#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 -0.12 -0.51 1.61 0.01 -1.26 -5.07 113.70 108.36 2dno s SER 60 Ca 0.00 -0.88 -0.16 0.00 1.31 0.00 0.00 55.95 56.22 2dno s SER 60 Cb 0.00 0.79 0.10 0.00 0.21 0.00 0.00 66.02 67.12 2dno s SER 60 CO 0.00 -1.51 0.45 -0.44 0.41 0.00 0.00 173.24 172.15 2dno s SER 61 N -3.00 6.17 0.00 2.44 0.01 -1.26 -5.02 113.70 113.05 2dno s SER 61 Ca 0.13 -1.53 0.00 0.00 1.31 0.00 0.00 55.95 55.86 2dno s SER 61 Cb -0.05 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 63.98 2dno s SER 61 CO 0.09 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.60 2dno n GLY 62 N 5.23 0.84 3.65 3.44 0.00 -1.26 -4.13 105.19 112.96 2dno n GLY 62 Ca -0.13 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.64 6.97 0.01 1.61 1.04 -1.26 -4.91 113.70 113.52 2dno s SER 63 Ca 0.00 1.37 -0.13 0.00 0.48 0.00 0.00 55.95 57.67 2dno s SER 63 Cb 0.00 -2.54 -0.34 0.00 0.10 0.00 0.00 66.02 63.24 2dno s SER 63 CO 0.00 -0.79 0.91 0.77 0.98 0.00 0.00 173.24 175.11 2dno h SER 64 N 8.00 0.75 -4.93 7.02 4.64 -2.01 -3.50 113.55 123.51 2dno h SER 64 Ca -0.22 -0.88 0.00 0.00 -0.47 0.00 0.00 61.79 60.22 2dno h SER 64 Cb 1.08 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2dno h SER 64 CO 0.99 1.71 0.00 0.61 -0.87 0.00 0.00 176.83 179.27 2dno n GLY 65 N 1.75 3.40 0.60 -0.77 0.00 -1.26 -5.04 105.19 103.86 2dno n GLY 65 Ca -0.19 -1.84 -0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 1.58 -4.68 1.61 2.88 -1.26 -5.04 113.62 108.71 2dno n SER 66 Ca 0.00 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.10 2dno n SER 66 Cb 0.00 -0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2dno n SER 66 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dno n ARG 67 N -2.81 2.18 0.00 -1.46 5.12 -1.26 -4.94 116.66 113.49 2dno n ARG 67 Ca -0.00 0.78 0.00 0.00 -1.93 0.00 0.00 57.85 56.69 2dno n ARG 67 Cb 0.50 -2.48 0.00 0.00 -1.16 0.00 0.00 32.46 29.32 2dno n ARG 67 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dno n GLY 68 N 2.44 3.11 0.00 -0.13 0.00 -1.26 -5.03 105.19 104.33 2dno n GLY 68 Ca 0.12 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.23 2dno n GLY 68 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dno n GLU 69 N -0.28 0.77 -1.90 1.61 0.00 -1.26 -4.98 120.64 114.60 2dno n GLU 69 Ca 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 57.16 56.66 2dno n GLU 69 Cb 0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 31.44 30.02 2dno n GLU 69 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2dno s ASP 70 N -3.44 6.50 -0.36 -1.84 -1.08 -1.26 -4.94 116.67 110.25 2dno s ASP 70 Ca 0.00 2.88 0.06 0.00 -0.52 0.00 0.00 52.55 54.97 2dno s ASP 70 Cb 0.13 -2.65 0.44 0.00 -1.46 0.00 0.00 42.92 39.38 2dno s ASP 70 CO 0.77 -0.78 1.18 0.54 0.52 0.00 0.00 175.17 177.40 2dno n ARG 71 N 1.29 3.53 -4.76 4.34 1.74 -1.26 -4.84 116.66 116.70 2dno n ARG 71 Ca 0.04 -4.28 -0.24 0.00 -0.77 0.00 0.00 57.85 52.59 2dno n ARG 71 Cb 0.40 -2.27 -0.15 0.00 -1.02 0.00 0.00 32.46 29.41 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 -3.58 1.40 -0.08 5.56 2.20 -1.26 -2.91 119.74 121.07 2dno s LYS 72 Ca 0.50 -0.57 0.05 0.00 -0.36 0.00 0.00 55.97 55.59 2dno s LYS 72 Cb 0.41 -1.31 -0.00 0.00 -1.51 0.00 0.00 37.83 35.41 2dno s LYS 72 CO -0.05 0.31 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.50 2dno s LEU 73 N -0.24 2.04 -0.45 5.43 1.43 0.51 -1.36 118.68 126.05 2dno s LEU 73 Ca 0.03 -0.51 -0.23 0.00 -1.03 0.00 0.00 54.13 52.40 2dno s LEU 73 Cb -0.08 -1.32 0.03 0.00 0.03 0.00 0.00 46.19 44.84 2dno s LEU 73 CO 0.00 0.19 0.77 0.12 0.23 0.00 0.00 176.35 177.66 2dno s PHE 74 N 0.12 3.00 -0.07 0.29 5.36 0.12 -1.93 117.98 124.87 2dno s PHE 74 Ca -0.11 0.15 -0.09 0.00 -0.96 0.00 0.00 56.93 55.92 2dno s PHE 74 Cb -0.16 -3.63 -0.05 0.00 -0.34 0.00 0.00 43.02 38.85 2dno s PHE 74 CO 0.06 -0.97 0.23 0.08 -1.46 0.00 0.00 175.22 173.15 2dno s VAL 75 N 3.24 5.36 0.34 3.12 1.01 -0.35 -1.99 120.40 131.13 2dno s VAL 75 Ca 0.29 0.34 0.07 0.00 0.00 0.00 0.00 61.98 62.68 2dno s VAL 75 Cb -0.12 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 2dno s VAL 75 CO 0.22 0.56 0.27 -0.83 0.00 0.00 0.00 175.10 175.32 2dno s GLY 76 N -1.19 2.38 -1.18 4.51 0.00 0.14 -1.85 107.32 110.12 2dno s GLY 76 Ca 0.20 -2.00 -0.00 0.00 0.00 0.00 0.00 44.72 42.91 2dno s GLY 76 CO 0.09 -1.51 0.99 1.03 0.00 0.00 0.00 173.10 173.70 2dno n MET 77 N -0.65 -6.47 -4.10 2.90 2.81 -0.82 -2.26 117.12 108.52 2dno n MET 77 Ca 0.06 0.84 -0.32 0.00 -1.81 0.00 0.00 57.70 56.47 2dno n MET 77 Cb 0.62 -5.82 -0.07 0.00 -0.71 0.00 0.00 33.22 27.24 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 -6.29 3.86 0.14 4.03 1.43 -1.10 -4.55 118.68 116.20 2dno s LEU 78 Ca 0.01 0.11 -0.06 0.00 -1.03 0.00 0.00 54.13 53.16 2dno s LEU 78 Cb -0.00 -2.31 -0.06 0.00 0.03 0.00 0.00 46.19 43.85 2dno s LEU 78 CO 0.72 0.25 0.39 -0.83 0.23 0.00 0.00 176.35 177.12 2dno s GLY 79 N -1.87 2.25 0.60 -3.19 0.00 -1.26 -4.34 107.32 99.52 2dno s GLY 79 Ca 0.24 -0.51 0.39 0.00 0.00 0.00 0.00 44.72 44.84 2dno s GLY 79 CO 0.15 -0.41 2.19 0.07 0.00 0.00 0.00 173.10 175.11 2dno h LYS 80 N 2.91 0.00 -0.10 2.90 2.10 -1.95 -1.54 116.57 120.89 2dno h LYS 80 Ca -0.46 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.03 2dno h LYS 80 Cb 1.17 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2dno h LYS 80 CO 0.71 0.00 -0.56 1.96 -2.00 0.00 0.00 179.45 179.57 2dno h GLN 81 N 0.00 0.56 -7.16 0.07 7.50 -1.97 -3.45 115.11 110.66 2dno h GLN 81 Ca 0.00 -0.47 -0.51 0.00 0.50 0.00 0.00 58.65 58.18 2dno h GLN 81 Cb 0.07 0.10 0.09 0.00 0.05 0.00 0.00 27.48 27.79 2dno h GLN 81 CO 0.00 1.09 0.40 -0.65 -1.50 0.00 0.00 178.83 178.17 2dno s GLN 82 N -3.66 3.01 0.30 1.46 -1.52 -0.58 -5.06 119.66 113.60 2dno s GLN 82 Ca -0.12 1.47 0.03 0.00 -1.95 0.00 0.00 55.36 54.79 2dno s GLN 82 Cb 0.06 -1.97 -0.04 0.00 -0.22 0.00 0.00 33.01 30.84 2dno s GLN 82 CO 0.84 -1.10 0.18 -0.08 -0.25 0.00 0.00 175.29 174.88 2dno s THR 83 N -2.13 0.23 0.20 -0.19 -1.32 -1.26 -4.85 115.64 106.31 2dno s THR 83 Ca 0.69 -2.00 -0.18 0.00 -1.21 0.00 0.00 61.69 59.00 2dno s THR 83 Cb -0.22 -2.50 0.19 0.00 -1.51 0.00 0.00 72.50 68.46 2dno s THR 83 CO 0.36 0.00 1.59 -0.78 -2.21 0.00 0.00 174.62 173.59 2dno h ASP 84 N 2.24 -0.98 -0.58 8.08 1.82 -1.97 -0.33 116.42 124.69 2dno h ASP 84 Ca -0.32 0.22 0.11 0.00 -0.39 0.00 0.00 57.03 56.65 2dno h ASP 84 Cb 1.25 0.53 -0.11 0.00 0.68 0.00 0.00 39.33 41.67 2dno h ASP 84 CO 0.49 -0.28 -0.29 -0.33 -1.61 0.00 0.00 179.24 177.22 2dno h GLU 85 N -0.10 -0.13 0.05 0.28 