#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgv h SER 2 N 0.00 -0.79 -5.03 1.61 0.87 -2.07 -3.49 113.55 104.65 1wgv h SER 2 Ca 0.00 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1wgv h SER 2 Cb 0.00 0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 62.09 1wgv h SER 2 CO 0.00 -0.45 -1.15 -0.24 -0.53 0.00 0.00 176.83 174.46 1wgv n SER 3 N -5.43 -3.63 0.00 6.23 2.88 -1.26 -5.04 113.62 107.37 1wgv n SER 3 Ca -0.13 1.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 1wgv n SER 3 Cb 0.39 -4.55 0.00 0.00 -0.75 0.00 0.00 64.21 59.29 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 1.89 -0.30 3.90 0.46 0.00 -1.26 -5.15 105.19 104.73 1wgv n GLY 4 Ca -0.24 0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 1.54 5.23 0.54 1.61 0.01 -1.26 -4.91 113.70 116.46 1wgv s SER 5 Ca 0.00 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.17 1wgv s SER 5 Cb 0.00 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.56 1wgv s SER 5 CO 0.00 -1.42 0.00 -1.20 0.41 0.00 0.00 173.24 171.03 1wgv n SER 6 N -2.97 -7.25 0.00 2.44 7.64 -1.26 -5.08 113.62 107.14 1wgv n SER 6 Ca 0.07 1.52 0.00 0.00 1.01 0.00 0.00 58.87 61.46 1wgv n SER 6 Cb 0.58 -4.39 0.00 0.00 -1.01 0.00 0.00 64.21 59.40 1wgv n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgv n GLY 7 N -3.13 1.87 2.12 0.23 0.00 -1.26 -5.11 105.19 99.91 1wgv n GLY 7 Ca -0.03 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.15 0.00 -4.49 1.61 1.13 -1.26 -5.15 117.38 109.37 1wgv n GLN 8 Ca 0.00 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.82 1wgv n GLN 8 Cb 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.24 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 1.70 -0.05 -1.09 -0.14 -1.26 -5.16 119.74 111.75 1wgv s LYS 9 Ca 0.00 -1.89 -0.11 0.00 -1.36 0.00 0.00 55.97 52.61 1wgv s LYS 9 Cb 0.00 -1.36 0.02 0.00 -1.68 0.00 0.00 37.83 34.81 1wgv s LYS 9 CO 0.00 0.04 0.26 0.54 -0.76 0.00 0.00 175.35 175.43 1wgv s ASN 10 N -3.54 -0.18 1.10 2.83 4.22 -1.26 -5.17 114.94 112.94 1wgv s ASN 10 Ca 0.32 0.20 -0.15 0.00 -2.14 0.00 0.00 52.86 51.10 1wgv s ASN 10 Cb 0.05 0.39 0.21 0.00 1.28 0.00 0.00 41.25 43.17 1wgv s ASN 10 CO 0.15 -0.30 0.95 -0.81 -2.04 0.00 0.00 177.10 175.05 1wgv n PRO 11 N 1.94 -1.83 -3.22 3.55 -0.04 -1.26 -5.02 135.00 129.12 1wgv n PRO 11 Ca -0.19 -1.49 -0.39 0.00 -0.04 0.00 0.00 63.50 61.40 1wgv n PRO 11 Cb 0.57 -1.17 -0.06 0.00 -0.04 0.00 0.00 33.50 32.80 1wgv n PRO 11 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wgv s ASP 12 N -4.31 6.80 -0.12 3.54 1.01 -1.26 -4.65 116.67 117.68 1wgv s ASP 12 Ca 0.57 0.96 -0.08 0.00 0.71 0.00 0.00 52.55 54.71 1wgv s ASP 12 Cb -0.03 -2.33 0.03 0.00 1.01 0.00 0.00 42.92 41.60 1wgv s ASP 12 CO 0.42 -0.03 0.16 -1.54 0.21 0.00 0.00 175.17 174.39 1wgv n SER 13 N 3.65 -2.94 -3.71 0.27 3.41 -1.26 -5.04 113.62 108.00 1wgv n SER 13 Ca -0.05 1.23 -0.12 0.00 -0.26 0.00 0.00 58.87 59.68 1wgv n SER 13 Cb 0.51 -3.99 -0.12 0.00 -0.26 0.00 0.00 64.21 60.36 1wgv n SER 13 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1wgv s TYR 14 N -0.43 -0.45 0.00 7.33 -0.85 -1.26 -4.84 117.35 116.85 1wgv s TYR 14 Ca -0.19 1.01 0.00 0.00 -0.52 0.00 0.00 57.07 57.38 1wgv s TYR 14 Cb 0.01 0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.50 1wgv s TYR 14 CO 0.50 -0.28 0.00 -1.71 -1.52 0.00 0.00 175.55 172.54 1wgv n ASN 15 N 4.20 0.00 0.00 -0.18 2.85 -1.26 -5.10 115.26 115.78 1wgv n ASN 15 Ca -0.24 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.23 1wgv n ASN 15 Cb 0.54 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.56 1wgv n ASN 15 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wgv n GLY 16 N 0.00 1.35 2.91 8.20 0.00 -1.26 -4.95 105.19 111.44 1wgv n GLY 16 Ca 0.00 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 1.36 0.44 4.61 0.00 -1.26 -5.06 121.76 119.86 1wgv s ALA 17 Ca 0.00 -0.59 0.08 0.00 0.00 0.00 0.00 51.96 51.45 1wgv s ALA 17 Cb 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 23.12 22.19 1wgv s ALA 17 CO 0.00 -0.45 0.50 0.14 0.00 0.00 0.00 175.76 175.94 1wgv