#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 1.55 -0.11 0.00 -1.94 -1.26 -0.84 119.30 116.70 1pcf s MET 63 Ca 0.00 -0.65 -0.01 0.00 -1.71 0.00 0.00 55.69 53.32 1pcf s MET 63 Cb 0.00 -1.47 0.03 0.00 2.01 0.00 0.00 34.83 35.40 1pcf s MET 63 CO 0.00 0.37 -0.06 -0.06 -0.01 0.00 0.00 175.02 175.26 1pcf s PHE 64 N -0.35 1.38 0.19 -0.03 0.08 0.24 -4.97 117.98 114.51 1pcf s PHE 64 Ca 0.05 -0.69 -0.30 0.00 0.12 0.00 0.00 56.93 56.11 1pcf s PHE 64 Cb -0.08 -1.17 -0.08 0.00 -0.57 0.00 0.00 43.02 41.12 1pcf s PHE 64 CO -0.00 -0.50 0.96 -1.14 -0.10 0.00 0.00 175.22 174.44 1pcf s GLN 65 N 1.74 4.78 0.00 0.44 0.74 -1.26 -0.43 119.66 125.66 1pcf s GLN 65 Ca 0.04 1.50 0.00 0.00 0.05 0.00 0.00 55.36 56.96 1pcf s GLN 65 Cb -0.13 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.67 1pcf s GLN 65 CO -0.08 0.37 0.70 0.44 -0.55 0.00 0.00 175.29 176.17 1pcf n ILE 66 N 2.00 0.48 0.00 -2.34 -5.35 -0.26 -4.92 119.36 108.97 1pcf n ILE 66 Ca -0.00 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 61.86 1pcf n ILE 66 Cb 0.48 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 39.22 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 -0.24 -0.68 3.72 3.28 0.00 -1.10 -4.97 105.19 105.21 1pcf n GLY 67 Ca 0.00 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 1pcf n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pcf s LYS 68 N -2.00 4.20 -1.66 1.61 1.02 -1.26 -2.07 119.74 119.58 1pcf s LYS 68 Ca 0.00 2.42 0.00 0.00 0.02 0.00 0.00 55.97 58.41 1pcf s LYS 68 Cb 0.00 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 1pcf s LYS 68 CO 0.00 -0.61 0.00 -1.33 -0.92 0.00 0.00 175.35 172.49 1pcf n MET 69 N 3.63 -1.10 -3.73 1.68 2.81 -1.26 -4.95 117.12 114.19 1pcf n MET 69 Ca 0.13 1.04 -0.20 0.00 -1.81 0.00 0.00 57.70 56.87 1pcf n MET 69 Cb 0.38 -5.22 -0.17 0.00 -0.71 0.00 0.00 33.22 27.49 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 -3.40 0.08 0.05 0.03 0.52 -0.88 0.14 118.95 115.49 1pcf s ARG 70 Ca 0.00 0.28 0.01 0.00 -0.52 0.00 0.00 55.73 55.50 1pcf s ARG 70 Cb 0.00 -0.55 -0.03 0.00 0.52 0.00 0.00 34.95 34.89 1pcf s ARG 70 CO 0.00 -0.28 -0.06 0.71 0.02 0.00 0.00 175.30 175.69 1pcf s TYR 71 N 1.88 0.58 -0.20 -0.53 1.51 -0.73 -1.11 117.35 118.75 1pcf s TYR 71 Ca 0.02 -0.65 -0.09 0.00 -1.01 0.00 0.00 57.07 55.34 1pcf s TYR 71 Cb -0.12 -0.36 -0.05 0.00 -0.11 0.00 0.00 41.96 41.32 1pcf s TYR 71 CO -0.03 -0.16 0.10 0.08 -1.11 0.00 0.00 175.55 174.43 1pcf s VAL 72 N -2.08 5.13 -0.11 0.71 1.01 0.42 -1.70 120.40 123.78 1pcf s