#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 3.05 -0.00 0.00 1.51 -1.26 -0.82 117.35 119.82 1bwe s TYR 2 Ca 0.00 0.06 0.01 0.00 -1.01 0.00 0.00 57.07 56.12 1bwe s TYR 2 Cb 0.00 -1.65 -0.00 0.00 -0.11 0.00 0.00 41.96 40.20 1bwe s TYR 2 CO 0.00 0.45 -0.03 0.08 -1.11 0.00 0.00 175.55 174.95 1bwe s VAL 3 N -1.10 0.20 0.17 0.71 1.01 0.56 -4.59 120.40 117.36 1bwe s VAL 3 Ca 0.20 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 1bwe s VAL 3 Cb -0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1bwe s VAL 3 CO 0.11 0.03 1.49 0.16 0.00 0.00 0.00 175.10 176.89 1bwe h ILE 4 N 5.06 1.29 0.00 2.22 -2.65 -1.88 -0.87 117.51 120.69 1bwe h ILE 4 Ca -0.26 -1.68 0.00 0.00 1.03 0.00 0.00 64.86 63.95 1bwe h ILE 4 Cb 1.20 1.60 0.00 0.00 -2.05 0.00 0.00 36.82 37.57 1bwe h ILE 4 CO 0.50 0.54 0.00 0.35 0.03 0.00 0.00 178.15 179.57 1bwe n THR 5 N -4.01 0.00 -0.02 0.16 -2.24 -1.26 -4.25 114.28 102.67 1bwe n THR 5 Ca -0.03 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.70 1bwe n THR 5 Cb 0.58 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.79 1bwe n THR 5 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1bwe n GLU 6 N 0.00 0.12 -2.10 -0.78 2.13 -1.26 -4.81 120.64 113.94 1bwe n GLU 6 Ca 0.00 0.05 -0.37 0.00 0.66 0.00 0.00 57.16 57.50 1bwe n GLU 6 Cb 0.00 -0.70 -0.03 0.00 0.27 0.00 0.00 31.44 30.98 1bwe n GLU 6 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1bwe n PRO 7 N -3.37 2.32 0.00 5.31 -0.02 -1.26 -1.46 135.00 136.52 1bwe n PRO 7 Ca -0.09 -2.71 0.00 0.00 -2.02 0.00 0.00 63.50 58.68 1bwe n PRO 7 Cb 0.46 -3.49 0.00 0.00 -0.02 0.00 0.00 33.50 30.44 1bwe n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bwe n ILE 9 N -0.80 2.18 -2.34 0.00 -0.00 -0.54 -3.07 119.36 114.79 1bwe n ILE 9 Ca 0.00 -0.50 -0.07 0.00 -0.00 0.00 0.00 62.75 62.18 1bwe n ILE 9 Cb 0.00 -0.90 0.01 0.00 -0.00 0.00 0.00 39.64 38.74 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 1.41 0.21 3.15 7.39 0.00 -1.10 -5.02 105.19 111.22 1bwe n GLY 10 Ca 0.10 -0.54 0.04 0.00 0.00 0.00 0.00 46.02 45.63 1bwe n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwe s THR 11 N -2.56 -0.93 0.31 2.61 2.01 0.42 -5.05 115.64 112.45 1bwe s THR 11 Ca 0.06 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.11 1bwe s THR 11 Cb -0.02 -0.95 0.30 0.00 0.01 0.00 0.00 72.50 71.84 1bwe s THR 11 CO 0.07 0.00 1.82 0.11 -0.69 0.00 0.00 174.62 175.93 1bwe h LYS 12 N 7.95 0.80 0.00 4.92 1.57 -1.81 -3.36 116.57 126.64 1bwe h LYS 12 Ca -0.08 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1bwe h LYS 12 Cb 1.18 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1bwe h LYS 12 CO 0.16 0.53 0.00 0.00 -0.57 0.00 0.00 179.45 179.56 1bwe n ALA 14 N 0.00 -1.45 -0.14 0.00 0.00 -1.26 -4.93 120.51 112.73 1bwe n ALA 14 Ca 0.00 0.20 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 1bwe n ALA 14 Cb 0.00 -4.33 -0.10 0.00 0.00 0.00 0.00 19.45 15.02 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 -2.95 1.91 -3.63 0.00 7.64 -1.26 -4.67 113.62 110.66 1bwe n SER 15 Ca -0.04 0.33 -0.41 0.00 1.01 0.00 0.00 58.87 59.76 1bwe n SER 15 Cb 0.57 -0.80 -0.03 0.00 -1.01 0.00 0.00 64.21 62.94 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 3.99 0.00 -1.72 0.00 0.11 -1.26 -4.84 120.40 116.68 1bwe s VAL 17 Ca 0.52 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.57 1bwe s VAL 17 Cb 0.14 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 1bwe s VAL 17 CO 0.01 0.00 0.00 1.21 -3.33 0.00 0.00 175.10 172.99 1bwe n GLU 18 N 0.67 -1.74 0.00 1.54 2.13 -1.26 -4.75 120.64 117.23 1bwe n GLU 18 Ca -0.15 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.65 1bwe n GLU 18 Cb 0.58 -5.63 0.00 0.00 0.27 0.00 0.00 31.44 26.66 1bwe n GLU 18 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1bwe n VAL 19 N -3.90 0.00 -1.83 6.31 3.14 -1.26 -5.09 118.33 115.69 1bwe n VAL 19 Ca -0.24 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.73 1bwe n VAL 19 Cb 0.68 -0.02 -0.03 0.00 -1.06 0.00 0.00 33.84 33.41 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 6.22 0.26 0.00 0.00 0.11 -1.98 -0.44 132.00 136.17 1bwe h PRO 21 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1bwe h PRO 21 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1bwe h PRO 21 CO 0.89 0.17 -0.04 1.33 -0.21 0.00 0.00 178.00 180.15 1bwe n VAL 22 N -4.70 1.69 -4.42 3.15 0.24 -1.26 -5.02 118.33 108.01 1bwe n VAL 22 Ca 0.30 -2.02 -0.37 0.00 -2.04 0.00 0.00 64.34 60.22 1bwe n VAL 22 Cb 1.09 -0.14 -0.08 0.00 -1.47 0.00 0.00 33.84 33.24 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 -1.27 -0.77 -2.29 -1.34 2.03 -0.18 -4.82 116.55 107.91 1bwe n ASP 23 Ca 0.14 -1.24 -0.24 0.00 0.52 0.00 0.00 54.79 53.97 1bwe n ASP 23 Cb 0.63 -1.71 -0.03 0.00 -0.72 0.00 0.00 41.12 39.29 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 -2.22 1.24 0.22 0.00 -5.25 -1.26 -0.59 121.20 113.34 1bwe s ILE 25 Ca 0.51 -0.49 0.02 0.00 -0.99 0.00 0.00 60.65 59.70 1bwe s ILE 25 Cb 0.34 -1.16 -0.05 0.00 2.95 0.00 0.00 42.46 44.54 1bwe s ILE 25 CO -0.15 0.39 0.03 -1.00 -1.79 0.00 0.00 174.94 172.43 1bwe s HIS 26 N 1.05 1.41 -0.08 1.37 3.76 0.24 -4.94 115.29 118.09 1bwe s HIS 26 Ca -0.07 -1.05 -0.08 0.00 -0.15 0.00 0.00 55.06 53.71 1bwe s HIS 26 Cb -0.15 -0.81 -0.04 0.00 1.11 0.00 0.00 32.58 32.69 1bwe s HIS 26 CO -0.01 -0.21 0.21 -1.21 -0.85 0.00 0.00 174.74 172.66 1bwe s GLU 27 N -3.94 3.54 -0.15 1.40 2.02 -1.26 0.51 118.70 120.82 1bwe s GLU 27 Ca 0.30 -0.03 -0.26 0.00 0.02 0.00 0.00 54.97 55.00 1bwe s GLU 27 Cb 0.07 -3.18 -0.23 0.00 0.10 0.00 0.00 34.13 30.88 1bwe s GLU 27 CO 0.08 0.75 0.63 0.78 0.02 0.00 0.00 175.26 177.51 1bwe h GLY 28 N 4.77 0.00 0.00 -1.39 0.00 -1.31 -3.46 103.07 101.68 1bwe h GLY 28 Ca -0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1bwe h GLY 28 CO 0.60 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.93 1bwe n GLU 29 N -4.59 0.00 -0.05 4.80 4.07 -1.26 -4.95 