#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgv n SER 2 N 0.00 0.00 -3.41 1.61 2.88 -1.26 -5.16 113.62 108.29 1wgv n SER 2 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1wgv n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1wgv n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wgv s SER 3 N 0.00 -1.26 0.00 -3.46 1.04 -1.26 -5.16 113.70 103.61 1wgv s SER 3 Ca 0.00 1.23 0.00 0.00 0.48 0.00 0.00 55.95 57.66 1wgv s SER 3 Cb 0.00 2.23 0.00 0.00 0.10 0.00 0.00 66.02 68.35 1wgv s SER 3 CO 0.00 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1wgv n GLY 4 N 5.44 2.80 0.68 7.32 0.00 -1.26 -5.07 105.19 115.09 1wgv n GLY 4 Ca -0.07 -1.12 -0.04 0.00 0.00 0.00 0.00 46.02 44.79 1wgv n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgv n SER 5 N 0.00 1.35 -3.36 1.61 7.64 -1.26 -5.07 113.62 114.52 1wgv n SER 5 Ca 0.00 0.20 -0.31 0.00 1.01 0.00 0.00 58.87 59.77 1wgv n SER 5 Cb 0.00 -0.47 0.03 0.00 -1.01 0.00 0.00 64.21 62.76 1wgv n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wgv n SER 6 N -3.82 -6.07 0.00 6.43 3.41 -1.26 -4.85 113.62 107.46 1wgv n SER 6 Ca -0.07 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1wgv n SER 6 Cb 0.25 -2.56 0.00 0.00 -0.26 0.00 0.00 64.21 61.64 1wgv n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgv n GLY 7 N -0.29 -0.06 1.23 5.00 0.00 -1.26 -5.03 105.19 104.77 1wgv n GLY 7 Ca -0.05 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1wgv n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wgv n GLN 8 N 0.00 0.00 -3.90 1.61 1.13 -1.26 -5.05 117.38 109.92 1wgv n GLN 8 Ca 0.00 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.79 1wgv n GLN 8 Cb 0.00 -0.41 -0.17 0.00 0.11 0.00 0.00 30.24 29.78 1wgv n GLN 8 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1wgv s LYS 9 N -2.00 1.47 0.08 -1.09 1.02 -1.26 -5.13 119.74 112.82 1wgv s LYS 9 Ca 0.00 -0.36 0.08 0.00 0.02 0.00 0.00 55.97 55.71 1wgv s LYS 9 Cb 0.00 -1.76 -0.03 0.00 -0.52 0.00 0.00 37.83 35.52 1wgv s LYS 9 CO 0.00 -0.34 -0.21 -0.80 -0.92 0.00 0.00 175.35 173.07 1wgv s ASN 10 N 1.68 2.59 0.99 2.83 0.01 -1.26 -5.14 114.94 116.64 1wgv s ASN 10 Ca 0.03 -0.61 -0.15 0.00 -0.71 0.00 0.00 52.86 51.42 1wgv s ASN 10 Cb -0.14 -0.18 0.19 0.00 0.41 0.00 0.00 41.25 41.53 1wgv s ASN 10 CO -0.08 0.12 1.18 -2.16 -1.51 0.00 0.00 177.10 174.65 1wgv s PRO 11 N -1.56 0.48 -0.10 -0.60 0.04 -1.26 -5.01 135.00 126.99 1wgv s PRO 11 Ca 0.08 0.04 -0.23 0.00 0.04 0.00 0.00 61.00 60.93 1wgv s PRO 11 Cb -0.09 -1.78 -0.20 0.00 0.04 0.00 0.00 34.50 32.47 1wgv s PRO 11 CO 0.03 -2.60 0.78 -0.44 0.04 0.00 0.00 177.00 174.81 1wgv h ASP 12 N -1.78 -0.04 -4.10 6.66 3.32 -2.06 -3.46 116.42 114.95 1wgv h ASP 12 Ca -0.48 -0.65 -0.67 0.00 0.02 0.00 0.00 57.03 55.26 1wgv h ASP 12 Cb 1.30 0.01 -0.24 0.00 0.22 0.00 0.00 39.33 40.62 1wgv h ASP 12 CO 0.50 0.71 -0.87 -0.55 -1.72 0.00 0.00 179.24 177.31 1wgv s SER 13 N -5.88 3.09 0.89 6.45 0.15 -1.26 -5.12 113.70 112.02 1wgv s SER 13 Ca -0.15 -0.67 -0.13 0.00 0.70 0.00 0.00 55.95 55.70 1wgv s SER 13 Cb -0.01 -0.23 0.04 0.00 -1.71 0.00 0.00 66.02 64.11 1wgv s SER 13 CO 0.55 0.19 0.62 -1.22 1.20 0.00 0.00 173.24 174.59 1wgv n TYR 14 N 1.29 -0.69 -1.28 3.44 4.01 -1.26 -4.65 117.16 118.03 1wgv n TYR 14 Ca -0.18 0.30 -0.60 0.00 -0.16 0.00 0.00 57.90 57.26 1wgv n TYR 14 Cb 0.53 -1.88 -0.12 0.00 -0.31 0.00 0.00 39.34 37.56 1wgv n TYR 14 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1wgv n ASN 15 N -1.74 0.84 0.00 7.72 3.02 -1.26 -4.54 115.26 119.30 1wgv n ASN 15 Ca 0.09 0.68 0.00 0.00 -0.03 0.00 0.00 54.58 55.32 1wgv n ASN 15 Cb 0.52 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 1wgv n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wgv n GLY 16 N 7.34 0.78 2.81 7.41 0.00 -1.26 -5.01 105.19 117.26 1wgv n GLY 16 Ca 0.54 0.45 -0.15 0.00 0.00 0.00 0.00 46.02 46.86 1wgv n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgv s ALA 17 N -1.00 -0.56 0.15 4.61 0.00 -1.26 -4.99 121.76 118.71 1wgv s ALA 17 Ca 0.00 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.49 1wgv s ALA 17 Cb 0.00 -1.44 0.02 0.00 0.00 0.00 0.00 23.12 21.71 1wgv s