#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dno s SER 60 N 0.00 -0.37 0.12 1.61 0.01 -1.26 -5.17 113.70 108.65 2dno s SER 60 Ca 0.00 0.98 -0.04 0.00 1.31 0.00 0.00 55.95 58.19 2dno s SER 60 Cb 0.00 1.16 -0.03 0.00 0.21 0.00 0.00 66.02 67.36 2dno s SER 60 CO 0.00 -0.22 0.13 -0.44 0.41 0.00 0.00 173.24 173.12 2dno s SER 61 N 2.17 0.24 0.00 2.44 0.01 -1.26 -5.16 113.70 112.14 2dno s SER 61 Ca -0.05 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.20 2dno s SER 61 Cb -0.11 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2dno s SER 61 CO -0.13 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.37 2dno n GLY 62 N -0.09 3.92 3.33 3.44 0.00 -1.26 -5.16 105.19 109.36 2dno n GLY 62 Ca -0.08 -1.69 -0.19 0.00 0.00 0.00 0.00 46.02 44.06 2dno n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dno s SER 63 N 0.00 1.59 -0.29 1.61 1.04 -1.26 -5.14 113.70 111.25 2dno s SER 63 Ca 0.00 -1.62 -0.01 0.00 0.48 0.00 0.00 55.95 54.80 2dno s SER 63 Cb 0.00 0.46 0.09 0.00 0.10 0.00 0.00 66.02 66.67 2dno s SER 63 CO 0.00 -0.95 0.08 -0.94 0.98 0.00 0.00 173.24 172.41 2dno s SER 64 N -3.38 3.92 -0.22 7.02 1.04 -1.26 -5.11 113.70 115.71 2dno s SER 64 Ca 0.36 -1.54 -0.08 0.00 0.48 0.00 0.00 55.95 55.18 2dno s SER 64 Cb 0.04 -0.89 -0.04 0.00 0.10 0.00 0.00 66.02 65.24 2dno s SER 64 CO 0.20 -0.39 0.08 -0.83 0.98 0.00 0.00 173.24 173.28 2dno s GLY 65 N 1.60 1.85 -0.42 7.32 0.00 -1.26 -5.06 107.32 111.35 2dno s GLY 65 Ca 0.08 -0.95 -0.08 0.00 0.00 0.00 0.00 44.72 43.77 2dno s GLY 65 CO -0.21 0.33 0.25 -0.45 0.00 0.00 0.00 173.10 173.01 2dno s SER 66 N 1.07 5.55 -0.35 1.64 0.15 -1.26 -5.04 113.70 115.45 2dno s SER 66 Ca 0.05 -1.60 0.01 0.00 0.70 0.00 0.00 55.95 55.11 2dno s SER 66 Cb -0.14 -1.95 0.10 0.00 -1.71 0.00 0.00 66.02 62.31 2dno s SER 66 CO 0.03 -0.54 0.09 -0.13 1.20 0.00 0.00 173.24 173.90 2dno s ARG 67 N 1.37 1.80 0.00 5.44 0.52 -1.26 -4.78 118.95 122.04 2dno s ARG 67 Ca 0.03 -1.77 0.00 0.00 -0.52 0.00 0.00 55.73 53.48 2dno s ARG 67 Cb -0.23 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 31.92 2dno s ARG 67 CO 0.01 -0.93 0.00 0.41 0.02 0.00 0.00 175.30 174.81 2dno n GLY 68 N 4.42 2.60 3.37 -3.53 0.00 -1.26 -4.87 105.19 105.91 2dno n GLY 68 Ca -0.01 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 2dno n GLY 68 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dno n GLU 69 N 0.00 -6.96 -3.25 1.61 1.02 -1.26 -4.97 120.64 106.83 2dno n GLU 69 Ca 0.00 0.77 -0.41 0.00 -0.02 0.00 0.00 57.16 57.50 2dno n GLU 69 Cb 0.00 -5.61 -0.08 0.00 -0.02 0.00 0.00 31.44 25.74 2dno n GLU 69 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2dno s ASP 70 N -3.59 6.33 0.01 1.62 1.01 -1.26 -4.94 116.67 115.86 2dno s ASP 70 Ca 0.37 0.11 -0.25 0.00 0.71 0.00 0.00 52.55 53.49 2dno s ASP 70 Cb -0.16 -2.27 -0.14 0.00 1.01 0.00 0.00 42.92 41.36 2dno s ASP 70 CO 0.67 -0.42 1.10 0.03 0.21 0.00 0.00 175.17 176.76 2dno h ARG 71 N 8.35 -0.87 -6.36 8.23 3.08 -1.93 -3.45 114.38 121.43 2dno h ARG 71 Ca -0.28 0.06 -0.61 0.00 0.07 0.00 0.00 59.98 59.21 2dno h ARG 71 Cb 1.13 0.20 0.13 0.00 0.08 0.00 0.00 29.97 31.51 2dno h ARG 71 CO 0.75 -0.58 -0.18 1.17 -1.07 0.00 0.00 179.97 180.06 2dno n LYS 72 N -5.13 0.84 -4.37 0.04 4.81 -1.26 -4.21 118.16 108.88 2dno n LYS 72 Ca -0.11 0.30 -0.24 0.00 -0.87 0.00 0.00 58.31 57.38 2dno n LYS 72 Cb 0.36 -1.60 -0.17 0.00 0.02 0.00 0.00 35.03 33.64 2dno n LYS 72 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2dno s LEU 73 N 1.24 1.49 -0.17 3.14 1.43 0.23 -3.65 118.68 122.40 2dno s LEU 73 Ca 0.62 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 53.15 2dno s LEU 73 Cb -0.68 -0.