#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgv s SER 2 N 0.00 -0.22 -0.22 1.61 0.15 -1.26 -5.12 113.70 108.64 1wgv s SER 2 Ca 0.00 0.19 -0.01 0.00 0.70 0.00 0.00 55.95 56.84 1wgv s SER 2 Cb 0.00 1.41 0.06 0.00 -1.71 0.00 0.00 66.02 65.78 1wgv s SER 2 CO 0.00 -0.31 -0.02 -0.44 1.20 0.00 0.00 173.24 173.67 1wgv s SER 3 N 2.64 3.46 0.27 5.45 0.01 -1.26 -5.11 113.70 119.16 1wgv s SER 3 Ca 0.13 -1.02 -0.08 0.00 1.31 0.00 0.00 55.95 56.29 1wgv s SER 3 Cb -0.14 -0.95 -0.01 0.00 0.21 0.00 0.00 66.02 65.14 1wgv s SER 3 CO -0.22 -0.26 0.44 -0.83 0.41 0.00 0.00 173.24 172.78 1wgv s GLY 4 N 1.58 0.94 0.16 3.44 0.00 -1.26 -5.16 107.32 107.02 1wgv s GLY 4 Ca -0.04 -1.18 -0.17 0.00 0.00 0.00 0.00 44.72 43.33 1wgv s GLY 4 CO -0.07 -0.84 0.61 -0.56 0.00 0.00 0.00 173.10 172.25 1wgv s SER 5 N -3.11 6.96 -0.55 1.64 0.01 -1.26 -5.03 113.70 112.37 1wgv s SER 5 Ca 0.27 1.24 -0.21 0.00 1.31 0.00 0.00 55.95 58.56 1wgv s SER 5 Cb 0.00 -2.35 0.06 0.00 0.21 0.00 0.00 66.02 63.94 1wgv s SER 5 CO 0.13 0.12 0.77 -0.44 0.41 0.00 0.00 173.24 174.23 1wgv s SER 6 N -1.55 6.24 0.00 2.44 0.01 -1.26 -4.70 113.70 114.88 1wgv s SER 6 Ca 0.37 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1wgv s SER 6 Cb -0.17 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1wgv s SER 6 CO 0.20 -1.10 0.00 0.61 0.41 0.00 0.00 173.24 173.36 1wgv n GLY 7 N 5.20 -1.38 2.93 3.44 0.00 -1.26 -4.63 105.19 109.49 1wgv n GLY 7 Ca -0.04 0.73 -0.00 0.00 0.00 0.00 0.00 46.02 46.70 1wgv n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wgv n GLN 8 N 0.00 -2.09 0.09 1.61 -0.06 -1.26 -4.98 117.38 110.68 1wgv n GLN 8 Ca 0.00 1.91 0.00 0.00 -2.00 0.00 0.00 57.00 56.91 1wgv n GLN 8 Cb 0.00 -3.38 0.00 0.00 -4.06 0.00 0.00 30.24 22.80 1wgv n GLN 8 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1wgv n LYS 9 N 1.02 0.00 -4.43 3.69 5.02 -1.26 -5.11 118.16 117.09 1wgv n LYS 9 Ca -0.01 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.93 1wgv n LYS 9 Cb 0.23 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.14 1wgv n LYS 9 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1wgv s ASN 10 N -3.16 5.05 1.09 4.39 3.04 -1.26 -5.12 114.94 118.98 1wgv s ASN 10 Ca 0.00 0.07 -0.18 0.00 0.04 0.00 0.00 52.86 52.79 1wgv s ASN 10 Cb 0.00 -1.44 0.25 0.00 -1.54 0.00 0.00 41.25 38.52 1wgv s ASN 10 CO 0.00 0.35 1.22 -2.16 -3.04 0.00 0.00 177.10 173.47 1wgv s PRO 11 N -0.71 -0.38 -1.21 0.43 0.04 -1.26 -4.95 135.00 126.96 1wgv s PRO 11 Ca 0.11 -0.28 -0.12 0.00 0.04 0.00 0.00 61.00 60.75 1wgv s PRO 11 Cb -0.12 -1.71 0.18 0.00 0.04 0.00 0.00 34.50 32.89 1wgv s PRO 11 CO 0.02 -3.12 1.47 -0.25 0.04 0.00 0.00 177.00 175.17 1wgv n ASP 12 N -4.29 5.26 0.00 6.66 8.00 -1.26 -4.79 116.55 126.13 1wgv n ASP 12 Ca 0.15 -3.01 0.00 0.00 0.71 0.00 0.00 54.79 52.63 1wgv n ASP 12 Cb 0.59 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 1wgv n ASP 12 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1wgv n SER 13 N 4.99 0.00 -3.23 -2.24 2.88 -1.26 -4.88 113.62 109.88 1wgv n SER 13 Ca 0.36 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.78 1wgv n SER 13 Cb 0.41 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1wgv n SER 13 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1wgv n TYR 14 N 0.00 -0.92 -1.79 0.66 4.01 -1.26 -5.09 117.16 112.77 1wgv n TYR 14 Ca 0.00 -1.03 -0.33 0.00 -0.16 0.00 0.00 57.90 56.38 1wgv n TYR 14 Cb 0.00 -0.19 0.04 0.00 -0.31 0.00 0.00 39.34 38.88 1wgv n TYR 14 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1wgv s ASN 15 N -2.39 5.20 0.00 7.72 -0.87 -1.26 -3.88 114.94 119.46 1wgv s ASN 15 Ca 0.12 1.97 0.00 0.00 -1.57 0.00 0.00 52.86 53.38 1wgv s ASN 15 Cb -0.01 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 1wgv s ASN 15 CO 0.08 -1.57 0.00 0.61 -2.57 0.00 0.00 177.10 173.65 1wgv n GLY 16 N -0.61 0.83 3.14 0.66 0.00 -1.26 -4.84 105.19 103.11 1wgv n GLY 16 Ca 0.10 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1wgv n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgv n ALA 17 N 0.00 -3.50 -0.45 4.61 0.00 -1.25 -4.77 120.51 115.15 1wgv n ALA 17 Ca 0.00 -1.63 0.05 0.00 0.00 0.00 0.00 53.44 51.85 1wgv n ALA 17 Cb 