#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi6 n SER 63 N 0.00 -1.82 -3.70 1.61 7.64 -1.26 -4.97 113.62 111.13 1wi6 n SER 63 Ca 0.00 0.91 -0.20 0.00 1.01 0.00 0.00 58.87 60.58 1wi6 n SER 63 Cb 0.00 -0.85 -0.18 0.00 -1.01 0.00 0.00 64.21 62.18 1wi6 n SER 63 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wi6 s SER 64 N -0.92 1.20 0.00 6.43 0.01 -1.26 -5.09 113.70 114.08 1wi6 s SER 64 Ca 0.57 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1wi6 s SER 64 Cb -0.74 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.29 1wi6 s SER 64 CO 0.54 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.57 1wi6 n GLY 65 N 5.22 2.01 3.01 3.44 0.00 -1.26 -5.15 105.19 112.46 1wi6 n GLY 65 Ca -0.05 0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1wi6 n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wi6 s SER 66 N 0.00 1.68 -0.24 1.61 1.04 -1.26 -5.00 113.70 111.53 1wi6 s SER 66 Ca 0.00 -0.28 -0.07 0.00 0.48 0.00 0.00 55.95 56.08 1wi6 s SER 66 Cb 0.00 -0.77 -0.17 0.00 0.10 0.00 0.00 66.02 65.18 1wi6 s SER 66 CO 0.00 0.03 -0.14 -1.20 0.98 0.00 0.00 173.24 172.91 1wi6 n SER 67 N 3.80 1.98 -4.30 7.02 7.64 -1.26 -4.58 113.62 123.92 1wi6 n SER 67 Ca -0.23 0.14 -0.39 0.00 1.01 0.00 0.00 58.87 59.40 1wi6 n SER 67 Cb 0.52 -0.68 0.01 0.00 -1.01 0.00 0.00 64.21 63.05 1wi6 n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi6 n GLY 68 N 1.79 -2.78 3.36 0.23 0.00 -1.26 -4.23 105.19 102.30 1wi6 n GLY 68 Ca -0.45 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.90 1.60 -0.04 -0.61 -5.25 0.63 -2.68 121.20 112.96 1wi6 s ILE 69 Ca 0.60 -2.16 0.00 0.00 -0.99 0.00 0.00 60.65 58.10 1wi6 s ILE 69 Cb -0.51 -2.17 0.03 0.00 2.95 0.00 0.00 42.46 42.76 1wi6 s ILE 69 CO 0.63 -0.50 -0.01 -0.22 -1.79 0.00 0.00 174.94 173.05 1wi6 s LEU 70 N -3.34 1.13 0.05 0.37 2.96 0.12 -3.30 118.68 116.68 1wi6 s LEU 70 Ca 0.24 -0.06 0.09 0.00 -0.22 0.00 0.00 54.13 54.18 1wi6 s LEU 70 Cb 0.01 -0.32 -0.03 0.00 0.50 0.00 0.00 46.19 46.36 1wi6 s LEU 70 CO 0.08 -0.10 -0.26 -0.63 -1.32 0.00 0.00 176.35 174.12 1wi6 s ILE 71 N 1.12 2.09 -0.01 6.68 1.01 -0.95 -1.61 121.20 129.53 1wi6 s ILE 71 Ca -0.08 -1.40 0.02 0.00 0.00 0.00 0.00 60.65 59.19 1wi6 s ILE 71 Cb -0.14 -1.80 -0.00 0.00 0.01 0.00 0.00 42.46 40.54 1wi6 s ILE 71 CO -0.02 0.32 -0.07 -0.13 0.00 0.00 0.00 174.94 175.04 1wi6 s ARG 72 N -1.31 0.70 0.00 2.79 0.52 -0.05 -2.95 118.95 118.65 1wi6 s ARG 72 Ca 0.11 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 1wi6 s ARG 72 Cb -0.10 -0.68 0.00 0.00 0.52 0.00 0.00 34.95 34.70 1wi6 s ARG 72 CO 0.02 0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.88 1wi6 n GLY 73 N 3.10 0.42 3.91 -3.53 0.00 -1.09 -2.33 105.19 105.67 1wi6 n GLY 73 Ca -0.16 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.16 4.25 1.07 0.99 1.43 -1.14 -4.83 118.68 119.30 1wi6 s LEU 74 Ca 