#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwe s TYR 2 N 0.00 2.98 -0.00 0.00 2.02 -1.26 -1.48 117.35 119.61 1bwe s TYR 2 Ca 0.00 0.04 0.03 0.00 -0.37 0.00 0.00 57.07 56.77 1bwe s TYR 2 Cb 0.00 -1.67 -0.01 0.00 -0.40 0.00 0.00 41.96 39.88 1bwe s TYR 2 CO 0.00 0.39 -0.11 0.08 -1.57 0.00 0.00 175.55 174.35 1bwe s VAL 3 N -0.95 0.83 0.06 0.71 1.01 0.51 -4.64 120.40 117.93 1bwe s VAL 3 Ca 0.16 -0.52 -0.22 0.00 0.00 0.00 0.00 61.98 61.40 1bwe s VAL 3 Cb -0.11 -0.71 -0.13 0.00 0.00 0.00 0.00 36.38 35.43 1bwe s VAL 3 CO 0.06 0.18 1.54 0.16 0.00 0.00 0.00 175.10 177.03 1bwe h ILE 4 N 4.83 1.20 -1.50 2.22 -0.00 -1.86 -1.69 117.51 120.72 1bwe h ILE 4 Ca -0.32 -0.64 0.00 0.00 -0.00 0.00 0.00 64.86 63.90 1bwe h ILE 4 Cb 1.18 1.41 0.00 0.00 -0.00 0.00 0.00 36.82 39.41 1bwe h ILE 4 CO 0.48 0.19 0.00 0.35 -0.00 0.00 0.00 178.15 179.17 1bwe n THR 5 N -4.85 0.00 -0.02 0.16 -2.24 -1.26 -3.91 114.28 102.16 1bwe n THR 5 Ca -0.06 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.60 1bwe n THR 5 Cb 0.16 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.32 1bwe n THR 5 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1bwe h GLU 6 N 0.00 0.12 0.00 -0.78 4.81 -1.96 -3.28 114.58 113.48 1bwe h GLU 6 Ca 0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1bwe h GLU 6 Cb 0.00 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1bwe h GLU 6 CO 0.00 0.38 -0.03 -1.35 -0.73 0.00 0.00 179.01 177.29 1bwe h PRO 7 N -0.16 0.00 -0.51 0.92 0.11 -1.93 -0.57 132.00 129.85 1bwe h PRO 7 Ca 0.02 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.18 1bwe h PRO 7 Cb 0.33 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.41 1bwe h PRO 7 CO 0.00 0.03 0.34 0.00 -0.21 0.00 0.00 178.00 178.16 1bwe s ILE 9 N -5.47 3.58 -0.43 0.00 1.09 -0.23 -4.61 121.20 115.14 1bwe s ILE 9 Ca -0.08 -0.80 0.10 0.00 -1.10 0.00 0.00 60.65 58.77 1bwe s ILE 9 Cb 0.18 -4.45 0.36 0.00 -1.06 0.00 0.00 42.46 37.50 1bwe s ILE 9 CO 0.74 -1.11 0.84 0.61 -0.10 0.00 0.00 174.94 175.92 1bwe n GLY 10 N 6.20 4.08 7.00 6.18 0.00 -1.26 -5.12 105.19 122.27 1bwe n GLY 10 Ca 0.43 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1bwe n GLY 10 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1bwe n THR 11 N 0.05 0.00 -1.90 2.61 5.66 -1.26 -4.32 114.28 115.11 1bwe n THR 11 Ca 0.26 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 61.02 1bwe n THR 11 Cb 0.60 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.30 1bwe n THR 11 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1bwe s LYS 12 N 0.00 2.06 0.62 1.09 -0.14 -1.18 -4.46 119.74 117.72 1bwe s LYS 12 Ca 0.00 -0.79 -0.18 0.00 -1.36 0.00 0.00 55.97 53.64 1bwe s LYS 12 Cb 0.00 -5.13 -0.02 0.00 -1.68 0.00 0.00 37.83 31.00 1bwe s LYS 12 CO 0.00 -4.42 1.18 0.00 -0.76 0.00 0.00 175.35 171.35 1bwe n ALA 14 N -1.83 5.15 -3.27 0.00 0.00 -1.26 -4.93 120.51 114.37 1bwe n ALA 14 Ca 0.13 -4.00 -0.13 0.00 0.00 0.00 0.00 53.44 49.44 1bwe n ALA 14 Cb 0.50 -0.53 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 1bwe n ALA 14 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1bwe s SER 15 N -3.41 -0.33 -0.36 0.00 0.01 -1.26 -4.87 113.70 103.48 1bwe s SER 15 Ca 0.51 0.50 -0.00 0.00 1.31 0.00 0.00 55.95 58.27 1bwe s SER 15 Cb 0.41 0.59 0.00 0.00 0.21 0.00 0.00 66.02 67.23 1bwe s SER 15 CO -0.07 -0.27 0.30 0.00 0.41 0.00 0.00 173.24 173.61 1bwe n VAL 17 N -1.94 0.00 -0.50 0.00 0.31 -1.26 -4.83 118.33 110.10 1bwe n VAL 17 Ca -0.09 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.14 1bwe n VAL 17 Cb 0.55 -0.32 0.17 0.00 -0.91 0.00 0.00 33.84 33.34 1bwe n VAL 17 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1bwe n GLU 18 N -2.02 2.44 0.00 5.55 -0.00 -1.26 -4.46 120.64 120.89 1bwe n GLU 18 Ca 0.00 -2.15 0.00 0.00 -0.00 0.00 0.00 57.16 55.01 1bwe n GLU 18 Cb 0.11 -1.90 0.00 0.00 -0.00 0.00 0.00 31.44 29.66 1bwe n GLU 18 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1bwe n VAL 19 N -0.33 0.00 -1.68 3.84 3.14 -1.26 -5.10 118.33 116.94 1bwe n VAL 19 Ca 0.36 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.31 1bwe n VAL 19 Cb 1.21 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.96 1bwe n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1bwe h PRO 21 N 9.07 0.15 -2.69 0.00 0.11 -1.99 -3.30 132.00 133.35 1bwe h PRO 21 Ca -0.47 -0.01 -0.60 0.00 0.11 0.00 0.00 66.00 65.03 1bwe h PRO 21 Cb 1.23 -0.03 -0.39 0.00 0.11 0.00 0.00 31.00 31.91 1bwe h PRO 21 CO 0.94 0.10 -0.82 0.08 -0.21 0.00 0.00 178.00 178.09 1bwe s VAL 22 N -6.10 1.05 0.00 3.15 1.01 -1.26 -5.08 120.40 113.17 1bwe s VAL 22 Ca -0.13 -2.76 0.00 0.00 0.00 0.00 0.00 61.98 59.09 1bwe s VAL 22 Cb 0.21 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.87 1bwe s VAL 22 CO 0.75 -1.06 0.00 -0.67 0.00 0.00 0.00 175.10 174.12 1bwe n ASP 23 N 3.07 0.00 0.00 3.32 2.03 -1.24 -4.84 116.55 118.89 1bwe n ASP 23 Ca 0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1bwe n ASP 23 Cb 0.40 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 1bwe n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bwe s ILE 25 N -0.10 5.07 0.03 0.00 -5.25 -1.26 -0.51 121.20 119.18 1bwe s ILE 25 Ca 0.00 -1.02 0.07 0.00 -0.99 0.00 0.00 60.65 58.71 1bwe s ILE 25 Cb 0.00 -3.98 -0.02 0.00 2.95 0.00 