#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hcs n GLY 55 N 0.00 -2.50 3.66 1.69 0.00 -1.26 -4.83 105.19 101.94 3hcs n GLY 55 Ca 0.00 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 3hcs n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hcs s TYR 56 N -3.11 1.99 -0.99 1.61 1.51 -0.30 -4.83 117.35 113.23 3hcs s TYR 56 Ca 0.70 0.21 -0.06 0.00 -1.01 0.00 0.00 57.07 56.91 3hcs s TYR 56 Cb -0.06 -3.91 0.25 0.00 -0.11 0.00 0.00 41.96 38.13 3hcs s TYR 56 CO 0.53 -3.80 0.92 0.34 -1.11 0.00 0.00 175.55 172.43 3hcs s ASP 57 N 3.37 6.63 0.13 2.29 2.15 -1.26 -3.44 116.67 126.55 3hcs s ASP 57 Ca 0.73 -3.60 -0.03 0.00 0.43 0.00 0.00 52.55 50.08 3hcs s ASP 57 Cb -0.33 -2.06 -0.03 0.00 -0.30 0.00 0.00 42.92 40.20 3hcs s ASP 57 CO 0.29 -0.25 0.12 0.68 -0.17 0.00 0.00 175.17 175.83 3hcs s VAL 58 N -1.21 0.10 -0.36 1.11 -7.23 -1.26 -5.12 120.40 106.43 3hcs s VAL 58 Ca 0.28 -1.74 -0.21 0.00 -1.81 0.00 0.00 61.98 58.49 3hcs s VAL 58 Cb -0.09 -1.94 0.00 0.00 0.56 0.00 0.00 36.38 34.92 3hcs s VAL 58 CO -0.10 -0.46 0.68 -0.70 -0.31 0.00 0.00 175.10 174.22 3hcs s GLU 59 N -4.01 3.71 0.24 4.82 2.12 -1.26 -5.02 118.70 119.28 3hcs s GLU 59 Ca 0.21 0.14 -0.13 0.00 0.36 0.00 0.00 54.97 55.55 3hcs s GLU 59 Cb 0.06 -3.81 -0.08 0.00 0.26 0.00 0.00 34.13 30.57 3hcs s GLU 59 CO 0.00 -0.77 0.61 -0.06 -0.54 0.00 0.00 175.26 174.50 3hcs s PHE 60 N 2.83 3.46 -0.27 5.30 0.08 -1.26 -1.14 117.98 126.98 3hcs s PHE 60 Ca 0.27 1.03 -0.02 0.00 0.12 0.00 0.00 56.93 58.33 3hcs s PHE 60 Cb -0.14 -2.38 0.16 0.00 -0.57 0.00 0.00 43.02 40.10 3hcs s PHE 60 CO 0.15 0.26 0.51 0.34 -0.10 0.00 0.00 175.22 176.38 3hcs s ASP 61 N -2.17 -0.69 0.94 1.36 2.15 -0.59 -3.68 116.67 113.99 3hcs s ASP 61 Ca 0.47 0.63 -0.12 0.00 0.43 0.00 0.00 52.55 53.96 3hcs s ASP 61 Cb -0.12 1.72 0.06 0.00 -0.30 0.00 0.00 42.92 44.29 3hcs s ASP 61 CO 0.20 -0.28 0.60 -0.81 -0.17 0.00 0.00 175.17 174.71 3hcs n PRO 62 N 5.40 -0.33 -1.62 4.34 -0.04 -1.26 -4.57 135.00 136.92 3hcs n PRO 62 Ca -0.02 -0.05 -0.39 0.00 -0.04 0.00 0.00 63.50 63.00 3hcs n PRO 62 Cb 0.51 -1.99 0.03 0.00 -0.04 0.00 0.00 33.50 32.01 3hcs n PRO 62 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3hcs n PRO 63 N -2.35 1.17 -1.89 0.54 -0.02 -1.24 -4.92 135.00 126.28 3hcs n PRO 63 Ca 0.08 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 3hcs n PRO 63 Cb 0.53 -2.13 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 3hcs n PRO 63 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3hcs s LEU 64 N -1.31 4.37 0.33 2.45 2.96 -1.26 -4.99 118.68 121.22 3hcs s LEU 64 Ca 0.69 2.78 -0.24 0.00 -0.22 0.00 0.00 54.13 57.14 3hcs s LEU 64 Cb -0.48 -3.62 -0.10 0.00 0.50 0.00 0.00 46.19 42.49 3hcs s LEU 64 CO 0.52 -0.82 0.92 -1.61 -1.32 0.00 0.00 176.35 174.04 3hcs s GLU 65 N -0.13 4.47 0.40 1.98 2.02 -1.26 -4.95 118.70 121.24 3hcs s GLU 65 Ca 0.63 1.23 0.16 0.00 0.02 0.00 0.00 54.97 57.00 3hcs s GLU 65 Cb -0.45 -2.69 1.03 0.00 0.10 0.00 0.00 34.13 32.12 3hcs s GLU 65 CO 0.43 0.23 1.86 0.66 0.02 0.00 0.00 175.26 178.46 3hcs h SER 66 N 2.95 0.46 -0.04 -0.19 4.64 -1.96 -1.36 113.55 118.05 3hcs h SER 66 Ca -0.47 0.04 0.01 0.00 -0.47 0.00 0.00 61.79 60.90 3hcs h SER 66 Cb 1.19 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3hcs h SER 66 CO 0.64 0.20 0.15 0.07 -0.87 0.00 0.00 176.83 177.02 3hcs h LYS 67 N 0.47 0.00 -0.49 4.77 2.10 -2.03 -0.44 116.57 120.94 3hcs h LYS 67 Ca 0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 3hcs h LYS 67 Cb 1.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 3hcs h LYS 67 CO -0.19 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.92 3hcs n TYR 68 N -3.21 0.66 -3.64 0.07 4.01 -0.51 -4.96 117.16 109.58 3hcs n TYR 68 Ca -0.02 -0.49 -0.37 0.00 -0.16 0.00 0.00 57.90 56.86 3hcs n TYR 68 Cb 0.22 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.17 3hcs n TYR 68 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3hcs s GLU 69 N -1.01 3.80 -0.14 -0.72 2.12 -0.18 -1.59 118.70 120.98 3hcs s GLU 69 Ca 0.33 0.18 -0.29 0.00 0.36 0.00 0.00 54.97 55.55 3hcs s GLU 69 Cb 0.17 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.32 3hcs s GLU 69 CO 0.23 0.65 1.06 0.00 -0.54 0.00 0.00 175.26 176.66 3hcs h PRO 71 N 7.32 0.00 0.00 0.00 0.11 -1.90 0.46 132.00 137.99 3hcs h PRO 71 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3hcs h PRO 71 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hcs h PRO 71 CO 0.91 0.00 -0.02 0.82 -0.21 0.00 0.00 178.00 179.50 3hcs h ILE 72 N 0.00 0.00 0.00 4.15 2.04 -1.91 -3.39 117.51 118.40 3hcs h ILE 72 Ca 0.15 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3hcs h ILE 72 Cb 0.71 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3hcs h ILE 72 CO -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 178.15 177.74 3hcs n LEU 74 N -1.66 -1.96 -4.46 0.00 4.77 0.16 -4.83 117.00 109.03 3hcs n LEU 74 Ca 0.05 -0.06 -0.22 0.00 -0.03 0.00 0.00 56.01 55.75 3hcs n LEU 74 Cb 0.36 -2.67 -0.10 0.00 -2.33 0.00 