#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 0.84 0.16 1.61 0.01 -1.26 -5.01 113.70 110.06 2dno s SER 60 Ca 0.00 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 55.78 2dno s SER 60 Cb 0.00 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.78 2dno s SER 60 CO 0.00 -1.10 0.00 -0.24 0.41 0.00 0.00 173.24 172.31 2dno n SER 61 N -1.06 0.41 -2.64 2.44 2.88 -1.26 -4.96 113.62 109.43 2dno n SER 61 Ca 0.03 0.25 -0.12 0.00 -1.33 0.00 0.00 58.87 57.70 2dno n SER 61 Cb 0.63 0.02 0.02 0.00 -0.75 0.00 0.00 64.21 64.13 2dno n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dno n GLY 62 N 2.52 2.27 2.99 0.46 0.00 -1.26 -5.07 105.19 107.10 2dno n GLY 62 Ca 0.00 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 2dno n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dno s SER 63 N -3.18 1.94 0.06 1.61 0.01 -1.26 -5.05 113.70 107.83 2dno s SER 63 Ca 0.31 -0.31 -0.38 0.00 1.31 0.00 0.00 55.95 56.88 2dno s SER 63 Cb 0.45 -0.85 -0.21 0.00 0.21 0.00 0.00 66.02 65.63 2dno s SER 63 CO 0.00 -0.02 1.57 0.28 0.41 0.00 0.00 173.24 175.49 2dno h SER 64 N 7.38 -1.16 -0.55 2.44 0.02 -2.04 -3.45 113.55 116.19 2dno h SER 64 Ca -0.31 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2dno h SER 64 Cb 1.17 0.31 0.00 0.00 0.14 0.00 0.00 62.40 64.01 2dno h SER 64 CO 0.46 -0.80 0.00 0.61 -1.14 0.00 0.00 176.83 175.95 2dno n GLY 65 N -1.66 1.60 3.92 -3.77 0.00 -1.26 -5.11 105.19 98.91 2dno n GLY 65 Ca -0.16 -1.87 -0.28 0.00 0.00 0.00 0.00 46.02 43.70 2dno n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dno s SER 66 N -1.00 4.12 0.64 1.61 1.04 -1.26 -5.06 113.70 113.78 2dno s SER 66 Ca 0.00 0.50 -0.11 0.00 0.48 0.00 0.00 55.95 56.82 2dno s SER 66 Cb 0.00 -0.87 -0.03 0.00 0.10 0.00 0.00 66.02 65.22 2dno s SER 66 CO 0.00 -2.11 1.04 -0.13 0.98 0.00 0.00 173.24 173.02 2dno s ARG 67 N -5.59 3.46 5.81 4.02 0.52 -1.26 -4.86 118.95 121.04 2dno s ARG 67 Ca 0.66 0.72 0.00 0.00 -0.52 0.00 0.00 55.73 56.59 2dno s ARG 67 Cb -0.08 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.32 2dno s ARG 67 CO 0.49 -0.67 0.00 0.41 0.02 0.00 0.00 175.30 175.56 2dno n GLY 68 N -2.75 2.83 3.24 -3.53 0.00 -1.26 -4.71 105.19 99.02 2dno n GLY 68 Ca 0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.67 2dno n GLY 68 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dno s GLU 69 N 0.00 0.48 -0.20 1.61 -1.05 -1.26 -5.13 118.70 113.14 2dno s GLU 69 Ca 0.00 1.02 0.01 0.00 -0.15 0.00 0.00 54.97 55.85 2dno s GLU 69 Cb 0.00 0.36 0.03 0.00 -0.44 0.00 0.00 34.13 34.09 2dno s GLU 69 CO 0.00 -0.45 -0.16 0.34 0.95 0.00 0.00 175.26 175.94 2dno s ASP 70 N 2.75 3.43 -0.06 0.83 2.15 -1.26 -5.03 116.67 119.48 2dno s ASP 70 Ca 0.08 -0.85 -0.05 0.00 0.43 0.00 0.00 52.55 52.17 2dno s ASP 70 Cb -0.14 -1.42 -0.03 0.00 -0.30 0.00 0.00 42.92 41.03 2dno s ASP 70 CO -0.18 -0.07 0.22 0.03 -0.17 0.00 0.00 175.17 175.00 2dno h ARG 71 N 7.92 -0.17 -6.36 4.34 2.47 -1.93 -3.46 114.38 117.20 2dno h ARG 71 Ca -0.36 0.01 -0.62 0.00 -1.26 0.00 0.00 59.98 57.75 2dno h ARG 71 Cb 1.11 0.04 0.11 0.00 -1.65 0.00 0.00 29.97 29.57 2dno h ARG 71 CO 0.56 -0.11 0.01 1.17 0.56 0.00 0.00 179.97 182.15 2dno n LYS 72 N -4.47 1.04 -4.32 0.04 4.81 -1.26 -4.13 118.16 109.88 2dno n LYS 72 Ca -0.02 0.37 -0.18 0.00 -0.87 0.00 0.00 58.31 57.60 2dno n LYS 72 Cb 0.07 -1.67 -0.10 0.00 0.02 0.00 0.00 35.03 33.34 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 1.00 2.52 -0.13 3.14 1.43 0.23 -2.90 118.68 123.97 2dno s LEU 73 Ca 0.61 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 2dno s LEU 73 Cb -0.77 -0.