0.00 0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 53.12 1wi6 s LEU 74 Cb 0.00 -2.85 0.23 0.00 0.03 0.00 0.00 46.19 43.60 1wi6 s LEU 74 CO 0.00 0.11 1.10 -2.16 0.23 0.00 0.00 176.35 175.63 1wi6 s PRO 75 N -2.86 -0.18 0.34 1.29 0.04 -1.26 -4.94 135.00 127.42 1wi6 s PRO 75 Ca 0.34 0.31 0.26 0.00 0.04 0.00 0.00 61.00 61.95 1wi6 s PRO 75 Cb -0.12 -1.68 0.82 0.00 0.04 0.00 0.00 34.50 33.56 1wi6 s PRO 75 CO 0.27 -3.10 1.76 0.78 0.04 0.00 0.00 177.00 176.75 1wi6 h GLY 76 N -2.15 0.00 -2.11 0.56 0.00 -2.00 -3.00 103.07 94.38 1wi6 h GLY 76 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1wi6 h GLY 76 CO 0.50 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.26 1wi6 n ASP 77 N -2.63 4.03 -4.61 0.19 8.00 -1.26 -4.97 116.55 115.30 1wi6 n ASP 77 Ca 0.04 -2.54 -0.43 0.00 0.71 0.00 0.00 54.79 52.56 1wi6 n ASP 77 Cb 0.39 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 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 -2.00 3.17 0.36 2.53 0.11 -1.13 -4.96 120.40 118.47 1wi6 s VAL 78 Ca 0.41 0.18 0.09 0.00 -2.93 0.00 0.00 61.98 59.72 1wi6 s VAL 78 Cb 0.28 -3.21 -0.07 0.00 -1.53 0.00 0.00 36.38 31.86 1wi6 s VAL 78 CO 0.16 -0.12 -0.05 0.28 -3.33 0.00 0.00 175.10 172.04 1wi6 s THR 79 N 7.46 2.27 0.51 5.04 -1.32 -1.26 -4.89 115.64 123.44 1wi6 s THR 79 Ca 0.93 -2.11 0.24 0.00 -1.21 0.00 0.00 61.69 59.53 1wi6 s THR 79 Cb -0.31 -2.75 0.40 0.00 -1.51 0.00 0.00 72.50 68.33 1wi6 s THR 79 CO 0.35 -0.16 1.96 0.78 -2.21 0.00 0.00 174.62 175.34 1wi6 h ASN 80 N 1.92 0.10 -0.17 8.08 2.35 -1.95 0.14 115.58 126.05 1wi6 h ASN 80 Ca -0.43 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.28 1wi6 h ASN 80 Cb 1.25 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.59 1wi6 h ASN 80 CO 0.72 0.05 -0.05 -0.61 -1.65 0.00 0.00 177.43 175.89 1wi6 h GLN 81 N 0.10 0.47 -0.31 0.81 5.75 -1.97 -1.29 115.11 118.68 1wi6 h GLN 81 Ca 0.31 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.68 1wi6 h GLN 81 Cb 1.07 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.54 1wi6 h GLN 81 CO -0.03 0.53 0.10 1.49 -2.65 0.00 0.00 178.83 178.26 1wi6 h GLU 82 N 0.45 0.48 -0.41 1.69 4.57 -1.11 -0.42 114.58 119.82 1wi6 h GLU 82 Ca 0.09 -0.10 -0.14 0.00 -1.18 0.00 0.00 59.36 58.03 1wi6 h GLU 82 Cb 0.37 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1wi6 h GLU 82 CO 0.02 0.52 -0.28 -0.39 -1.18 0.00 0.00 179.01 177.70 1wi6 h VAL 83 N 0.34 1.27 -0.15 0.32 -1.51 -1.45 -1.84 116.25 113.23 1wi6 h VAL 83 Ca 0.10 -1.44 -0.01 0.00 -1.23 0.00 0.00 66.70 64.11 1wi6 h VAL 83 Cb 0.25 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 1wi6 h VAL 83 CO -0.00 0.49 0.05 0.45 -1.23 0.00 0.00 177.57 177.32 1wi6 h HIS 84 N 0.76 0.24 -0.56 5.19 3.86 -1.11 -1.69 115.15 121.84 1wi6 h HIS 84 Ca 0.09 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.23 1wi6 h HIS 84 Cb 0.85 