#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 3.18 0.02 0.00 2.02 -1.26 -3.12 117.35 118.19 1bwe s TYR 2 Ca 0.00 0.01 0.01 0.00 -0.37 0.00 0.00 57.07 56.72 1bwe s TYR 2 Cb 0.00 -1.55 -0.01 0.00 -0.40 0.00 0.00 41.96 40.00 1bwe s TYR 2 CO 0.00 0.52 -0.04 0.08 -1.57 0.00 0.00 175.55 174.54 1bwe s VAL 3 N -1.67 0.26 1.06 0.71 1.01 0.68 -4.51 120.40 117.94 1bwe s VAL 3 Ca 0.31 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 1bwe s VAL 3 Cb -0.11 -0.32 0.23 0.00 0.00 0.00 0.00 36.38 36.18 1bwe s VAL 3 CO 0.23 -0.24 1.08 0.27 0.00 0.00 0.00 175.10 176.45 1bwe s ILE 4 N -0.85 2.05 0.23 2.22 -5.25 -1.26 -1.80 121.20 116.54 1bwe s ILE 4 Ca -0.07 0.02 -0.13 0.00 -0.99 0.00 0.00 60.65 59.47 1bwe s ILE 4 Cb -0.06 -2.06 -0.00 0.00 2.95 0.00 0.00 42.46 43.29 1bwe s ILE 4 CO -0.00 -0.02 0.46 0.42 -1.79 0.00 0.00 174.94 174.01 1bwe s THR 5 N -2.54 0.01 0.00 8.37 -4.23 -1.25 -4.80 115.64 111.19 1bwe s THR 5 Ca 0.68 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1bwe s THR 5 Cb -0.24 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.53 1bwe s THR 5 CO 0.62 -0.05 0.00 1.21 -0.54 0.00 0.00 174.62 175.85 1bwe n GLU 6 N -0.36 0.00 0.32 3.99 4.07 -1.26 -0.63 120.64 126.77 1bwe n GLU 6 Ca -0.03 0.00 0.20 0.00 -0.06 0.00 0.00 57.16 57.27 1bwe n GLU 6 Cb 0.62 0.00 1.07 0.00 -0.06 0.00 0.00 31.44 33.07 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 -0.03 5.31 0.11 -1.98 -0.43 132.00 134.98 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 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1bwe h PRO 7 CO 0.00 0.01 -0.09 0.00 -0.21 0.00 0.00 178.00 177.71 1bwe s ILE 9 N -4.84 3.37 -0.46 0.00 1.09 -0.17 -4.72 121.20 115.46 1bwe s ILE 9 Ca -0.05 -0.27 0.09 0.00 -1.10 0.00 0.00 60.65 59.33 1bwe s ILE 9 Cb 0.16 -3.84 0.34 0.00 -1.06 0.00 0.00 42.46 38.06 1bwe s ILE 9 CO 0.69 -0.79 0.80 0.61 -0.10 0.00 0.00 174.94 176.15 1bwe n GLY 10 N 6.75 4.34 3.69 6.18 0.00 -1.26 -5.03 105.19 119.85 1bwe n GLY 10 Ca 0.40 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 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 0.16 -3.32 -2.84 2.61 5.66 -1.26 -3.40 114.28 111.89 1bwe n THR 11 Ca 0.27 0.01 -0.10 0.00 -3.05 0.00 0.00 64.05 61.19 1bwe n THR 11 Cb 0.55 -2.99 0.05 0.00 -1.55 0.00 0.00 70.33 66.39 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 -1.87 -3.78 -1.71 1.09 5.02 0.28 -5.03 118.16 112.16 1bwe n LYS 12 Ca -0.25 0.47 -0.35 0.00 -2.02 0.00 0.00 58.31 56.16 1bwe n LYS 12 Cb 0.68 -4.37 0.06 0.00 -0.02 0.00 0.00 35.03 31.39 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 -2.21 2.72 0.08 0.00 0.00 -1.26 -4.24 120.51 115.60 1bwe n ALA 14 Ca 0.13 -1.99 -0.19 0.00 0.00 0.00 0.00 53.44 51.39 1bwe n ALA 14 Cb 0.50 -0.86 -0.15 0.00 0.00 0.00 0.00 19.45 18.95 1bwe n ALA 14 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1bwe h SER 15 N 1.91 0.51 0.69 0.00 0.02 -1.95 -3.35 113.55 111.38 1bwe h SER 15 Ca -0.27 