#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 -6.66 -4.64 1.61 2.88 -1.26 -4.82 113.62 100.73 1wgv n SER 2 Ca 0.00 1.47 -0.40 0.00 -1.33 0.00 0.00 58.87 58.61 1wgv n SER 2 Cb 0.00 -3.81 -0.07 0.00 -0.75 0.00 0.00 64.21 59.58 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 -4.98 6.56 0.00 -3.46 1.04 -1.26 -4.77 113.70 106.82 1wgv s SER 3 Ca 0.00 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1wgv s SER 3 Cb 0.00 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.81 1wgv s SER 3 CO 0.00 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1wgv n GLY 4 N 4.05 0.66 5.00 7.32 0.00 -1.26 -5.04 105.19 115.91 1wgv n GLY 4 Ca -0.03 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 -4.86 1.61 7.64 -1.26 -4.80 113.62 111.94 1wgv n SER 5 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1wgv n SER 5 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1wgv n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wgv s SER 6 N 0.00 6.62 0.00 6.43 1.04 -1.26 -4.95 113.70 121.58 1wgv s SER 6 Ca 0.00 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.17 1wgv s SER 6 Cb 0.00 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.96 1wgv s SER 6 CO 0.00 0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.11 1wgv n GLY 7 N 1.41 -1.89 1.16 7.32 0.00 -1.26 -5.12 105.19 106.82 1wgv n GLY 7 Ca -0.13 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.90 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 -3.06 -1.68 1.61 -0.06 -1.26 -4.90 117.38 108.04 1wgv n GLN 8 Ca 0.00 2.37 -0.32 0.00 -2.00 0.00 0.00 57.00 57.05 1wgv n GLN 8 Cb 0.00 -2.95 0.05 0.00 -4.06 0.00 0.00 30.24 23.27 1wgv n GLN 8 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 1wgv s LYS 9 N -5.03 2.81 -0.00 3.69 2.47 -1.26 -5.07 119.74 117.36 1wgv s LYS 9 Ca 0.00 1.23 -0.14 0.00 -1.56 0.00 0.00 55.97 55.49 1wgv s LYS 9 Cb 0.00 -1.96 0.02 0.00 -1.46 0.00 0.00 37.83 34.43 1wgv s LYS 9 CO 0.00 -1.22 0.30 -0.80 0.16 0.00 0.00 175.35 173.80 1wgv s ASN 10 N -3.01 -0.17 0.75 1.43 0.01 -1.26 -5.17 114.94 107.52 1wgv s ASN 10 Ca 0.63 0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.80 1wgv s ASN 10 Cb -0.18 0.32 0.00 0.00 0.41 0.00 0.00 41.25 41.80 1wgv s ASN 10 CO 0.46 -0.48 0.00 -0.81 -1.51 0.00 0.00 177.10 174.76 1wgv n PRO 11 N 1.12 -0.13 0.14 -0.60 -0.04 -1.26 -4.96 135.00 129.28 1wgv n PRO 11 Ca -0.21 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.12 1wgv n PRO 11 Cb 0.57 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.95 1wgv n PRO 11 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1wgv h ASP 12 N -0.37 -1.18 -3.70 3.54 5.19 -2.07 -3.43 116.42 114.39 1wgv h ASP 12 Ca 0.00 0.11 -0.31 0.00 -0.62 0.00 0.00 57.03 56.21 1wgv h ASP 12 Cb 0.00 0.42 -0.30 0.00 0.18 0.00 0.00 39.33 39.63 1wgv h ASP 12 CO 0.00 -0.47 -0.74 -0.44 -3.12 0.00 0.00 179.24 174.47 1wgv s SER 13 N -4.05 0.40 -0.03 6.45 0.01 -1.26 -5.14 113.70 110.07 1wgv s SER 13 Ca -0.13 -0.05 -0.01 0.00 1.31 0.00 0.00 55.95 57.07 1wgv s SER 13 Cb 0.04 -0.12 0.03 0.00 0.21 0.00 0.00 66.02 66.18 1wgv s SER 13 CO 0.47 -0.01 0.07 -0.47 0.41 0.00 0.00 173.24 173.70 1wgv s TYR 14 N 0.35 -0.05 0.00 2.43 5.04 -1.26 -4.95 117.35 118.91 1wgv s TYR 14 Ca -0.03 0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.82 1wgv s TYR 14 Cb -0.06 -0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.12 1wgv s TYR 14 CO -0.01 -0.09 0.00 0.09 -1.34 0.00 0.00 175.55 174.20 1wgv n ASN 15 N 3.90 0.00 0.00 4.32 4.13 -1.26 -5.06 115.26 121.28 1wgv n ASN 15 Ca -0.23 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.03 1wgv n ASN 15 Cb 0.53 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.77 1wgv n ASN 15 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wgv n GLY 16 N 0.00 1.18 3.95 7.41 0.00 -1.26 -5.01 105.19 111.47 1wgv n GLY 16 Ca 0.00 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.39 3.78 -0.18 4.61 0.00 -1.26 -4.96 121.76 122.37 1wgv s ALA 17 Ca 0.00 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 1wgv s ALA 17 Cb 0.00 -2.01 0.09 0.00 0.00 0.00 0.00 23.12 21.19 1wgv s