#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 3.56 0.01 0.00 1.51 -1.26 -1.52 117.35 119.65 1bwe s TYR 2 Ca 0.00 0.89 0.01 0.00 -1.01 0.00 0.00 57.07 56.96 1bwe s TYR 2 Cb 0.00 -2.25 -0.01 0.00 -0.11 0.00 0.00 41.96 39.59 1bwe s TYR 2 CO 0.00 0.44 -0.03 0.08 -1.11 0.00 0.00 175.55 174.92 1bwe s VAL 3 N -1.51 0.24 0.27 0.71 1.01 0.59 -4.44 120.40 117.27 1bwe s VAL 3 Ca 0.38 -0.38 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 1bwe s VAL 3 Cb -0.14 -0.26 -0.09 0.00 0.00 0.00 0.00 36.38 35.90 1bwe s VAL 3 CO 0.19 -0.09 0.91 -0.63 0.00 0.00 0.00 175.10 175.48 1bwe s ILE 4 N -0.47 4.20 0.21 2.22 1.01 -1.26 -1.44 121.20 125.67 1bwe s ILE 4 Ca -0.03 1.87 0.02 0.00 0.00 0.00 0.00 60.65 62.51 1bwe s ILE 4 Cb -0.04 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1bwe s ILE 4 CO -0.00 0.32 0.03 0.42 0.00 0.00 0.00 174.94 175.71 1bwe s THR 5 N -1.39 0.71 0.00 2.92 -4.23 -1.06 -4.89 115.64 107.70 1bwe s THR 5 Ca 0.45 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1bwe s THR 5 Cb -0.22 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.29 1bwe s THR 5 CO 0.27 -0.29 0.00 1.21 -0.54 0.00 0.00 174.62 175.27 1bwe n GLU 6 N -0.35 0.00 0.34 3.99 2.13 -1.26 -0.78 120.64 124.71 1bwe n GLU 6 Ca -0.04 0.00 0.21 0.00 0.66 0.00 0.00 57.16 57.99 1bwe n GLU 6 Cb 0.64 0.00 1.12 0.00 0.27 0.00 0.00 31.44 33.47 1bwe n GLU 6 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1bwe h PRO 7 N 0.00 0.00 -0.61 5.31 0.11 -1.98 -0.25 132.00 134.58 1bwe h PRO 7 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1bwe h PRO 7 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 1bwe h PRO 7 CO 0.00 0.00 0.34 0.00 -0.21 0.00 0.00 178.00 178.13 1bwe n ILE 9 N -4.39 0.00 0.00 0.00 5.41 -0.11 -4.86 119.36 115.41 1bwe n ILE 9 Ca 0.06 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1bwe n ILE 9 Cb 0.09 -0.50 0.00 0.00 -0.71 0.00 0.00 39.64 38.52 1bwe n ILE 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1bwe n GLY 10 N 6.43 1.07 3.53 7.39 0.00 -0.01 -5.01 105.19 118.59 1bwe n GLY 10 Ca 0.48 0.33 -0.37 0.00 0.00 0.00 0.00 46.02 46.46 1bwe n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bwe n THR 11 N -0.00 -0.06 -3.90 2.61 -1.04 -1.26 -3.26 114.28 107.36 1bwe n THR 11 Ca 0.00 -0.56 -0.33 0.00 -2.04 0.00 0.00 64.05 61.12 1bwe n THR 11 Cb 0.00 -2.08 0.01 0.00 -1.82 0.00 0.00 70.33 66.44 1bwe n THR 11 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1bwe n LYS 12 N 8.82 -1.65 -1.66 -2.82 4.01 -1.26 -4.86 118.16 118.73 1bwe n LYS 12 Ca 0.46 0.33 -0.28 0.00 -0.51 0.00 0.00 58.31 58.32 1bwe n LYS 12 Cb 0.39 -3.87 -0.05 0.00 -0.51 0.00 0.00 35.03 30.99 1bwe n LYS 12 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bwe n ALA 14 N 16.35 4.04 0.09 0.00 0.00 -1.26 -4.41 120.51 135.32 1bwe n ALA 14 Ca 0.39 -4.08 0.00 0.00 0.00 0.00 0.00 53.44 49.74 1bwe n ALA 14 Cb 0.50 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.66 1bwe n ALA 14 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bwe