#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p8g s GLU 2 N 0.00 1.71 -0.44 0.03 2.02 0.61 -4.94 118.70 117.68 1p8g s GLU 2 Ca 0.00 -1.23 -0.28 0.00 0.02 0.00 0.00 54.97 53.48 1p8g s GLU 2 Cb 0.00 -2.73 -0.01 0.00 0.10 0.00 0.00 34.13 31.49 1p8g s GLU 2 CO 0.00 -0.67 1.68 -1.14 0.02 0.00 0.00 175.26 175.15 1p8g s GLN 3 N 1.25 3.22 0.37 1.61 0.74 -1.26 -2.30 119.66 123.30 1p8g s GLN 3 Ca -0.03 1.01 0.04 0.00 0.05 0.00 0.00 55.36 56.43 1p8g s GLN 3 Cb -0.19 -4.19 -0.03 0.00 1.10 0.00 0.00 33.01 29.69 1p8g s GLN 3 CO -0.07 -2.00 0.13 0.15 -0.55 0.00 0.00 175.29 172.95 1p8g s LYS 4 N 5.79 1.82 -0.39 1.67 1.02 -0.28 -4.94 119.74 124.43 1p8g s LYS 4 Ca 0.69 -2.08 -0.04 0.00 0.02 0.00 0.00 55.97 54.56 1p8g s LYS 4 Cb -0.17 -0.51 0.09 0.00 -0.52 0.00 0.00 37.83 36.73 1p8g s LYS 4 CO 0.29 -0.44 0.18 0.99 -0.92 0.00 0.00 175.35 175.46 1p8g s THR 5 N -3.31 3.43 -0.87 2.17 2.01 -1.26 -0.60 115.64 117.21 1p8g s THR 5 Ca 0.28 -1.82 -0.24 0.00 0.31 0.00 0.00 61.69 60.22 1p8g s THR 5 Cb 0.04 -3.24 0.06 0.00 0.01 0.00 0.00 72.50 69.36 1p8g s THR 5 CO 0.16 -0.57 1.29 -0.22 -0.69 0.00 0.00 174.62 174.60 1p8g s LEU 6 N 1.22 3.67 0.02 4.42 0.20 -1.25 -2.61 118.68 124.34 1p8g s LEU 6 Ca 0.05 -1.12 -0.30 0.00 0.69 0.00 0.00 54.13 53.45 1p8g s LEU 6 Cb -0.22 -2.53 -0.09 0.00 -0.43 0.00 0.00 46.19 42.92 1p8g s LEU 6 CO -0.02 -1.56 1.97 -1.58 -0.29 0.00 0.00 176.35 174.87 1p8g s GLN 7 N 4.86 4.08 -0.31 1.98 -0.44 0.10 -4.34 119.66 125.60 1p8g s GLN 7 Ca 0.38 2.57 -0.17 0.00 -2.50 0.00 0.00 55.36 55.63 1p8g s GLN 7 Cb -0.05 -4.17 -0.02 0.00 -1.64 0.00 0.00 33.01 27.13 1p8g s GLN 7 CO 0.01 -1.02 0.46 0.08 0.50 0.00 0.00 175.29 175.32 1p8g s VAL 8 N 4.69 5.09 -1.01 1.34 1.01 -1.26 0.26 120.40 130.52 1p8g s VAL 8 Ca 0.89 0.50 -0.23 0.00 0.00 0.00 0.00 61.98 63.14 1p8g s VAL 8 Cb -0.42 -3.84 0.06 0.00 0.00 0.00 0.00 36.38 32.18 1p8g s VAL 8 CO 0.41 -0.03 1.42 -0.70 0.00 0.00 0.00 175.10 176.20 1p8g s GLU 9 N 2.24 3.58 -0.28 2.72 2.56 -1.14 -4.70 118.70 123.68 1p8g s GLU 9 Ca 0.17 -1.15 -0.34 0.00 0.00 0.00 0.00 54.97 53.66 1p8g s GLU 9 Cb -0.16 -5.31 -0.10 0.00 2.00 0.00 0.00 34.13 30.57 1p8g s GLU 9 CO 0.11 -2.18 2.13 0.41 -0.56 0.00 0.00 175.26 175.18 1p8g n GLY 10 N 6.76 0.77 0.00 -1.50 0.00 -1.26 -4.42 105.19 105.54 1p8g n GLY 10 Ca 0.32 0.89 0.00 0.00 0.00 0.00 0.00 46.02 47.23 1p8g n GLY 10 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1p8g n MET 11 N 7.97 0.00 -1.36 1.61 1.56 -1.26 -5.05 117.12 120.60 1p8g n MET 11 Ca 0.35 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 57.37 1p8g n MET 11 Cb 0.28 0.00 -0.05 0.00 2.15 0.00 0.00 33.22 35.60 1p8g n MET 11 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1p8g n SER 