#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rk8 s GLN 67 N 0.00 1.11 0.58 0.54 2.00 -0.46 -4.45 119.66 118.98 1rk8 s GLN 67 Ca 0.00 -0.14 -0.15 0.00 -2.00 0.00 0.00 55.36 53.07 1rk8 s GLN 67 Cb 0.00 -1.17 -0.05 0.00 0.80 0.00 0.00 33.01 32.59 1rk8 s GLN 67 CO 0.00 -0.17 1.03 -0.98 -0.50 0.00 0.00 175.29 174.67 1rk8 s ARG 68 N 1.37 3.51 0.58 1.67 1.70 -1.26 -4.52 118.95 122.00 1rk8 s ARG 68 Ca -0.03 1.07 -0.00 0.00 -0.47 0.00 0.00 55.73 56.30 1rk8 s ARG 68 Cb -0.14 -2.07 0.04 0.00 -0.57 0.00 0.00 34.95 32.22 1rk8 s ARG 68 CO -0.03 -0.65 0.83 -1.12 -1.08 0.00 0.00 175.30 173.25 1rk8 s SER 69 N -3.05 5.17 0.00 -2.89 0.01 -1.26 -4.98 113.70 106.70 1rk8 s SER 69 Ca 0.61 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.94 1rk8 s SER 69 Cb -0.14 -0.90 0.00 0.00 0.21 0.00 0.00 66.02 65.19 1rk8 s SER 69 CO 0.38 -1.24 0.00 0.52 0.41 0.00 0.00 173.24 173.30 1rk8 n VAL 70 N -2.46 0.00 0.00 3.43 0.31 -1.26 -4.80 118.33 113.55 1rk8 n VAL 70 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1rk8 n VAL 70 Cb 0.60 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 1rk8 n VAL 70 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rk8 n GLY 72 N 0.06 0.00 3.59 2.92 0.00 -1.26 -5.27 105.19 105.23 1rk8 n GLY 72 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1rk8 n GLY 72 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1rk8 s TRP 73 N 0.00 3.11 -0.10 1.61 0.51 -1.14 -4.75 118.94 118.18 1rk8 s TRP 73 Ca 0.00 -0.05 0.02 0.00 -2.12 0.00 0.00 56.10 53.95 1rk8 s TRP 73 Cb 0.00 -1.92 -0.02 0.00 -0.81 0.00 0.00 33.47 30.72 1rk8 s TRP 73 CO 0.00 0.18 -0.16 0.42 -0.51 0.00 0.00 176.95 176.88 1rk8 s ILE 74 N -0.07 2.81 0.08 2.03 1.01 -1.26 -2.10 121.20 123.69 1rk8 s ILE 74 Ca 0.03 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 59.95 1rk8 s ILE 74 Cb -0.13 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 1rk8 s ILE 74 CO 0.02 0.55 0.03 -0.76 0.00 0.00 0.00 174.94 174.79 1rk8 s LEU 75 N -0.00 3.62 -0.22 2.97 1.43 0.24 -1.62 118.68 125.10 1rk8 s LEU 75 Ca -0.05 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1rk8 s LEU 75 Cb -0.14 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.79 1rk8 s LEU 75 CO 0.04 0.18 -0.11 0.12 0.23 0.00 0.00 176.35 176.81 1rk8 s PHE 76 N -1.33 2.95 -0.17 0.29 5.36 0.12 -1.42 117.98 123.79 1rk8 s PHE 76 Ca 0.27 -1.52 -0.06 0.00 -0.96 0.00 0.00 56.93 54.66 1rk8 s PHE 76 Cb -0.12 -2.01 -0.04 0.00 -0.34 0.00 0.00 43.02 40.52 1rk8 s PHE 76 CO 0.19 -0.73 0.03 0.08 -1.46 0.00 0.00 175.22 173.33 1rk8 s VAL 77 N 1.33 4.52 0.35 3.12 1.01 0.40 -1.35 120.40 129.77 1rk8 s VAL 77 Ca 0.02 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1rk8 s VAL 77 Cb -0.15 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1rk8 s VAL 77 CO -0.08 0.48 0.07 0.42 0.00 0.00 0.00 175.10 175.99 1rk8 s THR 78 N 0.28 1.08 -1.07 3.92 -4.23 0.01 -0.82 115.64 114.80 1rk8 s THR 