#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 6.51 -0.41 1.61 1.04 -1.26 -5.00 113.70 116.19 1wi6 s SER 63 Ca 0.00 -2.09 -0.33 0.00 0.48 0.00 0.00 55.95 54.01 1wi6 s SER 63 Cb 0.00 -2.28 -0.11 0.00 0.10 0.00 0.00 66.02 63.73 1wi6 s SER 63 CO 0.00 -0.87 2.27 -0.24 0.98 0.00 0.00 173.24 175.38 1wi6 n SER 64 N 5.36 2.12 0.02 7.02 2.88 -1.26 -4.84 113.62 124.91 1wi6 n SER 64 Ca 0.06 0.23 -0.08 0.00 -1.33 0.00 0.00 58.87 57.76 1wi6 n SER 64 Cb 0.45 -1.31 -0.06 0.00 -0.75 0.00 0.00 64.21 62.54 1wi6 n SER 64 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1wi6 h GLY 65 N 13.71 -0.16 -2.17 0.46 0.00 -1.97 -3.46 103.07 109.48 1wi6 h GLY 65 Ca -0.26 0.06 -0.54 0.00 0.00 0.00 0.00 47.33 46.58 1wi6 h GLY 65 CO 1.06 -0.06 -0.48 -1.26 0.00 0.00 0.00 176.54 175.81 1wi6 n SER 66 N -4.85 -1.64 -4.73 0.19 2.88 -1.26 -4.73 113.62 99.48 1wi6 n SER 66 Ca -0.06 0.44 -0.41 0.00 -1.33 0.00 0.00 58.87 57.50 1wi6 n SER 66 Cb 0.23 -1.22 -0.03 0.00 -0.75 0.00 0.00 64.21 62.44 1wi6 n SER 66 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wi6 s SER 67 N -1.81 7.10 0.00 -3.46 1.04 -1.26 -4.93 113.70 110.39 1wi6 s SER 67 Ca 0.61 2.16 0.00 0.00 0.48 0.00 0.00 55.95 59.20 1wi6 s SER 67 Cb -0.27 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.26 1wi6 s SER 67 CO 0.63 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 175.08 1wi6 n GLY 68 N 2.46 2.61 3.10 7.32 0.00 -1.26 -4.58 105.19 114.84 1wi6 n GLY 68 Ca 0.05 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.77 0.43 -0.03 -0.61 -5.25 -1.02 -2.54 121.20 110.41 1wi6 s ILE 69 Ca 0.00 -1.63 -0.01 0.00 -0.99 0.00 0.00 60.65 58.02 1wi6 s ILE 69 Cb 0.00 -1.28 0.03 0.00 2.95 0.00 0.00 42.46 44.16 1wi6 s ILE 69 CO 0.00 -0.80 0.05 -0.22 -1.79 0.00 0.00 174.94 172.19 1wi6 s LEU 70 N -2.58 0.97 0.04 0.37 2.96 0.80 -3.67 118.68 117.57 1wi6 s LEU 70 Ca 0.03 0.09 0.07 0.00 -0.22 0.00 0.00 54.13 54.10 1wi6 s LEU 70 Cb 0.02 0.01 -0.03 0.00 0.50 0.00 0.00 46.19 46.69 1wi6 s LEU 70 CO -0.05 -0.14 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.02 1wi6 s ILE 71 N 1.14 2.75 -0.05 6.68 1.01 -1.13 -1.59 121.20 130.00 1wi6 s ILE 71 Ca -0.09 -1.19 0.03 0.00 0.00 0.00 0.00 60.65 59.40 1wi6 s ILE 71 Cb -0.13 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.20 1wi6 s ILE 71 CO -0.04 0.34 -0.12 -0.13 0.00 0.00 0.00 174.94 175.00 1wi6 s ARG 72 N -1.41 1.47 0.00 2.79 0.52 -0.68 -3.44 118.95 118.20 1wi6 s ARG 72 Ca 0.14 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 1wi6 s ARG 72 Cb -0.10 -1.26 0.00 0.00 0.52 0.00 0.00 34.95 34.10 1wi6 s ARG 72 CO 0.05 0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.85 1wi6 n GLY 73 N 3.61 -0.40 3.66 -3.53 0.00 -1.04 -3.19 105.19 104.30 1wi6 n GLY 73 Ca -0.21 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.49 3.35 1.13 0.99 1.43 -1.10 -4.89 118.68 119.11 1wi6 s LEU 74 Ca 0.00 -0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 52.71 1wi6 s LEU 74 Cb 0.00 -2.09 0.25 0.00 0.03 0.00 0.00 46.19 44.38 1wi6 s LEU 74 CO 0.00 0.18 1.10 -2.16 0.23 0.00 0.00 176.35 175.70 1wi6 s PRO 75 N -2.26 -0.63 0.44 1.29 0.04 -1.26 -4.93 135.00 127.70 1wi6 s PRO 75 Ca 0.24 0.15 0.27 0.00 0.04 0.00 0.00 61.00 61.70 1wi6 s PRO 75 Cb -0.12 -1.65 0.79 0.00 0.04 0.00 0.00 34.50 33.57 1wi6 s PRO 75 CO 0.17 -3.36 1.76 0.78 0.04 0.00 0.00 177.00 176.39 1wi6 h GLY 76 N -2.33 0.00 -2.19 0.56 0.00 -2.00 -2.95 103.07 94.15 1wi6 h GLY 76 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1wi6 h GLY 76 CO 0.43 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.31 1wi6 n ASP 77 N -2.94 3.32 -4.53 0.19 2.03 -1.26 -4.94 116.55 108.42 1wi6 n ASP 77 Ca 0.03 -1.99 -0.43 0.00 0.52 0.00 0.00 54.79 52.92 1wi6 n ASP 77 Cb 0.42 -0.18 -0.05 0.00 -0.72 0.00 0.00 41.12 40.59 1wi6 n ASP 77 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1wi6 n VAL 78 N 1.44 0.13 -4.59 5.18 3.14 -1.12 -4.93 118.33 117.58 1wi6 n VAL 78 Ca 0.18 -0.48 -0.28 0.00 -2.96 0.00 0.00 64.34 60.79 1wi6 n VAL 78 Cb 0.60 -2.22 -0.10 0.00 -1.06 0.00 0.00 33.84 31.06 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 9.45 1.94 0.46 1.55 -1.32 -1.26 -4.90 115.64 121.55 1wi6 s THR 79 Ca 1.05 -1.97 0.17 0.00 -1.21 0.00 0.00 61.69 59.73 1wi6 s THR 79 Cb -0.50 -2.91 0.35 0.00 -1.51 0.00 0.00 72.50 67.93 1wi6 s THR 79 CO 0.37 0.00 1.97 0.78 -2.21 0.00 0.00 174.62 175.53 1wi6 h ASN 80 N 1.69 0.28 -0.25 8.08 2.35 -1.95 0.27 115.58 126.06 1wi6 h ASN 80 Ca -0.44 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.27 1wi6 h ASN 80 Cb 1.25 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.55 1wi6 h ASN 80 CO 0.79 0.16 0.00 -0.61 -1.65 0.00 0.00 177.43 176.13 1wi6 h GLN 81 N 0.31 0.56 -0.28 0.81 5.75 -1.96 -0.18 115.11 120.11 1wi6 h GLN 81 Ca 0.29 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.64 1wi6 h GLN 81 Cb 0.73 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.19 1wi6 h GLN 81 CO -0.07 0.58 0.06 1.49 -2.65 0.00 0.00 178.83 178.24 1wi6 h GLU 82 N 0.53 0.45 -0.37 1.69 4.57 -1.30 0.42 114.58 120.57 1wi6 h GLU 82 Ca 0.11 -0.11 -0.17 0.00 -1.18 0.00 0.00 59.36 58.01 1wi6 h GLU 82 Cb 0.34 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1wi6 h GLU 82 CO 0.01 0.55 -0.42 -0.39 -1.18 0.00 0.00 179.01 177.58 1wi6 h VAL 83 N 0.28 1.27 -0.13 0.32 -1.51 -1.37 -2.35 116.25 112.76 1wi6 h VAL 83 Ca 0.09 -1.59 -0.01 0.00 -1.23 0.00 0.00 66.70 63.95 1wi6 h VAL 83 Cb 0.31 1.42 -0.01 0.00 -2.13 0.00 0.00 31.29 30.88 1wi6 h VAL 83 CO 0.00 0.53 0.03 0.45 -1.23 0.00 0.00 177.57 177.36 1wi6 h HIS 84 N 0.75 0.22 -0.38 5.19 3.86 -0.96 -1.78 115.15 122.06 1wi6 h HIS 84 Ca 0.05 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1wi6 h HIS 84 Cb 1.02 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.41 1wi6 h HIS 84 CO 0.07 0.36 