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.77 2dno s LEU 73 CO 0.58 -0.02 1.05 0.12 0.23 0.00 0.00 176.35 178.31 2dno s PHE 74 N 0.94 3.38 0.01 0.29 5.36 0.84 -1.42 117.98 127.38 2dno s PHE 74 Ca -0.10 1.49 0.05 0.00 -0.96 0.00 0.00 56.93 57.41 2dno s PHE 74 Cb -0.15 -3.26 -0.03 0.00 -0.34 0.00 0.00 43.02 39.25 2dno s PHE 74 CO 0.01 -0.48 -0.14 0.08 -1.46 0.00 0.00 175.22 173.23 2dno s VAL 75 N 2.69 3.08 0.22 3.12 1.01 -0.05 -1.59 120.40 128.89 2dno s VAL 75 Ca 0.47 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.55 2dno s VAL 75 Cb -0.17 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 2dno s VAL 75 CO 0.12 0.43 0.16 0.61 0.00 0.00 0.00 175.10 176.42 2dno n GLY 76 N 1.77 3.37 2.82 4.51 0.00 0.15 -1.92 105.19 115.89 2dno n GLY 76 Ca -0.16 -1.85 -0.21 0.00 0.00 0.00 0.00 46.02 43.80 2dno n GLY 76 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dno n MET 77 N -0.43 -3.99 -3.36 1.61 2.81 -1.09 -2.66 117.12 110.00 2dno n MET 77 Ca 0.03 0.88 -0.31 0.00 -1.81 0.00 0.00 57.70 56.48 2dno n MET 77 Cb 0.38 -5.59 -0.05 0.00 -0.71 0.00 0.00 33.22 27.25 2dno n MET 77 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2dno s LEU 78 N -6.15 4.13 0.07 4.03 1.43 -1.17 -4.67 118.68 116.34 2dno s LEU 78 Ca 0.23 0.92 0.08 0.00 -1.03 0.00 0.00 54.13 54.33 2dno s LEU 78 Cb -0.10 -3.70 -0.03 0.00 0.03 0.00 0.00 46.19 42.38 2dno s LEU 78 CO 0.28 -0.12 -0.21 -0.83 0.23 0.00 0.00 176.35 175.71 2dno s GLY 79 N -2.52 1.56 0.36 -3.19 0.00 -1.26 -4.37 107.32 97.90 2dno s GLY 79 Ca 0.47 -1.27 0.19 0.00 0.00 0.00 0.00 44.72 44.12 2dno s GLY 79 CO 0.23 -1.18 1.54 1.17 0.00 0.00 0.00 173.10 174.86 2dno n LYS 80 N 1.38 -0.06 -0.14 2.90 4.81 -1.26 0.74 118.16 126.54 2dno n LYS 80 Ca -0.16 1.36 -0.04 0.00 -0.87 0.00 0.00 58.31 58.59 2dno n LYS 80 Cb 0.52 -2.41 0.03 0.00 0.02 0.00 0.00 35.03 33.19 2dno n LYS 80 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2dno h GLN 81 N 0.00 0.03 -6.63 1.64 4.20 -1.95 -3.40 115.11 108.99 2dno h GLN 81 Ca 0.81 -0.00 -0.52 0.00 0.06 0.00 0.00 58.65 59.00 2dno h GLN 81 Cb 2.12 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 29.91 2dno h GLN 81 CO -0.76 0.02 0.53 -0.65 -0.67 0.00 0.00 178.83 177.30 2dno s GLN 82 N -6.21 4.51 0.46 1.46 1.11 0.23 -5.04 119.66 116.18 2dno s GLN 82 Ca -0.14 1.81 0.02 0.00 0.01 0.00 0.00 55.36 57.06 2dno s GLN 82 Cb 0.15 -3.27 -0.01 0.00 -1.01 0.00 0.00 33.01 28.87 2dno s GLN 82 CO 0.71 -0.06 0.08 -2.37 0.01 0.00 0.00 175.29 173.66 2dno n THR 83 N 2.69 0.00 -0.28 -0.19 5.66 -1.26 -4.70 114.28 116.20 2dno n THR 83 Ca 0.05 -2.41 0.05 0.00 -3.05 0.00 0.00 64.05 58.68 2dno n THR 83 Cb 0.45 0.68 0.19 0.00 -1.55 0.00 0.00 70.33 70.10 2dno n THR 83 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2dno h ASP 84 N 1.45 0.49 -0.67 1.09 3.58 -1.96 0.35 116.42 120.75 2dno h ASP 84 Ca -0.37 0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.18 2dno h ASP 84 Cb 1.26 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.27 2dno h ASP 84 CO 0.60 0.24 0.44 -0.33 -2.88 0.00 0.00 179.24 177.31 2dno h GLU 85 N 0.61 0.84 0.22 0.28 4.39 -1.98 -0.29 114.58 118.65 