78 Ca 0.02 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.46 1rk8 s THR 78 Cb -0.13 -2.69 0.01 0.00 1.34 0.00 0.00 72.50 71.03 1rk8 s THR 78 CO 0.01 0.00 0.94 -0.24 -0.54 0.00 0.00 174.62 174.79 1rk8 n SER 79 N -0.83 -5.42 -4.76 3.99 2.88 -1.07 -1.39 113.62 107.03 1rk8 n SER 79 Ca -0.04 -0.43 -0.39 0.00 -1.33 0.00 0.00 58.87 56.69 1rk8 n SER 79 Cb 0.66 -4.09 -0.06 0.00 -0.75 0.00 0.00 64.21 59.98 1rk8 n SER 79 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1rk8 s ILE 80 N -3.25 4.95 0.26 2.46 1.01 -0.85 -4.25 121.20 121.52 1rk8 s ILE 80 Ca 0.46 1.23 -0.30 0.00 0.00 0.00 0.00 60.65 62.04 1rk8 s ILE 80 Cb -0.20 -3.93 -0.14 0.00 0.01 0.00 0.00 42.46 38.20 1rk8 s ILE 80 CO 0.58 0.40 1.21 1.57 0.00 0.00 0.00 174.94 178.70 1rk8 n HIS 81 N 2.87 1.73 0.24 3.97 -0.00 -1.26 -4.50 115.22 118.26 1rk8 n HIS 81 Ca -0.07 0.59 0.15 0.00 -0.00 0.00 0.00 57.72 58.40 1rk8 n HIS 81 Cb 0.51 -2.35 0.84 0.00 -0.00 0.00 0.00 29.99 28.99 1rk8 n HIS 81 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 1rk8 h GLU 82 N 3.06 0.00 -0.56 1.57 4.11 -1.96 -1.66 114.58 119.15 1rk8 h GLU 82 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1rk8 h GLU 82 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1rk8 h GLU 82 CO 0.68 0.00 0.00 0.39 0.07 0.00 0.00 179.01 180.15 1rk8 n GLU 83 N -3.93 4.05 -2.68 1.06 1.02 -1.26 -0.67 120.64 118.23 1rk8 n GLU 83 Ca -0.01 -2.96 -0.35 0.00 -0.02 0.00 0.00 57.16 53.83 1rk8 n GLU 83 Cb 0.21 -2.01 -0.05 0.00 -0.02 0.00 0.00 31.44 29.57 1rk8 n GLU 83 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rk8 s ALA 84 N -2.30 3.05 0.50 0.62 0.00 -0.63 -5.01 121.76 117.99 1rk8 s ALA 84 Ca 0.50 0.55 0.01 0.00 0.00 0.00 0.00 51.96 53.02 1rk8 s ALA 84 Cb 0.36 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 1rk8 s ALA 84 CO 0.19 -0.05 0.02 -0.65 0.00 0.00 0.00 175.76 175.28 1rk8 s GLN 85 N -2.79 2.17 0.45 0.00 -0.21 -1.26 -4.59 119.66 113.42 1rk8 s GLN 85 Ca 0.60 -2.38 0.14 0.00 0.02 0.00 0.00 55.36 53.73 1rk8 s GLN 85 Cb -0.16 -1.37 1.05 0.00 1.00 0.00 0.00 33.01 33.54 1rk8 s GLN 85 CO 0.20 -0.40 2.02 1.49 -2.12 0.00 0.00 175.29 176.48 1rk8 h GLU 86 N 1.40 0.35 0.00 2.91 4.81 -1.97 -0.96 114.58 121.12 1rk8 h GLU 86 Ca -0.42 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.76 1rk8 h GLU 86 Cb 1.31 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1rk8 h GLU 86 CO 0.71 0.23 -0.12 0.38 -0.73 0.00 0.00 179.01 179.47 1rk8 h ASP 87 N 0.36 0.00 -0.72 1.04 2.03 -1.98 -0.64 116.42 116.51 1rk8 h ASP 87 Ca 0.22 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.47 1rk8 h ASP 87 Cb 0.39 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.85 1rk8 h ASP 87 CO -0.05 0.12 0.27 -0.33 -1.03 0.00 0.00 179.24 178.23 1rk8 h GLU 88 N 0.00 1.10 -0.02 4.15 3.07 -1.56 -0.47 114.58 120.84 1rk8 h GLU 88 Ca -0.00 -0.20 -0.06 0.00 -0.50 0.00 0.00 59.36 58.60 1rk8 h GLU 88 Cb 0.29 