n SER 15 N 6.48 0.51 -3.52 0.00 7.64 -1.26 -4.86 113.62 118.61 1bwe n SER 15 Ca 0.43 0.29 -0.38 0.00 1.01 0.00 0.00 58.87 60.22 1bwe n SER 15 Cb 0.43 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.60 1bwe n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwe n VAL 17 N 5.10 0.00 0.43 0.00 0.24 -1.26 -4.83 118.33 118.01 1bwe n VAL 17 Ca 0.52 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.82 1bwe n VAL 17 Cb 0.32 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 1bwe n VAL 17 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1bwe n GLU 18 N 0.00 0.43 0.09 7.34 0.00 -1.26 -2.27 120.64 124.96 1bwe n GLU 18 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.14 1bwe n GLU 18 Cb 0.00 -1.22 -0.05 0.00 0.00 0.00 0.00 31.44 30.17 1bwe n GLU 18 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 1bwe h VAL 19 N 0.06 1.13 -2.76 3.84 -1.51 -1.92 -3.46 116.25 111.63 1bwe h VAL 19 Ca 0.00 -2.66 -0.54 0.00 -1.23 0.00 0.00 66.70 62.27 1bwe h VAL 19 Cb 0.24 2.54 0.01 0.00 -2.13 0.00 0.00 31.29 31.94 1bwe h VAL 19 CO 0.00 0.65 0.95 0.00 -1.23 0.00 0.00 177.57 177.94 1bwe h PRO 21 N 8.36 0.20 0.00 0.00 0.11 -1.93 -2.89 132.00 135.84 1bwe h PRO 21 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1bwe h PRO 21 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1bwe h PRO 21 CO 0.92 0.13 -0.03 1.33 -0.21 0.00 0.00 178.00 180.14 1bwe n VAL 22 N -5.24 1.11 -2.34 3.15 0.24 -1.26 -5.09 118.33 108.91 1bwe n VAL 22 Ca 0.19 -1.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.27 1bwe n VAL 22 Cb 0.63 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 1bwe n VAL 22 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bwe n ASP 23 N -0.70 -9.61 0.00 -1.34 2.03 -1.09 -5.03 116.55 100.81 1bwe n ASP 23 Ca 0.05 1.83 0.00 0.00 0.52 0.00 0.00 54.79 57.19 1bwe n ASP 23 Cb 0.42 -5.26 0.00 0.00 -0.72 0.00 0.00 41.12 35.56 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 -0.09 4.72 0.25 0.00 -5.25 -1.26 -0.58 121.20 118.99 1bwe s ILE 25 Ca 0.00 -0.52 0.03 0.00 -0.99 0.00 0.00 60.65 59.17 1bwe s ILE 25 Cb 0.00 -3.48 -0.05 0.00 2.95 0.00 0.00 42.46 41.87 1bwe s ILE 25 CO 0.00 -0.04 0.02 -1.00 -1.79 0.00 0.00 174.94 172.13 1bwe s HIS 26 N 1.62 1.63 0.53 1.37 3.76 0.39 -4.92 115.29 119.66 1bwe s HIS 26 Ca 0.04 -0.97 0.07 0.00 -0.15 0.00 0.00 55.06 54.05 1bwe s HIS 26 Cb -0.18 -0.97 0.04 0.00 1.11 0.00 0.00 32.58 32.58 1bwe s HIS 26 CO 0.07 -0.08 0.49 -1.21 -0.85 0.00 0.00 174.74 173.17 1bwe s GLU 27 N -3.90 2.31 0.00 1.40 2.02 -1.26 0.69 118.70 119.96 1bwe s GLU 27 Ca 0.31 -1.85 0.00 0.00 0.02 0.00 0.00 54.97 53.45 1bwe s GLU 27 Cb 0.07 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 32.02 1bwe s GLU 27 CO 0.11 -0.61 0.00 0.41 0.02 0.00 0.00 175.26 175.19 1bwe n GLY 28 N -1.85 -0.03 0.00 -1.39 0.00 -1.26 -4.85 105.19 95.82 1bwe n GLY 28 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.84 0.00 -2.83 1.61 4.71 -1.26 -5.05 120.64 115.98 1bwe n GLU 29 