#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 3.04 -0.64 2.12 2.02 -0.03 -4.84 118.70 120.38 1p8g s GLU 2 Ca 0.00 -0.92 -0.27 0.00 0.02 0.00 0.00 54.97 53.80 1p8g s GLU 2 Cb 0.00 -3.62 -0.01 0.00 0.10 0.00 0.00 34.13 30.60 1p8g s GLU 2 CO 0.00 -0.56 1.69 1.14 0.02 0.00 0.00 175.26 177.55 1p8g s GLN 3 N 1.57 2.81 0.43 1.61 0.00 -1.26 -1.86 119.66 122.96 1p8g s GLN 3 Ca 0.03 0.40 0.04 0.00 -0.00 0.00 0.00 55.36 55.83 1p8g s GLN 3 Cb -0.18 -4.32 -0.02 0.00 0.00 0.00 0.00 33.01 28.49 1p8g s GLN 3 CO 0.06 -2.53 0.12 0.15 0.00 0.00 0.00 175.29 173.09 1p8g s LYS 4 N 6.61 2.00 -0.24 9.60 1.02 0.02 -4.93 119.74 133.83 1p8g s LYS 4 Ca 0.59 -2.24 0.01 0.00 0.02 0.00 0.00 55.97 54.35 1p8g s LYS 4 Cb -0.12 -0.71 0.04 0.00 -0.52 0.00 0.00 37.83 36.52 1p8g s LYS 4 CO 0.20 -0.49 -0.11 0.99 -0.92 0.00 0.00 175.35 175.01 1p8g s THR 5 N -3.15 2.41 -0.94 2.17 2.01 -1.26 -0.50 115.64 116.39 1p8g s THR 5 Ca 0.20 -1.25 -0.24 0.00 0.31 0.00 0.00 61.69 60.71 1p8g s THR 5 Cb 0.02 -2.25 0.04 0.00 0.01 0.00 0.00 72.50 70.31 1p8g s THR 5 CO 0.13 0.18 1.43 -0.76 -0.69 0.00 0.00 174.62 174.91 1p8g s LEU 6 N 1.23 3.40 -0.16 4.42 1.43 -1.24 -1.54 118.68 126.22 1p8g s LEU 6 Ca -0.02 -1.14 -0.36 0.00 -1.03 0.00 0.00 54.13 51.58 1p8g s LEU 6 Cb -0.17 -2.57 -0.13 0.00 0.03 0.00 0.00 46.19 43.35 1p8g s LEU 6 CO -0.07 -1.65 1.85 1.67 0.23 0.00 0.00 176.35 178.38 1p8g n GLN 7 N 9.02 1.83 -3.44 1.70 0.00 0.14 -4.60 117.38 122.03 1p8g n GLN 7 Ca 0.25 0.67 -0.37 0.00 -0.00 0.00 0.00 57.00 57.55 1p8g n GLN 7 Cb 0.50 -2.47 -0.07 0.00 0.00 0.00 0.00 30.24 28.21 1p8g n GLN 7 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1p8g s VAL 8 N 3.98 5.24 -0.54 1.69 1.01 -1.26 0.10 120.40 130.62 1p8g s VAL 8 Ca 0.95 0.69 -0.21 0.00 0.00 0.00 0.00 61.98 63.41 1p8g s VAL 8 Cb -0.82 -3.70 0.06 0.00 0.00 0.00 0.00 36.38 31.92 1p8g s VAL 8 CO 0.56 0.33 0.76 -0.70 0.00 0.00 0.00 175.10 176.05 1p8g s GLU 9 N 0.80 3.17 -0.51 2.72 2.56 -1.26 -4.77 118.70 121.42 1p8g s GLU 9 Ca 0.19 -0.76 -0.27 0.00 0.00 0.00 0.00 54.97 54.13 1p8g s GLU 9 Cb -0.14 -4.12 -0.03 0.00 2.00 0.00 0.00 34.13 31.84 1p8g s GLU 9 CO 0.07 -1.39 1.93 0.20 -0.56 0.00 0.00 175.26 175.50 1p8g s GLY 10 N 2.95 0.27 0.17 -1.50 0.00 -1.26 -4.52 107.32 103.43 1p8g s GLY 10 Ca 0.20 -0.29 0.01 0.00 0.00 0.00 0.00 44.72 44.64 1p8g s GLY 10 CO 0.13 3.49 0.06 -0.13 0.00 0.00 0.00 173.10 176.65 1p8g n MET 11 N 8.95 1.44 -0.02 2.90 1.56 -1.26 -5.08 117.12 125.61 1p8g n MET 11 Ca 0.24 -1.19 0.00 0.00 -0.27 0.00 0.00 57.70 56.48 1p8g n MET 11 Cb 0.51 0.24 -0.00 0.00 2.15 0.00 0.00 33.22 36.12 1p8g n MET 11 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1p8g