#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 -0.46 0.76 1.61 0.01 -1.26 -5.18 113.70 109.19 1wi6 s SER 63 Ca 0.00 -0.02 -0.10 0.00 1.31 0.00 0.00 55.95 57.14 1wi6 s SER 63 Cb 0.00 0.54 0.07 0.00 0.21 0.00 0.00 66.02 66.84 1wi6 s SER 63 CO 0.00 -0.88 1.11 -0.94 0.41 0.00 0.00 173.24 172.94 1wi6 s SER 64 N -2.55 4.65 0.00 2.44 1.04 -1.26 -4.99 113.70 113.02 1wi6 s SER 64 Ca -0.00 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.06 1wi6 s SER 64 Cb -0.00 -1.20 0.00 0.00 0.10 0.00 0.00 66.02 64.92 1wi6 s SER 64 CO -0.10 -1.77 0.00 0.61 0.98 0.00 0.00 173.24 172.97 1wi6 n GLY 65 N -3.14 -2.22 3.41 7.32 0.00 -1.26 -5.07 105.19 104.23 1wi6 n GLY 65 Ca 0.08 0.72 -0.35 0.00 0.00 0.00 0.00 46.02 46.46 1wi6 n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wi6 s SER 66 N 2.00 4.80 0.06 1.61 0.01 -1.26 -4.96 113.70 115.95 1wi6 s SER 66 Ca 0.00 -0.25 -0.10 0.00 1.31 0.00 0.00 55.95 56.90 1wi6 s SER 66 Cb 0.00 -1.84 -0.30 0.00 0.21 0.00 0.00 66.02 64.10 1wi6 s SER 66 CO 0.00 0.01 1.10 0.28 0.41 0.00 0.00 173.24 175.03 1wi6 h SER 67 N 7.92 0.67 -4.25 2.44 0.02 -1.89 -3.45 113.55 115.02 1wi6 h SER 67 Ca -0.38 -0.69 -0.52 0.00 -0.84 0.00 0.00 61.79 59.36 1wi6 h SER 67 Cb 1.17 -0.22 0.17 0.00 0.14 0.00 0.00 62.40 63.67 1wi6 h SER 67 CO 0.60 1.52 0.30 -0.83 -1.14 0.00 0.00 176.83 177.28 1wi6 s GLY 68 N -4.58 1.92 0.25 -3.77 0.00 -1.26 -3.65 107.32 96.23 1wi6 s GLY 68 Ca -0.07 0.64 0.05 0.00 0.00 0.00 0.00 44.72 45.35 1wi6 s GLY 68 CO 0.92 1.04 -0.04 -0.26 0.00 0.00 0.00 173.10 174.75 1wi6 s ILE 69 N -2.46 1.39 -0.03 0.90 -5.25 -0.28 -2.32 121.20 113.14 1wi6 s ILE 69 Ca 0.68 -2.09 -0.01 0.00 -0.99 0.00 0.00 60.65 58.24 1wi6 s ILE 69 Cb -0.24 -2.36 0.03 0.00 2.95 0.00 0.00 42.46 42.84 1wi6 s ILE 69 CO 0.53 -0.35 0.05 -0.22 -1.79 0.00 0.00 174.94 173.16 1wi6 s LEU 70 N -3.37 0.42 -0.01 0.37 2.96 0.41 -3.67 118.68 115.80 1wi6 s LEU 70 Ca 0.28 0.06 0.07 0.00 -0.22 0.00 0.00 54.13 54.33 1wi6 s LEU 70 Cb 0.04 -0.13 -0.02 0.00 0.50 0.00 0.00 46.19 46.58 1wi6 s LEU 70 CO 0.10 -0.21 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.05 1wi6 s ILE 71 N 1.84 2.34 0.00 6.68 1.01 -1.05 -1.39 121.20 130.64 1wi6 s ILE 71 Ca 0.01 -1.09 0.05 0.00 0.00 0.00 0.00 60.65 59.62 1wi6 s ILE 71 Cb -0.12 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 1wi6 s ILE 71 CO -0.03 0.52 -0.15 -0.13 0.00 0.00 0.00 174.94 175.16 1wi6 s ARG 72 N -0.82 1.12 0.00 2.79 0.52 0.25 -2.91 118.95 119.90 1wi6 s ARG 72 Ca 0.11 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 1wi6 s ARG 72 Cb -0.10 -1.10 0.00 0.00 0.52 0.00 0.00 34.95 34.26 1wi6 s ARG 72 CO 0.00 0.30 0.00 0.41 0.02 0.00 0.00 175.30 176.03 1wi6 n GLY 73 N 2.51 0.11 3.75 -3.53 0.00 -1.08 -2.47 105.19 104.48 1wi6 n GLY 73 Ca -0.15 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.08 3.68 1.24 0.99 1.43 -1.15 -4.85 118.68 118.94 1wi6 s LEU 74 Ca 0.00 -0.12 -0.20 0.00 -1.03 0.00 0.00 54.13 52.78 1wi6 s LEU 74 Cb 0.00 -2.35 0.30 0.00 0.03 0.00 0.00 46.19 44.17 1wi6 s LEU 74 CO 0.00 0.14 1.11 -2.16 0.23 0.00 0.00 176.35 175.67 1wi6 s PRO 75 N -2.62 -1.51 0.04 1.29 0.04 -1.26 -4.95 135.00 126.03 1wi6 s PRO 75 Ca 0.29 -0.17 0.27 0.00 0.04 0.00 0.00 61.00 61.43 1wi6 s PRO 75 Cb -0.11 -1.57 0.95 0.00 0.04 0.00 0.00 34.50 33.80 1wi6 s PRO 75 CO 0.21 -3.88 1.75 0.41 0.04 0.00 0.00 177.00 175.53 1wi6 n GLY 76 N -0.93 -1.47 0.58 0.56 0.00 -1.26 -3.31 105.19 99.37 1wi6 n GLY 76 Ca 0.15 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.66 2.17 -4.37 1.61 8.00 -1.26 -4.98 116.55 116.07 1wi6 n ASP 77 Ca 0.06 -1.59 -0.54 0.00 0.71 0.00 0.00 54.79 53.43 1wi6 n ASP 77 Cb 0.36 0.13 -0.09 0.00 -0.02 0.00 0.00 41.12 41.50 1wi6 n ASP 77 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1wi6 n VAL 78 N 0.64 0.10 -4.61 2.53 3.14 -1.21 -4.91 118.33 114.01 1wi6 n VAL 78 Ca 0.09 -0.15 -0.28 0.00 -2.96 0.00 0.00 64.34 61.04 1wi6 n VAL 78 Cb 0.39 -1.15 -0.11 0.00 -1.06 0.00 0.00 33.84 31.92 1wi6 n VAL 78 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1wi6 s THR 79 N 6.90 1.96 0.49 1.55 -1.32 -1.26 -4.90 115.64 119.06 1wi6 s THR 79 Ca 1.15 -1.99 0.18 0.00 -1.21 0.00 0.00 61.69 59.82 1wi6 s THR 79 Cb -1.13 -2.95 0.34 0.00 -1.51 0.00 0.00 72.50 67.25 1wi6 s THR 79 CO 0.56 0.00 2.04 -0.55 -2.21 0.00 0.00 174.62 174.45 1wi6 h ASN 80 N 1.73 0.13 -0.17 8.08 7.08 -1.96 -0.23 115.58 130.25 1wi6 h ASN 80 Ca -0.44 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 52.72 1wi6 h ASN 80 Cb 1.25 -0.03 -0.02 0.00 -2.08 0.00 0.00 38.32 37.44 1wi6 h ASN 80 CO 0.80 0.08 -0.07 -0.61 -2.08 0.00 0.00 177.43 175.55 1wi6 h GLN 81 N 0.15 0.50 -0.36 4.14 5.75 -1.97 -1.16 115.11 122.16 1wi6 h GLN 81 Ca 0.19 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1wi6 h GLN 81 Cb 0.54 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 1wi6 h GLN 81 CO -0.03 0.58 0.12 1.49 -2.65 0.00 0.00 178.83 178.34 1wi6 h GLU 82 N 0.47 0.56 -0.39 1.69 4.57 -1.42 0.68 114.58 120.75 1wi6 h GLU 82 Ca 0.09 -0.12 -0.16 0.00 -1.18 0.00 0.00 59.36 57.99 1wi6 h GLU 82 Cb 0.42 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1wi6 h GLU 82 CO 0.02 0.58 -0.38 -0.39 -1.18 0.00 0.00 179.01 177.67 1wi6 h VAL 83 N 0.44 1.27 -0.13 0.32 -1.51 -1.43 -1.65 116.25 113.55 1wi6 h VAL 83 Ca 0.12 -1.55 -0.02 0.00 -1.23 0.00 0.00 66.70 64.02 1wi6 h VAL 83 Cb 0.25 1.37 -0.00 0.00 -2.13 0.00 0.00 31.29 30.77 1wi6 h VAL 83 CO -0.00 0.52 0.02 0.45 -1.23 0.00 0.00 177.57 177.32 1wi6 h HIS 84 N 0.76 0.23 -0.57 5.19 3.86 -1.10 -2.03 115.15 121.49 1wi6 h HIS 84 Ca 0.06 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 1wi6 h HIS 84 Cb 0.97 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 29.35 1wi6 h HIS 84 CO 0.06 0.41 0.18 0.22 0.86 0.00 0.00 177.93 179.66 1wi6 h ASP 85 N -0.02 0.79 -0.63 2.45 3.58 -0.88 0.22 116.42 121.93 1wi6 h ASP 85 Ca 0.04 -0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.32 1wi6 h ASP 85 Cb 0.31 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 1wi6 h ASP 85 CO 0.00 0.75 0.23 0.25 -2.88 0.00 0.00 179.24 177.59 1wi6 h LEU 86 N 0.83 0.89 -3.73 2.28 5.85 -1.16 -2.99 115.31 117.28 1wi6 h LEU 86 Ca 0.19 -0.19 -0.49 0.00 0.84 0.00 0.00 57.88 58.23 1wi6 h LEU 86 Cb 0.24 -0.23 -0.29 0.00 0.37 0.00 0.00 40.66 40.74 1wi6 h LEU 86 CO -0.01 0.83 -0.04 0.18 -0.34 0.00 0.00 178.44 179.06 1wi6 n LEU 87 N -4.41 5.64 -0.54 2.25 4.77 -0.78 -4.66 117.00 119.27 1wi6 n LEU 87 Ca 0.04 -4.30 0.01 0.00 -0.03 0.00 0.00 56.01 51.73 1wi6 n LEU 87 Cb 0.19 -0.64 0.06 0.00 -2.33 0.00 0.00 43.42 40.70 1wi6 n LEU 87 CO 0.40 1.64 0.42 -0.24 -1.33 0.00 0.00 177.39 178.28 1wi6 n SER 88 N -0.91 1.36 -0.03 -1.43 2.88 0.73 -3.22 113.62 113.01 1wi6 n SER 88 Ca 0.48 -2.10 0.01 0.00 -1.33 0.00 0.00 58.87 55.93 1wi6 n SER 88 Cb 0.93 -0.37 -0.09 0.00 -0.75 0.00 0.00 64.21 63.93 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 0.01 2.34 -4.92 -3.46 9.92 -1.26 -5.03 116.55 114.14 1wi6 n ASP 89 Ca 0.04 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.05 1wi6 n ASP 89 Cb 0.29 1.18 0.01 0.00 -0.64 0.00 0.00 41.12 41.96 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 -2.56 1.55 -0.46 1.24 1.51 -1.20 -5.07 117.35 112.37 1wi6 s TYR 90 Ca -0.05 -0.84 -0.26 0.00 -1.01 0.00 0.00 57.07 54.91 1wi6 s TYR 90 Cb 0.06 -1.95 0.03 0.00 -0.11 0.00 0.00 41.96 39.98 1wi6 s TYR 90 CO 0.47 -0.59 0.97 -1.21 -1.11 0.00 0.00 175.55 174.08 1wi6 s GLU 91 N -4.34 3.59 -0.81 -0.62 0.41 -1.26 -4.99 118.70 110.68 1wi6 s GLU 91 Ca 0.38 0.28 -0.19 0.00 -0.41 0.00 0.00 54.97 55.02 1wi6 s GLU 91 Cb -0.03 -3.91 0.13 0.00 -1.78 0.00 0.00 34.13 28.54 1wi6 s GLU 91 CO 0.23 -1.24 0.97 -0.51 -0.49 0.00 0.00 175.26 174.23 1wi6 s LEU 92 N 3.89 5.23 0.14 1.80 1.43 -1.26 -3.78 118.68 126.14 1wi6 s LEU 92 Ca 0.40 -1.85 -0.07 0.00 -1.03 0.00 0.00 54.13 51.58 1wi6 s LEU 92 Cb -0.10 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 1wi6 s LEU 92 CO 0.27 -1.07 1.37 0.11 0.23 0.00 0.00 176.35 177.26 1wi6 h LYS 93 N 8.88 0.61 -3.38 1.70 1.79 -1.86 -3.45 116.57 120.86 1wi6 h LYS 93 Ca -0.01 -0.50 -0.22 0.00 -2.18 0.00 0.00 60.65 57.74 1wi6 h LYS 93 Cb 1.05 0.10 -0.29 0.00 -1.58 0.00 0.00 32.23 31.51 1wi6 h LYS 93 CO 1.07 1.12 -0.60 -0.47 -1.08 0.00 0.00 179.45 179.49 1wi6 s TYR 94 N -3.70 -0.13 -0.08 -1.35 5.04 -1.17 -5.04 117.35 110.91 1wi6 s TYR 94 Ca -0.08 0.37 0.03 0.00 -2.44 0.00 0.00 57.07 54.95 1wi6 s TYR 94 Cb 0.10 -0.02 0.01 0.00 0.35 0.00 0.00 41.96 42.39 1wi6 s TYR 94 CO 0.87 -0.11 -0.18 0.00 -1.34 0.00 0.00 175.55 174.80 1wi6 s PHE 96 N 0.50 0.23 -0.16 0.00 5.36 -0.63 -5.04 117.98 118.24 1wi6 s PHE 96 Ca -0.17 0.08 0.00 0.00 -0.96 0.00 0.00 56.93 55.88 1wi6 s PHE 96 Cb -0.17 -0.44 0.03 0.00 -0.34 0.00 0.00 