12 N 0.00 2.76 0.00 6.12 7.64 -1.26 -3.83 113.62 125.05 1p8g n SER 12 Ca 0.00 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.18 1p8g n SER 12 Cb 0.00 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 61.94 1p8g n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p8g n GLN 14 N -2.45 0.00 -4.04 0.00 7.27 -1.25 -4.85 117.38 112.06 1p8g n GLN 14 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.76 1p8g n GLN 14 Cb 0.11 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.75 1p8g n GLN 14 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1p8g n HIS 15 N 0.00 -1.85 -3.97 3.69 8.25 -1.26 0.14 115.22 120.22 1p8g n HIS 15 Ca 0.00 0.81 -0.32 0.00 -0.26 0.00 0.00 57.72 57.95 1p8g n HIS 15 Cb 0.00 -3.50 -0.01 0.00 1.12 0.00 0.00 29.99 27.59 1p8g n HIS 15 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1p8g n VAL 17 N -4.29 0.00 0.18 0.00 3.14 0.12 -4.84 118.33 112.64 1p8g n VAL 17 Ca 0.06 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.46 1p8g n VAL 17 Cb 0.50 -1.10 0.40 0.00 -1.06 0.00 0.00 33.84 32.58 1p8g n VAL 17 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 1p8g h LYS 18 N 0.00 0.07 -1.09 1.45 2.10 -0.88 0.28 116.57 118.51 1p8g h LYS 18 Ca -0.22 -0.02 0.30 0.00 -2.00 0.00 0.00 60.65 58.71 1p8g h LYS 18 Cb 0.78 -0.01 -0.10 0.00 -0.90 0.00 0.00 32.23 32.00 1p8g h LYS 18 CO 0.32 0.33 0.70 0.00 -2.00 0.00 0.00 179.45 178.80 1p8g h ALA 19 N 1.67 2.32 0.00 0.07 0.00 -1.82 0.26 119.26 121.76 1p8g h ALA 19 Ca 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1p8g h ALA 19 Cb 0.51 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1p8g h ALA 19 CO 0.04 -0.76 -0.47 0.28 0.00 0.00 0.00 179.25 178.34 1p8g h VAL 20 N 0.34 0.09 0.01 0.00 2.07 -1.32 -3.23 116.25 114.20 1p8g h VAL 20 Ca 0.64 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1p8g h VAL 20 Cb 1.70 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 1p8g h VAL 20 CO -0.32 0.05 -0.00 1.05 0.02 0.00 0.00 177.57 178.37 1p8g h GLU 21 N 0.00 -0.01 -0.85 1.57 -0.00 -0.38 -3.35 114.58 111.57 1p8g h GLU 21 Ca -0.01 0.00 0.12 0.00 -0.00 0.00 0.00 59.36 59.48 1p8g h GLU 21 Cb 1.06 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.74 1p8g h GLU 21 CO 0.01 0.83 0.55 1.15 -0.00 0.00 0.00 179.01 181.55 1p8g h THR 22 N -0.88 0.88 -0.17 -1.06 2.02 -0.98 0.13 112.91 112.86 1p8g h THR 22 Ca -0.00 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 66.97 1p8g h THR 22 Cb 0.84 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1p8g h THR 22 CO 0.00 0.13 -0.03 0.28 0.37 0.00 0.00 175.52 176.26 1p8g h SER 23 N 0.70 -0.14 -0.33 4.18 0.02 -1.68 0.28 113.55 116.58 1p8g h SER 23 Ca 0.41 0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 