#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs7 s LEU 10 N 0.00 4.26 0.02 -1.84 0.05 -1.26 -3.42 118.68 116.50 1vs7 s LEU 10 Ca 0.00 0.94 0.07 0.00 0.05 0.00 0.00 54.13 55.18 1vs7 s LEU 10 Cb 0.00 -2.85 -0.03 0.00 -2.05 0.00 0.00 46.19 41.26 1vs7 s LEU 10 CO 0.00 -0.09 -0.18 0.00 -0.55 0.00 0.00 176.35 175.53 1vs7 s GLN 11 N 0.91 2.14 -0.28 1.48 -2.07 0.20 -4.94 119.66 117.10 1vs7 s GLN 11 Ca 0.30 -0.93 0.03 0.00 -1.82 0.00 0.00 55.36 52.94 1vs7 s GLN 11 Cb -0.16 -2.20 0.07 0.00 -1.09 0.00 0.00 33.01 29.63 1vs7 s GLN 11 CO 0.13 0.56 -0.07 -1.21 -1.32 0.00 0.00 175.29 173.37 1vs7 s GLU 12 N -1.24 2.06 -0.19 9.60 2.02 -1.26 -1.28 118.70 128.41 1vs7 s GLU 12 Ca 0.14 -1.46 -0.05 0.00 0.02 0.00 0.00 54.97 53.62 1vs7 s GLU 12 Cb -0.10 -2.95 -0.03 0.00 0.10 0.00 0.00 34.13 31.15 1vs7 s GLU 12 CO 0.04 -0.65 0.01 0.21 0.02 0.00 0.00 175.26 174.88 1vs7 s LYS 13 N 1.06 3.68 -0.17 1.61 2.36 -0.69 -4.96 119.74 122.63 1vs7 s LYS 13 Ca -0.05 -0.49 -0.23 0.00 -2.55 0.00 0.00 55.97 52.65 1vs7 s LYS 13 Cb -0.20 -3.08 -0.02 0.00 -1.05 0.00 0.00 37.83 33.48 1vs7 s LYS 13 CO -0.06 0.07 0.70 -1.17 1.55 0.00 0.00 175.35 176.45 1vs7 s LEU 14 N 0.84 4.17 0.00 5.43 1.98 -1.26 -1.88 118.68 127.97 1vs7 s LEU 14 Ca 0.01 0.99 0.00 0.00 -2.89 0.00 0.00 54.13 52.24 1vs7 s LEU 14 Cb -0.14 -3.03 0.00 0.00 0.66 0.00 0.00 46.19 43.68 1vs7 s LEU 14 CO 0.02 -0.30 0.00 -0.38 -1.89 0.00 0.00 176.35 173.80 1vs7 n ILE 15 N 4.60 0.00 -1.51 6.68 5.41 -0.79 -5.01 119.36 128.74 1vs7 n ILE 15 Ca 0.01 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.42 1vs7 n ILE 15 Cb 0.50 0.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.51 1vs7 n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vs7 s ALA 16 N -3.14 2.21 -0.49 -1.39 0.00 -1.25 -4.80 121.76 112.90 1vs7 s ALA 16 Ca 0.00 0.75 0.06 0.00 0.00 0.00 0.00 51.96 52.77 1vs7 s ALA 16 Cb 0.00 -3.42 0.23 0.00 0.00 0.00 0.00 23.12 19.93 1vs7 s ALA 16 CO 0.00 -1.71 0.83 1.55 0.00 0.00 0.00 175.76 176.43 1vs7 n VAL 17 N -2.69 -0.05 -2.79 0.00 3.14 -1.26 -1.17 118.33 113.52 1vs7 n VAL 17 Ca 0.12 -1.52 -0.27 0.00 -2.96 0.00 0.00 64.34 59.71 1vs7 n VAL 17 Cb 0.51 1.19 -0.01 0.00 -1.06 0.00 0.00 33.84 34.47 1vs7 n VAL 17 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1vs7 s ASN 18 N -1.07 6.30 0.19 6.55 2.20 -0.90 -4.79 114.94 123.41 1vs7 s ASN 18 Ca 0.32 0.87 0.00 0.00 -0.94 0.00 0.00 52.86 53.11 1vs7 s ASN 18 Cb 0.17 -2.22 0.00 0.00 -2.00 0.00 0.00 41.25 37.20 1vs7 s ASN 18 CO -0.20 -0.51 0.00 -1.14 -2.94 0.00 0.00 177.10 172.32 1vs7 n ARG 19 N -2.05 1.29 0.00 3.55 0.63 -1.26 -1.15 116.66 117.67 1vs7 n ARG 19 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1vs7 n ARG 19 Cb 0.55 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.46 1vs7 n ARG 19 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1vs7 n VAL 20 N -0.48 0.00 -4.19 5.15 3.14 0.93 -4.71 118.33 118.17 1vs7 n VAL 20 Ca 0.00 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.14 1vs7 n VAL 20 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 1vs7 n VAL 20 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1vs7 s SER 21 N 0.00 5.06 0.00 6.55 0.15 -1.26 -0.48 113.70 123.72 1vs7 s SER 21 Ca 0.00 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1vs7 s SER 21 Cb 0.00 -1.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.16 1vs7 s SER 21 CO 0.00 0.02 0.00 1.17 1.20 0.00 0.00 173.24 175.63 1vs7 n LYS 22 N -0.76 1.26 -2.36 5.44 4.81 -0.47 -4.90 118.16 121.19 1vs7 n LYS 22 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 1vs7 n LYS 22 Cb 0.57 -0.90 0.00 0.00 0.02 0.00 0.00 35.03 34.72 1vs7 n LYS 22 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1vs7 n THR 23 N -1.35 -0.90 -1.38 3.15 5.66 -1.26 -4.79 114.28 113.41 1vs7 n THR 23 Ca 0.00 0.07 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1vs7 n THR 23 Cb 0.00 -1.96 0.00 0.00 -1.55 0.00 0.00 70.33 66.82 1vs7 n THR 23 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1vs7 n VAL 24 N 1.96 0.00 1.71 1.08 0.24 0.20 -4.92 118.33 118.60 1vs7 n VAL 24 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.40 1vs7 n VAL 24 Cb 0.07 -0.89 0.51 0.00 -1.47 0.00 0.00 33.84 32.06 1vs7 n VAL 24 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1vs7 n LYS 25 N 0.00 1.28 -0.32 7.34 2.85 -1.26 -3.65 118.16 124.40 1vs7 n LYS 25 Ca 0.00 -0.42 0.02 0.00 -1.05 0.00 0.00 58.31 56.86 1vs7 n LYS 25 Cb 0.00 -1.34 0.02 0.00 -0.65 0.00 0.00 35.03 33.06 1vs7 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vs7 n GLY 26 N 0.93 0.72 0.00 2.58 0.00 -1.26 -5.13 105.19 103.03 1vs7 n GLY 26 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1vs7 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs7 n GLY 27 N -0.26 0.83 3.87 -0.02 0.00 -1.24 -5.09 105.19 103.28 1vs7 n GLY 27 Ca 0.03 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.65 1vs7 n GLY 27 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1vs7 s ARG 28 N -1.08 3.79 -0.21 1.61 1.70 -1.26 0.59 118.95 124.08 1vs7 s ARG 28 Ca 0.00 0.54 0.01 0.00 -0.47 0.00 0.00 55.73 55.81 1vs7 