n SER 12 N -1.45 -4.35 -0.12 6.12 2.88 -1.26 -4.70 113.62 110.73 1p8g n SER 12 Ca -0.04 0.02 -0.26 0.00 -1.33 0.00 0.00 58.87 57.26 1p8g n SER 12 Cb 0.21 -0.07 -0.11 0.00 -0.75 0.00 0.00 64.21 63.49 1p8g n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1p8g s GLN 14 N -2.46 2.16 -1.46 0.00 2.00 -1.26 -4.97 119.66 113.67 1p8g s GLN 14 Ca -0.35 -1.45 -0.05 0.00 -2.00 0.00 0.00 55.36 51.51 1p8g s GLN 14 Cb 0.11 0.60 0.02 0.00 0.80 0.00 0.00 33.01 34.55 1p8g s GLN 14 CO 0.54 -1.00 0.48 1.58 -0.50 0.00 0.00 175.29 176.39 1p8g n HIS 15 N -0.53 -1.81 -0.08 1.67 -0.00 -1.26 -4.87 115.22 108.34 1p8g n HIS 15 Ca -0.07 0.43 -0.18 0.00 0.46 0.00 0.00 57.72 58.36 1p8g n HIS 15 Cb 0.60 -3.89 -0.06 0.00 -0.12 0.00 0.00 29.99 26.53 1p8g n HIS 15 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1p8g h VAL 17 N -0.65 0.19 0.00 0.00 3.04 -1.91 0.30 116.25 117.23 1p8g h VAL 17 Ca -0.40 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.25 1p8g h VAL 17 Cb 1.30 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.76 1p8g h VAL 17 CO -0.24 0.00 -0.19 0.11 -1.01 0.00 0.00 177.57 176.24 1p8g h LYS 18 N -0.00 0.00 0.42 4.17 6.56 -1.98 -1.52 116.57 124.22 1p8g h LYS 18 Ca 0.39 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.95 1p8g h LYS 18 Cb 0.59 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 1p8g h LYS 18 CO -0.83 0.19 -0.20 0.00 -2.06 0.00 0.00 179.45 176.55 1p8g h ALA 19 N 1.81 -0.57 -0.94 3.86 0.00 -0.58 0.14 119.26 122.98 1p8g h ALA 19 Ca -0.00 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 54.94 1p8g h ALA 19 Cb 0.75 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.64 1p8g h ALA 19 CO 0.02 -0.66 0.49 0.28 0.00 0.00 0.00 179.25 179.39 1p8g h VAL 20 N -0.89 0.54 0.00 0.00 2.07 -1.04 0.73 116.25 117.65 1p8g h VAL 20 Ca -0.06 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1p8g h VAL 20 Cb 0.56 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1p8g h VAL 20 CO 0.10 0.09 0.00 1.21 0.02 0.00 0.00 177.57 178.99 1p8g n GLU 21 N -4.95 0.00 -0.28 1.57 0.00 -0.59 -3.08 120.64 113.32 1p8g n GLU 21 Ca 0.24 0.48 0.10 0.00 0.00 0.00 0.00 57.16 57.97 1p8g n GLU 21 Cb 0.66 -1.33 0.24 0.00 0.00 0.00 0.00 31.44 31.02 1p8g n GLU 21 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1p8g h THR 22 N 0.00 0.46 0.89 6.31 2.02 -0.52 0.16 112.91 122.23 1p8g h THR 22 Ca 0.00 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 1p8g h THR 22 Cb 0.00 0.13 0.01 0.00 -1.74 0.00 0.00 68.15 66.55 1p8g h THR 22 CO 0.00 0.06 -0.44 0.28 0.37 0.00 0.00 175.52 175.79 1p8g h SER 23 N 0.31 -1.05 -0.80 4.18 0.02 -0.92 0.21 113.55 115.50 1p8g h SER 23 Ca 