0.00 43.42 38.69 3hcs n LEU 74 CO 0.33 -0.13 -0.24 -0.04 -1.33 0.00 0.00 177.39 175.98 3hcs s MET 75 N -5.03 1.71 0.17 3.23 -1.94 -1.25 -4.78 119.30 111.42 3hcs s MET 75 Ca 0.04 -1.98 -0.33 0.00 -1.71 0.00 0.00 55.69 51.71 3hcs s MET 75 Cb -0.02 -0.71 -0.14 0.00 2.01 0.00 0.00 34.83 35.97 3hcs s MET 75 CO 0.06 -0.30 1.58 0.00 -0.01 0.00 0.00 175.02 176.35 3hcs n ALA 76 N -0.73 1.53 -1.66 3.03 0.00 -1.22 -0.44 120.51 121.00 3hcs n ALA 76 Ca -0.03 0.44 -0.51 0.00 0.00 0.00 0.00 53.44 53.34 3hcs n ALA 76 Cb 0.66 -2.37 -0.05 0.00 0.00 0.00 0.00 19.45 17.69 3hcs n ALA 76 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hcs n LEU 77 N 3.35 2.71 -4.40 0.00 4.77 -0.62 -1.15 117.00 121.65 3hcs n LEU 77 Ca 0.16 1.06 -0.36 0.00 -0.03 0.00 0.00 56.01 56.84 3hcs n LEU 77 Cb 0.30 -1.29 -0.13 0.00 -2.33 0.00 0.00 43.42 39.97 3hcs n LEU 77 CO 0.63 -0.43 -0.32 -0.60 -1.33 0.00 0.00 177.39 175.34 3hcs s ARG 78 N 2.32 3.56 -1.15 3.23 3.52 -1.26 -4.48 118.95 124.68 3hcs s ARG 78 Ca 0.89 -0.53 -0.07 0.00 -0.13 0.00 0.00 55.73 55.88 3hcs s ARG 78 Cb -0.83 -3.19 -0.03 0.00 -1.56 0.00 0.00 34.95 29.34 3hcs s ARG 78 CO 0.50 -0.17 0.85 0.39 -0.81 0.00 0.00 175.30 176.07 3hcs n GLU 79 N 4.79 -3.30 -1.66 5.12 -0.58 -1.26 -2.87 120.64 120.88 3hcs n GLU 79 Ca -0.17 0.72 -0.47 0.00 -0.42 0.00 0.00 57.16 56.82 3hcs n GLU 79 Cb 0.51 -5.30 -0.04 0.00 -0.57 0.00 0.00 31.44 26.03 3hcs n GLU 79 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hcs n ALA 80 N -3.82 1.04 -2.61 0.62 0.00 -1.26 -1.76 120.51 112.72 3hcs n ALA 80 Ca -0.16 0.45 -0.20 0.00 0.00 0.00 0.00 53.44 53.53 3hcs n ALA 80 Cb 0.63 -2.32 -0.12 0.00 0.00 0.00 0.00 19.45 17.65 3hcs n ALA 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hcs s VAL 81 N 0.94 1.38 0.03 0.00 -7.23 -0.18 -0.32 120.40 115.03 3hcs s VAL 81 Ca 0.80 -1.47 0.08 0.00 -1.81 0.00 0.00 61.98 59.57 3hcs s VAL 81 Cb -0.72 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 3hcs s VAL 81 CO 0.39 -0.20 -0.22 -1.58 -0.31 0.00 0.00 175.10 173.19 3hcs s GLN 82 N -1.98 1.98 0.48 4.82 0.74 0.54 -1.44 119.66 124.81 3hcs s GLN 82 Ca 0.03 -1.02 -0.01 0.00 0.05 0.00 0.00 55.36 54.42 3hcs s GLN 82 Cb -0.09 -2.10 -0.00 0.00 1.10 0.00 0.00 33.01 31.92 3hcs s GLN 82 CO 0.03 0.53 0.72 0.95 -0.55 0.00 0.00 175.29 176.97 3hcs s THR 83 N -0.84 3.92 0.47 -0.34 -4.23 -0.46 -1.80 115.64 112.36 3hcs s THR 83 Ca 0.13 -0.40 0.14 0.00 -1.18 0.00 0.00 61.69 60.38 3hcs s THR 83 Cb -0.10 -3.47 0.23 0.00 1.34 0.00 0.00 72.50 70.50 3hcs s THR 83 CO 0.03 -0.36 2.07 -0.65 -0.54 0.00 0.00 174.62 175.17 3hcs h PRO 84 N 0.29 0.09 -0.79 3.99 0.11 -1.91 -0.93 132.00 132.84 3hcs h PRO 84 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hcs h PRO 84 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hcs h PRO 84 CO 0.58 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.50 3hcs n GLY 86 N 0.24 -0.06 3.33 0.00 0.00 -0.35 -5.05 105.19 103.30 3hcs n GLY 86 Ca 0.07 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 3hcs n GLY 86 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hcs s HIS 87 N -2.65 2.49 0.08 1.61 3.76 -1.26 -4.90 115.29 114.43 3hcs s HIS 87 Ca 0.05 -0.53 -0.10 0.00 -0.15 0.00 0.00 55.06 54.32 3hcs s HIS 87 Cb -0.02 -1.60 -0.06 0.00 1.11 0.00 0.00 32.58 32.01 3hcs s HIS 87 CO 0.06 -0.09 0.41 1.03 -0.85 0.00 0.00 174.74 175.30 3hcs s ARG 88 N -0.35 3.78 0.13 1.40 0.52 -1.26 -1.36 118.95 121.80 3hcs s ARG 88 Ca 0.02 0.20 -0.15 0.00 -0.52 0.00 0.00 55.73 55.28 3hcs s ARG 88 Cb -0.12 -2.99 0.03 0.00 0.52 0.00 0.00 34.95 32.38 3hcs s ARG 88 CO 0.02 0.55 0.39 -0.06 0.02 0.00 0.00 175.30 176.22 3hcs s PHE 89 N -1.40 -0.14 0.41 -0.53 0.40 -0.52 -4.34 117.98 111.85 3hcs s PHE 89 Ca 0.33 -0.19 -0.25 0.00 -0.60 0.00 0.00 56.93 56.22 3hcs s PHE 89 Cb -0.14 0.23 -0.08 0.00 0.51 0.00 0.00 43.02 43.54 3hcs s PHE 89 CO 0.18 -0.70 1.21 0.00 0.70 0.00 0.00 175.22 176.61 3hcs h LYS 91 N 2.58 1.02 -0.38 0.00 3.64 -1.20 -2.42 116.57 119.80 3hcs h LYS 91 Ca -0.49 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 58.69 3hcs h LYS 91 Cb 1.24 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 3hcs h LYS 91 CO 0.62 0.67 -0.32 0.00 -2.27 0.00 0.00 179.45 178.16 3hcs h ALA 92 N 1.50 0.55 -0.14 5.00 0.00 -1.86 -2.55 119.26 121.76 3hcs h ALA 92 Ca 0.40 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3hcs h ALA 92 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hcs h ALA 92 CO -0.16 0.60 0.02 0.00 0.00 0.00 0.00 179.25 179.71 3hcs h ILE 94 N 0.01 1.26 -0.52 0.00 6.09 -1.50 -0.52 117.51 122.34 3hcs h ILE 94 Ca 0.04 -1.26 -0.09 0.00 -1.37 0.00 0.00 64.86 62.18 3hcs h ILE 94 Cb 0.32 1.18 -0.02 0.00 0.47 0.00 0.00 36.82 38.78 3hcs h ILE 94 CO 0.00 0.42 -0.04 0.40 -3.07 0.00 0.00 178.15 175.86 3hcs h ILE 95 N 0.62 1.27 -0.55 2.19 2.04 -1.43 -0.52 117.51 121.13 3hcs h ILE 95 Ca 0.10 -1.15 -0.06 0.00 1.00 0.00 0.00 64.86 64.74 3hcs h ILE 95 Cb 0.66 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3hcs