#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 3.60 -0.01 0.00 2.02 -1.26 -1.48 117.35 120.21 1bwe s TYR 2 Ca 0.00 0.52 -0.02 0.00 -0.37 0.00 0.00 57.07 57.20 1bwe s TYR 2 Cb 0.00 -1.93 -0.00 0.00 -0.40 0.00 0.00 41.96 39.63 1bwe s TYR 2 CO 0.00 0.72 0.04 0.08 -1.57 0.00 0.00 175.55 174.82 1bwe s VAL 3 N -1.08 0.03 0.86 0.71 1.01 0.60 -4.69 120.40 117.84 1bwe s VAL 3 Ca 0.17 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1bwe s VAL 3 Cb -0.12 -0.15 0.11 0.00 0.00 0.00 0.00 36.38 36.21 1bwe s VAL 3 CO 0.07 -0.15 1.11 0.27 0.00 0.00 0.00 175.10 176.39 1bwe s ILE 4 N -0.45 2.72 0.29 2.22 -5.25 -1.26 -1.10 121.20 118.38 1bwe s ILE 4 Ca -0.05 0.23 -0.06 0.00 -0.99 0.00 0.00 60.65 59.78 1bwe s ILE 4 Cb -0.03 -2.54 -0.00 0.00 2.95 0.00 0.00 42.46 42.84 1bwe s ILE 4 CO -0.00 -0.31 0.44 0.42 -1.79 0.00 0.00 174.94 173.70 1bwe s THR 5 N -2.80 0.00 0.00 8.37 -4.23 -1.13 -4.71 115.64 111.14 1bwe s THR 5 Ca 0.64 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 1bwe s THR 5 Cb -0.20 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.16 1bwe s THR 5 CO 0.57 0.00 0.00 1.21 -0.54 0.00 0.00 174.62 175.86 1bwe n GLU 6 N -0.47 0.00 0.23 3.99 4.07 -1.26 -0.69 120.64 126.52 1bwe n GLU 6 Ca 0.00 0.00 0.16 0.00 -0.06 0.00 0.00 57.16 57.26 1bwe n GLU 6 Cb 0.62 0.00 0.80 0.00 -0.06 0.00 0.00 31.44 32.80 1bwe n GLU 6 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1bwe h PRO 7 N 0.00 0.00 -0.08 5.31 0.11 -1.98 -0.88 132.00 134.48 1bwe h PRO 7 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 1bwe h PRO 7 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1bwe h PRO 7 CO 0.00 0.00 -0.24 0.00 -0.21 0.00 0.00 178.00 177.55 1bwe s ILE 9 N -4.49 3.28 -0.41 0.00 1.09 -0.34 -4.74 121.20 115.59 1bwe s ILE 9 Ca -0.04 -0.19 0.04 0.00 -1.10 0.00 0.00 60.65 59.36 1bwe s ILE 9 Cb 0.15 -3.63 0.17 0.00 -1.06 0.00 0.00 42.46 38.09 1bwe s ILE 9 CO 0.73 -0.60 0.45 -0.83 -0.10 0.00 0.00 174.94 174.60 1bwe s GLY 10 N 9.17 -0.01 0.00 6.18 0.00 -1.26 -5.09 107.32 116.31 1bwe s GLY 10 Ca 0.79 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 44.29 1bwe s GLY 10 CO 0.05 2.80 0.00 -0.37 0.00 0.00 0.00 173.10 175.58 1bwe n THR 11 N 3.61 0.00 -3.76 0.90 5.66 -1.26 -2.22 114.28 117.21 1bwe n THR 11 Ca 0.18 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.91 1bwe n THR 11 Cb 0.48 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.31 1bwe n THR 11 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1bwe n LYS 12 N 0.00 -6.41 -0.21 1.09 5.02 0.82 -4.91 118.16 113.56 1bwe n LYS 12 Ca 0.00 0.70 -0.03 0.00 -2.02 0.00 0.00 58.31 56.96 1bwe n LYS 12 Cb 0.00 -5.62 0.04 0.00 -0.02 0.00 0.00 35.03 29.42 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 -3.12 0.00 0.00 0.00 0.00 -1.26 -4.89 120.51 111.24 1bwe n ALA 14 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1bwe n ALA 14 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 8.40 0.00 -3.35 0.00 7.64 -1.26 -4.64 113.62 120.41 