s VAL 18 N 1.70 2.65 0.08 0.00 -7.23 -1.26 -4.43 120.40 111.91 1wgv s VAL 18 Ca 0.05 -1.19 -0.27 0.00 -1.81 0.00 0.00 61.98 58.76 1wgv s VAL 18 Cb -0.13 -2.84 0.08 0.00 0.56 0.00 0.00 36.38 34.05 1wgv s VAL 18 CO -0.08 0.00 0.91 -0.13 -0.31 0.00 0.00 175.10 175.49 1wgv s ARG 19 N -4.28 1.02 -1.54 4.82 1.81 -1.26 -5.05 118.95 114.47 1wgv s ARG 19 Ca 0.51 -0.48 -0.11 0.00 -1.72 0.00 0.00 55.73 53.93 1wgv s ARG 19 Cb -0.06 0.40 -0.02 0.00 -0.45 0.00 0.00 34.95 34.82 1wgv s ARG 19 CO 0.30 -0.46 2.65 -0.85 -0.68 0.00 0.00 175.30 176.27 1wgv n GLU 20 N -0.36 3.50 0.17 3.54 0.28 -1.26 -3.69 120.64 122.82 1wgv n GLU 20 Ca -0.08 -2.47 0.00 0.00 -0.16 0.00 0.00 57.16 54.45 1wgv n GLU 20 Cb 0.61 -2.94 0.00 0.00 1.43 0.00 0.00 31.44 30.54 1wgv n GLU 20 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1wgv n ASN 21 N 4.24 -3.05 -3.64 -1.84 5.15 -1.26 -5.14 115.26 109.72 1wgv n ASN 21 Ca 0.68 0.70 -0.07 0.00 -0.60 0.00 0.00 54.58 55.29 1wgv n ASN 21 Cb 0.29 2.96 -0.07 0.00 -0.53 0.00 0.00 39.78 42.42 1wgv n ASN 21 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1wgv s TYR 22 N -1.78 -1.05 0.46 1.20 -0.85 -1.24 -4.61 117.35 109.47 1wgv s TYR 22 Ca 0.00 2.10 -0.08 0.00 -0.52 0.00 0.00 57.07 58.57 1wgv s TYR 22 Cb 0.00 0.62 -0.05 0.00 0.38 0.00 0.00 41.96 42.92 1wgv s TYR 22 CO 0.00 -0.53 0.79 0.95 -1.52 0.00 0.00 175.55 175.25 1wgv s THR 23 N 1.69 4.85 0.15 -3.49 -4.23 -0.90 -4.41 115.64 109.30 1wgv s THR 23 Ca -0.10 0.40 -0.24 0.00 -1.18 0.00 0.00 61.69 60.57 1wgv s THR 23 Cb -0.06 -3.81 0.06 0.00 1.34 0.00 0.00 72.50 70.03 1wgv s THR 23 CO -0.19 -0.74 0.82 -1.66 -0.54 0.00 0.00 174.62 172.30 1wgv s TRP 24 N -2.62 -0.27 0.06 3.99 1.48 -1.26 -0.88 118.94 119.43 1wgv s TRP 24 Ca 0.49 -0.02 -0.12 0.00 -1.06 0.00 0.00 56.10 55.39 1wgv s TRP 24 Cb -0.10 0.62 0.01 0.00 -1.16 0.00 0.00 33.47 32.84 1wgv s TRP 24 CO 0.40 -0.88 0.27 -1.54 -4.06 0.00 0.00 176.95 171.15 1wgv s SER 25 N -2.80 -0.06 -0.18 -2.66 1.04 -0.92 -4.41 113.70 103.70 1wgv s SER 25 Ca 0.08 -0.31 -0.05 0.00 0.48 0.00 0.00 55.95 56.16 1wgv s SER 25 Cb -0.02 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 1wgv s SER 25 CO -0.02 -0.64 -0.01 0.00 0.98 0.00 0.00 173.24 173.55 1wgv s GLN 26 N -2.85 3.68 0.41 4.02 1.03 -1.26 -2.95 119.66 121.75 1wgv s GLN 26 Ca -0.03 -0.50 0.07 0.00 0.04 0.00 0.00 55.36 54.94 1wgv s GLN 26 Cb 0.00 -3.02 -0.06 0.00 0.03 0.00 0.00 33.01 29.97 1wgv s GLN 26 CO -0.05 0.14 0.16 0.34 -2.54 0.00 0.00 175.29 173.33 1wgv s ASP 27 N 0.66 4.34 0.44 12.60 2.15 -0.57 -4.98 116.67 131.31 1wgv s ASP 27 Ca -0.01 -1.13 0.36 0.00 0.43 0.00 0.00 52.55 52.19 1wgv s ASP 27 Cb -0.14 -0.45 1.45 0.00 -0.30 0.00 0.00 42.92 43.48 1wgv s ASP 27 CO 0.02 -0.54 1.43 0.00 -0.17 0.00 0.00 175.17 175.91 1wgv n TYR 28 N -1.20 0.42 -2.69 -5.34 9.36 -1.26 -3.40 117.16 113.05 1wgv n TYR 28 Ca -0.02 0.42 -0.05 0.00 3.32 0.00 0.00 57.90 61.58 1wgv n TYR 28 Cb 0.65 -0.86 0.05 0.00 -0.63 0.00 0.00 39.34 38.55 1wgv n TYR 28 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1wgv n THR 29 N -4.27 0.00 0.00 2.97 5.66 -1.26 -5.15 114.28 112.23 1wgv n THR 29 Ca 0.38 -0.69 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 1wgv n THR 29 Cb 1.58 1.00 0.00 0.00 -1.55 0.00 0.00 70.33 71.36 1wgv n THR 29 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1wgv n ASP 30 N 1.98 0.00 -3.89 1.09 2.03 -1.22 -4.70 116.55 111.85 1wgv n ASP 30 Ca 0.07 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.10 1wgv n ASP 30 Cb 0.66 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.90 1wgv n ASP 30 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wgv s LEU 31 N 0.00 1.65 -0.38 -2.67 1.02 -1.11 -1.51 118.68 115.67 1wgv s LEU 31 Ca 0.00 -0.70 -0.09 0.00 0.02 0.00 0.00 54.13 53.36 1wgv s LEU 31 Cb 0.00 -0.91 0.05 0.00 0.02 0.00 0.00 46.19 45.35 1wgv s LEU 31 CO 0.00 -0.19 0.20 -1.61 0.02 0.00 0.00 176.35 174.77 1wgv s GLU 32 N 1.63 2.65 -0.10 1.70 2.02 -1.15 -2.63 118.70 122.81 1wgv s GLU 32 Ca 0.00 -1.29 0.00 0.00 0.02 0.00 0.00 54.97 53.70 1wgv s GLU 32 Cb -0.16 -3.67 -0.02 0.00 0.10 0.00 0.00 34.13 30.38 1wgv s GLU 32 CO -0.08 -0.81 -0.10 0.54 0.02 0.00 0.00 175.26 174.84 1wgv s VAL 33 N 1.44 3.39 -0.08 2.63 0.11 -1.24 -2.16 120.40 124.50 1wgv s VAL 33 Ca 0.01 -0.57 0.04 0.00 -2.93 0.00 0.00 61.98 58.54 1wgv s VAL 33 Cb -0.21 -2.41 0.00 0.00 -1.53 0.00 0.00 36.38 32.23 1wgv s VAL 33 CO 0.03 0.55 -0.20 -0.13 -3.33 0.00 0.00 175.10 172.02 1wgv s ARG 34 N -0.14 2.47 -0.14 1.54 0.52 -0.06 -3.09 118.95 120.04 1wgv s ARG 34 Ca 0.01 -0.72 -0.02 0.00 -0.52 0.00 0.00 55.73 54.47 1wgv s ARG 34 Cb -0.13 -1.94 -0.02 0.00 0.52 0.00 0.00 34.95 33.37 1wgv s ARG 34 CO 0.03 0.17 -0.07 0.08 0.02 0.00 0.00 175.30 175.53 1wgv s VAL 35 N 0.34 3.61 0.24 3.52 1.01 -0.53 -2.13 120.40 126.45 1wgv s VAL 35 Ca -0.14 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 1wgv s VAL 35 Cb -0.16 -2.56 -0.09 0.00 0.00 0.00 0.00 36.38 33.57 1wgv s VAL 35 CO 0.06 0.51 1.09 -2.16 0.00 0.00 0.00 175.10 174.60 1wgv s PRO 36 N 0.30 4.63 0.26 2.72 0.04 -1.26 0.20 135.00 141.89 1wgv s PRO 36 Ca -0.06 1.76 0.11 0.00 0.04 0.00 0.00 61.00 62.85 1wgv s PRO 36 Cb -0.15 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.12 1wgv s PRO 36 CO 0.04 0.17 -0.19 0.14 0.04 0.00 0.00 177.00 177.20 1wgv s VAL 37 N -0.81 2.31 1.00 -0.36 -7.23 -0.96 -4.86 120.40 109.49 1wgv s VAL 37 Ca 0.46 -2.34 -0.17 0.00 -1.81 0.00 0.00 61.98 58.12 1wgv s VAL 37 Cb -0.31 -2.23 0.24 0.00 0.56 0.00 0.00 36.38 34.64 1wgv s VAL 37 CO 0.38 -0.43 1.10 -0.81 -0.31 0.00 0.00 175.10 175.04 1wgv n PRO 38 N -0.52 -2.04 -0.17 4.82 -0.04 -1.26 -4.42 135.00 131.38 1wgv n PRO 38 Ca -0.06 -1.72 0.05 0.00 -0.04 0.00 0.00 63.50 61.73 1wgv n PRO 38 Cb 0.60 -1.36 0.15 0.00 -0.04 0.00 0.00 33.50 32.85 1wgv n PRO 38 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wgv n LYS 39 N -4.02 1.78 0.00 0.54 4.01 -1.26 -3.18 118.16 116.03 1wgv n LYS 39 Ca 0.14 -1.18 0.06 0.00 -0.51 0.00 0.00 58.31 56.83 1wgv n LYS 39 Cb 0.53 -1.27 -0.01 0.00 -0.51 0.00 0.00 35.03 33.76 1wgv n LYS 39 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 1wgv n HIS 40 N 0.45 0.00 -3.35 2.13 1.44 -1.26 -4.83 115.22 109.80 1wgv n HIS 40 Ca 0.11 0.00 -0.45 0.00 -2.01 0.00 0.00 57.72 55.37 1wgv n HIS 40 Cb 0.29 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.34 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 -1.72 5.06 0.00 0.61 1.01 -1.19 -4.73 120.40 119.44 1wgv s VAL 41 Ca 0.10 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.50 1wgv s VAL 41 Cb 0.10 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1wgv s VAL 41 CO 0.36 -0.86 0.76 1.33 0.00 0.00 0.00 175.10 176.69 1wgv n VAL 42 N 5.16 0.00 0.00 2.92 0.24 -1.26 -1.48 118.33 123.91 1wgv n VAL 42 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1wgv n VAL 42 Cb 0.40 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 1wgv n VAL 42 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1wgv n LYS 43 N 0.00 0.00 0.00 7.34 4.76 -1.26 -4.79 118.16 124.21 1wgv n LYS 43 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1wgv n LYS 43 Cb 0.61 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.80 1wgv n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wgv n GLY 44 N 3.54 1.54 0.04 0.72 0.00 -1.26 -4.94 105.19 104.83 1wgv n GLY 44 Ca 0.00 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.09 0.15 1.61 2.85 -1.26 -2.61 118.16 118.99 1wgv n LYS 45 Ca 0.00 0.16 0.02 0.00 -1.05 0.00 0.00 58.31 57.44 1wgv n LYS 45 Cb 0.00 -1.62 0.13 0.00 -0.65 0.00 0.00 35.03 32.89 1wgv n LYS 45 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1wgv h GLN 46 N 0.00 0.00 -6.16 -1.58 4.20 -1.95 -3.44 115.11 106.18 1wgv h GLN 46 Ca 0.00 0.00 -0.68 0.00 0.06 0.00 0.00 58.65 58.03 1wgv h GLN 46 Cb 0.49 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.09 1wgv h GLN 46 CO 0.00 0.54 -0.68 0.14 -0.67 0.00 0.00 178.83 178.16 1wgv s VAL 47 N -3.22 3.79 0.17 -0.54 -7.23 -1.07 0.20 120.40 112.50 1wgv s VAL 47 Ca 0.02 -0.53 0.08 0.00 -1.81 0.00 0.00 61.98 59.74 1wgv s VAL 47 Cb 0.10 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 