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 1wgv n ALA 17 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1wgv n VAL 18 N -5.37 0.00 -2.38 0.00 0.24 -1.26 -4.76 118.33 104.81 1wgv n VAL 18 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 1wgv n VAL 18 Cb 0.50 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 1wgv n VAL 18 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1wgv n ARG 19 N -1.44 -1.60 0.07 7.34 0.63 -1.25 -5.02 116.66 115.38 1wgv n ARG 19 Ca 0.00 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.71 1wgv n ARG 19 Cb 0.16 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 32.92 1wgv n ARG 19 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1wgv h GLU 20 N 0.00 0.38 -0.11 -0.14 4.39 -2.00 -3.37 114.58 113.72 1wgv h GLU 20 Ca 0.00 -0.65 0.02 0.00 0.34 0.00 0.00 59.36 59.08 1wgv h GLU 20 Cb 0.00 0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 1wgv h GLU 20 CO 0.00 1.31 -0.42 -0.97 -1.16 0.00 0.00 179.01 177.77 1wgv h ASN 21 N -0.06 -1.33 -3.53 1.42 -1.24 -1.96 -3.44 115.58 105.44 1wgv h ASN 21 Ca -0.29 0.16 -0.05 0.00 0.71 0.00 0.00 56.30 56.83 1wgv h ASN 21 Cb 1.97 0.52 -0.23 0.00 0.73 0.00 0.00 38.32 41.31 1wgv h ASN 21 CO 0.17 -0.37 -0.05 -0.72 -1.29 0.00 0.00 177.43 175.17 1wgv s TYR 22 N -5.06 -0.78 0.48 0.67 -0.85 -1.26 -4.67 117.35 105.88 1wgv s TYR 22 Ca -0.12 1.72 -0.06 0.00 -0.52 0.00 0.00 57.07 58.09 1wgv s TYR 22 Cb 0.05 0.36 -0.04 0.00 0.38 0.00 0.00 41.96 42.71 1wgv s TYR 22 CO 0.47 -0.39 0.80 0.99 -1.52 0.00 0.00 175.55 175.90 1wgv s THR 23 N 0.92 4.88 0.12 -3.49 2.01 -0.88 -3.94 115.64 115.25 1wgv s THR 23 Ca -0.05 0.31 -0.25 0.00 0.31 0.00 0.00 61.69 62.01 1wgv s THR 23 Cb -0.05 -3.85 0.08 0.00 0.01 0.00 0.00 72.50 68.69 1wgv s THR 23 CO -0.08 -0.83 0.72 -1.66 -0.69 0.00 0.00 174.62 172.08 1wgv s TRP 24 N -2.72 -0.43 0.32 4.92 1.48 -1.26 -1.67 118.94 119.59 1wgv s TRP 24 Ca 0.48 0.22 -0.10 0.00 -1.06 0.00 0.00 56.10 55.64 1wgv s TRP 24 Cb -0.10 0.57 0.02 0.00 -1.16 0.00 0.00 33.47 32.79 1wgv s TRP 24 CO 0.44 -0.78 0.57 -1.12 -4.06 0.00 0.00 176.95 172.00 1wgv s SER 25 N -2.69 0.32 -0.21 -2.66 0.01 -1.01 -4.61 113.70 102.84 1wgv s SER 25 Ca 0.04 -1.19 -0.04 0.00 1.31 0.00 0.00 55.95 56.07 1wgv s SER 25 Cb -0.01 0.70 0.09 0.00 0.21 0.00 0.00 66.02 67.00 1wgv s SER 25 CO -0.09 -1.36 0.20 0.00 0.41 0.00 0.00 173.24 172.39 1wgv s GLN 26 N -3.18 0.18 0.01 12.44 1.03 -1.26 -3.23 119.66 125.65 1wgv s GLN 26 Ca 0.23 0.05 0.03 0.00 0.04 0.00 0.00 55.36 55.71 1wgv s GLN 26 Cb -0.02 -1.27 -0.01 0.00 0.03 0.00 0.00 33.01 31.74 1wgv s GLN 26 CO 0.14 -0.73 -0.10 0.16 -2.54 0.00 0.00 175.29 172.22 1wgv s ASP 27 N 2.27 1.12 0.00 12.60 1.47 -1.24 -4.95 116.67 127.95 1wgv s ASP 27 Ca 0.06 -0.28 0.00 0.00 1.18 0.00 0.00 52.55 53.51 1wgv s ASP 27 Cb -0.16 -0.09 0.00 0.00 -0.34 0.00 0.00 42.92 42.34 1wgv s ASP 27 CO -0.16 0.04 0.00 -1.22 0.68 0.00 0.00 175.17 174.51 1wgv n TYR 28 N 2.44 0.00 -2.66 2.11 4.01 -1.26 -2.19 117.16 119.60 1wgv n TYR 28 Ca -0.16 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.55 1wgv n TYR 28 Cb 0.56 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.63 1wgv n TYR 28 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1wgv n THR 29 N 0.00 0.00 -3.99 -0.72 5.66 -1.26 -5.14 114.28 108.83 1wgv n THR 29 Ca 0.00 -0.69 -0.11 0.00 -3.05 0.00 0.00 64.05 60.21 1wgv n THR 29 Cb 0.00 0.79 -0.03 0.00 -1.55 0.00 0.00 70.33 69.54 1wgv n THR 29 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1wgv s ASP 30 N -0.23 0.26 -0.15 1.09 1.47 -0.93 -4.41 116.67 113.76 1wgv s ASP 30 Ca 0.11 -1.14 -0.01 0.00 1.18 0.00 0.00 52.55 52.68 1wgv s ASP 30 Cb 0.16 0.67 0.04 0.00 -0.34 0.00 0.00 42.92 43.46 1wgv s ASP 30 CO -0.09 -1.31 -0.02 -0.76 0.68 0.00 0.00 175.17 173.68 1wgv s LEU 31 N -3.10 1.23 -0.42 2.11 1.02 -1.14 -3.60 118.68 114.78 1wgv s LEU 31 Ca 0.23 -0.55 -0.06 0.00 0.02 0.00 0.00 54.13 53.77 1wgv s LEU 31 Cb -0.02 -0.71 0.10 0.00 0.02 0.00 0.00 46.19 45.58 1wgv s LEU 31 CO 0.13 -0.22 0.25 -1.61 0.02 0.00 0.00 176.35 174.92 1wgv s GLU 32 N 1.78 2.33 -0.27 1.70 2.02 -1.20 -2.51 118.70 122.56 1wgv s GLU 32 Ca 0.01 -1.67 -0.06 0.00 0.02 