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1rk8 h GLU 88 CO 0.02 0.91 -0.21 0.82 -1.40 0.00 0.00 179.01 179.15 1rk8 h ILE 89 N 1.07 1.50 -0.65 3.13 1.08 -1.31 -3.07 117.51 119.27 1rk8 h ILE 89 Ca 0.24 -1.77 0.02 0.00 -0.39 0.00 0.00 64.86 62.97 1rk8 h ILE 89 Cb 0.23 2.57 -0.04 0.00 -3.07 0.00 0.00 36.82 36.51 1rk8 h ILE 89 CO -0.02 0.49 0.41 -0.61 -0.69 0.00 0.00 178.15 177.72 1rk8 h GLN 90 N -0.42 0.78 0.00 2.37 4.15 -1.05 0.10 115.11 121.04 1rk8 h GLN 90 Ca -0.02 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.28 1rk8 h GLN 90 Cb 0.90 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.41 1rk8 h GLN 90 CO 0.04 0.52 -0.34 0.93 -1.93 0.00 0.00 178.83 178.04 1rk8 h GLU 91 N 0.80 0.00 0.17 1.69 5.08 -1.18 0.41 114.58 121.55 1rk8 h GLU 91 Ca 0.26 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.28 1rk8 h GLU 91 Cb -0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1rk8 h GLU 91 CO -0.09 0.34 -1.64 0.87 -1.00 0.00 0.00 179.01 177.49 1rk8 h LYS 92 N 0.00 0.36 0.00 2.33 1.79 -1.34 -3.40 116.57 116.32 1rk8 h LYS 92 Ca -0.00 -0.62 0.00 0.00 -2.18 0.00 0.00 60.65 57.85 1rk8 h LYS 92 Cb 0.65 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1rk8 h LYS 92 CO 0.04 1.26 -1.31 1.19 -1.08 0.00 0.00 179.45 179.55 1rk8 n PHE 93 N -3.56 0.34 0.26 -1.35 3.01 0.32 -4.43 117.46 112.05 1rk8 n PHE 93 Ca -0.21 0.10 0.11 0.00 1.01 0.00 0.00 57.45 58.46 1rk8 n PHE 93 Cb 1.07 -0.56 0.70 0.00 -0.01 0.00 0.00 39.48 40.68 1rk8 n PHE 93 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1rk8 h ASP 95 N 0.00 0.00 -0.36 0.00 3.32 -1.82 -3.15 116.42 114.41 1rk8 h ASP 95 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rk8 h ASP 95 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1rk8 h ASP 95 CO 0.01 0.25 0.00 -1.22 -1.72 0.00 0.00 179.24 176.57 1rk8 n TYR 96 N -4.14 0.90 0.00 4.55 4.02 -1.11 -5.01 117.16 116.38 1rk8 n TYR 96 Ca -0.02 -0.35 0.00 0.00 -0.01 0.00 0.00 57.90 57.52 1rk8 n TYR 96 Cb 0.31 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 1rk8 n TYR 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1rk8 n GLY 97 N 0.70 1.75 3.65 2.72 0.00 -1.19 -4.58 105.19 108.24 1rk8 n GLY 97 Ca 0.15 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 1rk8 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rk8 s GLU 98 N -1.33 4.20 -0.32 1.61 0.41 -1.26 -4.66 118.70 117.34 1rk8 s GLU 98 Ca 0.00 1.30 -0.24 0.00 -0.41 0.00 0.00 54.97 55.61 1rk8 s GLU 98 Cb 0.00 -3.68 0.01 0.00 -1.78 0.00 0.00 34.13 28.68 1rk8 s GLU 98 CO 0.00 -0.71 0.83 0.42 -0.49 0.00 0.00 175.26 175.31 1rk8 s ILE 99 N 3.36 4.73 0.04 -1.63 1.01 -1.26 -2.64 121.20 124.80 1rk8 s ILE 99 Ca 0.45 1.20 -0.15 0.00 0.00 0.00 0.00 60.65 62.14 1rk8 s ILE 99 Cb -0.15 -4.21 -0.33 0.00 0.01 0.00 0.00 42.46 37.79 1rk8 s ILE 99 CO 0.09 -0.33 1.05 0.07 0.00 0.00 0.00 174.94 175.82 1rk8 h LYS 100 N 8.21 0.59 -2.88 2.79 5.09 -0.13 -3.48 