#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 2.19 -0.13 0.00 1.00 -1.26 -0.40 119.30 120.70 1pcf s MET 63 Ca 0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 55.69 54.83 1pcf s MET 63 Cb 0.00 -1.98 0.03 0.00 0.00 0.00 0.00 34.83 32.88 1pcf s MET 63 CO 0.00 0.44 -0.08 -0.06 0.00 0.00 0.00 175.02 175.32 1pcf s PHE 64 N -0.34 1.64 0.22 -0.03 0.08 0.38 -4.98 117.98 114.94 1pcf s PHE 64 Ca 0.03 -0.90 -0.30 0.00 0.12 0.00 0.00 56.93 55.88 1pcf s PHE 64 Cb -0.11 -1.30 -0.08 0.00 -0.57 0.00 0.00 43.02 40.95 1pcf s PHE 64 CO 0.01 -0.56 0.97 -1.14 -0.10 0.00 0.00 175.22 174.41 1pcf s GLN 65 N 1.66 4.78 0.00 0.44 0.74 -1.26 -0.55 119.66 125.47 1pcf s GLN 65 Ca 0.04 1.54 0.00 0.00 0.05 0.00 0.00 55.36 56.99 1pcf s GLN 65 Cb -0.13 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.69 1pcf s GLN 65 CO -0.08 0.39 0.54 0.44 -0.55 0.00 0.00 175.29 176.03 1pcf n ILE 66 N 1.75 0.22 -1.72 -2.34 -5.35 -0.08 -4.92 119.36 106.92 1pcf n ILE 66 Ca -0.01 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 1pcf n ILE 66 Cb 0.47 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 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 -0.11 -1.52 3.68 3.28 0.00 -1.11 -4.96 105.19 104.45 1pcf n GLY 67 Ca 0.00 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.34 4.17 -1.56 1.61 1.02 -1.26 -2.18 119.74 120.20 1pcf s LYS 68 Ca 0.00 2.43 0.00 0.00 0.02 0.00 0.00 55.97 58.42 1pcf s LYS 68 Cb 0.00 -3.70 0.00 0.00 -0.52 0.00 0.00 37.83 33.61 1pcf s LYS 68 CO 0.00 -0.80 0.00 -1.33 -0.92 0.00 0.00 175.35 172.30 1pcf n MET 69 N 5.99 -1.15 -3.70 1.68 2.81 -1.26 -4.95 117.12 116.53 1pcf n MET 69 Ca 0.17 0.95 -0.19 0.00 -1.81 0.00 0.00 57.70 56.82 1pcf n MET 69 Cb 0.40 -5.19 -0.18 0.00 -0.71 0.00 0.00 33.22 27.54 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 -3.84 -0.02 0.01 0.03 0.52 -0.93 -1.07 118.95 113.65 1pcf s ARG 70 Ca 0.00 0.32 0.01 0.00 -0.52 0.00 0.00 55.73 55.54 1pcf s ARG 70 Cb 0.00 -0.49 -0.01 0.00 0.52 0.00 0.00 34.95 34.97 1pcf s ARG 70 CO 0.00 -0.29 -0.03 0.71 0.02 0.00 0.00 175.30 175.70 1pcf s TYR 71 N 1.94 0.27 -0.10 -0.53 1.51 -0.87 -0.90 117.35 118.67 1pcf s TYR 71 Ca 0.02 -0.20 -0.15 0.00 -1.01 0.00 0.00 57.07 55.73 1pcf s TYR 71 Cb -0.12 -0.18 -0.05 0.00 -0.11 0.00 0.00 41.96 41.50 1pcf s TYR 71 CO -0.03 -0.05 0.38 0.08 -1.11 0.00 0.00 175.55 174.81 1pcf s VAL 72 N -0.52 5.19 -0.11 0.71 1.01 0.29 -1.98 120.40 124.99 1pcf s VAL 72 Ca -0.04 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.70 1pcf s VAL 72 Cb -0.04 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1pcf s VAL 72 CO -0.00 0.44 -0.18 -0.55 0.00 0.00 0.00 175.10 174.81 1pcf s SER 73 N -0.03 3.64 -0.22 3.32 0.15 0.63 -0.47 113.70 120.71 1pcf s SER 73 Ca 0.21 -0.41 -0.02 0.00 0.70 0.00 0.00 55.95 56.44 1pcf s SER 73 Cb -0.15 -1.44 0.01 0.00 -1.71 0.00 0.00 66.02 62.73 1pcf s SER 73 CO 0.09 0.18 -0.08 -0.69 1.20 0.00 0.00 173.24 