1bwe n SER 15 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1bwe n SER 15 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 4.19 0.13 0.00 0.00 -7.23 -1.26 -4.88 120.40 111.35 1bwe s VAL 17 Ca 0.45 -1.10 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 1bwe s VAL 17 Cb 0.11 -0.56 0.00 0.00 0.56 0.00 0.00 36.38 36.49 1bwe s VAL 17 CO 0.04 -0.61 0.00 -0.62 -0.31 0.00 0.00 175.10 173.60 1bwe n GLU 18 N 1.24 0.00 0.04 4.82 1.02 -1.26 -4.62 120.64 121.88 1bwe n GLU 18 Ca -0.22 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 56.95 1bwe n GLU 18 Cb 0.56 -3.84 -0.07 0.00 -0.02 0.00 0.00 31.44 28.07 1bwe n GLU 18 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1bwe n VAL 19 N -1.97 1.06 -2.33 2.62 0.24 -1.26 -4.92 118.33 111.77 1bwe n VAL 19 Ca 0.00 -0.66 -0.42 0.00 -2.04 0.00 0.00 64.34 61.21 1bwe n VAL 19 Cb 0.00 -0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 31.70 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 7.61 0.13 0.00 0.00 0.10 -2.01 -1.96 132.00 135.87 1bwe h PRO 21 Ca -0.37 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.73 1bwe h PRO 21 Cb 1.17 -0.03 0.00 0.00 0.10 0.00 0.00 31.00 32.24 1bwe h PRO 21 CO 0.89 0.09 -0.03 1.33 0.10 0.00 0.00 178.00 180.38 1bwe n VAL 22 N -4.39 1.77 -4.13 3.15 0.24 -1.26 -5.03 118.33 108.69 1bwe n VAL 22 Ca 0.15 -2.13 -0.40 0.00 -2.04 0.00 0.00 64.34 59.92 1bwe n VAL 22 Cb 0.71 -0.19 -0.02 0.00 -1.47 0.00 0.00 33.84 32.87 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 -1.35 -2.44 -1.85 -1.34 2.03 -0.74 -4.87 116.55 105.99 1bwe n ASP 23 Ca 0.15 -1.27 -0.21 0.00 0.52 0.00 0.00 54.79 53.98 1bwe n ASP 23 Cb 0.64 -1.81 0.10 0.00 -0.72 0.00 0.00 41.12 39.34 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 -4.16 2.83 0.27 0.00 -0.00 -1.26 -1.13 121.20 117.75 1bwe s ILE 25 Ca 0.53 -0.76 0.01 0.00 -0.00 0.00 0.00 60.65 60.44 1bwe s ILE 25 Cb 0.44 -2.15 -0.03 0.00 -0.00 0.00 0.00 42.46 40.72 1bwe s ILE 25 CO 0.02 0.54 0.26 -1.00 -0.00 0.00 0.00 174.94 174.76 1bwe s HIS 26 N 0.14 1.31 0.26 1.37 3.76 0.79 -4.97 115.29 117.95 1bwe s HIS 26 Ca -0.08 -1.42 0.08 0.00 -0.15 0.00 0.00 55.06 53.48 1bwe s HIS 26 Cb -0.15 -0.49 -0.04 0.00 1.11 0.00 0.00 32.58 33.01 1bwe s HIS 26 CO 0.05 -0.83 0.15 -1.21 -0.85 0.00 0.00 174.74 172.05 1bwe s GLU 27 N -3.72 2.73 -0.51 1.40 2.02 -1.26 0.22 118.70 119.57 1bwe s GLU 27 Ca 0.37 -1.18 0.07 0.00 0.02 0.00 0.00 54.97 54.26 1bwe s GLU 27 Cb 0.04 -2.44 0.27 0.00 0.10 0.00 0.00 34.13 32.10 1bwe s GLU 27 CO 0.19 0.37 0.69 0.41 0.02 0.00 0.00 175.26 176.94 1bwe n GLY 28 N -1.11 4.09 5.00 -1.39 0.00 0.39 -4.81 105.19 107.36 1bwe n GLY 28 Ca -0.07 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.72 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 0.85 0.00 -0.01 1.61 4.71 -1.26 -3.10 120.64 123.43 1bwe n GLU 29 Ca 0.26 0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.50 1bwe n GLU 29 Cb 0.48 0.00 -0.15 0.00 -1.01 0.00 0.00 31.44 30.75 