#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 2.00 -3.67 1.61 7.64 -1.26 -5.01 113.62 114.93 1wi6 n SER 63 Ca 0.00 0.06 -0.09 0.00 1.01 0.00 0.00 58.87 59.85 1wi6 n SER 63 Cb 0.00 -0.54 -0.09 0.00 -1.01 0.00 0.00 64.21 62.57 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 -6.76 -0.70 0.00 6.43 0.01 -1.26 -5.10 113.70 106.32 1wi6 s SER 64 Ca -0.34 1.17 0.00 0.00 1.31 0.00 0.00 55.95 58.09 1wi6 s SER 64 Cb 0.11 1.09 0.00 0.00 0.21 0.00 0.00 66.02 67.43 1wi6 s SER 64 CO 0.52 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.56 1wi6 n GLY 65 N 4.37 1.70 1.46 3.44 0.00 -1.26 -4.78 105.19 110.11 1wi6 n GLY 65 Ca -0.21 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1wi6 n GLY 65 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wi6 n SER 66 N 0.00 0.03 -4.27 1.61 7.64 -1.26 -4.65 113.62 112.72 1wi6 n SER 66 Ca 0.00 0.02 -0.29 0.00 1.01 0.00 0.00 58.87 59.60 1wi6 n SER 66 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 1wi6 n SER 66 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wi6 s SER 67 N -5.03 2.81 0.00 6.43 1.04 -1.26 -4.21 113.70 113.47 1wi6 s SER 67 Ca 0.00 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1wi6 s SER 67 Cb 0.00 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.80 1wi6 s SER 67 CO 0.00 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.12 1wi6 n GLY 68 N 2.50 4.30 3.16 7.32 0.00 -1.26 -4.68 105.19 116.54 1wi6 n GLY 68 Ca -0.16 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.89 0.66 -0.05 -0.61 -5.25 -0.31 -3.46 121.20 110.30 1wi6 s ILE 69 Ca 0.00 -1.91 -0.00 0.00 -0.99 0.00 0.00 60.65 57.75 1wi6 s ILE 69 Cb 0.00 -1.65 0.03 0.00 2.95 0.00 0.00 42.46 43.79 1wi6 s ILE 69 CO 0.00 -0.87 -0.00 -0.22 -1.79 0.00 0.00 174.94 172.05 1wi6 s LEU 70 N -3.00 0.96 -0.07 0.37 2.96 0.74 -3.33 118.68 117.30 1wi6 s LEU 70 Ca 0.11 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 1wi6 s LEU 70 Cb 0.05 -0.33 -0.02 0.00 0.50 0.00 0.00 46.19 46.39 1wi6 s LEU 70 CO -0.05 -0.13 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.06 1wi6 s ILE 71 N 1.36 2.85 -0.05 6.68 1.01 -1.03 -1.31 121.20 130.70 1wi6 s ILE 71 Ca -0.05 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.87 1wi6 s ILE 71 Cb -0.13 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 1wi6 s ILE 71 CO -0.02 0.57 -0.21 -0.13 0.00 0.00 0.00 174.94 175.14 1wi6 s ARG 72 N -0.40 2.25 0.00 2.79 0.52 -0.00 -3.01 118.95 121.10 1wi6 s ARG 72 Ca 0.04 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 1wi6 s ARG 72 Cb -0.12 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.44 1wi6 s ARG 72 CO 0.02 0.30 0.00 0.41 0.02 0.00 0.00 175.30 176.05 1wi6 n GLY 73 N 3.08 -0.35 3.43 -3.53 0.00 -0.69 -2.94 105.19 104.20 1wi6 n GLY 73 Ca -0.18 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.50 2.48 0.00 0.99 1.43 -0.44 -4.88 118.68 117.77 