173.93 1pcf s VAL 74 N 0.24 2.91 0.12 4.45 1.01 0.47 -0.50 120.40 129.09 1pcf s VAL 74 Ca -0.12 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1pcf s VAL 74 Cb -0.16 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1pcf s VAL 74 CO 0.06 0.38 0.19 0.00 0.00 0.00 0.00 175.10 175.73 1pcf s ARG 75 N 1.39 0.94 -0.60 2.72 1.70 -0.84 -0.60 118.95 123.67 1pcf s ARG 75 Ca 0.04 -1.10 -0.19 0.00 -0.47 0.00 0.00 55.73 54.00 1pcf s ARG 75 Cb -0.15 0.33 0.10 0.00 -0.57 0.00 0.00 34.95 34.67 1pcf s ARG 75 CO -0.06 -0.31 0.74 0.34 -1.08 0.00 0.00 175.30 174.93 1pcf s ASP 76 N -2.92 6.18 -0.56 -2.89 -1.08 -1.26 -1.08 116.67 113.06 1pcf s ASP 76 Ca 0.11 -1.38 -0.18 0.00 -0.52 0.00 0.00 52.55 50.59 1pcf s ASP 76 Cb 0.05 -2.32 0.10 0.00 -1.46 0.00 0.00 42.92 39.29 1pcf s ASP 76 CO -0.06 -1.16 0.60 0.12 0.52 0.00 0.00 175.17 175.19 1pcf s PHE 77 N 2.87 3.10 -1.46 -5.34 5.36 0.50 -4.48 117.98 118.54 1pcf s PHE 77 Ca 0.13 -1.01 -0.10 0.00 -0.96 0.00 0.00 56.93 54.99 1pcf s PHE 77 Cb -0.23 -3.82 0.04 0.00 -0.34 0.00 0.00 43.02 38.67 1pcf s PHE 77 CO 0.07 -1.13 0.94 1.63 -1.46 0.00 0.00 175.22 175.26 1pcf n LYS 78 N 5.87 -6.08 -0.05 10.12 5.02 -1.26 -1.96 118.16 129.81 1pcf n LYS 78 Ca -0.11 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1pcf n LYS 78 Cb 0.42 -5.66 0.00 0.00 -0.02 0.00 0.00 35.03 29.77 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 -1.73 0.72 3.29 0.72 0.00 -1.26 -5.05 105.19 101.89 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 -0.75 2.78 0.15 1.61 -0.14 -0.83 -5.09 119.74 117.47 1pcf s LYS 80 Ca 0.00 -0.85 -0.30 0.00 -1.36 0.00 0.00 55.97 53.46 1pcf s LYS 80 Cb 0.00 -2.28 -0.07 0.00 -1.68 0.00 0.00 37.83 33.80 1pcf s LYS 80 CO 0.00 0.33 1.01 0.08 -0.76 0.00 0.00 175.35 176.01 1pcf s VAL 81 N -0.03 4.25 -0.03 3.17 1.01 -1.26 -0.37 120.40 127.14 1pcf s VAL 81 Ca -0.07 1.92 0.03 0.00 0.00 0.00 0.00 61.98 63.87 1pcf s VAL 81 Cb -0.15 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 32.00 1pcf s VAL 81 CO 0.05 0.32 -0.12 -0.76 0.00 0.00 0.00 175.10 174.60 1pcf s LEU 82 N -0.24 1.87 -0.42 3.92 1.43 -0.24 -4.32 118.68 120.68 1pcf s LEU 82 Ca 0.47 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.25 1pcf s LEU 82 Cb -0.26 -0.66 0.08 0.00 0.03 0.00 0.00 46.19 45.38 1pcf s LEU 82 CO 0.32 0.11 0.26 -0.63 0.23 0.00 0.00 176.35 176.63 1pcf s ILE 83 N 0.04 4.19 -0.23 -0.59 1.09 0.49 -1.98 121.20 124.22 1pcf s ILE 83 Ca -0.01 -1.42 -0.06 0.00 -1.10 0.00 0.00 60.65 58.06 1pcf s ILE 83 Cb -0.08 -3.57 -0.02 0.00 -1.06 0.00 0.00 42.46 37.72 1pcf s ILE 83 CO 0.01 -0.51 0.02 -0.62 -0.10 0.00 0.00 174.94 173.73 1pcf s ASP 84 N 2.11 4.80 -0.23 3.58 -1.08 0.35 -0.86 116.67 125.34 1pcf s ASP 84 Ca 0.03 -0.26 -0.05 0.00 -0.52 0.00 0.00 52.55 51.75 1pcf s ASP 84 Cb -0.23 -1.84 -0.02 0.00 -1.46 0.00 0.00 42.92 39.37 1pcf s ASP 84 CO 0.02 -0.00 0.00 -0.63 0.52 0.00 0.00 175.17 175.08 1pcf s ILE 85 N 