#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 3.65 0.01 0.00 1.51 -1.26 -1.24 117.35 120.02 1bwe s TYR 2 Ca 0.00 0.99 0.01 0.00 -1.01 0.00 0.00 57.07 57.06 1bwe s TYR 2 Cb 0.00 -2.42 -0.01 0.00 -0.11 0.00 0.00 41.96 39.42 1bwe s TYR 2 CO 0.00 0.45 -0.05 0.08 -1.11 0.00 0.00 175.55 174.92 1bwe s VAL 3 N -0.41 0.37 0.79 0.71 1.01 0.58 -4.79 120.40 118.65 1bwe s VAL 3 Ca 0.25 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 1bwe s VAL 3 Cb -0.16 -0.35 0.07 0.00 0.00 0.00 0.00 36.38 35.94 1bwe s VAL 3 CO 0.13 -0.00 1.13 0.27 0.00 0.00 0.00 175.10 176.62 1bwe s ILE 4 N -0.37 2.75 0.05 2.22 -5.25 -1.26 -1.44 121.20 117.90 1bwe s ILE 4 Ca -0.01 0.28 -0.07 0.00 -0.99 0.00 0.00 60.65 59.86 1bwe s ILE 4 Cb -0.03 -2.64 -0.01 0.00 2.95 0.00 0.00 42.46 42.73 1bwe s ILE 4 CO -0.00 -0.28 0.13 0.42 -1.79 0.00 0.00 174.94 173.42 1bwe s THR 5 N -2.59 0.14 0.00 8.37 -4.23 -0.98 -4.82 115.64 111.53 1bwe s THR 5 Ca 0.66 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1bwe s THR 5 Cb -0.21 -1.04 0.00 0.00 1.34 0.00 0.00 72.50 72.59 1bwe s THR 5 CO 0.53 -0.61 0.00 1.21 -0.54 0.00 0.00 174.62 175.20 1bwe n GLU 6 N 0.53 0.00 0.08 3.99 2.13 -1.26 -0.71 120.64 125.39 1bwe n GLU 6 Ca -0.18 0.00 0.21 0.00 0.66 0.00 0.00 57.16 57.85 1bwe n GLU 6 Cb 0.60 0.00 0.74 0.00 0.27 0.00 0.00 31.44 33.05 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 -0.70 5.31 0.11 -1.98 0.54 132.00 135.28 1bwe h PRO 7 Ca 0.00 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.15 1bwe h PRO 7 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 1bwe h PRO 7 CO 0.00 0.00 0.46 0.00 -0.21 0.00 0.00 178.00 178.25 1bwe s ILE 9 N -5.71 4.10 0.00 0.00 1.09 0.18 -4.42 121.20 116.44 1bwe s ILE 9 Ca -0.10 1.75 0.00 0.00 -1.10 0.00 0.00 60.65 61.20 1bwe s ILE 9 Cb 0.19 -3.97 0.00 0.00 -1.06 0.00 0.00 42.46 37.61 1bwe s ILE 9 CO 0.77 0.15 0.00 0.61 -0.10 0.00 0.00 174.94 176.37 1bwe n GLY 10 N 0.59 1.21 3.63 6.18 0.00 -1.26 -5.05 105.19 110.49 1bwe n GLY 10 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 1bwe n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwe s THR 11 N -2.00 -0.06 -0.97 2.61 2.01 -1.26 -5.08 115.64 110.89 1bwe s THR 11 Ca 0.00 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.76 1bwe s THR 11 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1bwe s THR 11 CO 0.00 0.00 1.90 -0.75 -0.69 0.00 0.00 174.62 175.08 1bwe s LYS 12 N 1.52 2.67 0.89 4.92 2.36 -1.25 -4.28 119.74 126.56 1bwe s LYS 12 Ca -0.09 -0.56 -0.12 0.00 -2.55 0.00 0.00 55.97 52.65 1bwe s LYS 12 Cb -0.04 -5.13 0.12 0.00 -1.05 0.00 0.00 37.83 31.73 1bwe s LYS 12 CO -0.16 -3.36 1.12 0.00 1.55 0.00 0.00 175.35 174.49 1bwe n ALA 14 N -3.73 -2.01 0.14 0.00 0.00 -1.26 -4.94 120.51 108.71 1bwe n ALA 14 Ca 0.07 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1bwe n ALA 14 Cb 0.58 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 1.83 -0.56 -3.89 0.00 7.64 -1.26 -4.92 113.62 112.46 1bwe n SER 15 Ca 0.09 0.50 -0.40 0.00 1.01 0.00 0.00 58.87 60.06 1bwe n SER 15 Cb 0.64 0.72 -0.05 0.00 -1.01 0.00 0.00 64.21 64.52 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 5.86 0.11 0.00 0.00 -7.23 -1.26 -4.83 120.40 113.05 1bwe s VAL 17 Ca 0.58 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.85 1bwe s VAL 17 Cb 0.11 -0.67 0.00 0.00 0.56 0.00 0.00 36.38 36.37 1bwe s VAL 17 CO 0.09 -0.49 0.00 1.21 -0.31 0.00 0.00 175.10 175.60 1bwe n GLU 18 N 1.08 0.00 0.02 4.82 2.13 -1.26 -4.61 120.64 122.81 1bwe n GLU 18 Ca -0.21 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.63 1bwe n GLU 18 Cb 0.57 -3.49 -0.10 0.00 0.27 0.00 0.00 31.44 28.69 1bwe n GLU 18 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1bwe n VAL 19 N -1.76 0.92 -2.08 6.31 3.14 -1.26 -4.92 118.33 118.67 1bwe n VAL 19 Ca 0.00 -0.66 -0.42 0.00 -2.96 0.00 0.00 64.34 60.30 1bwe n VAL 19 Cb 0.00 -0.51 -0.03 0.00 -1.06 0.00 0.00 33.84 32.24 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 5.06 -0.07 -0.01 0.00 -0.02 -1.26 -1.26 135.00 137.45 1bwe n PRO 21 Ca 0.14 1.33 0.00 0.00 -2.02 0.00 0.00 63.50 62.95 1bwe n PRO 21 Cb 0.42 -2.22 0.01 0.00 -0.02 0.00 0.00 33.50 31.69 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 -5.23 0.71 -1.15 -1.45 0.24 -1.26 -5.12 118.33 105.07 1bwe n VAL 22 Ca 0.27 -0.85 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 1bwe n VAL 22 Cb 0.90 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 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 -0.29 -6.18 0.00 -1.34 2.03 -0.39 -5.12 116.55 105.27 1bwe n ASP 23 Ca 0.01 1.37 0.00 0.00 0.52 0.00 0.00 54.79 56.68 1bwe n ASP 23 Cb 0.19 -3.43 0.00 0.00 -0.72 0.00 0.00 41.12 37.16 1bwe n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bwe n ILE 25 N 0.00 0.00 -4.11 0.00 -6.64 -1.24 -4.79 119.36 102.59 1bwe n ILE 25 Ca 0.00 0.00 -0.36 0.00 -1.77 0.00 0.00 62.75 60.62 1bwe n ILE 25 Cb 0.00 0.00 -0.08 0.00 -1.44 0.00 0.00 39.64 38.12 1bwe n ILE 25 CO 0.00 0.00 0.00 -1.00 -1.77 0.00 0.00 176.55 173.78 1bwe s HIS 26 N 0.00 3.37 0.08 4.28 3.76 0.16 -4.76 115.29 122.17 1bwe s HIS 26 Ca 0.00 0.33 -0.30 0.00 -0.15 0.00 0.00 55.06 54.94 1bwe s HIS 26 Cb 0.00 -1.89 -0.05 0.00 1.11 0.00 0.00 32.58 31.74 1bwe s HIS 26 CO 0.00 0.55 1.10 -1.21 -0.85 0.00 0.00 174.74 174.33 1bwe s GLU 27 N -0.79 4.53 -0.08 1.40 2.02 -1.26 0.80 118.70 125.32 1bwe s GLU 27 Ca 0.13 1.64 -0.26 0.00 0.02 0.00 0.00 54.97 56.49 1bwe s GLU 27 Cb -0.12 -3.36 -0.22 0.00 0.10 0.00 0.00 34.13 30.53 1bwe s GLU 27 CO 0.03 -0.08 0.97 0.78 0.02 0.00 0.00 175.26 176.98 1bwe h GLY 28 N 6.27 -0.03 0.00 -1.39 0.00 -1.36 -3.47 103.07 103.09 1bwe h GLY 28 Ca -0.42 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1bwe h GLY 28 CO 0.77 -0.01 0.00 -2.21 0.00 0.00 0.00 176.54 175.08 1bwe n GLU 29 N -4.76 0.00 -0.00 4.80 0.00 -1.26 -4.97 120.64 114.45 