#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 3.34 -0.00 0.00 1.51 -1.26 -0.91 117.35 120.02 1bwe s TYR 2 Ca 0.00 0.28 0.00 0.00 -1.01 0.00 0.00 57.07 56.35 1bwe s TYR 2 Cb 0.00 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.06 1bwe s TYR 2 CO 0.00 0.58 -0.00 0.08 -1.11 0.00 0.00 175.55 175.10 1bwe s VAL 3 N -1.10 0.06 0.56 0.71 1.01 0.48 -4.42 120.40 117.70 1bwe s VAL 3 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.99 1bwe s VAL 3 Cb -0.12 -0.08 -0.05 0.00 0.00 0.00 0.00 36.38 36.13 1bwe s VAL 3 CO 0.09 0.03 1.12 0.27 0.00 0.00 0.00 175.10 176.61 1bwe s ILE 4 N 0.18 3.25 0.07 2.22 -5.25 -1.26 -1.27 121.20 119.14 1bwe s ILE 4 Ca -0.01 0.74 -0.00 0.00 -0.99 0.00 0.00 60.65 60.38 1bwe s ILE 4 Cb -0.03 -3.27 -0.04 0.00 2.95 0.00 0.00 42.46 42.07 1bwe s ILE 4 CO -0.01 -0.21 -0.04 0.42 -1.79 0.00 0.00 174.94 173.32 1bwe s THR 5 N -1.91 0.35 0.00 8.37 -4.23 -0.99 -4.83 115.64 112.40 1bwe s THR 5 Ca 0.71 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1bwe s THR 5 Cb -0.22 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.03 1bwe s THR 5 CO 0.29 -0.95 0.00 1.21 -0.54 0.00 0.00 174.62 174.63 1bwe n GLU 6 N 0.06 0.00 0.15 3.99 2.13 -1.26 -0.60 120.64 125.11 1bwe n GLU 6 Ca -0.13 0.00 0.19 0.00 0.66 0.00 0.00 57.16 57.88 1bwe n GLU 6 Cb 0.61 0.00 0.79 0.00 0.27 0.00 0.00 31.44 33.11 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 -0.73 5.31 0.11 -1.98 0.12 132.00 134.83 1bwe h PRO 7 Ca 0.00 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.20 1bwe h PRO 7 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.06 1bwe h PRO 7 CO 0.00 0.00 0.48 0.00 -0.21 0.00 0.00 178.00 178.27 1bwe s ILE 9 N -5.61 3.48 -0.33 0.00 1.09 0.03 -4.58 121.20 115.28 1bwe s ILE 9 Ca -0.09 -0.41 0.16 0.00 -1.10 0.00 0.00 60.65 59.21 1bwe s ILE 9 Cb 0.20 -4.08 0.45 0.00 -1.06 0.00 0.00 42.46 37.97 1bwe s ILE 9 CO 0.77 -1.00 1.12 0.61 -0.10 0.00 0.00 174.94 176.34 1bwe n GLY 10 N 6.82 1.56 1.94 6.18 0.00 -1.26 -5.11 105.19 115.32 1bwe n GLY 10 Ca 0.40 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.41 -8.16 0.00 2.61 5.66 -1.26 -4.52 114.28 108.21 1bwe n THR 11 Ca 0.04 2.05 0.00 0.00 -3.05 0.00 0.00 64.05 63.08 1bwe n THR 11 Cb 0.83 -3.66 0.00 0.00 -1.55 0.00 0.00 70.33 65.95 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 1.81 0.00 0.00 1.09 4.01 0.96 -4.86 118.16 121.18 1bwe n LYS 12 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1bwe n LYS 12 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1bwe n LYS 12 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bwe n ALA 14 N 0.00 -1.86 -0.03 0.00 0.00 -1.26 -4.95 120.51 112.41 1bwe n ALA 14 Ca 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 1bwe n ALA 14 Cb 0.00 -3.02 -0.03 0.00 0.00 0.00 0.00 19.45 16.40 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 -3.09 1.27 -4.15 0.00 7.64 -1.26 -4.78 113.62 109.26 1bwe n SER 15 Ca -0.22 0.20 -0.38 0.00 1.01 0.00 0.00 58.87 59.48 1bwe n SER 15 Cb 0.65 -0.47 -0.04 0.00 -1.01 0.00 0.00 64.21 63.34 1bwe n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwe n VAL 17 N 6.62 0.00 0.47 0.00 0.24 -1.26 -4.88 118.33 119.52 1bwe n VAL 17 Ca 0.48 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.78 1bwe n VAL 17 Cb 0.43 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 1bwe n VAL 17 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1bwe n GLU 18 N 0.00 0.39 0.16 7.34 0.00 -1.26 -2.53 120.64 124.74 1bwe n GLU 18 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.18 1bwe n GLU 18 Cb 0.00 -1.15 0.25 0.00 0.00 0.00 0.00 31.44 30.54 1bwe n GLU 18 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 1bwe h VAL 19 N 0.00 1.23 -2.69 3.84 3.04 -1.93 -3.45 116.25 116.29 1bwe h VAL 19 Ca 0.00 -1.80 -0.53 0.00 -1.01 0.00 0.00 66.70 63.36 1bwe h VAL 19 Cb 0.15 2.01 0.04 0.00 -2.01 0.00 0.00 31.29 31.48 1bwe h VAL 19 CO 0.00 0.49 0.99 0.00 -1.01 0.00 0.00 177.57 178.04 1bwe h PRO 21 N 7.50 0.39 0.00 0.00 0.10 -1.94 -3.09 132.00 134.95 1bwe h PRO 21 Ca -0.43 -0.02 -0.07 0.00 0.10 0.00 0.00 66.00 65.58 1bwe h PRO 21 Cb 1.21 -0.09 -0.14 0.00 0.10 0.00 0.00 31.00 32.07 1bwe h PRO 21 CO 0.94 0.26 -0.65 1.55 0.10 0.00 0.00 178.00 180.19 1bwe n VAL 22 N -4.48 0.35 -2.59 3.15 3.14 -1.26 -5.14 118.33 111.50 1bwe n VAL 22 Ca 0.16 -0.83 0.11 0.00 -2.96 0.00 0.00 64.34 60.81 1bwe n VAL 22 Cb 0.59 0.56 -0.03 0.00 -1.06 0.00 0.00 33.84 33.90 1bwe n VAL 22 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1bwe n ASP 23 N -0.04 -6.58 0.00 6.55 -0.08 -1.17 -5.01 116.55 110.22 1bwe n ASP 23 Ca 0.05 0.85 0.00 0.00 -1.51 0.00 0.00 54.79 54.18 1bwe n ASP 23 Cb 0.86 -2.38 0.00 0.00 2.34 0.00 0.00 41.12 41.94 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 -1.78 4.81 0.01 0.00 -0.00 -1.26 -0.92 121.20 122.06 1bwe s ILE 25 Ca 0.00 0.24 0.05 0.00 -0.00 0.00 0.00 60.65 60.93 1bwe s ILE 25 Cb 0.00 -4.20 -0.01 0.00 -0.00 0.00 0.00 42.46 38.25 1bwe s ILE 25 CO 0.00 -0.57 -0.14 -1.00 -0.00 0.00 0.00 174.94 173.23 1bwe s HIS 26 N 2.86 1.26 -0.28 1.37 3.76 0.49 -4.88 115.29 119.88 1bwe s HIS 26 Ca 0.24 -0.27 -0.29 0.00 -0.15 0.00 0.00 55.06 54.59 1bwe s HIS 26 Cb -0.14 -0.79 -0.01 0.00 1.11 0.00 0.00 32.58 32.75 1bwe s HIS 26 CO 0.19 -0.00 1.52 -1.21 -0.85 0.00 0.00 174.74 174.38 1bwe s GLU 27 N -0.59 3.75 -1.50 1.40 2.02 -1.26 0.45 118.70 122.97 1bwe s GLU 27 Ca 0.04 1.42 -0.12 0.00 0.02 0.00 0.00 54.97 56.33 1bwe s GLU 27 Cb -0.06 -4.01 -0.04 0.00 0.10 0.00 0.00 34.13 30.13 1bwe s GLU 27 CO 0.00 -1.34 2.59 0.41 0.02 0.00 0.00 175.26 176.93 1bwe n GLY 28 N 4.71 4.22 5.00 -1.39 0.00 0.16 -4.70 105.19 113.19 1bwe n GLY 28 Ca 0.18 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 4.79 0.00 -0.09 1.61 4.71 -1.26 -4.07 120.64 126.33 1bwe n GLU 29 Ca 0.65 0.00 -0.14 0.00 -0.01 0.00 0.00 57.16 57.67 1bwe n GLU 29 Cb 0.30 