#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 5.94 -0.89 1.61 1.04 -1.26 -5.04 113.70 115.10 1wi6 s SER 63 Ca 0.00 0.58 -0.06 0.00 0.48 0.00 0.00 55.95 56.94 1wi6 s SER 63 Cb 0.00 -1.82 0.22 0.00 0.10 0.00 0.00 66.02 64.52 1wi6 s SER 63 CO 0.00 -0.71 0.80 -0.55 0.98 0.00 0.00 173.24 173.76 1wi6 s SER 64 N -4.19 6.35 0.00 7.02 0.15 -1.26 -4.98 113.70 116.79 1wi6 s SER 64 Ca 0.48 -3.34 0.00 0.00 0.70 0.00 0.00 55.95 53.80 1wi6 s SER 64 Cb -0.10 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1wi6 s SER 64 CO 0.41 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1wi6 n GLY 65 N 2.95 -0.94 3.38 9.45 0.00 -1.26 -5.18 105.19 113.58 1wi6 n GLY 65 Ca 0.18 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 1wi6 n GLY 65 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wi6 s SER 66 N -4.00 -0.17 -0.08 1.61 0.15 -1.26 -5.07 113.70 104.87 1wi6 s SER 66 Ca 0.00 -0.48 -0.26 0.00 0.70 0.00 0.00 55.95 55.91 1wi6 s SER 66 Cb 0.00 0.49 -0.26 0.00 -1.71 0.00 0.00 66.02 64.54 1wi6 s SER 66 CO 0.00 -0.92 0.90 0.77 1.20 0.00 0.00 173.24 175.19 1wi6 h SER 67 N 2.36 0.19 -2.31 5.45 4.64 -1.90 -3.45 113.55 118.53 1wi6 h SER 67 Ca -0.32 -0.90 -0.60 0.00 -0.47 0.00 0.00 61.79 59.50 1wi6 h SER 67 Cb 1.25 -0.06 0.15 0.00 -0.31 0.00 0.00 62.40 63.43 1wi6 h SER 67 CO 0.44 1.06 -0.54 0.61 -0.87 0.00 0.00 176.83 177.54 1wi6 n GLY 68 N 1.38 -1.81 3.26 -0.77 0.00 -1.26 -4.27 105.19 101.73 1wi6 n GLY 68 Ca -0.11 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.58 0.78 -0.04 -0.61 -5.25 -0.87 -2.44 121.20 111.20 1wi6 s ILE 69 Ca 0.63 -2.00 -0.01 0.00 -0.99 0.00 0.00 60.65 58.28 1wi6 s ILE 69 Cb -0.58 -2.15 0.03 0.00 2.95 0.00 0.00 42.46 42.71 1wi6 s ILE 69 CO 0.59 -0.46 0.03 -0.22 -1.79 0.00 0.00 174.94 173.09 1wi6 s LEU 70 N -3.20 0.54 -0.18 0.37 2.96 -0.66 -3.71 118.68 114.79 1wi6 s LEU 70 Ca 0.24 0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 54.14 1wi6 s LEU 70 Cb 0.06 -0.21 -0.02 0.00 0.50 0.00 0.00 46.19 46.52 1wi6 s LEU 70 CO 0.05 -0.20 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.20 1wi6 s ILE 71 N 1.78 3.52 -0.11 6.68 1.01 -0.94 -2.33 121.20 130.81 1wi6 s ILE 71 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1wi6 s ILE 71 Cb -0.12 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 1wi6 s ILE 71 CO -0.03 0.46 -0.12 -0.13 0.00 0.00 0.00 174.94 175.12 1wi6 s ARG 72 N 0.92 3.18 0.00 2.79 0.52 0.72 -2.47 118.95 124.61 1wi6 s ARG 72 Ca -0.01 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.55 1wi6 s ARG 72 Cb -0.15 -2.61 0.00 0.00 0.52 0.00 0.00 34.95 32.72 1wi6 s ARG 72 CO 0.01 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.08 1wi6 n GLY 73 N 3.16 0.20 3.68 -3.53 0.00 -1.04 -2.35 105.19 105.31 1wi6 n GLY 73 Ca -0.18 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.51 3.41 0.83 0.99 1.43 -1.10 -4.86 118.68 118.87 1wi6 s LEU 