#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi6 s SER 63 N 0.00 2.23 -0.78 1.61 1.04 -1.26 -4.95 113.70 111.59 1wi6 s SER 63 Ca 0.00 1.01 -0.22 0.00 0.48 0.00 0.00 55.95 57.22 1wi6 s SER 63 Cb 0.00 -1.57 0.08 0.00 0.10 0.00 0.00 66.02 64.63 1wi6 s SER 63 CO 0.00 -3.36 1.10 -0.44 0.98 0.00 0.00 173.24 171.52 1wi6 s SER 64 N -3.61 6.32 0.30 7.02 0.01 -1.26 -5.01 113.70 117.47 1wi6 s SER 64 Ca 0.67 -1.23 -0.28 0.00 1.31 0.00 0.00 55.95 56.41 1wi6 s SER 64 Cb -0.16 -2.45 -0.09 0.00 0.21 0.00 0.00 66.02 63.53 1wi6 s SER 64 CO 0.57 -1.41 1.02 -0.83 0.41 0.00 0.00 173.24 173.01 1wi6 s GLY 65 N 3.83 2.97 0.42 3.44 0.00 -1.26 -5.06 107.32 111.65 1wi6 s GLY 65 Ca 0.29 0.73 0.05 0.00 0.00 0.00 0.00 44.72 45.78 1wi6 s GLY 65 CO 0.04 1.26 0.17 -0.56 0.00 0.00 0.00 173.10 174.00 1wi6 s SER 66 N -1.22 2.76 1.16 1.64 0.01 -1.26 -4.94 113.70 111.84 1wi6 s SER 66 Ca 0.47 -1.75 -0.16 0.00 1.31 0.00 0.00 55.95 55.82 1wi6 s SER 66 Cb -0.26 0.62 0.20 0.00 0.21 0.00 0.00 66.02 66.79 1wi6 s SER 66 CO 0.33 -1.01 0.50 -1.54 0.41 0.00 0.00 173.24 171.92 1wi6 n SER 67 N -1.50 -2.12 0.00 2.44 3.41 -1.26 -4.81 113.62 109.78 1wi6 n SER 67 Ca -0.04 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1wi6 n SER 67 Cb 0.64 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1wi6 n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wi6 n GLY 68 N 1.55 -0.50 3.18 5.00 0.00 -1.26 -4.58 105.19 108.57 1wi6 n GLY 68 Ca 0.02 -1.23 -0.17 0.00 0.00 0.00 0.00 46.02 44.64 1wi6 n GLY 68 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wi6 s ILE 69 N -0.59 1.07 -0.08 -0.61 -0.00 -1.12 -2.01 121.20 117.85 1wi6 s ILE 69 Ca 0.00 -1.43 0.02 0.00 -0.00 0.00 0.00 60.65 59.24 1wi6 s ILE 69 Cb 0.00 -1.18 0.01 0.00 -0.00 0.00 0.00 42.46 41.30 1wi6 s ILE 69 CO 0.00 -0.34 -0.13 -0.22 -0.00 0.00 0.00 174.94 174.25 1wi6 s LEU 70 N -2.01 1.63 -0.08 0.37 2.96 0.15 -3.65 118.68 118.05 1wi6 s LEU 70 Ca 0.01 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.61 1wi6 s LEU 70 Cb -0.08 -0.93 -0.01 0.00 0.50 0.00 0.00 46.19 45.67 1wi6 s LEU 70 CO 0.02 0.01 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.24 1wi6 s ILE 71 N 0.87 2.51 -0.06 6.68 1.01 -1.19 -0.93 121.20 130.09 1wi6 s ILE 71 Ca -0.10 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.70 1wi6 s ILE 71 Cb -0.15 -1.98 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 1wi6 s ILE 71 CO 0.01 0.56 -0.16 -0.13 0.00 0.00 0.00 174.94 175.22 1wi6 s ARG 72 N -0.03 2.60 0.00 2.79 0.52 0.59 -3.26 118.95 122.16 1wi6 s ARG 72 Ca -0.06 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 1wi6 s ARG 72 Cb -0.15 -2.36 0.00 0.00 0.52 0.00 0.00 34.95 32.96 1wi6 s ARG 72 CO 0.05 0.54 0.00 0.41 0.02 0.00 0.00 175.30 176.31 1wi6 n GLY 73 N 2.56 -0.41 3.50 -3.53 0.00 -1.12 -2.90 105.19 103.30 1wi6 n GLY 73 Ca -0.17 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1wi6 n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wi6 