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.22 1wi6 h HIS 84 CO 0.05 0.34 0.16 0.22 0.86 0.00 0.00 177.93 179.56 1wi6 h ASP 85 N 0.07 0.78 -0.62 2.45 3.58 -1.06 0.33 116.42 121.96 1wi6 h ASP 85 Ca 0.05 -0.13 -0.05 0.00 0.42 0.00 0.00 57.03 57.32 1wi6 h ASP 85 Cb 0.21 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 1wi6 h ASP 85 CO -0.00 0.75 0.18 0.25 -2.88 0.00 0.00 179.24 177.54 1wi6 h LEU 86 N 0.82 0.91 -3.68 2.28 5.85 -1.13 -3.02 115.31 117.33 1wi6 h LEU 86 Ca 0.18 -0.21 -0.45 0.00 0.84 0.00 0.00 57.88 58.24 1wi6 h LEU 86 Cb 0.27 -0.24 -0.28 0.00 0.37 0.00 0.00 40.66 40.78 1wi6 h LEU 86 CO -0.01 0.88 -0.09 0.18 -0.34 0.00 0.00 178.44 179.07 1wi6 n LEU 87 N -4.37 5.40 -0.60 2.25 4.77 -0.65 -4.67 117.00 119.12 1wi6 n LEU 87 Ca 0.04 -4.26 0.01 0.00 -0.03 0.00 0.00 56.01 51.77 1wi6 n LEU 87 Cb 0.22 -0.62 0.06 0.00 -2.33 0.00 0.00 43.42 40.75 1wi6 n LEU 87 CO 0.40 1.62 0.39 -0.24 -1.33 0.00 0.00 177.39 178.24 1wi6 n SER 88 N -0.93 1.46 -0.04 -1.43 2.88 0.11 -3.23 113.62 112.45 1wi6 n SER 88 Ca 0.45 -2.11 -0.01 0.00 -1.33 0.00 0.00 58.87 55.87 1wi6 n SER 88 Cb 0.94 -0.43 -0.09 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.03 2.37 -4.88 -3.46 9.92 -1.26 -5.03 116.55 114.23 1wi6 n ASP 89 Ca 0.04 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.07 1wi6 n ASP 89 Cb 0.33 1.04 0.03 0.00 -0.64 0.00 0.00 41.12 41.88 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 -2.21 -1.29 -2.85 1.24 4.02 -1.20 -5.07 117.16 109.79 1wi6 n TYR 90 Ca -0.12 -2.24 -0.43 0.00 -0.01 0.00 0.00 57.90 55.10 1wi6 n TYR 90 Cb 0.65 -0.49 -0.04 0.00 -0.02 0.00 0.00 39.34 39.43 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 -4.41 3.48 -0.78 -0.72 0.41 -1.26 -4.99 118.70 110.42 1wi6 s GLU 91 Ca 0.44 0.05 -0.21 0.00 -0.41 0.00 0.00 54.97 54.84 1wi6 s GLU 91 Cb -0.03 -3.95 0.10 0.00 -1.78 0.00 0.00 34.13 28.47 1wi6 s GLU 91 CO 0.28 -1.23 1.03 -0.51 -0.49 0.00 0.00 175.26 174.33 1wi6 s LEU 92 N 3.68 4.72 0.16 1.80 1.43 -1.26 -3.69 118.68 125.52 1wi6 s LEU 92 Ca 0.35 -1.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.01 1wi6 s LEU 92 Cb -0.11 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1wi6 s LEU 92 CO 0.25 -1.26 1.36 0.11 0.23 0.00 0.00 176.35 177.04 1wi6 h LYS 93 N 9.24 0.11 -2.77 1.70 1.79 -1.87 -3.45 116.57 121.32 1wi6 h LYS 93 Ca -0.09 -0.14 -0.14 0.00 -2.18 0.00 0.00 60.65 58.11 1wi6 h LYS 93 Cb 1.05 0.04 -0.27 0.00 -1.58 0.00 0.00 32.23 31.47 1wi6 h LYS 93 CO 1.15 0.94 -0.34 -0.47 -1.08 0.00 0.00 179.45 179.65 1wi6 s TYR 94 N -3.07 -0.50 -0.08 -1.35 5.04 -1.19 -5.02 117.35 111.19 1wi6 s TYR 94 Ca -0.02 1.11 0.03 0.00 -2.44 0.00 0.00 57.07 55.75 1wi6 s TYR 94 Cb 0.10 0.19 0.01 0.00 0.35 0.00 0.00 41.96 42.61 1wi6 s TYR 94 CO 0.82 -0.29 -0.16 0.00 -1.34 0.00 0.00 175.55 174.58 1wi6 s PHE 96 N 0.58 0.32 -0.10 0.00 5.36 -0.63 -5.03 