1wi6 s LEU 74 Ca 0.00 -0.76 -0.07 0.00 -1.03 0.00 0.00 54.13 52.26 1wi6 s LEU 74 Cb 0.00 -1.28 0.11 0.00 0.03 0.00 0.00 46.19 45.05 1wi6 s LEU 74 CO 0.00 0.15 0.39 -0.81 0.23 0.00 0.00 176.35 176.30 1wi6 n PRO 75 N 0.52 -1.77 0.00 1.29 -0.04 -1.26 -4.82 135.00 128.92 1wi6 n PRO 75 Ca -0.14 -0.62 0.13 0.00 -0.04 0.00 0.00 63.50 62.83 1wi6 n PRO 75 Cb 0.55 -0.58 0.37 0.00 -0.04 0.00 0.00 33.50 33.79 1wi6 n PRO 75 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wi6 n GLY 76 N -0.10 0.35 0.25 0.55 0.00 -1.26 -3.87 105.19 101.11 1wi6 n GLY 76 Ca 0.05 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.57 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 0.58 1.46 -4.55 1.61 8.00 -1.26 -4.99 116.55 117.39 1wi6 n ASP 77 Ca 0.17 -1.23 -0.44 0.00 0.71 0.00 0.00 54.79 54.00 1wi6 n ASP 77 Cb 0.44 0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.60 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 0.24 0.25 -4.42 2.53 3.14 -1.25 -4.94 118.33 113.88 1wi6 n VAL 78 Ca 0.04 -0.44 -0.27 0.00 -2.96 0.00 0.00 64.34 60.71 1wi6 n VAL 78 Cb 0.17 -2.31 -0.09 0.00 -1.06 0.00 0.00 33.84 30.55 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 8.51 2.07 0.43 1.55 -1.32 -1.26 -4.67 115.64 120.94 1wi6 s THR 79 Ca 1.04 -1.87 0.12 0.00 -1.21 0.00 0.00 61.69 59.77 1wi6 s THR 79 Cb -0.48 -2.93 0.31 0.00 -1.51 0.00 0.00 72.50 67.89 1wi6 s THR 79 CO 0.38 0.00 2.00 -0.55 -2.21 0.00 0.00 174.62 174.24 1wi6 h ASN 80 N 1.59 0.39 -0.32 8.08 -1.07 -1.92 -0.51 115.58 121.82 1wi6 h ASN 80 Ca -0.43 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 55.92 1wi6 h ASN 80 Cb 1.25 -0.08 -0.02 0.00 -2.07 0.00 0.00 38.32 37.40 1wi6 h ASN 80 CO 0.76 0.25 0.15 -0.61 0.07 0.00 0.00 177.43 178.05 1wi6 h GLN 81 N 0.44 0.51 -0.30 4.14 5.75 -1.97 -0.38 115.11 123.30 1wi6 h GLN 81 Ca 0.25 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.66 1wi6 h GLN 81 Cb 0.40 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 1wi6 h GLN 81 CO -0.07 0.42 0.09 1.49 -2.65 0.00 0.00 178.83 178.11 1wi6 h GLU 82 N 0.51 0.47 -0.37 1.69 4.81 -1.47 -0.96 114.58 119.27 1wi6 h GLU 82 Ca 0.13 -0.11 -0.16 0.00 -0.13 0.00 0.00 59.36 59.09 1wi6 h GLU 82 Cb 0.10 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1wi6 h GLU 82 CO -0.01 0.53 -0.41 -0.39 -0.73 0.00 0.00 179.01 178.00 1wi6 h VAL 83 N 0.33 1.27 -0.20 0.32 -1.51 -1.42 -1.93 116.25 113.12 1wi6 h VAL 83 Ca 0.10 -1.59 -0.00 0.00 -1.23 0.00 0.00 66.70 63.98 1wi6 h VAL 83 Cb 0.26 1.42 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 1wi6 h VAL 83 CO -0.00 0.53 0.11 0.45 -1.23 0.00 0.00 177.57 177.43 1wi6 h HIS 84 N 0.74 0.26 -0.71 5.19 3.86 -0.98 -0.01 115.15 123.50 1wi6 h HIS 84 Ca 0.05 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 1wi6 h HIS 84 Cb 1.00 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 29.36 1wi6 h HIS 84 CO 