ALA 17 CO 0.00 -1.21 0.20 1.33 0.00 0.00 0.00 175.76 176.08 1wgv n VAL 18 N 5.34 0.00 -3.64 0.00 0.24 -1.26 -3.99 118.33 115.02 1wgv n VAL 18 Ca -0.05 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.34 61.72 1wgv n VAL 18 Cb 0.50 -0.86 -0.05 0.00 -1.47 0.00 0.00 33.84 31.96 1wgv n VAL 18 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1wgv s ARG 19 N -2.67 0.14 0.43 7.34 6.06 -1.26 -4.94 118.95 124.05 1wgv s ARG 19 Ca 0.15 0.06 0.21 0.00 -2.50 0.00 0.00 55.73 53.66 1wgv s ARG 19 Cb -0.01 0.06 0.96 0.00 0.06 0.00 0.00 34.95 36.02 1wgv s ARG 19 CO 0.10 -0.04 1.87 1.05 -2.50 0.00 0.00 175.30 175.78 1wgv h GLU 20 N 2.43 0.00 0.14 5.12 4.11 -2.02 -3.10 114.58 121.27 1wgv h GLU 20 Ca -0.14 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.28 1wgv h GLU 20 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1wgv h GLU 20 CO 0.22 0.27 -0.07 -0.97 0.07 0.00 0.00 179.01 178.53 1wgv h ASN 21 N 0.00 -0.16 -2.88 3.06 -0.73 -1.95 -3.47 115.58 109.44 1wgv h ASN 21 Ca -0.00 -0.39 0.06 0.00 1.87 0.00 0.00 56.30 57.84 1wgv h ASN 21 Cb 0.65 0.04 -0.24 0.00 0.27 0.00 0.00 38.32 39.04 1wgv h ASN 21 CO 0.04 0.41 0.25 -0.72 -0.37 0.00 0.00 177.43 177.03 1wgv s TYR 22 N -3.42 -0.75 0.28 0.67 -0.85 -1.17 -4.67 117.35 107.44 1wgv s TYR 22 Ca -0.13 1.55 -0.15 0.00 -0.52 0.00 0.00 57.07 57.83 1wgv s TYR 22 Cb 0.00 0.44 -0.08 0.00 0.38 0.00 0.00 41.96 42.70 1wgv s TYR 22 CO 0.50 -0.37 0.69 0.99 -1.52 0.00 0.00 175.55 175.84 1wgv s THR 23 N 1.24 4.72 0.19 -3.49 2.01 -1.00 -4.02 115.64 115.28 1wgv s THR 23 Ca -0.07 0.90 -0.22 0.00 0.31 0.00 0.00 61.69 62.60 1wgv s THR 23 Cb -0.04 -3.65 0.06 0.00 0.01 0.00 0.00 72.50 68.87 1wgv s THR 23 CO -0.14 -0.09 0.62 -1.66 -0.69 0.00 0.00 174.62 172.66 1wgv s TRP 24 N -1.87 -0.45 0.33 4.92 1.48 -1.26 -0.56 118.94 121.54 1wgv s TRP 24 Ca 0.51 0.18 -0.09 0.00 -1.06 0.00 0.00 56.10 55.63 1wgv s TRP 24 Cb -0.11 0.58 0.01 0.00 -1.16 0.00 0.00 33.47 32.79 1wgv s TRP 24 CO 0.19 -0.94 0.57 -1.54 -4.06 0.00 0.00 176.95 171.17 1wgv s SER 25 N -2.79 0.37 -0.16 -2.66 1.04 -0.89 -4.32 113.70 104.29 1wgv s SER 25 Ca 0.03 -1.22 -0.03 0.00 0.48 0.00 0.00 55.95 55.21 1wgv s SER 25 Cb -0.02 0.69 0.05 0.00 0.10 0.00 0.00 66.02 66.85 1wgv s SER 25 CO -0.08 -1.36 0.05 0.00 0.98 0.00 0.00 173.24 172.83 1wgv s GLN 26 N -3.15 0.42 0.00 4.02 -2.07 -1.26 -3.03 119.66 114.59 1wgv s GLN 26 Ca 0.24 -0.19 0.04 0.00 -1.82 0.00 0.00 55.36 53.62 1wgv s GLN 26 Cb -0.02 -1.77 -0.01 0.00 -1.09 0.00 0.00 33.01 30.12 1wgv s GLN 26 CO 0.15 -0.59 -0.12 -0.51 -1.32 0.00 0.00 175.29 172.90 1wgv s ASP 27 N 1.98 1.38 0.00 12.60 1.01 -1.20 -4.97 116.67 127.48 1wgv s ASP 27 Ca 0.01 -0.27 0.00 0.00 0.71 0.00 0.00 52.55 53.00 1wgv s ASP 27 Cb -0.16 -0.13 0.00 0.00 1.01 0.00 0.00 42.92 43.64 1wgv s ASP 27 CO -0.08 0.11 0.00 -1.22 0.21 0.00 0.00 175.17 174.19 1wgv n TYR 28 N 2.58 0.00 -2.69 4.23 4.02 -1.26 -1.88 117.16 122.15 1wgv n TYR 28 Ca -0.15 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.68 1wgv n TYR 28 Cb 0.56 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.95 1wgv n TYR 28 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1wgv n THR 29 N 0.00 0.00 -3.79 -0.72 5.66 -1.26 -5.07 114.28 109.10 1wgv n THR 29 Ca 0.00 -1.15 -0.10 0.00 -3.05 0.00 0.00 64.05 59.76 1wgv n THR 29 Cb 0.00 1.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.74 1wgv n THR 29 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1wgv s ASP 30 N -0.79 -0.20 -0.23 1.09 1.01 -0.79 -4.50 116.67 112.26 1wgv s ASP 30 Ca 0.17 -0.56 0.01 0.00 0.71 0.00 0.00 52.55 52.88 1wgv s ASP 30 Cb 0.27 0.55 0.06 0.00 1.01 0.00 0.00 42.92 44.81 1wgv s ASP 30 CO -0.08 -1.02 -0.08 -0.76 0.21 0.00 0.00 175.17 173.44 1wgv s LEU 31 N -2.89 2.74 -0.37 1.23 1.02 -1.09 -3.21 118.68 116.11 1wgv s LEU 31 Ca 0.11 -1.18 -0.09 0.00 0.02 0.00 0.00 54.13 52.99 1wgv s LEU 31 Cb -0.00 -1.29 0.04 0.00 0.02 0.00 0.00 46.19 44.96 1wgv s LEU 31 CO -0.02 -0.21 0.18 -1.61 0.02 0.00 0.00 176.35 174.71 1wgv s GLU 32 N 1.32 2.71 -0.09 1.70 2.02 -1.17 -2.64 118.70 122.55 1wgv s GLU 32 Ca -0.06 -1.18 0.03 0.00 0.02 0.00 0.00 54.97 53.79 1wgv s GLU 