0.33 0.23 0.00 0.00 176.35 176.31 3i7n n PHE 998 N 0.83 0.00 -2.84 0.29 7.35 -0.93 -1.30 117.46 120.86 3i7n n PHE 998 Ca -0.19 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.07 3i7n n PHE 998 Cb 0.58 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.37 3i7n n PHE 998 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 3i7n s HIS 999 N 0.00 3.08 -0.06 -5.13 5.65 -0.89 -0.54 115.29 117.40 3i7n s HIS 999 Ca 0.00 0.72 -0.24 0.00 0.25 0.00 0.00 55.06 55.79 3i7n s HIS 999 Cb 0.00 -3.60 -0.27 0.00 -1.18 0.00 0.00 32.58 27.54 3i7n s HIS 999 CO 0.00 -0.81 0.93 1.25 -0.65 0.00 0.00 174.74 175.47 3i7n h LEU 1000N 10.00 0.28 0.00 8.88 6.46 -1.63 -3.43 115.31 135.87 3i7n h LEU 1000Ca -0.23 -0.88 0.00 0.00 -0.12 0.00 0.00 57.88 56.64 3i7n h LEU 1000Cb 1.08 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 3i7n h LEU 1000CO 0.97 1.14 0.00 0.61 -0.62 0.00 0.00 178.44 180.53 3i7n n GLY 1001N 1.38 0.94 3.11 3.75 0.00 -1.00 -5.08 105.19 108.29 3i7n n GLY 1001Ca -0.11 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 3i7n n GLY 1001CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7n s GLU 1002N -0.80 0.66 -0.30 1.61 0.41 -1.26 -4.96 118.70 114.07 3i7n s GLU 1002Ca 0.00 -0.94 -0.20 0.00 -0.41 0.00 0.00 54.97 53.41 3i7n s GLU 1002Cb 0.00 -0.37 -0.01 0.00 -1.78 0.00 0.00 34.13 31.97 3i7n s GLU 1002CO 0.00 0.06 0.64 0.12 -0.49 0.00 0.00 175.26 175.59 3i7n s PHE 1003N -1.94 3.23 -0.31 1.61 5.36 -1.26 -4.35 117.98 120.31 3i7n s PHE 1003Ca -0.03 0.64 -0.22 0.00 -0.96 0.00 0.00 56.93 56.36 3i7n s PHE 1003Cb -0.06 -2.98 -0.00 0.00 -0.34 0.00 0.00 43.02 39.64 3i7n s PHE 1003CO -0.00 -0.45 0.71 0.08 -1.46 0.00 0.00 175.22 174.09 3i7n s VAL 1004N 2.61 4.86 -0.04 3.12 1.01 -1.26 -1.11 120.40 129.59 3i7n s VAL 1004Ca 0.26 1.01 0.12 0.00 0.00 0.00 0.00 61.98 63.37 3i7n s VAL 1004Cb -0.15 -4.08 -0.23 0.00 0.00 0.00 0.00 36.38 31.92 3i7n s VAL 1004CO 0.11 -0.20 0.66 0.59 0.00 0.00 0.00 175.10 176.27 3i7n n ASN 1005N 6.05 0.92 -3.73 3.32 3.02 0.05 -4.06 115.26 120.82 3i7n n ASN 1005Ca 0.01 0.42 -0.12 0.00 -0.03 0.00 0.00 54.58 54.86 3i7n n ASN 1005Cb 0.48 -0.10 -0.12 0.00 -0.61 0.00 0.00 39.78 39.43 3i7n n ASN 1005CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i7n s VAL 1006N -2.60 -0.03 0.02 2.41 0.11 -1.10 -4.74 120.40 114.47 3i7n s VAL 1006Ca -0.05 0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.13 3i7n s VAL 1006Cb 0.08 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 3i7n s VAL 1006CO 0.82 0.04 -0.00 -0.36 -3.33 0.00 0.00 175.10 172.27 3i7n s PHE 1007N 1.08 3.04 -0.17 1.54 0.40 -1.26 -1.21 117.98 121.40 3i7n s PHE 1007Ca -0.08 0.05 -0.22 0.00 -0.60 0.00 0.00 56.93 56.08 3i7n s PHE 1007Cb -0.08 -1.63 0.06 0.00 0.51 0.00 0.00 43.02 41.87 3i7n s PHE 1007CO -0.08 0.46 0.59 0.00 0.70 0.00 0.00 175.22 176.89 3i7n s HIS 1009N -0.13 3.20 0.00 0.00 3.76 -1.26 -0.37 115.29 120.49 3i7n s HIS 1009Ca -0.03 1.40 0.00 0.00 -0.15 0.00 0.00 55.06 56.28 3i7n s HIS 1009Cb -0.03 -3.59 0.00 0.00 1.11 0.00 0.00 32.58 30.06 3i7n s HIS 1009CO 0.03 -1.65 0.00 0.41 -0.85 0.00 0.00 174.74 172.68 3i7n n GLY 1010N 1.32 -0.59 3.34 -2.22 0.00 -0.99 -4.84 105.19 101.22 3i7n n GLY 1010Ca 0.02 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.63 3i7n n GLY 1010CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7n s SER 1011N 0.00 -0.32 0.00 1.61 0.15 -1.26 -4.35 113.70 109.53 3i7n s SER 1011Ca 0.00 -0.16 0.21 0.00 0.70 0.00 0.00 55.95 56.70 3i7n s SER 1011Cb 0.00 0.49 0.43 0.00 -1.71 0.00 0.00 66.02 65.23 3i7n s SER 1011CO 0.00 -0.82 1.38 0.18 1.20 0.00 0.00 173.24 175.17 3i7n n LEU 1012N -0.05 3.42 0.00 3.45 4.77 -1.26 -2.79 117.00 124.53 3i7n n LEU 1012Ca -0.17 -1.60 0.00 0.00 -0.03 0.00 0.00 56.01 54.21 3i7n n LEU 1012Cb 0.63 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3i7n n LEU 1012CO 0.17 0.76 0.00 1.33 -1.33 0.00 0.00 177.39 178.33 3i7n n VAL 1013N 1.39 0.00 0.00 4.08 0.24 -1.26 -4.30 118.33 118.47 3i7n n VAL 1013Ca 0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.49 3i7n n VAL 1013Cb 0.58 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 3i7n n VAL 1013CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 3i7n n MET 1014N 0.00 2.77 0.10 7.34 0.00 -1.26 -4.52 117.12 121.54 3i7n n MET 1014Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3i7n n MET 1014Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 