5.08 -1.98 0.22 114.58 118.00 2dno h GLU 85 Ca 0.28 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2dno h GLU 85 Cb 0.54 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 2dno h GLU 85 CO -0.71 -0.09 -0.04 -0.44 -1.00 0.00 0.00 179.01 176.74 2dno h ASP 86 N -0.13 -0.10 -0.70 1.42 3.32 -1.49 0.26 116.42 118.99 2dno h ASP 86 Ca 0.25 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.38 2dno h ASP 86 Cb 0.53 0.03 -0.10 0.00 0.22 0.00 0.00 39.33 40.01 2dno h ASP 86 CO -0.66 -0.06 -0.55 0.58 -1.72 0.00 0.00 179.24 176.83 2dno h VAL 87 N -0.09 0.01 -0.09 -1.35 2.07 -1.09 1.02 116.25 116.73 2dno h VAL 87 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2dno h VAL 87 Cb 0.07 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 29.79 2dno h VAL 87 CO 0.00 0.00 -0.35 -0.09 0.02 0.00 0.00 177.57 177.15 2dno h ARG 88 N -0.19 -0.44 0.00 1.57 2.43 -0.56 0.49 114.38 117.68 2dno h ARG 88 Ca 0.13 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2dno h ARG 88 Cb 0.51 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2dno h ARG 88 CO -0.77 -0.29 -0.02 -0.22 -1.51 0.00 0.00 179.97 177.16 2dno h LYS 89 N -0.45 0.00 0.00 0.20 3.11 0.75 0.48 116.57 120.66 2dno h LYS 89 Ca 0.08 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.91 2dno h LYS 89 Cb 0.58 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.81 2dno h LYS 89 CO -0.34 0.02 -0.64 1.98 -2.81 0.00 0.00 179.45 177.67 2dno h MET 90 N 0.00 0.00 0.00 1.90 4.05 0.37 -3.32 114.93 117.93 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 0.10 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 2dno h MET 90 CO 0.00 0.03 -1.92 1.19 0.23 0.00 0.00 176.91 176.44 2dno n PHE 91 N -2.86 0.01 -0.28 1.39 3.01 0.15 -4.37 117.46 114.50 2dno n PHE 91 Ca 0.01 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.46 2dno n PHE 91 Cb 0.56 -0.47 0.11 0.00 -0.01 0.00 0.00 39.48 39.68 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 0.88 0.00 -1.08 4.39 -0.23 -1.61 114.58 116.93 2dno h GLU 92 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2dno h GLU 92 Cb 0.96 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2dno h GLU 92 CO 0.00 0.58 0.45 -2.30 -1.16 0.00 0.00 179.01 176.58 2dno n PRO 93 N -4.65 0.06 -0.79 2.33 -0.02 -1.26 0.12 135.00 130.79 2dno n PRO 93 Ca 0.10 0.53 0.01 0.00 -2.02 0.00 0.00 63.50 62.12 2dno n PRO 93 Cb 0.14 -2.15 0.19 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.94 0.49 0.00 6.00 3.72 -0.60 -5.07 117.46 120.04 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 0.46 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 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 1.62 3.82 1.37 0.00 0.32 -4.50 105.19 106.73 2dno n GLY 95 Ca 0.24 -2.11 -0.38 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.36 4.99 -0.27 2.61 2.01 -1.26 -4.05 115.64 118.30 2dno s THR 96 Ca 0.00 0.91 -0.11 0.00 0.31 0.00 0.00 61.69 62.80 2dno s THR 96 Cb 0.00 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 2dno s THR 96 CO 0.00 0.55 0.19 -0.63 -0.69 0.00 0.00 174.62 174.04 2dno s ILE 97 N -0.93 5.32 -0.08 1.82 1.01 -1.26 0.05 121.20 127.13 2dno s ILE 97 Ca 0.25 0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.99 2dno s ILE 97 Cb -0.17 -3.53 -0.29 0.00 0.01 0.00 