0.49 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.47 1p8g h SER 23 Cb 0.90 0.27 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 1p8g h SER 23 CO -0.54 -0.74 0.47 0.58 -1.14 0.00 0.00 176.83 175.46 1p8g h VAL 24 N -1.21 1.23 0.00 2.27 2.07 -1.43 -1.58 116.25 117.59 1p8g h VAL 24 Ca -0.12 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1p8g h VAL 24 Cb 0.93 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1p8g h VAL 24 CO 0.19 0.25 0.13 0.61 0.02 0.00 0.00 177.57 178.77 1p8g n GLY 25 N -1.16 -0.68 0.17 2.17 0.00 0.53 -1.33 105.19 104.89 1p8g n GLY 25 Ca 0.08 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.32 1p8g n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1p8g h GLU 26 N 0.00 0.00 -6.33 1.61 5.08 0.44 -3.46 114.58 111.92 1p8g h GLU 26 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1p8g h GLU 26 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1p8g h GLU 26 CO 0.00 0.12 1.05 -0.51 -1.00 0.00 0.00 179.01 178.67 1p8g s LEU 27 N -6.05 4.34 0.35 1.33 1.43 -0.44 -4.87 118.68 114.76 1p8g s LEU 27 Ca 0.04 2.32 0.15 0.00 -1.03 0.00 0.00 54.13 55.61 1p8g s LEU 27 Cb 0.07 -3.54 1.09 0.00 0.03 0.00 0.00 46.19 43.83 1p8g s LEU 27 CO 0.72 -0.91 1.67 -0.78 0.23 0.00 0.00 176.35 177.29 1p8g h ASP 28 N 9.13 0.52 -0.25 2.29 3.58 -1.88 0.47 116.42 130.28 1p8g h ASP 28 Ca -0.41 0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.22 1p8g h ASP 28 Cb 1.19 0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.36 1p8g h ASP 28 CO 0.94 -0.10 0.00 0.61 -2.88 0.00 0.00 179.24 177.81 1p8g n GLY 29 N -1.31 0.35 3.77 -0.78 0.00 -1.26 -4.91 105.19 101.05 1p8g n GLY 29 Ca 0.31 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.67 3.38 0.00 1.61 0.11 0.15 -0.47 120.40 123.51 1p8g s VAL 30 Ca 0.26 0.45 0.00 0.00 -2.93 0.00 0.00 61.98 59.76 1p8g s VAL 30 Cb 0.14 -2.98 0.00 0.00 -1.53 0.00 0.00 36.38 32.00 1p8g s VAL 30 CO 0.19 -0.59 0.00 -0.24 -3.33 0.00 0.00 175.10 171.14 1p8g n SER 31 N -3.49 0.73 -3.88 3.54 2.88 0.11 -4.85 113.62 108.66 1p8g n SER 31 Ca 0.09 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.52 1p8g n SER 31 Cb 0.53 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 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 -1.64 -0.26 -0.37 -1.46 0.00 0.22 -4.92 121.76 113.33 1p8g s ALA 32 Ca 0.00 -0.12 0.13 0.00 0.00 0.00 0.00 51.96 51.97 1p8g s ALA 32 Cb 0.00 0.06 0.37 0.00 0.00 0.00 0.00 23.12 23.55 1p8g s ALA 32 CO 0.00 -0.18 0.79 1.33 0.00 0.00 0.00 175.76 177.70 1p8g n VAL 33 N 1.72 0.03 -1.75 0.00 0.24 -1.25 -0.71 118.33 116.60 1p8g n VAL 33 Ca -0.21 -4.17 -0.41 0.00 -2.04 0.00 0.00 64.34 57.50 1p8g n VAL 33 