2dno h GLU 85 Ca 0.42 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.06 2dno h GLU 85 Cb 0.53 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2dno h GLU 85 CO -0.33 0.56 -0.10 -0.44 -1.16 0.00 0.00 179.01 177.53 2dno h ASP 86 N 0.87 -0.25 -0.75 1.42 3.32 -1.37 -2.29 116.42 117.38 2dno h ASP 86 Ca 0.25 0.01 0.17 0.00 0.02 0.00 0.00 57.03 57.48 2dno h ASP 86 Cb -0.03 0.06 -0.12 0.00 0.22 0.00 0.00 39.33 39.46 2dno h ASP 86 CO -0.06 -0.06 0.07 0.58 -1.72 0.00 0.00 179.24 178.05 2dno h VAL 87 N -0.53 0.40 0.36 -1.35 2.07 -1.23 0.94 116.25 116.90 2dno h VAL 87 Ca -0.03 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2dno h VAL 87 Cb 0.22 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2dno h VAL 87 CO 0.05 0.03 -0.25 -0.09 0.02 0.00 0.00 177.57 177.32 2dno h ARG 88 N 0.16 -0.56 0.00 1.57 2.43 -1.14 0.52 114.38 117.35 2dno h ARG 88 Ca 0.42 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.63 2dno h ARG 88 Cb 0.74 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2dno h ARG 88 CO -0.61 -0.37 -0.00 0.87 -1.51 0.00 0.00 179.97 178.35 2dno h LYS 89 N -0.58 0.00 0.00 0.20 1.57 -0.90 0.23 116.57 117.08 2dno h LYS 89 Ca -0.05 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 2dno h LYS 89 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2dno h LYS 89 CO 0.02 0.00 -0.69 1.98 -0.57 0.00 0.00 179.45 180.20 2dno h MET 90 N 0.00 0.00 0.00 3.15 4.05 0.15 -3.31 114.93 118.97 2dno h MET 90 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2dno h MET 90 Cb 0.06 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 2dno h MET 90 CO 0.00 0.17 -1.59 1.19 0.23 0.00 0.00 176.91 176.91 2dno n PHE 91 N -2.96 0.00 -0.29 1.39 3.01 0.17 -4.37 117.46 114.42 2dno n PHE 91 Ca -0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 2dno n PHE 91 Cb 0.64 -0.29 0.09 0.00 -0.01 0.00 0.00 39.48 39.91 2dno n PHE 91 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2dno h GLU 92 N 0.00 0.99 0.00 -1.08 5.08 -0.75 -1.91 114.58 116.91 2dno h GLU 92 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2dno h GLU 92 Cb 0.79 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2dno h GLU 92 CO 0.00 0.65 0.45 -1.35 -1.00 0.00 0.00 179.01 177.77 2dno h PRO 93 N 1.02 0.00 -0.13 2.33 0.11 -1.76 0.91 132.00 134.48 2dno h PRO 93 Ca 0.31 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.34 2dno h PRO 93 Cb -0.02 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.03 2dno h PRO 93 CO -0.10 0.00 -0.47 1.19 -0.21 0.00 0.00 178.00 178.40 2dno n PHE 94 N -1.98 0.45 0.00 0.65 3.72 -0.72 -5.06 117.46 114.53 2dno n PHE 94 Ca -0.01 -1.60 0.00 0.00 -0.05 0.00 0.00 57.45 55.79 2dno n PHE 94 Cb 0.47 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 2dno n PHE 94 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dno n GLY 95 N -1.08 1.77 3.58 1.37 0.00 0.32 -4.40 105.19 106.75 2dno n GLY 95 Ca 0.24 -2.06 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 2dno n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dno s THR 96 N -1.42 5.14 -0.08 2.61 2.01 -1.26 -4.06 115.64 118.58 2dno s THR 96 Ca 0.00 0.44 -0.30 0.00 0.31 0.00 0.00 61.69 62.14 2dno s THR 96 Cb 0.00 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 2dno s THR 96 CO 0.00 0.04 1.09 -0.63 -0.69 0.00 0.00 174.62 174.43 2dno s ILE 97 N 2.13 4.55 -0.18 1.82 1.01 -1.26 0.16 121.20 129.43 2dno s ILE 