0.00 42.46 41.40 1bwe s ILE 25 CO 0.00 -0.50 -0.19 -1.00 -1.79 0.00 0.00 174.94 171.46 1bwe s HIS 26 N 1.62 1.66 -0.19 1.37 3.76 0.19 -4.86 115.29 118.84 1bwe s HIS 26 Ca 0.04 -0.36 -0.29 0.00 -0.15 0.00 0.00 55.06 54.30 1bwe s HIS 26 Cb -0.23 -1.00 -0.01 0.00 1.11 0.00 0.00 32.58 32.45 1bwe s HIS 26 CO 0.07 0.06 1.33 -1.21 -0.85 0.00 0.00 174.74 174.14 1bwe s GLU 27 N -1.05 4.12 -1.31 1.40 2.02 -1.26 0.53 118.70 123.14 1bwe s GLU 27 Ca 0.06 1.60 -0.14 0.00 0.02 0.00 0.00 54.97 56.51 1bwe s GLU 27 Cb -0.08 -3.83 0.11 0.00 0.10 0.00 0.00 34.13 30.43 1bwe s GLU 27 CO 0.01 -0.86 1.82 0.41 0.02 0.00 0.00 175.26 176.66 1bwe n GLY 28 N 3.90 3.77 4.87 -1.39 0.00 0.40 -4.67 105.19 112.07 1bwe n GLY 28 Ca 0.15 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1bwe n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bwe n GLU 29 N 6.04 0.00 0.00 1.61 4.71 -1.26 -3.54 120.64 128.20 1bwe n GLU 29 Ca 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.60 1bwe n GLU 29 Cb 0.41 -0.04 0.00 0.00 -1.01 0.00 0.00 31.44 30.80 1bwe n GLU 29 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1bwe n ASP 30 N 1.66 0.12 -3.89 1.62 2.03 -1.26 -5.11 116.55 111.73 1bwe n ASP 30 Ca 0.00 -0.04 -0.11 0.00 0.52 0.00 0.00 54.79 55.16 1bwe n ASP 30 Cb 0.00 0.10 -0.11 0.00 -0.72 0.00 0.00 41.12 40.39 1bwe n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bwe s GLN 31 N -0.12 0.33 0.22 -0.67 1.03 -1.23 -3.13 119.66 116.09 1bwe s GLN 31 Ca 0.00 -0.29 -0.30 0.00 0.04 0.00 0.00 55.36 54.81 1bwe s GLN 31 Cb 0.00 0.14 -0.09 0.00 0.03 0.00 0.00 33.01 33.09 1bwe s GLN 31 CO 0.00 -0.07 1.27 0.71 -2.54 0.00 0.00 175.29 174.67 1bwe s TYR 32 N -0.98 3.28 -0.11 9.60 1.51 -1.26 -0.45 117.35 128.93 1bwe s TYR 32 Ca -0.11 1.32 0.03 0.00 -1.01 0.00 0.00 57.07 57.31 1bwe s TYR 32 Cb -0.06 -3.56 0.00 0.00 -0.11 0.00 0.00 41.96 38.23 1bwe s TYR 32 CO 0.00 -1.66 -0.23 0.71 -1.11 0.00 0.00 175.55 173.26 1bwe s TYR 33 N -0.21 2.60 -0.20 2.71 1.51 0.19 -4.82 117.35 119.11 1bwe s TYR 33 Ca 0.54 -1.11 -0.17 0.00 -1.01 0.00 0.00 57.07 55.32 1bwe s TYR 33 Cb -0.36 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 1bwe s TYR 33 CO 0.40 -0.46 0.44 0.42 -1.11 0.00 0.00 175.55 175.24 1bwe s ILE 34 N 0.46 5.17 -0.17 2.71 1.01 -1.26 -0.63 121.20 128.49 1bwe s ILE 34 Ca -0.16 0.79 -0.29 0.00 0.00 0.00 0.00 60.65 60.99 1bwe s ILE 34 Cb -0.17 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1bwe s ILE 34 CO 0.06 0.23 1.69 -0.62 0.00 0.00 0.00 174.94 176.30 1bwe s ASP 35 N 1.09 6.38 0.49 3.58 -1.08 0.33 -4.85 116.67 122.61 1bwe s ASP 35 Ca 0.21 1.85 0.28 0.00 -0.52 0.00 0.00 