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 2dno s LEU 73 CO 0.58 -0.17 -0.15 0.12 0.23 0.00 0.00 176.35 176.96 2dno s PHE 74 N -2.82 2.78 0.11 0.29 2.19 0.43 -1.51 117.98 119.44 2dno s PHE 74 Ca 0.19 -0.78 0.11 0.00 0.33 0.00 0.00 56.93 56.78 2dno s PHE 74 Cb -0.01 -1.84 -0.04 0.00 -1.31 0.00 0.00 43.02 39.82 2dno s PHE 74 CO 0.05 -0.30 -0.27 0.08 1.83 0.00 0.00 175.22 176.62 2dno s VAL 75 N 0.47 2.24 0.00 3.12 1.01 0.31 -0.90 120.40 126.65 2dno s VAL 75 Ca -0.10 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.21 2dno s VAL 75 Cb -0.16 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.26 2dno s VAL 75 CO 0.05 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2dno n GLY 76 N 1.13 5.00 2.86 4.51 0.00 0.15 -1.40 105.19 117.44 2dno n GLY 76 Ca -0.18 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 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 0.00 -2.65 -2.52 1.61 2.81 -0.89 -3.75 117.12 111.73 2dno n MET 77 Ca 0.00 0.28 -0.27 0.00 -1.81 0.00 0.00 57.70 55.90 2dno n MET 77 Cb 0.00 -4.86 0.02 0.00 -0.71 0.00 0.00 33.22 27.66 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 -5.70 3.43 0.20 4.03 1.43 -1.15 -4.69 118.68 116.23 2dno s LEU 78 Ca 0.17 0.80 0.10 0.00 -1.03 0.00 0.00 54.13 54.17 2dno s LEU 78 Cb -0.09 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 2dno s LEU 78 CO 0.20 -0.83 -0.21 -0.83 0.23 0.00 0.00 176.35 174.91 2dno s GLY 79 N -4.21 1.63 0.22 -3.19 0.00 -1.26 -4.50 107.32 96.01 2dno s GLY 79 Ca 0.51 -1.63 -0.08 0.00 0.00 0.00 0.00 44.72 43.51 2dno s GLY 79 CO 0.45 -1.68 1.70 0.07 0.00 0.00 0.00 173.10 173.64 2dno h LYS 80 N 3.06 0.25 -0.44 2.90 2.10 -1.95 -1.98 116.57 120.52 2dno h LYS 80 Ca -0.44 -0.02 0.08 0.00 -2.00 0.00 0.00 60.65 58.27 2dno h LYS 80 Cb 1.22 -0.06 -0.10 0.00 -0.90 0.00 0.00 32.23 32.39 2dno h LYS 80 CO 0.51 0.17 -0.39 0.37 -2.00 0.00 0.00 179.45 178.11 2dno h GLN 81 N 0.26 -0.27 -6.92 0.07 5.75 -1.96 -3.40 115.11 108.65 2dno h GLN 81 Ca 0.35 0.02 -0.52 0.00 -0.15 0.00 0.00 58.65 58.35 2dno h GLN 81 Cb 0.55 0.06 0.07 0.00 1.07 0.00 0.00 27.48 29.23 2dno h GLN 81 CO -0.44 -0.18 0.60 -0.65 -2.65 0.00 0.00 178.83 175.50 2dno s GLN 82 N -5.92 4.15 0.31 1.69 -1.52 -0.75 -5.03 119.66 112.60 2dno s GLN 82 Ca -0.15 2.10 0.04 0.00 -1.95 0.00 0.00 55.36 55.41 2dno s GLN 82 Cb 0.13 -2.87 -0.03 0.00 -0.22 0.00 0.00 33.01 30.01 2dno s GLN 82 CO 0.67 -0.32 0.19 0.95 -0.25 0.00 0.00 175.29 176.52 2dno s THR 83 N -1.24 0.24 0.36 -0.19 -4.23 -1.26 -4.72 115.64 104.59 2dno s THR 83 Ca 0.54 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.23 2dno s THR 83 Cb -0.37 -2.49 0.35 0.00 1.34 0.00 0.00 72.50 71.33 2dno s THR 83 CO 0.48 0.00 1.63 0.44 -0.54 0.00 0.00 174.62 176.63 2dno h ASP 84 N 2.18 0.42 0.57 3.99 5.19 -1.95 0.02 116.42 126.84 2dno h ASP 84 Ca -0.32 0.22 -0.02 0.00 -0.62 0.00 0.00 57.03 56.29 2dno h ASP 84 Cb 1.25 0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.94 2dno h ASP 84 CO 0.48 -0.27 -0.39 -0.08 -3.12 0.00 0.00 