s ARG 28 Cb 0.00 -2.34 0.04 0.00 -0.57 0.00 0.00 34.95 32.08 1vs7 s ARG 28 CO 0.00 -0.10 -0.12 0.42 -1.08 0.00 0.00 175.30 174.42 1vs7 s ILE 29 N -2.46 1.85 0.41 4.99 -1.09 -1.26 -4.74 121.20 118.90 1vs7 s ILE 29 Ca 0.52 -1.17 -0.23 0.00 -2.23 0.00 0.00 60.65 57.54 1vs7 s ILE 29 Cb -0.10 -1.89 -0.09 0.00 -1.58 0.00 0.00 42.46 38.79 1vs7 s ILE 29 CO 0.33 0.17 1.03 0.72 -1.23 0.00 0.00 174.94 175.96 1vs7 s PHE 30 N 1.30 3.27 -0.08 3.97 -0.12 -1.26 -1.36 117.98 123.70 1vs7 s PHE 30 Ca -0.02 1.64 -0.28 0.00 -0.05 0.00 0.00 56.93 58.22 1vs7 s PHE 30 Cb -0.17 -3.07 0.06 0.00 -0.63 0.00 0.00 43.02 39.22 1vs7 s PHE 30 CO -0.08 -0.52 0.64 -1.12 -0.05 0.00 0.00 175.22 174.08 1vs7 s SER 31 N -1.70 -0.61 0.13 1.98 0.01 0.37 -4.81 113.70 109.06 1vs7 s SER 31 Ca 0.59 0.75 0.08 0.00 1.31 0.00 0.00 55.95 58.68 1vs7 s SER 31 Cb -0.19 0.64 -0.04 0.00 0.21 0.00 0.00 66.02 66.64 1vs7 s SER 31 CO 0.24 -0.54 -0.14 -0.36 0.41 0.00 0.00 173.24 172.86 1vs7 s PHE 32 N -0.97 2.62 -0.03 2.43 0.40 -0.63 -0.05 117.98 121.75 1vs7 s PHE 32 Ca -0.10 -0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 1vs7 s PHE 32 Cb -0.01 -1.35 0.03 0.00 0.51 0.00 0.00 43.02 42.19 1vs7 s PHE 32 CO 0.08 0.43 0.00 0.95 0.70 0.00 0.00 175.22 177.38 1vs7 s THR 33 N -1.31 0.16 -0.04 0.64 -4.23 -0.30 -2.41 115.64 108.14 1vs7 s THR 33 Ca 0.21 0.08 0.04 0.00 -1.18 0.00 0.00 61.69 60.84 1vs7 s THR 33 Cb -0.10 -0.25 -0.00 0.00 1.34 0.00 0.00 72.50 73.49 1vs7 s THR 33 CO 0.12 0.13 -0.17 0.00 -0.54 0.00 0.00 174.62 174.16 1vs7 s ALA 34 N 0.94 1.55 -0.42 3.99 0.00 -1.15 -2.12 121.76 124.55 1vs7 s ALA 34 Ca -0.09 -0.70 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 1vs7 s ALA 34 Cb -0.13 -0.51 0.10 0.00 0.00 0.00 0.00 23.12 22.59 1vs7 s ALA 34 CO -0.02 0.28 0.23 -1.17 0.00 0.00 0.00 175.76 175.09 1vs7 s LEU 35 N 0.03 5.25 0.00 0.00 0.20 -0.31 -2.96 118.68 120.89 1vs7 s LEU 35 Ca -0.04 -1.88 0.09 0.00 0.69 0.00 0.00 54.13 53.00 1vs7 s LEU 35 Cb -0.11 -1.89 0.10 0.00 -0.43 0.00 0.00 46.19 43.86 1vs7 s LEU 35 CO 0.02 -0.56 0.82 0.41 -0.29 0.00 0.00 176.35 176.75 1vs7 n THR 36 N 4.72 0.00 -3.75 3.68 -1.04 -1.08 -1.89 114.28 114.92 1vs7 n THR 36 Ca -0.05 -1.93 -0.12 0.00 -2.04 0.00 0.00 64.05 59.90 1vs7 n THR 36 Cb 0.42 -0.53 -0.11 0.00 -1.82 0.00 0.00 70.33 68.28 1vs7 n THR 36 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1vs7 s VAL 37 N -2.66 -0.01 -0.22 12.58 1.01 -0.79 -2.84 120.40 127.47 1vs7 s VAL 37 Ca 0.62 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.65 1vs7 s VAL 37 Cb -0.05 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 35.94 1vs7 s VAL 37 CO 0.39 0.02 -0.08 -0.69 0.00 0.00 0.00 175.10 174.74 1vs7 s VAL 38 N 0.55 1.66 0.00 2.92 1.01 -0.86 -1.70 120.40 123.98 1vs7 s VAL 38 Ca -0.03 -1.18 0.06 0.00 0.00 0.00 0.00 61.98 60.83 1vs7 s VAL 38 Cb -0.05 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1vs7 s VAL 38 CO -0.03 0.02 -0.18 -0.83 0.00 0.00 0.00 175.10 174.09 1vs7 s GLY 39 N 1.36 1.52 0.00 4.51 0.00 -0.40 0.94 107.32 115.25 1vs7 s GLY 39 Ca -0.04 -1.11 0.28 0.00 0.00 0.00 0.00 44.72 43.84 1vs7 s GLY 39 CO -0.07 -0.96 1.76 2.09 0.00 0.00 0.00 173.10 175.92 1vs7 n ASP 40 N 1.90 0.63 0.00 1.64 5.75 -0.20 0.61 116.55 126.88 1vs7 n ASP 40 Ca -0.16 -0.64 0.00 0.00 -0.01 0.00 0.00 54.79 53.98 1vs7 n ASP 40 Cb 0.52 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1vs7 n ASP 40 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vs7 n GLY 41 N 1.31 0.67 0.00 6.12 0.00 -0.51 -4.16 105.19 108.61 1vs7 n GLY 41 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1vs7 n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vs7 n ASN 42 N 0.00 0.00 -0.34 1.61 5.03 -1.26 -3.59 115.26 116.71 1vs7 n ASN 42 Ca 0.00 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.49 1vs7 n ASN 42 Cb 0.00 0.00 0.05 0.00 -1.02 0.00 0.00 39.78 38.81 1vs7 n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1vs7 n GLY 43 N 3.90 0.46 3.39 7.41 0.00 -1.26 -3.93 105.19 115.16 1vs7 n GLY 43 Ca 0.00 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 1vs7 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vs7 s ARG 44 N -0.75 2.90 0.18 1.61 0.52 -1.19 -1.80 118.95 120.42 1vs7 s ARG 44 Ca 0.11 -1.03 0.08 0.00 -0.52 0.00 0.00 55.73 54.37 1vs7 s ARG 44 Cb 0.07 -3.73 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 1vs7 s ARG 44 CO 0.10 -0.67 -0.04 0.08 0.02 0.00 0.00 175.30 174.79 1vs7 s VAL 45 N 1.57 3.49 0.00 3.52 1.01 -0.82 -1.03 120.40 128.15 1vs7 s VAL 45 Ca 0.03 -1.55 0.03 0.00 0.00 0.00 0.00 61.98 60.49 1vs7 s VAL 45 Cb -0.19 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 1vs7 s VAL 45 CO 0.07 -0.13 -0.10 -0.83 0.00 0.00 0.00 175.10 174.11 1vs7 s GLY 46 N -2.94 0.54 -0.19 4.51 0.00 0.27 -2.34 107.32 107.16 1vs7 s GLY 46 Ca 0.27 -0.51 0.01 0.00 0.00 0.00 0.00 44.72 44.49 1vs7 s GLY 46 CO 0.17 -0.46 -0.16 -0.12 0.00 0.00 0.00 173.10 172.53 1vs7 s PHE 47 N -0.40 2.75 0.17 1.90 5.99 -1.26 -2.02 117.98 125.10 1vs7 s PHE 47 Ca 0.03 -1.71 0.07 0.00 0.00 0.00 0.00 56.93 55.31 1vs7 s PHE 47 Cb -0.05 -1.85 -0.04 