1bwe n GLU 29 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 56.99 1bwe n GLU 29 Cb 0.34 0.00 0.09 0.00 0.00 0.00 0.00 31.44 31.87 1bwe n GLU 29 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 1bwe h ASP 30 N 0.00 0.59 -4.17 4.31 2.03 -1.94 -3.45 116.42 113.79 1bwe h ASP 30 Ca 0.00 -0.28 -0.65 0.00 -0.73 0.00 0.00 57.03 55.37 1bwe h ASP 30 Cb 0.00 -0.17 -0.24 0.00 -0.83 0.00 0.00 39.33 38.09 1bwe h ASP 30 CO 0.00 0.97 -0.86 0.00 -1.03 0.00 0.00 179.24 178.31 1bwe s GLN 31 N -4.14 1.50 0.44 4.15 -2.07 -1.26 -0.63 119.66 117.65 1bwe s GLN 31 Ca -0.07 -1.15 -0.20 0.00 -1.82 0.00 0.00 55.36 52.12 1bwe s GLN 31 Cb 0.12 -1.77 -0.10 0.00 -1.09 0.00 0.00 33.01 30.16 1bwe s GLN 31 CO 0.83 0.44 0.94 0.71 -1.32 0.00 0.00 175.29 176.89 1bwe s TYR 32 N -0.93 3.34 -0.23 9.60 2.02 -1.26 -0.90 117.35 129.00 1bwe s TYR 32 Ca 0.11 1.55 0.02 0.00 -0.37 0.00 0.00 57.07 58.38 1bwe s TYR 32 Cb -0.10 -2.81 0.04 0.00 -0.40 0.00 0.00 41.96 38.69 1bwe s TYR 32 CO 0.03 -0.15 -0.14 0.71 -1.57 0.00 0.00 175.55 174.43 1bwe s TYR 33 N -2.26 3.05 -0.31 2.71 2.02 0.24 -4.86 117.35 117.94 1bwe s TYR 33 Ca 0.61 -1.99 -0.26 0.00 -0.37 0.00 0.00 57.07 55.06 1bwe s TYR 33 Cb -0.09 -1.93 0.01 0.00 -0.40 0.00 0.00 41.96 39.54 1bwe s TYR 33 CO 0.17 -0.84 0.90 0.42 -1.57 0.00 0.00 175.55 174.63 1bwe s ILE 34 N 1.19 4.68 -0.35 2.71 1.01 -1.26 -0.67 121.20 128.51 1bwe s ILE 34 Ca -0.02 1.41 -0.33 0.00 0.00 0.00 0.00 60.65 61.70 1bwe s ILE 34 Cb -0.17 -4.26 -0.10 0.00 0.01 0.00 0.00 42.46 37.94 1bwe s ILE 34 CO -0.08 -0.34 2.23 0.47 0.00 0.00 0.00 174.94 177.21 1bwe n ASP 35 N 6.46 2.30 0.22 3.58 9.92 -1.26 -4.87 116.55 132.90 1bwe n ASP 35 Ca 0.07 0.30 0.07 0.00 -0.53 0.00 0.00 54.79 54.71 1bwe n ASP 35 Cb 0.48 -1.33 0.49 0.00 -0.64 0.00 0.00 41.12 40.12 1bwe n ASP 35 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1bwe h PRO 36 N 13.35 0.00 -0.45 -0.24 0.13 -1.89 0.27 132.00 143.18 1bwe h PRO 36 Ca -0.29 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.75 1bwe h PRO 36 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1bwe h PRO 36 CO 1.03 0.27 -0.08 -0.44 -0.23 0.00 0.00 178.00 178.55 1bwe h ASP 37 N 0.00 0.86 0.14 1.44 5.19 -1.95 -3.36 116.42 118.73 1bwe h ASP 37 Ca -0.00 -0.35 -0.36 0.00 -0.62 0.00 0.00 57.03 55.70 1bwe h ASP 37 Cb 0.60 -0.23 -0.04 0.00 0.18 0.00 0.00 39.33 39.84 1bwe h ASP 37 CO 0.04 1.01 -2.09 0.52 -3.12 0.00 0.00 179.24 175.59 1bwe n VAL 38 N -4.29 1.68 -1.67 -1.35 0.31 -1.04 -4.91 118.33 107.07 1bwe n VAL 38 Ca -0.00 -0.66 -0.44 0.00 -0.01 0.00 0.00 64.34 63.22 1bwe n VAL 38 Cb 0.36 -1.52 -0.04 0.00 -0.91 0.00 0.00 33.84 31.74 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 5.41 2.49 -3.91 0.00 -5.35 -1.26 -4.69 119.36 112.06 1bwe n ILE 40 Ca 0.21 -1.37 -0.40 0.00 -0.27 0.00 0.00 62.75 60.92 1bwe n ILE 40 Cb 0.37 -1.07 0.03 0.00 -1.74 0.00 0.00 39.64 37.23 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 