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.04 1bwe n GLU 29 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 31.44 30.46 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 0.00 0.54 -2.72 1.62 2.03 -1.26 -4.96 116.55 111.79 1bwe n ASP 30 Ca 0.00 -2.85 -0.07 0.00 0.52 0.00 0.00 54.79 52.40 1bwe n ASP 30 Cb 0.00 -0.17 0.02 0.00 -0.72 0.00 0.00 41.12 40.26 1bwe n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bwe n GLN 31 N 0.01 0.90 -4.02 -0.67 -0.00 -1.26 -0.83 117.38 111.50 1bwe n GLN 31 Ca 0.12 -1.82 -0.22 0.00 -0.00 0.00 0.00 57.00 55.08 1bwe n GLN 31 Cb 0.77 2.31 -0.05 0.00 -0.00 0.00 0.00 30.24 33.26 1bwe n GLN 31 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1bwe s TYR 32 N -2.78 2.81 -0.09 2.61 1.51 -1.26 -4.31 117.35 115.84 1bwe s TYR 32 Ca 0.16 -0.32 -0.02 0.00 -1.01 0.00 0.00 57.07 55.89 1bwe s TYR 32 Cb -0.04 -1.63 0.03 0.00 -0.11 0.00 0.00 41.96 40.21 1bwe s TYR 32 CO 0.09 0.33 0.01 0.71 -1.11 0.00 0.00 175.55 175.58 1bwe s TYR 33 N -2.35 0.70 -0.15 2.71 2.02 0.22 -4.76 117.35 115.73 1bwe s TYR 33 Ca 0.38 -0.25 -0.20 0.00 -0.37 0.00 0.00 57.07 56.62 1bwe s TYR 33 Cb -0.04 -0.83 -0.03 0.00 -0.40 0.00 0.00 41.96 40.66 1bwe s TYR 33 CO 0.24 -0.37 0.57 0.42 -1.57 0.00 0.00 175.55 174.84 1bwe s ILE 34 N 1.96 5.10 -0.21 2.71 1.01 -1.26 -0.46 121.20 130.05 1bwe s ILE 34 Ca 0.04 1.11 -0.29 0.00 0.00 0.00 0.00 60.65 61.51 1bwe s ILE 34 Cb -0.13 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1bwe s ILE 34 CO -0.06 0.22 1.78 -0.62 0.00 0.00 0.00 174.94 176.27 1bwe s ASP 35 N 0.92 6.15 0.37 3.58 -1.08 0.25 -4.81 116.67 122.05 1bwe s ASP 35 Ca 0.28 1.71 0.11 0.00 -0.52 0.00 0.00 52.55 54.14 1bwe s ASP 35 Cb -0.16 -2.53 0.71 0.00 -1.46 0.00 0.00 42.92 39.48 1bwe s ASP 35 CO 0.12 -1.43 1.83 1.55 0.52 0.00 0.00 175.17 177.76 1bwe h PRO 36 N 11.78 0.09 0.00 4.34 0.13 -1.80 -0.24 132.00 146.29 1bwe h PRO 36 Ca -0.37 -0.03 -0.19 0.00 -0.87 0.00 0.00 66.00 64.55 1bwe h PRO 36 Cb 1.18 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1bwe h PRO 36 CO 0.99 0.40 -1.02 -0.44 -0.23 0.00 0.00 178.00 177.71 1bwe h ASP 37 N 0.08 0.00 0.65 1.44 3.32 -1.92 -3.23 116.42 116.76 1bwe h ASP 37 Ca 0.01 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.79 1bwe h ASP 37 Cb 0.61 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1bwe h ASP 37 CO 0.04 0.81 -1.43 0.58 -1.72 0.00 0.00 179.24 177.52 1bwe h VAL 38 N 0.00 1.21 -2.49 -1.35 2.07 -1.92 -3.46 116.25 110.30 1bwe h VAL 38 Ca -0.07 -2.97 -0.55 0.00 0.82 0.00 0.00 66.70 63.94 1bwe h VAL 38 Cb 1.67 2.64 0.06 0.00 -1.52 0.00 0.00 31.29 34.15 1bwe h VAL 38 CO 0.09 0.74 0.93 0.00 0.02 0.00 0.00 177.57 179.35 1bwe n ILE 40 N 3.76 3.17 -4.21 0.00 -5.35 -1.26 -4.71 119.36 110.76 1bwe n ILE 40 Ca 0.16 -2.48 -0.34 0.00 -0.27 0.00 0.00 62.75 59.82 1bwe n ILE 40 Cb 0.32 -0.66 -0.03 0.00 -1.74 0.00 0.00 39.64 37.53 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 -1.06 -2.33 0.21 7.28 8.00 -1.26 -4.86 116.55 122.53 1bwe n