#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 3.49 -0.03 0.00 1.51 -1.26 -1.89 117.35 119.18 1bwe s TYR 2 Ca 0.00 0.29 -0.03 0.00 -1.01 0.00 0.00 57.07 56.31 1bwe s TYR 2 Cb 0.00 -1.78 0.01 0.00 -0.11 0.00 0.00 41.96 40.07 1bwe s TYR 2 CO 0.00 0.61 0.09 0.08 -1.11 0.00 0.00 175.55 175.22 1bwe s VAL 3 N -1.38 0.02 0.94 0.71 1.01 0.49 -4.47 120.40 117.73 1bwe s VAL 3 Ca 0.29 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 1bwe s VAL 3 Cb -0.13 -0.19 0.15 0.00 0.00 0.00 0.00 36.38 36.22 1bwe s VAL 3 CO 0.21 -0.10 1.11 0.27 0.00 0.00 0.00 175.10 176.59 1bwe s ILE 4 N -0.29 2.23 0.24 2.22 -0.00 -1.26 -1.32 121.20 123.02 1bwe s ILE 4 Ca -0.04 0.07 -0.05 0.00 -0.00 0.00 0.00 60.65 60.64 1bwe s ILE 4 Cb -0.02 -2.67 -0.02 0.00 -0.00 0.00 0.00 42.46 39.75 1bwe s ILE 4 CO 0.00 -0.10 0.30 0.42 -0.00 0.00 0.00 174.94 175.57 1bwe s THR 5 N -3.07 0.00 0.00 8.37 -4.23 -1.18 -4.85 115.64 110.68 1bwe s THR 5 Ca 0.64 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 1bwe s THR 5 Cb -0.17 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1bwe s THR 5 CO 0.56 0.00 0.00 1.21 -0.54 0.00 0.00 174.62 175.85 1bwe n GLU 6 N -0.37 0.00 0.18 3.99 4.07 -1.26 -0.39 120.64 126.86 1bwe n GLU 6 Ca 0.01 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.24 1bwe n GLU 6 Cb 0.64 0.00 0.63 0.00 -0.06 0.00 0.00 31.44 32.65 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 0.00 5.31 0.11 -1.97 -0.96 132.00 134.49 1bwe h PRO 7 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 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 -0.32 0.00 -0.21 0.00 0.00 178.00 177.47 1bwe n ILE 9 N -3.60 0.34 0.00 0.00 -0.00 -0.37 -4.69 119.36 111.05 1bwe n ILE 9 Ca -0.01 -0.15 0.00 0.00 -0.00 0.00 0.00 62.75 62.59 1bwe n ILE 9 Cb 0.44 -1.58 0.00 0.00 -0.00 0.00 0.00 39.64 38.51 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 5.21 1.24 3.66 7.39 0.00 -0.45 -5.00 105.19 117.23 1bwe n GLY 10 Ca 0.31 0.31 -0.42 0.00 0.00 0.00 0.00 46.02 46.22 1bwe n GLY 10 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1bwe s THR 11 N -0.03 3.00 -1.25 2.61 -1.32 -1.26 -3.25 115.64 114.14 1bwe s THR 11 Ca 0.00 0.01 -0.01 0.00 -1.21 0.00 0.00 61.69 60.48 1bwe s THR 11 Cb 0.00 -3.00 0.00 0.00 -1.51 0.00 0.00 72.50 67.99 1bwe s THR 11 CO 0.00 -0.00 0.01 0.29 -2.21 0.00 0.00 174.62 172.71 1bwe n LYS 12 N 7.61 -0.94 0.08 7.08 4.76 -1.26 -4.86 118.16 130.63 1bwe n LYS 12 Ca 0.20 0.07 -0.13 0.00 -2.87 0.00 0.00 58.31 55.59 1bwe n LYS 12 Cb 0.41 -2.88 -0.07 0.00 -1.84 0.00 0.00 35.03 30.65 1bwe n LYS 12 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bwe n ALA 14 N -2.15 0.00 -3.34 0.00 0.00 -1.26 -4.94 120.51 108.83 1bwe n ALA 14 Ca -0.08 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.19 1bwe n ALA 14 Cb 0.08 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.60 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 2.42 -3.80 0.00 0.00 7.64 -1.26 -4.69 113.62 113.93 1bwe n SER 15 Ca 0.00 