0.00 -0.07 0.00 -1.01 0.00 0.00 31.44 30.66 1bwe n GLU 29 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1bwe h ASP 30 N 0.00 0.00 -5.43 1.62 3.58 -1.97 -3.47 116.42 110.75 1bwe h ASP 30 Ca 0.00 -0.33 -0.18 0.00 0.42 0.00 0.00 57.03 56.94 1bwe h ASP 30 Cb 0.00 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 40.91 1bwe h ASP 30 CO 0.00 1.12 -0.56 0.00 -2.88 0.00 0.00 179.24 176.92 1bwe s GLN 31 N -2.25 1.05 0.21 0.28 1.03 -1.26 -0.03 119.66 118.70 1bwe s GLN 31 Ca -0.21 -1.43 -0.30 0.00 0.04 0.00 0.00 55.36 53.46 1bwe s GLN 31 Cb 0.03 0.28 -0.10 0.00 0.03 0.00 0.00 33.01 33.26 1bwe s GLN 31 CO 0.42 -0.33 1.45 0.71 -2.54 0.00 0.00 175.29 175.01 1bwe s TYR 32 N -4.06 3.07 -0.08 9.60 1.51 -1.26 -0.67 117.35 125.46 1bwe s TYR 32 Ca 0.26 0.95 0.04 0.00 -1.01 0.00 0.00 57.07 57.31 1bwe s TYR 32 Cb 0.06 -3.81 0.00 0.00 -0.11 0.00 0.00 41.96 38.10 1bwe s TYR 32 CO 0.04 -2.74 -0.21 0.71 -1.11 0.00 0.00 175.55 172.24 1bwe s TYR 33 N 0.36 2.24 -0.21 2.71 1.51 0.17 -4.84 117.35 119.30 1bwe s TYR 33 Ca 0.62 -0.85 -0.11 0.00 -1.01 0.00 0.00 57.07 55.72 1bwe s TYR 33 Cb -0.41 -1.52 -0.05 0.00 -0.11 0.00 0.00 41.96 39.87 1bwe s TYR 33 CO 0.39 -0.34 0.16 0.42 -1.11 0.00 0.00 175.55 175.07 1bwe s ILE 34 N 0.31 5.38 -0.36 2.71 1.01 -1.26 -0.38 121.20 128.61 1bwe s ILE 34 Ca -0.15 0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.45 1bwe s ILE 34 Cb -0.16 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.81 1bwe s ILE 34 CO 0.07 0.40 1.41 -0.62 0.00 0.00 0.00 174.94 176.19 1bwe s ASP 35 N 0.59 6.42 0.45 3.58 -1.08 -0.09 -4.79 116.67 121.75 1bwe s ASP 35 Ca 0.09 1.01 0.15 0.00 -0.52 0.00 0.00 52.55 53.28 1bwe s ASP 35 Cb -0.12 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 39.84 1bwe s ASP 35 CO 0.01 -1.33 2.00 1.55 0.52 0.00 0.00 175.17 177.92 1bwe h PRO 36 N 10.36 0.00 0.00 4.34 0.13 -1.80 0.54 132.00 145.57 1bwe h PRO 36 Ca -0.28 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.76 1bwe h PRO 36 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1bwe h PRO 36 CO 1.06 0.18 -0.46 -0.44 -0.23 0.00 0.00 178.00 178.11 1bwe h ASP 37 N 0.00 0.00 0.29 1.44 3.32 -1.91 -3.22 116.42 116.33 1bwe h ASP 37 Ca -0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 1bwe h ASP 37 Cb 0.32 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1bwe h ASP 37 CO 0.02 0.44 -1.86 0.52 -1.72 0.00 0.00 179.24 176.64 1bwe n VAL 38 N -3.20 1.72 -1.66 -1.35 0.31 -1.05 -4.91 118.33 108.19 1bwe n VAL 38 Ca 0.02 -0.72 -0.47 0.00 -0.01 0.00 0.00 64.34 63.17 1bwe n VAL 38 Cb 0.71 -1.44 -0.04 0.00 -0.91 0.00 0.00 33.84 32.15 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 3.35 3.28 -3.75 0.00 -5.35 -1.26 -4.81 119.36 110.83 1bwe n ILE 40 Ca 0.17 -2.30 -0.29 0.00 -0.27 0.00 0.00 62.75 60.06 1bwe n ILE 40 Cb 0.28 -0.92 -0.01 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 -0.80 -3.63 0.17 7.28 8.00 -1.26 -4.86 116.55 