0.20 0.22 0.86 0.00 0.00 177.93 179.63 1wi6 h ASP 85 N 0.01 0.45 0.40 2.45 3.58 -0.93 1.11 116.42 123.49 1wi6 h ASP 85 Ca 0.04 -0.03 -0.13 0.00 0.42 0.00 0.00 57.03 57.33 1wi6 h ASP 85 Cb 0.26 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1wi6 h ASP 85 CO 0.00 0.38 -0.55 0.25 -2.88 0.00 0.00 179.24 176.43 1wi6 h LEU 86 N 0.52 0.18 -3.08 2.28 5.85 -1.17 -3.17 115.31 116.72 1wi6 h LEU 86 Ca 0.13 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1wi6 h LEU 86 Cb 0.03 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1wi6 h LEU 86 CO -0.02 0.70 -0.36 0.18 -0.34 0.00 0.00 178.44 178.60 1wi6 n LEU 87 N -3.90 2.98 -0.33 2.25 4.77 -0.66 -4.68 117.00 117.43 1wi6 n LEU 87 Ca -0.02 -3.80 0.02 0.00 -0.03 0.00 0.00 56.01 52.18 1wi6 n LEU 87 Cb 0.58 -0.54 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1wi6 n LEU 87 CO 0.43 1.30 0.50 -1.20 -1.33 0.00 0.00 177.39 177.10 1wi6 n SER 88 N -1.14 0.88 -0.03 -1.43 7.64 0.37 -3.22 113.62 116.70 1wi6 n SER 88 Ca 0.22 -2.03 0.03 0.00 1.01 0.00 0.00 58.87 58.09 1wi6 n SER 88 Cb 0.76 -0.18 -0.13 0.00 -1.01 0.00 0.00 64.21 63.65 1wi6 n SER 88 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1wi6 n ASP 89 N -0.10 1.01 -3.41 6.43 9.92 -1.26 -5.01 116.55 124.13 1wi6 n ASP 89 Ca 0.04 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.18 1wi6 n ASP 89 Cb 0.17 1.48 0.01 0.00 -0.64 0.00 0.00 41.12 42.13 1wi6 n ASP 89 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1wi6 n TYR 90 N -2.28 -1.31 -2.90 1.24 4.02 -1.20 -5.07 117.16 109.66 1wi6 n TYR 90 Ca -0.11 -1.14 -0.43 0.00 -0.01 0.00 0.00 57.90 56.21 1wi6 n TYR 90 Cb 0.66 -0.23 -0.05 0.00 -0.02 0.00 0.00 39.34 39.70 1wi6 n TYR 90 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1wi6 s GLU 91 N -3.15 3.41 -0.74 -0.72 2.02 -1.26 -5.00 118.70 113.26 1wi6 s GLU 91 Ca 0.18 -0.11 -0.20 0.00 0.02 0.00 0.00 54.97 54.86 1wi6 s GLU 91 Cb -0.01 -3.97 0.10 0.00 0.10 0.00 0.00 34.13 30.35 1wi6 s GLU 91 CO 0.11 -1.25 0.95 -0.51 0.02 0.00 0.00 175.26 174.59 1wi6 s LEU 92 N 3.56 4.93 0.08 1.80 1.43 -1.26 -3.71 118.68 125.50 1wi6 s LEU 92 Ca 0.31 -1.52 -0.09 0.00 -1.03 0.00 0.00 54.13 51.81 1wi6 s LEU 92 Cb -0.12 -2.38 -0.24 0.00 0.03 0.00 0.00 46.19 43.48 1wi6 s LEU 92 CO 0.22 -1.21 1.16 0.11 0.23 0.00 0.00 176.35 176.86 1wi6 h LYS 93 N 9.17 0.46 -3.42 1.70 1.79 -1.88 -3.45 116.57 120.93 1wi6 h LYS 93 Ca -0.12 -0.63 -0.26 0.00 -2.18 0.00 0.00 60.65 57.46 1wi6 h LYS 93 Cb 1.06 0.21 -0.32 0.00 -1.58 0.00 0.00 32.23 31.61 1wi6 h LYS 93 CO 1.12 1.27 -0.66 -0.47 -1.08 0.00 0.00 179.45 179.63 1wi6 s TYR 94 N -2.93 -0.07 -0.09 -1.35 5.04 -1.18 -5.03 117.35 111.74 1wi6 s TYR 94 Ca -0.07 0.28 0.02 0.00 -2.44 0.00 0.00 57.07 54.87 1wi6 s TYR 94 Cb 0.07 -0.12 0.01 0.00 0.35 0.00 0.00 41.96 42.27 1wi6 s TYR 94 CO 0.90 -0.11 -0.16 0.00 -1.34 0.00 0.00 175.55 174.85 1wi6 s PHE 96 N 0.69 -0.06 -0.19 