43.02 42.10 1wi6 s PHE 96 CO 0.06 -0.16 -0.10 0.08 -1.46 0.00 0.00 175.22 173.64 1wi6 s VAL 97 N 1.47 1.41 -0.35 3.12 1.01 -1.26 -1.40 120.40 124.40 1wi6 s VAL 97 Ca -0.04 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 1wi6 s VAL 97 Cb -0.13 -1.44 0.09 0.00 0.00 0.00 0.00 36.38 34.90 1wi6 s VAL 97 CO -0.03 0.29 0.08 -0.62 0.00 0.00 0.00 175.10 174.82 1wi6 s ASP 98 N 1.52 4.96 0.10 3.32 -1.08 -0.74 -4.96 116.67 119.80 1wi6 s ASP 98 Ca 0.02 -1.78 -0.09 0.00 -0.52 0.00 0.00 52.55 50.18 1wi6 s ASP 98 Cb -0.14 -1.72 -0.17 0.00 -1.46 0.00 0.00 42.92 39.43 1wi6 s ASP 98 CO -0.09 -0.39 1.24 0.07 0.52 0.00 0.00 175.17 176.52 1wi6 h LYS 99 N 7.90 0.54 -0.02 4.34 2.10 -1.91 -1.37 116.57 128.16 1wi6 h LYS 99 Ca -0.14 -0.60 0.00 0.00 -2.00 0.00 0.00 60.65 57.91 1wi6 h LYS 99 Cb 1.04 0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1wi6 h LYS 99 CO 0.59 1.22 -0.02 1.88 -2.00 0.00 0.00 179.45 181.12 1wi6 h TYR 100 N 0.30 -0.05 -0.07 0.07 0.05 -1.93 -1.14 116.97 114.20 1wi6 h TYR 100 Ca -0.11 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.59 1wi6 h TYR 100 Cb 1.66 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.41 1wi6 h TYR 100 CO 0.08 -0.01 -0.36 0.87 -1.05 0.00 0.00 178.16 177.69 1wi6 h LYS 101 N -0.00 0.14 -0.04 4.88 1.79 -2.02 -3.47 116.57 117.85 1wi6 h LYS 101 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1wi6 h LYS 101 Cb 0.01 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1wi6 h LYS 101 CO -0.02 0.48 0.00 0.41 -1.08 0.00 0.00 179.45 179.24 1wi6 n GLY 102 N -0.38 1.50 3.10 3.86 0.00 -0.43 -4.94 105.19 107.89 1wi6 n GLY 102 Ca -0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.04 0.45 -0.04 2.61 -4.23 -0.55 -2.64 115.64 109.19 1wi6 s THR 103 Ca 0.00 -1.61 0.04 0.00 -1.18 0.00 0.00 61.69 58.94 1wi6 s THR 103 Cb 0.00 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.59 1wi6 s THR 103 CO 0.00 -0.77 -0.14 0.00 -0.54 0.00 0.00 174.62 173.17 1wi6 s ALA 104 N -3.01 1.32 -0.15 3.99 0.00 -1.15 -1.78 121.76 120.98 1wi6 s ALA 104 Ca 0.03 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1wi6 s ALA 104 Cb 0.01 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.68 1wi6 s ALA 104 CO -0.05 0.22 -0.19 -0.06 0.00 0.00 0.00 175.76 175.69 1wi6 s PHE 105 N 0.14 2.72 -0.02 0.00 0.08 -0.49 -2.53 117.98 117.89 1wi6 s PHE 105 Ca -0.05 -1.23 0.04 0.00 0.12 0.00 0.00 56.93 55.82 1wi6 s PHE 105 Cb -0.11 -1.85 -0.01 0.00 -0.57 0.00 0.00 43.02 40.48 1wi6 s PHE 105 CO 0.02 -0.56 -0.15 0.08 -0.10 0.00 0.00 175.22 174.50 1wi6 s VAL 106 N 0.85 1.20 -0.24 -0.44 1.01 -1.24 -1.60 120.40 119.94 1wi6 s VAL 106 Ca -0.06 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 1wi6 s VAL 106 Cb -0.15 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1wi6 s VAL 106 CO -0.02 0.34 0.01 -0.89 0.00 0.00 0.00 175.10 174.55 1wi6 s THR 107 N -0.23 3.83 0.69 3.92 2.01 -0.89 -1.13 115.64 