#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 -0.14 0.48 1.61 0.15 -1.26 -5.14 113.70 109.40 1wi6 s SER 63 Ca 0.00 -0.51 -0.19 0.00 0.70 0.00 0.00 55.95 55.95 1wi6 s SER 63 Cb 0.00 0.47 -0.14 0.00 -1.71 0.00 0.00 66.02 64.64 1wi6 s SER 63 CO 0.00 -0.89 0.10 -1.20 1.20 0.00 0.00 173.24 172.44 1wi6 n SER 64 N -0.23 -2.79 -0.35 5.45 7.64 -1.26 -4.70 113.62 117.39 1wi6 n SER 64 Ca -0.13 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1wi6 n SER 64 Cb 0.63 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1wi6 n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi6 n GLY 65 N 2.28 -0.44 3.27 0.23 0.00 -1.26 -5.14 105.19 104.13 1wi6 n GLY 65 Ca 0.10 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 -0.23 0.95 1.61 0.01 -1.26 -4.95 113.70 109.83 1wi6 s SER 66 Ca 0.00 0.10 -0.14 0.00 1.31 0.00 0.00 55.95 57.22 1wi6 s SER 66 Cb 0.00 0.34 0.21 0.00 0.21 0.00 0.00 66.02 66.78 1wi6 s SER 66 CO 0.00 -0.50 1.30 -0.94 0.41 0.00 0.00 173.24 173.51 1wi6 s SER 67 N -1.45 3.05 0.00 2.44 1.04 -1.26 -4.66 113.70 112.85 1wi6 s SER 67 Ca -0.12 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1wi6 s SER 67 Cb -0.04 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1wi6 s SER 67 CO 0.03 -2.76 0.00 0.61 0.98 0.00 0.00 173.24 172.11 1wi6 n GLY 68 N -3.70 -2.28 3.28 7.32 0.00 -1.26 -4.45 105.19 104.09 1wi6 n GLY 68 Ca 0.17 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.45 1.19 -0.02 -0.61 -5.25 -0.41 -2.06 121.20 112.59 1wi6 s ILE 69 Ca 0.00 -2.07 -0.00 0.00 -0.99 0.00 0.00 60.65 57.59 1wi6 s ILE 69 Cb 0.00 -1.98 0.03 0.00 2.95 0.00 0.00 42.46 43.46 1wi6 s ILE 69 CO 0.00 -0.64 0.03 -0.22 -1.79 0.00 0.00 174.94 172.32 1wi6 s LEU 70 N -3.21 0.97 -0.02 0.37 2.96 -0.07 -3.28 118.68 116.40 1wi6 s LEU 70 Ca 0.20 0.04 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 1wi6 s LEU 70 Cb 0.03 -0.09 -0.03 0.00 0.50 0.00 0.00 46.19 46.61 1wi6 s LEU 70 CO 0.03 -0.14 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.11 1wi6 s ILE 71 N 1.20 2.82 -0.05 6.68 1.01 -1.11 -1.35 121.20 130.40 1wi6 s ILE 71 Ca -0.07 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.71 1wi6 s ILE 71 Cb -0.13 -2.11 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 1wi6 s ILE 71 CO -0.03 0.52 -0.18 -0.13 0.00 0.00 0.00 174.94 175.13 1wi6 s ARG 72 N -0.90 1.94 0.00 2.79 0.52 0.14 -3.26 118.95 120.18 1wi6 s ARG 72 Ca 0.12 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.70 1wi6 s ARG 72 Cb -0.10 -1.65 0.00 0.00 0.52 0.00 0.00 34.95 33.72 1wi6 s ARG 72 CO 0.02 0.22 0.00 0.41 0.02 0.00 0.00 175.30 175.97 1wi6 n GLY 73 N 3.24 -0.16 3.54 -3.53 0.00 -1.06 -1.96 105.19 105.27 1wi6 n GLY 73 Ca -0.19 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.44 2.92 1.15 0.99 1.43 -1.14 -4.80 118.68 118.79 1wi6 s LEU 74 Ca 0.00 