#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pcf s MET 63 N 0.00 1.26 -0.17 0.00 1.00 -1.26 -0.82 119.30 119.31 1pcf s MET 63 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 55.69 55.21 1pcf s MET 63 Cb 0.00 -1.16 0.05 0.00 0.00 0.00 0.00 34.83 33.72 1pcf s MET 63 CO 0.00 0.22 -0.02 -0.06 0.00 0.00 0.00 175.02 175.16 1pcf s PHE 64 N -0.05 1.43 0.20 -0.03 0.08 0.36 -4.98 117.98 114.98 1pcf s PHE 64 Ca 0.00 -0.96 -0.30 0.00 0.12 0.00 0.00 56.93 55.80 1pcf s PHE 64 Cb -0.08 -1.18 -0.08 0.00 -0.57 0.00 0.00 43.02 41.10 1pcf s PHE 64 CO 0.01 -0.59 1.05 -1.14 -0.10 0.00 0.00 175.22 174.44 1pcf s GLN 65 N 1.72 4.67 0.00 0.44 0.74 -1.26 -0.83 119.66 125.13 1pcf s GLN 65 Ca 0.00 1.65 0.00 0.00 0.05 0.00 0.00 55.36 57.06 1pcf s GLN 65 Cb -0.16 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.67 1pcf s GLN 65 CO -0.07 0.20 0.34 0.44 -0.55 0.00 0.00 175.29 175.65 1pcf n ILE 66 N 2.07 0.00 -4.03 -2.34 -5.35 -0.12 -4.92 119.36 104.68 1pcf n ILE 66 Ca 0.01 -0.47 0.03 0.00 -0.27 0.00 0.00 62.75 62.05 1pcf n ILE 66 Cb 0.47 1.04 0.01 0.00 -1.74 0.00 0.00 39.64 39.42 1pcf n ILE 66 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pcf n GLY 67 N 0.26 0.19 3.69 3.28 0.00 -1.12 -4.96 105.19 106.52 1pcf n GLY 67 Ca 0.00 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1pcf n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pcf s LYS 68 N -2.00 4.15 -1.13 1.61 2.20 -1.26 -1.98 119.74 121.32 1pcf s LYS 68 Ca 0.22 2.54 0.00 0.00 -0.36 0.00 0.00 55.97 58.37 1pcf s LYS 68 Cb -0.00 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1pcf s LYS 68 CO -0.02 -0.82 0.00 -1.33 -0.36 0.00 0.00 175.35 172.82 1pcf n MET 69 N 5.67 -1.24 -4.18 4.03 2.81 -1.26 -4.95 117.12 118.00 1pcf n MET 69 Ca 0.17 0.84 -0.24 0.00 -1.81 0.00 0.00 57.70 56.66 1pcf n MET 69 Cb 0.39 -5.00 -0.17 0.00 -0.71 0.00 0.00 33.22 27.73 1pcf n MET 69 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1pcf s ARG 70 N -2.74 1.26 0.03 0.03 0.52 -0.84 -0.60 118.95 116.60 1pcf s ARG 70 Ca 0.00 -0.21 0.01 0.00 -0.52 0.00 0.00 55.73 55.01 1pcf s ARG 70 Cb 0.00 -1.23 -0.02 0.00 0.52 0.00 0.00 34.95 34.23 1pcf s ARG 70 CO 0.00 -0.12 -0.06 0.71 0.02 0.00 0.00 175.30 175.85 1pcf s TYR 71 N 1.17 0.51 -0.16 -0.53 1.51 -0.85 -0.94 117.35 118.05 1pcf s TYR 71 Ca -0.06 -0.43 -0.16 0.00 -1.01 0.00 0.00 57.07 55.41 1pcf s TYR 71 Cb -0.14 -0.32 -0.04 0.00 -0.11 0.00 0.00 41.96 41.35 1pcf s TYR 71 CO -0.02 -0.10 0.41 0.08 -1.11 0.00 0.00 175.55 174.82 1pcf s VAL 72 N -1.17 5.22 -0.00 0.71 1.01 -0.01 -1.58 120.40 