97 Ca 0.15 1.84 -0.22 0.00 0.00 0.00 0.00 60.65 62.43 2dno s ILE 97 Cb -0.16 -4.18 -0.22 0.00 0.01 0.00 0.00 42.46 37.91 2dno s ILE 97 CO 0.11 0.00 0.37 -0.78 0.00 0.00 0.00 174.94 174.64 2dno h ASP 98 N 7.24 0.05 -3.42 3.58 3.58 -0.28 -3.46 116.42 123.71 2dno h ASP 98 Ca -0.32 -0.66 -0.40 0.00 0.42 0.00 0.00 57.03 56.07 2dno h ASP 98 Cb 1.15 -0.02 -0.35 0.00 1.72 0.00 0.00 39.33 41.84 2dno h ASP 98 CO 0.87 1.42 -0.76 -1.61 -2.88 0.00 0.00 179.24 176.27 2dno s GLU 99 N -2.35 0.64 -0.23 0.28 0.41 -1.18 -5.02 118.70 111.25 2dno s GLU 99 Ca -0.26 -0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.30 2dno s GLU 99 Cb 0.04 -0.77 0.06 0.00 -1.78 0.00 0.00 34.13 31.68 2dno s GLU 99 CO 0.64 -0.14 -0.05 0.00 -0.49 0.00 0.00 175.26 175.22 2dno s THR 101 N 1.43 2.05 -0.05 0.00 2.01 -0.55 -5.03 115.64 115.50 2dno s THR 101 Ca -0.05 -1.19 0.06 0.00 0.31 0.00 0.00 61.69 60.81 2dno s THR 101 Cb -0.19 -1.72 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 2dno s THR 101 CO -0.06 0.50 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.45 2dno s VAL 102 N -0.67 2.36 -0.33 3.82 1.01 -1.26 -0.16 120.40 125.16 2dno s VAL 102 Ca 0.10 -0.97 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 2dno s VAL 102 Cb -0.10 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2dno s VAL 102 CO 0.00 0.57 0.80 -0.76 0.00 0.00 0.00 175.10 175.72 2dno s LEU 103 N -0.37 4.09 0.28 3.92 1.43 -0.76 -4.99 118.68 122.28 2dno s LEU 103 Ca 0.03 0.56 0.02 0.00 -1.03 0.00 0.00 54.13 53.71 2dno s LEU 103 Cb -0.12 -3.08 -0.06 0.00 0.03 0.00 0.00 46.19 42.96 2dno s LEU 103 CO 0.02 -0.68 0.08 -0.13 0.23 0.00 0.00 176.35 175.87 2dno s ARG 104 N 3.05 1.48 0.00 1.70 0.52 -1.26 -2.84 118.95 121.61 2dno s ARG 104 Ca 0.33 -1.81 0.00 0.00 -0.52 0.00 0.00 55.73 53.73 2dno s ARG 104 Cb -0.14 -0.46 0.00 0.00 0.52 0.00 0.00 34.95 34.88 2dno s ARG 104 CO 0.14 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.62 2dno n GLY 105 N -0.53 5.39 3.52 -3.53 0.00 -1.01 -4.90 105.19 104.13 2dno n GLY 105 Ca -0.01 -1.30 -0.49 0.00 0.00 0.00 0.00 46.02 44.22 2dno n GLY 105 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dno n PRO 106 N 0.00 0.74 -2.52 1.61 -0.02 -1.26 -0.87 135.00 132.69 2dno n PRO 106 Ca 0.00 0.26 -0.20 0.00 -2.02 0.00 0.00 63.50 61.54 2dno n PRO 106 Cb 0.00 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2dno n PRO 106 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2dno n ASP 107 N 1.77 -5.68 -4.25 2.55 2.03 -1.26 -2.50 116.55 109.21 2dno n ASP 107 Ca 0.15 -0.08 -0.35 0.00 0.52 0.00 0.00 54.79 55.03 2dno n ASP 107 Cb 0.24 -4.66 -0.05 0.00 -0.72 0.00 0.00 41.12 35.94 2dno n ASP 107 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dno n GLY 108 N -1.13 -0.35 3.62 0.27 0.00 -0.05 -4.88 105.19 102.67 2dno n GLY 108 Ca -0.20 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2dno n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dno s THR 109 N -3.55 4.82 -0.47 2.61 -4.23 -1.04 -4.82 115.64 108.96 2dno s THR 109 Ca 0.52 1.20 -0.26 0.00 -1.18 0.00 0.00 61.69 61.97 2dno s THR 109 Cb -0.29 -4.12 -0.06 0.00 1.34 0.00 0.00 72.50 69.37 2dno s THR 109 CO 0.95 -0.20 2.32 -0.55 -0.54 0.00 0.00 174.62 176.59 2dno s SER 110 N 1.58 4.67 0.56 3.99 0.15 -1.26 -2.40 113.70 120.99 2dno s SER 110 Ca 0.32 1.11 0.32 0.00 0.70 0.00 0.00 55.95 58.39 2dno s SER 110 Cb -0.14 -2.51 1.46 0.00 -1.71 0.00 0.00 66.02 63.12 2dno s SER 110 CO 0.12 -2.70 1.82 0.11 1.20 0.00 0.00 173.24 173.79 2dno h LYS 111 N 18.44 0.00 0.00 5.44 1.57 -1.87 -3.42 116.57 136.73 2dno h LYS 111 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2dno h LYS 111 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2dno h LYS 111 CO 1.14 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.43 2dno n GLY 112 N -1.66 1.71 3.51 3.86 0.00 -1.26 -4.96 105.19 106.38 2dno n GLY 112 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 2dno n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dno s ALA 114 N -1.77 -1.77 -0.15 0.00 0.00 -0.81 -1.82 121.76 115.44 2dno s ALA 114 Ca -0.06 1.14 -0.06 0.00 0.00 0.00 0.00 51.96 52.98 2dno s ALA 114 Cb -0.00 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2dno s ALA 114 CO 0.03 -0.49 0.04 -0.06 0.00 0.00 0.00 175.76 175.28 2dno s PHE 115 N -2.01 3.23 -0.09 0.00 0.08 0.77 -0.87 117.98 119.09 2dno s PHE 115 Ca -0.05 0.09 0.04 0.00 0.12 0.00 0.00 56.93 57.13 2dno s PHE 115 Cb -0.00 -1.98 0.00 0.00 -0.57 0.00 0.00 43.02 40.47 2dno s PHE 115 CO 0.01 0.26 -0.21 0.08 -0.10 0.00 0.00 175.22 175.26 2dno s VAL 116 N -0.06 1.82 -0.17 -0.44 1.01 -0.51 -1.49 120.40 120.57 2dno s VAL 116 Ca 0.05 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 2dno s VAL 116 Cb -0.12 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 2dno s VAL 116 CO 0.01 0.51 -0.09 -0.75 0.00 0.00 0.00 175.10 174.78 2dno s LYS 117 N 0.44 3.39 0.48 2.72 2.20 0.40 0.74 119.74 130.10 2dno s LYS 117 Ca -0.18 -0.66 0.01 0.00 -0.36 0.00 0.00 55.97 54.79 2dno s LYS 117 Cb -0.17 -2.79 0.01 0.00 -1.51 0.00 0.00 37.83 33.37 2dno s LYS 117 CO 0.07 0.05 0.69 -0.06 -0.36 0.00 0.00 175.35 175.74 2dno s PHE 118 N 0.81 3.09 0.29 4.03 0.08 -1.26 0.39 117.98 125.41 2dno s PHE 118 Ca -0.03 0.12 -0.01 0.00 0.12 0.00 0.00 56.93 57.12 2dno s PHE 118 Cb -0.15 -2.44 0.44 0.00 -0.57 0.00 0.00 43.02 40.30 2dno s PHE 118 CO 0.01 -0.51 1.90 0.37 -0.10 0.00 0.00 175.22 176.90 2dno h GLN 119 N 0.32 0.95 -3.50 0.44 4.15 0.13 -3.40 115.11 114.20 2dno h GLN 119 Ca -0.45 -0.12 -0.21 0.00 0.77 0.00 0.00 58.65 58.65 2dno h GLN 119 Cb 1.27 -0.18 -0.27 0.00 0.21 0.00 0.00 27.48 28.50 2dno h GLN 119 CO 0.55 0.72 -0.61 0.95 -1.93 0.00 0.00 178.83 178.51 2dno s THR 120 N -5.57 -0.00 0.22 2.39 -4.23 -1.26 -5.03 115.64 102.15 2dno s THR 120 Ca -0.11 0.01 -0.15 0.00 -1.18 0.00 0.00 61.69 60.27 2dno s THR 120 Cb 0.17 -0.14 0.26 0.00 1.34 0.00 0.00 72.50 74.12 2dno s THR 120 CO 0.79 0.00 1.45 1.57 -0.54 0.00 0.00 174.62 177.90 2dno n HIS 121 N 3.10 0.07 -0.07 3.99 -0.00 -1.26 -1.34 115.22 119.72 2dno n HIS 121 Ca -0.13 1.15 -0.02 0.00 -0.00 0.00 0.00 57.72 58.71 2dno n HIS 121 Cb 0.59 -0.88 -0.02 0.00 -0.00 0.00 0.00 29.99 29.68 2dno n HIS 121 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dno h ALA 122 N 1.37 -0.14 -0.82 1.57 0.00 -1.96 0.47 119.26 119.75 2dno h ALA 122 Ca 0.34 0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.43 2dno h ALA 122 Cb 0.58 1.03 -0.15 0.00 0.00 0.00 0.00 17.79 19.25 2dno h ALA 122 CO -0.93 -0.21 -0.23 0.39 0.00 0.00 0.00 179.25 178.27 2dno n GLU 123 N -3.39 -0.10 -0.03 0.00 1.02 -0.45 -0.29 120.64 117.40 2dno n GLU 123 Ca 0.00 1.27 -0.12 0.00 -0.02 0.00 0.00 57.16 58.29 2dno n GLU 123 Cb 0.05 -1.90 -0.08 0.00 -0.02 0.00 0.00 31.44 29.49 2dno