0.00 0.00 0.00 0.00 43.02 41.08 1vs7 s PHE 47 CO -0.00 -0.80 -0.15 0.20 -0.00 0.00 0.00 175.22 174.47 1vs7 s GLY 48 N 1.29 1.28 -0.29 13.12 0.00 -1.13 -4.25 107.32 117.35 1vs7 s GLY 48 Ca 0.02 -1.50 0.01 0.00 0.00 0.00 0.00 44.72 43.25 1vs7 s GLY 48 CO -0.11 -1.58 0.53 -0.47 0.00 0.00 0.00 173.10 171.47 1vs7 s TYR 49 N -2.57 -1.45 0.38 1.90 5.04 -1.25 -2.62 117.35 116.77 1vs7 s TYR 49 Ca 0.17 1.14 0.08 0.00 -2.44 0.00 0.00 57.07 56.02 1vs7 s TYR 49 Cb -0.03 0.28 -0.05 0.00 0.35 0.00 0.00 41.96 42.52 1vs7 s TYR 49 CO 0.05 -0.93 0.16 0.20 -1.34 0.00 0.00 175.55 173.69 1vs7 s GLY 50 N 2.74 2.14 -0.02 8.97 0.00 -1.15 -4.91 107.32 115.10 1vs7 s GLY 50 Ca 0.14 -1.97 -0.00 0.00 0.00 0.00 0.00 44.72 42.89 1vs7 s GLY 50 CO -0.23 -1.84 0.03 0.54 0.00 0.00 0.00 173.10 171.60 1vs7 s LYS 51 N -3.88 -0.01 0.04 2.90 1.02 -1.26 -2.94 119.74 115.61 1vs7 s LYS 51 Ca 0.40 0.13 -0.13 0.00 0.02 0.00 0.00 55.97 56.39 1vs7 s LYS 51 Cb 0.00 -0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.20 1vs7 s LYS 51 CO 0.23 -0.10 0.28 0.00 -0.92 0.00 0.00 175.35 174.84 1vs7 s ALA 52 N 0.62 -0.61 -1.49 5.17 0.00 -1.01 -4.75 121.76 119.69 1vs7 s ALA 52 Ca -0.05 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 51.91 1vs7 s ALA 52 Cb -0.07 0.29 0.17 0.00 0.00 0.00 0.00 23.12 23.50 1vs7 s ALA 52 CO -0.02 -0.38 0.90 -2.13 0.00 0.00 0.00 175.76 174.12 1vs7 n ARG 53 N 0.68 0.05 -4.23 0.00 0.63 -1.26 -1.60 116.66 110.93 1vs7 n ARG 53 Ca -0.19 0.23 -0.13 0.00 -0.92 0.00 0.00 57.85 56.84 1vs7 n ARG 53 Cb 0.59 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 31.90 1vs7 n ARG 53 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1vs7 s GLU 54 N -2.51 1.26 -0.05 -0.14 -1.05 -1.26 -4.71 118.70 110.24 1vs7 s GLU 54 Ca 0.03 -1.67 -0.23 0.00 -0.15 0.00 0.00 54.97 52.95 1vs7 s GLU 54 Cb 0.02 0.15 -0.18 0.00 -0.44 0.00 0.00 34.13 33.68 1vs7 s GLU 54 CO 0.05 -0.38 0.98 0.28 0.95 0.00 0.00 175.26 177.14 1vs7 h VAL 55 N 2.55 1.12 0.34 1.83 2.07 -1.94 -3.18 116.25 119.05 1vs7 h VAL 55 Ca -0.36 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 65.88 1vs7 h VAL 55 Cb 1.25 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 1vs7 h VAL 55 CO 0.54 0.29 -0.28 1.55 0.02 0.00 0.00 177.57 179.69 1vs7 h PRO 56 N -0.77 -0.61 -0.61 1.57 0.13 -1.98 -2.90 132.00 126.83 1vs7 h PRO 56 Ca -0.01 0.04 0.08 0.00 -0.87 0.00 0.00 66.00 65.24 1vs7 h PRO 56 Cb 0.57 0.14 -0.07 0.00 0.13 0.00 0.00 31.00 31.77 1vs7 h PRO 56 CO 0.02 -0.41 0.26 0.00 -0.23 0.00 0.00 178.00 177.65 1vs7 h ALA 57 N -0.07 0.80 -0.34 -0.56 0.00 -1.97 0.02 119.26 117.15 1vs7 h ALA 57 Ca -0.02 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1vs7 h ALA 57 Cb 0.56 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1vs7 h ALA 57 CO -0.02 -0.14 0.24 0.00 0.00 0.00 0.00 179.25 179.33 1vs7 h ALA 58 N 1.39 2.20 0.00 0.00 0.00 -1.51 -2.05 119.26 119.29 1vs7 h ALA 58 Ca 0.30 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1vs7 h ALA 58 Cb 0.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1vs7 h ALA 58 CO -0.27 -0.29 -0.51 0.82 0.00 0.00 0.00 179.25 179.00 1vs7 h ILE 59 N 0.09 0.47 0.00 0.00 2.04 -1.04 -1.91 117.51 117.17 1vs7 h ILE 59 Ca 0.16 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.54 1vs7 h ILE 59 Cb 0.52 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1vs7 h ILE 59 CO -0.02 0.16 0.40 -0.61 0.00 0.00 0.00 178.15 178.08 1vs7 h GLN 60 N -1.00 0.00 0.00 2.37 5.75 -0.98 0.44 115.11 121.69 1vs7 h GLN 60 Ca -0.09 0.00 -0.33 0.00 -0.15 0.00 0.00 58.65 58.09 1vs7 h GLN 60 Cb 0.66 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.15 1vs7 h GLN 60 CO -0.05 0.00 -2.23 0.36 -2.65 0.00 0.00 178.83 174.26 1vs7 n LYS 61 N -2.54 1.03 -0.01 1.69 2.85 -0.78 -4.30 118.16 116.10 1vs7 n LYS 61 Ca -0.01 0.01 -0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1vs7 n LYS 61 Cb 0.43 -1.45 0.30 0.00 -0.65 0.00 0.00 35.03 33.65 1vs7 n LYS 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1vs7 h ALA 62 N 0.76 1.38 0.00 0.58 0.00 0.66 -1.29 119.26 121.35 1vs7 h ALA 62 Ca -0.48 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 1vs7 h ALA 62 Cb 2.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 1vs7 h ALA 62 CO 0.01 0.44 -0.18 0.52 0.00 0.00 0.00 179.25 180.04 1vs7 h MET 63 N 0.53 0.00 0.89 0.00 2.86 -1.43 -3.16 114.93 114.62 1vs7 h MET 63 Ca 0.12 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1vs7 h MET 63 Cb 0.30 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.97 1vs7 h MET 63 CO 0.01 0.18 -0.43 1.49 1.06 0.00 0.00 176.91 179.22 1vs7 h GLU 64 N 0.00 -1.16 -0.00 1.72 4.81 -1.42 -1.64 114.58 116.90 1vs7 h GLU 64 Ca -0.00 0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1vs7 h GLU 64 Cb 0.66 0.26 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 1vs7 h GLU 64 CO 0.02 -0.77 0.04 0.87 -0.73 0.00 0.00 179.01 178.45 1vs7 h LYS 65 N -1.22 0.00 0.09 1.92 1.57 -1.55 -1.30 116.57 116.08 1vs7 h LYS 65 Ca -0.12 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1vs7 h LYS 65 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1vs7 h LYS 65 CO 0.20 0.00 -0.04 0.00 -0.57 0.00 0.00 179.45 179.04 1vs7 h ALA 66 N 1.92 -0.12 0.80 3.86 0.00 -1.39 -3.34 119.26 121.00 1vs7 h ALA 66 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1vs7 h ALA 66 Cb 0.