179.24 175.86 2dno h GLU 85 N 0.17 -0.88 -0.04 3.56 4.81 -1.96 0.19 114.58 120.43 2dno h GLU 85 Ca 0.79 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 60.12 2dno h GLU 85 Cb 1.97 0.20 -0.05 0.00 0.63 0.00 0.00 28.75 31.50 2dno h GLU 85 CO -0.67 -0.59 -0.25 -0.44 -0.73 0.00 0.00 179.01 176.34 2dno h ASP 86 N -0.92 -0.75 -0.23 1.04 3.32 -1.45 -0.18 116.42 117.26 2dno h ASP 86 Ca -0.08 0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.14 2dno h ASP 86 Cb 0.75 0.31 -0.07 0.00 0.22 0.00 0.00 39.33 40.54 2dno h ASP 86 CO 0.05 -0.31 -0.24 0.58 -1.72 0.00 0.00 179.24 177.60 2dno h VAL 87 N -0.36 0.39 0.38 -1.35 2.07 -1.13 0.99 116.25 117.23 2dno h VAL 87 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 2dno h VAL 87 Cb 0.47 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2dno h VAL 87 CO -0.25 0.00 -0.34 -0.09 0.02 0.00 0.00 177.57 176.91 2dno h ARG 88 N -0.26 -0.68 -0.02 1.57 2.43 -0.25 0.52 114.38 117.70 2dno h ARG 88 Ca 0.13 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 2dno h ARG 88 Cb 0.46 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2dno h ARG 88 CO -0.38 -0.45 0.06 -0.22 -1.51 0.00 0.00 179.97 177.46 2dno h LYS 89 N -0.70 0.00 0.00 0.20 3.64 -0.86 0.44 116.57 119.29 2dno h LYS 89 Ca -0.05 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 2dno h LYS 89 Cb 0.60 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2dno h LYS 89 CO -0.02 0.00 -0.62 1.98 -2.27 0.00 0.00 179.45 178.52 2dno h MET 90 N 0.00 0.00 -0.01 1.90 4.05 0.20 -3.30 114.93 117.77 2dno h MET 90 Ca 0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2dno h MET 90 Cb 0.12 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 2dno h MET 90 CO -0.00 0.09 -0.52 1.19 0.23 0.00 0.00 176.91 177.90 2dno n PHE 91 N -2.92 0.00 -0.13 1.39 3.01 0.17 -4.45 117.46 114.54 2dno n PHE 91 Ca 0.01 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.35 2dno n PHE 91 Cb 0.60 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.05 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 1.12 0.79 0.00 -1.08 5.08 -0.35 -2.95 114.58 117.20 2dno h GLU 92 Ca 0.00 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2dno h GLU 92 Cb 0.50 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2dno h GLU 92 CO 0.00 0.96 0.46 -1.35 -1.00 0.00 0.00 179.01 178.08 2dno h PRO 93 N 0.59 0.00 -0.13 2.33 0.11 -1.78 0.92 132.00 134.04 2dno h PRO 93 Ca 0.09 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 2dno h PRO 93 Cb 0.72 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.77 2dno h PRO 93 CO 0.05 0.00 -0.47 1.19 -0.21 0.00 0.00 178.00 178.56 2dno n PHE 94 N -2.00 0.44 0.00 0.65 3.72 -1.11 -5.07 117.46 114.09 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 2.78 3.65 1.37 0.00 0.32 -4.40 105.19 107.84 2dno n GLY 95 Ca 0.24 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.91 5.07 -0.19 2.61 2.01 -1.26 -4.06 115.64 117.90 2dno s THR 96 Ca 0.00 1.00 -0.22 0.00 0.31 0.00 0.00 61.69 62.79 2dno s THR 96 Cb 0.00 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 2dno s THR 96 CO 0.00 0.14 0.67 -0.63 -0.69 0.00 0.00 174.62 174.11 2dno s ILE 97 N 1.86 4.99 -0.22 1.82 1.01 -1.26 0.48 121.20 129.88 2dno s ILE 97 Ca 0.25 1.27 -0.12 0.00 0.00 0.00 0.00 60.65 62.05 2dno s ILE 97 Cb -0.16 -3.98 -0.18 0.00 0.01 0.00 0.00 42.46 38.15 2dno s ILE 97 CO 0.10 0.09 0.00 0.47 0.00 0.00 0.00 174.94 175.60 2dno n ASP 98 N 5.10 1.97 -4.04 3.58 8.00 -0.78 -4.92 116.55 125.46 2dno n ASP 98 Ca -0.00 0.26 -0.28 0.00 0.71 0.00 0.00 54.79 55.47 2dno n ASP 98 Cb 0.49 -0.81 -0.17 0.00 -0.02 0.00 0.00 41.12 40.62 2dno n ASP 98 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2dno s GLU 99 N -2.47 2.16 -0.05 -1.24 2.56 -1.24 -5.02 118.70 113.38 2dno s GLU 99 Ca -0.32 -0.53 -0.02 0.00 0.00 0.00 0.00 54.97 54.10 2dno s GLU 99 Cb 0.09 -1.87 0.03 0.00 2.00 0.00 0.00 34.13 34.39 2dno s GLU 99 CO 0.60 -0.09 0.09 0.00 -0.56 0.00 0.00 175.26 175.30 2dno s THR 101 N 2.03 0.05 0.09 0.00 2.01 -0.89 -5.00 115.64 113.93 2dno s THR 101 Ca 0.02 -0.39 0.02 0.00 0.31 0.00 0.00 61.69 61.65 2dno s THR 101 Cb -0.12 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 2dno s THR 101 CO -0.04 -0.22 0.15 -0.69 -0.69 0.00 0.00 174.62 173.14 2dno s VAL 102 N -0.71 4.88 -0.19 3.82 1.01 -1.26 -0.71 120.40 127.25 2dno s VAL 102 Ca -0.08 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 2dno s VAL 102 Cb -0.05 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2dno s VAL 102 CO 0.01 0.07 0.07 -0.76 0.00 0.00 0.00 175.10 174.49 2dno s LEU 103 N -2.63 3.86 0.00 3.92 1.43 -0.76 -4.94 118.68 119.56 2dno s LEU 103 Ca 0.32 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.55 2dno s LEU 103 Cb -0.12 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 2dno s LEU 103 CO 0.25 0.17 0.12 0.54 0.23 0.00 0.00 176.35 177.66 2dno n ARG 104 N 3.58 0.50 0.00 1.70 1.74 -1.26 -3.05 116.66 119.87 2dno n ARG 104 Ca -0.16 -2.00 0.00 0.00 -0.77 0.00 0.00 57.85 54.91 2dno n ARG 104 Cb 0.52 1.34 0.00 0.00 -1.02 0.00 0.00 32.46 33.30 2dno n ARG 104 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dno n GLY 105 N 0.08 1.50 0.08 -0.13 0.00 -0.84 -4.83 105.19 101.05 2dno n GLY 105 Ca 0.00 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.16 2dno n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dno h PRO 106 N 0.00 0.07 -0.10 1.61 0.13 -2.03 -3.36 132.00 128.32 2dno h PRO 106 Ca 0.00 -0.08 -0.08 0.00 -0.87 0.00 0.00 66.00 64.97 2dno h PRO 106 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 2dno h PRO 106 CO 0.00 0.90 -0.27 -0.44 -0.23 0.00 0.00 178.00 177.96 2dno h ASP 107 N -0.74 0.40 0.00 1.44 3.32 -2.07 -3.47 116.42 115.30 2dno h ASP 107 Ca -0.02 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.44 2dno h ASP 107 Cb 0.95 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2dno h ASP 107 CO 0.02 0.93 0.00 0.61 -1.72 0.00 0.00 179.24 179.08 2dno n GLY 108 N 0.54 0.12 3.76 2.75 0.00 -1.26 -5.14 105.19 105.97 2dno n GLY 108 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.15 4.98 -0.80 2.61 -4.23 -1.26 -4.81 115.64 111.98 2dno s THR 109 Ca 0.00 1.14 -0.25 0.00 -1.18 0.00 0.00 61.69 61.39 2dno s THR 109 Cb 0.00 -3.88 -0.05 0.00 1.34 0.00 0.00 72.50 69.91 2dno s THR 109 CO 0.00 0.42 2.01 -0.55 -0.54 0.00 0.00 174.62 175.96 2dno s SER 110 N -0.14 4.97 0.35 3.99 0.15 -1.26 -1.99 113.70 119.77 2dno s SER 110 Ca 0.29 -0.24 0.16 0.00 0.70 0.00 0.00 55.95 56.86 2dno s SER 110 Cb -0.17 -2.55 1.12 0.00 -1.71 0.00 0.00 66.02 62.71 2dno s SER 110 CO 0.15 -2.82 1.67 0.11 1.20 0.00 0.00 173.24 173.56 