ALA 17 CO 0.00 -0.01 0.32 0.08 0.00 0.00 0.00 175.76 176.15 1wgv s VAL 18 N -2.27 -0.50 0.38 0.00 1.01 -1.26 -4.69 120.40 113.08 1wgv s VAL 18 Ca 0.40 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.52 1wgv s VAL 18 Cb -0.09 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1wgv s VAL 18 CO 0.35 0.02 0.60 -0.60 0.00 0.00 0.00 175.10 175.47 1wgv s ARG 19 N 2.48 3.44 -0.13 2.72 3.00 -1.26 -5.04 118.95 124.17 1wgv s ARG 19 Ca 0.03 -0.28 -0.14 0.00 -1.00 0.00 0.00 55.73 54.34 1wgv s ARG 19 Cb -0.13 -2.61 -0.12 0.00 0.00 0.00 0.00 34.95 32.09 1wgv s ARG 19 CO -0.11 0.05 0.31 1.49 0.00 0.00 0.00 175.30 177.04 1wgv h GLU 20 N 0.64 0.00 -0.38 5.12 4.81 -2.01 -3.34 114.58 119.42 1wgv h GLU 20 Ca -0.49 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 58.80 1wgv h GLU 20 Cb 1.22 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.52 1wgv h GLU 20 CO 0.61 0.48 -0.50 -0.97 -0.73 0.00 0.00 179.01 177.90 1wgv h ASN 21 N -1.00 -1.64 -3.40 1.04 -1.24 -1.96 -3.42 115.58 103.96 1wgv h ASN 21 Ca -0.03 0.23 -0.18 0.00 0.71 0.00 0.00 56.30 57.03 1wgv h ASN 21 Cb 0.54 0.69 -0.29 0.00 0.73 0.00 0.00 38.32 39.99 1wgv h ASN 21 CO -0.02 -0.40 -0.45 -0.72 -1.29 0.00 0.00 177.43 174.56 1wgv s TYR 22 N -5.75 -0.36 0.48 0.67 -0.85 -1.26 -4.60 117.35 105.67 1wgv s TYR 22 Ca -0.15 0.84 -0.07 0.00 -0.52 0.00 0.00 57.07 57.18 1wgv s TYR 22 Cb 0.10 0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.48 1wgv s TYR 22 CO 0.63 -0.24 0.80 0.99 -1.52 0.00 0.00 175.55 176.22 1wgv s THR 23 N 1.13 4.87 0.12 -3.49 2.01 -1.12 -4.04 115.64 115.13 1wgv s THR 23 Ca -0.08 0.33 -0.24 0.00 0.31 0.00 0.00 61.69 62.01 1wgv s THR 23 Cb -0.09 -3.84 0.08 0.00 0.01 0.00 0.00 72.50 68.65 1wgv s THR 23 CO -0.08 -0.81 0.69 -1.66 -0.69 0.00 0.00 174.62 172.07 1wgv s TRP 24 N -2.71 -0.46 0.11 4.92 1.48 -1.26 -2.04 118.94 118.98 1wgv s TRP 24 Ca 0.49 0.25 -0.17 0.00 -1.06 0.00 0.00 56.10 55.61 1wgv s TRP 24 Cb -0.10 0.57 0.04 0.00 -1.16 0.00 0.00 33.47 32.81 1wgv s TRP 24 CO 0.43 -0.79 0.42 -1.54 -4.06 0.00 0.00 176.95 171.40 1wgv s SER 25 N -2.70 -0.27 -0.13 -2.66 1.04 -0.96 -4.77 113.70 103.26 1wgv s SER 25 Ca 0.03 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.22 1wgv s SER 25 Cb -0.01 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 1wgv s SER 25 CO -0.10 -0.81 -0.07 0.00 0.98 0.00 0.00 173.24 173.24 1wgv s GLN 26 N -3.47 3.42 0.51 4.02 -2.07 -1.26 -2.24 119.66 118.57 1wgv s GLN 26 Ca 0.01 -0.57 0.02 0.00 -1.82 0.00 0.00 55.36 53.00 1wgv s GLN 26 Cb 0.01 -2.78 0.02 0.00 -1.09 0.00 0.00 33.01 29.17 1wgv s GLN 26 CO -0.10 0.32 0.16 -0.25 -1.32 0.00 0.00 175.29 174.10 1wgv n ASP 27 N 3.27 3.10 -0.37 12.60 8.00 -0.02 -5.02 116.55 138.12 1wgv n ASP 27 Ca -0.18 -3.03 0.02 0.00 0.71 0.00 0.00 54.79 52.32 1wgv n ASP 27 Cb 0.53 0.19 0.08 0.00 -0.02 0.00 0.00 41.12 41.90 1wgv n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wgv n TYR 28 N -1.44 0.18 -2.86 1.24 4.19 -1.26 -3.68 117.16 113.52 1wgv n TYR 28 Ca -0.13 1.20 -0.12 0.00 3.31 0.00 0.00 57.90 62.16 1wgv n TYR 28 Cb 0.62 -0.96 0.02 0.00 0.49 0.00 0.00 39.34 39.51 1wgv n TYR 28 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 1wgv n THR 29 N -5.51 -0.16 0.00 2.97 5.66 -1.26 -4.97 114.28 111.01 1wgv n THR 29 Ca 0.13 -2.15 0.00 0.00 -3.05 0.00 0.00 64.05 58.97 1wgv n THR 29 Cb 0.44 0.67 0.00 0.00 -1.55 0.00 0.00 70.33 69.89 1wgv n THR 29 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1wgv n ASP 30 N 1.45 0.00 -4.23 1.09 8.00 -1.24 -4.66 116.55 116.96 1wgv n ASP 30 Ca 0.12 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.47 1wgv n ASP 30 Cb 0.61 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.61 1wgv n ASP 30 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wgv s LEU 31 N 0.00 2.48 -0.28 0.64 1.02 -1.21 -0.84 118.68 120.50 1wgv s LEU 31 Ca 0.00 -0.93 -0.04 0.00 0.02 0.00 0.00 54.13 53.18 1wgv s LEU 31 Cb 0.00 -0.38 0.09 0.00 0.02 0.00 0.00 46.19 45.93 1wgv s LEU 31 CO 0.00 -0.28 0.12 -1.61 0.02 0.00 0.00 176.35 174.60 1wgv s GLU 32 N -3.35 0.24 -0.26 1.70 2.02 -0.95 -3.53 118.70 114.57 1wgv