3i7n n MET 1014CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3i7n n GLN 1015N 0.00 0.01 0.00 3.17 1.13 -1.26 -3.90 117.38 116.53 3i7n n GLN 1015Ca 0.00 0.29 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 3i7n n GLN 1015Cb 0.00 -1.02 0.00 0.00 0.11 0.00 0.00 30.24 29.33 3i7n n GLN 1015CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3i7n n PRO 1023N -1.08 0.00 -4.16 -1.09 -0.02 -1.26 -2.59 135.00 124.79 3i7n n PRO 1023Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.32 3i7n n PRO 1023Cb 0.36 -0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.73 3i7n n PRO 1023CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3i7n s THR 1024N 0.00 0.99 -0.02 3.45 -4.23 -1.26 -4.46 115.64 110.10 3i7n s THR 1024Ca 0.00 -1.41 0.07 0.00 -1.18 0.00 0.00 61.69 59.17 3i7n s THR 1024Cb 0.00 -1.13 -0.02 0.00 1.34 0.00 0.00 72.50 72.70 3i7n s THR 1024CO 0.00 -0.37 -0.24 -1.58 -0.54 0.00 0.00 174.62 171.90 3i7n s GLN 1025N -2.11 2.01 0.17 3.99 0.74 -0.65 -4.95 119.66 118.85 3i7n s GLN 1025Ca -0.00 -0.85 0.00 0.00 0.05 0.00 0.00 55.36 54.56 3i7n s GLN 1025Cb -0.07 -1.89 0.00 0.00 1.10 0.00 0.00 33.01 32.14 3i7n s GLN 1025CO 0.01 0.48 0.00 0.41 -0.55 0.00 0.00 175.29 175.65 3i7n n GLY 1026N 2.58 -2.36 3.05 2.59 0.00 -1.26 -0.40 105.19 109.40 3i7n n GLY 1026Ca -0.16 -1.36 -0.08 0.00 0.00 0.00 0.00 46.02 44.42 3i7n n GLY 1026CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7n s SER 1027N -5.52 -0.02 -0.19 1.61 0.15 -1.26 -4.60 113.70 103.86 3i7n s SER 1027Ca 0.00 0.54 -0.01 0.00 0.70 0.00 0.00 55.95 57.18 3i7n s SER 1027Cb 0.00 1.25 0.00 0.00 -1.71 0.00 0.00 66.02 65.56 3i7n s SER 1027CO 0.00 -0.27 -0.12 -0.69 1.20 0.00 0.00 173.24 173.36 3i7n s VAL 1028N 2.59 2.76 0.01 4.45 1.01 -0.36 -2.34 120.40 128.52 3i7n s VAL 1028Ca 0.08 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 3i7n s VAL 1028Cb -0.14 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 3i7n s VAL 1028CO -0.15 0.49 0.29 -0.76 0.00 0.00 0.00 175.10 174.96 3i7n s LEU 1029N 1.24 4.38 0.05 3.92 1.43 0.51 -0.18 118.68 130.02 3i7n s LEU 1029Ca 0.03 0.61 0.03 0.00 -1.03 0.00 0.00 54.13 53.76 3i7n s LEU 1029Cb -0.14 -2.66 -0.02 0.00 0.03 0.00 0.00 46.19 43.39 3i7n s LEU 1029CO -0.06 0.26 -0.09 0.72 0.23 0.00 0.00 176.35 177.41 3i7n s PHE 1030N -1.28 0.75 -0.09 0.29 -0.12 -0.73 -0.91 117.98 115.89 3i7n s PHE 1030Ca 0.27 -0.50 0.03 0.00 -0.05 0.00 0.00 56.93 56.68 3i7n s PHE 1030Cb -0.13 -0.44 0.01 0.00 -0.63 0.00 0.00 43.02 41.82 3i7n s PHE 1030CO 0.15 -0.06 -0.17 0.20 -0.05 0.00 0.00 175.22 175.28 3i7n s GLY 1031N -1.61 1.08 0.36 1.99 0.00 -0.35 -1.42 107.32 107.37 3i7n s GLY 1031Ca -0.09 -0.73 0.09 0.00 0.00 0.00 0.00 44.72 43.99 3i7n s GLY 1031CO 0.01 0.01 0.02 -0.51 0.00 0.00 0.00 173.10 172.63 3i7n s THR 1032N 0.68 2.45 -1.77 0.90 -4.23 -0.55 -0.77 115.64 112.35 3i7n s THR 1032Ca -0.13 -1.97 0.13 0.00 -1.18 0.00 0.00 61.69 58.54 3i7n s THR 1032Cb -0.16 -2.83 0.30 0.00 1.34 0.00 0.00 72.50 71.15 3i7n s THR 1032CO 0.03 -0.15 1.24 0.52 -0.54 0.00 0.00 174.62 175.72 3i7n n VAL 1033N -0.98 0.27 0.02 2.29 0.31 -0.27 -2.56 118.33 117.43 3i7n n VAL 1033Ca -0.04 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3i7n n VAL 1033Cb 0.63 -0.87 -0.00 0.00 -0.91 0.00 0.00 33.84 32.69 3i7n n VAL 1033CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3i7n n ASN 1034N -1.11 1.28 0.00 4.52 3.02 -1.25 -3.60 115.26 118.12 3i7n n ASN 1034Ca 0.08 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 3i7n n ASN 1034Cb 0.07 1.01 0.00 0.00 -0.61 0.00 0.00 39.78 40.24 3i7n n ASN 1034CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i7n n GLY 1035N 1.39 0.80 3.70 7.41 0.00 -0.89 -0.50 105.19 117.10 3i7n n GLY 1035Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i7n n GLY 1035CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i7n s MET 1036N -0.43 4.29 -0.21 1.61 0.00 -1.26 -4.46 119.30 118.83 3i7n s MET 1036Ca 0.00 2.04 -0.05 0.00 0.00 0.00 0.00 55.69 57.68 3i7n s MET 1036Cb 0.00 -3.45 -0.02 0.00 0.00 0.00 0.00 34.83 31.36 3i7n s MET 1036CO 0.00 -0.53 -0.01 0.42 0.00 0.00 0.00 175.02 174.90 3i7n s ILE 1037N 1.92 3.79 0.27 10.11 1.01 -0.86 -1.49 121.20 135.95 3i7n s ILE 1037Ca 0.65 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.95 3i7n s ILE 1037Cb -0.34 -2.72 0.02 0.00 0.01 0.00 0.00 42.46 39.42 3i7n s ILE 1037CO 0.29 0.41 0.13 0.61 0.00 0.00 