117.98 118.47 1wi6 s PHE 96 Ca -0.16 -0.03 -0.01 0.00 -0.96 0.00 0.00 56.93 55.77 1wi6 s PHE 96 Cb -0.16 -0.32 0.03 0.00 -0.34 0.00 0.00 43.02 42.23 1wi6 s PHE 96 CO 0.05 -0.08 -0.00 0.08 -1.46 0.00 0.00 175.22 173.81 1wi6 s VAL 97 N 0.52 0.49 -0.36 3.12 1.01 -1.26 -2.03 120.40 121.88 1wi6 s VAL 97 Ca -0.05 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1wi6 s VAL 97 Cb -0.08 -0.69 0.10 0.00 0.00 0.00 0.00 36.38 35.71 1wi6 s VAL 97 CO -0.01 0.20 0.11 -0.62 0.00 0.00 0.00 175.10 174.77 1wi6 s ASP 98 N 1.92 4.98 0.13 3.32 -1.08 -0.76 -4.96 116.67 120.21 1wi6 s ASP 98 Ca 0.04 -2.00 -0.12 0.00 -0.52 0.00 0.00 52.55 49.95 1wi6 s ASP 98 Cb -0.13 -1.72 -0.06 0.00 -1.46 0.00 0.00 42.92 39.55 1wi6 s ASP 98 CO -0.06 -0.43 1.45 0.07 0.52 0.00 0.00 175.17 176.71 1wi6 h LYS 99 N 7.84 0.90 -0.30 4.34 2.10 -1.90 -1.54 116.57 128.00 1wi6 h LYS 99 Ca -0.10 -0.50 0.03 0.00 -2.00 0.00 0.00 60.65 58.09 1wi6 h LYS 99 Cb 1.04 0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 32.35 1wi6 h LYS 99 CO 0.60 1.14 -0.25 1.88 -2.00 0.00 0.00 179.45 180.81 1wi6 h TYR 100 N 0.70 -0.80 -0.24 0.07 0.05 -1.94 -1.25 116.97 113.57 1wi6 h TYR 100 Ca 0.05 0.05 -0.12 0.00 0.05 0.00 0.00 58.73 58.75 1wi6 h TYR 100 Cb 1.01 0.39 -0.01 0.00 1.01 0.00 0.00 36.73 39.12 1wi6 h TYR 100 CO 0.07 -0.19 -0.36 0.87 -1.05 0.00 0.00 178.16 177.49 1wi6 h LYS 101 N -0.10 0.53 -0.03 4.88 1.79 -2.01 -3.47 116.57 118.16 1wi6 h LYS 101 Ca 0.05 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1wi6 h LYS 101 Cb 0.23 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1wi6 h LYS 101 CO -0.33 0.81 0.00 0.41 -1.08 0.00 0.00 179.45 179.26 1wi6 n GLY 102 N -0.12 1.60 3.29 3.86 0.00 -0.47 -4.96 105.19 108.39 1wi6 n GLY 102 Ca -0.01 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.03 0.49 -0.02 2.61 -4.23 -0.80 -2.66 115.64 109.00 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 -2.56 0.03 0.00 1.34 0.00 0.00 72.50 71.31 1wi6 s THR 103 CO 0.00 -0.06 0.04 0.00 -0.54 0.00 0.00 174.62 174.06 1wi6 s ALA 104 N -3.80 0.06 -0.17 3.99 0.00 -1.15 -1.83 121.76 118.85 1wi6 s ALA 104 Ca 0.36 0.32 -0.00 0.00 0.00 0.00 0.00 51.96 52.64 1wi6 s ALA 104 Cb 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1wi6 s ALA 104 CO 0.12 -0.11 -0.14 -0.06 0.00 0.00 0.00 175.76 175.57 1wi6 s PHE 105 N 1.06 2.81 0.04 0.00 0.40 -0.86 -2.23 117.98 119.21 1wi6 s PHE 105 Ca -0.09 -1.11 0.05 0.00 -0.60 0.00 0.00 56.93 55.18 1wi6 s PHE 105 Cb -0.13 -1.92 -0.02 0.00 0.51 0.00 0.00 43.02 41.46 1wi6 s PHE 105 CO -0.03 -0.53 -0.14 0.08 0.70 0.00 0.00 175.22 175.29 1wi6 s VAL 106 N 0.98 1.13 -0.22 -0.44 1.01 -1.21 -1.61 120.40 120.04 1wi6 s VAL 106 Ca -0.02 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 1wi6 s VAL 106 Cb -0.15 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1wi6 s VAL 106 CO -0.02 -0.02 -0.10 -0.89 0.00 0.00 0.00 175.10 174.06 1wi6 s THR 107 N -0.92 2.68 0.71 3.92 2.01 -0.77 -0.27 115.64 122.99 1wi6 s THR 107 Ca 0.01 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.04 1wi6 s THR 107 Cb -0.08 -2.29 0.11 0.00 0.01 0.00 0.00 72.50 70.25 1wi6 s THR 107 CO 0.01 0.32 0.98 -0.76 -0.69 0.00 0.00 174.62 174.48 1wi6 s LEU 108 N 1.32 3.00 0.00 4.42 1.43 -1.26 -3.01 118.68 124.59 1wi6 s LEU 108 Ca 0.02 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1wi6 s LEU 108 Cb -0.15 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.89 1wi6 s LEU 108 CO -0.07 -1.78 0.81 -0.11 0.23 0.00 0.00 176.35 175.43 1wi6 n LEU 109 N -2.81 0.06 0.00 1.79 7.94 -1.24 -4.76 117.00 117.98 1wi6 n LEU 109 Ca 0.14 0.85 -0.18 0.00 -1.11 0.00 0.00 56.01 55.70 1wi6 n LEU 109 Cb 0.60 -0.40 -0.02 0.00 0.53 0.00 0.00 43.42 44.13 1wi6 n LEU 109 CO 0.43 -0.40 -0.07 0.59 -1.11 0.00 0.00 177.39 176.84 1wi6 n ASN 110 N -1.70 2.52 0.06 1.96 3.02 -1.26 -4.92 115.26 114.93 1wi6 n ASN 110 Ca 0.00 -2.28 0.13 0.00 -0.03 0.00 0.00 54.58 52.40 1wi6 n ASN 110 Cb 0.00 0.11 0.49 0.00 -0.61 0.00 0.00 39.78 39.78 1wi6 n ASN 110 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wi6 n GLY 111 N 1.11 -1.55 0.14 7.41 0.00 -1.26 -3.50 105.19 107.54 1wi6 n GLY 111 Ca -0.08 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 1wi6 n GLY 111 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1wi6 h GLU 112 N 0.00 0.40 -0.24 1.61 4.11 -1.95 -1.92 114.58 116.58 1wi6 h GLU 112 Ca 0.00 -0.18 -0.14 0.00 0.07 0.00 0.00 59.36 59.11 1wi6 h GLU 112 Cb 0.59 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1wi6 h GLU 112 CO 0.00 0.72 -0.43 1.96 0.07 0.00 0.00 179.01 181.33 1wi6 h GLN 113 N 0.08 0.58 -0.28 1.06 4.20 -1.98 -2.67 115.11 116.09 1wi6 h GLN 113 Ca 0.04 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.42 1wi6 h GLN 113 Cb 0.61 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1wi6 h GLN 113 CO 0.03 0.90 0.09 0.00 -0.67 0.00 0.00 178.83 179.19 1wi6 h ALA 114 N 1.06 0.37 -0.40 3.87 0.00 -1.59 -1.17 119.26 121.40 1wi6 h ALA 114 Ca 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1wi6 h ALA 114 Cb 0.94 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1wi6 h ALA 114 CO 0.08 -0.01 0.23 1.49 0.00 0.00 0.00 179.25 181.05 1wi6 h GLU 115 N 0.30 0.54 -0.60 0.00 4.81 -1.32 0.12 114.58 118.42 1wi6 h GLU 115 Ca 0.09 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1wi6 h GLU 115 Cb 0.23 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1wi6 h GLU 115 CO -0.00 0.41 0.36 0.00 -0.73 0.00 0.00 179.01 179.04 1wi6 h ALA 116 N 1.10 0.77 -0.36 2.92 0.00 -1.37 0.31 119.26 122.63 1wi6 h ALA 116 Ca 0.14 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1wi6 h ALA 116 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1wi6 h ALA 116 CO -0.03 0.26 -0.06 0.00 0.00 0.00 