#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 3.57 0.01 0.00 1.51 -1.26 -1.15 117.35 120.03 1bwe s TYR 2 Ca 0.00 0.58 0.00 0.00 -1.01 0.00 0.00 57.07 56.64 1bwe s TYR 2 Cb 0.00 -2.00 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 1bwe s TYR 2 CO 0.00 0.60 -0.01 0.08 -1.11 0.00 0.00 175.55 175.10 1bwe s VAL 3 N -1.32 0.06 0.33 0.71 1.01 0.64 -4.36 120.40 117.46 1bwe s VAL 3 Ca 0.29 -0.38 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 1bwe s VAL 3 Cb -0.13 -0.12 -0.09 0.00 0.00 0.00 0.00 36.38 36.03 1bwe s VAL 3 CO 0.17 -0.20 1.08 -0.63 0.00 0.00 0.00 175.10 175.52 1bwe s ILE 4 N -0.59 3.59 0.23 2.22 1.09 -1.26 -1.46 121.20 125.01 1bwe s ILE 4 Ca -0.06 1.42 0.03 0.00 -1.10 0.00 0.00 60.65 60.94 1bwe s ILE 4 Cb -0.04 -3.84 -0.05 0.00 -1.06 0.00 0.00 42.46 37.47 1bwe s ILE 4 CO -0.00 0.21 -0.00 0.42 -0.10 0.00 0.00 174.94 175.46 1bwe s THR 5 N -1.38 1.01 0.00 2.92 -4.23 -1.13 -4.77 115.64 108.06 1bwe s THR 5 Ca 0.50 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1bwe s THR 5 Cb -0.28 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1bwe s THR 5 CO 0.35 -0.34 0.00 1.21 -0.54 0.00 0.00 174.62 175.30 1bwe n GLU 6 N -0.40 0.00 0.32 3.99 2.13 -1.26 -0.95 120.64 124.47 1bwe n GLU 6 Ca -0.05 0.00 0.21 0.00 0.66 0.00 0.00 57.16 57.98 1bwe n GLU 6 Cb 0.64 0.00 1.10 0.00 0.27 0.00 0.00 31.44 33.45 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 -0.28 5.31 0.11 -1.97 -0.22 132.00 134.95 1bwe h PRO 7 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1bwe h PRO 7 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1bwe h PRO 7 CO 0.00 0.01 0.03 0.00 -0.21 0.00 0.00 178.00 177.83 1bwe s ILE 9 N -5.04 3.43 -0.00 0.00 1.09 -0.10 -4.83 121.20 115.75 1bwe s ILE 9 Ca -0.07 -0.08 -0.20 0.00 -1.10 0.00 0.00 60.65 59.20 1bwe s ILE 9 Cb 0.16 -4.05 0.04 0.00 -1.06 0.00 0.00 42.46 37.55 1bwe s ILE 9 CO 0.74 -1.00 0.43 -0.83 -0.10 0.00 0.00 174.94 174.18 1bwe s GLY 10 N 7.78 -0.30 -0.09 6.18 0.00 -1.26 -5.10 107.32 114.52 1bwe s GLY 10 Ca 0.66 0.56 -0.38 0.00 0.00 0.00 0.00 44.72 45.56 1bwe s GLY 10 CO 0.10 0.30 1.54 2.41 0.00 0.00 0.00 173.10 177.44 1bwe n THR 11 N 0.92 0.15 -2.01 0.90 -1.04 -1.26 -4.05 114.28 107.90 1bwe n THR 11 Ca -0.20 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1bwe n THR 11 Cb 0.58 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 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 3.93 0.00 0.07 -2.82 5.02 -1.26 -4.88 118.16 118.22 1bwe n LYS 12 Ca 0.22 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.37 1bwe n LYS 12 Cb 0.16 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.09 1bwe n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bwe n ALA 14 N -2.91 -1.46 -0.11 0.00 0.00 -1.26 -4.92 120.51 109.85 1bwe n ALA 14 Ca -0.07 0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.24 1bwe n ALA 14 Cb 0.39 -3.84 -0.08 0.00 0.00 0.00 0.00 19.45 15.92 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 -2.88 1.68 -3.66 0.00 7.64 -1.26 -4.67 