VAL 72 Ca -0.06 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 1pcf s VAL 72 Cb -0.05 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 1pcf s VAL 72 CO -0.02 0.44 -0.03 -0.55 0.00 0.00 0.00 175.10 174.94 1pcf s SER 73 N 0.44 4.91 -0.22 3.32 0.15 0.62 -0.59 113.70 122.33 1pcf s SER 73 Ca 0.06 -0.01 -0.01 0.00 0.70 0.00 0.00 55.95 56.69 1pcf s SER 73 Cb -0.12 -1.54 0.02 0.00 -1.71 0.00 0.00 66.02 62.67 1pcf s SER 73 CO -0.00 0.28 -0.11 -0.69 1.20 0.00 0.00 173.24 173.91 1pcf s VAL 74 N -0.31 2.61 0.16 4.45 1.01 -0.02 -0.17 120.40 128.14 1pcf s VAL 74 Ca 0.05 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 1pcf s VAL 74 Cb -0.12 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1pcf s VAL 74 CO 0.02 0.35 0.20 0.00 0.00 0.00 0.00 175.10 175.67 1pcf s ARG 75 N 1.32 1.10 -0.32 2.72 1.70 -0.75 -1.59 118.95 123.13 1pcf s ARG 75 Ca 0.02 -1.32 -0.10 0.00 -0.47 0.00 0.00 55.73 53.86 1pcf s ARG 75 Cb -0.15 0.32 -0.01 0.00 -0.57 0.00 0.00 34.95 34.55 1pcf s ARG 75 CO -0.07 -0.37 0.16 0.34 -1.08 0.00 0.00 175.30 174.28 1pcf s ASP 76 N -3.02 5.61 -0.37 -2.89 -1.08 -1.26 -0.64 116.67 113.02 1pcf s ASP 76 Ca 0.22 -0.54 -0.05 0.00 -0.52 0.00 0.00 52.55 51.66 1pcf s ASP 76 Cb 0.05 -2.02 0.07 0.00 -1.46 0.00 0.00 42.92 39.57 1pcf s ASP 76 CO 0.02 -0.21 0.15 0.12 0.52 0.00 0.00 175.17 175.77 1pcf s PHE 77 N 1.62 3.38 -1.33 -5.34 5.36 0.12 -4.69 117.98 117.10 1pcf s PHE 77 Ca 0.05 -1.87 -0.05 0.00 -0.96 0.00 0.00 56.93 54.10 1pcf s PHE 77 Cb -0.17 -2.71 0.02 0.00 -0.34 0.00 0.00 43.02 39.82 1pcf s PHE 77 CO 0.07 -0.85 0.95 1.63 -1.46 0.00 0.00 175.22 175.55 1pcf n LYS 78 N 4.73 -6.22 0.00 10.12 4.01 -1.26 -1.54 118.16 127.99 1pcf n LYS 78 Ca -0.09 0.73 0.00 0.00 -0.51 0.00 0.00 58.31 58.44 1pcf n LYS 78 Cb 0.43 -5.60 0.00 0.00 -0.51 0.00 0.00 35.03 29.35 1pcf n LYS 78 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1pcf n GLY 79 N -1.57 2.22 3.46 0.72 0.00 -1.26 -5.01 105.19 103.75 1pcf n GLY 79 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.26 2.12 0.03 1.61 -0.14 -0.59 -5.09 119.74 117.42 1pcf s LYS 80 Ca 0.00 -0.95 -0.20 0.00 -1.36 0.00 0.00 55.97 53.46 1pcf s LYS 80 Cb 0.00 -2.21 -0.06 0.00 -1.68 0.00 0.00 37.83 33.89 1pcf s LYS 80 CO 0.00 0.55 0.59 0.08 -0.76 0.00 0.00 175.35 175.81 1pcf s VAL 81 N -0.90 4.83 -0.00 3.17 1.01 -1.26 0.12 120.40 127.37 1pcf s VAL 81 Ca 0.14 1.24 0.05 0.00 0.00 0.00 0.00 61.98 63.41 1pcf s VAL 81 Cb -0.10 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 1pcf s VAL 81 CO 