#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 2.32 -0.00 0.00 1.51 -1.26 -3.37 117.35 116.55 1bwe s TYR 2 Ca 0.00 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.73 1bwe s TYR 2 Cb 0.00 -1.20 -0.01 0.00 -0.11 0.00 0.00 41.96 40.65 1bwe s TYR 2 CO 0.00 0.43 -0.11 0.08 -1.11 0.00 0.00 175.55 174.85 1bwe s VAL 3 N -1.41 0.84 0.15 0.71 1.01 0.54 -4.35 120.40 117.89 1bwe s VAL 3 Ca 0.18 -0.50 -0.23 0.00 0.00 0.00 0.00 61.98 61.43 1bwe s VAL 3 Cb -0.09 -0.71 -0.08 0.00 0.00 0.00 0.00 36.38 35.50 1bwe s VAL 3 CO 0.08 0.21 0.72 -0.51 0.00 0.00 0.00 175.10 175.61 1bwe s ILE 4 N -0.31 4.47 0.00 2.22 -1.16 -1.26 -1.31 121.20 123.84 1bwe s ILE 4 Ca 0.04 1.55 0.00 0.00 -0.51 0.00 0.00 60.65 61.73 1bwe s ILE 4 Cb -0.04 -4.06 0.00 0.00 0.61 0.00 0.00 42.46 38.97 1bwe s ILE 4 CO -0.00 0.50 0.00 0.35 -2.81 0.00 0.00 174.94 172.98 1bwe n THR 5 N 1.53 0.00 0.03 4.00 -2.24 -1.23 -4.85 114.28 111.52 1bwe n THR 5 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1bwe n THR 5 Cb 0.49 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1bwe n THR 5 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1bwe n GLU 6 N -0.00 0.00 0.26 -0.78 2.13 -1.26 -4.86 120.64 116.13 1bwe n GLU 6 Ca 0.00 0.00 0.16 0.00 0.66 0.00 0.00 57.16 57.98 1bwe n GLU 6 Cb 0.00 -0.14 0.89 0.00 0.27 0.00 0.00 31.44 32.46 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 -0.87 5.31 0.11 -1.99 0.20 132.00 134.76 1bwe h PRO 7 Ca 0.00 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.23 1bwe h PRO 7 Cb 0.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.25 1bwe h PRO 7 CO 0.00 0.00 0.56 0.00 -0.21 0.00 0.00 178.00 178.35 1bwe s ILE 9 N -5.72 3.36 0.07 0.00 1.09 0.05 -4.81 121.20 115.24 1bwe s ILE 9 Ca -0.10 0.00 0.01 0.00 -1.10 0.00 0.00 60.65 59.46 1bwe s ILE 9 Cb 0.21 -3.89 -0.00 0.00 -1.06 0.00 0.00 42.46 37.72 1bwe s ILE 9 CO 0.79 -0.85 0.08 0.61 -0.10 0.00 0.00 174.94 175.46 1bwe n GLY 10 N 6.12 3.38 3.58 6.18 0.00 -1.26 -5.11 105.19 118.07 1bwe n GLY 10 Ca 0.28 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 1bwe n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bwe s THR 11 N -2.38 3.39 0.00 2.61 -4.23 -1.26 -4.60 115.64 109.17 1bwe s THR 11 Ca 0.07 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1bwe s THR 11 Cb 0.00 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1bwe s THR 11 CO 0.05 -0.56 0.00 0.29 -0.54 0.00 0.00 174.62 173.86 1bwe n LYS 12 N 8.76 0.00 0.00 3.99 4.76 -1.26 -4.88 118.16 129.53 1bwe n LYS 12 Ca 0.23 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 1bwe n LYS 12 Cb 0.49 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.68 1bwe n LYS 12 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bwe n ALA 14 N 4.56 0.00 0.00 0.00 0.00 -1.26 -5.02 120.51 118.78 1bwe n ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bwe n ALA 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.79 0.00 0.21 0.00 7.64 -1.26 -4.33 113.62 116.68 1bwe n SER 15 