s LEU 74 N -0.67 2.77 0.71 0.99 1.43 -0.97 -4.89 118.68 118.05 1wi6 s LEU 74 Ca 0.00 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 1wi6 s LEU 74 Cb 0.00 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.64 1wi6 s LEU 74 CO 0.00 0.21 1.10 -2.16 0.23 0.00 0.00 176.35 175.73 1wi6 s PRO 75 N -1.92 2.55 0.00 1.29 0.04 -1.26 -4.90 135.00 130.80 1wi6 s PRO 75 Ca 0.18 1.29 0.14 0.00 0.04 0.00 0.00 61.00 62.65 1wi6 s PRO 75 Cb -0.11 -1.93 0.84 0.00 0.04 0.00 0.00 34.50 33.35 1wi6 s PRO 75 CO 0.09 -1.43 1.26 0.41 0.04 0.00 0.00 177.00 177.37 1wi6 n GLY 76 N -0.84 -0.44 0.27 0.56 0.00 -1.26 -1.51 105.19 101.97 1wi6 n GLY 76 Ca 0.10 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1wi6 n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wi6 n ASP 77 N -1.00 1.79 -4.62 1.61 8.00 -1.26 -5.00 116.55 116.07 1wi6 n ASP 77 Ca 0.11 -1.47 -0.43 0.00 0.71 0.00 0.00 54.79 53.71 1wi6 n ASP 77 Cb 0.05 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 1wi6 n ASP 77 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wi6 s VAL 78 N -0.65 3.05 0.40 2.53 0.11 -0.57 -4.96 120.40 120.31 1wi6 s VAL 78 Ca 0.09 0.06 0.07 0.00 -2.93 0.00 0.00 61.98 59.27 1wi6 s VAL 78 Cb 0.05 -3.06 -0.08 0.00 -1.53 0.00 0.00 36.38 31.77 1wi6 s VAL 78 CO 0.08 -0.03 0.00 0.28 -3.33 0.00 0.00 175.10 172.10 1wi6 s THR 79 N 6.99 2.04 0.50 5.04 -1.32 -1.26 -4.87 115.64 122.76 1wi6 s THR 79 Ca 0.95 -2.02 0.21 0.00 -1.21 0.00 0.00 61.69 59.62 1wi6 s THR 79 Cb -0.35 -2.96 0.36 0.00 -1.51 0.00 0.00 72.50 68.04 1wi6 s THR 79 CO 0.37 -0.03 2.00 0.78 -2.21 0.00 0.00 174.62 175.54 1wi6 h ASN 80 N 1.79 0.11 -0.02 8.08 4.21 -1.96 0.48 115.58 128.29 1wi6 h ASN 80 Ca -0.44 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 56.99 1wi6 h ASN 80 Cb 1.24 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 38.41 1wi6 h ASN 80 CO 0.79 0.06 -0.25 -0.61 -1.29 0.00 0.00 177.43 176.14 1wi6 h GLN 81 N 0.12 0.43 -0.15 0.81 5.75 -1.98 0.80 115.11 120.91 1wi6 h GLN 81 Ca 0.24 -0.16 -0.05 0.00 -0.15 0.00 0.00 58.65 58.53 1wi6 h GLN 81 Cb 0.78 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.30 1wi6 h GLN 81 CO -0.03 0.65 -0.12 1.49 -2.65 0.00 0.00 178.83 178.17 1wi6 h GLU 82 N 0.38 0.34 -0.32 1.69 4.81 -1.29 -1.10 114.58 119.09 1wi6 h GLU 82 Ca 0.06 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 58.95 1wi6 h GLU 82 Cb 0.65 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 1wi6 h GLU 82 CO 0.05 0.71 -0.45 -0.39 -0.73 0.00 0.00 179.01 178.20 1wi6 h VAL 83 N -0.02 1.28 -0.14 0.32 -1.51 -1.40 -2.15 116.25 112.64 1wi6 h VAL 83 Ca 0.03 -1.63 -0.01 0.00 -1.23 0.00 0.00 66.70 63.85 1wi6 h VAL 83 Cb 0.63 1.51 -0.01 0.00 -2.13 0.00 0.00 31.29 31.29 1wi6 h VAL 83 CO 0.03 0.53 0.03 0.45 -1.23 0.00 0.00 177.57 177.39 1wi6 h HIS 84 N 0.67 0.23 -0.83 5.19 3.86 -0.86 -2.08 115.15 121.34 1wi6 h HIS 84 Ca 0.04 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1wi6 