0.00 0.00 54.97 53.27 1wgv s GLU 32 Cb -0.15 -3.71 0.00 0.00 0.10 0.00 0.00 34.13 30.37 1wgv s GLU 32 CO -0.07 -1.05 0.05 0.54 0.02 0.00 0.00 175.26 174.75 1wgv s VAL 33 N 1.29 3.83 -0.16 2.63 0.11 -1.19 -2.41 120.40 124.50 1wgv s VAL 33 Ca 0.05 -0.62 -0.05 0.00 -2.93 0.00 0.00 61.98 58.43 1wgv s VAL 33 Cb -0.24 -2.91 -0.03 0.00 -1.53 0.00 0.00 36.38 31.66 1wgv s VAL 33 CO -0.01 0.18 0.01 -0.13 -3.33 0.00 0.00 175.10 171.81 1wgv s ARG 34 N 1.50 3.73 -0.12 1.54 0.52 -0.67 -3.08 118.95 122.37 1wgv s ARG 34 Ca 0.03 -0.43 -0.00 0.00 -0.52 0.00 0.00 55.73 54.81 1wgv s ARG 34 Cb -0.16 -3.03 -0.02 0.00 0.52 0.00 0.00 34.95 32.26 1wgv s ARG 34 CO 0.01 0.31 -0.12 0.08 0.02 0.00 0.00 175.30 175.60 1wgv s VAL 35 N 0.22 3.20 0.33 3.52 1.01 -0.58 -2.08 120.40 126.03 1wgv s VAL 35 Ca 0.01 -0.62 -0.27 0.00 0.00 0.00 0.00 61.98 61.10 1wgv s VAL 35 Cb -0.13 -2.34 -0.09 0.00 0.00 0.00 0.00 36.38 33.81 1wgv s VAL 35 CO 0.02 0.53 1.07 -2.16 0.00 0.00 0.00 175.10 174.55 1wgv s PRO 36 N 0.18 4.44 0.18 2.72 0.04 -1.26 0.20 135.00 141.49 1wgv s PRO 36 Ca -0.06 1.66 0.07 0.00 0.04 0.00 0.00 61.00 62.70 1wgv s PRO 36 Cb -0.15 -2.91 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 1wgv s PRO 36 CO 0.05 0.07 -0.14 0.14 0.04 0.00 0.00 177.00 177.16 1wgv s VAL 37 N -1.38 1.59 1.07 -0.36 -7.23 -1.01 -4.83 120.40 108.25 1wgv s VAL 37 Ca 0.50 -2.08 -0.17 0.00 -1.81 0.00 0.00 61.98 58.42 1wgv s VAL 37 Cb -0.27 -1.91 0.23 0.00 0.56 0.00 0.00 36.38 34.99 1wgv s VAL 37 CO 0.35 -0.56 1.21 -2.16 -0.31 0.00 0.00 175.10 173.62 1wgv s PRO 38 N -3.42 -0.16 -0.02 4.82 0.04 -1.26 -4.42 135.00 130.58 1wgv s PRO 38 Ca 0.19 -0.20 0.06 0.00 0.04 0.00 0.00 61.00 61.09 1wgv s PRO 38 Cb -0.01 -1.73 0.21 0.00 0.04 0.00 0.00 34.50 33.01 1wgv s PRO 38 CO 0.05 -2.98 1.10 1.63 0.04 0.00 0.00 177.00 176.83 1wgv n LYS 39 N -4.22 1.70 0.00 4.56 4.76 -1.26 -2.92 118.16 120.79 1wgv n LYS 39 Ca 0.14 -0.86 0.04 0.00 -2.87 0.00 0.00 58.31 54.75 1wgv n LYS 39 Cb 0.59 -1.32 0.01 0.00 -1.84 0.00 0.00 35.03 32.47 1wgv n LYS 39 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1wgv n HIS 40 N 0.17 0.00 -3.56 2.13 1.44 -1.26 -4.81 115.22 109.32 1wgv n HIS 40 Ca 0.08 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.38 1wgv n HIS 40 Cb 0.28 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.28 1wgv n HIS 40 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1wgv s VAL 41 N -1.00 4.76 0.00 0.61 1.01 -1.15 -4.82 120.40 119.82 1wgv s VAL 41 Ca 0.07 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1wgv s VAL 41 Cb 0.06 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1wgv s VAL 41 CO 0.16 -0.24 0.00 1.33 0.00 0.00 0.00 175.10 176.35 1wgv n VAL 42 N 5.04 0.00 -2.77 2.92 0.24 -1.26 -1.84 118.33 120.67 1wgv n VAL 42 Ca -0.12 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.83 1wgv n VAL 42 Cb 0.46 -0.36 -0.06 0.00 -1.47 0.00 0.00 33.84 32.41 1wgv n VAL 42 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1wgv s LYS 43 N -1.58 4.36 0.30 7.34 1.02 -1.26 -4.32 119.74 125.60 1wgv s LYS 43 Ca 0.00 1.26 0.26 0.00 0.02 0.00 0.00 55.97 57.51 1wgv s LYS 43 Cb 0.00 -2.48 0.83 0.00 -0.52 0.00 0.00 37.83 35.66 1wgv s LYS 43 CO 0.00 0.08 1.75 0.78 -0.92 0.00 0.00 175.35 177.04 1wgv h GLY 44 N 2.50 0.00 2.00 -3.33 0.00 -1.93 -2.70 103.07 99.61 1wgv h GLY 44 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1wgv h GLY 44 CO 0.63 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.75 1wgv n LYS 45 N -2.49 0.20 0.12 4.80 2.85 -1.26 -2.53 118.16 119.85 1wgv n LYS 45 Ca 0.04 0.22 0.13 0.00 -1.05 0.00 0.00 58.31 57.64 1wgv n LYS 45 Cb 0.38 -1.75 0.34 0.00 -0.65 0.00 0.00 35.03 33.35 1wgv n LYS 45 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1wgv h GLN 46 N 0.00 0.00 -6.11 -1.58 4.20 -1.87 -3.45 115.11 106.30 1wgv h GLN 46 Ca 0.00 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.11 1wgv h GLN 46 Cb 0.61 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 28.12 1wgv h GLN 46 CO 0.00 0.00 -0.85 0.14 -0.67 0.00 0.00 178.83 177.45 1wgv s VAL 47 N -3.13 1.69 -0.11 -0.54 -7.23 -1.05 0.20 120.40 110.23 1wgv s VAL 47 Ca 0.10 -1.12 -0.04 0.00 -1.81 0.00 