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 59.99 1bwe h SER 15 Cb 1.28 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1bwe h SER 15 CO 0.02 1.57 0.00 0.00 -1.14 0.00 0.00 176.83 177.28 1bwe s VAL 17 N -3.25 3.04 0.00 0.00 0.11 -1.26 -4.09 120.40 114.95 1bwe s VAL 17 Ca 0.05 0.52 0.00 0.00 -2.93 0.00 0.00 61.98 59.62 1bwe s VAL 17 Cb 0.09 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.88 1bwe s VAL 17 CO 0.37 -0.26 0.00 1.21 -3.33 0.00 0.00 175.10 173.08 1bwe n GLU 18 N -2.26 0.00 0.15 1.54 2.13 -1.26 -4.54 120.64 116.39 1bwe n GLU 18 Ca 0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 1bwe n GLU 18 Cb 0.51 -0.10 0.19 0.00 0.27 0.00 0.00 31.44 32.32 1bwe n GLU 18 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1bwe h VAL 19 N 0.00 1.33 -2.77 6.31 3.04 -1.87 -3.44 116.25 118.85 1bwe h VAL 19 Ca 0.00 -2.03 -0.53 0.00 -1.01 0.00 0.00 66.70 63.13 1bwe h VAL 19 Cb 0.00 2.12 0.02 0.00 -2.01 0.00 0.00 31.29 31.43 1bwe h VAL 19 CO 0.00 0.56 0.93 0.00 -1.01 0.00 0.00 177.57 178.06 1bwe n PRO 21 N 5.07 -0.04 -0.30 0.00 -0.02 -1.26 -1.18 135.00 137.26 1bwe n PRO 21 Ca 0.15 1.29 0.07 0.00 -2.02 0.00 0.00 63.50 62.98 1bwe n PRO 21 Cb 0.40 -2.46 0.10 0.00 -0.02 0.00 0.00 33.50 31.53 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 -4.89 1.30 -3.75 -1.45 0.24 -1.26 -5.03 118.33 103.49 1bwe n VAL 22 Ca 0.39 -1.66 -0.22 0.00 -2.04 0.00 0.00 64.34 60.81 1bwe n VAL 22 Cb 1.46 0.02 -0.05 0.00 -1.47 0.00 0.00 33.84 33.80 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 -0.92 0.06 -2.24 -1.34 2.03 -0.33 -4.83 116.55 108.99 1bwe n ASP 23 Ca 0.11 -0.85 -0.27 0.00 0.52 0.00 0.00 54.79 54.30 1bwe n ASP 23 Cb 0.68 -1.05 0.04 0.00 -0.72 0.00 0.00 41.12 40.08 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 -3.50 2.87 0.01 0.00 -0.00 -1.26 -1.04 121.20 118.28 1bwe s ILE 25 Ca 0.49 -0.74 0.03 0.00 -0.00 0.00 0.00 60.65 60.43 1bwe s ILE 25 Cb 0.38 -2.17 -0.01 0.00 -0.00 0.00 0.00 42.46 40.66 1bwe s ILE 25 CO -0.08 0.54 -0.09 -1.00 -0.00 0.00 0.00 174.94 174.32 1bwe s HIS 26 N 0.10 0.79 -0.13 1.37 3.76 0.60 -4.83 115.29 116.95 1bwe s HIS 26 Ca -0.07 -0.21 -0.26 0.00 -0.15 0.00 0.00 55.06 54.36 1bwe s HIS 26 Cb -0.15 -0.50 -0.02 0.00 1.11 0.00 0.00 32.58 33.03 1bwe s HIS 26 CO 0.05 -0.01 0.86 -1.21 -0.85 0.00 0.00 174.74 173.57 1bwe s GLU 27 N -0.51 4.35 -0.16 1.40 2.02 -1.26 0.02 118.70 124.57 1bwe s GLU 27 Ca 0.01 1.10 -0.15 0.00 0.02 0.00 0.00 54.97 55.95 1bwe s GLU 27 Cb -0.05 -3.55 -0.12 0.00 0.10 0.00 0.00 34.13 30.52 1bwe s GLU 27 CO 0.00 -0.26 0.13 0.78 0.02 0.00 0.00 175.26 175.93 1bwe h GLY 28 N 7.98 0.00 0.00 -1.39 0.00 -1.96 -3.49 103.07 104.21 1bwe h GLY 28 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1bwe h GLY 28 CO 0.83 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 175.16 1bwe n GLU 29 N -4.58 0.00 0.20 4.80 0.00 -1.26 -5.01 120.64 114.80 1bwe n GLU 29 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.06 