s GLU 32 Ca 0.13 -0.53 -0.05 0.00 0.02 0.00 0.00 54.97 54.54 1wgv s GLU 32 Cb -0.00 -1.35 0.00 0.00 0.10 0.00 0.00 34.13 32.88 1wgv s GLU 32 CO 0.01 -0.97 0.02 0.54 0.02 0.00 0.00 175.26 174.89 1wgv s VAL 33 N 2.05 3.67 -0.20 2.63 0.11 -1.23 -2.27 120.40 125.16 1wgv s VAL 33 Ca 0.08 -0.65 -0.04 0.00 -2.93 0.00 0.00 61.98 58.43 1wgv s VAL 33 Cb -0.16 -2.82 -0.02 0.00 -1.53 0.00 0.00 36.38 31.85 1wgv s VAL 33 CO -0.32 0.21 -0.02 -0.13 -3.33 0.00 0.00 175.10 171.51 1wgv s ARG 34 N 1.47 3.56 -0.16 1.54 0.52 -0.87 -2.83 118.95 122.19 1wgv s ARG 34 Ca 0.03 -0.55 -0.05 0.00 -0.52 0.00 0.00 55.73 54.64 1wgv s ARG 34 Cb -0.16 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.25 1wgv s ARG 34 CO -0.00 0.00 0.02 0.08 0.02 0.00 0.00 175.30 175.42 1wgv s VAL 35 N 1.00 4.40 0.18 3.52 1.01 -0.49 -2.79 120.40 127.22 1wgv s VAL 35 Ca 0.01 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1wgv s VAL 35 Cb -0.14 -2.95 -0.08 0.00 0.00 0.00 0.00 36.38 33.21 1wgv s VAL 35 CO 0.01 0.49 1.12 -2.16 0.00 0.00 0.00 175.10 174.56 1wgv s PRO 36 N 0.21 4.57 0.26 2.72 0.04 -1.26 0.19 135.00 141.74 1wgv s PRO 36 Ca 0.01 1.75 0.12 0.00 0.04 0.00 0.00 61.00 62.92 1wgv s PRO 36 Cb -0.13 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 1wgv s PRO 36 CO 0.01 0.04 -0.20 0.14 0.04 0.00 0.00 177.00 177.03 1wgv s VAL 37 N -0.19 2.44 1.04 -0.36 -7.23 -0.93 -4.88 120.40 110.30 1wgv s VAL 37 Ca 0.50 -2.35 -0.16 0.00 -1.81 0.00 0.00 61.98 58.16 1wgv s VAL 37 Cb -0.30 -2.26 0.22 0.00 0.56 0.00 0.00 36.38 34.59 1wgv s VAL 37 CO 0.35 -0.36 1.20 -2.16 -0.31 0.00 0.00 175.10 173.82 1wgv s PRO 38 N -3.39 0.05 0.00 4.82 0.04 -1.26 -4.31 135.00 130.95 1wgv s PRO 38 Ca 0.28 -0.12 0.09 0.00 0.04 0.00 0.00 61.00 61.29 1wgv s PRO 38 Cb -0.05 -1.75 0.36 0.00 0.04 0.00 0.00 34.50 33.10 1wgv s PRO 38 CO 0.14 -2.86 1.26 1.63 0.04 0.00 0.00 177.00 177.21 1wgv n LYS 39 N -4.14 1.36 0.00 4.56 4.76 -1.26 -2.78 118.16 120.66 1wgv n LYS 39 Ca 0.12 -0.55 0.07 0.00 -2.87 0.00 0.00 58.31 55.08 1wgv n LYS 39 Cb 0.59 -1.18 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 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 -0.10 0.00 -3.60 2.13 1.44 -1.26 -4.79 115.22 109.04 1wgv n HIS 40 Ca 0.08 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.39 1wgv n HIS 40 Cb 0.15 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.15 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 -1.78 4.60 -0.01 0.61 1.01 -1.12 -4.84 120.40 118.87 1wgv s VAL 41 Ca 0.13 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1wgv s VAL 41 Cb 0.12 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.99 1wgv s VAL 41 CO 0.37 -0.20 0.83 1.33 0.00 0.00 0.00 175.10 177.43 1wgv n VAL 42 N 5.00 0.24 -4.08 2.92 0.24 -1.26 -1.60 118.33 119.79 1wgv n VAL 42 Ca -0.12 -0.28 -0.07 0.00 -2.04 0.00 0.00 64.34 61.83 1wgv n VAL 42 Cb 0.46 0.61 -0.10 0.00 -1.47 0.00 0.00 33.84 33.35 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 -0.33 0.60 0.21 7.34 1.02 -1.26 -4.71 119.74 122.61 1wgv s LYS 43 Ca 0.03 -1.16 0.19 0.00 0.02 0.00 0.00 55.97 55.04 1wgv s LYS 43 Cb 0.03 0.17 0.03 0.00 -0.52 0.00 0.00 37.83 37.53 1wgv s LYS 43 CO 0.00 -0.10 1.16 0.78 -0.92 0.00 0.00 175.35 176.27 1wgv h GLY 44 N 3.29 0.00 2.00 -3.33 0.00 -1.94 -3.24 103.07 99.85 1wgv h GLY 44 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1wgv h GLY 44 CO 0.63 0.00 0.00 0.07 0.00 0.00 0.00 176.54 177.24 1wgv h LYS 45 N 0.00 0.00 0.00 4.80 2.10 -2.01 -2.03 116.57 119.43 1wgv h LYS 45 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1wgv h LYS 45 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1wgv h LYS 45 CO 0.03 0.00 -0.12 1.96 -2.00 0.00 0.00 179.45 179.32 1wgv h GLN 46 N 0.00 0.00 -6.74 0.07 4.20 -1.95 -3.45 115.11 107.24 1wgv h GLN 46 Ca 0.00 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.04 1wgv h GLN 46 Cb 0.50 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 28.08 1wgv h GLN 46 CO 0.00 0.00 -0.84 0.14 -0.67 0.00 0.00 178.83 177.46 1wgv s VAL 47 N -3.15 2.39 -0.17 -0.54 -7.23 -0.76 0.19 120.40 111.13 1wgv s VAL 47 Ca 