n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dno h ALA 124 N 1.53 -0.80 -0.98 0.62 0.00 -0.80 -0.24 119.26 118.58 2dno h ALA 124 Ca 0.37 -0.04 0.31 0.00 0.00 0.00 0.00 54.91 55.55 2dno h ALA 124 Cb 0.57 0.97 -0.15 0.00 0.00 0.00 0.00 17.79 19.18 2dno h ALA 124 CO -0.84 -0.97 0.50 0.37 0.00 0.00 0.00 179.25 178.32 2dno h GLN 125 N -0.45 0.28 0.36 0.00 -0.00 -0.29 0.38 115.11 115.38 2dno h GLN 125 Ca 0.03 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2dno h GLN 125 Cb 0.55 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.94 2dno h GLN 125 CO -0.39 0.19 -0.38 0.00 0.00 0.00 0.00 178.83 178.25 2dno h ALA 126 N 1.85 -0.81 0.28 3.38 0.00 -0.64 -0.55 119.26 122.76 2dno h ALA 126 Ca 0.71 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.49 2dno h ALA 126 Cb 1.59 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.92 2dno h ALA 126 CO -0.63 -0.99 -0.20 0.00 0.00 0.00 0.00 179.25 177.43 2dno h ALA 127 N -0.33 -0.46 -0.32 0.00 0.00 -0.55 -3.08 119.26 114.52 2dno h ALA 127 Ca -0.02 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2dno h ALA 127 Cb 0.69 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 2dno h ALA 127 CO -0.07 -0.78 -0.49 0.82 0.00 0.00 0.00 179.25 178.73 2dno h ILE 128 N -0.48 0.06 -1.40 0.00 2.04 -1.08 1.92 117.51 118.58 2dno h ILE 128 Ca -0.02 0.00 0.46 0.00 1.00 0.00 0.00 64.86 66.30 2dno h ILE 128 Cb 0.41 0.06 -0.13 0.00 -0.74 0.00 0.00 36.82 36.43 2dno h ILE 128 CO 0.00 0.00 0.91 -1.13 0.00 0.00 0.00 178.15 177.94 2dno h ASN 129 N -0.42 0.20 0.00 1.72 -1.24 -1.01 0.23 115.58 115.06 2dno h ASN 129 Ca 0.09 0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.23 2dno h ASN 129 Cb 0.62 0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.79 2dno h ASN 129 CO -0.53 -0.19 0.00 0.41 -1.29 0.00 0.00 177.43 175.83 2dno n THR 130 N -4.63 0.00 -0.32 -3.57 -1.04 0.62 -4.56 114.28 100.77 2dno n THR 130 Ca 0.39 0.29 0.28 0.00 -2.04 0.00 0.00 64.05 62.97 2dno n THR 130 Cb 1.52 -1.27 0.49 0.00 -1.82 0.00 0.00 70.33 69.25 2dno n THR 130 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2dno n LEU 131 N -2.12 0.19 -4.66 -4.42 4.77 0.62 -3.78 117.00 107.61 2dno n LEU 131 Ca 0.00 1.11 -0.46 0.00 -0.03 0.00 0.00 56.01 56.62 2dno n LEU 131 Cb 0.00 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.50 2dno n LEU 131 CO 0.00 -1.22 1.56 1.57 -1.33 0.00 0.00 177.39 177.98 2dno n HIS 132 N -4.35 2.33 -4.14 -1.77 -0.00 0.80 -1.98 115.22 106.10 2dno n HIS 132 Ca 0.30 -0.10 -0.30 0.00 0.46 0.00 0.00 57.72 58.08 2dno n HIS 132 Cb 1.12 -2.70 -0.05 0.00 -0.12 0.00 0.00 29.99 28.24 2dno n HIS 132 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2dno n SER 133 N 7.37 -0.38 0.00 0.26 7.64 0.22 -4.89 113.62 123.84 2dno n SER 133 Ca 0.23 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 59.00 2dno n SER 133 Cb 0.33 -2.45 0.00 0.00 -1.01 0.00 0.00 64.21 61.08 2dno n SER 133 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dno n SER 134 N -2.88 0.00 -5.02 6.43 2.88 -0.84 -4.89 113.62 109.30 2dno n SER 134 Ca -0.24 0.08 -0.18 0.00 -1.33 0.00 0.00 58.87 57.20 2dno n SER 134 Cb 0.65 -0.46 0.04 0.00 -0.75 0.00 0.00 64.21 63.69 2dno n SER 134 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dno s ARG 135 N -0.92 2.54 -0.51 -1.46 1.70 -1.26 -4.89 118.95 114.16 2dno s ARG 135 Ca 0.00 -1.46 0.06 0.00 -0.47 0.00 0.00 55.73 53.85 2dno s ARG 135 Cb 0.00 -2.70 0.20 