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 0.88 0.43 -3.91 1.62 2.03 -1.26 -4.85 116.55 111.49 1bwe n ASP 30 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 1bwe n ASP 30 Cb 0.00 1.87 -0.07 0.00 -0.72 0.00 0.00 41.12 42.20 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 -3.34 1.02 0.58 -0.67 -2.07 -1.18 -0.12 119.66 113.87 1bwe s GLN 31 Ca -0.07 -1.07 -0.07 0.00 -1.82 0.00 0.00 55.36 52.33 1bwe s GLN 31 Cb 0.12 0.36 -0.01 0.00 -1.09 0.00 0.00 33.01 32.40 1bwe s GLN 31 CO 0.83 -0.35 0.91 0.71 -1.32 0.00 0.00 175.29 176.06 1bwe s TYR 32 N -3.92 3.40 -0.09 9.60 1.51 -1.26 -0.46 117.35 126.14 1bwe s TYR 32 Ca 0.11 0.82 -0.04 0.00 -1.01 0.00 0.00 57.07 56.95 1bwe s TYR 32 Cb 0.04 -2.64 0.04 0.00 -0.11 0.00 0.00 41.96 39.29 1bwe s TYR 32 CO -0.05 -0.69 0.20 0.71 -1.11 0.00 0.00 175.55 174.61 1bwe s TYR 33 N -2.98 -0.25 -0.16 2.71 2.02 0.13 -4.74 117.35 114.08 1bwe s TYR 33 Ca 0.53 0.63 -0.04 0.00 -0.37 0.00 0.00 57.07 57.82 1bwe s TYR 33 Cb -0.11 0.00 -0.03 0.00 -0.40 0.00 0.00 41.96 41.43 1bwe s TYR 33 CO 0.47 -0.19 -0.03 0.42 -1.57 0.00 0.00 175.55 174.65 1bwe s ILE 34 N 1.06 3.93 -0.24 2.71 1.01 -1.26 -0.15 121.20 128.27 1bwe s ILE 34 Ca -0.08 -0.34 -0.29 0.00 0.00 0.00 0.00 60.65 59.94 1bwe s ILE 34 Cb -0.10 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 1bwe s ILE 34 CO -0.06 0.48 1.66 -0.62 0.00 0.00 0.00 174.94 176.40 1bwe s ASP 35 N 0.43 6.28 0.47 3.58 -1.08 -0.29 -4.78 116.67 121.28 1bwe s ASP 35 Ca -0.03 1.57 0.17 0.00 -0.52 0.00 0.00 52.55 53.75 1bwe s ASP 35 Cb -0.14 -2.53 1.13 0.00 -1.46 0.00 0.00 42.92 39.92 1bwe s ASP 35 CO 0.03 -1.35 2.03 -0.65 0.52 0.00 0.00 175.17 175.74 1bwe h PRO 36 N 11.17 0.00 0.03 4.34 0.11 -1.84 -0.49 132.00 145.32 1bwe h PRO 36 Ca -0.34 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.51 1bwe h PRO 36 Cb 1.16 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1bwe h PRO 36 CO 1.01 0.15 -1.39 0.22 -0.21 0.00 0.00 178.00 177.78 1bwe h ASP 37 N 0.00 0.10 0.83 -2.05 1.82 -1.93 -3.34 116.42 111.85 1bwe h ASP 37 Ca -0.00 -0.14 -0.21 0.00 -0.39 0.00 0.00 57.03 56.29 1bwe h ASP 37 Cb 0.29 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.24 1bwe h ASP 37 CO 0.02 1.12 -1.26 0.58 -1.61 0.00 0.00 179.24 178.09 1bwe h VAL 38 N 0.02 1.02 -2.27 2.25 2.07 -1.89 -3.45 116.25 114.00 1bwe h VAL 38 Ca -0.17 -2.67 -0.55 0.00 0.82 0.00 0.00 66.70 64.13 1bwe h VAL 38 Cb 1.92 2.45 0.02 0.00 -1.52 0.00 0.00 31.29 34.16 1bwe h VAL 38 CO 0.12 0.58 1.22 0.00 0.02 0.00 0.00 177.57 179.51 1bwe n ILE 40 N 5.58 2.49 -3.96 0.00 -5.35 -1.26 -4.73 119.36 112.14 1bwe n ILE 40 Ca 0.21 -1.36 -0.40 0.00 -0.27 0.00 0.00 62.75 60.93 1bwe n ILE 40 Cb 0.39 -0.88 0.02 0.00 -1.74 0.00 0.00 39.64 37.43 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 -0.29 -4.09 -2.98 7.28 8.00 -1.26 -5.00 116.55 118.21 1bwe n ASP 41 Ca 0.35 -1.20 -0.09 0.00 0.71 0.00 0.00 54.79 54.56 1bwe n ASP 41 Cb 1.01 -2.29 0.05 0.00 -0.02 0.00 0.00 41.12 39.86 