#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 -3.12 1.12 3.14 -1.26 -4.92 118.33 113.29 1nho n VAL 2 Ca 0.00 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.98 1nho n VAL 2 Cb 0.00 -0.06 -0.06 0.00 -1.06 0.00 0.00 33.84 32.66 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 0.35 5.00 -0.15 1.55 1.01 -1.25 -4.94 120.40 121.97 1nho s VAL 3 Ca 0.00 1.15 -0.05 0.00 0.00 0.00 0.00 61.98 63.08 1nho s VAL 3 Cb 0.00 -3.94 0.06 0.00 0.00 0.00 0.00 36.38 32.50 1nho s VAL 3 CO 0.00 0.07 0.09 0.21 0.00 0.00 0.00 175.10 175.47 1nho s ASN 4 N 1.34 2.16 -0.06 3.32 3.04 -1.22 0.19 114.94 123.70 1nho s ASN 4 Ca 0.27 -0.51 0.05 0.00 0.04 0.00 0.00 52.86 52.71 1nho s ASN 4 Cb -0.16 -0.21 -0.01 0.00 -1.54 0.00 0.00 41.25 39.34 1nho s ASN 4 CO 0.09 -0.34 -0.23 -0.63 -3.04 0.00 0.00 177.10 172.96 1nho s ILE 5 N 2.15 1.89 -0.21 -5.21 1.01 -1.18 -4.22 121.20 115.43 1nho s ILE 5 Ca 0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 1nho s ILE 5 Cb -0.15 -1.61 0.06 0.00 0.01 0.00 0.00 42.46 40.76 1nho s ILE 5 CO -0.08 0.53 -0.03 -0.70 0.00 0.00 0.00 174.94 174.66 1nho s GLU 6 N 0.03 1.29 -0.33 2.79 2.12 -1.09 0.46 118.70 123.97 1nho s GLU 6 Ca -0.08 -0.72 -0.07 0.00 0.36 0.00 0.00 54.97 54.47 1nho s GLU 6 Cb -0.14 -2.32 0.03 0.00 0.26 0.00 0.00 34.13 31.96 1nho s GLU 6 CO 0.05 -0.58 0.11 0.14 -0.54 0.00 0.00 175.26 174.44 1nho s VAL 7 N 1.59 3.89 -0.47 3.70 -7.23 -0.29 0.15 120.40 121.74 1nho s VAL 7 Ca -0.03 -1.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.15 1nho s VAL 7 Cb -0.18 -3.15 0.12 0.00 0.56 0.00 0.00 36.38 33.74 1nho s VAL 7 CO -0.07 -0.12 0.23 0.12 -0.31 0.00 0.00 175.10 174.95 1nho s PHE 8 N 1.44 3.47 0.00 2.82 5.36 0.62 0.18 117.98 131.87 1nho s PHE 8 Ca -0.00 -2.90 0.00 0.00 -0.96 0.00 0.00 56.93 53.06 1nho s PHE 8 Cb -0.19 -3.00 0.00 0.00 -0.34 0.00 0.00 43.02 39.49 1nho s PHE 8 CO 0.03 -0.86 0.00 2.41 -1.46 0.00 0.00 175.22 175.34 1nho n THR 9 N 3.77 0.02 -3.63 0.12 -1.04 -1.22 0.52 114.28 112.82 1nho n THR 9 Ca 0.04 0.01 -0.05 0.00 -2.04 0.00 0.00 64.05 62.00 1nho n THR 9 Cb 0.38 -0.81 -0.05 0.00 -1.82 0.00 0.00 70.33 68.03 1nho n THR 9 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1nho s SER 10 N -4.82 -0.17 0.27 8.00 1.04 -1.26 -1.09 113.70 115.68 1nho s SER 10 Ca 0.00 0.24 0.12 0.00 0.48 0.00 0.00 55.95 56.79 1nho s SER 10 Cb 0.00 0.21 0.32 0.00 0.10 0.00 0.00 66.02 66.65 1nho s SER 10 CO 0.00 -0.12 1.58 1.55 0.98 0.00 0.00 173.24 177.23 1nho h PRO 11 N 2.65 0.00 0.00 4.02 0.13 -1.89 -3.07 132.00 133.84 1nho h PRO 11 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1nho h PRO 11 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1nho h PRO 11 CO 0.22 0.62 0.00 2.41 -0.23 