74 Ca 0.00 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 1wi6 s LEU 74 Cb 0.00 -2.10 0.09 0.00 0.03 0.00 0.00 46.19 44.21 1wi6 s LEU 74 CO 0.00 0.13 1.09 -2.16 0.23 0.00 0.00 176.35 175.64 1wi6 s PRO 75 N -2.66 1.77 0.11 1.29 0.04 -1.26 -4.92 135.00 129.38 1wi6 s PRO 75 Ca 0.27 1.00 0.18 0.00 0.04 0.00 0.00 61.00 62.49 1wi6 s PRO 75 Cb -0.10 -1.85 0.75 0.00 0.04 0.00 0.00 34.50 33.33 1wi6 s PRO 75 CO 0.19 -1.93 1.55 0.41 0.04 0.00 0.00 177.00 177.25 1wi6 n GLY 76 N -1.17 -1.08 0.71 0.56 0.00 -1.26 -2.03 105.19 100.92 1wi6 n GLY 76 Ca 0.08 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.82 3.54 -4.62 1.61 8.00 -1.26 -5.00 116.55 117.00 1wi6 n ASP 77 Ca 0.03 -3.03 -0.43 0.00 0.71 0.00 0.00 54.79 52.07 1wi6 n ASP 77 Cb 0.18 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.74 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 -2.82 3.49 0.34 2.53 0.11 -0.86 -4.98 120.40 118.20 1wi6 s VAL 78 Ca 0.40 0.54 0.10 0.00 -2.93 0.00 0.00 61.98 60.08 1wi6 s VAL 78 Cb 0.33 -3.53 -0.06 0.00 -1.53 0.00 0.00 36.38 31.59 1wi6 s VAL 78 CO 0.08 -0.25 -0.10 0.28 -3.33 0.00 0.00 175.10 171.77 1wi6 s THR 79 N 5.89 2.28 0.40 5.04 -1.32 -1.26 -4.90 115.64 121.77 1wi6 s THR 79 Ca 0.79 -2.22 0.14 0.00 -1.21 0.00 0.00 61.69 59.18 1wi6 s THR 79 Cb -0.27 -2.61 0.35 0.00 -1.51 0.00 0.00 72.50 68.45 1wi6 s THR 79 CO 0.32 -0.22 1.90 -0.55 -2.21 0.00 0.00 174.62 173.86 1wi6 h ASN 80 N 2.04 0.48 -0.30 8.08 -1.07 -1.95 0.95 115.58 123.80 1wi6 h ASN 80 Ca -0.42 0.03 -0.02 0.00 0.07 0.00 0.00 56.30 55.96 1wi6 h ASN 80 Cb 1.25 -0.06 -0.02 0.00 -2.07 0.00 0.00 38.32 37.42 1wi6 h ASN 80 CO 0.69 0.24 0.12 -0.61 0.07 0.00 0.00 177.43 177.94 1wi6 h GLN 81 N 0.50 0.51 -0.30 4.14 5.75 -1.98 -0.47 115.11 123.26 1wi6 h GLN 81 Ca 0.40 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.81 1wi6 h GLN 81 Cb 0.84 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.28 1wi6 h GLN 81 CO -0.15 0.45 0.08 1.49 -2.65 0.00 0.00 178.83 178.05 1wi6 h GLU 82 N 0.51 0.47 -0.35 1.69 4.57 -1.19 -1.07 114.58 119.21 1wi6 h GLU 82 Ca 0.12 -0.11 -0.16 0.00 -1.18 0.00 0.00 59.36 58.04 1wi6 h GLU 82 Cb 0.14 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1wi6 h GLU 82 CO -0.01 0.53 -0.40 -0.39 -1.18 0.00 0.00 179.01 177.56 1wi6 h VAL 83 N 0.32 1.28 -0.39 0.32 -1.51 -1.36 -2.09 116.25 112.83 1wi6 h VAL 83 Ca 0.10 -1.58 -0.01 0.00 -1.23 0.00 0.00 66.70 63.97 1wi6 h VAL 83 Cb 0.26 1.44 -0.02 0.00 -2.13 0.00 0.00 31.29 30.84 1wi6 h VAL 83 CO -0.00 0.52 0.20 0.45 -1.23 0.00 0.00 177.57 177.51 1wi6 h HIS 84 N 0.70 0.54 -0.49 5.19 3.86 -0.99 -1.88 115.15 122.08 1wi6 h HIS 84 Ca 0.05 -0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.15 1wi6 h HIS 84 Cb 0.98 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 1wi6 h HIS 84 CO 0.06 0.43 -0.06 0.22 0.86 0.00 0.00 177.93 179.45 1wi6 h ASP 85 N 0.49 0.85 -0.76 