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.49 1wi6 s LEU 74 Cb 0.00 -1.73 0.26 0.00 0.03 0.00 0.00 46.19 44.75 1wi6 s LEU 74 CO 0.00 0.18 1.10 -2.16 0.23 0.00 0.00 176.35 175.71 1wi6 s PRO 75 N -2.14 -0.76 0.00 1.29 0.04 -1.26 -4.94 135.00 127.22 1wi6 s PRO 75 Ca 0.20 0.10 0.29 0.00 0.04 0.00 0.00 61.00 61.63 1wi6 s PRO 75 Cb -0.11 -1.64 1.36 0.00 0.04 0.00 0.00 34.50 34.15 1wi6 s PRO 75 CO 0.12 -3.44 1.96 0.41 0.04 0.00 0.00 177.00 176.09 1wi6 n GLY 76 N -0.99 -1.22 0.48 0.56 0.00 -1.26 -3.15 105.19 99.62 1wi6 n GLY 76 Ca 0.11 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.23 2.23 -4.61 1.61 8.00 -1.26 -5.00 116.55 116.29 1wi6 n ASP 77 Ca 0.13 -1.64 -0.47 0.00 0.71 0.00 0.00 54.79 53.52 1wi6 n ASP 77 Cb 0.27 -0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.24 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 0.53 0.45 -4.54 2.53 3.14 -1.19 -4.96 118.33 114.30 1wi6 n VAL 78 Ca 0.08 -0.24 -0.27 0.00 -2.96 0.00 0.00 64.34 60.95 1wi6 n VAL 78 Cb 0.32 -2.05 -0.10 0.00 -1.06 0.00 0.00 33.84 30.94 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 5.97 2.19 0.48 1.55 -1.32 -1.26 -4.93 115.64 118.32 1wi6 s THR 79 Ca 0.98 -2.10 0.18 0.00 -1.21 0.00 0.00 61.69 59.54 1wi6 s THR 79 Cb -0.61 -2.79 0.34 0.00 -1.51 0.00 0.00 72.50 67.92 1wi6 s THR 79 CO 0.46 -0.13 2.02 -0.55 -2.21 0.00 0.00 174.62 174.22 1wi6 h ASN 80 N 1.90 0.18 -0.23 8.08 7.08 -1.95 -0.22 115.58 130.42 1wi6 h ASN 80 Ca -0.43 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 52.75 1wi6 h ASN 80 Cb 1.25 -0.04 -0.02 0.00 -2.08 0.00 0.00 38.32 37.43 1wi6 h ASN 80 CO 0.74 0.11 0.01 -0.61 -2.08 0.00 0.00 177.43 175.60 1wi6 h GLN 81 N 0.20 0.52 -0.34 4.14 5.75 -1.98 -0.73 115.11 122.68 1wi6 h GLN 81 Ca 0.21 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 1wi6 h GLN 81 Cb 0.56 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 1wi6 h GLN 81 CO -0.04 0.54 0.10 1.49 -2.65 0.00 0.00 178.83 178.28 1wi6 h GLU 82 N 0.50 0.53 -0.37 1.69 4.81 -1.42 0.40 114.58 120.71 1wi6 h GLU 82 Ca 0.11 -0.11 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 1wi6 h GLU 82 Cb 0.31 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1wi6 h GLU 82 CO 0.01 0.56 -0.40 -0.39 -0.73 0.00 0.00 179.01 178.06 1wi6 h VAL 83 N 0.39 1.27 -0.25 0.32 -1.51 -1.44 -1.67 116.25 113.37 1wi6 h VAL 83 Ca 0.11 -1.57 -0.02 0.00 -1.23 0.00 0.00 66.70 63.99 1wi6 h VAL 83 Cb 0.25 1.43 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 1wi6 h VAL 83 CO -0.00 0.52 0.07 0.45 -1.23 0.00 0.00 177.57 177.38 1wi6 h HIS 84 N 0.73 0.41 -0.45 5.19 3.86 -1.04 -1.99 115.15 121.85 1wi6 h HIS 84 Ca 0.05 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.15 1wi6 h HIS 84 Cb 0.99 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.33 1wi6 h HIS 84 CO 0.07 0.46 -0.02 0.22 0.86 0.00 0.00 177.93 179.52 1wi6 h ASP 85 N 