#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqx s TYR 2 N 0.00 3.48 0.01 0.00 1.51 -1.26 -0.81 117.35 120.28 1bqx s TYR 2 Ca 0.00 0.42 0.01 0.00 -1.01 0.00 0.00 57.07 56.49 1bqx s TYR 2 Cb 0.00 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 39.90 1bqx s TYR 2 CO 0.00 0.62 -0.03 0.08 -1.11 0.00 0.00 175.55 175.10 1bqx s VAL 3 N -0.80 0.21 1.14 0.71 1.01 0.53 -4.64 120.40 118.56 1bqx s VAL 3 Ca 0.13 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.53 1bqx s VAL 3 Cb -0.12 -0.25 0.26 0.00 0.00 0.00 0.00 36.38 36.28 1bqx s VAL 3 CO 0.03 -0.14 1.06 0.27 0.00 0.00 0.00 175.10 176.31 1bqx s ILE 4 N -0.58 1.84 0.00 2.22 -5.25 -1.26 -1.84 121.20 116.34 1bqx s ILE 4 Ca -0.05 0.00 0.00 0.00 -0.99 0.00 0.00 60.65 59.61 1bqx s ILE 4 Cb -0.04 -2.32 0.00 0.00 2.95 0.00 0.00 42.46 43.04 1bqx s ILE 4 CO -0.00 0.00 0.00 0.35 -1.79 0.00 0.00 174.94 173.50 1bqx n THR 5 N -4.69 0.00 0.02 8.37 -2.24 -1.26 -4.77 114.28 109.71 1bqx n THR 5 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1bqx n THR 5 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1bqx n THR 5 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1bqx n GLU 6 N 0.00 0.00 -0.04 -0.78 2.13 -1.26 -4.72 120.64 115.97 1bqx n GLU 6 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1bqx n GLU 6 Cb 0.00 -0.32 0.00 0.00 0.27 0.00 0.00 31.44 31.39 1bqx n GLU 6 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1bqx n PRO 7 N -2.99 0.52 -0.02 5.31 -0.05 -1.26 -1.81 135.00 134.69 1bqx n PRO 7 Ca 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 63.50 63.43 1bqx n PRO 7 Cb 0.24 -1.24 -0.03 0.00 -0.05 0.00 0.00 33.50 32.41 1bqx n PRO 7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1bqx n ILE 9 N -2.19 0.88 0.00 0.00 -0.00 -0.75 -4.86 119.36 112.44 1bqx n ILE 9 Ca -0.07 -0.22 0.00 0.00 -0.00 0.00 0.00 62.75 62.46 1bqx n ILE 9 Cb 0.64 -1.83 0.00 0.00 -0.00 0.00 0.00 39.64 38.46 1bqx n ILE 9 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1bqx n GLY 10 N 2.36 -1.79 0.59 7.39 0.00 -1.26 -5.09 105.19 107.39 1bqx n GLY 10 Ca 0.10 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.79 1bqx n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bqx n THR 11 N 0.00 0.00 -1.92 2.61 -1.04 -1.11 -3.39 114.28 109.43 1bqx n THR 11 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1bqx n THR 11 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 1bqx n THR 11 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1bqx n LYS 12 N 0.19 -0.59 -1.39 -2.82 3.00 0.83 -5.03 118.16 112.35 1bqx n LYS 12 Ca 0.00 0.17 -0.34 0.00 -0.00 0.00 0.00 58.31 58.15 1bqx n LYS 12 Cb 0.00 -2.50 0.09 0.00 0.00 0.00 0.00 35.03 32.62 1bqx n LYS 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bqx s ALA 14 N -2.14 -0.58 0.34 0.00 0.00 -1.26 -4.85 121.76 113.26 1bqx s ALA 14 Ca 0.72 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1bqx s ALA 14 Cb -0.27 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 20.89 1bqx s ALA 14 CO 0.47 -1.91 0.00 0.43 0.00 0.00 0.00 175.76 174.75 1bqx n SER 15 N 4.86 -2.68 -3.25 0.00 7.64 -1.26 -4.96 113.62 113.97 1bqx n SER 15 Ca 0.04 0.64 -0.28 0.00 1.01 0.00 0.00 58.87 60.29 1bqx n SER 15 Cb 0.46 2.61 -0.02 0.00 -1.01 0.00 0.00 64.21 66.25 1bqx n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bqx n VAL 17 N 4.22 0.00 0.53 0.00 0.31 -1.26 -4.84 118.33 117.28 1bqx n VAL 17 Ca 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.86 1bqx n VAL 17 Cb 0.18 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.11 1bqx n VAL 17 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1bqx n GLU 18 N 0.00 0.78 -0.02 5.55 0.00 -1.26 -2.89 120.64 122.80 1bqx n GLU 18 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.14 1bqx n GLU 18 Cb 0.00 -1.11 -0.02 0.00 0.00 0.00 0.00 31.44 30.31 1bqx n GLU 18 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1bqx n VAL 19 N 0.83 0.20 -1.99 3.84 3.14 -1.26 -5.04 118.33 118.04 1bqx n VAL 19 Ca 0.00 -0.11 -0.42 0.00 -2.96 0.00 0.00 64.34 60.85 1bqx n VAL 19 Cb 0.39 -0.84 -0.03 0.00 -1.06 0.00 0.00 33.84 32.31 1bqx n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1bqx h PRO 21 N 8.66 0.22 0.00 0.00 0.11 -1.96 -2.64 132.00 136.39 1bqx h PRO 21 Ca -0.41 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 1bqx h PRO 21 Cb 1.19 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.17 1bqx h PRO 21 CO 0.93 0.14 -0.52 0.28 -0.21 0.00 0.00 178.00 178.63 1bqx n VAL 22 N -4.70 1.50 -3.95 3.15 0.31 -1.26 -5.04 118.33 108.34 1bqx n VAL 22 Ca 0.32 -2.32 -0.36 0.00 -0.01 0.00 0.00 64.34 61.97 1bqx n VAL 22 Cb 1.17 0.08 0.01 0.00 -0.91 0.00 0.00 33.84 34.20 1bqx n VAL 22 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1bqx n ASP 23 N -0.75 -3.53 -1.15 4.52 2.03 -1.00 -4.87 116.55 111.81 1bqx n ASP 23 Ca 0.14 -1.05 -0.05 0.00 0.52 0.00 0.00 54.79 54.35 1bqx n ASP 23 Cb 0.78 -1.32 0.15 0.00 -0.72 0.00 0.00 41.12 40.00 1bqx n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bqx s ILE 25 N -3.70 3.51 0.05 0.00 -5.25 -1.26 -0.74 121.20 113.81 1bqx s ILE 25 Ca 0.43 -0.73 0.06 0.00 -0.99 0.00 0.00 60.65 59.42 1bqx s ILE 25 Cb 0.39 -2.75 -0.02 0.00 2.95 0.00 0.00 42.46 43.02 1bqx s ILE 25 CO -0.03 0.20 -0.16 -1.00 -1.79 0.00 0.00 174.94 172.16 1bqx s HIS 26 N 1.45 1.42 0.17 1.37 3.76 0.40 -4.90 115.29 118.96 1bqx s HIS 26 Ca 0.03 -0.38 -0.24 0.00 -0.15 0.00 0.00 55.06 54.32 1bqx s HIS 26 Cb -0.16 -0.83 -0.08 0.00 1.11 0.00 0.00 32.58 32.62 1bqx s HIS 26 CO -0.01 0.07 0.75 -1.21 -0.85 0.00 0.00 174.74 173.49 1bqx s GLU 27 N -1.32 4.49 -0.61 1.40 2.02 -1.26 0.86 118.70 124.27 1bqx s GLU 27 Ca 0.03 1.08 0.01 0.00 0.02 0.00 0.00 54.97 56.10 1bqx s GLU 27 Cb -0.09 -3.20 0.43 0.00 0.10 0.00 0.00 34.13 31.37 1bqx s GLU 27 CO 0.02 0.55 1.75 0.41 0.02 0.00 0.00 175.26 178.01 1bqx n GLY 28 N 1.47 5.92 5.00 -1.39 0.00 0.43 -4.90 105.19 111.72 1bqx n GLY 28 Ca -0.06 -2.48 0.00 0.00 0.00 0.00 0.00 46.02 43.49 1bqx n GLY 28 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bqx n GLU 29 N -0.74 0.00 0.09 1.61 0.00 -1.26 -4.10 120.64 116.24 1bqx n GLU 29 Ca 0.54 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.57 