120.64 118.67 1bwe n GLU 29 Ca -0.13 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 56.98 1bwe n GLU 29 Cb 0.49 0.00 0.04 0.00 -0.06 0.00 0.00 31.44 31.91 1bwe n GLU 29 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1bwe n ASP 30 N 0.00 0.49 -3.54 4.31 5.75 -1.26 -4.66 116.55 117.63 1bwe n ASP 30 Ca 0.00 -2.00 -0.11 0.00 -0.01 0.00 0.00 54.79 52.67 1bwe n ASP 30 Cb 0.00 -0.07 -0.04 0.00 -1.03 0.00 0.00 41.12 39.98 1bwe n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bwe s GLN 31 N -1.87 0.74 0.62 0.11 -2.07 -1.26 -0.44 119.66 115.50 1bwe s GLN 31 Ca 0.06 0.02 -0.09 0.00 -1.82 0.00 0.00 55.36 53.52 1bwe s GLN 31 Cb 0.03 0.35 -0.02 0.00 -1.09 0.00 0.00 33.01 32.28 1bwe s GLN 31 CO 0.04 -0.27 0.99 0.71 -1.32 0.00 0.00 175.29 175.44 1bwe s TYR 32 N -1.78 3.48 -0.17 9.60 1.51 -1.26 -0.91 117.35 127.81 1bwe s TYR 32 Ca -0.01 1.05 -0.03 0.00 -1.01 0.00 0.00 57.07 57.07 1bwe s TYR 32 Cb -0.01 -2.76 0.05 0.00 -0.11 0.00 0.00 41.96 39.14 1bwe s TYR 32 CO -0.01 -0.78 0.03 0.71 -1.11 0.00 0.00 175.55 174.39 1bwe s TYR 33 N -3.13 0.99 0.23 2.71 1.51 0.18 -4.73 117.35 115.11 1bwe s TYR 33 Ca 0.54 -0.75 -0.30 0.00 -1.01 0.00 0.00 57.07 55.56 1bwe s TYR 33 Cb -0.11 -1.00 -0.09 0.00 -0.11 0.00 0.00 41.96 40.66 1bwe s TYR 33 CO 0.51 -0.56 1.05 0.42 -1.11 0.00 0.00 175.55 175.85 1bwe s ILE 34 N 1.87 3.80 -0.51 2.71 1.01 -1.26 -0.60 121.20 128.22 1bwe s ILE 34 Ca 0.00 1.72 -0.29 0.00 0.00 0.00 0.00 60.65 62.09 1bwe s ILE 34 Cb -0.16 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.24 1bwe s ILE 34 CO -0.07 0.37 1.23 -0.62 0.00 0.00 0.00 174.94 175.84 1bwe s ASP 35 N -0.70 6.47 0.00 3.58 -1.08 0.25 -4.77 116.67 120.42 1bwe s ASP 35 Ca 0.45 0.37 0.26 0.00 -0.52 0.00 0.00 52.55 53.11 1bwe s ASP 35 Cb -0.29 -2.55 1.41 0.00 -1.46 0.00 0.00 42.92 40.03 1bwe s ASP 35 CO 0.36 -1.41 1.89 -0.81 0.52 0.00 0.00 175.17 175.72 1bwe n PRO 36 N 8.18 0.56 -0.03 4.34 -0.04 -1.26 -0.74 135.00 146.00 1bwe n PRO 36 Ca 0.11 0.03 -0.19 0.00 -0.04 0.00 0.00 63.50 63.42 1bwe n PRO 36 Cb 0.49 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.31 1bwe n PRO 36 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bwe n ASP 37 N -1.17 1.85 0.07 3.54 2.03 -1.26 -4.51 116.55 117.10 1bwe n ASP 37 Ca 0.15 0.15 -0.09 0.00 0.52 0.00 0.00 54.79 55.52 1bwe n ASP 37 Cb 0.16 -0.58 -0.12 0.00 -0.72 0.00 0.00 41.12 39.85 1bwe n ASP 37 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1bwe h VAL 38 N 0.04 1.66 -2.56 5.18 2.07 -1.85 -3.45 116.25 117.35 1bwe h VAL 38 Ca -0.45 -3.32 -0.56 0.00 0.82 0.00 0.00 66.70 63.19 1bwe h VAL 38 Cb 2.01 2.86 0.06 0.00 -1.52 0.00 0.00 31.29 34.71 1bwe h VAL 38 CO 0.05 0.95 0.85 0.00 0.02 0.00 0.00 177.57 179.44 1bwe n ILE 40 N 3.26 3.30 -3.52 0.00 -5.35 -1.26 -4.67 119.36 111.12 1bwe n ILE 40 Ca 0.15 -2.91 -0.26 0.00 -0.27 0.00 0.00 62.75 59.47 1bwe n ILE 40 Cb 0.32 -0.95 0.01 0.00 -1.74 0.00 0.00 39.64 37.28 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 -0.95 -4.46 0.19 7.28 8.00 -1.26 -4.87 116.55 120.48 1bwe n ASP 41 Ca 0.57 -0.52 0.10 0.00 0.71 0.00 0.00 54.79 55.65 1bwe n ASP 41 Cb 0.94 -3.62 0.12 0.00 -0.02 0.00 0.00 41.12 38.54 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 1.13 0.63 5.00 0.00 0.00 -1.26 -4.96 105.19 105.73 1bwe n GLY 43 Ca 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 7.98 0.00 -0.23 4.61 0.00 -1.26 -4.47 120.51 127.14 1bwe n ALA 44 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1bwe n ALA 44 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.77 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 0.84 0.73 -0.63 0.00 9.09 -1.87 -0.80 114.58 121.94 1bwe h GLU 46 Ca 0.35 -0.24 -0.03 0.00 0.05 0.00 0.00 59.36 59.50 1bwe h GLU 46 Cb 0.28 -0.06 -0.03 0.00 -1.65 0.00 0.00 28.75 27.29 1bwe h GLU 46 CO -0.13 0.82 0.29 0.00 0.05 0.00 0.00 179.01 180.04 1bwe h ALA 47 N 0.88 1.33 -0.53 1.06 0.00 -1.71 -2.84 119.26 117.45 1bwe h ALA 47 Ca 0.11 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1bwe h ALA 47 Cb 0.50 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1bwe h ALA 47 CO 0.02 0.52 -0.12 0.28 0.00 0.00 0.00 179.25 179.95 1bwe h VAL 48 N 0.89 1.27 -2.06 0.00 2.07 -0.44 -3.41 116.25 114.57 1bwe h VAL 48 Ca 0.22 -1.28 -0.58 0.00 0.82 0.00 0.00 66.70 65.88 1bwe h VAL 48 Cb 0.11 1.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1bwe h VAL 48 CO -0.03 0.45 1.32 0.00 0.02 0.00 0.00 177.57 179.33 1bwe n PRO 50 N 7.89 3.22 0.00 0.00 -0.04 -1.26 -0.66 135.00 144.14 1bwe n PRO 50 Ca 0.26 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.63 1bwe n PRO 50 Cb 0.39 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 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 3.95 0.00 -3.43 0.52 3.14 -1.26 -5.03 118.33 116.21 1bwe n VAL 51 Ca 0.68 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.88 1bwe n VAL 51 Cb 0.23 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 33.08 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 0.00 -3.59 0.12 6.55 7.64 0.17 -4.93 113.62 119.57 1bwe n SER 52 Ca 0.00 -0.71 -0.02 0.00 1.01 0.00 0.00 58.87 59.15 1bwe n SER 52 Cb 0.00 -4.86 0.07 0.00 -1.01 0.00 0.00 64.21 58.41 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 0.57 0.71 -2.36 -0.43 0.00 -1.83 -3.44 119.26 112.48 1bwe h ALA 53 Ca -0.60 -0.64 -0.54 0.00 0.00 0.00 0.00 54.91 53.13 1bwe h ALA 53 Cb 1.33 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.02 1bwe h ALA 53 CO 0.49 0.88 1.13 0.42 0.00 0.00 0.00 179.25 182.17 1bwe s ILE 54 N -3.19 3.16 0.33 0.00 1.01 -1.26 -4.80 121.20 116.45 1bwe s ILE 54 Ca 0.01 0.33 0.10 0.00 0.00 0.00 0.00 60.65 61.08 1bwe s ILE 54 Cb 0.11 -3.21 -0.06 0.00 0.01 0.00 0.00 42.46 39.31 1bwe s ILE 54 CO 0.77 -0.02 -0.06 -0.31 0.00 0.00 0.00 174.94 175.31 1bwe s TYR 55 N 3.82 2.45 0.46 3.97 2.02 -0.33 -4.79 117.35 124.96 1bwe s TYR 55 Ca 0.80 -0.44 -0.22 0.00 -0.37 0.00 0.00 57.07 56.83 1bwe s