#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nho n VAL 2 N 0.00 0.00 -3.02 3.17 3.14 -1.26 -4.76 118.33 115.60 1nho n VAL 2 Ca 0.00 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 1nho n VAL 2 Cb 0.00 -0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 1nho n VAL 2 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1nho s VAL 3 N 0.00 4.73 -0.27 1.55 1.01 -1.25 -4.85 120.40 121.32 1nho s VAL 3 Ca 0.00 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.39 1nho s VAL 3 Cb 0.00 -4.25 0.07 0.00 0.00 0.00 0.00 36.38 32.20 1nho s VAL 3 CO 0.00 -0.62 -0.03 0.20 0.00 0.00 0.00 175.10 174.65 1nho s ASN 4 N 2.04 4.17 -0.03 3.32 -0.87 -1.21 -0.10 114.94 122.26 1nho s ASN 4 Ca 0.27 -1.46 0.07 0.00 -1.57 0.00 0.00 52.86 50.17 1nho s ASN 4 Cb -0.13 -1.31 -0.02 0.00 -0.02 0.00 0.00 41.25 39.77 1nho s ASN 4 CO 0.20 -0.27 -0.24 -0.63 -2.57 0.00 0.00 177.10 173.59 1nho s ILE 5 N 1.26 1.93 -0.11 0.60 -1.09 -1.19 -4.10 121.20 118.51 1nho s ILE 5 Ca -0.02 -1.03 -0.01 0.00 -2.23 0.00 0.00 60.65 57.37 1nho s ILE 5 Cb -0.19 -1.62 0.03 0.00 -1.58 0.00 0.00 42.46 39.10 1nho s ILE 5 CO -0.08 0.54 -0.06 -0.70 -1.23 0.00 0.00 174.94 173.41 1nho s GLU 6 N -0.40 1.35 -0.35 2.79 2.12 -1.03 0.39 118.70 123.56 1nho s GLU 6 Ca 0.04 -0.20 -0.05 0.00 0.36 0.00 0.00 54.97 55.13 1nho s GLU 6 Cb -0.11 -1.49 0.06 0.00 0.26 0.00 0.00 34.13 32.85 1nho s GLU 6 CO 0.01 -0.28 0.11 0.14 -0.54 0.00 0.00 175.26 174.70 1nho s VAL 7 N 1.76 3.50 -0.63 3.70 -7.23 -0.68 -0.35 120.40 120.47 1nho s VAL 7 Ca 0.05 -1.43 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 1nho s VAL 7 Cb -0.13 -3.09 0.16 0.00 0.56 0.00 0.00 36.38 33.88 1nho s VAL 7 CO -0.08 -0.30 0.41 0.12 -0.31 0.00 0.00 175.10 174.95 1nho s PHE 8 N 1.31 3.39 0.00 2.82 5.36 0.16 0.94 117.98 131.97 1nho s PHE 8 Ca -0.00 -3.06 0.00 0.00 -0.96 0.00 0.00 56.93 52.91 1nho s PHE 8 Cb -0.21 -2.96 0.00 0.00 -0.34 0.00 0.00 43.02 39.51 1nho s PHE 8 CO 0.00 -0.73 0.00 2.41 -1.46 0.00 0.00 175.22 175.44 1nho n THR 9 N 2.92 0.00 0.00 0.12 -1.04 -1.17 0.34 114.28 115.44 1nho n THR 9 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1nho n THR 9 Cb 0.35 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 1nho n THR 9 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1nho n SER 10 N -2.46 0.00 0.06 8.00 2.88 -1.26 -2.82 113.62 118.02 1nho n SER 10 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1nho n SER 10 Cb 0.25 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.65 1nho n SER 10 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1nho h PRO 11 N 0.00 0.00 0.00 -1.46 0.13 -1.89 -3.29 132.00 125.50 1nho h PRO 11 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1nho h PRO 11 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1nho h PRO 11 CO 0.00 0.44 0.00 2.41 -0.23 0.00 