1wgv s VAL 47 CO 0.74 0.54 -0.06 -0.55 -0.31 0.00 0.00 175.10 175.45 1wgv s SER 48 N -1.01 4.47 -0.03 4.85 0.15 -0.27 -4.92 113.70 116.93 1wgv s SER 48 Ca 0.14 -0.48 -0.01 0.00 0.70 0.00 0.00 55.95 56.30 1wgv s SER 48 Cb -0.11 -0.85 0.03 0.00 -1.71 0.00 0.00 66.02 63.38 1wgv s SER 48 CO 0.04 0.11 0.06 -0.69 1.20 0.00 0.00 173.24 173.95 1wgv s VAL 49 N -1.65 -0.05 -0.22 4.45 1.01 -1.26 -2.94 120.40 119.75 1wgv s VAL 49 Ca 0.25 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1wgv s VAL 49 Cb -0.09 -0.11 0.06 0.00 0.00 0.00 0.00 36.38 36.23 1wgv s VAL 49 CO 0.16 0.07 -0.04 0.00 0.00 0.00 0.00 175.10 175.29 1wgv s ALA 50 N 0.91 1.76 -0.18 5.51 0.00 -0.76 -4.95 121.76 124.04 1wgv s ALA 50 Ca -0.07 -1.18 -0.02 0.00 0.00 0.00 0.00 51.96 50.69 1wgv s ALA 50 Cb -0.10 -1.35 -0.00 0.00 0.00 0.00 0.00 23.12 21.66 1wgv s ALA 50 CO -0.03 -1.13 -0.11 -0.51 0.00 0.00 0.00 175.76 173.98 1wgv s LEU 51 N 1.50 2.66 0.03 0.00 1.43 -1.26 -1.97 118.68 121.07 1wgv s LEU 51 Ca -0.04 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1wgv s LEU 51 Cb -0.18 -1.64 -0.00 0.00 0.03 0.00 0.00 46.19 44.40 1wgv s LEU 51 CO -0.07 0.04 -0.01 -1.20 0.23 0.00 0.00 176.35 175.35 1wgv n SER 52 N 4.35 0.47 0.00 2.29 7.64 -1.25 -5.02 113.62 122.10 1wgv n SER 52 Ca -0.19 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1wgv n SER 52 Cb 0.51 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 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 -2.92 0.00 -0.84 6.43 2.88 -1.26 -4.65 113.62 113.26 1wgv n SER 53 Ca -0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1wgv n SER 53 Cb 0.01 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.67 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 2.59 -3.43 -3.46 3.41 -1.26 -0.38 113.62 111.10 1wgv n SER 54 Ca 0.00 -3.55 -0.10 0.00 -0.26 0.00 0.00 58.87 54.96 1wgv n SER 54 Cb 0.00 -0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 63.37 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 -2.60 0.16 -0.02 4.04 0.15 -1.26 0.19 113.70 114.36 1wgv s SER 55 Ca 0.41 -1.08 -0.28 0.00 0.70 0.00 0.00 55.95 55.69 1wgv s SER 55 Cb 0.37 0.72 0.10 0.00 -1.71 0.00 0.00 66.02 65.49 1wgv s SER 55 CO 0.01 -1.40 0.82 -0.51 1.20 0.00 0.00 173.24 173.35 1wgv s ILE 56 N -3.18 0.00 -0.06 6.45 -1.16 -1.10 -3.97 121.20 118.18 1wgv s ILE 56 Ca 0.20 0.00 -0.03 0.00 -0.51 0.00 0.00 60.65 60.31 1wgv s ILE 56 Cb -0.03 -1.00 0.03 0.00 0.61 0.00 0.00 42.46 42.07 1wgv s ILE 56 CO 0.12 0.00 0.14 -0.60 -2.81 0.00 0.00 174.94 171.79 1wgv s ARG 57 N -2.39 0.10 -0.03 3.50 3.52 -0.83 -2.30 118.95 120.52 1wgv s ARG 57 Ca -0.01 0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.92 1wgv s ARG 57 Cb -0.01 -0.13 0.02 0.00 -1.56 0.00 0.00 34.95 33.27 1wgv s ARG 57 CO -0.04 -0.14 0.00 0.08 -0.81 0.00 0.00 175.30 174.40 1wgv s VAL 58 N 0.94 0.15 0.16 7.11 1.01 0.52 -1.83 120.40 128.47 1wgv s VAL 58 Ca -0.07 0.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.86 1wgv s VAL 58 Cb -0.09 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 36.06 1wgv s VAL 58 CO -0.05 0.13 0.38 0.00 0.00 0.00 0.00 175.10 175.56 1wgv s ALA 59 N 0.90 -0.46 -0.10 5.51 0.00 -1.15 -1.44 121.76 125.02 1wgv s ALA 59 Ca -0.09 -0.53 -0.09 0.00 0.00 0.00 0.00 51.96 51.25 1wgv s ALA 59 Cb -0.12 0.81 0.03 0.00 0.00 0.00 0.00 23.12 23.83 1wgv s ALA 59 CO -0.02 -0.69 0.27 0.00 0.00 0.00 0.00 175.76 175.32 1wgv s MET 60 N -3.91 0.30 0.05 0.00 0.23 0.72 -1.12 119.30 115.58 1wgv s MET 60 Ca 0.12 0.39 -0.31 0.00 -1.03 0.00 0.00 55.69 54.86 1wgv s MET 60 Cb 0.02 0.13 -0.06 0.00 -1.53 0.00 0.00 34.83 33.39 1wgv s MET 60 CO -0.03 -0.05 1.24 -0.51 -2.03 0.00 0.00 175.02 173.64 1wgv s LEU 61 N 0.24 4.36 -0.03 0.18 1.43 0.54 -0.84 118.68 124.55 1wgv s LEU 61 Ca -0.01 2.05 -0.03 0.00 -1.03 0.00 0.00 54.13 55.12 1wgv s LEU 61 Cb -0.03 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 1wgv s LEU 61 CO -0.00 -0.53 -0.06 -0.62 0.23 0.00 0.00 176.35 175.37 1wgv n GLU 62 N 4.15 0.11 0.00 1.70 -0.58 -0.49 -4.92 120.64 120.60 1wgv n GLU 