0.06 0.23 0.16 0.22 0.86 0.00 0.00 177.93 179.46 1wi6 h ASP 85 N 0.22 1.09 -0.72 2.45 3.58 -1.18 0.15 116.42 122.01 1wi6 h ASP 85 Ca 0.07 -0.24 -0.07 0.00 0.42 0.00 0.00 57.03 57.21 1wi6 h ASP 85 Cb 0.05 -0.29 -0.03 0.00 1.72 0.00 0.00 39.33 40.78 1wi6 h ASP 85 CO -0.01 1.05 0.19 0.25 -2.88 0.00 0.00 179.24 177.84 1wi6 h LEU 86 N 1.08 1.09 -3.74 2.28 5.85 -1.10 -2.89 115.31 117.88 1wi6 h LEU 86 Ca 0.22 -0.23 -0.46 0.00 0.84 0.00 0.00 57.88 58.26 1wi6 h LEU 86 Cb 0.39 -0.29 -0.26 0.00 0.37 0.00 0.00 40.66 40.88 1wi6 h LEU 86 CO 0.01 1.03 0.20 0.18 -0.34 0.00 0.00 178.44 179.52 1wi6 n LEU 87 N -4.24 5.81 -0.45 2.25 4.77 -0.04 -4.61 117.00 120.49 1wi6 n LEU 87 Ca 0.06 -4.06 0.01 0.00 -0.03 0.00 0.00 56.01 51.99 1wi6 n LEU 87 Cb 0.25 -0.72 0.05 0.00 -2.33 0.00 0.00 43.42 40.67 1wi6 n LEU 87 CO 0.42 1.43 0.44 -0.24 -1.33 0.00 0.00 177.39 178.11 1wi6 n SER 88 N -1.00 1.12 -0.03 -1.43 2.88 0.50 -3.18 113.62 112.48 1wi6 n SER 88 Ca 0.49 -2.07 0.01 0.00 -1.33 0.00 0.00 58.87 55.98 1wi6 n SER 88 Cb 1.06 -0.30 -0.10 0.00 -0.75 0.00 0.00 64.21 64.12 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 -0.05 2.11 -4.00 -3.46 8.00 -1.26 -5.03 116.55 112.86 1wi6 n ASP 89 Ca 0.04 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.36 1wi6 n ASP 89 Cb 0.24 1.25 0.01 0.00 -0.02 0.00 0.00 41.12 42.59 1wi6 n ASP 89 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1wi6 n TYR 90 N -2.15 -1.09 -3.00 1.24 4.02 -1.19 -5.08 117.16 109.91 1wi6 n TYR 90 Ca -0.09 -1.61 -0.43 0.00 -0.01 0.00 0.00 57.90 55.75 1wi6 n TYR 90 Cb 0.56 -0.32 -0.06 0.00 -0.02 0.00 0.00 39.34 39.50 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 -3.62 3.34 -0.81 -0.72 0.41 -1.26 -5.00 118.70 111.04 1wi6 s GLU 91 Ca 0.25 -0.26 -0.19 0.00 -0.41 0.00 0.00 54.97 54.37 1wi6 s GLU 91 Cb -0.02 -3.97 0.13 0.00 -1.78 0.00 0.00 34.13 28.49 1wi6 s GLU 91 CO 0.16 -1.14 0.96 -0.51 -0.49 0.00 0.00 175.26 174.23 1wi6 s LEU 92 N 3.20 5.31 0.13 1.80 1.43 -1.26 -3.64 118.68 125.65 1wi6 s LEU 92 Ca 0.27 -1.88 -0.05 0.00 -1.03 0.00 0.00 54.13 51.44 1wi6 s LEU 92 Cb -0.13 -2.35 -0.07 0.00 0.03 0.00 0.00 46.19 43.66 1wi6 s LEU 92 CO 0.20 -1.05 1.33 0.11 0.23 0.00 0.00 176.35 177.17 1wi6 h LYS 93 N 8.84 0.47 -3.28 1.70 1.79 -1.88 -3.45 116.57 120.76 1wi6 h LYS 93 Ca -0.00 -0.46 -0.23 0.00 -2.18 0.00 0.00 60.65 57.77 1wi6 h LYS 93 Cb 1.05 0.12 -0.31 0.00 -1.58 0.00 0.00 32.23 31.51 1wi6 h LYS 93 CO 1.06 1.11 -0.59 -0.47 -1.08 0.00 0.00 179.45 179.47 1wi6 s TYR 94 N -3.40 -0.16 -0.09 -1.35 5.04 -1.18 -5.04 117.35 111.17 1wi6 s TYR 94 Ca -0.06 0.46 0.03 0.00 -2.44 0.00 0.00 57.07 55.06 1wi6 s TYR 94 Cb 0.09 -0.06 0.01 0.00 0.35 0.00 0.00 41.96 42.35 1wi6 s TYR 94 CO 0.87 -0.15 -0.19 0.00 -1.34 0.00 0.00 175.55 174.74 1wi6 s PHE 96 N 0.51 -0.03 -0.14 0.00 5.36 -0.49 -5.03 117.98 118.16 1wi6 s PHE 96 Ca -0.16 0.37 