121.44 1bwe n ASP 41 Ca 0.56 -0.66 0.06 0.00 0.71 0.00 0.00 54.79 55.46 1bwe n ASP 41 Cb 1.01 -2.98 0.13 0.00 -0.02 0.00 0.00 41.12 39.26 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 1.01 0.29 5.00 0.00 0.00 -1.26 -4.98 105.19 105.25 1bwe n GLY 43 Ca 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 6.63 0.00 -0.31 4.61 0.00 -1.26 -4.34 120.51 125.84 1bwe n ALA 44 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1bwe n ALA 44 Cb 0.00 0.00 0.34 0.00 0.00 0.00 0.00 19.45 19.79 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 0.36 0.03 0.00 0.00 4.11 -1.89 -0.65 114.58 116.54 1bwe h GLU 46 Ca 0.60 -0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.77 1bwe h GLU 46 Cb 1.20 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.40 1bwe h GLU 46 CO -0.57 0.02 -1.79 0.00 0.07 0.00 0.00 179.01 176.75 1bwe n ALA 47 N -2.86 1.70 -0.21 1.06 0.00 0.19 -3.98 120.51 116.41 1bwe n ALA 47 Ca 0.27 -0.81 -0.04 0.00 0.00 0.00 0.00 53.44 52.85 1bwe n ALA 47 Cb 0.89 -0.73 0.13 0.00 0.00 0.00 0.00 19.45 19.74 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 1.24 -2.18 0.00 2.07 -0.34 -3.39 116.25 113.65 1bwe h VAL 48 Ca -0.29 -0.81 -0.57 0.00 0.82 0.00 0.00 66.70 65.84 1bwe h VAL 48 Cb 1.88 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1bwe h VAL 48 CO 0.05 0.32 1.39 0.00 0.02 0.00 0.00 177.57 179.35 1bwe n PRO 50 N 8.35 0.82 0.00 0.00 -0.04 -1.26 -1.38 135.00 141.49 1bwe n PRO 50 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1bwe n PRO 50 Cb 0.44 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.57 0.00 -3.48 0.52 0.24 -1.26 -5.07 118.33 109.85 1bwe n VAL 51 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 1bwe n VAL 51 Cb 0.41 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 32.83 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 -0.45 -5.11 0.07 -1.34 7.64 -0.48 -4.92 113.62 109.03 1bwe n SER 52 Ca 0.00 -0.83 0.13 0.00 1.01 0.00 0.00 58.87 59.18 1bwe n SER 52 Cb 0.00 -4.39 0.40 0.00 -1.01 0.00 0.00 64.21 59.20 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 -3.77 2.48 -2.68 -0.43 0.00 -1.26 -4.77 120.51 110.07 1bwe n ALA 53 Ca -0.12 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 1bwe n ALA 53 Cb 0.62 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 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 -3.08 4.80 0.29 0.00 1.01 -1.26 -2.36 121.20 120.59 1bwe s ILE 54 Ca 0.11 1.97 0.04 0.00 0.00 0.00 0.00 60.65 62.77 1bwe s ILE 54 Cb 0.14 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 38.27 1bwe s ILE 54 CO 0.61 -0.00 0.01 -0.31 0.00 0.00 0.00 174.94 175.25 1bwe s TYR 55 N 2.11 1.86 0.49 3.97 2.02 -0.39 -4.86 117.35 122.53 1bwe s TYR 55 Ca 0.46 -0.89 -0.23 0.00 -0.37 0.00 0.00 57.07 56.05 1bwe s TYR 55 Cb -0.18 -1.14 -0.07 0.00 -0.40 0.00 0.00 41.96 40.17 1bwe s TYR 55 CO 0.16 0.06 1.24 -1.58 -1.57 0.00 0.00 175.55 173.86 1bwe s HIS 56 N -3.26 