#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 2.76 -0.00 0.00 1.51 -1.26 -2.16 117.35 118.20 1bwe s TYR 2 Ca 0.00 -0.15 0.01 0.00 -1.01 0.00 0.00 57.07 55.92 1bwe s TYR 2 Cb 0.00 -1.43 -0.00 0.00 -0.11 0.00 0.00 41.96 40.41 1bwe s TYR 2 CO 0.00 0.44 -0.02 0.08 -1.11 0.00 0.00 175.55 174.93 1bwe s VAL 3 N -1.25 0.18 0.44 0.71 1.01 0.73 -4.64 120.40 117.59 1bwe s VAL 3 Ca 0.22 -0.10 -0.24 0.00 0.00 0.00 0.00 61.98 61.86 1bwe s VAL 3 Cb -0.11 -0.16 -0.08 0.00 0.00 0.00 0.00 36.38 36.03 1bwe s VAL 3 CO 0.14 0.05 1.24 -0.63 0.00 0.00 0.00 175.10 175.91 1bwe s ILE 4 N -0.06 2.78 0.24 2.22 1.09 -1.26 -1.84 121.20 124.38 1bwe s ILE 4 Ca 0.01 0.64 0.02 0.00 -1.10 0.00 0.00 60.65 60.22 1bwe s ILE 4 Cb -0.01 -3.35 -0.05 0.00 -1.06 0.00 0.00 42.46 37.99 1bwe s ILE 4 CO -0.00 0.04 0.06 0.42 -0.10 0.00 0.00 174.94 175.37 1bwe s THR 5 N -1.38 0.68 0.00 2.92 -4.23 -1.22 -4.83 115.64 107.58 1bwe s THR 5 Ca 0.61 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1bwe s THR 5 Cb -0.34 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 70.98 1bwe s THR 5 CO 0.42 -0.13 0.00 1.21 -0.54 0.00 0.00 174.62 175.59 1bwe n GLU 6 N -0.43 0.00 0.32 3.99 2.13 -1.26 -0.89 120.64 124.50 1bwe n GLU 6 Ca -0.02 0.00 0.21 0.00 0.66 0.00 0.00 57.16 58.01 1bwe n GLU 6 Cb 0.65 0.00 1.11 0.00 0.27 0.00 0.00 31.44 33.48 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 -0.24 5.31 0.11 -1.97 -0.58 132.00 134.63 1bwe h PRO 7 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 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 0.07 0.00 -0.21 0.00 0.00 178.00 177.86 1bwe s ILE 9 N -5.12 3.26 -0.36 0.00 1.09 -0.23 -4.53 121.20 115.32 1bwe s ILE 9 Ca -0.07 -0.30 0.14 0.00 -1.10 0.00 0.00 60.65 59.33 1bwe s ILE 9 Cb 0.17 -3.78 0.41 0.00 -1.06 0.00 0.00 42.46 38.19 1bwe s ILE 9 CO 0.72 -0.52 0.98 0.61 -0.10 0.00 0.00 174.94 176.63 1bwe n GLY 10 N 6.57 1.90 7.00 6.18 0.00 -1.26 -5.10 105.19 120.47 1bwe n GLY 10 Ca 0.43 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1bwe n GLY 10 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1bwe n THR 11 N -0.04 0.00 -1.21 2.61 5.66 -1.23 -4.24 114.28 115.83 1bwe n THR 11 Ca 0.10 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.72 1bwe n THR 11 Cb 0.78 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.53 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 2.14 0.06 1.09 5.02 -1.26 -4.32 118.16 120.89 1bwe n LYS 12 Ca 0.00 -1.97 -0.14 0.00 -2.02 0.00 0.00 58.31 54.18 1bwe n LYS 12 Cb 0.00 -2.89 -0.07 0.00 -0.02 0.00 0.00 35.03 32.05 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 -2.89 -1.55 -0.11 0.00 0.00 -1.26 -4.89 120.51 109.81 1bwe n ALA 14 Ca -0.06 -0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.08 1bwe n ALA 14 Cb 0.37 -2.78 -0.12 0.00 0.00 0.00 0.00 19.45 16.93 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 -2.79 1.99 -3.57 0.00 7.64 -1.26 -4.55 