#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 -0.13 0.00 1.61 0.15 -1.26 -5.07 113.70 109.00 2dno s SER 60 Ca 0.00 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.58 2dno s SER 60 Cb 0.00 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2dno s SER 60 CO 0.00 -0.51 0.00 -1.54 1.20 0.00 0.00 173.24 172.39 2dno n SER 61 N 0.99 0.16 0.00 5.45 3.41 -1.26 -5.15 113.62 117.22 2dno n SER 61 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 2dno n SER 61 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 2dno n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dno n GLY 62 N 1.92 0.99 3.22 5.00 0.00 -1.26 -5.08 105.19 109.97 2dno n GLY 62 Ca 0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.00 1.03 0.00 1.61 0.01 -1.26 -5.04 113.70 106.05 2dno s SER 63 Ca 0.00 -1.16 0.21 0.00 1.31 0.00 0.00 55.95 56.30 2dno s SER 63 Cb 0.00 0.15 0.53 0.00 0.21 0.00 0.00 66.02 66.91 2dno s SER 63 CO 0.00 -0.59 1.45 -1.54 0.41 0.00 0.00 173.24 172.97 2dno n SER 64 N -0.19 3.06 0.00 2.44 3.41 -1.26 -5.04 113.62 116.03 2dno n SER 64 Ca -0.07 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 2dno n SER 64 Cb 0.63 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2dno n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dno n GLY 65 N 1.43 2.18 2.79 5.00 0.00 -1.26 -4.84 105.19 110.49 2dno n GLY 65 Ca 0.19 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 2dno n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dno n SER 66 N 5.45 2.67 -2.13 1.61 3.41 -1.26 -5.05 113.62 118.32 2dno n SER 66 Ca 0.00 -2.73 -0.28 0.00 -0.26 0.00 0.00 58.87 55.60 2dno n SER 66 Cb 0.00 0.40 0.10 0.00 -0.26 0.00 0.00 64.21 64.44 2dno n SER 66 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2dno n ARG 67 N -0.93 2.70 -3.70 4.33 1.74 -1.26 -4.91 116.66 114.63 2dno n ARG 67 Ca -0.14 -3.40 -0.38 0.00 -0.77 0.00 0.00 57.85 53.16 2dno n ARG 67 Cb 0.50 -2.22 -0.11 0.00 -1.02 0.00 0.00 32.46 29.61 2dno n ARG 67 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2dno s GLY 68 N -2.16 1.94 -0.30 -0.13 0.00 -1.26 -4.96 107.32 100.45 2dno s GLY 68 Ca 0.59 -2.19 -0.02 0.00 0.00 0.00 0.00 44.72 43.10 2dno s GLY 68 CO 0.02 0.94 2.31 1.18 0.00 0.00 0.00 173.10 177.55 2dno n GLU 69 N 4.78 1.89 -4.00 2.90 4.71 -1.26 -4.86 120.64 124.79 2dno n GLU 69 Ca -0.08 -1.57 -0.35 0.00 -0.01 0.00 0.00 57.16 55.15 2dno n GLU 69 Cb 0.43 -1.71 -0.13 0.00 -1.01 0.00 0.00 31.44 29.01 2dno n GLU 69 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2dno s ASP 70 N 0.52 4.55 0.11 1.62 -1.08 -1.26 -5.00 116.67 116.13 2dno s ASP 70 Ca 0.37 -0.30 -0.15 0.00 -0.52 0.00 0.00 52.55 51.95 2dno s ASP 70 Cb 0.26 -1.78 -0.04 0.00 -1.46 0.00 0.00 42.92 39.90 2dno s ASP 70 CO -0.06 0.02 1.55 0.03 0.52 0.00 0.00 175.17 177.23 2dno h ARG 71 N 7.82 0.65 -7.10 4.34 3.08 -1.91 -3.45 114.38 117.81 2dno h ARG 71 Ca -0.38 -0.21 -0.54 0.00 0.07 0.00 0.00 59.98 58.92 2dno h ARG 71 Cb 1.17 -0.06 0.19 0.00 0.08 0.00 0.00 29.97 31.35 2dno h ARG 71 CO 0.60 0.77 0.15 1.17 -1.07 0.00 0.00 179.97 181.59 2dno n LYS 72 N -4.47 0.09 -3.77 0.04 4.81 -1.26 -3.77 118.16 109.82 2dno n LYS 72 Ca -0.02 0.10 -0.14 0.00 -0.87 0.00 0.00 58.31 57.39 2dno n LYS 72 Cb 0.29 -2.31 -0.15 0.00 0.02 0.00 0.00 35.03 32.88 