0.00 5.36 -0.79 -5.04 117.98 117.95 1wi6 s PHE 96 Ca -0.13 0.42 0.00 0.00 -0.96 0.00 0.00 56.93 56.26 1wi6 s PHE 96 Cb -0.16 -0.36 0.02 0.00 -0.34 0.00 0.00 43.02 42.18 1wi6 s PHE 96 CO 0.03 -0.22 -0.16 0.08 -1.46 0.00 0.00 175.22 173.49 1wi6 s VAL 97 N 2.14 2.30 -0.32 3.12 1.01 -1.26 -1.44 120.40 125.95 1wi6 s VAL 97 Ca 0.03 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 1wi6 s VAL 97 Cb -0.12 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.30 1wi6 s VAL 97 CO -0.04 0.47 0.03 1.51 0.00 0.00 0.00 175.10 177.07 1wi6 s ASP 98 N 1.31 4.98 0.04 3.32 1.47 -0.73 -4.96 116.67 122.11 1wi6 s ASP 98 Ca 0.04 -1.34 -0.02 0.00 1.18 0.00 0.00 52.55 52.41 1wi6 s ASP 98 Cb -0.14 -1.74 -0.27 0.00 -0.34 0.00 0.00 42.92 40.43 1wi6 s ASP 98 CO -0.11 -0.30 1.01 0.07 0.68 0.00 0.00 175.17 176.53 1wi6 h LYS 99 N 8.03 0.22 -0.03 2.11 2.10 -1.91 -1.42 116.57 125.67 1wi6 h LYS 99 Ca -0.20 -0.38 0.01 0.00 -2.00 0.00 0.00 60.65 58.08 1wi6 h LYS 99 Cb 1.06 0.14 -0.03 0.00 -0.90 0.00 0.00 32.23 32.50 1wi6 h LYS 99 CO 0.56 1.12 -0.28 1.88 -2.00 0.00 0.00 179.45 180.73 1wi6 h TYR 100 N 0.06 -0.81 -0.01 0.07 0.05 -1.93 -2.20 116.97 112.19 1wi6 h TYR 100 Ca -0.17 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.54 1wi6 h TYR 100 Cb 1.97 0.36 -0.01 0.00 1.01 0.00 0.00 36.73 40.06 1wi6 h TYR 100 CO 0.05 -0.29 -0.45 0.87 -1.05 0.00 0.00 178.16 177.29 1wi6 h LYS 101 N -0.32 0.03 -0.11 4.88 1.79 -2.01 -3.47 116.57 117.35 1wi6 h LYS 101 Ca 0.01 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1wi6 h LYS 101 Cb 0.36 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1wi6 h LYS 101 CO -0.20 0.48 0.00 0.41 -1.08 0.00 0.00 179.45 179.06 1wi6 n GLY 102 N -0.21 1.27 3.27 3.86 0.00 -0.83 -4.92 105.19 107.63 1wi6 n GLY 102 Ca -0.02 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.11 0.21 -0.02 2.61 -4.23 -0.56 -2.49 115.64 109.04 1wi6 s THR 103 Ca 0.00 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1wi6 s THR 103 Cb 0.00 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 71.33 1wi6 s THR 103 CO 0.00 0.00 0.04 0.00 -0.54 0.00 0.00 174.62 174.12 1wi6 s ALA 104 N -3.87 0.07 -0.17 3.99 0.00 -1.22 -1.77 121.76 118.78 1wi6 s ALA 104 Ca 0.38 0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.66 1wi6 s ALA 104 Cb 0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 1wi6 s ALA 104 CO 0.15 -0.13 -0.13 -0.06 0.00 0.00 0.00 175.76 175.59 1wi6 s PHE 105 N 1.12 2.82 0.01 0.00 0.08 -0.52 -2.84 117.98 118.65 1wi6 s PHE 105 Ca -0.09 -1.05 0.03 0.00 0.12 0.00 0.00 56.93 55.95 1wi6 s PHE 105 Cb -0.13 -1.93 -0.01 0.00 -0.57 0.00 0.00 43.02 40.38 1wi6 s PHE 105 CO -0.03 -0.50 -0.10 0.08 -0.10 0.00 0.00 175.22 174.57 1wi6 s VAL 106 N 0.95 0.77 -0.26 -0.44 1.01 -1.24 -1.89 120.40 119.30 1wi6 s VAL 106 Ca -0.02 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1wi6 s VAL 106 Cb -0.15 