116.57 126.76 1rk8 h LYS 100 Ca -0.24 -0.89 -0.12 0.00 0.09 0.00 0.00 60.65 59.50 1rk8 h LYS 100 Cb 1.09 0.31 -0.21 0.00 0.10 0.00 0.00 32.23 33.52 1rk8 h LYS 100 CO 0.91 1.42 -0.23 -0.80 -2.09 0.00 0.00 179.45 178.66 1rk8 s ASN 101 N -7.52 -0.29 -0.07 7.07 0.01 -1.09 -5.00 114.94 108.06 1rk8 s ASN 101 Ca -0.09 0.33 -0.01 0.00 -0.71 0.00 0.00 52.86 52.37 1rk8 s ASN 101 Cb 0.05 0.46 0.03 0.00 0.41 0.00 0.00 41.25 42.20 1rk8 s ASN 101 CO 0.94 -0.38 0.01 -0.63 -1.51 0.00 0.00 177.10 175.53 1rk8 s ILE 102 N -0.90 0.33 -0.46 0.60 1.01 -1.26 -1.08 121.20 119.44 1rk8 s ILE 102 Ca -0.10 0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.71 1rk8 s ILE 102 Cb -0.04 -0.50 0.12 0.00 0.01 0.00 0.00 42.46 42.05 1rk8 s ILE 102 CO 0.04 0.25 0.22 -1.00 0.00 0.00 0.00 174.94 174.44 1rk8 s HIS 103 N 1.99 3.51 -0.81 3.97 3.76 -0.01 -4.97 115.29 122.73 1rk8 s HIS 103 Ca 0.05 -2.84 -0.12 0.00 -0.15 0.00 0.00 55.06 52.00 1rk8 s HIS 103 Cb -0.12 -3.03 0.21 0.00 1.11 0.00 0.00 32.58 30.75 1rk8 s HIS 103 CO -0.05 -0.88 0.74 -1.17 -0.85 0.00 0.00 174.74 172.52 1rk8 s LEU 104 N 0.48 6.50 0.19 0.89 2.96 -1.26 -1.50 118.68 126.94 1rk8 s LEU 104 Ca 0.13 -2.79 -0.30 0.00 -0.22 0.00 0.00 54.13 50.95 1rk8 s LEU 104 Cb -0.22 -2.15 -0.09 0.00 0.50 0.00 0.00 46.19 44.23 1rk8 s LEU 104 CO -0.04 -0.52 1.35 0.20 -1.32 0.00 0.00 176.35 176.02 1rk8 s ASN 105 N 1.85 6.84 0.23 3.68 0.01 -1.25 -4.92 114.94 121.38 1rk8 s ASN 105 Ca 0.19 2.43 -0.14 0.00 -0.71 0.00 0.00 52.86 54.62 1rk8 s ASN 105 Cb -0.11 -2.61 -0.08 0.00 0.41 0.00 0.00 41.25 38.86 1rk8 s ASN 105 CO -0.08 -0.58 0.64 -0.22 -1.51 0.00 0.00 177.10 175.34 1rk8 s LEU 106 N 0.11 4.22 -0.58 0.60 2.96 -1.26 -0.72 118.68 124.01 1rk8 s LEU 106 Ca 0.59 1.17 -0.20 0.00 -0.22 0.00 0.00 54.13 55.47 1rk8 s LEU 106 Cb -0.38 -3.67 0.08 0.00 0.50 0.00 0.00 46.19 42.72 1rk8 s LEU 106 CO 0.37 -0.04 0.75 -0.62 -1.32 0.00 0.00 176.35 175.48 1rk8 s ASP 107 N -2.02 6.20 0.35 3.68 -1.08 0.37 -4.69 116.67 119.49 1rk8 s ASP 107 Ca 0.46 -1.14 0.25 0.00 -0.52 0.00 0.00 52.55 51.60 1rk8 s ASP 107 Cb -0.13 -2.33 1.28 0.00 -1.46 0.00 0.00 42.92 40.28 1rk8 s ASP 107 CO 0.19 -1.12 1.76 0.03 0.52 0.00 0.00 175.17 176.55 1rk8 h ARG 108 N 9.21 0.00 0.09 4.34 3.08 -1.95 0.35 114.38 129.52 1rk8 h ARG 108 Ca -0.29 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.48 1rk8 h ARG 108 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1rk8 h ARG 108 CO 1.08 0.00 -1.41 -0.09 -1.07 0.00 0.00 179.97 178.48 1rk8 h ARG 109 N 0.00 0.20 0.00 0.04 2.43 -1.95 -3.39 114.38 111.71 1rk8 h ARG 109 Ca 0.00 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1rk8 h ARG 109 Cb 0.08 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1rk8 h ARG 109 CO 0.00 1.07 -1.38 0.25 -1.51 0.00 0.00 179.97 178.41 1rk8 n THR 110 N -3.42 0.00 -0.17 0.20 -2.24 -0.94 -5.00 114.28 102.71 1rk8 n THR 110 Ca -0.13 