124.57 1pcf s VAL 72 Ca -0.09 0.77 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1pcf s VAL 72 Cb -0.08 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1pcf s VAL 72 CO -0.00 0.31 -0.06 -0.55 0.00 0.00 0.00 175.10 174.80 1pcf s SER 73 N 0.74 4.69 -0.10 3.32 0.15 0.41 -0.49 113.70 122.44 1pcf s SER 73 Ca 0.21 -0.12 0.03 0.00 0.70 0.00 0.00 55.95 56.78 1pcf s SER 73 Cb -0.14 -1.12 0.01 0.00 -1.71 0.00 0.00 66.02 63.05 1pcf s SER 73 CO 0.08 0.29 -0.20 -0.69 1.20 0.00 0.00 173.24 173.91 1pcf s VAL 74 N -0.99 1.80 0.18 4.45 1.01 -0.00 -0.20 120.40 126.65 1pcf s VAL 74 Ca 0.17 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 1pcf s VAL 74 Cb -0.11 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.69 1pcf s VAL 74 CO 0.07 0.50 0.38 0.00 0.00 0.00 0.00 175.10 176.06 1pcf s ARG 75 N 0.53 1.24 -0.21 2.72 1.70 -0.93 -1.00 118.95 123.00 1pcf s ARG 75 Ca -0.15 -1.04 -0.13 0.00 -0.47 0.00 0.00 55.73 53.94 1pcf s ARG 75 Cb -0.17 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.60 1pcf s ARG 75 CO 0.06 -0.49 0.28 0.34 -1.08 0.00 0.00 175.30 174.40 1pcf s ASP 76 N -2.92 6.30 -0.26 -2.89 -1.08 -1.26 -1.08 116.67 113.47 1pcf s ASP 76 Ca 0.13 0.34 -0.01 0.00 -0.52 0.00 0.00 52.55 52.49 1pcf s ASP 76 Cb 0.02 -2.17 0.08 0.00 -1.46 0.00 0.00 42.92 39.39 1pcf s ASP 76 CO -0.01 0.02 0.05 0.12 0.52 0.00 0.00 175.17 175.86 1pcf s PHE 77 N 1.04 1.65 -1.42 -5.34 5.36 0.19 -4.80 117.98 114.67 1pcf s PHE 77 Ca 0.14 -1.48 -0.09 0.00 -0.96 0.00 0.00 56.93 54.53 1pcf s PHE 77 Cb -0.14 -1.49 0.02 0.00 -0.34 0.00 0.00 43.02 41.07 1pcf s PHE 77 CO 0.05 -0.77 1.07 1.63 -1.46 0.00 0.00 175.22 175.74 1pcf n LYS 78 N 4.87 -7.10 -0.99 10.12 5.02 -1.26 -0.70 118.16 128.13 1pcf n LYS 78 Ca -0.06 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 1pcf n LYS 78 Cb 0.44 -5.80 0.00 0.00 -0.02 0.00 0.00 35.03 29.65 1pcf n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pcf n GLY 79 N -1.88 0.53 3.37 0.72 0.00 -1.26 -5.02 105.19 101.65 1pcf n GLY 79 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1pcf n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pcf s LYS 80 N -0.23 2.50 0.07 1.61 1.02 0.12 -5.10 119.74 119.73 1pcf s LYS 80 Ca 0.00 -0.80 -0.17 0.00 0.02 0.00 0.00 55.97 55.01 1pcf s LYS 80 Cb 0.00 -2.26 -0.06 0.00 -0.52 0.00 0.00 37.83 34.98 1pcf s LYS 80 CO 0.00 0.51 0.53 0.08 -0.92 0.00 0.00 175.35 175.55 1pcf s VAL 81 N -0.46 4.82 0.01 3.17 1.01 -1.26 0.54 120.40 128.23 1pcf s VAL 81 Ca 0.05 1.07 0.05 0.00 0.00 0.00 0.00 61.98 63.15 1pcf s VAL 81 Cb -0.12 