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.38 1bwe n SER 15 Cb 0.00 -4.47 0.00 0.00 -1.01 0.00 0.00 64.21 58.73 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 0.00 1.41 0.00 0.00 -1.51 -1.97 -3.28 116.25 110.90 1bwe h VAL 17 Ca 0.00 -1.81 0.00 0.00 -1.23 0.00 0.00 66.70 63.66 1bwe h VAL 17 Cb 0.00 2.33 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 1bwe h VAL 17 CO 0.00 0.53 0.00 -1.84 -1.23 0.00 0.00 177.57 175.03 1bwe n GLU 18 N -4.33 0.37 0.00 5.19 0.00 -1.26 -2.41 120.64 118.19 1bwe n GLU 18 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.08 1bwe n GLU 18 Cb 0.56 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.51 1bwe n GLU 18 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1bwe n VAL 19 N -0.99 0.00 -2.46 3.84 0.24 -1.25 -5.08 118.33 112.63 1bwe n VAL 19 Ca 0.09 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.34 61.86 1bwe n VAL 19 Cb 0.04 0.54 -0.03 0.00 -1.47 0.00 0.00 33.84 32.92 1bwe n VAL 19 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bwe s PRO 21 N 1.99 3.99 -1.38 0.00 0.04 -1.26 -3.17 135.00 135.22 1bwe s PRO 21 Ca 0.56 2.42 -0.14 0.00 0.04 0.00 0.00 61.00 63.88 1bwe s PRO 21 Cb -0.25 -2.85 0.13 0.00 0.04 0.00 0.00 34.50 31.56 1bwe s PRO 21 CO 0.23 -0.57 0.53 1.33 0.04 0.00 0.00 177.00 178.57 1bwe n VAL 22 N 0.25 -0.62 -3.95 -0.36 0.24 -1.26 -3.80 118.33 108.83 1bwe n VAL 22 Ca 0.02 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.07 1bwe n VAL 22 Cb 0.41 -1.22 -0.08 0.00 -1.47 0.00 0.00 33.84 31.48 1bwe n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1bwe n ASP 23 N -2.32 0.56 -1.37 -1.34 9.92 -1.19 -4.82 116.55 116.00 1bwe n ASP 23 Ca 0.05 -1.02 -0.07 0.00 -0.53 0.00 0.00 54.79 53.22 1bwe n ASP 23 Cb 0.50 -1.27 0.05 0.00 -0.64 0.00 0.00 41.12 39.77 1bwe n ASP 23 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bwe s ILE 25 N -0.98 2.70 0.04 0.00 -0.00 -1.26 -0.75 121.20 120.95 1bwe s ILE 25 Ca 0.17 -1.01 -0.03 0.00 -0.00 0.00 0.00 60.65 59.78 1bwe s ILE 25 Cb 0.14 -2.06 -0.03 0.00 -0.00 0.00 0.00 42.46 40.51 1bwe s ILE 25 CO 0.03 0.48 0.02 -1.00 -0.00 0.00 0.00 174.94 174.48 1bwe s HIS 26 N -0.78 0.36 -0.06 1.37 3.76 0.85 -4.96 115.29 115.83 1bwe s HIS 26 Ca 0.12 -0.78 -0.18 0.00 -0.15 0.00 0.00 55.06 54.07 1bwe s HIS 26 Cb -0.10 -0.26 -0.05 0.00 1.11 0.00 0.00 32.58 33.28 1bwe s HIS 26 CO 0.02 -0.35 0.49 -1.21 -0.85 0.00 0.00 174.74 172.83 1bwe s GLU 27 N -3.12 4.22 -0.09 1.40 2.02 -1.26 0.41 118.70 122.28 1bwe s GLU 27 Ca -0.01 0.51 -0.25 0.00 0.02 0.00 0.00 54.97 55.25 1bwe s GLU 27 Cb 0.02 -3.35 -0.29 0.00 0.10 0.00 0.00 34.13 30.61 1bwe s GLU 27 CO -0.07 0.36 0.81 0.78 0.02 0.00 0.00 175.26 177.16 1bwe h GLY 28 N 5.88 0.19 0.00 -1.39 0.00 -1.03 -3.47 103.07 103.25 1bwe h GLY 28 Ca -0.45 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.40 1bwe h GLY 28 CO 0.70 0.42 0.00 -2.21 0.00 0.00 0.00 176.54 175.45 1bwe n GLU 29 N -4.33 0.00 -2.12 4.80 4.07 -1.26 -4.96 120.64 116.85 1bwe