0.23 0.71 -0.45 2.45 3.58 -0.92 0.97 116.42 122.99 1wi6 h ASP 85 Ca 0.08 -0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.30 1wi6 h ASP 85 Cb 0.25 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 1wi6 h ASP 85 CO -0.00 0.79 0.08 0.25 -2.88 0.00 0.00 179.24 177.48 1wi6 h LEU 86 N 0.69 0.76 -3.53 2.28 5.85 -1.10 -2.88 115.31 117.38 1wi6 h LEU 86 Ca 0.14 -0.15 -0.34 0.00 0.84 0.00 0.00 57.88 58.37 1wi6 h LEU 86 Cb 0.45 -0.20 -0.21 0.00 0.37 0.00 0.00 40.66 41.07 1wi6 h LEU 86 CO 0.02 0.78 -0.14 0.18 -0.34 0.00 0.00 178.44 178.94 1wi6 n LEU 87 N -4.26 4.79 -0.39 2.25 4.77 -0.77 -4.67 117.00 118.73 1wi6 n LEU 87 Ca 0.03 -4.09 0.01 0.00 -0.03 0.00 0.00 56.01 51.93 1wi6 n LEU 87 Cb 0.25 -0.61 0.03 0.00 -2.33 0.00 0.00 43.42 40.76 1wi6 n LEU 87 CO 0.40 1.50 0.40 -0.24 -1.33 0.00 0.00 177.39 178.13 1wi6 n SER 88 N -1.00 0.91 -0.02 -1.43 2.88 0.31 -3.09 113.62 112.18 1wi6 n SER 88 Ca 0.40 -2.04 0.03 0.00 -1.33 0.00 0.00 58.87 55.92 1wi6 n SER 88 Cb 0.97 -0.30 -0.10 0.00 -0.75 0.00 0.00 64.21 64.03 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 -0.12 1.91 -4.82 -3.46 8.00 -1.26 -5.02 116.55 111.78 1wi6 n ASP 89 Ca 0.02 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.26 1wi6 n ASP 89 Cb 0.20 1.37 -0.04 0.00 -0.02 0.00 0.00 41.12 42.63 1wi6 n ASP 89 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1wi6 s TYR 90 N -2.74 2.09 -0.48 1.24 1.51 -1.18 -5.08 117.35 112.71 1wi6 s TYR 90 Ca -0.05 -0.74 -0.29 0.00 -1.01 0.00 0.00 57.07 54.98 1wi6 s TYR 90 Cb 0.07 -1.91 0.03 0.00 -0.11 0.00 0.00 41.96 40.04 1wi6 s TYR 90 CO 0.55 -0.12 1.14 -1.21 -1.11 0.00 0.00 175.55 174.80 1wi6 s GLU 91 N -4.08 3.71 -0.89 -0.62 0.41 -1.26 -4.97 118.70 110.99 1wi6 s GLU 91 Ca 0.33 0.55 -0.20 0.00 -0.41 0.00 0.00 54.97 55.24 1wi6 s GLU 91 Cb 0.00 -3.91 0.11 0.00 -1.78 0.00 0.00 34.13 28.55 1wi6 s GLU 91 CO 0.19 -1.40 1.13 -0.51 -0.49 0.00 0.00 175.26 174.19 1wi6 s LEU 92 N 4.49 4.78 0.27 1.80 1.43 -1.26 -3.52 118.68 126.66 1wi6 s LEU 92 Ca 0.48 -1.81 0.06 0.00 -1.03 0.00 0.00 54.13 51.83 1wi6 s LEU 92 Cb -0.07 -2.42 0.36 0.00 0.03 0.00 0.00 46.19 44.09 1wi6 s LEU 92 CO 0.32 -1.17 1.63 0.11 0.23 0.00 0.00 176.35 177.47 1wi6 h LYS 93 N 9.06 0.23 -2.13 1.70 1.79 -1.80 -3.45 116.57 121.97 1wi6 h LYS 93 Ca 0.09 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1wi6 h LYS 93 Cb 1.03 0.01 -0.22 0.00 -1.58 0.00 0.00 32.23 31.47 1wi6 h LYS 93 CO 1.15 0.68 -0.02 -0.47 -1.08 0.00 0.00 179.45 179.72 1wi6 s TYR 94 N -3.95 -0.93 -0.08 -1.35 5.04 -1.08 -5.00 117.35 110.01 1wi6 s TYR 94 Ca -0.04 1.93 0.03 0.00 -2.44 0.00 0.00 57.07 56.55 1wi6 s TYR 94 Cb 0.13 0.50 0.01 0.00 0.35 0.00 0.00 41.96 42.95 1wi6 s TYR 94 CO 0.78 -0.46 -0.16 0.00 -1.34 0.00 0.00 175.55 174.37 1wi6 s PHE 96 N 0.59 0.85 -0.19 0.00 5.36 0.23 -4.99 117.98 119.83 1wi6 s PHE 96 Ca -0.15 -0.29 -0.01 0.00 -0.96 0.00 0.00 56.93 55.52 1wi6 s PHE 96 Cb -0.16 -0.87 0.01 0.00 -0.34 0.00 0.00 43.02 41.66 1wi6 s PHE 96 CO 0.05 -0.34 -0.15 0.08 -1.46 0.00 0.00 175.22 173.40 1wi6 s VAL 97 N 1.74 2.49 -0.33 3.12 1.01 -1.26 0.11 120.40 127.29 1wi6 s VAL 97 Ca 0.02 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1wi6 s VAL 97 Cb -0.13 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.20 1wi6 s VAL 97 CO -0.05 0.50 0.10 -0.62 0.00 0.00 0.00 175.10 175.03 1wi6 s ASP 98 N 1.32 5.25 0.13 3.32 -1.08 0.79 -4.94 116.67 121.46 1wi6 s ASP 98 Ca 0.05 -1.02 0.25 0.00 -0.52 0.00 0.00 52.55 51.31 1wi6 s ASP 98 Cb -0.14 -1.87 0.47 0.00 -1.46 0.00 0.00 42.92 39.92 1wi6 s ASP 98 CO -0.09 -0.29 1.43 2.29 0.52 0.00 0.00 175.17 179.03 1wi6 n LYS 99 N 4.83 0.26 0.09 4.34 2.85 -1.26 -1.59 118.16 127.67 1wi6 n LYS 99 Ca -0.13 0.10 -0.06 0.00 -1.05 0.00 0.00 58.31 57.17 1wi6 n LYS 99 Cb 0.46 -1.69 -0.04 0.00 -0.65 0.00 0.00 35.03 33.10 1wi6 n LYS 99 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 1wi6 h TYR 100 N 0.00 -0.30 0.00 5.58 0.05 -1.92 -3.32 116.97 117.06 1wi6 h TYR 100 Ca 0.00 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1wi6 h TYR 100 Cb 0.72 0.10 -0.00 0.00 1.01 0.00 0.00 36.73 38.56 1wi6 h TYR 100 CO 0.00 -0.10 -0.11 0.87 -1.05 0.00 0.00 178.16 177.77 1wi6 h LYS 101 N -1.06 0.00 -0.22 4.88 1.79 -2.01 -3.47 116.57 116.49 1wi6 h LYS 101 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1wi6 h LYS 101 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1wi6 h LYS 101 CO 0.05 0.11 0.00 0.41 -1.08 0.00 0.00 179.45 178.95 1wi6 n GLY 102 N 0.76 0.89 3.15 3.86 0.00 -1.04 -4.91 105.19 107.90 1wi6 n GLY 102 Ca 0.02 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 0.14 -0.03 2.61 -4.23 -0.62 -2.56 115.64 108.73 1wi6 s THR 103 Ca 0.00 -1.80 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 1wi6 s THR 103 Cb 0.00 -1.82 0.02 0.00 1.34 0.00 0.00 72.50 72.03 1wi6 s THR 103 CO 0.00 -0.63 -0.04 0.00 -0.54 0.00 0.00 174.62 173.41 1wi6 s ALA 104 N -3.99 0.59 -0.17 3.99 0.00 -1.20 -0.15 121.76 120.83 1wi6 s ALA 104 Ca 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.06 1wi6 s ALA 104 Cb 0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 1wi6 s ALA 104 CO -0.03 0.01 -0.10 -0.06 0.00 0.00 0.00 175.76 175.59 1wi6 s PHE 105 N 0.72 2.88 -0.02 0.00 0.40 0.30 -2.74 117.98 119.53 1wi6 s PHE 105 Ca -0.09 -0.80 0.03 0.00 -0.60 0.00 0.00 56.93 55.47 1wi6 s PHE 105 Cb -0.12 -1.95 -0.00 0.00 0.51 0.00 0.00 43.02 41.45 1wi6 s PHE 105 CO -0.00 -0.36 -0.11 0.08 0.70 0.00 0.00 175.22 175.53 1wi6 s VAL 106 N 0.83 0.89 -0.28 -0.44 1.01 -1.20 0.74 120.40 121.94 1wi6 s VAL 106 Ca -0.03 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 1wi6 s VAL 106 Cb -0.15 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 35.46 1wi6 