61.33 1p8g h SER 23 Cb 0.61 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1p8g h SER 23 CO -0.18 -0.05 -0.13 0.58 -1.14 0.00 0.00 176.83 175.92 1p8g h VAL 24 N 0.01 1.29 0.00 2.27 2.07 -1.46 -2.82 116.25 117.60 1p8g h VAL 24 Ca 0.08 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1p8g h VAL 24 Cb 0.12 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1p8g h VAL 24 CO -0.17 0.40 0.17 1.23 0.02 0.00 0.00 177.57 179.22 1p8g h GLY 25 N 0.44 0.00 1.44 2.17 0.00 0.28 -0.95 103.07 106.44 1p8g h GLY 25 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 1p8g h GLY 25 CO 0.04 0.00 -0.68 0.83 0.00 0.00 0.00 176.54 176.73 1p8g h GLU 26 N 0.00 0.00 -6.43 4.80 4.39 -0.21 -3.46 114.58 113.67 1p8g h GLU 26 Ca 0.00 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 1p8g h GLU 26 Cb 0.35 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1p8g h GLU 26 CO 0.00 0.11 0.93 -0.51 -1.16 0.00 0.00 179.01 178.38 1p8g s LEU 27 N -5.83 4.35 0.36 1.33 1.43 -0.36 -4.88 118.68 115.07 1p8g s LEU 27 Ca 0.02 2.35 0.15 0.00 -1.03 0.00 0.00 54.13 55.62 1p8g s LEU 27 Cb 0.08 -3.56 1.02 0.00 0.03 0.00 0.00 46.19 43.76 1p8g s LEU 27 CO 0.75 -0.82 1.74 -0.78 0.23 0.00 0.00 176.35 177.47 1p8g h ASP 28 N 8.07 0.54 0.14 2.29 3.58 -1.89 0.50 116.42 129.65 1p8g h ASP 28 Ca -0.41 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1p8g h ASP 28 Cb 1.19 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1p8g h ASP 28 CO 0.92 0.07 0.00 0.61 -2.88 0.00 0.00 179.24 177.96 1p8g n GLY 29 N -1.39 -1.07 3.70 -0.78 0.00 -1.26 -4.88 105.19 99.51 1p8g n GLY 29 Ca 0.27 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1p8g n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p8g s VAL 30 N -2.14 2.50 0.00 1.61 0.11 0.16 -0.11 120.40 122.54 1p8g s VAL 30 Ca 0.43 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 1p8g s VAL 30 Cb 0.21 -2.64 0.00 0.00 -1.53 0.00 0.00 36.38 32.43 1p8g s VAL 30 CO 0.39 -0.21 0.00 -0.24 -3.33 0.00 0.00 175.10 171.71 1p8g n SER 31 N -3.98 0.00 -3.88 3.54 2.88 0.15 -4.84 113.62 107.49 1p8g n SER 31 Ca 0.07 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.50 1p8g n SER 31 Cb 0.56 0.01 -0.11 0.00 -0.75 0.00 0.00 64.21 63.92 1p8g n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1p8g s ALA 32 N -1.54 -0.23 -0.38 -1.46 0.00 0.32 -4.92 121.76 113.56 1p8g s ALA 32 Ca 0.00 -0.12 0.11 0.00 0.00 0.00 0.00 51.96 51.96 1p8g s ALA 32 Cb 0.00 0.05 0.36 0.00 0.00 0.00 0.00 23.12 23.53 1p8g s ALA 32 CO 0.00 -0.16 0.85 1.33 0.00 0.00 0.00 175.76 177.78 1p8g n VAL 33 N 1.85 0.01 -2.57 0.00 0.24 -1.23 -0.83 118.33 115.80 1p8g n VAL 33 Ca -0.21 -3.71 -0.42 0.00 -2.04 0.00 0.00 64.34 57.97 1p8g n VAL 33 Cb 0.56 