113.62 110.47 1bwe n SER 15 Ca -0.04 0.29 -0.42 0.00 1.01 0.00 0.00 58.87 59.71 1bwe n SER 15 Cb 0.56 -0.69 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 1bwe n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwe s VAL 17 N 4.06 0.17 -1.26 0.00 -7.23 -1.26 -4.87 120.40 110.01 1bwe s VAL 17 Ca 0.52 -1.42 -0.30 0.00 -1.81 0.00 0.00 61.98 58.97 1bwe s VAL 17 Cb 0.14 -1.07 0.04 0.00 0.56 0.00 0.00 36.38 36.05 1bwe s VAL 17 CO 0.01 -0.78 0.59 -0.62 -0.31 0.00 0.00 175.10 173.99 1bwe n GLU 18 N 0.62 -0.40 0.00 4.82 1.02 -1.26 -4.75 120.64 120.69 1bwe n GLU 18 Ca -0.18 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1bwe n GLU 18 Cb 0.59 -2.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.28 1bwe n GLU 18 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1bwe n VAL 19 N -4.98 0.00 -2.40 2.62 3.14 -1.26 -5.13 118.33 110.33 1bwe n VAL 19 Ca -0.14 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.84 1bwe n VAL 19 Cb 0.58 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.33 1bwe n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1bwe n PRO 21 N 0.80 -0.04 -1.13 0.00 -0.02 -1.26 -0.64 135.00 132.72 1bwe n PRO 21 Ca 0.01 1.12 0.05 0.00 -2.02 0.00 0.00 63.50 62.65 1bwe n PRO 21 Cb 0.45 -2.15 0.10 0.00 -0.02 0.00 0.00 33.50 31.87 1bwe n PRO 21 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1bwe n VAL 22 N -4.56 0.88 -3.64 -1.45 0.24 -1.26 -5.04 118.33 103.50 1bwe n VAL 22 Ca 0.35 -1.88 -0.04 0.00 -2.04 0.00 0.00 64.34 60.73 1bwe n VAL 22 Cb 1.31 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 34.19 1bwe n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1bwe n ASP 23 N -0.15 -0.32 -1.84 -1.34 8.00 0.18 -4.80 116.55 116.28 1bwe n ASP 23 Ca 0.11 -0.10 -0.12 0.00 0.71 0.00 0.00 54.79 55.39 1bwe n ASP 23 Cb 0.96 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.94 1bwe n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bwe s ILE 25 N -1.39 3.82 -0.00 0.00 -5.25 -1.26 -0.92 121.20 116.19 1bwe s ILE 25 Ca 0.27 -0.37 -0.02 0.00 -0.99 0.00 0.00 60.65 59.53 1bwe s ILE 25 Cb 0.19 -2.70 -0.00 0.00 2.95 0.00 0.00 42.46 42.90 1bwe s ILE 25 CO -0.02 0.46 0.04 -1.00 -1.79 0.00 0.00 174.94 172.63 1bwe s HIS 26 N 0.72 0.07 -0.15 1.37 3.76 0.40 -4.91 115.29 116.55 1bwe s HIS 26 Ca -0.01 -0.15 -0.29 0.00 -0.15 0.00 0.00 55.06 54.45 1bwe s HIS 26 Cb -0.14 -0.07 -0.04 0.00 1.11 0.00 0.00 32.58 33.43 1bwe s HIS 26 CO 0.02 -0.14 1.75 -1.21 -0.85 0.00 0.00 174.74 174.32 1bwe s GLU 27 N -0.77 3.83 -0.05 1.40 2.02 -1.26 0.17 118.70 124.04 1bwe s GLU 27 Ca -0.09 1.94 -0.13 0.00 0.02 0.00 0.00 54.97 56.72 1bwe s GLU 27 Cb -0.05 -4.09 -0.08 0.00 0.10 0.00 0.00 34.13 30.01 1bwe s GLU 27 CO -0.00 -1.27 0.52 0.78 0.02 0.00 0.00 175.26 175.31 1bwe h GLY 28 N 11.71 -0.41 0.00 -1.39 0.00 -1.74 -3.47 103.07 107.78 1bwe h GLY 28 Ca -0.38 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1bwe h GLY 28 CO 0.98 -0.15 0.00 1.18 0.00 0.00 0.00 176.54 178.55 1bwe n GLU 29 N -5.04 0.00 0.00 4.80 4.71 -1.26 -5.01 120.64 118.85 1bwe n GLU 29 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 1bwe n GLU 29 Cb 0.18 -0.03 0.00 0.00 -1.01 0.00 0.00 31.44 30.58 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 -2.58 2.53 -4.91 1.62 2.03 -1.26 -5.10 116.55 108.88 1bwe n ASP 30 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 1bwe n ASP 30 Cb 0.00 0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 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 -1.60 3.52 -0.07 -0.67 1.03 -1.26 -4.46 119.66 116.15 1bwe s GLN 31 Ca 0.00 0.21 -0.30 0.00 0.04 0.00 0.00 55.36 55.31 1bwe s GLN 31 Cb 0.00 -2.36 -0.03 0.00 0.03 0.00 0.00 33.01 30.65 1bwe s GLN 31 CO 0.00 -0.24 1.16 0.71 -2.54 0.00 0.00 175.29 174.39 1bwe s TYR 32 N -2.77 3.24 0.24 9.60 1.51 -1.26 -2.02 117.35 125.89 1bwe s TYR 32 Ca 0.48 1.28 0.07 0.00 -1.01 0.00 0.00 57.07 57.89 1bwe s TYR 32 Cb -0.10 -3.38 -0.04 0.00 -0.11 0.00 0.00 41.96 38.33 1bwe s TYR 32 CO 0.45 -1.11 0.16 -0.47 -1.11 0.00 0.00 175.55 173.47 1bwe s TYR 33 N 2.26 3.07 -0.06 2.71 5.04 0.13 -4.88 117.35 125.62 1bwe s TYR 33 Ca 0.54 -0.11 0.04 0.00 -2.44 0.00 0.00 57.07 55.11 1bwe s TYR 33 Cb -0.23 -1.40 -0.02 0.00 0.35 0.00 0.00 41.96 40.66 1bwe s TYR 33 CO 0.20 0.53 -0.18 0.42 -1.34 0.00 0.00 175.55 175.18 1bwe s ILE 34 N -2.08 2.69 -0.40 3.14 1.01 -1.26 -0.45 121.20 123.85 1bwe s ILE 34 Ca 0.32 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.84 1bwe s ILE 34 Cb -0.08 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.37 1bwe s ILE 34 CO 0.24 0.57 1.21 -0.62 0.00 0.00 0.00 174.94 176.34 1bwe s ASP 35 N -0.40 6.65 0.42 3.58 -1.08 -0.10 -4.81 116.67 120.93 1bwe s ASP 35 Ca 0.04 0.80 0.12 0.00 -0.52 0.00 0.00 52.55 53.00 1bwe s ASP 35 Cb -0.12 -2.54 0.90 0.00 -1.46 0.00 0.00 42.92 39.70 1bwe s ASP 35 CO 0.02 -1.17 1.96 1.55 0.52 0.00 0.00 175.17 178.04 1bwe h PRO 36 N 9.27 0.11 0.00 4.34 0.13 -1.80 0.63 132.00 144.69 1bwe h PRO 36 Ca -0.24 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.81 1bwe h PRO 36 Cb 1.08 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1bwe h PRO 36 CO 1.08 0.27 -0.33 -0.44 -0.23 0.00 0.00 178.00 178.35 1bwe h ASP 37 N 0.10 0.00 0.53 1.44 3.32 -1.91 -3.06 116.42 116.85 1bwe h ASP 37 Ca 0.02 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.80 1bwe h ASP 37 Cb 0.34 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 1bwe h ASP 37 CO 0.02 0.29 -1.65 0.52 -1.72 0.00 0.00 179.24 176.71 1bwe n VAL 38 N -3.16 1.54 -1.70 -1.35 0.31 -1.06 -4.89 118.33 108.03 1bwe n VAL 38 Ca 0.02 -0.78 -0.43 0.00 -0.01 0.00 0.00 64.34 63.14 1bwe n VAL 38 Cb 0.65 -1.