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.57 1wi6 s VAL 106 CO -0.02 0.07 -0.02 -0.89 0.00 0.00 0.00 175.10 174.25 1wi6 s THR 107 N -0.51 3.22 0.78 3.92 2.01 -0.94 -2.42 115.64 121.70 1wi6 s THR 107 Ca 0.01 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 61.08 1wi6 s THR 107 Cb -0.05 -2.63 0.14 0.00 0.01 0.00 0.00 72.50 69.97 1wi6 s THR 107 CO 0.00 0.19 1.08 -0.76 -0.69 0.00 0.00 174.62 174.44 1wi6 s LEU 108 N 1.39 2.90 0.00 4.42 1.43 -1.26 -3.10 118.68 124.45 1wi6 s LEU 108 Ca 0.01 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1wi6 s LEU 108 Cb -0.17 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.82 1wi6 s LEU 108 CO -0.02 -2.05 0.42 -0.11 0.23 0.00 0.00 176.35 174.81 1wi6 n LEU 109 N -3.09 0.34 -4.99 1.79 7.94 -1.24 -4.79 117.00 112.97 1wi6 n LEU 109 Ca 0.14 0.63 -0.23 0.00 -1.11 0.00 0.00 56.01 55.44 1wi6 n LEU 109 Cb 0.60 -0.39 0.04 0.00 0.53 0.00 0.00 43.42 44.20 1wi6 n LEU 109 CO 0.45 -0.39 0.25 0.54 -1.11 0.00 0.00 177.39 177.12 1wi6 s ASN 110 N -2.31 4.86 0.37 1.96 2.20 -1.26 -4.77 114.94 115.99 1wi6 s ASN 110 Ca 0.00 -1.06 0.21 0.00 -0.94 0.00 0.00 52.86 51.06 1wi6 s ASN 110 Cb 0.00 0.47 0.23 0.00 -2.00 0.00 0.00 41.25 39.95 1wi6 s ASN 110 CO 0.00 -1.32 1.50 1.23 -2.94 0.00 0.00 177.10 175.58 1wi6 h GLY 111 N 0.35 0.00 0.99 0.45 0.00 -1.92 -3.29 103.07 99.65 1wi6 h GLY 111 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1wi6 h GLY 111 CO 0.47 0.00 0.20 0.83 0.00 0.00 0.00 176.54 178.04 1wi6 h GLU 112 N 0.00 0.40 -0.59 4.80 5.08 -1.95 -0.74 114.58 121.58 1wi6 h GLU 112 Ca -0.01 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1wi6 h GLU 112 Cb 1.11 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 1wi6 h GLU 112 CO 0.02 0.27 -0.03 1.96 -1.00 0.00 0.00 179.01 180.23 1wi6 h GLN 113 N 0.41 1.06 -0.29 2.33 4.20 -1.99 -0.94 115.11 119.89 1wi6 h GLN 113 Ca 0.12 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 1wi6 h GLN 113 Cb -0.04 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1wi6 h GLN 113 CO -0.03 1.05 0.18 0.00 -0.67 0.00 0.00 178.83 179.36 1wi6 h ALA 114 N 0.99 0.37 -0.36 3.87 0.00 -1.55 0.28 119.26 122.86 1wi6 h ALA 114 Ca 0.17 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1wi6 h ALA 114 Cb 0.59 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1wi6 h ALA 114 CO 0.04 -0.13 -0.08 1.49 0.00 0.00 0.00 179.25 180.56 1wi6 h GLU 115 N 0.37 0.70 -0.38 0.00 4.81 -1.06 -1.43 114.58 117.59 1wi6 h GLU 115 Ca 0.10 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1wi6 h GLU 115 Cb 0.01 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1wi6 h GLU 115 CO -0.02 0.85 0.25 0.00 -0.73 0.00 0.00 179.01 179.35 1wi6 h ALA 116 N 0.83 0.49 -0.43 2.92 0.00 -0.99 0.31 119.26 122.38 1wi6 h ALA 116 Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1wi6 h ALA 116 Cb 0.58 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1wi6 