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 -4.67 1.06 -0.23 3.14 1.43 0.22 -3.01 118.68 116.62 2dno s LEU 73 Ca 0.70 0.12 -0.23 0.00 -1.03 0.00 0.00 54.13 53.70 2dno s LEU 73 Cb -0.29 0.09 -0.01 0.00 0.03 0.00 0.00 46.19 46.01 2dno s LEU 73 CO 0.54 -0.12 0.74 0.12 0.23 0.00 0.00 176.35 177.86 2dno s PHE 74 N 0.98 3.33 -0.07 0.29 5.36 0.16 -1.73 117.98 126.29 2dno s PHE 74 Ca -0.08 1.03 0.02 0.00 -0.96 0.00 0.00 56.93 56.95 2dno s PHE 74 Cb -0.11 -2.95 -0.02 0.00 -0.34 0.00 0.00 43.02 39.60 2dno s PHE 74 CO -0.04 -0.32 -0.14 0.08 -1.46 0.00 0.00 175.22 173.35 2dno s VAL 75 N 2.51 3.09 0.41 3.12 1.01 -0.31 -1.76 120.40 128.48 2dno s VAL 75 Ca 0.32 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.65 2dno s VAL 75 Cb -0.16 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 2dno s VAL 75 CO 0.09 0.57 0.18 -0.83 0.00 0.00 0.00 175.10 175.11 2dno s GLY 76 N -0.44 2.68 -1.11 4.51 0.00 0.62 -1.06 107.32 112.51 2dno s GLY 76 Ca 0.05 -1.31 -0.03 0.00 0.00 0.00 0.00 44.72 43.44 2dno s GLY 76 CO 0.02 -1.76 0.94 1.03 0.00 0.00 0.00 173.10 173.33 2dno n MET 77 N -0.90 -6.28 -3.88 2.90 2.81 -0.12 -2.82 117.12 108.83 2dno n MET 77 Ca -0.03 0.75 -0.21 0.00 -1.81 0.00 0.00 57.70 56.40 2dno n MET 77 Cb 0.64 -5.49 -0.02 0.00 -0.71 0.00 0.00 33.22 27.63 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 -6.11 4.04 0.30 4.03 1.43 0.12 -4.66 118.68 117.83 2dno s LEU 78 Ca 0.17 -0.13 0.10 0.00 -1.03 0.00 0.00 54.13 53.25 2dno s LEU 78 Cb -0.08 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.45 2dno s LEU 78 CO 0.65 -0.17 -0.09 -0.83 0.23 0.00 0.00 176.35 176.14 2dno s GLY 79 N -3.99 1.91 0.23 -3.19 0.00 -1.26 -4.39 107.32 96.63 2dno s GLY 79 Ca 0.37 -1.87 -0.09 0.00 0.00 0.00 0.00 44.72 43.13 2dno s GLY 79 CO 0.28 -1.90 1.65 1.70 0.00 0.00 0.00 173.10 174.84 2dno h LYS 80 N 2.03 0.12 -0.14 2.90 1.63 -1.92 -1.32 116.57 119.88 2dno h LYS 80 Ca -0.42 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.42 2dno h LYS 80 Cb 1.25 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 32.80 2dno h LYS 80 CO 0.63 0.08 -0.29 0.37 -3.45 0.00 0.00 179.45 176.78 2dno h GLN 81 N 0.12 -0.35 -6.26 1.90 5.75 -1.95 -3.38 115.11 110.94 2dno h GLN 81 Ca 0.36 0.02 -0.57 0.00 -0.15 0.00 0.00 58.65 58.32 2dno h GLN 81 Cb 0.61 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 2dno h GLN 81 CO -0.58 -0.23 1.23 -0.65 -2.65 0.00 0.00 178.83 175.94 2dno s GLN 82 N -6.03 3.56 0.48 1.69 1.11 -0.50 -4.91 119.66 115.06 2dno s GLN 82 Ca -0.15 1.64 0.03 0.00 0.01 0.00 0.00 55.36 56.88 2dno s GLN 82 Cb 0.11 -4.14 -0.03 0.00 -1.01 0.00 0.00 33.01 27.94 2dno s GLN 82 CO 0.66 -1.59 0.02 0.95 0.01 0.00 0.00 175.29 175.34 2dno s THR 83 N 6.14 1.28 0.33 -0.19 -4.23 -1.26 -4.51 115.64 113.19 2dno s THR 83 Ca 0.78 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.42 2dno s THR 83 Cb -0.25 -2.36 0.36 0.00 1.34 0.00 0.00 72.50 71.59 2dno s THR 83 CO 0.32 0.00 1.49 -0.90 -0.54 0.00 0.00 174.62 174.99 2dno n ASP 84 N -1.20 0.14 0.21 3.99 5.75 -1.26 0.37 116.55 124.56 2dno n ASP 84 Ca -0.15 1.58 -0.15 0.00 -0.01 0.00 0.00 54.79 56.06 2dno n ASP 84 Cb 0.67 -0.69 -0.08 0.00 -1.03 0.00 0.00 41.12 39.99 2dno n ASP 84 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2dno h GLU 85 