#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 -1.48 -0.20 1.61 1.04 -1.26 -5.05 113.70 108.35 1wgv s SER 2 Ca 0.00 -1.08 -0.08 0.00 0.48 0.00 0.00 55.95 55.27 1wgv s SER 2 Cb 0.00 1.91 0.03 0.00 0.10 0.00 0.00 66.02 68.06 1wgv s SER 2 CO 0.00 -0.13 0.16 -0.24 0.98 0.00 0.00 173.24 174.01 1wgv n SER 3 N 3.91 -2.56 0.00 7.02 2.88 -1.26 -5.05 113.62 118.56 1wgv n SER 3 Ca 0.13 1.24 0.00 0.00 -1.33 0.00 0.00 58.87 58.92 1wgv n SER 3 Cb 0.57 -4.88 0.00 0.00 -0.75 0.00 0.00 64.21 59.14 1wgv n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgv n GLY 4 N 1.27 -1.35 3.28 0.46 0.00 -1.26 -5.14 105.19 102.45 1wgv n GLY 4 Ca -0.27 -1.34 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 1wgv n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgv s SER 5 N -3.19 2.77 -0.35 1.61 0.01 -1.26 -5.10 113.70 108.19 1wgv s SER 5 Ca 0.00 -0.52 0.05 0.00 1.31 0.00 0.00 55.95 56.79 1wgv s SER 5 Cb 0.00 -0.26 0.19 0.00 0.21 0.00 0.00 66.02 66.16 1wgv s SER 5 CO 0.00 0.22 0.66 -0.55 0.41 0.00 0.00 173.24 173.98 1wgv s SER 6 N -1.04 -1.45 -0.23 2.44 0.15 -1.26 -5.12 113.70 107.18 1wgv s SER 6 Ca 0.09 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1wgv s SER 6 Cb -0.09 1.88 0.06 0.00 -1.71 0.00 0.00 66.02 66.15 1wgv s SER 6 CO 0.01 -0.21 -0.04 -0.83 1.20 0.00 0.00 173.24 173.37 1wgv s GLY 7 N 2.33 1.19 -0.11 9.45 0.00 -1.26 -5.11 107.32 113.82 1wgv s GLY 7 Ca 0.14 -1.23 -0.26 0.00 0.00 0.00 0.00 44.72 43.36 1wgv s GLY 7 CO -0.16 1.00 0.86 1.62 0.00 0.00 0.00 173.10 176.41 1wgv s GLN 8 N 1.47 4.39 -0.08 2.90 2.00 -1.26 -4.96 119.66 124.12 1wgv s GLN 8 Ca -0.05 1.12 -0.06 0.00 -2.00 0.00 0.00 55.36 54.36 1wgv s GLN 8 Cb -0.18 -3.52 -0.04 0.00 0.80 0.00 0.00 33.01 30.07 1wgv s GLN 8 CO -0.07 -0.19 0.25 0.87 -0.50 0.00 0.00 175.29 175.65 1wgv h LYS 9 N 7.07 -0.16 -3.14 1.67 1.57 -2.06 -3.48 116.57 118.03 1wgv h LYS 9 Ca -0.34 0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.34 1wgv h LYS 9 Cb 1.16 0.04 -0.19 0.00 0.08 0.00 0.00 32.23 33.32 1wgv h LYS 9 CO 0.81 -0.06 -0.28 -0.80 -0.57 0.00 0.00 179.45 178.55 1wgv s ASN 10 N -5.39 -0.16 1.06 0.86 0.01 -1.26 -5.17 114.94 104.90 1wgv s ASN 10 Ca -0.04 -0.02 -0.17 0.00 -0.71 0.00 0.00 52.86 51.93 1wgv s ASN 10 Cb 0.00 0.32 0.23 0.00 0.41 0.00 0.00 41.25 42.21 1wgv s ASN 10 CO 0.11 -0.49 1.21 -2.16 -1.51 0.00 0.00 177.10 174.26 1wgv s PRO 11 N -1.70 -0.13 0.25 -0.60 0.04 -1.26 -4.92 135.00 126.68 1wgv s PRO 11 Ca -0.11 -0.19 -0.03 0.00 0.04 0.00 0.00 61.00 60.70 1wgv s PRO 11 Cb -0.04 -1.74 0.52 0.00 0.04 0.00 0.00 34.50 33.28 1wgv s PRO 11 CO 0.02 -2.96 1.68 0.38 0.04 0.00 0.00 177.00 176.15 1wgv h ASP 12 N -2.04 0.02 -3.30 6.66 2.03 -2.04 -3.35 116.42 114.39 1wgv h ASP 12 Ca -0.45 0.16 -0.59 0.00 -0.73 0.00 0.00 57.03 55.42 1wgv h ASP 12 Cb 1.27 0.21 -0.08 0.00 -0.83 0.00 0.00 39.33 39.90 1wgv h ASP 12 CO 0.39 -0.06 0.62 -0.94 -1.03 0.00 0.00 179.24 178.22 1wgv s SER 13 N -5.21 6.86 -0.03 4.15 1.04 -1.26 -4.94 113.70 114.30 1wgv s SER 13 Ca -0.13 0.98 -0.26 0.00 0.48 0.00 0.00 55.95 57.03 1wgv s SER 13 Cb 0.22 -2.48 -0.20 0.00 0.10 0.00 0.00 66.02 63.66 1wgv s SER 13 CO 0.76 -0.68 1.21 1.88 0.98 0.00 0.00 173.24 177.38 1wgv h TYR 14 N 7.90 -0.03 0.00 5.02 0.05 -1.95 -3.38 116.97 124.58 1wgv h TYR 14 Ca -0.22 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.53 1wgv h TYR 14 Cb 1.08 0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.82 1wgv h TYR 14 CO 0.78 0.49 -0.33 -0.97 -1.05 0.00 0.00 178.16 177.08 1wgv h ASN 15 N -0.56 0.00 0.00 3.88 -1.24 -1.94 -3.49 115.58 112.24 1wgv h ASN 15 Ca -0.00 -0.25 0.00 0.00 0.71 0.00 0.00 56.30 56.76 1wgv h ASN 15 Cb 0.53 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.58 1wgv h ASN 15 CO 0.00 0.80 0.00 0.61 -1.29 0.00 0.00 177.43 177.56 1wgv n GLY 16 N 1.65 0.98 0.00 1.57 0.00 -1.26 -5.17 105.19 102.97 1wgv n GLY 16 Ca -0.08 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 -3.50 4.61 0.00 -1.26 -4.99 120.51 115.37 1wgv n ALA 17 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1wgv n ALA 17 