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 -3.55 1.50 0.00 0.00 0.00 -1.26 -4.94 107.32 99.08 1bwe s GLY 43 Ca 0.27 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 43.12 1bwe s GLY 43 CO 0.18 1.05 0.00 0.00 0.00 0.00 0.00 173.10 174.33 1bwe n ALA 44 N 4.54 0.00 -0.26 3.20 0.00 -1.26 -4.99 120.51 121.74 1bwe n ALA 44 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.45 1bwe n ALA 44 Cb 0.43 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.07 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 0.42 1.15 -0.13 0.00 3.07 -1.92 -0.25 114.58 116.92 1bwe h GLU 46 Ca 0.43 -0.14 -0.19 0.00 -0.50 0.00 0.00 59.36 58.95 1bwe h GLU 46 Cb 0.68 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1bwe h GLU 46 CO -0.43 0.86 -0.71 0.00 -1.40 0.00 0.00 179.01 177.33 1bwe h ALA 47 N 1.32 0.52 -0.43 3.43 0.00 -1.52 -3.28 119.26 119.30 1bwe h ALA 47 Ca 0.29 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1bwe h ALA 47 Cb 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1bwe h ALA 47 CO -0.04 0.72 0.02 0.28 0.00 0.00 0.00 179.25 180.23 1bwe h VAL 48 N 0.40 1.26 -1.97 0.00 2.07 -0.15 -3.41 116.25 114.44 1bwe h VAL 48 Ca -0.03 -0.98 -0.59 0.00 0.82 0.00 0.00 66.70 65.92 1bwe h VAL 48 Cb 1.30 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1bwe h VAL 48 CO 0.13 0.34 1.40 0.00 0.02 0.00 0.00 177.57 179.46 1bwe n PRO 50 N 8.29 1.26 0.00 0.00 -0.04 -1.26 -1.53 135.00 141.71 1bwe n PRO 50 Ca 0.28 -0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1bwe n PRO 50 Cb 0.41 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1bwe n PRO 50 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1bwe n VAL 51 N 1.70 0.00 -3.37 0.52 3.14 -1.26 -5.07 118.33 113.99 1bwe n VAL 51 Ca 0.11 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.29 1bwe n VAL 51 Cb 0.60 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.44 1bwe n VAL 51 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1bwe n SER 52 N -0.87 -6.22 0.19 6.55 7.64 -0.58 -4.92 113.62 115.40 1bwe n SER 52 Ca 0.00 -0.80 0.07 0.00 1.01 0.00 0.00 58.87 59.16 1bwe n SER 52 Cb 0.00 -4.70 0.26 0.00 -1.01 0.00 0.00 64.21 58.76 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 0.19 0.88 -2.07 -0.43 0.00 -1.88 -3.43 119.26 112.53 1bwe h ALA 53 Ca -0.63 -0.28 -0.56 0.00 0.00 0.00 0.00 54.91 53.44 1bwe h ALA 53 Cb 1.32 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 1bwe h ALA 53 CO 0.45 0.39 1.01 0.42 0.00 0.00 0.00 179.25 181.52 1bwe s ILE 54 N -3.34 3.99 0.33 0.00 1.01 -1.26 -2.81 121.20 119.12 1bwe s ILE 54 Ca 0.03 1.15 0.07 0.00 0.00 0.00 0.00 60.65 61.90 1bwe s ILE 54 Cb 0.09 -3.91 -0.07 0.00 0.01 0.00 0.00 42.46 38.59 1bwe s ILE 54 CO 0.68 -0.28 -0.04 -0.31 0.00 0.00 0.00 174.94 174.99 1bwe s TYR 55 N 4.32 2.22 0.44 3.97 2.02 -0.26 -4.89 117.35 125.17 1bwe s TYR 55 Ca 0.62 -0.65 -0.24 0.00 -0.37 0.00 0.00 57.07 56.43 1bwe s TYR 55 Cb -0.22 -1.36 -0.08 0.00 -0.40 0.00 0.00 41.96 39.90 1bwe s TYR 55 CO 