N 0.00 -0.48 0.00 0.11 4.81 -1.96 -1.65 114.58 115.41 2dno h GLU 85 Ca 0.71 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.97 2dno h GLU 85 Cb 1.73 0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.21 2dno h GLU 85 CO -0.80 -0.28 0.00 -0.25 -0.73 0.00 0.00 179.01 176.95 2dno n ASP 86 N -5.28 0.00 -0.31 1.04 8.00 0.16 -1.11 116.55 119.05 2dno n ASP 86 Ca -0.11 0.87 0.27 0.00 0.71 0.00 0.00 54.79 56.53 2dno n ASP 86 Cb 0.23 -0.37 0.50 0.00 -0.02 0.00 0.00 41.12 41.46 2dno n ASP 86 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2dno n VAL 87 N -1.78 -0.40 0.36 2.53 0.31 -0.61 0.59 118.33 119.32 2dno n VAL 87 Ca 0.00 1.98 -0.14 0.00 -0.01 0.00 0.00 64.34 66.17 2dno n VAL 87 Cb 0.00 -3.13 -0.07 0.00 -0.91 0.00 0.00 33.84 29.73 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 -0.88 0.00 5.55 2.43 -1.02 0.28 114.38 120.74 2dno h ARG 88 Ca 0.76 0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.99 2dno h ARG 88 Cb 1.92 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 31.67 2dno h ARG 88 CO -0.77 -0.59 -0.01 -0.22 -1.51 0.00 0.00 179.97 176.88 2dno h LYS 89 N -0.96 0.00 0.00 0.20 3.64 0.71 0.17 116.57 120.34 2dno h LYS 89 Ca -0.09 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 2dno h LYS 89 Cb 0.70 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2dno h LYS 89 CO 0.15 0.01 -0.75 1.98 -2.27 0.00 0.00 179.45 178.57 2dno h MET 90 N 0.00 0.00 0.00 1.90 4.05 0.47 -3.31 114.93 118.04 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 0.08 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 2dno h MET 90 CO 0.00 0.21 -1.37 1.19 0.23 0.00 0.00 176.91 177.16 2dno n PHE 91 N -2.97 0.07 -0.27 1.39 3.01 0.96 -4.32 117.46 115.32 2dno n PHE 91 Ca -0.01 0.02 -0.05 0.00 1.01 0.00 0.00 57.45 58.42 2dno n PHE 91 Cb 0.67 -0.29 0.06 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 1.01 0.00 -1.08 5.08 -0.84 -2.21 114.58 116.55 2dno h GLU 92 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2dno h GLU 92 Cb 0.74 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2dno h GLU 92 CO 0.00 0.70 0.45 -1.35 -1.00 0.00 0.00 179.01 177.81 2dno h PRO 93 N 1.02 0.00 -0.13 2.33 0.11 -1.75 0.91 132.00 134.50 2dno h PRO 93 Ca 0.27 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.30 2dno h PRO 93 Cb -0.06 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 30.99 2dno h PRO 93 CO -0.05 0.00 -0.48 1.19 -0.21 0.00 0.00 178.00 178.45 2dno n PHE 94 N -1.97 0.44 0.00 0.65 3.72 -0.83 -5.07 117.46 114.40 2dno n PHE 94 Ca -0.01 -1.60 0.00 0.00 -0.05 0.00 0.00 57.45 55.80 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 1.62 3.74 1.37 0.00 0.32 -4.51 105.19 106.65 2dno n GLY 95 Ca 0.24 -2.09 -0.37 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 -1.35 5.21 -0.12 2.61 2.01 -1.26 -4.06 115.64 118.68 2dno s THR 96 Ca 0.00 0.82 -0.17 0.00 0.31 0.00 0.00 61.69 62.66 2dno s THR 96 Cb 0.00 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2dno s THR 96 CO 0.00 0.37 0.42 -0.63 -0.69 0.00 0.00 174.62 174.09 2dno s ILE 97 N 0.40 5.20 -0.25 1.82 1.01 -1.26 0.08 121.20 128.19 2dno s ILE 97 Ca 0.23 0.84 -0.06 0.00 0.00 0.00 0.00 60.65 61.66 2dno s ILE 97 Cb -0.15 -3.76 -0.13 0.00 0.01 0.00 0.00 42.46 38.43 2dno s ILE 97 CO 0.09 0.37 -0.28 -0.67 0.00 0.00 0.00 174.94 174.44 2dno n ASP 98 N 3.47 1.96 -4.02 3.58 2.03 -0.08 -4.90 116.55 118.58 2dno n ASP 98 Ca -0.09 0.11 -0.25 0.00 0.52 0.00 0.00 54.79 55.08 2dno n ASP 98 Cb 0.52 -0.59 -0.17 0.00 -0.72 0.00 0.00 41.12 40.16 2dno n ASP 98 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2dno s GLU 99 N -2.48 1.76 -0.04 -0.67 2.56 -1.22 -5.02 118.70 113.59 2dno s GLU 99 Ca -0.34 -0.42 -0.01 0.00 0.00 0.00 0.00 54.97 54.19 2dno s GLU 99 Cb 0.11 -1.48 0.03 0.00 2.00 0.00 0.00 34.13 34.80 2dno s GLU 99 CO 0.50 0.00 0.08 0.00 -0.56 0.00 0.00 175.26 175.28 2dno s THR 101 N 1.21 0.16 -0.09 0.00 2.01 -0.66 -5.02 115.64 113.25 2dno s THR 101 Ca -0.08 -1.28 0.04 0.00 0.31 0.00 0.00 61.69 60.68 2dno s THR 101 Cb -0.12 -1.31 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 2dno s THR 101 CO -0.04 -0.71 -0.23 -0.69 -0.69 0.00 0.00 174.62 172.26 2dno s VAL 102 N -3.66 2.15 0.28 3.82 1.01 -1.26 -0.60 120.40 122.13 2dno s VAL 102 Ca 0.04 -1.00 -0.23 0.00 0.00 0.00 0.00 61.98 60.78 2dno s VAL 102 Cb 0.05 -1.81 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 2dno s VAL 102 CO -0.10 0.56 0.85 -0.76 0.00 0.00 0.00 175.10 175.66 2dno s LEU 103 N 0.16 4.34 0.17 3.92 1.43 -0.72 -4.98 118.68 122.99 2dno s LEU 103 Ca -0.13 1.66 -0.01 0.00 -1.03 0.00 0.00 54.13 54.63 2dno s LEU 103 Cb -0.16 -3.84 -0.04 0.00 0.03 0.00 0.00 46.19 42.17 2dno s LEU 103 CO 0.07 -0.03 0.09 -0.13 0.23 0.00 0.00 176.35 176.58 2dno s ARG 104 N -2.03 1.08 0.64 1.70 0.52 -1.26 -3.39 118.95 116.21 2dno s ARG 104 Ca 0.47 -1.55 0.03 0.00 -0.52 0.00 0.00 55.73 54.16 2dno s ARG 104 Cb -0.18 0.19 0.10 0.00 0.52 0.00 0.00 34.95 35.58 2dno s ARG 104 CO 0.22 -0.31 0.89 0.20 0.02 0.00 0.00 175.30 176.32 2dno s GLY 105 N -3.12 1.77 0.53 -3.53 0.00 -1.15 -4.87 107.32 96.95 2dno s GLY 105 Ca 0.31 -1.77 0.39 0.00 0.00 0.00 0.00 44.72 43.65 2dno s GLY 105 CO 0.07 -1.29 1.72 -2.55 0.00 0.00 0.00 173.10 171.05 2dno h PRO 106 N -0.19 0.04 0.03 2.90 0.11 -2.02 0.18 132.00 133.03 2dno h PRO 106 Ca -0.36 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.66 2dno h PRO 106 Cb 1.28 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.39 2dno h PRO 106 CO 0.42 0.02 -0.39 -0.44 -0.21 0.00 0.00 178.00 177.41 2dno h ASP 107 N 0.04 0.29 0.00 -2.05 5.19 -2.06 -3.48 116.42 114.34 2dno h ASP 107 Ca 0.70 -0.85 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 2dno h ASP 107 Cb 2.68 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 42.10 2dno h ASP 107 CO -0.06 1.11 0.00 0.61 -3.12 0.00 0.00 179.24 177.77 2dno n GLY 108 N 1.28 1.56 3.76 2.75 0.00 0.62 -5.11 105.19 110.04 2dno n GLY 108 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.97 2.60 -0.20 2.61 -4.23 -1.26 -4.57 115.64 109.62 2dno s THR 109 Ca 0.00 0.54 -0.29 0.00 -1.18 0.00 0.00 61.69 60.77 2dno s THR 109 Cb 0.00 -3.35 -0.06 0.00 1.34 0.00 0.00 72.50 70.44 2dno s THR 109 CO 0.00 0.10 2.20 -1.54 -0.54 0.00 0.00 174.62 174.85 2dno n SER 110 N 1.69 3.29 -0.08 3.99 3.41 -1.26 -2.93 113.62 121.73 2dno n SER 110 Ca 0.04 0.27 0.06 0.00 -0.26 0.00 0.00 58.87 58.99 2dno n SER 110 Cb 0.41 -1.54 0.42 0.00 -0.26 0.00 0.00 64.21 63.23 2dno n SER 110 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2dno h LYS 111 N 14.56 0.57 0.00 