32 Cb -0.19 -3.65 -0.01 0.00 0.10 0.00 0.00 34.13 30.39 1wgv s GLU 32 CO -0.06 -0.73 -0.20 0.54 0.02 0.00 0.00 175.26 174.83 1wgv s VAL 33 N 1.48 2.50 -0.07 2.63 0.11 -1.22 -2.10 120.40 123.73 1wgv s VAL 33 Ca 0.01 -0.88 0.05 0.00 -2.93 0.00 0.00 61.98 58.23 1wgv s VAL 33 Cb -0.20 -1.98 -0.01 0.00 -1.53 0.00 0.00 36.38 32.66 1wgv s VAL 33 CO 0.05 0.55 -0.24 -0.13 -3.33 0.00 0.00 175.10 172.01 1wgv s ARG 34 N 0.10 2.65 -0.15 1.54 3.00 0.28 -2.80 118.95 123.57 1wgv s ARG 34 Ca -0.09 -0.85 -0.02 0.00 0.00 0.00 0.00 55.73 54.76 1wgv s ARG 34 Cb -0.15 -2.14 -0.02 0.00 0.00 0.00 0.00 34.95 32.64 1wgv s ARG 34 CO 0.06 0.28 -0.08 0.08 0.00 0.00 0.00 175.30 175.64 1wgv s VAL 35 N 0.08 3.51 0.23 3.52 1.01 -0.51 -2.39 120.40 125.84 1wgv s VAL 35 Ca -0.10 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 1wgv s VAL 35 Cb -0.15 -2.52 -0.09 0.00 0.00 0.00 0.00 36.38 33.62 1wgv s VAL 35 CO 0.06 0.50 1.10 -2.16 0.00 0.00 0.00 175.10 174.60 1wgv s PRO 36 N 0.44 4.62 0.22 2.72 0.04 -1.26 0.19 135.00 141.97 1wgv s PRO 36 Ca -0.06 1.76 0.10 0.00 0.04 0.00 0.00 61.00 62.83 1wgv s PRO 36 Cb -0.15 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 1wgv s PRO 36 CO 0.04 0.15 -0.18 0.14 0.04 0.00 0.00 177.00 177.19 1wgv s VAL 37 N -0.69 2.04 1.06 -0.36 -7.23 -1.00 -4.87 120.40 109.34 1wgv s VAL 37 Ca 0.47 -2.20 -0.17 0.00 -1.81 0.00 0.00 61.98 58.27 1wgv s VAL 37 Cb -0.31 -2.09 0.23 0.00 0.56 0.00 0.00 36.38 34.77 1wgv s VAL 37 CO 0.38 -0.44 1.21 -2.16 -0.31 0.00 0.00 175.10 173.77 1wgv s PRO 38 N -3.35 -0.10 -0.03 4.82 0.04 -1.26 -4.36 135.00 130.76 1wgv s PRO 38 Ca 0.23 -0.17 0.06 0.00 0.04 0.00 0.00 61.00 61.17 1wgv s PRO 38 Cb -0.04 -1.74 0.22 0.00 0.04 0.00 0.00 34.50 32.99 1wgv s PRO 38 CO 0.10 -2.94 1.08 1.63 0.04 0.00 0.00 177.00 176.90 1wgv n LYS 39 N -4.19 1.78 0.00 4.56 4.76 -1.26 -2.93 118.16 120.87 1wgv n LYS 39 Ca 0.13 -0.89 0.04 0.00 -2.87 0.00 0.00 58.31 54.71 1wgv n LYS 39 Cb 0.59 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.42 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 0.19 0.00 -3.58 2.13 1.44 -1.26 -4.83 115.22 109.31 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 0.32 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.32 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 -1.02 4.67 0.00 0.61 1.01 -1.15 -4.82 120.40 119.70 1wgv s VAL 41 Ca 0.06 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1wgv s VAL 41 Cb 0.06 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1wgv s VAL 41 CO 0.16 -0.22 0.00 1.33 0.00 0.00 0.00 175.10 176.37 1wgv n VAL 42 N 5.02 0.00 -2.19 2.92 0.24 -1.26 -1.84 118.33 121.22 1wgv n VAL 42 Ca -0.12 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.86 1wgv n VAL 42 Cb 0.46 -0.34 -0.02 0.00 -1.47 0.00 0.00 33.84 32.48 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 -1.60 3.76 0.25 7.34 1.02 -1.26 -4.29 119.74 124.96 1wgv s LYS 43 Ca 0.00 0.93 0.14 0.00 0.02 0.00 0.00 55.97 57.05 1wgv s LYS 43 Cb 0.00 -2.11 0.03 0.00 -0.52 0.00 0.00 37.83 35.23 1wgv s LYS 43 CO 0.00 -0.43 1.42 0.78 -0.92 0.00 0.00 175.35 176.20 1wgv h GLY 44 N 0.49 0.00 2.00 -3.33 0.00 -1.94 -3.03 103.07 97.25 1wgv h GLY 44 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1wgv h GLY 44 CO 0.61 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.73 1wgv n LYS 45 N -3.26 0.03 0.00 4.80 2.85 -1.26 -1.54 118.16 119.79 1wgv n LYS 45 Ca 0.02 0.24 0.14 0.00 -1.05 0.00 0.00 58.31 57.66 1wgv n LYS 45 Cb 0.77 -1.56 0.62 0.00 -0.65 0.00 0.00 35.03 34.21 1wgv n LYS 45 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1wgv n GLN 46 N -1.62 1.09 -3.84 -1.58 6.02 -1.14 -4.77 117.38 111.53 1wgv n GLN 46 Ca 0.04 -0.46 -0.14 0.00 -0.01 0.00 0.00 57.00 56.42 1wgv n GLN 46 Cb 0.21 -1.49 -0.15 0.00 1.02 0.00 0.00 30.24 29.82 1wgv n GLN 46 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1wgv s VAL 47 N -2.23 0.01 -0.23 5.09 -7.23 -0.59 0.19 120.40 115.42 1wgv s VAL 47 Ca 0.35 0.10 -0.13 0.00 -1.81 0.00 0.00 61.98 60.50 1wgv s VAL 47 Cb 0.21 -0.09 -0.04 0.00 0.56 0.00 0.00 36.38 37.01 1wgv s VAL 47 CO 0.41 0.07 0.27 -0.44 -0.31 0.00 0.00 175.10 