h HIS 84 Cb 1.03 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 29.39 1wi6 h HIS 84 CO 0.06 0.38 0.43 0.22 0.86 0.00 0.00 177.93 179.88 1wi6 h ASP 85 N 0.02 1.05 -0.21 2.45 3.58 -1.21 0.22 116.42 122.31 1wi6 h ASP 85 Ca 0.04 -0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 1wi6 h ASP 85 Cb 0.26 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 1wi6 h ASP 85 CO 0.00 0.86 0.00 0.25 -2.88 0.00 0.00 179.24 177.47 1wi6 h LEU 86 N 1.17 0.46 -3.47 2.28 5.85 -1.24 -2.74 115.31 117.62 1wi6 h LEU 86 Ca 0.29 -0.08 -0.29 0.00 0.84 0.00 0.00 57.88 58.64 1wi6 h LEU 86 Cb 0.06 -0.12 -0.18 0.00 0.37 0.00 0.00 40.66 40.79 1wi6 h LEU 86 CO -0.04 0.53 -0.19 0.18 -0.34 0.00 0.00 178.44 178.57 1wi6 n LEU 87 N -4.29 4.52 -0.06 2.25 4.77 -0.79 -4.64 117.00 118.75 1wi6 n LEU 87 Ca 0.01 -4.06 0.09 0.00 -0.03 0.00 0.00 56.01 52.02 1wi6 n LEU 87 Cb 0.24 -0.60 0.49 0.00 -2.33 0.00 0.00 43.42 41.22 1wi6 n LEU 87 CO 0.39 1.49 0.82 -0.24 -1.33 0.00 0.00 177.39 178.51 1wi6 n SER 88 N -1.02 0.19 0.01 -1.43 2.88 0.71 -3.09 113.62 111.86 1wi6 n SER 88 Ca 0.37 -1.50 0.03 0.00 -1.33 0.00 0.00 58.87 56.44 1wi6 n SER 88 Cb 0.96 -0.01 -0.11 0.00 -0.75 0.00 0.00 64.21 64.30 1wi6 n SER 88 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1wi6 n ASP 89 N -0.64 0.46 -4.85 -3.46 9.92 -1.26 -4.96 116.55 111.75 1wi6 n ASP 89 Ca 0.13 0.19 -0.24 0.00 -0.53 0.00 0.00 54.79 54.35 1wi6 n ASP 89 Cb 0.09 0.87 -0.03 0.00 -0.64 0.00 0.00 41.12 41.40 1wi6 n ASP 89 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1wi6 s TYR 90 N -3.07 2.27 -0.48 1.24 1.51 -1.18 -5.07 117.35 112.57 1wi6 s TYR 90 Ca -0.05 -0.65 -0.29 0.00 -1.01 0.00 0.00 57.07 55.07 1wi6 s TYR 90 Cb 0.10 -2.02 0.03 0.00 -0.11 0.00 0.00 41.96 39.95 1wi6 s TYR 90 CO 0.84 -0.18 1.20 -1.21 -1.11 0.00 0.00 175.55 175.09 1wi6 s GLU 91 N -4.13 3.67 -0.90 -0.62 8.01 -1.26 -4.97 118.70 118.49 1wi6 s GLU 91 Ca 0.41 0.61 -0.19 0.00 0.01 0.00 0.00 54.97 55.81 1wi6 s GLU 91 Cb -0.01 -3.95 0.13 0.00 -4.31 0.00 0.00 34.13 26.00 1wi6 s GLU 91 CO 0.24 -1.46 1.08 -0.51 0.01 0.00 0.00 175.26 174.62 1wi6 s LEU 92 N 4.73 5.17 0.22 1.80 1.43 -1.26 -3.86 118.68 126.91 1wi6 s LEU 92 Ca 0.50 -2.04 -0.00 0.00 -1.03 0.00 0.00 54.13 51.56 1wi6 s LEU 92 Cb -0.08 -2.38 0.20 0.00 0.03 0.00 0.00 46.19 43.95 1wi6 s LEU 92 CO 0.31 -1.04 1.55 0.11 0.23 0.00 0.00 176.35 177.52 1wi6 h LYS 93 N 8.79 0.45 -2.32 1.70 1.79 -1.85 -3.45 116.57 121.68 1wi6 h LYS 93 Ca 0.13 -0.27 -0.05 0.00 -2.18 0.00 0.00 60.65 58.27 1wi6 h LYS 93 Cb 1.03 0.03 -0.23 0.00 -1.58 0.00 0.00 32.23 31.47 1wi6 h LYS 93 CO 1.08 0.86 -0.12 -0.47 -1.08 0.00 0.00 179.45 179.73 1wi6 s TYR 94 N -4.00 -0.80 -0.08 -1.35 5.04 -1.15 -5.01 117.35 110.00 1wi6 s TYR 94 Ca -0.06 1.69 0.03 0.00 -2.44 0.00 0.00 57.07 56.28 1wi6 s TYR 94 Cb 0.12 0.41 0.01 0.00 0.35 0.00 0.00 41.96 42.85 1wi6 s TYR 94 CO 0.82 -0.41 -0.16 0.00 -1.34 0.00 0.00 175.55 174.46 1wi6 s PHE 96 