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1wgv n ALA 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wgv s VAL 18 N 0.00 0.00 0.00 0.00 0.11 -1.26 -3.50 120.40 115.75 1wgv s VAL 18 Ca 0.00 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1wgv s VAL 18 Cb 0.00 -1.10 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 1wgv s VAL 18 CO 0.00 0.00 0.00 -1.14 -3.33 0.00 0.00 175.10 170.63 1wgv n ARG 19 N -0.32 0.00 0.00 1.54 3.00 -1.11 -4.97 116.66 114.80 1wgv n ARG 19 Ca -0.12 0.17 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 1wgv n ARG 19 Cb 0.63 -0.64 0.00 0.00 0.00 0.00 0.00 32.46 32.45 1wgv n ARG 19 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1wgv n GLU 20 N -2.16 0.00 -0.03 -0.14 0.28 -1.26 -4.96 120.64 112.37 1wgv n GLU 20 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 1wgv n GLU 20 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 1wgv n GLU 20 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1wgv n ASN 21 N 0.00 3.57 -4.13 -1.84 3.02 -1.26 -5.00 115.26 109.61 1wgv n ASN 21 Ca 0.00 -0.01 -0.28 0.00 -0.03 0.00 0.00 54.58 54.26 1wgv n ASN 21 Cb 0.00 0.34 -0.16 0.00 -0.61 0.00 0.00 39.78 39.35 1wgv n ASN 21 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1wgv s TYR 22 N -2.14 1.91 0.29 3.10 1.13 -1.26 -4.52 117.35 115.86 1wgv s TYR 22 Ca -0.05 -0.67 -0.14 0.00 -1.41 0.00 0.00 57.07 54.80 1wgv s TYR 22 Cb 0.02 -1.31 -0.08 0.00 -1.10 0.00 0.00 41.96 39.49 1wgv s TYR 22 CO 0.20 -0.27 0.68 0.99 -2.51 0.00 0.00 175.55 174.64 1wgv s THR 23 N 0.29 4.75 0.26 -3.49 2.01 -0.99 -2.74 115.64 115.73 1wgv s THR 23 Ca -0.11 0.82 -0.17 0.00 0.31 0.00 0.00 61.69 62.54 1wgv s THR 23 Cb -0.15 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.75 1wgv s THR 23 CO 0.05 -0.14 0.58 -1.66 -0.69 0.00 0.00 174.62 172.76 1wgv s TRP 24 N -1.92 0.08 -0.02 4.92 1.48 -1.23 -1.13 118.94 121.12 1wgv s TRP 24 Ca 0.52 -0.48 -0.21 0.00 -1.06 0.00 0.00 56.10 54.87 1wgv s TRP 24 Cb -0.11 0.43 0.04 0.00 -1.16 0.00 0.00 33.47 32.67 1wgv s TRP 24 CO 0.19 -1.09 0.45 -1.54 -4.06 0.00 0.00 176.95 170.90 1wgv s SER 25 N -2.96 -0.37 -0.23 -2.66 1.04 -0.90 -4.16 113.70 103.47 1wgv s SER 25 Ca 0.16 0.32 -0.06 0.00 0.48 0.00 0.00 55.95 56.85 1wgv s SER 25 Cb -0.03 0.40 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 1wgv s SER 25 CO 0.07 -0.52 0.02 0.00 0.98 0.00 0.00 173.24 173.79 1wgv s GLN 26 N -1.34 3.55 0.28 4.02 -2.07 -1.26 -3.29 119.66 119.56 1wgv s GLN 26 Ca -0.12 -0.54 0.02 0.00 -1.82 0.00 0.00 55.36 52.90 1wgv s GLN 26 Cb -0.03 -3.16 -0.06 0.00 -1.09 0.00 0.00 33.01 28.67 1wgv s GLN 26 CO 0.06 -0.15 0.08 -0.51 -1.32 0.00 0.00 175.29 173.45 1wgv s ASP 27 N 1.44 1.66 -0.30 12.60 1.11 -1.23 -5.04 116.67 126.91 1wgv s ASP 27 Ca 0.05 -1.38 -0.03 0.00 0.18 0.00 0.00 52.55 51.37 1wgv s ASP 27 Cb -0.15 0.06 0.05 0.00 1.07 0.00 0.00 42.92 43.96 1wgv s ASP 27 CO 0.01 -0.68 2.61 -1.22 1.18 0.00 0.00 175.17 177.07 1wgv n TYR 28 N -0.55 1.18 0.00 4.23 4.01 -1.26 -3.85 117.16 120.92 1wgv n TYR 28 Ca -0.01 -1.80 0.00 0.00 -0.16 0.00 0.00 57.90 55.93 1wgv n TYR 28 Cb 0.66 -1.21 0.00 0.00 -0.31 0.00 0.00 39.34 38.49 1wgv n TYR 28 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1wgv n THR 29 N 1.02 0.00 -3.88 -0.72 -2.24 -1.26 -5.17 114.28 102.03 1wgv n THR 29 Ca 0.38 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 62.16 1wgv n THR 29 Cb 0.62 -0.21 0.01 0.00 -2.10 0.00 0.00 70.33 68.65 1wgv n THR 29 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1wgv s ASP 30 N -3.23 -0.01 -0.22 3.42 1.47 -1.25 -4.57 116.67 112.27 1wgv s ASP 30 Ca 0.00 -0.39 -0.07 0.00 1.18 0.00 0.00 52.55 53.27 1wgv s ASP 30 Cb 0.00 0.30 -0.03 0.00 -0.34 0.00 0.00 42.92 42.85 1wgv s ASP 30 CO 0.00 -0.60 0.07 -0.76 0.68 0.00 0.00 175.17 174.56 1wgv s LEU 31 N -3.49 3.57 -0.32 2.11 1.02 -0.98 -3.51 118.68 117.08 1wgv s LEU 31 Ca 0.23 -0.10 -0.06 0.00 0.02 0.00 0.00 54.13 54.23 1wgv s LEU 31 Cb -0.01 -1.94 0.03 0.00 0.02 0.00 0.00 46.19 44.30 1wgv s LEU 31 CO 0.01 0.04 0.08 -0.70 0.02 0.00 0.00 176.35 175.80 1wgv s GLU 32 N 1.14 2.69 -0.12 