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.55 1bwe n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bwe n ILE 40 N 3.98 3.36 -4.04 0.00 -5.35 -1.26 -4.81 119.36 111.24 1bwe n ILE 40 Ca 0.17 -2.43 -0.40 0.00 -0.27 0.00 0.00 62.75 59.82 1bwe n ILE 40 Cb 0.33 -0.98 0.00 0.00 -1.74 0.00 0.00 39.64 37.25 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 -0.81 -3.11 -3.78 7.28 8.00 -1.26 -4.98 116.55 117.89 1bwe n ASP 41 Ca 0.57 -1.22 -0.16 0.00 0.71 0.00 0.00 54.79 54.69 1bwe n ASP 41 Cb 0.93 -2.09 0.08 0.00 -0.02 0.00 0.00 41.12 40.02 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 -0.30 5.02 3.54 0.00 0.00 -1.26 -4.98 105.19 107.21 1bwe n GLY 43 Ca 0.11 -2.74 -0.10 0.00 0.00 0.00 0.00 46.02 43.30 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 -2.70 -1.59 0.00 4.61 0.00 -1.26 -4.97 121.76 115.86 1bwe s ALA 44 Ca 0.38 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1bwe s ALA 44 Cb 0.13 0.77 0.00 0.00 0.00 0.00 0.00 23.12 24.01 1bwe s ALA 44 CO 0.02 -0.82 0.00 0.00 0.00 0.00 0.00 175.76 174.96 1bwe h GLU 46 N 0.00 -0.14 0.00 0.00 -0.00 -1.94 0.65 114.58 113.16 1bwe h GLU 46 Ca 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 59.36 59.37 1bwe h GLU 46 Cb 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 28.75 28.78 1bwe h GLU 46 CO 0.00 -0.09 -0.01 0.00 -0.00 0.00 0.00 179.01 178.91 1bwe h ALA 47 N 1.11 1.00 -0.04 1.06 0.00 -1.93 -3.08 119.26 117.37 1bwe h ALA 47 Ca 0.23 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.89 1bwe h ALA 47 Cb 0.51 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1bwe h ALA 47 CO -0.61 0.01 -0.92 0.28 0.00 0.00 0.00 179.25 178.01 1bwe h VAL 48 N 0.00 1.32 -2.13 0.00 2.07 -1.25 -3.43 116.25 112.84 1bwe h VAL 48 Ca -0.00 -2.23 -0.59 0.00 0.82 0.00 0.00 66.70 64.70 1bwe h VAL 48 Cb 0.54 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1bwe h VAL 48 CO 0.00 0.69 1.45 0.00 0.02 0.00 0.00 177.57 179.72 1bwe n PRO 50 N 8.66 0.50 -0.02 0.00 -0.04 -1.26 -1.99 135.00 140.84 1bwe n PRO 50 Ca 0.28 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.77 1bwe n PRO 50 Cb 0.45 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.00 0.28 -3.27 0.52 0.24 -1.26 -5.04 118.33 108.80 1bwe n VAL 51 Ca 0.12 -0.37 -0.15 0.00 -2.04 0.00 0.00 64.34 61.90 1bwe n VAL 51 Cb 0.06 -0.10 0.07 0.00 -1.47 0.00 0.00 33.84 32.40 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 -2.12 -5.18 0.07 -1.34 2.88 -0.84 -4.96 113.62 102.13 1bwe n SER 52 Ca -0.08 -0.67 0.07 0.00 -1.33 0.00 0.00 58.87 56.86 1bwe n SER 52 Cb 0.53 -5.08 -0.03 0.00 -0.75 0.00 0.00 64.21 58.87 1bwe n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bwe h ALA 53 N 0.21 0.57 -2.07 -1.46 0.00 -1.90 -3.45 119.26 111.16 1bwe h ALA 53 Ca -0.59 -0.36 -0.58 0.00 0.00 0.00 0.00 54.91 53.38 1bwe h ALA 53 Cb 1.31 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 1bwe h ALA 53 CO 0.45 0.39 0.84 0.42 0.00 0.00 0.00 179.25 181.35 1bwe s ILE 54 N -3.18 4.53 0.28 0.00 1.01 -1.26 -2.82 121.20 119.77 1bwe s ILE 54 Ca -0.01 1.83 0.04 0.00 0.00 0.00 0.00 60.65 62.51 1bwe s ILE 54 Cb 0.09 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 1bwe s ILE 54 CO 0.80 -0.24 0.01 -0.31 0.00 0.00 0.00 174.94 175.20 1bwe s TYR 55 N 3.41 1.83 0.42 3.97 2.02 -0.53 -4.91 117.35 123.56 1bwe s TYR 55 Ca 0.47 -0.88 -0.25 0.00 -0.37 0.00 0.00 57.07 56.05 1bwe s TYR 55 Cb -0.16 -1.11 -0.08 0.00 -0.40 