0.00 61.98 59.11 1wgv s VAL 47 Cb 0.11 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.57 1wgv s VAL 47 CO 0.62 0.29 0.03 -0.44 -0.31 0.00 0.00 175.10 175.29 1wgv s SER 48 N -0.98 5.44 -0.26 4.85 0.01 0.17 -4.90 113.70 118.02 1wgv s SER 48 Ca 0.08 0.16 -0.02 0.00 1.31 0.00 0.00 55.95 57.48 1wgv s SER 48 Cb -0.09 -1.67 0.08 0.00 0.21 0.00 0.00 66.02 64.56 1wgv s SER 48 CO 0.01 0.33 0.07 -0.69 0.41 0.00 0.00 173.24 173.38 1wgv s VAL 49 N -0.61 0.63 -0.32 3.43 1.01 -1.25 -2.38 120.40 120.91 1wgv s VAL 49 Ca 0.10 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1wgv s VAL 49 Cb -0.12 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.94 1wgv s VAL 49 CO 0.02 -0.50 0.10 0.00 0.00 0.00 0.00 175.10 174.73 1wgv s ALA 50 N 1.77 3.09 -0.09 5.51 0.00 -1.14 -4.95 121.76 125.95 1wgv s ALA 50 Ca 0.05 -1.58 0.01 0.00 0.00 0.00 0.00 51.96 50.44 1wgv s ALA 50 Cb -0.17 -2.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 1wgv s ALA 50 CO -0.20 -1.12 -0.10 -0.51 0.00 0.00 0.00 175.76 173.83 1wgv s LEU 51 N 1.47 2.94 0.00 0.00 1.43 -1.26 -1.96 118.68 121.30 1wgv s LEU 51 Ca 0.01 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1wgv s LEU 51 Cb -0.18 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1wgv s LEU 51 CO 0.03 0.29 0.00 -1.20 0.23 0.00 0.00 176.35 175.70 1wgv n SER 52 N 2.69 0.00 0.00 2.29 7.64 -1.25 -5.03 113.62 119.96 1wgv n SER 52 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1wgv n SER 52 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1wgv n SER 52 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wgv n SER 53 N -2.49 0.00 -0.84 6.43 3.41 -1.26 -4.52 113.62 114.35 1wgv n SER 53 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1wgv n SER 53 Cb 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.13 1wgv n SER 53 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wgv n SER 54 N 0.00 2.23 -3.48 4.04 3.41 -1.26 0.06 113.62 118.62 1wgv n SER 54 Ca 0.00 -3.88 -0.06 0.00 -0.26 0.00 0.00 58.87 54.66 1wgv n SER 54 Cb 0.00 -0.51 -0.00 0.00 -0.26 0.00 0.00 64.21 63.44 1wgv n SER 54 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wgv s SER 55 N -3.26 -0.13 -0.01 4.04 0.15 -1.26 0.16 113.70 113.38 1wgv s SER 55 Ca 0.40 -0.76 -0.28 0.00 0.70 0.00 0.00 55.95 56.01 1wgv s SER 55 Cb 0.38 0.70 0.10 0.00 -1.71 0.00 0.00 66.02 65.49 1wgv s SER 55 CO -0.05 -1.34 0.82 -0.51 1.20 0.00 0.00 173.24 173.36 1wgv s ILE 56 N -3.09 0.00 -0.02 6.45 -1.16 -1.20 -3.94 121.20 118.24 1wgv s ILE 56 Ca 0.14 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.28 1wgv s ILE 56 Cb -0.05 -1.00 0.03 0.00 0.61 0.00 0.00 42.46 42.05 1wgv s ILE 56 CO 0.07 0.00 0.01 -0.60 -2.81 0.00 0.00 174.94 171.61 1wgv s ARG 57 N -2.54 0.18 -0.32 3.50 3.52 -0.83 -2.94 118.95 119.53 1wgv s ARG 57 Ca 0.00 0.10 -0.02 0.00 -0.13 0.00 0.00 55.73 55.69 1wgv s ARG 57 Cb -0.01 -0.39 0.11 0.00 -1.56 0.00 0.00 34.95 33.11 1wgv s ARG 57 CO -0.05 -0.13 0.14 0.08 -0.81 0.00 0.00 175.30 174.53 1wgv s VAL 58 N 0.97 0.39 0.26 7.11 1.01 0.29 -2.87 120.40 127.55 1wgv s VAL 58 Ca -0.09 -1.28 0.11 0.00 0.00 0.00 0.00 61.98 60.72 1wgv s VAL 58 Cb -0.13 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 1wgv s VAL 58 CO -0.02 -0.77 -0.20 0.00 0.00 0.00 0.00 175.10 174.11 1wgv s ALA 59 N 1.62 2.61 0.01 5.51 0.00 -1.00 0.18 121.76 130.70 1wgv s ALA 59 Ca 0.12 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.27 1wgv s ALA 59 Cb -0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 1wgv s ALA 59 CO -0.24 0.27 -0.02 0.00 0.00 0.00 0.00 175.76 175.77 1wgv s MET 60 N -3.41 0.20 0.10 0.00 0.23 0.17 -0.66 119.30 115.92 1wgv s MET 60 Ca 0.28 -0.28 -0.30 0.00 -1.03 0.00 0.00 55.69 54.36 1wgv s MET 60 Cb -0.05 -0.05 -0.06 0.00 -1.53 0.00 0.00 34.83 33.15 1wgv s MET 60 CO 0.13 0.00 1.09 -0.51 -2.03 0.00 0.00 175.02 173.71 1wgv s LEU 61 N -0.60 4.43 -0.03 0.18 1.43 0.52 -0.42 118.68 124.19 1wgv s LEU 61 Ca -0.06 1.94 -0.03 0.00 -1.03 0.00 0.00 54.13 54.96 1wgv s LEU 61 Cb -0.04 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 1wgv s LEU 61 CO -0.00 -0.29 -0.06 -0.62 0.23 0.00 0.00 176.35 175.61 1wgv n GLU 62 N 3.21 0.10 0.02 1.70 -0.58 -0.66 -4.93 120.64 119.50 1wgv n GLU 62 Ca 0.05 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1wgv n GLU 62 Cb 0.48 -0.74 0.00 0.00 -0.57 0.00 0.00 31.44 30.60 1wgv n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1wgv n GLU 63 N -2.84 0.00 0.00 3.49 2.13 -1.26 -4.92 120.64 117.24 1wgv n GLU 63 Ca -0.02 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.92 1wgv n GLU 63 Cb 0.09 0.00 0.29 0.00 0.27 0.00 0.00 31.44 32.09 1wgv n GLU 63 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1wgv n ASN 64 N -2.34 0.73 0.00 4.31 4.13 -1.26 -4.97 115.26 115.86 1wgv n ASN 64 Ca 0.00 -0.53 0.00 0.00 1.68 0.00 0.00 54.58 55.73 1wgv n ASN 64 Cb 0.00 0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.47 1wgv n ASN 64 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wgv n GLY 65 N 1.44 3.32 2.80 7.41 0.00 -1.26 -5.20 105.19 113.69 1wgv n GLY 65 Ca 0.08 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1wgv n GLY 65 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wgv n GLU 66 N 0.00 0.79 -3.77 1.61 0.00 -1.26 -1.65 120.64 116.36 1wgv n GLU 66 Ca 0.00 -1.81 -0.13 0.00 0.00 0.00 0.00 57.16 55.22 1wgv n GLU 66 Cb 0.00 2.11 -0.10 0.00 0.00 0.00 0.00 31.44 33.44 1wgv n GLU 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1wgv s ARG 67 N -2.20 0.45 -0.70 3.44 3.52 0.45 -4.82 118.95 119.08 1wgv s ARG 67 Ca 0.15 0.23 -0.20 0.00 -0.13 0.00 0.00 55.73 55.78 1wgv s ARG 67 Cb -0.03 0.21 0.10 0.00 -1.56 0.00 0.00 34.95 33.67 1wgv s ARG 67 CO 0.11 -0.08 0.89 0.08 -0.81 0.00 0.00 175.30 175.49 1wgv s VAL 68 N -0.29 4.66 0.07 7.11 1.01 -1.26 0.42 120.40 132.13 1wgv s VAL 68 Ca -0.04 -0.98 -0.37 0.00 0.00 0.00 0.00 61.98 60.60 1wgv s VAL 68 Cb -0.03 -4.62 -0.19 0.00 0.00 0.00 0.00 36.38 31.54 1wgv s VAL 68 CO 0.01 -1.33 1.56 -0.07 0.00 0.00 0.00 175.10 175.28 1wgv h LEU 69 N 10.45 -1.29 -8.21 3.92 3.38 0.16 -3.44 115.31 120.29 1wgv h LEU 69 Ca -0.17 0.08 -0.40 0.00 0.09 0.00 0.00 57.88 57.48 1wgv h LEU 69 Cb 1.06 0.39 -0.25 0.00 0.09 0.00 0.00 40.66 41.95 1wgv h LEU 69 CO 1.11 -0.74 -0.78 -0.32 0.09 0.00 0.00 178.44 177.81 1wgv s MET 70 N -5.89 0.79 -0.25 1.13 0.00 -0.21 -4.82 119.30 110.05 1wgv s MET 70 Ca -0.19 -0.62 -0.29 0.00 0.00 0.00 0.00 55.69 54.59 1wgv s MET 70 Cb 0.03 -0.75 0.17 0.00 0.00 0.00 0.00 34.83 34.29 1wgv s MET 70 CO 0.60 0.19 1.26 -2.00 0.00 0.00 0.00 175.02 175.06 1wgv s GLU 71 N -0.93 0.22 0.00 4.11 -6.30 -1.26 0.10 118.70 114.64 1wgv s GLU 71 Ca 0.00 0.08 0.00 0.00 -2.50 0.00 0.00 54.97 52.55 1wgv s GLU 71 Cb -0.07 0.10 0.00 0.00 0.00 0.00 0.00 34.13 34.16 1wgv s GLU 71 CO 0.01 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.63 1wgv n GLY 72 N 0.75 4.04 3.69 -1.50 0.00 -1.15 -5.02 105.19 106.00 1wgv n GLY 72 Ca -0.04 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 1wgv n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wgv s LYS 73 N -2.86 4.25 1.23 1.61 -0.14 -1.26 -3.23 119.74 119.35 1wgv s LYS 73 Ca 0.00 2.10 -0.17 0.00 -1.36 0.00 0.00 55.97 56.54 1wgv s LYS 73 Cb 0.00 -3.57 0.30 0.00 -1.68 0.00 0.00 37.83 32.88 1wgv s LYS 73 CO 0.00 -0.63 1.03 -0.51 -0.76 0.00 0.00 175.35 174.48 1wgv s LEU 74 N 2.45 0.28 0.02 3.17 1.43 0.42 -2.68 118.68 123.77 1wgv s LEU 74 Ca 0.67 1.01 -0.03 0.00 -1.03 0.00 0.00 54.13 54.76 1wgv s LEU 74 Cb -0.35 -2.76 -0.28 0.00 0.03 0.00 0.00 46.19 42.83 1wgv s LEU 74 CO 0.29 -4.40 0.93 0.71 0.23 0.00 0.00 176.35 174.11 1wgv h THR 75 N -2.76 1.25 -3.28 5.49 1.35 -1.49 -3.41 112.91 110.05 1wgv h THR 75 Ca -0.51 -2.87 -0.50 0.00 -0.55 0.00 0.00 66.41 61.98 1wgv h THR 75 Cb 1.33 2.81 -0.13 0.00 -1.73 0.00 0.00 68.15 70.42 1wgv h THR 75 CO 0.41 0.83 -0.53 -1.00 -0.25 0.00 0.00 175.52 174.98 1wgv s HIS 76 N -2.63 1.74 0.48 4.73 3.76 -1.26 -5.05 115.29 117.07 1wgv s HIS 76 Ca -0.08 -1.34 -0.05 0.00 -0.15 0.00 0.00 55.06 53.45 1wgv s HIS 76 Cb 0.07 -1.03 -0.04 0.00 1.11 0.00 0.00 32.58 32.69 1wgv s HIS 76 CO 0.86 -0.41 0.78 0.15 -0.85 0.00 0.00 174.74 175.27 1wgv s LYS 77 N -3.72 3.54 0.33 1.40 1.02 -1.26 -4.26 119.74 116.80 1wgv s LYS 77 Ca 0.30 0.19 0.05 0.00 0.02 0.00 0.00 55.97 56.52 1wgv s LYS 77 Cb 0.04 -2.38 -0.03 0.00 -0.52 0.00 0.00 