0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 33.14 1p8g n VAL 33 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1p8g s HIS 34 N -1.91 2.61 -0.20 6.34 3.76 0.45 -4.89 115.29 121.45 1p8g s HIS 34 Ca 0.34 -1.07 -0.29 0.00 -0.15 0.00 0.00 55.06 53.89 1p8g s HIS 34 Cb 0.35 -4.71 -0.03 0.00 1.11 0.00 0.00 32.58 29.30 1p8g s HIS 34 CO -0.06 -1.90 1.67 0.54 -0.85 0.00 0.00 174.74 174.14 1p8g s VAL 35 N 4.73 3.62 -0.38 -0.90 0.11 -1.26 -0.47 120.40 125.84 1p8g s VAL 35 Ca 0.48 0.70 0.10 0.00 -2.93 0.00 0.00 61.98 60.34 1p8g s VAL 35 Cb 0.01 -3.62 0.32 0.00 -1.53 0.00 0.00 36.38 31.56 1p8g s VAL 35 CO -0.05 -0.25 0.70 0.59 -3.33 0.00 0.00 175.10 172.76 1p8g n ASN 36 N 8.48 0.39 0.31 3.54 4.13 -1.24 -4.92 115.26 125.95 1p8g n ASN 36 Ca 0.19 -2.97 0.19 0.00 1.68 0.00 0.00 54.58 53.68 1p8g n ASN 36 Cb 0.45 -0.43 1.01 0.00 -1.54 0.00 0.00 39.78 39.27 1p8g n ASN 36 CO 0.00 0.00 0.00 0.17 0.28 0.00 0.00 177.26 177.71 1p8g h LEU 37 N 3.29 0.00 -0.88 3.41 8.10 -1.91 0.82 115.31 128.15 1p8g h LEU 37 Ca 0.07 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 58.00 1p8g h LEU 37 Cb 0.95 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.15 1p8g h LEU 37 CO 0.46 0.00 0.08 -0.08 -4.11 0.00 0.00 178.44 174.80 1p8g h GLU 38 N 0.00 0.92 0.00 0.17 4.81 -1.91 -1.28 114.58 117.29 1p8g h GLU 38 Ca 0.02 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 58.93 1p8g h GLU 38 Cb 0.31 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1p8g h GLU 38 CO -0.00 0.86 -0.45 0.00 -0.73 0.00 0.00 179.01 178.69 1p8g h ALA 39 N 1.22 0.73 0.00 2.92 0.00 -1.31 -3.47 119.26 119.36 1p8g h ALA 39 Ca 0.18 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1p8g h ALA 39 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1p8g h ALA 39 CO 0.01 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1p8g n GLY 40 N 1.10 0.69 3.28 0.00 0.00 -0.48 -5.04 105.19 104.74 1p8g n GLY 40 Ca 0.02 -0.69 -0.04 0.00 0.00 0.00 0.00 46.02 45.31 1p8g n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p8g s LYS 41 N -1.93 0.45 0.24 1.61 1.02 -1.02 -4.85 119.74 115.26 1p8g s LYS 41 Ca 0.00 1.05 -0.17 0.00 0.02 0.00 0.00 55.97 56.87 1p8g s LYS 41 Cb 0.00 0.37 -0.08 0.00 -0.52 0.00 0.00 37.83 37.60 1p8g s LYS 41 CO 0.00 -0.38 0.70 0.14 -0.92 0.00 0.00 175.35 174.89 1p8g s VAL 42 N 2.73 4.64 -0.57 3.17 -7.23 -1.26 -3.72 120.40 118.16 1p8g s VAL 42 Ca 0.04 1.11 -0.09 0.00 -1.81 0.00 0.00 61.98 61.23 1p8g s VAL 42 Cb -0.13 -3.77 0.15 0.00 0.56 0.00 0.00 36.38 33.19 1p8g s VAL 42 CO -0.17 0.09 0.45 -0.62 -0.31 0.00 0.00 175.10 174.55 1p8g s ASP 43 N -1.86 5.84 -0.29 4.85 -1.08 0.37 -3.94 116.67 120.57 1p8g s ASP 43 Ca 0.46 -2.24 0.03 0.00 -0.52 0.00 0.00 52.55 50.28 1p8g s