2.67 0.36 2.71 2.46 -1.26 -0.39 115.29 118.58 1bwe s HIS 56 Ca 0.33 1.47 0.07 0.00 0.47 0.00 0.00 55.06 57.40 1bwe s HIS 56 Cb 0.07 -3.54 0.77 0.00 -0.13 0.00 0.00 32.58 29.75 1bwe s HIS 56 CO 0.13 -2.02 1.93 1.05 -2.47 0.00 0.00 174.74 173.36 1bwe h GLU 57 N 1.86 0.71 -0.68 2.88 4.11 -1.35 0.31 114.58 122.42 1bwe h GLU 57 Ca -0.50 -0.04 0.08 0.00 0.07 0.00 0.00 59.36 58.96 1bwe h GLU 57 Cb 1.27 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.29 1bwe h GLU 57 CO 0.59 0.47 0.35 0.22 0.07 0.00 0.00 179.01 180.71 1bwe h ASP 58 N 0.73 0.49 0.56 3.06 3.58 -1.91 -3.22 116.42 119.71 1bwe h ASP 58 Ca 0.35 0.05 -0.25 0.00 0.42 0.00 0.00 57.03 57.60 1bwe h ASP 58 Cb 0.41 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1bwe h ASP 58 CO -0.13 0.30 -1.10 -0.26 -2.88 0.00 0.00 179.24 175.17 1bwe h PHE 59 N 0.63 0.48 -1.74 0.28 -1.00 -0.79 -3.45 116.94 111.34 1bwe h PHE 59 Ca 0.32 -0.31 -0.68 0.00 2.81 0.00 0.00 57.97 60.11 1bwe h PHE 59 Cb 0.28 -0.03 0.03 0.00 3.61 0.00 0.00 35.95 39.84 1bwe h PHE 59 CO -0.10 1.19 0.78 0.28 -1.61 0.00 0.00 178.31 178.86 1bwe n VAL 60 N -3.60 0.22 -1.65 -0.55 0.31 -0.41 -4.89 118.33 107.77 1bwe n VAL 60 Ca -0.07 -0.04 -0.41 0.00 -0.01 0.00 0.00 64.34 63.81 1bwe n VAL 60 Cb 0.94 -1.24 0.01 0.00 -0.91 0.00 0.00 33.84 32.65 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 4.47 1.55 -0.31 5.55 -0.02 -1.26 -4.52 135.00 140.46 1bwe n PRO 61 Ca 0.22 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 62.37 1bwe n PRO 61 Cb 0.19 -2.19 0.24 0.00 -0.02 0.00 0.00 33.50 31.72 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 1.69 0.06 -0.84 -0.52 3.07 -1.93 0.41 114.58 116.51 1bwe h GLU 62 Ca -0.46 -0.00 0.21 0.00 -0.50 0.00 0.00 59.36 58.61 1bwe h GLU 62 Cb 1.32 -0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 29.09 1bwe h GLU 62 CO 0.58 0.04 0.19 0.93 -1.40 0.00 0.00 179.01 179.35 1bwe h GLU 63 N 0.06 0.21 -0.06 2.33 3.07 -2.02 -0.83 114.58 117.33 1bwe h GLU 63 Ca 0.53 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1bwe h GLU 63 Cb 1.03 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 1bwe h GLU 63 CO -0.82 0.14 0.00 0.91 -1.40 0.00 0.00 179.01 177.84 1bwe n TRP 64 N -5.23 0.04 0.31 4.33 8.01 0.12 -4.04 117.44 120.99 1bwe n TRP 64 Ca 0.19 -0.02 0.21 0.00 -1.31 0.00 0.00 57.50 56.56 1bwe n TRP 64 Cb 0.61 0.00 1.07 0.00 -2.01 0.00 0.00 31.31 30.98 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 4.22 0.00 -0.81 -0.99 1.57 0.72 0.14 116.57 121.42 1bwe h LYS 65 Ca 0.00 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1bwe h LYS 65 Cb 0.90 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.13 1bwe h LYS 65 CO 0.00 0.00 0.44 0.66 -0.57 0.00 0.00 179.45 179.98 1bwe h SER 66 N 0.00 0.58 -0.38 0.86 4.64 -1.70 -1.26 113.55 116.29 1bwe h SER 66 Ca 0.00 0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 1bwe h SER 66 Cb 0.06 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1bwe