s VAL 106 CO 0.01 0.26 0.08 -0.89 0.00 0.00 0.00 175.10 174.56 1wi6 s THR 107 N -0.08 4.10 0.77 3.92 2.01 0.76 -1.29 115.64 125.84 1wi6 s THR 107 Ca 0.01 -0.52 -0.04 0.00 0.31 0.00 0.00 61.69 61.45 1wi6 s THR 107 Cb -0.06 -3.05 0.14 0.00 0.01 0.00 0.00 72.50 69.54 1wi6 s THR 107 CO 0.00 0.16 1.06 -0.76 -0.69 0.00 0.00 174.62 174.40 1wi6 s LEU 108 N 1.54 2.92 -0.02 4.42 1.43 -1.26 -2.58 118.68 125.12 1wi6 s LEU 108 Ca 0.04 -0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1wi6 s LEU 108 Cb -0.16 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 1wi6 s LEU 108 CO 0.03 -2.04 0.23 0.25 0.23 0.00 0.00 176.35 175.06 1wi6 h LEU 109 N -0.76 -0.08-10.54 1.79 5.85 -1.98 -3.43 115.31 106.16 1wi6 h LEU 109 Ca -0.38 0.00 -0.51 0.00 0.84 0.00 0.00 57.88 57.83 1wi6 h LEU 109 Cb 1.26 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1wi6 h LEU 109 CO 0.40 0.09 -0.17 0.20 -0.34 0.00 0.00 178.44 178.62 1wi6 s ASN 110 N -3.69 5.01 0.08 1.25 0.01 -1.26 -4.93 114.94 111.40 1wi6 s ASN 110 Ca -0.01 -0.93 0.10 0.00 -0.71 0.00 0.00 52.86 51.31 1wi6 s ASN 110 Cb 0.00 0.24 -0.19 0.00 0.41 0.00 0.00 41.25 41.71 1wi6 s ASN 110 CO 0.04 -1.22 1.07 1.23 -1.51 0.00 0.00 177.10 176.72 1wi6 h GLY 111 N 0.39 0.00 0.81 0.66 0.00 -1.93 -3.32 103.07 99.68 1wi6 h GLY 111 Ca -0.33 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.04 1wi6 h GLY 111 CO 0.46 0.00 0.38 0.83 0.00 0.00 0.00 176.54 178.21 1wi6 h GLU 112 N 0.00 0.72 -0.79 4.80 4.39 -1.96 -1.17 114.58 120.56 1wi6 h GLU 112 Ca -0.11 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.51 1wi6 h GLU 112 Cb 1.80 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 30.25 1wi6 h GLU 112 CO 0.10 0.47 0.32 1.96 -1.16 0.00 0.00 179.01 180.71 1wi6 h GLN 113 N 0.74 1.17 -0.29 2.33 4.20 -1.98 -0.21 115.11 121.08 1wi6 h GLN 113 Ca 0.27 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1wi6 h GLN 113 Cb 0.08 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1wi6 h GLN 113 CO -0.13 0.94 0.11 0.00 -0.67 0.00 0.00 178.83 179.08 1wi6 h ALA 114 N 1.20 0.37 -0.37 3.87 0.00 -1.49 -0.52 119.26 122.33 1wi6 h ALA 114 Ca 0.26 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1wi6 h ALA 114 Cb 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1wi6 h ALA 114 CO -0.02 -0.02 0.01 1.49 0.00 0.00 0.00 179.25 180.72 1wi6 h GLU 115 N 0.31 0.65 -0.66 0.00 4.81 -1.04 -0.53 114.58 118.12 1wi6 h GLU 115 Ca 0.09 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1wi6 h GLU 115 Cb 0.20 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1wi6 h GLU 115 CO -0.01 0.74 0.39 0.00 -0.73 0.00 0.00 179.01 179.41 1wi6 h ALA 116 N 0.88 0.84 -0.34 2.92 0.00 -0.94 0.31 119.26 122.92 1wi6 h ALA 116 Ca 0.11 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1wi6 h ALA 116 Cb 0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1wi6 