#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 0.94 -0.54 2.12 2.12 -1.06 -4.95 118.70 117.33 1p8g s GLU 2 Ca 0.00 -0.26 -0.28 0.00 0.36 0.00 0.00 54.97 54.79 1p8g s GLU 2 Cb 0.00 -0.88 0.02 0.00 0.26 0.00 0.00 34.13 33.53 1p8g s GLU 2 CO 0.00 0.07 1.29 1.14 -0.54 0.00 0.00 175.26 177.21 1p8g s GLN 3 N 0.35 3.47 0.39 4.30 -2.07 -1.26 -2.37 119.66 122.47 1p8g s GLN 3 Ca -0.05 0.43 0.04 0.00 -1.82 0.00 0.00 55.36 53.95 1p8g s GLN 3 Cb -0.10 -4.04 -0.04 0.00 -1.09 0.00 0.00 33.01 27.74 1p8g s GLN 3 CO 0.01 -1.72 0.09 0.15 -1.32 0.00 0.00 175.29 172.49 1p8g s LYS 4 N 5.09 1.85 -0.22 9.60 1.02 -0.18 -4.92 119.74 131.97 1p8g s LYS 4 Ca 0.49 -2.09 0.02 0.00 0.02 0.00 0.00 55.97 54.40 1p8g s LYS 4 Cb -0.09 -0.82 0.04 0.00 -0.52 0.00 0.00 37.83 36.44 1p8g s LYS 4 CO 0.27 -0.34 -0.15 0.99 -0.92 0.00 0.00 175.35 175.20 1p8g s THR 5 N -3.20 2.03 -1.21 2.17 2.01 -1.26 -0.32 115.64 115.86 1p8g s THR 5 Ca 0.27 -1.24 -0.20 0.00 0.31 0.00 0.00 61.69 60.83 1p8g s THR 5 Cb 0.05 -2.01 0.02 0.00 0.01 0.00 0.00 72.50 70.58 1p8g s THR 5 CO 0.14 0.24 1.75 -0.76 -0.69 0.00 0.00 174.62 175.30 1p8g s LEU 6 N 1.23 3.57 -0.48 4.42 1.43 -1.23 -0.29 118.68 127.34 1p8g s LEU 6 Ca -0.02 -2.03 -0.47 0.00 -1.03 0.00 0.00 54.13 50.59 1p8g s LEU 6 Cb -0.16 -2.58 -0.20 0.00 0.03 0.00 0.00 46.19 43.28 1p8g s LEU 6 CO -0.09 -1.75 1.59 1.67 0.23 0.00 0.00 176.35 178.01 1p8g n GLN 7 N 8.47 0.05 -4.11 1.70 -0.06 0.26 -4.62 117.38 119.06 1p8g n GLN 7 Ca 0.45 0.02 -0.28 0.00 -2.00 0.00 0.00 57.00 55.19 1p8g n GLN 7 Cb 0.47 -1.53 -0.07 0.00 -4.06 0.00 0.00 30.24 25.06 1p8g n GLN 7 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1p8g s VAL 8 N 2.94 4.22 -0.54 1.69 0.11 -1.26 0.49 120.40 128.05 1p8g s VAL 8 Ca 1.04 -1.08 0.05 0.00 -2.93 0.00 0.00 61.98 59.06 1p8g s VAL 8 Cb -1.48 -3.10 0.37 0.00 -1.53 0.00 0.00 36.38 30.65 1p8g s VAL 8 CO 0.81 -0.02 1.01 1.21 -3.33 0.00 0.00 175.10 174.78 1p8g n GLU 9 N 0.05 3.32 -1.51 1.54 4.07 -1.26 -4.66 120.64 122.18 1p8g n GLU 9 Ca -0.09 -4.75 -0.40 0.00 -0.06 0.00 0.00 57.16 51.86 1p8g n GLU 9 Cb 0.54 -2.24 -0.13 0.00 -0.06 0.00 0.00 31.44 29.54 1p8g n GLU 9 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1p8g n GLY 10 N -0.33 -0.37 0.00 8.31 0.00 -1.26 -4.81 105.19 106.74 1p8g n GLY 10 Ca 0.34 1.07 0.05 0.00 0.00 0.00 0.00 46.02 47.48 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 8.59 0.88 0.00 1.61 1.56 -1.26 -4.88 117.12 123.63 1p8g n MET 11 Ca 0.61 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 58.04 1p8g n MET 11 Cb 0.13 -1.18 0.00 0.00 2.15 0.00 0.00 33.22 34.31 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 -0.68 0.00 -4.29 6.12 2.88 -1.26 -4.95 113.62 111.44 1p8g n SER 12 Ca 0.08 