1.70 2.12 -1.21 -2.54 118.70 122.49 1wgv s GLU 32 Ca 0.04 -1.12 0.02 0.00 0.36 0.00 0.00 54.97 54.27 1wgv s GLU 32 Cb -0.14 -3.38 0.02 0.00 0.26 0.00 0.00 34.13 30.88 1wgv s GLU 32 CO 0.03 -0.60 -0.15 0.54 -0.54 0.00 0.00 175.26 174.53 1wgv s VAL 33 N 1.39 1.54 -0.08 3.70 0.11 -1.20 -2.11 120.40 123.76 1wgv s VAL 33 Ca -0.01 -0.66 0.04 0.00 -2.93 0.00 0.00 61.98 58.42 1wgv s VAL 33 Cb -0.19 -1.41 -0.01 0.00 -1.53 0.00 0.00 36.38 33.24 1wgv s VAL 33 CO 0.02 0.45 -0.21 -0.13 -3.33 0.00 0.00 175.10 171.89 1wgv s ARG 34 N 1.05 2.76 -0.12 1.54 0.52 -0.28 -2.84 118.95 121.58 1wgv s ARG 34 Ca -0.05 -0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 54.31 1wgv s ARG 34 Cb -0.15 -2.29 -0.02 0.00 0.52 0.00 0.00 34.95 33.01 1wgv s ARG 34 CO -0.03 0.36 -0.08 0.08 0.02 0.00 0.00 175.30 175.65 1wgv s VAL 35 N -0.08 3.56 0.27 3.52 1.01 -0.70 -2.35 120.40 125.63 1wgv s VAL 35 Ca -0.05 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 1wgv s VAL 35 Cb -0.14 -2.50 -0.09 0.00 0.00 0.00 0.00 36.38 33.64 1wgv s VAL 35 CO 0.04 0.54 1.08 -2.16 0.00 0.00 0.00 175.10 174.60 1wgv s PRO 36 N -0.05 4.67 0.20 2.72 0.04 -1.26 0.20 135.00 141.51 1wgv s PRO 36 Ca -0.00 1.77 0.09 0.00 0.04 0.00 0.00 61.00 62.89 1wgv s PRO 36 Cb -0.13 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.16 1wgv s PRO 36 CO 0.03 0.25 -0.16 0.14 0.04 0.00 0.00 177.00 177.30 1wgv s VAL 37 N -1.16 1.88 1.08 -0.36 -7.23 -0.96 -4.85 120.40 108.80 1wgv s VAL 37 Ca 0.44 -2.16 -0.17 0.00 -1.81 0.00 0.00 61.98 58.28 1wgv s VAL 37 Cb -0.31 -2.02 0.24 0.00 0.56 0.00 0.00 36.38 34.84 1wgv s VAL 37 CO 0.40 -0.48 1.22 -2.16 -0.31 0.00 0.00 175.10 173.76 1wgv s PRO 38 N -3.37 -0.23 -0.02 4.82 0.04 -1.26 -4.40 135.00 130.58 1wgv s PRO 38 Ca 0.22 -0.23 0.06 0.00 0.04 0.00 0.00 61.00 61.10 1wgv s PRO 38 Cb -0.03 -1.73 0.21 0.00 0.04 0.00 0.00 34.50 33.00 1wgv s PRO 38 CO 0.08 -3.03 1.11 1.63 0.04 0.00 0.00 177.00 176.83 1wgv n LYS 39 N -4.24 1.67 0.00 4.56 4.76 -1.26 -2.92 118.16 120.73 1wgv n LYS 39 Ca 0.14 -0.86 0.04 0.00 -2.87 0.00 0.00 58.31 54.76 1wgv n LYS 39 Cb 0.59 -1.30 0.01 0.00 -1.84 0.00 0.00 35.03 32.50 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 0.18 0.00 -3.62 2.13 1.44 -1.26 -4.82 115.22 109.27 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 0.27 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.26 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 -0.95 4.61 0.00 0.61 1.01 -1.15 -4.82 120.40 119.71 1wgv s VAL 41 Ca 0.07 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1wgv s VAL 41 Cb 0.06 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1wgv s VAL 41 CO 0.15 -0.11 0.00 1.33 0.00 0.00 0.00 175.10 176.47 1wgv n VAL 42 N 5.00 0.00 -2.69 2.92 0.24 -1.26 -1.76 118.33 120.77 1wgv n VAL 42 Ca -0.13 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.83 1wgv n VAL 42 Cb 0.47 -0.32 -0.05 0.00 -1.47 0.00 0.00 33.84 32.47 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 -1.50 4.16 0.06 7.34 1.02 -1.26 -4.33 119.74 125.23 1wgv s LYS 43 Ca 0.00 1.29 0.25 0.00 0.02 0.00 0.00 55.97 57.53 1wgv s LYS 43 Cb 0.00 -2.32 1.02 0.00 -0.52 0.00 0.00 37.83 36.01 1wgv s LYS 43 CO 0.00 -0.11 1.80 0.41 -0.92 0.00 0.00 175.35 176.53 1wgv n GLY 44 N -0.17 -1.44 0.06 -3.33 0.00 -1.26 -2.47 105.19 96.59 1wgv n GLY 44 Ca 0.06 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1wgv n GLY 44 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wgv n LYS 45 N -1.71 0.18 -0.05 1.61 2.85 -1.26 -2.88 118.16 116.91 1wgv n LYS 45 Ca 0.06 0.12 0.10 0.00 -1.05 0.00 0.00 58.31 57.55 1wgv n LYS 45 Cb 0.32 -1.69 0.46 0.00 -0.65 0.00 0.00 35.03 33.47 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 -1.99 1.45 -3.98 -1.58 6.02 -1.03 -4.79 117.38 111.48 1wgv n GLN 46 Ca 0.06 -0.68 -0.12 0.00 -0.01 0.00 0.00 57.00 56.25 1wgv n GLN 46 Cb 0.40 -1.36 -0.13 0.00 1.02 0.00 0.00 30.24 30.17 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 -1.88 0.19 -0.15 5.09 -7.23 -1.14 0.20 120.40 115.48 1wgv s VAL 47 Ca 0.31 -0.42 -0.02 0.00 -1.81 0.00 0.00 61.98 60.05 1wgv