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1bwe n SER 15 Cb 0.00 0.00 0.43 0.00 -1.01 0.00 0.00 64.21 63.63 1bwe n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwe h VAL 17 N 0.00 1.17 0.00 0.00 3.04 -1.95 -3.33 116.25 115.19 1bwe h VAL 17 Ca -0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 66.70 64.40 1bwe h VAL 17 Cb 0.77 1.96 0.00 0.00 -2.01 0.00 0.00 31.29 32.01 1bwe h VAL 17 CO 0.03 0.30 0.00 -1.84 -1.01 0.00 0.00 177.57 175.05 1bwe n GLU 18 N -4.86 0.71 0.00 4.17 0.00 -1.25 -2.94 120.64 116.47 1bwe n GLU 18 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.08 1bwe n GLU 18 Cb 0.29 -1.28 0.00 0.00 0.00 0.00 0.00 31.44 30.45 1bwe n GLU 18 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1bwe n VAL 19 N 0.01 0.00 -2.00 3.84 0.24 -1.25 -5.08 118.33 114.09 1bwe n VAL 19 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 1bwe n VAL 19 Cb 0.14 0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 32.66 1bwe n VAL 19 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bwe h PRO 21 N 7.02 0.36 -2.21 0.00 0.11 -1.97 -3.36 132.00 131.95 1bwe h PRO 21 Ca -0.42 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.45 1bwe h PRO 21 Cb 1.20 -0.08 -0.32 0.00 0.11 0.00 0.00 31.00 31.91 1bwe h PRO 21 CO 0.90 0.24 -0.53 0.54 -0.21 0.00 0.00 178.00 178.94 1bwe s VAL 22 N -5.85 -0.49 -0.27 3.15 0.11 -1.26 -5.12 120.40 110.68 1bwe s VAL 22 Ca -0.11 -0.06 -0.26 0.00 -2.93 0.00 0.00 61.98 58.62 1bwe s VAL 22 Cb 0.26 -0.74 -0.11 0.00 -1.53 0.00 0.00 36.38 34.27 1bwe s VAL 22 CO 0.78 -0.13 0.87 -0.67 -3.33 0.00 0.00 175.10 172.62 1bwe n ASP 23 N 5.35 0.65 -0.25 3.54 2.03 -1.26 -4.87 116.55 121.74 1bwe n ASP 23 Ca -0.05 0.65 0.02 0.00 0.52 0.00 0.00 54.79 55.94 1bwe n ASP 23 Cb 0.50 -0.49 0.03 0.00 -0.72 0.00 0.00 41.12 40.44 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 -0.73 2.09 0.05 0.00 -0.00 -1.26 -0.21 121.20 121.14 1bwe s ILE 25 Ca 0.07 -1.53 0.07 0.00 -0.00 0.00 0.00 60.65 59.27 1bwe s ILE 25 Cb 0.06 -2.19 -0.03 0.00 -0.00 0.00 0.00 42.46 40.30 1bwe s ILE 25 CO 0.01 0.02 -0.17 -1.00 -0.00 0.00 0.00 174.94 173.79 1bwe s HIS 26 N 1.15 2.57 -1.26 1.37 3.76 0.25 -4.74 115.29 118.39 1bwe s HIS 26 Ca -0.07 -0.25 -0.19 0.00 -0.15 0.00 0.00 55.06 54.40 1bwe s HIS 26 Cb -0.19 -1.45 0.01 0.00 1.11 0.00 0.00 32.58 32.06 1bwe s HIS 26 CO -0.06 0.28 1.86 0.39 -0.85 0.00 0.00 174.74 176.36 1bwe n GLU 27 N 1.45 2.65 -0.23 1.40 1.02 -1.26 0.28 120.64 125.95 1bwe n GLU 27 Ca -0.16 -2.90 -0.05 0.00 -0.02 0.00 0.00 57.16 54.03 1bwe n GLU 27 Cb 0.52 -3.49 0.06 0.00 -0.02 0.00 0.00 31.44 28.50 1bwe n GLU 27 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1bwe h GLY 28 N 13.62 0.93 0.00 0.62 0.00 -1.90 -3.42 103.07 112.92 1bwe h GLY 28 Ca 0.41 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1bwe h GLY 28 CO 1.49 0.30 0.00 1.18 0.00 0.00 0.00 176.54 179.51 1bwe n GLU 29 N -4.66 0.00 0.00 4.80 1.02 -1.26 -5.05 120.64 115.48 1bwe n GLU 29 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1bwe