0.09 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.39 1wgv s VAL 47 Cb 0.10 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 1wgv s VAL 47 CO 0.64 -0.01 -0.11 -0.44 -0.31 0.00 0.00 175.10 174.87 1wgv s SER 48 N -2.37 3.98 -0.28 4.85 0.01 0.94 -4.90 113.70 115.92 1wgv s SER 48 Ca 0.18 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.07 1wgv s SER 48 Cb -0.09 -1.64 0.07 0.00 0.21 0.00 0.00 66.02 64.58 1wgv s SER 48 CO 0.08 0.07 -0.05 -0.69 0.41 0.00 0.00 173.24 173.07 1wgv s VAL 49 N 0.90 2.07 -0.31 3.43 1.01 -1.26 -2.05 120.40 124.20 1wgv s VAL 49 Ca -0.03 -1.79 -0.08 0.00 0.00 0.00 0.00 61.98 60.09 1wgv s VAL 49 Cb -0.15 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.92 1wgv s VAL 49 CO -0.00 -0.23 0.10 0.00 0.00 0.00 0.00 175.10 174.97 1wgv s ALA 50 N 1.10 3.12 -0.02 5.51 0.00 -1.03 -4.93 121.76 125.51 1wgv s ALA 50 Ca -0.02 -1.47 0.07 0.00 0.00 0.00 0.00 51.96 50.54 1wgv s ALA 50 Cb -0.19 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.67 1wgv s ALA 50 CO -0.07 -0.97 -0.23 -0.51 0.00 0.00 0.00 175.76 173.99 1wgv s LEU 51 N 1.52 2.26 0.11 0.00 1.43 -1.26 -0.88 118.68 121.86 1wgv s LEU 51 Ca 0.03 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1wgv s LEU 51 Cb -0.17 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.64 1wgv s LEU 51 CO 0.04 0.32 0.00 -1.20 0.23 0.00 0.00 176.35 175.74 1wgv n SER 52 N 2.34 0.15 0.00 2.29 7.64 -1.26 -5.05 113.62 119.74 1wgv n SER 52 Ca -0.16 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1wgv n SER 52 Cb 0.51 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 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 -2.99 0.00 -1.22 6.43 3.41 -1.26 -4.59 113.62 113.41 1wgv n SER 53 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1wgv n SER 53 Cb 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.10 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 3.04 -3.41 4.04 3.41 -1.26 -0.96 113.62 118.48 1wgv n SER 54 Ca 0.00 -3.83 -0.06 0.00 -0.26 0.00 0.00 58.87 54.72 1wgv n SER 54 Cb 0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 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 -3.08 -0.10 -0.04 4.04 0.15 -1.26 0.74 113.70 114.15 1wgv s SER 55 Ca 0.45 -0.77 -0.29 0.00 0.70 0.00 0.00 55.95 56.03 1wgv s SER 55 Cb 0.40 0.68 0.10 0.00 -1.71 0.00 0.00 66.02 65.49 1wgv s SER 55 CO -0.02 -1.31 0.84 -0.51 1.20 0.00 0.00 173.24 173.43 1wgv s ILE 56 N -2.88 0.00 -0.03 6.45 -1.16 -1.18 -3.98 121.20 118.43 1wgv s ILE 56 Ca 0.15 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.30 1wgv s ILE 56 Cb -0.04 -1.00 0.01 0.00 0.61 0.00 0.00 42.46 42.04 1wgv s ILE 56 CO 0.07 0.00 -0.03 -0.60 -2.81 0.00 0.00 174.94 171.57 1wgv s ARG 57 N -2.10 0.53 -0.19 3.50 3.00 -0.06 -2.69 118.95 120.94 1wgv s ARG 57 Ca -0.01 -0.08 -0.04 0.00 -1.00 0.00 0.00 55.73 54.59 1wgv s ARG 57 Cb -0.01 -0.58 0.07 0.00 0.00 0.00 0.00 34.95 34.43 1wgv s ARG 57 CO -0.02 -0.03 0.08 0.08 0.00 0.00 0.00 175.30 175.42 1wgv s VAL 58 N 0.57 0.11 0.09 7.11 1.01 0.42 -2.46 120.40 127.25 1wgv s VAL 58 Ca -0.07 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1wgv s VAL 58 Cb -0.10 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1wgv s VAL 58 CO -0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 175.10 174.69 1wgv s ALA 59 N 2.04 0.92 0.00 5.51 0.00 -0.87 0.85 121.76 130.21 1wgv s ALA 59 Ca 0.02 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.81 1wgv s ALA 59 Cb -0.16 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1wgv s ALA 59 CO -0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 175.76 175.46 1wgv s MET 60 N -3.07 0.32 0.15 0.00 0.23 0.71 -0.04 119.30 117.60 1wgv s MET 60 Ca 0.05 -0.21 -0.31 0.00 -1.03 0.00 0.00 55.69 54.19 1wgv s MET 60 Cb -0.00 -0.28 -0.10 0.00 -1.53 0.00 0.00 34.83 32.93 1wgv s MET 60 CO -0.02 0.07 1.52 -0.51 -2.03 0.00 0.00 175.02 174.05 1wgv s LEU 61 N -0.29 4.37 0.00 0.18 1.43 0.51 0.61 118.68 125.49 1wgv s LEU 61 Ca -0.00 2.54 0.01 0.00 -1.03 0.00 0.00 54.13 55.65 1wgv s LEU 61 Cb -0.03 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.61 