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1vs7 h ALA 66 CO -0.00 -0.26 -0.46 0.00 0.00 0.00 0.00 179.25 178.53 1vs7 h ARG 67 N -0.73 -1.13 -6.42 0.00 3.08 -0.34 -3.39 114.38 105.46 1vs7 h ARG 67 Ca -0.01 0.08 -0.56 0.00 0.07 0.00 0.00 59.98 59.56 1vs7 h ARG 67 Cb 0.57 0.26 0.03 0.00 0.08 0.00 0.00 29.97 30.91 1vs7 h ARG 67 CO 0.02 -0.75 1.10 0.54 -1.07 0.00 0.00 179.97 179.80 1vs7 n ARG 68 N -5.38 2.58 -2.35 0.04 1.74 -0.64 -3.85 116.66 108.81 1vs7 n ARG 68 Ca -0.14 0.94 -0.01 0.00 -0.77 0.00 0.00 57.85 57.87 1vs7 n ARG 68 Cb 0.48 -2.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.10 1vs7 n ARG 68 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1vs7 n ASN 69 N 6.04 -6.17 0.00 0.55 5.15 -1.26 -4.78 115.26 114.79 1vs7 n ASN 69 Ca 0.19 0.93 0.00 0.00 -0.60 0.00 0.00 54.58 55.11 1vs7 n ASN 69 Cb 0.35 -4.01 0.00 0.00 -0.53 0.00 0.00 39.78 35.59 1vs7 n ASN 69 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1vs7 n MET 70 N 0.40 0.21 -3.65 1.20 2.81 -1.25 -4.70 117.12 112.15 1vs7 n MET 70 Ca 0.01 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.87 1vs7 n MET 70 Cb 0.03 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.48 1vs7 n MET 70 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 1vs7 s ILE 71 N 4.06 0.00 0.01 2.02 2.07 -0.99 -4.89 121.20 123.48 1vs7 s ILE 71 Ca 0.00 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1vs7 s ILE 71 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 1vs7 s ILE 71 CO 0.00 0.00 0.12 0.20 -1.91 0.00 0.00 174.94 173.35 1vs7 s ASN 72 N 0.49 5.89 -0.27 4.50 0.02 -1.22 -1.94 114.94 122.40 1vs7 s ASN 72 Ca 0.01 0.18 -0.25 0.00 -1.02 0.00 0.00 52.86 51.78 1vs7 s ASN 72 Cb -0.04 -1.73 0.08 0.00 0.02 0.00 0.00 41.25 39.57 1vs7 s ASN 72 CO -0.12 0.25 0.75 0.54 0.02 0.00 0.00 177.10 178.54 1vs7 s VAL 73 N -1.28 0.00 0.79 1.60 0.11 -0.75 -4.98 120.40 115.90 1vs7 s VAL 73 Ca 0.26 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.17 1vs7 s VAL 73 Cb -0.12 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.80 1vs7 s VAL 73 CO 0.17 0.00 1.20 0.00 -3.33 0.00 0.00 175.10 173.15 1vs7 s ALA 74 N 0.39 1.89 -0.36 1.54 0.00 -1.26 -4.51 121.76 119.45 1vs7 s ALA 74 Ca 0.00 0.84 0.06 0.00 0.00 0.00 0.00 51.96 52.86 1vs7 s ALA 74 Cb -0.05 -3.49 0.17 0.00 0.00 0.00 0.00 23.12 19.76 1vs7 s ALA 74 CO -0.00 -2.22 0.52 -0.51 0.00 0.00 0.00 175.76 173.55 1vs7 s LEU 75 N -5.62 -1.05 -0.48 0.00 1.43 -1.26 -4.94 118.68 106.75 1vs7 s LEU 75 Ca 0.73 -0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 52.74 1vs7 s LEU 75 Cb -0.29 1.48 -0.10 0.00 0.03 0.00 0.00 46.19 47.31 1vs7 s LEU 75 CO 0.50 -0.24 2.36 -3.20 0.23 0.00 0.00 176.35 176.00 1vs7 n ASN 76 N 4.66 2.08 0.00 2.29 2.85 -0.98 -3.81 115.26 122.35 1vs7 n ASN 76 Ca 0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.56 1vs7 n ASN 76 Cb 0.52 -1.37 0.00 0.00 1.24 0.00 0.00 39.78 40.17 1vs7 n ASN 76 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1vs7 n ASN 77 N 12.49 0.00 -0.03 1.20 2.85 -1.26 -1.70 115.26 128.80 1vs7 n ASN 77 Ca 0.42 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.89 1vs7 n ASN 77 Cb 0.35 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.37 1vs7 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1vs7 n GLY 78 N 0.00 0.47 3.33 8.20 0.00 -1.25 -5.10 105.19 110.84 1vs7 n GLY 78 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1vs7 n GLY 78 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1vs7 s THR 79 N 0.00 0.64 1.40 2.61 -1.32 -0.69 -3.43 115.64 114.84 1vs7 s THR 79 Ca 0.00 -2.00 -0.21 0.00 -1.21 0.00 0.00 61.69 58.27 1vs7 s THR 79 Cb 0.00 -2.66 0.36 0.00 -1.51 0.00 0.00 72.50 68.69 1vs7 s THR 79 CO 0.00 0.00 0.93 -0.76 -2.21 0.00 0.00 174.62 172.58 1vs7 s LEU 80 N -3.34 -0.91 -0.00 9.08 2.01 -1.26 -2.32 118.68 121.94 1vs7 s LEU 80 Ca 0.38 0.99 0.10 0.00 0.01 0.00 0.00 54.13 55.61 1vs7 s LEU 80 Cb 0.08 -2.48 -0.12 0.00 0.01 0.00 0.00 46.19 43.68 1vs7 s LEU 80 CO 0.14 -5.28 0.37 0.00 1.01 0.00 0.00 176.35 172.59 1vs7 n GLN 81 N -5.59 2.97 -3.60 1.70 6.02 -1.26 -4.55 117.38 113.08 1vs7 n GLN 81 Ca 0.11 -0.02 0.02 0.00 -0.01 0.00 0.00 57.00 57.10 1vs7 n GLN 81 Cb 0.59 -1.02 -0.00 0.00 1.02 0.00 0.00 30.24 30.82 1vs7 n GLN 81 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1vs7 s HIS 82 N -2.10 -0.03 -0.45 1.08 -3.43 -1.26 -5.00 115.29 104.10 1vs7 s HIS 82 Ca 0.02 -0.03 -0.27 0.00 -0.80 0.00 0.00 55.06 53.98 1vs7 s HIS 82 Cb 0.07 0.53 -0.06 0.00 -1.43 0.00 0.00 32.58 31.69 1vs7 s HIS 82 CO 0.40 -0.18 2.27 -1.25 -2.00 0.00 0.00 174.74 173.98 1vs7 s PRO 83 N -2.28 2.42 0.27 -0.38 0.04 -1.26 -4.45 135.00 129.36 1vs7 s PRO 83 Ca 0.14 1.41 0.04 0.00 0.04 0.00 0.00 61.00 62.63 1vs7 s PRO 83 Cb 0.06 -4.50 -0.03 0.00 0.04 0.00 0.00 34.50 30.07 1vs7 s PRO 83 CO -0.05 -2.92 0.40 0.14 0.04 0.00 0.00 177.00 174.61 1vs7 s VAL 84 N 