ASP 41 Ca 0.55 -1.05 0.09 0.00 0.71 0.00 0.00 54.79 55.10 1bwe n ASP 41 Cb 1.25 -2.64 0.39 0.00 -0.02 0.00 0.00 41.12 40.11 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 0.36 0.28 5.00 0.00 0.00 -1.26 -4.97 105.19 104.59 1bwe n GLY 43 Ca 0.01 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1bwe n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwe n ALA 44 N 7.64 0.00 -0.17 4.61 0.00 -1.26 -4.41 120.51 126.92 1bwe n ALA 44 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1bwe n ALA 44 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1bwe n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bwe h GLU 46 N 0.02 -0.02 -0.06 0.00 4.11 -1.92 -0.13 114.58 116.58 1bwe h GLU 46 Ca 0.25 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.51 1bwe h GLU 46 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1bwe h GLU 46 CO -0.52 -0.01 -0.72 0.00 0.07 0.00 0.00 179.01 177.83 1bwe h ALA 47 N 1.35 0.66 -0.64 1.06 0.00 -1.28 -3.18 119.26 117.23 1bwe h ALA 47 Ca 0.34 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1bwe h ALA 47 Cb 0.60 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1bwe h ALA 47 CO -0.95 0.78 0.23 0.28 0.00 0.00 0.00 179.25 179.59 1bwe h VAL 48 N 0.21 1.23 -2.60 0.00 2.07 0.62 -3.38 116.25 114.40 1bwe h VAL 48 Ca -0.03 -0.75 -0.56 0.00 0.82 0.00 0.00 66.70 66.18 1bwe h VAL 48 Cb 1.28 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1bwe h VAL 48 CO 0.12 0.30 1.28 0.00 0.02 0.00 0.00 177.57 179.28 1bwe n PRO 50 N 8.51 0.63 -0.01 0.00 -0.04 -1.26 -1.22 135.00 141.61 1bwe n PRO 50 Ca 0.22 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1bwe n PRO 50 Cb 0.48 -1.04 -0.02 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.41 0.12 -3.24 0.52 0.24 -1.26 -5.05 118.33 109.25 1bwe n VAL 51 Ca 0.00 -0.10 -0.15 0.00 -2.04 0.00 0.00 64.34 62.05 1bwe n VAL 51 Cb 0.02 -0.38 0.07 0.00 -1.47 0.00 0.00 33.84 32.08 1bwe n VAL 51 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1bwe n SER 52 N -1.91 -6.09 0.03 -1.34 2.88 -0.36 -4.93 113.62 101.91 1bwe n SER 52 Ca -0.03 -0.69 0.13 0.00 -1.33 0.00 0.00 58.87 56.95 1bwe n SER 52 Cb 0.39 -5.13 0.47 0.00 -0.75 0.00 0.00 64.21 59.19 1bwe n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bwe n ALA 53 N -3.29 2.56 -2.70 -1.46 0.00 -1.26 -4.81 120.51 109.55 1bwe n ALA 53 Ca -0.09 -0.13 -0.39 0.00 0.00 0.00 0.00 53.44 52.83 1bwe n ALA 53 Cb 0.62 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 1bwe n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bwe s ILE 54 N -3.04 5.10 0.24 0.00 1.01 -1.26 -2.55 121.20 120.70 1bwe s ILE 54 Ca 0.12 1.12 0.01 0.00 0.00 0.00 0.00 60.65 61.90 1bwe s ILE 54 Cb 0.17 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 1bwe s ILE 54 CO 0.59 0.23 0.08 -0.31 0.00 0.00 0.00 174.94 175.53 1bwe s TYR 55 N 1.16 1.44 0.45 3.97 2.02 -0.52 -4.92 117.35 120.94 1bwe s TYR 55 Ca 0.29 -1.16 -0.24 0.00 -0.37 0.00 0.00 57.07 55.59 1bwe s TYR 55 Cb -0.16 -0.83 -0.08 0.00 -0.40 