0.05 0.47 -0.15 -0.76 0.00 0.00 0.00 175.10 174.71 1pcf s LEU 82 N -0.57 2.05 -0.39 3.92 1.43 0.19 -4.27 118.68 121.04 1pcf s LEU 82 Ca 0.30 -0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 1pcf s LEU 82 Cb -0.19 -0.74 0.08 0.00 0.03 0.00 0.00 46.19 45.38 1pcf s LEU 82 CO 0.18 0.16 0.18 -0.63 0.23 0.00 0.00 176.35 176.47 1pcf s ILE 83 N -0.42 3.64 -0.19 -0.59 1.09 0.41 -1.80 121.20 123.34 1pcf s ILE 83 Ca 0.05 -1.61 -0.06 0.00 -1.10 0.00 0.00 60.65 57.94 1pcf s ILE 83 Cb -0.06 -3.28 -0.03 0.00 -1.06 0.00 0.00 42.46 38.02 1pcf s ILE 83 CO -0.00 -0.48 0.03 -0.62 -0.10 0.00 0.00 174.94 173.77 1pcf s ASP 84 N 1.82 5.17 -0.23 3.58 2.15 0.76 -0.45 116.67 129.47 1pcf s ASP 84 Ca 0.03 -0.08 -0.05 0.00 0.43 0.00 0.00 52.55 52.88 1pcf s ASP 84 Cb -0.22 -1.88 -0.02 0.00 -0.30 0.00 0.00 42.92 40.50 1pcf s ASP 84 CO -0.01 0.12 -0.00 -0.63 -0.17 0.00 0.00 175.17 174.48 1pcf s ILE 85 N 0.71 3.74 0.09 4.11 1.01 -0.22 -0.28 121.20 130.36 1pcf s ILE 85 Ca 0.01 -0.37 -0.23 0.00 0.00 0.00 0.00 60.65 60.07 1pcf s ILE 85 Cb -0.14 -2.72 0.06 0.00 0.01 0.00 0.00 42.46 39.67 1pcf s ILE 85 CO 0.02 0.39 0.55 -0.60 0.00 0.00 0.00 174.94 175.31 1pcf s ARG 86 N 1.51 1.15 0.20 2.79 3.52 -0.69 -1.27 118.95 126.15 1pcf s ARG 86 Ca 0.06 -0.35 -0.18 0.00 -0.13 0.00 0.00 55.73 55.13 1pcf s ARG 86 Cb -0.15 0.52 -0.08 0.00 -1.56 0.00 0.00 34.95 33.69 1pcf s ARG 86 CO -0.01 -0.45 0.67 -1.21 -0.81 0.00 0.00 175.30 173.49 1pcf s GLU 87 N -3.05 4.16 0.11 5.12 2.02 -0.33 -1.78 118.70 124.94 1pcf s GLU 87 Ca -0.02 0.74 0.09 0.00 0.02 0.00 0.00 54.97 55.79 1pcf s GLU 87 Cb -0.00 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 1pcf s GLU 87 CO -0.07 0.42 -0.21 0.71 0.02 0.00 0.00 175.26 176.13 1pcf s TYR 88 N -1.51 1.85 0.28 1.61 1.51 0.12 -0.25 117.35 120.96 1pcf s TYR 88 Ca 0.41 -0.42 0.07 0.00 -1.01 0.00 0.00 57.07 56.12 1pcf s TYR 88 Cb -0.16 -1.00 -0.03 0.00 -0.11 0.00 0.00 41.96 40.66 1pcf s TYR 88 CO 0.20 0.24 0.26 -1.58 -1.11 0.00 0.00 175.55 173.56 1pcf s TRP 89 N -1.29 3.08 -0.18 2.71 0.52 0.19 -4.79 118.94 119.18 1pcf s TRP 89 Ca 0.09 -0.17 -0.06 0.00 0.02 0.00 0.00 56.10 55.98 1pcf s TRP 89 Cb -0.09 -1.58 -0.03 0.00 -1.15 0.00 0.00 33.47 30.61 1pcf s TRP 89 CO 0.05 0.37 0.03 1.41 0.02 0.00 0.00 176.95 178.83 1pcf s MET 90 N -3.92 3.82 0.92 4.98 -2.45 -1.26 0.01 119.30 121.39 1pcf s MET 90 Ca 0.36 -0.43 -0.13 0.00 -1.25 0.00 0.00 55.69 54.24 1pcf s MET 90 Cb -0.07 -3.12 0.19 0.00 1.25 0.00 0.00 34.83 33.08 1pcf s MET 90 CO 0.26 0.20 1.27 0.16 