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 1pcf s VAL 81 CO 0.01 0.51 -0.14 -0.76 0.00 0.00 0.00 175.10 174.73 1pcf s LEU 82 N -1.24 2.08 -0.31 3.92 1.43 -0.24 -4.24 118.68 120.09 1pcf s LEU 82 Ca 0.29 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1pcf s LEU 82 Cb -0.18 -0.67 0.04 0.00 0.03 0.00 0.00 46.19 45.41 1pcf s LEU 82 CO 0.18 0.12 0.03 -0.63 0.23 0.00 0.00 176.35 176.27 1pcf s ILE 83 N -0.53 3.22 -0.16 -0.59 1.09 0.11 -2.20 121.20 122.15 1pcf s ILE 83 Ca 0.04 -1.27 -0.01 0.00 -1.10 0.00 0.00 60.65 58.30 1pcf s ILE 83 Cb -0.06 -2.82 -0.01 0.00 -1.06 0.00 0.00 42.46 38.50 1pcf s ILE 83 CO 0.00 -0.10 -0.11 -0.62 -0.10 0.00 0.00 174.94 174.02 1pcf s ASP 84 N 1.31 4.08 -0.28 3.58 -1.08 0.72 -0.09 116.67 124.91 1pcf s ASP 84 Ca -0.04 -0.35 -0.05 0.00 -0.52 0.00 0.00 52.55 51.59 1pcf s ASP 84 Cb -0.19 -1.65 0.01 0.00 -1.46 0.00 0.00 42.92 39.63 1pcf s ASP 84 CO -0.00 0.11 0.03 -0.63 0.52 0.00 0.00 175.17 175.19 1pcf s ILE 85 N 0.71 3.59 0.01 4.11 1.01 0.05 -0.44 121.20 130.25 1pcf s ILE 85 Ca -0.05 -0.79 -0.23 0.00 0.00 0.00 0.00 60.65 59.58 1pcf s ILE 85 Cb -0.15 -2.84 0.05 0.00 0.01 0.00 0.00 42.46 39.53 1pcf s ILE 85 CO 0.02 0.13 0.52 -0.60 0.00 0.00 0.00 174.94 175.01 1pcf s ARG 86 N 1.44 0.98 0.23 2.79 3.52 -0.61 -1.16 118.95 126.14 1pcf s ARG 86 Ca 0.02 -0.11 -0.21 0.00 -0.13 0.00 0.00 55.73 55.30 1pcf s ARG 86 Cb -0.17 0.45 -0.08 0.00 -1.56 0.00 0.00 34.95 33.58 1pcf s ARG 86 CO 0.00 -0.33 0.76 -1.21 -0.81 0.00 0.00 175.30 173.71 1pcf s GLU 87 N -1.95 4.31 0.13 5.12 2.02 -0.20 -2.01 118.70 126.11 1pcf s GLU 87 Ca -0.08 0.94 0.10 0.00 0.02 0.00 0.00 54.97 55.95 1pcf s GLU 87 Cb -0.01 -2.88 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 1pcf s GLU 87 CO 0.02 0.38 -0.24 0.71 0.02 0.00 0.00 175.26 176.16 1pcf s TYR 88 N -1.52 2.09 0.35 1.61 1.51 0.23 -0.02 117.35 121.60 1pcf s TYR 88 Ca 0.44 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 56.17 1pcf s TYR 88 Cb -0.17 -1.11 -0.01 0.00 -0.11 0.00 0.00 41.96 40.56 1pcf s TYR 88 CO 0.21 0.32 0.44 -1.58 -1.11 0.00 0.00 175.55 173.84 1pcf s TRP 89 N -1.28 3.00 -0.19 2.71 0.52 0.28 -4.81 118.94 119.18 1pcf s TRP 89 Ca 0.13 -0.28 -0.06 0.00 0.02 0.00 0.00 56.10 55.91 1pcf s TRP 89 Cb -0.09 -2.02 -0.03 0.00 -1.15 0.00 0.00 33.47 30.18 1pcf s TRP 89 CO 0.06 -0.03 0.02 1.41 0.02 0.00 0.00 176.95 178.43 1pcf s MET 90 N -4.16 3.77 0.90 4.98 -2.45 -1.26 -0.68 119.30 120.40 1pcf s MET 90 Ca 0.46 -0.45 -0.15 0.00 -1.25 0.00 0.00 55.69 54.29 1pcf s MET 90 Cb -0.08 -3.11 0.21 0.00 1.25 0.00 0.00 