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.28 1p8g n SER 12 Cb 0.04 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.61 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 -3.22 0.26 -0.51 0.00 -1.52 -1.26 -4.15 119.66 109.27 1p8g s GLN 14 Ca 0.52 0.76 -0.03 0.00 -1.95 0.00 0.00 55.36 54.66 1p8g s GLN 14 Cb -0.16 -1.70 0.00 0.00 -0.22 0.00 0.00 33.01 30.93 1p8g s GLN 14 CO 0.70 -2.90 0.39 1.58 -0.25 0.00 0.00 175.29 174.80 1p8g n HIS 15 N -4.33 -0.98 0.00 0.91 -0.00 -1.26 -5.02 115.22 104.53 1p8g n HIS 15 Ca 0.05 0.33 0.00 0.00 0.46 0.00 0.00 57.72 58.57 1p8g n HIS 15 Cb 0.55 -2.43 0.00 0.00 -0.12 0.00 0.00 29.99 28.00 1p8g n HIS 15 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1p8g n VAL 17 N -0.84 3.43 0.01 0.00 0.31 -1.26 -2.93 118.33 117.04 1p8g n VAL 17 Ca 0.00 -1.99 0.00 0.00 -0.01 0.00 0.00 64.34 62.34 1p8g n VAL 17 Cb 0.00 -2.34 0.00 0.00 -0.91 0.00 0.00 33.84 30.59 1p8g n VAL 17 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1p8g n LYS 18 N 3.55 0.00 0.12 5.55 0.00 -1.26 -4.91 118.16 121.21 1p8g n LYS 18 Ca 0.61 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.79 1p8g n LYS 18 Cb 0.31 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.28 1p8g n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1p8g h ALA 19 N 0.00 -0.49 0.00 0.58 0.00 -1.37 0.56 119.26 118.54 1p8g h ALA 19 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1p8g h ALA 19 Cb 0.00 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1p8g h ALA 19 CO 0.00 -0.83 0.00 0.28 0.00 0.00 0.00 179.25 178.70 1p8g h VAL 20 N -0.51 0.00 0.00 0.00 2.07 -1.81 -1.76 116.25 114.25 1p8g h VAL 20 Ca 0.03 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1p8g h VAL 20 Cb 0.53 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1p8g h VAL 20 CO -0.16 0.00 0.00 1.21 0.02 0.00 0.00 177.57 178.64 1p8g n GLU 21 N -3.01 0.00 -0.32 1.57 0.00 -0.17 -4.17 120.64 114.53 1p8g n GLU 21 Ca -0.01 0.19 0.04 0.00 0.00 0.00 0.00 57.16 57.38 1p8g n GLU 21 Cb 0.19 -0.72 0.12 0.00 0.00 0.00 0.00 31.44 31.03 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 0.10 0.32 6.31 2.02 0.09 0.27 112.91 122.03 1p8g h THR 22 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1p8g h THR 22 Cb 0.00 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 1p8g h THR 22 CO 0.00 0.00 -0.44 0.28 0.37 0.00 0.00 175.52 175.73 1p8g h SER 23 N 0.00 -1.24 -0.60 4.18 0.02 -1.52 0.22 113.55 114.62 1p8g h SER 23 Ca 0.43 0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 61.43 1p8g h SER 23 Cb 0.66 0.43 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 1p8g h SER 23 CO -0.92 -0.56 0.13 0.58 -1.14 0.00 0.00 176.83 174.92 1p8g h VAL 24 N -0.81 1.25 0.00 2.27 2.07 -1.44 -1.58 116.25 118.02 