#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 3.63 -0.00 0.00 1.51 -1.26 -1.38 117.35 119.84 1bwe s TYR 2 Ca 0.00 0.68 0.02 0.00 -1.01 0.00 0.00 57.07 56.76 1bwe s TYR 2 Cb 0.00 -2.10 -0.01 0.00 -0.11 0.00 0.00 41.96 39.75 1bwe s TYR 2 CO 0.00 0.65 -0.06 0.08 -1.11 0.00 0.00 175.55 175.11 1bwe s VAL 3 N -0.89 0.48 0.53 0.71 1.01 0.54 -4.74 120.40 118.05 1bwe s VAL 3 Ca 0.18 -0.32 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 1bwe s VAL 3 Cb -0.14 -0.42 -0.07 0.00 0.00 0.00 0.00 36.38 35.76 1bwe s VAL 3 CO 0.07 0.09 1.03 -0.51 0.00 0.00 0.00 175.10 175.78 1bwe s ILE 4 N -0.24 3.97 0.18 2.22 2.07 -1.26 -1.42 121.20 126.73 1bwe s ILE 4 Ca 0.01 1.06 -0.08 0.00 -1.41 0.00 0.00 60.65 60.24 1bwe s ILE 4 Cb -0.03 -3.48 -0.02 0.00 0.13 0.00 0.00 42.46 39.06 1bwe s ILE 4 CO -0.00 -0.42 0.27 0.42 -1.91 0.00 0.00 174.94 173.30 1bwe s THR 5 N -2.29 0.05 0.00 4.00 -4.23 -1.21 -4.85 115.64 107.11 1bwe s THR 5 Ca 0.64 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 1bwe s THR 5 Cb -0.15 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.68 1bwe s THR 5 CO 0.28 -0.22 0.00 1.21 -0.54 0.00 0.00 174.62 175.35 1bwe n GLU 6 N -0.24 0.00 0.27 3.99 2.13 -1.26 -1.07 120.64 124.47 1bwe n GLU 6 Ca -0.05 0.00 0.18 0.00 0.66 0.00 0.00 57.16 57.95 1bwe n GLU 6 Cb 0.63 0.00 0.94 0.00 0.27 0.00 0.00 31.44 33.28 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 -0.81 5.31 0.11 -1.98 -0.13 132.00 134.50 1bwe h PRO 7 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 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 0.39 0.00 -0.21 0.00 0.00 178.00 178.18 1bwe n ILE 9 N -4.35 0.54 -2.65 0.00 -0.00 -0.06 -4.83 119.36 108.01 1bwe n ILE 9 Ca 0.08 -0.13 -0.03 0.00 -0.00 0.00 0.00 62.75 62.66 1bwe n ILE 9 Cb 0.14 -1.88 0.05 0.00 -0.00 0.00 0.00 39.64 37.95 1bwe n ILE 9 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1bwe n GLY 10 N 4.63 -1.96 4.99 7.39 0.00 -1.26 -5.06 105.19 113.92 1bwe n GLY 10 Ca 0.24 1.34 0.00 0.00 0.00 0.00 0.00 46.02 47.60 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 2.14 0.00 0.17 2.61 5.66 -1.26 -3.70 114.28 119.90 1bwe n THR 11 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1bwe n THR 11 Cb 0.69 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.47 1bwe n THR 11 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1bwe n LYS 12 N 0.00 0.00 0.00 1.09 3.00 -1.26 -5.06 118.16 115.93 1bwe n LYS 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1bwe n LYS 12 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1bwe n LYS 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bwe n ALA 14 N 0.14 0.00 0.00 0.00 0.00 -1.26 -4.91 120.51 114.47 1bwe n ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bwe n ALA 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 7.84 0.00 -0.04 0.00 7.64 -1.26 -4.47 113.62 123.33 1bwe n SER 15 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1bwe