1bwe n GLU 29 Cb 0.40 0.00 0.44 0.00 0.00 0.00 0.00 31.44 32.27 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 0.00 -5.08 4.31 2.03 -1.97 -3.42 116.42 112.29 1bwe h ASP 30 Ca 0.00 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.26 1bwe h ASP 30 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 1bwe h ASP 30 CO 0.00 0.29 0.20 0.00 -1.03 0.00 0.00 179.24 178.70 1bwe s GLN 31 N -4.28 2.13 -0.33 4.15 -2.07 -1.26 -0.56 119.66 117.44 1bwe s GLN 31 Ca -0.03 -1.42 -0.15 0.00 -1.82 0.00 0.00 55.36 51.93 1bwe s GLN 31 Cb 0.14 0.60 -0.02 0.00 -1.09 0.00 0.00 33.01 32.64 1bwe s GLN 31 CO 0.70 -0.98 0.37 0.71 -1.32 0.00 0.00 175.29 174.77 1bwe s TYR 32 N -2.64 3.21 -0.27 9.60 1.51 -1.26 -3.51 117.35 123.99 1bwe s TYR 32 Ca 0.17 0.05 -0.16 0.00 -1.01 0.00 0.00 57.07 56.12 1bwe s TYR 32 Cb -0.04 -2.66 -0.03 0.00 -0.11 0.00 0.00 41.96 39.11 1bwe s TYR 32 CO 0.12 -0.40 0.41 0.71 -1.11 0.00 0.00 175.55 175.28 1bwe s TYR 33 N 2.04 3.25 -0.01 2.71 2.02 0.10 -4.72 117.35 122.74 1bwe s TYR 33 Ca 0.12 0.44 -0.29 0.00 -0.37 0.00 0.00 57.07 56.97 1bwe s TYR 33 Cb -0.16 -2.63 -0.03 0.00 -0.40 0.00 0.00 41.96 38.74 1bwe s TYR 33 CO 0.11 -0.26 0.92 0.42 -1.57 0.00 0.00 175.55 175.18 1bwe s ILE 34 N 2.14 4.90 -0.40 2.71 1.01 -1.26 -0.29 121.20 130.00 1bwe s ILE 34 Ca 0.16 1.94 -0.29 0.00 0.00 0.00 0.00 60.65 62.46 1bwe s ILE 34 Cb -0.16 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.06 1bwe s ILE 34 CO 0.10 0.18 1.26 -0.62 0.00 0.00 0.00 174.94 175.86 1bwe s ASP 35 N 0.94 6.56 0.49 3.58 -1.08 -0.20 -4.79 116.67 122.17 1bwe s ASP 35 Ca 0.49 0.80 0.14 0.00 -0.52 0.00 0.00 52.55 53.45 1bwe s ASP 35 Cb -0.20 -2.54 1.17 0.00 -1.46 0.00 0.00 42.92 39.88 1bwe s ASP 35 CO 0.26 -1.25 2.13 1.55 0.52 0.00 0.00 175.17 178.38 1bwe h PRO 36 N 9.66 0.13 0.00 4.34 0.13 -1.81 0.62 132.00 145.07 1bwe h PRO 36 Ca -0.25 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.80 1bwe h PRO 36 Cb 1.08 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1bwe h PRO 36 CO 1.09 0.09 -0.35 -0.44 -0.23 0.00 0.00 178.00 178.16 1bwe h ASP 37 N 0.13 0.00 0.31 1.44 3.32 -1.92 -3.15 116.42 116.56 1bwe h ASP 37 Ca 0.04 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.76 1bwe h ASP 37 Cb -0.02 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 1bwe h ASP 37 CO -0.01 0.35 -1.91 0.52 -1.72 0.00 0.00 179.24 176.47 1bwe n VAL 38 N -3.21 1.61 -1.68 -1.35 0.31 -0.99 -4.92 118.33 108.10 1bwe n VAL 38 Ca 0.02 -0.76 -0.45 0.00 -0.01 0.00 0.00 64.34 63.14 1bwe n VAL 38 Cb 0.65 -1.14 -0.04 0.00 -0.91 0.00 0.00 33.84 32.40 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 4.77 1.41 -2.88 0.00 -5.35 -1.26 -4.63 119.36 111.42 1bwe n ILE 40 Ca 0.20 -0.70 -0.02 0.00 -0.27 0.00 0.00 62.75 61.96 1bwe n ILE 40 Cb 0.34 -0.44 -0.01 0.00 -1.74 0.00 0.00 39.64 37.79 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 0.23 -5.37 -3.81 7.28 -0.08 -1.26 -4.96 116.55 108.57 