175.10 1wgv s SER 48 N 0.63 6.23 -0.17 4.85 0.01 0.13 -4.91 113.70 120.48 1wgv s SER 48 Ca -0.05 0.26 -0.00 0.00 1.31 0.00 0.00 55.95 57.47 1wgv s SER 48 Cb -0.08 -2.16 0.04 0.00 0.21 0.00 0.00 66.02 64.03 1wgv s SER 48 CO -0.02 -0.02 -0.08 -0.69 0.41 0.00 0.00 173.24 172.85 1wgv s VAL 49 N 1.30 1.30 -0.32 3.43 1.01 -1.25 -1.89 120.40 123.98 1wgv s VAL 49 Ca 0.12 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 1wgv s VAL 49 Cb -0.14 -1.39 0.06 0.00 0.00 0.00 0.00 36.38 34.90 1wgv s VAL 49 CO 0.07 0.21 0.03 0.00 0.00 0.00 0.00 175.10 175.40 1wgv s ALA 50 N 1.56 2.86 -0.18 5.51 0.00 -0.63 -4.95 121.76 125.92 1wgv s ALA 50 Ca 0.01 -1.90 -0.16 0.00 0.00 0.00 0.00 51.96 49.91 1wgv s ALA 50 Cb -0.15 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 1wgv s ALA 50 CO -0.08 -1.36 0.42 -0.51 0.00 0.00 0.00 175.76 174.23 1wgv s LEU 51 N 1.22 4.19 0.03 0.00 1.43 -1.26 -1.71 118.68 122.57 1wgv s LEU 51 Ca -0.03 0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.68 1wgv s LEU 51 Cb -0.20 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.44 1wgv s LEU 51 CO -0.02 -0.06 -0.06 -0.44 0.23 0.00 0.00 176.35 176.00 1wgv s SER 52 N 0.91 0.70 0.55 2.29 0.01 0.41 -5.01 113.70 113.55 1wgv s SER 52 Ca 0.21 -0.47 0.31 0.00 1.31 0.00 0.00 55.95 57.31 1wgv s SER 52 Cb -0.15 0.03 1.47 0.00 0.21 0.00 0.00 66.02 67.59 1wgv s SER 52 CO 0.08 -0.18 1.89 0.28 0.41 0.00 0.00 173.24 175.72 1wgv h SER 53 N 4.75 0.00 -1.03 2.44 0.02 -1.97 -2.96 113.55 114.80 1wgv h SER 53 Ca -0.34 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.24 1wgv h SER 53 Cb 1.20 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.47 1wgv h SER 53 CO 0.42 0.00 -0.83 -1.54 -1.14 0.00 0.00 176.83 173.74 1wgv n SER 54 N -4.18 -0.79 0.00 3.07 3.41 -1.26 0.16 113.62 114.03 1wgv n SER 54 Ca 0.17 -3.31 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 1wgv n SER 54 Cb 0.92 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 65.48 1wgv n SER 54 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wgv n SER 55 N 0.46 0.00 -4.05 4.04 3.41 -1.12 -3.78 113.62 112.58 1wgv n SER 55 Ca 0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.63 1wgv n SER 55 Cb 0.67 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.50 1wgv n SER 55 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1wgv s ILE 56 N -0.90 0.54 -0.03 -1.33 -1.16 -1.02 -0.45 121.20 116.85 1wgv s ILE 56 Ca 0.00 -0.99 0.01 0.00 -0.51 0.00 0.00 60.65 59.15 1wgv s ILE 56 Cb 0.00 -0.59 0.03 0.00 0.61 0.00 0.00 42.46 42.50 1wgv s ILE 56 CO 0.00 -0.32 -0.01 -0.60 -2.81 0.00 0.00 174.94 171.19 1wgv s ARG 57 N -1.43 0.46 -0.04 3.50 3.52 -0.70 -1.67 118.95 122.60 1wgv s ARG 57 Ca -0.08 0.03 0.02 0.00 -0.13 0.00 0.00 55.73 55.56 1wgv s ARG 57 Cb -0.09 -0.60 0.01 0.00 -1.56 0.00 0.00 34.95 32.71 1wgv s ARG 57 CO 0.00 -0.13 -0.08 0.08 -0.81 0.00 0.00 175.30 174.37 1wgv s VAL 58 N 1.03 0.73 -0.05 7.11 1.01 0.49 -1.61 120.40 129.11 1wgv s VAL 58 Ca -0.10 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1wgv s VAL 58 Cb -0.14 -0.68 0.07 0.00 0.00 0.00 0.00 36.38 35.63 1wgv s VAL 58 CO -0.01 0.25 0.66 0.00 0.00 0.00 0.00 175.10 175.99 1wgv s ALA 59 N 0.48 -1.71 -0.05 5.51 0.00 -0.79 -1.99 121.76 123.20 1wgv s ALA 59 Ca -0.07 1.27 0.03 0.00 0.00 0.00 0.00 51.96 53.18 1wgv s ALA 59 Cb -0.11 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.00 1wgv s ALA 59 CO 0.01 -0.36 -0.14 0.00 0.00 0.00 0.00 175.76 175.27 1wgv s MET 60 N -1.18 1.67 0.33 0.00 0.23 0.21 0.20 119.30 120.76 1wgv s MET 60 Ca -0.11 -0.47 -0.29 0.00 -1.03 0.00 0.00 55.69 53.79 1wgv s MET 60 Cb -0.00 -1.41 -0.11 0.00 -1.53 0.00 0.00 34.83 31.78 1wgv s MET 60 CO 0.10 0.11 1.47 -0.51 -2.03 0.00 0.00 175.02 174.15 1wgv s LEU 61 N 0.41 4.36 0.00 0.18 1.43 0.51 -0.68 118.68 124.88 1wgv s LEU 61 Ca -0.10 2.90 0.03 0.00 -1.03 0.00 0.00 54.13 55.93 1wgv s LEU 61 Cb -0.14 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.46 1wgv s LEU 61 CO 0.03 -0.79 0.25 -0.62 0.23 0.00 0.00 176.35 175.45 1wgv n GLU 62 N 1.22 1.02 0.04 1.70 -0.58 0.53 -4.86 120.64 119.72 1wgv n GLU 62 Ca 0.03 -1.60 -0.03 0.00 -0.42 0.00 0.00 