2.45 3.58 -1.18 -0.13 116.42 121.73 1wi6 h ASP 85 Ca 0.13 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 1wi6 h ASP 85 Cb 0.08 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 1wi6 h ASP 85 CO -0.02 0.95 0.44 0.25 -2.88 0.00 0.00 179.24 177.98 1wi6 h LEU 86 N 0.79 0.92 -3.73 2.28 5.85 -1.08 -2.72 115.31 117.63 1wi6 h LEU 86 Ca 0.14 -0.08 -0.46 0.00 0.84 0.00 0.00 57.88 58.32 1wi6 h LEU 86 Cb 0.55 -0.23 -0.27 0.00 0.37 0.00 0.00 40.66 41.08 1wi6 h LEU 86 CO 0.03 0.73 0.13 0.18 -0.34 0.00 0.00 178.44 179.16 1wi6 n LEU 87 N -4.48 5.74 -0.30 2.25 4.77 -0.73 -4.64 117.00 119.62 1wi6 n LEU 87 Ca 0.07 -4.14 0.01 0.00 -0.03 0.00 0.00 56.01 51.91 1wi6 n LEU 87 Cb 0.07 -0.70 0.02 0.00 -2.33 0.00 0.00 43.42 40.48 1wi6 n LEU 87 CO 0.37 1.50 0.41 -1.20 -1.33 0.00 0.00 177.39 177.15 1wi6 n SER 88 N -0.97 0.68 -0.03 -1.43 7.64 -0.08 -3.05 113.62 116.39 1wi6 n SER 88 Ca 0.48 -2.02 0.02 0.00 1.01 0.00 0.00 58.87 58.36 1wi6 n SER 88 Cb 1.00 -0.24 -0.10 0.00 -1.01 0.00 0.00 64.21 63.87 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 -0.20 2.09 -4.89 6.43 9.92 -1.26 -5.03 116.55 123.60 1wi6 n ASP 89 Ca 0.01 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.02 1wi6 n ASP 89 Cb 0.15 1.28 -0.01 0.00 -0.64 0.00 0.00 41.12 41.90 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 -2.66 1.77 -0.48 1.24 1.51 -1.17 -5.08 117.35 112.49 1wi6 s TYR 90 Ca -0.05 -0.79 -0.26 0.00 -1.01 0.00 0.00 57.07 54.96 1wi6 s TYR 90 Cb 0.06 -1.95 0.03 0.00 -0.11 0.00 0.00 41.96 40.00 1wi6 s TYR 90 CO 0.51 -0.42 0.96 -1.21 -1.11 0.00 0.00 175.55 174.28 1wi6 s GLU 91 N -4.26 3.53 -0.85 -0.62 8.01 -1.26 -4.98 118.70 118.27 1wi6 s GLU 91 Ca 0.36 0.15 -0.20 0.00 0.01 0.00 0.00 54.97 55.29 1wi6 s GLU 91 Cb -0.02 -3.94 0.11 0.00 -4.31 0.00 0.00 34.13 25.96 1wi6 s GLU 91 CO 0.22 -1.29 1.10 -0.51 0.01 0.00 0.00 175.26 174.78 1wi6 s LEU 92 N 3.91 4.73 0.12 1.80 1.43 -1.26 -3.76 118.68 125.64 1wi6 s LEU 92 Ca 0.38 -1.66 -0.11 0.00 -1.03 0.00 0.00 54.13 51.71 1wi6 s LEU 92 Cb -0.10 -2.42 -0.09 0.00 0.03 0.00 0.00 46.19 43.61 1wi6 s LEU 92 CO 0.26 -1.22 1.37 0.11 0.23 0.00 0.00 176.35 177.11 1wi6 h LYS 93 N 9.15 0.80 -3.42 1.70 1.79 -1.84 -3.45 116.57 121.31 1wi6 h LYS 93 Ca 0.01 -0.57 -0.25 0.00 -2.18 0.00 0.00 60.65 57.66 1wi6 h LYS 93 Cb 1.04 0.09 -0.31 0.00 -1.58 0.00 0.00 32.23 31.47 1wi6 h LYS 93 CO 1.16 1.19 -0.64 -0.47 -1.08 0.00 0.00 179.45 179.61 1wi6 s TYR 94 N -3.93 -0.09 -0.09 -1.35 5.04 -1.09 -5.02 117.35 110.82 1wi6 s TYR 94 Ca -0.10 0.30 0.03 0.00 -2.44 0.00 0.00 57.07 54.86 1wi6 s TYR 94 Cb 0.10 -0.09 0.01 0.00 0.35 0.00 0.00 41.96 42.32 1wi6 s TYR 94 CO 0.89 -0.11 -0.19 0.00 -1.34 0.00 0.00 175.55 174.81 1wi6 s PHE 96 N 0.56 0.21 -0.11 0.00 5.36 -0.51 -5.03 117.98 118.46 1wi6 s PHE 96 Ca -0.15 0.01 -0.01 0.00 -0.96 0.00 0.00 56.93 55.82 1wi6 s PHE 96 Cb -0.17 -0.27 0.04 0.00 -0.34 0.00 0.00 43.02 42.28 1wi6 s PHE 96 CO 0.05 -0.08 -0.01 0.08 -1.46 0.00 0.00 175.22 173.81 1wi6 s VAL 97 N 0.65 0.58 -0.40 3.12 1.01 -1.26 -1.83 120.40 122.26 1wi6 s VAL 97 Ca -0.06 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1wi6 s VAL 97 Cb -0.09 -0.79 0.11 0.00 0.00 0.00 0.00 36.38 35.61 1wi6 s VAL 97 CO -0.01 0.17 0.16 -0.62 0.00 0.00 0.00 175.10 174.79 1wi6 s ASP 98 N 1.87 4.93 0.14 3.32 -1.08 -0.81 -4.96 116.67 120.10 1wi6 s ASP 98 Ca 0.03 -2.25 -0.12 0.00 -0.52 0.00 0.00 52.55 49.69 1wi6 s ASP 98 Cb -0.14 -1.72 -0.01 0.00 -1.46 0.00 0.00 42.92 39.59 1wi6 s ASP 98 CO -0.07 -0.42 1.54 0.07 0.52 0.00 0.00 175.17 176.81 1wi6 h LYS 99 N 7.61 0.89 -0.25 4.34 2.10 -1.91 -1.63 116.57 127.72 1wi6 h LYS 99 Ca -0.07 -0.37 0.02 0.00 -2.00 0.00 0.00 60.65 58.23 1wi6 h LYS 99 Cb 1.01 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 32.27 1wi6 h LYS 99 CO 0.62 1.01 -0.15 0.66 -2.00 0.00 0.00 179.45 179.59 1wi6 n TYR 100 N -4.22 -0.11 -0.09 0.07 4.01 -1.26 -1.21 117.16 114.35 1wi6 n TYR 100 Ca -0.01 0.31 -0.11 0.00 -0.16 0.00 0.00 57.90 57.93 1wi6 n TYR 100 Cb 0.41 -0.50 0.02 0.00 -0.31 0.00 0.00 39.34 38.96 1wi6 n TYR 100 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1wi6 h LYS 101 N 0.00 0.84 0.00 -0.72 1.79 -2.01 -3.47 116.57 113.00 1wi6 h LYS 101 Ca 0.04 -0.43 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1wi6 h LYS 101 Cb 0.10 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1wi6 h LYS 101 CO -0.24 1.07 0.00 0.41 -1.08 0.00 0.00 179.45 179.62 1wi6 n GLY 102 N 0.07 1.52 3.25 3.86 0.00 -0.35 -4.94 105.19 108.60 1wi6 n GLY 102 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 0.34 -0.03 2.61 -4.23 -0.84 -2.49 115.64 109.01 1wi6 s THR 103 Ca 0.00 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1wi6 s THR 103 Cb 0.00 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.39 1wi6 s THR 103 CO 0.00 -0.10 0.02 0.00 -0.54 0.00 0.00 174.62 174.00 1wi6 s ALA 104 N -3.91 0.19 -0.18 3.99 0.00 -1.03 -1.91 121.76 118.91 1wi6 s ALA 104 Ca 0.35 0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 1wi6 s ALA 104 Cb 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1wi6 s ALA 104 CO 0.11 -0.11 -0.07 -0.06 0.00 0.00 0.00 175.76 175.63 1wi6 s PHE 105 N 1.09 2.92 -0.03 0.00 0.08 -0.76 -2.20 117.98 119.08 1wi6 s PHE 105 Ca -0.09 -0.77 0.03 0.00 0.12 0.00 0.00 56.93 56.22 1wi6 s PHE 105 Cb -0.13 -2.00 0.00 0.00 -0.57 0.00 0.00 43.02 40.32 1wi6 s PHE 105 CO -0.02 -0.38 -0.11 0.08 -0.10 0.00 0.00 175.22 174.69 1wi6 s VAL 106 N 0.98 0.93 -0.27 -0.44 1.01 -1.24 -1.42 120.40 119.95 1wi6 s VAL 106 Ca -0.01 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 1wi6 s VAL 106 Cb -0.15 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.42 1wi6 s VAL 106 CO -0.00 0.29 0.02 -0.89 0.00 0.00 0.00 175.10 174.52 1wi6 s THR 107 N 0.21 3.53 0.79 3.92 2.01 -0.85 -2.04 115.64 123.20 1wi6 s THR 107 Ca -0.04 -0.79 -0.07 0.00 0.31 0.00 0.00 61.69 61.10 1wi6 s THR 107 Cb -0.10 -2.79 0.17 0.00 0.01 0.00 0.00 72.50 69.79 1wi6 s THR 107 CO 0.01 0.15 1.08 0.18 -0.69 0.00 0.00 174.62 175.36 1wi6 n LEU 108 N 4.79 0.00 0.02 4.42 4.77 -1.26 -2.67 117.00 127.07 1wi6 n LEU 108 Ca -0.15 -1.77 -0.01 0.00 -0.03 0.00 0.00 56.01 54.05 1wi6 n LEU 108 Cb 0.48 -0.76 -0.01 0.00 -2.33 0.00 0.00 43.42 40.80 1wi6 n LEU 108 CO 0.29 -1.14 0.13 0.25 -1.33 0.00 0.00 177.39 175.59 1wi6 h LEU 109 N 0.00 -0.06 0.00 2.23 5.85 -1.96 -3.45 115.31 117.91 1wi6 h LEU 109 Ca -0.35 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.09 1wi6 h LEU 109 Cb 1.15 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1wi6 h LEU 109 CO 0.32 0.04 -0.09 -0.46 -0.34 0.00 0.00 178.44 177.90 1wi6 n ASN 110 N -2.65 1.54 0.06 1.25 0.23 -1.26 -4.97 115.26 109.46 1wi6 n ASN 110 Ca -0.01 -1.91 -0.02 0.00 -0.53 0.00 0.00 54.58 52.12 1wi6 n ASN 110 Cb 0.03 -0.12 -0.07 0.00 -2.08 0.00 0.00 39.78 37.55 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 0.21 0.00 0.85 4.83 0.00 -1.93 -3.31 103.07 103.72 1wi6 h GLY 111 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.19 1wi6 h GLY 111 CO 0.25 0.00 0.22 0.83 0.00 0.00 0.00 176.54 177.84 1wi6 h GLU 112 N 0.00 0.44 -0.25 4.80 5.08 -1.96 0.03 114.58 122.72 1wi6 h GLU 112 Ca -0.11 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 1wi6 h GLU 112 Cb 1.63 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 1wi6 h GLU 112 CO 0.07 0.29 -0.20 1.96 -1.00 0.00 0.00 179.01 180.13 1wi6 h GLN 113 N 0.45 0.45 -0.33 2.33 4.20 -1.99 -2.29 115.11 117.93 1wi6 h GLN 113 Ca 0.17 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1wi6 h GLN 113 Cb 0.05 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1wi6 h GLN 113 CO -0.10 0.63 -0.11 0.00 -0.67 0.00 0.00 178.83 178.58 1wi6 h ALA 114 N 1.38 0.46 -0.42 3.87 0.00 -1.47 -2.05 119.26 121.03 1wi6 h ALA 114 Ca 0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1wi6 h ALA 114 Cb 0.58 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1wi6 h ALA 114 CO 0.04 0.33 0.17 1.49 0.00 0.00 0.00 179.25 181.28 1wi6 h GLU 115 N 0.44 0.63 -0.54 0.00 4.81 -0.86 -0.25 114.58 118.81 1wi6 h GLU 115 Ca 0.08 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1wi6 h GLU 115 Cb 0.63 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1wi6 h GLU 115 CO 0.04 0.58 0.32 0.00 -0.73 0.00 0.00 179.01 179.22 1wi6 h ALA 116 N 1.02 0.68 -0.39 2.92 0.00 -1.39 0.33 119.26 122.43 1wi6 h ALA 116 Ca 0.14 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1wi6 h ALA 116 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1wi6 h ALA 116 CO -0.01 0.17 0.04 0.00 0.00 0.00 0.00 179.25 179.45 1wi6 h ALA 117 N 1.15 0.52 -0.50 0.00 0.00 -1.20 -2.32 119.26 116.92 1wi6 h ALA 117 Ca 0.19 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1wi6 