1wgv s LEU 61 CO -0.00 -0.78 0.08 -0.62 0.23 0.00 0.00 176.35 175.26 1wgv n GLU 62 N 3.97 1.38 0.00 1.70 1.02 -1.26 -4.84 120.64 122.61 1wgv n GLU 62 Ca 0.13 -1.05 0.14 0.00 -0.02 0.00 0.00 57.16 56.37 1wgv n GLU 62 Cb 0.39 0.17 0.63 0.00 -0.02 0.00 0.00 31.44 32.61 1wgv n GLU 62 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1wgv n GLU 63 N -0.71 1.49 -2.75 3.49 1.02 -1.26 -4.15 120.64 117.77 1wgv n GLU 63 Ca -0.03 -0.72 -0.09 0.00 -0.02 0.00 0.00 57.16 56.30 1wgv n GLU 63 Cb 0.19 -1.49 0.09 0.00 -0.02 0.00 0.00 31.44 30.21 1wgv n GLU 63 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1wgv n ASN 64 N -0.12 -1.92 -0.20 1.62 6.94 -1.26 -5.09 115.26 115.22 1wgv n ASN 64 Ca 0.20 -3.30 0.00 0.00 -0.02 0.00 0.00 54.58 51.46 1wgv n ASN 64 Cb 0.29 1.46 0.00 0.00 -2.36 0.00 0.00 39.78 39.17 1wgv n ASN 64 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1wgv n GLY 65 N 0.08 -0.95 3.11 4.83 0.00 -1.26 -5.02 105.19 105.99 1wgv n GLY 65 Ca 0.05 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 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 1.58 -0.32 -4.34 1.61 0.00 -1.26 -4.07 120.64 113.84 1wgv n GLU 66 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 57.16 56.88 1wgv n GLU 66 Cb 0.00 -1.25 -0.15 0.00 0.00 0.00 0.00 31.44 30.03 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 -2.50 0.86 -0.72 3.44 3.52 0.20 -4.75 118.95 119.00 1wgv s ARG 67 Ca 0.44 -0.27 -0.26 0.00 -0.13 0.00 0.00 55.73 55.51 1wgv s ARG 67 Cb -0.08 -0.81 0.04 0.00 -1.56 0.00 0.00 34.95 32.54 1wgv s ARG 67 CO 0.72 0.10 1.18 0.08 -0.81 0.00 0.00 175.30 176.58 1wgv s VAL 68 N 0.18 3.91 0.03 7.11 1.01 -1.26 -0.21 120.40 131.17 1wgv s VAL 68 Ca -0.03 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 1wgv s VAL 68 Cb -0.08 -4.85 -0.18 0.00 0.00 0.00 0.00 36.38 31.28 1wgv s VAL 68 CO 0.00 -1.74 1.47 -0.07 0.00 0.00 0.00 175.10 174.76 1wgv h LEU 69 N 12.51 -0.06 -7.73 3.92 3.38 0.11 -3.45 115.31 123.98 1wgv h LEU 69 Ca -0.28 -0.24 -0.23 0.00 0.09 0.00 0.00 57.88 57.22 1wgv h LEU 69 Cb 1.06 0.02 -0.28 0.00 0.09 0.00 0.00 40.66 41.54 1wgv h LEU 69 CO 1.25 0.20 -0.72 -0.32 0.09 0.00 0.00 178.44 178.94 1wgv s MET 70 N -5.15 0.01 -0.21 1.13 0.00 -0.61 -4.74 119.30 109.73 1wgv s MET 70 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 55.69 55.25 1wgv s MET 70 Cb 0.04 -0.02 0.15 0.00 0.00 0.00 0.00 34.83 35.00 1wgv s MET 70 CO 0.65 -0.00 1.14 -2.00 0.00 0.00 0.00 175.02 174.80 1wgv s GLU 71 N 0.03 0.39 0.00 4.11 -6.30 -1.26 0.16 118.70 115.83 1wgv s GLU 71 Ca -0.00 0.13 0.00 0.00 -2.50 0.00 0.00 54.97 52.60 1wgv s GLU 71 Cb -0.00 0.19 0.00 0.00 0.00 0.00 0.00 34.13 34.31 1wgv s GLU 71 CO -0.00 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.57 1wgv n GLY 72 N 0.79 4.10 3.75 -1.50 0.00 -1.09 -5.03 105.19 106.21 1wgv n GLY 72 Ca -0.07 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.91 4.26 1.00 1.61 3.01 -1.26 -3.10 119.74 122.35 1wgv s LYS 73 Ca 0.00 2.32 -0.16 0.00 -1.01 0.00 0.00 55.97 57.12 1wgv s LYS 73 Cb 0.00 -3.09 0.20 0.00 -1.01 0.00 0.00 37.83 33.93 1wgv s LYS 73 CO 0.00 -0.40 1.23 -0.51 0.51 0.00 0.00 175.35 176.17 1wgv s LEU 74 N -0.70 2.09 -0.00 3.17 1.43 0.23 -2.68 118.68 122.21 1wgv s LEU 74 Ca 0.58 0.52 -0.16 0.00 -1.03 0.00 0.00 54.13 54.04 1wgv s LEU 74 Cb -0.42 -2.58 -0.34 0.00 0.03 0.00 0.00 46.19 42.88 1wgv s LEU 74 CO 0.46 -2.96 0.90 0.71 0.23 0.00 0.00 176.35 175.69 1wgv h THR 75 N -1.79 1.24 -4.69 5.49 1.35 -1.39 -3.41 112.91 109.72 1wgv h THR 75 Ca -0.46 -2.62 -0.49 0.00 -0.55 0.00 0.00 66.41 62.29 1wgv h THR 75 Cb 1.27 3.01 -0.11 0.00 -1.73 0.00 0.00 68.15 70.59 1wgv h THR 75 CO 0.44 0.80 -0.41 1.41 -0.25 0.00 0.00 175.52 177.51 1wgv n HIS 76 N -3.78 0.14 -2.50 4.73 8.25 -1.26 -5.04 115.22 115.76 1wgv n HIS 76 Ca -0.18 -2.30 -0.24 0.00 -0.26 0.00 0.00 57.72 54.73 1wgv n HIS 76 Cb 1.05 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 32.19 1wgv n HIS 76 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1wgv s LYS 77 N -3.38 2.58 0.31 -0.41 1.02 -1.26 -4.24 119.74 114.37 1wgv s LYS 77 Ca 0.18 