1p8g h VAL 24 Ca -0.02 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1p8g h VAL 24 Cb 0.75 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1p8g h VAL 24 CO -0.14 0.35 0.00 0.61 0.02 0.00 0.00 177.57 178.42 1p8g n GLY 25 N -0.72 -0.77 0.19 2.17 0.00 0.84 -1.60 105.19 105.30 1p8g n GLY 25 Ca 0.04 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 -6.26 1.61 4.39 0.47 -3.45 114.58 111.34 1p8g h GLU 26 Ca 0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 1p8g h GLU 26 Cb 0.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1p8g h GLU 26 CO 0.00 0.16 1.14 -0.51 -1.16 0.00 0.00 179.01 178.64 1p8g s LEU 27 N -6.22 4.09 0.43 1.33 1.43 -0.63 -4.86 118.68 114.25 1p8g s LEU 27 Ca 0.05 1.97 0.24 0.00 -1.03 0.00 0.00 54.13 55.37 1p8g s LEU 27 Cb 0.06 -3.53 1.26 0.00 0.03 0.00 0.00 46.19 44.01 1p8g s LEU 27 CO 0.70 -1.14 1.73 -0.78 0.23 0.00 0.00 176.35 177.10 1p8g h ASP 28 N 10.43 0.32 -0.15 2.29 3.58 -1.88 0.50 116.42 131.52 1p8g h ASP 28 Ca -0.37 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1p8g h ASP 28 Cb 1.17 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1p8g h ASP 28 CO 0.97 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.95 1p8g n GLY 29 N -1.53 -0.03 3.79 -0.78 0.00 -1.26 -4.92 105.19 100.45 1p8g n GLY 29 Ca 0.29 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.81 3.64 0.00 1.61 0.11 0.16 -0.49 120.40 123.62 1p8g s VAL 30 Ca 0.27 0.57 0.00 0.00 -2.93 0.00 0.00 61.98 59.90 1p8g s VAL 30 Cb 0.14 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.83 1p8g s VAL 30 CO 0.21 -0.66 0.00 -1.20 -3.33 0.00 0.00 175.10 170.13 1p8g n SER 31 N -3.13 1.42 -3.89 3.54 7.64 0.11 -4.87 113.62 114.43 1p8g n SER 31 Ca 0.09 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.86 1p8g n SER 31 Cb 0.53 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.62 1p8g n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p8g s ALA 32 N -1.82 -0.16 -0.38 -0.43 0.00 0.12 -4.93 121.76 114.16 1p8g s ALA 32 Ca 0.00 -0.14 0.12 0.00 0.00 0.00 0.00 51.96 51.94 1p8g s ALA 32 Cb 0.00 0.04 0.38 0.00 0.00 0.00 0.00 23.12 23.53 1p8g s ALA 32 CO 0.00 -0.14 0.90 1.33 0.00 0.00 0.00 175.76 177.85 1p8g n VAL 33 N 1.99 0.16 -1.96 0.00 0.24 -1.23 -0.93 118.33 116.60 1p8g n VAL 33 Ca -0.20 -3.42 -0.42 0.00 -2.04 0.00 0.00 64.34 58.26 1p8g n VAL 33 Cb 0.57 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 1p8g n VAL 33 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1p8g n HIS 34 N 0.14 3.48 -1.69 6.34 8.25 0.73 -4.88 115.22 127.59 1p8g n HIS 34 Ca 0.15 -2.93 -0.43 0.00 -0.26 0.00 0.00 57.72 54.25 1p8g n HIS 34 Cb 0.72 -2.40 -0.03 0.00 1.12 0.00 0.00 29.99 29.40 1p8g n HIS 34 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1p8g