h ALA 117 Cb -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1wi6 h ALA 117 CO -0.04 0.26 -0.19 0.82 0.00 0.00 0.00 179.25 180.11 1wi6 h ILE 118 N 0.50 1.27 -0.55 0.00 2.04 -0.82 0.30 117.51 120.26 1wi6 h ILE 118 Ca 0.12 -1.36 0.02 0.00 1.00 0.00 0.00 64.86 64.64 1wi6 h ILE 118 Cb 0.41 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1wi6 h ILE 118 CO 0.01 0.47 0.34 -1.13 0.00 0.00 0.00 178.15 177.84 1wi6 h ASN 119 N 0.88 0.55 0.01 1.72 -0.73 -0.25 0.77 115.58 118.53 1wi6 h ASN 119 Ca 0.12 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.26 1wi6 h ASN 119 Cb 0.77 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 39.25 1wi6 h ASN 119 CO 0.06 0.39 -0.13 0.74 -0.37 0.00 0.00 177.43 178.12 1wi6 h THR 120 N 0.67 1.68 -0.07 -3.57 2.02 -1.34 -3.29 112.91 109.00 1wi6 h THR 120 Ca 0.22 -2.17 -0.02 0.00 0.77 0.00 0.00 66.41 65.21 1wi6 h THR 120 Cb 0.01 3.14 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 1wi6 h THR 120 CO -0.09 0.57 -0.05 -0.26 0.37 0.00 0.00 175.52 176.06 1wi6 h PHE 121 N -0.79 0.10 -4.22 3.16 0.04 -0.35 -3.40 116.94 111.47 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 1.01 -0.03 0.11 0.00 2.20 0.00 0.00 35.95 39.25 1wi6 h PHE 121 CO 0.23 0.16 0.36 -1.58 -0.60 0.00 0.00 178.31 176.89 1wi6 s HIS 122 N -4.91 2.54 -0.68 -0.55 5.65 0.27 -3.06 115.29 114.55 1wi6 s HIS 122 Ca -0.05 1.56 -0.03 0.00 0.25 0.00 0.00 55.06 56.79 1wi6 s HIS 122 Cb 0.16 -3.17 0.03 0.00 -1.18 0.00 0.00 32.58 28.42 1wi6 s HIS 122 CO 0.70 -1.81 0.12 0.00 -0.65 0.00 0.00 174.74 173.10 1wi6 n GLN 123 N -2.72 -2.65 -2.95 2.88 10.64 -1.25 -4.91 117.38 116.42 1wi6 n GLN 123 Ca 0.10 0.28 -0.19 0.00 -1.83 0.00 0.00 57.00 55.36 1wi6 n GLN 123 Cb 0.52 -4.85 0.04 0.00 -0.86 0.00 0.00 30.24 25.10 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 -2.22 5.25 0.02 2.61 1.04 -1.17 -4.96 113.70 114.28 1wi6 s SER 124 Ca 0.13 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1wi6 s SER 124 Cb -0.07 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.86 1wi6 s SER 124 CO 0.16 -1.16 -0.03 -0.13 0.98 0.00 0.00 173.24 173.05 1wi6 s ARG 125 N -4.60 0.30 -0.15 4.02 0.52 -1.26 -1.37 118.95 116.42 1wi6 s ARG 125 Ca 0.59 -0.53 -0.04 0.00 -0.52 0.00 0.00 55.73 55.23 1wi6 s ARG 125 Cb -0.08 0.03 0.07 0.00 0.52 0.00 0.00 34.95 35.50 1wi6 s ARG 125 CO 0.37 -0.03 0.23 -1.17 0.02 0.00 0.00 175.30 174.72 1wi6 s LEU 126 N -1.24 -0.19 -1.17 2.53 2.96 -0.85 -4.90 118.68 115.83 1wi6 s LEU 126 Ca -0.13 0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 54.00 1wi6 s LEU 126 Cb -0.08 0.50 0.00 0.00 0.50 0.00 0.00 46.19 47.11 1wi6 s LEU 126 CO -0.01 -0.27 0.99 0.54 -1.32 0.00 0.00 176.35 176.28 1wi6 n ARG 127 N 5.33 -6.57 -3.39 1.98 1.74 -1.26 -3.10 116.66 111.39 1wi6 n ARG 127 Ca -0.05 0.80 -0.17 0.00 -0.77 0.00 0.00 57.85 57.65 1wi6 n ARG 127 Cb 0.50 -5.68 