h ALA 116 CO 0.02 0.32 -0.15 0.00 0.00 0.00 0.00 179.25 179.44 1wi6 h ALA 117 N 1.20 0.48 -0.52 0.00 0.00 -0.99 -2.89 119.26 116.55 1wi6 h ALA 117 Ca 0.24 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1wi6 h ALA 117 Cb -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1wi6 h ALA 117 CO -0.04 0.38 -0.16 0.82 0.00 0.00 0.00 179.25 180.25 1wi6 h ILE 118 N 0.49 1.27 -0.39 0.00 2.04 -0.85 0.31 117.51 120.37 1wi6 h ILE 118 Ca 0.08 -1.33 0.06 0.00 1.00 0.00 0.00 64.86 64.67 1wi6 h ILE 118 Cb 0.68 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 1wi6 h ILE 118 CO 0.05 0.47 0.08 -1.13 0.00 0.00 0.00 178.15 177.61 1wi6 h ASN 119 N 0.90 0.02 0.03 1.72 -0.73 -0.36 1.00 115.58 118.16 1wi6 h ASN 119 Ca 0.13 0.06 -0.05 0.00 1.87 0.00 0.00 56.30 58.31 1wi6 h ASN 119 Cb 0.74 0.08 0.01 0.00 0.27 0.00 0.00 38.32 39.42 1wi6 h ASN 119 CO 0.06 0.05 -0.22 0.74 -0.37 0.00 0.00 177.43 177.69 1wi6 h THR 120 N 0.21 1.68 0.00 -3.57 2.02 -1.45 -3.28 112.91 108.52 1wi6 h THR 120 Ca 0.19 -2.27 -0.01 0.00 0.77 0.00 0.00 66.41 65.09 1wi6 h THR 120 Cb 0.22 3.20 -0.00 0.00 -1.74 0.00 0.00 68.15 69.82 1wi6 h THR 120 CO -0.24 0.61 -0.04 -0.26 0.37 0.00 0.00 175.52 175.95 1wi6 h PHE 121 N -0.76 0.00 -4.13 3.16 0.04 -0.28 -3.41 116.94 111.57 1wi6 h PHE 121 Ca -0.04 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 60.25 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 0.24 0.04 0.27 -1.58 -0.60 0.00 0.00 178.31 176.68 1wi6 s HIS 122 N -4.61 2.40 -0.19 -0.55 5.65 0.34 -3.22 115.29 115.11 1wi6 s HIS 122 Ca -0.04 1.27 0.00 0.00 0.25 0.00 0.00 55.06 56.54 1wi6 s HIS 122 Cb 0.15 -3.15 0.00 0.00 -1.18 0.00 0.00 32.58 28.40 1wi6 s HIS 122 CO 0.59 -2.26 0.00 0.00 -0.65 0.00 0.00 174.74 172.41 1wi6 n GLN 123 N -3.79 -2.45 -2.99 2.88 10.64 -1.26 -4.87 117.38 115.54 1wi6 n GLN 123 Ca 0.07 0.11 -0.20 0.00 -1.83 0.00 0.00 57.00 55.15 1wi6 n GLN 123 Cb 0.55 -4.52 0.07 0.00 -0.86 0.00 0.00 30.24 25.48 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 -1.82 4.99 0.01 2.61 1.04 -1.20 -4.98 113.70 114.35 1wi6 s SER 124 Ca 0.00 -0.82 -0.04 0.00 0.48 0.00 0.00 55.95 55.57 1wi6 s SER 124 Cb 0.00 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 1wi6 s SER 124 CO 0.00 -1.43 0.07 -0.13 0.98 0.00 0.00 173.24 172.73 1wi6 s ARG 125 N -4.73 0.41 -0.01 4.02 0.52 -1.26 -1.61 118.95 116.29 1wi6 s ARG 125 Ca 0.63 -0.48 -0.02 0.00 -0.52 0.00 0.00 55.73 55.34 1wi6 s ARG 125 Cb -0.05 0.16 -0.00 0.00 0.52 0.00 0.00 34.95 35.58 1wi6 s ARG 125 CO 0.40 -0.09 0.03 -1.17 0.02 0.00 0.00 175.30 174.49 1wi6 s LEU 126 N -1.41 1.91 -1.51 2.53 2.96 0.48 -4.87 118.68 118.78 1wi6 s LEU 126 Ca -0.15 -0.08 -0.15 0.00 -0.22 0.00 0.00 54.13 53.52 1wi6 s LEU 126 Cb -0.08 0.18 0.15 0.00 0.50 0.00 0.00 46.19 46.94 1wi6 s LEU 126 CO 0.01 -0.12 0.38 0.54 -1.32 0.00 0.00 176.35 