62 Ca 0.10 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 1wgv n GLU 62 Cb 0.45 -0.81 0.00 0.00 -0.57 0.00 0.00 31.44 30.51 1wgv n GLU 62 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1wgv n GLU 63 N -2.85 0.00 0.00 3.49 -0.58 -1.26 -4.92 120.64 114.52 1wgv n GLU 63 Ca -0.02 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.85 1wgv n GLU 63 Cb 0.09 0.00 0.42 0.00 -0.57 0.00 0.00 31.44 31.38 1wgv n GLU 63 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1wgv n ASN 64 N -1.93 0.40 0.00 1.62 5.15 -1.26 -4.95 115.26 114.29 1wgv n ASN 64 Ca 0.00 -0.15 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 1wgv n ASN 64 Cb 0.00 -0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 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 1.45 3.14 1.18 8.20 0.00 -1.26 -5.19 105.19 112.70 1wgv n GLY 65 Ca 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 0.31 -3.71 1.61 0.00 -1.26 -1.40 120.64 116.18 1wgv n GLU 66 Ca 0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 57.16 56.21 1wgv n GLU 66 Cb 0.00 0.90 -0.10 0.00 0.00 0.00 0.00 31.44 32.25 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 -2.14 0.54 -0.73 3.44 3.52 -0.02 -4.79 118.95 118.77 1wgv s ARG 67 Ca 0.07 0.65 -0.21 0.00 -0.13 0.00 0.00 55.73 56.12 1wgv s ARG 67 Cb -0.01 0.25 0.09 0.00 -1.56 0.00 0.00 34.95 33.73 1wgv s ARG 67 CO 0.05 -0.07 0.97 0.08 -0.81 0.00 0.00 175.30 175.53 1wgv s VAL 68 N 0.29 4.52 0.09 7.11 1.01 -1.26 -0.20 120.40 131.96 1wgv s VAL 68 Ca -0.00 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 60.91 1wgv s VAL 68 Cb -0.03 -4.68 -0.14 0.00 0.00 0.00 0.00 36.38 31.52 1wgv s VAL 68 CO 0.00 -1.42 1.72 -0.07 0.00 0.00 0.00 175.10 175.33 1wgv h LEU 69 N 10.86 -0.14 -7.84 3.92 3.38 -1.58 -3.44 115.31 120.48 1wgv h LEU 69 Ca -0.16 0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.61 1wgv h LEU 69 Cb 1.06 0.05 -0.25 0.00 0.09 0.00 0.00 40.66 41.60 1wgv h LEU 69 CO 1.15 -0.08 -0.72 -0.32 0.09 0.00 0.00 178.44 178.56 1wgv s MET 70 N -6.17 0.15 -0.24 1.13 0.00 -1.08 -4.64 119.30 108.45 1wgv s MET 70 Ca -0.14 -0.25 -0.31 0.00 0.00 0.00 0.00 55.69 55.00 1wgv s MET 70 Cb 0.06 0.00 0.16 0.00 0.00 0.00 0.00 34.83 35.06 1wgv s MET 70 CO 0.66 -0.01 1.24 -2.00 0.00 0.00 0.00 175.02 174.91 1wgv s GLU 71 N -0.56 0.24 0.00 4.11 -6.30 -1.26 0.19 118.70 115.12 1wgv s GLU 71 Ca -0.06 0.02 0.00 0.00 -2.50 0.00 0.00 54.97 52.43 1wgv s GLU 71 Cb -0.04 0.11 0.00 0.00 0.00 0.00 0.00 34.13 34.20 1wgv s GLU 71 CO -0.00 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.60 1wgv n GLY 72 N 0.43 4.48 3.76 -1.50 0.00 -0.97 -5.02 105.19 106.37 1wgv n GLY 72 Ca -0.02 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.24 4.41 0.96 1.61 -2.85 -1.26 -2.71 119.74 116.66 1wgv s LYS 73 Ca 0.00 2.11 -0.15 0.00 -1.00 0.00 0.00 55.97 56.93 1wgv s LYS 73 Cb 0.00 -3.11 0.18 0.00 -2.06 0.00 0.00 37.83 32.84 1wgv s LYS 73 CO 0.00 -0.12 1.27 -0.51 0.10 0.00 0.00 175.35 176.08 1wgv s LEU 74 N -1.42 2.45 0.03 2.77 1.43 0.50 -2.45 118.68 121.99 1wgv s LEU 74 Ca 0.50 0.42 0.02 0.00 -1.03 0.00 0.00 54.13 54.04 1wgv s LEU 74 Cb -0.38 -2.53 -0.25 0.00 0.03 0.00 0.00 46.19 43.07 1wgv s LEU 74 CO 0.48 -2.72 0.96 0.71 0.23 0.00 0.00 176.35 176.01 1wgv h THR 75 N -1.63 1.28 -3.15 5.49 1.35 -1.54 -3.40 112.91 111.31 1wgv h THR 75 Ca -0.45 -2.98 -0.17 0.00 -0.55 0.00 0.00 66.41 62.26 1wgv h THR 75 Cb 1.26 2.74 -0.04 0.00 -1.73 0.00 0.00 68.15 70.37 1wgv h THR 75 CO 0.44 0.81 -0.16 1.41 -0.25 0.00 0.00 175.52 177.76 1wgv n HIS 76 N -3.36 -0.19 -2.48 4.73 8.25 -1.26 -5.03 115.22 115.88 1wgv n HIS 76 Ca -0.11 -0.95 -0.23 0.00 -0.26 0.00 0.00 57.72 56.16 1wgv n HIS 76 Cb 1.01 0.07 0.05 0.00 1.12 0.00 0.00 29.99 32.25 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 -2.49 2.45 0.10 -0.41 1.02 -1.25 -4.02 119.74 115.13 1wgv s LYS 77 Ca 0.12 -0.56 -0.11 0.00 0.02 0.00 0.00 55.97 55.45 1wgv s LYS 77 Cb 0.01 -2.37 0.01 0.00 -0.52 0.00 0.00 37.83 34.96 1wgv s LYS 77 CO 0.09 -0.89 0.25 0.96 -0.92 0.00 0.00 175.35 174.84 1wgv s ILE 78 N -2.94 0.12 -1.14 2.17 -5.25 0.48 -3.51 121.20 111.13 1wgv s ILE 78 Ca 0.58 -1.00 -0.17 0.00 -0.99 0.00 0.00 60.65 59.07 1wgv s ILE 78 Cb -0.10 -1.28 0.13 0.00 2.95 0.00 0.00 42.46 44.15 1wgv s ILE 78 CO 0.41 -0.55 1.43 0.20 -1.79 0.00 0.00 174.94 174.64 1wgv s ASN 79 N -2.82 6.85 0.65 4.36 0.01 -1.13 -4.62 114.94 118.24 1wgv s ASN 79 Ca 0.04 -2.47 0.26 0.00 -0.71 0.00 0.00 52.86 49.98 1wgv s ASN 79 Cb 0.04 -2.46 1.38 0.00 0.41 0.00 0.00 41.25 40.62 1wgv s ASN 79 CO -0.11 -1.00 1.79 0.71 -1.51 0.00 0.00 177.10 176.97 1wgv h THR 80 N 5.39 0.06 0.01 1.60 1.35 -1.87 1.16 112.91 120.61 1wgv h THR 80 Ca 0.29 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.92 1wgv h THR 80 Cb 0.92 0.56 0.02 0.00 -1.73 0.00 0.00 68.15 67.92 1wgv h THR 80 CO 1.28 0.00 -0.93 -0.08 -0.25 0.00 0.00 175.52 175.54 1wgv h GLU 81 N 0.00 0.62 0.00 4.72 4.81 -1.95 -3.22 114.58 119.56 1wgv h GLU 81 Ca 0.04 -0.68 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 1wgv h GLU 81 Cb 0.96 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1wgv h GLU 81 CO -0.00 1.27 -0.58 0.43 -0.73 0.00 0.00 179.01 179.41 1wgv n SER 82 N -3.96 0.55 -4.63 1.04 7.64 0.19 -4.81 113.62 109.65 1wgv n SER 82 Ca -0.11 -0.25 -0.41 0.00 1.01 0.00 0.00 58.87 59.12 1wgv n SER 82 Cb 0.83 0.32 -0.06 0.00 -1.01 0.00 0.00 64.21 64.29 1wgv n SER 82 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wgv s SER 83 N -3.19 6.63 0.54 6.43 0.01 0.34 -4.76 113.70 119.70 1wgv s SER 83 Ca 0.10 0.77 0.03 0.00 1.31 0.00 0.00 55.95 58.16 1wgv s SER 83 Cb 0.17 -2.35 0.02 0.00 0.21 0.00 0.00 66.02 64.07 1wgv s SER 83 CO 0.72 -0.37 0.21 -1.48 0.41 0.00 0.00 173.24 172.73 1wgv s LEU 84 N 2.44 2.43 -0.28 2.44 0.05 -1.07 -4.80 118.68 119.89 1wgv s LEU 84 Ca 0.28 -1.49 -0.14 0.00 0.05 0.00 0.00 54.13 52.83 1wgv s LEU 84 Cb -0.16 -0.92 0.09 0.00 -2.05 0.00 0.00 46.19 43.16 1wgv s LEU 84 CO 0.09 -1.03 0.67 -1.66 -0.55 0.00 0.00 176.35 173.86 1wgv s TRP 85 N -2.85 -1.14 0.12 3.48 1.48 -1.26 -0.56 118.94 118.21 1wgv s TRP 85 Ca 0.17 2.18 0.11 0.00 -1.06 0.00 0.00 56.10 57.50 1wgv s TRP 85 Cb -0.01 0.68 -0.04 0.00 -1.16 0.00 0.00 33.47 32.94 1wgv s TRP 85 CO 0.11 -0.57 -0.27 -1.12 -4.06 0.00 0.00 176.95 171.04 1wgv s SER 86 N 2.01 3.30 -0.06 -2.66 0.01 0.19 -4.98 113.70 111.52 1wgv s SER 86 Ca -0.09 -0.73 -0.01 0.00 1.31 0.00 0.00 55.95 56.43 1wgv s SER 86 Cb -0.07 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 1wgv s SER 86 CO -0.19 0.19 0.03 -0.22 0.41 0.00 0.00 173.24 173.45 1wgv s LEU 87 N -1.96 3.70 -0.06 2.44 1.98 -1.26 -1.17 118.68 122.34 1wgv s LEU 87 Ca 0.14 0.14 0.05 0.00 -2.89 0.00 0.00 54.13 51.57 1wgv s LEU 87 Cb -0.10 -1.96 -0.00 0.00 0.66 0.00 0.00 46.19 44.78 1wgv s LEU 87 CO 0.06 0.34 -0.20 -1.61 -1.89 0.00 0.00 176.35 173.04 1wgv s GLU 88 N -1.19 2.19 -0.16 1.98 2.02 -1.18 -4.99 118.70 117.37 1wgv s GLU 88 Ca 0.16 -0.73 -0.29 0.00 0.02 0.00 0.00 54.97 54.14 1wgv s GLU 88 Cb -0.12 -1.84 -0.02 0.00 0.10 0.00 0.00 34.13 32.26 1wgv s GLU 88 CO 0.06 0.26 1.27 -1.25 0.02 0.00 0.00 175.26 175.63 1wgv s PRO 89 N 0.06 4.23 -1.33 0.39 0.04 -1.26 -3.38 135.00 133.75 1wgv s PRO 89 Ca -0.06 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 62.62 1wgv s PRO 89 Cb -0.13 -3.76 0.02 0.00 0.04 0.00 0.00 34.50 30.66 1wgv s PRO 89 CO 0.04 -0.70 0.86 0.41 0.04 0.00 0.00 177.00 177.64 1wgv n GLY 90 N 3.62 -0.37 0.00 0.56 0.00 -0.55 -4.88 105.19 103.58 1wgv n GLY 90 Ca 0.14 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.39 0.00 -3.73 1.61 4.76 -1.22 -4.97 118.16 110.22 1wgv n LYS 91 Ca -0.21 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.17 1wgv n LYS 91 Cb 0.64 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.81 1wgv n LYS 91 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wgv s VAL 93 N -3.52 5.26 -0.17 0.00 1.01 0.53 -3.13 120.40 120.38 1wgv s VAL 93 Ca 0.10 0.71 -0.05 0.00 0.00 0.00 0.00 61.98 62.74 1wgv s VAL 93 Cb -0.03 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1wgv s VAL 93 CO 0.01 0.37 0.01 -0.22 0.00 0.00 0.00 175.10 175.26 1wgv s LEU 94 N 