Cb 0.56 -0.02 -0.01 0.00 -1.47 0.00 0.00 33.84 32.91 1p8g n VAL 33 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1p8g n HIS 34 N 0.22 3.15 -1.71 6.34 -0.00 0.26 -4.89 115.22 118.59 1p8g n HIS 34 Ca 0.21 -2.97 -0.43 0.00 0.46 0.00 0.00 57.72 55.00 1p8g n HIS 34 Cb 0.69 -2.41 -0.02 0.00 -0.12 0.00 0.00 29.99 28.13 1p8g n HIS 34 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 1p8g n VAL 35 N 4.32 0.98 -2.79 3.57 3.14 -1.26 -1.72 118.33 124.57 1p8g n VAL 35 Ca 0.56 -0.25 -0.10 0.00 -2.96 0.00 0.00 64.34 61.60 1p8g n VAL 35 Cb 0.34 -1.73 0.07 0.00 -1.06 0.00 0.00 33.84 31.47 1p8g n VAL 35 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1p8g n ASN 36 N 2.18 -1.28 0.29 6.55 3.02 0.32 -4.92 115.26 121.41 1p8g n ASN 36 Ca 0.10 -3.11 0.16 0.00 -0.03 0.00 0.00 54.58 51.70 1p8g n ASN 36 Cb 0.34 0.97 0.86 0.00 -0.61 0.00 0.00 39.78 41.35 1p8g n ASN 36 CO 0.00 0.00 0.00 0.17 -2.62 0.00 0.00 177.26 174.81 1p8g h LEU 37 N 2.70 0.00 -1.00 3.41 8.10 -1.85 0.18 115.31 126.85 1p8g h LEU 37 Ca -0.12 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.77 1p8g h LEU 37 Cb 1.15 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.36 1p8g h LEU 37 CO 0.17 0.06 -0.37 -0.33 -4.11 0.00 0.00 178.44 173.86 1p8g h GLU 38 N 0.00 0.24 0.00 0.17 5.08 -1.95 -1.54 114.58 116.58 1p8g h GLU 38 Ca -0.00 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1p8g h GLU 38 Cb 0.22 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1p8g h GLU 38 CO 0.01 0.58 -0.38 0.00 -1.00 0.00 0.00 179.01 178.23 1p8g h ALA 39 N 1.41 0.78 0.00 3.43 0.00 -1.13 -3.47 119.26 120.28 1p8g h ALA 39 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1p8g h ALA 39 Cb 0.76 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1p8g h ALA 39 CO 0.06 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.19 1p8g n GLY 40 N 1.06 1.49 3.40 0.00 0.00 -0.36 -5.09 105.19 105.68 1p8g n GLY 40 Ca 0.02 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.83 1.35 -0.24 1.61 1.02 -0.84 -4.81 119.74 116.00 1p8g s LYS 41 Ca 0.00 -1.40 -0.07 0.00 0.02 0.00 0.00 55.97 54.52 1p8g s LYS 41 Cb 0.00 0.37 0.11 0.00 -0.52 0.00 0.00 37.83 37.80 1p8g s LYS 41 CO 0.00 -0.51 0.51 0.54 -0.92 0.00 0.00 175.35 174.97 1p8g s VAL 42 N -4.07 -0.79 -0.59 3.17 0.11 -1.26 -0.52 120.40 116.45 1p8g s VAL 42 Ca 0.29 0.09 -0.18 0.00 -2.93 0.00 0.00 61.98 59.25 1p8g s VAL 42 Cb 0.03 -0.81 0.12 0.00 -1.53 0.00 0.00 36.38 34.19 1p8g s VAL 42 CO 0.09 0.03 0.64 -1.81 -3.33 0.00 0.00 175.10 170.72 1p8g s ASP 43 N 2.72 6.22 -0.30 3.54 1.11 -0.70 -3.68 116.67 125.59 1p8g s ASP 43 Ca -0.01 -1.65 -0.04 0.00 0.18 0.00 0.00 52.55 51.03 1p8g s ASP 43 