0.00 178.00 180.62 1nho n THR 12 N -3.05 0.00 -3.46 1.56 -1.04 -1.26 -4.83 114.28 102.20 1nho n THR 12 Ca -0.06 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.93 1nho n THR 12 Cb 0.84 -0.13 -0.00 0.00 -1.82 0.00 0.00 70.33 69.21 1nho n THR 12 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nho s PRO 14 N -2.08 3.42 0.00 0.00 0.04 -1.26 -4.82 135.00 130.30 1nho s PRO 14 Ca 0.03 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.01 1nho s PRO 14 Cb -0.00 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1nho s PRO 14 CO 0.02 -1.43 0.36 0.66 0.04 0.00 0.00 177.00 176.65 1nho n TYR 15 N 7.51 0.00 -2.70 0.56 4.01 -1.26 -4.67 117.16 120.62 1nho n TYR 15 Ca 0.04 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.72 1nho n TYR 15 Cb 0.48 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.62 1nho n TYR 15 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nho n PRO 17 N -0.74 0.63 -0.00 0.00 -0.04 -1.26 -3.71 135.00 129.88 1nho n PRO 17 Ca -0.04 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1nho n PRO 17 Cb 0.85 -1.26 -0.00 0.00 -0.04 0.00 0.00 33.50 33.05 1nho n PRO 17 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1nho n MET 18 N 0.39 0.01 0.33 0.54 1.56 -1.26 -4.31 117.12 114.39 1nho n MET 18 Ca 0.00 0.00 0.17 0.00 -0.27 0.00 0.00 57.70 57.61 1nho n MET 18 Cb 0.22 -0.27 0.92 0.00 2.15 0.00 0.00 33.22 36.25 1nho n MET 18 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1nho h ALA 19 N -0.97 1.26 -0.29 -5.12 0.00 -1.81 0.20 119.26 112.53 1nho h ALA 19 Ca 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1nho h ALA 19 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1nho h ALA 19 CO 0.00 -0.25 -0.53 -0.84 0.00 0.00 0.00 179.25 177.62 1nho h ILE 20 N 0.00 1.28 -0.83 0.00 3.07 -1.79 -2.61 117.51 116.63 1nho h ILE 20 Ca 0.00 -1.72 0.16 0.00 1.55 0.00 0.00 64.86 64.85 1nho h ILE 20 Cb 0.50 1.64 -0.06 0.00 -0.27 0.00 0.00 36.82 38.63 1nho h ILE 20 CO -0.00 0.56 0.55 -0.08 -1.05 0.00 0.00 178.15 178.13 1nho h GLU 21 N 0.65 0.51 -0.24 0.16 4.57 -0.79 1.03 114.58 120.47 1nho h GLU 21 Ca 0.01 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.09 1nho h GLU 21 Cb 1.14 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 1nho h GLU 21 CO 0.12 0.33 -0.15 0.28 -1.18 0.00 0.00 179.01 178.41 1nho h VAL 22 N 0.52 1.31 -0.29 0.32 2.07 -1.48 0.32 116.25 119.02 1nho h VAL 22 Ca 0.42 -1.26 -0.08 0.00 0.82 0.00 0.00 66.70 66.60 1nho h VAL 22 Cb 0.86 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1nho h VAL 22 CO -0.16 0.39 -0.14 0.58 0.02 0.00 0.00 177.57 178.25 1nho h VAL 23 N 0.23 1.24 -0.36 2.57 2.07 -0.47 -2.40 116.25 119.13 1nho h VAL 23 Ca 0.05 -1.05 -0.15 0.00 0.82 0.00 0.00 66.70 66.36 1nho h VAL 23 Cb 0.67 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1nho h VAL 23 CO 0.04 