n SER 15 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1bwe n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwe h VAL 17 N 0.17 1.02 0.00 0.00 3.04 -1.89 -2.30 116.25 116.29 1bwe h VAL 17 Ca 0.06 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 1bwe h VAL 17 Cb 0.10 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 29.36 1bwe h VAL 17 CO -0.01 0.18 0.00 -0.62 -1.01 0.00 0.00 177.57 176.11 1bwe n GLU 18 N -4.63 0.11 -0.00 4.17 4.71 -1.18 -3.56 120.64 120.26 1bwe n GLU 18 Ca 0.13 0.22 0.00 0.00 -0.01 0.00 0.00 57.16 57.50 1bwe n GLU 18 Cb 0.20 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 29.12 1bwe n GLU 18 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1bwe n VAL 19 N -1.37 0.01 -1.81 2.62 3.14 -0.88 -5.05 118.33 115.00 1bwe n VAL 19 Ca 0.05 -0.01 -0.42 0.00 -2.96 0.00 0.00 64.34 61.00 1bwe n VAL 19 Cb 0.11 0.05 -0.03 0.00 -1.06 0.00 0.00 33.84 32.92 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 7.18 0.24 -1.84 0.00 0.11 -1.95 -3.06 132.00 132.69 1bwe h PRO 21 Ca -0.43 -0.01 -0.48 0.00 0.11 0.00 0.00 66.00 65.18 1bwe h PRO 21 Cb 1.20 -0.05 -0.40 0.00 0.11 0.00 0.00 31.00 31.86 1bwe h PRO 21 CO 0.94 0.16 -1.10 1.33 -0.21 0.00 0.00 178.00 179.12 1bwe n VAL 22 N -5.14 0.64 0.00 3.15 0.24 -1.26 -5.09 118.33 110.86 1bwe n VAL 22 Ca 0.29 -4.47 0.00 0.00 -2.04 0.00 0.00 64.34 58.12 1bwe n VAL 22 Cb 0.92 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 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 0.11 0.00 -1.13 -1.34 2.03 -1.16 -4.89 116.55 110.17 1bwe n ASP 23 Ca 0.24 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.59 1bwe n ASP 23 Cb 0.65 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 41.14 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 -1.27 3.62 -0.00 0.00 -1.09 -1.25 -0.51 121.20 120.70 1bwe s ILE 25 Ca 0.35 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 57.90 1bwe s ILE 25 Cb 0.38 -2.91 -0.00 0.00 -1.58 0.00 0.00 42.46 38.34 1bwe s ILE 25 CO -0.13 0.05 -0.04 -1.00 -1.23 0.00 0.00 174.94 172.59 1bwe s HIS 26 N 1.43 0.39 0.82 3.97 3.76 0.52 -4.80 115.29 121.37 1bwe s HIS 26 Ca 0.01 -0.10 -0.11 0.00 -0.15 0.00 0.00 55.06 54.72 1bwe s HIS 26 Cb -0.18 -0.25 0.08 0.00 1.11 0.00 0.00 32.58 33.35 1bwe s HIS 26 CO 0.01 -0.01 1.10 -1.21 -0.85 0.00 0.00 174.74 173.77 1bwe s GLU 27 N -0.19 1.90 0.12 1.40 2.02 -1.26 0.28 118.70 122.97 1bwe s GLU 27 Ca 0.01 1.19 0.00 0.00 0.02 0.00 0.00 54.97 56.19 1bwe s GLU 27 Cb -0.02 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.35 1bwe s GLU 27 CO -0.00 -1.90 0.00 0.41 0.02 0.00 0.00 175.26 173.79 1bwe n GLY 28 N -0.94 -0.96 0.69 -1.39 0.00 -1.26 -4.84 105.19 96.49 1bwe n GLY 28 Ca 0.09 0.17 -0.02 0.00 0.00 0.00 0.00 46.02 46.26 1bwe n GLY 28 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1bwe n GLU 29 N -2.71 0.13 0.10 1.61 0.28 -1.26 -5.06 120.64 113.73 1bwe n GLU 29 Ca 0.00 