0.00 0.00 178.00 181.02 1nho n THR 12 N -3.66 0.63 -4.64 1.56 -1.04 -1.26 -4.86 114.28 101.01 1nho n THR 12 Ca -0.01 -0.28 -0.29 0.00 -2.04 0.00 0.00 64.05 61.43 1nho n THR 12 Cb 0.65 -0.61 -0.07 0.00 -1.82 0.00 0.00 70.33 68.48 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 -3.72 3.65 0.00 0.00 0.04 -1.26 -4.59 135.00 129.12 1nho s PRO 14 Ca 0.10 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1nho s PRO 14 Cb 0.00 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1nho s PRO 14 CO 0.07 -1.19 0.00 0.66 0.04 0.00 0.00 177.00 176.58 1nho n TYR 15 N 7.22 0.00 -2.68 0.56 4.01 -1.26 -4.81 117.16 120.20 1nho n TYR 15 Ca 0.08 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.80 1nho n TYR 15 Cb 0.48 0.00 0.10 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 -1.24 0.81 -0.02 0.00 -0.04 -1.26 -4.03 135.00 129.22 1nho n PRO 17 Ca -0.12 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.31 1nho n PRO 17 Cb 0.86 -1.31 -0.01 0.00 -0.04 0.00 0.00 33.50 33.00 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 0.25 0.15 0.30 0.54 0.00 -1.26 -4.12 117.12 112.98 1nho n MET 18 Ca 0.00 0.06 0.18 0.00 -0.00 0.00 0.00 57.70 57.94 1nho n MET 18 Cb 0.27 -0.71 0.92 0.00 0.00 0.00 0.00 33.22 33.70 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 -1.39 1.38 -0.17 -5.12 0.00 -1.76 0.10 119.26 112.30 1nho h ALA 19 Ca 0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1nho h ALA 19 Cb 0.28 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1nho h ALA 19 CO 0.00 -0.27 -0.73 -0.84 0.00 0.00 0.00 179.25 177.41 1nho h ILE 20 N 0.00 1.29 -1.08 0.00 -0.00 -1.73 -2.78 117.51 113.21 1nho h ILE 20 Ca 0.03 -1.94 0.30 0.00 -0.00 0.00 0.00 64.86 63.24 1nho h ILE 20 Cb 0.50 1.93 -0.06 0.00 -0.00 0.00 0.00 36.82 39.18 1nho h ILE 20 CO -0.00 0.62 0.75 -0.08 -0.00 0.00 0.00 178.15 179.43 1nho h GLU 21 N 0.53 0.16 -0.12 0.16 4.81 -0.94 0.77 114.58 119.94 1nho h GLU 21 Ca -0.04 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1nho h GLU 21 Cb 1.34 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 1nho h GLU 21 CO 0.15 0.10 -0.07 0.28 -0.73 0.00 0.00 179.01 178.75 1nho h VAL 22 N 0.16 1.32 -0.33 0.32 2.07 -1.54 0.19 116.25 118.44 1nho h VAL 22 Ca 0.56 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 1nho h VAL 22 Cb 1.87 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 33.42 1nho h VAL 22 CO -0.13 0.32 -0.01 1.62 0.02 0.00 0.00 177.57 179.39 1nho h VAL 23 N -0.09 1.20 -0.24 2.57 3.04 -0.14 -2.69 116.25 119.90 1nho h VAL 23 Ca 0.03 -0.80 -0.19 0.00 -1.01 0.00 0.00 66.70 64.73 1nho h VAL 23 Cb 0.54 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1nho h VAL 23 CO 0.02 0.27 -0.59 -0.78 -1.01 0.00 0.00 177.57 