0.00 42.46 38.49 2dno s ILE 97 CO 0.14 0.26 0.54 -0.78 0.00 0.00 0.00 174.94 175.10 2dno h ASP 98 N 8.26 0.51 -3.93 3.58 1.82 -1.57 -3.47 116.42 121.61 2dno h ASP 98 Ca -0.35 -0.91 -0.30 0.00 -0.39 0.00 0.00 57.03 55.07 2dno h ASP 98 Cb 1.19 -0.17 -0.28 0.00 0.68 0.00 0.00 39.33 40.75 2dno h ASP 98 CO 0.56 1.79 -0.75 -0.70 -1.61 0.00 0.00 179.24 178.54 2dno s GLU 99 N -2.57 0.35 -0.22 0.28 2.56 -1.23 -5.03 118.70 112.85 2dno s GLU 99 Ca -0.18 -0.19 -0.06 0.00 0.00 0.00 0.00 54.97 54.53 2dno s GLU 99 Cb 0.06 -0.33 0.10 0.00 2.00 0.00 0.00 34.13 35.97 2dno s GLU 99 CO 0.82 0.09 0.44 0.00 -0.56 0.00 0.00 175.26 176.04 2dno s THR 101 N 2.64 0.51 -0.09 0.00 2.01 -0.92 -5.03 115.64 114.76 2dno s THR 101 Ca 0.00 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.35 2dno s THR 101 Cb -0.12 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 2dno s THR 101 CO -0.14 -0.12 -0.09 -0.69 -0.69 0.00 0.00 174.62 172.89 2dno s VAL 102 N -0.74 3.48 -0.13 3.82 1.01 -1.26 -1.07 120.40 125.51 2dno s VAL 102 Ca -0.04 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 2dno s VAL 102 Cb -0.06 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2dno s VAL 102 CO 0.00 0.56 0.43 -0.76 0.00 0.00 0.00 175.10 175.34 2dno s LEU 103 N -0.37 4.27 0.00 3.92 1.43 -0.77 -5.01 118.68 122.16 2dno s LEU 103 Ca 0.05 0.74 0.05 0.00 -1.03 0.00 0.00 54.13 53.94 2dno s LEU 103 Cb -0.12 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 2dno s LEU 103 CO 0.02 0.03 0.30 0.54 0.23 0.00 0.00 176.35 177.47 2dno n ARG 104 N 3.61 0.43 0.00 1.70 1.74 -1.26 -2.78 116.66 120.11 2dno n ARG 104 Ca -0.08 -2.93 0.00 0.00 -0.77 0.00 0.00 57.85 54.07 2dno n ARG 104 Cb 0.52 2.49 0.00 0.00 -1.02 0.00 0.00 32.46 34.44 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 -0.57 5.46 3.42 -0.13 0.00 -0.50 -4.84 105.19 108.03 2dno n GLY 105 Ca 0.06 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 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 0.44 -2.95 1.61 -0.02 -1.26 -1.26 135.00 131.56 2dno n PRO 106 Ca 0.00 0.16 -0.18 0.00 -2.02 0.00 0.00 63.50 61.47 2dno n PRO 106 Cb 0.00 -1.44 -0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2dno n PRO 106 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2dno n ASP 107 N 1.36 -3.71 -3.19 2.55 8.00 -1.26 -0.56 116.55 119.74 2dno n ASP 107 Ca 0.11 -0.11 -0.21 0.00 0.71 0.00 0.00 54.79 55.29 2dno n ASP 107 Cb 0.42 -3.11 -0.00 0.00 -0.02 0.00 0.00 41.12 38.40 2dno n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dno n GLY 108 N -1.01 -0.49 3.63 0.44 0.00 -0.39 -4.87 105.19 102.51 2dno n GLY 108 Ca -0.07 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.88 4.11 -0.27 2.61 -4.23 0.28 -4.77 115.64 110.49 2dno s THR 109 Ca 0.33 1.25 -0.28 0.00 -1.18 0.00 0.00 61.69 61.80 2dno s THR 109 Cb -0.17 -4.13 -0.04 0.00 1.34 0.00 0.00 72.50 69.49 2dno s THR 109 CO 0.40 -0.48 2.10 -0.55 -0.54 0.00 0.00 174.62 175.56 2dno s SER 110 N 2.91 5.52 0.59 3.99 0.15 -1.26 -1.41 113.70 124.18 2dno s SER 110 Ca 0.57 1.65 0.28 0.00 0.70 0.00 0.00 55.95 59.16 2dno s SER 110 Cb -0.17 -2.51 1.64 0.00 -1.71 0.00 0.00 66.02 63.26 2dno s SER 110 CO 0.24 -1.94 2.09 0.11 1.20 0.00 0.00 173.24 174.93 2dno h LYS 111 N 14.66 0.00 0.00 5.44 1.79 -1.84 -3.44 116.57 