TYR 55 Cb -0.39 -1.37 -0.08 0.00 -0.40 0.00 0.00 41.96 39.72 1bwe s TYR 55 CO 0.35 0.56 1.12 -1.58 -1.57 0.00 0.00 175.55 174.43 1bwe s HIS 56 N -2.55 2.95 0.35 2.71 2.46 -1.26 -0.32 115.29 119.62 1bwe s HIS 56 Ca 0.33 1.57 0.05 0.00 0.47 0.00 0.00 55.06 57.48 1bwe s HIS 56 Cb 0.00 -3.27 0.71 0.00 -0.13 0.00 0.00 32.58 29.90 1bwe s HIS 56 CO 0.17 -1.22 1.93 1.05 -2.47 0.00 0.00 174.74 174.20 1bwe h GLU 57 N 1.97 0.78 -0.61 2.88 4.11 -1.32 0.32 114.58 122.71 1bwe h GLU 57 Ca -0.49 -0.05 0.11 0.00 0.07 0.00 0.00 59.36 59.00 1bwe h GLU 57 Cb 1.24 -0.18 -0.08 0.00 0.50 0.00 0.00 28.75 30.23 1bwe h GLU 57 CO 0.60 0.51 0.18 0.22 0.07 0.00 0.00 179.01 180.59 1bwe h ASP 58 N 0.80 0.10 0.32 3.06 3.58 -1.92 -3.10 116.42 119.26 1bwe h ASP 58 Ca 0.36 0.10 -0.24 0.00 0.42 0.00 0.00 57.03 57.67 1bwe h ASP 58 Cb 0.34 0.11 0.01 0.00 1.72 0.00 0.00 39.33 41.52 1bwe h ASP 58 CO -0.13 0.06 -1.01 -0.26 -2.88 0.00 0.00 179.24 175.02 1bwe h PHE 59 N 0.32 0.67 -1.89 0.28 0.04 -0.78 -3.45 116.94 112.14 1bwe h PHE 59 Ca 0.32 -0.38 -0.65 0.00 2.80 0.00 0.00 57.97 60.05 1bwe h PHE 59 Cb 0.45 -0.07 0.02 0.00 2.20 0.00 0.00 35.95 38.56 1bwe h PHE 59 CO -0.21 1.22 0.95 0.28 -0.60 0.00 0.00 178.31 179.95 1bwe n VAL 60 N -3.74 0.38 -1.65 -0.55 0.31 -0.44 -4.92 118.33 107.73 1bwe n VAL 60 Ca -0.08 -0.07 -0.39 0.00 -0.01 0.00 0.00 64.34 63.80 1bwe n VAL 60 Cb 0.87 -1.56 0.04 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 5.54 1.24 -0.34 5.55 -0.02 -1.26 -4.49 135.00 141.22 1bwe n PRO 61 Ca 0.23 0.46 0.13 0.00 -2.02 0.00 0.00 63.50 62.30 1bwe n PRO 61 Cb 0.24 -2.27 0.27 0.00 -0.02 0.00 0.00 33.50 31.72 1bwe n PRO 61 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1bwe n GLU 62 N -0.76 -0.08 -0.30 -0.52 4.71 -1.26 0.26 120.64 122.68 1bwe n GLU 62 Ca 0.12 1.48 0.14 0.00 -0.01 0.00 0.00 57.16 58.90 1bwe n GLU 62 Cb 0.45 -2.34 0.32 0.00 -1.01 0.00 0.00 31.44 28.86 1bwe n GLU 62 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1bwe h GLU 63 N 0.00 0.26 -0.02 3.49 3.07 -2.03 -1.70 114.58 117.65 1bwe h GLU 63 Ca 0.58 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.42 1bwe h GLU 63 Cb 1.16 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1bwe h GLU 63 CO -0.94 0.18 -0.15 0.91 -1.40 0.00 0.00 179.01 177.61 1bwe n TRP 64 N -5.16 0.00 0.08 4.33 8.01 0.14 -4.18 117.44 120.66 1bwe n TRP 64 Ca 0.23 0.00 0.18 0.00 -1.31 0.00 0.00 57.50 56.60 1bwe n TRP 64 Cb 0.72 0.00 0.72 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 3.50 0.00 -0.76 -0.99 1.79 0.24 0.19 116.57 120.54 1bwe h LYS 65 Ca 0.00 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.64 1bwe h LYS 65 Cb 0.82 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.35 1bwe h LYS 65 CO 0.00 0.00 0.19 0.66 -1.08 0.00 0.00 179.45 179.22 1bwe h SER 66 N 0.00 0.02 0.15 0.86 4.64 -1.73 -1.19 113.55 116.31 1bwe h SER 66 Ca 0.19 0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 61.57 1bwe h SER 66 Cb 0.81 