175.48 1nho h ASP 24 N 0.50 0.89 -0.55 3.17 1.82 0.47 0.58 116.42 123.31 1nho h ASP 24 Ca 0.11 -0.49 0.05 0.00 -0.39 0.00 0.00 57.03 56.30 1nho h ASP 24 Cb 0.34 -0.26 -0.05 0.00 0.68 0.00 0.00 39.33 40.05 1nho h ASP 24 CO 0.01 1.28 0.29 -0.33 -1.61 0.00 0.00 179.24 178.88 1nho h GLU 25 N 0.59 0.54 0.14 0.28 4.39 -0.30 0.51 114.58 120.73 1nho h GLU 25 Ca 0.00 -0.03 -0.29 0.00 0.34 0.00 0.00 59.36 59.37 1nho h GLU 25 Cb 1.19 -0.12 0.03 0.00 -0.10 0.00 0.00 28.75 29.75 1nho h GLU 25 CO 0.12 0.36 -1.24 0.00 -1.16 0.00 0.00 179.01 177.09 1nho h ALA 26 N 1.29 -0.04 0.00 3.43 0.00 -1.49 -3.09 119.26 119.35 1nho h ALA 26 Ca 0.24 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1nho h ALA 26 Cb 0.13 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1nho h ALA 26 CO -0.16 0.65 0.00 0.87 0.00 0.00 0.00 179.25 180.61 1nho h LYS 27 N 0.20 0.00 -0.17 0.00 1.79 -0.63 -1.90 116.57 115.86 1nho h LYS 27 Ca -0.20 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.18 1nho h LYS 27 Cb 1.93 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.58 1nho h LYS 27 CO 0.24 0.00 -0.27 0.87 -1.08 0.00 0.00 179.45 179.21 1nho h LYS 28 N 0.00 0.47 -0.92 3.15 1.79 0.01 1.89 116.57 122.96 1nho h LYS 28 Ca 0.00 -0.29 0.20 0.00 -2.18 0.00 0.00 60.65 58.38 1nho h LYS 28 Cb 0.49 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.10 1nho h LYS 28 CO 0.00 0.88 0.60 1.05 -1.08 0.00 0.00 179.45 180.90 1nho h GLU 29 N 0.11 0.43 0.00 3.15 -0.00 -1.27 -1.47 114.58 115.54 1nho h GLU 29 Ca 0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1nho h GLU 29 Cb 0.84 -0.10 0.00 0.00 -0.00 0.00 0.00 28.75 29.50 1nho h GLU 29 CO 0.06 0.29 -0.23 1.97 -0.00 0.00 0.00 179.01 181.10 1nho n PHE 30 N -4.53 0.26 -2.00 2.06 1.16 -1.01 -4.58 117.46 108.82 1nho n PHE 30 Ca 0.20 0.11 -0.42 0.00 -1.87 0.00 0.00 57.45 55.47 1nho n PHE 30 Cb 0.69 -0.38 0.00 0.00 -1.61 0.00 0.00 39.48 38.18 1nho n PHE 30 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1nho n GLY 31 N 1.65 4.03 0.39 4.97 0.00 0.64 -4.87 105.19 112.00 1nho n GLY 31 Ca -0.03 -1.62 0.17 0.00 0.00 0.00 0.00 46.02 44.54 1nho n GLY 31 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nho n ASP 32 N 6.40 0.00 -4.82 1.61 2.03 -0.57 -4.21 116.55 116.99 1nho n ASP 32 Ca 0.50 0.57 -0.33 0.00 0.52 0.00 0.00 54.79 56.05 1nho n ASP 32 Cb 0.40 -0.16 -0.03 0.00 -0.72 0.00 0.00 41.12 40.61 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 -3.86 3.81 0.08 -0.67 1.02 -1.26 -4.95 119.74 113.91 1nho s LYS 33 Ca -0.02 1.15 0.05 0.00 0.02 0.00 0.00 55.97 57.17 1nho s LYS 33 Cb 0.09 -2.11 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 1nho s LYS 33 CO 0.29 -0.40 -0.14 -1.50 -0.92 0.00 0.00 175.35 172.69 