52.55 54.36 1bwe s ASP 35 Cb -0.15 -2.53 0.85 0.00 -1.46 0.00 0.00 42.92 39.63 1bwe s ASP 35 CO 0.09 -1.22 1.80 1.55 0.52 0.00 0.00 175.17 177.90 1bwe h PRO 36 N 10.77 0.00 0.01 4.34 0.13 -1.82 -0.80 132.00 144.63 1bwe h PRO 36 Ca -0.36 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.48 1bwe h PRO 36 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1bwe h PRO 36 CO 0.98 0.03 -1.60 -0.44 -0.23 0.00 0.00 178.00 176.73 1bwe h ASP 37 N 0.00 0.03 0.15 1.44 3.32 -1.91 -3.34 116.42 116.12 1bwe h ASP 37 Ca -0.00 -0.06 -0.27 0.00 0.02 0.00 0.00 57.03 56.72 1bwe h ASP 37 Cb 0.77 -0.01 0.02 0.00 0.22 0.00 0.00 39.33 40.32 1bwe h ASP 37 CO 0.00 1.06 -1.08 0.58 -1.72 0.00 0.00 179.24 178.08 1bwe h VAL 38 N 0.01 1.32 -4.04 -1.35 2.07 -1.94 -3.46 116.25 108.87 1bwe h VAL 38 Ca -0.25 -2.39 -0.54 0.00 0.82 0.00 0.00 66.70 64.34 1bwe h VAL 38 Cb 1.98 2.50 0.12 0.00 -1.52 0.00 0.00 31.29 34.36 1bwe h VAL 38 CO 0.09 0.73 0.59 0.00 0.02 0.00 0.00 177.57 179.00 1bwe n ILE 40 N -0.90 2.41 -4.13 0.00 -5.35 -1.26 -4.74 119.36 105.39 1bwe n ILE 40 Ca 0.10 -3.96 -0.33 0.00 -0.27 0.00 0.00 62.75 58.29 1bwe n ILE 40 Cb 0.45 -0.86 -0.02 0.00 -1.74 0.00 0.00 39.64 37.47 1bwe n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1bwe n ASP 41 N -0.78 -2.80 -4.83 7.28 8.00 -1.26 -4.94 116.55 117.22 1bwe n ASP 41 Ca 0.37 -0.98 -0.31 0.00 0.71 0.00 0.00 54.79 54.59 1bwe n ASP 41 Cb 0.91 -2.96 0.06 0.00 -0.02 0.00 0.00 41.12 39.10 1bwe n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bwe n GLY 43 N -2.17 5.12 3.46 0.00 0.00 -1.26 -4.82 105.19 105.52 1bwe n GLY 43 Ca 0.07 -2.03 -0.14 0.00 0.00 0.00 0.00 46.02 43.92 1bwe n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwe s ALA 44 N -0.80 -1.66 0.00 4.61 0.00 -1.26 -4.96 121.76 117.68 1bwe s ALA 44 Ca 0.53 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1bwe s ALA 44 Cb 0.17 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1bwe s ALA 44 CO -0.08 -0.61 0.00 0.00 0.00 0.00 0.00 175.76 175.06 1bwe n GLU 46 N 0.00 -0.38 0.00 0.00 -0.00 -1.26 -0.46 120.64 118.55 1bwe n GLU 46 Ca 0.00 1.37 0.13 0.00 -0.00 0.00 0.00 57.16 58.66 1bwe n GLU 46 Cb 0.00 -2.02 0.44 0.00 -0.00 0.00 0.00 31.44 29.86 1bwe n GLU 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bwe n ALA 47 N -3.35 2.89 0.03 -1.84 0.00 -1.26 -3.88 120.51 113.10 1bwe n ALA 47 Ca 0.03 -0.21 -0.14 0.00 0.00 0.00 0.00 53.44 53.11 1bwe n ALA 47 Cb 0.25 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 1bwe n ALA 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bwe h VAL 48 N 0.00 1.34 -1.99 0.00 2.07 -1.14 -3.43 116.25 113.10 