0.34 -0.38 -0.78 0.02 0.00 0.00 177.57 176.82 1nho h ASP 24 N 0.45 0.90 -0.38 0.57 1.82 0.12 0.16 116.42 120.06 1nho h ASP 24 Ca 0.08 -0.40 0.01 0.00 -0.39 0.00 0.00 57.03 56.33 1nho h ASP 24 Cb 0.52 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.26 1nho h ASP 24 CO 0.03 1.17 0.25 -0.33 -1.61 0.00 0.00 179.24 178.75 1nho h GLU 25 N 0.69 0.49 0.11 0.28 4.39 -0.53 0.40 114.58 120.40 1nho h GLU 25 Ca 0.06 -0.03 -0.29 0.00 0.34 0.00 0.00 59.36 59.44 1nho h GLU 25 Cb 0.94 -0.11 0.02 0.00 -0.10 0.00 0.00 28.75 29.51 1nho h GLU 25 CO 0.09 0.32 -1.22 0.00 -1.16 0.00 0.00 179.01 177.05 1nho h ALA 26 N 1.15 0.04 0.00 3.43 0.00 -1.38 -3.00 119.26 119.50 1nho h ALA 26 Ca 0.14 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1nho h ALA 26 Cb -0.04 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1nho h ALA 26 CO -0.04 0.72 0.00 0.87 0.00 0.00 0.00 179.25 180.80 1nho h LYS 27 N 0.26 0.00 -0.11 0.00 6.56 -0.55 -2.62 116.57 120.12 1nho h LYS 27 Ca -0.17 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.32 1nho h LYS 27 Cb 1.89 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.55 1nho h LYS 27 CO 0.23 0.00 -0.33 0.87 -2.06 0.00 0.00 179.45 178.16 1nho h LYS 28 N 0.00 0.41 -1.08 3.15 6.56 -0.20 1.69 116.57 127.10 1nho h LYS 28 Ca 0.00 -0.30 0.30 0.00 -1.06 0.00 0.00 60.65 59.59 1nho h LYS 28 Cb 0.62 0.05 -0.11 0.00 -0.57 0.00 0.00 32.23 32.22 1nho h LYS 28 CO 0.00 0.92 0.68 1.05 -2.06 0.00 0.00 179.45 180.04 1nho h GLU 29 N -0.03 0.35 0.00 3.15 -0.00 -1.32 -1.64 114.58 115.10 1nho h GLU 29 Ca -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.33 1nho h GLU 29 Cb 0.95 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.63 1nho h GLU 29 CO 0.07 0.23 -0.38 0.34 -0.00 0.00 0.00 179.01 179.27 1nho n PHE 30 N -4.72 0.13 -2.77 2.06 7.35 -1.13 -4.69 117.46 113.70 1nho n PHE 30 Ca 0.28 0.06 -0.43 0.00 -0.76 0.00 0.00 57.45 56.60 1nho n PHE 30 Cb 0.97 -0.30 -0.01 0.00 0.35 0.00 0.00 39.48 40.49 1nho n PHE 30 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1nho s GLY 31 N -3.67 1.85 0.54 7.13 0.00 0.57 -4.83 107.32 108.91 1nho s GLY 31 Ca -0.11 -2.87 0.31 0.00 0.00 0.00 0.00 44.72 42.05 1nho s GLY 31 CO 0.16 2.34 1.25 1.34 0.00 0.00 0.00 173.10 178.20 1nho n ASP 32 N 7.24 0.00 -4.83 1.64 2.03 -0.63 -4.10 116.55 117.91 1nho n ASP 32 Ca 0.36 0.76 -0.33 0.00 0.52 0.00 0.00 54.79 56.10 1nho n ASP 32 Cb 0.47 -0.30 -0.06 0.00 -0.72 0.00 0.00 41.12 40.51 1nho n ASP 32 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1nho s LYS 33 N -4.37 4.14 0.11 -0.67 1.02 -1.26 -4.89 119.74 113.82 1nho s LYS 33 Ca -0.03 1.06 0.05 0.00 0.02 0.00 0.00 55.97 57.07 1nho s LYS 33 Cb 0.16 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 1nho s LYS 33 CO 0.55 -0.10 -0.13 0.42 -0.92 0.00 0.00 175.35 175.16 1nho s ILE 34 N -2.32 