4.33 1.79 -1.89 -3.45 116.57 132.48 2dno h LYS 111 Ca -0.41 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2dno h LYS 111 Cb 1.24 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 2dno h LYS 111 CO 0.96 0.38 0.00 0.41 -1.08 0.00 0.00 179.45 180.12 2dno n GLY 112 N -1.48 1.38 3.08 3.86 0.00 -1.26 -4.86 105.19 105.91 2dno n GLY 112 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.01 -0.91 -0.18 0.00 0.00 -0.23 -1.76 121.76 115.67 2dno s ALA 114 Ca -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 2dno s ALA 114 Cb 0.01 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 2dno s ALA 114 CO -0.07 -0.74 -0.10 -0.06 0.00 0.00 0.00 175.76 174.79 2dno s PHE 115 N -3.85 2.87 -0.06 0.00 0.08 0.23 -1.16 117.98 116.09 2dno s PHE 115 Ca 0.07 -0.95 0.04 0.00 0.12 0.00 0.00 56.93 56.20 2dno s PHE 115 Cb 0.00 -1.97 -0.02 0.00 -0.57 0.00 0.00 43.02 40.46 2dno s PHE 115 CO -0.06 -0.47 -0.17 0.08 -0.10 0.00 0.00 175.22 174.50 2dno s VAL 116 N 1.02 2.82 -0.16 -0.44 1.01 -0.71 -1.65 120.40 122.29 2dno s VAL 116 Ca -0.01 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2dno s VAL 116 Cb -0.15 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.15 2dno s VAL 116 CO -0.02 0.57 -0.18 -0.75 0.00 0.00 0.00 175.10 174.73 2dno s LYS 117 N -0.41 2.71 0.29 2.72 2.20 0.72 0.68 119.74 128.65 2dno s LYS 117 Ca 0.04 -0.72 -0.05 0.00 -0.36 0.00 0.00 55.97 54.88 2dno s LYS 117 Cb -0.12 -2.36 -0.05 0.00 -1.51 0.00 0.00 37.83 33.79 2dno s LYS 117 CO 0.02 -0.19 0.55 -0.06 -0.36 0.00 0.00 175.35 175.31 2dno s PHE 118 N 1.29 3.48 0.27 4.03 0.08 -1.25 -0.91 117.98 124.97 2dno s PHE 118 Ca 0.03 0.65 -0.00 0.00 0.12 0.00 0.00 56.93 57.73 2dno s PHE 118 Cb -0.13 -2.11 0.54 0.00 -0.57 0.00 0.00 43.02 40.74 2dno s PHE 118 CO -0.10 0.17 1.79 0.37 -0.10 0.00 0.00 175.22 177.35 2dno h GLN 119 N 1.70 0.74 -4.67 0.44 4.15 -0.71 -3.44 115.11 113.33 2dno h GLN 119 Ca -0.48 -0.04 -0.25 0.00 0.77 0.00 0.00 58.65 58.65 2dno h GLN 119 Cb 1.19 -0.17 -0.15 0.00 0.21 0.00 0.00 27.48 28.56 2dno h GLN 119 CO 0.66 0.49 -0.66 0.95 -1.93 0.00 0.00 178.83 178.34 2dno s THR 120 N -5.96 0.52 0.06 2.39 -4.23 -1.26 -5.07 115.64 102.09 2dno s THR 120 Ca -0.12 -1.95 -0.31 0.00 -1.18 0.00 0.00 61.69 58.13 2dno s THR 120 Cb 0.22 -2.02 -0.18 0.00 1.34 0.00 0.00 72.50 71.85 2dno s THR 120 CO 0.79 -0.54 1.56 -0.74 -0.54 0.00 0.00 174.62 175.14 2dno h HIS 121 N 2.79 -0.70 -0.25 3.99 -0.00 -1.92 -2.89 115.15 116.17 2dno h HIS 121 Ca -0.36 -0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.02 2dno h HIS 121 Cb 1.20 0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 28.81 2dno h HIS 121 CO 0.52 -0.41 -0.15 0.00 -0.00 0.00 0.00 177.93 177.89 2dno n ALA 122 N -2.45 -0.16 -0.32 5.26 0.00 -1.26 0.16 120.51 121.73 2dno n ALA 122 Ca -0.12 0.21 0.23 0.00 0.00 0.00 0.00 53.44 53.76 2dno n ALA 122 Cb 0.32 0.25 0.52 0.00 0.00 0.00 0.00 19.45 20.54 2dno n ALA 122 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dno h GLU 123 N 0.00 0.36 0.23 0.00 4.39 -1.83 -0.56 114.58 117.17 2dno h GLU 123 Ca 0.04 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2dno h GLU 123 Cb 0.10 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2dno h GLU 123 CO -0.23 0.24 -0.21 0.00 -1.16 0.00 0.00 179.01 177.65 