1bwe h VAL 48 Ca 0.00 -2.14 -0.59 0.00 0.82 0.00 0.00 66.70 64.79 1bwe h VAL 48 Cb 0.51 2.14 0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1bwe h VAL 48 CO 0.00 0.66 1.34 0.00 0.02 0.00 0.00 177.57 179.58 1bwe n PRO 50 N 7.94 0.07 -0.01 0.00 -0.04 -1.26 -0.55 135.00 141.15 1bwe n PRO 50 Ca 0.27 0.26 0.10 0.00 -0.04 0.00 0.00 63.50 64.09 1bwe n PRO 50 Cb 0.38 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.18 1bwe n PRO 50 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1bwe n VAL 51 N -1.38 0.11 -3.64 0.52 0.24 -1.26 -5.02 118.33 107.89 1bwe n VAL 51 Ca 0.03 -0.52 -0.22 0.00 -2.04 0.00 0.00 64.34 61.60 1bwe n VAL 51 Cb 0.09 -0.05 0.04 0.00 -1.47 0.00 0.00 33.84 32.45 1bwe n VAL 51 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1bwe n SER 52 N -2.31 -2.13 0.06 -1.34 7.64 0.29 -4.92 113.62 110.90 1bwe n SER 52 Ca -0.05 -0.82 -0.08 0.00 1.01 0.00 0.00 58.87 58.93 1bwe n SER 52 Cb 0.60 -4.14 -0.12 0.00 -1.01 0.00 0.00 64.21 59.53 1bwe n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwe h ALA 53 N 0.78 0.36 -2.32 -0.43 0.00 -1.86 -3.45 119.26 112.34 1bwe h ALA 53 Ca -0.62 -0.96 -0.54 0.00 0.00 0.00 0.00 54.91 52.79 1bwe h ALA 53 Cb 1.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1bwe h ALA 53 CO 0.54 1.25 1.11 0.42 0.00 0.00 0.00 179.25 182.57 1bwe s ILE 54 N -2.69 3.33 0.22 0.00 1.01 -1.25 -4.65 121.20 117.16 1bwe s ILE 54 Ca -0.00 0.48 0.04 0.00 0.00 0.00 0.00 60.65 61.16 1bwe s ILE 54 Cb 0.09 -3.31 -0.05 0.00 0.01 0.00 0.00 42.46 39.21 1bwe s ILE 54 CO 0.83 -0.04 -0.03 -0.31 0.00 0.00 0.00 174.94 175.39 1bwe s TYR 55 N 3.91 1.54 0.59 3.97 2.02 -0.64 -4.93 117.35 123.81 1bwe s TYR 55 Ca 0.78 -0.86 -0.19 0.00 -0.37 0.00 0.00 57.07 56.43 1bwe s TYR 55 Cb -0.37 -0.87 -0.04 0.00 -0.40 0.00 0.00 41.96 40.29 1bwe s TYR 55 CO 0.33 0.02 1.20 -1.01 -1.57 0.00 0.00 175.55 174.52 1bwe s HIS 56 N -3.35 2.42 0.25 2.71 3.76 -1.26 -0.36 115.29 119.46 1bwe s HIS 56 Ca 0.26 1.52 -0.03 0.00 -0.15 0.00 0.00 55.06 56.66 1bwe s HIS 56 Cb 0.05 -3.46 0.51 0.00 1.11 0.00 0.00 32.58 30.79 1bwe s HIS 56 CO 0.07 -2.13 1.73 0.93 -0.85 0.00 0.00 174.74 174.49 1bwe h GLU 57 N 0.92 0.45 0.00 1.40 5.08 -1.59 0.32 114.58 121.15 1bwe h GLU 57 Ca -0.50 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 57.77 1bwe h GLU 57 Cb 1.29 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1bwe h GLU 57 CO 0.55 0.30 -0.30 0.38 -1.00 0.00 0.00 179.01 178.94 1bwe h ASP 58 N 0.46 0.00 0.41 1.42 2.03 -1.91 -3.21 116.42 115.63 1bwe h ASP 58 Ca 0.44 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 56.43 1bwe h ASP 58 Cb 0.69 