0.03 -4.67 -0.95 7.28 8.00 -1.26 -5.01 116.55 119.97 1bwe n ASP 41 Ca 0.30 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.62 1bwe n ASP 41 Cb 0.80 -2.40 0.00 0.00 -0.02 0.00 0.00 41.12 39.50 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 5.00 0.63 5.00 0.00 0.00 -1.26 -4.91 105.19 109.65 1bwe n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.00 0.00 -0.00 4.61 0.00 -1.26 -3.63 120.51 117.22 1bwe n ALA 44 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1bwe n ALA 44 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1bwe n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bwe s GLU 46 N -5.76 4.12 0.00 0.00 -6.30 -1.24 -1.13 118.70 108.40 1bwe s GLU 46 Ca -0.14 2.56 0.00 0.00 -2.50 0.00 0.00 54.97 54.90 1bwe s GLU 46 Cb 0.06 -3.00 0.00 0.00 0.00 0.00 0.00 34.13 31.19 1bwe s GLU 46 CO 0.68 -0.58 0.00 0.00 0.02 0.00 0.00 175.26 175.38 1bwe n ALA 47 N 1.45 0.00 0.08 6.30 0.00 -1.26 -4.75 120.51 122.33 1bwe n ALA 47 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.35 1bwe n ALA 47 Cb 0.38 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.70 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 1.40 -2.39 0.00 2.07 -1.17 -3.42 116.25 112.74 1bwe h VAL 48 Ca 0.00 -3.03 -0.55 0.00 0.82 0.00 0.00 66.70 63.94 1bwe h VAL 48 Cb 0.00 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1bwe h VAL 48 CO 0.00 0.87 1.25 0.00 0.02 0.00 0.00 177.57 179.71 1bwe n PRO 50 N 7.79 0.76 0.00 0.00 -0.04 -1.26 -1.59 135.00 140.66 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 0.43 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.46 0.00 -3.44 0.52 0.24 -1.26 -5.07 118.33 109.78 1bwe n VAL 51 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.10 1bwe n VAL 51 Cb 0.32 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.73 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 -0.38 -6.20 -0.17 -1.34 7.64 -0.62 -4.94 113.62 107.61 1bwe n SER 52 Ca 0.00 -0.73 0.12 0.00 1.01 0.00 0.00 58.87 59.27 1bwe n SER 52 Cb 0.00 -4.17 0.20 0.00 -1.01 0.00 0.00 64.21 59.23 1bwe n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwe n ALA 53 N -3.27 3.56 -2.68 -0.43 0.00 -1.26 -4.85 120.51 111.58 1bwe n ALA 53 Ca -0.09 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.49 1bwe n ALA 53 Cb 0.59 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.74 4.86 0.24 0.00 1.01 -1.26 -2.32 121.20 120.99 1bwe s ILE 54 Ca 0.17 1.76 0.01 0.00 0.00 0.00 0.00 60.65 62.59 1bwe s ILE 54 Cb 0.18 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 1bwe s ILE 54 CO 0.64 0.03 0.07 -0.31 0.00 0.00 0.00 174.94 175.37 1bwe s TYR 55 N 2.01 1.45 0.44 3.97 2.02 -0.52 -4.92 117.35 121.80 1bwe s TYR 55 Ca 0.42 -1.14 -0.25 0.00 -0.37 0.00 0.00 57.07 55.73 1bwe s TYR 55 Cb -0.17 -0.84 -0.08 0.00 -0.40 0.00 0.00 41.96 40.47 1bwe s TYR 55 CO 0.15 -0.31 1.33 -1.58 -1.57 0.00 0.00 175.55 173.57 