0.00 0.00 41.96 40.49 1bwe s TYR 55 CO 0.12 -0.32 1.28 -1.58 -1.57 0.00 0.00 175.55 173.47 1bwe s HIS 56 N -3.76 2.73 0.32 2.71 2.46 -1.26 -0.30 115.29 118.19 1bwe s HIS 56 Ca 0.35 1.44 0.06 0.00 0.47 0.00 0.00 55.06 57.37 1bwe s HIS 56 Cb 0.07 -3.62 0.72 0.00 -0.13 0.00 0.00 32.58 29.63 1bwe s HIS 56 CO 0.11 -2.09 1.82 1.05 -2.47 0.00 0.00 174.74 173.16 1bwe h GLU 57 N 2.28 0.78 -0.93 2.88 4.11 -1.59 0.26 114.58 122.36 1bwe h GLU 57 Ca -0.50 -0.05 0.06 0.00 0.07 0.00 0.00 59.36 58.95 1bwe h GLU 57 Cb 1.26 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 1bwe h GLU 57 CO 0.61 0.51 0.59 0.22 0.07 0.00 0.00 179.01 181.02 1bwe h ASP 58 N 0.80 0.95 0.77 3.06 3.58 -1.91 -3.05 116.42 120.62 1bwe h ASP 58 Ca 0.52 0.01 -0.20 0.00 0.42 0.00 0.00 57.03 57.78 1bwe h ASP 58 Cb 0.76 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 1bwe h ASP 58 CO -0.29 0.61 -0.92 -0.26 -2.88 0.00 0.00 179.24 175.50 1bwe h PHE 59 N 1.09 0.14 -2.27 0.28 -1.00 -0.87 -3.44 116.94 110.86 1bwe h PHE 59 Ca 0.40 -0.08 -0.58 0.00 2.81 0.00 0.00 57.97 60.52 1bwe h PHE 59 Cb 0.15 -0.01 0.05 0.00 3.61 0.00 0.00 35.95 39.74 1bwe h PHE 59 CO -0.02 0.95 0.93 0.28 -1.61 0.00 0.00 178.31 178.84 1bwe n VAL 60 N -3.54 0.19 -1.62 -0.55 0.31 -0.68 -4.92 118.33 107.51 1bwe n VAL 60 Ca -0.02 -0.03 -0.41 0.00 -0.01 0.00 0.00 64.34 63.87 1bwe n VAL 60 Cb 0.85 -1.73 0.02 0.00 -0.91 0.00 0.00 33.84 32.07 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 4.51 1.32 -0.31 5.55 -0.02 -1.26 -4.48 135.00 140.31 1bwe n PRO 61 Ca 0.18 0.48 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 1bwe n PRO 61 Cb 0.31 -2.10 0.28 0.00 -0.02 0.00 0.00 33.50 31.97 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 1.38 0.11 -0.68 -0.52 3.07 -1.93 0.45 114.58 116.46 1bwe h GLU 62 Ca -0.46 -0.01 0.14 0.00 -0.50 0.00 0.00 59.36 58.54 1bwe h GLU 62 Cb 1.34 -0.02 -0.12 0.00 -0.84 0.00 0.00 28.75 29.10 1bwe h GLU 62 CO 0.56 0.07 -0.07 0.93 -1.40 0.00 0.00 179.01 179.10 1bwe h GLU 63 N 0.11 0.06 -0.00 2.33 3.07 -2.03 -1.67 114.58 116.44 1bwe h GLU 63 Ca 0.56 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.41 1bwe h GLU 63 Cb 1.13 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1bwe h GLU 63 CO -0.76 0.04 -0.43 0.91 -1.40 0.00 0.00 179.01 177.37 1bwe n TRP 64 N -5.38 0.00 0.30 4.33 8.01 0.12 -3.60 117.44 121.23 1bwe n TRP 64 Ca 0.10 0.00 0.19 0.00 -1.31 0.00 0.00 57.50 56.48 1bwe n TRP 64 Cb 0.39 -0.18 1.02 0.00 -2.01 0.00 0.00 31.31 30.53 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 0.53 0.00 -0.82 -0.99 1.57 0.40 0.23 116.57 117.49 1bwe h LYS 65 Ca 0.00 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.96 1bwe h LYS 65 Cb 0.51 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.71 1bwe h LYS 65 CO 0.00 0.00 0.31 0.77 -0.57 0.00 0.00 179.45 179.96 1bwe h SER 66 N 0.00 0.24 -0.05 0.86 0.02 -1.64 0.19 113.55 113.17 1bwe h SER 66 Ca 0.02 0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 61.04 1bwe h SER 66 Cb 0.23 