10.81 5.20 -0.09 -0.36 -7.23 -0.27 -4.99 120.40 123.48 1vs7 s VAL 84 Ca 0.93 -0.88 -0.04 0.00 -1.81 0.00 0.00 61.98 60.19 1vs7 s VAL 84 Cb -0.20 -3.85 0.05 0.00 0.56 0.00 0.00 36.38 32.94 1vs7 s VAL 84 CO 0.27 -0.38 0.17 -0.75 -0.31 0.00 0.00 175.10 174.11 1vs7 s LYS 85 N -4.06 0.05 0.02 4.82 2.20 -1.26 -1.60 119.74 119.91 1vs7 s LYS 85 Ca 0.35 0.59 -0.01 0.00 -0.36 0.00 0.00 55.97 56.55 1vs7 s LYS 85 Cb -0.09 -0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 35.95 1vs7 s LYS 85 CO 0.31 -0.30 0.13 0.20 -0.36 0.00 0.00 175.35 175.32 1vs7 s GLY 86 N 2.31 2.10 0.00 5.54 0.00 0.99 -4.79 107.32 113.47 1vs7 s GLY 86 Ca 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.89 1vs7 s GLY 86 CO -0.06 -0.77 0.00 1.55 0.00 0.00 0.00 173.10 173.82 1vs7 n VAL 87 N 0.86 0.00 -1.58 1.40 3.14 -1.26 -0.44 118.33 120.46 1vs7 n VAL 87 Ca -0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 1vs7 n VAL 87 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 1vs7 n VAL 87 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 1vs7 n HIS 88 N 0.00 -2.40 -1.12 1.45 -0.00 -1.26 -4.19 115.22 107.70 1vs7 n HIS 88 Ca 0.00 1.43 0.14 0.00 -0.00 0.00 0.00 57.72 59.29 1vs7 n HIS 88 Cb 0.00 -2.90 -0.06 0.00 -0.00 0.00 0.00 29.99 27.03 1vs7 n HIS 88 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1vs7 n THR 89 N 0.91 -0.30 0.00 3.57 -1.04 -1.26 -3.61 114.28 112.55 1vs7 n THR 89 Ca 0.00 0.53 0.00 0.00 -2.04 0.00 0.00 64.05 62.54 1vs7 n THR 89 Cb 0.00 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 1vs7 n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vs7 n GLY 90 N -3.87 -0.25 3.58 3.41 0.00 -1.26 -4.31 105.19 102.50 1vs7 n GLY 90 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1vs7 n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vs7 s SER 91 N -2.48 6.19 -0.08 1.61 0.15 -1.22 -3.20 113.70 114.68 1vs7 s SER 91 Ca 0.00 0.33 -0.03 0.00 0.70 0.00 0.00 55.95 56.95 1vs7 s SER 91 Cb 0.00 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1vs7 s SER 91 CO 0.00 -1.65 0.07 -0.13 1.20 0.00 0.00 173.24 172.73 1vs7 s ARG 92 N 5.38 3.16 0.01 5.44 1.81 -0.92 -4.18 118.95 129.65 1vs7 s ARG 92 Ca 0.52 -0.33 -0.01 0.00 -1.72 0.00 0.00 55.73 54.19 1vs7 s ARG 92 Cb -0.11 -2.94 -0.01 0.00 -0.45 0.00 0.00 34.95 31.44 1vs7 s ARG 92 CO 0.26 0.71 -0.01 0.08 -0.68 0.00 0.00 175.30 175.66 1vs7 s VAL 93 N -1.02 0.08 -0.16 3.52 1.01 0.42 -2.64 120.40 121.60 1vs7 s VAL 93 Ca 0.16 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 1vs7 s VAL 93 Cb -0.12 -0.20 0.06 0.00 0.00 0.00 0.00 36.38 36.12 1vs7 s VAL 93 CO 0.06 -0.35 0.09 0.12 0.00 0.00 0.00 175.10 175.01 1vs7 s PHE 94 N -1.04 0.22 0.07 5.22 2.19 -1.05 -0.00 117.98 123.59 1vs7 s PHE 94 Ca -0.11 -0.31 0.02 0.00 0.33 0.00 0.00 56.93 56.86 1vs7 s PHE 94 Cb -0.07 -0.70 -0.04 0.00 -1.31 0.00 0.00 43.02 40.90 1vs7 s PHE 94 CO -0.01 -0.50 0.12 -1.64 1.83 0.00 0.00 175.22 175.02 1vs7 s MET 95 N 2.13 3.05 -0.09 10.12 -1.94 -0.63 -2.37 119.30 129.57 1vs7 s MET 95 Ca 0.02 -0.62 -0.08 0.00 -1.71 0.00 0.00 55.69 53.31 1vs7 s MET 95 Cb -0.16 -2.82 0.03 0.00 2.01 0.00 0.00 34.83 33.89 1vs7 s MET 95 CO -0.09 0.58 0.23 -1.14 -0.01 0.00 0.00 175.02 174.60 1vs7 s GLN 96 N -2.43 0.26 -0.01 2.03 0.74 0.13 -1.11 119.66 119.26 1vs7 s GLN 96 Ca 0.31 0.36 -0.30 0.00 0.05 0.00 0.00 55.36 55.78 1vs7 s GLN 96 Cb -0.12 0.08 -0.07 0.00 1.10 0.00 0.00 33.01 34.00 1vs7 s GLN 96 CO 0.24 -0.06 1.81 -1.25 -0.55 0.00 0.00 175.29 175.49 1vs7 s PRO 97 N 0.33 4.14 0.53 1.67 0.04 -1.26 -0.57 135.00 139.89 1vs7 s PRO 97 Ca -0.02 2.39 0.08 0.00 0.04 0.00 0.00 61.00 63.49 1vs7 s PRO 97 Cb -0.03 -4.08 0.06 0.00 0.04 0.00 0.00 34.50 30.49 1vs7 s PRO 97 CO -0.01 -0.92 0.73 0.00 0.04 0.00 0.00 177.00 176.83 1vs7 s ALA 98 N 4.32 4.57 0.61 8.56 0.00 -0.87 -4.80 121.76 134.15 1vs7 s ALA 98 Ca 0.81 -1.94 -0.15 0.00 0.00 0.00 0.00 51.96 50.68 1vs7 s ALA 98 Cb -0.38 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 1vs7 s ALA 98 CO 0.35 -0.70 1.06 -1.54 0.00 0.00 0.00 175.76 174.93 1vs7 s SER 99 N -4.56 5.71 0.00 0.00 1.04 -1.26 -4.70 113.70 109.93 1vs7 s SER 99 Ca 0.60 1.80 0.00 0.00 0.48 0.00 0.00 55.95 58.83 1vs7 s SER 99 Cb -0.07 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1vs7 s SER 99 CO 0.37 -1.22 1.00 -0.62 0.98 0.00 0.00 173.24 173.76 1vs7 n GLU 100 N -2.17 0.77 -0.76 4.02 -0.58 -1.26 -2.37 120.64 118.29 1vs7 n GLU 100 Ca 0.09 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.82 1vs7 n GLU 100 Cb 0.53 -1.11 -0.01 0.00 -0.57 0.00 0.00 31.44 30.28 1vs7 n GLU 100 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vs7 n GLY 101 N 0.91 0.75 0.19 0.62 0.00 -1.26 -4.99 105.19 101.41 1vs7 n GLY 101 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1vs7 n GLY 101 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1vs7 n THR 102 N 0.08 0.00 0.00 2.61 -1.04 -1.00 -5.17 114.28 109.77 1vs7 n THR 102 Ca -0.04 0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1vs7 n THR 102 Cb 0.71 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 1vs7 n THR 102 