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1rk8 n THR 110 Cb 1.03 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1rk8 n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rk8 n GLY 111 N 1.79 1.72 3.91 3.38 0.00 0.12 -5.03 105.19 111.09 1rk8 n GLY 111 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1rk8 n GLY 111 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rk8 s PHE 112 N -2.84 3.18 0.29 1.61 0.08 -1.25 -4.78 117.98 114.27 1rk8 s PHE 112 Ca 0.00 0.70 -0.29 0.00 0.12 0.00 0.00 56.93 57.46 1rk8 s PHE 112 Cb 0.00 -2.95 -0.10 0.00 -0.57 0.00 0.00 43.02 39.40 1rk8 s PHE 112 CO 0.00 -1.08 1.11 -1.12 -0.10 0.00 0.00 175.22 174.02 1rk8 s SER 113 N -4.38 7.22 0.47 1.36 0.01 0.16 -0.48 113.70 118.06 1rk8 s SER 113 Ca 0.57 2.29 0.15 0.00 1.31 0.00 0.00 55.95 60.26 1rk8 s SER 113 Cb -0.11 -2.63 1.10 0.00 0.21 0.00 0.00 66.02 64.59 1rk8 s SER 113 CO 0.47 -0.18 2.04 0.50 0.41 0.00 0.00 173.24 176.49 1rk8 h LYS 114 N 3.74 0.00 0.00 12.44 1.63 -1.20 -3.43 116.57 129.76 1rk8 h LYS 114 Ca -0.47 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1rk8 h LYS 114 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1rk8 h LYS 114 CO 0.67 0.12 0.00 0.41 -3.45 0.00 0.00 179.45 177.20 1rk8 n GLY 115 N -1.17 0.80 3.22 5.01 0.00 -1.26 -5.01 105.19 106.77 1rk8 n GLY 115 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1rk8 n GLY 115 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rk8 s TYR 116 N -1.22 1.11 -0.05 1.61 -0.85 -1.26 -2.00 117.35 114.69 1rk8 s TYR 116 Ca 0.00 -1.01 -0.15 0.00 -0.52 0.00 0.00 57.07 55.40 1rk8 s TYR 116 Cb 0.00 -0.63 0.03 0.00 0.38 0.00 0.00 41.96 41.74 1rk8 s TYR 116 CO 0.00 -0.22 0.33 0.00 -1.52 0.00 0.00 175.55 174.15 1rk8 s ALA 117 N -3.68 -0.84 -0.15 9.51 0.00 -0.00 -3.75 121.76 122.85 1rk8 s ALA 117 Ca 0.21 0.56 -0.05 0.00 0.00 0.00 0.00 51.96 52.68 1rk8 s ALA 117 Cb 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1rk8 s ALA 117 CO 0.02 -0.24 0.01 -0.51 0.00 0.00 0.00 175.76 175.05 1rk8 s LEU 118 N -0.87 3.57 -0.12 0.00 1.02 -0.56 -0.45 118.68 121.26 1rk8 s LEU 118 Ca -0.09 0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.08 1rk8 s LEU 118 Cb -0.04 -1.87 0.02 0.00 0.02 0.00 0.00 46.19 44.32 1rk8 s LEU 118 CO 0.03 0.22 -0.10 -0.69 0.02 0.00 0.00 176.35 175.83 1rk8 s VAL 119 N 0.10 1.21 -0.21 -1.59 1.01 -0.51 -0.83 120.40 119.60 1rk8 s VAL 119 Ca 0.02 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 1rk8 s VAL 119 Cb -0.13 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 1rk8 s VAL 119 CO 0.02 0.40 -0.08 -0.70 0.00 0.00 0.00 175.10 174.74 1rk8 s GLU 120 N 1.54 3.32 0.37 2.72 2.12 -0.25 -0.59 118.70 127.94 1rk8 s GLU 120 Ca 0.03 -0.66 0.04 0.00 0.36 0.00 0.00 54.97 54.74 1rk8 s GLU 120 Cb -0.13 -2.91 -0.01 0.00 0.26 0.00 0.00 34.13 31.35 1rk8 s GLU 120 CO -0.08 -0.16 0.54 0.71 -0.54 0.00 0.00 175.26 175.73 1rk8 s TYR 121 N 1.34 3.15 0.20 5.30 1.51 -0.89 