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 55.76 1wgv s LYS 77 Cb 0.01 -2.35 -0.00 0.00 -0.52 0.00 0.00 37.83 34.96 1wgv s LYS 77 CO 0.13 -0.82 0.38 0.44 -0.92 0.00 0.00 175.35 174.56 1wgv n ILE 78 N -2.54 0.00 -3.53 2.17 -6.64 -0.14 -4.22 119.36 104.46 1wgv n ILE 78 Ca 0.06 -1.81 -0.35 0.00 -1.77 0.00 0.00 62.75 58.88 1wgv n ILE 78 Cb 0.59 1.03 -0.06 0.00 -1.44 0.00 0.00 39.64 39.76 1wgv n ILE 78 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 1wgv n ASN 79 N -1.72 4.39 -0.32 7.28 2.85 -0.45 -4.75 115.26 122.54 1wgv n ASN 79 Ca 0.03 -3.23 0.10 0.00 -0.11 0.00 0.00 54.58 51.37 1wgv n ASN 79 Cb 0.54 -1.00 0.21 0.00 1.24 0.00 0.00 39.78 40.76 1wgv n ASN 79 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1wgv n THR 80 N 1.90 -0.38 -0.01 -0.44 -2.24 -1.26 0.19 114.28 112.03 1wgv n THR 80 Ca 0.24 2.02 -0.09 0.00 -2.27 0.00 0.00 64.05 63.95 1wgv n THR 80 Cb 0.37 -2.88 -0.03 0.00 -2.10 0.00 0.00 70.33 65.69 1wgv n THR 80 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1wgv h GLU 81 N 0.00 -0.17 0.00 -0.78 4.81 -1.93 -0.11 114.58 116.40 1wgv h GLU 81 Ca 0.50 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.71 1wgv h GLU 81 Cb 0.94 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1wgv h GLU 81 CO -0.88 -0.11 -0.17 1.03 -0.73 0.00 0.00 179.01 178.15 1wgv h SER 82 N -0.17 0.00 -4.42 1.04 0.87 0.68 -3.44 113.55 108.12 1wgv h SER 82 Ca 0.10 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.17 1wgv h SER 82 Cb 0.33 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 62.38 1wgv h SER 82 CO -0.26 0.17 0.39 -0.44 -0.53 0.00 0.00 176.83 176.15 1wgv s SER 83 N -6.09 5.14 0.36 6.23 0.01 0.50 -4.77 113.70 115.08 1wgv s SER 83 Ca 0.01 1.20 -0.02 0.00 1.31 0.00 0.00 55.95 58.45 1wgv s SER 83 Cb 0.09 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.35 1wgv s SER 83 CO 0.62 -1.54 0.49 -1.48 0.41 0.00 0.00 173.24 171.73 1wgv s LEU 84 N -5.50 1.07 -0.30 2.44 0.05 -0.84 -4.88 118.68 110.73 1wgv s LEU 84 Ca 0.59 -1.54 -0.12 0.00 0.05 0.00 0.00 54.13 53.11 1wgv s LEU 84 Cb -0.12 1.47 0.14 0.00 -2.05 0.00 0.00 46.19 45.63 1wgv s LEU 84 CO 0.53 -1.33 0.77 -1.66 -0.55 0.00 0.00 176.35 174.11 1wgv s TRP 85 N -2.94 -1.07 0.16 3.48 1.48 -1.26 -1.63 118.94 117.15 1wgv s TRP 85 Ca 0.31 1.90 0.09 0.00 -1.06 0.00 0.00 56.10 57.34 1wgv s TRP 85 Cb -0.01 0.64 -0.04 0.00 -1.16 0.00 0.00 33.47 32.91 1wgv s TRP 85 CO 0.22 -0.53 -0.12 -1.12 -4.06 0.00 0.00 176.95 171.34 1wgv s SER 86 N 2.54 4.18 0.06 -2.66 0.01 0.23 -4.97 113.70 113.10 1wgv s SER 86 Ca -0.06 -0.55 0.08 0.00 1.31 0.00 0.00 55.95 56.73 1wgv s SER 86 Cb -0.09 -0.69 -0.03 0.00 0.21 0.00 0.00 66.02 65.41 1wgv s SER 86 CO -0.18 0.13 -0.21 -0.22 0.41 0.00 0.00 173.24 173.17 1wgv s LEU 87 N -2.59 2.51 -0.04 2.44 1.98 -1.26 0.22 118.68 121.93 1wgv s LEU 87 Ca 0.23 -0.52 0.04 0.00 -2.89 0.00 0.00 54.13 50.99 1wgv s LEU 87 Cb -0.09 -1.45 -0.00 0.00 0.66 0.00 0.00 46.19 45.31 1wgv s LEU 87 CO 0.14 0.23 -0.15 -1.61 -1.89 0.00 0.00 176.35 173.07 1wgv s GLU 88 N -1.59 1.57 -0.15 1.98 2.02 -0.94 -4.97 118.70 116.62 1wgv s GLU 88 Ca 0.15 -0.54 -0.29 0.00 0.02 0.00 0.00 54.97 54.30 1wgv s GLU 88 Cb -0.10 -1.39 -0.02 0.00 0.10 0.00 0.00 34.13 32.72 1wgv s GLU 88 CO 0.06 0.22 1.27 -1.25 0.02 0.00 0.00 175.26 175.58 1wgv s PRO 89 N 0.04 4.24 -1.31 0.39 0.04 -1.26 -3.35 135.00 133.79 1wgv s PRO 89 Ca -0.03 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 62.66 1wgv s PRO 89 Cb -0.10 -3.75 0.01 0.00 0.04 0.00 0.00 34.50 30.70 1wgv s PRO 89 CO 0.02 -0.68 0.93 0.41 0.04 0.00 0.00 177.00 177.71 1wgv n GLY 90 N 3.60 -0.39 0.00 0.56 0.00 -0.63 -4.88 105.19 103.46 1wgv n GLY 90 Ca 0.14 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.21 -4.95 118.16 110.12 1wgv n LYS 91 Ca -0.19 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.19 1wgv n LYS 91 Cb 0.63 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.84 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 -2.55 4.34 -0.19 0.00 1.01 0.51 -2.23 120.40 121.30 1wgv s VAL 93 Ca 0.17 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 1wgv