1.23 -0.47 2.17 1.09 -1.26 -3.86 121.20 117.78 1nho s ILE 34 Ca 0.61 -1.64 0.06 0.00 -1.10 0.00 0.00 60.65 58.58 1nho s ILE 34 Cb -0.09 -1.43 0.19 0.00 -1.06 0.00 0.00 42.46 40.07 1nho s ILE 34 CO 0.19 -0.41 0.57 -0.67 -0.10 0.00 0.00 174.94 174.52 1nho n ASP 35 N 0.66 -2.12 -4.69 3.58 -0.08 0.86 -4.82 116.55 109.93 1nho n ASP 35 Ca -0.16 -2.71 -0.37 0.00 -1.51 0.00 0.00 54.79 50.04 1nho n ASP 35 Cb 0.57 0.75 -0.08 0.00 2.34 0.00 0.00 41.12 44.70 1nho n ASP 35 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1nho s VAL 36 N 0.46 5.30 -0.00 5.18 1.01 -1.19 -3.15 120.40 128.01 1nho s VAL 36 Ca 0.31 0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.78 1nho s VAL 36 Cb 0.03 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1nho s VAL 36 CO -0.12 0.34 -0.01 -1.61 0.00 0.00 0.00 175.10 173.69 1nho s GLU 37 N 0.88 2.74 -0.14 2.72 2.02 1.25 -4.79 118.70 123.37 1nho s GLU 37 Ca 0.14 -0.63 -0.04 0.00 0.02 0.00 0.00 54.97 54.46 1nho s GLU 37 Cb -0.13 -2.64 0.05 0.00 0.10 0.00 0.00 34.13 31.51 1nho s GLU 37 CO 0.05 0.62 0.08 -1.59 0.02 0.00 0.00 175.26 174.44 1nho s LYS 38 N -1.52 0.04 0.35 1.61 0.00 -1.26 -1.68 119.74 117.27 1nho s LYS 38 Ca 0.19 0.03 0.08 0.00 0.00 0.00 0.00 55.97 56.27 1nho s LYS 38 Cb -0.11 -1.52 -0.04 0.00 0.00 0.00 0.00 37.83 36.16 1nho s LYS 38 CO 0.10 -0.59 0.13 0.42 0.00 0.00 0.00 175.35 175.41 1nho s ILE 39 N 2.14 2.91 0.32 3.79 1.01 0.27 -4.82 121.20 126.82 1nho s ILE 39 Ca 0.03 -1.72 0.03 0.00 0.00 0.00 0.00 60.65 58.98 1nho s ILE 39 Cb -0.15 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 1nho s ILE 39 CO -0.08 -0.17 0.48 -0.62 0.00 0.00 0.00 174.94 174.56 1nho s ASP 40 N -3.84 6.20 0.17 3.58 2.15 -1.26 -3.06 116.67 120.60 1nho s ASP 40 Ca 0.38 0.18 -0.07 0.00 0.43 0.00 0.00 52.55 53.47 1nho s ASP 40 Cb -0.02 -1.78 0.05 0.00 -0.30 0.00 0.00 42.92 40.88 1nho s ASP 40 CO 0.22 -0.28 1.51 -0.29 -0.17 0.00 0.00 175.17 176.16 1nho h ILE 41 N 0.89 1.29 -0.00 4.11 2.10 -1.74 0.24 117.51 124.40 1nho h ILE 41 Ca -0.50 -1.62 0.00 0.00 1.08 0.00 0.00 64.86 63.83 1nho h ILE 41 Cb 1.23 1.51 0.00 0.00 -1.09 0.00 0.00 36.82 38.48 1nho h ILE 41 CO 0.59 0.53 -0.02 1.15 -1.08 0.00 0.00 178.15 179.32 1nho n MET 42 N -4.03 0.60 -0.05 2.19 0.00 -1.26 -3.24 117.12 111.34 1nho n MET 42 Ca -0.02 -0.04 -0.09 0.00 0.00 0.00 0.00 57.70 57.54 1nho n MET 42 Cb 0.56 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 32.23 1nho n MET 42 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 175.97 177.52 1nho n VAL 43 N -1.16 0.58 -2.30 3.17 3.14 -1.08 -4.71 118.33 115.97 1nho n VAL 43 Ca 0.16 -0.19 -0.36 0.00 -2.96 0.00 0.00 64.34 61.00 1nho n VAL 43 Cb 0.22 -1.23 0.02 0.00 -1.06 0.00 0.00 33.84 31.78 1nho n VAL 43 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1nho n ASP 44 N -3.12 6.51 0.00 6.55 2.03 