#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 6.92 -0.04 1.61 0.15 -1.26 -5.00 113.70 116.08 2dno s SER 60 Ca 0.00 -2.70 -0.30 0.00 0.70 0.00 0.00 55.95 53.65 2dno s SER 60 Cb 0.00 -2.36 -0.07 0.00 -1.71 0.00 0.00 66.02 61.88 2dno s SER 60 CO 0.00 -0.79 1.87 -0.94 1.20 0.00 0.00 173.24 174.59 2dno s SER 61 N 2.87 6.41 -0.28 5.45 1.04 -1.26 -4.96 113.70 122.98 2dno s SER 61 Ca 0.35 2.38 -0.02 0.00 0.48 0.00 0.00 55.95 59.15 2dno s SER 61 Cb -0.05 -2.53 0.12 0.00 0.10 0.00 0.00 66.02 63.66 2dno s SER 61 CO -0.05 -1.12 0.24 -0.83 0.98 0.00 0.00 173.24 172.46 2dno s GLY 62 N 4.47 0.03 -0.66 7.32 0.00 -1.26 -5.09 107.32 112.13 2dno s GLY 62 Ca 0.84 -0.44 -0.19 0.00 0.00 0.00 0.00 44.72 44.93 2dno s GLY 62 CO 0.36 2.44 0.78 -1.35 0.00 0.00 0.00 173.10 175.33 2dno s SER 63 N 2.29 6.30 0.07 1.64 1.04 -1.26 -5.02 113.70 118.76 2dno s SER 63 Ca 0.09 -1.62 -0.31 0.00 0.48 0.00 0.00 55.95 54.59 2dno s SER 63 Cb -0.15 -2.31 -0.10 0.00 0.10 0.00 0.00 66.02 63.56 2dno s SER 63 CO -0.31 -1.07 1.89 -1.20 0.98 0.00 0.00 173.24 173.52 2dno n SER 64 N 6.18 4.00 0.00 7.02 7.64 -1.26 -4.67 113.62 132.54 2dno n SER 64 Ca -0.03 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.81 2dno n SER 64 Cb 0.44 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 2dno n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dno n GLY 65 N 4.34 2.26 0.73 0.23 0.00 -1.26 -5.08 105.19 106.42 2dno n GLY 65 Ca 0.19 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 2dno n GLY 65 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dno n SER 66 N 0.00 0.74 -3.91 1.61 2.88 -1.26 -5.00 113.62 108.68 2dno n SER 66 Ca 0.00 0.12 -0.29 0.00 -1.33 0.00 0.00 58.87 57.38 2dno n SER 66 Cb 0.00 -0.29 -0.16 0.00 -0.75 0.00 0.00 64.21 63.00 2dno n SER 66 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2dno s ARG 67 N -2.18 1.57 -0.40 -1.46 1.81 -1.26 -5.07 118.95 111.96 2dno s ARG 67 Ca -0.12 -0.60 0.06 0.00 -1.72 0.00 0.00 55.73 53.36 2dno s ARG 67 Cb 0.04 -2.11 0.17 0.00 -0.45 0.00 0.00 34.95 32.61 2dno s ARG 67 CO 0.15 -0.43 0.54 0.20 -0.68 0.00 0.00 175.30 175.08 2dno s GLY 68 N 1.58 -0.81 -0.60 -3.53 0.00 -1.26 -5.04 107.32 97.66 2dno s GLY 68 Ca 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 44.72 44.52 2dno s GLY 68 CO -0.08 3.33 0.99 -2.21 0.00 0.00 0.00 173.10 175.13 2dno n GLU 69 N 4.31 3.35 -3.90 2.90 4.07 -1.26 -5.03 120.64 125.07 2dno n GLU 69 Ca 0.11 -4.86 -0.10 0.00 -0.06 0.00 0.00 57.16 52.26 2dno n GLU 69 Cb 0.53 -2.25 -0.06 0.00 -0.06 0.00 0.00 31.44 29.60 2dno n GLU 69 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2dno s ASP 70 N -3.38 -0.05 -0.17 4.31 2.15 -1.26 -5.06 116.67 113.20 2dno s ASP 70 Ca 0.49 -0.77 0.17 0.00 0.43 0.00 0.00 52.55 52.87 2dno s ASP 70 Cb 0.28 0.48 -0.24 0.00 -0.30 0.00 0.00 42.92 43.14 2dno s ASP 70 CO -0.14 -0.95 0.10 0.54 -0.17 0.00 0.00 175.17 174.55 2dno n ARG 71 N -0.26 0.87 -1.85 4.34 1.74 -1.26 -4.86 116.66 115.39 2dno n ARG 71 Ca -0.08 -0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.58 2dno n ARG 71 Cb 0.63 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.59 2dno n ARG 71 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2dno s LYS 72 N -2.54 3.74 -0.03 5.56 2.20 -1.26 -3.85 119.74 123.56 2dno s LYS 72 Ca -0.09 2.37 0.05 0.00 -0.36 