Cb -0.12 -2.26 0.03 0.00 1.07 0.00 0.00 42.92 41.63 1p8g s ASP 43 CO -0.16 -0.99 0.03 0.68 1.18 0.00 0.00 175.17 175.92 1p8g s VAL 44 N 2.15 3.42 -0.35 -1.27 -7.23 0.34 -0.58 120.40 116.88 1p8g s VAL 44 Ca 0.09 -1.06 -0.17 0.00 -1.81 0.00 0.00 61.98 59.03 1p8g s VAL 44 Cb -0.25 -2.85 -0.01 0.00 0.56 0.00 0.00 36.38 33.83 1p8g s VAL 44 CO 0.04 -0.01 0.46 -0.55 -0.31 0.00 0.00 175.10 174.73 1p8g s SER 45 N 1.37 6.27 0.04 4.85 0.15 0.11 -0.80 113.70 125.69 1p8g s SER 45 Ca -0.01 -0.10 -0.07 0.00 0.70 0.00 0.00 55.95 56.47 1p8g s SER 45 Cb -0.18 -2.25 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 1p8g s SER 45 CO 0.00 -0.44 0.13 0.72 1.20 0.00 0.00 173.24 174.85 1p8g s PHE 46 N 2.27 0.15 -1.23 3.44 -0.12 -0.78 0.04 117.98 121.76 1p8g s PHE 46 Ca 0.16 -0.43 -0.14 0.00 -0.05 0.00 0.00 56.93 56.48 1p8g s PHE 46 Cb -0.16 -0.11 0.15 0.00 -0.63 0.00 0.00 43.02 42.28 1p8g s PHE 46 CO 0.13 -0.39 1.52 -0.25 -0.05 0.00 0.00 175.22 176.18 1p8g n ASP 47 N 0.75 5.16 -0.27 1.98 9.92 0.38 -0.85 116.55 133.61 1p8g n ASP 47 Ca -0.19 -2.98 0.15 0.00 -0.53 0.00 0.00 54.79 51.25 1p8g n ASP 47 Cb 0.59 -1.59 0.30 0.00 -0.64 0.00 0.00 41.12 39.77 1p8g n ASP 47 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1p8g n ALA 48 N 5.97 0.52 -0.23 2.24 0.00 -1.20 -1.00 120.51 126.80 1p8g n ALA 48 Ca 0.39 0.85 -0.05 0.00 0.00 0.00 0.00 53.44 54.63 1p8g n ALA 48 Cb 0.43 -0.68 0.01 0.00 0.00 0.00 0.00 19.45 19.21 1p8g n ALA 48 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1p8g h ASP 49 N 0.00 -1.21 0.16 0.00 3.58 -1.98 -2.41 116.42 114.56 1p8g h ASP 49 Ca 0.54 0.24 -0.35 0.00 0.42 0.00 0.00 57.03 57.88 1p8g h ASP 49 Cb 1.21 0.61 -0.00 0.00 1.72 0.00 0.00 39.33 42.86 1p8g h ASP 49 CO -0.72 -0.30 -1.81 0.50 -2.88 0.00 0.00 179.24 174.03 1p8g h LYS 50 N -0.14 0.34 -3.41 0.28 3.64 -1.48 -3.44 116.57 112.37 1p8g h LYS 50 Ca 0.25 -0.58 -0.54 0.00 -1.27 0.00 0.00 60.65 58.51 1p8g h LYS 50 Cb 0.56 0.21 -0.40 0.00 -0.41 0.00 0.00 32.23 32.19 1p8g h LYS 50 CO -0.73 1.28 -0.76 0.14 -2.27 0.00 0.00 179.45 177.10 1p8g s VAL 51 N -2.56 0.53 0.59 2.00 -7.23 -0.41 -5.11 120.40 108.22 1p8g s VAL 51 Ca -0.19 -0.89 -0.19 0.00 -1.81 0.00 0.00 61.98 58.91 1p8g s VAL 51 Cb 0.06 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.72 1p8g s VAL 51 CO 0.81 -0.47 1.21 -0.44 -0.31 0.00 0.00 175.10 175.90 1p8g s SER 52 N 1.82 5.20 0.18 4.85 0.01 -0.92 -3.26 113.70 121.58 1p8g s SER 52 Ca 0.05 2.38 -0.09 0.00 1.31 0.00 0.00 55.95 59.60 1p8g s SER 52 Cb -0.17 -2.60 0.25 0.00 0.21 0.00 0.00 66.02 63.71 1p8g s SER 52 CO -0.19 -1.58 1.08 0.52 0.41 0.00 0.00 173.24 173.47 1p8g n VAL 53 N -1.59 -0.32 0.01 3.43 