#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 -4.87 118.33 115.49 1nho n VAL 2 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 1nho n VAL 2 Cb 0.00 -0.19 -0.06 0.00 -1.06 0.00 0.00 33.84 32.53 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 0.11 4.75 -0.25 1.55 1.01 -1.25 -4.91 120.40 121.41 1nho s VAL 3 Ca 0.00 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 1nho s VAL 3 Cb 0.00 -4.22 0.08 0.00 0.00 0.00 0.00 36.38 32.24 1nho s VAL 3 CO 0.00 -0.52 0.06 0.20 0.00 0.00 0.00 175.10 174.83 1nho s ASN 4 N 1.95 3.50 -0.03 3.32 0.02 -1.20 -0.08 114.94 122.41 1nho s ASN 4 Ca 0.28 -1.22 0.07 0.00 -1.02 0.00 0.00 52.86 50.97 1nho s ASN 4 Cb -0.13 -0.75 -0.02 0.00 0.02 0.00 0.00 41.25 40.37 1nho s ASN 4 CO 0.19 -0.35 -0.25 -0.63 0.02 0.00 0.00 177.10 176.07 1nho s ILE 5 N 1.72 2.01 -0.09 0.60 1.01 -1.19 -4.07 121.20 121.19 1nho s ILE 5 Ca 0.03 -1.07 -0.00 0.00 0.00 0.00 0.00 60.65 59.61 1nho s ILE 5 Cb -0.17 -1.68 0.02 0.00 0.01 0.00 0.00 42.46 40.64 1nho s ILE 5 CO -0.16 0.57 -0.06 -0.70 0.00 0.00 0.00 174.94 174.58 1nho s GLU 6 N -0.42 1.27 -0.04 2.79 -6.30 -0.99 0.36 118.70 115.38 1nho s GLU 6 Ca 0.05 -0.18 0.01 0.00 -2.50 0.00 0.00 54.97 52.34 1nho s GLU 6 Cb -0.11 -1.33 -0.03 0.00 0.00 0.00 0.00 34.13 32.65 1nho s GLU 6 CO 0.01 -0.21 -0.04 0.14 0.02 0.00 0.00 175.26 175.19 1nho s VAL 7 N 1.50 3.92 -0.41 3.70 -7.23 -0.45 -0.05 120.40 121.39 1nho s VAL 7 Ca -0.00 -0.54 0.04 0.00 -1.81 0.00 0.00 61.98 59.66 1nho s VAL 7 Cb -0.13 -2.68 0.17 0.00 0.56 0.00 0.00 36.38 34.30 1nho s VAL 7 CO -0.05 0.49 0.33 0.12 -0.31 0.00 0.00 175.10 175.68 1nho s PHE 8 N -0.94 1.07 0.01 2.82 5.36 0.29 0.25 117.98 126.83 1nho s PHE 8 Ca 0.16 -2.27 -0.00 0.00 -0.96 0.00 0.00 56.93 53.85 1nho s PHE 8 Cb -0.11 -0.93 -0.00 0.00 -0.34 0.00 0.00 43.02 41.64 1nho s PHE 8 CO 0.05 -0.83 -0.00 2.41 -1.46 0.00 0.00 175.22 175.39 1nho n THR 9 N 2.95 0.16 0.00 0.12 -1.04 -1.07 -0.96 114.28 114.44 1nho n THR 9 Ca 0.28 0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 1nho n THR 9 Cb 0.47 -1.13 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 1nho n THR 9 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1nho n SER 10 N -2.64 0.00 0.08 8.00 3.41 -1.26 -1.02 113.62 120.19 1nho n SER 10 Ca -0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 1nho n SER 10 Cb 0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1nho n SER 10 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1nho h PRO 11 N 0.00 0.00 0.00 4.33 0.13 -1.94 -3.21 132.00 131.31 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 0.83 0.00 1.79 -0.23 0.00 0.00 178.00 180.39 1nho h THR 12 N 0.00 0.00 -1.94 1.56 1.35 -2.04 -3.46 112.91 108.39 1nho