0.00 0.00 55.97 57.94 2dno s LYS 72 Cb 0.06 -2.68 -0.01 0.00 -1.51 0.00 0.00 37.83 33.69 2dno s LYS 72 CO 0.78 -0.75 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.32 2dno s LEU 73 N -2.66 2.00 -0.20 5.43 1.43 0.12 -3.69 118.68 121.11 2dno s LEU 73 Ca 0.60 -0.37 -0.21 0.00 -1.03 0.00 0.00 54.13 53.12 2dno s LEU 73 Cb -0.43 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 2dno s LEU 73 CO 0.55 0.21 0.64 0.12 0.23 0.00 0.00 176.35 178.10 2dno s PHE 74 N -0.27 3.37 0.05 0.29 5.36 0.93 -1.86 117.98 125.86 2dno s PHE 74 Ca 0.03 0.94 0.07 0.00 -0.96 0.00 0.00 56.93 57.02 2dno s PHE 74 Cb -0.09 -2.82 -0.03 0.00 -0.34 0.00 0.00 43.02 39.74 2dno s PHE 74 CO 0.01 -0.19 -0.18 0.08 -1.46 0.00 0.00 175.22 173.48 2dno s VAL 75 N 1.96 2.80 0.28 3.12 1.01 0.23 -1.22 120.40 128.57 2dno s VAL 75 Ca 0.29 -1.24 0.04 0.00 0.00 0.00 0.00 61.98 61.07 2dno s VAL 75 Cb -0.16 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 2dno s VAL 75 CO 0.10 0.30 0.30 0.61 0.00 0.00 0.00 175.10 176.41 2dno n GLY 76 N 1.43 2.79 3.14 4.51 0.00 0.22 -1.64 105.19 115.64 2dno n GLY 76 Ca -0.16 -1.75 -0.23 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.51 -4.86 -3.15 1.61 2.81 -0.63 -2.93 117.12 109.46 2dno n MET 77 Ca 0.04 0.82 -0.31 0.00 -1.81 0.00 0.00 57.70 56.45 2dno n MET 77 Cb 0.50 -5.67 -0.04 0.00 -0.71 0.00 0.00 33.22 27.30 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 -6.71 4.00 0.12 4.03 1.43 -1.19 -4.73 118.68 115.62 2dno s LEU 78 Ca 0.35 1.01 0.08 0.00 -1.03 0.00 0.00 54.13 54.54 2dno s LEU 78 Cb -0.16 -3.84 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 2dno s LEU 78 CO 0.43 -0.24 -0.14 -0.83 0.23 0.00 0.00 176.35 175.80 2dno s GLY 79 N -2.81 1.74 0.56 -3.19 0.00 -1.26 -4.32 107.32 98.04 2dno s GLY 79 Ca 0.49 -1.31 0.47 0.00 0.00 0.00 0.00 44.72 44.37 2dno s GLY 79 CO 0.26 -1.30 1.56 1.70 0.00 0.00 0.00 173.10 175.32 2dno h LYS 80 N 3.62 0.00 -0.05 2.90 3.64 -1.96 0.84 116.57 125.56 2dno h LYS 80 Ca -0.49 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 2dno h LYS 80 Cb 1.17 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2dno h LYS 80 CO 0.49 0.00 -0.01 1.96 -2.27 0.00 0.00 179.45 179.62 2dno h GLN 81 N 0.00 0.10 -6.46 1.90 4.20 -1.95 -3.41 115.11 109.49 2dno h GLN 81 Ca 0.86 -0.04 -0.57 0.00 0.06 0.00 0.00 58.65 58.97 2dno h GLN 81 Cb 3.59 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 31.32 2dno h GLN 81 CO -0.01 0.45 1.10 -0.65 -0.67 0.00 0.00 178.83 179.05 2dno s GLN 82 N -4.69 3.58 0.47 1.46 1.11 0.29 -4.88 119.66 117.01 2dno s GLN 82 Ca -0.15 1.09 0.03 0.00 0.01 0.00 0.00 55.36 56.34 2dno s GLN 82 Cb 0.04 -4.04 -0.03 0.00 -1.01 0.00 0.00 33.01 27.96 2dno s GLN 82 CO 0.69 -1.55 0.02 -0.08 0.01 0.00 0.00 175.29 174.38 2dno s THR 83 N 5.54 1.31 0.42 -0.19 -1.32 -1.26 -4.54 115.64 115.60 2dno s THR 83 Ca 0.64 -2.00 0.29 0.00 -1.21 0.00 0.00 61.69 59.42 2dno s THR 83 Cb -0.16 -2.40 0.46 0.00 -1.51 0.00 0.00 72.50 68.89 2dno s THR 83 CO 0.32 0.00 1.58 -0.78 -2.21 0.00 0.00 174.62 173.53 2dno h ASP 84 N 1.52 0.24 0.57 8.08 1.82 -1.95 0.25 116.42 126.95 2dno h ASP 84 Ca -0.43 0.18 -0.03 0.00 -0.39 0.00 0.00 57.03 56.37 2dno h ASP 84 Cb 1.29 0.19 0.01 0.00 0.68 0.00 0.00 39.33 41.50 2dno h ASP 84 CO 0.74 -0.31 -0.27 -0.33 -1.61 0.00 0.00 179.24 177.46 2dno h