ASP 43 Cb -0.14 -2.03 0.07 0.00 -1.46 0.00 0.00 42.92 39.36 1p8g s ASP 43 CO 0.20 -0.62 -0.05 0.68 0.52 0.00 0.00 175.17 175.90 1p8g s VAL 44 N 0.87 2.24 -0.27 1.11 -7.23 0.23 -0.41 120.40 116.95 1p8g s VAL 44 Ca 0.10 -1.87 -0.11 0.00 -1.81 0.00 0.00 61.98 58.29 1p8g s VAL 44 Cb -0.22 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.23 1p8g s VAL 44 CO -0.03 -0.22 0.20 -0.55 -0.31 0.00 0.00 175.10 174.19 1p8g s SER 45 N 1.05 6.06 0.26 4.85 0.15 -0.01 -1.12 113.70 124.94 1p8g s SER 45 Ca -0.02 0.05 -0.08 0.00 0.70 0.00 0.00 55.95 56.59 1p8g s SER 45 Cb -0.20 -2.12 -0.01 0.00 -1.71 0.00 0.00 66.02 61.98 1p8g s SER 45 CO -0.06 -0.03 0.42 0.72 1.20 0.00 0.00 173.24 175.49 1p8g s PHE 46 N 1.61 0.67 -0.98 3.44 -0.12 -0.97 0.29 117.98 121.93 1p8g s PHE 46 Ca 0.08 -0.98 -0.09 0.00 -0.05 0.00 0.00 56.93 55.89 1p8g s PHE 46 Cb -0.15 -0.00 0.25 0.00 -0.63 0.00 0.00 43.02 42.48 1p8g s PHE 46 CO 0.09 -0.97 0.93 0.34 -0.05 0.00 0.00 175.22 175.57 1p8g s ASP 47 N -3.10 6.85 0.50 1.98 2.15 0.85 -0.25 116.67 125.66 1p8g s ASP 47 Ca 0.27 -3.35 0.30 0.00 0.43 0.00 0.00 52.55 50.21 1p8g s ASP 47 Cb 0.01 -2.14 1.41 0.00 -0.30 0.00 0.00 42.92 41.90 1p8g s ASP 47 CO 0.12 -0.35 1.82 0.00 -0.17 0.00 0.00 175.17 176.60 1p8g h ALA 48 N 6.86 2.81 0.14 3.66 0.00 -1.88 -0.86 119.26 129.99 1p8g h ALA 48 Ca 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1p8g h ALA 48 Cb 0.91 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1p8g h ALA 48 CO 0.90 -1.14 -0.50 0.22 0.00 0.00 0.00 179.25 178.74 1p8g h ASP 49 N 0.11 -1.49 0.08 0.00 1.82 -1.97 -2.82 116.42 112.15 1p8g h ASP 49 Ca 0.53 0.15 -0.16 0.00 -0.39 0.00 0.00 57.03 57.17 1p8g h ASP 49 Cb 1.90 0.54 0.00 0.00 0.68 0.00 0.00 39.33 42.46 1p8g h ASP 49 CO -0.08 -0.53 -0.77 0.50 -1.61 0.00 0.00 179.24 176.75 1p8g h LYS 50 N -0.72 0.16 -3.67 0.28 3.64 -1.86 -3.42 116.57 110.98 1p8g h LYS 50 Ca -0.01 -0.28 -0.63 0.00 -1.27 0.00 0.00 60.65 58.46 1p8g h LYS 50 Cb 0.72 0.10 -0.40 0.00 -0.41 0.00 0.00 32.23 32.24 1p8g h LYS 50 CO -0.26 1.13 -0.70 0.14 -2.27 0.00 0.00 179.45 177.50 1p8g s VAL 51 N -2.37 1.96 0.73 2.00 -7.23 -0.38 -5.11 120.40 110.00 1p8g s VAL 51 Ca -0.18 -2.58 -0.15 0.00 -1.81 0.00 0.00 61.98 57.25 1p8g s VAL 51 Cb 0.01 -2.40 0.04 0.00 0.56 0.00 0.00 36.38 34.59 1p8g s VAL 51 CO 0.75 -0.75 1.24 -0.44 -0.31 0.00 0.00 175.10 175.58 1p8g s SER 52 N 0.47 4.10 0.33 4.85 0.01 -1.07 -3.44 113.70 118.95 1p8g s SER 52 Ca 0.14 2.46 0.10 0.00 1.31 0.00 0.00 55.95 59.96 1p8g s SER 52 Cb -0.22 -2.60 0.98 0.00 0.21 0.00 0.00 66.02 64.38 1p8g s SER 52 CO -0.06 -2.33 1.61 0.58 0.41 0.00 0.00 173.24 173.45 1p8g h VAL 53 N -0.23 0.15 0.06 3.43 2.07 -1.92 0.63 116.25 120.44 1p8g h VAL 53 Ca -0.48 