h THR 12 Ca -0.01 -0.79 -0.58 0.00 -0.55 0.00 0.00 66.41 64.48 1nho h THR 12 Cb 1.65 1.78 -0.13 0.00 -1.73 0.00 0.00 68.15 69.72 1nho h THR 12 CO 0.11 0.00 -0.56 0.00 -0.25 0.00 0.00 175.52 174.82 1nho s PRO 14 N -3.80 3.88 0.00 0.00 0.04 -1.26 -4.42 135.00 129.43 1nho s PRO 14 Ca 0.25 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1nho s PRO 14 Cb 0.05 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.80 1nho s PRO 14 CO 0.13 -0.96 0.00 0.66 0.04 0.00 0.00 177.00 176.86 1nho n TYR 15 N 6.85 0.00 -2.63 0.56 4.01 -1.26 -4.82 117.16 119.88 1nho n TYR 15 Ca 0.08 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.81 1nho n TYR 15 Cb 0.48 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.57 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 -0.78 0.83 -0.02 0.00 -0.04 -1.26 -4.03 135.00 129.70 1nho n PRO 17 Ca -0.08 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.37 1nho n PRO 17 Cb 0.86 -1.29 -0.00 0.00 -0.04 0.00 0.00 33.50 33.02 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 -0.09 0.10 0.24 0.54 0.00 -1.26 -3.82 117.12 112.84 1nho n MET 18 Ca 0.00 0.17 0.18 0.00 -0.00 0.00 0.00 57.70 58.05 1nho n MET 18 Cb 0.15 -0.81 0.83 0.00 0.00 0.00 0.00 33.22 33.38 1nho n MET 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1nho h ALA 19 N -1.80 1.61 -0.31 -5.12 0.00 -1.79 0.18 119.26 112.04 1nho h ALA 19 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1nho h ALA 19 Cb 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1nho h ALA 19 CO 0.00 -0.40 -0.48 -0.84 0.00 0.00 0.00 179.25 177.54 1nho h ILE 20 N 0.00 1.28 -1.07 0.00 3.07 -1.75 -2.62 117.51 116.41 1nho h ILE 20 Ca 0.07 -1.66 0.29 0.00 1.55 0.00 0.00 64.86 65.11 1nho h ILE 20 Cb 0.71 1.54 -0.07 0.00 -0.27 0.00 0.00 36.82 38.73 1nho h ILE 20 CO -0.00 0.54 0.73 -0.08 -1.05 0.00 0.00 178.15 178.29 1nho h GLU 21 N 0.67 0.20 -0.07 0.16 4.81 -0.73 0.97 114.58 120.59 1nho h GLU 21 Ca 0.03 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1nho h GLU 21 Cb 1.07 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1nho h GLU 21 CO 0.11 0.13 -0.15 0.28 -0.73 0.00 0.00 179.01 178.66 1nho h VAL 22 N 0.21 1.41 -0.27 0.32 2.07 -1.53 -0.88 116.25 117.58 1nho h VAL 22 Ca 0.57 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1nho h VAL 22 Cb 1.80 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 33.74 1nho h VAL 22 CO -0.16 0.41 0.10 1.62 0.02 0.00 0.00 177.57 179.56 1nho h VAL 23 N -0.25 1.11 -0.47 2.57 3.04 0.03 -1.41 116.25 120.87 1nho h VAL 23 Ca 0.00 -0.35 -0.13 0.00 -1.01 0.00 0.00 66.70 65.21 1nho h VAL 23 Cb 0.73 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 30.79 1nho h VAL 23 CO 0.03 0.13 -0.21 -0.78 -1.01 0.00 0.00 