0.00 174.94 176.38 3i7n n GLY 1038N 4.51 3.25 2.94 6.18 0.00 -0.50 -0.09 105.19 121.47 3i7n n GLY 1038Ca -0.17 -2.26 -0.14 0.00 0.00 0.00 0.00 46.02 43.45 3i7n n GLY 1038CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i7n s LEU 1039N 0.00 0.60 -0.18 0.99 2.96 0.26 -1.77 118.68 121.53 3i7n s LEU 1039Ca 0.10 0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 54.32 3i7n s LEU 1039Cb -0.01 0.41 -0.02 0.00 0.50 0.00 0.00 46.19 47.08 3i7n s LEU 1039CO 0.06 -0.16 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.19 3i7n s VAL 1040N 1.29 3.53 0.36 1.68 1.01 0.75 -2.07 120.40 126.95 3i7n s VAL 1040Ca -0.08 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.49 3i7n s VAL 1040Cb -0.11 -2.56 -0.07 0.00 0.00 0.00 0.00 36.38 33.63 3i7n s VAL 1040CO -0.06 0.46 0.01 -0.89 0.00 0.00 0.00 175.10 174.62 3i7n s THR 1041N 0.88 1.67 0.20 3.92 2.01 -0.20 -1.22 115.64 122.89 3i7n s THR 1041Ca -0.01 -2.03 0.06 0.00 0.31 0.00 0.00 61.69 60.02 3i7n s THR 1041Cb -0.15 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 3i7n s THR 1041CO 0.01 -0.05 0.12 -0.44 -0.69 0.00 0.00 174.62 173.57 3i7n s SER 1042N -3.59 5.34 0.14 3.53 0.01 0.47 -1.55 113.70 118.06 3i7n s SER 1042Ca 0.35 -0.24 0.05 0.00 1.31 0.00 0.00 55.95 57.42 3i7n s SER 1042Cb 0.08 -1.33 -0.04 0.00 0.21 0.00 0.00 66.02 64.94 3i7n s SER 1042CO 0.16 0.04 -0.11 -0.76 0.41 0.00 0.00 173.24 172.98 3i7n s LEU 1043N -3.33 2.50 0.35 2.44 1.43 -0.29 -1.64 118.68 120.13 3i7n s LEU 1043Ca 0.31 -0.96 -0.26 0.00 -1.03 0.00 0.00 54.13 52.19 3i7n s LEU 1043Cb -0.09 -0.39 -0.09 0.00 0.03 0.00 0.00 46.19 45.65 3i7n s LEU 1043CO 0.23 -0.29 1.08 -0.94 0.23 0.00 0.00 176.35 176.66 3i7n s SER 1044N -2.98 6.97 0.44 2.29 1.04 -1.26 -4.81 113.70 115.39 3i7n s SER 1044Ca 0.14 2.16 0.22 0.00 0.48 0.00 0.00 55.95 58.95 3i7n s SER 1044Cb 0.01 -2.61 1.20 0.00 0.10 0.00 0.00 66.02 64.72 3i7n s SER 1044CO 0.01 -0.35 1.82 1.05 0.98 0.00 0.00 173.24 176.75 3i7n h GLU 1045N 3.09 0.29 -0.01 4.02 9.09 -1.98 0.49 114.58 129.58 3i7n h GLU 1045Ca -0.48 -0.02 -0.07 0.00 0.05 0.00 0.00 59.36 58.85 3i7n h GLU 1045Cb 1.21 -0.07 0.01 0.00 -1.65 0.00 0.00 28.75 28.25 3i7n h GLU 1045CO 0.64 0.19 -0.27 0.66 0.05 0.00 0.00 179.01 180.29 3i7n h SER 1046N 0.30 0.25 -0.72 3.06 4.64 -1.98 0.61 113.55 119.70 3i7n h SER 1046Ca 0.53 -0.76 0.10 0.00 -0.47 0.00 0.00 61.79 61.19 3i7n h SER 1046Cb 1.52 -0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 63.46 3i7n h SER 1046CO -0.19 0.97 0.36 -0.50 -0.87 0.00 0.00 176.83 176.60 3i7n h TRP 1047N -0.45 0.64 0.18 4.77 4.06 -1.66 0.36 115.95 123.85 3i7n h TRP 1047Ca -0.03 0.03 0.01 0.00 2.06 0.00 0.00 58.89 60.96 3i7n h TRP 1047Cb 1.01 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.96 3i7n h TRP 1047CO 0.17 0.22 -0.25 -0.92 -3.56 0.00 0.00 178.44 174.10 3i7n h TYR 1048N 0.60 -0.66 -0.53 0.49 3.20 0.03 -0.95 116.97 119.14 3i7n h TYR 1048Ca 0.36 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.26 3i7n h TYR 1048Cb 0.40 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 3i7n h TYR 1048CO -0.11 -0.36 0.32 -0.91 -1.64 0.00 0.00 178.16 175.46 3i7n h ASN 1049N -0.49 0.52 -0.36 -2.11 2.35 -0.06 0.32 115.58 115.75 3i7n h ASN 1049Ca 0.01 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.84 3i7n h ASN 1049Cb 0.48 -0.11 -0.08 0.00 0.05 0.00 0.00 38.32 38.67 3i7n h ASN 1049CO -0.10 0.37 -0.14 0.25 -1.65 0.00 0.00 177.43 176.17 3i7n h LEU 1050N 0.64 -0.47 -0.23 1.61 6.46 -0.10 -2.05 115.31 121.17 3i7n h LEU 1050Ca 0.21 0.13 -0.16 0.00 -0.12 0.00 0.00 57.88 57.94 3i7n h LEU 1050Cb 0.01 0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.22 3i7n h LEU 1050CO -0.09 -0.17 -0.46 -0.07 -0.62 0.00 0.00 178.44 177.03 3i7n h LEU 1051N -0.06 0.81 -0.34 2.25 3.38 0.23 -1.61 115.31 119.96 3i7n h LEU 1051Ca 0.18 -0.54 0.07 0.00 0.09 0.00 0.00 57.88 57.68 3i7n h LEU 1051Cb 0.34 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 3i7n h LEU 1051CO -0.41 1.20 -0.14 0.25 0.09 0.00 0.00 178.44 179.43 3i7n h LEU 1052N 0.45 -0.49 0.31 1.67 6.46 -0.23 0.94 115.31 124.41 3i7n h LEU 1052Ca 0.01 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 3i7n h LEU 1052Cb 1.06 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 41.26 3i7n h LEU 1052CO 0.10 -0.18 -0.30 -0.78 -0.62 0.00 0.00 178.44 176.67 3i7n h ASP 1053N -0.08 -0.80 -0.36 1.25 3.58 -1.24 -1.75 116.42 117.01 3i7n h ASP 1053Ca 