n GLU 29 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 1bwe n GLU 29 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1bwe n ASP 30 N -1.89 0.87 -4.98 1.62 2.03 -1.26 -5.12 116.55 107.82 1bwe n ASP 30 Ca 0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 1bwe n ASP 30 Cb 0.00 0.01 0.03 0.00 -0.72 0.00 0.00 41.12 40.44 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 -1.21 2.63 -0.07 -0.67 1.03 -1.26 -4.38 119.66 115.72 1bwe s GLN 31 Ca 0.00 -1.08 -0.29 0.00 0.04 0.00 0.00 55.36 54.03 1bwe s GLN 31 Cb 0.00 -2.63 -0.02 0.00 0.03 0.00 0.00 33.01 30.39 1bwe s GLN 31 CO 0.00 -0.53 0.95 0.71 -2.54 0.00 0.00 175.29 173.88 1bwe s TYR 32 N -2.57 3.56 -0.26 9.60 2.02 -1.26 -3.59 117.35 124.85 1bwe s TYR 32 Ca 0.57 1.57 -0.06 0.00 -0.37 0.00 0.00 57.07 58.78 1bwe s TYR 32 Cb -0.10 -3.11 -0.00 0.00 -0.40 0.00 0.00 41.96 38.35 1bwe s TYR 32 CO 0.36 -0.13 0.04 0.71 -1.57 0.00 0.00 175.55 174.96 1bwe s TYR 33 N 1.58 3.08 -0.04 2.71 2.02 0.14 -4.79 117.35 122.06 1bwe s TYR 33 Ca 0.48 -0.89 -0.28 0.00 -0.37 0.00 0.00 57.07 56.01 1bwe s TYR 33 Cb -0.19 -2.20 -0.03 0.00 -0.40 0.00 0.00 41.96 39.14 1bwe s TYR 33 CO 0.21 -0.53 0.90 0.42 -1.57 0.00 0.00 175.55 174.97 1bwe s ILE 34 N 1.51 4.91 -0.37 2.71 1.01 -1.26 -0.58 121.20 129.12 1bwe s ILE 34 Ca 0.04 1.86 -0.29 0.00 0.00 0.00 0.00 60.65 62.26 1bwe s ILE 34 Cb -0.16 -4.23 0.01 0.00 0.01 0.00 0.00 42.46 38.09 1bwe s ILE 34 CO 0.01 0.16 1.26 -0.62 0.00 0.00 0.00 174.94 175.75 1bwe s ASP 35 N 0.97 6.62 0.41 3.58 -1.08 0.71 -4.81 116.67 123.07 1bwe s ASP 35 Ca 0.47 0.93 0.14 0.00 -0.52 0.00 0.00 52.55 53.57 1bwe s ASP 35 Cb -0.20 -2.54 0.87 0.00 -1.46 0.00 0.00 42.92 39.59 1bwe s ASP 35 CO 0.23 -1.18 1.90 1.55 0.52 0.00 0.00 175.17 178.20 1bwe h PRO 36 N 9.45 0.00 0.00 4.34 0.13 -1.81 0.26 132.00 144.37 1bwe h PRO 36 Ca -0.25 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.66 1bwe h PRO 36 Cb 1.09 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1bwe h PRO 36 CO 1.07 0.28 -1.15 -0.44 -0.23 0.00 0.00 178.00 177.53 1bwe h ASP 37 N 0.00 0.00 0.54 1.44 3.32 -1.93 -3.28 116.42 116.52 1bwe h ASP 37 Ca -0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 1bwe h ASP 37 Cb 0.51 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1bwe h ASP 37 CO 0.04 0.96 -1.53 0.58 -1.72 0.00 0.00 179.24 177.57 1bwe h VAL 38 N 0.00 1.11 -1.83 -1.35 2.07 -1.92 -3.46 116.25 110.87 1bwe h VAL 38 Ca -0.08 -2.84 -0.67 0.00 0.82 0.00 0.00 66.70 63.93 1bwe h VAL 38 Cb 1.80 2.64 0.02 0.00 -1.52 0.00 0.00 31.29 34.23 1bwe h VAL 38 CO 0.11 0.75 1.00 0.00 0.02 0.00 0.00 177.57 179.44 1bwe n ILE 40 N 4.81 1.98 -4.09 0.00 -5.35 -1.26 -4.83 119.36 110.61 1bwe n ILE 40 Ca 0.24 -0.77 -0.28 0.00 -0.27 0.00 0.00 62.75 61.67 1bwe n ILE 40 Cb 0.22 -1.17 -0.05 0.00 -1.74 0.00 0.00 39.64 36.90 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 0.57 0.17 -2.09 7.28 8.00 -1.26 -4.98 116.55 124.23 1bwe n ASP 41 Ca 0.14 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.53 