175.84 1wi6 n ARG 127 N 2.55 -0.80 -2.99 1.98 5.12 -1.26 0.69 116.66 121.95 1wi6 n ARG 127 Ca -0.16 0.11 -0.12 0.00 -1.93 0.00 0.00 57.85 55.74 1wi6 n ARG 127 Cb 0.58 -3.72 0.06 0.00 -1.16 0.00 0.00 32.46 28.22 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 -3.60 -3.60 -3.66 5.56 -0.58 -1.26 -5.04 120.64 108.45 1wi6 n GLU 128 Ca 0.01 0.66 -0.15 0.00 -0.42 0.00 0.00 57.16 57.26 1wi6 n GLU 128 Cb 0.43 -4.98 -0.08 0.00 -0.57 0.00 0.00 31.44 26.24 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 -4.61 0.77 -0.13 3.49 1.04 0.22 -5.14 118.95 114.58 1wi6 s ARG 129 Ca 0.16 0.34 -0.29 0.00 -1.04 0.00 0.00 55.73 54.90 1wi6 s ARG 129 Cb -0.02 0.36 -0.01 0.00 -2.04 0.00 0.00 34.95 33.24 1wi6 s ARG 129 CO 0.56 -0.18 0.98 -2.00 -0.04 0.00 0.00 175.30 174.62 1wi6 s GLU 130 N -0.61 4.38 -0.17 3.89 2.12 -1.26 -0.39 118.70 126.66 1wi6 s GLU 130 Ca -0.07 1.32 -0.08 0.00 0.36 0.00 0.00 54.97 56.50 1wi6 s GLU 130 Cb -0.03 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 1wi6 s GLU 130 CO 0.04 -0.36 0.08 -0.51 -0.54 0.00 0.00 175.26 173.97 1wi6 s LEU 131 N 2.21 3.95 -0.23 2.70 1.43 -0.63 -4.83 118.68 123.28 1wi6 s LEU 131 Ca 0.46 0.16 -0.06 0.00 -1.03 0.00 0.00 54.13 53.66 1wi6 s LEU 131 Cb -0.17 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 1wi6 s LEU 131 CO 0.15 0.21 0.04 -0.44 0.23 0.00 0.00 176.35 176.54 1wi6 s SER 132 N 0.15 4.96 0.01 2.29 0.01 -0.83 -3.92 113.70 116.37 1wi6 s SER 132 Ca 0.06 -0.22 0.08 0.00 1.31 0.00 0.00 55.95 57.18 1wi6 s SER 132 Cb -0.12 -1.88 -0.02 0.00 0.21 0.00 0.00 66.02 64.21 1wi6 s SER 132 CO 0.00 -0.01 -0.26 -0.69 0.41 0.00 0.00 173.24 172.70 1wi6 s VAL 133 N 1.43 2.04 0.15 3.43 1.01 -1.26 0.25 120.40 127.45 1wi6 s VAL 133 Ca 0.05 -1.21 -0.17 0.00 0.00 0.00 0.00 61.98 60.65 1wi6 s VAL 133 Cb -0.15 -1.71 0.04 0.00 0.00 0.00 0.00 36.38 34.56 1wi6 s VAL 133 CO 0.02 0.47 0.46 0.00 0.00 0.00 0.00 175.10 176.05 1wi6 s GLN 134 N -0.88 1.19 0.39 2.72 -2.07 -0.46 -4.87 119.66 115.68 1wi6 s GLN 134 Ca 0.10 -0.72 -0.26 0.00 -1.82 0.00 0.00 55.36 52.66 1wi6 s GLN 134 Cb -0.10 0.50 -0.09 0.00 -1.09 0.00 0.00 33.01 32.23 1wi6 s GLN 134 CO 0.00 -0.48 1.27 -0.51 -1.32 0.00 0.00 175.29 174.25 1wi6 s LEU 135 N -2.82 4.26 0.22 2.60 1.43 -1.26 -0.89 118.68 122.21 1wi6 s LEU 135 Ca 0.05 2.59 -0.30 0.00 -1.03 0.00 0.00 54.13 55.43 1wi6 s LEU 135 Cb 0.01 -3.88 -0.08 0.00 0.03 0.00 0.00 46.19 42.27 1wi6 s LEU 135 CO -0.10 -0.74 0.99 -1.58 0.23 0.00 0.00 176.35 175.16 1wi6 s GLN 136 N -2.15 4.76 0.43 1.70 0.74 -0.87 -4.71 119.66 119.55 1wi6 s GLN 136 Ca 0.55 1.57 -0.24 0.00 0.05 0.00 0.00 55.36 57.29 1wi6 s GLN 136 Cb -0.37 -3.28 -0.08 0.00 1.10 0.00 0.00 33.01 30.38 1wi6 s GLN 136 CO 0.47 0.35 1.18 -1.25 -0.55 0.00 0.00 175.29 175.49 1wi6 s PRO 137 N -0.91 3.92 0.39 1.67 0.04 -1.26 -4.87 135.00 133.99 1wi6 s PRO 137 