1bqx n GLU 29 Cb 0.62 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.99 1bqx n GLU 29 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1bqx h ASP 30 N 0.00 0.38 -5.11 4.31 1.82 -1.96 -3.38 116.42 112.49 1bqx h ASP 30 Ca 0.00 -0.35 -0.08 0.00 -0.39 0.00 0.00 57.03 56.20 1bqx h ASP 30 Cb 0.00 -0.12 -0.15 0.00 0.68 0.00 0.00 39.33 39.74 1bqx h ASP 30 CO 0.00 1.20 -0.28 0.00 -1.61 0.00 0.00 179.24 178.55 1bqx s GLN 31 N -2.98 0.87 0.58 0.28 -2.07 -1.26 -0.12 119.66 114.96 1bqx s GLN 31 Ca -0.04 -0.77 -0.15 0.00 -1.82 0.00 0.00 55.36 52.59 1bqx s GLN 31 Cb 0.09 0.36 -0.05 0.00 -1.09 0.00 0.00 33.01 32.32 1bqx s GLN 31 CO 0.86 -0.29 1.03 0.71 -1.32 0.00 0.00 175.29 176.28 1bqx s TYR 32 N -3.41 3.25 -0.08 9.60 1.51 -1.26 -0.43 117.35 126.54 1bqx s TYR 32 Ca 0.01 1.46 -0.01 0.00 -1.01 0.00 0.00 57.07 57.51 1bqx s TYR 32 Cb 0.02 -2.88 0.03 0.00 -0.11 0.00 0.00 41.96 39.03 1bqx s TYR 32 CO -0.09 -0.81 0.01 0.71 -1.11 0.00 0.00 175.55 174.26 1bqx s TYR 33 N -2.68 0.66 -0.07 2.71 2.02 0.25 -4.82 117.35 115.42 1bqx s TYR 33 Ca 0.60 -0.20 -0.21 0.00 -0.37 0.00 0.00 57.07 56.90 1bqx s TYR 33 Cb -0.13 -0.80 -0.04 0.00 -0.40 0.00 0.00 41.96 40.59 1bqx s TYR 33 CO 0.39 -0.34 0.60 0.42 -1.57 0.00 0.00 175.55 175.05 1bqx s ILE 34 N 1.97 5.07 -0.40 2.71 1.01 -1.26 -0.45 121.20 129.85 1bqx s ILE 34 Ca 0.05 1.23 -0.29 0.00 0.00 0.00 0.00 60.65 61.63 1bqx s ILE 34 Cb -0.13 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.42 1bqx s ILE 34 CO -0.05 0.31 1.34 -0.62 0.00 0.00 0.00 174.94 175.92 1bqx s ASP 35 N 0.52 6.46 0.46 3.58 -1.08 0.09 -4.77 116.67 121.92 1bqx s ASP 35 Ca 0.32 0.85 0.13 0.00 -0.52 0.00 0.00 52.55 53.33 1bqx s ASP 35 Cb -0.17 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 39.79 1bqx s ASP 35 CO 0.15 -1.33 2.05 1.55 0.52 0.00 0.00 175.17 178.11 1bqx h PRO 36 N 10.14 0.13 0.00 4.34 0.13 -1.82 0.30 132.00 145.22 1bqx h PRO 36 Ca -0.26 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1bqx h PRO 36 Cb 1.10 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1bqx h PRO 36 CO 1.08 0.18 0.00 -0.44 -0.23 0.00 0.00 178.00 178.59 1bqx h ASP 37 N 0.13 0.00 0.14 1.44 3.32 -1.92 -3.15 116.42 116.37 1bqx h ASP 37 Ca 0.03 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.73 1bqx h ASP 37 Cb 0.15 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.64 1bqx h ASP 37 CO 0.01 0.00 -2.19 0.52 -1.72 0.00 0.00 179.24 175.85 1bqx n VAL 38 N -2.93 1.52 -1.67 -1.35 0.31 -0.99 -4.96 118.33 108.26 1bqx n VAL 38 Ca 0.04 -0.75 -0.46 0.00 -0.01 0.00 0.00 64.34 63.16 1bqx n VAL 38 Cb 0.50 -0.98 -0.04 0.00 -0.91 0.00 0.00 33.84 32.41 1bqx n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bqx n ILE 40 N 3.76 2.80 -3.95 0.00 -5.35 -1.26 -4.74 119.36 110.62 1bqx n ILE 40 Ca 0.18 -1.73 -0.36 0.00 -0.27 0.00 0.00 62.75 60.57 1bqx n ILE 40 Cb 0.29 -1.23 0.01 0.00 -1.74 0.00 0.00 39.64 36.97 1bqx n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1bqx n ASP 41 N 0.09 -3.30 -1.52 7.28 8.00 -1.26 -5.01 116.55 120.84 1bqx n ASP 41 Ca 