0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1bwe h SER 66 CO -0.00 -0.05 -0.33 1.88 -0.87 0.00 0.00 176.83 177.46 1bwe h TYR 67 N 0.27 0.31 -0.18 4.77 0.05 -0.92 -0.13 116.97 121.15 1bwe h TYR 67 Ca 0.44 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 59.13 1bwe h TYR 67 Cb 0.76 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.42 1bwe h TYR 67 CO -0.26 0.58 0.06 0.82 -1.05 0.00 0.00 178.16 178.31 1bwe h ILE 68 N 0.24 1.18 -0.31 -2.88 2.04 -1.23 0.28 117.51 116.83 1bwe h ILE 68 Ca 0.03 -0.57 0.07 0.00 1.00 0.00 0.00 64.86 65.39 1bwe h ILE 68 Cb 0.71 1.23 -0.08 0.00 -0.74 0.00 0.00 36.82 37.93 1bwe h ILE 68 CO 0.05 0.18 -0.28 -0.61 0.00 0.00 0.00 178.15 177.49 1bwe h GLN 69 N 0.11 -0.24 -0.39 2.37 -0.00 -1.07 0.25 115.11 116.14 1bwe h GLN 69 Ca 0.06 0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.71 1bwe h GLN 69 Cb 0.22 0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.74 1bwe h GLN 69 CO -0.00 -0.16 0.21 -0.22 0.00 0.00 0.00 178.83 178.65 1bwe h LYS 70 N -0.25 0.55 -0.87 1.69 1.63 -0.61 0.12 116.57 118.84 1bwe h LYS 70 Ca 0.16 -0.07 0.03 0.00 -0.85 0.00 0.00 60.65 59.92 1bwe h LYS 70 Cb 0.50 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.97 1bwe h LYS 70 CO -0.46 0.46 0.56 -0.91 -3.45 0.00 0.00 179.45 175.65 1bwe h ASN 71 N 0.50 0.93 0.69 4.20 2.35 -0.11 0.15 115.58 124.29 1bwe h ASN 71 Ca 0.14 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1bwe h ASN 71 Cb 0.07 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.24 1bwe h ASN 71 CO -0.02 0.64 -0.33 -0.09 -1.65 0.00 0.00 177.43 175.97 1bwe h ARG 72 N 1.09 -0.89 -0.91 0.81 2.43 -0.34 -3.34 114.38 113.23 1bwe h ARG 72 Ca 0.35 0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.59 1bwe h ARG 72 Cb 0.01 0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 1bwe h ARG 72 CO -0.12 -0.57 0.60 0.22 -1.51 0.00 0.00 179.97 178.60 1bwe h ASP 73 N -1.07 1.03 -0.87 -3.80 3.58 -0.47 -0.76 116.42 114.07 1bwe h ASP 73 Ca -0.09 -0.02 0.10 0.00 0.42 0.00 0.00 57.03 57.43 1bwe h ASP 73 Cb 0.74 -0.25 -0.12 0.00 1.72 0.00 0.00 39.33 41.42 1bwe h ASP 73 CO 0.16 0.73 -0.44 0.49 -2.88 0.00 0.00 179.24 177.30 1bwe n PHE 74 N -4.41 -0.22 -0.08 0.28 3.01 0.50 -2.99 117.46 113.55 1bwe n PHE 74 Ca 0.11 1.08 -0.11 0.00 1.01 0.00 0.00 57.45 59.54 1bwe n PHE 74 Cb 0.04 -0.67 -0.15 0.00 -0.01 0.00 0.00 39.48 38.69 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 -5.16 0.27 -2.41 1.38 3.72 -0.95 -4.56 117.46 109.75 1bwe n PHE 75 Ca 0.05 0.09 -0.38 0.00 -0.05 0.00 0.00 57.45 57.16 1bwe n PHE 75 Cb 0.27 -1.05 -0.02 0.00 -0.94 0.00 0.00 39.48 37.74 1bwe n PHE 75 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1bwe s LYS 76 N -2.52 3.45 0.00 -1.08 3.01 -0.33 -5.16 119.74 117.11 1bwe s LYS 76 Ca -0.12 -1.61 0.00 0.00 -1.01 0.00 0.00 55.97 53.23 1bwe s LYS 76 Cb 0.07 -5.42 0.00 0.00 -1.01 0.00 0.00 37.83 31.47 1bwe s LYS 76 CO 0.80 -2.81 0.00 1.17 0.51 0.00 0.00 175.35 175.02