177.57 175.74 1nho h ASP 24 N 0.38 1.00 -0.44 3.17 1.82 0.88 0.34 116.42 123.57 1nho h ASP 24 Ca 0.10 -0.39 0.04 0.00 -0.39 0.00 0.00 57.03 56.38 1nho h ASP 24 Cb 0.09 -0.28 -0.04 0.00 0.68 0.00 0.00 39.33 39.78 1nho h ASP 24 CO -0.01 1.17 0.21 -0.33 -1.61 0.00 0.00 179.24 178.67 1nho h GLU 25 N 0.82 0.40 0.09 0.28 5.08 -0.09 0.46 114.58 121.62 1nho h GLU 25 Ca 0.11 -0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 58.16 1nho h GLU 25 Cb 0.78 -0.09 0.03 0.00 0.50 0.00 0.00 28.75 29.97 1nho h GLU 25 CO 0.06 0.27 -1.19 0.00 -1.00 0.00 0.00 179.01 177.15 1nho h ALA 26 N 1.25 0.05 0.00 3.43 0.00 -1.29 -3.02 119.26 119.66 1nho h ALA 26 Ca 0.19 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1nho h ALA 26 Cb 0.12 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1nho h ALA 26 CO -0.15 0.70 0.00 0.87 0.00 0.00 0.00 179.25 180.67 1nho h LYS 27 N 0.30 0.00 -0.07 0.00 1.79 -0.04 -2.27 116.57 116.27 1nho h LYS 27 Ca -0.17 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.19 1nho h LYS 27 Cb 1.85 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.51 1nho h LYS 27 CO 0.23 0.00 -0.39 0.87 -1.08 0.00 0.00 179.45 179.07 1nho h LYS 28 N 0.00 0.40 -0.99 3.15 1.79 -0.05 1.12 116.57 121.99 1nho h LYS 28 Ca 0.00 -0.33 0.26 0.00 -2.18 0.00 0.00 60.65 58.41 1nho h LYS 28 Cb 0.48 0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 31.14 1nho h LYS 28 CO 0.00 0.97 0.68 1.05 -1.08 0.00 0.00 179.45 181.07 1nho h GLU 29 N -0.07 0.20 0.00 3.15 -0.00 -1.28 -1.73 114.58 114.84 1nho h GLU 29 Ca -0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.32 1nho h GLU 29 Cb 1.05 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 29.75 1nho h GLU 29 CO 0.08 0.13 -0.26 0.34 -0.00 0.00 0.00 179.01 179.30 1nho n PHE 30 N -4.41 0.08 -2.76 2.06 7.35 -1.14 -4.68 117.46 113.96 1nho n PHE 30 Ca 0.22 0.03 -0.43 0.00 -0.76 0.00 0.00 57.45 56.51 1nho n PHE 30 Cb 0.93 -0.22 -0.02 0.00 0.35 0.00 0.00 39.48 40.52 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 -3.42 1.77 0.50 7.13 0.00 0.39 -4.82 107.32 108.86 1nho s GLY 31 Ca -0.07 -2.76 0.42 0.00 0.00 0.00 0.00 44.72 42.30 1nho s GLY 31 CO 0.11 2.35 1.34 1.34 0.00 0.00 0.00 173.10 178.24 1nho n ASP 32 N 7.41 0.00 -4.84 1.64 2.03 -0.66 -4.21 116.55 117.92 1nho n ASP 32 Ca 0.34 0.85 -0.32 0.00 0.52 0.00 0.00 54.79 56.17 1nho n ASP 32 Cb 0.48 -0.41 -0.02 0.00 -0.72 0.00 0.00 41.12 40.46 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 -4.56 3.73 0.09 -0.67 1.02 -1.26 -4.91 119.74 113.18 1nho s LYS 33 Ca -0.04 0.97 0.05 0.00 0.02 0.00 0.00 55.97 56.98 1nho s LYS 33 Cb 0.22 -2.10 -0.03 0.00 -0.52 0.00 0.00 37.83 35.40 1nho s LYS 33 CO 0.73 -0.46 -0.14 -1.50 -0.92 0.00 0.00 