0.34 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1bqx n ASP 41 Cb 0.67 -2.46 0.00 0.00 -0.02 0.00 0.00 41.12 39.30 1bqx n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bqx n GLY 43 N 5.00 0.69 0.09 0.00 0.00 -1.26 -4.82 105.19 104.88 1bqx n GLY 43 Ca 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 1bqx n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqx h ALA 44 N 0.29 -0.07 -0.62 4.61 0.00 -1.98 -3.20 119.26 118.28 1bqx h ALA 44 Ca -0.09 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.67 1bqx h ALA 44 Cb 1.51 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.25 1bqx h ALA 44 CO 0.02 -0.10 0.20 0.00 0.00 0.00 0.00 179.25 179.36 1bqx h GLU 46 N 0.35 -0.26 -0.49 0.00 4.57 -1.86 0.25 114.58 117.15 1bqx h GLU 46 Ca 0.32 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.59 1bqx h GLU 46 Cb 0.45 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 1bqx h GLU 46 CO -0.36 -0.17 0.33 0.00 -1.18 0.00 0.00 179.01 177.63 1bqx h ALA 47 N 0.66 1.94 0.06 2.92 0.00 -1.20 -1.98 119.26 121.66 1bqx h ALA 47 Ca 0.06 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 1bqx h ALA 47 Cb 0.34 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1bqx h ALA 47 CO -0.17 -0.03 -1.08 0.28 0.00 0.00 0.00 179.25 178.25 1bqx h VAL 48 N 0.40 1.43 -2.15 0.00 2.07 -0.15 -3.44 116.25 114.42 1bqx h VAL 48 Ca 0.22 -2.67 -0.57 0.00 0.82 0.00 0.00 66.70 64.49 1bqx h VAL 48 Cb 0.33 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1bqx h VAL 48 CO -0.05 0.79 1.41 0.00 0.02 0.00 0.00 177.57 179.73 1bqx n PRO 50 N 8.40 0.76 0.00 0.00 -0.04 -1.26 -1.98 135.00 140.88 1bqx n PRO 50 Ca 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1bqx n PRO 50 Cb 0.44 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 1bqx n PRO 50 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1bqx n VAL 51 N 0.42 0.00 -2.44 0.52 0.24 -1.26 -5.12 118.33 110.69 1bqx n VAL 51 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.26 1bqx n VAL 51 Cb 0.30 -0.47 -0.04 0.00 -1.47 0.00 0.00 33.84 32.17 1bqx n VAL 51 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1bqx n SER 52 N -1.26 -1.47 0.00 -1.34 7.64 -0.84 -5.06 113.62 111.30 1bqx n SER 52 Ca 0.00 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1bqx n SER 52 Cb 0.25 -4.65 0.00 0.00 -1.01 0.00 0.00 64.21 58.79 1bqx n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bqx n ALA 53 N 1.33 0.04 -2.63 -0.43 0.00 -1.26 -5.08 120.51 112.48 1bqx n ALA 53 Ca -0.31 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.70 1bqx n ALA 53 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 1bqx n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bqx s ILE 54 N -0.14 4.49 0.32 0.00 1.01 -1.26 -4.45 121.20 121.17 1bqx s ILE 54 Ca 0.00 1.64 0.06 0.00 0.00 0.00 0.00 60.65 62.35 1bqx s ILE 54 Cb 0.00 -4.43 -0.06 0.00 0.01 0.00 0.00 42.46 37.98 1bqx s ILE 54 CO 0.00 -0.54 -0.02 -0.31 0.00 0.00 0.00 174.94 174.08 1bqx s TYR 55 N 3.71 2.11 0.49 3.97 2.02 -0.77 -4.74 117.35 124.14 1bqx s TYR 55 Ca 0.45 -0.75 -0.24 0.00 -0.37 