s VAL 47 Cb 0.16 -0.22 -0.02 0.00 0.56 0.00 0.00 36.38 36.86 1wgv s VAL 47 CO 0.25 -0.15 -0.08 -0.44 -0.31 0.00 0.00 175.10 174.37 1wgv s SER 48 N -0.60 4.39 -0.10 4.85 0.01 0.03 -4.94 113.70 117.33 1wgv s SER 48 Ca -0.05 -0.24 -0.01 0.00 1.31 0.00 0.00 55.95 56.96 1wgv s SER 48 Cb -0.04 -1.70 0.03 0.00 0.21 0.00 0.00 66.02 64.52 1wgv s SER 48 CO -0.00 0.16 -0.04 -0.69 0.41 0.00 0.00 173.24 173.08 1wgv s VAL 49 N 0.42 0.73 -0.17 3.43 1.01 -1.26 -2.00 120.40 122.56 1wgv s VAL 49 Ca -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1wgv s VAL 49 Cb -0.15 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 1wgv s VAL 49 CO 0.04 0.27 -0.13 0.00 0.00 0.00 0.00 175.10 175.28 1wgv s ALA 50 N 1.82 2.55 -0.06 5.51 0.00 -1.21 -4.96 121.76 125.42 1wgv s ALA 50 Ca 0.04 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.95 1wgv s ALA 50 Cb -0.13 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1wgv s ALA 50 CO -0.07 -0.15 -0.17 -0.51 0.00 0.00 0.00 175.76 174.86 1wgv s LEU 51 N 1.00 1.86 0.19 0.00 1.43 -1.26 -2.86 118.68 119.03 1wgv s LEU 51 Ca -0.02 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1wgv s LEU 51 Cb -0.15 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.07 1wgv s LEU 51 CO -0.02 0.12 0.00 -1.20 0.23 0.00 0.00 176.35 175.47 1wgv n SER 52 N 3.41 0.18 0.00 2.29 7.64 -1.25 -5.06 113.62 120.84 1wgv n SER 52 Ca -0.20 0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1wgv n SER 52 Cb 0.53 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1wgv n SER 52 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wgv n SER 53 N -3.32 0.00 -2.03 6.43 2.88 -1.26 -4.66 113.62 111.66 1wgv n SER 53 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 1wgv n SER 53 Cb 0.03 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.53 1wgv n SER 53 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wgv n SER 54 N 0.00 4.15 -3.57 -3.46 3.41 -1.26 -1.28 113.62 111.60 1wgv n SER 54 Ca 0.00 -3.49 -0.15 0.00 -0.26 0.00 0.00 58.87 54.97 1wgv n SER 54 Cb 0.00 -0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 63.51 1wgv n SER 54 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wgv s SER 55 N -3.58 -0.63 0.01 4.04 1.04 -1.26 -0.94 113.70 112.38 1wgv s SER 55 Ca 0.46 0.91 -0.07 0.00 0.48 0.00 0.00 55.95 57.73 1wgv s SER 55 Cb 0.39 0.82 -0.00 0.00 0.10 0.00 0.00 66.02 67.33 1wgv s SER 55 CO 0.02 -0.42 0.13 -0.51 0.98 0.00 0.00 173.24 173.44 1wgv s ILE 56 N -0.57 0.10 -0.04 -1.02 -1.16 -1.16 -3.75 121.20 113.60 1wgv s ILE 56 Ca -0.05 -0.79 -0.02 0.00 -0.51 0.00 0.00 60.65 59.27 1wgv s ILE 56 Cb -0.02 -0.56 0.02 0.00 0.61 0.00 0.00 42.46 42.50 1wgv s ILE 56 CO 0.05 -0.44 0.08 -0.60 -2.81 0.00 0.00 174.94 171.22 1wgv s ARG 57 N -1.74 0.07 -0.28 3.50 3.52 -1.14 -2.66 118.95 120.22 1wgv s ARG 57 Ca -0.12 0.18 -0.04 0.00 -0.13 0.00 0.00 55.73 55.62 1wgv s ARG 57 Cb -0.06 -0.05 0.10 0.00 -1.56 0.00 0.00 34.95 33.38 1wgv s ARG 57 CO -0.00 -0.07 0.14 0.08 -0.81 0.00 0.00 175.30 174.64 1wgv s VAL 58 N 0.45 -0.10 0.20 7.11 1.01 0.51 -3.31 120.40 126.27 1wgv s VAL 58 Ca -0.03 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.33 1wgv s VAL 58 Cb -0.05 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1wgv s VAL 58 CO -0.02 -0.68 -0.16 0.00 0.00 0.00 0.00 175.10 174.24 1wgv s ALA 59 N 2.13 2.11 0.01 5.51 0.00 -0.85 0.95 121.76 131.62 1wgv s ALA 59 Ca 0.09 -1.63 0.01 0.00 0.00 0.00 0.00 51.96 50.43 1wgv s ALA 59 Cb -0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1wgv s ALA 59 CO -0.35 0.15 -0.04 0.00 0.00 0.00 0.00 175.76 175.53 1wgv s MET 60 N -3.33 0.28 0.02 0.00 0.23 0.94 -0.79 119.30 116.65 1wgv s MET 60 Ca 0.21 -0.31 -0.30 0.00 -1.03 0.00 0.00 55.69 54.26 1wgv s MET 60 Cb -0.03 -0.16 -0.04 0.00 -1.53 0.00 0.00 34.83 33.07 1wgv s MET 60 CO 0.08 0.03 1.07 -0.51 -2.03 0.00 0.00 175.02 173.66 1wgv s LEU 61 N -0.61 4.36 0.00 0.18 1.43 0.53 -0.50 118.68 124.07 1wgv s LEU 61 Ca -0.04 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 1wgv s LEU 61 Cb -0.04 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1wgv