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vs7 n GLY 103 N 3.01 4.03 3.55 3.41 0.00 -1.24 -4.99 105.19 112.95 1vs7 n GLY 103 Ca 0.00 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 1vs7 n GLY 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vs7 s ILE 104 N -2.26 3.25 -0.82 -0.61 -1.16 -1.18 -3.27 121.20 115.14 1vs7 s ILE 104 Ca 0.00 -0.02 -0.16 0.00 -0.51 0.00 0.00 60.65 59.96 1vs7 s ILE 104 Cb 0.00 -3.60 0.18 0.00 0.61 0.00 0.00 42.46 39.64 1vs7 s ILE 104 CO 0.00 -0.58 0.86 -0.63 -2.81 0.00 0.00 174.94 171.78 1vs7 s ILE 105 N 10.96 5.26 0.10 2.00 1.01 -0.66 -4.95 121.20 134.92 1vs7 s ILE 105 Ca 0.79 -2.03 0.02 0.00 0.00 0.00 0.00 60.65 59.42 1vs7 s ILE 105 Cb -0.12 -4.56 -0.04 0.00 0.01 0.00 0.00 42.46 37.75 1vs7 s ILE 105 CO 0.14 -1.17 -0.07 0.00 0.00 0.00 0.00 174.94 173.84 1vs7 s ALA 106 N 1.20 1.00 0.00 9.38 0.00 -1.26 -2.89 121.76 129.18 1vs7 s ALA 106 Ca 0.21 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1vs7 s ALA 106 Cb -0.11 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1vs7 s ALA 106 CO -0.07 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1vs7 n GLY 107 N 0.06 -1.08 0.00 0.00 0.00 -1.26 -4.63 105.19 98.28 1vs7 n GLY 107 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1vs7 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs7 n GLY 108 N 1.50 0.45 0.29 -0.02 0.00 -1.26 -4.46 105.19 101.68 1vs7 n GLY 108 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1vs7 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vs7 h ALA 109 N -2.00 1.06 -0.24 4.61 0.00 -1.95 -0.25 119.26 120.50 1vs7 h ALA 109 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1vs7 h ALA 109 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1vs7 h ALA 109 CO 0.00 0.04 0.48 0.52 0.00 0.00 0.00 179.25 180.29 1vs7 h MET 110 N 0.71 0.00 0.08 0.00 2.07 -1.87 0.49 114.93 116.40 1vs7 h MET 110 Ca 0.36 0.00 -0.11 0.00 -2.07 0.00 0.00 59.70 57.89 1vs7 h MET 110 Cb 0.34 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.08 1vs7 h MET 110 CO -0.24 0.00 -0.48 -0.09 1.07 0.00 0.00 176.91 177.16 1vs7 h ARG 111 N 0.00 0.16 -0.59 1.72 9.65 -1.26 -3.32 114.38 120.75 1vs7 h ARG 111 Ca 0.11 -0.28 0.17 0.00 -1.10 0.00 0.00 59.98 58.88 1vs7 h ARG 111 Cb 1.07 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 1vs7 h ARG 111 CO -0.00 1.13 0.42 0.00 2.80 0.00 0.00 179.97 184.33 1vs7 h ALA 112 N 0.03 2.53 0.00 2.80 0.00 -0.82 -3.04 119.26 120.77 1vs7 h ALA 112 Ca -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1vs7 h ALA 112 Cb 1.36 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1vs7 h ALA 112 CO 0.08 -0.70 -0.19 -0.39 0.00 0.00 0.00 179.25 178.05 1vs7 h VAL 113 N 0.02 0.26 -1.10 0.00 -1.51 -1.67 -3.36 116.25 108.90 1vs7 h VAL 113 Ca 0.28 -1.22 0.31 0.00 -1.23 0.00 0.00 66.70 64.84 1vs7 h VAL 113 Cb 1.10 0.52 -0.05 0.00 -2.13 0.00 0.00 31.29 30.72 1vs7 h VAL 113 CO -0.01 0.09 0.77 -0.07 -1.23 0.00 0.00 177.57 177.12 1vs7 h LEU 114 N -1.00 0.08 0.01 4.19 3.38 -1.65 -0.74 115.31 119.58 1vs7 h LEU 114 Ca -0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vs7 h LEU 114 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1vs7 h LEU 114 CO -0.01 0.01 -0.00 -0.08 0.09 0.00 0.00 178.44 178.45 1vs7 h GLU 115 N 0.07 -0.01 0.00 1.13 4.81 -1.57 0.68 114.58 119.69 1vs7 h GLU 115 Ca 0.54 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.71 1vs7 h GLU 115 Cb 2.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.38 1vs7 h GLU 115 CO -0.06 0.20 -0.30 -0.39 -0.73 0.00 0.00 179.01 177.74 1vs7 h VAL 116 N -0.22 0.56 -0.06 0.32 -1.51 -1.39 -3.15 116.25 110.80 1vs7 h VAL 116 Ca -0.00 -1.60 -0.00 0.00 -1.23 0.00 0.00 66.70 63.87 1vs7 h VAL 116 Cb 0.22 2.13 -0.00 0.00 -2.13 0.00 0.00 31.29 31.50 1vs7 h VAL 116 CO 0.00 0.29 0.00 0.00 -1.23 0.00 0.00 177.57 176.64 1vs7 n ALA 117 N -2.19 2.65 -2.04 5.19 0.00 -0.40 -1.42 120.51 122.29 1vs7 n ALA 117 Ca 0.02 -0.20 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 1vs7 n ALA 117 Cb 0.60 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 1vs7 n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs7 n GLY 118 N 0.07 0.44 3.24 0.00 0.00 -1.19 -4.41 105.19 103.34 1vs7 n GLY 118 Ca 0.03 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1vs7 n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vs7 s VAL 119 N -2.84 3.62 -0.08 1.61 1.01 0.24 -4.73 120.40 119.22 1vs7 s VAL 119 Ca 0.00 -1.27 0.21 0.00 0.00 0.00 0.00 61.98 60.93 1vs7 s VAL 119 Cb 0.00 -3.10 0.43 0.00 0.00 0.00 0.00 36.38 33.72 1vs7 s VAL 119 CO 0.00 -0.22 1.18 0.00 0.00 0.00 0.00 175.10 176.05 1vs7 n HIS 120 N 4.77 0.19 -2.75 5.22 1.44 -1.22 -3.49 115.22 119.37 1vs7 n HIS 120 Ca -0.12 -0.94 -0.09 0.00 -2.01 0.00 0.00 57.72 54.57 1vs7 n HIS 120 Cb 0.44 -0.19 0.06 0.00 0.12 0.00 0.00 29.99 30.42 1vs7 n HIS 120 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1vs7 n ASN 121 N -0.03 -2.71 -3.91 4.39 3.02 -1.26 -3.09 115.26 111.68 1vs7 n ASN 121 Ca 0.11 -3.41 -0.09 0.00 -0.03 0.00 0.00 54.58 51.16 1vs7 n ASN 121 Cb 1.00 1.82 -0.08 0.00 -0.61 0.00 0.00 39.78 41.92 1vs7 n