h ILE 95 CO 0.05 0.41 0.11 0.50 0.00 0.00 0.00 178.15 179.21 3hcs h LYS 96 N 0.81 0.86 -0.65 2.37 3.64 -1.07 0.42 116.57 122.96 3hcs h LYS 96 Ca 0.14 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 3hcs h LYS 96 Cb 0.58 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 3hcs h LYS 96 CO 0.03 0.79 0.11 1.03 -2.27 0.00 0.00 179.45 179.15 3hcs h SER 97 N 0.83 1.02 0.47 4.20 0.87 -0.68 -2.98 113.55 117.27 3hcs h SER 97 Ca 0.18 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 3hcs h SER 97 Cb 0.34 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 3hcs h SER 97 CO 0.00 1.02 -0.23 0.40 -0.53 0.00 0.00 176.83 177.50 3hcs h ILE 98 N 0.99 0.37 0.00 2.23 2.04 -0.69 0.85 117.51 123.29 3hcs h ILE 98 Ca 0.20 -0.50 -0.23 0.00 1.00 0.00 0.00 64.86 65.33 3hcs h ILE 98 Cb 0.43 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 3hcs h ILE 98 CO 0.01 0.06 0.54 0.54 0.00 0.00 0.00 178.15 179.31 3hcs n ARG 99 N -5.23 1.84 0.00 2.37 1.74 0.10 -2.09 116.66 115.39 3hcs n ARG 99 Ca -0.10 -1.00 0.00 0.00 -0.77 0.00 0.00 57.85 55.98 3hcs n ARG 99 Cb 0.30 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 3hcs n ARG 99 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hcs n ASP 100 N 2.89 0.00 -0.55 0.55 4.64 -1.13 -4.86 116.55 118.09 3hcs n ASP 100 Ca 0.39 0.00 0.08 0.00 -1.38 0.00 0.00 54.79 53.88 3hcs n ASP 100 Cb 0.60 0.00 0.05 0.00 -1.04 0.00 0.00 41.12 40.73 3hcs n ASP 100 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3hcs n ALA 101 N 0.00 2.66 0.00 -1.67 0.00 0.29 -5.06 120.51 116.73 3hcs n ALA 101 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.85 3hcs n ALA 101 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3hcs n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hcs n GLY 102 N 0.95 2.55 2.78 0.00 0.00 -0.89 -4.85 105.19 105.74 3hcs n GLY 102 Ca 0.08 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 3hcs n GLY 102 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hcs n HIS 103 N 0.13 3.27 -3.53 1.61 8.25 -1.26 -3.95 115.22 119.74 3hcs n HIS 103 Ca 0.00 -2.81 -0.14 0.00 -0.26 0.00 0.00 57.72 54.52 3hcs n HIS 103 Cb 0.00 -2.43 -0.04 0.00 1.12 0.00 0.00 29.99 28.64 3hcs n HIS 103 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 3hcs s LYS 104 N 3.45 1.11 0.02 -0.41 -2.85 -1.23 -0.14 119.74 119.69 3hcs s LYS 104 Ca 0.49 -0.25 -0.30 0.00 -1.00 0.00 0.00 55.97 54.91 3hcs s LYS 104 Cb 0.14 0.51 -0.05 0.00 -2.06 0.00 0.00 37.83 36.37 3hcs s LYS 104 CO -0.06 -0.42 1.29 0.00 0.10 0.00 0.00 175.35 176.26 3hcs h PRO 106 N 7.29 0.00 0.13 0.00 0.13 -1.95 0.21 132.00 137.80 3hcs h PRO 106 Ca -0.39 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.45 3hcs h PRO 106 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3hcs h PRO 106 CO 0.86 0.00 -1.44 0.28 -0.23 0.00 0.00 178.00 177.47 3hcs h VAL 107 N 0.00 1.26 0.00 1.56 2.07 -1.98 -3.41 116.25 115.76 3hcs h VAL 107 Ca 0.00 -2.87 0.00 0.00 0.82 0.00 0.00 66.70 64.65 3hcs h VAL 107 Cb 0.13 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 3hcs h VAL 107 CO 0.00 0.84 0.00 -0.90 0.02 0.00 0.00 177.57 177.53 3hcs n ASP 108 N -3.49 0.59 -0.48 0.57 5.68 -1.15 -5.01 116.55 113.25 3hcs n ASP 108 Ca -0.14 -1.27 -0.06 0.00 -0.50 0.00 0.00 54.79 52.82 3hcs n ASP 108 Cb 1.04 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.99 3hcs n ASP 108 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3hcs n ASN 109 N -0.14 -5.37 -4.77 -1.12 3.02 0.74 -4.96 115.26 102.66 3hcs n ASN 109 Ca 0.00 0.16 -0.40 0.00 -0.03 0.00 0.00 54.58 54.31 3hcs n ASN 109 Cb 0.39 -3.43 -0.01 0.00 -0.61 0.00 0.00 39.78 36.12 3hcs n ASN 109 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3hcs s GLU 110 N -2.33 4.02 0.20 3.52 2.56 -1.25 -4.62 118.70 120.79 3hcs s GLU 110 Ca 0.00 2.16 -0.32 0.00 0.00 0.00 0.00 54.97 56.81 3hcs s GLU 110 Cb 0.00 -2.79 -0.11 0.00 2.00 0.00 0.00 34.13 33.22 3hcs s GLU 110 CO 0.00 -0.45 1.69 0.42 -0.56 0.00 0.00 175.26 176.35 3hcs s ILE 111 N -1.25 2.17 -0.03 -3.70 1.01 -1.26 -0.01 121.20 118.13 3hcs s ILE 111 Ca 0.56 0.12 0.01 0.00 0.00 0.00 0.00 60.65 61.33 3hcs s ILE 111 Cb -0.38 -3.08 0.02 0.00 0.01 0.00 0.00 42.46 39.04 3hcs s ILE 111 CO 0.49 0.01 -0.01 -0.22 0.00 0.00 0.00 174.94 175.21 3hcs s LEU 112 N 1.20 1.24 -0.03 2.97 2.96 0.80 -4.76 118.68 123.06 3hcs s LEU 112 Ca 0.74 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.63 3hcs s LEU 112 Cb -0.48 -0.26 -0.03 0.00 0.50 0.00 0.00 46.19 45.91 3hcs s LEU 112 CO 0.32 -0.08 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.41 3hcs s LEU 113 N 0.95 3.04 0.33 -0.68 1.43 -1.26 -3.48 118.68 119.01 3hcs s LEU 113 Ca -0.10 -0.14 0.08 0.00 -1.03 0.00 0.00 54.13 52.94 3hcs s LEU 113 Cb -0.13 -1.70 0.79 0.00 0.03 0.00 0.00 46.19 45.18 3hcs s LEU 113 CO -0.01 0.32 1.81 -0.08 0.23 0.00 0.00 176.35 178.61 3hcs h GLU 114 N 4.91 0.70 0.00 1.70 4.81 -1.98 0.21 114.58 124.92 3hcs h GLU 114 Ca -0.48 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3hcs