0.17 0.06 0.11 0.00 0.42 0.00 0.00 57.03 57.79 3i7n h ASP 1053Cb 0.34 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 3i7n h ASP 1053CO -0.40 -0.40 0.36 -0.03 -2.88 0.00 0.00 179.24 175.89 3i7n h MET 1054N -0.60 0.00 -0.42 0.28 4.05 -0.88 0.70 114.93 118.07 3i7n h MET 1054Ca -0.04 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 3i7n h MET 1054Cb 0.52 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.30 3i7n h MET 1054CO -0.03 0.00 0.27 0.37 0.23 0.00 0.00 176.91 177.76 3i7n h GLN 1055N 0.00 0.55 -0.16 0.39 4.15 0.17 -1.99 115.11 118.22 3i7n h GLN 1055Ca 0.17 -0.04 -0.20 0.00 0.77 0.00 0.00 58.65 59.36 3i7n h GLN 1055Cb 0.88 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 28.46 3i7n h GLN 1055CO -0.00 0.37 -0.66 -0.91 -1.93 0.00 0.00 178.83 175.70 3i7n h ASN 1056N 0.56 0.86 -0.27 -0.69 -0.26 0.12 -2.88 115.58 113.01 3i7n h ASN 1056Ca 0.15 -0.62 0.05 0.00 -0.56 0.00 0.00 56.30 55.33 3i7n h ASN 1056Cb -0.06 -0.25 -0.05 0.00 -1.06 0.00 0.00 38.32 36.90 3i7n h ASN 1056CO -0.03 1.33 -0.05 0.03 -1.06 0.00 0.00 177.43 177.65 3i7n h ARG 1057N 0.43 0.02 -0.26 0.81 3.08 -1.28 -2.45 114.38 114.72 3i7n h ARG 1057Ca -0.04 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.08 3i7n h ARG 1057Cb 1.29 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 3i7n h ARG 1057CO 0.14 0.01 0.19 -0.07 -1.07 0.00 0.00 179.97 179.17 3i7n h LEU 1058N 0.02 0.02 -0.23 3.04 3.38 -1.29 -2.28 115.31 117.97 3i7n h LEU 1058Ca 0.13 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.89 3i7n h LEU 1058Cb 0.20 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3i7n h LEU 1058CO -0.27 0.01 -0.88 0.78 0.09 0.00 0.00 178.44 178.17 3i7n h ASN 1059N 0.02 0.52 -0.34 -0.43 2.35 -1.22 -2.37 115.58 114.11 3i7n h ASN 1059Ca 0.12 -0.40 0.04 0.00 -0.55 0.00 0.00 56.30 55.52 3i7n h ASN 1059Cb 0.47 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.64 3i7n h ASN 1059CO -0.00 1.18 0.11 0.11 -1.65 0.00 0.00 177.43 177.17 3i7n h LYS 1060N 0.25 0.24 -0.50 0.81 1.57 -1.35 -3.22 116.57 114.37 3i7n h LYS 1060Ca -0.06 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 3i7n h LYS 1060Cb 1.50 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.74 3i7n h LYS 1060CO 0.15 0.16 -0.04 0.28 -0.57 0.00 0.00 179.45 179.43 3i7n h VAL 1061N 0.24 1.27 -3.46 0.50 2.07 -1.51 -3.44 116.25 111.92 3i7n h VAL 1061Ca 0.16 -1.14 -0.60 0.00 0.82 0.00 0.00 66.70 65.94 3i7n h VAL 1061Cb 0.14 1.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.81 3i7n h VAL 1061CO -0.17 0.40 0.02 -0.63 0.02 0.00 0.00 177.57 177.21 3i7n s ILE 1062N -4.95 5.07 -0.14 4.57 1.01 -0.90 -5.04 121.20 120.82 3i7n s ILE 1062Ca -0.12 1.03 -0.29 0.00 0.00 0.00 0.00 60.65 61.27 3i7n s ILE 1062Cb 0.12 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 3i7n s ILE 1062CO 0.83 0.14 1.56 -1.59 0.00 0.00 0.00 174.94 175.88 3i7n s LYS 1063N 1.81 4.03 0.22 2.79 0.00 -1.26 -4.88 119.74 122.46 3i7n s LYS 1063Ca 0.25 1.87 -0.13 0.00 0.00 0.00 0.00 55.97 57.97 3i7n s LYS 1063Cb -0.16 -3.96 -0.08 0.00 0.00 0.00 0.00 37.83 33.64 3i7n s LYS 1063CO 0.10 -1.00 0.59 -1.54 0.00 0.00 0.00 175.35 173.50 3i7n s SER 1064N 3.44 6.74 0.00 0.03 1.04 -1.26 -5.03 113.70 118.66 3i7n s SER 1064Ca 0.69 1.06 0.00 0.00 0.48 0.00 0.00 55.95 58.18 3i7n s SER 1064Cb -0.28 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.56 3i7n s SER 1064CO 0.26 -0.04 0.00 0.52 0.98 0.00 0.00 173.24 174.97 3i7n n VAL 1065N 0.15 0.00 0.33 5.02 0.31 -1.26 -2.07 118.33 120.82 3i7n n VAL 1065Ca -0.01 0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 3i7n n VAL 1065Cb 0.52 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 3i7n n VAL 1065CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i7n n GLY 1066N 0.00 0.60 2.98 2.92 0.00 -1.26 -4.51 105.19 105.92 3i7n n GLY 1066Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3i7n n GLY 1066CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i7n n LYS 1067N 0.63 -4.94 -2.62 1.61 4.76 -0.88 -4.84 118.16 111.88 3i7n n LYS 1067Ca 0.00 0.81 -0.41 0.00 -2.87 0.00 0.00 58.31 55.85 3i7n n LYS 1067Cb 0.13 -5.52 -0.04 0.00 -1.84 0.00 0.00 35.03 27.76 3i7n n LYS 1067CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3i7n s ILE 1068N -3.15 4.10 -0.15 -0.18 1.01 -1.26 -5.00 121.20 116.56 3i7n s ILE 1068Ca 0.32 1.84 -0.29 0.00 0.00 0.00 0.00 60.65 62.51 3i7n s ILE 1068Cb -0.14 -4.17 