0.84 -4.73 116.55 124.63 1nho n ASP 44 Ca -0.19 -3.77 0.05 0.00 0.52 0.00 0.00 54.79 51.40 1nho n ASP 44 Cb 0.67 -0.89 0.30 0.00 -0.72 0.00 0.00 41.12 40.48 1nho n ASP 44 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1nho n ARG 45 N -0.40 0.31 0.29 -0.67 0.00 -1.20 -2.34 116.66 112.65 1nho n ARG 45 Ca 0.47 0.01 0.18 0.00 -0.00 0.00 0.00 57.85 58.51 1nho n ARG 45 Cb 0.36 -1.50 0.92 0.00 -0.00 0.00 0.00 32.46 32.23 1nho n ARG 45 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 1nho h GLU 46 N 0.00 0.00 -0.16 2.89 4.11 -1.89 -2.76 114.58 116.77 1nho h GLU 46 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.45 1nho h GLU 46 Cb 0.01 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1nho h GLU 46 CO 0.00 0.00 -0.35 -0.22 0.07 0.00 0.00 179.01 178.51 1nho h LYS 47 N 0.00 -0.31 0.00 1.06 1.63 -1.87 0.72 116.57 117.80 1nho h LYS 47 Ca 0.03 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1nho h LYS 47 Cb 0.50 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1nho h LYS 47 CO -0.00 -0.21 0.06 0.00 -3.45 0.00 0.00 179.45 175.85 1nho n ALA 48 N -2.89 0.89 -0.10 5.00 0.00 -1.04 -3.28 120.51 119.09 1nho n ALA 48 Ca -0.03 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.51 1nho n ALA 48 Cb 0.23 -0.91 0.16 0.00 0.00 0.00 0.00 19.45 18.94 1nho n ALA 48 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1nho n ILE 49 N -1.50 -0.13 -0.04 0.00 -5.35 0.25 0.69 119.36 113.28 1nho n ILE 49 Ca -0.00 0.65 -0.08 0.00 -0.27 0.00 0.00 62.75 63.05 1nho n ILE 49 Cb 0.06 -1.03 -0.02 0.00 -1.74 0.00 0.00 39.64 36.91 1nho n ILE 49 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1nho h GLU 50 N 0.00 -0.24 0.00 6.28 3.07 -1.76 -3.37 114.58 118.57 1nho h GLU 50 Ca 0.25 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1nho h GLU 50 Cb 0.63 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1nho h GLU 50 CO -0.26 -0.16 -0.79 2.48 -1.40 0.00 0.00 179.01 178.88 1nho n TYR 51 N -5.37 0.00 -0.13 4.33 4.11 3.26 -4.97 117.16 118.40 1nho n TYR 51 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.89 1nho n TYR 51 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.62 1nho n TYR 51 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1nho n GLY 52 N 2.48 0.00 0.00 -7.48 0.00 0.74 -4.61 105.19 96.32 1nho n GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nho n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nho n LEU 53 N 0.00 1.70 -3.74 0.99 4.77 -1.26 -4.37 117.00 115.09 1nho n LEU 53 Ca 0.00 0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.81 1nho n LEU 53 Cb 0.05 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1nho n LEU 53 CO 0.00 -0.14 1.66 0.23 -1.33 0.00 0.00 177.39 177.80 1nho n MET 54 N -0.93 4.71 -3.78 3.23 2.81 -1.26 -4.97 117.12 116.92 1nho n MET 54 Ca 0.00 -4.19 -0.37 0.00 -1.81 