N 0.60 1.45 -0.21 0.00 5.36 0.63 -5.01 117.98 120.82 1wi6 s PHE 96 Ca -0.15 -0.65 -0.01 0.00 -0.96 0.00 0.00 56.93 55.16 1wi6 s PHE 96 Cb -0.16 -1.16 0.02 0.00 -0.34 0.00 0.00 43.02 41.37 1wi6 s PHE 96 CO 0.05 -0.42 -0.13 0.08 -1.46 0.00 0.00 175.22 173.34 1wi6 s VAL 97 N 1.31 2.54 -0.45 3.12 1.01 -1.26 -0.82 120.40 125.84 1wi6 s VAL 97 Ca -0.02 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1wi6 s VAL 97 Cb -0.14 -2.16 0.12 0.00 0.00 0.00 0.00 36.38 34.20 1wi6 s VAL 97 CO -0.04 0.41 0.21 -0.62 0.00 0.00 0.00 175.10 175.07 1wi6 s ASP 98 N 1.33 4.85 0.45 3.32 -1.08 -0.98 -4.94 116.67 119.63 1wi6 s ASP 98 Ca 0.03 -2.48 0.20 0.00 -0.52 0.00 0.00 52.55 49.79 1wi6 s ASP 98 Cb -0.14 -1.72 1.06 0.00 -1.46 0.00 0.00 42.92 40.66 1wi6 s ASP 98 CO -0.09 -0.38 1.94 0.07 0.52 0.00 0.00 175.17 177.23 1wi6 h LYS 99 N 7.31 0.00 0.47 4.34 2.10 -1.90 -1.68 116.57 127.21 1wi6 h LYS 99 Ca -0.07 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.56 1wi6 h LYS 99 Cb 0.98 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 1wi6 h LYS 99 CO 0.64 0.24 -0.22 1.88 -2.00 0.00 0.00 179.45 179.98 1wi6 h TYR 100 N 0.00 -0.58 0.00 0.07 0.05 -1.92 -2.83 116.97 111.76 1wi6 h TYR 100 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1wi6 h TYR 100 Cb 0.52 0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.45 1wi6 h TYR 100 CO 0.00 -0.28 0.00 1.63 -1.05 0.00 0.00 178.16 178.46 1wi6 n LYS 101 N -5.29 0.22 -1.18 4.88 5.02 -1.18 -4.88 118.16 115.75 1wi6 n LYS 101 Ca -0.11 0.37 -0.06 0.00 -2.02 0.00 0.00 58.31 56.49 1wi6 n LYS 101 Cb 0.30 -1.87 -0.03 0.00 -0.02 0.00 0.00 35.03 33.41 1wi6 n LYS 101 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wi6 n GLY 102 N 0.36 0.84 3.19 0.72 0.00 -0.66 -4.90 105.19 104.73 1wi6 n GLY 102 Ca 0.03 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 1wi6 n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wi6 s THR 103 N -2.22 0.71 -0.06 2.61 -4.23 -1.03 -2.30 115.64 109.13 1wi6 s THR 103 Ca 0.00 -1.95 0.03 0.00 -1.18 0.00 0.00 61.69 58.59 1wi6 s THR 103 Cb 0.00 -1.77 0.01 0.00 1.34 0.00 0.00 72.50 72.08 1wi6 s THR 103 CO 0.00 -0.80 -0.15 0.00 -0.54 0.00 0.00 174.62 173.13 1wi6 s ALA 104 N -3.62 1.42 -0.14 3.99 0.00 -1.20 -2.31 121.76 119.90 1wi6 s ALA 104 Ca 0.14 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.55 1wi6 s ALA 104 Cb 0.05 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 1wi6 s ALA 104 CO -0.03 0.19 -0.17 -0.06 0.00 0.00 0.00 175.76 175.69 1wi6 s PHE 105 N 0.38 2.73 0.07 0.00 0.40 -0.00 -3.20 117.98 118.36 1wi6 s PHE 105 Ca -0.11 -1.01 0.05 0.00 -0.60 0.00 0.00 56.93 55.27 1wi6 s PHE 105 Cb -0.14 -1.83 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 1wi6 s PHE 105 CO 0.04 -0.43 -0.14 0.08 0.70 0.00 0.00 175.22 175.46 1wi6 s VAL 106 N 0.63 1.10 -0.23 -0.44 1.01 -1.24 -0.27 120.40 120.96 1wi6 s VAL 106 Ca -0.09 -1.29 -0.03 0.00 0.00 0.00 0.00 61.98 60.57 1wi6 s VAL 106 