57.16 55.14 1wgv n GLU 62 Cb 0.39 0.10 0.20 0.00 -0.57 0.00 0.00 31.44 31.56 1wgv n GLU 62 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1wgv h GLU 63 N 0.00 0.39 -1.81 3.49 5.08 -1.98 -3.30 114.58 116.46 1wgv h GLU 63 Ca -0.16 -0.17 -0.48 0.00 -1.00 0.00 0.00 59.36 57.55 1wgv h GLU 63 Cb 0.61 -0.01 -0.40 0.00 0.50 0.00 0.00 28.75 29.44 1wgv h GLU 63 CO 0.24 0.69 -1.09 -1.71 -1.00 0.00 0.00 179.01 176.14 1wgv n ASN 64 N -4.07 1.71 0.00 1.42 5.15 -1.26 -5.07 115.26 113.14 1wgv n ASN 64 Ca -0.01 -3.09 0.00 0.00 -0.60 0.00 0.00 54.58 50.88 1wgv n ASN 64 Cb 0.45 -0.58 0.00 0.00 -0.53 0.00 0.00 39.78 39.12 1wgv n ASN 64 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wgv n GLY 65 N 0.09 0.38 3.78 8.20 0.00 -1.24 -5.12 105.19 111.28 1wgv n GLY 65 Ca 0.23 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 1wgv n GLY 65 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wgv s GLU 66 N -0.69 2.22 -0.09 1.61 1.03 -1.26 0.20 118.70 121.72 1wgv s GLU 66 Ca 0.00 -1.47 -0.13 0.00 0.03 0.00 0.00 54.97 53.40 1wgv s GLU 66 Cb 0.00 0.61 0.03 0.00 -0.80 0.00 0.00 34.13 33.97 1wgv s GLU 66 CO 0.00 -1.03 0.34 0.50 -1.33 0.00 0.00 175.26 173.73 1wgv s ARG 67 N -2.34 0.50 -0.64 -4.83 3.52 0.14 -4.74 118.95 110.56 1wgv s ARG 67 Ca 0.17 0.25 -0.19 0.00 -0.13 0.00 0.00 55.73 55.83 1wgv s ARG 67 Cb -0.05 0.23 0.11 0.00 -1.56 0.00 0.00 34.95 33.69 1wgv s ARG 67 CO 0.12 -0.09 0.75 0.08 -0.81 0.00 0.00 175.30 175.35 1wgv s VAL 68 N -0.33 4.85 0.05 7.11 1.01 -1.26 0.68 120.40 132.50 1wgv s VAL 68 Ca -0.05 -1.12 -0.27 0.00 0.00 0.00 0.00 61.98 60.54 1wgv s VAL 68 Cb -0.03 -4.52 -0.17 0.00 0.00 0.00 0.00 36.38 31.65 1wgv s VAL 68 CO 0.02 -1.17 1.51 -0.07 0.00 0.00 0.00 175.10 175.39 1wgv h LEU 69 N 9.91 -0.35 -8.19 3.92 3.38 -1.74 -3.46 115.31 118.78 1wgv h LEU 69 Ca -0.23 -0.08 -0.20 0.00 0.09 0.00 0.00 57.88 57.46 1wgv h LEU 69 Cb 1.08 0.09 -0.18 0.00 0.09 0.00 0.00 40.66 41.73 1wgv h LEU 69 CO 1.08 -0.13 -0.70 -0.32 0.09 0.00 0.00 178.44 178.45 1wgv s MET 70 N -5.52 0.55 0.00 1.13 0.00 -1.12 -4.70 119.30 109.64 1wgv s MET 70 Ca -0.15 -0.94 0.00 0.00 0.00 0.00 0.00 55.69 54.60 1wgv s MET 70 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 34.83 34.81 1wgv s MET 70 CO 0.61 -0.03 0.00 -1.91 0.00 0.00 0.00 175.02 173.69 1wgv n GLU 71 N 0.88 0.00 0.00 4.11 2.13 -1.26 0.19 120.64 126.69 1wgv n GLU 71 Ca -0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.63 1wgv n GLU 71 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 1wgv n GLU 71 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wgv n GLY 72 N -0.47 3.96 3.67 8.31 0.00 -0.67 -5.00 105.19 114.98 1wgv n GLY 72 Ca 0.00 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 1wgv n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wgv s LYS 73 N -2.65 4.26 1.04 1.61 -2.85 -1.26 -2.44 119.74 117.45 1wgv s LYS 73 Ca 0.00 1.61 -0.12 0.00 -1.00 0.00 0.00 55.97 56.45 1wgv s LYS 73 Cb 0.00 -3.71 0.18 0.00 -2.06 0.00 0.00 37.83 32.24 1wgv s LYS 73 CO 0.00 -0.64 0.86 1.28 0.10 0.00 0.00 175.35 176.95 1wgv n LEU 74 N 6.29 0.40 -0.03 2.77 4.77 -1.25 -1.89 117.00 128.06 1wgv n LEU 74 Ca 0.13 0.13 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 1wgv n LEU 74 Cb 0.45 -1.30 -0.10 0.00 -2.33 0.00 0.00 43.42 40.15 1wgv n LEU 74 CO 0.55 -2.90 0.47 0.71 -1.33 0.00 0.00 177.39 174.89 1wgv h THR 75 N -2.17 1.46 -2.43 -5.08 1.35 -1.76 -3.39 112.91 100.88 1wgv h THR 75 Ca -0.51 -1.67 -0.54 0.00 -0.55 0.00 0.00 66.41 63.14 1wgv h THR 75 Cb 1.31 2.41 -0.13 0.00 -1.73 0.00 0.00 68.15 70.00 1wgv h THR 75 CO 0.43 0.47 -0.55 -1.00 -0.25 0.00 0.00 175.52 174.61 1wgv s HIS 76 N -3.62 1.88 0.98 4.73 3.76 -1.26 -4.97 115.29 116.79 1wgv s HIS 76 Ca -0.15 -1.10 -0.12 0.00 -0.15 0.00 0.00 55.06 53.53 1wgv s HIS 76 Cb 0.02 -1.27 0.18 0.00 1.11 0.00 0.00 32.58 32.62 1wgv s HIS 76 CO 0.74 -0.10 1.10 0.15 -0.85 0.00 0.00 174.74 175.78 1wgv s LYS 77 N -3.80 0.59 0.00 1.40 -0.14 -1.26 -4.64 119.74 111.89 1wgv s LYS 77 Ca 0.27 0.52 0.00 0.00 -1.36 0.00 0.00 55.97 55.40 1wgv s LYS 77 Cb 0.05 -1.75 0.00 0.00 -1.68 0.00 0.00 37.83 34.45 1wgv s LYS 77 CO 0.14 -2.63 