0.00 0.00 57.70 51.34 1nho n MET 54 Cb 0.00 -2.59 -0.13 0.00 -0.71 0.00 0.00 33.22 29.79 1nho n MET 54 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nho s ALA 55 N -2.45 3.06 0.26 3.04 0.00 -1.26 -4.85 121.76 119.56 1nho s ALA 55 Ca 0.40 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1nho s ALA 55 Cb 0.14 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 21.21 1nho s ALA 55 CO -0.03 -0.66 0.00 0.28 0.00 0.00 0.00 175.76 175.35 1nho n VAL 56 N 4.88 0.00 -3.84 0.00 0.31 -1.26 -4.99 118.33 113.43 1nho n VAL 56 Ca -0.16 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.81 1nho n VAL 56 Cb 0.50 -0.19 -0.13 0.00 -0.91 0.00 0.00 33.84 33.10 1nho n VAL 56 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1nho s PRO 57 N -1.68 3.12 0.31 5.55 0.04 -1.26 -4.34 135.00 136.74 1nho s PRO 57 Ca 0.00 -0.82 -0.19 0.00 0.04 0.00 0.00 61.00 60.04 1nho s PRO 57 Cb 0.00 -3.20 0.05 0.00 0.04 0.00 0.00 34.50 31.39 1nho s PRO 57 CO 0.00 -0.37 0.83 0.00 0.04 0.00 0.00 177.00 177.51 1nho s ALA 58 N 1.46 -1.06 0.02 8.56 0.00 0.15 0.87 121.76 131.75 1nho s ALA 58 Ca 0.03 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1nho s ALA 58 Cb -0.16 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.66 1nho s ALA 58 CO -0.00 -1.02 -0.00 0.42 0.00 0.00 0.00 175.76 175.16 1nho s ILE 59 N -2.70 0.11 0.36 0.00 1.09 -1.00 0.41 121.20 119.46 1nho s ILE 59 Ca 0.15 -0.88 -0.07 0.00 -1.10 0.00 0.00 60.65 58.76 1nho s ILE 59 Cb -0.05 -0.29 -0.05 0.00 -1.06 0.00 0.00 42.46 41.01 1nho s ILE 59 CO 0.09 -0.48 0.66 0.00 -0.10 0.00 0.00 174.94 175.11 1nho s ALA 60 N -1.46 3.50 -0.71 9.38 0.00 0.52 -0.28 121.76 132.71 1nho s ALA 60 Ca -0.16 -0.44 -0.13 0.00 0.00 0.00 0.00 51.96 51.24 1nho s ALA 60 Cb -0.10 -2.47 0.18 0.00 0.00 0.00 0.00 23.12 20.73 1nho s ALA 60 CO -0.01 0.07 0.64 0.42 0.00 0.00 0.00 175.76 176.88 1nho s ILE 61 N -2.28 5.20 -0.75 0.00 1.01 0.93 -3.68 121.20 121.63 1nho s ILE 61 Ca 0.47 -2.25 -0.18 0.00 0.00 0.00 0.00 60.65 58.68 1nho s ILE 61 Cb -0.10 -4.27 -0.17 0.00 0.01 0.00 0.00 42.46 37.93 1nho s ILE 61 CO 0.32 -0.96 1.92 0.59 0.00 0.00 0.00 174.94 176.82 1nho n ASN 62 N 4.28 0.30 0.00 3.58 5.03 -1.26 0.72 115.26 127.91 1nho n ASN 62 Ca 0.05 -1.79 0.00 0.00 0.87 0.00 0.00 54.58 53.71 1nho n ASN 62 Cb 0.44 -1.31 0.00 0.00 -1.02 0.00 0.00 39.78 37.89 1nho n ASN 62 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1nho n GLY 63 N 5.81 1.58 1.40 7.41 0.00 -1.26 -3.97 105.19 116.16 1nho n GLY 63 Ca 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1nho n GLY 63 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nho n VAL 64 N 0.00 0.73 0.00 1.61 0.24 0.22 -4.70 118.33 116.43 1nho n VAL 64 Ca 0.00 0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.54 1nho n VAL 64 Cb 0.00 -1.18 0.00 0.00 -1.47 0.00 0.00 33.84 31.19 