h GLU 114 Cb 1.17 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3hcs h GLU 114 CO 0.52 0.46 0.00 0.27 -0.73 0.00 0.00 179.01 179.53 3hcs n ASN 115 N -4.67 0.00 0.01 1.04 0.23 -1.26 -2.49 115.26 108.12 3hcs n ASN 115 Ca 0.22 -0.37 0.11 0.00 -0.53 0.00 0.00 54.58 54.01 3hcs n ASN 115 Cb 0.56 -0.12 0.01 0.00 -2.08 0.00 0.00 39.78 38.16 3hcs n ASN 115 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hcs n GLN 116 N -1.12 0.19 -2.29 -3.83 6.02 0.72 -4.95 117.38 112.12 3hcs n GLN 116 Ca 0.13 -0.01 -0.35 0.00 -0.01 0.00 0.00 57.00 56.75 3hcs n GLN 116 Cb 0.10 -1.55 -0.00 0.00 1.02 0.00 0.00 30.24 29.81 3hcs n GLN 116 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hcs s LEU 117 N -3.56 3.79 -0.01 1.08 1.43 -1.04 -4.50 118.68 115.87 3hcs s LEU 117 Ca 0.05 2.16 0.04 0.00 -1.03 0.00 0.00 54.13 55.36 3hcs s LEU 117 Cb 0.15 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.82 3hcs s LEU 117 CO 0.81 -1.13 -0.14 -0.36 0.23 0.00 0.00 176.35 175.76 3hcs s PHE 118 N -1.77 1.25 -0.02 0.29 0.08 -0.75 -4.96 117.98 112.11 3hcs s PHE 118 Ca 0.71 -0.24 -0.30 0.00 0.12 0.00 0.00 56.93 57.22 3hcs s PHE 118 Cb -0.23 -0.81 -0.06 0.00 -0.57 0.00 0.00 43.02 41.35 3hcs s PHE 118 CO 0.27 -0.03 1.59 -1.25 -0.10 0.00 0.00 175.22 175.70 3hcs s PRO 119 N -0.29 4.21 -1.20 0.24 0.04 -1.26 -0.33 135.00 136.39 3hcs s PRO 119 Ca 0.05 2.15 -0.10 0.00 0.04 0.00 0.00 61.00 63.14 3hcs s PRO 119 Cb -0.06 -3.82 0.21 0.00 0.04 0.00 0.00 34.50 30.87 3hcs s PRO 119 CO -0.00 -0.76 1.52 -3.47 0.04 0.00 0.00 177.00 174.32 3hcs n ASP 120 N 6.45 5.38 0.19 6.66 -0.08 0.57 -4.78 116.55 130.95 3hcs n ASP 120 Ca 0.16 -3.08 0.14 0.00 -1.51 0.00 0.00 54.79 50.50 3hcs n ASP 120 Cb 0.43 -1.48 0.61 0.00 2.34 0.00 0.00 41.12 43.02 3hcs n ASP 120 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 3hcs h ASN 121 N 6.44 0.00 -0.11 1.67 2.35 -1.91 -1.82 115.58 122.20 3hcs h ASN 121 Ca 0.30 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.00 3hcs h ASN 121 Cb 0.77 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.14 3hcs h ASN 121 CO 1.33 0.00 -0.15 0.15 -1.65 0.00 0.00 177.43 177.11 3hcs h PHE 122 N 0.00 0.37 -0.59 1.19 3.57 -1.95 -1.98 116.94 117.54 3hcs h PHE 122 Ca 0.00 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.34 3hcs h PHE 122 Cb 0.35 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 3hcs h PHE 122 CO 0.00 0.75 0.22 0.00 -2.23 0.00 0.00 178.31 177.05 3hcs h ALA 123 N 0.56 0.77 0.13 2.41 0.00 -1.82 -2.32 119.26 118.98 3hcs h ALA 123 Ca 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3hcs h ALA 123 Cb 0.71 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3hcs h ALA 123 CO 0.04 0.40 -0.21 -0.22 0.00 0.00 0.00 179.25 179.26 3hcs h LYS 124 N 0.82 -0.40 -0.72 0.00 3.64 -1.35 -0.05 116.57 118.51 3hcs h LYS 124 Ca 0.19 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.69 3hcs h LYS 124 Cb 0.24 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.08 3hcs h LYS 124 CO -0.01 -0.26 0.37 -0.09 -2.27 0.00 0.00 179.45 177.18 3hcs h ARG 125 N -0.41 0.61 -0.09 1.90 2.43 -1.24 -0.68 114.38 116.89 3hcs h ARG 125 Ca 0.02 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3hcs h ARG 125 Cb 0.42 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3hcs h ARG 125 CO -0.11 0.40 0.05 0.93 -1.51 0.00 0.00 179.97 179.73 3hcs h GLU 126 N 0.63 0.13 -0.74 0.20 4.39 -0.97 -2.71 114.58 115.51 3hcs h GLU 126 Ca 0.35 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 60.01 3hcs h GLU 126 Cb 0.36 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 3hcs h GLU 126 CO -0.26 0.21 0.36 0.82 -1.16 0.00 0.00 179.01 178.97 3hcs h ILE 127 N 0.03 1.23 0.00 3.13 2.04 -0.49 -2.17 117.51 121.29 3hcs h ILE 127 Ca 0.03 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3hcs h ILE 127 Cb 0.12 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3hcs h ILE 127 CO -0.00 0.28 0.00 0.18 0.00 0.00 0.00 178.15 178.60 3hcs n LEU 128 N -4.32 0.00 -0.66 1.44 4.77 -0.31 -2.44 117.00 115.48 3hcs n LEU 128 Ca 0.07 0.50 0.10 0.00 -0.03 0.00 0.00 56.01 56.65 3hcs n LEU 128 Cb 0.14 -0.50 0.04 0.00 -2.33 0.00 0.00 43.42 40.77 3hcs n LEU 128 CO 0.39 -0.16 0.44 -1.54 -1.33 0.00 0.00 177.39 175.19 3hcs n SER 129 N -1.50 2.35 -4.73 -1.43 3.41 -0.83 -1.53 113.62 109.37 3hcs n SER 129 Ca 0.05 -1.68 -0.41 0.00 -0.26 0.00 0.00 58.87 56.57 3hcs n SER 129 Cb 0.23 0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 3hcs n SER 129 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hcs s LEU 130 N -2.09 4.42 0.13 1.04 1.02 -1.02 -4.69 118.68 117.48 3hcs s LEU 130 Ca 0.21 2.31 -0.31 0.00 0.02 0.00 0.00 54.13 56.36 3hcs s LEU 130 Cb 0.17 -3.60 -0.08 0.00 0.02 0.00 0.00 46.19 42.70 3hcs s LEU 130 CO 0.40 -0.49 1.37 -0.04 0.02 0.00 0.00 176.35 177.61 3hcs s MET 131 N 0.05 4.34 0.16 1.70 -1.94 -1.26 -1.02 119.30 121.32 3hcs s MET 131 Ca 0.56 2.06 0.06 0.00 -1.71 0.00 0.00 55.69 56.66 3hcs s MET 131 Cb -0.35 -3.24 -0.04 0.00 