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 1wi6 s PHE 96 Cb -0.17 -0.38 0.02 0.00 -0.34 0.00 0.00 43.02 42.15 1wi6 s PHE 96 CO 0.06 -0.21 -0.13 0.08 -1.46 0.00 0.00 175.22 173.56 1wi6 s VAL 97 N 2.10 1.45 -0.47 3.12 1.01 -1.26 -0.23 120.40 126.12 1wi6 s VAL 97 Ca 0.03 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1wi6 s VAL 97 Cb -0.12 -1.38 0.12 0.00 0.00 0.00 0.00 36.38 35.01 1wi6 s VAL 97 CO -0.04 0.44 0.23 -0.62 0.00 0.00 0.00 175.10 175.11 1wi6 s ASP 98 N 1.52 4.87 0.06 3.32 2.15 0.07 -4.94 116.67 123.71 1wi6 s ASP 98 Ca 0.05 -2.53 -0.21 0.00 0.43 0.00 0.00 52.55 50.29 1wi6 s ASP 98 Cb -0.13 -1.73 -0.12 0.00 -0.30 0.00 0.00 42.92 40.64 1wi6 s ASP 98 CO -0.10 -0.38 1.51 0.07 -0.17 0.00 0.00 175.17 176.10 1wi6 h LYS 99 N 7.27 0.27 -0.11 4.34 2.10 -1.83 -0.46 116.57 128.15 1wi6 h LYS 99 Ca -0.07 -0.08 0.01 0.00 -2.00 0.00 0.00 60.65 58.51 1wi6 h LYS 99 Cb 0.98 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.27 1wi6 h LYS 99 CO 0.65 0.48 -0.06 0.66 -2.00 0.00 0.00 179.45 179.17 1wi6 n TYR 100 N -4.76 -0.05 0.20 0.07 4.01 -1.26 0.87 117.16 116.23 1wi6 n TYR 100 Ca -0.05 0.14 0.05 0.00 -0.16 0.00 0.00 57.90 57.88 1wi6 n TYR 100 Cb 0.20 -0.40 0.42 0.00 -0.31 0.00 0.00 39.34 39.25 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 0.00 -0.06 -0.72 1.79 -2.01 -3.47 116.57 112.11 1wi6 h LYS 101 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1wi6 h LYS 101 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1wi6 h LYS 101 CO -0.10 0.33 0.00 0.41 -1.08 0.00 0.00 179.45 179.00 1wi6 n GLY 102 N -0.34 1.30 3.14 3.86 0.00 0.25 -4.85 105.19 108.55 1wi6 n GLY 102 Ca -0.01 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.06 0.57 -0.02 2.61 -4.23 -0.27 -1.32 115.64 110.92 1wi6 s THR 103 Ca 0.00 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 58.66 1wi6 s THR 103 Cb 0.00 -1.58 0.02 0.00 1.34 0.00 0.00 72.50 72.27 1wi6 s THR 103 CO 0.00 -0.88 -0.01 0.00 -0.54 0.00 0.00 174.62 173.19 1wi6 s ALA 104 N -3.57 0.35 -0.18 3.99 0.00 -1.16 -0.75 121.76 120.43 1wi6 s ALA 104 Ca 0.09 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.10 1wi6 s ALA 104 Cb 0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 1wi6 s ALA 104 CO -0.06 -0.02 -0.11 -0.06 0.00 0.00 0.00 175.76 175.51 1wi6 s PHE 105 N 0.69 2.86 -0.00 0.00 0.08 0.69 -2.46 117.98 119.84 1wi6 s PHE 105 Ca -0.07 -1.03 0.06 0.00 0.12 0.00 0.00 56.93 56.00 1wi6 s PHE 105 Cb -0.10 -1.97 -0.02 0.00 -0.57 0.00 0.00 43.02 40.36 1wi6 s PHE 105 CO -0.01 -0.51 -0.19 0.08 -0.10 0.00 0.00 175.22 174.49 1wi6 s VAL 106 N 1.08 1.47 -0.21 -0.44 1.01 -1.21 -1.40 120.40 120.70 1wi6 s VAL 106 Ca 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 1wi6 s VAL 106 Cb -0.15 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.00 1wi6 s VAL 106 CO -0.03 0.35 -0.11 -0.89 0.00 0.00 0.00 175.10 