s LEU 61 CO -0.00 -0.35 0.00 -0.62 0.23 0.00 0.00 176.35 175.60 1wgv n GLU 62 N 3.99 0.00 0.06 1.70 -0.58 -0.59 -4.91 120.64 120.30 1wgv n GLU 62 Ca 0.07 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1wgv n GLU 62 Cb 0.49 -0.57 0.00 0.00 -0.57 0.00 0.00 31.44 30.79 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 -2.13 0.00 0.00 3.49 0.00 -1.26 -4.91 120.64 115.83 1wgv n GLU 63 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.28 1wgv n GLU 63 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 31.44 31.73 1wgv n GLU 63 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1wgv n ASN 64 N -2.68 0.77 0.00 4.31 3.02 -1.26 -4.97 115.26 114.44 1wgv n ASN 64 Ca 0.00 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 1wgv n ASN 64 Cb 0.00 0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 1wgv n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wgv n GLY 65 N 1.43 2.95 2.77 7.41 0.00 -1.26 -5.19 105.19 113.29 1wgv n GLY 65 Ca 0.08 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 0.76 -3.75 1.61 0.00 -1.26 -1.54 120.64 116.46 1wgv n GLU 66 Ca 0.00 -1.83 -0.13 0.00 0.00 0.00 0.00 57.16 55.21 1wgv n GLU 66 Cb 0.00 2.09 -0.11 0.00 0.00 0.00 0.00 31.44 33.43 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 -2.23 0.39 -0.73 3.44 3.52 0.34 -4.81 118.95 118.88 1wgv s ARG 67 Ca 0.15 0.49 -0.21 0.00 -0.13 0.00 0.00 55.73 56.03 1wgv s ARG 67 Cb -0.03 0.18 0.09 0.00 -1.56 0.00 0.00 34.95 33.63 1wgv s ARG 67 CO 0.11 -0.05 0.98 0.08 -0.81 0.00 0.00 175.30 175.61 1wgv s VAL 68 N 0.25 4.50 0.07 7.11 1.01 -1.26 -0.04 120.40 132.03 1wgv s VAL 68 Ca -0.01 -0.78 -0.37 0.00 0.00 0.00 0.00 61.98 60.82 1wgv s VAL 68 Cb -0.03 -4.69 -0.20 0.00 0.00 0.00 0.00 36.38 31.46 1wgv s VAL 68 CO -0.00 -1.43 1.58 -0.07 0.00 0.00 0.00 175.10 175.18 1wgv h LEU 69 N 10.92 -1.10 -7.85 3.92 3.38 0.25 -3.44 115.31 121.40 1wgv h LEU 69 Ca -0.16 0.04 -0.42 0.00 0.09 0.00 0.00 57.88 57.43 1wgv h LEU 69 Cb 1.06 0.29 -0.33 0.00 0.09 0.00 0.00 40.66 41.77 1wgv h LEU 69 CO 1.15 -0.75 -0.78 -0.32 0.09 0.00 0.00 178.44 177.83 1wgv s MET 70 N -5.99 0.98 -0.01 1.13 0.00 -0.24 -4.70 119.30 110.47 1wgv s MET 70 Ca -0.19 -0.21 -0.29 0.00 0.00 0.00 0.00 55.69 55.00 1wgv s MET 70 Cb 0.03 -0.91 0.08 0.00 0.00 0.00 0.00 34.83 34.02 1wgv s MET 70 CO 0.61 -0.01 0.71 -2.00 0.00 0.00 0.00 175.02 174.33 1wgv s GLU 71 N 0.64 1.05 0.00 4.11 -6.30 -1.26 0.19 118.70 117.13 1wgv s GLU 71 Ca -0.10 0.03 0.00 0.00 -2.50 0.00 0.00 54.97 52.41 1wgv s GLU 71 Cb -0.13 0.49 0.00 0.00 0.00 0.00 0.00 34.13 34.50 1wgv s GLU 71 CO 0.01 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.33 1wgv n GLY 72 N 0.50 4.17 3.69 -1.50 0.00 -1.09 -5.03 105.19 105.94 1wgv n GLY 72 Ca -0.17 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.06 4.27 0.85 1.61 -0.14 -1.26 -2.99 119.74 119.02 1wgv s LYS 73 Ca 0.00 2.08 -0.12 0.00 -1.36 0.00 0.00 55.97 56.57 1wgv s LYS 73 Cb 0.00 -3.52 0.11 0.00 -1.68 0.00 0.00 37.83 32.74 1wgv s LYS 73 CO 0.00 -0.59 1.17 -0.51 -0.76 0.00 0.00 175.35 174.66 1wgv s LEU 74 N 2.21 3.00 0.16 3.17 1.43 -0.12 -1.56 118.68 126.97 1wgv s LEU 74 Ca 0.66 2.25 -0.05 0.00 -1.03 0.00 0.00 54.13 55.96 1wgv s LEU 74 Cb -0.35 -4.57 0.03 0.00 0.03 0.00 0.00 46.19 41.33 1wgv s LEU 74 CO 0.29 -2.84 1.44 0.71 0.23 0.00 0.00 176.35 176.18 1wgv h THR 75 N -1.37 1.32 -3.74 5.49 1.35 -1.77 -3.41 112.91 110.78 1wgv h THR 75 Ca -0.45 -1.91 -0.26 0.00 -0.55 0.00 0.00 66.41 63.25 1wgv h THR 75 Cb 1.28 1.88 -0.06 0.00 -1.73 0.00 0.00 68.15 69.51 1wgv h THR 75 CO 0.44 0.59 -0.23 1.41 -0.25 0.00 0.00 175.52 177.49 1wgv n HIS 76 N -3.93 -0.07 -2.48 4.73 8.25 -1.26 -4.99 115.22 115.47 1wgv n HIS 76 Ca -0.04 -1.31 -0.23 0.00 -0.26 0.00 0.00 57.72 55.88 1wgv n HIS 76 Cb 0.66 0.04 0.06 0.00 1.12 0.00 0.00 29.99 31.88 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 -2.73 2.21 0.06 -0.41 1.02 -1.26 -4.19 119.74 114.45 1wgv s LYS 77 Ca 0.13 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.42 1wgv s LYS 77 Cb 0.01 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 