0.00 0.00 41.96 40.20 1bwe s TYR 55 CO 0.10 0.07 1.20 -1.58 -1.57 0.00 0.00 175.55 173.77 1bwe s HIS 56 N -3.26 2.94 0.29 2.71 2.46 -1.26 -0.26 115.29 118.90 1bwe s HIS 56 Ca 0.32 1.51 0.03 0.00 0.47 0.00 0.00 55.06 57.39 1bwe s HIS 56 Cb 0.06 -3.46 0.65 0.00 -0.13 0.00 0.00 32.58 29.70 1bwe s HIS 56 CO 0.12 -1.59 1.77 1.05 -2.47 0.00 0.00 174.74 173.63 1bwe h GLU 57 N 2.45 0.70 0.00 2.88 4.11 -1.47 0.21 114.58 123.46 1bwe h GLU 57 Ca -0.49 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.90 1bwe h GLU 57 Cb 1.24 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1bwe h GLU 57 CO 0.62 0.47 0.00 0.38 0.07 0.00 0.00 179.01 180.54 1bwe h ASP 58 N 0.72 0.00 0.60 3.06 2.03 -1.91 -3.06 116.42 117.87 1bwe h ASP 58 Ca 0.53 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.55 1bwe h ASP 58 Cb 0.78 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.27 1bwe h ASP 58 CO -0.37 0.00 -1.36 -0.26 -1.03 0.00 0.00 179.24 176.22 1bwe h PHE 59 N 0.00 0.37 -2.69 4.15 -1.00 -0.98 -3.47 116.94 113.33 1bwe h PHE 59 Ca 0.00 -0.27 -0.53 0.00 2.81 0.00 0.00 57.97 59.99 1bwe h PHE 59 Cb 0.58 -0.01 0.04 0.00 3.61 0.00 0.00 35.95 40.17 1bwe h PHE 59 CO 0.00 1.26 0.99 0.08 -1.61 0.00 0.00 178.31 179.04 1bwe s VAL 60 N -2.64 2.54 0.57 -0.55 1.01 -0.78 -4.95 120.40 115.59 1bwe s VAL 60 Ca -0.05 0.25 -0.19 0.00 0.00 0.00 0.00 61.98 61.98 1bwe s VAL 60 Cb 0.07 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.23 1bwe s VAL 60 CO 0.86 0.01 0.92 -2.65 0.00 0.00 0.00 175.10 174.24 1bwe n PRO 61 N 4.73 0.93 -0.27 2.72 -0.02 -1.26 -4.53 135.00 137.30 1bwe n PRO 61 Ca 0.16 0.36 0.06 0.00 -2.02 0.00 0.00 63.50 62.06 1bwe n PRO 61 Cb 0.38 -2.09 0.20 0.00 -0.02 0.00 0.00 33.50 31.97 1bwe n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1bwe h GLU 62 N 0.64 0.47 -0.97 -0.52 4.57 -1.98 0.29 114.58 117.10 1bwe h GLU 62 Ca -0.47 -0.03 0.29 0.00 -1.18 0.00 0.00 59.36 57.97 1bwe h GLU 62 Cb 1.36 -0.11 -0.17 0.00 -0.16 0.00 0.00 28.75 29.67 1bwe h GLU 62 CO 0.51 0.31 0.18 0.93 -1.18 0.00 0.00 179.01 179.76 1bwe h GLU 63 N 0.49 0.05 -0.02 1.92 3.07 -2.03 0.06 114.58 118.11 1bwe h GLU 63 Ca 0.44 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 1bwe h GLU 63 Cb 0.66 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1bwe h GLU 63 CO -0.40 0.03 -0.12 0.91 -1.40 0.00 0.00 179.01 178.04 1bwe n TRP 64 N -5.38 0.00 0.32 4.33 8.01 0.78 -4.11 117.44 121.38 1bwe n TRP 64 Ca 0.26 0.00 0.21 0.00 -1.31 0.00 0.00 57.50 56.66 1bwe n TRP 64 Cb 0.85 0.00 1.10 0.00 -2.01 0.00 0.00 31.31 31.24 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 3.60 0.00 -0.72 -0.99 1.57 0.12 0.15 116.57 120.30 1bwe h LYS 65 Ca 0.00 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 1bwe h LYS 65 Cb 0.82 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.04 1bwe h LYS 65 CO 0.00 0.00 0.25 0.66 -0.57 0.00 0.00 179.45 179.79 1bwe h SER 66 N 0.00 0.20 -0.09 0.86 4.64 -1.71 0.27 113.55 117.71 1bwe h SER 66 Ca 0.00 0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 