2dno h LYS 111 N 12.81 0.31 0.00 5.44 1.79 -1.86 -3.43 116.57 131.62 2dno h LYS 111 Ca -0.02 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2dno h LYS 111 Cb 1.06 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 2dno h LYS 111 CO 1.18 0.20 0.00 0.41 -1.08 0.00 0.00 179.45 180.16 2dno n GLY 112 N -1.32 1.85 3.51 3.86 0.00 -1.26 -4.96 105.19 106.87 2dno n GLY 112 Ca 0.32 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.65 -0.91 -0.12 0.00 0.00 -0.49 -1.83 121.76 116.76 2dno s ALA 114 Ca -0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 51.96 51.72 2dno s ALA 114 Cb -0.00 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 2dno s ALA 114 CO 0.04 -0.71 0.01 -0.06 0.00 0.00 0.00 175.76 175.04 2dno s PHE 115 N -3.84 3.17 -0.08 0.00 0.08 0.12 -0.53 117.98 116.90 2dno s PHE 115 Ca 0.06 0.10 0.01 0.00 0.12 0.00 0.00 56.93 57.22 2dno s PHE 115 Cb 0.01 -1.88 0.02 0.00 -0.57 0.00 0.00 43.02 40.59 2dno s PHE 115 CO -0.08 0.33 -0.11 0.08 -0.10 0.00 0.00 175.22 175.34 2dno s VAL 116 N -0.43 1.16 -0.08 -0.44 1.01 -0.57 -2.09 120.40 118.96 2dno s VAL 116 Ca 0.08 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2dno s VAL 116 Cb -0.12 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 2dno s VAL 116 CO 0.02 0.37 -0.10 -0.75 0.00 0.00 0.00 175.10 174.64 2dno s LYS 117 N 0.98 2.84 0.42 2.72 2.20 0.13 0.78 119.74 129.81 2dno s LYS 117 Ca -0.08 -0.62 0.08 0.00 -0.36 0.00 0.00 55.97 54.98 2dno s LYS 117 Cb -0.15 -2.54 -0.02 0.00 -1.51 0.00 0.00 37.83 33.61 2dno s LYS 117 CO -0.00 0.54 0.37 -0.06 -0.36 0.00 0.00 175.35 175.84 2dno s PHE 118 N -0.49 2.71 0.11 4.03 0.40 -1.26 -1.86 117.98 121.62 2dno s PHE 118 Ca 0.07 -0.50 -0.13 0.00 -0.60 0.00 0.00 56.93 55.77 2dno s PHE 118 Cb -0.12 -2.17 -0.08 0.00 0.51 0.00 0.00 43.02 41.16 2dno s PHE 118 CO 0.02 -0.11 1.42 0.37 0.70 0.00 0.00 175.22 177.62 2dno h GLN 119 N 1.04 0.81 -4.23 0.44 5.75 -0.33 -3.42 115.11 115.17 2dno h GLN 119 Ca -0.41 -0.46 -0.34 0.00 -0.15 0.00 0.00 58.65 57.29 2dno h GLN 119 Cb 1.27 0.03 -0.30 0.00 1.07 0.00 0.00 27.48 29.55 2dno h GLN 119 CO 0.58 1.09 -0.76 0.95 -2.65 0.00 0.00 178.83 178.04 2dno s THR 120 N -4.28 0.42 0.16 2.39 -4.23 -1.26 -5.05 115.64 103.79 2dno s THR 120 Ca -0.12 -0.19 -0.22 0.00 -1.18 0.00 0.00 61.69 59.99 2dno s THR 120 Cb 0.10 -0.38 0.04 0.00 1.34 0.00 0.00 72.50 73.60 2dno s THR 120 CO 0.86 0.14 1.33 1.57 -0.54 0.00 0.00 174.62 177.98 2dno n HIS 121 N 3.20 -0.22 -0.09 3.99 -0.00 -1.26 -1.18 115.22 119.66 2dno n HIS 121 Ca -0.16 1.07 -0.04 0.00 -0.00 0.00 0.00 57.72 58.60 2dno n HIS 121 Cb 0.56 -0.67 -0.03 0.00 -0.00 0.00 0.00 29.99 29.86 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 0.72 -0.29 -0.91 1.57 0.00 -1.96 0.21 119.26 118.60 2dno h ALA 122 Ca 0.20 0.02 0.35 0.00 0.00 0.00 0.00 54.91 55.48 2dno h ALA 122 Cb 0.42 0.99 -0.16 0.00 0.00 0.00 0.00 17.79 19.03 2dno h ALA 122 CO -0.83 -0.39 0.38 0.39 0.00 0.00 0.00 179.25 178.80 2dno n GLU 123 N -3.59 -0.06 0.32 0.00 -0.58 -0.33 -0.35 120.64 116.05 2dno n GLU 123 Ca -0.00 1.28 -0.15 0.00 -0.42 0.00 0.00 57.16 57.86 2dno n GLU 123 Cb 0.09 -2.23 -0.08 0.00 -0.57 0.00 0.00 31.44 28.65 2dno n GLU 123 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dno h ALA 124 N 1.82 -1.17 -0.91 0.62 0.00 -0.24 -3.06 