133.18 2dno h LYS 111 Ca -0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 2dno h LYS 111 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 2dno h LYS 111 CO 0.99 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.77 2dno n GLY 112 N -1.42 1.91 3.39 3.86 0.00 -1.26 -4.93 105.19 106.74 2dno n GLY 112 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 0.45 -0.23 -0.30 0.00 0.00 -0.77 -1.84 121.76 119.06 2dno s ALA 114 Ca -0.01 -0.27 -0.10 0.00 0.00 0.00 0.00 51.96 51.58 2dno s ALA 114 Cb -0.04 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 2dno s ALA 114 CO -0.02 -0.23 0.15 -0.06 0.00 0.00 0.00 175.76 175.60 2dno s PHE 115 N -1.67 3.17 -0.11 0.00 0.08 -0.23 -1.21 117.98 118.02 2dno s PHE 115 Ca -0.13 -0.48 -0.03 0.00 0.12 0.00 0.00 56.93 56.41 2dno s PHE 115 Cb -0.06 -2.34 -0.03 0.00 -0.57 0.00 0.00 43.02 40.01 2dno s PHE 115 CO -0.00 -0.42 -0.00 0.08 -0.10 0.00 0.00 175.22 174.78 2dno s VAL 116 N 1.63 4.27 -0.10 -0.44 1.01 -0.81 -2.16 120.40 123.81 2dno s VAL 116 Ca 0.05 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.82 2dno s VAL 116 Cb -0.17 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.39 2dno s VAL 116 CO 0.06 0.57 -0.23 -0.75 0.00 0.00 0.00 175.10 174.76 2dno s LYS 117 N -0.55 3.00 0.22 2.72 2.20 0.96 -0.36 119.74 127.92 2dno s LYS 117 Ca 0.09 -0.86 0.05 0.00 -0.36 0.00 0.00 55.97 54.90 2dno s LYS 117 Cb -0.12 -2.32 -0.03 0.00 -1.51 0.00 0.00 37.83 33.85 2dno s LYS 117 CO 0.02 0.23 0.29 -0.06 -0.36 0.00 0.00 175.35 175.47 2dno s PHE 118 N 0.23 3.36 0.24 4.03 0.40 -1.14 -1.63 117.98 123.47 2dno s PHE 118 Ca -0.15 -0.01 -0.07 0.00 -0.60 0.00 0.00 56.93 56.11 2dno s PHE 118 Cb -0.17 -1.55 0.22 0.00 0.51 0.00 0.00 43.02 42.03 2dno s PHE 118 CO 0.08 0.48 1.88 0.37 0.70 0.00 0.00 175.22 178.72 2dno h GLN 119 N 1.55 1.27 -4.06 0.44 4.15 -0.73 -3.43 115.11 114.30 2dno h GLN 119 Ca -0.50 -0.12 -0.22 0.00 0.77 0.00 0.00 58.65 58.57 2dno h GLN 119 Cb 1.22 -0.26 -0.24 0.00 0.21 0.00 0.00 27.48 28.41 2dno h GLN 119 CO 0.63 0.90 -0.72 0.95 -1.93 0.00 0.00 178.83 178.66 2dno s THR 120 N -5.93 0.19 0.22 2.39 -4.23 -1.26 -5.05 115.64 101.97 2dno s THR 120 Ca -0.13 -0.61 -0.08 0.00 -1.18 0.00 0.00 61.69 59.69 2dno s THR 120 Cb 0.17 -0.27 0.19 0.00 1.34 0.00 0.00 72.50 73.94 2dno s THR 120 CO 0.82 -0.27 1.70 -0.74 -0.54 0.00 0.00 174.62 175.59 2dno h HIS 121 N 5.19 0.21 -0.93 3.99 -0.00 -1.88 -1.76 115.15 119.98 2dno h HIS 121 Ca -0.30 0.04 0.16 0.00 -0.00 0.00 0.00 60.37 60.27 2dno h HIS 121 Cb 1.21 0.01 -0.16 0.00 -0.00 0.00 0.00 27.41 28.46 2dno h HIS 121 CO 0.56 -0.06 -0.34 0.00 -0.00 0.00 0.00 177.93 178.09 2dno h ALA 122 N 1.54 0.25 -0.10 5.26 0.00 -1.98 0.18 119.26 124.41 2dno h ALA 122 Ca 0.35 0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.56 2dno h ALA 122 Cb 0.56 0.90 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 2dno h ALA 122 CO -0.45 -0.57 -0.00 0.93 0.00 0.00 0.00 179.25 179.16 2dno h GLU 123 N -0.02 0.03 -0.84 0.00 4.39 -1.59 -2.52 114.58 114.03 2dno h GLU 123 Ca 0.36 -0.00 0.21 0.00 0.34 0.00 0.00 59.36 60.27 2dno h GLU 123 Cb 0.61 -0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 29.12 2dno h GLU 123 CO -0.94 0.02 0.13 0.00 -1.16 0.00 0.00 179.01 177.06 2dno h ALA 124 N 1.08 