113.62 111.07 1bwe n SER 15 Ca -0.08 0.01 -0.40 0.00 1.01 0.00 0.00 58.87 59.41 1bwe n SER 15 Cb 0.57 -0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 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 4.02 0.12 -1.73 0.00 -7.23 -1.26 -4.85 120.40 109.47 1bwe s VAL 17 Ca 0.53 -1.69 -0.22 0.00 -1.81 0.00 0.00 61.98 58.79 1bwe s VAL 17 Cb 0.14 -1.81 0.21 0.00 0.56 0.00 0.00 36.38 35.48 1bwe s VAL 17 CO 0.02 -0.56 0.58 -0.62 -0.31 0.00 0.00 175.10 174.21 1bwe n GLU 18 N -0.07 -1.19 0.00 4.82 -0.58 -1.26 -4.67 120.64 117.69 1bwe n GLU 18 Ca -0.09 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1bwe n GLU 18 Cb 0.63 -4.76 0.00 0.00 -0.57 0.00 0.00 31.44 26.74 1bwe n GLU 18 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1bwe n VAL 19 N -3.99 0.00 -1.97 2.62 3.14 -1.26 -5.08 118.33 111.79 1bwe n VAL 19 Ca 0.11 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 61.06 1bwe n VAL 19 Cb 0.46 -0.06 -0.03 0.00 -1.06 0.00 0.00 33.84 33.15 1bwe n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1bwe h PRO 21 N 8.28 0.04 0.00 0.00 0.11 -1.98 -2.45 132.00 136.00 1bwe h PRO 21 Ca -0.42 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.63 1bwe h PRO 21 Cb 1.20 -0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 1bwe h PRO 21 CO 0.93 0.02 -0.61 1.33 -0.21 0.00 0.00 178.00 179.46 1bwe n VAL 22 N -5.33 1.23 -3.63 3.15 0.24 -1.26 -5.12 118.33 107.61 1bwe n VAL 22 Ca 0.31 -2.07 0.06 0.00 -2.04 0.00 0.00 64.34 60.60 1bwe n VAL 22 Cb 1.03 0.24 -0.02 0.00 -1.47 0.00 0.00 33.84 33.63 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 -0.52 -6.56 0.00 -1.34 -0.08 -0.92 -5.00 116.55 102.12 1bwe n ASP 23 Ca 0.13 0.50 0.00 0.00 -1.51 0.00 0.00 54.79 53.91 1bwe n ASP 23 Cb 0.84 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 42.88 1bwe n ASP 23 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bwe s ILE 25 N -1.57 4.85 0.30 0.00 -5.25 -1.26 -1.38 121.20 116.88 1bwe s ILE 25 Ca 0.00 0.81 0.03 0.00 -0.99 0.00 0.00 60.65 60.50 1bwe s ILE 25 Cb 0.00 -4.10 -0.04 0.00 2.95 0.00 0.00 42.46 41.26 1bwe s ILE 25 CO 0.00 -0.30 0.13 -1.00 -1.79 0.00 0.00 174.94 171.98 1bwe s HIS 26 N 2.82 1.61 0.51 1.37 3.76 0.55 -4.95 115.29 120.96 1bwe s HIS 26 Ca 0.27 -1.28 0.04 0.00 -0.15 0.00 0.00 55.06 53.94 1bwe s HIS 26 Cb -0.14 -0.91 0.01 0.00 1.11 0.00 0.00 32.58 32.64 1bwe s HIS 26 CO 0.14 -0.42 0.20 -1.21 -0.85 0.00 0.00 174.74 172.61 1bwe s GLU 27 N -3.89 2.22 0.00 1.40 2.02 -1.26 0.32 118.70 119.52 1bwe s GLU 27 Ca 0.35 -2.17 0.00 0.00 0.02 0.00 0.00 54.97 53.18 1bwe s GLU 27 Cb 0.06 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.45 1bwe s GLU 27 CO 0.16 -0.45 0.00 0.41 0.02 0.00 0.00 175.26 175.40 1bwe n GLY 28 N -1.49 0.18 0.00 -1.39 0.00 -1.26 -4.83 105.19 96.40 1bwe n GLY 28 Ca -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.33 0.00 -2.94 1.61 4.71 -1.26 -5.05 120.64 116.38 1bwe n GLU 