1nho s ILE 34 N -2.34 1.14 -0.45 2.17 1.10 -1.26 -3.82 121.20 117.73 1nho s ILE 34 Ca 0.63 -1.41 0.07 0.00 -0.51 0.00 0.00 60.65 59.42 1nho s ILE 34 Cb -0.13 -1.18 0.23 0.00 0.15 0.00 0.00 42.46 41.53 1nho s ILE 34 CO 0.26 -0.29 0.70 0.47 -2.11 0.00 0.00 174.94 173.97 1nho n ASP 35 N 1.07 -1.68 -4.67 4.50 9.92 0.13 -4.84 116.55 120.98 1nho n ASP 35 Ca -0.20 -2.97 -0.37 0.00 -0.53 0.00 0.00 54.79 50.72 1nho n ASP 35 Cb 0.55 0.76 -0.09 0.00 -0.64 0.00 0.00 41.12 41.70 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 0.00 5.29 -0.12 2.53 1.01 -1.22 -3.11 120.40 124.77 1nho s VAL 36 Ca 0.33 0.42 -0.02 0.00 0.00 0.00 0.00 61.98 62.71 1nho s VAL 36 Cb 0.17 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1nho s VAL 36 CO -0.17 0.30 -0.04 -1.61 0.00 0.00 0.00 175.10 173.57 1nho s GLU 37 N 1.17 3.36 -0.13 2.72 0.41 1.61 -4.79 118.70 123.05 1nho s GLU 37 Ca 0.13 -0.52 -0.03 0.00 -0.41 0.00 0.00 54.97 54.14 1nho s GLU 37 Cb -0.14 -2.81 0.05 0.00 -1.78 0.00 0.00 34.13 29.45 1nho s GLU 37 CO 0.06 0.40 0.06 -1.59 -0.49 0.00 0.00 175.26 173.69 1nho s LYS 38 N -0.07 0.23 0.00 1.61 0.00 -1.26 -1.14 119.74 119.12 1nho s LYS 38 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 55.97 55.98 1nho s LYS 38 Cb -0.13 -1.42 0.00 0.00 0.00 0.00 0.00 37.83 36.28 1nho s LYS 38 CO 0.03 -0.52 0.00 0.44 0.00 0.00 0.00 175.35 175.29 1nho n ILE 39 N 5.22 0.00 -3.39 3.79 -0.00 0.13 -4.88 119.36 120.23 1nho n ILE 39 Ca -0.06 0.00 -0.20 0.00 -0.00 0.00 0.00 62.75 62.48 1nho n ILE 39 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 39.64 40.13 1nho n ILE 39 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.55 178.06 1nho s ASP 40 N -0.02 5.16 -0.01 7.28 1.47 -1.26 -3.42 116.67 125.87 1nho s ASP 40 Ca 0.00 -0.73 -0.24 0.00 1.18 0.00 0.00 52.55 52.76 1nho s ASP 40 Cb 0.00 -0.36 -0.16 0.00 -0.34 0.00 0.00 42.92 42.06 1nho s ASP 40 CO 0.00 -0.83 1.12 -0.29 0.68 0.00 0.00 175.17 175.86 1nho h ILE 41 N 0.78 0.64 0.00 2.11 2.10 -1.30 0.32 117.51 122.16 1nho h ILE 41 Ca -0.39 -0.68 0.00 0.00 1.08 0.00 0.00 64.86 64.87 1nho h ILE 41 Cb 1.28 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 37.96 1nho h ILE 41 CO 0.52 0.12 0.00 1.15 -1.08 0.00 0.00 178.15 178.86 1nho n MET 42 N -5.11 0.20 -0.05 2.19 0.00 -1.26 -1.93 117.12 111.16 1nho n MET 42 Ca -0.09 0.02 -0.10 0.00 0.00 0.00 0.00 57.70 57.53 1nho n MET 42 Cb 0.27 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 31.95 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 -1.02 0.53 -2.16 3.17 0.24 -1.01 -4.71 118.33 113.36 1nho n VAL 43 Ca 0.05 -0.14 -0.36 0.00 -2.04 0.00 0.00 64.34 61.85 1nho n VAL 43 Cb 0.03 -1.56 0.02 0.00 -1.47 0.00 0.00 33.84 30.86 