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 3i7n s ILE 1068CO 0.40 0.33 1.21 -0.70 0.00 0.00 0.00 174.94 176.17 3i7n s GLU 1069N -0.41 4.26 0.23 2.79 2.56 -1.26 -4.73 118.70 122.14 3i7n s GLU 1069Ca 0.47 1.61 -0.17 0.00 0.00 0.00 0.00 54.97 56.88 3i7n s GLU 1069Cb -0.27 -3.70 0.25 0.00 2.00 0.00 0.00 34.13 32.40 3i7n s GLU 1069CO 0.33 -0.64 1.56 1.25 -0.56 0.00 0.00 175.26 177.21 3i7n h HIS 1070N 7.92 -0.93 0.00 5.30 -0.00 -1.95 0.22 115.15 125.72 3i7n h HIS 1070Ca -0.27 0.09 -0.03 0.00 -0.00 0.00 0.00 60.37 60.17 3i7n h HIS 1070Cb 1.11 0.54 -0.00 0.00 -0.00 0.00 0.00 27.41 29.05 3i7n h HIS 1070CO 0.78 -0.40 -0.13 0.66 -0.00 0.00 0.00 177.93 178.84 3i7n h SER 1071N -0.04 0.00 -0.47 3.26 4.64 -1.96 0.15 113.55 119.13 3i7n h SER 1071Ca 0.34 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.56 3i7n h SER 1071Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 3i7n h SER 1071CO -0.91 0.13 -0.10 0.15 -0.87 0.00 0.00 176.83 175.23 3i7n h PHE 1072N 0.00 1.01 0.30 4.77 3.57 -1.02 -3.15 116.94 122.42 3i7n h PHE 1072Ca -0.00 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.27 3i7n h PHE 1072Cb 0.67 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.17 3i7n h PHE 1072CO 0.00 0.98 -0.14 2.35 -2.23 0.00 0.00 178.31 179.27 3i7n h TRP 1073N 0.74 -0.37 0.00 0.41 -0.00 -0.35 -2.96 115.95 113.42 3i7n h TRP 1073Ca 0.12 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.00 3i7n h TRP 1073Cb 0.65 0.12 0.00 0.00 -0.00 0.00 0.00 29.16 29.93 3i7n h TRP 1073CO 0.05 -0.21 0.00 0.54 -0.00 0.00 0.00 178.44 178.82 3i7n n ARG 1074N -5.25 0.84 -2.98 2.65 5.12 0.46 -4.65 116.66 112.85 3i7n n ARG 1074Ca -0.10 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.41 3i7n n ARG 1074Cb 0.19 -1.27 -0.05 0.00 -1.16 0.00 0.00 32.46 30.17 3i7n n ARG 1074CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3i7n s SER 1075N -0.52 6.86 -0.06 0.55 0.01 -1.12 -2.09 113.70 117.34 3i7n s SER 1075Ca 0.00 1.06 -0.36 0.00 1.31 0.00 0.00 55.95 57.96 3i7n s SER 1075Cb 0.00 -2.42 -0.14 0.00 0.21 0.00 0.00 66.02 63.68 3i7n s SER 1075CO 0.00 -0.34 1.70 0.33 0.41 0.00 0.00 173.24 175.34 3i7n n PHE 1076N 5.11 2.13 -3.74 2.43 7.35 0.08 -4.33 117.46 126.50 3i7n n PHE 1076Ca 0.02 0.28 -0.12 0.00 -0.76 0.00 0.00 57.45 56.87 3i7n n PHE 1076Cb 0.49 -2.54 -0.11 0.00 0.35 0.00 0.00 39.48 37.67 3i7n n PHE 1076CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 3i7n s HIS 1077N 2.74 -0.41 0.15 -5.13 5.65 -1.26 -1.32 115.29 115.71 3i7n s HIS 1077Ca 0.90 0.96 -0.00 0.00 0.25 0.00 0.00 55.06 57.16 3i7n s HIS 1077Cb -0.82 0.14 -0.04 0.00 -1.18 0.00 0.00 32.58 30.68 3i7n s HIS 1077CO 0.51 -0.23 0.05 0.95 -0.65 0.00 0.00 174.74 175.37 3i7n s THR 1078N 0.76 0.24 0.00 0.89 -4.23 0.90 -4.87 115.64 109.33 3i7n s THR 1078Ca -0.05 -1.94 -0.02 0.00 -1.18 0.00 0.00 61.69 58.50 3i7n s THR 1078Cb -0.06 -2.13 -0.10 0.00 1.34 0.00 0.00 72.50 71.55 3i7n s THR 1078CO -0.05 -0.41 2.44 1.21 -0.54 0.00 0.00 174.62 177.27 3i7n n GLU 1079N -0.16 1.28 0.00 3.99 4.07 -1.26 -2.12 120.64 126.44 3i7n n GLU 1079Ca -0.05 -0.38 0.00 0.00 -0.06 0.00 0.00 57.16 56.67 3i7n n GLU 1079Cb 0.64 -1.44 0.00 0.00 -0.06 0.00 0.00 31.44 30.58 3i7n n GLU 1079CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 3i7n n ARG 1080N 1.98 1.09 -3.49 5.31 1.85 -1.26 -5.14 116.66 117.00 3i7n n ARG 1080Ca 0.17 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.87 3i7n n ARG 1080Cb 0.61 -0.09 -0.04 0.00 -1.05 0.00 0.00 32.46 31.88 3i7n n ARG 1080CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 3i7n s LYS 1081N 0.00 1.08 -0.21 2.89 -2.85 -0.90 -5.14 119.74 114.62 3i7n s LYS 1081Ca 0.00 -0.04 -0.04 0.00 -1.00 0.00 0.00 55.97 54.89 3i7n s LYS 1081Cb 0.00 0.50 0.08 0.00 -2.06 0.00 0.00 37.83 36.35 3i7n s LYS 1081CO 0.00 -0.40 0.15 0.99 0.10 0.00 0.00 175.35 176.19 3i7n s THR 1082N -2.19 -0.18 0.18 3.79 2.01 -1.26 -0.07 115.64 117.92 3i7n s THR 1082Ca -0.05 -0.25 0.09 0.00 0.31 0.00 0.00 61.69 61.79 3i7n s THR 1082Cb -0.00 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 3i7n s THR 1082CO 0.00 -0.33 -0.13 -1.61 -0.69 0.00 0.00 174.62 171.86 3i7n s GLU 1083N 2.21 1.93 0.81 4.92 0.41 -0.43 -5.01 118.70 123.54 3i7n s GLU 1083Ca 0.05 -1.32 -0.11 0.00 -0.41 0.00 0.00 54.97 53.18 3i7n s GLU 1083Cb -0.16 -2.09 0.08 0.00 -1.78 0.00 0.00 34.13 30.18 3i7n s GLU 1083CO -0.15 0.43 1.09 -2.14 -0.49 0.00 0.00 