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.01 1p8g h VAL 53 Cb 1.31 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1p8g h VAL 53 CO 0.49 0.02 -0.44 0.50 0.02 0.00 0.00 177.57 178.17 1p8g h LYS 54 N 0.13 -0.57 -1.01 1.57 3.64 -1.98 0.14 116.57 118.49 1p8g h LYS 54 Ca 0.68 0.04 0.28 0.00 -1.27 0.00 0.00 60.65 60.38 1p8g h LYS 54 Cb 1.57 0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 33.39 1p8g h LYS 54 CO -0.74 -0.38 0.60 0.22 -2.27 0.00 0.00 179.45 176.88 1p8g h ASP 55 N -0.59 0.60 -0.05 4.20 1.82 -0.16 0.24 116.42 122.48 1p8g h ASP 55 Ca 0.00 0.15 -0.03 0.00 -0.39 0.00 0.00 57.03 56.77 1p8g h ASP 55 Cb 0.61 0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.69 1p8g h ASP 55 CO -0.26 0.02 -0.06 0.40 -1.61 0.00 0.00 179.24 177.72 1p8g h ILE 56 N 0.47 1.39 -0.45 2.25 1.08 -0.18 0.17 117.51 122.24 1p8g h ILE 56 Ca 0.68 -1.27 0.02 0.00 -0.39 0.00 0.00 64.86 63.90 1p8g h ILE 56 Cb 1.43 2.12 -0.03 0.00 -3.07 0.00 0.00 36.82 37.27 1p8g h ILE 56 CO -0.50 0.35 0.27 0.00 -0.69 0.00 0.00 178.15 177.57 1p8g h ALA 57 N 0.52 0.57 -1.01 1.87 0.00 0.63 -1.42 119.26 120.42 1p8g h ALA 57 Ca 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1p8g h ALA 57 Cb 0.59 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1p8g h ALA 57 CO 0.02 -0.04 0.67 -0.44 0.00 0.00 0.00 179.25 179.45 1p8g h ASP 58 N 0.55 1.16 0.07 0.00 3.32 -0.48 -1.15 116.42 119.89 1p8g h ASP 58 Ca 0.18 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1p8g h ASP 58 Cb -0.00 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 1p8g h ASP 58 CO -0.07 0.84 -0.03 0.00 -1.72 0.00 0.00 179.24 178.25 1p8g h ALA 59 N 1.37 1.59 -0.05 3.45 0.00 0.42 0.32 119.26 126.37 1p8g h ALA 59 Ca 0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1p8g h ALA 59 Cb -0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1p8g h ALA 59 CO -0.08 0.04 -0.01 0.82 0.00 0.00 0.00 179.25 180.02 1p8g h ILE 60 N 0.00 1.30 -0.85 0.00 5.03 -0.74 -3.22 117.51 119.02 1p8g h ILE 60 Ca -0.00 -0.93 0.15 0.00 -0.12 0.00 0.00 64.86 63.96 1p8g h ILE 60 Cb 0.08 1.83 -0.06 0.00 -3.03 0.00 0.00 36.82 35.63 1p8g h ILE 60 CO 0.00 0.25 0.56 -0.08 -0.68 0.00 0.00 178.15 178.20 1p8g h GLU 61 N -0.26 0.57 -0.97 2.37 4.81 -0.20 0.32 114.58 121.22 1p8g h GLU 61 Ca 0.01 -0.03 0.20 0.00 -0.13 0.00 0.00 59.36 59.40 1p8g h GLU 61 Cb 0.41 -0.13 -0.09 0.00 0.63 0.00 0.00 28.75 29.57 1p8g h GLU 61 CO 0.01 0.38 0.61 0.22 -0.73 0.00 0.00 179.01 179.49 1p8g h ASP 62 N 0.58 0.63 0.00 1.04 3.58 -0.91 -3.35 116.42 117.99 1p8g h ASP 62 Ca 0.43 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.95 1p8g h ASP 62 Cb 0.80 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.81 1p8g h ASP 62 CO -0.18 0.23 -0.57 1.67 -2.88 0.00 0.00 179.24 177.51 1p8g n GLN 63 N -4.65 0.30 0.00 0.28 7.27 0.42 -5.10 117.38 115.91 1p8g n GLN 63 Ca 0.22 0.12 0.00 0.00 0.07 0.00 0.00 57.00 57.41 1p8g n GLN 63 Cb 0.63 -1.01 0.00 0.00 2.41 0.00 0.00 30.24 32.28 1p8g n GLN 63 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1p8g n GLY 64 N 2.02 5.51 2.70 1.69 0.00 0.83 -5.12 105.19 112.82 1p8g n GLY 64 Ca -0.08 -1.87 -0.07 0.00 0.00 0.00 0.00 46.02 44.01 1p8g n GLY 64 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1p8g n TYR 65 N 0.00 -2.14 -3.34 1.61 0.18 -1.26 -3.86 117.16 108.35 1p8g n TYR 65 Ca 0.00 -1.72 -0.27 0.00 1.88 0.00 0.00 57.90 57.79 1p8g n TYR 65 Cb 0.00 1.53 -0.07 0.00 -0.38 0.00 0.00 39.34 40.42 1p8g n TYR 65 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1p8g n ASP 66 N -0.45 3.81 -3.56 9.48 9.92 -1.26 -4.92 116.55 129.57 1p8g n ASP 66 Ca -0.06 -3.47 -0.29 0.00 -0.53 0.00 0.00 54.79 50.44 1p8g n ASP 66 Cb 0.80 -0.65 -0.15 0.00 -0.64 0.00 0.00 41.12 40.48 1p8g n ASP 66 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1p8g s VAL 67 N -2.78 0.02 0.29 2.53 1.01 -1.26 -2.88 120.40 117.33 1p8g s VAL 67 Ca 0.41 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1p8g s VAL 67 Cb 0.17 -1.03 0.08 0.00 0.00 0.00 0.00 36.38 35.60 1p8g s VAL 67 CO -0.03 -0.71 1.75 0.00 0.00 0.00 0.00 175.10 176.11 1p8g h ALA 68 N 8.38 1.16 0.00 5.51 0.00 -0.47 -3.43 119.26 130.40 1p8g h ALA 68 Ca -0.19 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1p8g h ALA 68 Cb 1.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1p8g h ALA 68 CO 0.44 0.53 0.00 1.17 0.00 0.00 0.00 179.25 181.39 1p8g n LYS 69 N -4.14 0.00 -2.02 0.00 4.81 0.02 -4.93 118.16 111.90 1p8g n LYS 69 Ca -0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1p8g n LYS 69 Cb 0.38 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.40 1p8g n LYS 69 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1p8g s ILE 70 N -2.02 2.98 0.02 3.15 1.10 -1.26 0.01 121.20 125.18 1p8g s ILE 70 Ca 0.00 0.64 0.02 0.00 -0.51 0.00 0.00 60.65 60.79 1p8g s ILE 70 Cb 0.00 -3.41 -0.01 0.00 0.15 0.00 0.00 42.46 39.19 1p8g s ILE 70 CO 0.00 0.03 -0.06 -1.61 -2.11 0.00 0.00 174.94 171.19 1p8g s GLU 71 N 1.56 0.45 3.31 3.50 0.41 -1.07 -4.88 118.70 121.98 1p8g s GLU 71 Ca 0.69 -0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.82 1p8g s GLU 71 Cb -0.40 -0.34 0.00 0.00 -1.78 0.00 0.00 34.13 31.61 1p8g s GLU 71 CO 0.31 0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.57 1p8g n GLY 72 N 2.31 0.45 0.00 -1.39 0.00 -1.26 -4.67 105.19 100.62 1p8g n GLY 72 Ca -0.17 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1p8g n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19