h ALA 116 CO 0.03 -0.04 0.10 0.00 0.00 0.00 0.00 179.25 179.34 1wi6 h ALA 117 N 1.13 0.56 -0.58 0.00 0.00 -0.90 -2.74 119.26 116.73 1wi6 h ALA 117 Ca 0.14 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1wi6 h ALA 117 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1wi6 h ALA 117 CO -0.03 0.25 -0.05 0.82 0.00 0.00 0.00 179.25 180.24 1wi6 h ILE 118 N 0.56 1.27 -0.56 0.00 2.04 -1.02 0.27 117.51 120.06 1wi6 h ILE 118 Ca 0.13 -1.21 0.07 0.00 1.00 0.00 0.00 64.86 64.86 1wi6 h ILE 118 Cb 0.32 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 1wi6 h ILE 118 CO 0.00 0.43 0.23 -1.13 0.00 0.00 0.00 178.15 177.69 1wi6 h ASN 119 N 0.95 0.27 0.02 1.72 -0.73 -0.26 0.85 115.58 118.41 1wi6 h ASN 119 Ca 0.16 0.06 -0.03 0.00 1.87 0.00 0.00 56.30 58.35 1wi6 h ASN 119 Cb 0.62 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.23 1wi6 h ASN 119 CO 0.04 0.18 -0.15 0.74 -0.37 0.00 0.00 177.43 177.87 1wi6 h THR 120 N 0.44 1.73 0.00 -3.57 2.02 -1.38 -3.29 112.91 108.86 1wi6 h THR 120 Ca 0.27 -2.34 -0.00 0.00 0.77 0.00 0.00 66.41 65.11 1wi6 h THR 120 Cb 0.28 3.32 -0.00 0.00 -1.74 0.00 0.00 68.15 70.00 1wi6 h THR 120 CO -0.25 0.62 -0.01 -0.26 0.37 0.00 0.00 175.52 176.00 1wi6 h PHE 121 N -0.87 0.00 -4.28 3.16 0.04 -0.35 -3.41 116.94 111.24 1wi6 h PHE 121 Ca -0.02 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.23 1wi6 h PHE 121 Cb 1.10 0.00 0.13 0.00 2.20 0.00 0.00 35.95 39.38 1wi6 h PHE 121 CO 0.26 0.01 0.32 -1.58 -0.60 0.00 0.00 178.31 176.72 1wi6 s HIS 122 N -4.79 2.47 -0.56 -0.55 5.65 0.29 -2.99 115.29 114.81 1wi6 s HIS 122 Ca -0.05 1.58 0.00 0.00 0.25 0.00 0.00 55.06 56.84 1wi6 s HIS 122 Cb 0.16 -3.12 0.00 0.00 -1.18 0.00 0.00 32.58 28.44 1wi6 s HIS 122 CO 0.60 -1.90 0.00 0.00 -0.65 0.00 0.00 174.74 172.79 1wi6 n GLN 123 N -3.31 -2.26 -2.86 2.88 10.64 -1.26 -4.90 117.38 116.32 1wi6 n GLN 123 Ca 0.10 0.32 -0.20 0.00 -1.83 0.00 0.00 57.00 55.39 1wi6 n GLN 123 Cb 0.53 -4.76 0.04 0.00 -0.86 0.00 0.00 30.24 25.19 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 -1.90 5.25 0.02 2.61 1.04 -1.16 -5.00 113.70 114.56 1wi6 s SER 124 Ca 0.00 -0.40 -0.01 0.00 0.48 0.00 0.00 55.95 56.02 1wi6 s SER 124 Cb 0.00 -0.42 -0.02 0.00 0.10 0.00 0.00 66.02 65.69 1wi6 s SER 124 CO 0.00 -1.15 -0.01 -0.13 0.98 0.00 0.00 173.24 172.94 1wi6 s ARG 125 N -4.64 0.32 -0.00 4.02 0.52 -1.26 -1.95 118.95 115.95 1wi6 s ARG 125 Ca 0.59 -0.55 -0.03 0.00 -0.52 0.00 0.00 55.73 55.21 1wi6 s ARG 125 Cb -0.08 0.12 -0.00 0.00 0.52 0.00 0.00 34.95 35.50 1wi6 s ARG 125 CO 0.37 -0.06 0.06 -1.17 0.02 0.00 0.00 175.30 174.53 1wi6 s LEU 126 N -1.38 1.84 -1.56 2.53 2.96 0.45 -4.86 118.68 118.66 1wi6 s LEU 126 Ca -0.15 -0.15 -0.20 0.00 -0.22 0.00 0.00 54.13 53.41 1wi6 s LEU 126 Cb -0.09 0.32 0.20 0.00 0.50 0.00 0.00 46.19 47.12 1wi6 s LEU 126 CO -0.01 -0.21 0.49 0.54 -1.32 0.00 0.00 176.35 175.85 1wi6 n ARG 127 N 