GLU 85 N 0.01 -0.74 0.27 0.28 4.39 -1.97 -2.37 114.58 114.46 2dno h GLU 85 Ca 0.87 0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.61 2dno h GLU 85 Cb 2.66 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 31.47 2dno h GLU 85 CO -0.55 -0.43 -0.23 -0.44 -1.16 0.00 0.00 179.01 176.19 2dno h ASP 86 N -1.07 -0.62 -0.99 1.42 3.32 -0.92 -1.63 116.42 115.93 2dno h ASP 86 Ca -0.08 0.05 0.15 0.00 0.02 0.00 0.00 57.03 57.17 2dno h ASP 86 Cb 0.65 0.20 -0.16 0.00 0.22 0.00 0.00 39.33 40.24 2dno h ASP 86 CO 0.13 -0.32 -0.39 0.52 -1.72 0.00 0.00 179.24 177.46 2dno n VAL 87 N -3.75 -0.53 0.14 -1.35 0.31 -0.28 0.12 118.33 113.00 2dno n VAL 87 Ca -0.06 2.32 -0.16 0.00 -0.01 0.00 0.00 64.34 66.43 2dno n VAL 87 Cb 0.22 -3.06 -0.09 0.00 -0.91 0.00 0.00 33.84 29.99 2dno n VAL 87 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2dno h ARG 88 N 0.00 -0.73 0.00 5.55 2.43 -1.27 0.91 114.38 121.26 2dno h ARG 88 Ca 0.34 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2dno h ARG 88 Cb 0.59 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2dno h ARG 88 CO -0.98 -0.49 -0.00 -0.22 -1.51 0.00 0.00 179.97 176.77 2dno h LYS 89 N -0.76 0.00 0.00 0.20 3.64 -0.06 0.39 116.57 119.98 2dno h LYS 89 Ca -0.02 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 2dno h LYS 89 Cb 0.74 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2dno h LYS 89 CO -0.23 0.00 -0.92 1.98 -2.27 0.00 0.00 179.45 178.01 2dno h MET 90 N 0.00 0.00 0.00 1.90 4.05 0.29 -3.33 114.93 117.84 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 0.13 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.93 2dno h MET 90 CO 0.00 0.20 -1.66 1.19 0.23 0.00 0.00 176.91 176.88 2dno n PHE 91 N -2.91 0.04 -0.29 1.39 3.01 0.30 -4.35 117.46 114.64 2dno n PHE 91 Ca -0.03 0.01 -0.04 0.00 1.01 0.00 0.00 57.45 58.40 2dno n PHE 91 Cb 0.69 -0.37 0.07 0.00 -0.01 0.00 0.00 39.48 39.86 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 1.04 0.00 -1.08 4.39 -0.40 -2.10 114.58 116.44 2dno h GLU 92 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2dno h GLU 92 Cb 0.85 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2dno h GLU 92 CO 0.00 0.69 0.44 -2.30 -1.16 0.00 0.00 179.01 176.68 2dno n PRO 93 N -4.53 0.06 -0.79 2.33 -0.02 -1.26 0.12 135.00 130.91 2dno n PRO 93 Ca 0.08 0.52 0.01 0.00 -2.02 0.00 0.00 63.50 62.09 2dno n PRO 93 Cb 0.01 -2.14 0.19 0.00 -0.02 0.00 0.00 33.50 31.54 2dno n PRO 93 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2dno n PHE 94 N -1.92 0.48 0.00 6.00 3.72 -0.79 -5.07 117.46 119.88 2dno n PHE 94 Ca -0.01 -1.61 0.00 0.00 -0.05 0.00 0.00 57.45 55.79 2dno n PHE 94 Cb 0.45 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 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 0.89 3.82 1.37 0.00 0.32 -4.43 105.19 106.07 2dno n GLY 95 Ca 0.24 -2.23 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.97 5.21 -0.22 2.61 2.01 -1.26 -4.05 115.64 118.96 2dno s THR 96 Ca 0.00 0.63 -0.11 0.00 0.31 0.00 0.00 61.69 62.52 2dno s THR 96 Cb 0.00 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 2dno s THR 96 CO 0.00 0.54 0.18 -0.63 -0.69 0.00 0.00 174.62 174.02 2dno s ILE 97 N -0.70 5.36 -0.07 1.82 1.01 -1.26 0.65 121.20 128.01 2dno s ILE 97 Ca 0.20 0.24 -0.02 0.00 0.00 0.00 0.00 60.65 61.08 2dno s ILE 97 Cb -0.15 -3.52 -0.26 0.00 0.01 0.00 0.00 42.46 38.54 2dno s ILE 97 CO 0.09 0.36 0.56 -0.78 0.00 0.00 0.00 174.94 175.17 2dno h ASP 98 N 7.28 0.33 -4.87 3.58 3.58 -1.08 -3.47 116.42 121.77 2dno h ASP 98 Ca -0.39 -0.64 -0.21 0.00 0.42 0.00 0.00 57.03 56.21 2dno h ASP 98 Cb 1.16 -0.11 -0.18 0.00 1.72 0.00 0.00 39.33 41.93 2dno h ASP 98 CO 0.69 1.57 -0.71 -1.61 -2.88 0.00 0.00 179.24 176.30 2dno s GLU 99 N -2.58 0.58 -0.27 0.28 8.01 -1.15 -5.03 118.70 118.54 2dno s GLU 99 Ca -0.15 -0.97 -0.22 0.00 0.01 0.00 0.00 54.97 53.63 2dno s GLU 99 Cb 0.07 -0.08 0.07 0.00 -4.31 0.00 0.00 34.13 29.88 2dno s GLU 99 CO 0.81 -0.02 0.71 0.00 0.01 0.00 0.00 175.26 176.76 2dno s THR 101 N 0.72 -0.00 -0.02 0.00 2.01 -0.87 -5.05 115.64 112.43 2dno s THR 101 Ca -0.03 0.00 0.02 0.00 0.31 0.00 0.00 61.69 61.99 2dno s THR 101 Cb -0.05 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 2dno s THR 101 CO -0.05 0.00 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.16 2dno s VAL 102 N 0.55 3.93 -0.21 3.82 1.01 -1.26 -0.56 120.40 127.67 2dno s VAL 102 Ca -0.01 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 2dno s VAL 102 Cb -0.05 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2dno s VAL 102 CO -0.02 0.44 0.50 -0.76 0.00 0.00 0.00 175.10 175.27 2dno s LEU 103 N -1.31 4.12 0.44 3.92 1.43 -0.71 -4.98 118.68 121.60 2dno s LEU 103 Ca 0.17 0.62 0.04 0.00 -1.03 0.00 0.00 54.13 53.92 2dno s LEU 103 Cb -0.11 -2.67 -0.01 0.00 0.03 0.00 0.00 46.19 43.42 2dno s LEU 103 CO 0.07 -0.19 0.13 -0.13 0.23 0.00 0.00 176.35 176.45 2dno s ARG 104 N 1.76 2.03 0.00 1.70 0.52 -1.26 -2.78 118.95 120.92 2dno s ARG 104 Ca 0.23 -2.27 0.00 0.00 -0.52 0.00 0.00 55.73 53.17 2dno s ARG 104 Cb -0.15 -0.70 0.00 0.00 0.52 0.00 0.00 34.95 34.62 2dno s ARG 104 CO 0.09 -0.52 0.00 0.41 0.02 0.00 0.00 175.30 175.30 2dno n GLY 105 N -1.01 1.52 0.08 -3.53 0.00 -1.04 -4.84 105.19 96.37 2dno n GLY 105 Ca -0.09 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.05 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 0.08 -0.26 1.61 0.13 -2.02 -3.35 132.00 128.18 2dno h PRO 106 Ca 0.00 -0.09 -0.04 0.00 -0.87 0.00 0.00 66.00 65.00 2dno h PRO 106 Cb 0.00 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 2dno h PRO 106 CO 0.00 0.91 0.02 -0.44 -0.23 0.00 0.00 178.00 178.25 2dno h ASP 107 N -0.71 0.44 0.00 1.44 5.19 -2.07 -3.47 116.42 117.24 2dno h ASP 107 Ca -0.02 -0.29 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 2dno h ASP 107 Cb 0.96 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.35 2dno h ASP 107 CO 0.03 0.62 0.00 0.61 -3.12 0.00 0.00 179.24 177.38 2dno n GLY 108 N -0.38 0.83 3.76 2.75 0.00 -1.26 -5.14 105.19 105.75 2dno n GLY 108 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2dno n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dno s THR 109 N -0.93 5.39 -0.61 2.61 2.01 -1.26 -4.86 115.64 117.99 2dno s THR 109 Ca 0.00 0.30 -0.26 0.00 0.31 0.00 0.00 61.69 62.04 2dno s THR 109 Cb 0.00 -3.51 -0.09 0.00 0.01 0.00 0.00 72.50 68.92 2dno s THR 109 CO 0.00 0.46 2.37 -0.55 -0.69 0.00 0.00 174.62 176.21 2dno s SER 110 N 0.10 4.31 0.35 3.53 0.15 -1.26 -2.50 113.70 118.37 2dno s SER 110 Ca 0.12 0.65 0.15 0.00 0.70 0.00 0.00 55.95 57.58 2dno s SER 110 Cb -0.12 -2.52 1.11 0.00 -1.71 0.00 0.00 66.02 62.79 2dno s SER 110 CO 