1.07 0.21 3.43 0.00 -0.50 -0.16 119.26 124.38 2dno h ALA 124 Ca 0.05 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2dno h ALA 124 Cb 0.05 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2dno h ALA 124 CO -0.08 -0.45 -0.10 0.37 0.00 0.00 0.00 179.25 178.99 2dno h GLN 125 N 0.16 -0.27 -0.46 0.00 -0.00 -0.93 -2.88 115.11 110.73 2dno h GLN 125 Ca 0.50 0.02 0.07 0.00 -0.00 0.00 0.00 58.65 59.24 2dno h GLN 125 Cb 0.96 0.06 -0.09 0.00 0.00 0.00 0.00 27.48 28.40 2dno h GLN 125 CO -0.68 -0.14 -0.44 0.00 0.00 0.00 0.00 178.83 177.57 2dno h ALA 126 N 0.46 -0.44 -0.14 3.38 0.00 -0.73 -0.85 119.26 120.94 2dno h ALA 126 Ca -0.03 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2dno h ALA 126 Cb 0.25 0.94 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2dno h ALA 126 CO 0.05 -0.87 -0.26 0.00 0.00 0.00 0.00 179.25 178.16 2dno h ALA 127 N 0.43 -0.58 -0.69 0.00 0.00 -1.32 -2.27 119.26 114.83 2dno h ALA 127 Ca 0.14 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.15 2dno h ALA 127 Cb 0.58 0.85 -0.12 0.00 0.00 0.00 0.00 17.79 19.10 2dno h ALA 127 CO -0.61 -0.70 -0.38 0.82 0.00 0.00 0.00 179.25 178.38 2dno h ILE 128 N -0.23 0.10 -0.75 0.00 2.04 -1.24 1.12 117.51 118.55 2dno h ILE 128 Ca 0.03 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.20 2dno h ILE 128 Cb 0.30 0.10 -0.13 0.00 -0.74 0.00 0.00 36.82 36.35 2dno h ILE 128 CO -0.25 0.00 0.40 -3.20 0.00 0.00 0.00 178.15 175.10 2dno n ASN 129 N -5.43 0.26 -0.00 1.72 2.85 -0.36 -0.70 115.26 113.60 2dno n ASN 129 Ca 0.05 1.24 -0.01 0.00 -0.11 0.00 0.00 54.58 55.75 2dno n ASN 129 Cb 0.36 -0.60 -0.00 0.00 1.24 0.00 0.00 39.78 40.77 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 -4.70 0.19 -0.28 -0.44 -1.04 0.71 -4.71 114.28 104.01 2dno n THR 130 Ca 0.28 0.26 0.08 0.00 -2.04 0.00 0.00 64.05 62.63 2dno n THR 130 Cb 0.96 -1.36 0.16 0.00 -1.82 0.00 0.00 70.33 68.28 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 -2.70 -0.20 -4.50 -4.42 4.77 0.35 -3.67 117.00 106.63 2dno n LEU 131 Ca -0.01 1.35 -0.47 0.00 -0.03 0.00 0.00 56.01 56.85 2dno n LEU 131 Cb 0.04 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 40.62 2dno n LEU 131 CO 0.01 -1.33 1.85 1.57 -1.33 0.00 0.00 177.39 178.17 2dno n HIS 132 N -5.21 1.66 -3.20 -1.77 -0.00 0.12 -1.11 115.22 105.71 2dno n HIS 132 Ca 0.15 0.15 -0.15 0.00 0.46 0.00 0.00 57.72 58.33 2dno n HIS 132 Cb 0.49 -2.59 0.07 0.00 -0.12 0.00 0.00 29.99 27.83 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 10.95 -2.91 0.00 0.26 2.88 -0.98 -4.91 113.62 118.91 2dno n SER 133 Ca 0.38 -0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 2dno n SER 133 Cb 0.31 -4.16 0.00 0.00 -0.75 0.00 0.00 64.21 59.61 2dno n SER 133 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dno n SER 134 N -2.54 0.00 -4.97 -3.46 3.41 -0.26 -4.98 113.62 100.82 2dno n SER 134 Ca -0.17 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.23 2dno n SER 134 Cb 0.61 -0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.56 3.44 -0.67 4.33 1.70 -1.26 -4.97 118.95 120.96 2dno s ARG 135 Ca 0.00 -0.76 0.06 0.00 -0.47 0.00 0.00 55.73 54.55 2dno s ARG 135 Cb 0.00 -2.89 0.21 0.00 -0.57 0.00 0.00 34.95 31.70 2dno s ARG 135 CO 0.00 0.43 0.62 2.41 -1.08 0.00 0.00 175.30 177.68 2dno n THR 