2.01 0.00 0.00 34.83 33.21 3hcs s MET 131 CO 0.36 -0.40 -0.13 0.14 -0.01 0.00 0.00 175.02 174.99 3hcs s VAL 132 N 0.92 1.38 0.01 -6.03 -7.23 0.24 -1.55 120.40 108.15 3hcs s VAL 132 Ca 0.63 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.74 3hcs s VAL 132 Cb -0.37 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.72 3hcs s VAL 132 CO 0.32 -0.61 0.25 -0.54 -0.31 0.00 0.00 175.10 174.21 3hcs s LYS 133 N -3.40 3.54 0.26 4.82 1.02 -0.29 -0.81 119.74 124.89 3hcs s LYS 133 Ca 0.16 -0.15 -0.29 0.00 0.02 0.00 0.00 55.97 55.71 3hcs s LYS 133 Cb -0.01 -3.07 -0.09 0.00 -0.52 0.00 0.00 37.83 34.14 3hcs s LYS 133 CO 0.03 0.64 1.19 0.00 -0.92 0.00 0.00 175.35 176.29 3hcs h PRO 135 N 4.25 0.00 -6.63 0.00 0.13 -1.92 -3.46 132.00 124.35 3hcs h PRO 135 Ca -0.46 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.14 3hcs h PRO 135 Cb 1.22 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.38 3hcs h PRO 135 CO 0.70 0.00 0.73 -0.80 -0.23 0.00 0.00 178.00 178.39 3hcs s ASN 136 N -5.80 6.78 0.14 1.44 0.01 -1.26 -4.94 114.94 111.31 3hcs s ASN 136 Ca 0.05 2.45 -0.33 0.00 -0.71 0.00 0.00 52.86 54.32 3hcs s ASN 136 Cb 0.07 -2.60 -0.13 0.00 0.41 0.00 0.00 41.25 39.00 3hcs s ASN 136 CO 0.60 -0.65 1.68 -0.62 -1.51 0.00 0.00 177.10 176.61 3hcs n GLU 137 N 3.22 2.38 0.00 -0.60 -0.58 -1.26 -1.89 120.64 121.91 3hcs n GLU 137 Ca 0.09 0.86 0.00 0.00 -0.42 0.00 0.00 57.16 57.69 3hcs n GLU 137 Cb 0.42 -2.67 0.00 0.00 -0.57 0.00 0.00 31.44 28.61 3hcs n GLU 137 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hcs n GLY 138 N 3.76 3.16 3.73 0.62 0.00 -1.26 -4.83 105.19 110.36 3hcs n GLY 138 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3hcs n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hcs n LEU 140 N 2.48 2.20 -4.75 0.00 4.77 -1.26 -4.80 117.00 115.64 3hcs n LEU 140 Ca 0.02 -1.82 -0.41 0.00 -0.03 0.00 0.00 56.01 53.77 3hcs n LEU 140 Cb 0.48 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 3hcs n LEU 140 CO 0.51 0.54 1.07 -1.00 -1.33 0.00 0.00 177.39 177.18 3hcs s HIS 141 N -0.89 3.06 -0.00 -1.77 3.76 -1.26 -4.91 115.29 113.28 3hcs s HIS 141 Ca 0.09 1.11 0.07 0.00 -0.15 0.00 0.00 55.06 56.18 3hcs s HIS 141 Cb 0.05 -3.77 -0.02 0.00 1.11 0.00 0.00 32.58 29.95 3hcs s HIS 141 CO 0.06 -2.43 -0.22 0.15 -0.85 0.00 0.00 174.74 171.45 3hcs s LYS 142 N -0.51 1.74 0.29 1.40 1.02 -1.26 -1.70 119.74 120.72 3hcs s LYS 142 Ca 0.58 -0.83 -0.20 0.00 0.02 0.00 0.00 55.97 55.53 3hcs s LYS 142 Cb -0.41 -1.72 0.03 0.00 -0.52 0.00 0.00 37.83 35.21 3hcs s LYS 142 CO 0.44 0.47 0.75 0.00 -0.92 0.00 0.00 175.35 176.08 3hcs s MET 143 N -0.65 1.84 0.31 1.68 0.23 0.01 -4.93 119.30 117.78 3hcs s MET 143 Ca 0.09 -1.06 -0.29 0.00 -1.03 0.00 0.00 55.69 53.40 3hcs s MET 143 Cb -0.09 0.60 -0.10 0.00 -1.53 0.00 0.00 34.83 33.72 3hcs s MET 143 CO -0.00 -0.85 1.20 -1.21 -2.03 0.00 0.00 175.02 172.13 3hcs s GLU 144 N -3.57 4.49 0.32 3.16 2.02 -1.26 0.79 118.70 124.64 3hcs s GLU 144 Ca 0.12 2.01 0.09 0.00 0.02 0.00 0.00 54.97 57.21 3hcs s GLU 144 Cb -0.06 -3.12 0.91 0.00 0.10 0.00 0.00 34.13 31.96 3hcs s GLU 144 CO 0.08 0.00 1.69 1.25 0.02 0.00 0.00 175.26 178.30 3hcs h LEU 145 N 3.57 0.48 -1.21 1.80 5.85 -1.03 0.16 115.31 124.93 3hcs h LEU 145 Ca -0.48 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3hcs h LEU 145 Cb 1.22 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3hcs h LEU 145 CO 0.66 -0.03 0.00 -2.11 -0.34 0.00 0.00 178.44 176.62 3hcs n ARG 146 N -5.01 0.13 0.00 1.25 1.85 -0.58 -1.52 116.66 112.77 3hcs n ARG 146 Ca 0.27 0.60 0.07 0.00 -1.00 0.00 0.00 57.85 57.80 3hcs n ARG 146 Cb 0.80 -1.90 -0.05 0.00 -1.05 0.00 0.00 32.46 30.26 3hcs n ARG 146 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3hcs n HIS 147 N -2.17 0.00 -0.25 2.89 8.25 0.57 -4.61 115.22 119.90 3hcs n HIS 147 Ca -0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.40 3hcs n HIS 147 Cb 0.05 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.21 3hcs n HIS 147 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3hcs h LEU 148 N 0.76 0.77 -0.09 2.41 5.85 -1.22 -1.95 115.31 121.83 3hcs h LEU 148 Ca 0.00 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3hcs h LEU 148 Cb 0.44 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3hcs h LEU 148 CO 0.00 0.55 0.02 -0.08 -0.34 0.00 0.00 178.44 178.59 3hcs h GLU 149 N 0.91 0.06 -0.29 1.25 4.81 -1.82 -0.32 114.58 119.18 3hcs h GLU 149 Ca 0.26 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.42 3hcs h GLU 149 Cb -0.07 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3hcs h GLU 149 CO -0.07 0.04 -0.11 0.22 -0.73 0.00 0.00 179.01 178.36 3hcs h ASP 150 N 0.06 0.47 -0.39 1.04 3.58 -1.83 -2.95 116.42 116.40 3hcs h ASP 150 Ca 0.04 -0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.33 3hcs h ASP 150 Cb 0.03 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 3hcs h ASP 150 CO -0.05 0.62 0.08 -0.74 -2.88 0.00 0.00 179.24 176.27 3hcs h HIS 151 N 0.45 0.68 -0.08 0.28 2.76 -0.72 -2.90 115.15 115.63 3hcs h HIS 151 Ca 0.09 -0.09 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 3hcs h HIS 151 Cb 0.47 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.24 3hcs h HIS 151 CO 0.02 0.67 0.07 1.96 -1.30 0.00 0.00 177.93 179.34 3hcs h GLN 152 N 0.50 0.00 0.00 5.26 4.20 -0.90 0.30 115.11 124.47 3hcs h GLN 152 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3hcs h GLN 152 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3hcs h GLN 152 CO 0.01 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.17 3hcs n ALA 153 N -2.44 2.03 -0.01 3.87 0.00 -1.09 -3.53 120.51 119.34 3hcs n ALA 153 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3hcs n ALA 153 Cb 0.17 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3hcs n ALA 153 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hcs n HIS 154 N -1.67 0.00 -1.67 0.00 8.25 0.22 -5.06 115.22 115.29 3hcs n HIS 154 Ca 0.05 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.05 3hcs n HIS 154 Cb 0.28 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.35 3hcs n HIS 154 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hcs n GLU 156 N 3.59 0.06 -0.04 0.00 4.71 -1.26 -2.98 120.64 124.72 3hcs n GLU 156 Ca 0.17 0.18 0.12 0.00 -0.01 0.00 0.00 57.16 57.62 3hcs n GLU 156 Cb 0.29 -1.59 0.23 0.00 -1.01 0.00 0.00 31.44 29.36 3hcs n GLU 156 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 3hcs n PHE 157 N -1.70 0.10 -2.56 -0.32 3.72 -1.26 -1.19 117.46 114.24 3hcs n PHE 157 Ca 0.05 -0.05 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 3hcs n PHE 157 Cb 0.28 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.77 3hcs n PHE 157 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hcs s ALA 158 N -1.90 3.37 0.74 4.37 0.00 -1.16 -4.46 121.76 122.72 3hcs s ALA 158 Ca 0.32 0.79 -0.14 0.00 0.00 0.00 0.00 51.96 52.94 3hcs s ALA 158 Cb 0.21 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 20.06 3hcs s ALA 158 CO 0.31 -0.08 1.15 -0.51 0.00 0.00 0.00 175.76 176.63 3hcs s LEU 159 N -1.00 3.24 -0.10 0.00 1.43 -1.26 -1.52 118.68 119.46 3hcs s LEU 159 Ca 0.45 2.15 -0.24 0.00 -1.03 0.00 0.00 54.13 55.46 3hcs s LEU 159 Cb -0.29 -4.57 0.06 0.00 0.03 0.00 0.00 46.19 41.42 3hcs s LEU 159 CO 0.37 -2.14 0.57 -0.32 0.23 0.00 0.00 176.35 175.06 3hcs s MET 160 N -4.19 0.85 -0.08 1.70 -2.45 0.11 -4.80 119.30 110.44 3hcs s MET 160 Ca 0.69 0.37 -0.20 0.00 -1.25 0.00 0.00 55.69 55.31 3hcs s MET 160 Cb -0.24 0.40 -0.04 0.00 1.25 0.00 0.00 34.83 36.20 3hcs s MET 160 CO 0.47 -0.21 0.55 -0.51 1.05 0.00 0.00 175.02 176.36 3hcs s ASP 161 N -0.68 6.82 0.14 1.11 1.11 -1.26 0.16 116.67 124.07 3hcs s ASP 161 Ca -0.08 0.98 -0.31 0.00 0.18 0.00 0.00 52.55 53.32 3hcs s ASP 161 Cb -0.03 -2.33 -0.09 0.00 1.07 0.00 0.00 42.92 41.54 3hcs s ASP 161 CO 0.06 0.01 1.50 0.00 1.18 0.00 0.00 175.17 177.92 3hcs n PRO 163 N 3.99 0.04 -0.06 0.00 -0.04 -1.26 -0.64 135.00 137.03 3hcs n PRO 163 Ca 0.13 0.32 -0.07 0.00 -0.04 0.00 0.00 63.50 63.84 3hcs n PRO 163 Cb 0.40 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.28 3hcs n PRO 163 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3hcs n GLN 164 N -1.42 1.34 0.00 0.54 3.00 -1.26 -4.74 117.38 114.84 3hcs n GLN 164 Ca 0.02 0.04 0.01 0.00 -0.01 0.00 0.00 57.00 57.06 3hcs n GLN 164 Cb 0.07 -1.28 0.00 0.00 0.00 0.00 0.00 30.24 29.04 3hcs n GLN 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hcs n GLN 166 N -0.07 -0.31 -2.35 0.00 1.13 0.18 -4.95 117.38 111.03 3hcs n GLN 166 Ca 0.01 0.08 -0.34 0.00 -1.94 0.00 0.00 57.00 54.81 3hcs n GLN 166 Cb 0.04 -4.15 -0.02 0.00 0.11 0.00 0.00 30.24 26.22 3hcs n GLN 166 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3hcs s ARG 167 N -0.93 3.59 0.16 -1.09 0.52 -1.26 -4.43 118.95 115.51 3hcs s ARG 167 Ca 0.00 1.34 -0.21 0.00 -0.52 0.00 0.00 55.73 56.33 3hcs s ARG 167 Cb 0.00 -2.06 -0.08 0.00 0.52 0.00 0.00 34.95 33.33 3hcs s ARG 167 CO 0.00 -0.60 0.69 -1.25 0.02 0.00 0.00 175.30 174.16 3hcs s PRO 168 N -3.52 4.33 -0.02 3.54 0.04 -1.26 -0.24 135.00 137.88 3hcs s PRO 168 Ca 0.67 0.91 -0.16 0.00 0.04 0.00 0.00 61.00 62.46 3hcs s PRO 168 Cb -0.17 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.29 3hcs s PRO 168 CO 0.26 0.52 0.33 -0.06 0.04 0.00 0.00 177.00 178.10 3hcs s PHE 169 N -1.29 -0.21 0.40 0.56 0.08 0.12 -4.89 117.98 112.76 3hcs s PHE 169 Ca 0.37 0.31 -0.25 0.00 0.12 0.00 0.00 56.93 57.47 3hcs s PHE 169 Cb -0.20 0.11 -0.08 0.00 -0.57 0.00 0.00 43.02 42.28 3hcs s PHE 169 CO 0.22 -0.40 1.18 -0.65 -0.10 0.00 0.00 175.22 175.47 3hcs s GLN 170 N -1.32 4.06 0.43 0.44 -0.21 -1.26 0.06 119.66 121.86 3hcs s GLN 170 Ca -0.13 1.88 0.18 0.00 0.02 0.00 0.00 55.36 57.31 3hcs s GLN 170 Cb -0.05 -2.70 1.11 0.00 1.00 0.00 0.00 33.01 32.38 3hcs s GLN 170 CO 0.05 -0.33 1.87 -0.22 -2.12 0.00 0.00 175.29 174.54 3hcs h LYS 171 N 2.67 0.36 0.00 2.91 3.64 -0.97 -1.18 116.57 123.99 3hcs h LYS 171 Ca -0.49 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3hcs