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1bwe n GLU 29 Cb 0.00 -0.62 0.00 0.00 1.43 0.00 0.00 31.44 32.25 1bwe n GLU 29 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1bwe n ASP 30 N -3.42 -1.71 -4.76 -1.84 2.03 -1.26 -5.13 116.55 100.46 1bwe n ASP 30 Ca -0.03 0.40 -0.38 0.00 0.52 0.00 0.00 54.79 55.29 1bwe n ASP 30 Cb 0.13 1.82 0.01 0.00 -0.72 0.00 0.00 41.12 42.36 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 -2.00 3.63 -0.62 -0.67 1.03 -1.26 -4.81 119.66 114.96 1bwe s GLN 31 Ca 0.00 2.03 -0.24 0.00 0.04 0.00 0.00 55.36 57.19 1bwe s GLN 31 Cb 0.00 -2.47 0.05 0.00 0.03 0.00 0.00 33.01 30.62 1bwe s GLN 31 CO 0.00 -0.73 1.00 0.71 -2.54 0.00 0.00 175.29 173.73 1bwe s TYR 32 N -1.39 2.68 -0.29 9.60 1.51 -1.26 -4.26 117.35 123.95 1bwe s TYR 32 Ca 0.64 -0.24 -0.33 0.00 -1.01 0.00 0.00 57.07 56.14 1bwe s TYR 32 Cb -0.35 -4.24 -0.09 0.00 -0.11 0.00 0.00 41.96 37.17 1bwe s TYR 32 CO 0.43 -1.57 2.19 0.66 -1.11 0.00 0.00 175.55 176.15 1bwe n TYR 33 N 7.81 1.76 -2.76 2.71 4.02 0.14 -4.22 117.16 126.62 1bwe n TYR 33 Ca -0.00 0.12 -0.43 0.00 -0.01 0.00 0.00 57.90 57.58 1bwe n TYR 33 Cb 0.47 -2.61 -0.03 0.00 -0.02 0.00 0.00 39.34 37.15 1bwe n TYR 33 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1bwe s ILE 34 N 7.54 4.58 -0.07 -0.72 1.01 -1.26 -0.35 121.20 131.93 1bwe s ILE 34 Ca 1.06 1.37 -0.29 0.00 0.00 0.00 0.00 60.65 62.78 1bwe s ILE 34 Cb -0.66 -4.34 -0.07 0.00 0.01 0.00 0.00 42.46 37.40 1bwe s ILE 34 CO 0.44 -0.49 1.91 -0.62 0.00 0.00 0.00 174.94 176.18 1bwe s ASP 35 N 1.79 6.27 0.41 3.58 -1.08 0.34 -4.84 116.67 123.15 1bwe s ASP 35 Ca 0.40 2.28 0.22 0.00 -0.52 0.00 0.00 52.55 54.92 1bwe s ASP 35 Cb -0.12 -2.53 0.81 0.00 -1.46 0.00 0.00 42.92 39.62 1bwe s ASP 35 CO 0.17 -1.25 1.78 1.55 0.52 0.00 0.00 175.17 177.95 1bwe h PRO 36 N 11.34 0.00 0.17 4.34 0.13 -1.85 0.31 132.00 146.44 1bwe h PRO 36 Ca -0.44 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.40 1bwe h PRO 36 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.36 1bwe h PRO 36 CO 0.96 0.29 -1.34 0.22 -0.23 0.00 0.00 178.00 177.90 1bwe h ASP 37 N 0.00 0.55 0.78 1.44 3.58 -1.92 -3.32 116.42 117.53 1bwe h ASP 37 Ca -0.00 -0.60 -0.22 0.00 0.42 0.00 0.00 57.03 56.63 1bwe h ASP 37 Cb 0.81 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 1bwe h ASP 37 CO 0.04 1.47 -1.02 0.58 -2.88 0.00 0.00 179.24 177.43 1bwe h VAL 38 N 0.10 1.59 -2.46 2.25 2.07 -1.91 -3.44 116.25 114.45 1bwe h VAL 38 Ca -0.18 -3.07 -0.53 0.00 0.82 0.00 0.00 66.70 63.74 1bwe h VAL 38 Cb 2.04 2.75 0.04 0.00 -1.52 0.00 0.00 31.29 34.59 1bwe h VAL 38 CO 0.22 0.89 1.13 0.00 0.02 0.00 0.00 177.57 179.83 1bwe n ILE 40 N 4.86 2.96 -4.02 0.00 -5.35 -1.26 -4.83 119.36 111.71 1bwe n ILE 40 Ca 0.18 -1.93 -0.42 0.00 -0.27 0.00 0.00 62.75 60.32 1bwe n ILE 40 Cb 0.38 -1.07 0.02 0.00 -1.74 0.00 0.00 39.64 37.22 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 -0.32 -4.03 -1.16 