1nho n VAL 64 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1nho n VAL 65 N -3.45 0.00 -3.59 3.34 0.31 -0.84 -4.92 118.33 109.17 1nho n VAL 65 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1nho n VAL 65 Cb 0.02 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.93 1nho n VAL 65 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1nho s ARG 66 N 1.20 0.96 0.30 5.55 3.52 -1.26 0.31 118.95 129.53 1nho s ARG 66 Ca 0.00 -0.43 -0.04 0.00 -0.13 0.00 0.00 55.73 55.13 1nho s ARG 66 Cb 0.00 0.39 -0.01 0.00 -1.56 0.00 0.00 34.95 33.77 1nho s ARG 66 CO 0.00 -0.43 0.40 -0.59 -0.81 0.00 0.00 175.30 173.87 1nho s PHE 67 N -3.19 0.97 -0.38 5.12 -0.71 0.62 -4.72 117.98 115.70 1nho s PHE 67 Ca 0.08 -1.20 -0.25 0.00 -1.04 0.00 0.00 56.93 54.52 1nho s PHE 67 Cb -0.01 -0.15 0.01 0.00 -1.21 0.00 0.00 43.02 41.67 1nho s PHE 67 CO -0.05 -1.00 0.87 0.08 -1.34 0.00 0.00 175.22 173.77 1nho s VAL 68 N -3.49 4.64 -0.28 -2.49 1.01 -1.26 -2.38 120.40 116.15 1nho s VAL 68 Ca 0.31 1.01 -0.16 0.00 0.00 0.00 0.00 61.98 63.14 1nho s VAL 68 Cb 0.01 -4.29 0.09 0.00 0.00 0.00 0.00 36.38 32.19 1nho s VAL 68 CO 0.17 -0.53 0.75 -0.83 0.00 0.00 0.00 175.10 174.67 1nho s GLY 69 N 1.90 -0.50 0.00 4.51 0.00 0.25 -4.87 107.32 108.61 1nho s GLY 69 Ca 0.35 2.59 0.00 0.00 0.00 0.00 0.00 44.72 47.66 1nho s GLY 69 CO 0.19 2.45 0.00 0.00 0.00 0.00 0.00 173.10 175.74 1nho n ALA 70 N 4.19 0.00 0.55 3.20 0.00 -1.20 0.10 120.51 127.36 1nho n ALA 70 Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 1nho n ALA 70 Cb 0.59 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.10 1nho n ALA 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1nho n PRO 71 N -1.00 1.59 -2.65 0.00 -0.04 -1.26 -4.42 135.00 127.23 1nho n PRO 71 Ca 0.00 -0.67 -0.41 0.00 -0.04 0.00 0.00 63.50 62.38 1nho n PRO 71 Cb 0.00 -1.48 0.02 0.00 -0.04 0.00 0.00 33.50 32.00 1nho n PRO 71 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1nho n SER 72 N 0.14 7.27 0.18 3.54 3.41 -1.26 -4.70 113.62 122.19 1nho n SER 72 Ca 0.09 -3.69 0.02 0.00 -0.26 0.00 0.00 58.87 55.04 1nho n SER 72 Cb 0.59 -1.15 0.33 0.00 -0.26 0.00 0.00 64.21 63.73 1nho n SER 72 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1nho h ARG 73 N 4.16 0.00 -0.87 4.33 -0.00 -1.89 -3.05 114.38 117.05 1nho h ARG 73 Ca 0.53 0.00 0.21 0.00 -0.50 0.00 0.00 59.98 60.22 1nho h ARG 73 Cb 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 29.97 30.17 1nho h ARG 73 CO 1.17 0.41 0.33 1.49 0.00 0.00 0.00 179.97 183.37 1nho h GLU 74 N 0.00 0.33 -1.30 0.04 4.22 -1.86 0.68 114.58 116.69 1nho h GLU 74 Ca -0.00 -0.02 0.40 0.00 0.08 0.00 0.00 59.36 59.81 1nho h GLU 74 Cb 0.76 -0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.83 1nho h GLU 74 CO 0.05 0.22 0.86 0.93 -2.18 0.00 0.00 179.01 178.90 1nho h GLU 75 N 0.34 0.14 -0.52 