0.07 0.00 -1.02 0.00 0.00 32.46 26.33 1wi6 n ARG 127 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1wi6 n GLU 128 N -4.15 -4.26 -3.69 5.56 1.02 -1.26 -5.02 120.64 108.84 1wi6 n GLU 128 Ca -0.20 0.81 -0.14 0.00 -0.02 0.00 0.00 57.16 57.61 1wi6 n GLU 128 Cb 0.63 -5.69 -0.07 0.00 -0.02 0.00 0.00 31.44 26.29 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 -5.03 0.81 -0.12 3.49 1.04 -1.18 -5.15 118.95 112.81 1wi6 s ARG 129 Ca 0.23 -0.16 -0.20 0.00 -1.04 0.00 0.00 55.73 54.55 1wi6 s ARG 129 Cb -0.04 0.37 -0.04 0.00 -2.04 0.00 0.00 34.95 33.20 1wi6 s ARG 129 CO 0.75 -0.25 0.58 -2.00 -0.04 0.00 0.00 175.30 174.34 1wi6 s GLU 130 N -1.63 4.34 -0.14 3.89 2.12 -1.26 -2.00 118.70 124.01 1wi6 s GLU 130 Ca -0.11 0.61 -0.04 0.00 0.36 0.00 0.00 54.97 55.79 1wi6 s GLU 130 Cb -0.03 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 1wi6 s GLU 130 CO 0.03 0.03 0.00 -0.51 -0.54 0.00 0.00 175.26 174.28 1wi6 s LEU 131 N 1.00 3.50 -0.17 2.70 1.43 -0.47 -4.88 118.68 121.79 1wi6 s LEU 131 Ca 0.30 0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 53.37 1wi6 s LEU 131 Cb -0.16 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1wi6 s LEU 131 CO 0.13 0.23 -0.02 -0.44 0.23 0.00 0.00 176.35 176.48 1wi6 s SER 132 N -0.01 4.80 -0.01 2.29 0.01 -0.99 -3.80 113.70 115.99 1wi6 s SER 132 Ca 0.03 -0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.14 1wi6 s SER 132 Cb -0.13 -1.80 -0.00 0.00 0.21 0.00 0.00 66.02 64.30 1wi6 s SER 132 CO 0.02 0.13 -0.05 -0.69 0.41 0.00 0.00 173.24 173.06 1wi6 s VAL 133 N 0.63 0.40 0.16 3.43 1.01 -1.26 -0.20 120.40 124.57 1wi6 s VAL 133 Ca -0.02 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 1wi6 s VAL 133 Cb -0.14 -0.34 0.04 0.00 0.00 0.00 0.00 36.38 35.93 1wi6 s VAL 133 CO 0.02 0.12 0.49 0.00 0.00 0.00 0.00 175.10 175.73 1wi6 s GLN 134 N -0.06 1.23 0.46 2.72 -2.07 -0.98 -4.81 119.66 116.14 1wi6 s GLN 134 Ca 0.01 -0.71 -0.25 0.00 -1.82 0.00 0.00 55.36 52.60 1wi6 s GLN 134 Cb -0.03 0.52 -0.08 0.00 -1.09 0.00 0.00 33.01 32.33 1wi6 s GLN 134 CO -0.00 -0.51 1.41 -0.51 -1.32 0.00 0.00 175.29 174.35 1wi6 s LEU 135 N -2.81 4.08 0.35 2.60 1.43 -1.26 -1.66 118.68 121.41 1wi6 s LEU 135 Ca 0.05 2.87 -0.28 0.00 -1.03 0.00 0.00 54.13 55.74 1wi6 s LEU 135 Cb 0.00 -3.98 -0.12 0.00 0.03 0.00 0.00 46.19 42.12 1wi6 s LEU 135 CO -0.09 -1.20 1.40 1.67 0.23 0.00 0.00 176.35 178.35 1wi6 n GLN 136 N -0.28 2.38 -1.08 1.70 7.27 -1.02 -4.76 117.38 121.58 1wi6 n GLN 136 Ca 0.06 0.84 -0.30 0.00 0.07 0.00 0.00 57.00 57.66 1wi6 n GLN 136 Cb 0.42 -2.50 0.24 0.00 2.41 0.00 0.00 30.24 30.82 1wi6 n GLN 136 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1wi6 s PRO 137 N -1.76 -1.29 -1.22 3.69 0.04 -1.26 -4.89 135.00 128.31 1wi6 s PRO 137 Ca 0.56 -0.09 -0.20 0.00 0.04 0.00 0.00 61.00 61.31 1wi6 s PRO 137 Cb -0.53 -1.59 0.04 0.00 0.04 0.00 0.00 34.50 32.45 1wi6 s PRO 137 