29 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.02 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 -0.39 -2.18 1.62 2.03 -1.26 -5.08 116.55 111.28 1bwe n ASP 30 Ca 0.00 -3.18 -0.02 0.00 0.52 0.00 0.00 54.79 52.11 1bwe n ASP 30 Cb 0.00 0.38 0.01 0.00 -0.72 0.00 0.00 41.12 40.80 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 0.21 0.38 -4.25 -0.67 -0.00 -1.26 -3.47 117.38 108.31 1bwe n GLN 31 Ca 0.15 -0.83 -0.23 0.00 -0.00 0.00 0.00 57.00 56.08 1bwe n GLN 31 Cb 0.70 1.11 -0.07 0.00 -0.00 0.00 0.00 30.24 31.99 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 -4.13 2.78 -0.06 2.61 1.51 -1.26 -4.31 117.35 114.50 1bwe s TYR 32 Ca 0.12 -0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.01 1bwe s TYR 32 Cb -0.02 -1.26 0.01 0.00 -0.11 0.00 0.00 41.96 40.59 1bwe s TYR 32 CO 0.03 0.59 -0.12 0.71 -1.11 0.00 0.00 175.55 175.65 1bwe s TYR 33 N -2.19 1.39 -0.20 2.71 2.02 0.15 -4.79 117.35 116.44 1bwe s TYR 33 Ca 0.31 -0.49 -0.06 0.00 -0.37 0.00 0.00 57.07 56.46 1bwe s TYR 33 Cb -0.07 -1.02 -0.03 0.00 -0.40 0.00 0.00 41.96 40.44 1bwe s TYR 33 CO 0.20 -0.25 0.04 0.42 -1.57 0.00 0.00 175.55 174.39 1bwe s ILE 34 N 0.59 4.37 -0.19 2.71 1.01 -1.26 -0.33 121.20 128.10 1bwe s ILE 34 Ca -0.13 -0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 1bwe s ILE 34 Cb -0.15 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 1bwe s ILE 34 CO 0.03 0.43 1.76 -0.62 0.00 0.00 0.00 174.94 176.54 1bwe s ASP 35 N 0.81 6.23 0.35 3.58 -1.08 -0.48 -4.77 116.67 121.31 1bwe s ASP 35 Ca 0.02 1.78 0.15 0.00 -0.52 0.00 0.00 52.55 53.98 1bwe s ASP 35 Cb -0.14 -2.53 0.64 0.00 -1.46 0.00 0.00 42.92 39.43 1bwe s ASP 35 CO 0.02 -1.36 1.74 1.55 0.52 0.00 0.00 175.17 177.65 1bwe h PRO 36 N 11.46 0.00 0.00 4.34 0.13 -1.82 -0.08 132.00 146.03 1bwe h PRO 36 Ca -0.37 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.57 1bwe h PRO 36 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1bwe h PRO 36 CO 0.99 0.44 -0.97 -0.44 -0.23 0.00 0.00 178.00 177.79 1bwe h ASP 37 N 0.00 0.00 0.32 1.44 3.32 -1.91 -3.19 116.42 116.40 1bwe h ASP 37 Ca -0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.74 1bwe h ASP 37 Cb 0.85 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.43 1bwe h ASP 37 CO 0.06 0.88 -1.32 0.58 -1.72 0.00 0.00 179.24 177.71 1bwe h VAL 38 N 0.00 1.34 -2.14 -1.35 2.07 -1.91 -3.46 116.25 110.80 1bwe h VAL 38 Ca -0.04 -2.70 -0.60 0.00 0.82 0.00 0.00 66.70 64.18 1bwe h VAL 38 Cb 1.70 2.88 0.04 0.00 -1.52 0.00 0.00 31.29 34.39 1bwe h VAL 38 CO 0.11 0.81 0.95 0.00 0.02 0.00 0.00 177.57 179.45 1bwe n ILE 40 N 4.29 3.12 -4.06 0.00 -5.35 -1.26 -4.73 119.36 111.37 1bwe n ILE 40 Ca 0.20 -2.15 -0.44 0.00 -0.27 0.00 0.00 62.75 60.09 1bwe n ILE 40 Cb 0.29 -1.09 0.02 0.00 -1.74 0.00 0.00 39.64 37.11 1bwe n ILE 40 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1bwe n ASP 41 N -0.44 -3.82 -0.01 7.28 -0.08 -1.26 -4.90 