37.83 34.93 1wgv s LYS 77 CO 0.17 -0.20 0.20 0.96 -0.92 0.00 0.00 175.35 175.56 1wgv s ILE 78 N -2.73 0.23 -0.97 2.17 -5.25 0.11 -4.02 121.20 110.74 1wgv s ILE 78 Ca 0.47 -2.00 -0.07 0.00 -0.99 0.00 0.00 60.65 58.06 1wgv s ILE 78 Cb -0.10 -2.47 0.24 0.00 2.95 0.00 0.00 42.46 43.08 1wgv s ILE 78 CO 0.45 0.00 0.91 0.20 -1.79 0.00 0.00 174.94 174.71 1wgv s ASN 79 N -3.41 6.70 0.57 4.36 0.01 -0.32 -4.70 114.94 118.15 1wgv s ASN 79 Ca 0.35 -3.45 0.34 0.00 -0.71 0.00 0.00 52.86 49.40 1wgv s ASN 79 Cb 0.04 -2.10 1.43 0.00 0.41 0.00 0.00 41.25 41.03 1wgv s ASN 79 CO 0.20 -0.31 1.71 0.71 -1.51 0.00 0.00 177.10 177.91 1wgv h THR 80 N 4.07 0.28 0.04 1.60 1.35 -1.88 1.32 112.91 119.68 1wgv h THR 80 Ca 0.15 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.01 1wgv h THR 80 Cb 0.89 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1wgv h THR 80 CO 0.90 0.00 -0.02 -0.08 -0.25 0.00 0.00 175.52 176.08 1wgv h GLU 81 N 0.00 -0.05 0.00 4.72 4.81 -1.93 -3.15 114.58 118.99 1wgv h GLU 81 Ca 0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 1wgv h GLU 81 Cb 2.24 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.63 1wgv h GLU 81 CO -0.01 0.48 0.00 1.03 -0.73 0.00 0.00 179.01 179.79 1wgv h SER 82 N -0.60 0.00 -4.38 1.04 0.87 -0.58 -3.44 113.55 106.46 1wgv h SER 82 Ca -0.00 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.05 1wgv h SER 82 Cb 0.55 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.58 1wgv h SER 82 CO 0.01 0.00 0.41 -0.44 -0.53 0.00 0.00 176.83 176.27 1wgv s SER 83 N -5.90 5.82 0.37 6.23 0.01 0.41 -4.74 113.70 115.90 1wgv s SER 83 Ca 0.05 1.39 -0.05 0.00 1.31 0.00 0.00 55.95 58.65 1wgv s SER 83 Cb 0.07 -2.34 0.02 0.00 0.21 0.00 0.00 66.02 63.98 1wgv s SER 83 CO 0.61 -1.13 0.56 -1.48 0.41 0.00 0.00 173.24 172.21 1wgv s LEU 84 N -5.31 0.83 -0.28 2.44 0.05 -0.98 -4.88 118.68 110.55 1wgv s LEU 84 Ca 0.57 -1.46 -0.17 0.00 0.05 0.00 0.00 54.13 53.11 1wgv s LEU 84 Cb -0.12 1.80 0.11 0.00 -2.05 0.00 0.00 46.19 45.94 1wgv s LEU 84 CO 0.54 -1.42 0.84 -1.66 -0.55 0.00 0.00 176.35 174.09 1wgv s TRP 85 N -2.74 -0.81 -0.04 3.48 1.48 -1.26 -0.62 118.94 118.43 1wgv s TRP 85 Ca 0.27 1.64 0.04 0.00 -1.06 0.00 0.00 56.10 56.99 1wgv s TRP 85 Cb -0.02 0.48 -0.00 0.00 -1.16 0.00 0.00 33.47 32.77 1wgv s TRP 85 CO 0.19 -0.40 -0.15 -1.12 -4.06 0.00 0.00 176.95 171.41 1wgv s SER 86 N 1.40 1.96 -0.05 -2.66 0.01 0.12 -4.97 113.70 109.51 1wgv s SER 86 Ca -0.09 -0.32 -0.10 0.00 1.31 0.00 0.00 55.95 56.76 1wgv s SER 86 Cb -0.04 -0.56 -0.05 0.00 0.21 0.00 0.00 66.02 65.58 1wgv s SER 86 CO -0.16 0.13 0.26 -0.22 0.41 0.00 0.00 173.24 173.66 1wgv s LEU 87 N 0.10 4.42 -0.07 2.44 1.98 -1.26 0.39 118.68 126.67 1wgv s LEU 87 Ca -0.04 0.67 0.05 0.00 -2.89 0.00 0.00 54.13 51.92 1wgv s LEU 87 Cb -0.11 -2.36 -0.01 0.00 0.66 0.00 0.00 46.19 44.37 1wgv s LEU 87 CO 0.02 0.35 -0.24 -1.61 -1.89 0.00 0.00 176.35 172.98 1wgv s GLU 88 N -1.17 2.71 -0.07 1.98 2.02 -0.95 -4.97 118.70 118.25 1wgv s GLU 88 Ca 0.20 -0.89 -0.30 0.00 0.02 0.00 0.00 54.97 54.01 1wgv s GLU 88 Cb -0.14 -2.20 -0.03 0.00 0.10 0.00 0.00 34.13 31.86 1wgv s GLU 88 CO 0.09 0.31 1.23 -1.25 0.02 0.00 0.00 175.26 175.66 1wgv s PRO 89 N 0.02 4.32 -1.34 0.39 0.04 -1.26 -3.36 135.00 133.81 1wgv s PRO 89 Ca -0.09 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.61 1wgv s PRO 89 Cb -0.15 -3.60 0.02 0.00 0.04 0.00 0.00 34.50 30.81 1wgv s PRO 89 CO 0.06 -0.51 0.89 0.41 0.04 0.00 0.00 177.00 177.89 1wgv n GLY 90 N 3.44 -0.38 0.00 0.56 0.00 -0.76 -4.86 105.19 103.18 1wgv n GLY 90 Ca 0.12 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1wgv n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wgv n LYS 91 N -4.42 0.00 -3.83 1.61 4.76 -1.22 -4.97 118.16 110.10 1wgv n LYS 91 Ca -0.19 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.19 1wgv n LYS 91 Cb 0.63 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.82 1wgv n LYS 91 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wgv s VAL 93 N -3.15 5.33 -0.15 0.00 1.01 0.52 -2.25 120.40 121.71 1wgv s VAL 93 Ca 0.14 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.21 1wgv s VAL 93 Cb -0.05 