1bwe n ASP 41 Cb 0.64 -2.48 0.00 0.00 -0.02 0.00 0.00 41.12 39.26 1bwe n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bwe s GLY 43 N -2.34 1.01 0.00 0.00 0.00 -1.26 -4.99 107.32 99.74 1bwe s GLY 43 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.17 1bwe s GLY 43 CO 0.00 1.62 0.00 0.00 0.00 0.00 0.00 173.10 174.72 1bwe n ALA 44 N 4.89 0.15 -0.25 3.20 0.00 -1.26 -4.99 120.51 122.24 1bwe n ALA 44 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.47 1bwe n ALA 44 Cb 0.42 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.06 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 0.22 -0.11 -0.09 0.00 9.09 -1.94 -0.27 114.58 121.48 1bwe h GLU 46 Ca 0.43 0.01 -0.12 0.00 0.05 0.00 0.00 59.36 59.73 1bwe h GLU 46 Cb 0.76 0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.87 1bwe h GLU 46 CO -0.56 -0.07 -0.46 0.00 0.05 0.00 0.00 179.01 177.96 1bwe h ALA 47 N 0.88 1.05 -0.35 1.06 0.00 -1.79 -3.27 119.26 116.84 1bwe h ALA 47 Ca 0.03 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 1bwe h ALA 47 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1bwe h ALA 47 CO -0.07 0.63 -0.39 0.28 0.00 0.00 0.00 179.25 179.70 1bwe h VAL 48 N 0.18 1.28 -1.83 0.00 2.07 0.08 -3.42 116.25 114.61 1bwe h VAL 48 Ca 0.01 -1.56 -0.60 0.00 0.82 0.00 0.00 66.70 65.37 1bwe h VAL 48 Cb 0.89 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1bwe h VAL 48 CO 0.07 0.51 1.43 0.00 0.02 0.00 0.00 177.57 179.60 1bwe n PRO 50 N 8.39 0.14 0.04 0.00 -0.04 -1.26 -0.79 135.00 141.49 1bwe n PRO 50 Ca 0.31 0.54 0.06 0.00 -0.04 0.00 0.00 63.50 64.37 1bwe n PRO 50 Cb 0.39 -1.88 -0.08 0.00 -0.04 0.00 0.00 33.50 31.89 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 -2.17 0.74 -3.59 0.52 0.24 -1.26 -5.01 118.33 107.79 1bwe n VAL 51 Ca 0.00 -0.61 -0.25 0.00 -2.04 0.00 0.00 64.34 61.44 1bwe n VAL 51 Cb 0.10 -0.41 0.05 0.00 -1.47 0.00 0.00 33.84 32.11 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 -2.67 -4.47 0.15 -1.34 7.64 0.03 -4.92 113.62 108.04 1bwe n SER 52 Ca -0.07 -0.90 0.12 0.00 1.01 0.00 0.00 58.87 59.03 1bwe n SER 52 Cb 0.70 -3.96 0.07 0.00 -1.01 0.00 0.00 64.21 60.01 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 0.62 0.70 -2.34 -0.43 0.00 -1.88 -3.46 119.26 112.47 1bwe h ALA 53 Ca -0.64 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 53.72 1bwe h ALA 53 Cb 1.35 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1bwe h ALA 53 CO 0.50 0.00 0.46 0.42 0.00 0.00 0.00 179.25 180.62 1bwe s ILE 54 N -3.30 4.83 0.18 0.00 1.01 -1.26 -3.56 121.20 119.10 1bwe s ILE 54 Ca 0.03 2.05 -0.01 0.00 0.00 0.00 0.00 60.65 62.72 1bwe s ILE 54 Cb 0.08 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1bwe s ILE 54 CO 0.74 0.09 0.10 -0.31 0.00 0.00 0.00 174.94 175.56 1bwe s TYR 55 N 1.45 1.09 0.54 3.97 2.02 -0.43 -4.94 117.35 121.05 1bwe s TYR 55 Ca 0.50 -1.32 -0.21 0.00 -0.37 0.00 0.00 57.07 55.68 1bwe s TYR 55 Cb -0.20 -0.55 -0.05 0.00 -0.40 0.00 0.00 41.96 40.76 1bwe