1bwe s HIS 56 N -3.73 2.66 0.30 2.71 2.46 -1.26 -0.31 115.29 118.11 1bwe s HIS 56 Ca 0.34 1.38 0.05 0.00 0.47 0.00 0.00 55.06 57.30 1bwe s HIS 56 Cb 0.07 -3.73 0.73 0.00 -0.13 0.00 0.00 32.58 29.53 1bwe s HIS 56 CO 0.11 -2.37 1.75 1.05 -2.47 0.00 0.00 174.74 172.82 1bwe h GLU 57 N 2.37 0.64 -0.73 2.88 4.11 -1.50 0.33 114.58 122.67 1bwe h GLU 57 Ca -0.50 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 58.86 1bwe h GLU 57 Cb 1.26 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 1bwe h GLU 57 CO 0.61 0.42 0.34 0.22 0.07 0.00 0.00 179.01 180.67 1bwe h ASP 58 N 0.65 0.95 0.74 3.06 3.58 -1.90 -3.15 116.42 120.36 1bwe h ASP 58 Ca 0.57 -0.11 -0.20 0.00 0.42 0.00 0.00 57.03 57.71 1bwe h ASP 58 Cb 0.94 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 1bwe h ASP 58 CO -0.42 0.82 -0.92 -0.26 -2.88 0.00 0.00 179.24 175.58 1bwe h PHE 59 N 1.04 0.16 -2.10 0.28 -1.00 -0.77 -3.44 116.94 111.12 1bwe h PHE 59 Ca 0.25 -0.10 -0.61 0.00 2.81 0.00 0.00 57.97 60.33 1bwe h PHE 59 Cb 0.13 -0.01 0.04 0.00 3.61 0.00 0.00 35.95 39.71 1bwe h PHE 59 CO 0.01 0.96 0.91 0.28 -1.61 0.00 0.00 178.31 178.86 1bwe n VAL 60 N -3.56 0.26 -1.63 -0.55 0.31 -0.36 -4.92 118.33 107.89 1bwe n VAL 60 Ca -0.02 -0.05 -0.41 0.00 -0.01 0.00 0.00 64.34 63.85 1bwe n VAL 60 Cb 0.85 -1.62 0.02 0.00 -0.91 0.00 0.00 33.84 32.17 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 4.81 1.39 -0.32 5.55 -0.02 -1.26 -4.49 135.00 140.66 1bwe n PRO 61 Ca 0.20 0.50 0.11 0.00 -2.02 0.00 0.00 63.50 62.29 1bwe n PRO 61 Cb 0.28 -2.12 0.24 0.00 -0.02 0.00 0.00 33.50 31.88 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 1.49 0.04 -0.81 -0.52 3.07 -1.92 0.46 114.58 116.39 1bwe h GLU 62 Ca -0.46 -0.00 0.20 0.00 -0.50 0.00 0.00 59.36 58.60 1bwe h GLU 62 Cb 1.33 -0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 29.11 1bwe h GLU 62 CO 0.57 0.02 0.18 0.93 -1.40 0.00 0.00 179.01 179.31 1bwe h GLU 63 N 0.04 0.22 -0.01 2.33 3.07 -2.03 -1.45 114.58 116.75 1bwe h GLU 63 Ca 0.54 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1bwe h GLU 63 Cb 1.05 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1bwe h GLU 63 CO -0.87 0.14 -0.38 0.91 -1.40 0.00 0.00 179.01 177.42 1bwe n TRP 64 N -5.21 0.00 0.25 4.33 8.01 0.13 -3.85 117.44 121.10 1bwe n TRP 64 Ca 0.18 0.00 0.16 0.00 -1.31 0.00 0.00 57.50 56.53 1bwe n TRP 64 Cb 0.57 -0.04 0.86 0.00 -2.01 0.00 0.00 31.31 30.69 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 2.16 0.00 -0.85 -0.99 1.57 0.51 0.15 116.57 119.12 1bwe h LYS 65 Ca 0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 1bwe h LYS 65 Cb 0.68 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.90 1bwe h LYS 65 CO 0.00 0.00 0.43 0.66 -0.57 0.00 0.00 179.45 179.97 1bwe h SER 66 N 0.00 0.49 0.28 0.86 4.64 -1.67 0.42 113.55 118.58 1bwe h SER 66 Ca 0.00 0.10 -0.09 0.00 -0.47 0.00 0.00 61.79 61.33 1bwe h SER 66 Cb 0.04 