h LYS 171 Cb 1.24 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3hcs h LYS 171 CO 0.63 0.24 0.00 0.27 -2.27 0.00 0.00 179.45 178.31 3hcs h PHE 172 N 0.37 0.00 0.00 1.91 -0.00 -1.47 -2.72 116.94 115.02 3hcs h PHE 172 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.42 3hcs h PHE 172 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.10 3hcs h PHE 172 CO -0.00 0.00 -1.11 1.58 -0.00 0.00 0.00 178.31 178.78 3hcs n HIS 173 N -2.87 0.00 -0.21 6.09 -0.00 -0.47 -4.68 115.22 113.08 3hcs n HIS 173 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.67 3hcs n HIS 173 Cb 0.22 -0.11 0.01 0.00 -0.00 0.00 0.00 29.99 30.12 3hcs n HIS 173 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 3hcs h ILE 174 N 0.00 0.17 -0.85 3.57 6.09 -1.21 -1.02 117.51 124.26 3hcs h ILE 174 Ca 0.00 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.51 3hcs h ILE 174 Cb 0.53 0.17 -0.05 0.00 0.47 0.00 0.00 36.82 37.95 3hcs h ILE 174 CO 0.00 0.00 0.55 0.78 -3.07 0.00 0.00 178.15 176.41 3hcs h ASN 175 N -0.15 0.94 -0.45 2.19 -0.26 -1.83 0.80 115.58 116.81 3hcs h ASN 175 Ca 0.24 -0.02 -0.05 0.00 -0.56 0.00 0.00 56.30 55.92 3hcs h ASN 175 Cb 0.55 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.57 3hcs h ASN 175 CO -0.69 0.66 0.11 0.40 -1.06 0.00 0.00 177.43 176.85 3hcs h ILE 176 N 1.11 1.24 0.23 2.81 2.04 -1.70 -1.96 117.51 121.27 3hcs h ILE 176 Ca 0.32 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 3hcs h ILE 176 Cb -0.06 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3hcs h ILE 176 CO -0.09 0.29 -0.11 -0.74 0.00 0.00 0.00 178.15 177.50 3hcs h HIS 177 N 0.60 -0.29 -0.83 1.37 2.76 -0.30 -0.50 115.15 117.96 3hcs h HIS 177 Ca 0.14 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.36 3hcs h HIS 177 Cb 0.33 0.10 -0.06 0.00 1.55 0.00 0.00 27.41 29.33 3hcs h HIS 177 CO 0.02 -0.09 0.51 0.82 -1.30 0.00 0.00 177.93 177.89 3hcs h ILE 178 N -0.44 1.04 0.00 6.26 2.04 -0.86 0.25 117.51 125.80 3hcs h ILE 178 Ca -0.03 -0.32 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 3hcs h ILE 178 Cb 0.33 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3hcs h ILE 178 CO 0.05 0.17 -1.61 0.18 0.00 0.00 0.00 178.15 176.95 3hcs n LEU 179 N -4.64 0.48 0.00 1.44 4.77 -0.74 -4.53 117.00 113.79 3hcs n LEU 179 Ca 0.12 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3hcs n LEU 179 Cb 0.17 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3hcs n LEU 179 CO 0.31 0.06 -0.48 0.29 -1.33 0.00 0.00 177.39 176.23 3hcs n LYS 180 N -2.62 2.27 -0.03 3.23 5.02 -0.20 -4.91 118.16 120.92 3hcs n LYS 180 Ca -0.08 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.19 3hcs n LYS 180 Cb 0.72 -0.98 -0.06 0.00 -0.02 0.00 0.00 35.03 34.69 3hcs n LYS 180 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hcs n ASP 181 N -1.73 3.30 -4.67 4.39 8.00 -0.83 -5.03 116.55 119.99 3hcs n ASP 181 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 3hcs n ASP 181 Cb 0.27 0.86 -0.03 0.00 -0.02 0.00 0.00 41.12 42.20 3hcs n ASP 181 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hcs h PRO 183 N 10.09 0.00 -0.27 0.00 0.11 -1.95 -1.99 132.00 137.98 3hcs h PRO 183 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hcs h PRO 183 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hcs h PRO 183 CO 0.94 0.03 0.00 0.54 -0.21 0.00 0.00 178.00 179.30 3hcs n ARG 184 N -3.61 2.36 -1.79 1.05 5.12 -1.26 -1.18 116.66 117.36 3hcs n ARG 184 Ca -0.03 -2.04 -0.41 0.00 -1.93 0.00 0.00 57.85 53.44 3hcs n ARG 184 Cb 0.13 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 29.92 3hcs n ARG 184 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 3hcs s ARG 185 N -1.66 4.12 0.03 5.56 1.70 -0.75 -4.57 118.95 123.39 3hcs s ARG 185 Ca 0.36 2.57 -0.30 0.00 -0.47 0.00 0.00 55.73 57.89 3hcs s ARG 185 Cb 0.22 -3.01 -0.04 0.00 -0.57 0.00 0.00 34.95 31.54 3hcs s ARG 185 CO 0.31 -0.60 1.03 -0.65 -1.08 0.00 0.00 175.30 174.31 3hcs s GLN 186 N -0.92 4.54 0.06 3.89 -1.52 -1.26 -0.87 119.66 123.59 3hcs s GLN 186 Ca 0.60 1.51 0.03 0.00 -1.95 0.00 0.00 55.36 55.56 3hcs s GLN 186 Cb -0.47 -3.42 -0.03 0.00 -0.22 0.00 0.00 33.01 28.87 3hcs s GLN 186 CO 0.52 -0.07 -0.10 0.14 -0.25 0.00 0.00 175.29 175.53 3hcs s VAL 187 N 0.88 0.79 0.02 1.09 -7.23 0.22 -4.93 120.40 111.24 3hcs s VAL 187 Ca 0.53 -1.27 -0.02 0.00 -1.81 0.00 0.00 61.98 59.41 3hcs s VAL 187 Cb -0.23 -0.91 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 3hcs s VAL 187 CO 0.29 -0.38 0.20 -0.44 -0.31 0.00 0.00 175.10 174.45 3hcs s SER 188 N -1.82 6.37 -0.01 4.85 0.01 -1.26 -1.02 113.70 120.82 3hcs s SER 188 Ca -0.04 0.33 -0.28 0.00 1.31 0.00 0.00 55.95 57.27 3hcs s SER 188 Cb -0.08 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.12 3hcs s SER 188 CO 0.01 0.23 0.88 0.00 0.41 0.00 0.00 173.24 174.76 3hcs h ASP 190 N 6.58 0.00 0.00 0.00 3.32 -1.97 -1.24 116.42 123.11 3hcs h ASP 190 Ca -0.41 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.28 3hcs h ASP 190 Cb 1.21 