34.83 33.09 1pcf s MET 90 CO 0.30 0.15 1.22 -0.40 1.05 0.00 0.00 175.02 177.34 1pcf n ASP 91 N 3.87 0.10 0.14 1.11 5.68 0.08 -4.90 116.55 122.64 1pcf n ASP 91 Ca -0.17 -1.45 0.12 0.00 -0.50 0.00 0.00 54.79 52.80 1pcf n ASP 91 Cb 0.52 -0.94 0.51 0.00 -1.14 0.00 0.00 41.12 40.08 1pcf n ASP 91 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 1pcf h PRO 92 N 0.00 0.00 -0.26 0.11 0.11 -1.99 -0.09 132.00 129.88 1pcf h PRO 92 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1pcf h PRO 92 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1pcf h PRO 92 CO 0.28 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.46 1pcf n GLU 93 N -2.31 2.21 -0.57 1.05 4.71 -1.26 -4.93 120.64 119.54 1pcf n GLU 93 Ca 0.02 -1.81 0.00 0.00 -0.01 0.00 0.00 57.16 55.35 1pcf n GLU 93 Cb 0.23 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.19 1pcf n GLU 93 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pcf n GLY 94 N 1.36 0.72 3.85 0.62 0.00 -0.05 -5.05 105.19 106.64 1pcf n GLY 94 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1pcf n GLY 94 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pcf s GLU 95 N -0.43 3.94 0.03 1.61 2.02 -1.26 -4.78 118.70 119.83 1pcf s GLU 95 Ca 0.00 0.43 -0.28 0.00 0.02 0.00 0.00 54.97 55.15 1pcf s GLU 95 Cb 0.00 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.20 1pcf s GLU 95 CO 0.00 0.52 0.87 -1.64 0.02 0.00 0.00 175.26 175.03 1pcf s MET 96 N -1.82 4.56 -0.02 1.61 -1.94 -1.26 -0.74 119.30 119.68 1pcf s MET 96 Ca 0.35 1.24 0.05 0.00 -1.71 0.00 0.00 55.69 55.61 1pcf s MET 96 Cb -0.15 -3.41 -0.01 0.00 2.01 0.00 0.00 34.83 33.27 1pcf s MET 96 CO 0.18 0.12 -0.15 0.15 -0.01 0.00 0.00 175.02 175.31 1pcf s LYS 97 N 0.45 1.31 0.20 2.03 -0.14 0.14 -4.95 119.74 118.78 1pcf s LYS 97 Ca 0.45 -0.54 -0.31 0.00 -1.36 0.00 0.00 55.97 54.21 1pcf s LYS 97 Cb -0.21 -1.24 -0.10 0.00 -1.68 0.00 0.00 37.83 34.60 1pcf s LYS 97 CO 0.25 0.30 1.50 -1.25 -0.76 0.00 0.00 175.35 175.40 1pcf s PRO 98 N -0.26 4.24 0.76 -1.68 0.04 -1.26 -0.55 135.00 136.29 1pcf s PRO 98 Ca 0.04 2.32 -0.05 0.00 0.04 0.00 0.00 61.00 63.35 1pcf s PRO 98 Cb -0.07 -3.14 0.16 0.00 0.04 0.00 0.00 34.50 31.49 1pcf s PRO 98 CO -0.00 -0.52 1.04 0.41 0.04 0.00 0.00 177.00 177.97 1pcf n GLY 99 N 3.05 -0.03 0.14 0.56 0.00 0.98 -4.82 105.19 105.08 1pcf n GLY 99 Ca 0.11 -1.93 0.02 0.00 0.00 0.00 0.00 46.02 44.23 1pcf n GLY 99 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1pcf h ARG 100 N 0.00 0.00 -5.34 1.61 3.08 -1.96 -3.41 114.38 108.35 1pcf h ARG 100 Ca -0.34 