n GLU 29 Ca -0.13 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.58 1bwe n GLU 29 Cb 0.68 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 32.08 1bwe n GLU 29 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1bwe n ASP 30 N 0.00 7.40 -3.65 4.31 9.92 -1.26 -4.68 116.55 128.59 1bwe n ASP 30 Ca 0.00 -3.67 -0.02 0.00 -0.53 0.00 0.00 54.79 50.57 1bwe n ASP 30 Cb 0.00 -1.14 -0.07 0.00 -0.64 0.00 0.00 41.12 39.27 1bwe n ASP 30 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1bwe s GLN 31 N -3.68 0.09 0.39 -1.24 2.00 -1.25 -1.35 119.66 114.62 1bwe s GLN 31 Ca 0.49 0.12 0.08 0.00 -2.00 0.00 0.00 55.36 54.04 1bwe s GLN 31 Cb 0.33 0.04 -0.01 0.00 0.80 0.00 0.00 33.01 34.17 1bwe s GLN 31 CO -0.28 -0.01 0.47 0.71 -0.50 0.00 0.00 175.29 175.68 1bwe s TYR 32 N 0.31 2.86 -0.13 1.67 1.51 -1.26 -0.44 117.35 121.88 1bwe s TYR 32 Ca 0.03 -0.37 -0.05 0.00 -1.01 0.00 0.00 57.07 55.67 1bwe s TYR 32 Cb -0.04 -2.18 0.06 0.00 -0.11 0.00 0.00 41.96 39.69 1bwe s TYR 32 CO -0.14 -0.19 0.25 0.71 -1.11 0.00 0.00 175.55 175.07 1bwe s TYR 33 N -2.34 -0.39 -0.09 2.71 2.02 0.16 -4.69 117.35 114.73 1bwe s TYR 33 Ca 0.50 0.92 -0.20 0.00 -0.37 0.00 0.00 57.07 57.92 1bwe s TYR 33 Cb -0.08 -0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.37 1bwe s TYR 33 CO 0.31 -0.35 0.54 0.42 -1.57 0.00 0.00 175.55 174.89 1bwe s ILE 34 N 2.40 5.12 -0.28 2.71 1.01 -1.26 -0.10 121.20 130.81 1bwe s ILE 34 Ca 0.02 1.09 -0.29 0.00 0.00 0.00 0.00 60.65 61.47 1bwe s ILE 34 Cb -0.12 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 1bwe s ILE 34 CO -0.08 0.32 1.43 -0.62 0.00 0.00 0.00 174.94 176.00 1bwe s ASP 35 N 0.54 6.53 0.39 3.58 -1.08 0.07 -4.82 116.67 121.88 1bwe s ASP 35 Ca 0.29 1.35 0.12 0.00 -0.52 0.00 0.00 52.55 53.78 1bwe s ASP 35 Cb -0.16 -2.54 0.80 0.00 -1.46 0.00 0.00 42.92 39.56 1bwe s ASP 35 CO 0.13 -1.18 1.89 1.55 0.52 0.00 0.00 175.17 178.09 1bwe h PRO 36 N 9.96 0.09 0.00 4.34 0.13 -1.78 0.03 132.00 144.78 1bwe h PRO 36 Ca -0.29 -0.03 -0.20 0.00 -0.87 0.00 0.00 66.00 64.61 1bwe h PRO 36 Cb 1.12 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 1bwe h PRO 36 CO 1.02 0.34 -1.07 -0.44 -0.23 0.00 0.00 178.00 177.62 1bwe h ASP 37 N 0.09 0.00 0.90 1.44 3.32 -1.92 -3.22 116.42 117.03 1bwe h ASP 37 Ca 0.01 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.87 1bwe h ASP 37 Cb 0.48 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 1bwe h ASP 37 CO 0.03 0.84 -1.19 0.58 -1.72 0.00 0.00 179.24 177.79 1bwe h VAL 38 N 0.00 0.95 -2.35 -1.35 2.07 -1.91 -3.45 116.25 110.21 1bwe h VAL 38 Ca -0.08 -2.55 -0.54 0.00 0.82 0.00 0.00 66.70 64.35 1bwe h VAL 38 Cb 1.71 2.40 0.02 0.00 -1.52 0.00 0.00 31.29 33.91 1bwe h VAL 38 CO 0.10 0.54 1.20 0.00 0.02 0.00 0.00 177.57 179.43 1bwe n ILE 40 N 5.36 3.00 -4.21 0.00 -5.35 -1.26 -4.66 119.36 112.24 1bwe n ILE 40 Ca 0.20 -1.92 -0.35 0.00 -0.27 0.00 0.00 62.75 60.42 1bwe n ILE 40 Cb 0.39 -0.84 -0.03 0.00 -1.74 0.00 0.00 39.64 37.42 