0.23 0.39 1.17 -1.58 -1.57 0.00 0.00 175.55 174.19 1bwe s HIS 56 N -2.85 2.94 0.25 2.71 2.46 -1.26 -0.29 115.29 119.25 1bwe s HIS 56 Ca 0.32 1.54 -0.04 0.00 0.47 0.00 0.00 55.06 57.36 1bwe s HIS 56 Cb 0.05 -3.40 0.47 0.00 -0.13 0.00 0.00 32.58 29.58 1bwe s HIS 56 CO 0.15 -1.46 1.73 1.49 -2.47 0.00 0.00 174.74 174.18 1bwe h GLU 57 N 2.29 0.46 0.00 2.88 4.22 -1.60 0.19 114.58 123.02 1bwe h GLU 57 Ca -0.49 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.92 1bwe h GLU 57 Cb 1.24 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1bwe h GLU 57 CO 0.61 0.30 0.00 0.38 -2.18 0.00 0.00 179.01 178.12 1bwe h ASP 58 N 0.47 0.00 0.36 1.04 2.03 -1.91 -2.28 116.42 116.12 1bwe h ASP 58 Ca 0.42 0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 56.40 1bwe h ASP 58 Cb 0.63 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.16 1bwe h ASP 58 CO -0.40 0.00 -1.46 -0.26 -1.03 0.00 0.00 179.24 176.09 1bwe h PHE 59 N 0.00 0.82 -2.46 4.15 -1.00 -1.01 -3.46 116.94 113.97 1bwe h PHE 59 Ca 0.00 -0.60 -0.53 0.00 2.81 0.00 0.00 57.97 59.65 1bwe h PHE 59 Cb 0.40 -0.03 0.02 0.00 3.61 0.00 0.00 35.95 39.94 1bwe h PHE 59 CO 0.00 1.50 1.17 0.08 -1.61 0.00 0.00 178.31 179.45 1bwe s VAL 60 N -2.61 3.06 0.57 -0.55 1.01 -0.78 -4.94 120.40 116.15 1bwe s VAL 60 Ca -0.08 0.19 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 1bwe s VAL 60 Cb 0.05 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.25 1bwe s VAL 60 CO 0.92 -0.01 0.92 -2.65 0.00 0.00 0.00 175.10 174.28 1bwe n PRO 61 N 7.07 0.94 -0.32 2.72 -0.02 -1.26 -4.56 135.00 139.57 1bwe n PRO 61 Ca 0.19 0.36 0.08 0.00 -2.02 0.00 0.00 63.50 62.11 1bwe n PRO 61 Cb 0.41 -2.10 0.24 0.00 -0.02 0.00 0.00 33.50 32.04 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 0.65 0.73 -0.83 -0.52 4.57 -1.97 0.28 114.58 117.50 1bwe h GLU 62 Ca -0.47 -0.04 0.19 0.00 -1.18 0.00 0.00 59.36 57.85 1bwe h GLU 62 Cb 1.36 -0.17 -0.15 0.00 -0.16 0.00 0.00 28.75 29.64 1bwe h GLU 62 CO 0.51 0.49 -0.04 0.93 -1.18 0.00 0.00 179.01 179.72 1bwe h GLU 63 N 0.76 0.06 -0.00 1.92 3.07 -2.03 -1.32 114.58 117.04 1bwe h GLU 63 Ca 0.49 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 1bwe h GLU 63 Cb 0.64 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1bwe h GLU 63 CO -0.33 0.04 -0.68 0.91 -1.40 0.00 0.00 179.01 177.55 1bwe n TRP 64 N -5.42 0.00 0.23 4.33 8.01 0.54 -3.80 117.44 121.33 1bwe n TRP 64 Ca 0.15 0.00 0.16 0.00 -1.31 0.00 0.00 57.50 56.50 1bwe n TRP 64 Cb 0.53 -0.09 0.83 0.00 -2.01 0.00 0.00 31.31 30.57 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 0.54 0.00 -0.60 -0.99 1.57 0.61 0.58 116.57 118.28 1bwe h LYS 65 Ca 0.00 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.90 1bwe h LYS 65 Cb 0.54 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.76 1bwe h LYS 65 CO 0.00 0.00 0.06 0.66 -0.57 0.00 0.00 179.45 179.60 1bwe h SER 66 N 0.00 -0.15 -0.52 0.86 4.64 -1.65 0.17 113.55 116.90 1bwe h SER 66 Ca 0.00 0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1bwe