ASN 121 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1vs7 s VAL 122 N 0.55 0.14 -0.08 2.41 -7.23 -1.20 -2.05 120.40 112.94 1vs7 s VAL 122 Ca 0.29 -1.31 0.04 0.00 -1.81 0.00 0.00 61.98 59.20 1vs7 s VAL 122 Cb 0.25 -1.46 -0.00 0.00 0.56 0.00 0.00 36.38 35.72 1vs7 s VAL 122 CO -0.20 -0.63 -0.22 -0.76 -0.31 0.00 0.00 175.10 172.99 1vs7 s LEU 123 N -2.89 2.00 -0.15 1.32 1.43 0.27 -1.65 118.68 119.01 1vs7 s LEU 123 Ca 0.08 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.41 1vs7 s LEU 123 Cb 0.05 -1.26 0.09 0.00 0.03 0.00 0.00 46.19 45.10 1vs7 s LEU 123 CO -0.09 0.17 0.80 0.00 0.23 0.00 0.00 176.35 177.46 1vs7 s ALA 124 N 0.20 -1.83 -0.02 4.21 0.00 -1.14 0.18 121.76 123.35 1vs7 s ALA 124 Ca -0.12 1.60 0.07 0.00 0.00 0.00 0.00 51.96 53.51 1vs7 s ALA 124 Cb -0.16 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 1vs7 s ALA 124 CO 0.06 -0.33 -0.24 -1.59 0.00 0.00 0.00 175.76 173.65 1vs7 s LYS 125 N -0.66 2.02 -0.89 0.00 -2.85 -1.00 -4.53 119.74 111.83 1vs7 s LYS 125 Ca -0.05 -0.87 -0.02 0.00 -1.00 0.00 0.00 55.97 54.03 1vs7 s LYS 125 Cb -0.02 -1.93 0.22 0.00 -2.06 0.00 0.00 37.83 34.05 1vs7 s LYS 125 CO 0.04 0.51 0.78 0.00 0.10 0.00 0.00 175.35 176.79 1vs7 s ALA 126 N -0.53 4.25 0.17 0.59 0.00 -1.26 -2.54 121.76 122.44 1vs7 s ALA 126 Ca 0.08 -3.81 -0.11 0.00 0.00 0.00 0.00 51.96 48.13 1vs7 s ALA 126 Cb -0.10 -2.87 -0.07 0.00 0.00 0.00 0.00 23.12 20.08 1vs7 s ALA 126 CO -0.01 -2.15 0.51 1.52 0.00 0.00 0.00 175.76 175.63 1vs7 s TYR 127 N -1.27 3.51 0.00 0.00 1.13 -1.08 -4.66 117.35 114.98 1vs7 s TYR 127 Ca 0.27 0.89 0.00 0.00 -1.41 0.00 0.00 57.07 56.82 1vs7 s TYR 127 Cb -0.08 -2.25 0.00 0.00 -1.10 0.00 0.00 41.96 38.53 1vs7 s TYR 127 CO -0.12 0.37 0.00 0.41 -2.51 0.00 0.00 175.55 173.70 1vs7 n GLY 128 N 0.32 -2.02 3.68 5.49 0.00 -1.26 -2.16 105.19 109.24 1vs7 n GLY 128 Ca -0.03 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 1vs7 n GLY 128 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1vs7 n SER 129 N 0.00 -4.35 -3.47 1.61 2.88 -1.19 -2.38 113.62 106.72 1vs7 n SER 129 Ca 0.00 -0.88 -0.37 0.00 -1.33 0.00 0.00 58.87 56.29 1vs7 n SER 129 Cb 0.00 -1.44 -0.02 0.00 -0.75 0.00 0.00 64.21 62.00 1vs7 n SER 129 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1vs7 n THR 130 N -2.40 3.13 -3.32 2.46 -1.04 -1.26 -3.80 114.28 108.05 1vs7 n THR 130 Ca -0.29 -2.25 -0.39 0.00 -2.04 0.00 0.00 64.05 59.07 1vs7 n THR 130 Cb 0.63 -2.45 -0.07 0.00 -1.82 0.00 0.00 70.33 66.62 1vs7 n THR 130 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1vs7 s ASN 131 N 3.34 6.45 0.45 8.00 2.47 -1.26 -4.94 114.94 129.46 1vs7 s ASN 131 Ca 0.54 0.54 0.25 0.00 0.42 0.00 0.00 52.86 54.60 1vs7 s ASN 131 Cb 0.14 -2.26 1.26 0.00 -1.45 0.00 0.00 41.25 38.95 1vs7 s ASN 131 CO -0.03 -0.16 1.80 1.55 -3.72 0.00 0.00 177.10 176.55 1vs7 h PRO 132 N 7.60 0.24 -0.11 0.43 0.13 -1.98 1.46 132.00 139.77 1vs7 h PRO 132 Ca -0.34 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.66 1vs7 h PRO 132 Cb 1.16 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1vs7 h PRO 132 CO 0.71 0.16 -0.48 0.82 -0.23 0.00 0.00 178.00 178.98 1vs7 h ILE 133 N 0.25 1.34 0.00 -3.56 2.04 -1.98 -3.28 117.51 112.31 1vs7 h ILE 133 Ca 0.56 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.72 1vs7 h ILE 133 Cb 1.71 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.58 1vs7 h ILE 133 CO -0.18 0.51 -1.17 0.59 0.00 0.00 0.00 178.15 177.90 1vs7 n ASN 134 N -3.97 1.19 0.23 1.72 3.02 0.21 -4.22 115.26 113.43 1vs7 n ASN 134 Ca -0.02 -0.41 -0.15 0.00 -0.03 0.00 0.00 54.58 53.97 1vs7 n ASN 134 Cb 0.54 1.33 -0.08 0.00 -0.61 0.00 0.00 39.78 40.96 1vs7 n ASN 134 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1vs7 h VAL 135 N 0.00 0.58 -0.08 2.41 2.07 0.18 0.52 116.25 121.93 1vs7 h VAL 135 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1vs7 h VAL 135 Cb 0.50 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1vs7 h VAL 135 CO 0.00 0.00 0.04 -0.37 0.02 0.00 0.00 177.57 177.26 1vs7 h VAL 136 N -0.54 1.13 -0.67 2.57 -1.51 -1.80 0.13 116.25 115.55 1vs7 h VAL 136 Ca -0.05 -0.38 0.14 0.00 -1.23 0.00 0.00 66.70 65.19 1vs7 h VAL 136 Cb 0.43 1.23 -0.10 0.00 -2.13 0.00 0.00 31.29 30.72 1vs7 h VAL 136 CO 0.07 0.11 0.11 -0.09 -1.23 0.00 0.00 177.57 176.53 1vs7 h ARG 137 N -0.01 0.21 -0.57 5.19 9.65 -1.69 0.62 114.38 127.77 1vs7 h ARG 137 Ca 0.03 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.83 1vs7 h ARG 137 Cb 0.15 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.66 1vs7 h ARG 137 CO -0.00 0.14 0.10 0.00 2.80 0.00 0.00 179.97 183.00 1vs7 h ALA 138 N 1.57 0.75 -0.22 2.80 0.00 0.43 -0.87 119.26 123.72 1vs7 h ALA 138 Ca 0.37 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1vs7 h ALA 138 Cb 0.61 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1vs7 h ALA 138 CO -0.50 0.50 0.03 1.15 0.00 0.00 0.00 179.25 180.42 1vs7 h THR 139 N 0.83 1.23 0.16 0.00 2.02 0.17 -2.76 112.91 114.57 1vs7 h THR 139 Ca 0.17 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 1vs7 h THR 139 Cb 0.41 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1vs7 