CO 0.61 -3.75 1.73 0.95 0.04 0.00 0.00 177.00 176.58 1wi6 s THR 138 N -3.01 3.96 -1.01 1.26 -4.23 -1.26 -3.86 115.64 107.49 1wi6 s THR 138 Ca 0.71 -1.49 -0.01 0.00 -1.18 0.00 0.00 61.69 59.72 1wi6 s THR 138 Cb -0.09 -5.02 0.00 0.00 1.34 0.00 0.00 72.50 68.73 1wi6 s THR 138 CO 0.56 -1.80 0.13 -0.67 -0.54 0.00 0.00 174.62 172.30 1wi6 n ASP 139 N 9.70 -4.06 -4.24 3.99 2.03 -1.26 -3.19 116.55 119.52 1wi6 n ASP 139 Ca 0.45 -0.07 -0.31 0.00 0.52 0.00 0.00 54.79 55.38 1wi6 n ASP 139 Cb 0.47 -3.14 -0.07 0.00 -0.72 0.00 0.00 41.12 37.65 1wi6 n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wi6 n ALA 140 N -2.05 -1.90 -3.53 -1.67 0.00 -1.25 -4.91 120.51 105.19 1wi6 n ALA 140 Ca -0.12 -0.34 -0.36 0.00 0.00 0.00 0.00 53.44 52.63 1wi6 n ALA 140 Cb 0.60 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 18.65 1wi6 n ALA 140 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1wi6 s LEU 141 N -7.26 3.81 -0.39 0.00 1.98 -1.19 -5.07 118.68 110.56 1wi6 s LEU 141 Ca 0.11 -1.10 -0.29 0.00 -2.89 0.00 0.00 54.13 49.97 1wi6 s LEU 141 Cb -0.06 -1.75 0.02 0.00 0.66 0.00 0.00 46.19 45.05 1wi6 s LEU 141 CO 0.97 -0.24 1.21 -0.76 -1.89 0.00 0.00 176.35 175.64 1wi6 s LEU 142 N 1.32 3.76 0.11 -0.68 1.43 -1.26 -4.84 118.68 118.52 1wi6 s LEU 142 Ca -0.03 0.85 0.06 0.00 -1.03 0.00 0.00 54.13 53.98 1wi6 s LEU 142 Cb -0.19 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 1wi6 s LEU 142 CO -0.01 -1.15 -0.14 0.00 0.23 0.00 0.00 176.35 175.27 1wi6 s SER 144 N -2.32 2.77 0.00 0.00 0.01 -1.26 -5.10 113.70 107.80 1wi6 s SER 144 Ca 0.07 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1wi6 s SER 144 Cb -0.06 -1.25 0.00 0.00 0.21 0.00 0.00 66.02 64.92 1wi6 s SER 144 CO 0.03 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.29 1wi6 n GLY 145 N 4.42 -0.66 3.77 3.44 0.00 -1.26 -5.16 105.19 109.75 1wi6 n GLY 145 Ca -0.19 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 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 2.88 -0.13 1.61 0.04 -1.26 -5.01 135.00 131.13 1wi6 s PRO 146 Ca 0.00 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.34 1wi6 s PRO 146 Cb 0.00 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 1wi6 s PRO 146 CO 0.00 -1.19 0.20 1.03 0.04 0.00 0.00 177.00 177.08 1wi6 h SER 147 N 0.20 0.00 -5.14 6.66 0.87 -2.04 -3.49 113.55 110.60 1wi6 h SER 147 Ca -0.47 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 59.75 1wi6 h SER 147 Cb 1.25 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.14 1wi6 h SER 147 CO 0.54 0.79 0.05 -0.94 -0.53 0.00 0.00 176.83 176.75 1wi6 s SER 148 N -5.91 -0.11 0.00 6.23 1.04 -1.26 -5.32 113.70 108.36 1wi6 s SER 148 Ca -0.11 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1wi6 s SER 148 Cb 0.00 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1wi6 s SER 148 CO 0.29 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.85