0.01 -3.19 1.66 0.11 1.20 0.00 0.00 173.24 173.03 2dno h LYS 111 N 16.89 0.29 0.00 5.44 1.57 -1.84 -3.42 116.57 135.50 2dno h LYS 111 Ca -0.15 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2dno h LYS 111 Cb 1.17 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2dno h LYS 111 CO 1.11 0.19 0.00 0.41 -0.57 0.00 0.00 179.45 180.60 2dno n GLY 112 N -1.29 0.68 3.59 3.86 0.00 -1.26 -4.93 105.19 105.84 2dno n GLY 112 Ca 0.32 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.80 -0.92 -0.16 0.00 0.00 -0.66 -1.73 121.76 117.49 2dno s ALA 114 Ca -0.00 0.12 -0.04 0.00 0.00 0.00 0.00 51.96 52.04 2dno s ALA 114 Cb -0.02 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 2dno s ALA 114 CO -0.01 -0.52 -0.04 -0.06 0.00 0.00 0.00 175.76 175.14 2dno s PHE 115 N -3.00 3.01 -0.06 0.00 0.08 0.27 -0.60 117.98 117.68 2dno s PHE 115 Ca -0.02 -0.37 0.04 0.00 0.12 0.00 0.00 56.93 56.70 2dno s PHE 115 Cb 0.00 -1.98 -0.02 0.00 -0.57 0.00 0.00 43.02 40.46 2dno s PHE 115 CO -0.06 -0.10 -0.19 0.08 -0.10 0.00 0.00 175.22 174.85 2dno s VAL 116 N 0.51 2.62 -0.21 -0.44 1.01 -0.78 -2.04 120.40 121.07 2dno s VAL 116 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.08 2dno s VAL 116 Cb -0.14 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.26 2dno s VAL 116 CO 0.03 0.57 -0.14 -0.75 0.00 0.00 0.00 175.10 174.81 2dno s LYS 117 N -0.37 2.86 0.54 2.72 2.20 -0.22 0.16 119.74 127.63 2dno s LYS 117 Ca 0.03 -0.94 -0.03 0.00 -0.36 0.00 0.00 55.97 54.67 2dno s LYS 117 Cb -0.12 -2.77 0.01 0.00 -1.51 0.00 0.00 37.83 33.44 2dno s LYS 117 CO 0.02 -0.32 0.81 -0.06 -0.36 0.00 0.00 175.35 175.45 2dno s PHE 118 N 1.28 3.18 0.25 4.03 0.08 -1.25 -0.61 117.98 124.94 2dno s PHE 118 Ca 0.01 0.42 0.01 0.00 0.12 0.00 0.00 56.93 57.50 2dno s PHE 118 Cb -0.15 -2.62 0.30 0.00 -0.57 0.00 0.00 43.02 39.98 2dno s PHE 118 CO -0.09 -0.70 1.64 0.37 -0.10 0.00 0.00 175.22 176.34 2dno h GLN 119 N 0.02 0.48 -3.61 0.44 4.15 -0.13 -3.40 115.11 113.07 2dno h GLN 119 Ca -0.45 -0.23 -0.21 0.00 0.77 0.00 0.00 58.65 58.53 2dno h GLN 119 Cb 1.26 -0.00 -0.27 0.00 0.21 0.00 0.00 27.48 28.68 2dno h GLN 119 CO 0.59 0.79 -0.65 0.95 -1.93 0.00 0.00 178.83 178.58 2dno s THR 120 N -4.27 0.01 0.37 2.39 -4.23 -1.26 -5.03 115.64 103.62 2dno s THR 120 Ca -0.07 -0.06 0.18 0.00 -1.18 0.00 0.00 61.69 60.57 2dno s THR 120 Cb 0.13 -0.11 0.37 0.00 1.34 0.00 0.00 72.50 74.23 2dno s THR 120 CO 0.81 -0.03 1.66 -0.74 -0.54 0.00 0.00 174.62 175.78 2dno h HIS 121 N 5.94 0.81 0.40 3.99 -0.00 -1.89 -0.34 115.15 124.06 2dno h HIS 121 Ca -0.25 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.15 2dno h HIS 121 Cb 1.21 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 28.37 2dno h HIS 121 CO 0.43 -0.17 -0.50 0.00 -0.00 0.00 0.00 177.93 177.69 2dno h ALA 122 N 1.78 -1.07 -0.95 5.26 0.00 -1.97 -1.97 119.26 120.33 2dno h ALA 122 Ca 0.74 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 55.69 2dno h ALA 122 Cb 1.86 0.76 -0.11 0.00 0.00 0.00 0.00 17.79 20.30 2dno h ALA 122 CO -0.54 -1.15 0.53 0.93 0.00 0.00 0.00 179.25 179.02 2dno h GLU 123 N -0.93 0.61 -1.00 0.00 5.08 -1.31 0.14 114.58 117.18 2dno h GLU 123 Ca -0.04 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2dno h GLU 123 Cb 0.83 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.88 2dno h GLU 123 