0.00 -0.57 0.00 0.00 34.95 31.89 2dno s ARG 135 CO 0.00 -0.59 0.48 2.41 -1.08 0.00 0.00 175.30 176.52 2dno n THR 136 N -2.06 0.09 -1.23 4.99 -1.04 -1.26 0.64 114.28 114.41 2dno n THR 136 Ca 0.12 -4.17 -0.41 0.00 -2.04 0.00 0.00 64.05 57.55 2dno n THR 136 Cb 0.60 -1.92 -0.02 0.00 -1.82 0.00 0.00 70.33 67.18 2dno n THR 136 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2dno n LEU 137 N 1.97 -1.55 -4.60 -4.42 4.77 -1.26 -4.70 117.00 107.20 2dno n LEU 137 Ca 0.25 0.93 -0.53 0.00 -0.03 0.00 0.00 56.01 56.64 2dno n LEU 137 Cb 0.45 -0.83 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 2dno n LEU 137 CO 0.20 -3.00 0.94 -2.65 -1.33 0.00 0.00 177.39 171.55 2dno n PRO 138 N 0.99 1.14 -2.86 3.23 -0.02 -1.26 -2.05 135.00 134.17 2dno n PRO 138 Ca 0.14 0.41 -0.09 0.00 -2.02 0.00 0.00 63.50 61.94 2dno n PRO 138 Cb 0.26 -2.06 0.04 0.00 -0.02 0.00 0.00 33.50 31.72 2dno n PRO 138 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dno n GLY 139 N 2.69 0.25 2.77 -1.23 0.00 -1.26 -4.83 105.19 103.58 2dno n GLY 139 Ca 0.19 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 2dno n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dno s ALA 140 N -3.14 1.20 0.00 4.61 0.00 -0.87 -4.93 121.76 118.62 2dno s ALA 140 Ca 0.18 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.30 2dno s ALA 140 Cb -0.08 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.81 2dno s ALA 140 CO 0.31 -1.19 0.44 -1.13 0.00 0.00 0.00 175.76 174.19 2dno n SER 141 N 4.97 0.00 -3.50 0.00 3.41 -1.26 -4.61 113.62 112.64 2dno n SER 141 Ca -0.09 0.44 -0.10 0.00 -0.26 0.00 0.00 58.87 58.85 2dno n SER 141 Cb 0.46 -0.14 0.03 0.00 -0.26 0.00 0.00 64.21 64.31 2dno n SER 141 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dno n SER 142 N -1.64 1.09 -4.84 4.04 2.88 -1.26 -5.10 113.62 108.80 2dno n SER 142 Ca 0.00 -1.79 -0.32 0.00 -1.33 0.00 0.00 58.87 55.43 2dno n SER 142 Cb 0.00 -0.21 -0.05 0.00 -0.75 0.00 0.00 64.21 63.20 2dno n SER 142 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dno s SER 143 N -2.83 6.72 -0.38 -3.46 1.04 -1.26 -4.73 113.70 108.80 2dno s SER 143 Ca 0.31 1.60 -0.35 0.00 0.48 0.00 0.00 55.95 57.99 2dno s SER 143 Cb -0.02 -2.52 -0.15 0.00 0.10 0.00 0.00 66.02 63.43 2dno s SER 143 CO 0.20 -0.51 1.42 -0.11 0.98 0.00 0.00 173.24 175.21 2dno n LEU 144 N -1.28 0.75 -4.49 2.42 7.94 0.21 -4.44 117.00 118.11 2dno n LEU 144 Ca 0.07 0.71 -0.43 0.00 -1.11 0.00 0.00 56.01 55.25 2dno n LEU 144 Cb 0.54 -0.68 -0.05 0.00 0.53 0.00 0.00 43.42 43.76 2dno n LEU 144 CO 0.43 -0.61 0.60 -0.69 -1.11 0.00 0.00 177.39 176.01 2dno s VAL 145 N 3.41 4.56 -0.16 1.96 1.01 -1.09 0.72 120.40 130.81 2dno s VAL 145 Ca 0.86 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.76 2dno s VAL 145 Cb -1.14 -4.47 0.01 0.00 0.00 0.00 0.00 36.38 30.78 2dno s VAL 145 CO 0.56 -1.04 -0.17 -0.69 0.00 0.00 0.00 175.10 173.76 2dno s VAL 146 N 3.47 2.40 0.21 2.92 1.01 -1.26 0.29 120.40 129.44 2dno s VAL 146 Ca 0.24 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 2dno s VAL 146 Cb -0.16 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.25 2dno s VAL 146 CO 0.15 0.52 0.55 -1.59 0.00 0.00 0.00 175.10 174.73 2dno s LYS 147 N 0.97 1.44 0.36 2.72 -2.85 -0.62 -4.43 119.74 117.34 2dno s LYS 147 Ca -0.03 -0.90 -0.28 0.00 -1.00 0.00 0.00 55.97 53.76 2dno s LYS 147 Cb -0.15 0.53 -0.10 0.00 -2.06 0.00 0.00 37.83 