h SER 66 CO 0.00 0.31 0.02 1.88 -0.87 0.00 0.00 176.83 178.16 1bwe h TYR 67 N 0.70 0.80 -0.52 4.77 0.05 -1.01 -0.87 116.97 120.89 1bwe h TYR 67 Ca 0.41 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 59.09 1bwe h TYR 67 Cb 0.46 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 1bwe h TYR 67 CO -0.08 0.73 0.33 0.82 -1.05 0.00 0.00 178.16 178.91 1bwe h ILE 68 N 0.71 1.14 -0.42 -2.88 2.04 -1.28 0.25 117.51 117.08 1bwe h ILE 68 Ca 0.14 -0.29 0.07 0.00 1.00 0.00 0.00 64.86 65.79 1bwe h ILE 68 Cb 0.41 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 1bwe h ILE 68 CO 0.02 0.14 0.05 -0.61 0.00 0.00 0.00 178.15 177.75 1bwe h GLN 69 N 0.70 0.17 -0.45 2.37 4.15 -0.88 0.12 115.11 121.28 1bwe h GLN 69 Ca 0.19 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 1bwe h GLN 69 Cb -0.05 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 1bwe h GLN 69 CO -0.04 0.11 0.25 -0.22 -1.93 0.00 0.00 178.83 177.00 1bwe h LYS 70 N 0.17 0.63 -0.67 1.69 1.63 -0.18 0.11 116.57 119.95 1bwe h LYS 70 Ca 0.21 -0.07 0.03 0.00 -0.85 0.00 0.00 60.65 59.96 1bwe h LYS 70 Cb 0.27 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.74 1bwe h LYS 70 CO -0.30 0.49 0.42 -0.91 -3.45 0.00 0.00 179.45 175.71 1bwe h ASN 71 N 0.59 0.70 0.79 4.20 2.35 -0.19 0.15 115.58 124.17 1bwe h ASN 71 Ca 0.16 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 1bwe h ASN 71 Cb 0.04 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 1bwe h ASN 71 CO -0.03 0.49 -0.48 -0.09 -1.65 0.00 0.00 177.43 175.68 1bwe h ARG 72 N 0.84 -1.14 -0.27 0.81 2.43 -0.33 -3.32 114.38 113.40 1bwe h ARG 72 Ca 0.27 0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.57 1bwe h ARG 72 Cb -0.00 0.26 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 1bwe h ARG 72 CO -0.10 -0.76 -0.13 0.22 -1.51 0.00 0.00 179.97 177.69 1bwe h ASP 73 N -1.18 -0.44 -0.63 -3.80 3.58 -0.60 -3.17 116.42 110.17 1bwe h ASP 73 Ca -0.11 0.11 0.13 0.00 0.42 0.00 0.00 57.03 57.58 1bwe h ASP 73 Cb 0.94 0.25 -0.12 0.00 1.72 0.00 0.00 39.33 42.12 1bwe h ASP 73 CO 0.11 -0.17 -0.14 0.49 -2.88 0.00 0.00 179.24 176.66 1bwe n PHE 74 N -5.30 0.25 0.30 0.28 3.72 0.02 -1.01 117.46 115.71 1bwe n PHE 74 Ca -0.00 0.77 0.04 0.00 -0.05 0.00 0.00 57.45 58.20 1bwe n PHE 74 Cb 0.22 -0.88 0.03 0.00 -0.94 0.00 0.00 39.48 37.90 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 -5.01 0.00 0.09 1.38 3.72 -1.22 -4.66 117.46 111.77 1bwe n PHE 75 Ca 0.11 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.37 1bwe n PHE 75 Cb 0.34 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.76 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 1.34 0.25 0.00 -1.08 6.56 -1.05 -3.53 116.57 119.07 1bwe h LYS 76 Ca 0.00 -0.39 0.00 0.00 -1.06 0.00 0.00 60.65 59.20 1bwe h LYS 76 Cb 0.29 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 1bwe h LYS 76 CO 0.00 1.16 0.00 0.36 -2.06 0.00 0.00 179.45 178.91