n VAL 35 N 4.72 0.27 -2.96 1.59 3.14 -1.26 -1.39 118.33 122.43 1p8g n VAL 35 Ca 0.48 -0.05 -0.14 0.00 -2.96 0.00 0.00 64.34 61.68 1p8g n VAL 35 Cb 0.39 -1.98 0.01 0.00 -1.06 0.00 0.00 33.84 31.20 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 5.11 0.30 0.27 6.55 3.02 0.24 -4.94 115.26 125.81 1p8g n ASN 36 Ca 0.18 -3.01 0.13 0.00 -0.03 0.00 0.00 54.58 51.85 1p8g n ASN 36 Cb 0.35 -0.10 0.75 0.00 -0.61 0.00 0.00 39.78 40.17 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 2.93 0.00 -1.12 3.41 8.10 -1.82 0.23 115.31 127.03 1p8g h LEU 37 Ca -0.00 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.90 1p8g h LEU 37 Cb 1.06 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.27 1p8g h LEU 37 CO 0.41 0.10 -0.30 -0.33 -4.11 0.00 0.00 178.44 174.21 1p8g h GLU 38 N 0.00 0.24 0.00 0.17 5.08 -1.93 -1.94 114.58 116.19 1p8g h GLU 38 Ca -0.00 -0.09 -0.18 0.00 -1.00 0.00 0.00 59.36 58.09 1p8g h GLU 38 Cb 0.31 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1p8g h GLU 38 CO 0.01 0.52 -0.86 0.00 -1.00 0.00 0.00 179.01 177.69 1p8g h ALA 39 N 1.48 0.50 0.00 3.43 0.00 -1.09 -3.48 119.26 120.11 1p8g h ALA 39 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1p8g h ALA 39 Cb 0.64 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1p8g h ALA 39 CO 0.05 1.07 0.00 0.41 0.00 0.00 0.00 179.25 180.78 1p8g n GLY 40 N 1.16 1.33 3.29 0.00 0.00 0.13 -5.10 105.19 105.99 1p8g n GLY 40 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.02 1.51 -0.26 1.61 1.02 -0.91 -4.63 119.74 118.05 1p8g s LYS 41 Ca 0.00 -1.77 -0.06 0.00 0.02 0.00 0.00 55.97 54.17 1p8g s LYS 41 Cb 0.00 0.32 0.13 0.00 -0.52 0.00 0.00 37.83 37.77 1p8g s LYS 41 CO 0.00 -0.55 0.52 0.54 -0.92 0.00 0.00 175.35 174.94 1p8g s VAL 42 N -3.76 -0.82 -0.60 3.17 0.11 -1.26 -0.59 120.40 116.64 1p8g s VAL 42 Ca 0.38 0.03 -0.20 0.00 -2.93 0.00 0.00 61.98 59.26 1p8g s VAL 42 Cb 0.04 -0.87 0.08 0.00 -1.53 0.00 0.00 36.38 34.10 1p8g s VAL 42 CO 0.19 -0.00 0.79 -0.62 -3.33 0.00 0.00 175.10 172.12 1p8g s ASP 43 N 2.74 6.20 -0.30 3.54 -1.08 -0.49 -3.48 116.67 123.80 1p8g s ASP 43 Ca 0.05 -1.14 0.00 0.00 -0.52 0.00 0.00 52.55 50.95 1p8g s ASP 43 Cb -0.13 -2.35 0.06 0.00 -1.46 0.00 0.00 42.92 39.04 1p8g s ASP 43 CO -0.17 -1.19 -0.01 0.68 0.52 0.00 0.00 175.17 175.00 1p8g s VAL 44 N 3.21 2.71 -0.32 1.11 -7.23 0.56 -0.19 120.40 120.24 1p8g s VAL 44 Ca 0.17 -1.62 -0.13 0.00 -1.81 0.00 0.00 61.98 58.58 1p8g s VAL 44 Cb -0.20 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 1p8g s VAL 44 CO 0.09 -0.19 0.28 -0.55 -0.31 0.00 0.00 175.10 174.42 1p8g s SER 45 N 1.23 6.11 0.11 4.85 0.15 -0.11 -1.01 113.70 125.02 1p8g s SER 45 Ca -0.03 -0.23 -0.10 0.00 0.70 0.00 0.00 55.95 56.29 1p8g s SER 45 Cb -0.20 