s TYR 55 CO 0.24 -0.58 1.22 -1.58 -1.57 0.00 0.00 175.55 173.27 1bwe s HIS 56 N -4.10 2.55 0.25 2.71 2.46 -1.26 -0.34 115.29 117.56 1bwe s HIS 56 Ca 0.34 1.50 -0.03 0.00 0.47 0.00 0.00 55.06 57.34 1bwe s HIS 56 Cb 0.07 -3.49 0.47 0.00 -0.13 0.00 0.00 32.58 29.50 1bwe s HIS 56 CO 0.09 -2.06 1.78 0.93 -2.47 0.00 0.00 174.74 173.00 1bwe h GLU 57 N 1.38 0.64 0.00 2.88 5.08 -1.90 0.24 114.58 122.89 1bwe h GLU 57 Ca -0.50 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 57.78 1bwe h GLU 57 Cb 1.28 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1bwe h GLU 57 CO 0.57 0.42 -0.21 0.38 -1.00 0.00 0.00 179.01 179.18 1bwe h ASP 58 N 0.65 0.00 0.43 1.42 2.03 -1.91 -3.03 116.42 116.01 1bwe h ASP 58 Ca 0.43 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 56.48 1bwe h ASP 58 Cb 0.54 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.04 1bwe h ASP 58 CO -0.32 0.21 -1.08 -0.26 -1.03 0.00 0.00 179.24 176.75 1bwe h PHE 59 N 0.00 0.61 -2.30 4.15 -1.00 -0.95 -3.44 116.94 114.00 1bwe h PHE 59 Ca -0.00 -0.37 -0.57 0.00 2.81 0.00 0.00 57.97 59.84 1bwe h PHE 59 Cb 0.80 -0.05 0.04 0.00 3.61 0.00 0.00 35.95 40.34 1bwe h PHE 59 CO 0.00 1.23 1.02 0.28 -1.61 0.00 0.00 178.31 179.23 1bwe n VAL 60 N -3.67 0.32 -1.65 -0.55 0.31 -0.39 -4.93 118.33 107.77 1bwe n VAL 60 Ca -0.08 -0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 63.77 1bwe n VAL 60 Cb 0.92 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 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 5.26 1.66 -0.28 5.55 -0.02 -1.26 -4.52 135.00 141.39 1bwe n PRO 61 Ca 0.19 0.59 0.03 0.00 -2.02 0.00 0.00 63.50 62.29 1bwe n PRO 61 Cb 0.33 -2.15 0.08 0.00 -0.02 0.00 0.00 33.50 31.74 1bwe n PRO 61 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1bwe n GLU 62 N 0.33 -0.10 -0.28 -0.52 4.71 -1.26 0.14 120.64 123.65 1bwe n GLU 62 Ca 0.08 1.19 0.08 0.00 -0.01 0.00 0.00 57.16 58.50 1bwe n GLU 62 Cb 0.37 -1.78 0.20 0.00 -1.01 0.00 0.00 31.44 29.22 1bwe n GLU 62 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1bwe h GLU 63 N 0.00 0.11 -0.02 3.49 3.07 -2.03 -0.54 114.58 118.67 1bwe h GLU 63 Ca 0.34 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1bwe h GLU 63 Cb 0.53 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1bwe h GLU 63 CO -0.78 0.07 -0.24 0.91 -1.40 0.00 0.00 179.01 177.57 1bwe n TRP 64 N -5.34 0.00 0.32 4.33 8.01 0.12 -3.81 117.44 121.07 1bwe n TRP 64 Ca 0.16 0.00 0.19 0.00 -1.31 0.00 0.00 57.50 56.54 1bwe n TRP 64 Cb 0.55 -0.04 1.06 0.00 -2.01 0.00 0.00 31.31 30.87 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 2.46 0.00 -0.93 -0.99 1.57 0.94 0.18 116.57 119.80 1bwe h LYS 65 Ca 0.00 0.00 0.22 0.00 -1.87 0.00 0.00 60.65 59.00 1bwe h LYS 65 Cb 0.68 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.87 1bwe h LYS 65 CO 0.00 0.00 0.47 0.77 -0.57 0.00 0.00 179.45 180.12 1bwe h SER 66 N 0.00 0.47 0.20 0.86 0.02 -1.66 0.15 113.55 113.58 1bwe h SER 66 Ca -0.00 0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 