2.15 -0.96 -3.16 1.98 5.12 -1.26 0.18 116.66 120.71 1wi6 n ARG 127 Ca -0.19 0.12 -0.15 0.00 -1.93 0.00 0.00 57.85 55.70 1wi6 n ARG 127 Cb 0.57 -4.35 0.06 0.00 -1.16 0.00 0.00 32.46 27.58 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 -3.63 -5.25 -3.86 5.56 -0.58 -1.26 -5.03 120.64 106.58 1wi6 n GLU 128 Ca 0.10 0.60 -0.11 0.00 -0.42 0.00 0.00 57.16 57.32 1wi6 n GLU 128 Cb 0.42 -4.92 -0.11 0.00 -0.57 0.00 0.00 31.44 26.27 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 -5.47 0.35 -0.15 3.49 1.04 0.47 -5.13 118.95 113.54 1wi6 s ARG 129 Ca 0.22 -0.19 -0.28 0.00 -1.04 0.00 0.00 55.73 54.43 1wi6 s ARG 129 Cb -0.10 0.15 -0.01 0.00 -2.04 0.00 0.00 34.95 32.96 1wi6 s ARG 129 CO 0.52 -0.07 0.97 -2.00 -0.04 0.00 0.00 175.30 174.68 1wi6 s GLU 130 N -0.84 4.35 -0.16 3.89 -6.30 -1.26 -0.41 118.70 117.97 1wi6 s GLU 130 Ca -0.09 1.28 -0.06 0.00 -2.50 0.00 0.00 54.97 53.60 1wi6 s GLU 130 Cb -0.05 -3.57 -0.04 0.00 0.00 0.00 0.00 34.13 30.46 1wi6 s GLU 130 CO 0.01 -0.39 0.06 -0.51 0.02 0.00 0.00 175.26 174.44 1wi6 s LEU 131 N 2.33 3.82 -0.23 2.70 1.43 -0.82 -4.94 118.68 122.97 1wi6 s LEU 131 Ca 0.45 0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 53.60 1wi6 s LEU 131 Cb -0.17 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 1wi6 s LEU 131 CO 0.14 0.24 0.07 -0.44 0.23 0.00 0.00 176.35 176.59 1wi6 s SER 132 N -0.03 5.30 -0.06 2.29 0.01 -1.19 -4.05 113.70 115.96 1wi6 s SER 132 Ca 0.06 -0.12 0.06 0.00 1.31 0.00 0.00 55.95 57.25 1wi6 s SER 132 Cb -0.12 -1.94 -0.01 0.00 0.21 0.00 0.00 66.02 64.15 1wi6 s SER 132 CO 0.01 0.02 -0.24 -0.69 0.41 0.00 0.00 173.24 172.75 1wi6 s VAL 133 N 1.30 2.15 0.09 3.43 1.01 -1.26 -1.69 120.40 125.43 1wi6 s VAL 133 Ca 0.05 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 60.85 1wi6 s VAL 133 Cb -0.15 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.48 1wi6 s VAL 133 CO 0.04 0.57 0.35 0.00 0.00 0.00 0.00 175.10 176.06 1wi6 s GLN 134 N -0.21 0.96 0.44 2.72 -2.07 -0.62 -4.85 119.66 116.03 1wi6 s GLN 134 Ca -0.02 -0.67 -0.25 0.00 -1.82 0.00 0.00 55.36 52.60 1wi6 s GLN 134 Cb -0.13 0.42 -0.08 0.00 -1.09 0.00 0.00 33.01 32.12 1wi6 s GLN 134 CO 0.03 -0.35 1.39 -0.51 -1.32 0.00 0.00 175.29 174.54 1wi6 s LEU 135 N -2.57 4.13 0.35 2.60 1.43 -1.26 -0.14 118.68 123.21 1wi6 s LEU 135 Ca 0.01 2.85 -0.24 0.00 -1.03 0.00 0.00 54.13 55.71 1wi6 s LEU 135 Cb 0.02 -3.94 -0.14 0.00 0.03 0.00 0.00 46.19 42.16 1wi6 s LEU 135 CO -0.09 -1.10 0.51 0.00 0.23 0.00 0.00 176.35 175.90 1wi6 n GLN 136 N -0.13 0.43 -2.04 1.70 10.64 -1.05 -4.59 117.38 122.33 1wi6 n GLN 136 Ca 0.05 0.15 -0.34 0.00 -1.83 0.00 0.00 57.00 55.03 1wi6 n GLN 136 Cb 0.42 -1.33 -0.04 0.00 -0.86 0.00 0.00 30.24 28.43 1wi6 n GLN 136 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1wi6 s PRO 137 N -1.33 2.60 0.48 2.61 0.04 -1.26 -4.91 135.00 133.24 1wi6 s PRO 137 Ca 0.62 0.27 -0.16 0.00 