175.26 174.00 3i7n s PRO 1084N -2.76 1.97 0.17 0.39 0.02 -1.26 -0.74 135.00 132.78 3i7n s PRO 1084Ca 0.24 0.74 -0.30 0.00 0.02 0.00 0.00 61.00 61.70 3i7n s PRO 1084Cb -0.09 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.46 3i7n s PRO 1084CO 0.14 -1.72 0.98 0.00 -0.33 0.00 0.00 177.00 176.07 3i7n s ALA 1085N -3.08 3.30 0.08 -1.55 0.00 -1.26 -4.53 121.76 114.72 3i7n s ALA 1085Ca 0.61 0.64 0.06 0.00 0.00 0.00 0.00 51.96 53.27 3i7n s ALA 1085Cb -0.15 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 3i7n s ALA 1085CO 0.55 0.01 -0.16 0.95 0.00 0.00 0.00 175.76 177.11 3i7n s THR 1086N -0.44 1.24 -1.85 0.00 -4.23 -0.42 -4.85 115.64 105.09 3i7n s THR 1086Ca 0.45 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 3i7n s THR 1086Cb -0.25 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.41 3i7n s THR 1086CO 0.32 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 3i7n n GLY 1087N 1.23 1.30 2.93 3.99 0.00 -1.26 -1.57 105.19 111.81 3i7n n GLY 1087Ca -0.21 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 3i7n n GLY 1087CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i7n s PHE 1088N -2.73 0.14 -0.11 1.61 0.40 -1.24 -0.33 117.98 115.72 3i7n s PHE 1088Ca 0.00 -0.27 -0.01 0.00 -0.60 0.00 0.00 56.93 56.06 3i7n s PHE 1088Cb 0.00 -0.10 0.03 0.00 0.51 0.00 0.00 43.02 43.46 3i7n s PHE 1088CO 0.00 -0.09 -0.04 0.42 0.70 0.00 0.00 175.22 176.20 3i7n s ILE 1089N -0.73 0.82 -0.56 0.64 1.01 0.26 -4.95 121.20 117.69 3i7n s ILE 1089Ca -0.08 -0.22 -0.26 0.00 0.00 0.00 0.00 60.65 60.09 3i7n s ILE 1089Cb -0.05 -0.93 0.04 0.00 0.01 0.00 0.00 42.46 41.53 3i7n s ILE 1089CO -0.00 0.28 1.04 1.51 0.00 0.00 0.00 174.94 177.77 3i7n s ASP 1090N 1.78 6.39 0.58 3.58 3.84 -1.26 0.14 116.67 131.73 3i7n s ASP 1090Ca 0.04 -0.14 0.28 0.00 -0.00 0.00 0.00 52.55 52.73 3i7n s ASP 1090Cb -0.13 -2.49 1.53 0.00 -1.38 0.00 0.00 42.92 40.46 3i7n s ASP 1090CO -0.07 -1.32 1.98 1.23 -0.00 0.00 0.00 175.17 176.98 3i7n h GLY 1091N 11.35 0.00 -0.11 2.12 0.00 -1.65 0.39 103.07 115.17 3i7n h GLY 1091Ca -0.26 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.30 3i7n h GLY 1091CO 1.13 0.00 0.51 -0.55 0.00 0.00 0.00 176.54 177.62 3i7n h ASP 1092N 0.00 0.54 0.02 0.19 5.19 -1.87 1.72 116.42 122.22 3i7n h ASP 1092Ca 0.17 0.14 -0.14 0.00 -0.62 0.00 0.00 57.03 56.58 3i7n h ASP 1092Cb 0.91 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.47 3i7n h ASP 1092CO -0.00 0.09 -0.74 0.25 -3.12 0.00 0.00 179.24 175.72 3i7n h LEU 1093N 0.53 0.07 -0.06 1.55 7.12 -0.65 -2.70 115.31 121.18 3i7n h LEU 1093Ca 0.59 -0.78 0.01 0.00 0.13 0.00 0.00 57.88 57.83 3i7n h LEU 1093Cb 1.09 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 41.18 3i7n h LEU 1093CO -0.48 1.30 -0.10 0.40 -0.13 0.00 0.00 178.44 179.43 3i7n h ILE 1094N -0.88 0.00 -1.13 4.05 1.08 -0.91 -1.72 117.51 117.99 3i7n h ILE 1094Ca -0.19 0.00 0.39 0.00 -0.39 0.00 0.00 64.86 64.67 3i7n h ILE 1094Cb 1.25 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.86 3i7n h ILE 1094CO -0.07 0.00 0.68 -0.33 -0.69 0.00 0.00 178.15 177.74 3i7n h GLU 1095N -0.09 0.16 -0.97 2.37 5.08 0.25 0.48 114.58 121.85 3i7n h GLU 1095Ca 0.01 -0.01 0.32 0.00 -1.00 0.00 0.00 59.36 58.68 3i7n h GLU 1095Cb 0.12 -0.04 -0.16 0.00 0.50 0.00 0.00 28.75 29.17 3i7n h GLU 1095CO -0.10 0.10 0.39 1.03 -1.00 0.00 0.00 179.01 179.44 3i7n h SER 1096N 0.16 0.17 -0.46 1.42 0.87 -0.96 -1.86 113.55 112.90 3i7n h SER 1096Ca 0.79 0.23 0.05 0.00 -1.23 0.00 0.00 61.79 61.63 3i7n h SER 1096Cb 2.15 0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 64.32 3i7n h SER 1096CO -0.55 -0.27 -0.24 0.33 -0.53 0.00 0.00 176.83 175.56 3i7n n PHE 1097N -5.23 -0.14 -0.02 2.24 7.35 0.17 -1.18 117.46 120.65 3i7n n PHE 1097Ca 0.30 0.57 0.19 0.00 -0.76 0.00 0.00 57.45 57.74 3i7n n PHE 1097Cb 0.97 -0.57 0.65 0.00 0.35 0.00 0.00 39.48 40.88 3i7n n PHE 1097CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3i7n h LEU 1098N 0.00 0.07 0.00 -2.13 3.38 -1.55 0.86 115.31 115.94 3i7n h LEU 1098Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3i7n h LEU 1098Cb 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3i7n h LEU 1098CO -0.44 0.04 0.00 0.47 0.09 0.00 0.00 178.44 178.60 3i7n n ASP 1099N -4.40 0.00 -4.86 -0.43 8.00 -0.33 -4.83 116.55 109.70 3i7n n ASP 1099Ca 0.10 -0.69 -0.33 0.00 0.71 0.00 0.00 54.79 54.58 3i7n n ASP 1099Cb 0.57 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.61 