0.50 3.47 -0.04 3.92 1.98 -0.32 -1.46 118.68 126.74 1wgv s LEU 94 Ca 0.20 -0.05 0.01 0.00 -2.89 0.00 0.00 54.13 51.40 1wgv s LEU 94 Cb -0.14 -1.86 0.02 0.00 0.66 0.00 0.00 46.19 44.88 1wgv s LEU 94 CO 0.06 0.16 -0.02 -0.69 -1.89 0.00 0.00 176.35 173.97 1wgv s VAL 95 N 0.43 0.36 -0.36 1.68 1.01 -1.18 0.56 120.40 122.91 1wgv s VAL 95 Ca -0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.83 1wgv s VAL 95 Cb -0.14 -0.43 -0.00 0.00 0.00 0.00 0.00 36.38 35.82 1wgv s VAL 95 CO 0.02 0.19 0.24 0.20 0.00 0.00 0.00 175.10 175.75 1wgv s ASN 96 N 1.01 5.96 -0.33 3.32 0.02 0.27 -3.61 114.94 121.59 1wgv s ASN 96 Ca -0.10 -0.62 -0.12 0.00 -1.02 0.00 0.00 52.86 51.00 1wgv s ASN 96 Cb -0.14 -2.11 -0.01 0.00 0.02 0.00 0.00 41.25 39.01 1wgv s ASN 96 CO -0.01 -0.30 0.21 -0.76 0.02 0.00 0.00 177.10 176.26 1wgv s LEU 97 N 1.68 4.40 0.28 0.60 1.43 -1.08 -2.59 118.68 123.40 1wgv s LEU 97 Ca 0.05 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.46 1wgv s LEU 97 Cb -0.18 -2.09 -0.09 0.00 0.03 0.00 0.00 46.19 43.86 1wgv s LEU 97 CO 0.09 -0.23 0.78 -0.44 0.23 0.00 0.00 176.35 176.78 1wgv s SER 98 N 1.68 7.02 0.06 2.29 0.01 -1.26 -2.77 113.70 120.73 1wgv s SER 98 Ca 0.05 1.47 -0.27 0.00 1.31 0.00 0.00 55.95 58.52 1wgv s SER 98 Cb -0.17 -2.44 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 1wgv s SER 98 CO 0.09 -0.08 0.83 -0.54 0.41 0.00 0.00 173.24 173.95 1wgv s LYS 99 N -2.35 4.56 -0.52 12.44 1.02 -1.26 -2.86 119.74 130.77 1wgv s LYS 99 Ca 0.49 1.19 0.00 0.00 0.02 0.00 0.00 55.97 57.67 1wgv s LYS 99 Cb -0.15 -3.37 0.14 0.00 -0.52 0.00 0.00 37.83 33.93 1wgv s LYS 99 CO 0.20 0.25 0.30 0.08 -0.92 0.00 0.00 175.35 175.25 1wgv s VAL 100 N 0.01 3.10 0.00 3.17 1.01 -1.23 -4.68 120.40 121.79 1wgv s VAL 100 Ca 0.41 -2.87 0.00 0.00 0.00 0.00 0.00 61.98 59.53 1wgv s VAL 100 Cb -0.21 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1wgv s VAL 100 CO 0.25 -0.79 0.00 0.61 0.00 0.00 0.00 175.10 175.17 1wgv n GLY 101 N 3.62 -1.89 3.56 4.51 0.00 -1.26 -4.68 105.19 109.05 1wgv n GLY 101 Ca 0.05 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.96 2.37 0.14 1.61 -1.05 -1.26 -4.91 118.70 111.63 1wgv s GLU 102 Ca 0.00 0.26 0.06 0.00 -0.15 0.00 0.00 54.97 55.14 1wgv s GLU 102 Cb 0.00 -4.78 -0.04 0.00 -0.44 0.00 0.00 34.13 28.87 1wgv s GLU 102 CO 0.00 -3.37 -0.14 0.71 0.95 0.00 0.00 175.26 173.41 1wgv s TYR 103 N 10.82 1.42 -0.32 4.83 2.02 -1.26 -5.11 117.35 129.74 1wgv s TYR 103 Ca 0.76 -0.58 -0.22 0.00 -0.37 0.00 0.00 57.07 56.66 1wgv s TYR 103 Cb -0.10 -0.73 -0.00 0.00 -0.40 0.00 0.00 41.96 40.73 1wgv s TYR 103 CO 0.09 0.16 0.70 -0.46 -1.57 0.00 0.00 175.55 174.48 1wgv s TRP 104 N -2.40 3.18 0.00 2.71 -0.11 -1.26 -4.94 118.94 116.12 1wgv s TRP 104 Ca 0.12 0.61 0.00 0.00 1.22 0.00 0.00 56.10 58.04 1wgv s TRP 104 Cb -0.03 -3.15 0.00 0.00 -1.50 0.00 0.00 33.47 28.79 1wgv s TRP 104 CO 0.03 -0.57 0.00 0.91 -4.62 0.00 0.00 176.95 172.70 1wgv n TRP 105 N 6.09 0.00 0.00 5.86 7.02 -1.26 -4.86 117.44 130.29 1wgv n TRP 105 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 1wgv n TRP 105 Cb 0.48 -0.10 0.00 0.00 -2.42 0.00 0.00 31.31 29.27 1wgv n TRP 105 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1wgv n ASN 106 N -1.65 0.00 -4.32 -0.99 5.15 -1.26 -4.80 115.26 107.39 1wgv n ASN 106 Ca 0.00 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.81 1wgv n ASN 106 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 1wgv n ASN 106 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wgv s ALA 107 N 0.00 1.82 -0.09 5.20 0.00 -1.26 -3.88 121.76 123.55 1wgv s ALA 107 Ca 0.00 -1.64 -0.07 0.00 0.00 0.00 0.00 51.96 50.25 1wgv s ALA 107 Cb 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 1wgv s ALA 107 CO 0.00 -0.05 0.25 0.82 0.00 0.00 0.00 175.76 176.78 1wgv h ILE 108 N 2.60 0.20 -2.12 0.00 1.08 -1.91 -3.40 117.51 113.96 1wgv h ILE 108 Ca -0.38 -1.04 -0.48 0.00 -0.39 0.00 0.00 64.86 62.58 1wgv h ILE 108 Cb 1.21 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 1wgv h ILE 108 CO 0.63 0.06 -0.46 -0.76 -0.69 0.00 0.00 178.15 