0.60 117.35 128.56 1rk8 s TYR 121 Ca 0.04 -0.07 -0.01 0.00 -1.01 0.00 0.00 57.07 56.03 1rk8 s TYR 121 Cb -0.14 -2.10 0.15 0.00 -0.11 0.00 0.00 41.96 39.76 1rk8 s TYR 121 CO -0.04 -0.13 1.52 1.49 -1.11 0.00 0.00 175.55 177.28 1rk8 h GLU 122 N 0.72 0.45 -5.37 -0.62 4.81 -1.83 -3.01 114.58 109.74 1rk8 h GLU 122 Ca -0.46 -0.29 -0.47 0.00 -0.13 0.00 0.00 59.36 58.01 1rk8 h GLU 122 Cb 1.26 0.04 -0.14 0.00 0.63 0.00 0.00 28.75 30.53 1rk8 h GLU 122 CO 0.54 0.90 -0.66 0.95 -0.73 0.00 0.00 179.01 180.01 1rk8 s THR 123 N -3.90 1.44 0.16 0.32 -4.23 -1.26 -4.57 115.64 103.59 1rk8 s THR 123 Ca -0.06 -2.08 -0.08 0.00 -1.18 0.00 0.00 61.69 58.29 1rk8 s THR 123 Cb 0.11 -2.50 -0.07 0.00 1.34 0.00 0.00 72.50 71.38 1rk8 s THR 123 CO 0.83 -0.24 1.46 -0.74 -0.54 0.00 0.00 174.62 175.38 1rk8 h HIS 124 N 2.28 0.93 -0.70 3.99 -0.00 -1.95 -2.72 115.15 116.98 1rk8 h HIS 124 Ca -0.40 -0.32 0.04 0.00 -0.00 0.00 0.00 60.37 59.69 1rk8 h HIS 124 Cb 1.23 -0.18 -0.05 0.00 -0.00 0.00 0.00 27.41 28.42 1rk8 h HIS 124 CO 0.64 1.11 0.43 0.87 -0.00 0.00 0.00 177.93 180.98 1rk8 h LYS 125 N 0.58 0.80 0.15 5.26 6.56 -1.98 0.81 116.57 128.74 1rk8 h LYS 125 Ca 0.02 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1rk8 h LYS 125 Cb 1.11 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.59 1rk8 h LYS 125 CO 0.11 0.53 -0.07 1.96 -2.06 0.00 0.00 179.45 179.92 1rk8 h GLN 126 N 0.83 -0.19 -0.89 3.15 4.20 -1.79 -0.84 115.11 119.58 1rk8 h GLN 126 Ca 0.29 0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.03 1rk8 h GLN 126 Cb 0.06 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 1rk8 h GLN 126 CO -0.13 -0.01 0.59 0.00 -0.67 0.00 0.00 178.83 178.61 1rk8 h ALA 127 N 0.49 1.15 -0.56 3.87 0.00 -1.15 -0.40 119.26 122.65 1rk8 h ALA 127 Ca -0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1rk8 h ALA 127 Cb 0.27 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1rk8 h ALA 127 CO 0.03 0.50 0.16 1.25 0.00 0.00 0.00 179.25 181.20 1rk8 h LEU 128 N 1.18 0.83 -0.50 0.00 5.85 -0.74 -0.55 115.31 121.37 1rk8 h LEU 128 Ca 0.34 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1rk8 h LEU 128 Cb -0.10 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 1rk8 h LEU 128 CO -0.09 0.83 0.20 0.00 -0.34 0.00 0.00 178.44 179.05 1rk8 h ALA 129 N 1.03 0.66 -0.24 1.25 0.00 -0.65 -1.53 119.26 119.79 1rk8 h ALA 129 Ca 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1rk8 h ALA 129 Cb 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1rk8 h ALA 129 CO -0.00 0.27 0.10 0.00 0.00 0.00 0.00 179.25 179.62 1rk8 h ALA 130 N 1.05 0.31 -0.52 0.00 0.00 -0.85 -1.93 119.26 117.31 1rk8 h ALA 130 Ca 0.17 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1rk8 h ALA 130 Cb 0.20 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1rk8 h ALA 130 CO -0.01 -0.11 0.31 -0.22 0.00 0.00 0.00 179.25 179.22 1rk8 h LYS 131 N 0.24 0.59 -0.48 0.00 3.64 -0.98 0.41 