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.03 1pcf h ARG 100 Cb 1.14 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.05 1pcf h ARG 100 CO 0.32 0.51 1.23 0.15 -1.07 0.00 0.00 179.97 181.11 1pcf s LYS 101 N -3.07 3.72 0.21 0.04 1.02 -1.26 -4.90 119.74 115.49 1pcf s LYS 101 Ca 0.03 -1.76 -0.23 0.00 0.02 0.00 0.00 55.97 54.03 1pcf s LYS 101 Cb 0.08 -5.12 0.05 0.00 -0.52 0.00 0.00 37.83 32.32 1pcf s LYS 101 CO 0.74 -1.93 0.87 0.20 -0.92 0.00 0.00 175.35 174.30 1pcf s GLY 102 N 3.91 -0.14 -0.01 -3.33 0.00 -1.26 -1.04 107.32 105.44 1pcf s GLY 102 Ca 0.40 -0.09 0.01 0.00 0.00 0.00 0.00 44.72 45.04 1pcf s GLY 102 CO -0.06 0.04 -0.05 -1.50 0.00 0.00 0.00 173.10 171.53 1pcf s ILE 103 N -3.44 0.40 -0.29 0.90 2.07 -0.31 -4.98 121.20 115.56 1pcf s ILE 103 Ca 0.12 -0.18 -0.08 0.00 -1.41 0.00 0.00 60.65 59.10 1pcf s ILE 103 Cb -0.03 -0.36 -0.01 0.00 0.13 0.00 0.00 42.46 42.19 1pcf s ILE 103 CO 0.05 0.13 0.11 -0.44 -1.91 0.00 0.00 174.94 172.87 1pcf s SER 104 N 0.10 5.33 -0.01 4.50 0.01 -1.26 -0.77 113.70 121.59 1pcf s SER 104 Ca -0.01 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.82 1pcf s SER 104 Cb -0.04 -1.95 -0.04 0.00 0.21 0.00 0.00 66.02 64.20 1pcf s SER 104 CO -0.00 -0.14 0.00 -0.76 0.41 0.00 0.00 173.24 172.75 1pcf s LEU 105 N 1.59 3.53 0.69 2.44 1.43 0.87 -4.93 118.68 124.30 1pcf s LEU 105 Ca 0.05 0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.09 1pcf s LEU 105 Cb -0.16 -2.01 0.05 0.00 0.03 0.00 0.00 46.19 44.10 1pcf s LEU 105 CO 0.05 0.29 1.00 0.54 0.23 0.00 0.00 176.35 178.46 1pcf s ASN 106 N -1.51 4.95 0.30 2.29 2.20 -1.26 0.09 114.94 122.01 1pcf s ASN 106 Ca 0.19 0.52 0.03 0.00 -0.94 0.00 0.00 52.86 52.66 1pcf s ASN 106 Cb -0.11 -1.22 0.62 0.00 -2.00 0.00 0.00 41.25 38.53 1pcf s ASN 106 CO 0.10 -1.51 1.86 -0.65 -2.94 0.00 0.00 177.10 173.95 1pcf h PRO 107 N -0.54 0.90 -0.75 3.55 0.11 -1.98 -0.52 132.00 132.78 1pcf h PRO 107 Ca -0.45 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1pcf h PRO 107 Cb 1.31 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1pcf h PRO 107 CO 0.61 0.60 0.27 1.49 -0.21 0.00 0.00 178.00 180.75 1pcf h GLU 108 N 0.93 1.13 -0.06 1.05 4.81 -1.96 0.04 114.58 120.51 1pcf h GLU 108 Ca 0.47 -0.22 -0.18 0.00 -0.13 0.00 0.00 59.36 59.30 1pcf h GLU 108 Cb 0.50 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1pcf h GLU 108 CO -0.23 0.94 -0.73 1.96 -0.73 0.00 0.00 179.01 180.22 1pcf h GLN 109 N 1.10 0.34 -0.78 1.92 4.20 -1.62 -0.98 115.11 119.30 1pcf h GLN 109 Ca 0.25 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1pcf