7.28 8.00 -1.26 -4.99 116.55 120.07 1bwe n ASP 41 Ca 0.43 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.73 1bwe n ASP 41 Cb 0.83 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.42 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 -1.40 0.82 0.23 0.00 0.00 -1.26 -4.97 107.32 100.73 1bwe s GLY 43 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.42 1bwe s GLY 43 CO 0.00 1.73 0.00 0.00 0.00 0.00 0.00 173.10 174.83 1bwe n ALA 44 N 5.01 0.00 0.16 3.20 0.00 -1.26 -4.94 120.51 122.68 1bwe n ALA 44 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.25 1bwe n ALA 44 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.34 -0.37 -0.96 0.00 -0.00 -1.93 0.18 114.58 111.16 1bwe h GLU 46 Ca -0.03 0.03 0.13 0.00 -0.00 0.00 0.00 59.36 59.48 1bwe h GLU 46 Cb 0.26 0.08 -0.08 0.00 -0.00 0.00 0.00 28.75 29.02 1bwe h GLU 46 CO 0.05 -0.25 0.61 0.00 -0.00 0.00 0.00 179.01 179.43 1bwe h ALA 47 N 0.45 1.63 -0.24 1.06 0.00 -1.85 -2.66 119.26 117.66 1bwe h ALA 47 Ca 0.10 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1bwe h ALA 47 Cb 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1bwe h ALA 47 CO -0.35 0.12 -0.49 0.28 0.00 0.00 0.00 179.25 178.81 1bwe h VAL 48 N 0.89 1.30 -1.89 0.00 2.07 0.35 -3.43 116.25 115.54 1bwe h VAL 48 Ca 0.48 -1.70 -0.60 0.00 0.82 0.00 0.00 66.70 65.71 1bwe h VAL 48 Cb 0.57 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1bwe h VAL 48 CO -0.25 0.54 1.44 0.00 0.02 0.00 0.00 177.57 179.32 1bwe n PRO 50 N 8.44 0.76 0.00 0.00 -0.04 -1.26 -0.79 135.00 142.10 1bwe n PRO 50 Ca 0.30 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1bwe n PRO 50 Cb 0.40 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.23 0.00 -3.50 0.52 0.24 -1.26 -5.07 118.33 109.50 1bwe n VAL 51 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.06 1bwe n VAL 51 Cb 0.23 -0.18 0.05 0.00 -1.47 0.00 0.00 33.84 32.48 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 -0.77 -5.71 0.16 -1.34 7.64 0.03 -4.92 113.62 108.70 1bwe n SER 52 Ca 0.00 -0.88 0.05 0.00 1.01 0.00 0.00 58.87 59.05 1bwe n SER 52 Cb 0.10 -4.19 0.11 0.00 -1.01 0.00 0.00 64.21 59.22 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 0.44 0.77 -2.29 -0.43 0.00 -1.88 -3.43 119.26 112.44 1bwe h ALA 53 Ca -0.64 -0.35 -0.55 0.00 0.00 0.00 0.00 54.91 53.36 1bwe h ALA 53 Cb 1.34 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1bwe h ALA 53 CO 0.47 0.48 0.63 0.42 0.00 0.00 0.00 179.25 181.25 1bwe s ILE 54 N -3.10 4.51 0.30 0.00 1.01 -1.26 -3.31 121.20 119.36 1bwe s ILE 54 Ca 0.04 1.81 0.03 0.00 0.00 0.00 0.00 60.65 62.52 1bwe s ILE 54 Cb 0.08 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1bwe s ILE 54 CO 0.72 0.01 0.09 -0.31 0.00 0.00 0.00 174.94 175.45 1bwe s TYR 55 N 2.07 1.72 0.55 3.97 2.02 -0.50 -4.82 117.35 122.35 1bwe s TYR 55 Ca 0.52 -1.14 -0.21 0.00 -0.37 0.00 0.00 57.07 55.87 1bwe s TYR 55 Cb -0.22 -1.05 -0.05 0.00 -0.40 