1.39 3.76 0.11 4.11 1.01 -0.24 -0.27 121.20 131.07 1pcf s ILE 85 Ca 0.05 -0.36 -0.22 0.00 0.00 0.00 0.00 60.65 60.11 1pcf s ILE 85 Cb -0.15 -2.73 0.06 0.00 0.01 0.00 0.00 42.46 39.66 1pcf s ILE 85 CO 0.01 0.39 0.56 -0.60 0.00 0.00 0.00 174.94 175.30 1pcf s ARG 86 N 1.48 1.17 0.21 2.79 3.52 -0.84 -1.16 118.95 126.12 1pcf s ARG 86 Ca 0.06 -0.39 -0.13 0.00 -0.13 0.00 0.00 55.73 55.13 1pcf s ARG 86 Cb -0.15 0.54 -0.07 0.00 -1.56 0.00 0.00 34.95 33.71 1pcf s ARG 86 CO -0.00 -0.48 0.60 -1.21 -0.81 0.00 0.00 175.30 173.40 1pcf s GLU 87 N -3.25 3.95 0.17 5.12 2.02 -0.41 -2.04 118.70 124.26 1pcf s GLU 87 Ca -0.01 0.49 0.09 0.00 0.02 0.00 0.00 54.97 55.55 1pcf s GLU 87 Cb -0.00 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 1pcf s GLU 87 CO -0.08 0.37 -0.18 0.71 0.02 0.00 0.00 175.26 176.09 1pcf s TYR 88 N -1.66 1.83 0.34 1.61 1.51 -0.23 -0.06 117.35 120.69 1pcf s TYR 88 Ca 0.44 -0.47 0.09 0.00 -1.01 0.00 0.00 57.07 56.12 1pcf s TYR 88 Cb -0.13 -0.91 -0.05 0.00 -0.11 0.00 0.00 41.96 40.76 1pcf s TYR 88 CO 0.20 0.33 0.06 -1.58 -1.11 0.00 0.00 175.55 173.46 1pcf s TRP 89 N -2.04 2.62 -0.18 2.71 0.52 0.47 -4.84 118.94 118.20 1pcf s TRP 89 Ca 0.16 -0.40 -0.05 0.00 0.02 0.00 0.00 56.10 55.83 1pcf s TRP 89 Cb -0.06 -1.53 -0.03 0.00 -1.15 0.00 0.00 33.47 30.70 1pcf s TRP 89 CO 0.07 0.43 -0.01 1.41 0.02 0.00 0.00 176.95 178.86 1pcf s MET 90 N -3.77 3.68 0.80 4.98 1.75 -1.26 -0.43 119.30 125.06 1pcf s MET 90 Ca 0.36 -0.50 -0.09 0.00 -1.25 0.00 0.00 55.69 54.20 1pcf s MET 90 Cb -0.01 -3.01 0.12 0.00 2.84 0.00 0.00 34.83 34.77 1pcf s MET 90 CO 0.21 0.16 1.13 0.16 -0.65 0.00 0.00 175.02 176.02 1pcf s ASP 91 N 0.61 4.12 0.48 1.11 1.47 0.02 -4.92 116.67 119.57 1pcf s ASP 91 Ca -0.01 0.26 0.33 0.00 1.18 0.00 0.00 52.55 54.31 1pcf s ASP 91 Cb -0.14 -0.64 1.69 0.00 -0.34 0.00 0.00 42.92 43.49 1pcf s ASP 91 CO 0.02 -2.06 1.99 -0.65 0.68 0.00 0.00 175.17 175.16 1pcf h PRO 92 N -0.98 0.00 -0.10 2.11 0.11 -1.99 -0.29 132.00 130.86 1pcf h PRO 92 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1pcf h PRO 92 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1pcf h PRO 92 CO 0.49 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.67 1pcf n GLU 93 N -2.69 1.68 -0.78 1.05 4.71 -1.26 -4.91 120.64 118.44 1pcf n GLU 93 Ca -0.01 -1.01 0.00 0.00 -0.01 0.00 0.00 57.16 56.12 1pcf n GLU 93 Cb 0.10 -1.43 0.00 0.00 -1.01 0.00 0.00 31.44 29.10 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 1.14 0.59 3.83 0.62 0.00 -0.12 -5.04 105.19 106.22 1pcf n GLY 94 Ca 0.17 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.46 4.02 0.08 1.61 2.02 -1.26 -4.81 118.70 119.91 1pcf s GLU 95 Ca 0.00 0.53 -0.30 0.00 0.02 0.00 0.00 54.97 55.22 1pcf s GLU 95 Cb 0.00 -3.10 -0.05 0.00 0.10 0.00 0.00 34.13 31.08 1pcf s GLU 95 CO 0.00 0.58 1.03 -1.64 0.02 0.00 0.00 175.26 175.26 1pcf s MET 96 N -1.49 4.59 -0.01 1.61 -1.94 -1.26 -0.80 119.30 120.01 1pcf