0.00 0.44 -0.76 0.00 0.00 175.35 172.54 1wgv n ILE 78 N -4.10 0.00 -3.94 2.17 -6.64 0.42 -4.12 119.36 103.15 1wgv n ILE 78 Ca 0.05 0.00 -0.30 0.00 -1.77 0.00 0.00 62.75 60.74 1wgv n ILE 78 Cb 0.57 0.00 -0.14 0.00 -1.44 0.00 0.00 39.64 38.63 1wgv n ILE 78 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 1wgv s ASN 79 N -0.28 4.32 0.57 7.28 3.84 -0.69 -4.69 114.94 125.30 1wgv s ASN 79 Ca 0.00 -3.07 0.30 0.00 0.21 0.00 0.00 52.86 50.31 1wgv s ASN 79 Cb 0.00 -1.62 1.72 0.00 -0.55 0.00 0.00 41.25 40.81 1wgv s ASN 79 CO 0.00 -0.22 2.19 0.71 -2.79 0.00 0.00 177.10 176.99 1wgv h THR 80 N 5.40 0.47 0.12 -5.21 1.35 -1.90 0.78 112.91 113.92 1wgv h THR 80 Ca -0.06 -0.24 -0.01 0.00 -0.55 0.00 0.00 66.41 65.55 1wgv h THR 80 Cb 0.88 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1wgv h THR 80 CO 0.68 0.05 -0.06 -0.33 -0.25 0.00 0.00 175.52 175.62 1wgv h GLU 81 N 0.00 -0.16 -0.00 4.72 5.08 -1.99 -3.25 114.58 118.97 1wgv h GLU 81 Ca -0.00 0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1wgv h GLU 81 Cb 0.15 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1wgv h GLU 81 CO 0.01 0.29 -0.75 0.77 -1.00 0.00 0.00 179.01 178.32 1wgv h SER 82 N -0.69 0.06 -4.21 1.42 0.02 -1.87 -3.45 113.55 104.83 1wgv h SER 82 Ca -0.02 -0.05 -0.51 0.00 -0.84 0.00 0.00 61.79 60.38 1wgv h SER 82 Cb 0.52 -0.02 0.17 0.00 0.14 0.00 0.00 62.40 63.21 1wgv h SER 82 CO 0.03 0.79 0.24 -0.44 -1.14 0.00 0.00 176.83 176.31 1wgv s SER 83 N -6.83 3.36 0.37 3.07 0.01 0.27 -4.94 113.70 109.00 1wgv s SER 83 Ca -0.01 1.98 -0.06 0.00 1.31 0.00 0.00 55.95 59.17 1wgv s SER 83 Cb 0.12 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.86 1wgv s SER 83 CO 0.79 -2.79 0.59 -1.48 0.41 0.00 0.00 173.24 170.76 1wgv s LEU 84 N -6.39 0.72 -0.30 2.44 0.05 -1.14 -4.89 118.68 109.18 1wgv s LEU 84 Ca 0.65 -1.42 -0.13 0.00 0.05 0.00 0.00 54.13 53.28 1wgv s LEU 84 Cb -0.21 1.93 0.14 0.00 -2.05 0.00 0.00 46.19 46.00 1wgv s LEU 84 CO 0.58 -1.45 0.81 -1.66 -0.55 0.00 0.00 176.35 174.08 1wgv s TRP 85 N -2.70 -0.97 -0.09 3.48 1.48 -1.26 -1.68 118.94 117.19 1wgv s TRP 85 Ca 0.26 1.76 0.03 0.00 -1.06 0.00 0.00 56.10 57.08 1wgv s TRP 85 Cb -0.02 0.58 0.01 0.00 -1.16 0.00 0.00 33.47 32.88 1wgv s TRP 85 CO 0.18 -0.48 -0.18 -1.12 -4.06 0.00 0.00 176.95 171.29 1wgv s SER 86 N 2.32 2.45 0.07 -2.66 0.01 0.09 -5.00 113.70 110.97 1wgv s SER 86 Ca -0.06 -0.43 -0.18 0.00 1.31 0.00 0.00 55.95 56.59 1wgv s SER 86 Cb -0.08 -1.12 -0.07 0.00 0.21 0.00 0.00 66.02 64.97 1wgv s SER 86 CO -0.18 0.08 0.54 -0.22 0.41 0.00 0.00 173.24 173.87 1wgv s LEU 87 N 0.60 4.50 -0.06 2.44 1.98 -1.26 -1.58 118.68 125.29 1wgv s LEU 87 Ca -0.15 1.20 0.05 0.00 -2.89 0.00 0.00 54.13 52.34 1wgv s LEU 87 Cb -0.17 -2.90 -0.01 0.00 0.66 0.00 0.00 46.19 43.78 1wgv s LEU 87 CO 0.05 0.26 -0.23 -1.61 -1.89 0.00 0.00 176.35 172.92 1wgv s GLU 88 N -1.22 2.51 -0.10 1.98 2.02 -1.11 -5.00 118.70 117.79 1wgv s GLU 88 Ca 0.29 -0.85 -0.30 0.00 0.02 0.00 0.00 54.97 54.14 1wgv s GLU 88 Cb -0.18 -2.08 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 1wgv s GLU 88 CO 0.18 0.31 1.25 -1.25 0.02 0.00 0.00 175.26 175.77 1wgv s PRO 89 N -0.02 4.29 -1.17 0.39 0.04 -1.26 -3.56 135.00 133.71 1wgv s PRO 89 Ca -0.07 1.69 -0.06 0.00 0.04 0.00 0.00 61.00 62.60 1wgv s PRO 89 Cb -0.14 -3.66 -0.02 0.00 0.04 0.00 0.00 34.50 30.72 1wgv s PRO 89 CO 0.04 -0.57 0.85 0.41 0.04 0.00 0.00 177.00 177.77 1wgv n GLY 90 N 3.50 -0.72 0.00 0.56 0.00 -0.76 -4.88 105.19 102.88 1wgv n GLY 90 Ca 0.12 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -3.89 0.00 -3.84 1.61 5.02 -1.23 -4.98 118.16 110.85 1wgv n LYS 91 Ca -0.18 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.05 1wgv n LYS 91 Cb 0.64 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.67 1wgv n LYS 91 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wgv s VAL 93 N -2.43 4.76 -0.18 0.00 1.01 0.51 -2.75 120.40 121.31 1wgv s VAL 93 Ca 0.18 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 1wgv s VAL 93 Cb -0.04 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1wgv s VAL 93 CO 0.07 0.46 0.06 -0.22 0.00 0.00 0.00 175.10 175.48 1wgv s LEU 