h THR 139 CO 0.01 0.25 -0.08 0.40 0.37 0.00 0.00 175.52 176.47 1vs7 h ILE 140 N 0.17 0.97 0.00 3.11 2.04 0.16 0.52 117.51 124.49 1vs7 h ILE 140 Ca 0.07 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1vs7 h ILE 140 Cb 0.34 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1vs7 h ILE 140 CO 0.01 0.16 0.00 0.47 0.00 0.00 0.00 178.15 178.78 1vs7 n ASP 141 N -5.03 0.00 -0.00 1.72 9.92 -0.34 -0.92 116.55 121.90 1vs7 n ASP 141 Ca -0.09 0.39 0.02 0.00 -0.53 0.00 0.00 54.79 54.58 1vs7 n ASP 141 Cb 0.22 -0.40 -0.02 0.00 -0.64 0.00 0.00 41.12 40.29 1vs7 n ASP 141 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vs7 n GLY 142 N -1.33 0.49 1.00 0.44 0.00 -1.01 -4.47 105.19 100.31 1vs7 n GLY 142 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 45.96 1vs7 n GLY 142 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1vs7 n LEU 143 N -1.20 2.76 0.00 0.99 7.94 0.18 -3.59 117.00 124.08 1vs7 n LEU 143 Ca 0.00 -1.40 0.00 0.00 -1.11 0.00 0.00 56.01 53.51 1vs7 n LEU 143 Cb 0.06 -0.53 0.00 0.00 0.53 0.00 0.00 43.42 43.48 1vs7 n LEU 143 CO 0.07 0.40 -0.01 -1.84 -1.11 0.00 0.00 177.39 174.90 1vs7 n GLU 144 N 0.27 1.80 0.33 1.96 0.00 -1.23 -4.80 120.64 118.96 1vs7 n GLU 144 Ca 0.11 0.00 0.22 0.00 0.00 0.00 0.00 57.16 57.49 1vs7 n GLU 144 Cb 0.59 -0.16 1.12 0.00 0.00 0.00 0.00 31.44 32.99 1vs7 n GLU 144 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1vs7 h ASN 145 N 0.00 0.00 0.00 -1.84 2.35 -1.78 -3.42 115.58 110.89 1vs7 h ASN 145 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1vs7 h ASN 145 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1vs7 h ASN 145 CO 0.00 0.00 0.00 1.15 -1.65 0.00 0.00 177.43 176.93 1vs7 n MET 146 N -3.07 1.37 -3.62 0.81 0.00 -1.26 -5.11 117.12 106.24 1vs7 n MET 146 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.63 1vs7 n MET 146 Cb 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.29 1vs7 n MET 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1vs7 s ASN 147 N -1.43 -0.14 0.94 3.17 2.20 -1.26 -5.07 114.94 113.35 1vs7 s ASN 147 Ca 0.00 0.15 -0.11 0.00 -0.94 0.00 0.00 52.86 51.96 1vs7 s ASN 147 Cb 0.00 0.12 0.16 0.00 -2.00 0.00 0.00 41.25 39.52 1vs7 s ASN 147 CO 0.00 -0.13 1.10 -0.94 -2.94 0.00 0.00 177.10 174.19 1vs7 s SER 148 N -1.07 2.86 0.27 3.54 1.04 -1.26 -4.90 113.70 114.18 1vs7 s SER 148 Ca 0.06 1.86 -0.01 0.00 0.48 0.00 0.00 55.95 58.34 1vs7 s SER 148 Cb -0.01 -2.43 0.36 0.00 0.10 0.00 0.00 66.02 64.04 1vs7 s SER 148 CO -0.05 -3.08 1.77 1.55 0.98 0.00 0.00 173.24 174.41 1vs7 h PRO 149 N -1.85 0.77 0.00 4.02 0.13 -2.01 -2.36 132.00 130.70 1vs7 h PRO 149 Ca -0.48 -0.20 -0.13 0.00 -0.87 0.00 0.00 66.00 64.32 1vs7 h PRO 149 Cb 1.28 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1vs7 h PRO 149 CO 0.47 0.78 -0.60 1.05 -0.23 0.00 0.00 178.00 179.47 1vs7 h GLU 150 N 0.72 0.00 -0.37 0.86 9.09 -1.99 -2.89 114.58 120.01 1vs7 h GLU 150 Ca 0.14 0.00 0.07 0.00 0.05 0.00 0.00 59.36 59.63 1vs7 h GLU 150 Cb 0.43 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.47 1vs7 h GLU 150 CO 0.02 0.60 -0.06 0.52 0.05 0.00 0.00 179.01 180.14 1vs7 h MET 151 N 0.00 0.04 0.03 1.06 2.86 -1.77 0.22 114.93 117.37 1vs7 h MET 151 Ca -0.01 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1vs7 h MET 151 Cb 1.15 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.80 1vs7 h MET 151 CO 0.08 0.02 -0.02 0.28 1.06 0.00 0.00 176.91 178.34 1vs7 h VAL 152 N 0.04 1.13 -0.93 -2.22 2.07 -1.48 -2.75 116.25 112.11 1vs7 h VAL 152 Ca 0.18 -0.50 0.21 0.00 0.82 0.00 0.00 66.70 67.41 1vs7 h VAL 152 Cb 0.27 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 1vs7 h VAL 152 CO -0.35 0.13 0.61 0.00 0.02 0.00 0.00 177.57 177.98 1vs7 h ALA 153 N 0.69 2.18 -0.20 1.67 0.00 -1.17 0.10 119.26 122.53 1vs7 h ALA 153 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1vs7 h ALA 153 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1vs7 h ALA 153 CO 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 178.77 1vs7 n ALA 154 N -2.50 -0.39 -0.16 0.00 0.00 0.71 -3.74 120.51 114.42 1vs7 n ALA 154 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.54 1vs7 n ALA 154 Cb 0.71 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.10 1vs7 n ALA 154 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1vs7 h LYS 155 N 0.00 -0.30 -6.04 0.00 1.57 -1.27 -3.40 116.57 107.14 1vs7 h LYS 155 Ca 0.00 0.02 -0.72 0.00 -1.87 0.00 0.00 60.65 58.08 1vs7 h LYS 155 Cb 0.00 0.07 0.08 0.00 0.08 0.00 0.00 32.23 32.46 1vs7 h LYS 155 CO 0.00 -0.20 -0.18 0.54 -0.57 0.00 0.00 179.45 179.05 1vs7 n ARG 156 N -5.40 0.12 0.00 3.15 5.12 0.34 -2.63 116.66 117.36 1vs7 n ARG 156 Ca -0.01 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 1vs7 n ARG 156 Cb 0.35 -1.33 0.00 0.00 -1.16 0.00 0.00 32.46 30.32 1vs7 n ARG 156 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vs7 n GLY 157 N 1.77 1.86 3.85 -0.13 0.00 -1.26 -4.91 105.19 106.36 1vs7 n GLY 157 Ca 0.19 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1vs7 n GLY 157 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49