s MET 96 Ca 0.32 1.55 0.03 0.00 -1.71 0.00 0.00 55.69 55.87 1pcf s MET 96 Cb -0.17 -3.38 -0.01 0.00 2.01 0.00 0.00 34.83 33.29 1pcf s MET 96 CO 0.18 0.03 -0.09 0.15 -0.01 0.00 0.00 175.02 175.29 1pcf s LYS 97 N 0.39 0.71 0.15 2.03 -0.14 0.43 -4.95 119.74 118.37 1pcf s LYS 97 Ca 0.51 -0.31 -0.30 0.00 -1.36 0.00 0.00 55.97 54.51 1pcf s LYS 97 Cb -0.25 -0.69 -0.08 0.00 -1.68 0.00 0.00 37.83 35.13 1pcf s LYS 97 CO 0.30 0.18 1.31 -1.25 -0.76 0.00 0.00 175.35 175.14 1pcf s PRO 98 N -0.18 4.38 0.71 -1.68 0.04 -1.26 -0.39 135.00 136.61 1pcf s PRO 98 Ca 0.03 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.07 1pcf s PRO 98 Cb -0.04 -3.23 0.12 0.00 0.04 0.00 0.00 34.50 31.39 1pcf s PRO 98 CO -0.00 -0.30 0.99 0.20 0.04 0.00 0.00 177.00 177.92 1pcf s GLY 99 N 0.66 1.76 0.45 0.56 0.00 0.92 -4.83 107.32 106.84 1pcf s GLY 99 Ca 0.59 -1.69 0.28 0.00 0.00 0.00 0.00 44.72 43.90 1pcf s GLY 99 CO 0.34 -1.14 1.80 3.21 0.00 0.00 0.00 173.10 177.31 1pcf h ARG 100 N -0.51 0.00 -5.17 2.90 3.08 -1.95 -3.40 114.38 109.32 1pcf h ARG 100 Ca -0.37 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.00 1pcf h ARG 100 Cb 1.27 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.16 1pcf h ARG 100 CO 0.41 0.00 1.09 0.15 -1.07 0.00 0.00 179.97 180.55 1pcf s LYS 101 N -3.41 3.71 0.13 0.04 1.02 -1.26 -4.88 119.74 115.08 1pcf s LYS 101 Ca 0.04 -1.83 -0.25 0.00 0.02 0.00 0.00 55.97 53.96 1pcf s LYS 101 Cb 0.08 -5.04 0.07 0.00 -0.52 0.00 0.00 37.83 32.42 1pcf s LYS 101 CO 0.58 -1.86 0.80 0.20 -0.92 0.00 0.00 175.35 174.15 1pcf s GLY 102 N 3.71 -0.38 -0.00 -3.33 0.00 -1.26 -1.28 107.32 104.77 1pcf s GLY 102 Ca 0.37 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.50 1pcf s GLY 102 CO -0.07 0.13 0.00 -1.50 0.00 0.00 0.00 173.10 171.66 1pcf s ILE 103 N -3.48 0.00 -0.28 0.90 2.07 -0.31 -4.98 121.20 115.13 1pcf s ILE 103 Ca 0.07 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.21 1pcf s ILE 103 Cb -0.02 -0.02 -0.04 0.00 0.13 0.00 0.00 42.46 42.52 1pcf s ILE 103 CO -0.04 0.00 0.15 -0.44 -1.91 0.00 0.00 174.94 172.70 1pcf s SER 104 N 0.03 5.70 0.01 4.50 0.01 -1.26 -1.07 113.70 121.62 1pcf s SER 104 Ca -0.00 -0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.10 1pcf s SER 104 Cb -0.00 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 1pcf s SER 104 CO -0.00 -0.08 0.05 -0.76 0.41 0.00 0.00 173.24 172.86 1pcf s LEU 105 N 1.70 3.72 0.71 2.44 1.43 -0.04 -4.95 118.68 123.69 1pcf s LEU 105 Ca 0.06 0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1pcf s LEU 105 Cb -0.16 -2.19 0.10 0.00 0.03 0.00 0.00 46.19 43.97 1pcf s LEU 105 CO 0.08 0.26 0.99 0.54 0.23 0.00 0.00 176.35 178.45 1pcf s ASN 106 N -1.76 4.49 0.40 2.29 2.20 -1.26 -0.38 114.94 120.93 1pcf s ASN 106 Ca 0.22 -0.06 0.11 0.00 -0.94 0.00 0.00 52.86 52.19 1pcf s ASN 106 Cb -0.12 -0.43 0.82 0.00 -2.00 0.00 0.00 41.25 39.52 1pcf s ASN 106 CO 0.13 -1.76 1.91 -0.65 -2.94 0.00 