CO -0.12 0.41 0.65 0.00 -1.00 0.00 0.00 179.01 178.94 2dno h ALA 124 N 1.66 1.36 -0.20 3.43 0.00 -1.05 -2.15 119.26 122.32 2dno h ALA 124 Ca 0.57 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.38 2dno h ALA 124 Cb 0.95 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2dno h ALA 124 CO -0.43 0.49 -0.13 0.37 0.00 0.00 0.00 179.25 179.55 2dno h GLN 125 N 1.22 0.44 -0.03 0.00 5.75 -0.04 -1.72 115.11 120.72 2dno h GLN 125 Ca 0.42 -0.21 0.01 0.00 -0.15 0.00 0.00 58.65 58.72 2dno h GLN 125 Cb 0.09 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.64 2dno h GLN 125 CO -0.15 0.76 0.09 0.00 -2.65 0.00 0.00 178.83 176.88 2dno h ALA 126 N 0.67 1.30 0.00 3.38 0.00 -0.87 -0.59 119.26 123.15 2dno h ALA 126 Ca 0.04 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2dno h ALA 126 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2dno h ALA 126 CO 0.04 -0.11 -0.88 0.00 0.00 0.00 0.00 179.25 178.29 2dno h ALA 127 N 1.85 0.18 0.00 0.00 0.00 -1.15 -3.29 119.26 116.85 2dno h ALA 127 Ca 0.02 -0.97 -0.00 0.00 0.00 0.00 0.00 54.91 53.96 2dno h ALA 127 Cb 0.20 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2dno h ALA 127 CO -0.00 0.51 -0.00 0.82 0.00 0.00 0.00 179.25 180.58 2dno h ILE 128 N -1.00 0.03 0.00 0.00 2.04 -0.92 1.16 117.51 118.82 2dno h ILE 128 Ca -0.24 -0.10 -0.11 0.00 1.00 0.00 0.00 64.86 65.42 2dno h ILE 128 Cb 1.14 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 2dno h ILE 128 CO -0.14 0.00 -0.55 -1.13 0.00 0.00 0.00 178.15 176.32 2dno h ASN 129 N 0.00 0.00 0.00 1.72 -0.73 -1.25 -2.20 115.58 113.12 2dno h ASN 129 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2dno h ASN 129 Cb 0.09 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.68 2dno h ASN 129 CO 0.00 0.51 -0.54 0.41 -0.37 0.00 0.00 177.43 177.44 2dno n THR 130 N -3.21 0.00 -0.09 -3.57 -1.04 -0.22 -4.74 114.28 101.41 2dno n THR 130 Ca 0.01 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.05 61.66 2dno n THR 130 Cb 0.74 0.94 -0.03 0.00 -1.82 0.00 0.00 70.33 70.16 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 -1.28 1.92 -3.73 -4.42 4.77 0.38 -4.56 117.00 110.08 2dno n LEU 131 Ca 0.01 0.33 -0.50 0.00 -0.03 0.00 0.00 56.01 55.82 2dno n LEU 131 Cb 0.16 -0.73 -0.07 0.00 -2.33 0.00 0.00 43.42 40.45 2dno n LEU 131 CO 0.20 -0.26 0.62 1.57 -1.33 0.00 0.00 177.39 178.19 2dno n HIS 132 N -4.43 0.83 -3.58 -1.77 -0.00 -0.83 0.12 115.22 105.57 2dno n HIS 132 Ca -0.15 0.89 -0.28 0.00 0.46 0.00 0.00 57.72 58.63 2dno n HIS 132 Cb 0.52 -1.74 -0.06 0.00 -0.12 0.00 0.00 29.99 28.59 2dno n HIS 132 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2dno n SER 133 N 1.90 -1.09 0.00 0.26 2.88 -0.14 -4.76 113.62 112.67 2dno n SER 133 Ca 0.19 -0.85 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 2dno n SER 133 Cb 0.03 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 2dno n SER 133 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dno n SER 134 N -1.44 0.00 -4.98 -3.46 7.64 0.33 -4.93 113.62 106.78 2dno n SER 134 Ca 0.06 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.73 2dno n SER 134 Cb 0.32 -0.35 -0.01 0.00 -1.01 0.00 0.00 64.21 63.15 2dno n SER 134 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dno s ARG 135 N -0.71 3.32 -0.40 1.43 1.70 -1.25 -4.92 118.95 118.13 2dno s ARG 135 