1.05 0.00 0.00 175.02 177.96 1pcf s ASP 91 N 0.54 3.28 0.23 1.11 1.47 0.57 -4.89 116.67 118.98 1pcf s ASP 91 Ca 0.01 0.11 0.20 0.00 1.18 0.00 0.00 52.55 54.05 1pcf s ASP 91 Cb -0.13 -0.19 0.93 0.00 -0.34 0.00 0.00 42.92 43.18 1pcf s ASP 91 CO 0.02 -2.61 1.61 -2.65 0.68 0.00 0.00 175.17 172.21 1pcf n PRO 92 N -3.61 0.14 -0.06 2.11 -0.02 -1.26 -0.89 135.00 131.40 1pcf n PRO 92 Ca 0.16 0.49 0.12 0.00 -2.02 0.00 0.00 63.50 62.25 1pcf n PRO 92 Cb 0.60 -1.83 0.19 0.00 -0.02 0.00 0.00 33.50 32.43 1pcf n PRO 92 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1pcf n GLU 93 N -2.11 2.29 -0.64 -0.52 4.71 -1.26 -4.94 120.64 118.17 1pcf n GLU 93 Ca 0.01 -1.91 0.00 0.00 -0.01 0.00 0.00 57.16 55.25 1pcf n GLU 93 Cb 0.13 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.09 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 1.37 0.65 3.81 0.62 0.00 -0.07 -5.05 105.19 106.52 1pcf n GLY 94 Ca 0.16 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.70 4.25 -0.01 1.61 2.02 -1.26 -4.76 118.70 119.86 1pcf s GLU 95 Ca 0.00 0.80 -0.27 0.00 0.02 0.00 0.00 54.97 55.52 1pcf s GLU 95 Cb 0.00 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.98 1pcf s GLU 95 CO 0.00 0.61 0.85 -1.64 0.02 0.00 0.00 175.26 175.10 1pcf s MET 96 N -1.20 4.52 -0.03 1.61 -1.94 -1.26 -0.31 119.30 120.68 1pcf s MET 96 Ca 0.31 1.19 0.05 0.00 -1.71 0.00 0.00 55.69 55.53 1pcf s MET 96 Cb -0.20 -3.44 -0.01 0.00 2.01 0.00 0.00 34.83 33.20 1pcf s MET 96 CO 0.20 0.05 -0.18 0.15 -0.01 0.00 0.00 175.02 175.23 1pcf s LYS 97 N 0.72 1.72 0.12 2.03 -0.14 0.10 -4.95 119.74 119.34 1pcf s LYS 97 Ca 0.45 -0.65 -0.31 0.00 -1.36 0.00 0.00 55.97 54.10 1pcf s LYS 97 Cb -0.20 -1.55 -0.08 0.00 -1.68 0.00 0.00 37.83 34.32 1pcf s LYS 97 CO 0.24 0.32 1.45 -1.25 -0.76 0.00 0.00 175.35 175.34 1pcf s PRO 98 N -0.17 4.29 0.72 -1.68 0.04 -1.26 0.56 135.00 137.49 1pcf s PRO 98 Ca 0.01 2.15 -0.06 0.00 0.04 0.00 0.00 61.00 63.14 1pcf s PRO 98 Cb -0.10 -3.27 0.15 0.00 0.04 0.00 0.00 34.50 31.32 1pcf s PRO 98 CO 0.01 -0.50 0.98 0.41 0.04 0.00 0.00 177.00 177.94 1pcf n GLY 99 N 3.59 -0.16 0.20 0.56 0.00 0.66 -4.79 105.19 105.25 1pcf n GLY 99 Ca 0.12 -1.90 0.08 0.00 0.00 0.00 0.00 46.02 44.32 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 -5.20 1.61 3.08 -1.96 -3.41 114.38 108.50 1pcf h ARG 100 Ca -0.32 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.06 1pcf h ARG 100 Cb 1.05 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.94 1pcf h ARG 100 CO 0.29 0.28 0.88 0.15 -1.07 0.00 