0.00 179.25 179.42 1wi6 h ALA 117 N 1.18 0.49 -0.52 0.00 0.00 -0.94 -2.69 119.26 116.78 1wi6 h ALA 117 Ca 0.22 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1wi6 h ALA 117 Cb -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1wi6 h ALA 117 CO -0.04 0.32 -0.16 0.82 0.00 0.00 0.00 179.25 180.19 1wi6 h ILE 118 N 0.48 1.27 -0.40 0.00 2.04 -0.54 0.32 117.51 120.67 1wi6 h ILE 118 Ca 0.09 -1.33 0.04 0.00 1.00 0.00 0.00 64.86 64.67 1wi6 h ILE 118 Cb 0.56 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 1wi6 h ILE 118 CO 0.03 0.47 0.16 -1.13 0.00 0.00 0.00 178.15 177.67 1wi6 h ASN 119 N 0.90 0.18 0.02 1.72 -0.73 -0.32 0.86 115.58 118.21 1wi6 h ASN 119 Ca 0.13 0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 1wi6 h ASN 119 Cb 0.74 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.35 1wi6 h ASN 119 CO 0.06 0.14 -0.14 0.74 -0.37 0.00 0.00 177.43 177.86 1wi6 h THR 120 N 0.33 1.68 0.00 -3.57 2.02 -1.42 -3.28 112.91 108.67 1wi6 h THR 120 Ca 0.18 -2.17 -0.01 0.00 0.77 0.00 0.00 66.41 65.18 1wi6 h THR 120 Cb 0.15 3.13 -0.00 0.00 -1.74 0.00 0.00 68.15 69.69 1wi6 h THR 120 CO -0.17 0.58 -0.05 -0.26 0.37 0.00 0.00 175.52 175.99 1wi6 h PHE 121 N -0.78 0.00 -4.23 3.16 0.04 -0.29 -3.41 116.94 111.43 1wi6 h PHE 121 Ca -0.02 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.25 1wi6 h PHE 121 Cb 1.02 0.00 0.13 0.00 2.20 0.00 0.00 35.95 39.30 1wi6 h PHE 121 CO 0.23 0.05 0.30 -1.58 -0.60 0.00 0.00 178.31 176.71 1wi6 s HIS 122 N -4.73 2.54 -0.25 -0.55 5.65 0.30 -3.21 115.29 115.04 1wi6 s HIS 122 Ca -0.05 1.41 0.00 0.00 0.25 0.00 0.00 55.06 56.68 1wi6 s HIS 122 Cb 0.16 -3.08 0.00 0.00 -1.18 0.00 0.00 32.58 28.48 1wi6 s HIS 122 CO 0.62 -1.97 0.00 0.00 -0.65 0.00 0.00 174.74 172.74 1wi6 n GLN 123 N -3.62 -2.66 -3.02 2.88 10.64 -1.26 -4.88 117.38 115.45 1wi6 n GLN 123 Ca 0.08 0.14 -0.19 0.00 -1.83 0.00 0.00 57.00 55.20 1wi6 n GLN 123 Cb 0.54 -4.62 0.05 0.00 -0.86 0.00 0.00 30.24 25.35 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 -1.94 5.25 0.02 2.61 1.04 -1.20 -5.00 113.70 114.48 1wi6 s SER 124 Ca 0.00 -0.73 -0.03 0.00 0.48 0.00 0.00 55.95 55.67 1wi6 s SER 124 Cb 0.00 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 1wi6 s SER 124 CO 0.00 -1.19 0.05 -0.13 0.98 0.00 0.00 173.24 172.95 1wi6 s ARG 125 N -4.59 0.43 -0.11 4.02 0.52 -1.26 -2.20 118.95 115.76 1wi6 s ARG 125 Ca 0.60 -0.59 -0.05 0.00 -0.52 0.00 0.00 55.73 55.17 1wi6 s ARG 125 Cb -0.07 0.17 0.05 0.00 0.52 0.00 0.00 34.95 35.62 1wi6 s ARG 125 CO 0.37 -0.09 0.25 -1.17 0.02 0.00 0.00 175.30 174.68 1wi6 s LEU 126 N -1.61 0.20 -1.51 2.53 2.96 -0.61 -4.88 118.68 115.75 1wi6 s LEU 126 Ca -0.13 0.54 -0.13 0.00 -0.22 0.00 0.00 54.13 54.20 1wi6 s LEU 126 Cb -0.07 0.72 0.08 0.00 0.50 0.00 0.00 46.19 47.41 1wi6 s LEU 126 CO -0.01 -0.19 0.97 0.54 -1.32 0.00 0.00 176.35 176.35 1wi6 n