136 N -1.41 1.91 -0.89 4.99 -1.04 -1.26 -1.80 114.28 114.78 2dno n THR 136 Ca -0.09 -5.00 -0.29 0.00 -2.04 0.00 0.00 64.05 56.63 2dno n THR 136 Cb 0.57 -2.13 0.01 0.00 -1.82 0.00 0.00 70.33 66.96 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 1.43 -3.29 -4.67 -4.42 4.77 -1.26 -4.77 117.00 104.79 2dno n LEU 137 Ca 0.25 0.39 -0.43 0.00 -0.03 0.00 0.00 56.01 56.20 2dno n LEU 137 Cb 0.38 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 2dno n LEU 137 CO 0.33 -3.90 1.18 -2.16 -1.33 0.00 0.00 177.39 171.51 2dno s PRO 138 N -0.98 4.23 0.00 3.23 0.04 -1.26 -3.23 135.00 137.03 2dno s PRO 138 Ca 0.39 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2dno s PRO 138 Cb -0.31 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2dno s PRO 138 CO 0.54 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 177.27 2dno n GLY 139 N 3.78 1.12 2.71 0.56 0.00 -1.26 -4.89 105.19 107.20 2dno n GLY 139 Ca 0.15 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.16 0.63 0.00 4.61 0.00 -1.20 -4.95 121.76 118.70 2dno s ALA 140 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.70 2dno s ALA 140 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.22 2dno s ALA 140 CO 0.00 -0.82 0.43 0.43 0.00 0.00 0.00 175.76 175.81 2dno n SER 141 N 5.18 0.00 -4.24 0.00 7.64 -1.26 -4.61 113.62 116.32 2dno n SER 141 Ca -0.07 0.43 -0.15 0.00 1.01 0.00 0.00 58.87 60.10 2dno n SER 141 Cb 0.49 -0.12 0.05 0.00 -1.01 0.00 0.00 64.21 63.62 2dno n SER 141 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dno n SER 142 N -1.52 1.61 -4.32 6.43 7.64 -1.26 -5.09 113.62 117.11 2dno n SER 142 Ca 0.00 -2.18 -0.29 0.00 1.01 0.00 0.00 58.87 57.41 2dno n SER 142 Cb 0.00 -0.32 0.17 0.00 -1.01 0.00 0.00 64.21 63.05 2dno n SER 142 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dno s SER 143 N -3.74 2.85 -0.36 6.43 0.15 -1.26 -4.73 113.70 113.03 2dno s SER 143 Ca 0.46 0.60 -0.31 0.00 0.70 0.00 0.00 55.95 57.40 2dno s SER 143 Cb -0.04 -0.88 -0.09 0.00 -1.71 0.00 0.00 66.02 63.30 2dno s SER 143 CO 0.29 -2.93 2.26 -0.11 1.20 0.00 0.00 173.24 173.96 2dno n LEU 144 N -3.96 2.42 -4.55 3.45 7.94 -0.74 -4.72 117.00 116.83 2dno n LEU 144 Ca 0.12 0.19 -0.41 0.00 -1.11 0.00 0.00 56.01 54.80 2dno n LEU 144 Cb 0.60 -1.39 -0.03 0.00 0.53 0.00 0.00 43.42 43.13 2dno n LEU 144 CO 0.50 -0.85 1.19 -0.69 -1.11 0.00 0.00 177.39 176.43 2dno s VAL 145 N 8.47 3.72 -0.32 1.96 1.01 -0.96 -2.32 120.40 131.97 2dno s VAL 145 Ca 1.07 0.44 -0.01 0.00 0.00 0.00 0.00 61.98 63.47 2dno s VAL 145 Cb -0.61 -4.86 0.06 0.00 0.00 0.00 0.00 36.38 30.97 2dno s VAL 145 CO 0.41 -1.77 0.02 -0.69 0.00 0.00 0.00 175.10 173.07 2dno s VAL 146 N 5.85 2.94 -0.04 2.92 1.01 -1.26 0.27 120.40 132.10 2dno s VAL 146 Ca 0.37 -1.55 -0.07 0.00 0.00 0.00 0.00 61.98 60.74 2dno s VAL 146 Cb -0.08 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.54 2dno s VAL 146 CO 0.16 -0.21 0.16 -1.59 0.00 0.00 0.00 175.10 173.62 2dno s LYS 147 N 1.21 0.33 0.34 2.72 -2.85 -0.84 -4.51 119.74 116.13 2dno s LYS 147 Ca -0.03 -0.03 -0.22 0.00 -1.00 0.00 0.00 55.97 54.70 2dno s LYS 147 Cb -0.20 0.15 -0.15 0.00 -2.06 0.00 0.00 37.83 35.56 2dno s LYS 147 CO -0.02 -0.07 0.17 1.19 0.10 0.00 0.00 175.35 176.73 2dno n PHE 148 N 2.31 -1.65 -2.40 1.78 3.72 -1.26 