3i7n n ASP 1099CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i7n s ILE 1100N -2.00 4.86 0.34 0.53 1.01 0.29 -5.06 121.20 121.17 3i7n s ILE 1100Ca 0.33 0.63 -0.28 0.00 0.00 0.00 0.00 60.65 61.33 3i7n s ILE 1100Cb 0.15 -3.63 -0.10 0.00 0.01 0.00 0.00 42.46 38.89 3i7n s ILE 1100CO 0.25 -0.05 1.26 -0.94 0.00 0.00 0.00 174.94 175.46 3i7n s SER 1101N -2.25 6.75 0.41 3.58 1.04 -1.26 -4.84 113.70 117.12 3i7n s SER 1101Ca 0.48 2.58 0.14 0.00 0.48 0.00 0.00 55.95 59.63 3i7n s SER 1101Cb -0.12 -2.64 1.00 0.00 0.10 0.00 0.00 66.02 64.36 3i7n s SER 1101CO 0.20 -0.54 1.90 -0.09 0.98 0.00 0.00 173.24 175.69 3i7n h ARG 1102N 3.25 0.47 0.12 4.02 2.43 -1.96 0.26 114.38 122.97 3i7n h ARG 1102Ca -0.49 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3i7n h ARG 1102Cb 1.23 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 3i7n h ARG 1102CO 0.65 0.31 -0.21 -1.00 -1.51 0.00 0.00 179.97 178.21 3i7n h PRO 1103N 0.48 -0.34 0.00 0.20 0.13 -2.00 0.29 132.00 130.77 3i7n h PRO 1103Ca 0.40 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.55 3i7n h PRO 1103Cb 0.85 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3i7n h PRO 1103CO -0.14 -0.22 0.09 0.87 -0.23 0.00 0.00 178.00 178.36 3i7n h LYS 1104N -0.35 0.00 0.02 0.86 1.57 -1.73 0.92 116.57 117.86 3i7n h LYS 1104Ca -0.01 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.51 3i7n h LYS 1104Cb 0.32 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 3i7n h LYS 1104CO -0.07 0.00 -1.32 1.98 -0.57 0.00 0.00 179.45 179.47 3i7n h MET 1105N 0.00 0.04 -0.21 3.15 4.05 -0.21 -3.30 114.93 118.45 3i7n h MET 1105Ca 0.00 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.32 3i7n h MET 1105Cb 0.18 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 3i7n h MET 1105CO 0.00 0.85 0.01 1.96 0.23 0.00 0.00 176.91 179.96 3i7n h GLN 1106N 0.01 0.37 -0.99 0.39 1.08 0.21 -3.05 115.11 113.13 3i7n h GLN 1106Ca -0.14 -0.11 0.21 0.00 -1.45 0.00 0.00 58.65 57.16 3i7n h GLN 1106Cb 1.89 -0.04 -0.10 0.00 -0.05 0.00 0.00 27.48 29.19 3i7n h GLN 1106CO 0.12 0.55 0.62 0.93 -0.95 0.00 0.00 178.83 180.10 3i7n h GLU 1107N 0.14 0.60 0.00 1.46 5.08 -1.62 0.35 114.58 120.59 3i7n h GLU 1107Ca 0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3i7n h GLU 1107Cb 0.38 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3i7n h GLU 1107CO 0.01 0.39 0.22 0.28 -1.00 0.00 0.00 179.01 178.92 3i7n n VAL 1108N -4.69 0.79 -4.73 3.13 0.31 -1.15 -4.35 118.33 107.64 3i7n n VAL 1108Ca 0.23 0.71 -0.24 0.00 -0.01 0.00 0.00 64.34 65.03 3i7n n VAL 1108Cb 0.66 -1.71 -0.15 0.00 -0.91 0.00 0.00 33.84 31.73 3i7n n VAL 1108CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3i7n s VAL 1109N -3.29 1.35 0.00 2.52 1.01 0.12 -4.86 120.40 117.25 3i7n s VAL 1109Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3i7n s VAL 1109Cb 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.28 3i7n s VAL 1109CO 0.12 0.31 0.00 0.00 0.00 0.00 0.00 175.10 175.53 3i7n n ALA 1110N 2.47 0.00 -3.59 5.51 0.00 -1.26 -4.95 120.51 118.69 3i7n n ALA 1110Ca -0.15 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.24 3i7n n ALA 1110Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 3i7n n ALA 1110CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i7n s ASN 1111N 0.00 -0.23 0.00 0.00 4.22 -1.26 -5.11 114.94 112.56 3i7n s ASN 1111Ca 0.00 -0.08 0.00 0.00 -2.14 0.00 0.00 52.86 50.64 3i7n s ASN 1111Cb 0.00 0.30 0.00 0.00 1.28 0.00 0.00 41.25 42.83 3i7n s ASN 1111CO 0.00 -0.51 0.00 -2.11 -2.04 0.00 0.00 177.10 172.44 3i7n n ARG 1122N -0.27 0.00 -4.15 3.55 1.85 -1.26 -4.59 116.66 111.80 3i7n n ARG 1122Ca -0.06 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.63 3i7n n ARG 1122Cb 0.61 -0.41 -0.05 0.00 -1.05 0.00 0.00 32.46 31.56 3i7n n ARG 1122CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 3i7n s GLU 1123N -2.84 1.93 -0.04 2.89 2.12 -1.26 -5.19 118.70 116.32 3i7n s GLU 1123Ca 0.00 -1.88 -0.05 0.00 0.36 0.00 0.00 54.97 53.39 3i7n s GLU 1123Cb 0.00 0.42 0.01 0.00 0.26 0.00 0.00 34.13 34.82 3i7n s GLU 1123CO 0.00 -0.78 0.13 0.00 -0.54 0.00 0.00 175.26 174.07 3i7n s ALA 1124N -3.03 -0.33 0.28 6.30 0.00 -1.26 -5.18 121.76 118.54 3i7n s ALA 1124Ca 0.34 0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 3i7n s ALA 1124Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 3i7n s ALA 1124CO 0.24 -0.11 0.32 0.99 0.00 0.00 