116.55 113.32 1bwe n ASP 41 Ca 0.47 -1.22 0.09 0.00 -1.51 0.00 0.00 54.79 52.63 1bwe n ASP 41 Cb 0.80 -1.47 -0.16 0.00 2.34 0.00 0.00 41.12 42.63 1bwe n ASP 41 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bwe n GLY 43 N 1.30 0.43 5.02 0.00 0.00 -1.26 -4.96 105.19 105.73 1bwe n GLY 43 Ca -0.06 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 9.61 0.00 -0.23 4.61 0.00 -1.26 -4.25 120.51 128.99 1bwe n ALA 44 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1bwe n ALA 44 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 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 0.16 0.82 -0.21 0.00 4.57 -1.84 0.87 114.58 118.95 1bwe h GLU 46 Ca 0.37 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 58.38 1bwe h GLU 46 Cb 0.62 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1bwe h GLU 46 CO -0.55 0.54 -0.38 0.00 -1.18 0.00 0.00 179.01 177.44 1bwe h ALA 47 N 1.39 0.96 -0.53 2.92 0.00 -1.10 -2.94 119.26 119.97 1bwe h ALA 47 Ca 0.35 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1bwe h ALA 47 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1bwe h ALA 47 CO -0.19 0.62 -0.05 0.28 0.00 0.00 0.00 179.25 179.91 1bwe h VAL 48 N 0.39 1.27 -2.02 0.00 2.07 0.16 -3.42 116.25 114.69 1bwe h VAL 48 Ca 0.04 -1.18 -0.58 0.00 0.82 0.00 0.00 66.70 65.79 1bwe h VAL 48 Cb 0.84 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1bwe h VAL 48 CO 0.07 0.42 1.44 0.00 0.02 0.00 0.00 177.57 179.52 1bwe n PRO 50 N 8.48 0.63 -0.01 0.00 -0.04 -1.26 -0.89 135.00 141.91 1bwe n PRO 50 Ca 0.28 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1bwe n PRO 50 Cb 0.43 -1.05 -0.02 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.39 0.13 -3.13 0.52 0.24 -1.26 -5.08 118.33 109.37 1bwe n VAL 51 Ca 0.00 -0.11 -0.13 0.00 -2.04 0.00 0.00 64.34 62.06 1bwe n VAL 51 Cb 0.03 -0.45 0.01 0.00 -1.47 0.00 0.00 33.84 31.95 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 -1.93 -7.15 0.00 -1.34 7.64 -0.07 -5.00 113.62 105.77 1bwe n SER 52 Ca -0.03 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1bwe n SER 52 Cb 0.42 -4.31 0.00 0.00 -1.01 0.00 0.00 64.21 59.30 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 -0.92 1.53 -2.98 -0.43 0.00 -1.26 -4.91 120.51 111.54 1bwe n ALA 53 Ca 0.00 -0.62 -0.44 0.00 0.00 0.00 0.00 53.44 52.39 1bwe n ALA 53 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.38 5.10 0.37 0.00 1.01 -1.26 -3.41 121.20 122.63 1bwe s ILE 54 Ca 0.00 -2.69 0.02 0.00 0.00 0.00 0.00 60.65 57.98 1bwe s ILE 54 Cb 0.00 -4.89 -0.02 0.00 0.01 0.00 0.00 42.46 37.56 1bwe s ILE 54 CO 0.00 -1.59 0.55 -0.31 0.00 0.00 0.00 174.94 173.59 1bwe s TYR 55 N 1.37 3.30 0.62 3.97 2.02 -0.77 -4.51 117.35 123.35 1bwe s TYR 55 Ca 0.42 0.13 -0.19 0.00 -0.37 0.00 0.00 57.07 57.05 1bwe s TYR 55 Cb -0.03 -2.03 -0.02 0.00 -0.40 0.00 0.00 41.96 39.48 1bwe s TYR 55 CO -0.01 -0.04 1.27 1.58 -1.57 0.00 0.00 175.55 176.78 1bwe