1bwe h SER 66 Cb 0.02 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1bwe h SER 66 CO 0.00 0.06 -0.38 1.88 -1.14 0.00 0.00 176.83 177.25 1bwe h TYR 67 N 0.48 0.29 -0.28 3.45 0.05 -0.92 -0.91 116.97 119.13 1bwe h TYR 67 Ca 0.58 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 59.28 1bwe h TYR 67 Cb 1.08 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.74 1bwe h TYR 67 CO -0.09 0.60 0.15 0.82 -1.05 0.00 0.00 178.16 178.59 1bwe h ILE 68 N 0.21 1.13 -0.31 -2.88 5.03 -0.77 0.29 117.51 120.22 1bwe h ILE 68 Ca 0.02 -0.36 0.05 0.00 -0.12 0.00 0.00 64.86 64.46 1bwe h ILE 68 Cb 0.77 0.86 -0.05 0.00 -3.03 0.00 0.00 36.82 35.36 1bwe h ILE 68 CO 0.06 0.13 -0.00 -0.61 -0.68 0.00 0.00 178.15 177.05 1bwe h GLN 69 N 0.33 0.09 -0.52 2.37 -0.00 -1.09 0.12 115.11 116.41 1bwe h GLN 69 Ca 0.10 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.71 1bwe h GLN 69 Cb 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.52 1bwe h GLN 69 CO -0.01 0.06 0.18 -0.22 0.00 0.00 0.00 178.83 178.84 1bwe h LYS 70 N 0.09 0.80 -0.60 1.69 1.63 -0.61 -0.40 116.57 119.17 1bwe h LYS 70 Ca 0.15 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1bwe h LYS 70 Cb 0.20 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.68 1bwe h LYS 70 CO -0.25 0.73 0.34 -0.91 -3.45 0.00 0.00 179.45 175.91 1bwe h ASN 71 N 0.71 0.74 0.47 4.20 2.35 -0.22 0.10 115.58 123.94 1bwe h ASN 71 Ca 0.17 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1bwe h ASN 71 Cb 0.25 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1bwe h ASN 71 CO -0.01 0.61 -0.38 -0.09 -1.65 0.00 0.00 177.43 175.91 1bwe h ARG 72 N 0.82 -0.81 -0.66 0.81 9.65 -0.67 -3.30 114.38 120.22 1bwe h ARG 72 Ca 0.21 0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 59.13 1bwe h ARG 72 Cb 0.02 0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.75 1bwe h ARG 72 CO -0.04 -0.54 0.32 0.22 2.80 0.00 0.00 179.97 182.73 1bwe h ASP 73 N -0.84 0.86 -0.86 -3.80 3.58 -0.88 -3.29 116.42 111.19 1bwe h ASP 73 Ca -0.05 -0.13 0.15 0.00 0.42 0.00 0.00 57.03 57.43 1bwe h ASP 73 Cb 0.72 -0.22 -0.15 0.00 1.72 0.00 0.00 39.33 41.40 1bwe h ASP 73 CO -0.01 0.75 -0.27 0.49 -2.88 0.00 0.00 179.24 177.32 1bwe n PHE 74 N -4.48 0.18 0.31 0.28 3.72 0.33 -0.99 117.46 116.82 1bwe n PHE 74 Ca 0.05 1.05 0.09 0.00 -0.05 0.00 0.00 57.45 58.59 1bwe n PHE 74 Cb 0.12 -0.92 0.14 0.00 -0.94 0.00 0.00 39.48 37.89 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 -5.34 0.30 -3.66 1.38 3.72 -1.24 -4.68 117.46 107.95 1bwe n PHE 75 Ca 0.12 -0.21 -0.36 0.00 -0.05 0.00 0.00 57.45 56.95 1bwe n PHE 75 Cb 0.39 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.86 1bwe n PHE 75 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1bwe s LYS 76 N -1.27 3.21 0.00 -1.08 3.01 -0.16 -5.18 119.74 118.26 1bwe s LYS 76 Ca 0.27 -3.27 0.00 0.00 -1.01 0.00 0.00 55.97 51.97 1bwe s LYS 76 Cb 0.16 -3.92 0.00 0.00 -1.01 0.00 0.00 37.83 33.07 1bwe s LYS 76 CO 0.23 -1.26 0.00 1.17 0.51 0.00 0.00 175.35 176.00