0.31 -1.26 0.67 118.33 119.58 1p8g n VAL 53 Ca 0.14 1.60 -0.15 0.00 -0.01 0.00 0.00 64.34 65.91 1p8g n VAL 53 Cb 0.50 -2.17 -0.10 0.00 -0.91 0.00 0.00 33.84 31.15 1p8g n VAL 53 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1p8g h LYS 54 N 0.00 -0.59 -0.89 5.55 3.64 -1.98 0.10 116.57 122.39 1p8g h LYS 54 Ca 0.29 0.04 0.21 0.00 -1.27 0.00 0.00 60.65 59.92 1p8g h LYS 54 Cb 0.46 0.14 -0.12 0.00 -0.41 0.00 0.00 32.23 32.30 1p8g h LYS 54 CO -0.70 -0.40 0.40 0.22 -2.27 0.00 0.00 179.45 176.70 1p8g h ASP 55 N -0.62 0.36 -0.30 4.20 3.58 -0.08 0.25 116.42 123.81 1p8g h ASP 55 Ca 0.03 0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.58 1p8g h ASP 55 Cb 0.70 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 1p8g h ASP 55 CO -0.41 0.03 0.02 0.40 -2.88 0.00 0.00 179.24 176.40 1p8g h ILE 56 N 0.43 1.25 -0.47 2.25 1.08 0.07 -0.34 117.51 121.77 1p8g h ILE 56 Ca 0.55 -0.88 -0.01 0.00 -0.39 0.00 0.00 64.86 64.12 1p8g h ILE 56 Cb 1.01 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 35.99 1p8g h ILE 56 CO -0.51 0.29 0.25 0.00 -0.69 0.00 0.00 178.15 177.49 1p8g h ALA 57 N 0.85 0.60 -0.95 1.87 0.00 0.12 -1.70 119.26 120.05 1p8g h ALA 57 Ca 0.09 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1p8g h ALA 57 Cb 0.40 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1p8g h ALA 57 CO 0.01 0.13 0.62 -0.44 0.00 0.00 0.00 179.25 179.57 1p8g h ASP 58 N 0.61 0.97 -0.52 0.00 3.32 -0.41 0.13 116.42 120.53 1p8g h ASP 58 Ca 0.16 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.27 1p8g h ASP 58 Cb 0.07 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1p8g h ASP 58 CO -0.02 0.61 0.34 0.00 -1.72 0.00 0.00 179.24 178.45 1p8g h ALA 59 N 1.49 1.84 -0.23 3.45 0.00 -0.13 0.33 119.26 126.01 1p8g h ALA 59 Ca 0.41 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1p8g h ALA 59 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1p8g h ALA 59 CO -0.16 0.08 0.06 0.82 0.00 0.00 0.00 179.25 180.05 1p8g h ILE 60 N 0.51 1.21 -0.09 0.00 5.03 -0.43 -3.15 117.51 120.58 1p8g h ILE 60 Ca 0.22 -0.67 0.02 0.00 -0.12 0.00 0.00 64.86 64.31 1p8g h ILE 60 Cb 0.23 1.21 -0.00 0.00 -3.03 0.00 0.00 36.82 35.23 1p8g h ILE 60 CO -0.06 0.21 0.06 -0.33 -0.68 0.00 0.00 178.15 177.36 1p8g h GLU 61 N 0.19 0.02 0.00 2.37 4.39 0.46 0.36 114.58 122.38 1p8g h GLU 61 Ca 0.07 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1p8g h GLU 61 Cb 0.27 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1p8g h GLU 61 CO 0.00 0.02 -0.06 -0.44 -1.16 0.00 0.00 179.01 177.36 1p8g h ASP 62 N 0.03 0.00 0.00 1.42 3.32 -0.61 -3.39 116.42 117.18 1p8g h ASP 62 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1p8g