Ca 0.00 -0.84 0.03 0.00 -0.47 0.00 0.00 55.73 54.45 2dno s ARG 135 Cb 0.00 -2.86 0.11 0.00 -0.57 0.00 0.00 34.95 31.64 2dno s ARG 135 CO 0.00 0.28 0.14 0.99 -1.08 0.00 0.00 175.30 175.63 2dno s THR 136 N -2.07 2.04 0.32 4.99 2.01 -1.26 -0.19 115.64 121.48 2dno s THR 136 Ca 0.38 -2.49 -0.26 0.00 0.31 0.00 0.00 61.69 59.63 2dno s THR 136 Cb -0.09 -2.48 -0.14 0.00 0.01 0.00 0.00 72.50 69.81 2dno s THR 136 CO 0.30 -0.70 0.86 0.18 -0.69 0.00 0.00 174.62 174.57 2dno n LEU 137 N 3.95 1.19 -4.51 4.42 4.77 -1.26 -4.73 117.00 120.82 2dno n LEU 137 Ca 0.04 1.10 -0.55 0.00 -0.03 0.00 0.00 56.01 56.57 2dno n LEU 137 Cb 0.38 -1.22 -0.08 0.00 -2.33 0.00 0.00 43.42 40.17 2dno n LEU 137 CO 0.24 -1.89 1.61 -2.65 -1.33 0.00 0.00 177.39 173.38 2dno n PRO 138 N 0.65 0.91 -1.92 3.23 -0.02 -1.26 -1.74 135.00 134.85 2dno n PRO 138 Ca 0.11 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2dno n PRO 138 Cb 0.33 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 5.85 0.63 2.75 -1.23 0.00 -1.26 -4.93 105.19 106.99 2dno n GLY 139 Ca 0.38 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.81 1.11 0.00 4.61 0.00 -0.71 -4.93 121.76 119.03 2dno s ALA 140 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.12 2dno s ALA 140 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.88 2dno s ALA 140 CO 0.00 -1.23 0.44 0.43 0.00 0.00 0.00 175.76 175.40 2dno n SER 141 N 5.01 0.00 -4.99 0.00 7.64 -1.26 -4.52 113.62 115.49 2dno n SER 141 Ca -0.08 0.44 -0.19 0.00 1.01 0.00 0.00 58.87 60.05 2dno n SER 141 Cb 0.46 -0.14 -0.00 0.00 -1.01 0.00 0.00 64.21 63.52 2dno n SER 141 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dno s SER 142 N -2.37 5.92 0.97 6.43 0.01 -1.26 -5.09 113.70 118.32 2dno s SER 142 Ca 0.00 -0.19 -0.11 0.00 1.31 0.00 0.00 55.95 56.96 2dno s SER 142 Cb 0.00 -1.18 0.18 0.00 0.21 0.00 0.00 66.02 65.23 2dno s SER 142 CO 0.00 -0.49 1.12 -0.44 0.41 0.00 0.00 173.24 173.85 2dno s SER 143 N -4.20 2.44 -0.15 2.44 0.01 -1.26 -4.79 113.70 108.18 2dno s SER 143 Ca 0.46 2.08 -0.33 0.00 1.31 0.00 0.00 55.95 59.47 2dno s SER 143 Cb -0.10 -2.53 -0.10 0.00 0.21 0.00 0.00 66.02 63.50 2dno s SER 143 CO 0.32 -3.39 2.00 -0.11 0.41 0.00 0.00 173.24 172.47 2dno n LEU 144 N -4.41 3.21 -4.61 2.44 7.94 0.73 -4.65 117.00 117.64 2dno n LEU 144 Ca 0.10 0.75 -0.42 0.00 -1.11 0.00 0.00 56.01 55.33 2dno n LEU 144 Cb 0.52 -1.39 -0.05 0.00 0.53 0.00 0.00 43.42 43.04 2dno n LEU 144 CO 0.51 -0.27 0.62 -0.69 -1.11 0.00 0.00 177.39 176.45 2dno s VAL 145 N 5.37 4.76 -0.04 1.96 1.01 -1.15 -0.97 120.40 131.35 2dno s VAL 145 Ca 0.97 1.22 0.01 0.00 0.00 0.00 0.00 61.98 64.19 2dno s VAL 145 Cb -0.66 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 31.56 2dno s VAL 145 CO 0.48 -0.28 -0.05 -0.69 0.00 0.00 0.00 175.10 174.57 2dno s VAL 146 N 3.03 0.52 -0.04 2.92 1.01 -1.26 0.69 120.40 127.27 2dno s VAL 146 Ca 0.34 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 2dno s VAL 146 Cb -0.14 -0.53 0.10 0.00 0.00 0.00 0.00 36.38 35.82 2dno s VAL 146 CO 0.13 0.21 0.88 -1.59 0.00 0.00 0.00 175.10 174.73 2dno s LYS 147 N 0.72 0.81 -0.05 2.72 -2.85 -0.36 -4.47 119.74 116.25 2dno s LYS 147 Ca -0.09 -0.15 -0.35 0.00 -1.00 0.00 0.00 55.97 54.37 2dno s LYS 147 Cb -0.13 0.37 -0.13 0.00 -2.06 0.00 0.00 37.83 35.88 2dno s LYS 147 CO 0.00 -0.32 