s VAL 93 Cb -0.04 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1wgv s VAL 93 CO 0.08 0.54 0.06 -0.22 0.00 0.00 0.00 175.10 175.56 1wgv s LEU 94 N -0.20 3.76 -0.26 3.92 1.98 0.13 -1.40 118.68 126.61 1wgv s LEU 94 Ca 0.05 0.04 -0.01 0.00 -2.89 0.00 0.00 54.13 51.32 1wgv s LEU 94 Cb -0.12 -1.96 0.08 0.00 0.66 0.00 0.00 46.19 44.85 1wgv s LEU 94 CO 0.02 0.14 0.04 -0.69 -1.89 0.00 0.00 176.35 173.97 1wgv s VAL 95 N 0.55 0.99 -0.21 1.68 1.01 -1.13 0.77 120.40 124.06 1wgv s VAL 95 Ca 0.03 -1.15 -0.20 0.00 0.00 0.00 0.00 61.98 60.66 1wgv s VAL 95 Cb -0.13 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 1wgv s VAL 95 CO 0.01 -0.40 0.61 0.20 0.00 0.00 0.00 175.10 175.52 1wgv s ASN 96 N 1.60 6.63 -0.20 3.32 -0.87 -0.65 -3.55 114.94 121.23 1wgv s ASN 96 Ca 0.03 0.77 -0.06 0.00 -1.57 0.00 0.00 52.86 52.03 1wgv s ASN 96 Cb -0.18 -2.33 -0.03 0.00 -0.02 0.00 0.00 41.25 38.69 1wgv s ASN 96 CO -0.15 -0.28 0.02 -0.76 -2.57 0.00 0.00 177.10 173.36 1wgv s LEU 97 N 2.00 3.38 -0.44 0.60 1.43 -1.23 -1.98 118.68 122.45 1wgv s LEU 97 Ca 0.27 -0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.11 1wgv s LEU 97 Cb -0.16 -1.86 0.07 0.00 0.03 0.00 0.00 46.19 44.28 1wgv s LEU 97 CO 0.10 0.09 0.33 -0.44 0.23 0.00 0.00 176.35 176.65 1wgv s SER 98 N 0.88 5.91 0.47 2.29 0.01 -1.26 -3.32 113.70 118.69 1wgv s SER 98 Ca 0.02 -1.36 -0.24 0.00 1.31 0.00 0.00 55.95 55.67 1wgv s SER 98 Cb -0.14 -2.09 -0.07 0.00 0.21 0.00 0.00 66.02 63.92 1wgv s SER 98 CO 0.02 -0.58 1.43 -0.54 0.41 0.00 0.00 173.24 173.98 1wgv s LYS 99 N 1.55 3.54 -0.38 12.44 1.02 -1.26 -1.34 119.74 135.30 1wgv s LYS 99 Ca 0.03 2.41 -0.03 0.00 0.02 0.00 0.00 55.97 58.41 1wgv s LYS 99 Cb -0.23 -2.57 0.13 0.00 -0.52 0.00 0.00 37.83 34.64 1wgv s LYS 99 CO 0.05 -0.93 2.44 1.33 -0.92 0.00 0.00 175.35 177.32 1wgv n VAL 100 N -0.40 3.07 0.00 3.17 0.24 -1.26 -4.79 118.33 118.36 1wgv n VAL 100 Ca 0.06 -2.34 0.00 0.00 -2.04 0.00 0.00 64.34 60.02 1wgv n VAL 100 Cb 0.42 -1.48 0.00 0.00 -1.47 0.00 0.00 33.84 31.31 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 0.64 2.60 3.56 7.63 0.00 -1.26 -5.00 105.19 113.36 1wgv n GLY 101 Ca 0.40 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.76 2.58 0.14 1.61 2.02 -1.26 -4.92 118.70 117.10 1wgv s GLU 102 Ca 0.00 0.09 0.06 0.00 0.02 0.00 0.00 54.97 55.14 1wgv s GLU 102 Cb 0.00 -4.78 -0.04 0.00 0.10 0.00 0.00 34.13 29.41 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 9.71 1.44 -0.36 1.61 2.02 -1.26 -5.12 117.35 125.40 1wgv s TYR 103 Ca 0.69 -0.58 -0.06 0.00 -0.37 0.00 0.00 57.07 56.75 1wgv s TYR 103 Cb -0.09 -0.74 0.05 0.00 -0.40 0.00 0.00 41.96 40.78 1wgv s TYR 103 CO 0.08 0.17 0.14 1.67 -1.57 0.00 0.00 175.55 176.04 1wgv s TRP 104 N -2.39 3.30 -0.96 2.71 -2.14 -1.26 -4.93 118.94 113.27 1wgv s TRP 104 Ca 0.12 -1.55 -0.21 0.00 2.66 0.00 0.00 56.10 57.12 1wgv s TRP 104 Cb -0.03 -2.49 0.09 0.00 -3.10 0.00 0.00 33.47 27.93 1wgv s TRP 104 CO 0.03 -0.78 1.28 -1.58 -2.66 0.00 0.00 176.95 173.24 1wgv s TRP 105 N 1.38 2.81 -0.26 1.66 0.52 -1.26 -4.79 118.94 119.00 1wgv s TRP 105 Ca -0.00 -1.07 0.22 0.00 0.02 0.00 0.00 56.10 55.26 1wgv s TRP 105 Cb -0.20 -4.49 1.13 0.00 -1.15 0.00 0.00 33.47 28.76 1wgv s TRP 105 CO 0.02 -1.72 1.66 0.27 0.02 0.00 0.00 176.95 177.20 1wgv n ASN 106 N 7.75 0.58 -3.59 2.95 0.23 -1.26 -4.73 115.26 117.18 1wgv n ASN 106 Ca 0.27 0.74 -0.05 0.00 -0.53 0.00 0.00 54.58 55.01 1wgv n ASN 106 Cb 0.50 -0.83 -0.02 0.00 -2.08 0.00 0.00 39.78 37.35 1wgv n ASN 106 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wgv s ALA 107 N -3.50 -1.87 -0.10 -2.53 0.00 -1.26 -2.25 121.76 110.25 1wgv s ALA 107 Ca -0.01 0.87 -0.00 0.00 0.00 0.00 0.00 51.96 52.82 1wgv s ALA 107 Cb 0.07 0.37 -0.00 0.00 0.00 0.00 0.00 23.12 23.55 1wgv s ALA 107 CO 0.23 -0.80 -0.00 0.82 0.00 0.00 0.00 175.76 176.01 1wgv h ILE 108 N 2.00 0.00 -1.59 0.00 1.08 -1.92 -3.40 117.51 113.68 1wgv h ILE 108 Ca -0.21 -0.95 -0.44 0.00 -0.39 0.00 0.00 64.86 62.87 1wgv h ILE 108 Cb 1.22 0.00 0.01 0.00 -3.07 0.00 0.00 36.82 34.98 1wgv h ILE 108 CO 0.28 0.00 -0.31 -0.76 -0.69 0.00 0.00 