119.26 116.32 2dno h ALA 124 Ca 0.72 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.57 2dno h ALA 124 Cb 1.83 0.53 -0.14 0.00 0.00 0.00 0.00 17.79 20.01 2dno h ALA 124 CO -0.74 -1.15 -0.44 0.37 0.00 0.00 0.00 179.25 177.29 2dno h GLN 125 N -0.92 -0.05 -0.58 0.00 5.75 -0.28 -1.10 115.11 117.94 2dno h GLN 125 Ca -0.08 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.48 2dno h GLN 125 Cb 0.75 0.01 -0.07 0.00 1.07 0.00 0.00 27.48 29.24 2dno h GLN 125 CO 0.06 -0.03 -0.34 0.00 -2.65 0.00 0.00 178.83 175.86 2dno n ALA 126 N -3.35 -0.37 -0.01 3.38 0.00 -1.05 -0.93 120.51 118.18 2dno n ALA 126 Ca 0.07 0.49 -0.03 0.00 0.00 0.00 0.00 53.44 53.97 2dno n ALA 126 Cb 0.36 0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.82 2dno n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dno h ALA 127 N 0.06 -0.47 -0.95 0.00 0.00 -1.18 -2.59 119.26 114.12 2dno h ALA 127 Ca 0.09 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.09 2dno h ALA 127 Cb 0.24 0.72 -0.12 0.00 0.00 0.00 0.00 17.79 18.62 2dno h ALA 127 CO -0.54 -0.52 -0.54 -0.89 0.00 0.00 0.00 179.25 176.76 2dno n ILE 128 N -3.20 -0.63 -0.31 0.00 5.41 -0.59 0.12 119.36 120.17 2dno n ILE 128 Ca -0.01 2.29 0.29 0.00 1.00 0.00 0.00 62.75 66.32 2dno n ILE 128 Cb 0.07 -2.85 0.51 0.00 -0.71 0.00 0.00 39.64 36.67 2dno n ILE 128 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2dno n ASN 129 N -5.21 0.24 0.00 4.38 2.85 -0.10 -0.14 115.26 117.28 2dno n ASN 129 Ca 0.03 1.28 0.00 0.00 -0.11 0.00 0.00 54.58 55.78 2dno n ASN 129 Cb 0.26 -0.63 0.00 0.00 1.24 0.00 0.00 39.78 40.66 2dno n ASN 129 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 2dno n THR 130 N -4.66 0.00 -0.35 -0.44 -1.04 0.27 -4.60 114.28 103.45 2dno n THR 130 Ca 0.32 0.28 0.30 0.00 -2.04 0.00 0.00 64.05 62.90 2dno n THR 130 Cb 1.15 -1.24 0.50 0.00 -1.82 0.00 0.00 70.33 68.91 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 -2.24 0.14 -4.50 -4.42 4.77 0.32 -3.47 117.00 107.60 2dno n LEU 131 Ca 0.00 0.98 -0.49 0.00 -0.03 0.00 0.00 56.01 56.47 2dno n LEU 131 Cb 0.00 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.55 2dno n LEU 131 CO 0.00 -1.06 1.78 1.57 -1.33 0.00 0.00 177.39 178.36 2dno n HIS 132 N -4.07 1.75 -2.47 -1.77 -0.00 0.80 -0.65 115.22 108.82 2dno n HIS 132 Ca 0.29 0.16 -0.14 0.00 0.46 0.00 0.00 57.72 58.50 2dno n HIS 132 Cb 1.15 -2.59 -0.01 0.00 -0.12 0.00 0.00 29.99 28.43 2dno n HIS 132 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2dno n SER 133 N 9.97 -4.17 0.00 0.26 3.41 0.93 -4.89 113.62 119.12 2dno n SER 133 Ca 0.37 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 2dno n SER 133 Cb 0.28 -3.53 0.00 0.00 -0.26 0.00 0.00 64.21 60.70 2dno n SER 133 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dno n SER 134 N -1.85 0.00 -5.01 4.04 3.41 0.17 -4.69 113.62 109.69 2dno n SER 134 Ca -0.16 0.53 -0.18 0.00 -0.26 0.00 0.00 58.87 58.81 2dno n SER 134 Cb 0.62 -0.29 0.02 0.00 -0.26 0.00 0.00 64.21 64.30 2dno n SER 134 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dno s ARG 135 N -1.33 2.73 -0.64 4.33 1.70 -1.26 -4.87 118.95 119.60 2dno s ARG 135 Ca 0.00 -1.31 0.05 0.00 -0.47 0.00 0.00 55.73 54.00 2dno s ARG 135 Cb 0.00 -2.74 0.17 0.00 -0.57 0.00 0.00 34.95 31.81 2dno s ARG 135 CO 0.00 -0.38 0.46 0.99 -1.08 0.00 