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.20 1bwe h ASP 58 CO -0.42 0.30 -1.49 0.15 -1.03 0.00 0.00 179.24 176.75 1bwe h PHE 59 N 0.00 0.62 -1.89 4.15 3.04 -0.80 -3.45 116.94 118.61 1bwe h PHE 59 Ca -0.00 -0.45 -0.65 0.00 3.98 0.00 0.00 57.97 60.85 1bwe h PHE 59 Cb 0.53 -0.02 0.05 0.00 2.56 0.00 0.00 35.95 39.07 1bwe h PHE 59 CO 0.00 1.44 0.63 0.28 -2.02 0.00 0.00 178.31 178.64 1bwe n VAL 60 N -3.55 0.04 -1.61 1.41 0.31 -0.19 -4.91 118.33 109.84 1bwe n VAL 60 Ca -0.16 -0.01 -0.39 0.00 -0.01 0.00 0.00 64.34 63.78 1bwe n VAL 60 Cb 1.06 -1.13 0.04 0.00 -0.91 0.00 0.00 33.84 32.90 1bwe n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1bwe n PRO 61 N 3.18 1.03 -0.30 5.55 -0.02 -1.26 -4.55 135.00 138.63 1bwe n PRO 61 Ca 0.19 0.39 0.12 0.00 -2.02 0.00 0.00 63.50 62.18 1bwe n PRO 61 Cb 0.22 -2.14 0.28 0.00 -0.02 0.00 0.00 33.50 31.84 1bwe n PRO 61 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1bwe h GLU 62 N 0.76 0.20 -0.81 -0.52 3.07 -1.94 0.43 114.58 115.78 1bwe h GLU 62 Ca -0.48 -0.01 0.19 0.00 -0.50 0.00 0.00 59.36 58.56 1bwe h GLU 62 Cb 1.36 -0.05 -0.12 0.00 -0.84 0.00 0.00 28.75 29.10 1bwe h GLU 62 CO 0.52 0.14 0.27 0.93 -1.40 0.00 0.00 179.01 179.46 1bwe h GLU 63 N 0.21 0.31 -0.02 2.33 3.07 -2.03 -1.79 114.58 116.66 1bwe h GLU 63 Ca 0.54 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1bwe h GLU 63 Cb 1.08 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 1bwe h GLU 63 CO -0.65 0.21 -0.02 0.91 -1.40 0.00 0.00 179.01 178.05 1bwe n TRP 64 N -5.12 0.00 0.04 4.33 8.01 0.12 -3.95 117.44 120.88 1bwe n TRP 64 Ca 0.18 0.00 0.19 0.00 -1.31 0.00 0.00 57.50 56.55 1bwe n TRP 64 Cb 0.55 -0.00 0.69 0.00 -2.01 0.00 0.00 31.31 30.54 1bwe n TRP 64 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.69 177.55 1bwe h LYS 65 N 3.91 0.00 -0.87 -0.99 6.56 0.20 0.20 116.57 125.58 1bwe h LYS 65 Ca 0.00 0.00 0.23 0.00 -1.06 0.00 0.00 60.65 59.82 1bwe h LYS 65 Cb 0.84 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.36 1bwe h LYS 65 CO 0.00 0.00 0.20 0.77 -2.06 0.00 0.00 179.45 178.36 1bwe h SER 66 N 0.00 -0.07 -0.12 0.86 0.02 -1.70 0.19 113.55 112.73 1bwe h SER 66 Ca 0.21 0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 61.28 1bwe h SER 66 Cb 0.86 0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1bwe h SER 66 CO -0.00 -0.18 -0.18 1.88 -1.14 0.00 0.00 176.83 177.21 1bwe h TYR 67 N 0.18 0.56 -0.56 3.45 0.05 -0.88 -0.44 116.97 119.32 1bwe h TYR 67 Ca 0.54 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 59.22 1bwe h TYR 67 Cb 1.09 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.65 1bwe h TYR 