1bwe n ASP 41 Ca 0.15 1.08 -0.12 0.00 -1.51 0.00 0.00 54.79 54.39 1bwe n ASP 41 Cb 0.75 -3.59 -0.10 0.00 2.34 0.00 0.00 41.12 40.52 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 1.61 4.03 0.18 0.00 0.00 -1.26 -4.46 105.19 105.28 1bwe n GLY 43 Ca -0.21 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 1.63 1.34 -0.22 4.61 0.00 -1.26 -4.60 120.51 122.02 1bwe n ALA 44 Ca 0.50 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.93 1bwe n ALA 44 Cb 0.61 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.16 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 0.07 0.40 -0.25 0.00 4.57 -1.86 0.27 114.58 117.78 1bwe h GLU 46 Ca 0.33 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.45 1bwe h GLU 46 Cb 0.54 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1bwe h GLU 46 CO -0.61 0.27 -0.01 0.00 -1.18 0.00 0.00 179.01 177.48 1bwe h ALA 47 N 1.24 1.51 -0.06 2.92 0.00 -1.19 -2.64 119.26 121.04 1bwe h ALA 47 Ca 0.19 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 1bwe h ALA 47 Cb 0.11 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1bwe h ALA 47 CO -0.14 0.35 -0.90 0.28 0.00 0.00 0.00 179.25 178.84 1bwe h VAL 48 N 0.37 1.32 -2.39 0.00 2.07 -0.07 -3.44 116.25 114.11 1bwe h VAL 48 Ca 0.08 -2.19 -0.57 0.00 0.82 0.00 0.00 66.70 64.83 1bwe h VAL 48 Cb 0.27 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1bwe h VAL 48 CO 0.01 0.68 1.32 0.00 0.02 0.00 0.00 177.57 179.60 1bwe n PRO 50 N 8.27 0.72 0.00 0.00 -0.04 -1.26 -2.06 135.00 140.64 1bwe n PRO 50 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1bwe n PRO 50 Cb 0.45 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 0.18 0.00 -2.68 0.52 0.24 -1.26 -5.09 118.33 110.24 1bwe n VAL 51 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.24 1bwe n VAL 51 Cb 0.20 -0.97 0.01 0.00 -1.47 0.00 0.00 33.84 31.61 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 -1.99 -7.31 0.00 -1.34 2.88 -0.87 -5.03 113.62 99.96 1bwe n SER 52 Ca 0.00 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 1bwe n SER 52 Cb 0.49 -4.90 0.00 0.00 -0.75 0.00 0.00 64.21 59.05 1bwe n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bwe n ALA 53 N -0.15 0.00 -2.55 -1.46 0.00 -1.26 -5.00 120.51 110.09 1bwe n ALA 53 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.12 1bwe n ALA 53 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 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 0.00 3.86 0.33 0.00 1.01 -1.26 -3.96 121.20 121.17 1bwe s ILE 54 Ca 0.00 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.31 1bwe s ILE 54 Cb 0.00 -5.00 -0.04 0.00 0.01 0.00 0.00 42.46 37.43 1bwe s ILE 54 CO 0.00 -1.90 0.19 -0.31 0.00 0.00 0.00 174.94 172.92 1bwe s TYR 55 N 5.28 2.80 0.54 3.97 2.02 -0.74 -4.69 117.35 126.53 1bwe s TYR 55 Ca 0.43 -0.33 -0.21 0.00 -0.37 0.00 0.00 57.07 56.59 1bwe s TYR 55 Cb -0.02 -1.66 -0.05 0.00 -0.40 0.00 0.00 41.96 39.82 1bwe s TYR 55 CO -0.03 0.30 1.31 -1.58 -1.57 0.00 0.00 175.55 173.99 1bwe s HIS 56 N -2.36 2.37 0.28 2.71 2.46 -1.26 -0.23 115.29 119.26 1bwe s HIS 56 Ca 0.38 1.42 0.01 0.00 0.47 0.00 0.00 55.06 57.35 1bwe s HIS 56 Cb -0.04 -3.70 0.59 0.00 -0.13 0.00 0.00 32.58 29.30 1bwe s HIS 56 CO 0.24 -2.62 1.80 0.93 -2.47 0.00 0.00 174.74 172.62 1bwe h GLU 57 N 1.44 0.78 0.00 2.88 5.08 -1.89 0.28 114.58 123.15 1bwe h GLU 57 Ca -0.51 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 57.71 1bwe h GLU 57 Cb 1.29 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1bwe h GLU 57 CO 0.57 0.52 -0.45 0.38 -1.00 0.00 0.00 179.01 179.03 1bwe h ASP 58 N 0.81 0.00 -0.07 1.42 2.03 -1.90 -3.11 116.42 115.60 1bwe h ASP 58 Ca 0.50 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.59 1bwe h ASP 58 Cb 0.64 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.15 1bwe h ASP 58 CO -0.33 0.45 -0.76 -0.26 -1.03 0.00 0.00 179.24 177.32 1bwe h PHE 59 N 0.00 0.97 -2.03 4.15 -1.00 -0.86 -3.44 116.94 114.74 1bwe h PHE 59 Ca -0.00 -0.43 -0.62 0.00 2.81 0.00 0.00 57.97 59.73 1bwe h PHE 59 Cb 0.86 -0.15 0.04 0.00 3.61 0.00 0.00 35.95 40.30 1bwe h PHE 59 CO 0.00 1.24 0.91 0.28 -1.61 0.00 0.00 178.31 179.13 1bwe n VAL 60 N -3.92 0.29 -1.62 -0.55 0.31 -0.38 -4.91 118.33 107.55 1bwe n VAL 60 Ca -0.07 -0.05 -0.40 0.00 -0.01 0.00 0.00 64.34 63.81 1bwe n VAL 60 Cb 0.73 -1.59 0.02 0.00 -0.91 0.00 0.00 33.84 32.10 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 4.98 1.33 -0.33 5.55 -0.02 -1.26 -4.47 135.00 140.79 1bwe n PRO 61 Ca 0.21 0.48 0.11 0.00 -2.02 0.00 0.00 63.50 62.28 1bwe n PRO 61 Cb 0.26 -2.12 0.24 0.00 -0.02 0.00 0.00 33.50 31.86 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 1.37 0.03 -0.83 -0.52 3.07 -1.92 0.45 114.58 116.23 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 1.34 -0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 29.12 1bwe h GLU 62 CO 0.56 0.02 0.26 0.93 -1.40 0.00 0.00 179.01 179.38 1bwe h GLU 63 N 0.03 0.28 -0.01 2.33 3.07 -2.03 -1.53 114.58 116.73 1bwe h GLU 63 Ca 0.54 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1bwe h GLU 63 Cb 1.04 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 1bwe h GLU 63 CO -0.89 0.19 -0.56 0.91 -1.40 0.00 0.00 179.01 177.25 1bwe n TRP 64 N -5.15 0.00 0.30 4.33 8.01 0.12 -3.93 117.44 121.13 1bwe n TRP 64 Ca 0.19 0.00 0.19 0.00 -1.31 0.00 0.00 57.50 56.57 1bwe n TRP 64 Cb 0.59 -0.06 1.00 0.00 -2.01 0.00 0.00 31.31 30.84 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 1.29 0.00 -0.86 -0.99 1.57 0.48 0.18 116.57 118.23 1bwe h LYS 65 Ca 0.00 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.98 1bwe h LYS 65 Cb 0.61 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.80 1bwe h LYS 65 CO 0.00 0.00 0.37 0.77 -0.57 0.00 0.00 179.45 180.02 1bwe h SER 66 N 0.00 0.33 -0.26 0.86 0.02 -1.68 0.14 113.55 112.95 1bwe h SER 66 Ca 0.02 0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 1bwe h SER 66 Cb 0.24 