0.04 0.00 0.00 61.00 61.77 1wi6 s PRO 137 Cb -0.70 -4.64 -0.13 0.00 0.04 0.00 0.00 34.50 29.07 1wi6 s PRO 137 CO 0.59 -2.97 -0.16 0.25 0.04 0.00 0.00 177.00 174.75 1wi6 n THR 138 N 7.46 0.00 -3.73 1.26 -2.24 -1.26 -2.40 114.28 113.36 1wi6 n THR 138 Ca 0.28 -0.44 -0.22 0.00 -2.27 0.00 0.00 64.05 61.39 1wi6 n THR 138 Cb 0.50 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.76 1wi6 n THR 138 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wi6 n ASP 139 N 2.29 -1.23 -4.55 3.42 8.00 -1.26 -4.86 116.55 118.35 1wi6 n ASP 139 Ca 0.06 -0.86 -0.42 0.00 0.71 0.00 0.00 54.79 54.29 1wi6 n ASP 139 Cb 0.42 -3.89 -0.02 0.00 -0.02 0.00 0.00 41.12 37.61 1wi6 n ASP 139 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wi6 s ALA 140 N -3.71 2.98 0.32 2.24 0.00 -1.01 -4.96 121.76 117.63 1wi6 s ALA 140 Ca 0.02 -2.53 0.09 0.00 0.00 0.00 0.00 51.96 49.55 1wi6 s ALA 140 Cb -0.01 -4.51 -0.06 0.00 0.00 0.00 0.00 23.12 18.54 1wi6 s ALA 140 CO 0.82 -3.45 -0.10 -0.51 0.00 0.00 0.00 175.76 172.53 1wi6 s LEU 141 N 4.46 2.66 0.09 0.00 1.43 -1.26 -5.06 118.68 121.00 1wi6 s LEU 141 Ca 0.47 -1.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.10 1wi6 s LEU 141 Cb 0.01 -0.93 -0.13 0.00 0.03 0.00 0.00 46.19 45.16 1wi6 s LEU 141 CO -0.05 -0.20 1.63 -0.07 0.23 0.00 0.00 176.35 177.90 1wi6 h LEU 142 N 2.11 -0.78 -9.46 1.79 3.38 -2.05 -3.42 115.31 106.88 1wi6 h LEU 142 Ca -0.41 0.07 -0.67 0.00 0.09 0.00 0.00 57.88 56.95 1wi6 h LEU 142 Cb 1.25 0.26 -0.11 0.00 0.09 0.00 0.00 40.66 42.14 1wi6 h LEU 142 CO 0.68 -0.43 -0.58 0.00 0.09 0.00 0.00 178.44 178.21 1wi6 s SER 144 N -1.23 -0.31 0.00 0.00 0.15 -1.26 -5.11 113.70 105.95 1wi6 s SER 144 Ca 0.17 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.36 1wi6 s SER 144 Cb -0.12 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1wi6 s SER 144 CO 0.07 -1.21 0.00 0.61 1.20 0.00 0.00 173.24 173.91 1wi6 n GLY 145 N -0.44 -1.52 3.67 9.45 0.00 -1.26 -5.17 105.19 109.92 1wi6 n GLY 145 Ca -0.07 0.82 -0.29 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 0.38 0.11 1.61 0.04 -1.26 -5.07 135.00 130.82 1wi6 s PRO 146 Ca 0.00 0.51 0.09 0.00 0.04 0.00 0.00 61.00 61.64 1wi6 s PRO 146 Cb 0.00 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 1wi6 s PRO 146 CO 0.00 -2.76 -0.18 -1.12 0.04 0.00 0.00 177.00 172.98 1wi6 s SER 147 N -3.45 3.86 -0.25 6.66 0.01 -1.26 -5.06 113.70 114.21 1wi6 s SER 147 Ca 0.65 -0.55 -0.35 0.00 1.31 0.00 0.00 55.95 57.01 1wi6 s SER 147 Cb -0.19 -0.54 -0.12 0.00 0.21 0.00 0.00 66.02 65.39 1wi6 s SER 147 CO 0.58 0.18 2.04 -1.20 0.41 0.00 0.00 173.24 175.25 1wi6 n SER 148 N 0.86 2.65 0.00 2.44 7.64 -1.26 -5.38 113.62 120.57 1wi6 n SER 148 Ca -0.16 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1wi6 n SER 148 Cb 0.53 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 1wi6 n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64