175.35 173.06 1nho s ILE 34 N -2.69 1.20 -0.47 2.17 1.10 -1.26 -3.89 121.20 117.36 1nho s ILE 34 Ca 0.59 -1.45 0.06 0.00 -0.51 0.00 0.00 60.65 59.35 1nho s ILE 34 Cb -0.11 -1.24 0.19 0.00 0.15 0.00 0.00 42.46 41.45 1nho s ILE 34 CO 0.37 -0.28 0.60 0.47 -2.11 0.00 0.00 174.94 173.99 1nho n ASP 35 N 1.04 -2.14 -4.72 4.50 9.92 0.88 -4.85 116.55 121.18 1nho n ASP 35 Ca -0.19 -2.76 -0.36 0.00 -0.53 0.00 0.00 54.79 50.94 1nho n ASP 35 Cb 0.55 0.82 -0.07 0.00 -0.64 0.00 0.00 41.12 41.77 1nho n ASP 35 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1nho s VAL 36 N 0.42 5.32 -0.11 2.53 1.01 -1.21 -3.16 120.40 125.19 1nho s VAL 36 Ca 0.32 0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.77 1nho s VAL 36 Cb 0.05 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1nho s VAL 36 CO -0.13 0.38 -0.12 -1.61 0.00 0.00 0.00 175.10 173.62 1nho s GLU 37 N 0.60 3.15 -0.08 2.72 2.02 1.14 -4.81 118.70 123.44 1nho s GLU 37 Ca 0.14 -0.67 0.02 0.00 0.02 0.00 0.00 54.97 54.49 1nho s GLU 37 Cb -0.13 -2.59 0.01 0.00 0.10 0.00 0.00 34.13 31.53 1nho s GLU 37 CO 0.03 0.35 -0.14 -1.59 0.02 0.00 0.00 175.26 173.93 1nho s LYS 38 N 0.01 1.90 0.26 1.61 0.00 -1.26 -1.34 119.74 120.92 1nho s LYS 38 Ca -0.03 -0.47 0.01 0.00 0.00 0.00 0.00 55.97 55.48 1nho s LYS 38 Cb -0.14 -1.58 -0.05 0.00 0.00 0.00 0.00 37.83 36.06 1nho s LYS 38 CO 0.04 0.01 0.09 0.96 0.00 0.00 0.00 175.35 176.45 1nho s ILE 39 N 0.75 0.59 0.46 3.79 -4.36 0.69 -4.83 121.20 118.28 1nho s ILE 39 Ca -0.13 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.35 1nho s ILE 39 Cb -0.16 -2.64 0.03 0.00 1.25 0.00 0.00 42.46 40.94 1nho s ILE 39 CO 0.03 -0.01 0.60 -0.62 0.24 0.00 0.00 174.94 175.18 1nho s ASP 40 N -3.32 5.48 0.27 4.36 2.15 -1.26 -2.60 116.67 121.75 1nho s ASP 40 Ca 0.38 -0.55 -0.03 0.00 0.43 0.00 0.00 52.55 52.78 1nho s ASP 40 Cb 0.08 -0.43 0.36 0.00 -0.30 0.00 0.00 42.92 42.64 1nho s ASP 40 CO 0.14 -0.89 1.85 -0.29 -0.17 0.00 0.00 175.17 175.81 1nho h ILE 41 N 0.56 1.23 -0.00 4.11 6.09 -1.26 0.74 117.51 128.98 1nho h ILE 41 Ca -0.38 -0.71 0.00 0.00 -1.37 0.00 0.00 64.86 62.40 1nho h ILE 41 Cb 1.28 0.44 0.00 0.00 0.47 0.00 0.00 36.82 39.01 1nho h ILE 41 CO 0.45 0.29 -0.02 1.15 -3.07 0.00 0.00 178.15 176.95 1nho n MET 42 N -4.31 0.62 -0.04 2.19 0.00 -1.26 -2.82 117.12 111.50 1nho n MET 42 Ca 0.06 -0.05 -0.08 0.00 0.00 0.00 0.00 57.70 57.63 1nho n MET 42 Cb 0.17 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 31.86 1nho n MET 42 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 1nho n VAL 43 N -1.14 0.45 -1.61 3.17 0.24 -0.55 -4.70 118.33 114.20 1nho n VAL 43 Ca 0.17 -0.14 -0.33 0.00 -2.04 0.00 0.00 64.34 62.00 1nho n VAL 43 Cb 0.22 -1.28 0.06 0.00 -1.47 