123.83 1wi6 s THR 107 Ca 0.03 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.69 1wi6 s THR 107 Cb -0.07 -2.78 0.12 0.00 0.01 0.00 0.00 72.50 69.78 1wi6 s THR 107 CO -0.00 0.37 0.95 -0.76 -0.69 0.00 0.00 174.62 174.49 1wi6 s LEU 108 N 1.54 3.01 0.00 4.42 1.43 -1.24 -3.06 118.68 124.78 1wi6 s LEU 108 Ca 0.06 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1wi6 s LEU 108 Cb -0.15 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1wi6 s LEU 108 CO 0.00 -1.76 0.26 -0.11 0.23 0.00 0.00 176.35 174.97 1wi6 n LEU 109 N -2.72 0.70 0.00 1.79 7.94 -1.25 -4.79 117.00 118.67 1wi6 n LEU 109 Ca 0.15 0.49 -0.15 0.00 -1.11 0.00 0.00 56.01 55.39 1wi6 n LEU 109 Cb 0.61 -0.33 0.06 0.00 0.53 0.00 0.00 43.42 44.28 1wi6 n LEU 109 CO 0.42 -0.33 0.29 -0.46 -1.11 0.00 0.00 177.39 176.20 1wi6 n ASN 110 N -1.49 1.48 0.09 1.96 0.23 -1.26 -4.95 115.26 111.32 1wi6 n ASN 110 Ca 0.00 -2.10 0.12 0.00 -0.53 0.00 0.00 54.58 52.07 1wi6 n ASN 110 Cb 0.00 -0.34 0.14 0.00 -2.08 0.00 0.00 39.78 37.51 1wi6 n ASN 110 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1wi6 h GLY 111 N -0.00 0.00 0.82 4.83 0.00 -1.93 -3.34 103.07 103.45 1wi6 h GLY 111 Ca -0.21 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1wi6 h GLY 111 CO 0.28 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.66 1wi6 h GLU 112 N 0.00 0.36 -0.32 4.80 4.39 -1.94 -2.35 114.58 119.52 1wi6 h GLU 112 Ca 0.00 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.53 1wi6 h GLU 112 Cb 0.83 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 1wi6 h GLU 112 CO 0.00 0.55 -0.05 1.96 -1.16 0.00 0.00 179.01 180.31 1wi6 h GLN 113 N 0.13 0.51 -0.26 2.33 4.20 -1.98 -2.01 115.11 118.03 1wi6 h GLN 113 Ca 0.06 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1wi6 h GLN 113 Cb 0.39 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1wi6 h GLN 113 CO 0.01 0.58 0.09 0.00 -0.67 0.00 0.00 178.83 178.84 1wi6 h ALA 114 N 1.47 0.34 -0.29 3.87 0.00 -1.64 -0.14 119.26 122.87 1wi6 h ALA 114 Ca 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1wi6 h ALA 114 Cb 0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1wi6 h ALA 114 CO 0.02 -0.04 0.08 1.49 0.00 0.00 0.00 179.25 180.80 1wi6 h GLU 115 N 0.26 0.46 -0.59 0.00 4.81 -1.23 0.22 114.58 118.52 1wi6 h GLU 115 Ca 0.09 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1wi6 h GLU 115 Cb 0.22 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1wi6 h GLU 115 CO -0.00 0.52 0.34 0.00 -0.73 0.00 0.00 179.01 179.14 1wi6 h ALA 116 N 0.91 0.75 -0.35 2.92 0.00 -1.30 0.32 119.26 122.51 1wi6 h ALA 116 Ca 0.09 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1wi6 h ALA 116 Cb 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1wi6 h ALA 116 CO -0.00 0.25 -0.03 0.00 0.00 0.00 0.00 179.25 179.46 1wi6 h ALA 117 N 1.17 0.48 -0.51 0.00 0.00 -0.90 -2.60 119.26 116.90 1wi6 h ALA 117 Ca 0.21 