0.00 175.30 175.29 2dno s THR 136 N -2.41 2.35 0.26 4.99 2.01 -1.26 0.00 115.64 121.58 2dno s THR 136 Ca 0.56 -3.95 -0.20 0.00 0.31 0.00 0.00 61.69 58.42 2dno s THR 136 Cb -0.09 -2.55 -0.13 0.00 0.01 0.00 0.00 72.50 69.73 2dno s THR 136 CO 0.34 -1.06 0.22 0.18 -0.69 0.00 0.00 174.62 173.61 2dno n LEU 137 N 2.14 -1.79 -4.60 4.42 4.77 -1.26 -4.68 117.00 115.99 2dno n LEU 137 Ca 0.22 0.77 -0.54 0.00 -0.03 0.00 0.00 56.01 56.43 2dno n LEU 137 Cb 0.38 -0.74 -0.06 0.00 -2.33 0.00 0.00 43.42 40.66 2dno n LEU 137 CO 0.23 -3.01 0.94 -2.65 -1.33 0.00 0.00 177.39 171.57 2dno n PRO 138 N 0.98 1.03 -3.14 3.23 -0.02 -1.26 -2.41 135.00 133.41 2dno n PRO 138 Ca 0.11 0.37 -0.14 0.00 -2.02 0.00 0.00 63.50 61.83 2dno n PRO 138 Cb 0.27 -2.01 0.07 0.00 -0.02 0.00 0.00 33.50 31.82 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 -0.71 2.61 -1.23 0.00 -1.26 -4.88 105.19 102.41 2dno n GLY 139 Ca 0.20 0.34 -0.26 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.34 0.42 0.00 4.61 0.00 -1.01 -4.94 121.76 117.50 2dno s ALA 140 Ca 0.27 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.93 2dno s ALA 140 Cb -0.03 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 22.06 2dno s ALA 140 CO 0.66 -1.16 0.43 0.45 0.00 0.00 0.00 175.76 176.14 2dno n SER 141 N 5.28 0.00 -4.66 0.00 2.88 -1.26 -4.59 113.62 111.27 2dno n SER 141 Ca -0.07 0.43 -0.19 0.00 -1.33 0.00 0.00 58.87 57.71 2dno n SER 141 Cb 0.49 -0.13 0.08 0.00 -0.75 0.00 0.00 64.21 63.89 2dno n SER 141 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dno n SER 142 N -1.60 1.80 -4.08 -3.46 7.64 -1.26 -5.11 113.62 107.55 2dno n SER 142 Ca 0.00 -2.35 -0.30 0.00 1.01 0.00 0.00 58.87 57.23 2dno n SER 142 Cb 0.00 -0.45 0.20 0.00 -1.01 0.00 0.00 64.21 62.95 2dno n SER 142 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dno s SER 143 N -4.48 2.22 -0.84 6.43 0.01 -1.26 -4.73 113.70 111.05 2dno s SER 143 Ca 0.58 0.51 -0.26 0.00 1.31 0.00 0.00 55.95 58.09 2dno s SER 143 Cb -0.04 -0.70 -0.13 0.00 0.21 0.00 0.00 66.02 65.36 2dno s SER 143 CO 0.38 -3.31 2.31 -0.22 0.41 0.00 0.00 173.24 172.81 2dno s LEU 144 N -6.36 2.87 0.00 2.44 2.96 0.10 -4.66 118.68 116.03 2dno s LEU 144 Ca 0.71 -0.17 -0.30 0.00 -0.22 0.00 0.00 54.13 54.16 2dno s LEU 144 Cb -0.08 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.99 2dno s LEU 144 CO 0.54 -3.78 1.66 -0.69 -1.32 0.00 0.00 176.35 172.77 2dno s VAL 145 N 14.24 3.35 -0.02 1.68 1.01 -1.25 -0.05 120.40 139.37 2dno s VAL 145 Ca 0.88 0.59 0.02 0.00 0.00 0.00 0.00 61.98 63.47 2dno s VAL 145 Cb -0.11 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.89 2dno s VAL 145 CO 0.07 -0.03 -0.06 -0.69 0.00 0.00 0.00 175.10 174.39 2dno s VAL 146 N 3.48 0.53 -0.20 2.92 1.01 -1.26 0.31 120.40 127.20 2dno s VAL 146 Ca 0.74 -0.24 -0.28 0.00 0.00 0.00 0.00 61.98 62.21 2dno s VAL 146 Cb -0.36 -0.48 0.11 0.00 0.00 0.00 0.00 36.38 35.64 2dno s VAL 146 CO 0.31 0.17 0.92 -1.59 0.00 0.00 0.00 175.10 174.92 2dno s LYS 147 N 0.18 0.67 0.90 2.72 -2.85 -0.08 -4.71 119.74 116.58 2dno s LYS 147 Ca -0.02 0.43 -0.17 0.00 -1.00 0.00 0.00 55.97 55.21 2dno s LYS 147 Cb -0.06 0.32 -0.15 0.00 -2.06 0.00 0.00 37.83 35.88 2dno s LYS 147 CO -0.00 -0.15 -0.67 1.19 0.10 0.00 0.00 175.35 175.81 2dno n PHE 148 N 1.54 -4.78 -3.88 1.78 3.72 -1.26 -0.43 117.46 114.15 2dno n PHE 148 Ca -0.13 0.06 -0.30 0.00 -0.05 0.00 0.00 57.45 57.03 2dno n PHE 148 Cb 0.57 -1.48 -0.14 0.00 -0.94 0.00 0.00 39.48 37.49 2dno n PHE 148 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dno s ALA 149 N -2.00 2.81 -0.12 4.37 0.00 -1.14 -4.23 121.76 121.46 2dno s ALA 149 Ca 0.43 -2.90 -0.13 0.00 0.00 0.00 0.00 51.96 49.37 2dno s ALA 149 Cb -0.24 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 2dno s ALA 149 CO 0.80 -1.97 0.30 0.34 0.00 0.00 0.00 175.76 175.22 2dno s ASP 150 N 0.15 6.52 0.00 0.00 2.15 -1.26 -4.82 116.67 119.41 2dno s ASP 150 Ca 0.16 0.61 0.00 0.00 0.43 0.00 0.00 52.55 53.75 2dno s ASP 150 Cb -0.24 -2.18 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2dno s ASP 150 CO -0.02 0.19 0.00 0.41 -0.17 0.00 0.00 175.17 175.58 2dno n THR 151 N 2.98 0.00 -3.67 1.71 -1.04 -1.26 -5.05 114.28 107.95 2dno n THR 151 Ca -0.13 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.74 2dno n THR 151 Cb 0.52 -1.07 -0.14 0.00 -1.82 0.00 0.00 70.33 67.83 2dno n THR 151 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2dno s GLU 152 N -1.97 0.13 0.06 -2.82 2.12 -1.26 -5.12 118.70 109.84 2dno s GLU 152 Ca 0.00 0.70 -0.36 0.00 0.36 0.00 0.00 54.97 55.67 2dno s GLU 152 Cb 0.00 -0.08 -0.15 0.00 0.26 0.00 0.00 34.13 34.16 2dno s GLU 152 CO 0.00 -0.28 1.53 1.17 -0.54 0.00 0.00 175.26 177.14 2dno n LYS 153 N 5.26 1.67 -2.95 4.30 4.81 -1.26 -4.91 118.16 125.08 2dno n LYS 153 Ca -0.07 0.61 -0.42 0.00 -0.87 0.00 0.00 58.31 57.56 2dno n LYS 153 Cb 0.50 -2.33 -0.05 0.00 0.02 0.00 0.00 35.03 33.17 2dno n LYS 153 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2dno s GLU 154 N 1.33 4.04 -0.11 1.64 2.02 -1.26 -5.03 118.70 121.33 2dno s GLU 154 Ca 0.84 0.68 -0.01 0.00 0.02 0.00 0.00 54.97 56.50 2dno s GLU 154 Cb -0.82 -3.70 0.03 0.00 0.10 0.00 0.00 34.13 29.74 2dno s GLU 154 CO 0.45 -0.60 -0.02 0.45 0.02 0.00 0.00 175.26 175.56 2dno s SER 155 N 1.53 2.07 0.37 -0.19 0.15 -1.26 -5.12 113.70 111.25 2dno s SER 155 Ca 0.32 -0.31 -0.24 0.00 0.70 0.00 0.00 55.95 56.43 2dno s SER 155 Cb -0.15 -0.64 -0.14 0.00 -1.71 0.00 0.00 66.02 63.39 2dno s SER 155 CO 0.11 -0.18 0.51 0.61 1.20 0.00 0.00 173.24 175.48 2dno n GLY 156 N 5.04 -1.63 3.44 9.45 0.00 -1.26 -4.82 105.19 115.41 2dno n GLY 156 Ca -0.09 0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2dno n GLY 156 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dno n PRO 157 N 0.80 0.52 -3.58 1.61 -0.02 -1.26 -4.98 135.00 128.08 2dno n PRO 157 Ca 0.12 0.19 -0.26 0.00 -2.02 0.00 0.00 63.50 61.53 2dno n PRO 157 Cb 0.37 -1.54 -0.03 0.00 -0.02 0.00 0.00 33.50 32.28 2dno n PRO 157 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2dno s SER 158 N -1.03 6.37 -0.20 2.55 0.15 -1.26 -5.04 113.70 115.24 2dno s SER 158 Ca 0.65 0.44 -0.14 0.00 0.70 0.00 0.00 55.95 57.60 2dno s SER 158 Cb -0.53 -2.03 -0.20 0.00 -1.71 0.00 0.00 66.02 61.55 2dno s SER 158 CO 0.57 -0.13 0.11 -1.54 1.20 0.00 0.00 173.24 173.46 2dno n SER 159 N -1.02 1.96 0.00 5.45 3.41 -1.26 -5.32 113.62 116.84 2dno n SER 159 Ca -0.05 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2dno n SER 159 Cb 0.55 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 2dno n SER 159 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49