174.42 1wi6 s THR 107 N -0.52 2.78 0.56 3.92 2.01 -0.79 -1.16 115.64 122.43 1wi6 s THR 107 Ca 0.07 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.37 1wi6 s THR 107 Cb -0.07 -2.26 0.07 0.00 0.01 0.00 0.00 72.50 70.25 1wi6 s THR 107 CO -0.00 0.43 0.78 -0.76 -0.69 0.00 0.00 174.62 174.38 1wi6 s LEU 108 N 1.38 3.25 0.00 4.42 1.43 -1.26 -3.07 118.68 124.83 1wi6 s LEU 108 Ca 0.05 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1wi6 s LEU 108 Cb -0.14 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.87 1wi6 s LEU 108 CO -0.07 -1.28 0.67 -0.11 0.23 0.00 0.00 176.35 175.80 1wi6 n LEU 109 N -2.30 0.18 0.00 1.79 7.94 -1.24 -4.69 117.00 118.68 1wi6 n LEU 109 Ca 0.12 0.75 -0.12 0.00 -1.11 0.00 0.00 56.01 55.65 1wi6 n LEU 109 Cb 0.60 -0.36 0.02 0.00 0.53 0.00 0.00 43.42 44.22 1wi6 n LEU 109 CO 0.41 -0.36 0.14 -0.46 -1.11 0.00 0.00 177.39 176.02 1wi6 n ASN 110 N -1.58 1.43 0.12 1.96 0.23 -1.26 -4.76 115.26 111.41 1wi6 n ASN 110 Ca 0.00 -1.91 0.05 0.00 -0.53 0.00 0.00 54.58 52.19 1wi6 n ASN 110 Cb 0.00 -0.16 0.02 0.00 -2.08 0.00 0.00 39.78 37.56 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 0.16 0.00 0.82 4.83 0.00 -1.92 -3.31 103.07 103.65 1wi6 h GLY 111 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.20 1wi6 h GLY 111 CO 0.24 0.00 0.26 0.83 0.00 0.00 0.00 176.54 177.87 1wi6 h GLU 112 N 0.00 0.51 -0.49 4.80 4.39 -1.96 0.11 114.58 121.93 1wi6 h GLU 112 Ca -0.05 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 1wi6 h GLU 112 Cb 1.30 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 1wi6 h GLU 112 CO 0.04 0.33 -0.06 1.96 -1.16 0.00 0.00 179.01 180.12 1wi6 h GLN 113 N 0.52 0.92 -0.53 2.33 4.20 -1.99 -1.23 115.11 119.33 1wi6 h GLN 113 Ca 0.20 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1wi6 h GLN 113 Cb 0.07 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1wi6 h GLN 113 CO -0.12 0.98 0.30 0.00 -0.67 0.00 0.00 178.83 179.32 1wi6 h ALA 114 N 0.91 0.68 -0.31 3.87 0.00 -1.55 -0.13 119.26 122.73 1wi6 h ALA 114 Ca 0.13 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1wi6 h ALA 114 Cb 0.61 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1wi6 h ALA 114 CO 0.04 0.18 -0.06 1.49 0.00 0.00 0.00 179.25 180.90 1wi6 h GLU 115 N 0.71 0.59 -0.38 0.00 4.81 -0.90 -0.77 114.58 118.64 1wi6 h GLU 115 Ca 0.19 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1wi6 h GLU 115 Cb 0.03 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1wi6 h GLU 115 CO -0.03 0.77 0.24 0.00 -0.73 0.00 0.00 179.01 179.25 1wi6 h ALA 116 N 0.81 0.49 -0.41 2.92 0.00 -1.04 0.27 119.26 122.30 1wi6 h ALA 116 Ca 0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1wi6 h ALA 116 Cb 0.54 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1wi6 h ALA 116 CO 0.03 -0.02 0.04 0.00 0.00 0.00 0.00 179.25 179.29 1wi6 h ALA 117 N 1.11 0.55 -0.61 0.00 0.00 -0.98 -2.79 119.26 116.53 1wi6 h ALA 117 Ca 0.14 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1wi6 h ALA 117 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1wi6 h ALA 117 CO -0.03 0.29 -0.01 0.82 0.00 0.00 0.00 179.25 180.33 1wi6 h ILE 118 N 0.54 1.27 -0.48 0.00 2.04 -0.93 0.21 117.51 120.16 1wi6 h ILE 118 Ca 0.12 -1.16 0.06 0.00 1.00 0.00 0.00 64.86 64.88 1wi6 h ILE 118 Cb 0.42 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 1wi6 h ILE 118 CO 0.01 0.42 0.18 -1.13 0.00 0.00 0.00 178.15 177.63 1wi6 h ASN 119 N 0.98 0.19 0.01 1.72 -0.73 -0.35 0.94 115.58 118.34 1wi6 h ASN 119 Ca 0.17 0.06 -0.04 0.00 1.87 0.00 0.00 56.30 58.36 1wi6 h ASN 119 Cb 0.57 0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.20 1wi6 h ASN 119 CO 0.03 0.14 -0.15 0.74 -0.37 0.00 0.00 177.43 177.82 1wi6 h THR 120 N 0.35 1.65 0.00 -3.57 2.02 -1.39 -3.25 112.91 108.72 1wi6 h THR 120 Ca 0.23 -2.10 -0.01 0.00 0.77 0.00 0.00 66.41 65.30 1wi6 h THR 120 Cb 0.23 3.04 -0.00 0.00 -1.74 0.00 0.00 68.15 69.68 1wi6 h THR 120 CO -0.23 0.56 -0.04 -0.26 0.37 0.00 0.00 175.52 175.92 1wi6 h PHE 121 N -0.73 0.00 -3.98 3.16 0.04 -0.46 -3.41 116.94 111.56 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 0.00 0.15 0.00 2.20 0.00 0.00 35.95 39.30 1wi6 h PHE 121 CO 0.22 0.04 0.22 -1.58 -0.60 0.00 0.00 178.31 176.62 1wi6 s HIS 122 N -4.29 2.22 -0.68 -0.55 5.65 0.32 -3.45 115.29 114.51 1wi6 s HIS 122 Ca -0.04 0.98 -0.09 0.00 0.25 0.00 0.00 55.06 56.16 1wi6 s HIS 122 Cb 0.13 -3.28 0.09 0.00 -1.18 0.00 0.00 32.58 28.34 1wi6 s HIS 122 CO 0.53 -2.73 0.22 0.00 -0.65 0.00 0.00 174.74 172.11 1wi6 n GLN 123 N -4.06 -1.56 -2.94 2.88 -0.00 -1.26 -4.84 117.38 105.60 1wi6 n GLN 123 Ca 0.06 0.05 -0.19 0.00 -0.00 0.00 0.00 57.00 56.92 1wi6 n GLN 123 Cb 0.58 -3.21 0.06 0.00 -0.00 0.00 0.00 30.24 27.67 1wi6 n GLN 123 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1wi6 n SER 124 N -1.26 2.07 -3.97 2.61 3.41 -1.22 -5.00 113.62 110.25 1wi6 n SER 124 Ca 0.04 -2.50 -0.09 0.00 -0.26 0.00 0.00 58.87 56.06 1wi6 n SER 124 Cb 0.33 -0.40 -0.10 0.00 -0.26 0.00 0.00 64.21 63.77 1wi6 n SER 124 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1wi6 s ARG 125 N -4.54 0.41 -0.15 4.33 0.52 -1.26 -2.41 118.95 115.85 1wi6 s ARG 125 Ca 0.58 -0.69 -0.07 0.00 -0.52 0.00 0.00 55.73 55.04 1wi6 s ARG 125 Cb -0.05 0.15 0.06 0.00 0.52 0.00 0.00 34.95 35.64 1wi6 s ARG 125 CO 0.37 -0.08 0.34 -1.17 0.02 0.00 0.00 175.30 174.78 1wi6 s LEU 126 N -1.74 -0.07 -1.46 2.53 2.96 -0.58 -4.89 118.68 115.42 1wi6 s LEU 126 Ca -0.11 0.76 -0.11 0.00 -0.22 0.00 0.00 54.13 54.45 1wi6 s LEU 126 Cb -0.06 1.07 0.06 0.00 0.50 0.00 0.00 46.19 47.77 1wi6 s LEU 126 CO -0.02 -0.20 0.79 0.54 -1.32 0.00 0.00 176.35 176.13 1wi6 n ARG 127 N 4.61 -4.97 -3.04 1.98 5.12 -1.26 -1.84 116.66 117.26 1wi6 n ARG 127 Ca -0.19 0.64 -0.13 0.00 -1.93 0.00 0.00 