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1wgv s VAL 93 CO 0.07 0.55 0.03 -0.22 0.00 0.00 0.00 175.10 175.53 1wgv s LEU 94 N -0.45 3.66 -0.07 3.92 1.98 0.16 -1.52 118.68 126.36 1wgv s LEU 94 Ca 0.12 0.06 -0.02 0.00 -2.89 0.00 0.00 54.13 51.40 1wgv s LEU 94 Cb -0.12 -1.90 0.03 0.00 0.66 0.00 0.00 46.19 44.87 1wgv s LEU 94 CO 0.02 0.22 0.03 -0.69 -1.89 0.00 0.00 176.35 174.04 1wgv s VAL 95 N 0.05 0.18 -0.17 1.68 1.01 -1.18 0.15 120.40 122.12 1wgv s VAL 95 Ca 0.04 0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.15 1wgv s VAL 95 Cb -0.13 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1wgv s VAL 95 CO 0.01 0.19 0.08 0.20 0.00 0.00 0.00 175.10 175.59 1wgv s ASN 96 N 2.05 5.80 -0.19 3.32 0.01 0.21 -3.14 114.94 123.00 1wgv s ASN 96 Ca 0.05 0.17 0.01 0.00 -0.71 0.00 0.00 52.86 52.38 1wgv s ASN 96 Cb -0.12 -1.95 0.03 0.00 0.41 0.00 0.00 41.25 39.61 1wgv s ASN 96 CO -0.05 0.23 -0.18 -0.76 -1.51 0.00 0.00 177.10 174.84 1wgv s LEU 97 N 0.03 2.34 -0.42 0.60 1.43 -1.04 -2.31 118.68 119.30 1wgv s LEU 97 Ca 0.07 -0.78 -0.17 0.00 -1.03 0.00 0.00 54.13 52.22 1wgv s LEU 97 Cb -0.12 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.66 1wgv s LEU 97 CO 0.00 -0.04 0.40 -0.44 0.23 0.00 0.00 176.35 176.50 1wgv s SER 98 N 1.27 6.17 0.38 2.29 0.01 -1.26 -2.87 113.70 119.68 1wgv s SER 98 Ca 0.02 -0.79 -0.26 0.00 1.31 0.00 0.00 55.95 56.23 1wgv s SER 98 Cb -0.14 -2.20 -0.11 0.00 0.21 0.00 0.00 66.02 63.77 1wgv s SER 98 CO -0.11 -0.56 1.22 0.29 0.41 0.00 0.00 173.24 174.49 1wgv n LYS 99 N 5.46 1.88 -1.12 12.44 5.02 -1.26 -1.18 118.16 139.41 1wgv n LYS 99 Ca -0.09 0.66 -0.23 0.00 -2.02 0.00 0.00 58.31 56.64 1wgv n LYS 99 Cb 0.47 -2.27 0.03 0.00 -0.02 0.00 0.00 35.03 33.24 1wgv n LYS 99 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1wgv n VAL 100 N -0.01 3.07 0.00 -0.18 0.24 -1.26 -4.76 118.33 115.45 1wgv n VAL 100 Ca 0.06 -2.22 0.00 0.00 -2.04 0.00 0.00 64.34 60.14 1wgv n VAL 100 Cb 0.38 -1.34 0.00 0.00 -1.47 0.00 0.00 33.84 31.41 1wgv n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wgv n GLY 101 N 0.14 2.04 3.56 7.63 0.00 -1.26 -5.00 105.19 112.29 1wgv n GLY 101 Ca 0.41 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 1wgv n GLY 101 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgv s GLU 102 N -1.48 2.57 0.14 1.61 2.02 -1.26 -4.92 118.70 117.38 1wgv s GLU 102 Ca 0.00 0.11 0.06 0.00 0.02 0.00 0.00 54.97 55.16 1wgv s GLU 102 Cb 0.00 -4.77 -0.04 0.00 0.10 0.00 0.00 34.13 29.42 1wgv s GLU 102 CO 0.00 -3.12 -0.14 0.71 0.02 0.00 0.00 175.26 172.73 1wgv s TYR 103 N 9.75 1.44 -0.58 1.61 2.02 -1.26 -5.10 117.35 125.24 1wgv s TYR 103 Ca 0.69 -0.58 -0.03 0.00 -0.37 0.00 0.00 57.07 56.78 1wgv s TYR 103 Cb -0.09 -0.74 0.15 0.00 -0.40 0.00 0.00 41.96 40.88 1wgv s TYR 103 CO 0.09 0.17 0.39 1.67 -1.57 0.00 0.00 175.55 176.30 1wgv s TRP 104 N -2.38 3.46 -1.09 2.71 -2.14 -1.26 -5.01 118.94 113.24 1wgv s TRP 104 Ca 0.12 -2.59 -0.22 0.00 2.66 0.00 0.00 56.10 56.06 1wgv s TRP 104 Cb -0.04 -3.24 -0.02 0.00 -3.10 0.00 0.00 33.47 27.07 1wgv s TRP 104 CO 0.03 -0.88 1.82 -1.58 -2.66 0.00 0.00 176.95 173.68 1wgv s TRP 105 N 0.27 2.15 0.22 1.66 0.52 -1.26 -4.71 118.94 117.79 1wgv s TRP 105 Ca 0.15 -0.07 0.30 0.00 0.02 0.00 0.00 56.10 56.50 1wgv s TRP 105 Cb -0.21 -4.26 1.65 0.00 -1.15 0.00 0.00 33.47 29.50 1wgv s TRP 105 CO -0.04 -1.60 1.92 -2.95 0.02 0.00 0.00 176.95 174.30 1wgv h ASN 106 N 9.85 0.00 -4.83 2.95 7.08 -1.96 -3.43 115.58 125.24 1wgv h ASN 106 Ca 0.22 0.00 0.07 0.00 -3.08 0.00 0.00 56.30 53.51 1wgv h ASN 106 Cb 0.96 0.00 -0.13 0.00 -2.08 0.00 0.00 38.32 37.07 1wgv h ASN 106 CO 1.30 0.00 0.39 0.00 -2.08 0.00 0.00 177.43 177.04 1wgv s ALA 107 N -3.80 -1.71 -0.06 4.14 0.00 -1.26 -1.98 121.76 117.09 1wgv s ALA 107 Ca -0.03 0.72 -0.09 0.00 0.00 0.00 0.00 51.96 52.56 1wgv s ALA 107 Cb 0.09 0.60 -0.05 0.00 0.00 0.00 0.00 23.12 23.76 1wgv s ALA 107 CO 0.28 -0.76 0.39 0.82 0.00 0.00 0.00 175.76 176.49 1wgv h ILE 108 N 2.00 0.00 -1.01 0.00 1.08 -1.92 -3.40 117.51 114.25 1wgv h ILE 108 Ca -0.26 -0.70 -0.50 0.00 -0.39 0.00 0.00 64.86 63.01 1wgv h ILE 108 Cb 1.26 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.01 1wgv h