1wgv s LYS 77 CO 0.09 -1.07 0.08 0.44 -0.92 0.00 0.00 175.35 173.98 1wgv n ILE 78 N -2.65 0.00 -3.51 2.17 -6.64 -0.41 -4.43 119.36 103.89 1wgv n ILE 78 Ca 0.10 -0.35 -0.32 0.00 -1.77 0.00 0.00 62.75 60.41 1wgv n ILE 78 Cb 0.60 0.20 -0.07 0.00 -1.44 0.00 0.00 39.64 38.93 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 -2.21 4.16 -0.37 7.28 2.85 -0.35 -4.78 115.26 121.84 1wgv n ASN 79 Ca 0.00 -3.31 0.34 0.00 -0.11 0.00 0.00 54.58 51.50 1wgv n ASN 79 Cb 0.11 -0.89 0.61 0.00 1.24 0.00 0.00 39.78 40.85 1wgv n ASN 79 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1wgv h THR 80 N 3.69 0.04 0.01 -0.44 1.35 -1.87 1.42 112.91 117.10 1wgv h THR 80 Ca 0.18 -0.01 0.01 0.00 -0.55 0.00 0.00 66.41 66.04 1wgv h THR 80 Cb 0.71 -0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.12 1wgv h THR 80 CO 0.90 0.01 -0.06 -0.33 -0.25 0.00 0.00 175.52 175.78 1wgv h GLU 81 N 0.04 -0.10 0.00 4.72 5.08 -1.94 -2.13 114.58 120.25 1wgv h GLU 81 Ca 0.85 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 59.16 1wgv h GLU 81 Cb 2.38 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.65 1wgv h GLU 81 CO -0.65 -0.07 -0.24 0.77 -1.00 0.00 0.00 179.01 177.83 1wgv h SER 82 N -0.11 0.00 -4.31 1.42 0.02 0.68 -3.45 113.55 107.80 1wgv h SER 82 Ca 0.02 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.46 1wgv h SER 82 Cb 0.13 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.76 1wgv h SER 82 CO -0.06 0.24 0.37 -0.44 -1.14 0.00 0.00 176.83 175.80 1wgv s SER 83 N -6.25 5.44 0.37 3.07 0.01 0.40 -4.74 113.70 112.00 1wgv s SER 83 Ca 0.04 1.65 -0.06 0.00 1.31 0.00 0.00 55.95 58.90 1wgv s SER 83 Cb 0.07 -2.50 0.02 0.00 0.21 0.00 0.00 66.02 63.82 1wgv s SER 83 CO 0.68 -1.40 0.57 -1.48 0.41 0.00 0.00 173.24 172.02 1wgv s LEU 84 N -5.36 0.77 -0.29 2.44 0.05 -0.79 -4.86 118.68 110.64 1wgv s LEU 84 Ca 0.59 -1.44 -0.15 0.00 0.05 0.00 0.00 54.13 53.18 1wgv s LEU 84 Cb -0.14 1.87 0.12 0.00 -2.05 0.00 0.00 46.19 45.99 1wgv s LEU 84 CO 0.52 -1.44 0.82 -1.66 -0.55 0.00 0.00 176.35 174.04 1wgv s TRP 85 N -2.72 -0.90 -0.02 3.48 1.48 -1.26 -1.06 118.94 117.94 1wgv s TRP 85 Ca 0.27 1.71 0.06 0.00 -1.06 0.00 0.00 56.10 57.07 1wgv s TRP 85 Cb -0.02 0.54 -0.01 0.00 -1.16 0.00 0.00 33.47 32.81 1wgv s TRP 85 CO 0.19 -0.44 -0.19 -1.54 -4.06 0.00 0.00 176.95 170.91 1wgv s SER 86 N 1.83 2.22 -0.11 -2.66 1.04 0.16 -4.97 113.70 111.21 1wgv s SER 86 Ca -0.08 -0.35 -0.06 0.00 0.48 0.00 0.00 55.95 55.94 1wgv s SER 86 Cb -0.06 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 65.73 1wgv s SER 86 CO -0.18 0.22 0.11 -0.22 0.98 0.00 0.00 173.24 174.16 1wgv s LEU 87 N -0.39 4.24 -0.08 2.42 1.98 -1.26 0.12 118.68 125.71 1wgv s LEU 87 Ca 0.06 0.41 0.05 0.00 -2.89 0.00 0.00 54.13 51.76 1wgv s LEU 87 Cb -0.08 -2.02 -0.01 0.00 0.66 0.00 0.00 46.19 44.74 1wgv s LEU 87 CO -0.00 0.40 -0.23 -1.61 -1.89 0.00 0.00 176.35 173.02 1wgv s GLU 88 N -0.99 2.78 -0.06 1.98 2.02 -0.87 -4.96 118.70 118.60 1wgv s GLU 88 Ca 0.15 -0.87 -0.30 0.00 0.02 0.00 0.00 54.97 53.97 1wgv s GLU 88 Cb -0.12 -2.26 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 1wgv s GLU 88 CO 0.04 0.32 1.22 -1.25 0.02 0.00 0.00 175.26 175.60 1wgv s PRO 89 N 0.01 4.33 -1.35 0.39 0.04 -1.26 -3.35 135.00 133.82 1wgv s PRO 89 Ca -0.08 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.60 1wgv s PRO 89 Cb -0.15 -3.58 0.02 0.00 0.04 0.00 0.00 34.50 30.83 1wgv s PRO 89 CO 0.05 -0.48 0.91 0.41 0.04 0.00 0.00 177.00 177.94 1wgv n GLY 90 N 3.41 -0.40 0.00 0.56 0.00 -0.72 -4.86 105.19 103.18 1wgv n GLY 90 Ca 0.11 0.16 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 -4.47 0.00 -3.82 1.61 4.76 -1.21 -4.96 118.16 110.06 1wgv n LYS 91 Ca -0.16 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.20 1wgv n LYS 91 Cb 0.62 0.00 0.01 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 -2.61 5.24 -0.17 0.00 1.01 0.52 -2.04 120.40 122.36 1wgv s VAL 93 Ca 0.15 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 1wgv s VAL 93 Cb -0.05 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1wgv s VAL 93 CO 0.10 0.53 