0.00 0.00 33.84 31.37 1nho n VAL 43 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1nho n ASP 44 N -3.11 6.95 0.00 -1.34 2.03 0.25 -4.64 116.55 116.68 1nho n ASP 44 Ca -0.15 -3.78 0.04 0.00 0.52 0.00 0.00 54.79 51.41 1nho n ASP 44 Cb 0.63 -0.83 0.23 0.00 -0.72 0.00 0.00 41.12 40.43 1nho n ASP 44 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1nho n ARG 45 N -0.80 0.22 0.29 -0.67 0.00 -1.13 -1.83 116.66 112.74 1nho n ARG 45 Ca 0.57 0.06 0.16 0.00 -0.00 0.00 0.00 57.85 58.64 1nho n ARG 45 Cb 0.67 -1.50 0.89 0.00 0.00 0.00 0.00 32.46 32.52 1nho n ARG 45 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1nho h GLU 46 N 0.00 0.00 -0.07 -0.14 4.39 -1.88 -3.12 114.58 113.77 1nho h GLU 46 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1nho h GLU 46 Cb 0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1nho h GLU 46 CO 0.00 0.05 -0.07 -0.22 -1.16 0.00 0.00 179.01 177.61 1nho h LYS 47 N 0.00 -0.03 0.00 2.33 1.63 -1.75 0.90 116.57 119.64 1nho h LYS 47 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1nho h LYS 47 Cb 0.18 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1nho h LYS 47 CO 0.01 -0.02 0.11 0.00 -3.45 0.00 0.00 179.45 176.10 1nho n ALA 48 N -2.82 0.78 -0.06 5.00 0.00 -1.18 -3.28 120.51 118.95 1nho n ALA 48 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1nho n ALA 48 Cb 0.04 -0.79 0.11 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.41 -0.08 0.02 0.00 -6.64 0.31 0.66 119.36 112.22 1nho n ILE 49 Ca -0.00 0.41 -0.10 0.00 -1.77 0.00 0.00 62.75 61.29 1nho n ILE 49 Cb 0.11 -0.65 -0.04 0.00 -1.44 0.00 0.00 39.64 37.62 1nho n ILE 49 CO 0.00 0.00 0.00 -0.33 -1.77 0.00 0.00 176.55 174.45 1nho h GLU 50 N 0.00 -0.29 0.00 6.28 5.08 -1.76 -3.36 114.58 120.53 1nho h GLU 50 Ca 0.16 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1nho h GLU 50 Cb 0.41 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1nho h GLU 50 CO -0.16 -0.19 -1.00 2.48 -1.00 0.00 0.00 179.01 179.13 1nho n TYR 51 N -5.35 0.00 -0.11 4.33 4.11 3.03 -4.96 117.16 118.21 1nho n TYR 51 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.86 1nho n TYR 51 Cb 0.26 -0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.60 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 3.11 0.00 0.00 -7.48 0.00 0.62 -4.65 105.19 96.79 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 2.02 -3.83 0.99 4.77 -1.26 -4.37 117.00 115.31 1nho n LEU 53 Ca 0.00 0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 1nho n LEU 53 Cb 0.04 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1nho n LEU 53 CO 0.00 0.00 1.61 0.23 -1.33 0.00 0.00 177.39 177.90 1nho n MET 54 N -0.47 4.38 -3.85 3.23 2.81 -1.26 -4.98 117.12 116.98 1nho n