176.94 1wgv s LEU 109 N -8.67 4.04 0.37 1.44 1.43 -1.26 -1.67 118.68 114.36 1wgv s LEU 109 Ca -0.04 -0.12 0.26 0.00 -1.03 0.00 0.00 54.13 53.19 1wgv s LEU 109 Cb -0.00 -2.60 0.72 0.00 0.03 0.00 0.00 46.19 44.34 1wgv s LEU 109 CO 0.14 -0.12 1.73 -0.33 0.23 0.00 0.00 176.35 178.00 1wgv h GLU 110 N 1.27 0.00 -0.01 1.70 4.39 -1.70 -3.07 114.58 117.16 1wgv h GLU 110 Ca -0.49 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.09 1wgv h GLU 110 Cb 1.24 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.87 1wgv h GLU 110 CO 0.60 0.00 -0.55 0.78 -1.16 0.00 0.00 179.01 178.68 1wgv h GLY 111 N 3.66 0.03 0.00 -3.84 0.00 -1.95 -3.44 103.07 97.53 1wgv h GLY 111 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1wgv h GLY 111 CO 0.00 0.03 0.00 -2.21 0.00 0.00 0.00 176.54 174.36 1wgv n GLU 112 N -3.89 0.30 -4.45 4.80 4.07 -1.16 -5.08 120.64 115.23 1wgv n GLU 112 Ca -0.01 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.84 1wgv n GLU 112 Cb 0.56 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.84 1wgv n GLU 112 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1wgv s GLU 113 N -1.17 1.62 -0.42 5.31 2.02 -1.26 -5.03 118.70 119.77 1wgv s GLU 113 Ca 0.00 -1.68 -0.29 0.00 0.02 0.00 0.00 54.97 53.02 1wgv s GLU 113 Cb 0.00 -1.80 0.01 0.00 0.10 0.00 0.00 34.13 32.44 1wgv s GLU 113 CO 0.00 0.36 1.42 -1.25 0.02 0.00 0.00 175.26 175.80 1wgv s PRO 114 N -3.20 3.56 0.91 0.39 0.04 -1.26 -4.50 135.00 130.94 1wgv s PRO 114 Ca 0.27 0.92 -0.14 0.00 0.04 0.00 0.00 61.00 62.09 1wgv s PRO 114 Cb -0.06 -4.03 0.01 0.00 0.04 0.00 0.00 34.50 30.45 1wgv s PRO 114 CO 0.13 -1.59 0.32 0.44 0.04 0.00 0.00 177.00 176.34 1wgv n ILE 115 N 7.09 0.31 -0.10 0.56 -5.35 -1.25 -4.97 119.36 115.66 1wgv n ILE 115 Ca 0.17 -0.26 -0.20 0.00 -0.27 0.00 0.00 62.75 62.19 1wgv n ILE 115 Cb 0.48 -0.58 -0.07 0.00 -1.74 0.00 0.00 39.64 37.73 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 -0.70 1.60 -4.45 7.28 2.03 -1.26 -4.99 116.55 116.06 1wgv n ASP 116 Ca 0.06 0.27 -0.52 0.00 0.52 0.00 0.00 54.79 55.13 1wgv n ASP 116 Cb 0.53 -0.65 -0.05 0.00 -0.72 0.00 0.00 41.12 40.23 1wgv n ASP 116 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1wgv n ILE 117 N -4.05 1.20 -2.29 5.18 2.08 -1.26 -3.79 119.36 116.42 1wgv n ILE 117 Ca -0.35 -0.30 -0.01 0.00 0.56 0.00 0.00 62.75 62.65 1wgv n ILE 117 Cb 0.71 -0.07 -0.01 0.00 -0.75 0.00 0.00 39.64 39.52 1wgv n ILE 117 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1wgv n ASP 118 N 1.80 -4.76 -3.46 4.38 9.92 -1.26 -5.08 116.55 118.08 1wgv n ASP 118 Ca 0.18 0.95 0.01 0.00 -0.53 0.00 0.00 54.79 55.41 1wgv n ASP 118 Cb 0.19 -3.91 -0.04 0.00 -0.64 0.00 0.00 41.12 36.72 1wgv n ASP 118 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1wgv s SER 119 N -0.94 -0.77 0.24 -2.24 0.15 -1.25 -5.10 113.70 103.79 1wgv s SER 119 Ca -0.05 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.63 1wgv s SER 119 Cb 0.00 1.87 0.00 0.00 -1.71 0.00 0.00 66.02 66.18 1wgv s SER 119 CO 0.53 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.43 1wgv n GLY 120 N 5.15 -3.12 2.41 9.45 0.00 -1.26 -4.71 105.19 113.11 1wgv n GLY 120 Ca -0.10 -1.26 -0.25 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.44 2.54 -4.27 1.61 -0.04 -1.26 -4.78 135.00 128.35 1wgv n PRO 121 Ca 0.00 -1.58 -0.26 0.00 -0.04 0.00 0.00 63.50 61.63 1wgv n PRO 121 Cb 0.00 -2.46 -0.17 0.00 -0.04 0.00 0.00 33.50 30.83 1wgv n PRO 121 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgv s SER 122 N 2.75 1.99 0.63 3.54 0.15 -1.26 -5.06 113.70 116.43 1wgv s SER 122 Ca 0.52 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1wgv s SER 122 Cb 0.16 -0.85 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 1wgv s SER 122 CO -0.04 -0.03 0.00 -0.24 1.20 0.00 0.00 173.24 174.13 1wgv n SER 123 N 4.33 -7.93 0.00 5.45 2.88 -1.26 -5.06 113.62 112.03 1wgv n SER 123 Ca -0.18 1.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.88 1wgv n SER 123 Cb 0.51 -5.05 0.00 0.00 -0.75 0.00 0.00 64.21 58.91 1wgv n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42