94 N 0.37 3.84 0.02 3.92 1.98 -0.61 -1.43 118.68 126.76 1wgv s LEU 94 Ca 0.03 0.09 0.02 0.00 -2.89 0.00 0.00 54.13 51.38 1wgv s LEU 94 Cb -0.12 -1.97 -0.01 0.00 0.66 0.00 0.00 46.19 44.74 1wgv s LEU 94 CO 0.00 0.18 -0.07 -0.69 -1.89 0.00 0.00 176.35 173.88 1wgv s VAL 95 N 0.36 0.48 -0.08 1.68 1.01 -1.12 -0.73 120.40 121.99 1wgv s VAL 95 Ca 0.03 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1wgv s VAL 95 Cb -0.12 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.79 1wgv s VAL 95 CO -0.00 -0.13 -0.16 0.20 0.00 0.00 0.00 175.10 175.01 1wgv s ASN 96 N -0.84 2.27 -0.15 3.32 0.01 -0.68 -3.44 114.94 115.43 1wgv s ASN 96 Ca -0.04 -0.40 0.02 0.00 -0.71 0.00 0.00 52.86 51.73 1wgv s ASN 96 Cb -0.06 -1.04 0.02 0.00 0.41 0.00 0.00 41.25 40.57 1wgv s ASN 96 CO 0.00 0.07 -0.19 -0.76 -1.51 0.00 0.00 177.10 174.71 1wgv s LEU 97 N 0.58 2.01 -0.60 0.60 1.43 -1.08 -2.87 118.68 118.75 1wgv s LEU 97 Ca -0.15 -0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 52.19 1wgv s LEU 97 Cb -0.16 -1.37 0.12 0.00 0.03 0.00 0.00 46.19 44.80 1wgv s LEU 97 CO 0.05 0.03 0.66 -0.55 0.23 0.00 0.00 176.35 176.77 1wgv s SER 98 N 1.07 6.24 -0.71 2.29 0.15 -1.26 -2.66 113.70 118.81 1wgv s SER 98 Ca -0.02 -1.64 -0.26 0.00 0.70 0.00 0.00 55.95 54.73 1wgv s SER 98 Cb -0.14 -2.27 -0.09 0.00 -1.71 0.00 0.00 66.02 61.80 1wgv s SER 98 CO -0.06 -1.00 2.29 -1.59 1.20 0.00 0.00 173.24 174.07 1wgv s LYS 99 N 2.20 1.97 0.39 5.44 -2.85 -1.26 -1.70 119.74 123.93 1wgv s LYS 99 Ca 0.10 0.62 -0.23 0.00 -1.00 0.00 0.00 55.97 55.46 1wgv s LYS 99 Cb -0.24 -4.74 -0.14 0.00 -2.06 0.00 0.00 37.83 30.65 1wgv s LYS 99 CO 0.04 -3.83 0.47 1.33 0.10 0.00 0.00 175.35 173.47 1wgv n VAL 100 N 8.30 1.58 -4.23 1.79 0.24 -1.26 -4.53 118.33 120.22 1wgv n VAL 100 Ca 0.41 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1wgv n VAL 100 Cb 0.48 -0.41 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 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 1.89 0.99 2.91 7.63 0.00 -1.26 -4.32 105.19 113.03 1wgv n GLY 101 Ca 0.12 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 1wgv n GLY 101 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wgv s GLU 102 N 0.00 1.60 0.03 1.61 -1.05 -1.26 -5.09 118.70 114.54 1wgv s GLU 102 Ca 0.00 -2.17 0.05 0.00 -0.15 0.00 0.00 54.97 52.70 1wgv s GLU 102 Cb 0.00 -3.00 -0.02 0.00 -0.44 0.00 0.00 34.13 30.67 1wgv s GLU 102 CO 0.00 -1.06 -0.15 0.71 0.95 0.00 0.00 175.26 175.71 1wgv s TYR 103 N 0.33 1.30 0.04 4.83 1.51 -1.26 -5.11 117.35 118.98 1wgv s TYR 103 Ca 0.15 -0.32 -0.30 0.00 -1.01 0.00 0.00 57.07 55.58 1wgv s TYR 103 Cb -0.23 -0.79 -0.05 0.00 -0.11 0.00 0.00 41.96 40.78 1wgv s TYR 103 CO -0.04 0.03 1.22 1.67 -1.11 0.00 0.00 175.55 177.31 1wgv s TRP 104 N -0.71 3.35 -0.69 2.71 -2.14 -1.26 -4.97 118.94 115.22 1wgv s TRP 104 Ca 0.03 1.24 -0.02 0.00 2.66 0.00 0.00 56.10 60.01 1wgv s TRP 104 Cb -0.07 -3.45 0.18 0.00 -3.10 0.00 0.00 33.47 27.02 1wgv s TRP 104 CO 0.01 -1.41 0.52 -1.58 -2.66 0.00 0.00 176.95 171.83 1wgv s TRP 105 N 1.35 3.51 -0.39 1.66 0.52 -1.26 -4.87 118.94 119.45 1wgv s TRP 105 Ca 0.59 -2.81 0.08 0.00 0.02 0.00 0.00 56.10 53.98 1wgv s TRP 105 Cb -0.29 -3.19 0.58 0.00 -1.15 0.00 0.00 33.47 29.42 1wgv s TRP 105 CO 0.28 -0.81 1.55 0.09 0.02 0.00 0.00 176.95 178.08 1wgv n ASN 106 N 3.16 4.23 0.00 2.95 4.13 -1.26 -4.85 115.26 123.62 1wgv n ASN 106 Ca 0.11 -2.90 0.00 0.00 1.68 0.00 0.00 54.58 53.47 1wgv n ASN 106 Cb 0.38 -0.69 0.00 0.00 -1.54 0.00 0.00 39.78 37.93 1wgv n ASN 106 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wgv n ALA 107 N 0.02 0.00 0.06 5.41 0.00 -1.26 -1.07 120.51 123.66 1wgv n ALA 107 Ca 0.30 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.63 1wgv n ALA 107 Cb 1.13 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.51 1wgv n ALA 107 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1wgv h ILE 108 N 0.00 0.87 -1.93 0.00 1.08 -1.88 -3.42 117.51 112.23 1wgv h ILE 108 Ca 0.00 -1.09 -0.47 0.00 -0.39 0.00 0.00 64.86 62.91 1wgv h ILE 108 Cb 0.00 1.