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 -0.68 -2.48 0.22 7.28 8.00 -1.26 -4.85 116.55 122.77 1bwe n ASP 41 Ca 0.49 -1.04 0.10 0.00 0.71 0.00 0.00 54.79 55.05 1bwe n ASP 41 Cb 1.12 -2.67 0.41 0.00 -0.02 0.00 0.00 41.12 39.96 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 0.35 0.36 5.00 0.00 0.00 -1.26 -4.97 105.19 104.67 1bwe n GLY 43 Ca 0.01 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 8.23 0.00 -0.19 4.61 0.00 -1.26 -4.40 120.51 127.50 1bwe n ALA 44 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1bwe n ALA 44 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.04 0.23 0.09 0.00 4.11 -1.90 -0.55 114.58 116.52 1bwe h GLU 46 Ca 0.27 -0.01 -0.30 0.00 0.07 0.00 0.00 59.36 59.39 1bwe h GLU 46 Cb 0.45 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1bwe h GLU 46 CO -0.61 0.15 -1.57 0.00 0.07 0.00 0.00 179.01 177.06 1bwe h ALA 47 N 1.87 0.37 0.00 1.06 0.00 -0.97 -3.35 119.26 118.24 1bwe h ALA 47 Ca 0.71 -1.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 1bwe h ALA 47 Cb 1.63 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 1bwe h ALA 47 CO -0.66 1.23 -0.53 -0.39 0.00 0.00 0.00 179.25 178.90 1bwe h VAL 48 N 0.05 0.94 -2.04 0.00 -1.51 -0.24 -3.42 116.25 110.03 1bwe h VAL 48 Ca -0.25 -2.26 -0.58 0.00 -1.23 0.00 0.00 66.70 62.38 1bwe h VAL 48 Cb 2.00 2.41 0.00 0.00 -2.13 0.00 0.00 31.29 33.58 1bwe h VAL 48 CO 0.14 0.52 1.45 0.00 -1.23 0.00 0.00 177.57 178.45 1bwe n PRO 50 N 8.53 2.00 0.00 0.00 -0.04 -1.26 -1.36 135.00 142.86 1bwe n PRO 50 Ca 0.28 -1.10 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 1bwe n PRO 50 Cb 0.44 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 1bwe n PRO 50 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1bwe n VAL 51 N 2.28 0.00 -3.37 0.52 3.14 -1.26 -5.06 118.33 114.58 1bwe n VAL 51 Ca 0.42 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.61 1bwe n VAL 51 Cb 0.86 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 33.71 1bwe n VAL 51 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1bwe n SER 52 N -0.68 -5.54 0.16 6.55 7.64 -0.47 -4.92 113.62 116.36 1bwe n SER 52 Ca 0.00 -0.76 0.12 0.00 1.01 0.00 0.00 58.87 59.25 1bwe n SER 52 Cb 0.00 -4.84 0.26 0.00 -1.01 0.00 0.00 64.21 58.62 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 0.25 0.96 -2.29 -0.43 0.00 -1.87 -3.45 119.26 112.43 1bwe h ALA 53 Ca -0.62 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 53.74 1bwe h ALA 53 Cb 1.32 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1bwe h ALA 53 CO 0.46 0.00 0.63 0.42 0.00 0.00 0.00 179.25 180.76 1bwe s ILE 54 N -3.17 4.51 0.24 0.00 1.01 -1.26 -3.10 121.20 119.44 1bwe s ILE 54 Ca 0.08 1.81 0.01 0.00 0.00 0.00 0.00 60.65 62.55 1bwe s ILE 54 Cb 0.09 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 1bwe s ILE 54 CO 0.65 0.00 0.12 -0.31 0.00 0.00 0.00 174.94 175.39 1bwe s TYR 55 N 2.09 1.42 0.50 3.97 2.02 -0.44 -4.88 117.35 122.03 1bwe s TYR 55 Ca 0.52 -1.27 -0.22 0.00 -0.37 0.00 