1.92 4.39 -1.93 1.79 114.58 120.71 1nho h GLU 75 Ca 0.54 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.18 1nho h GLU 75 Cb 1.02 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 1nho h GLU 75 CO -0.55 0.09 0.15 -0.07 -1.16 0.00 0.00 179.01 177.47 1nho h LEU 76 N 0.14 0.77 -1.47 1.33 4.07 0.17 0.30 115.31 120.61 1nho h LEU 76 Ca 0.74 -0.22 0.08 0.00 0.08 0.00 0.00 57.88 58.57 1nho h LEU 76 Cb 2.39 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 43.89 1nho h LEU 76 CO -0.29 0.78 0.45 0.15 -1.08 0.00 0.00 178.44 178.45 1nho h PHE 77 N 0.72 0.64 0.07 1.13 3.04 0.27 0.60 116.94 123.41 1nho h PHE 77 Ca 0.17 0.02 -0.25 0.00 3.98 0.00 0.00 57.97 61.88 1nho h PHE 77 Cb 0.30 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 1nho h PHE 77 CO 0.02 0.32 -1.20 1.49 -2.02 0.00 0.00 178.31 176.92 1nho h GLU 78 N 0.62 0.15 -0.13 1.11 4.57 -0.74 -3.20 114.58 116.95 1nho h GLU 78 Ca 0.30 -0.26 -0.14 0.00 -1.18 0.00 0.00 59.36 58.08 1nho h GLU 78 Cb 0.37 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1nho h GLU 78 CO -0.10 1.09 -0.53 0.00 -1.18 0.00 0.00 179.01 178.29 1nho h ALA 79 N 0.75 0.84 -0.40 2.92 0.00 0.92 -1.95 119.26 122.34 1nho h ALA 79 Ca -0.10 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 1nho h ALA 79 Cb 1.90 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1nho h ALA 79 CO 0.16 0.68 -0.02 0.82 0.00 0.00 0.00 179.25 180.89 1nho h ILE 80 N 0.30 1.27 0.00 0.00 5.03 -1.03 0.55 117.51 123.63 1nho h ILE 80 Ca 0.01 -1.06 0.00 0.00 -0.12 0.00 0.00 64.86 63.69 1nho h ILE 80 Cb 1.03 1.16 0.00 0.00 -3.03 0.00 0.00 36.82 35.98 1nho h ILE 80 CO 0.09 0.36 0.00 -1.13 -0.68 0.00 0.00 178.15 176.79 1nho h ASN 81 N 0.54 0.00 -0.01 1.72 -1.24 -1.53 0.40 115.58 115.46 1nho h ASN 81 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.12 1nho h ASN 81 Cb 0.51 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.56 1nho h ASN 81 CO 0.03 0.00 -0.45 -0.67 -1.29 0.00 0.00 177.43 175.05 1nho n ASP 82 N -3.01 1.54 -0.08 1.15 -0.08 -0.46 -0.36 116.55 115.26 1nho n ASP 82 Ca -0.01 -1.27 -0.12 0.00 -1.51 0.00 0.00 54.79 51.88 1nho n ASP 82 Cb 0.20 0.57 -0.08 0.00 2.34 0.00 0.00 41.12 44.16 1nho n ASP 82 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1nho h GLU 83 N 1.57 0.00 0.00 -0.67 4.57 0.11 -3.35 114.58 116.81 1nho h GLU 83 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1nho h GLU 83 Cb 0.56 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1nho h GLU 83 CO 0.00 0.62 -0.12 1.98 -1.18 0.00 0.00 179.01 180.31 1nho h MET 84 N -1.00 0.00 0.00 1.92 4.05 -0.39 -3.47 114.93 116.03 1nho h MET 84 Ca -0.12 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 1nho h MET 84 Cb 0.84 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 1nho h MET 84 CO -0.08 0.12 0.00 -1.91 0.23 0.00 0.00 176.91 175.28