0.00 179.97 180.50 1pcf s LYS 101 N -3.34 3.55 0.20 0.04 1.02 -1.26 -4.90 119.74 115.06 1pcf s LYS 101 Ca 0.03 -1.59 -0.23 0.00 0.02 0.00 0.00 55.97 54.20 1pcf s LYS 101 Cb 0.08 -4.90 0.06 0.00 -0.52 0.00 0.00 37.83 32.56 1pcf s LYS 101 CO 0.68 -1.83 0.95 0.20 -0.92 0.00 0.00 175.35 174.42 1pcf s GLY 102 N 3.80 -0.03 -0.05 -3.33 0.00 -1.26 -1.19 107.32 105.26 1pcf s GLY 102 Ca 0.33 -0.18 -0.06 0.00 0.00 0.00 0.00 44.72 44.82 1pcf s GLY 102 CO -0.08 0.73 0.15 -1.50 0.00 0.00 0.00 173.10 172.41 1pcf s ILE 103 N -2.84 0.02 -0.28 0.90 2.07 -0.40 -4.99 121.20 115.68 1pcf s ILE 103 Ca 0.16 -0.13 -0.09 0.00 -1.41 0.00 0.00 60.65 59.18 1pcf s ILE 103 Cb -0.03 -0.26 -0.03 0.00 0.13 0.00 0.00 42.46 42.27 1pcf s ILE 103 CO 0.05 -0.07 0.14 -0.44 -1.91 0.00 0.00 174.94 172.71 1pcf s SER 104 N -0.19 5.56 -0.10 4.50 0.01 -1.26 -1.06 113.70 121.17 1pcf s SER 104 Ca -0.03 -0.25 -0.04 0.00 1.31 0.00 0.00 55.95 56.94 1pcf s SER 104 Cb -0.02 -2.02 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 1pcf s SER 104 CO 0.00 -0.10 0.07 -0.76 0.41 0.00 0.00 173.24 172.87 1pcf s LEU 105 N 1.66 4.00 0.78 2.44 1.43 0.41 -4.90 118.68 124.49 1pcf s LEU 105 Ca 0.06 0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 53.37 1pcf s LEU 105 Cb -0.16 -1.98 0.09 0.00 0.03 0.00 0.00 46.19 44.17 1pcf s LEU 105 CO 0.07 0.39 1.11 0.54 0.23 0.00 0.00 176.35 178.69 1pcf s ASN 106 N -1.02 4.44 0.48 2.29 2.20 -1.26 -0.44 114.94 121.62 1pcf s ASN 106 Ca 0.15 0.50 0.15 0.00 -0.94 0.00 0.00 52.86 52.71 1pcf s ASN 106 Cb -0.12 -0.99 1.13 0.00 -2.00 0.00 0.00 41.25 39.27 1pcf s ASN 106 CO 0.04 -1.88 2.07 -0.65 -2.94 0.00 0.00 177.10 173.74 1pcf h PRO 107 N -0.90 0.22 0.01 3.55 0.11 -1.98 -1.07 132.00 131.94 1pcf h PRO 107 Ca -0.45 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.44 1pcf h PRO 107 Cb 1.31 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1pcf h PRO 107 CO 0.58 0.15 -0.93 1.49 -0.21 0.00 0.00 178.00 179.08 1pcf h GLU 108 N 0.23 0.30 -0.43 1.05 4.57 -1.96 -1.27 114.58 117.06 1pcf h GLU 108 Ca 0.13 -0.34 -0.13 0.00 -1.18 0.00 0.00 59.36 57.85 1pcf h GLU 108 Cb 0.24 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1pcf h GLU 108 CO -0.02 1.04 -0.22 1.96 -1.18 0.00 0.00 179.01 180.59 1pcf h GLN 109 N 0.16 0.91 -0.88 1.92 4.20 -1.80 -0.97 115.11 118.66 1pcf h GLN 109 Ca -0.07 -0.40 0.04 0.00 0.06 0.00 0.00 58.65 58.28 1pcf h GLN 109 Cb 1.56 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 29.27 1pcf h GLN 109 CO 0.15 1.06 0.58 2.35 -0.67 