57.85 56.25 1wi6 n ARG 127 Cb 0.53 -5.49 0.07 0.00 -1.16 0.00 0.00 32.46 26.40 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 -4.31 -4.49 -3.73 5.56 1.02 -1.26 -5.04 120.64 108.38 1wi6 n GLU 128 Ca -0.00 0.64 -0.14 0.00 -0.02 0.00 0.00 57.16 57.64 1wi6 n GLU 128 Cb 0.55 -5.00 -0.09 0.00 -0.02 0.00 0.00 31.44 26.88 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 -4.88 0.63 -0.15 3.49 1.04 -0.77 -5.14 118.95 113.18 1wi6 s ARG 129 Ca 0.05 0.13 -0.29 0.00 -1.04 0.00 0.00 55.73 54.59 1wi6 s ARG 129 Cb -0.01 0.29 -0.01 0.00 -2.04 0.00 0.00 34.95 33.19 1wi6 s ARG 129 CO 0.55 -0.15 0.99 -2.00 -0.04 0.00 0.00 175.30 174.65 1wi6 s GLU 130 N -0.74 4.36 -0.15 3.89 2.56 -1.26 -1.53 118.70 125.82 1wi6 s GLU 130 Ca -0.08 1.32 -0.05 0.00 0.00 0.00 0.00 54.97 56.16 1wi6 s GLU 130 Cb -0.04 -3.57 -0.03 0.00 2.00 0.00 0.00 34.13 32.48 1wi6 s GLU 130 CO 0.03 -0.40 0.02 -0.51 -0.56 0.00 0.00 175.26 173.84 1wi6 s LEU 131 N 2.35 3.59 -0.21 2.70 1.43 -1.01 -4.94 118.68 122.59 1wi6 s LEU 131 Ca 0.45 0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 53.52 1wi6 s LEU 131 Cb -0.17 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1wi6 s LEU 131 CO 0.14 0.22 0.05 -0.44 0.23 0.00 0.00 176.35 176.55 1wi6 s SER 132 N 0.06 5.30 -0.03 2.29 0.01 -1.15 -3.98 113.70 116.20 1wi6 s SER 132 Ca 0.03 -0.07 0.04 0.00 1.31 0.00 0.00 55.95 57.26 1wi6 s SER 132 Cb -0.13 -1.92 -0.01 0.00 0.21 0.00 0.00 66.02 64.17 1wi6 s SER 132 CO 0.02 0.08 -0.15 -0.69 0.41 0.00 0.00 173.24 172.91 1wi6 s VAL 133 N 0.93 1.19 0.16 3.43 1.01 -1.26 -0.82 120.40 125.04 1wi6 s VAL 133 Ca 0.03 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 1wi6 s VAL 133 Cb -0.14 -1.02 0.04 0.00 0.00 0.00 0.00 36.38 35.26 1wi6 s VAL 133 CO 0.03 0.35 0.50 0.00 0.00 0.00 0.00 175.10 175.97 1wi6 s GLN 134 N -0.08 1.25 0.42 2.72 -2.07 -0.43 -4.83 119.66 116.63 1wi6 s GLN 134 Ca 0.00 -0.72 -0.26 0.00 -1.82 0.00 0.00 55.36 52.56 1wi6 s GLN 134 Cb -0.09 0.52 -0.09 0.00 -1.09 0.00 0.00 33.01 32.26 1wi6 s GLN 134 CO 0.01 -0.52 1.43 -0.51 -1.32 0.00 0.00 175.29 174.38 1wi6 s LEU 135 N -2.82 4.20 0.52 2.60 1.43 -1.26 -0.19 118.68 123.17 1wi6 s LEU 135 Ca 0.05 2.93 -0.22 0.00 -1.03 0.00 0.00 54.13 55.86 1wi6 s LEU 135 Cb 0.00 -3.83 -0.06 0.00 0.03 0.00 0.00 46.19 42.33 1wi6 s LEU 135 CO -0.08 -1.03 1.32 0.00 0.23 0.00 0.00 176.35 176.79 1wi6 s GLN 136 N -2.29 3.30 0.97 1.70 -2.07 -1.22 -4.66 119.66 115.39 1wi6 s GLN 136 Ca 0.57 2.14 -0.12 0.00 -1.82 0.00 0.00 55.36 56.13 1wi6 s GLN 136 Cb -0.44 -2.31 0.17 0.00 -1.09 0.00 0.00 33.01 29.35 1wi6 s GLN 136 CO 0.58 -1.03 1.09 -1.25 -1.32 0.00 0.00 175.29 173.36 1wi6 s PRO 137 N -2.84 0.63 0.16 9.60 0.04 -1.26 -4.96 135.00 136.36 1wi6 s PRO 137 Ca 0.69 0.59 -0.13 0.00 0.04 0.00 0.00 61.00 62.20 1wi6 s PRO 137 Cb -0.38 -1.75 0.04 0.00 0.04 0.00 0.00 34.50 32.45 1wi6 s PRO 137 