0.00 0.00 41.96 40.24 1bwe s TYR 55 CO 0.20 -0.23 1.30 -1.58 -1.57 0.00 0.00 175.55 173.67 1bwe s HIS 56 N -3.53 2.39 0.29 2.71 2.46 -1.26 -0.34 115.29 118.02 1bwe s HIS 56 Ca 0.36 1.43 0.05 0.00 0.47 0.00 0.00 55.06 57.37 1bwe s HIS 56 Cb 0.07 -3.67 0.74 0.00 -0.13 0.00 0.00 32.58 29.59 1bwe s HIS 56 CO 0.15 -2.56 1.72 1.05 -2.47 0.00 0.00 174.74 172.63 1bwe h GLU 57 N 1.41 0.50 -0.97 2.88 4.11 -1.55 0.31 114.58 121.26 1bwe h GLU 57 Ca -0.51 -0.03 0.01 0.00 0.07 0.00 0.00 59.36 58.90 1bwe h GLU 57 Cb 1.29 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 1bwe h GLU 57 CO 0.57 0.33 0.64 -0.44 0.07 0.00 0.00 179.01 180.18 1bwe h ASP 58 N 0.52 1.13 0.57 3.06 5.19 -1.90 -3.19 116.42 121.78 1bwe h ASP 58 Ca 0.57 -0.04 -0.26 0.00 -0.62 0.00 0.00 57.03 56.69 1bwe h ASP 58 Cb 1.02 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.25 1bwe h ASP 58 CO -0.47 0.82 -1.15 -0.26 -3.12 0.00 0.00 179.24 175.06 1bwe h PHE 59 N 1.32 0.50 -1.88 4.55 -1.00 -0.82 -3.44 116.94 116.18 1bwe h PHE 59 Ca 0.36 -0.34 -0.66 0.00 2.81 0.00 0.00 57.97 60.14 1bwe h PHE 59 Cb -0.14 -0.03 0.03 0.00 3.61 0.00 0.00 35.95 39.42 1bwe h PHE 59 CO -0.00 1.23 0.86 0.28 -1.61 0.00 0.00 178.31 179.07 1bwe n VAL 60 N -3.59 0.28 -1.62 -0.55 0.31 -0.23 -4.90 118.33 108.03 1bwe n VAL 60 Ca -0.08 -0.05 -0.41 0.00 -0.01 0.00 0.00 64.34 63.80 1bwe n VAL 60 Cb 0.96 -1.43 0.02 0.00 -0.91 0.00 0.00 33.84 32.49 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 4.86 1.35 -0.32 5.55 -0.02 -1.26 -4.48 135.00 140.68 1bwe n PRO 61 Ca 0.22 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 62.32 1bwe n PRO 61 Cb 0.23 -2.11 0.27 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 1.42 0.04 -0.79 -0.52 3.07 -1.92 0.44 114.58 116.31 1bwe h GLU 62 Ca -0.46 -0.00 0.19 0.00 -0.50 0.00 0.00 59.36 58.59 1bwe h GLU 62 Cb 1.34 -0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 29.11 1bwe h GLU 62 CO 0.56 0.03 0.13 0.93 -1.40 0.00 0.00 179.01 179.26 1bwe h GLU 63 N 0.04 0.18 -0.02 2.33 3.07 -2.02 -1.27 114.58 116.89 1bwe h GLU 63 Ca 0.57 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.42 1bwe h GLU 63 Cb 1.14 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1bwe h GLU 63 CO -0.86 0.12 -0.25 0.91 -1.40 0.00 0.00 179.01 177.54 1bwe n TRP 64 N -5.25 0.00 0.27 4.33 8.01 0.12 -3.90 117.44 121.03 1bwe n TRP 64 Ca 0.16 0.00 0.17 0.00 -1.31 0.00 0.00 57.50 56.53 1bwe n TRP 64 Cb 0.54 -0.03 0.91 0.00 -2.01 0.00 0.00 31.31 30.73 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 2.69 0.00 -0.73 -0.99 1.57 0.53 0.16 116.57 119.79 1bwe h LYS 65 Ca 0.00 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 1bwe h LYS 65 Cb 0.72 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.94 1bwe h LYS 65 CO 0.00 0.00 0.27 0.66 -0.57 0.00 0.00 179.45 179.81 1bwe h SER 66 N 0.00 0.24 -0.01 0.86 4.64 -1.68 0.64 113.55 118.25 1bwe h SER 66 Ca 0.00 0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 