0.00 0.00 178.83 182.30 1pcf h TRP 110 N 0.74 1.05 -0.58 2.96 2.91 -1.18 -1.42 115.95 120.44 1pcf h TRP 110 Ca 0.09 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 60.08 1pcf h TRP 110 Cb 0.79 -0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 29.07 1pcf h TRP 110 CO 0.06 0.61 0.14 1.03 -1.03 0.00 0.00 178.44 179.24 1pcf h SER 111 N 1.09 0.88 -0.37 2.65 0.87 -0.83 -0.02 113.55 117.82 1pcf h SER 111 Ca 0.35 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1pcf h SER 111 Cb 0.04 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1pcf h SER 111 CO -0.11 0.88 0.10 1.56 -0.53 0.00 0.00 176.83 178.74 1pcf h GLN 112 N 0.83 0.66 -0.16 2.24 1.08 -0.48 0.08 115.11 119.36 1pcf h GLN 112 Ca 0.18 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.22 1pcf h GLN 112 Cb 0.35 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1pcf h GLN 112 CO 0.00 0.61 -0.06 1.25 -0.95 0.00 0.00 178.83 179.68 1pcf h LEU 113 N 0.64 0.33 -1.10 1.46 5.85 -0.65 -3.08 115.31 118.77 1pcf h LEU 113 Ca 0.15 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1pcf h LEU 113 Cb 0.26 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1pcf h LEU 113 CO -0.00 0.65 0.51 0.11 -0.34 0.00 0.00 178.44 179.37 1pcf h LYS 114 N 0.02 1.13 -0.04 1.25 1.57 -0.63 -1.79 116.57 118.08 1pcf h LYS 114 Ca 0.04 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1pcf h LYS 114 Cb 0.52 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1pcf h LYS 114 CO 0.02 0.78 0.05 0.93 -0.57 0.00 0.00 179.45 180.66 1pcf h GLU 115 N 1.15 0.00 -0.41 3.15 5.08 -0.96 -2.44 114.58 120.15 1pcf h GLU 115 Ca 0.30 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.51 1pcf h GLU 115 Cb -0.06 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.10 1pcf h GLU 115 CO -0.06 0.00 0.05 1.04 -1.00 0.00 0.00 179.01 179.04 1pcf n GLN 116 N -3.84 2.40 -0.27 2.33 6.02 -0.68 -4.63 117.38 118.71 1pcf n GLN 116 Ca -0.02 -3.05 -0.06 0.00 -0.01 0.00 0.00 57.00 53.86 1pcf n GLN 116 Cb 0.14 -1.89 0.05 0.00 1.02 0.00 0.00 30.24 29.56 1pcf n GLN 116 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1pcf h ILE 117 N 1.41 1.25 -0.80 5.09 2.04 -1.34 0.18 117.51 125.34 1pcf h ILE 117 Ca 0.19 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 1pcf h ILE 117 Cb 1.76 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 1pcf h ILE 117 CO 0.43 0.32 0.42 -1.28 0.00 0.00 0.00 178.15 178.04 1pcf h SER 118 N 1.05 1.01 -0.46 1.72 0.87 -1.84 0.91 113.55 116.81 1pcf h SER 118 Ca 0.25 -0.11 -0.14 0.00 -1.23 0.00 0.00 61.79 60.56 1pcf h SER 118 Cb 0.20 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1pcf h SER 118 CO -0.02 0.83 -0.25 0.44 -0.53 0.00 0.00 176.83 177.30 1pcf h ASP 119 N 1.11 1.01 -0.54 6.23 3.32 -1.72 -0.49 116.42 125.33 1pcf h ASP 119 Ca 0.28 -0.41 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1pcf h ASP 119 Cb 0.05 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1pcf h ASP 119 CO -0.04 1.20 0.25 0.40 -1.72 0.00 0.00 179.24 179.33 1pcf h ILE 120 N 0.82 1.20 -0.59 0.35 2.04 -0.64 -2.23 117.51 118.47 1pcf h ILE 120 Ca 0.10 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 1pcf h ILE 120 Cb 0.83 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1pcf h ILE 120 CO 0.07 0.23 0.21 0.44 0.00 0.00 0.00 178.15 179.10 1pcf h ASP 121 N 0.72 0.80 -0.50 1.72 3.32 -0.74 0.14 116.42 121.88 1pcf h ASP 121 Ca 0.18 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1pcf h ASP 121 Cb 0.14 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1pcf h ASP 121 CO -0.02 0.73 0.20 -0.78 -1.72 0.00 0.00 179.24 177.65 1pcf h ASP 122 N 0.85 0.70 -0.21 6.45 3.58 -0.76 -1.67 116.42 125.36 1pcf h ASP 122 Ca 0.20 -0.17 -0.07 0.00 0.42 0.00 0.00 57.03 57.41 1pcf h ASP 122 Cb 0.21 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 1pcf h ASP 122 CO -0.01 0.68 -0.08 0.00 -2.88 0.00 0.00 179.24 176.95 1pcf h ALA 123 N 1.04 1.24 -0.42 -0.78 0.00 -0.68 -1.25 119.26 118.41 1pcf h ALA 123 Ca 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1pcf h ALA 123 Cb 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1pcf h ALA 123 CO -0.01 0.50 0.22 0.28 0.00 0.00 0.00 179.25 180.24 1pcf h VAL 124 N 0.52 1.16 -0.36 0.00 2.07 -0.39 -0.60 116.25 118.65 1pcf h VAL 124 Ca 0.10 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 67.08 1pcf h VAL 124 Cb 0.45 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1pcf h VAL 124 CO 0.02 0.17 -0.25 -0.09 0.02 0.00 0.00 177.57 177.44 1pcf h ARG 125 N 0.54 0.72 0.00 1.57 2.43 -1.01 -3.31 114.38 115.32 1pcf h ARG 125 Ca 0.15 -0.30 -0.08 0.00 -0.81 0.00 0.00 59.98 58.94 1pcf h ARG 125 Cb 0.07 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1pcf h ARG 125 CO -0.02 0.90 -0.98 0.87 -1.51 0.00 0.00 179.97 179.22 1pcf h LYS 126 N 0.62 0.00 -0.02 0.20 1.57 -1.02 -3.52 116.57 114.41 1pcf h LYS 126 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1pcf h LYS 126 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1pcf h LYS 126 CO 0.06 0.19 0.00 1.28 -0.57 0.00 0.00 179.45 180.41