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1bwe h SER 66 CO -0.00 0.04 -0.01 1.88 -1.14 0.00 0.00 176.83 177.60 1bwe h TYR 67 N 0.43 0.61 -0.28 3.45 0.05 -0.93 -0.31 116.97 119.98 1bwe h TYR 67 Ca 0.52 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 59.21 1bwe h TYR 67 Cb 0.93 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.48 1bwe h TYR 67 CO -0.15 0.60 0.08 0.82 -1.05 0.00 0.00 178.16 178.46 1bwe h ILE 68 N 0.56 1.21 -0.45 -2.88 5.03 -0.81 0.26 117.51 120.43 1bwe h ILE 68 Ca 0.12 -0.68 0.05 0.00 -0.12 0.00 0.00 64.86 64.22 1bwe h ILE 68 Cb 0.37 1.12 -0.04 0.00 -3.03 0.00 0.00 36.82 35.23 1bwe h ILE 68 CO 0.01 0.23 0.20 -0.61 -0.68 0.00 0.00 178.15 177.30 1bwe h GLN 69 N 0.30 0.38 -0.34 2.37 5.75 -0.98 0.80 115.11 123.39 1bwe h GLN 69 Ca 0.09 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1bwe h GLN 69 Cb 0.27 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 1bwe h GLN 69 CO -0.00 0.25 0.20 -0.22 -2.65 0.00 0.00 178.83 176.41 1bwe h LYS 70 N 0.40 0.46 -0.91 1.69 1.63 -0.45 0.79 116.57 120.18 1bwe h LYS 70 Ca 0.20 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.94 1bwe h LYS 70 Cb 0.15 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 1bwe h LYS 70 CO -0.17 0.36 0.50 -0.91 -3.45 0.00 0.00 179.45 175.78 1bwe h ASN 71 N 0.43 1.14 0.60 4.20 2.35 -0.24 0.09 115.58 124.15 1bwe h ASN 71 Ca 0.12 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1bwe h ASN 71 Cb 0.03 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1bwe h ASN 71 CO -0.02 0.91 -0.41 -0.09 -1.65 0.00 0.00 177.43 176.17 1bwe h ARG 72 N 1.27 -0.93 -0.32 0.81 2.43 -0.45 -3.32 114.38 113.87 1bwe h ARG 72 Ca 0.32 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.62 1bwe h ARG 72 Cb 0.03 0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 29.72 1bwe h ARG 72 CO -0.05 -0.62 -0.11 0.22 -1.51 0.00 0.00 179.97 177.91 1bwe h ASP 73 N -0.96 -0.38 -0.87 -3.80 3.58 -0.61 -3.13 116.42 110.25 1bwe h ASP 73 Ca -0.08 0.11 0.24 0.00 0.42 0.00 0.00 57.03 57.72 1bwe h ASP 73 Cb 0.78 0.23 -0.16 0.00 1.72 0.00 0.00 39.33 41.90 1bwe h ASP 73 CO 0.05 -0.14 0.03 0.49 -2.88 0.00 0.00 179.24 176.80 1bwe n PHE 74 N -5.29 0.57 0.43 0.28 3.72 -0.00 -1.02 117.46 116.15 1bwe n PHE 74 Ca 0.01 1.05 0.05 0.00 -0.05 0.00 0.00 57.45 58.51 1bwe n PHE 74 Cb 0.21 -1.17 0.01 0.00 -0.94 0.00 0.00 39.48 37.59 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 -5.26 0.00 0.08 1.38 3.72 -1.20 -4.60 117.46 111.59 1bwe n PHE 75 Ca 0.21 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.43 1bwe n PHE 75 Cb 0.69 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 39.08 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 1.38 0.31 0.00 -1.08 6.56 -1.02 -3.53 116.57 119.19 1bwe h LYS 76 Ca 0.00 -0.53 0.00 0.00 -1.06 0.00 0.00 60.65 59.06 1bwe h LYS 76 Cb 0.36 0.20 0.00 0.00 -0.57 0.00 0.00 32.23 32.22 1bwe h LYS 76 CO 0.00 1.21 0.00 0.36 -2.06 0.00 0.00 179.45 178.96