2dno h ALA 124 N 1.61 -0.44 -0.80 3.43 0.00 0.17 -2.64 119.26 120.60 2dno h ALA 124 Ca 0.60 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.51 2dno h ALA 124 Cb 1.55 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 19.57 2dno h ALA 124 CO -0.29 -0.77 0.47 0.37 0.00 0.00 0.00 179.25 179.04 2dno h GLN 125 N -0.46 0.82 -0.22 0.00 -0.00 -0.08 -2.95 115.11 112.23 2dno h GLN 125 Ca -0.01 -0.05 0.03 0.00 -0.00 0.00 0.00 58.65 58.62 2dno h GLN 125 Cb 0.42 -0.19 -0.05 0.00 0.00 0.00 0.00 27.48 27.67 2dno h GLN 125 CO -0.03 0.55 -0.38 0.00 0.00 0.00 0.00 178.83 178.96 2dno h ALA 126 N 1.40 -0.68 -0.26 3.38 0.00 -1.08 -1.63 119.26 120.40 2dno h ALA 126 Ca 0.36 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.28 2dno h ALA 126 Cb 0.23 0.96 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2dno h ALA 126 CO -0.19 -0.84 -0.17 0.00 0.00 0.00 0.00 179.25 178.04 2dno h ALA 127 N -0.51 -0.20 -0.92 0.00 0.00 -1.33 -1.26 119.26 115.04 2dno h ALA 127 Ca 0.04 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.09 2dno h ALA 127 Cb 0.43 1.06 -0.13 0.00 0.00 0.00 0.00 17.79 19.16 2dno h ALA 127 CO -0.37 -0.31 -0.51 0.82 0.00 0.00 0.00 179.25 178.87 2dno h ILE 128 N -0.02 0.01 -0.75 0.00 2.04 -1.50 1.07 117.51 118.36 2dno h ILE 128 Ca 0.04 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.15 2dno h ILE 128 Cb 0.13 0.01 -0.14 0.00 -0.74 0.00 0.00 36.82 36.08 2dno h ILE 128 CO -0.25 0.00 0.16 -3.20 0.00 0.00 0.00 178.15 174.86 2dno n ASN 129 N -5.34 0.04 0.00 1.72 2.85 -0.49 -0.52 115.26 113.52 2dno n ASN 129 Ca 0.04 1.27 0.00 0.00 -0.11 0.00 0.00 54.58 55.78 2dno n ASN 129 Cb 0.32 -0.52 0.00 0.00 1.24 0.00 0.00 39.78 40.82 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 -4.92 0.00 -0.27 -0.44 -1.04 0.12 -4.67 114.28 103.06 2dno n THR 130 Ca 0.22 0.39 0.01 0.00 -2.04 0.00 0.00 64.05 62.62 2dno n THR 130 Cb 0.73 -1.38 0.05 0.00 -1.82 0.00 0.00 70.33 67.91 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 -2.38 -0.41 -3.60 -4.42 4.77 0.33 -3.96 117.00 107.31 2dno n LEU 131 Ca 0.00 1.26 -0.51 0.00 -0.03 0.00 0.00 56.01 56.73 2dno n LEU 131 Cb 0.00 -0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 40.69 2dno n LEU 131 CO 0.00 -1.15 1.04 1.57 -1.33 0.00 0.00 177.39 177.52 2dno n HIS 132 N -5.10 1.24 -4.21 -1.77 -0.00 0.32 0.63 115.22 106.33 2dno n HIS 132 Ca 0.09 0.81 -0.35 0.00 0.46 0.00 0.00 57.72 58.73 2dno n HIS 132 Cb 0.31 -1.76 -0.06 0.00 -0.12 0.00 0.00 29.99 28.36 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 3.97 -0.48 0.00 0.26 7.64 0.43 -4.85 113.62 120.58 2dno n SER 133 Ca 0.30 -1.25 0.00 0.00 1.01 0.00 0.00 58.87 58.93 2dno n SER 133 Cb -0.04 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 61.62 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 -2.56 0.00 -5.01 6.43 2.88 0.20 -4.74 113.62 110.82 2dno n SER 134 Ca -0.26 0.12 -0.19 0.00 -1.33 0.00 0.00 58.87 57.21 2dno n SER 134 Cb 0.64 -0.30 0.05 0.00 -0.75 0.00 0.00 64.21 63.85 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 -0.59 2.46 -0.55 -1.46 1.70 -1.26 -4.80 118.95 114.45 2dno s ARG 135 Ca 0.00 -1.46 0.05 0.00 -0.47 0.00 0.00 55.73 53.85 2dno s ARG 135 Cb 0.00 -2.67 0.19 0.00 -0.57 0.00 0.00 34.95 31.91 2dno s ARG 135 CO 0.00 -0.69 0.49 