Cb -0.16 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1wi6 s VAL 106 CO 0.03 -0.22 -0.06 -0.89 0.00 0.00 0.00 175.10 173.96 1wi6 s THR 107 N -1.26 3.08 0.66 3.92 2.01 0.50 -2.80 115.64 121.76 1wi6 s THR 107 Ca -0.02 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.24 1wi6 s THR 107 Cb -0.10 -2.47 0.11 0.00 0.01 0.00 0.00 72.50 70.05 1wi6 s THR 107 CO 0.02 0.33 0.92 -0.76 -0.69 0.00 0.00 174.62 174.43 1wi6 s LEU 108 N 1.40 3.05 0.00 4.42 1.43 -1.26 -2.79 118.68 124.93 1wi6 s LEU 108 Ca 0.03 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1wi6 s LEU 108 Cb -0.15 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.07 1wi6 s LEU 108 CO -0.04 -1.65 0.24 -0.11 0.23 0.00 0.00 176.35 175.02 1wi6 n LEU 109 N -2.63 0.85 -5.00 1.79 7.94 -1.25 -4.77 117.00 113.94 1wi6 n LEU 109 Ca 0.14 0.45 -0.22 0.00 -1.11 0.00 0.00 56.01 55.27 1wi6 n LEU 109 Cb 0.61 -0.30 0.04 0.00 0.53 0.00 0.00 43.42 44.30 1wi6 n LEU 109 CO 0.42 -0.30 0.27 0.54 -1.11 0.00 0.00 177.39 177.21 1wi6 s ASN 110 N -2.13 4.93 0.42 1.96 2.20 -1.26 -4.91 114.94 116.16 1wi6 s ASN 110 Ca 0.00 -0.99 0.22 0.00 -0.94 0.00 0.00 52.86 51.15 1wi6 s ASN 110 Cb 0.00 0.39 0.35 0.00 -2.00 0.00 0.00 41.25 39.99 1wi6 s ASN 110 CO 0.00 -1.30 1.60 1.23 -2.94 0.00 0.00 177.10 175.69 1wi6 h GLY 111 N 0.33 0.00 0.98 0.45 0.00 -1.92 -3.30 103.07 99.60 1wi6 h GLY 111 Ca -0.31 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1wi6 h GLY 111 CO 0.45 0.00 0.18 0.83 0.00 0.00 0.00 176.54 178.00 1wi6 h GLU 112 N 0.00 0.40 -0.15 4.80 5.08 -1.96 -1.19 114.58 121.55 1wi6 h GLU 112 Ca -0.00 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1wi6 h GLU 112 Cb 1.04 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1wi6 h GLU 112 CO 0.01 0.30 -0.19 1.96 -1.00 0.00 0.00 179.01 180.09 1wi6 h GLN 113 N 0.38 0.26 -0.17 2.33 4.20 -1.99 -1.84 115.11 118.28 1wi6 h GLN 113 Ca 0.11 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 1wi6 h GLN 113 Cb 0.01 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1wi6 h GLN 113 CO -0.02 0.45 -0.04 0.00 -0.67 0.00 0.00 178.83 178.55 1wi6 h ALA 114 N 1.57 0.23 -0.39 3.87 0.00 -1.52 -1.68 119.26 121.35 1wi6 h ALA 114 Ca 0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1wi6 h ALA 114 Cb 0.49 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1wi6 h ALA 114 CO 0.03 0.00 0.11 1.49 0.00 0.00 0.00 179.25 180.88 1wi6 h GLU 115 N 0.03 0.61 -0.80 0.00 4.81 -1.07 -0.61 114.58 117.55 1wi6 h GLU 115 Ca 0.04 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1wi6 h GLU 115 Cb 0.48 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1wi6 h GLU 115 CO 0.02 0.63 0.52 0.00 -0.73 0.00 0.00 179.01 179.44 1wi6 h ALA 116 N 0.96 1.02 -0.33 2.92 0.00 -1.34 0.29 119.26 122.77 1wi6 h ALA 116 Ca 0.12 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1wi6 h ALA 116 Cb 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1wi6 h ALA 116 CO -0.00 0.45 -0.15 