n HIS 56 N -1.81 1.89 -0.30 2.71 -0.00 -1.26 -0.19 115.22 116.25 1bwe n HIS 56 Ca -0.02 0.42 0.10 0.00 0.46 0.00 0.00 57.72 58.68 1bwe n HIS 56 Cb 0.57 -2.27 0.27 0.00 -0.12 0.00 0.00 29.99 28.43 1bwe n HIS 56 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1bwe h GLU 57 N 0.72 0.52 0.00 1.57 5.08 -1.77 0.32 114.58 121.02 1bwe h GLU 57 Ca -0.51 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 57.79 1bwe h GLU 57 Cb 1.34 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1bwe h GLU 57 CO 0.54 0.35 -0.24 0.22 -1.00 0.00 0.00 179.01 178.88 1bwe h ASP 58 N 0.54 0.00 0.29 1.42 3.58 -1.89 -3.14 116.42 117.22 1bwe h ASP 58 Ca 0.51 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.82 1bwe h ASP 58 Cb 0.84 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 1bwe h ASP 58 CO -0.43 0.16 -0.57 -0.26 -2.88 0.00 0.00 179.24 175.25 1bwe h PHE 59 N 0.00 0.37 -2.43 0.28 -1.00 -0.79 -3.42 116.94 109.95 1bwe h PHE 59 Ca -0.01 -0.13 -0.55 0.00 2.81 0.00 0.00 57.97 60.09 1bwe h PHE 59 Cb 1.13 -0.07 0.05 0.00 3.61 0.00 0.00 35.95 40.66 1bwe h PHE 59 CO 0.00 0.79 1.02 0.28 -1.61 0.00 0.00 178.31 178.80 1bwe n VAL 60 N -3.90 0.23 -1.39 -0.55 0.31 -0.16 -4.93 118.33 107.94 1bwe n VAL 60 Ca -0.02 -0.04 -0.35 0.00 -0.01 0.00 0.00 64.34 63.91 1bwe n VAL 60 Cb 0.60 -1.95 0.10 0.00 -0.91 0.00 0.00 33.84 31.68 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 4.92 0.61 -0.29 5.55 -0.02 -1.26 -4.61 135.00 139.90 1bwe n PRO 61 Ca 0.18 0.27 0.11 0.00 -2.02 0.00 0.00 63.50 62.05 1bwe n PRO 61 Cb 0.34 -2.47 0.26 0.00 -0.02 0.00 0.00 33.50 31.62 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 -0.24 0.18 -0.73 -0.52 3.07 -1.93 0.38 114.58 114.79 1bwe h GLU 62 Ca -0.48 -0.01 0.16 0.00 -0.50 0.00 0.00 59.36 58.53 1bwe h GLU 62 Cb 1.32 -0.04 -0.11 0.00 -0.84 0.00 0.00 28.75 29.08 1bwe h GLU 62 CO 0.49 0.12 0.14 0.93 -1.40 0.00 0.00 179.01 179.29 1bwe h GLU 63 N 0.19 0.22 -0.02 2.33 3.07 -2.03 -2.23 114.58 116.10 1bwe h GLU 63 Ca 0.53 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 1bwe h GLU 63 Cb 1.04 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1bwe h GLU 63 CO -0.66 0.15 -0.10 0.91 -1.40 0.00 0.00 179.01 177.91 1bwe n TRP 64 N -5.20 0.00 0.06 4.33 8.01 1.00 -3.96 117.44 121.68 1bwe n TRP 64 Ca 0.14 0.00 0.20 0.00 -1.31 0.00 0.00 57.50 56.53 1bwe n TRP 64 Cb 0.46 -0.01 0.73 0.00 -2.01 0.00 0.00 31.31 30.48 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 3.54 0.00 -0.80 -0.99 6.56 0.01 0.24 116.57 125.13 1bwe h LYS 65 Ca 0.00 0.00 0.19 0.00 -1.06 0.00 0.00 60.65 59.78 1bwe h LYS 65 Cb 0.81 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.33 1bwe h LYS 65 CO 0.00 0.00 0.05 0.66 -2.06 0.00 0.00 179.45 178.10 1bwe h SER 66 N 0.00 -0.28 -0.20 0.86 4.64 -1.71 0.13 113.55 116.99 1bwe h SER 66 Ca 0.21 0.20 -0.05 0.00 -0.47 0.00 0.00 61.79 61.68 1bwe h SER 66 Cb 0.96 0.34 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 