2.41 -1.08 0.00 0.00 175.30 176.43 2dno n THR 136 N -2.14 0.41 -1.19 4.99 -1.04 -1.26 0.76 114.28 114.81 2dno n THR 136 Ca 0.13 -4.29 -0.40 0.00 -2.04 0.00 0.00 64.05 57.45 2dno n THR 136 Cb 0.61 -1.95 -0.02 0.00 -1.82 0.00 0.00 70.33 67.15 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 2.01 -1.76 -4.64 -4.42 4.77 -1.26 -4.64 117.00 107.05 2dno n LEU 137 Ca 0.25 0.87 -0.58 0.00 -0.03 0.00 0.00 56.01 56.52 2dno n LEU 137 Cb 0.43 -0.81 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 2dno n LEU 137 CO 0.21 -3.13 1.42 -2.65 -1.33 0.00 0.00 177.39 171.91 2dno n PRO 138 N 1.02 0.97 -2.01 3.23 -0.02 -1.26 -2.17 135.00 134.76 2dno n PRO 138 Ca 0.13 0.34 -0.01 0.00 -2.02 0.00 0.00 63.50 61.94 2dno n PRO 138 Cb 0.28 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 4.79 0.45 2.61 -1.23 0.00 -1.26 -4.86 105.19 105.70 2dno n GLY 139 Ca 0.31 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.02 0.41 0.00 4.61 0.00 -0.92 -4.88 121.76 117.96 2dno s ALA 140 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2dno s ALA 140 Cb -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 22.10 2dno s ALA 140 CO 0.04 -1.15 0.43 0.43 0.00 0.00 0.00 175.76 175.50 2dno n SER 141 N 5.28 0.00 -3.69 0.00 7.64 -1.26 -4.61 113.62 116.98 2dno n SER 141 Ca -0.07 0.43 -0.11 0.00 1.01 0.00 0.00 58.87 60.13 2dno n SER 141 Cb 0.49 -0.13 0.04 0.00 -1.01 0.00 0.00 64.21 63.60 2dno n SER 141 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dno n SER 142 N -1.58 1.21 -3.57 6.43 3.41 -1.26 -5.11 113.62 113.16 2dno n SER 142 Ca 0.00 -1.88 -0.28 0.00 -0.26 0.00 0.00 58.87 56.45 2dno n SER 142 Cb 0.00 -0.25 0.22 0.00 -0.26 0.00 0.00 64.21 63.92 2dno n SER 142 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dno n SER 143 N -2.62 -1.32 -4.55 4.04 7.64 -1.26 -4.74 113.62 110.81 2dno n SER 143 Ca 0.09 -1.23 -0.34 0.00 1.01 0.00 0.00 58.87 58.40 2dno n SER 143 Cb 0.34 -0.94 -0.04 0.00 -1.01 0.00 0.00 64.21 62.57 2dno n SER 143 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2dno s LEU 144 N 0.00 3.27 -0.36 -3.43 2.96 0.23 -4.68 118.68 116.67 2dno s LEU 144 Ca 0.67 0.36 -0.29 0.00 -0.22 0.00 0.00 54.13 54.65 2dno s LEU 144 Cb -0.05 -2.53 -0.00 0.00 0.50 0.00 0.00 46.19 44.11 2dno s LEU 144 CO 0.50 -2.67 1.53 -0.69 -1.32 0.00 0.00 176.35 173.71 2dno s VAL 145 N 10.44 3.78 -0.08 1.68 1.01 -1.13 0.16 120.40 136.26 2dno s VAL 145 Ca 0.77 0.80 0.04 0.00 0.00 0.00 0.00 61.98 63.59 2dno s VAL 145 Cb -0.13 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.26 2dno s VAL 145 CO 0.18 -0.60 -0.20 -0.69 0.00 0.00 0.00 175.10 173.79 2dno s VAL 146 N 5.76 1.73 0.37 2.92 1.01 -1.26 -0.27 120.40 130.65 2dno s VAL 146 Ca 0.67 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.69 2dno s VAL 146 Cb -0.17 -1.51 0.05 0.00 0.00 0.00 0.00 36.38 34.74 2dno s VAL 146 CO 0.32 0.49 0.71 2.29 0.00 0.00 0.00 175.10 178.91 2dno n LYS 147 N 3.54 1.02 -2.36 2.72 2.85 -0.72 -4.45 118.16 120.76 2dno n LYS 147 Ca -0.20 -2.15 -0.33 0.00 -1.05 0.00 0.00 58.31 54.58 2dno n LYS 147 Cb 0.53 2.60 -0.02 0.00 -0.65 0.00 0.00 35.03 37.49 2dno n LYS 147 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2dno s PHE 148 N -2.64 3.01 0.59 5.58 0.08 -1.26 0.36 117.98 123.70 2dno s PHE 148 Ca 0.16 1.55 -0.07 0.00 0.12 0.00 0.00 56.93 58.69 2dno s PHE 148 Cb -0.04 -3.03 -0.00 0.00 -0.57 0.00 0.00 43.02 39.37 2dno s PHE 148 CO 0.12 -0.91 0.92 0.00 -0.10 0.00 0.00 175.22 175.25 2dno s ALA 149 N -2.17 3.25 -0.42 5.36 0.00 -1.16 -4.06 121.76 122.55 2dno s ALA 149 Ca 0.66 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.06 2dno s ALA 149 Cb -0.16 -2.69 0.12 0.00 0.00 0.00 0.00 23.12 20.39 2dno s ALA 149 CO 0.26 -0.77 0.19 0.34 0.00 0.00 0.00 175.76 175.78 2dno s ASP 150 N -4.27 4.08 -0.17 0.00 2.15 -1.26 -4.94 116.67 112.26 2dno s ASP 150 Ca 0.53 -2.48 -0.04 0.00 0.43 0.00 0.00 52.55 51.00 2dno s ASP 150 Cb -0.11 -1.27 0.08 0.00 -0.30 0.00 0.00 42.92 41.33 2dno s ASP 150 CO 0.47 -0.30 0.21 0.42 -0.17 0.00 0.00 175.17 175.80 2dno s THR 151 N 0.49 -0.32 -0.19 1.71 -4.23 -1.26 -5.13 115.64 106.72 2dno s THR 151 Ca 0.15 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.38 2dno s THR 151 Cb -0.23 -0.59 -0.00 0.00 1.34 0.00 0.00 72.50 73.02 2dno s THR 151 CO -0.05 -0.11 0.98 -1.61 -0.54 0.00 0.00 174.62 173.28 2dno s GLU 152 N 2.33 4.31 -0.10 3.99 0.41 -1.26 -4.96 118.70 123.42 2dno s GLU 152 Ca 0.05 1.28 -0.02 0.00 -0.41 0.00 0.00 54.97 55.88 2dno s GLU 152 Cb -0.15 -3.60 -0.01 0.00 -1.78 0.00 0.00 34.13 28.59 2dno s GLU 152 CO -0.11 -0.49 -0.04 0.87 -0.49 0.00 0.00 175.26 175.00 2dno h LYS 153 N 7.35 0.00 -6.88 1.61 1.57 -2.05 -3.47 116.57 114.71 2dno h LYS 153 Ca -0.24 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.07 2dno h LYS 153 Cb 1.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 2dno h LYS 153 CO 0.91 0.00 0.21 -2.00 -0.57 0.00 0.00 179.45 178.00 2dno s GLU 154 N -1.64 4.12 -0.24 3.15 2.12 -1.26 -5.02 118.70 119.93 2dno s GLU 154 Ca -0.04 0.88 -0.16 0.00 0.36 0.00 0.00 54.97 56.02 2dno s GLU 154 Cb 0.01 -2.33 -0.11 0.00 0.26 0.00 0.00 34.13 31.95 2dno s GLU 154 CO 0.06 0.08 -0.24 0.45 -0.54 0.00 0.00 175.26 175.06 2dno n SER 155 N -0.47 1.93 0.00 -1.70 2.88 -1.26 -5.07 113.62 109.93 2dno n SER 155 Ca 0.05 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 2dno n SER 155 Cb 0.53 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 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 1.35 0.24 0.10 0.46 0.00 -1.26 -5.05 105.19 101.03 2dno n GLY 156 Ca -0.39 -0.32 -0.06 0.00 0.00 0.00 0.00 46.02 45.25 2dno n GLY 156 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dno h PRO 157 N 0.00 0.04 -5.64 1.61 0.13 -2.04 -3.46 132.00 122.64 2dno h PRO 157 Ca 0.00 -0.04 -0.62 0.00 -0.87 0.00 0.00 66.00 64.47 2dno h PRO 157 Cb 0.00 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.05 2dno h PRO 157 CO 0.00 0.88 -0.48 -1.12 -0.23 0.00 0.00 178.00 177.05 2dno s SER 158 N -6.80 4.29 0.35 1.44 0.01 -1.26 -5.14 113.70 106.59 2dno s SER 158 Ca -0.00 -1.35 -0.03 0.00 1.31 0.00 0.00 55.95 55.88 2dno s SER 158 Cb 0.11 0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.37 2dno s SER 158 CO 0.80 -0.76 0.59 -0.44 0.41 0.00 0.00 173.24 173.85 2dno s SER 159 N -3.95 6.35 0.00 2.44 0.01 -1.26 -5.18 113.70 112.10 2dno s SER 159 Ca 0.27 0.64 0.00 0.00 1.31 0.00 0.00 55.95 58.16 2dno s SER 159 Cb 0.03 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.14 2dno s SER 159 CO 0.15 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.10