0.00 177.10 173.80 1pcf h PRO 107 N -0.54 0.12 -0.35 3.55 0.11 -1.98 -0.86 132.00 132.05 1pcf h PRO 107 Ca -0.40 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 1pcf h PRO 107 Cb 1.28 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1pcf h PRO 107 CO 0.46 0.33 -0.03 1.49 -0.21 0.00 0.00 178.00 180.05 1pcf h GLU 108 N 0.12 0.64 -0.48 1.05 4.81 -1.97 -0.86 114.58 117.88 1pcf h GLU 108 Ca 0.02 -0.22 -0.11 0.00 -0.13 0.00 0.00 59.36 58.92 1pcf h GLU 108 Cb 0.43 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1pcf h GLU 108 CO 0.03 0.77 -0.12 1.96 -0.73 0.00 0.00 179.01 180.92 1pcf h GLN 109 N 0.44 0.94 -0.94 1.92 4.20 -1.79 -0.95 115.11 118.93 1pcf h GLN 109 Ca 0.10 -0.36 0.01 0.00 0.06 0.00 0.00 58.65 58.45 1pcf h GLN 109 Cb 0.50 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.18 1pcf h GLN 109 CO 0.02 1.02 0.61 2.35 -0.67 0.00 0.00 178.83 182.17 1pcf h TRP 110 N 0.79 1.20 -0.27 2.96 2.91 -1.12 0.24 115.95 122.66 1pcf h TRP 110 Ca 0.12 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 60.08 1pcf h TRP 110 Cb 0.68 -0.40 -0.01 0.00 -0.51 0.00 0.00 29.16 28.91 1pcf h TRP 110 CO 0.05 0.77 -0.20 1.03 -1.03 0.00 0.00 178.44 179.06 1pcf h SER 111 N 1.29 0.49 -0.14 2.65 0.87 -0.80 -0.87 113.55 117.05 1pcf h SER 111 Ca 0.34 -0.15 -0.15 0.00 -1.23 0.00 0.00 61.79 60.61 1pcf h SER 111 Cb -0.12 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 1pcf h SER 111 CO -0.07 0.70 -0.43 1.56 -0.53 0.00 0.00 176.83 178.06 1pcf h GLN 112 N 0.45 0.68 -0.45 2.24 1.08 -0.65 -0.90 115.11 117.56 1pcf h GLN 112 Ca 0.07 -0.36 0.01 0.00 -1.45 0.00 0.00 58.65 56.92 1pcf h GLN 112 Cb 0.60 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.02 1pcf h GLN 112 CO 0.04 0.98 0.29 1.25 -0.95 0.00 0.00 178.83 180.44 1pcf h LEU 113 N 0.55 0.49 -1.03 1.46 5.85 -0.41 -2.16 115.31 120.06 1pcf h LEU 113 Ca 0.04 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1pcf h LEU 113 Cb 0.96 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 1pcf h LEU 113 CO 0.09 0.35 0.47 0.11 -0.34 0.00 0.00 178.44 179.12 1pcf h LYS 114 N 0.59 1.14 0.00 1.25 1.57 -0.91 -1.99 116.57 118.21 1pcf h LYS 114 Ca 0.17 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1pcf h LYS 114 Cb -0.04 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 1pcf h LYS 114 CO -0.05 0.82 -0.25 0.93 -0.57 0.00 0.00 179.45 180.33 1pcf h GLU 115 N 1.15 0.00 -0.02 3.15 5.08 -0.80 -2.51 114.58 120.64 1pcf h GLU 115 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1pcf h GLU 115 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1pcf h GLU 115 CO -0.05 0.25 0.00 1.04 -1.00 0.00 0.00 179.01 179.25 1pcf n GLN 116 N -3.87 1.38 -0.22 2.33 1.13 -0.77 -4.50 117.38 112.86 1pcf n GLN 116 Ca -0.02 -0.56 -0.07 0.00 -1.94 0.00 0.00 57.00 54.42 1pcf n GLN 116 Cb 0.34 -1.48 0.04 0.00 0.11 0.00 0.00 30.24 29.25 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 1.34 1.22 -0.26 5.09 2.04 -1.22 0.02 117.51 125.75 1pcf h ILE 117 Ca 0.00 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1pcf h ILE 117 Cb 0.29 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1pcf h ILE 117 CO 0.00 0.26 0.17 0.28 0.00 0.00 0.00 178.15 178.86 1pcf h SER 118 N 0.87 0.30 -0.81 1.72 0.02 -1.82 0.14 113.55 113.97 1pcf h SER 118 Ca 0.21 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1pcf h SER 118 Cb 0.14 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 1pcf h SER 118 CO -0.02 0.23 0.38 0.44 -1.14 0.00 0.00 176.83 176.72 1pcf h ASP 119 N 0.35 1.07 -0.34 3.07 3.32 -1.72 -1.37 116.42 120.80 1pcf h ASP 119 Ca 0.10 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1pcf h ASP 119 Cb -0.03 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1pcf h ASP 119 CO -0.02 0.91 0.14 0.40 -1.72 0.00 0.00 179.24 178.96 1pcf h ILE 120 N 1.16 1.18 -0.43 0.35 2.04 -0.68 -2.35 117.51 118.78 1pcf h ILE 120 Ca 0.28 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 1pcf h ILE 120 Cb 0.14 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1pcf h ILE 120 CO -0.03 0.19 0.11 0.44 0.00 0.00 0.00 178.15 178.86 1pcf h ASP 121 N 0.40 0.58 -0.54 1.72 3.32 -0.62 0.30 116.42 121.59 1pcf h ASP 121 Ca 0.11 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 1pcf h ASP 121 Cb 0.17 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1pcf h ASP 121 CO -0.01 0.58 0.11 -0.78 -1.72 0.00 0.00 179.24 177.42 1pcf h ASP 122 N 0.62 0.87 -0.32 6.45 3.58 -1.03 -0.93 116.42 125.66 1pcf h ASP 122 Ca 0.14 -0.18 -0.18 0.00 0.42 0.00 0.00 57.03 57.24 1pcf h ASP 122 Cb 0.22 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.04 1pcf h ASP 122 CO -0.00 0.86 -0.50 0.00 -2.88 0.00 0.00 179.24 176.71 1pcf h ALA 123 N 1.25 0.50 -0.62 -0.78 0.00 -0.77 -2.29 119.26 116.56 1pcf h ALA 123 Ca 0.18 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1pcf h ALA 123 Cb 0.35 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1pcf h ALA 123 CO 0.00 0.68 0.39 0.28 0.00 0.00 0.00 179.25 180.61 1pcf h VAL 124 N 0.70 1.11 0.00 0.00 2.07 -0.63 -0.23 116.25 119.27 1pcf h VAL 124 Ca 0.03 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1pcf h VAL 124 Cb 1.11 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1pcf h VAL 124 CO 0.11 0.14 -0.02 0.08 0.02 0.00 0.00 177.57 177.90 1pcf h ARG 125 N 0.78 0.00 0.00 1.57 0.11 -1.02 -3.30 114.38 112.53 1pcf h ARG 125 Ca 0.24 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 60.11 1pcf h ARG 125 Cb -0.03 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.01 1pcf h ARG 125 CO -0.08 0.02 -1.90 1.63 0.10 0.00 0.00 179.97 179.74 1pcf n LYS 126 N -3.11 0.65 0.00 0.08 5.02 -0.87 -5.11 118.16 114.82 1pcf n LYS 126 Ca 0.02 0.05 0.15 0.00 -2.02 0.00 0.00 58.31 56.50 1pcf n LYS 126 Cb 0.41 -1.64 0.66 0.00 -0.02 0.00 0.00 35.03 34.44 1pcf n LYS 126 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16