0.00 57.07 55.73 1bwe s TYR 55 Cb -0.22 -0.78 -0.06 0.00 -0.40 0.00 0.00 41.96 40.50 1bwe s TYR 55 CO 0.20 -0.46 1.25 -1.58 -1.57 0.00 0.00 175.55 173.39 1bwe s HIS 56 N -3.88 2.61 0.27 2.71 2.46 -1.26 -0.38 115.29 117.82 1bwe s HIS 56 Ca 0.38 1.46 -0.01 0.00 0.47 0.00 0.00 55.06 57.37 1bwe s HIS 56 Cb 0.07 -3.57 0.60 0.00 -0.13 0.00 0.00 32.58 29.55 1bwe s HIS 56 CO 0.14 -2.14 1.69 0.93 -2.47 0.00 0.00 174.74 172.89 1bwe h GLU 57 N 1.79 0.34 -0.99 2.88 5.08 -1.70 0.22 114.58 122.20 1bwe h GLU 57 Ca -0.50 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 57.90 1bwe h GLU 57 Cb 1.27 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.38 1bwe h GLU 57 CO 0.59 0.22 0.64 0.22 -1.00 0.00 0.00 179.01 179.68 1bwe h ASP 58 N 0.35 1.02 0.64 1.42 3.58 -1.91 -3.15 116.42 118.37 1bwe h ASP 58 Ca 0.49 0.01 -0.25 0.00 0.42 0.00 0.00 57.03 57.70 1bwe h ASP 58 Cb 0.88 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.72 1bwe h ASP 58 CO -0.52 0.65 -1.13 -0.26 -2.88 0.00 0.00 179.24 175.11 1bwe h PHE 59 N 1.16 0.42 -2.16 0.28 -1.00 -0.96 -3.45 116.94 111.23 1bwe h PHE 59 Ca 0.43 -0.28 -0.60 0.00 2.81 0.00 0.00 57.97 60.32 1bwe h PHE 59 Cb 0.16 -0.02 0.04 0.00 3.61 0.00 0.00 35.95 39.74 1bwe h PHE 59 CO -0.01 1.19 0.89 0.28 -1.61 0.00 0.00 178.31 179.05 1bwe n VAL 60 N -3.55 0.20 -1.64 -0.55 0.31 -0.56 -4.91 118.33 107.63 1bwe n VAL 60 Ca -0.06 -0.04 -0.40 0.00 -0.01 0.00 0.00 64.34 63.83 1bwe n VAL 60 Cb 0.96 -1.62 0.03 0.00 -0.91 0.00 0.00 33.84 32.29 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 4.50 1.37 -0.33 5.55 -0.02 -1.26 -4.44 135.00 140.37 1bwe n PRO 61 Ca 0.19 0.50 0.16 0.00 -2.02 0.00 0.00 63.50 62.33 1bwe n PRO 61 Cb 0.29 -2.20 0.32 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 1.33 0.03 -0.87 -0.52 3.07 -1.94 0.51 114.58 116.19 1bwe h GLU 62 Ca -0.47 -0.00 0.23 0.00 -0.50 0.00 0.00 59.36 58.62 1bwe h GLU 62 Cb 1.33 -0.01 -0.14 0.00 -0.84 0.00 0.00 28.75 29.10 1bwe h GLU 62 CO 0.56 0.02 0.22 0.93 -1.40 0.00 0.00 179.01 179.33 1bwe h GLU 63 N 0.03 0.19 -0.03 2.33 3.07 -2.03 -1.54 114.58 116.60 1bwe h GLU 63 Ca 0.62 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 1bwe h GLU 63 Cb 1.32 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1bwe h GLU 63 CO -0.88 0.13 0.00 0.91 -1.40 0.00 0.00 179.01 177.77 1bwe n TRP 64 N -5.24 0.01 0.32 4.33 8.01 0.15 -4.11 117.44 120.91 1bwe n TRP 64 Ca 0.21 -0.00 0.20 0.00 -1.31 0.00 0.00 57.50 56.60 1bwe n TRP 64 Cb 0.67 -0.00 1.11 0.00 -2.01 0.00 0.00 31.31 31.08 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 4.41 0.00 -0.53 -0.99 1.79 0.32 0.11 116.57 121.69 1bwe h LYS 65 Ca 0.00 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.58 1bwe h LYS 65 Cb 0.94 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.49 1bwe h LYS 65 CO 0.00 0.00 -0.05 0.66 -1.08 0.00 0.00 179.45 178.98 1bwe h SER 66 N 0.00 -0.33 -0.49 0.86 4.64 -1.71 -0.12 113.55 116.40 1bwe h SER 66 Ca 0.00 0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 