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 -3.37 6.62 0.00 -1.34 2.03 0.11 -4.71 116.55 115.89 1nho n ASP 44 Ca -0.19 -3.79 0.07 0.00 0.52 0.00 0.00 54.79 51.40 1nho n ASP 44 Cb 0.64 -0.89 0.41 0.00 -0.72 0.00 0.00 41.12 40.56 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 -0.48 0.56 0.16 -0.67 0.63 -0.82 -2.02 116.66 114.03 1nho n ARG 45 Ca 0.49 0.00 0.19 0.00 -0.92 0.00 0.00 57.85 57.60 1nho n ARG 45 Cb 0.36 -1.39 0.75 0.00 0.45 0.00 0.00 32.46 32.63 1nho n ARG 45 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1nho h GLU 46 N 0.00 0.00 -0.05 -0.14 4.39 -1.87 -2.31 114.58 114.60 1nho h GLU 46 Ca 0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1nho h GLU 46 Cb 0.00 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 1nho h GLU 46 CO 0.00 0.00 -0.37 -0.22 -1.16 0.00 0.00 179.01 177.26 1nho h LYS 47 N 0.00 -0.42 0.00 2.33 1.63 -1.80 0.46 116.57 118.77 1nho h LYS 47 Ca 0.14 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1nho h LYS 47 Cb 1.01 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1nho h LYS 47 CO -0.00 -0.28 0.30 0.00 -3.45 0.00 0.00 179.45 176.02 1nho n ALA 48 N -2.85 0.59 -0.18 5.00 0.00 -0.87 -3.57 120.51 118.64 1nho n ALA 48 Ca -0.05 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.61 1nho n ALA 48 Cb 0.27 -0.72 0.24 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.89 -0.23 -0.15 0.00 -5.35 0.16 0.64 119.36 112.55 1nho n ILE 49 Ca -0.01 1.14 -0.04 0.00 -0.27 0.00 0.00 62.75 63.57 1nho n ILE 49 Cb 0.31 -1.75 0.02 0.00 -1.74 0.00 0.00 39.64 36.49 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 -0.08 0.00 6.28 5.08 -1.77 -3.35 114.58 120.73 1nho h GLU 50 Ca 0.39 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1nho h GLU 50 Cb 0.94 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1nho h GLU 50 CO -0.46 -0.06 -0.71 2.48 -1.00 0.00 0.00 179.01 179.27 1nho n TYR 51 N -5.39 0.00 0.00 4.33 4.11 1.88 -4.99 117.16 117.10 1nho n TYR 51 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.94 1nho n TYR 51 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.64 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 2.43 0.10 0.00 -7.48 0.00 2.85 -4.68 105.19 98.41 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 1.47 0.00 0.00 0.00 173.32 174.79 1nho n LEU 53 N 0.00 0.00 -3.17 0.99 -0.00 -1.26 -2.17 117.00 111.38 1nho n LEU 53 Ca 0.00 0.43 -0.36 0.00 -0.00 0.00 0.00 56.01 56.08 1nho n LEU 53 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1nho n LEU 53 CO 0.00 0.00 3.20 0.23 -0.00 0.00 0.00 177.39 180.82 1nho n MET 54 N -0.65 3.55 -3.63 1.47 2.81 -1.26 -4.84 117.12 114.57 1nho n MET 54 Ca 0.00 -2.11 -0.40 0.00 -1.81 0.00 0.00 57.70 53.39 1nho n MET 54 Cb 0.00 -2.71 -0.10 0.00 -0.71 0.00 0.00 33.22 29.70 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 1.95 3.25 0.20 3.04 0.00 -0.92 -4.74 121.76 124.55 1nho s ALA 55 Ca 0.69 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 50.61 1nho s ALA 55 Cb 0.20 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.73 1nho s ALA 55 CO -0.06 -1.58 0.00 0.28 0.00 0.00 0.00 175.76 174.41 1nho n VAL 56 N 4.91 0.00 -3.81 0.00 0.31 -1.26 -4.92 118.33 113.55 1nho n VAL 56 Ca -0.10 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.86 1nho n VAL 56 Cb 0.44 -0.17 -0.13 0.00 -0.91 0.00 0.00 33.84 33.07 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 -1.54 3.22 0.35 5.55 0.04 -1.26 -4.03 135.00 137.33 1nho s PRO 57 Ca 0.00 -0.76 -0.17 0.00 0.04 0.00 0.00 61.00 60.11 1nho s PRO 57 Cb 0.00 -3.25 0.05 0.00 0.04 0.00 0.00 34.50 31.34 1nho s PRO 57 CO 0.00 -0.34 0.81 0.00 0.04 0.00 0.00 177.00 177.50 1nho s ALA 58 N 1.50 -0.90 -0.02 8.56 0.00 0.18 0.40 121.76 131.49 1nho s ALA 58 Ca 0.04 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 1nho s ALA 58 Cb -0.16 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1nho s ALA 58 CO 0.01 -1.00 0.05 0.42 0.00 0.00 0.00 175.76 175.24 1nho s ILE 59 N -2.52 0.01 0.21 0.00 1.09 -1.02 -0.28 121.20 118.70 1nho s ILE 59 Ca 0.15 -0.10 -0.09 0.00 -1.10 0.00 0.00 60.65 59.52 1nho s ILE 59 Cb -0.05 -0.11 -0.07 0.00 -1.06 0.00 0.00 42.46 41.17 1nho s ILE 59 CO 0.10 -0.05 0.52 0.00 -0.10 0.00 0.00 174.94 175.41 1nho s ALA 60 N -0.14 3.61 -0.51 9.38 0.00 0.41 -0.94 121.76 133.57 1nho s ALA 60 Ca -0.02 -0.32 -0.14 0.00 0.00 0.00 0.00 51.96 51.48 1nho s ALA 60 Cb -0.01 -2.38 0.11 0.00 0.00 0.00 0.00 23.12 20.84 1nho s ALA 60 CO 0.00 0.54 0.44 0.42 0.00 0.00 0.00 175.76 177.16 1nho s ILE 61 N -1.78 4.99 -0.80 0.00 1.01 1.78 -3.32 121.20 123.08 1nho s ILE 61 Ca 0.46 -1.45 -0.20 0.00 0.00 0.00 0.00 60.65 59.46 1nho s ILE 61 Cb -0.11 -4.15 -0.18 0.00 0.01 0.00 0.00 42.46 38.02 1nho s ILE 61 CO 0.22 -0.77 2.04 -3.20 0.00 0.00 0.00 174.94 173.23 1nho n ASN 62 N 5.16 0.55 0.00 3.58 4.05 -1.26 0.77 115.26 128.11 1nho n ASN 62 Ca -0.12 -1.72 0.00 0.00 0.45 0.00 0.00 54.58 53.19 1nho n ASN 62 Cb 0.41 -1.36 0.00 0.00 1.23 0.00 0.00 39.78 40.06 1nho n ASN 62 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1nho n GLY 63 N 6.01 1.49 1.34 8.20 0.00 -1.26 -4.00 105.19 116.96 1nho n GLY 63 Ca 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 0.79 0.00 1.61 0.24 0.23 -4.82 118.33 116.37 1nho n VAL 64 Ca 0.00 0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.56 1nho n VAL 64 Cb 0.00 -1.25 0.00 0.00 -1.47 0.00 0.00 33.84 31.12 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 -3.44 0.00 -3.59 3.34 0.31 -1.13 -4.91 118.33 108.90 1nho n VAL 65 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 1nho n VAL 65 Cb 0.03 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.94 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 1.63 0.90 0.28 5.55 3.52 -1.26 0.49 118.95 130.06 1nho s ARG 66 Ca 0.00 -0.40 -0.03 0.00 -0.13 0.00 0.00 55.73 55.17 1nho s ARG 66 Cb 0.00 0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 33.74 1nho s ARG 66 CO 0.00 -0.40 0.35 -0.59 -0.81 0.00 0.00 175.30 173.85 1nho s PHE 67 N -3.11 1.04 -0.35 5.12 -0.71 -0.11 -4.73 117.98 115.12 1nho s PHE 67 Ca 0.08 -1.24 -0.26 0.00 -1.04 0.00 0.00 56.93 54.46 1nho s PHE 67 Cb -0.01 -0.24 0.01 0.00 -1.21 0.00 0.00 43.02 41.57 1nho s PHE 67 CO -0.05 -0.93 0.94 0.08 -1.34 0.00 0.00 175.22 173.92 1nho s VAL 68 N -3.63 4.59 -0.29 -2.49 1.01 -1.26 -2.44 120.40 115.88 1nho s VAL 68 Ca 0.33 1.32 -0.13 0.00 0.00 0.00 0.00 61.98 63.49 1nho s VAL 68 Cb 0.02 -4.33 0.13 0.00 0.00 0.00 0.00 36.38 32.20 1nho s VAL 68 CO 0.17 -0.49 0.79 -0.83 0.00 0.00 0.00 175.10 174.74 1nho s GLY 69 N 1.80 -0.47 0.00 4.51 0.00 0.16 -4.89 107.32 108.43 1nho s GLY 69 Ca 0.39 2.66 0.00 0.00 0.00 0.00 0.00 44.72 47.77 1nho s GLY 69 CO 0.17 2.92 0.00 0.00 0.00 0.00 0.00 173.10 176.19 1nho n ALA 70 N 4.85 0.00 0.67 3.20 0.00 -1.19 0.07 120.51 128.11 1nho n ALA 70 Ca -0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.23 1nho n ALA 70 Cb 0.53 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.57 1.42 -3.62 0.00 -0.04 -1.26 -4.52 135.00 125.41 1nho n PRO 71 Ca 0.00 -0.50 -0.38 0.00 -0.04 0.00 0.00 63.50 62.58 1nho n PRO 71 Cb 0.00 -1.41 -0.07 0.00 -0.04 0.00 0.00 33.50 31.98 1nho n PRO 71 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1nho s SER 72 N 0.25 5.70 0.03 3.54 1.04 -1.26 -4.77 113.70 118.22 1nho s SER 72 Ca 0.09 -3.04 -0.16 0.00 0.48 0.00 0.00 55.95 53.32 1nho s SER 72 Cb 0.07 -1.94 -0.35 0.00 0.10 0.00 0.00 66.02 63.91 1nho s SER 72 CO 0.02 -0.36 1.00 0.03 0.98 0.00 0.00 173.24 174.91 1nho h ARG 73 N 6.92 0.54 -1.12 4.02 3.08 -1.86 -3.19 114.38 122.78 1nho h ARG 73 Ca 0.05 -0.89 0.32 0.00 0.07 0.00 0.00 59.98 59.53 1nho h ARG 73 Cb 0.94 0.33 -0.04 0.00 0.08 0.00 0.00 29.97 31.27 1nho h ARG 73 CO 0.75 1.43 0.93 1.49 -1.07 0.00 0.00 179.97 183.49 1nho h GLU 74 N 0.12 0.00 -0.60 0.04 4.81 -1.86 -0.00 114.58 117.09 1nho h GLU 74 Ca -0.24 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.09 1nho h GLU 74 Cb 2.11 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 31.41 1nho h GLU 74 CO 0.27 0.00 0.19 0.93 -0.73 0.00 0.00 179.01 179.66 1nho h GLU 75 N 0.00 0.34 -0.75 1.92 4.39 -1.93 0.50 114.58 119.05 1nho h GLU 75 Ca 0.53 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.22 