61.36 1bwe h SER 66 Cb 0.07 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1bwe h SER 66 CO 0.00 0.07 -0.14 1.88 -0.87 0.00 0.00 176.83 177.77 1bwe h TYR 67 N 0.39 0.48 -0.17 4.77 0.05 -1.01 -0.20 116.97 121.28 1bwe h TYR 67 Ca 0.39 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 59.09 1bwe h TYR 67 Cb 0.59 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 1bwe h TYR 67 CO -0.19 0.57 0.07 0.82 -1.05 0.00 0.00 178.16 178.38 1bwe h ILE 68 N 0.41 1.15 -0.36 -2.88 5.03 -1.00 0.26 117.51 120.12 1bwe h ILE 68 Ca 0.08 -0.46 0.07 0.00 -0.12 0.00 0.00 64.86 64.43 1bwe h ILE 68 Cb 0.49 1.14 -0.07 0.00 -3.03 0.00 0.00 36.82 35.35 1bwe h ILE 68 CO 0.03 0.15 -0.08 -0.61 -0.68 0.00 0.00 178.15 176.96 1bwe h GLN 69 N 0.13 0.01 -0.31 2.37 5.75 -0.88 -0.01 115.11 122.18 1bwe h GLN 69 Ca 0.06 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1bwe h GLN 69 Cb 0.16 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 1bwe h GLN 69 CO -0.01 0.01 0.15 -0.22 -2.65 0.00 0.00 178.83 176.12 1bwe h LYS 70 N 0.01 0.44 -0.73 1.69 1.63 -0.39 0.72 116.57 119.94 1bwe h LYS 70 Ca 0.18 -0.06 0.04 0.00 -0.85 0.00 0.00 60.65 59.96 1bwe h LYS 70 Cb 0.27 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.76 1bwe h LYS 70 CO -0.36 0.41 0.45 -0.91 -3.45 0.00 0.00 179.45 175.58 1bwe h ASN 71 N 0.36 0.71 0.81 4.20 2.35 -0.28 0.36 115.58 124.09 1bwe h ASN 71 Ca 0.11 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 1bwe h ASN 71 Cb 0.11 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1bwe h ASN 71 CO -0.01 0.47 -0.45 -0.09 -1.65 0.00 0.00 177.43 175.70 1bwe h ARG 72 N 0.85 -1.12 -0.27 0.81 2.43 -0.56 -3.32 114.38 113.20 1bwe h ARG 72 Ca 0.31 0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.62 1bwe h ARG 72 Cb 0.10 0.25 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 1bwe h ARG 72 CO -0.14 -0.75 -0.14 0.22 -1.51 0.00 0.00 179.97 177.65 1bwe h ASP 73 N -1.16 -0.46 -0.65 -3.80 1.82 -0.63 -3.10 116.42 108.44 1bwe h ASP 73 Ca -0.11 0.11 0.15 0.00 -0.39 0.00 0.00 57.03 56.79 1bwe h ASP 73 Cb 0.92 0.25 -0.12 0.00 0.68 0.00 0.00 39.33 41.05 1bwe h ASP 73 CO 0.14 -0.17 -0.08 0.49 -1.61 0.00 0.00 179.24 178.00 1bwe n PHE 74 N -5.31 0.31 0.37 0.28 3.72 0.10 -0.49 117.46 116.45 1bwe n PHE 74 Ca -0.00 0.79 0.04 0.00 -0.05 0.00 0.00 57.45 58.23 1bwe n PHE 74 Cb 0.22 -0.93 0.00 0.00 -0.94 0.00 0.00 39.48 37.84 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 -4.97 0.00 0.00 1.38 3.72 -1.21 -4.49 117.46 111.90 1bwe n PHE 75 Ca 0.13 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.35 1bwe n PHE 75 Cb 0.40 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.80 1bwe n PHE 75 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1bwe h LYS 76 N 1.02 0.20 0.00 -1.08 6.56 -0.71 -3.53 116.57 119.03 1bwe h LYS 76 Ca 0.00 -0.35 0.00 0.00 -1.06 0.00 0.00 60.65 59.24 1bwe h LYS 76 Cb 0.29 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 1bwe h LYS 76 CO 0.00 1.03 0.00 1.17 -2.06 0.00 0.00 179.45 179.59