1.73 1.19 0.10 0.00 0.00 175.35 178.05 2dno n PHE 148 N 0.09 2.18 -1.66 1.78 3.72 -1.26 -0.05 117.46 122.26 2dno n PHE 148 Ca -0.10 0.22 -0.54 0.00 -0.05 0.00 0.00 57.45 56.98 2dno n PHE 148 Cb 0.61 -2.57 -0.06 0.00 -0.94 0.00 0.00 39.48 36.52 2dno n PHE 148 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dno n ALA 149 N 5.27 -0.23 -0.74 4.37 0.00 -1.24 -4.71 120.51 123.22 2dno n ALA 149 Ca 0.22 0.42 -0.14 0.00 0.00 0.00 0.00 53.44 53.94 2dno n ALA 149 Cb 0.25 -2.21 0.04 0.00 0.00 0.00 0.00 19.45 17.52 2dno n ALA 149 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2dno n ASP 150 N 4.41 6.00 0.24 0.00 5.75 -1.26 -4.45 116.55 127.23 2dno n ASP 150 Ca 0.23 -2.94 0.06 0.00 -0.01 0.00 0.00 54.79 52.12 2dno n ASP 150 Cb 0.18 -1.02 0.55 0.00 -1.03 0.00 0.00 41.12 39.80 2dno n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dno h THR 151 N 0.94 1.08 -2.32 2.12 1.03 -2.00 -3.43 112.91 110.33 2dno h THR 151 Ca 0.25 -0.40 -0.57 0.00 -0.01 0.00 0.00 66.41 65.68 2dno h THR 151 Cb 1.01 1.22 0.06 0.00 -1.07 0.00 0.00 68.15 69.37 2dno h THR 151 CO 0.64 0.11 0.84 1.21 -0.01 0.00 0.00 175.52 178.31 2dno n GLU 152 N -4.40 2.24 -3.68 0.00 2.13 -1.26 -4.98 120.64 110.69 2dno n GLU 152 Ca -0.03 0.81 -0.12 0.00 0.66 0.00 0.00 57.16 58.48 2dno n GLU 152 Cb 0.19 -2.59 -0.06 0.00 0.27 0.00 0.00 31.44 29.24 2dno n GLU 152 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2dno s LYS 153 N 1.04 0.91 -1.36 5.31 0.00 -1.26 -4.93 119.74 119.45 2dno s LYS 153 Ca 0.79 -0.44 -0.08 0.00 0.00 0.00 0.00 55.97 56.23 2dno s LYS 153 Cb -0.65 0.40 0.02 0.00 0.00 0.00 0.00 37.83 37.60 2dno s LYS 153 CO 0.37 -0.31 1.11 -1.91 0.00 0.00 0.00 175.35 174.61 2dno n GLU 154 N 0.43 -7.26 -3.73 1.78 4.07 -1.26 -4.99 120.64 109.68 2dno n GLU 154 Ca -0.18 0.79 -0.27 0.00 -0.06 0.00 0.00 57.16 57.44 2dno n GLU 154 Cb 0.60 -5.79 -0.17 0.00 -0.06 0.00 0.00 31.44 26.02 2dno n GLU 154 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2dno s SER 155 N -3.53 2.70 -0.37 4.31 0.15 -1.26 -5.08 113.70 110.62 2dno s SER 155 Ca 0.48 -0.72 0.01 0.00 0.70 0.00 0.00 55.95 56.42 2dno s SER 155 Cb -0.22 -0.55 0.14 0.00 -1.71 0.00 0.00 66.02 63.68 2dno s SER 155 CO 0.75 -0.30 0.22 -0.83 1.20 0.00 0.00 173.24 174.28 2dno s GLY 156 N 1.90 1.01 0.08 9.45 0.00 -1.26 -4.98 107.32 113.52 2dno s GLY 156 Ca 0.00 -2.01 -0.10 0.00 0.00 0.00 0.00 44.72 42.61 2dno s GLY 156 CO -0.08 2.00 1.19 -0.56 0.00 0.00 0.00 173.10 175.65 2dno h PRO 157 N 6.91 0.53 -7.21 2.90 0.13 -2.05 -3.46 132.00 129.75 2dno h PRO 157 Ca 0.06 -0.66 -0.53 0.00 -0.87 0.00 0.00 66.00 64.00 2dno h PRO 157 Cb 0.96 0.21 0.20 0.00 0.13 0.00 0.00 31.00 32.49 2dno h PRO 157 CO 0.31 1.27 0.20 -1.13 -0.23 0.00 0.00 178.00 178.41 2dno n SER 158 N -3.76 0.37 -0.08 1.44 3.41 -1.26 -5.00 113.62 108.74 2dno n SER 158 Ca -0.10 0.47 -0.14 0.00 -0.26 0.00 0.00 58.87 58.83 2dno n SER 158 Cb 0.92 -1.47 -0.05 0.00 -0.26 0.00 0.00 64.21 63.36 2dno n SER 158 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dno n SER 159 N -3.74 1.75 0.00 4.04 3.41 -1.26 -5.25 113.62 112.57 2dno n SER 159 Ca 0.12 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 2dno n SER 159 Cb 0.52 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2dno n SER 159 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49