178.15 176.67 1wgv s LEU 109 N -8.33 3.73 0.52 1.44 1.43 -1.26 -1.24 118.68 114.97 1wgv s LEU 109 Ca -0.00 -0.38 -0.18 0.00 -1.03 0.00 0.00 54.13 52.53 1wgv s LEU 109 Cb 0.00 -2.60 -0.07 0.00 0.03 0.00 0.00 46.19 43.55 1wgv s LEU 109 CO 0.01 -0.62 1.03 -1.61 0.23 0.00 0.00 176.35 175.39 1wgv s GLU 110 N -4.25 3.68 0.00 1.70 2.02 -1.09 -3.72 118.70 117.04 1wgv s GLU 110 Ca 0.50 1.26 0.00 0.00 0.02 0.00 0.00 54.97 56.75 1wgv s GLU 110 Cb -0.09 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.06 1wgv s GLU 110 CO 0.31 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.48 1wgv n GLY 111 N -0.64 2.07 3.37 -1.39 0.00 -1.26 -4.96 105.19 102.37 1wgv n GLY 111 Ca 0.09 -0.31 -0.61 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.25 1.61 4.07 -1.24 -4.72 120.64 119.10 1wgv n GLU 112 Ca 0.00 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.69 1wgv n GLU 112 Cb 0.00 -1.41 -0.01 0.00 -0.06 0.00 0.00 31.44 29.96 1wgv n GLU 112 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1wgv n GLU 113 N 4.87 0.00 -2.46 5.31 1.02 -1.26 -4.81 120.64 123.31 1wgv n GLU 113 Ca 0.37 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 57.09 1wgv n GLU 113 Cb -0.05 -0.95 -0.03 0.00 -0.02 0.00 0.00 31.44 30.39 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 -0.95 4.44 1.02 3.49 0.04 -1.26 -4.81 135.00 136.97 1wgv s PRO 114 Ca 0.57 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 63.19 1wgv s PRO 114 Cb -0.66 -3.39 0.21 0.00 0.04 0.00 0.00 34.50 30.71 1wgv s PRO 114 CO 0.58 -0.26 0.48 0.44 0.04 0.00 0.00 177.00 178.29 1wgv n ILE 115 N 4.01 0.00 -0.22 0.56 -5.35 -0.95 -4.81 119.36 112.59 1wgv n ILE 115 Ca 0.09 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.45 1wgv n ILE 115 Cb 0.47 -0.55 -0.09 0.00 -1.74 0.00 0.00 39.64 37.73 1wgv n ILE 115 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1wgv h ASP 116 N -2.91 -1.81 -3.89 7.28 5.19 -1.92 -3.39 116.42 114.97 1wgv h ASP 116 Ca -0.22 0.25 -0.47 0.00 -0.62 0.00 0.00 57.03 55.98 1wgv h ASP 116 Cb 0.74 0.76 -0.02 0.00 0.18 0.00 0.00 39.33 40.99 1wgv h ASP 116 CO 0.13 -0.32 0.26 -0.63 -3.12 0.00 0.00 179.24 175.56 1wgv s ILE 117 N -5.38 4.45 0.00 0.35 1.01 -1.26 -5.04 121.20 115.33 1wgv s ILE 117 Ca -0.12 1.40 0.00 0.00 0.00 0.00 0.00 60.65 61.92 1wgv s ILE 117 Cb 0.08 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1wgv s ILE 117 CO 0.56 -0.14 0.00 -0.67 0.00 0.00 0.00 174.94 174.69 1wgv n ASP 118 N -0.20 0.00 0.38 3.58 2.03 -1.26 -4.86 116.55 116.22 1wgv n ASP 118 Ca 0.04 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.17 1wgv n ASP 118 Cb 0.53 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.84 1wgv n ASP 118 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1wgv h SER 119 N 0.00 -1.03 0.00 1.67 4.64 -1.96 -3.48 113.55 113.38 1wgv h SER 119 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1wgv h SER 119 Cb 0.00 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1wgv h SER 119 CO 0.00 -0.64 0.00 0.61 -0.87 0.00 0.00 176.83 175.93 1wgv n GLY 120 N -1.55 -0.44 3.04 -0.77 0.00 -1.26 -4.29 105.19 99.91 1wgv n GLY 120 Ca -0.14 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 1wgv n GLY 120 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgv n PRO 121 N 0.00 2.18 -0.01 1.61 -0.04 -1.26 -4.28 135.00 133.20 1wgv n PRO 121 Ca 0.00 -2.32 -0.05 0.00 -0.04 0.00 0.00 63.50 61.09 1wgv n PRO 121 Cb 0.00 -3.18 -0.02 0.00 -0.04 0.00 0.00 33.50 30.26 1wgv n PRO 121 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgv n SER 122 N 7.60 1.19 -3.21 3.54 2.88 -1.26 -5.02 113.62 119.34 1wgv n SER 122 Ca 0.50 0.18 -0.01 0.00 -1.33 0.00 0.00 58.87 58.21 1wgv n SER 122 Cb 0.41 -0.42 -0.02 0.00 -0.75 0.00 0.00 64.21 63.43 1wgv n SER 122 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wgv s SER 123 N -5.93 -0.91 0.00 -3.46 1.04 -1.26 -5.25 113.70 97.92 1wgv s SER 123 Ca -0.11 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1wgv s SER 123 Cb 0.02 1.69 0.00 0.00 0.10 0.00 0.00 66.02 67.84 1wgv s SER 123 CO 0.15 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.68