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1bwe h SER 66 CO 0.00 0.18 -0.37 1.88 -0.87 0.00 0.00 176.83 177.66 1bwe h TYR 67 N 0.58 0.14 -0.28 4.77 0.05 -0.99 0.86 116.97 122.11 1bwe h TYR 67 Ca 0.48 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 59.19 1bwe h TYR 67 Cb 0.72 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.41 1bwe h TYR 67 CO -0.10 0.48 0.02 0.82 -1.05 0.00 0.00 178.16 178.33 1bwe h ILE 68 N 0.11 1.25 -0.29 -2.88 5.03 -1.04 0.23 117.51 119.92 1bwe h ILE 68 Ca 0.01 -0.87 0.05 0.00 -0.12 0.00 0.00 64.86 63.93 1bwe h ILE 68 Cb 0.70 1.27 -0.04 0.00 -3.03 0.00 0.00 36.82 35.72 1bwe h ILE 68 CO 0.05 0.28 0.02 -0.61 -0.68 0.00 0.00 178.15 177.21 1bwe h GLN 69 N 0.28 0.11 0.02 2.37 -0.00 -0.69 0.13 115.11 117.33 1bwe h GLN 69 Ca 0.08 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 1bwe h GLN 69 Cb 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.84 1bwe h GLN 69 CO 0.01 0.07 -0.04 -0.22 0.00 0.00 0.00 178.83 178.65 1bwe h LYS 70 N 0.11 -0.08 -0.99 1.69 1.63 -0.53 0.86 116.57 119.27 1bwe h LYS 70 Ca 0.14 0.01 0.12 0.00 -0.85 0.00 0.00 60.65 60.06 1bwe h LYS 70 Cb 0.17 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 31.74 1bwe h LYS 70 CO -0.21 -0.05 0.63 -0.91 -3.45 0.00 0.00 179.45 175.45 1bwe h ASN 71 N -0.08 0.90 0.53 4.20 2.35 -0.30 -0.94 115.58 122.24 1bwe h ASN 71 Ca 0.01 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1bwe h ASN 71 Cb 0.09 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.33 1bwe h ASN 71 CO -0.02 0.48 -0.25 -0.09 -1.65 0.00 0.00 177.43 175.89 1bwe h ARG 72 N 0.96 -0.68 -0.83 0.81 9.65 0.24 -3.25 114.38 121.28 1bwe h ARG 72 Ca 0.49 0.05 0.16 0.00 -1.10 0.00 0.00 59.98 59.58 1bwe h ARG 72 Cb 0.51 0.16 -0.10 0.00 -1.39 0.00 0.00 29.97 29.14 1bwe h ARG 72 CO -0.26 -0.39 0.38 0.22 2.80 0.00 0.00 179.97 182.72 1bwe h ASP 73 N -0.87 0.40 -0.91 -3.80 3.58 -0.29 0.84 116.42 115.37 1bwe h ASP 73 Ca -0.07 0.11 0.26 0.00 0.42 0.00 0.00 57.03 57.75 1bwe h ASP 73 Cb 0.60 0.06 -0.15 0.00 1.72 0.00 0.00 39.33 41.56 1bwe h ASP 73 CO 0.12 0.13 0.20 -0.26 -2.88 0.00 0.00 179.24 176.55 1bwe h PHE 74 N 0.51 0.28 -0.39 0.28 -1.00 -1.22 -1.03 116.94 114.37 1bwe h PHE 74 Ca 0.47 0.05 -0.05 0.00 2.81 0.00 0.00 57.97 61.26 1bwe h PHE 74 Cb 0.74 0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.29 1bwe h PHE 74 CO -0.13 -0.29 0.03 1.19 -1.61 0.00 0.00 178.31 177.50 1bwe n PHE 75 N -5.30 1.36 -3.41 -0.55 3.72 0.24 -4.46 117.46 109.06 1bwe n PHE 75 Ca 0.23 -0.97 -0.26 0.00 -0.05 0.00 0.00 57.45 56.40 1bwe n PHE 75 Cb 0.75 -0.42 -0.09 0.00 -0.94 0.00 0.00 39.48 38.78 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 -0.33 1.12 0.00 -1.08 4.01 -0.39 -5.05 118.16 116.44 1bwe n LYS 76 Ca 0.26 -3.71 0.00 0.00 -0.51 0.00 0.00 58.31 54.35 1bwe n LYS 76 Cb 1.03 -1.73 0.00 0.00 -0.51 0.00 0.00 35.03 33.82 1bwe n LYS 76 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46