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1wi6 h ALA 117 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1wi6 h ALA 117 CO -0.04 0.28 -0.14 0.82 0.00 0.00 0.00 179.25 180.17 1wi6 h ILE 118 N 0.45 1.27 -0.43 0.00 2.04 -0.73 0.29 117.51 120.39 1wi6 h ILE 118 Ca 0.10 -1.30 0.04 0.00 1.00 0.00 0.00 64.86 64.70 1wi6 h ILE 118 Cb 0.51 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 1wi6 h ILE 118 CO 0.02 0.45 0.19 -1.13 0.00 0.00 0.00 178.15 177.69 1wi6 h ASN 119 N 0.87 0.26 0.01 1.72 -0.73 -0.31 0.73 115.58 118.13 1wi6 h ASN 119 Ca 0.13 0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.29 1wi6 h ASN 119 Cb 0.71 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.30 1wi6 h ASN 119 CO 0.05 0.19 -0.15 0.74 -0.37 0.00 0.00 177.43 177.89 1wi6 h THR 120 N 0.39 1.65 -0.05 -3.57 2.02 -1.39 -3.28 112.91 108.68 1wi6 h THR 120 Ca 0.19 -2.11 -0.00 0.00 0.77 0.00 0.00 66.41 65.26 1wi6 h THR 120 Cb 0.13 3.05 -0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1wi6 h THR 120 CO -0.16 0.56 0.02 -0.26 0.37 0.00 0.00 175.52 176.05 1wi6 h PHE 121 N -0.73 0.06 -3.97 3.16 0.04 -0.35 -3.41 116.94 111.75 1wi6 h PHE 121 Ca -0.02 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.29 1wi6 h PHE 121 Cb 1.00 -0.02 0.15 0.00 2.20 0.00 0.00 35.95 39.28 1wi6 h PHE 121 CO 0.22 0.06 0.22 -1.58 -0.60 0.00 0.00 178.31 176.63 1wi6 s HIS 122 N -5.09 2.21 -0.23 -0.55 5.65 0.25 -3.28 115.29 114.26 1wi6 s HIS 122 Ca -0.05 1.02 0.00 0.00 0.25 0.00 0.00 55.06 56.28 1wi6 s HIS 122 Cb 0.17 -3.26 0.00 0.00 -1.18 0.00 0.00 32.58 28.31 1wi6 s HIS 122 CO 0.68 -2.71 0.00 0.00 -0.65 0.00 0.00 174.74 172.06 1wi6 n GLN 123 N -4.06 -1.95 -2.72 2.88 10.64 -1.26 -4.87 117.38 116.05 1wi6 n GLN 123 Ca 0.06 0.13 -0.22 0.00 -1.83 0.00 0.00 57.00 55.13 1wi6 n GLN 123 Cb 0.57 -4.41 0.10 0.00 -0.86 0.00 0.00 30.24 25.64 1wi6 n GLN 123 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1wi6 s SER 124 N -1.60 4.52 0.04 2.61 1.04 -1.20 -4.99 113.70 114.10 1wi6 s SER 124 Ca 0.00 -0.53 -0.02 0.00 0.48 0.00 0.00 55.95 55.88 1wi6 s SER 124 Cb 0.00 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 1wi6 s SER 124 CO 0.00 -1.75 -0.00 -0.13 0.98 0.00 0.00 173.24 172.33 1wi6 s ARG 125 N -5.02 0.50 -0.15 4.02 0.52 -1.26 -2.48 118.95 115.07 1wi6 s ARG 125 Ca 0.65 -0.91 -0.11 0.00 -0.52 0.00 0.00 55.73 54.84 1wi6 s ARG 125 Cb -0.05 0.18 0.05 0.00 0.52 0.00 0.00 34.95 35.65 1wi6 s ARG 125 CO 0.43 -0.10 0.39 -1.17 0.02 0.00 0.00 175.30 174.87 1wi6 s LEU 126 N -2.25 0.25 -1.80 2.53 2.96 -0.16 -4.90 118.68 115.30 1wi6 s LEU 126 Ca -0.03 0.82 -0.20 0.00 -0.22 0.00 0.00 54.13 54.49 1wi6 s LEU 126 Cb -0.00 1.30 0.20 0.00 0.50 0.00 0.00 46.19 48.20 1wi6 s LEU 126 CO -0.06 -0.16 0.51 0.54 -1.32 0.00 0.00 176.35 175.85 1wi6 n ARG 127 N 3.55 -0.75 -2.95 1.98 5.12 -1.26 0.21 116.66 122.56 1wi6 n ARG 127 Ca -0.18 0.13 -0.12 0.00 -1.93 0.00 0.00 57.85 