0.00 0.00 57.07 56.16 1bqx s TYR 55 Cb -0.12 -1.31 -0.07 0.00 -0.40 0.00 0.00 41.96 40.06 1bqx s TYR 55 CO 0.17 0.27 1.41 1.58 -1.57 0.00 0.00 175.55 177.41 1bqx n HIS 56 N -0.70 2.56 -0.35 2.71 -0.00 -1.26 -0.35 115.22 117.83 1bqx n HIS 56 Ca -0.04 0.44 0.12 0.00 0.46 0.00 0.00 57.72 58.69 1bqx n HIS 56 Cb 0.65 -2.43 0.30 0.00 -0.12 0.00 0.00 29.99 28.40 1bqx n HIS 56 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 1bqx h GLU 57 N 1.98 0.74 -0.93 1.57 4.11 -1.31 0.36 114.58 121.10 1bqx h GLU 57 Ca -0.51 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.88 1bqx h GLU 57 Cb 1.28 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 1bqx h GLU 57 CO 0.60 0.49 0.59 0.22 0.07 0.00 0.00 179.01 180.97 1bqx h ASP 58 N 0.77 1.10 0.53 3.06 3.58 -1.90 -3.24 116.42 120.32 1bqx h ASP 58 Ca 0.56 -0.05 -0.25 0.00 0.42 0.00 0.00 57.03 57.71 1bqx h ASP 58 Cb 0.84 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1bqx h ASP 58 CO -0.37 0.82 -1.11 -0.26 -2.88 0.00 0.00 179.24 175.44 1bqx h PHE 59 N 1.27 0.52 -1.98 0.28 -1.00 -0.70 -3.44 116.94 111.88 1bqx h PHE 59 Ca 0.34 -0.34 -0.63 0.00 2.81 0.00 0.00 57.97 60.15 1bqx h PHE 59 Cb -0.10 -0.04 0.03 0.00 3.61 0.00 0.00 35.95 39.46 1bqx h PHE 59 CO -0.00 1.21 0.89 0.28 -1.61 0.00 0.00 178.31 179.08 1bqx n VAL 60 N -3.62 0.29 -1.62 -0.55 0.31 -0.18 -4.90 118.33 108.06 1bqx n VAL 60 Ca -0.07 -0.05 -0.40 0.00 -0.01 0.00 0.00 64.34 63.81 1bqx n VAL 60 Cb 0.94 -1.53 0.03 0.00 -0.91 0.00 0.00 33.84 32.37 1bqx n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1bqx n PRO 61 N 4.92 1.23 -0.33 5.55 -0.02 -1.26 -4.39 135.00 140.70 1bqx n PRO 61 Ca 0.21 0.45 0.17 0.00 -2.02 0.00 0.00 63.50 62.31 1bqx n PRO 61 Cb 0.25 -2.14 0.34 0.00 -0.02 0.00 0.00 33.50 31.94 1bqx n PRO 61 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1bqx h GLU 62 N 1.15 0.04 -0.85 -0.52 3.07 -1.93 0.56 114.58 116.10 1bqx h GLU 62 Ca -0.47 -0.00 0.21 0.00 -0.50 0.00 0.00 59.36 58.60 1bqx h GLU 62 Cb 1.34 -0.01 -0.12 0.00 -0.84 0.00 0.00 28.75 29.12 1bqx h GLU 62 CO 0.54 0.02 0.30 0.93 -1.40 0.00 0.00 179.01 179.41 1bqx h GLU 63 N 0.04 0.32 -0.02 2.33 3.07 -2.03 -2.19 114.58 116.11 1bqx h GLU 63 Ca 0.63 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 1bqx h GLU 63 Cb 1.37 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 1bqx h GLU 63 CO -0.85 0.21 -0.45 0.91 -1.40 0.00 0.00 179.01 177.43 1bqx n TRP 64 N -5.11 0.00 0.05 4.33 8.01 0.16 -4.06 117.44 120.82 1bqx n TRP 64 Ca 0.20 0.00 0.19 0.00 -1.31 0.00 0.00 57.50 56.58 1bqx n TRP 64 Cb 0.60 0.00 0.71 0.00 -2.01 0.00 0.00 31.31 30.61 1bqx n TRP 64 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.69 177.55 1bqx h LYS 65 N 2.56 0.00 -0.88 -0.99 1.79 0.18 0.20 116.57 119.43 1bqx h LYS 65 Ca 0.00 0.00 0.24 0.00 -2.18 0.00 0.00 60.65 58.71 1bqx h LYS 65 Cb 0.77 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.27 1bqx h LYS 65 CO 0.00 0.00 0.18 0.77 -1.08 0.00 0.00 179.45 179.32 1bqx h SER 66 N 0.00 -0.12 0.04 0.86 0.02 -1.71 0.20 113.55 112.85 1bqx h SER 66 Ca 0.21 0.21 -0.09 