0.09 -0.22 0.00 0.00 0.00 175.10 175.59 1wgv s LEU 94 N -0.28 4.00 -0.04 3.92 1.98 0.31 -1.72 118.68 126.85 1wgv s LEU 94 Ca 0.10 0.19 -0.01 0.00 -2.89 0.00 0.00 54.13 51.53 1wgv s LEU 94 Cb -0.12 -2.00 0.03 0.00 0.66 0.00 0.00 46.19 44.76 1wgv s LEU 94 CO 0.01 0.23 0.03 -0.69 -1.89 0.00 0.00 176.35 174.05 1wgv s VAL 95 N 0.01 0.01 -0.16 1.68 1.01 -1.13 0.40 120.40 122.23 1wgv s VAL 95 Ca 0.07 0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 1wgv s VAL 95 Cb -0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1wgv s VAL 95 CO 0.00 0.15 -0.09 0.20 0.00 0.00 0.00 175.10 175.37 1wgv s ASN 96 N 1.59 4.24 -0.21 3.32 0.01 -0.22 -3.23 114.94 120.44 1wgv s ASN 96 Ca -0.02 -0.31 -0.02 0.00 -0.71 0.00 0.00 52.86 51.80 1wgv s ASN 96 Cb -0.13 -1.68 0.01 0.00 0.41 0.00 0.00 41.25 39.87 1wgv s ASN 96 CO -0.03 0.11 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.81 1wgv s LEU 97 N 0.67 2.71 -0.40 0.60 1.43 -1.05 -1.88 118.68 120.76 1wgv s LEU 97 Ca -0.05 -0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 52.27 1wgv s LEU 97 Cb -0.15 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.45 1wgv s LEU 97 CO 0.02 -0.04 0.45 -0.44 0.23 0.00 0.00 176.35 176.57 1wgv s SER 98 N 1.37 6.21 0.43 2.29 0.01 -1.26 -2.32 113.70 120.43 1wgv s SER 98 Ca 0.04 -0.50 -0.26 0.00 1.31 0.00 0.00 55.95 56.54 1wgv s SER 98 Cb -0.14 -2.23 -0.09 0.00 0.21 0.00 0.00 66.02 63.76 1wgv s SER 98 CO -0.07 -0.54 1.35 0.29 0.41 0.00 0.00 173.24 174.67 1wgv n LYS 99 N 5.63 2.10 -1.13 12.44 5.02 -1.26 -1.21 118.16 139.75 1wgv n LYS 99 Ca -0.07 0.75 -0.20 0.00 -2.02 0.00 0.00 58.31 56.77 1wgv n LYS 99 Cb 0.48 -2.49 -0.02 0.00 -0.02 0.00 0.00 35.03 32.98 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 -0.16 2.98 0.00 -0.18 0.24 -1.26 -4.76 118.33 115.19 1wgv n VAL 100 Ca 0.06 -2.13 0.00 0.00 -2.04 0.00 0.00 64.34 60.23 1wgv n VAL 100 Cb 0.40 -1.51 0.00 0.00 -1.47 0.00 0.00 33.84 31.27 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 0.80 1.84 3.56 7.63 0.00 -1.26 -4.97 105.19 112.78 1wgv n GLY 101 Ca 0.37 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 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 2.40 0.14 1.61 2.02 -1.26 -4.91 118.70 117.22 1wgv s GLU 102 Ca 0.00 0.33 0.06 0.00 0.02 0.00 0.00 54.97 55.38 1wgv s GLU 102 Cb 0.00 -4.73 -0.04 0.00 0.10 0.00 0.00 34.13 29.46 1wgv s GLU 102 CO 0.00 -3.28 -0.14 0.71 0.02 0.00 0.00 175.26 172.56 1wgv s TYR 103 N 10.60 1.50 -0.28 1.61 2.02 -1.26 -5.13 117.35 126.42 1wgv s TYR 103 Ca 0.75 -0.56 -0.09 0.00 -0.37 0.00 0.00 57.07 56.80 1wgv s TYR 103 Cb -0.11 -0.76 -0.02 0.00 -0.40 0.00 0.00 41.96 40.67 1wgv s TYR 103 CO 0.11 0.20 0.12 -0.46 -1.57 0.00 0.00 175.55 173.94 1wgv s TRP 104 N -2.33 3.14 -0.23 2.71 -0.11 -1.26 -5.07 118.94 115.79 1wgv s TRP 104 Ca 0.12 -0.40 -0.11 0.00 1.22 0.00 0.00 56.10 56.93 1wgv s TRP 104 Cb -0.04 -2.30 -0.05 0.00 -1.50 0.00 0.00 33.47 29.58 1wgv s TRP 104 CO 0.04 -0.37 0.20 -1.58 -4.62 0.00 0.00 176.95 170.62 1wgv s TRP 105 N 1.63 3.33 -1.43 5.86 0.52 -1.26 -4.92 118.94 122.67 1wgv s TRP 105 Ca 0.06 0.30 0.13 0.00 0.02 0.00 0.00 56.10 56.60 1wgv s TRP 105 Cb -0.16 -2.31 0.07 0.00 -1.15 0.00 0.00 33.47 29.91 1wgv s TRP 105 CO 0.06 0.06 0.84 0.27 0.02 0.00 0.00 176.95 178.20 1wgv n ASN 106 N 4.29 1.82 -3.60 2.95 0.23 -1.26 -4.92 115.26 114.77 1wgv n ASN 106 Ca -0.14 -1.41 -0.03 0.00 -0.53 0.00 0.00 54.58 52.47 1wgv n ASN 106 Cb 0.52 0.16 -0.02 0.00 -2.08 0.00 0.00 39.78 38.36 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 -1.23 -2.11 -0.13 -2.53 0.00 -1.26 -2.15 121.76 112.36 1wgv s ALA 107 Ca 0.13 1.47 -0.18 0.00 0.00 0.00 0.00 51.96 53.38 1wgv s ALA 107 Cb 0.10 -0.05 -0.26 0.00 0.00 0.00 0.00 23.12 22.91 1wgv s ALA 107 CO 0.21 -0.67 0.52 0.82 0.00 0.00 0.00 175.76 176.64 1wgv h ILE 108 N 2.00 1.10 -2.07 0.00 1.08 -1.94 -3.42 117.51 114.25 1wgv h ILE 108 Ca -0.12 -2.36 -0.56 0.00 -0.39 0.00 0.00 64.86 61.43 1wgv h ILE 108 Cb 1.17 2.71 -0.09 0.00 -3.07 0.00 0.00 36.82 37.53 1wgv h ILE 108 CO 0.23 0.63 -0.61 -0.76 -0.69 0.00 0.00 178.15 176.94 