0.00 0.00 0.00 0.00 179.25 179.55 1wi6 h ALA 117 N 1.28 0.46 -0.52 0.00 0.00 -1.13 -2.88 119.26 116.49 1wi6 h ALA 117 Ca 0.29 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1wi6 h ALA 117 Cb -0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1wi6 h ALA 117 CO -0.06 0.36 -0.17 0.82 0.00 0.00 0.00 179.25 180.21 1wi6 h ILE 118 N 0.46 1.27 -0.54 0.00 2.04 -0.81 0.28 117.51 120.21 1wi6 h ILE 118 Ca 0.08 -1.33 0.07 0.00 1.00 0.00 0.00 64.86 64.67 1wi6 h ILE 118 Cb 0.67 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 1wi6 h ILE 118 CO 0.05 0.47 0.22 -1.13 0.00 0.00 0.00 178.15 177.76 1wi6 h ASN 119 N 0.89 0.26 0.03 1.72 -0.73 -0.40 0.95 115.58 118.30 1wi6 h ASN 119 Ca 0.13 0.06 -0.04 0.00 1.87 0.00 0.00 56.30 58.32 1wi6 h ASN 119 Cb 0.75 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.36 1wi6 h ASN 119 CO 0.06 0.18 -0.15 0.74 -0.37 0.00 0.00 177.43 177.88 1wi6 h THR 120 N 0.43 1.74 0.00 -3.57 2.02 -1.43 -3.30 112.91 108.80 1wi6 h THR 120 Ca 0.26 -2.38 -0.01 0.00 0.77 0.00 0.00 66.41 65.05 1wi6 h THR 120 Cb 0.26 3.36 -0.00 0.00 -1.74 0.00 0.00 68.15 70.03 1wi6 h THR 120 CO -0.24 0.63 -0.04 -0.26 0.37 0.00 0.00 175.52 175.99 1wi6 h PHE 121 N -0.88 0.00 -4.14 3.16 0.04 -0.34 -3.40 116.94 111.38 1wi6 h PHE 121 Ca -0.03 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 60.26 1wi6 h PHE 121 Cb 1.12 0.00 0.14 0.00 2.20 0.00 0.00 35.95 39.41 1wi6 h PHE 121 CO 0.26 0.04 0.27 -1.58 -0.60 0.00 0.00 178.31 176.70 1wi6 s HIS 122 N -4.62 2.44 -0.45 -0.55 5.65 0.33 -3.34 115.29 114.75 1wi6 s HIS 122 Ca -0.05 1.25 -0.06 0.00 0.25 0.00 0.00 55.06 56.46 1wi6 s HIS 122 Cb 0.15 -3.15 0.06 0.00 -1.18 0.00 0.00 32.58 28.46 1wi6 s HIS 122 CO 0.58 -2.23 0.14 0.00 -0.65 0.00 0.00 174.74 172.59 1wi6 n GLN 123 N -3.76 -1.88 -2.90 2.88 -0.00 -1.26 -4.84 117.38 105.62 1wi6 n GLN 123 Ca 0.07 0.03 -0.21 0.00 -0.00 0.00 0.00 57.00 56.90 1wi6 n GLN 123 Cb 0.55 -3.26 0.07 0.00 -0.00 0.00 0.00 30.24 27.61 1wi6 n GLN 123 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1wi6 s SER 124 N -1.82 4.90 0.01 2.61 1.04 -1.21 -4.98 113.70 114.25 1wi6 s SER 124 Ca 0.20 -0.69 -0.00 0.00 0.48 0.00 0.00 55.95 55.94 1wi6 s SER 124 Cb -0.12 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 1wi6 s SER 124 CO 0.25 -1.48 -0.02 -0.13 0.98 0.00 0.00 173.24 172.84 1wi6 s ARG 125 N -4.80 0.24 -0.06 4.02 0.52 -1.26 -2.06 118.95 115.56 1wi6 s ARG 125 Ca 0.63 -0.46 -0.02 0.00 -0.52 0.00 0.00 55.73 55.35 1wi6 s ARG 125 Cb -0.06 0.09 0.04 0.00 0.52 0.00 0.00 34.95 35.54 1wi6 s ARG 125 CO 0.40 -0.04 0.11 -1.17 0.02 0.00 0.00 175.30 174.62 1wi6 s LEU 126 N -1.12 0.42 -1.53 2.53 2.96 -0.27 -4.87 118.68 116.80 1wi6 s LEU 126 Ca -0.12 0.21 -0.10 0.00 -0.22 0.00 0.00 54.13 53.90 1wi6 s LEU 126 Cb -0.08 0.14 0.08 0.00 0.50 0.00 0.00 46.19 46.83 1wi6 s LEU 126 CO -0.01 -0.20 0.72 0.54 -1.32 0.00 0.00 176.35 176.08 1wi6 n ARG 127 N 4.78 -3.99 -3.19 1.98 5.12 -1.26 -1.47 116.66 118.63 1wi6 n ARG 127 Ca -0.15 0.46 -0.14 0.00 -1.93 0.00 0.00 57.85 56.09 1wi6 n ARG 127 Cb 0.50 -5.03 0.07 0.00 -1.16 0.00 0.00 32.46 26.85 1wi6 n ARG 127 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1wi6 n GLU 128 N -4.46 -5.18 -3.75 5.56 1.02 -1.26 -5.03 120.64 107.54 1wi6 n GLU 128 Ca -0.09 0.73 -0.13 0.00 -0.02 0.00 0.00 57.16 57.65 1wi6 n GLU 128 Cb 0.58 -5.36 -0.10 0.00 -0.02 0.00 0.00 31.44 26.54 1wi6 n GLU 128 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1wi6 s ARG 129 N -5.04 0.55 -0.08 3.49 1.04 -0.54 -5.14 118.95 113.23 1wi6 s ARG 129 Ca 0.05 0.15 -0.30 0.00 -1.04 0.00 0.00 55.73 54.60 1wi6 s ARG 129 Cb -0.01 0.25 -0.02 0.00 -2.04 0.00 0.00 34.95 33.14 1wi6 s ARG 129 CO 0.63 -0.12 1.00 -1.83 -0.04 0.00 0.00 175.30 174.94 1wi6 s GLU 130 N -0.58 4.45 -0.17 3.89 -1.05 -1.26 -1.11 118.70 122.87 1wi6 s GLU 130 Ca -0.07 1.40 -0.06 0.00 -0.15 0.00 0.00 54.97 56.09 1wi6 s GLU 130 Cb -0.04 -3.53 -0.04 0.00 -0.44 0.00 0.00 34.13 30.09 1wi6 s GLU 130 CO 0.02 -0.26 0.02 -0.51 0.95 0.00 0.00 175.26 175.49 1wi6 s LEU 131 N 1.81 3.60 -0.26 1.83 1.43 -0.88 -4.91 118.68 121.31 1wi6 s LEU 131 Ca 0.49 0.00 -0.08 0.00 -1.03 0.00 0.00 54.13 53.51 1wi6 s LEU 131 Cb -0.19 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1wi6 s LEU 131 CO 0.20 0.17 0.11 -0.44 0.23 0.00 0.00 176.35 176.62 1wi6 s SER 132 N 0.35 5.43 -0.00 2.29 0.01 -1.14 -3.97 113.70 116.67 1wi6 s SER 132 Ca 0.00 -0.13 0.08 0.00 1.31 0.00 0.00 55.95 57.21 1wi6 s SER 132 Cb -0.13 -1.99 -0.02 0.00 0.21 0.00 0.00 66.02 64.09 1wi6 s SER 132 CO 0.01 -0.03 -0.25 -0.69 0.41 0.00 0.00 173.24 172.69 1wi6 s VAL 133 N 1.61 2.13 0.13 3.43 1.01 -1.26 -0.30 120.40 127.15 1wi6 s VAL 133 Ca 0.06 -1.17 -0.17 0.00 0.00 0.00 0.00 61.98 60.70 1wi6 s VAL 133 Cb -0.15 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.51 1wi6 s VAL 133 CO 0.06 0.52 0.44 0.00 0.00 0.00 0.00 175.10 176.13 1wi6 s GLN 134 N -0.79 1.12 0.43 2.72 -2.07 -0.11 -4.88 119.66 116.09 1wi6 s GLN 134 Ca 0.11 -0.67 -0.25 0.00 -1.82 0.00 0.00 55.36 52.73 1wi6 s GLN 134 Cb -0.10 0.50 -0.08 0.00 -1.09 0.00 0.00 33.01 32.23 1wi6 s GLN 134 CO -0.00 -0.45 1.32 -0.51 -1.32 0.00 0.00 175.29 174.33 1wi6 s LEU 135 N -2.80 4.14 0.10 2.60 1.43 -1.26 0.35 118.68 123.24 1wi6 s LEU 135 Ca 0.03 2.69 -0.22 0.00 -1.03 0.00 0.00 54.13 55.59 1wi6 s LEU 135 Cb 0.01 -3.97 -0.07 0.00 0.03 0.00 0.00 46.19 42.19 1wi6 s LEU 135 CO -0.12 -0.99 0.67 -1.58 0.23 0.00 0.00 176.35 174.56 1wi6 s GLN 136 N -2.38 4.39 -0.48 1.70 0.74 -0.85 -4.61 119.66 118.17 1wi6 s GLN 136 Ca 0.60 0.94 -0.28 0.00 0.05 0.00 0.00 55.36 56.67 1wi6 s GLN 136 Cb -0.39 -3.27 -0.02 0.00 1.10 0.00 0.00 33.01 30.44 1wi6 s GLN 136 CO 0.49 0.56 1.78 -1.25 -0.55 0.00 0.00 175.29 176.31 1wi6 s PRO 137 N -0.95 3.03 0.07 1.67 0.04 -1.26 -4.82 135.00 132.78 1wi6 s PRO 137 Ca 0.33 0.97 -0.14 0.00 0.04 0.00 0.00 61.00 62.20 1wi6 s PRO 137 Cb -0.21 -4.27 -0.03 0.00 0.04 0.00 0.00 34.50 30.03 1wi6 s PRO 137 CO 0.22 -2.24 1.09 0.25 0.04 0.00 0.00 177.00 176.37 1wi6 n THR 138 N 7.27 -0.31 -0.07 1.26 -2.24 -1.26 -2.68 114.28 116.26 1wi6 n THR 138 Ca 0.21 1.69 -0.11 0.00 -2.27 0.00 0.00 64.05 63.57 1wi6 n THR 138 Cb 0.49 -2.14 -0.10 0.00 -2.10 0.00 0.00 70.33 66.48 1wi6 n THR 138 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1wi6 h ASP 139 N 0.00 0.00 -1.40 3.42 2.03 -1.98 -3.48 116.42 115.01 1wi6 h ASP 139 Ca 0.07 -0.72 -0.21 0.00 -0.73 0.00 0.00 57.03 55.43 1wi6 h ASP 139 Cb 0.19 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.67 1wi6 h ASP 139 CO -0.43 0.90 -0.27 0.00 -1.03 0.00 0.00 179.24 178.42 1wi6 n ALA 140 N -2.71 -0.30 -0.12 4.15 0.00 -1.09 -4.93 120.51 115.51 1wi6 n ALA 140 Ca -0.09 0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.20 1wi6 n ALA 140 Cb 0.37 -1.36 -0.10 0.00 0.00 0.00 0.00 19.45 18.37 1wi6 n ALA 140 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1wi6 n LEU 141 N -1.50 1.92 -4.33 0.00 7.94 -1.26 -5.00 117.00 114.78 1wi6 n LEU 141 Ca -0.12 0.38 -0.27 0.00 -1.11 0.00 0.00 56.01 54.88 1wi6 n LEU 141 Cb 0.57 -0.86 -0.13 0.00 0.53 0.00 0.00 43.42 43.52 1wi6 n LEU 141 CO 0.15 0.40 -0.55 -0.76 -1.11 0.00 0.00 177.39 175.52 1wi6 s LEU 142 N -7.67 2.27 -0.35 -1.96 1.43 -1.26 -5.05 118.68 106.08 1wi6 s LEU 142 Ca -0.34 -0.68 0.07 0.00 -1.03 0.00 0.00 54.13 52.15 1wi6 s LEU 142 Cb 0.11 -1.08 0.44 0.00 0.03 0.00 0.00 46.19 45.69 1wi6 s LEU 142 CO 0.51 0.15 1.15 0.00 0.23 0.00 0.00 176.35 178.39 1wi6 s SER 144 N -3.57 1.32 0.00 0.00 0.01 -1.26 -5.12 113.70 105.08 1wi6 s SER 144 Ca 0.49 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.70 1wi6 s SER 144 Cb 0.40 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.27 1wi6 s SER 144 CO -0.06 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1wi6 n GLY 145 N 4.98 3.52 3.77 3.44 0.00 -1.26 -5.15 105.19 114.49 1wi6 n GLY 145 Ca -0.10 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 1wi6 n GLY 145 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi6 s PRO 146 N -1.65 3.64 -0.06 1.61 0.04 -1.26 -5.00 135.00 132.32 1wi6 s PRO 146 Ca 0.00 1.72 -0.10 0.00 0.04 0.00 0.00 61.00 62.66 1wi6 s PRO 146 Cb 0.00 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 1wi6 s PRO 146 CO 0.00 -0.64 -0.20 0.43 0.04 0.00 0.00 177.00 176.64 1wi6 n SER 147 N -0.73 1.53 -4.04 6.66 7.64 -1.26 -4.98 113.62 118.44 1wi6 n SER 147 Ca 0.09 0.24 -0.32 0.00 1.01 0.00 0.00 58.87 59.89 1wi6 n SER 147 Cb 0.49 -0.56 -0.15 0.00 -1.01 0.00 0.00 64.21 62.97 1wi6 n SER 147 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wi6 s SER 148 N -5.89 3.94 0.00 6.43 1.04 -1.26 -4.71 113.70 113.25 1wi6 s SER 148 Ca -0.16 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.12 1wi6 s SER 148 Cb 0.02 -1.41 0.00 0.00 0.10 0.00 0.00 66.02 64.73 1wi6 s SER 148 CO 0.24 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.91