h SER 66 Cb 0.00 0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 1bwe h SER 66 CO 0.00 -0.06 0.16 1.88 -0.87 0.00 0.00 176.83 177.93 1bwe h TYR 67 N 0.18 0.90 -0.34 4.77 0.05 -1.17 -0.55 116.97 120.80 1bwe h TYR 67 Ca 0.32 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 59.00 1bwe h TYR 67 Cb 0.50 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 1bwe h TYR 67 CO -0.31 0.74 0.15 0.82 -1.05 0.00 0.00 178.16 178.50 1bwe h ILE 68 N 0.84 1.18 -0.60 -2.88 5.03 -1.02 0.29 117.51 120.34 1bwe h ILE 68 Ca 0.19 -0.54 0.07 0.00 -0.12 0.00 0.00 64.86 64.46 1bwe h ILE 68 Cb 0.28 0.90 -0.06 0.00 -3.03 0.00 0.00 36.82 34.91 1bwe h ILE 68 CO -0.00 0.19 0.29 -0.61 -0.68 0.00 0.00 178.15 177.34 1bwe h GLN 69 N 0.41 0.53 -0.31 2.37 5.75 -0.49 0.22 115.11 123.58 1bwe h GLN 69 Ca 0.12 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 1bwe h GLN 69 Cb 0.17 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1bwe h GLN 69 CO -0.01 0.35 0.09 -0.22 -2.65 0.00 0.00 178.83 176.39 1bwe h LYS 70 N 0.54 0.48 -0.88 1.69 1.63 -0.20 0.14 116.57 119.97 1bwe h LYS 70 Ca 0.28 -0.10 0.09 0.00 -0.85 0.00 0.00 60.65 60.07 1bwe h LYS 70 Cb 0.24 -0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.73 1bwe h LYS 70 CO -0.22 0.53 0.53 -0.91 -3.45 0.00 0.00 179.45 175.93 1bwe h ASN 71 N 0.34 0.79 0.70 4.20 2.35 -0.16 0.53 115.58 124.33 1bwe h ASN 71 Ca 0.10 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1bwe h ASN 71 Cb 0.25 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.50 1bwe h ASN 71 CO -0.00 0.46 -0.34 -0.09 -1.65 0.00 0.00 177.43 175.82 1bwe h ARG 72 N 0.91 -0.90 -0.55 0.81 2.43 -0.00 -3.29 114.38 113.78 1bwe h ARG 72 Ca 0.41 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.72 1bwe h ARG 72 Cb 0.33 0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.02 1bwe h ARG 72 CO -0.23 -0.57 0.22 0.22 -1.51 0.00 0.00 179.97 178.10 1bwe h ASP 73 N -1.13 0.24 -0.74 -3.80 3.58 -0.57 -3.21 116.42 110.80 1bwe h ASP 73 Ca -0.10 0.06 0.12 0.00 0.42 0.00 0.00 57.03 57.53 1bwe h ASP 73 Cb 0.75 0.03 -0.12 0.00 1.72 0.00 0.00 39.33 41.71 1bwe h ASP 73 CO 0.16 0.16 -0.27 0.49 -2.88 0.00 0.00 179.24 176.89 1bwe n PHE 74 N -4.97 0.06 0.51 0.28 3.72 0.16 -0.94 117.46 116.28 1bwe n PHE 74 Ca 0.06 0.91 0.08 0.00 -0.05 0.00 0.00 57.45 58.45 1bwe n PHE 74 Cb 0.22 -0.80 0.09 0.00 -0.94 0.00 0.00 39.48 38.05 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 -5.10 0.11 0.86 1.38 3.72 -1.22 -4.52 117.46 112.69 1bwe n PHE 75 Ca 0.08 -0.09 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 1bwe n PHE 75 Cb 0.31 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.77 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 0.91 1.08 0.00 -1.08 4.01 -0.11 -5.17 118.16 117.79 1bwe n LYS 76 Ca 0.11 -0.24 0.00 0.00 -0.51 0.00 0.00 58.31 57.67 1bwe n LYS 76 Cb 0.42 -1.37 0.00 0.00 -0.51 0.00 0.00 35.03 33.57 1bwe n LYS 76 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65