1wgv s LEU 109 N -7.68 3.17 0.26 1.44 1.43 -1.26 -2.78 118.68 113.25 1wgv s LEU 109 Ca -0.21 -0.74 0.24 0.00 -1.03 0.00 0.00 54.13 52.39 1wgv s LEU 109 Cb 0.04 -1.65 0.97 0.00 0.03 0.00 0.00 46.19 45.57 1wgv s LEU 109 CO 0.73 -0.11 1.73 -0.62 0.23 0.00 0.00 176.35 178.30 1wgv n GLU 110 N -0.97 0.21 0.09 1.70 1.02 -0.60 -2.63 120.64 119.46 1wgv n GLU 110 Ca -0.05 0.40 -0.22 0.00 -0.02 0.00 0.00 57.16 57.27 1wgv n GLU 110 Cb 0.60 -1.88 -0.13 0.00 -0.02 0.00 0.00 31.44 30.02 1wgv n GLU 110 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1wgv h GLY 111 N 2.60 0.68 -7.10 0.62 0.00 -1.95 -3.43 103.07 94.50 1wgv h GLY 111 Ca 0.00 -1.43 -0.55 0.00 0.00 0.00 0.00 47.33 45.35 1wgv h GLY 111 CO 0.00 1.26 1.24 1.85 0.00 0.00 0.00 176.54 180.89 1wgv s GLU 112 N -2.97 3.14 0.82 4.80 2.12 -1.08 -4.95 118.70 120.58 1wgv s GLU 112 Ca -0.09 0.93 -0.17 0.00 0.36 0.00 0.00 54.97 56.00 1wgv s GLU 112 Cb 0.06 -4.22 -0.13 0.00 0.26 0.00 0.00 34.13 30.09 1wgv s GLU 112 CO 0.93 -2.11 -0.45 0.39 -0.54 0.00 0.00 175.26 173.48 1wgv n GLU 113 N 8.66 0.01 -2.37 4.30 1.02 -1.26 -4.70 120.64 126.30 1wgv n GLU 113 Ca 0.19 0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.91 1wgv n GLU 113 Cb 0.49 -1.09 -0.02 0.00 -0.02 0.00 0.00 31.44 30.80 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 -1.80 3.73 0.92 3.49 0.04 -1.26 -4.72 135.00 135.40 1wgv s PRO 114 Ca 0.48 1.11 -0.15 0.00 0.04 0.00 0.00 61.00 62.48 1wgv s PRO 114 Cb -0.29 -3.96 -0.06 0.00 0.04 0.00 0.00 34.50 30.22 1wgv s PRO 114 CO 0.75 -1.36 -0.10 0.44 0.04 0.00 0.00 177.00 176.77 1wgv n ILE 115 N 6.67 0.20 -3.83 0.56 -5.35 -0.91 -4.96 119.36 111.74 1wgv n ILE 115 Ca 0.16 -0.36 -0.30 0.00 -0.27 0.00 0.00 62.75 61.98 1wgv n ILE 115 Cb 0.47 -0.35 -0.14 0.00 -1.74 0.00 0.00 39.64 37.88 1wgv n ILE 115 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1wgv s ASP 116 N -1.49 4.11 0.00 7.28 1.47 -1.26 -4.92 116.67 121.86 1wgv s ASP 116 Ca 0.51 -2.40 0.23 0.00 1.18 0.00 0.00 52.55 52.06 1wgv s ASP 116 Cb -0.23 -1.25 1.22 0.00 -0.34 0.00 0.00 42.92 42.32 1wgv s ASP 116 CO 0.73 -0.31 1.73 2.30 0.68 0.00 0.00 175.17 180.30 1wgv n ILE 117 N 3.88 0.20 -2.79 2.11 -6.64 -1.26 -4.95 119.36 109.91 1wgv n ILE 117 Ca 0.05 0.05 -0.03 0.00 -1.77 0.00 0.00 62.75 61.04 1wgv n ILE 117 Cb 0.37 -0.68 -0.03 0.00 -1.44 0.00 0.00 39.64 37.86 1wgv n ILE 117 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 1wgv n ASP 118 N -1.18 -3.54 -4.54 7.28 -0.08 -1.26 -4.57 116.55 108.66 1wgv n ASP 118 Ca 0.13 1.20 -0.26 0.00 -1.51 0.00 0.00 54.79 54.35 1wgv n ASP 118 Cb 0.14 -3.98 -0.08 0.00 2.34 0.00 0.00 41.12 39.55 1wgv n ASP 118 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1wgv n SER 119 N 1.86 1.55 -3.80 1.67 2.88 -1.26 -4.83 113.62 111.68 1wgv n SER 119 Ca -0.24 -0.84 -0.09 0.00 -1.33 0.00 0.00 58.87 56.36 1wgv n SER 119 Cb 0.40 -1.45 -0.04 0.00 -0.75 0.00 0.00 64.21 62.36 1wgv n SER 119 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgv s GLY 120 N 10.24 0.07 -0.61 0.46 0.00 -1.26 -5.11 107.32 111.11 1wgv s GLY 120 Ca 1.03 -0.41 -0.27 0.00 0.00 0.00 0.00 44.72 45.07 1wgv s GLY 120 CO 0.24 -0.40 1.53 2.56 0.00 0.00 0.00 173.10 177.02 1wgv s PRO 121 N -3.90 3.08 0.39 2.90 0.04 -1.26 -4.81 135.00 131.44 1wgv s PRO 121 Ca 0.12 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.52 1wgv s PRO 121 Cb -0.00 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1wgv s PRO 121 CO -0.01 -2.22 0.00 0.43 0.04 0.00 0.00 177.00 175.24 1wgv n SER 122 N 10.47 -7.18 -4.42 6.66 7.64 -1.26 -4.92 113.62 120.61 1wgv n SER 122 Ca 0.13 0.82 -0.28 0.00 1.01 0.00 0.00 58.87 60.55 1wgv n SER 122 Cb 0.50 -4.12 -0.12 0.00 -1.01 0.00 0.00 64.21 59.46 1wgv n SER 122 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wgv s SER 123 N -6.44 3.48 0.00 6.43 0.01 -1.26 -5.13 113.70 110.79 1wgv s SER 123 Ca 0.00 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1wgv s SER 123 Cb 0.00 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.93 1wgv s SER 123 CO 0.00 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.42