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 1wgv h ILE 108 CO 0.00 0.22 -0.41 -0.76 -0.69 0.00 0.00 178.15 176.51 1wgv s LEU 109 N -9.04 3.91 0.27 1.44 1.43 -1.26 -2.70 118.68 112.73 1wgv s LEU 109 Ca -0.13 -0.23 0.26 0.00 -1.03 0.00 0.00 54.13 52.99 1wgv s LEU 109 Cb 0.01 -2.58 0.83 0.00 0.03 0.00 0.00 46.19 44.48 1wgv s LEU 109 CO 0.49 -0.30 1.75 -0.33 0.23 0.00 0.00 176.35 178.20 1wgv h GLU 110 N 1.11 0.00 0.00 1.70 4.39 -1.58 -2.97 114.58 117.22 1wgv h GLU 110 Ca -0.47 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.15 1wgv h GLU 110 Cb 1.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 1wgv h GLU 110 CO 0.57 0.00 -0.40 0.78 -1.16 0.00 0.00 179.01 178.80 1wgv h GLY 111 N 3.77 0.00 -6.56 -3.84 0.00 -1.95 -3.42 103.07 91.07 1wgv h GLY 111 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1wgv h GLY 111 CO 0.00 0.00 0.16 1.85 0.00 0.00 0.00 176.54 178.55 1wgv s GLU 112 N -3.32 4.02 1.05 4.80 2.56 -1.12 -5.04 118.70 121.64 1wgv s GLU 112 Ca 0.02 0.43 -0.16 0.00 0.00 0.00 0.00 54.97 55.27 1wgv s GLU 112 Cb 0.09 -3.68 0.08 0.00 2.00 0.00 0.00 34.13 32.62 1wgv s GLU 112 CO 0.70 -0.48 0.23 0.39 -0.56 0.00 0.00 175.26 175.54 1wgv n GLU 113 N 5.79 -1.07 -2.34 4.30 -0.58 -1.26 -4.75 120.64 120.72 1wgv n GLU 113 Ca -0.01 -0.28 -0.42 0.00 -0.42 0.00 0.00 57.16 56.03 1wgv n GLU 113 Cb 0.49 -1.79 -0.02 0.00 -0.57 0.00 0.00 31.44 29.54 1wgv n GLU 113 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1wgv s PRO 114 N -3.58 3.42 1.03 3.49 0.04 -1.26 -4.65 135.00 133.49 1wgv s PRO 114 Ca 0.57 0.75 -0.22 0.00 0.04 0.00 0.00 61.00 62.14 1wgv s PRO 114 Cb -0.16 -4.08 -0.08 0.00 0.04 0.00 0.00 34.50 30.21 1wgv s PRO 114 CO 0.67 -1.77 -0.79 0.44 0.04 0.00 0.00 177.00 175.59 1wgv n ILE 115 N 7.02 0.00 -0.04 0.56 -5.35 -0.24 -4.94 119.36 116.36 1wgv n ILE 115 Ca 0.15 -0.19 -0.05 0.00 -0.27 0.00 0.00 62.75 62.39 1wgv n ILE 115 Cb 0.49 -0.23 -0.06 0.00 -1.74 0.00 0.00 39.64 38.09 1wgv n ILE 115 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1wgv n ASP 116 N 1.55 3.07 -4.66 7.28 2.03 -1.26 -4.92 116.55 119.63 1wgv n ASP 116 Ca -0.00 -0.01 -0.42 0.00 0.52 0.00 0.00 54.79 54.87 1wgv n ASP 116 Cb 0.66 0.47 -0.03 0.00 -0.72 0.00 0.00 41.12 41.50 1wgv n ASP 116 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1wgv s ILE 117 N -2.20 3.30 -0.22 5.18 1.09 -1.26 -3.92 121.20 123.17 1wgv s ILE 117 Ca -0.07 0.41 -0.06 0.00 -1.10 0.00 0.00 60.65 59.84 1wgv s ILE 117 Cb 0.03 -3.26 0.02 0.00 -1.06 0.00 0.00 42.46 38.18 1wgv s ILE 117 CO 0.30 -0.03 0.11 -0.67 -0.10 0.00 0.00 174.94 174.55 1wgv n ASP 118 N 7.15 -4.53 0.16 3.58 -0.08 -1.26 -4.96 116.55 116.62 1wgv n ASP 118 Ca 0.18 1.31 -0.08 0.00 -1.51 0.00 0.00 54.79 54.70 1wgv n ASP 118 Cb 0.42 -4.87 -0.04 0.00 2.34 0.00 0.00 41.12 38.98 1wgv n ASP 118 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1wgv h SER 119 N 3.69 -0.42 -5.16 1.67 0.02 -1.92 -3.48 113.55 107.95 1wgv h SER 119 Ca -0.26 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.59 1wgv h SER 119 Cb 0.64 0.11 -0.16 0.00 0.14 0.00 0.00 62.40 63.12 1wgv h SER 119 CO 0.05 0.00 -0.61 -0.83 -1.14 0.00 0.00 176.83 174.30 1wgv s GLY 120 N -2.92 0.33 -0.07 -3.77 0.00 -1.26 -4.90 107.32 94.73 1wgv s GLY 120 Ca -0.07 -0.91 -0.20 0.00 0.00 0.00 0.00 44.72 43.54 1wgv s GLY 120 CO 0.22 -1.03 0.77 -0.56 0.00 0.00 0.00 173.10 172.50 1wgv h PRO 121 N 3.41 -0.13 -4.85 2.90 0.13 -1.98 -3.49 132.00 127.99 1wgv h PRO 121 Ca -0.33 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1wgv h PRO 121 Cb 1.17 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wgv h PRO 121 CO 0.58 0.37 -0.58 0.45 -0.23 0.00 0.00 178.00 178.59 1wgv n SER 122 N -4.84 -7.00 0.08 1.44 2.88 -1.26 -5.03 113.62 99.90 1wgv n SER 122 Ca -0.07 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1wgv n SER 122 Cb 0.28 -4.65 0.00 0.00 -0.75 0.00 0.00 64.21 59.08 1wgv n SER 122 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wgv n SER 123 N 0.03 0.42 0.00 -3.46 7.64 -1.26 -5.30 113.62 111.68 1wgv n SER 123 Ca 0.06 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1wgv n SER 123 Cb 0.23 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1wgv n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64