ARG 127 N 4.56 -5.62 -3.18 1.98 1.74 -1.26 -2.00 116.66 112.88 1wi6 n ARG 127 Ca -0.20 0.61 -0.14 0.00 -0.77 0.00 0.00 57.85 57.35 1wi6 n ARG 127 Cb 0.52 -5.49 0.07 0.00 -1.02 0.00 0.00 32.46 26.55 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 -4.68 -4.60 -3.72 5.56 1.02 -1.26 -5.03 120.64 107.92 1wi6 n GLU 128 Ca 0.01 0.75 -0.14 0.00 -0.02 0.00 0.00 57.16 57.77 1wi6 n GLU 128 Cb 0.54 -5.40 -0.09 0.00 -0.02 0.00 0.00 31.44 26.46 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 -4.89 0.62 -0.14 3.49 1.04 -0.85 -5.14 118.95 113.09 1wi6 s ARG 129 Ca 0.13 0.24 -0.29 0.00 -1.04 0.00 0.00 55.73 54.77 1wi6 s ARG 129 Cb -0.02 0.29 -0.01 0.00 -2.04 0.00 0.00 34.95 33.17 1wi6 s ARG 129 CO 0.64 -0.13 0.99 -2.00 -0.04 0.00 0.00 175.30 174.76 1wi6 s GLU 130 N -0.53 4.38 -0.18 3.89 2.56 -1.26 -1.58 118.70 125.98 1wi6 s GLU 130 Ca -0.06 1.33 -0.07 0.00 0.00 0.00 0.00 54.97 56.17 1wi6 s GLU 130 Cb -0.04 -3.56 -0.04 0.00 2.00 0.00 0.00 34.13 32.49 1wi6 s GLU 130 CO 0.03 -0.37 0.06 -0.51 -0.56 0.00 0.00 175.26 173.90 1wi6 s LEU 131 N 2.25 3.81 -0.20 2.70 1.43 -0.94 -4.84 118.68 122.90 1wi6 s LEU 131 Ca 0.46 0.09 -0.08 0.00 -1.03 0.00 0.00 54.13 53.57 1wi6 s LEU 131 Cb -0.17 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1wi6 s LEU 131 CO 0.15 0.19 0.08 -0.44 0.23 0.00 0.00 176.35 176.56 1wi6 s SER 132 N 0.28 5.66 -0.04 2.29 0.01 -0.99 -4.12 113.70 116.80 1wi6 s SER 132 Ca 0.04 0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.38 1wi6 s SER 132 Cb -0.12 -1.98 0.01 0.00 0.21 0.00 0.00 66.02 64.13 1wi6 s SER 132 CO 0.00 0.14 -0.11 -0.69 0.41 0.00 0.00 173.24 172.99 1wi6 s VAL 133 N 0.58 0.95 0.19 3.43 1.01 -1.26 -0.87 120.40 124.44 1wi6 s VAL 133 Ca 0.04 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 1wi6 s VAL 133 Cb -0.13 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.42 1wi6 s VAL 133 CO 0.01 0.30 0.48 0.00 0.00 0.00 0.00 175.10 175.89 1wi6 s GLN 134 N 0.30 1.35 0.41 2.72 -2.07 -0.63 -4.86 119.66 116.88 1wi6 s GLN 134 Ca -0.06 -0.93 -0.25 0.00 -1.82 0.00 0.00 55.36 52.30 1wi6 s GLN 134 Cb -0.11 0.49 -0.08 0.00 -1.09 0.00 0.00 33.01 32.22 1wi6 s GLN 134 CO 0.01 -0.56 1.20 -0.51 -1.32 0.00 0.00 175.29 174.11 1wi6 s LEU 135 N -2.89 4.17 0.07 2.60 1.43 -1.26 -0.70 118.68 122.10 1wi6 s LEU 135 Ca 0.11 2.41 -0.20 0.00 -1.03 0.00 0.00 54.13 55.42 1wi6 s LEU 135 Cb -0.00 -4.03 -0.07 0.00 0.03 0.00 0.00 46.19 42.12 1wi6 s LEU 135 CO -0.02 -0.76 0.60 -1.58 0.23 0.00 0.00 176.35 174.82 1wi6 s GLN 136 N -2.34 4.27 0.15 1.70 0.74 -1.09 -4.71 119.66 118.38 1wi6 s GLN 136 Ca 0.58 0.79 -0.31 0.00 0.05 0.00 0.00 55.36 56.48 1wi6 s GLN 136 Cb -0.32 -3.26 -0.08 0.00 1.10 0.00 0.00 33.01 30.45 1wi6 s GLN 136 CO 0.40 0.58 1.33 -1.25 -0.55 0.00 0.00 175.29 175.81 1wi6 s PRO 137 N -0.95 4.36 0.32 1.67 0.04 -1.26 -4.78 135.00 134.40 1wi6 s PRO 