36.05 2dno s LYS 147 CO -0.04 -0.62 1.40 -0.06 0.10 0.00 0.00 175.35 176.14 2dno s PHE 148 N -3.89 2.78 -0.19 1.78 0.40 -1.26 -0.11 117.98 117.49 2dno s PHE 148 Ca 0.10 1.28 -0.13 0.00 -0.60 0.00 0.00 56.93 57.59 2dno s PHE 148 Cb -0.02 -3.86 -0.05 0.00 0.51 0.00 0.00 43.02 39.60 2dno s PHE 148 CO -0.01 -2.49 0.25 0.00 0.70 0.00 0.00 175.22 173.68 2dno s ALA 149 N -1.14 3.61 -0.34 5.36 0.00 -1.24 -4.54 121.76 123.47 2dno s ALA 149 Ca 0.52 -0.58 -0.20 0.00 0.00 0.00 0.00 51.96 51.70 2dno s ALA 149 Cb -0.43 -2.37 -0.00 0.00 0.00 0.00 0.00 23.12 20.32 2dno s ALA 149 CO 0.58 0.01 0.62 0.34 0.00 0.00 0.00 175.76 177.31 2dno s ASP 150 N 0.62 6.43 0.90 0.00 2.15 -1.26 -4.91 116.67 120.59 2dno s ASP 150 Ca 0.14 0.19 -0.10 0.00 0.43 0.00 0.00 52.55 53.21 2dno s ASP 150 Cb -0.13 -2.32 0.14 0.00 -0.30 0.00 0.00 42.92 40.31 2dno s ASP 150 CO 0.03 -0.55 1.14 0.28 -0.17 0.00 0.00 175.17 175.91 2dno s THR 151 N 2.64 2.16 -0.18 1.71 -1.32 -1.26 -5.00 115.64 114.39 2dno s THR 151 Ca 0.24 0.05 -0.09 0.00 -1.21 0.00 0.00 61.69 60.68 2dno s THR 151 Cb -0.15 -2.11 -0.05 0.00 -1.51 0.00 0.00 72.50 68.69 2dno s THR 151 CO 0.14 -0.07 0.12 -0.70 -2.21 0.00 0.00 174.62 171.90 2dno s GLU 152 N -4.67 3.97 -0.26 7.08 2.56 -1.26 -5.00 118.70 121.12 2dno s GLU 152 Ca 0.66 -0.22 -0.15 0.00 0.00 0.00 0.00 54.97 55.26 2dno s GLU 152 Cb -0.22 -3.33 -0.12 0.00 2.00 0.00 0.00 34.13 32.45 2dno s GLU 152 CO 0.58 0.42 -0.28 1.17 -0.56 0.00 0.00 175.26 176.58 2dno n LYS 153 N 3.14 0.58 -4.08 4.30 0.00 -1.26 -5.07 118.16 115.77 2dno n LYS 153 Ca -0.17 0.30 -0.13 0.00 0.00 0.00 0.00 58.31 58.31 2dno n LYS 153 Cb 0.53 -1.52 -0.05 0.00 0.00 0.00 0.00 35.03 33.98 2dno n LYS 153 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2dno s GLU 154 N -2.52 1.70 0.42 1.64 0.41 -1.26 -5.14 118.70 113.96 2dno s GLU 154 Ca -0.37 -1.59 -0.16 0.00 -0.41 0.00 0.00 54.97 52.44 2dno s GLU 154 Cb 0.13 0.43 -0.13 0.00 -1.78 0.00 0.00 34.13 32.77 2dno s GLU 154 CO 0.50 -0.69 -0.08 0.45 -0.49 0.00 0.00 175.26 174.94 2dno n SER 155 N -0.95 -3.08 0.00 -0.19 2.88 -1.26 -4.96 113.62 106.06 2dno n SER 155 Ca 0.00 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 2dno n SER 155 Cb 0.62 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 2dno n SER 155 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dno n GLY 156 N 2.14 1.00 3.56 0.46 0.00 -1.26 -4.69 105.19 106.40 2dno n GLY 156 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2dno n GLY 156 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dno s PRO 157 N 0.00 3.21 -1.01 1.61 0.04 -1.26 -4.92 135.00 132.67 2dno s PRO 157 Ca 0.00 -0.61 -0.25 0.00 0.04 0.00 0.00 61.00 60.18 2dno s PRO 157 Cb 0.00 -4.95 -0.15 0.00 0.04 0.00 0.00 34.50 29.43 2dno s PRO 157 CO 0.00 -2.47 2.13 0.45 0.04 0.00 0.00 177.00 177.15 2dno s SER 158 N 5.58 4.08 0.15 6.66 0.15 -1.26 -4.78 113.70 124.28 2dno s SER 158 Ca 0.50 -0.84 -0.27 0.00 0.70 0.00 0.00 55.95 56.04 2dno s SER 158 Cb -0.04 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2dno s SER 158 CO 0.00 -3.97 1.57 -1.28 1.20 0.00 0.00 173.24 170.77 2dno h SER 159 N 11.43 -1.42 0.00 5.45 0.87 -2.00 -3.55 113.55 124.33 2dno h SER 159 Ca 0.06 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2dno h SER 159 Cb 0.99 0.62 0.00 0.00 -0.44 0.00 0.00 62.40 63.57 2dno h SER 159 CO 1.08 -0.37 0.00 0.61 -0.53 0.00 0.00 176.83 177.62