h GLN 109 Cb 0.26 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 1pcf h GLN 109 CO -0.01 0.93 0.36 2.35 -0.67 0.00 0.00 178.83 181.78 1pcf h TRP 110 N 0.23 1.14 -0.81 2.96 2.91 -1.06 0.90 115.95 122.22 1pcf h TRP 110 Ca -0.03 -0.06 -0.04 0.00 1.13 0.00 0.00 58.89 59.89 1pcf h TRP 110 Cb 1.29 -0.35 -0.04 0.00 -0.51 0.00 0.00 29.16 29.56 1pcf h TRP 110 CO 0.04 0.84 0.36 1.03 -1.03 0.00 0.00 178.44 179.68 1pcf h SER 111 N 1.11 1.09 -0.26 2.65 0.87 -0.66 -1.08 113.55 117.26 1pcf h SER 111 Ca 0.26 -0.15 -0.15 0.00 -1.23 0.00 0.00 61.79 60.53 1pcf h SER 111 Cb 0.15 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1pcf h SER 111 CO -0.03 0.94 -0.38 1.56 -0.53 0.00 0.00 176.83 178.39 1pcf h GLN 112 N 1.17 0.81 -0.59 2.24 4.20 -0.75 -0.88 115.11 121.30 1pcf h GLN 112 Ca 0.28 -0.41 0.05 0.00 0.06 0.00 0.00 58.65 58.62 1pcf h GLN 112 Cb 0.16 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 1pcf h GLN 112 CO -0.03 1.04 0.32 1.25 -0.67 0.00 0.00 178.83 180.75 1pcf h LEU 113 N 0.66 0.49 -1.08 1.46 5.85 -0.42 -2.01 115.31 120.26 1pcf h LEU 113 Ca 0.06 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 1pcf h LEU 113 Cb 0.93 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1pcf h LEU 113 CO 0.09 0.33 -0.23 0.11 -0.34 0.00 0.00 178.44 178.40 1pcf h LYS 114 N 0.62 0.38 -0.21 1.25 1.57 -0.87 -1.12 116.57 118.19 1pcf h LYS 114 Ca 0.26 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1pcf h LYS 114 Cb 0.13 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1pcf h LYS 114 CO -0.15 0.59 -0.05 0.93 -0.57 0.00 0.00 179.45 180.19 1pcf h GLU 115 N 0.34 0.32 -0.00 3.15 5.08 -0.77 -1.66 114.58 121.05 1pcf h GLU 115 Ca 0.06 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1pcf h GLU 115 Cb 0.59 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1pcf h GLU 115 CO 0.04 0.39 -0.06 1.04 -1.00 0.00 0.00 179.01 179.42 1pcf n GLN 116 N -4.31 0.95 -0.20 2.33 1.13 -0.45 -4.47 117.38 112.36 1pcf n GLN 116 Ca 0.00 -0.32 -0.04 0.00 -1.94 0.00 0.00 57.00 54.70 1pcf n GLN 116 Cb 0.23 -1.49 0.06 0.00 0.11 0.00 0.00 30.24 29.15 1pcf n GLN 116 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1pcf h ILE 117 N 0.77 1.01 -0.62 5.09 2.04 -0.98 -0.63 117.51 124.20 1pcf h ILE 117 Ca 0.00 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1pcf h ILE 117 Cb 0.30 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1pcf h ILE 117 CO 0.00 0.12 0.40 -1.28 0.00 0.00 0.00 178.15 177.39 1pcf h SER 118 N 0.63 0.69 -0.24 1.72 0.87 -1.80 -0.58 113.55 114.84 1pcf h SER 118 Ca 0.25 