0.00 -0.84 0.00 0.00 61.79 61.28 1bqx h SER 66 Cb 0.91 0.31 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1bqx h SER 66 CO -0.00 -0.20 -0.28 1.88 -1.14 0.00 0.00 176.83 177.09 1bqx h TYR 67 N 0.15 0.41 -0.23 3.45 0.05 -0.89 -0.16 116.97 119.75 1bqx h TYR 67 Ca 0.55 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 59.23 1bqx h TYR 67 Cb 1.11 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.74 1bqx h TYR 67 CO -0.32 0.61 0.08 0.82 -1.05 0.00 0.00 178.16 178.31 1bqx h ILE 68 N 0.33 1.18 -0.46 -2.88 5.03 -0.67 0.26 117.51 120.30 1bqx h ILE 68 Ca 0.05 -0.57 0.06 0.00 -0.12 0.00 0.00 64.86 64.28 1bqx h ILE 68 Cb 0.66 1.12 -0.05 0.00 -3.03 0.00 0.00 36.82 35.52 1bqx h ILE 68 CO 0.05 0.19 0.14 -0.61 -0.68 0.00 0.00 178.15 177.24 1bqx h GLN 69 N 0.22 0.29 -0.36 2.37 5.75 -0.95 0.36 115.11 122.79 1bqx h GLN 69 Ca 0.08 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 1bqx h GLN 69 Cb 0.21 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 1bqx h GLN 69 CO -0.00 0.19 0.14 -0.22 -2.65 0.00 0.00 178.83 176.29 1bqx h LYS 70 N 0.30 0.54 -0.71 1.69 1.63 -0.49 -0.13 116.57 119.40 1bqx h LYS 70 Ca 0.22 -0.10 0.02 0.00 -0.85 0.00 0.00 60.65 59.94 1bqx h LYS 70 Cb 0.24 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.74 1bqx h LYS 70 CO -0.24 0.53 0.45 -0.91 -3.45 0.00 0.00 179.45 175.83 1bqx h ASN 71 N 0.43 0.76 0.59 4.20 2.35 -0.22 0.12 115.58 123.81 1bqx h ASN 71 Ca 0.12 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1bqx h ASN 71 Cb 0.20 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1bqx h ASN 71 CO -0.01 0.53 -0.48 -0.09 -1.65 0.00 0.00 177.43 175.73 1bqx h ARG 72 N 0.90 -1.01 -0.86 0.81 2.43 -0.64 -3.27 114.38 112.73 1bqx h ARG 72 Ca 0.28 0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.54 1bqx h ARG 72 Cb -0.02 0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 1bqx h ARG 72 CO -0.09 -0.67 0.56 0.22 -1.51 0.00 0.00 179.97 178.48 1bqx h ASP 73 N -1.05 0.95 -0.90 -3.80 3.58 -0.76 -2.49 116.42 111.95 1bqx h ASP 73 Ca -0.07 -0.01 0.16 0.00 0.42 0.00 0.00 57.03 57.52 1bqx h ASP 73 Cb 0.88 -0.22 -0.16 0.00 1.72 0.00 0.00 39.33 41.55 1bqx h ASP 73 CO -0.00 0.67 -0.29 0.49 -2.88 0.00 0.00 179.24 177.22 1bqx n PHE 74 N -4.52 0.17 -0.02 0.28 3.72 0.38 -2.33 117.46 115.14 1bqx n PHE 74 Ca 0.10 1.10 0.07 0.00 -0.05 0.00 0.00 57.45 58.67 1bqx n PHE 74 Cb 0.06 -0.92 -0.14 0.00 -0.94 0.00 0.00 39.48 37.54 1bqx n PHE 74 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1bqx n PHE 75 N -5.39 0.00 -2.22 1.38 3.72 -1.15 -4.52 117.46 109.28 1bqx n PHE 75 Ca 0.12 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.09 1bqx n PHE 75 Cb 0.40 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 1bqx n PHE 75 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1bqx n LYS 76 N -2.19 3.08 0.00 -1.08 4.01 -0.95 -5.17 118.16 115.86 1bqx n LYS 76 Ca -0.06 -3.02 0.00 0.00 -0.51 0.00 0.00 58.31 54.71 1bqx n LYS 76 Cb 0.54 -3.36 0.00 0.00 -0.51 0.00 0.00 35.03 31.70 1bqx n LYS 76 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46