55.75 1wi6 n ARG 127 Cb 0.56 -4.46 0.06 0.00 -1.16 0.00 0.00 32.46 27.46 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 -4.05 -3.63 -3.69 5.56 -0.58 -1.26 -5.04 120.64 107.94 1wi6 n GLU 128 Ca 0.06 0.63 -0.14 0.00 -0.42 0.00 0.00 57.16 57.28 1wi6 n GLU 128 Cb 0.47 -4.87 -0.08 0.00 -0.57 0.00 0.00 31.44 26.39 1wi6 n GLU 128 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1wi6 s ARG 129 N -4.62 0.70 -0.15 3.49 1.04 0.13 -5.14 118.95 114.41 1wi6 s ARG 129 Ca 0.13 0.25 -0.27 0.00 -1.04 0.00 0.00 55.73 54.79 1wi6 s ARG 129 Cb -0.02 0.33 -0.01 0.00 -2.04 0.00 0.00 34.95 33.21 1wi6 s ARG 129 CO 0.54 -0.17 0.93 -2.00 -0.04 0.00 0.00 175.30 174.56 1wi6 s GLU 130 N -0.66 4.35 -0.18 3.89 2.12 -1.26 -0.99 118.70 125.96 1wi6 s GLU 130 Ca -0.08 1.21 -0.09 0.00 0.36 0.00 0.00 54.97 56.37 1wi6 s GLU 130 Cb -0.03 -3.57 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 1wi6 s GLU 130 CO 0.04 -0.35 0.14 -0.51 -0.54 0.00 0.00 175.26 174.03 1wi6 s LEU 131 N 2.20 4.26 -0.22 2.70 1.43 -1.04 -4.85 118.68 123.16 1wi6 s LEU 131 Ca 0.43 0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 53.75 1wi6 s LEU 131 Cb -0.17 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 1wi6 s LEU 131 CO 0.14 0.24 0.10 -0.44 0.23 0.00 0.00 176.35 176.61 1wi6 s SER 132 N -0.01 5.60 -0.04 2.29 0.01 -1.03 -4.14 113.70 116.39 1wi6 s SER 132 Ca 0.10 -0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.37 1wi6 s SER 132 Cb -0.11 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.13 1wi6 s SER 132 CO -0.00 0.06 -0.12 -0.69 0.41 0.00 0.00 173.24 172.90 1wi6 s VAL 133 N 1.05 1.03 0.18 3.43 1.01 -1.26 -0.58 120.40 125.25 1wi6 s VAL 133 Ca 0.05 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 1wi6 s VAL 133 Cb -0.14 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.36 1wi6 s VAL 133 CO 0.04 0.31 0.51 0.00 0.00 0.00 0.00 175.10 175.96 1wi6 s GLN 134 N 0.24 1.32 0.40 2.72 -2.07 -0.49 -4.82 119.66 116.96 1wi6 s GLN 134 Ca -0.05 -0.81 -0.26 0.00 -1.82 0.00 0.00 55.36 52.42 1wi6 s GLN 134 Cb -0.11 0.52 -0.09 0.00 -1.09 0.00 0.00 33.01 32.24 1wi6 s GLN 134 CO 0.01 -0.56 1.30 -0.51 -1.32 0.00 0.00 175.29 174.22 1wi6 s LEU 135 N -2.85 4.24 0.20 2.60 1.43 -1.26 -0.44 118.68 122.60 1wi6 s LEU 135 Ca 0.08 2.65 -0.29 0.00 -1.03 0.00 0.00 54.13 55.54 1wi6 s LEU 135 Cb -0.01 -3.87 -0.08 0.00 0.03 0.00 0.00 46.19 42.26 1wi6 s LEU 135 CO -0.05 -0.80 0.89 -1.58 0.23 0.00 0.00 176.35 175.04 1wi6 s GLN 136 N -2.18 4.75 -0.08 1.70 0.74 -0.98 -4.71 119.66 118.89 1wi6 s GLN 136 Ca 0.56 1.38 -0.30 0.00 0.05 0.00 0.00 55.36 57.06 1wi6 s GLN 136 Cb -0.38 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.40 1wi6 s GLN 136 CO 0.49 0.49 1.52 -1.25 -0.55 0.00 0.00 175.29 175.99 1wi6 s PRO 137 N -1.00 4.20 0.55 1.67 0.04 -1.26 -4.77 135.00 134.43 1wi6 s PRO 137 Ca 0.40 2.01 -0.21 0.00 0.04 0.00 0.00 61.00 63.24 1wi6 s PRO 137 Cb -0.25 -3.89 -0.05 0.00 0.04 0.00 0.00 34.50 30.36 1wi6 s PRO 137 CO 0.30 -0.79 1.28 0.95 0.04 0.00 0.00 177.00 178.79 1wi6 s THR 138 N 3.76 2.39 -1.62 1.26 -4.23 -1.26 -2.92 115.64 113.02 1wi6 s THR 138 Ca 0.67 0.28 -0.09 0.00 -1.18 0.00 0.00 61.69 61.37 1wi6 s THR 138 Cb -0.30 -3.13 0.09 0.00 1.34 0.00 0.00 72.50 70.50 1wi6 s THR 138 CO 0.25 -0.02 0.22 -0.67 -0.54 0.00 0.00 174.62 173.86 1wi6 n ASP 139 N -1.11 -0.09 -4.82 3.99 -0.08 -1.26 -4.87 116.55 108.31 1wi6 n ASP 139 Ca 0.11 -1.22 -0.32 0.00 -1.51 0.00 0.00 54.79 51.85 1wi6 n ASP 139 Cb 0.47 -1.53 0.01 0.00 2.34 0.00 0.00 41.12 42.40 1wi6 n ASP 139 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wi6 s ALA 140 N -3.90 2.83 -0.03 -1.67 0.00 -1.15 -5.00 121.76 112.85 1wi6 s ALA 140 Ca 0.31 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1wi6 s ALA 140 Cb -0.18 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1wi6 s ALA 140 CO 0.97 -0.74 -0.03 -0.11 0.00 0.00 0.00 175.76 175.86 1wi6 n LEU 141 N -2.17 2.71 -3.67 0.00 -0.00 -1.26 -5.06 117.00 107.54 1wi6 n LEU 141 Ca 0.08 -0.01 -0.09 0.00 -0.00 0.00 0.00 56.01 55.99 1wi6 n LEU 141 Cb 0.53 -0.09 -0.09 0.00 -0.00 0.00 0.00 43.42 43.77 1wi6 n LEU 141 CO 0.49 0.49 0.21 -0.22 -0.00 0.00 0.00 177.39 178.37 1wi6 s LEU 142 N -5.26 -0.51 -0.47 -1.96 2.96 -1.26 -5.12 118.68 107.05 1wi6 s LEU 142 Ca -0.04 1.22 -0.27 0.00 -0.22 0.00 0.00 54.13 54.82 1wi6 s LEU 142 Cb 0.01 1.90 0.03 0.00 0.50 0.00 0.00 46.19 48.63 1wi6 s LEU 142 CO 0.06 -0.22 1.01 0.00 -1.32 0.00 0.00 176.35 175.89 1wi6 s SER 144 N 2.38 5.32 0.89 0.00 0.15 -1.26 -5.11 113.70 116.07 1wi6 s SER 144 Ca 0.41 -0.25 -0.11 0.00 0.70 0.00 0.00 55.95 56.70 1wi6 s SER 144 Cb -0.09 -1.31 0.13 0.00 -1.71 0.00 0.00 66.02 63.04 1wi6 s SER 144 CO 0.28 0.03 1.11 -0.83 1.20 0.00 0.00 173.24 175.03 1wi6 s GLY 145 N -3.38 1.66 0.35 9.45 0.00 -1.26 -4.91 107.32 109.23 1wi6 s GLY 145 Ca 0.31 0.34 0.27 0.00 0.00 0.00 0.00 44.72 45.64 1wi6 s GLY 145 CO 0.23 0.77 1.80 -0.56 0.00 0.00 0.00 173.10 175.34 1wi6 h PRO 146 N -1.67 0.00 -5.23 2.90 0.13 -2.05 -3.44 132.00 122.63 1wi6 h PRO 146 Ca -0.46 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.10 1wi6 h PRO 146 Cb 1.26 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 1wi6 h PRO 146 CO 0.47 0.00 -0.56 -1.12 -0.23 0.00 0.00 178.00 176.56 1wi6 s SER 147 N -4.66 3.12 0.00 1.44 0.01 -1.26 -5.05 113.70 107.29 1wi6 s SER 147 Ca 0.03 -1.53 0.06 0.00 1.31 0.00 0.00 55.95 55.82 1wi6 s SER 147 Cb 0.09 0.19 0.15 0.00 0.21 0.00 0.00 66.02 66.66 1wi6 s SER 147 CO 0.43 -0.74 1.09 -1.54 0.41 0.00 0.00 173.24 172.90 1wi6 n SER 148 N -1.05 2.40 0.00 2.44 3.41 -1.26 -5.14 113.62 114.42 1wi6 n SER 148 Ca -0.08 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 1wi6 n SER 148 Cb 0.66 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1wi6 n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49