Ca 0.44 1.83 0.24 0.00 0.04 0.00 0.00 61.00 63.55 1wi6 s PRO 137 Cb -0.27 -2.57 1.37 0.00 0.04 0.00 0.00 34.50 33.07 1wi6 s PRO 137 CO 0.34 -0.43 1.59 1.15 0.04 0.00 0.00 177.00 179.68 1wi6 h THR 138 N 2.14 0.03 -3.25 1.26 2.02 -1.95 -3.33 112.91 109.84 1wi6 h THR 138 Ca -0.49 -0.01 -0.48 0.00 0.77 0.00 0.00 66.41 66.20 1wi6 h THR 138 Cb 1.24 -0.00 -0.38 0.00 -1.74 0.00 0.00 68.15 67.26 1wi6 h THR 138 CO 0.61 0.01 -0.77 -0.62 0.37 0.00 0.00 175.52 175.12 1wi6 s ASP 139 N -4.49 2.09 -0.09 4.18 -1.08 -1.26 -5.00 116.67 111.02 1wi6 s ASP 139 Ca -0.09 -0.35 -0.03 0.00 -0.52 0.00 0.00 52.55 51.57 1wi6 s ASP 139 Cb 0.33 -0.55 -0.04 0.00 -1.46 0.00 0.00 42.92 41.19 1wi6 s ASP 139 CO 0.79 -0.22 -0.10 0.00 0.52 0.00 0.00 175.17 176.16 1wi6 n ALA 140 N 5.08 2.26 -1.57 3.66 0.00 -1.25 -5.02 120.51 123.67 1wi6 n ALA 140 Ca -0.08 -0.35 -0.52 0.00 0.00 0.00 0.00 53.44 52.49 1wi6 n ALA 140 Cb 0.49 0.36 -0.05 0.00 0.00 0.00 0.00 19.45 20.25 1wi6 n ALA 140 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wi6 n LEU 141 N -3.22 1.38 -2.32 0.00 4.77 -1.26 -4.85 117.00 111.50 1wi6 n LEU 141 Ca -0.17 1.13 -0.31 0.00 -0.03 0.00 0.00 56.01 56.63 1wi6 n LEU 141 Cb 0.63 -1.17 0.06 0.00 -2.33 0.00 0.00 43.42 40.61 1wi6 n LEU 141 CO 0.03 -1.26 1.43 0.18 -1.33 0.00 0.00 177.39 176.44 1wi6 n LEU 142 N 2.24 7.34 -3.91 2.23 4.77 -1.26 -4.78 117.00 123.64 1wi6 n LEU 142 Ca 0.17 -4.13 -0.29 0.00 -0.03 0.00 0.00 56.01 51.73 1wi6 n LEU 142 Cb 0.20 -1.02 -0.13 0.00 -2.33 0.00 0.00 43.42 40.13 1wi6 n LEU 142 CO 0.62 1.47 -0.15 0.00 -1.33 0.00 0.00 177.39 178.00 1wi6 n SER 144 N 2.82 2.63 0.00 0.00 7.64 -1.26 -4.95 113.62 120.50 1wi6 n SER 144 Ca 0.10 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1wi6 n SER 144 Cb 0.33 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 1wi6 n SER 144 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi6 n GLY 145 N 2.14 0.60 3.77 0.23 0.00 -1.26 -5.15 105.19 105.51 1wi6 n GLY 145 Ca 0.12 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.00 4.29 -0.20 1.61 0.04 -1.26 -5.05 135.00 132.43 1wi6 s PRO 146 Ca 0.00 1.98 -0.10 0.00 0.04 0.00 0.00 61.00 62.92 1wi6 s PRO 146 Cb 0.00 -2.94 0.07 0.00 0.04 0.00 0.00 34.50 31.67 1wi6 s PRO 146 CO 0.00 -0.16 0.47 0.45 0.04 0.00 0.00 177.00 177.80 1wi6 s SER 147 N -0.82 -0.58 0.04 6.66 0.15 -1.26 -5.15 113.70 112.74 1wi6 s SER 147 Ca 0.51 1.06 -0.21 0.00 0.70 0.00 0.00 55.95 58.01 1wi6 s SER 147 Cb -0.35 1.05 -0.06 0.00 -1.71 0.00 0.00 66.02 64.95 1wi6 s SER 147 CO 0.45 -0.21 0.62 -0.55 1.20 0.00 0.00 173.24 174.74 1wi6 s SER 148 N 1.71 7.06 0.00 5.45 0.15 -1.26 -5.34 113.70 121.47 1wi6 s SER 148 Ca -0.08 1.26 0.17 0.00 0.70 0.00 0.00 55.95 57.99 1wi6 s SER 148 Cb -0.08 -2.38 0.99 0.00 -1.71 0.00 0.00 66.02 62.83 1wi6 s SER 148 CO -0.14 0.16 1.40 0.61 1.20 0.00 0.00 173.24 176.46