MET 54 Ca 0.00 -4.10 -0.36 0.00 -1.81 0.00 0.00 57.70 51.43 1nho n MET 54 Cb 0.00 -2.65 -0.13 0.00 -0.71 0.00 0.00 33.22 29.73 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 -1.81 2.96 0.25 3.04 0.00 -1.26 -4.86 121.76 120.08 1nho s ALA 55 Ca 0.38 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1nho s ALA 55 Cb 0.10 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.36 1nho s ALA 55 CO 0.01 -0.44 0.00 0.28 0.00 0.00 0.00 175.76 175.61 1nho n VAL 56 N 4.82 0.00 -3.81 0.00 0.31 -1.26 -4.99 118.33 113.41 1nho n VAL 56 Ca -0.17 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.79 1nho n VAL 56 Cb 0.51 -0.27 -0.13 0.00 -0.91 0.00 0.00 33.84 33.04 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 -2.00 2.51 0.31 5.55 0.04 -1.26 -4.05 135.00 136.09 1nho s PRO 57 Ca 0.00 -1.27 -0.19 0.00 0.04 0.00 0.00 61.00 59.58 1nho s PRO 57 Cb 0.00 -3.38 0.05 0.00 0.04 0.00 0.00 34.50 31.21 1nho s PRO 57 CO 0.00 -0.69 0.80 0.00 0.04 0.00 0.00 177.00 177.16 1nho s ALA 58 N 1.33 -1.07 0.08 8.56 0.00 -0.13 -0.14 121.76 130.38 1nho s ALA 58 Ca -0.02 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.48 1nho s ALA 58 Cb -0.20 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 1nho s ALA 58 CO 0.01 -1.02 -0.08 0.42 0.00 0.00 0.00 175.76 175.09 1nho s ILE 59 N -2.95 0.73 0.32 0.00 1.09 -0.88 0.10 121.20 119.62 1nho s ILE 59 Ca 0.14 -1.52 -0.02 0.00 -1.10 0.00 0.00 60.65 58.15 1nho s ILE 59 Cb -0.05 -1.18 -0.04 0.00 -1.06 0.00 0.00 42.46 40.13 1nho s ILE 59 CO 0.08 -0.58 0.55 0.00 -0.10 0.00 0.00 174.94 174.90 1nho s ALA 60 N -2.38 3.66 -0.75 9.38 0.00 0.93 0.25 121.76 132.85 1nho s ALA 60 Ca 0.02 -0.72 -0.13 0.00 0.00 0.00 0.00 51.96 51.13 1nho s ALA 60 Cb -0.03 -2.22 0.20 0.00 0.00 0.00 0.00 23.12 21.07 1nho s ALA 60 CO -0.01 0.11 0.67 0.42 0.00 0.00 0.00 175.76 176.95 1nho s ILE 61 N -2.21 5.26 -0.78 0.00 1.01 0.76 -3.73 121.20 121.51 1nho s ILE 61 Ca 0.42 -2.37 -0.19 0.00 0.00 0.00 0.00 60.65 58.51 1nho s ILE 61 Cb -0.10 -4.29 -0.18 0.00 0.01 0.00 0.00 42.46 37.90 1nho s ILE 61 CO 0.33 -0.98 1.94 0.59 0.00 0.00 0.00 174.94 176.83 1nho n ASN 62 N 4.13 0.43 0.00 3.58 5.03 -1.26 0.60 115.26 127.77 1nho n ASN 62 Ca 0.08 -1.86 0.00 0.00 0.87 0.00 0.00 54.58 53.67 1nho n ASN 62 Cb 0.45 -1.36 0.00 0.00 -1.02 0.00 0.00 39.78 37.85 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 5.86 1.53 1.38 7.41 0.00 -1.26 -4.51 105.19 115.60 1nho n GLY 63 Ca 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 0.72 0.00 1.61 0.24 0.20 -4.95 118.33 116.15 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 -1.20 0.00 0.00 -1.47 0.00 0.00 33.84 31.17 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 -3.42 0.00 -3.52 