116.57 119.99 1rk8 h LYS 131 Ca 0.08 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 1rk8 h LYS 131 Cb 0.16 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1rk8 h LYS 131 CO -0.01 0.39 -0.08 0.93 -2.27 0.00 0.00 179.45 178.41 1rk8 h GLU 132 N 0.61 0.86 0.03 1.90 5.08 -1.16 -2.56 114.58 119.35 1rk8 h GLU 132 Ca 0.21 -0.29 -0.28 0.00 -1.00 0.00 0.00 59.36 58.01 1rk8 h GLU 132 Cb 0.04 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1rk8 h GLU 132 CO -0.10 0.92 -1.50 0.00 -1.00 0.00 0.00 179.01 177.32 1rk8 h ALA 133 N 1.12 0.53 0.00 3.43 0.00 -1.04 -3.39 119.26 119.91 1rk8 h ALA 133 Ca 0.13 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.80 1rk8 h ALA 133 Cb 0.59 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1rk8 h ALA 133 CO 0.04 1.39 -1.07 1.28 0.00 0.00 0.00 179.25 180.89 1rk8 n LEU 134 N -3.24 0.62 -4.67 0.00 4.77 0.14 -4.61 117.00 110.01 1rk8 n LEU 134 Ca -0.13 -0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.34 1rk8 n LEU 134 Cb 1.02 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 42.00 1rk8 n LEU 134 CO 0.47 0.07 1.29 0.21 -1.33 0.00 0.00 177.39 178.10 1rk8 s ASN 135 N -3.79 6.72 0.00 -1.43 2.47 -0.97 -1.18 114.94 116.77 1rk8 s ASN 135 Ca 0.04 2.17 0.00 0.00 0.42 0.00 0.00 52.86 55.49 1rk8 s ASN 135 Cb 0.15 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 1rk8 s ASN 135 CO 0.81 -0.87 0.00 0.61 -3.72 0.00 0.00 177.10 173.93 1rk8 n GLY 136 N 3.98 0.34 3.70 1.21 0.00 -0.47 -4.94 105.19 109.01 1rk8 n GLY 136 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1rk8 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rk8 s ALA 137 N -2.12 1.12 -0.05 4.61 0.00 -0.32 -4.68 121.76 120.33 1rk8 s ALA 137 Ca 0.00 -0.64 0.07 0.00 0.00 0.00 0.00 51.96 51.39 1rk8 s ALA 137 Cb 0.00 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 1rk8 s ALA 137 CO 0.00 -2.91 -0.25 -1.21 0.00 0.00 0.00 175.76 171.39 1rk8 s GLU 138 N -5.23 2.39 -0.19 0.00 2.02 -1.26 -0.90 118.70 115.53 1rk8 s GLU 138 Ca 0.67 -0.90 0.01 0.00 0.02 0.00 0.00 54.97 54.77 1rk8 s GLU 138 Cb -0.14 -2.10 0.03 0.00 0.10 0.00 0.00 34.13 32.01 1rk8 s GLU 138 CO 0.56 0.43 -0.18 0.42 0.02 0.00 0.00 175.26 176.51 1rk8 s ILE 139 N -0.28 1.98 -1.47 -1.63 1.01 -0.43 -4.67 121.20 115.70 1rk8 s ILE 139 Ca 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.56 1rk8 s ILE 139 Cb -0.13 -1.85 0.06 0.00 0.01 0.00 0.00 42.46 40.56 1rk8 s ILE 139 CO 0.02 0.44 1.00 0.23 0.00 0.00 0.00 174.94 176.63 1rk8 n MET 140 N 4.62 -5.95 -0.70 2.79 2.81 -1.26 -1.81 117.12 117.62 1rk8 n MET 140 Ca -0.19 0.65 0.00 0.00 -1.81 0.00 0.00 57.70 56.34 1rk8 n MET 140 Cb 0.49 -5.54 0.00 0.00 -0.71 0.00 0.00 33.22 27.46 1rk8 n MET 140 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rk8 n GLY 141 N -1.73 1.44 3.50 3.03 0.00 -1.26 -5.00 105.19 105.17 1rk8 n GLY 141 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1rk8 n GLY 141 