1nho h GLU 75 Cb 2.38 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 30.91 1nho h GLU 75 CO -0.01 0.22 0.50 -0.07 -1.16 0.00 0.00 179.01 178.50 1nho h LEU 76 N 0.35 0.87 -1.51 1.33 4.07 -1.22 0.20 115.31 119.40 1nho h LEU 76 Ca 0.31 -0.02 0.07 0.00 0.08 0.00 0.00 57.88 58.31 1nho h LEU 76 Cb 0.41 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.90 1nho h LEU 76 CO -0.34 0.63 0.42 0.15 -1.08 0.00 0.00 178.44 178.22 1nho h PHE 77 N 1.02 0.61 0.02 1.13 3.04 -1.01 -0.13 116.94 121.62 1nho h PHE 77 Ca 0.28 0.02 -0.21 0.00 3.98 0.00 0.00 57.97 62.03 1nho h PHE 77 Cb -0.12 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.17 1nho h PHE 77 CO -0.02 0.32 -0.99 1.49 -2.02 0.00 0.00 178.31 177.08 1nho h GLU 78 N 0.59 0.08 -0.15 1.11 4.81 0.13 -3.23 114.58 117.92 1nho h GLU 78 Ca 0.28 -0.12 -0.20 0.00 -0.13 0.00 0.00 59.36 59.19 1nho h GLU 78 Cb 0.33 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1nho h GLU 78 CO -0.09 1.00 -0.73 0.00 -0.73 0.00 0.00 179.01 178.47 1nho h ALA 79 N 0.95 0.43 -0.68 2.92 0.00 0.91 0.76 119.26 124.56 1nho h ALA 79 Ca -0.04 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 1nho h ALA 79 Cb 1.71 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 1nho h ALA 79 CO 0.14 0.71 0.37 0.82 0.00 0.00 0.00 179.25 181.29 1nho h ILE 80 N 0.47 1.21 -0.08 0.00 5.03 -1.19 1.48 117.51 124.43 1nho h ILE 80 Ca -0.04 -0.54 -0.16 0.00 -0.12 0.00 0.00 64.86 64.01 1nho h ILE 80 Cb 1.33 0.32 -0.01 0.00 -3.03 0.00 0.00 36.82 35.43 1nho h ILE 80 CO 0.14 0.23 -0.63 -0.55 -0.68 0.00 0.00 178.15 176.67 1nho h ASN 81 N 0.94 0.34 -0.06 1.72 7.08 -1.57 0.09 115.58 124.13 1nho h ASN 81 Ca 0.24 -0.20 0.00 0.00 -3.08 0.00 0.00 56.30 53.26 1nho h ASN 81 Cb 0.04 -0.10 0.00 0.00 -2.08 0.00 0.00 38.32 36.18 1nho h ASN 81 CO -0.04 0.88 0.00 -0.67 -2.08 0.00 0.00 177.43 175.52 1nho n ASP 82 N -3.87 2.16 -0.06 6.14 2.03 0.26 -1.06 116.55 122.14 1nho n ASP 82 Ca -0.03 -1.73 -0.03 0.00 0.52 0.00 0.00 54.79 53.53 1nho n ASP 82 Cb 0.64 -0.03 -0.01 0.00 -0.72 0.00 0.00 41.12 41.00 1nho n ASP 82 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1nho h GLU 83 N 3.28 0.00 0.00 -0.67 4.57 0.23 -3.27 114.58 118.72 1nho h GLU 83 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1nho h GLU 83 Cb 0.70 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1nho h GLU 83 CO 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 179.01 177.85 1nho n MET 84 N -4.68 0.11 0.00 1.92 0.00 -0.01 -4.91 117.12 109.55 1nho n MET 84 Ca -0.05 0.38 0.00 0.00 0.00 0.00 0.00 57.70 58.03 1nho n MET 84 Cb 0.16 -1.72 0.00 0.00 0.00 0.00 0.00 33.22 31.66 1nho n MET 84 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06