3.34 0.31 -0.89 -4.92 118.33 109.23 1nho n VAL 65 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1nho n VAL 65 Cb 0.04 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.95 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 1.04 0.73 0.29 5.55 3.52 -1.26 0.27 118.95 129.10 1nho s ARG 66 Ca 0.00 -0.25 -0.03 0.00 -0.13 0.00 0.00 55.73 55.31 1nho s ARG 66 Cb 0.00 0.34 -0.01 0.00 -1.56 0.00 0.00 34.95 33.72 1nho s ARG 66 CO 0.00 -0.32 0.39 -0.59 -0.81 0.00 0.00 175.30 173.97 1nho s PHE 67 N -2.93 1.01 -0.25 5.12 -0.71 0.14 -4.73 117.98 115.63 1nho s PHE 67 Ca 0.05 -1.23 -0.27 0.00 -1.04 0.00 0.00 56.93 54.44 1nho s PHE 67 Cb -0.01 -0.19 0.00 0.00 -1.21 0.00 0.00 43.02 41.61 1nho s PHE 67 CO -0.08 -0.98 0.94 0.08 -1.34 0.00 0.00 175.22 173.85 1nho s VAL 68 N -3.52 4.73 -0.30 -2.49 1.01 -1.26 -2.06 120.40 116.50 1nho s VAL 68 Ca 0.32 1.75 -0.02 0.00 0.00 0.00 0.00 61.98 64.03 1nho s VAL 68 Cb 0.01 -4.24 0.19 0.00 0.00 0.00 0.00 36.38 32.35 1nho s VAL 68 CO 0.17 -0.18 0.69 -0.83 0.00 0.00 0.00 175.10 174.95 1nho s GLY 69 N 1.34 -0.95 0.00 4.51 0.00 0.80 -4.86 107.32 108.16 1nho s GLY 69 Ca 0.40 1.85 0.00 0.00 0.00 0.00 0.00 44.72 46.97 1nho s GLY 69 CO 0.08 3.54 0.00 0.00 0.00 0.00 0.00 173.10 176.72 1nho n ALA 70 N 5.42 0.00 0.70 3.20 0.00 -1.16 -1.94 120.51 126.73 1nho n ALA 70 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.45 1nho n ALA 70 Cb 0.52 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.82 1.81 -2.78 0.00 -0.04 -1.26 -4.36 135.00 127.56 1nho n PRO 71 Ca 0.00 -0.70 -0.38 0.00 -0.04 0.00 0.00 63.50 62.38 1nho n PRO 71 Cb 0.00 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 1nho n PRO 71 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1nho n SER 72 N 0.12 6.55 0.10 3.54 7.64 -1.26 -4.74 113.62 125.57 1nho n SER 72 Ca 0.06 -3.64 -0.01 0.00 1.01 0.00 0.00 58.87 56.29 1nho n SER 72 Cb 0.42 -1.05 0.25 0.00 -1.01 0.00 0.00 64.21 62.82 1nho n SER 72 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1nho h ARG 73 N 4.14 0.23 -0.80 1.43 3.08 -1.88 -2.96 114.38 117.62 1nho h ARG 73 Ca 0.40 -0.10 0.19 0.00 0.07 0.00 0.00 59.98 60.54 1nho h ARG 73 Cb 0.41 -0.01 -0.13 0.00 0.08 0.00 0.00 29.97 30.33 1nho h ARG 73 CO 1.12 0.57 0.19 1.49 -1.07 0.00 0.00 179.97 182.27 1nho h GLU 74 N 0.19 0.23 -1.35 0.04 4.22 -1.87 0.92 114.58 116.96 1nho h GLU 74 Ca 0.02 -0.01 0.39 0.00 0.08 0.00 0.00 59.36 59.84 1nho h GLU 74 Cb 0.76 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 1nho h GLU 74 CO 0.06 0.15 1.04 0.93 -2.18 0.00 0.00 179.01 179.01 1nho h GLU 75 N 0.23 0.00 -0.34 1.92 4.39 -1.91 1.84 114.58 120.72 1nho h GLU 75 Ca 0.47 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 60.00 