CO 0.45 -2.62 1.69 1.79 0.04 0.00 0.00 177.00 178.35 1wi6 h THR 138 N -1.81 1.23 -3.84 1.26 1.35 -1.95 -3.44 112.91 105.72 1wi6 h THR 138 Ca -0.53 -0.77 -0.36 0.00 -0.55 0.00 0.00 66.41 64.20 1wi6 h THR 138 Cb 1.32 0.73 -0.30 0.00 -1.73 0.00 0.00 68.15 68.17 1wi6 h THR 138 CO 0.57 0.29 -0.76 -0.62 -0.25 0.00 0.00 175.52 174.74 1wi6 s ASP 139 N -6.10 0.76 -0.24 5.36 2.15 -1.26 -4.90 116.67 112.45 1wi6 s ASP 139 Ca -0.13 -0.11 0.17 0.00 0.43 0.00 0.00 52.55 52.90 1wi6 s ASP 139 Cb 0.12 -0.16 0.47 0.00 -0.30 0.00 0.00 42.92 43.06 1wi6 s ASP 139 CO 0.79 0.05 1.16 0.00 -0.17 0.00 0.00 175.17 176.99 1wi6 n ALA 140 N 3.18 3.52 -0.09 3.66 0.00 -1.26 -4.79 120.51 124.74 1wi6 n ALA 140 Ca -0.16 -3.13 -0.13 0.00 0.00 0.00 0.00 53.44 50.02 1wi6 n ALA 140 Cb 0.56 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 19.33 1wi6 n ALA 140 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wi6 h LEU 141 N 2.12 0.00 0.00 0.00 3.38 -1.96 -3.45 115.31 115.41 1wi6 h LEU 141 Ca 0.04 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1wi6 h LEU 141 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1wi6 h LEU 141 CO 0.36 1.12 -0.20 0.25 0.09 0.00 0.00 178.44 180.05 1wi6 h LEU 142 N -1.00 0.00 -9.32 1.67 6.46 -2.01 -3.46 115.31 107.66 1wi6 h LEU 142 Ca -0.17 0.00 -0.55 0.00 -0.12 0.00 0.00 57.88 57.04 1wi6 h LEU 142 Cb 0.90 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 1wi6 h LEU 142 CO -0.11 0.36 0.87 0.00 -0.62 0.00 0.00 178.44 178.94 1wi6 h SER 144 N 8.10 0.78 -1.92 0.00 4.64 -1.89 -3.42 113.55 119.84 1wi6 h SER 144 Ca -0.36 -0.24 -0.56 0.00 -0.47 0.00 0.00 61.79 60.16 1wi6 h SER 144 Cb 1.16 -0.20 -0.09 0.00 -0.31 0.00 0.00 62.40 62.96 1wi6 h SER 144 CO 0.92 0.82 -0.57 -0.83 -0.87 0.00 0.00 176.83 176.29 1wi6 s GLY 145 N -3.25 1.96 0.45 -0.77 0.00 -1.26 -5.01 107.32 99.44 1wi6 s GLY 145 Ca -0.13 -1.86 0.24 0.00 0.00 0.00 0.00 44.72 42.97 1wi6 s GLY 145 CO 0.80 -1.80 1.88 -0.56 0.00 0.00 0.00 173.10 173.41 1wi6 h PRO 146 N 1.66 0.00 -3.55 2.90 0.13 -1.92 -3.41 132.00 127.81 1wi6 h PRO 146 Ca -0.43 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.24 1wi6 h PRO 146 Cb 1.25 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.99 1wi6 h PRO 146 CO 0.64 0.23 -0.76 -1.12 -0.23 0.00 0.00 178.00 176.76 1wi6 s SER 147 N -6.24 2.02 0.49 1.44 0.01 -1.26 -5.05 113.70 105.11 1wi6 s SER 147 Ca -0.01 -0.35 0.05 0.00 1.31 0.00 0.00 55.95 56.95 1wi6 s SER 147 Cb 0.11 -0.44 -0.01 0.00 0.21 0.00 0.00 66.02 65.89 1wi6 s SER 147 CO 0.63 -0.25 0.19 -0.94 0.41 0.00 0.00 173.24 173.29 1wi6 s SER 148 N 1.97 4.38 0.00 2.44 1.04 -1.26 -5.12 113.70 117.15 1wi6 s SER 148 Ca 0.03 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.13 1wi6 s SER 148 Cb -0.14 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1wi6 s SER 148 CO -0.06 -0.83 0.34 0.61 0.98 0.00 0.00 173.24 174.27