0.10 117.46 120.06 2dno n PHE 148 Ca -0.17 0.67 -0.43 0.00 -0.05 0.00 0.00 57.45 57.47 2dno n PHE 148 Cb 0.57 -1.72 -0.02 0.00 -0.94 0.00 0.00 39.48 37.37 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 -1.44 3.65 -0.09 4.37 0.00 -0.47 -4.29 121.76 123.50 2dno s ALA 149 Ca 0.57 0.50 -0.15 0.00 0.00 0.00 0.00 51.96 52.87 2dno s ALA 149 Cb -0.67 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 18.78 2dno s ALA 149 CO 0.58 -1.16 0.40 0.16 0.00 0.00 0.00 175.76 175.74 2dno s ASP 150 N 2.02 6.66 -0.04 0.00 -4.77 -1.26 -4.96 116.67 114.31 2dno s ASP 150 Ca 0.56 0.78 -0.04 0.00 -3.30 0.00 0.00 52.55 50.55 2dno s ASP 150 Cb -0.23 -2.24 0.01 0.00 -1.09 0.00 0.00 42.92 39.37 2dno s ASP 150 CO 0.16 0.16 0.12 -0.89 0.70 0.00 0.00 175.17 175.42 2dno s THR 151 N -0.09 0.01 0.02 2.11 2.01 -1.26 -5.15 115.64 113.30 2dno s THR 151 Ca 0.22 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.12 2dno s THR 151 Cb -0.15 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 2dno s THR 151 CO 0.10 -0.06 -0.04 -1.83 -0.69 0.00 0.00 174.62 172.10 2dno s GLU 152 N -0.15 0.33 0.22 4.92 -1.05 -1.26 -5.15 118.70 116.57 2dno s GLU 152 Ca -0.02 -0.58 -0.28 0.00 -0.15 0.00 0.00 54.97 53.94 2dno s GLU 152 Cb -0.02 -0.00 -0.09 0.00 -0.44 0.00 0.00 34.13 33.58 2dno s GLU 152 CO 0.00 -0.02 0.89 0.21 0.95 0.00 0.00 175.26 177.30 2dno s LYS 153 N -1.32 4.76 0.08 -4.83 2.36 -1.26 -4.98 119.74 114.55 2dno s LYS 153 Ca -0.13 1.38 -0.31 0.00 -2.55 0.00 0.00 55.97 54.37 2dno s LYS 153 Cb -0.09 -3.25 -0.10 0.00 -1.05 0.00 0.00 37.83 33.34 2dno s LYS 153 CO -0.01 0.52 1.90 -1.91 1.55 0.00 0.00 175.35 177.40 2dno n GLU 154 N 1.47 2.80 -2.89 4.03 2.13 -1.26 -4.98 120.64 121.94 2dno n GLU 154 Ca -0.03 1.02 -0.19 0.00 0.66 0.00 0.00 57.16 58.62 2dno n GLU 154 Cb 0.48 -2.94 0.04 0.00 0.27 0.00 0.00 31.44 29.29 2dno n GLU 154 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2dno s SER 155 N 3.47 5.27 0.00 4.31 1.04 -1.26 -5.08 113.70 121.45 2dno s SER 155 Ca 0.85 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2dno s SER 155 Cb -0.47 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.29 2dno s SER 155 CO 0.40 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 174.09 2dno n GLY 156 N -2.18 0.19 3.58 7.32 0.00 -1.26 -5.10 105.19 107.74 2dno n GLY 156 Ca 0.11 0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 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 3.36 0.01 1.61 0.04 -1.26 -4.99 135.00 133.76 2dno s PRO 157 Ca 0.00 0.42 0.04 0.00 0.04 0.00 0.00 61.00 61.50 2dno s PRO 157 Cb 0.00 -4.10 -0.01 0.00 0.04 0.00 0.00 34.50 30.43 2dno s PRO 157 CO 0.00 -1.87 -0.13 -1.54 0.04 0.00 0.00 177.00 173.50 2dno s SER 158 N 4.09 1.47 -0.26 6.66 1.04 -1.26 -5.05 113.70 120.39 2dno s SER 158 Ca 0.51 -0.30 -0.12 0.00 0.48 0.00 0.00 55.95 56.52 2dno s SER 158 Cb -0.10 -0.13 -0.11 0.00 0.10 0.00 0.00 66.02 65.77 2dno s SER 158 CO 0.25 0.10 -0.32 -1.20 0.98 0.00 0.00 173.24 173.05 2dno n SER 159 N 2.46 1.82 0.00 7.02 7.64 -1.26 -5.34 113.62 125.97 2dno n SER 159 Ca -0.15 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2dno n SER 159 Cb 0.55 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 2dno n SER 159 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64