1nho h GLU 75 Cb 0.87 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1nho h GLU 75 CO -0.59 0.00 -0.47 -0.07 -1.16 0.00 0.00 179.01 176.72 1nho h LEU 76 N 0.00 1.00 -0.83 1.33 4.07 0.69 -0.10 115.31 121.48 1nho h LEU 76 Ca 0.64 -0.50 0.02 0.00 0.08 0.00 0.00 57.88 58.13 1nho h LEU 76 Cb 2.71 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 44.12 1nho h LEU 76 CO -0.01 1.30 0.54 0.15 -1.08 0.00 0.00 178.44 179.34 1nho h PHE 77 N 0.72 1.01 0.00 1.13 3.04 0.29 -0.96 116.94 122.17 1nho h PHE 77 Ca 0.04 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.87 1nho h PHE 77 Cb 1.08 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 39.23 1nho h PHE 77 CO 0.07 0.60 -0.66 1.49 -2.02 0.00 0.00 178.31 177.79 1nho h GLU 78 N 1.06 0.00 -0.31 1.11 4.22 -1.34 -3.17 114.58 116.15 1nho h GLU 78 Ca 0.32 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.65 1nho h GLU 78 Cb -0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1nho h GLU 78 CO -0.10 0.66 -0.25 0.00 -2.18 0.00 0.00 179.01 177.14 1nho h ALA 79 N 1.34 0.45 -0.41 2.92 0.00 0.03 0.38 119.26 123.97 1nho h ALA 79 Ca -0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1nho h ALA 79 Cb 1.33 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1nho h ALA 79 CO 0.09 0.44 0.21 0.82 0.00 0.00 0.00 179.25 180.81 1nho h ILE 80 N 0.48 1.16 0.00 0.00 5.03 -1.27 0.80 117.51 123.71 1nho h ILE 80 Ca 0.06 -0.44 -0.09 0.00 -0.12 0.00 0.00 64.86 64.27 1nho h ILE 80 Cb 0.81 0.71 -0.01 0.00 -3.03 0.00 0.00 36.82 35.29 1nho h ILE 80 CO 0.07 0.17 -0.41 -0.55 -0.68 0.00 0.00 178.15 176.75 1nho h ASN 81 N 0.53 0.00 -0.54 1.72 -1.07 -1.51 -0.88 115.58 113.82 1nho h ASN 81 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.51 1nho h ASN 81 Cb 0.09 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.34 1nho h ASN 81 CO -0.02 0.41 0.00 -0.67 0.07 0.00 0.00 177.43 177.22 1nho n ASP 82 N -3.62 3.37 -0.09 6.14 -0.08 0.13 -2.24 116.55 120.16 1nho n ASP 82 Ca -0.01 -1.98 -0.13 0.00 -1.51 0.00 0.00 54.79 51.17 1nho n ASP 82 Cb 0.51 -0.36 -0.04 0.00 2.34 0.00 0.00 41.12 43.57 1nho n ASP 82 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1nho n GLU 83 N 1.37 0.51 0.16 -0.67 4.07 0.27 -4.27 120.64 122.09 1nho n GLU 83 Ca 0.21 0.21 0.13 0.00 -0.06 0.00 0.00 57.16 57.65 1nho n GLU 83 Cb 0.55 -1.39 0.56 0.00 -0.06 0.00 0.00 31.44 31.10 1nho n GLU 83 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1nho h MET 84 N -0.94 0.00 0.00 5.31 -0.00 -1.30 -3.46 114.93 114.53 1nho h MET 84 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.55 1nho h MET 84 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.69 1nho h MET 84 CO -0.09 0.00 0.00 -1.91 -0.00 0.00 0.00 176.91 174.91