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1bwe h SER 66 CO -0.00 0.03 -0.17 1.88 -1.14 0.00 0.00 176.83 177.43 1bwe h TYR 67 N 0.39 0.43 -0.30 3.45 0.05 -0.82 -0.96 116.97 119.20 1bwe h TYR 67 Ca 0.48 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 59.17 1bwe h TYR 67 Cb 0.84 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.45 1bwe h TYR 67 CO -0.18 0.55 0.10 0.82 -1.05 0.00 0.00 178.16 178.40 1bwe h ILE 68 N 0.36 1.20 -0.65 -2.88 5.03 -0.69 0.28 117.51 120.16 1bwe h ILE 68 Ca 0.07 -0.63 0.06 0.00 -0.12 0.00 0.00 64.86 64.23 1bwe h ILE 68 Cb 0.51 1.05 -0.05 0.00 -3.03 0.00 0.00 36.82 35.29 1bwe h ILE 68 CO 0.03 0.21 0.36 -0.61 -0.68 0.00 0.00 178.15 177.47 1bwe h GLN 69 N 0.33 0.65 0.07 2.37 5.75 -0.91 0.84 115.11 124.21 1bwe h GLN 69 Ca 0.10 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1bwe h GLN 69 Cb 0.23 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.64 1bwe h GLN 69 CO -0.00 0.43 -0.03 -0.22 -2.65 0.00 0.00 178.83 176.36 1bwe h LYS 70 N 0.67 -0.09 -0.99 1.69 3.64 -0.63 -0.27 116.57 120.60 1bwe h LYS 70 Ca 0.29 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.73 1bwe h LYS 70 Cb 0.17 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 1bwe h LYS 70 CO -0.18 -0.03 0.64 -0.91 -2.27 0.00 0.00 179.45 176.71 1bwe h ASN 71 N -0.12 1.04 0.82 4.20 2.35 -0.08 0.15 115.58 123.94 1bwe h ASN 71 Ca -0.01 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1bwe h ASN 71 Cb 0.10 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 38.26 1bwe h ASN 71 CO 0.02 0.68 -0.39 -0.09 -1.65 0.00 0.00 177.43 175.99 1bwe h ARG 72 N 1.18 -1.06 -0.55 0.81 2.43 -0.57 -3.34 114.38 113.29 1bwe h ARG 72 Ca 0.42 0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.60 1bwe h ARG 72 Cb 0.13 0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1bwe h ARG 72 CO -0.16 -0.70 0.12 0.22 -1.51 0.00 0.00 179.97 177.94 1bwe h ASP 73 N -1.13 0.85 -1.00 -3.80 1.82 -0.59 -3.30 116.42 109.27 1bwe h ASP 73 Ca -0.11 -0.24 0.28 0.00 -0.39 0.00 0.00 57.03 56.57 1bwe h ASP 73 Cb 0.85 -0.22 -0.19 0.00 0.68 0.00 0.00 39.33 40.45 1bwe h ASP 73 CO 0.18 0.87 0.05 0.49 -1.61 0.00 0.00 179.24 179.22 1bwe n PHE 74 N -4.39 0.66 0.18 0.28 3.01 0.49 -0.62 117.46 117.07 1bwe n PHE 74 Ca 0.02 1.20 0.09 0.00 1.01 0.00 0.00 57.45 59.77 1bwe n PHE 74 Cb 0.24 -1.27 0.16 0.00 -0.01 0.00 0.00 39.48 38.61 1bwe n PHE 74 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1bwe n PHE 75 N -5.49 0.39 -4.01 1.38 3.72 -1.24 -4.95 117.46 107.26 1bwe n PHE 75 Ca 0.24 -0.27 -0.01 0.00 -0.05 0.00 0.00 57.45 57.36 1bwe n PHE 75 Cb 0.79 -0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 39.32 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 1.03 1.67 0.00 -1.08 4.01 0.21 -5.17 118.16 118.83 1bwe n LYS 76 Ca 0.14 -0.08 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 1bwe n LYS 76 Cb 0.48 0.03 0.00 0.00 -0.51 0.00 0.00 35.03 35.03 1bwe n LYS 76 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92