h ASP 62 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1p8g h ASP 62 CO -0.00 0.06 -0.11 0.00 -1.72 0.00 0.00 179.24 177.47 1p8g n GLN 63 N -3.66 0.06 0.00 3.56 1.13 0.59 -5.11 117.38 113.96 1p8g n GLN 63 Ca -0.02 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1p8g n GLN 63 Cb 0.17 -0.38 0.00 0.00 0.11 0.00 0.00 30.24 30.13 1p8g n GLN 63 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p8g n GLY 64 N 2.78 4.09 2.71 1.08 0.00 0.95 -5.11 105.19 111.68 1p8g n GLY 64 Ca -0.02 -1.81 -0.07 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.42 -3.14 1.61 0.18 -1.26 -4.04 117.16 108.09 1p8g n TYR 65 Ca 0.00 -1.88 -0.22 0.00 1.88 0.00 0.00 57.90 57.69 1p8g n TYR 65 Cb 0.00 1.57 -0.04 0.00 -0.38 0.00 0.00 39.34 40.49 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 -0.09 1.89 -3.22 9.48 9.92 -1.26 -4.89 116.55 128.38 1p8g n ASP 66 Ca -0.00 -3.17 -0.15 0.00 -0.53 0.00 0.00 54.79 50.93 1p8g n ASP 66 Cb 0.76 -0.61 -0.06 0.00 -0.64 0.00 0.00 41.12 40.58 1p8g n ASP 66 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1p8g s VAL 67 N -2.81 -0.37 0.05 2.53 0.11 -1.26 -3.99 120.40 114.66 1p8g s VAL 67 Ca 0.42 -1.33 -0.09 0.00 -2.93 0.00 0.00 61.98 58.04 1p8g s VAL 67 Cb 0.30 -0.61 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 1p8g s VAL 67 CO -0.10 -0.57 1.16 0.00 -3.33 0.00 0.00 175.10 172.27 1p8g h ALA 68 N 6.23 -0.19 0.00 1.54 0.00 -0.64 -3.46 119.26 122.73 1p8g h ALA 68 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1p8g h ALA 68 Cb 1.04 1.09 0.00 0.00 0.00 0.00 0.00 17.79 19.92 1p8g h ALA 68 CO 0.19 -0.32 0.00 1.17 0.00 0.00 0.00 179.25 180.29 1p8g n LYS 69 N -3.66 -0.96 -2.13 0.00 4.81 -0.98 -4.99 118.16 110.25 1p8g n LYS 69 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.03 1p8g n LYS 69 Cb 0.08 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.10 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 -2.00 3.03 -0.06 3.15 1.10 -1.26 0.26 121.20 125.42 1p8g s ILE 70 Ca 0.00 0.82 -0.29 0.00 -0.51 0.00 0.00 60.65 60.66 1p8g s ILE 70 Cb 0.00 -3.52 -0.07 0.00 0.15 0.00 0.00 42.46 39.02 1p8g s ILE 70 CO 0.00 0.11 1.94 -1.61 -2.11 0.00 0.00 174.94 173.27 1p8g s GLU 71 N 0.12 3.90 -0.56 3.50 0.41 -0.59 -3.63 118.70 121.86 1p8g s GLU 71 Ca 0.60 2.33 -0.05 0.00 -0.41 0.00 0.00 54.97 57.44 1p8g s GLU 71 Cb -0.39 -4.17 0.01 0.00 -1.78 0.00 0.00 34.13 27.80 1p8g s GLU 71 CO 0.38 -1.21 0.59 0.41 -0.49 0.00 0.00 175.26 174.93 1p8g n GLY 72 N 4.75 -1.17 0.00 -1.39 0.00 -1.26 -4.73 105.19 101.39 1p8g n GLY 72 Ca 0.21 0.64 0.03 0.00 0.00 0.00 0.00 46.02 46.91 1p8g n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19