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 3hcs h ASP 190 CO 0.74 0.00 -2.05 0.59 -1.72 0.00 0.00 179.24 176.81 3hcs n ASN 191 N -3.00 1.93 -0.47 6.45 3.02 -1.26 -4.73 115.26 117.20 3hcs n ASN 191 Ca -0.02 0.37 0.08 0.00 -0.03 0.00 0.00 54.58 54.97 3hcs n ASN 191 Cb 0.10 -0.85 0.03 0.00 -0.61 0.00 0.00 39.78 38.45 3hcs n ASN 191 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hcs n ALA 193 N 0.32 -0.06 -1.77 0.00 0.00 -0.47 -4.97 120.51 113.56 3hcs n ALA 193 Ca 0.08 0.06 -0.40 0.00 0.00 0.00 0.00 53.44 53.18 3hcs n ALA 193 Cb 0.35 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 3hcs n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hcs s ALA 194 N -1.81 3.33 -0.15 0.00 0.00 -1.26 -4.57 121.76 117.30 3hcs s ALA 194 Ca 0.00 1.06 -0.08 0.00 0.00 0.00 0.00 51.96 52.94 3hcs s ALA 194 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 3hcs s ALA 194 CO 0.00 -0.50 0.13 0.45 0.00 0.00 0.00 175.76 175.84 3hcs s SER 195 N -0.84 6.29 0.23 0.00 0.15 -1.26 -0.74 113.70 117.52 3hcs s SER 195 Ca 0.51 0.37 -0.12 0.00 0.70 0.00 0.00 55.95 57.41 3hcs s SER 195 Cb -0.34 -2.07 -0.00 0.00 -1.71 0.00 0.00 66.02 61.90 3hcs s SER 195 CO 0.44 0.32 0.45 0.00 1.20 0.00 0.00 173.24 175.65 3hcs s MET 196 N -0.47 1.48 0.25 5.44 0.23 -0.19 -4.95 119.30 121.09 3hcs s MET 196 Ca 0.12 -1.22 -0.30 0.00 -1.03 0.00 0.00 55.69 53.27 3hcs s MET 196 Cb -0.12 0.46 -0.09 0.00 -1.53 0.00 0.00 34.83 33.55 3hcs s MET 196 CO 0.02 -0.60 1.17 0.00 -2.03 0.00 0.00 175.02 173.57 3hcs s ALA 197 N -4.00 3.43 0.31 3.16 0.00 -1.26 -0.61 121.76 122.80 3hcs s ALA 197 Ca 0.21 0.97 0.07 0.00 0.00 0.00 0.00 51.96 53.21 3hcs s ALA 197 Cb -0.00 -3.38 0.78 0.00 0.00 0.00 0.00 23.12 20.52 3hcs s ALA 197 CO 0.07 -0.31 1.77 0.35 0.00 0.00 0.00 175.76 177.64 3hcs h PHE 198 N 4.34 1.03 0.00 0.00 3.57 -0.86 0.14 116.94 125.16 3hcs h PHE 198 Ca -0.46 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3hcs h PHE 198 Cb 1.21 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.65 3hcs h PHE 198 CO 0.60 0.21 0.00 1.05 -2.23 0.00 0.00 178.31 177.94 3hcs h GLU 199 N 0.72 0.00 -0.13 1.11 4.11 -1.45 -2.37 114.58 116.57 3hcs h GLU 199 Ca 0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.01 3hcs h GLU 199 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3hcs h GLU 199 CO -0.38 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.45 3hcs n ASP 200 N -2.83 2.87 -0.03 3.06 8.00 0.46 -4.51 116.55 123.57 3hcs n ASP 200 Ca -0.00 -1.92 -0.11 0.00 0.71 0.00 0.00 54.79 53.46 3hcs n ASP 200 Cb 0.19 -0.07 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 3hcs n ASP 200 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 3hcs h LYS 201 N 4.23 0.20 -0.10 -1.24 2.10 -1.27 -2.18 116.57 118.31 3hcs h LYS 201 Ca 0.00 -0.03 0.04 0.00 -2.00 0.00 0.00 60.65 58.67 3hcs h LYS 201 Cb 0.91 -0.04 -0.06 0.00 -0.90 0.00 0.00 32.23 32.14 3hcs h LYS 201 CO 0.00 0.23 -0.31 1.49 -2.00 0.00 0.00 179.45 178.86 3hcs h GLU 202 N 0.12 -0.38 -0.83 0.07 4.81 -1.79 -0.41 114.58 116.17 3hcs h GLU 202 Ca 0.05 0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.45 3hcs h GLU 202 Cb 0.09 0.09 -0.10 0.00 0.63 0.00 0.00 28.75 29.46 3hcs h GLU 202 CO -0.01 -0.26 0.40 0.82 -0.73 0.00 0.00 179.01 179.24 3hcs h ILE 203 N -0.40 0.70 -0.36 2.32 2.04 -1.85 -1.92 117.51 118.05 3hcs h ILE 203 Ca 0.09 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 3hcs h ILE 203 Cb 0.53 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3hcs h ILE 203 CO -0.32 0.10 0.11 -0.74 0.00 0.00 0.00 178.15 177.30 3hcs h HIS 204 N 0.57 0.52 -0.31 1.37 2.76 -0.43 -2.46 115.15 117.15 3hcs h HIS 204 Ca 0.45 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.62 3hcs h HIS 204 Cb 0.66 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.43 3hcs h HIS 204 CO -0.11 0.44 0.14 -0.44 -1.30 0.00 0.00 177.93 176.66 3hcs h ASP 205 N 0.51 0.20 -0.44 3.26 3.32 -0.49 -2.46 116.42 120.32 3hcs h ASP 205 Ca 0.12 0.02 -0.28 0.00 0.02 0.00 0.00 57.03 56.92 3hcs h ASP 205 Cb 0.17 -0.01 -0.11 0.00 0.22 0.00 0.00 39.33 39.59 3hcs h ASP 205 CO -0.01 0.15 0.16 0.00 -1.72 0.00 0.00 179.24 177.82 3hcs n GLN 206 N -4.97 1.84 -0.36 3.56 10.64 -0.93 -3.75 117.38 123.41 3hcs n GLN 206 Ca -0.00 -1.34 -0.00 0.00 -1.83 0.00 0.00 57.00 53.82 3hcs n GLN 206 Cb 0.09 -1.71 -0.00 0.00 -0.86 0.00 0.00 30.24 27.75 3hcs n GLN 206 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3hcs n ASN 207 N 1.17 -0.05 -3.05 2.61 3.02 -0.93 -5.03 115.26 113.00 3hcs n ASN 207 Ca 0.32 -0.70 -0.05 0.00 -0.03 0.00 0.00 54.58 54.12 3hcs n ASN 207 Cb 0.63 0.01 0.05 0.00 -0.61 0.00 0.00 39.78 39.86 3hcs n ASN 207 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hcs n PRO 209 N -2.24 -0.06 0.00 0.00 -0.02 -1.26 -5.15 135.00 126.27 3hcs n PRO 209 Ca 0.02 0.08 0.13 0.00 -2.02 0.00 0.00 63.50 61.72 3hcs n PRO 209 Cb 0.09 -0.08 0.41 0.00 -0.02 0.00 0.00 33.50 33.90 3hcs n PRO 209 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76