67 CO -0.30 0.66 0.33 0.82 -1.05 0.00 0.00 178.16 178.63 1bwe h ILE 68 N 0.46 1.17 0.07 -2.88 5.03 -0.65 0.28 117.51 120.99 1bwe h ILE 68 Ca 0.08 -0.41 0.01 0.00 -0.12 0.00 0.00 64.86 64.41 1bwe h ILE 68 Cb 0.58 0.43 -0.01 0.00 -3.03 0.00 0.00 36.82 34.78 1bwe h ILE 68 CO 0.04 0.18 -0.09 -0.61 -0.68 0.00 0.00 178.15 177.00 1bwe h GLN 69 N 0.76 -0.18 -0.80 2.37 -0.00 -1.06 -0.25 115.11 115.95 1bwe h GLN 69 Ca 0.20 0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.89 1bwe h GLN 69 Cb 0.01 0.04 -0.05 0.00 0.00 0.00 0.00 27.48 27.48 1bwe h GLN 69 CO -0.04 -0.12 0.52 -0.22 0.00 0.00 0.00 178.83 178.98 1bwe h LYS 70 N -0.18 1.01 -0.57 1.69 1.63 -0.31 0.47 116.57 120.30 1bwe h LYS 70 Ca 0.01 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1bwe h LYS 70 Cb 0.19 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 1bwe h LYS 70 CO -0.04 0.67 0.36 -0.91 -3.45 0.00 0.00 179.45 176.08 1bwe h ASN 71 N 1.04 0.67 0.29 4.20 2.35 -0.34 0.97 115.58 124.76 1bwe h ASN 71 Ca 0.31 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1bwe h ASN 71 Cb -0.04 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1bwe h ASN 71 CO -0.09 0.51 -0.32 -0.09 -1.65 0.00 0.00 177.43 175.79 1bwe h ARG 72 N 0.77 -0.63 -0.55 0.81 9.65 -0.08 -3.30 114.38 121.05 1bwe h ARG 72 Ca 0.21 0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 59.07 1bwe h ARG 72 Cb -0.05 0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 1bwe h ARG 72 CO -0.04 -0.42 0.09 0.22 2.80 0.00 0.00 179.97 182.62 1bwe h ASP 73 N -0.65 0.86 -0.80 -3.80 3.58 -0.75 -3.32 116.42 111.55 1bwe h ASP 73 Ca -0.01 -0.26 0.13 0.00 0.42 0.00 0.00 57.03 57.31 1bwe h ASP 73 Cb 0.61 -0.23 -0.13 0.00 1.72 0.00 0.00 39.33 41.30 1bwe h ASP 73 CO -0.08 0.90 -0.30 0.49 -2.88 0.00 0.00 179.24 177.37 1bwe n PHE 74 N -4.36 0.04 0.30 0.28 3.72 0.32 -0.98 117.46 116.78 1bwe n PHE 74 Ca 0.02 0.98 0.09 0.00 -0.05 0.00 0.00 57.45 58.49 1bwe n PHE 74 Cb 0.26 -0.81 0.15 0.00 -0.94 0.00 0.00 39.48 38.14 1bwe n PHE 74 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1bwe n PHE 75 N -5.18 0.32 -3.63 1.38 3.72 -1.25 -4.69 117.46 108.12 1bwe n PHE 75 Ca 0.09 -0.22 -0.36 0.00 -0.05 0.00 0.00 57.45 56.91 1bwe n PHE 75 Cb 0.33 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.80 1bwe n PHE 75 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1bwe n LYS 76 N 1.05 2.67 0.00 -1.08 4.01 -0.16 -5.18 118.16 119.47 1bwe n LYS 76 Ca 0.14 -4.48 0.00 0.00 -0.51 0.00 0.00 58.31 53.46 1bwe n LYS 76 Cb 0.48 -2.41 0.00 0.00 -0.51 0.00 0.00 35.03 32.59 1bwe n LYS 76 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46