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.66 1pcf h SER 118 Cb 0.09 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1pcf h SER 118 CO -0.14 0.49 -0.33 0.44 -0.53 0.00 0.00 176.83 176.77 1pcf h ASP 119 N 0.81 0.79 -0.81 6.23 3.32 -1.75 -1.53 116.42 123.49 1pcf h ASP 119 Ca 0.23 -0.33 0.01 0.00 0.02 0.00 0.00 57.03 56.96 1pcf h ASP 119 Cb -0.07 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.22 1pcf h ASP 119 CO -0.06 1.06 0.53 0.40 -1.72 0.00 0.00 179.24 179.45 1pcf h ILE 120 N 0.64 1.21 -0.60 0.35 2.04 -0.73 -2.69 117.51 117.73 1pcf h ILE 120 Ca 0.07 -0.38 -0.09 0.00 1.00 0.00 0.00 64.86 65.46 1pcf h ILE 120 Cb 0.87 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1pcf h ILE 120 CO 0.08 0.20 0.03 0.44 0.00 0.00 0.00 178.15 178.89 1pcf h ASP 121 N 1.09 0.99 -0.68 1.72 3.32 -0.93 0.65 116.42 122.58 1pcf h ASP 121 Ca 0.30 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1pcf h ASP 121 Cb -0.13 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.13 1pcf h ASP 121 CO -0.06 1.03 0.34 0.44 -1.72 0.00 0.00 179.24 179.26 1pcf h ASP 122 N 0.94 0.90 -0.31 6.45 3.32 -1.12 -0.88 116.42 125.73 1pcf h ASP 122 Ca 0.17 -0.10 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 1pcf h ASP 122 Cb 0.51 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 1pcf h ASP 122 CO 0.02 0.76 -0.40 0.00 -1.72 0.00 0.00 179.24 177.90 1pcf h ALA 123 N 1.38 0.46 -0.86 3.45 0.00 -0.99 -0.92 119.26 121.78 1pcf h ALA 123 Ca 0.24 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1pcf h ALA 123 Cb 0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1pcf h ALA 123 CO -0.03 0.57 0.57 0.28 0.00 0.00 0.00 179.25 180.64 1pcf h VAL 124 N 0.59 1.20 -0.22 0.00 2.07 -0.63 -1.80 116.25 117.46 1pcf h VAL 124 Ca 0.04 -0.39 -0.13 0.00 0.82 0.00 0.00 66.70 67.03 1pcf h VAL 124 Cb 1.00 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1pcf h VAL 124 CO 0.10 0.21 -0.41 0.03 0.02 0.00 0.00 177.57 177.51 1pcf h ARG 125 N 1.15 0.53 -0.15 1.57 3.08 -0.99 -3.15 114.38 116.41 1pcf h ARG 125 Ca 0.32 -0.27 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 1pcf h ARG 125 Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1pcf h ARG 125 CO -0.08 0.85 -0.39 -0.22 -1.07 0.00 0.00 179.97 179.06 1pcf h LYS 126 N 0.44 0.33 -0.02 0.04 3.64 -0.81 -3.51 116.57 116.66 1pcf h LYS 126 Ca 0.04 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1pcf h LYS 126 Cb 0.90 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1pcf h LYS 126 CO 0.08 0.67 0.00 1.28 -2.27 0.00 0.00 179.45 179.21