137 Ca 0.30 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.09 1wi6 s PRO 137 Cb -0.20 -3.23 -0.10 0.00 0.04 0.00 0.00 34.50 31.01 1wi6 s PRO 137 CO 0.20 -0.33 1.36 0.99 0.04 0.00 0.00 177.00 179.25 1wi6 s THR 138 N 0.63 2.63 -1.82 1.26 2.01 -1.26 -2.87 115.64 116.22 1wi6 s THR 138 Ca 0.60 0.60 -0.19 0.00 0.31 0.00 0.00 61.69 63.01 1wi6 s THR 138 Cb -0.36 -3.39 0.19 0.00 0.01 0.00 0.00 72.50 68.96 1wi6 s THR 138 CO 0.34 0.13 0.52 -0.67 -0.69 0.00 0.00 174.62 174.25 1wi6 n ASP 139 N 1.09 -1.47 -0.30 3.53 -0.08 -1.26 -4.74 116.55 113.31 1wi6 n ASP 139 Ca 0.02 -1.23 0.08 0.00 -1.51 0.00 0.00 54.79 52.14 1wi6 n ASP 139 Cb 0.41 -1.70 0.16 0.00 2.34 0.00 0.00 41.12 42.33 1wi6 n ASP 139 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wi6 n ALA 140 N -4.17 0.28 -0.56 -1.67 0.00 -1.14 -4.45 120.51 108.80 1wi6 n ALA 140 Ca 0.04 0.94 -0.30 0.00 0.00 0.00 0.00 53.44 54.11 1wi6 n ALA 140 Cb 0.50 -0.60 0.22 0.00 0.00 0.00 0.00 19.45 19.57 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 -5.35 -2.10 -4.00 0.00 4.32 -1.26 -5.00 117.00 103.61 1wi6 n LEU 141 Ca 0.16 -0.21 -0.31 0.00 -0.02 0.00 0.00 56.01 55.63 1wi6 n LEU 141 Cb 0.51 -1.07 -0.15 0.00 -1.62 0.00 0.00 43.42 41.08 1wi6 n LEU 141 CO -0.09 -3.27 -0.44 -0.22 -1.22 0.00 0.00 177.39 172.15 1wi6 s LEU 142 N -4.10 3.05 0.52 2.23 2.96 -1.26 -5.11 118.68 116.98 1wi6 s LEU 142 Ca 0.61 -1.32 -0.19 0.00 -0.22 0.00 0.00 54.13 53.02 1wi6 s LEU 142 Cb -0.18 -1.37 -0.11 0.00 0.50 0.00 0.00 46.19 45.04 1wi6 s LEU 142 CO 0.65 -0.22 0.39 0.00 -1.32 0.00 0.00 176.35 175.85 1wi6 s SER 144 N -1.09 6.56 0.00 0.00 0.15 -1.26 -4.37 113.70 113.70 1wi6 s SER 144 Ca 0.65 2.60 0.00 0.00 0.70 0.00 0.00 55.95 59.90 1wi6 s SER 144 Cb -0.49 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.24 1wi6 s SER 144 CO 0.58 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1wi6 n GLY 145 N 3.89 0.67 3.56 9.45 0.00 -1.26 -5.03 105.19 116.47 1wi6 n GLY 145 Ca 0.15 -0.75 -0.27 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 -0.90 2.56 -0.20 1.61 0.04 -1.26 -4.95 135.00 131.90 1wi6 s PRO 146 Ca 0.00 -0.27 -0.20 0.00 0.04 0.00 0.00 61.00 60.57 1wi6 s PRO 146 Cb 0.00 -5.04 -0.03 0.00 0.04 0.00 0.00 34.50 29.47 1wi6 s PRO 146 CO 0.00 -3.35 0.60 0.45 0.04 0.00 0.00 177.00 174.74 1wi6 s SER 147 N 8.02 6.64 -0.30 6.66 0.15 -1.26 -4.95 113.70 128.66 1wi6 s SER 147 Ca 0.70 0.78 0.13 0.00 0.70 0.00 0.00 55.95 58.26 1wi6 s SER 147 Cb -0.07 -2.33 0.47 0.00 -1.71 0.00 0.00 66.02 62.38 1wi6 s SER 147 CO -0.00 -0.25 1.13 -1.20 1.20 0.00 0.00 173.24 174.12 1wi6 n SER 148 N 5.02 3.51 0.00 5.45 7.64 -1.26 -5.28 113.62 128.70 1wi6 n SER 148 Ca -0.02 -3.09 0.00 0.00 1.01 0.00 0.00 58.87 56.76 1wi6 n SER 148 Cb 0.50 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1wi6 n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64