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rk8 s GLN 142 N -0.05 3.48 0.05 1.61 0.74 -0.75 -5.03 119.66 119.71 1rk8 s GLN 142 Ca 0.00 -0.54 -0.31 0.00 0.05 0.00 0.00 55.36 54.56 1rk8 s GLN 142 Cb 0.00 -2.83 -0.07 0.00 1.10 0.00 0.00 33.01 31.22 1rk8 s GLN 142 CO 0.00 0.31 1.46 0.99 -0.55 0.00 0.00 175.29 177.51 1rk8 s THR 143 N 0.15 3.43 0.25 -0.34 2.01 -1.26 -1.31 115.64 118.57 1rk8 s THR 143 Ca -0.02 0.89 0.05 0.00 0.31 0.00 0.00 61.69 62.93 1rk8 s THR 143 Cb -0.14 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1rk8 s THR 143 CO 0.03 0.01 0.35 0.27 -0.69 0.00 0.00 174.62 174.59 1rk8 s ILE 144 N 2.15 5.03 -0.04 1.82 -4.36 -0.08 -4.75 121.20 120.97 1rk8 s ILE 144 Ca 0.67 -1.05 0.06 0.00 -0.26 0.00 0.00 60.65 60.07 1rk8 s ILE 144 Cb -0.35 -3.75 -0.02 0.00 1.25 0.00 0.00 42.46 39.59 1rk8 s ILE 144 CO 0.29 -0.32 -0.21 -1.10 0.24 0.00 0.00 174.94 173.84 1rk8 s GLN 145 N -3.98 2.37 -0.12 0.37 -1.52 -0.48 -1.37 119.66 114.93 1rk8 s GLN 145 Ca 0.35 -0.84 -0.00 0.00 -1.95 0.00 0.00 55.36 52.92 1rk8 s GLN 145 Cb -0.09 -2.20 0.03 0.00 -0.22 0.00 0.00 33.01 30.53 1rk8 s GLN 145 CO 0.29 0.54 -0.08 0.08 -0.25 0.00 0.00 175.29 175.87 1rk8 s VAL 146 N -0.54 1.05 0.27 1.09 1.01 -1.26 -0.81 120.40 121.21 1rk8 s VAL 146 Ca 0.07 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1rk8 s VAL 146 Cb -0.11 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 1rk8 s VAL 146 CO 0.01 0.36 0.10 -1.81 0.00 0.00 0.00 175.10 173.75 1rk8 s ASP 147 N 1.70 1.34 0.44 3.32 1.01 -0.46 -4.71 116.67 119.30 1rk8 s ASP 147 Ca 0.05 -1.40 -0.24 0.00 0.71 0.00 0.00 52.55 51.67 1rk8 s ASP 147 Cb -0.13 0.17 -0.08 0.00 1.01 0.00 0.00 42.92 43.89 1rk8 s ASP 147 CO -0.08 -0.74 1.16 0.26 0.21 0.00 0.00 175.17 175.98 1rk8 s TRP 148 N -3.70 2.97 -0.03 4.23 0.52 -1.26 0.15 118.94 121.81 1rk8 s TRP 148 Ca 0.37 1.55 -0.06 0.00 0.02 0.00 0.00 56.10 57.98 1rk8 s TRP 148 Cb 0.08 -3.37 -0.29 0.00 -1.15 0.00 0.00 33.47 28.74 1rk8 s TRP 148 CO 0.14 -1.38 0.72 0.00 0.02 0.00 0.00 176.95 176.45 1rk8 s PHE 150 N -2.59 2.06 0.29 0.00 0.40 -1.26 -4.97 117.98 111.90 1rk8 s PHE 150 Ca -0.13 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 55.81 1rk8 s PHE 150 Cb 0.06 -1.03 -0.05 0.00 0.51 0.00 0.00 43.02 42.52 1rk8 s PHE 150 CO 0.85 0.41 0.11 0.14 0.70 0.00 0.00 175.22 177.42 1rk8 s VAL 151 N -1.80 0.58 0.27 -0.44 -7.23 -1.26 -1.35 120.40 109.17 1rk8 s VAL 151 Ca 0.18 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.19 1rk8 s VAL 151 Cb -0.07 -2.61 -0.08 0.00 0.56 0.00 0.00 36.38 34.18 1rk8 s VAL 151 CO 0.08 0.00 0.70 -0.54 -0.31 0.00 0.00 175.10 175.03 1rk8 s LYS 152 N -3.95 4.06 0.00 4.82 1.02 -1.26 -4.64 119.74 119.79 1rk8 s LYS 152 Ca 0.36 0.68 0.00 0.00 0.02 0.00 0.00 55.97 57.03 1rk8 s LYS 152 Cb 0.07 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 1rk8 s LYS 152 CO 0.15 0.27 0.48 0.41 -0.92 0.00 0.00 175.35 175.74