1bwe h SER 66 Cb 0.08 0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 1bwe h SER 66 CO -0.00 -0.12 0.24 1.88 -0.87 0.00 0.00 176.83 177.96 1bwe h TYR 67 N 0.07 0.74 0.06 4.77 0.05 -1.08 -1.04 116.97 120.54 1bwe h TYR 67 Ca 0.26 -0.03 -0.00 0.00 0.05 0.00 0.00 58.73 59.02 1bwe h TYR 67 Cb 0.41 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.92 1bwe h TYR 67 CO -0.37 0.56 -0.03 0.82 -1.05 0.00 0.00 178.16 178.09 1bwe h ILE 68 N 0.74 0.99 -0.89 -2.88 5.03 -1.03 0.26 117.51 119.73 1bwe h ILE 68 Ca 0.18 -0.16 0.12 0.00 -0.12 0.00 0.00 64.86 64.87 1bwe h ILE 68 Cb 0.11 1.10 -0.08 0.00 -3.03 0.00 0.00 36.82 34.91 1bwe h ILE 68 CO -0.02 0.04 0.51 -0.61 -0.68 0.00 0.00 178.15 177.39 1bwe h GLN 69 N -0.15 0.79 -0.25 2.37 5.75 -0.72 0.28 115.11 123.17 1bwe h GLN 69 Ca -0.01 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 1bwe h GLN 69 Cb 0.13 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 1bwe h GLN 69 CO 0.01 0.52 -0.03 -0.22 -2.65 0.00 0.00 178.83 176.47 1bwe h LYS 70 N 0.81 0.47 -0.78 1.69 1.63 -0.47 -0.80 116.57 119.12 1bwe h LYS 70 Ca 0.44 -0.17 0.01 0.00 -0.85 0.00 0.00 60.65 60.08 1bwe h LYS 70 Cb 0.47 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.03 1bwe h LYS 70 CO -0.28 0.67 0.51 -0.91 -3.45 0.00 0.00 179.45 175.99 1bwe h ASN 71 N 0.23 0.91 0.30 4.20 2.35 -0.04 0.47 115.58 123.99 1bwe h ASN 71 Ca 0.07 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1bwe h ASN 71 Cb 0.47 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1bwe h ASN 71 CO 0.02 0.67 -0.31 -0.09 -1.65 0.00 0.00 177.43 176.07 1bwe h ARG 72 N 1.06 -0.62 -0.07 0.81 9.65 -0.27 -3.29 114.38 121.66 1bwe h ARG 72 Ca 0.29 0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.20 1bwe h ARG 72 Cb -0.11 0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1bwe h ARG 72 CO -0.06 -0.41 0.00 0.22 2.80 0.00 0.00 179.97 182.52 1bwe h ASP 73 N -0.64 0.11 -0.58 -3.80 3.58 -0.99 -3.35 116.42 110.74 1bwe h ASP 73 Ca -0.01 -0.29 0.13 0.00 0.42 0.00 0.00 57.03 57.28 1bwe h ASP 73 Cb 0.59 -0.03 -0.11 0.00 1.72 0.00 0.00 39.33 41.50 1bwe h ASP 73 CO -0.07 0.37 -0.10 0.49 -2.88 0.00 0.00 179.24 177.06 1bwe n PHE 74 N -4.87 0.26 0.11 0.28 3.72 0.14 -0.65 117.46 116.45 1bwe n PHE 74 Ca -0.07 0.71 0.02 0.00 -0.05 0.00 0.00 57.45 58.06 1bwe n PHE 74 Cb 0.18 -0.87 0.02 0.00 -0.94 0.00 0.00 39.48 37.87 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 -4.88 0.02 0.02 1.38 3.72 -1.26 -4.76 117.46 111.71 1bwe n PHE 75 Ca 0.11 -0.09 -0.22 0.00 -0.05 0.00 0.00 57.45 57.20 1bwe n PHE 75 Cb 0.34 -0.01 -0.14 0.00 -0.94 0.00 0.00 39.48 38.73 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 0.67 0.30 0.00 -1.08 6.56 -1.01 -3.54 116.57 118.47 1bwe h LYS 76 Ca 0.00 -0.51 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 1bwe h LYS 76 Cb 0.22 0.19 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 1bwe h LYS 76 CO 0.00 1.24 0.00 0.36 -2.06 0.00 0.00 179.45 178.99