1bwe h SER 66 Cb 0.05 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1bwe h SER 66 CO 0.00 0.09 -0.14 1.88 -0.87 0.00 0.00 176.83 177.80 1bwe h TYR 67 N 0.42 0.32 -0.21 4.77 0.05 -0.98 -0.33 116.97 121.00 1bwe h TYR 67 Ca 0.40 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 59.12 1bwe h TYR 67 Cb 0.59 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 1bwe h TYR 67 CO -0.18 0.43 0.07 0.82 -1.05 0.00 0.00 178.16 178.26 1bwe h ILE 68 N 0.28 1.18 -0.11 -2.88 5.03 -0.93 0.30 117.51 120.39 1bwe h ILE 68 Ca 0.06 -0.56 0.04 0.00 -0.12 0.00 0.00 64.86 64.28 1bwe h ILE 68 Cb 0.42 1.15 -0.06 0.00 -3.03 0.00 0.00 36.82 35.30 1bwe h ILE 68 CO 0.02 0.18 -0.26 -0.61 -0.68 0.00 0.00 178.15 176.80 1bwe h GLN 69 N 0.18 -0.34 -0.61 2.37 -0.00 -0.96 -0.36 115.11 115.39 1bwe h GLN 69 Ca 0.07 0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.72 1bwe h GLN 69 Cb 0.21 0.08 -0.03 0.00 0.00 0.00 0.00 27.48 27.74 1bwe h GLN 69 CO -0.00 -0.22 0.30 -0.22 0.00 0.00 0.00 178.83 178.69 1bwe h LYS 70 N -0.35 0.87 -0.92 1.69 1.63 -0.58 0.11 116.57 119.01 1bwe h LYS 70 Ca 0.09 -0.12 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1bwe h LYS 70 Cb 0.49 -0.16 -0.05 0.00 -0.60 0.00 0.00 32.23 31.91 1bwe h LYS 70 CO -0.30 0.69 0.61 -0.91 -3.45 0.00 0.00 179.45 176.08 1bwe h ASN 71 N 0.83 1.06 0.10 4.20 2.35 -0.28 0.15 115.58 123.99 1bwe h ASN 71 Ca 0.21 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1bwe h ASN 71 Cb 0.10 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.20 1bwe h ASN 71 CO -0.03 0.77 -0.05 -0.09 -1.65 0.00 0.00 177.43 176.39 1bwe h ARG 72 N 1.25 -0.13 -0.09 0.81 2.43 0.20 -3.36 114.38 115.50 1bwe h ARG 72 Ca 0.34 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.49 1bwe h ARG 72 Cb -0.14 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1bwe h ARG 72 CO -0.07 0.11 -0.06 0.22 -1.51 0.00 0.00 179.97 178.66 1bwe h ASP 73 N -0.36 0.21 -0.56 -3.80 3.58 -0.55 -3.32 116.42 111.62 1bwe h ASP 73 Ca -0.01 -0.44 0.07 0.00 0.42 0.00 0.00 57.03 57.07 1bwe h ASP 73 Cb 0.30 -0.06 -0.08 0.00 1.72 0.00 0.00 39.33 41.21 1bwe h ASP 73 CO 0.02 0.60 -0.26 0.49 -2.88 0.00 0.00 179.24 177.22 1bwe n PHE 74 N -4.72 -0.08 1.03 0.28 3.01 0.49 -0.26 117.46 117.22 1bwe n PHE 74 Ca -0.07 0.69 0.12 0.00 1.01 0.00 0.00 57.45 59.20 1bwe n PHE 74 Cb 0.28 -0.65 0.07 0.00 -0.01 0.00 0.00 39.48 39.17 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 -4.77 0.00 -3.41 1.38 3.72 -1.26 -4.74 117.46 108.38 1bwe n PHE 75 Ca 0.04 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.03 1bwe n PHE 75 Cb 0.19 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.29 3.31 0.00 -1.08 4.01 0.65 -5.19 118.16 120.15 1bwe n LYS 76 Ca 0.11 -4.48 0.00 0.00 -0.51 0.00 0.00 58.31 53.43 1bwe n LYS 76 Cb 0.49 -2.49 0.00 0.00 -0.51 0.00 0.00 35.03 32.52 1bwe n LYS 76 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65