ILE 108 CO 0.32 0.00 -0.23 -0.76 -0.69 0.00 0.00 178.15 176.79 1wgv s LEU 109 N -8.64 3.18 0.77 1.44 1.43 -1.26 -1.51 118.68 114.10 1wgv s LEU 109 Ca -0.05 -0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 52.10 1wgv s LEU 109 Cb 0.00 -1.82 0.05 0.00 0.03 0.00 0.00 46.19 44.46 1wgv s LEU 109 CO 0.15 -1.04 1.11 -1.61 0.23 0.00 0.00 176.35 175.19 1wgv s GLU 110 N -4.41 2.30 0.00 1.70 2.02 -1.09 -4.01 118.70 115.20 1wgv s GLU 110 Ca 0.51 0.49 0.00 0.00 0.02 0.00 0.00 54.97 56.00 1wgv s GLU 110 Cb -0.05 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.22 1wgv s GLU 110 CO 0.32 -1.44 0.00 0.41 0.02 0.00 0.00 175.26 174.57 1wgv n GLY 111 N -2.57 1.43 3.45 -1.39 0.00 -1.26 -4.92 105.19 99.93 1wgv n GLY 111 Ca 0.07 -0.01 -0.63 0.00 0.00 0.00 0.00 46.02 45.45 1wgv n GLY 111 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wgv n GLU 112 N 0.00 0.00 -1.35 1.61 2.13 -1.26 -4.70 120.64 117.07 1wgv n GLU 112 Ca 0.00 0.00 -0.48 0.00 0.66 0.00 0.00 57.16 57.34 1wgv n GLU 112 Cb 0.00 -1.49 -0.04 0.00 0.27 0.00 0.00 31.44 30.18 1wgv n GLU 112 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1wgv n GLU 113 N 5.86 0.00 -2.43 5.31 1.02 -1.26 -4.79 120.64 124.35 1wgv n GLU 113 Ca 0.44 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 57.15 1wgv n GLU 113 Cb -0.05 -1.04 -0.02 0.00 -0.02 0.00 0.00 31.44 30.30 1wgv n GLU 113 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1wgv s PRO 114 N -0.77 4.30 1.04 3.49 0.04 -1.26 -4.79 135.00 137.04 1wgv s PRO 114 Ca 0.66 1.69 -0.22 0.00 0.04 0.00 0.00 61.00 63.17 1wgv s PRO 114 Cb -0.95 -3.65 -0.07 0.00 0.04 0.00 0.00 34.50 29.88 1wgv s PRO 114 CO 0.53 -0.56 -0.73 0.44 0.04 0.00 0.00 177.00 176.72 1wgv n ILE 115 N 4.93 0.00 -2.96 0.56 -5.35 -0.84 -4.79 119.36 110.91 1wgv n ILE 115 Ca 0.12 -0.19 -0.44 0.00 -0.27 0.00 0.00 62.75 61.97 1wgv n ILE 115 Cb 0.45 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.09 1wgv n ILE 115 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1wgv n ASP 116 N 1.28 5.27 -4.45 7.28 9.92 -1.26 -4.97 116.55 129.62 1wgv n ASP 116 Ca -0.00 -3.00 -0.63 0.00 -0.53 0.00 0.00 54.79 50.62 1wgv n ASP 116 Cb 0.66 -1.54 -0.11 0.00 -0.64 0.00 0.00 41.12 39.50 1wgv n ASP 116 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1wgv n ILE 117 N 4.22 0.00 0.00 0.53 -0.00 -1.26 -4.67 119.36 118.18 1wgv n ILE 117 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.10 1wgv n ILE 117 Cb 0.42 -0.49 0.00 0.00 -0.00 0.00 0.00 39.64 39.57 1wgv n ILE 117 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1wgv n ASP 118 N 5.43 0.09 -2.24 4.38 -0.08 -1.26 -5.14 116.55 117.72 1wgv n ASP 118 Ca 0.41 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1wgv n ASP 118 Cb -0.05 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.41 1wgv n ASP 118 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1wgv n SER 119 N -2.26 -9.01 0.00 1.67 7.64 -1.26 -5.08 113.62 105.32 1wgv n SER 119 Ca 0.00 1.66 0.00 0.00 1.01 0.00 0.00 58.87 61.54 1wgv n SER 119 Cb 0.04 -5.07 0.00 0.00 -1.01 0.00 0.00 64.21 58.17 1wgv n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgv n GLY 120 N 1.91 3.87 3.67 0.23 0.00 -1.26 -5.07 105.19 108.55 1wgv n GLY 120 Ca 0.00 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 1wgv n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgv s PRO 121 N 3.63 4.28 0.58 1.61 0.04 -1.26 -5.02 135.00 138.86 1wgv s PRO 121 Ca 0.00 1.69 -0.08 0.00 0.04 0.00 0.00 61.00 62.65 1wgv s PRO 121 Cb 0.00 -3.69 -0.02 0.00 0.04 0.00 0.00 34.50 30.83 1wgv s PRO 121 CO 0.00 -0.61 0.93 -1.12 0.04 0.00 0.00 177.00 176.24 1wgv s SER 122 N 1.82 5.98 -0.42 6.66 0.01 -1.26 -4.52 113.70 121.97 1wgv s SER 122 Ca 0.56 1.06 -0.32 0.00 1.31 0.00 0.00 55.95 58.55 1wgv s SER 122 Cb -0.23 -2.14 0.05 0.00 0.21 0.00 0.00 66.02 63.90 1wgv s SER 122 CO 0.18 -0.89 0.61 -1.20 0.41 0.00 0.00 173.24 172.35 1wgv n SER 123 N -2.60 -6.07 0.00 2.44 7.64 -1.26 -5.17 113.62 108.60 1wgv n SER 123 Ca 0.04 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1wgv n SER 123 Cb 0.56 -2.43 0.00 0.00 -1.01 0.00 0.00 64.21 61.33 1wgv n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64