1bwe h SER 66 CO -0.00 -0.18 -0.03 1.88 -0.87 0.00 0.00 176.83 177.63 1bwe h TYR 67 N 0.12 0.53 -0.20 4.77 0.05 -0.82 0.01 116.97 121.44 1bwe h TYR 67 Ca 0.45 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 59.16 1bwe h TYR 67 Cb 0.83 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.41 1bwe h TYR 67 CO -0.40 0.54 0.08 0.82 -1.05 0.00 0.00 178.16 178.15 1bwe h ILE 68 N 0.48 1.17 -0.65 -2.88 5.03 -0.80 0.25 117.51 120.12 1bwe h ILE 68 Ca 0.10 -0.50 0.04 0.00 -0.12 0.00 0.00 64.86 64.38 1bwe h ILE 68 Cb 0.36 1.14 -0.05 0.00 -3.03 0.00 0.00 36.82 35.24 1bwe h ILE 68 CO 0.01 0.16 0.38 -0.61 -0.68 0.00 0.00 178.15 177.41 1bwe h GLN 69 N 0.16 0.69 0.11 2.37 5.75 -0.91 -0.00 115.11 123.29 1bwe h GLN 69 Ca 0.06 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1bwe h GLN 69 Cb 0.18 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.58 1bwe h GLN 69 CO -0.00 0.46 -0.06 -0.22 -2.65 0.00 0.00 178.83 176.36 1bwe h LYS 70 N 0.72 -0.15 -0.94 1.69 3.64 -0.49 0.85 116.57 121.88 1bwe h LYS 70 Ca 0.28 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.75 1bwe h LYS 70 Cb 0.11 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 1bwe h LYS 70 CO -0.15 -0.07 0.61 -0.91 -2.27 0.00 0.00 179.45 176.66 1bwe h ASN 71 N -0.18 0.90 0.74 4.20 2.35 -0.23 0.92 115.58 124.28 1bwe h ASN 71 Ca -0.02 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1bwe h ASN 71 Cb 0.14 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.35 1bwe h ASN 71 CO 0.03 0.54 -0.36 -0.09 -1.65 0.00 0.00 177.43 175.90 1bwe h ARG 72 N 1.00 -0.96 -0.27 0.81 2.43 -0.70 -3.37 114.38 113.32 1bwe h ARG 72 Ca 0.43 0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.66 1bwe h ARG 72 Cb 0.32 0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1bwe h ARG 72 CO -0.18 -0.62 0.16 0.22 -1.51 0.00 0.00 179.97 178.04 1bwe h ASP 73 N -1.16 0.33 -0.83 -3.80 1.82 -0.29 -3.28 116.42 109.21 1bwe h ASP 73 Ca -0.10 -0.05 0.23 0.00 -0.39 0.00 0.00 57.03 56.72 1bwe h ASP 73 Cb 0.78 -0.08 -0.16 0.00 0.68 0.00 0.00 39.33 40.56 1bwe h ASP 73 CO 0.17 0.28 0.03 0.49 -1.61 0.00 0.00 179.24 178.60 1bwe n PHE 74 N -4.87 0.55 0.34 0.28 3.01 0.27 0.15 117.46 117.19 1bwe n PHE 74 Ca -0.02 1.00 0.07 0.00 1.01 0.00 0.00 57.45 59.52 1bwe n PHE 74 Cb 0.05 -1.14 0.11 0.00 -0.01 0.00 0.00 39.48 38.49 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 -5.18 0.20 0.01 1.38 3.72 -1.24 -4.62 117.46 111.73 1bwe n PHE 75 Ca 0.20 -0.16 -0.03 0.00 -0.05 0.00 0.00 57.45 57.41 1bwe n PHE 75 Cb 0.66 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.18 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 0.83 0.16 -0.90 -1.08 4.01 0.32 -5.17 118.16 116.33 1bwe n LYS 76 Ca 0.11 0.06 0.00 0.00 -0.51 0.00 0.00 58.31 57.97 1bwe n LYS 76 Cb 0.40 -0.77 0.00 0.00 -0.51 0.00 0.00 35.03 34.15 1bwe n LYS 76 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46