0.00 175.76 177.20 3i7n s THR 1125N -0.34 0.00 -0.34 0.00 2.01 -1.26 -5.04 115.64 110.67 3i7n s THR 1125Ca -0.04 -1.80 0.18 0.00 0.31 0.00 0.00 61.69 60.33 3i7n s THR 1125Cb -0.03 -2.50 -0.24 0.00 0.01 0.00 0.00 72.50 69.74 3i7n s THR 1125CO 0.00 0.00 0.53 0.00 -0.69 0.00 0.00 174.62 174.46 3i7n n ALA 1126N -0.47 3.30 -1.95 7.40 0.00 -1.26 -4.68 120.51 122.86 3i7n n ALA 1126Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3i7n n ALA 1126Cb 0.63 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3i7n n ALA 1126CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i7n n ASP 1127N -1.84 0.00 0.04 0.00 5.75 -1.26 -4.79 116.55 114.45 3i7n n ASP 1127Ca -0.01 -0.96 -0.02 0.00 -0.01 0.00 0.00 54.79 53.80 3i7n n ASP 1127Cb 0.39 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.73 3i7n n ASP 1127CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 3i7n h ASP 1128N 0.00 0.41 0.06 -1.12 -0.00 -1.99 -3.26 116.42 110.52 3i7n h ASP 1128Ca 0.00 -0.12 -0.12 0.00 -0.00 0.00 0.00 57.03 56.79 3i7n h ASP 1128Cb 0.96 -0.11 0.01 0.00 -0.00 0.00 0.00 39.33 40.19 3i7n h ASP 1128CO 0.00 0.62 -0.52 -0.07 -0.00 0.00 0.00 179.24 179.28 3i7n h LEU 1129N 0.38 0.35 -1.39 2.28 -0.00 -1.88 -1.71 115.31 113.34 3i7n h LEU 1129Ca 0.06 -0.88 0.44 0.00 -0.00 0.00 0.00 57.88 57.50 3i7n h LEU 1129Cb 0.56 -0.11 -0.10 0.00 -0.00 0.00 0.00 40.66 41.01 3i7n h LEU 1129CO 0.04 1.20 0.95 0.00 -0.00 0.00 0.00 178.44 180.63 3i7n n ILE 1130N -4.31 -0.13 0.00 1.22 3.06 -1.25 -0.03 119.36 117.93 3i7n n ILE 1130Ca -0.12 1.43 -0.14 0.00 -2.50 0.00 0.00 62.75 61.42 3i7n n ILE 1130Cb 0.67 -2.36 -0.14 0.00 0.54 0.00 0.00 39.64 38.35 3i7n n ILE 1130CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 3i7n h LYS 1131N 0.00 0.12 -0.34 9.51 3.64 -1.40 -2.81 116.57 125.29 3i7n h LYS 1131Ca 0.77 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.93 3i7n h LYS 1131Cb 2.76 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 34.64 3i7n h LYS 1131CO -0.24 0.83 0.19 0.28 -2.27 0.00 0.00 179.45 178.24 3i7n h VAL 1132N 0.03 1.14 -0.39 2.00 2.07 0.18 -2.49 116.25 118.80 3i7n h VAL 1132Ca -0.32 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 66.74 3i7n h VAL 1132Cb 2.02 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 3i7n h VAL 1132CO 0.09 0.14 -0.09 0.58 0.02 0.00 0.00 177.57 178.31 3i7n h VAL 1133N 0.43 1.28 0.07 2.57 2.07 -0.56 -2.72 116.25 119.38 3i7n h VAL 1133Ca 0.12 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.49 3i7n h VAL 1133Cb 0.06 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 3i7n h VAL 1133CO -0.02 0.39 -0.43 -0.33 0.02 0.00 0.00 177.57 177.20 3i7n h GLU 1134N 0.55 -0.61 -1.29 1.57 5.08 -1.54 -1.40 114.58 116.93 3i7n h GLU 1134Ca 0.10 0.04 0.37 0.00 -1.00 0.00 0.00 59.36 58.87 3i7n h GLU 1134Cb 0.61 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 3i7n h GLU 1134CO 0.04 -0.41 0.96 0.93 -1.00 0.00 0.00 179.01 179.53 3i7n h GLU 1135N -0.64 0.00 0.04 2.33 5.08 -1.15 0.05 114.58 120.30 3i7n h GLU 1135Ca 0.03 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 3i7n h GLU 1135Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3i7n h GLU 1135CO -0.28 0.00 -0.37 -0.07 -1.00 0.00 0.00 179.01 177.29 3i7n h LEU 1136N 0.00 0.15 -1.39 1.33 3.38 -0.99 -3.29 115.31 114.49 3i7n h LEU 1136Ca 0.61 -0.95 0.23 0.00 0.09 0.00 0.00 57.88 57.87 3i7n h LEU 1136Cb 2.52 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 43.19 3i7n h LEU 1136CO -0.01 1.17 0.94 0.71 0.09 0.00 0.00 178.44 181.34 3i7n h THR 1137N -0.80 0.12 -0.25 0.22 1.35 -0.22 0.19 112.91 113.52 3i7n h THR 1137Ca -0.08 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.78 3i7n h THR 1137Cb 1.23 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 3i7n h THR 1137CO 0.03 0.00 0.01 0.54 -0.25 0.00 0.00 175.52 175.85 3i7n n ARG 1138N -3.39 2.63 0.01 4.72 1.74 -1.20 -3.74 116.66 117.43 3i7n n ARG 1138Ca 0.17 -1.34 0.13 0.00 -0.77 0.00 0.00 57.85 56.04 3i7n n ARG 1138Cb 1.19 -1.82 0.44 0.00 -1.02 0.00 0.00 32.46 31.25 3i7n n ARG 1138CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3i7n n ILE 1139N 0.25 0.04 -1.41 0.55 5.41 0.67 -4.98 119.36 119.89 3i7n n ILE 1139Ca 0.12 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.85 3i7n n ILE 1139Cb 0.67 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 3i7n n ILE 1139CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55