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 1p8g s SER 45 CO -0.03 -0.23 0.24 0.72 1.20 0.00 0.00 173.24 175.14 1p8g s PHE 46 N 1.85 0.15 -1.15 3.44 -0.12 -1.00 0.04 117.98 121.20 1p8g s PHE 46 Ca 0.09 -0.55 -0.14 0.00 -0.05 0.00 0.00 56.93 56.28 1p8g s PHE 46 Cb -0.17 -0.01 0.18 0.00 -0.63 0.00 0.00 43.02 42.39 1p8g s PHE 46 CO 0.11 -0.60 1.33 0.34 -0.05 0.00 0.00 175.22 176.35 1p8g s ASP 47 N -2.87 7.04 0.35 1.98 2.15 0.35 -2.57 116.67 123.10 1p8g s ASP 47 Ca 0.07 -2.94 0.18 0.00 0.43 0.00 0.00 52.55 50.29 1p8g s ASP 47 Cb 0.04 -2.37 1.24 0.00 -0.30 0.00 0.00 42.92 41.53 1p8g s ASP 47 CO -0.09 -0.72 1.54 0.00 -0.17 0.00 0.00 175.17 175.73 1p8g n ALA 48 N 5.32 0.94 -0.04 3.66 0.00 -1.21 -1.11 120.51 128.07 1p8g n ALA 48 Ca 0.33 1.00 -0.10 0.00 0.00 0.00 0.00 53.44 54.67 1p8g n ALA 48 Cb 0.43 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 1p8g n ALA 48 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1p8g h ASP 49 N 0.00 -1.03 0.20 0.00 5.19 -1.98 -2.61 116.42 116.19 1p8g h ASP 49 Ca 0.80 0.16 -0.33 0.00 -0.62 0.00 0.00 57.03 57.04 1p8g h ASP 49 Cb 2.06 0.45 0.02 0.00 0.18 0.00 0.00 39.33 42.04 1p8g h ASP 49 CO -0.77 -0.35 -1.57 0.50 -3.12 0.00 0.00 179.24 173.93 1p8g h LYS 50 N -0.35 0.42 -3.35 3.56 3.64 -1.52 -3.43 116.57 115.54 1p8g h LYS 50 Ca 0.12 -0.72 -0.53 0.00 -1.27 0.00 0.00 60.65 58.24 1p8g h LYS 50 Cb 0.54 0.27 -0.40 0.00 -0.41 0.00 0.00 32.23 32.23 1p8g h LYS 50 CO -0.41 1.35 -0.76 0.14 -2.27 0.00 0.00 179.45 177.49 1p8g s VAL 51 N -2.56 0.45 0.57 2.00 -7.23 -0.32 -5.11 120.40 108.19 1p8g s VAL 51 Ca -0.14 -0.80 -0.20 0.00 -1.81 0.00 0.00 61.98 59.03 1p8g s VAL 51 Cb 0.04 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 1p8g s VAL 51 CO 0.87 -0.45 1.25 -0.44 -0.31 0.00 0.00 175.10 176.02 1p8g s SER 52 N 1.87 5.28 0.11 4.85 0.01 -0.99 -3.32 113.70 121.51 1p8g s SER 52 Ca 0.04 2.49 -0.07 0.00 1.31 0.00 0.00 55.95 59.72 1p8g s SER 52 Cb -0.17 -2.61 0.14 0.00 0.21 0.00 0.00 66.02 63.60 1p8g s SER 52 CO -0.19 -1.54 0.72 0.52 0.41 0.00 0.00 173.24 173.17 1p8g n VAL 53 N -1.34 -0.23 0.07 3.43 0.31 -1.26 0.67 118.33 119.98 1p8g n VAL 53 Ca 0.12 1.08 -0.15 0.00 -0.01 0.00 0.00 64.34 65.39 1p8g n VAL 53 Cb 0.48 -1.45 -0.09 0.00 -0.91 0.00 0.00 33.84 31.87 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 -0.63 -0.89 5.55 3.64 -1.98 0.11 116.57 122.37 1p8g h LYS 54 Ca 0.18 0.04 0.24 0.00 -1.27 0.00 0.00 60.65 59.85 1p8g h LYS 54 Cb 0.30 0.14 -0.15 0.00 -0.41 0.00 0.00 32.23 32.11 1p8g h LYS 54 CO -0.47 -0.42 0.22 0.22 -2.27 0.00 0.00 179.45 176.73 1p8g h ASP 55 N -0.65 -0.05 -0.25 4.20 1.82 -0.08 0.29 116.42 121.70 1p8g h ASP 55 Ca 0.00 0.21 -0.05 0.00 -0.39 0.00 0.00 57.03 56.80 1p8g h ASP 55 Cb 0.68 0.29 -0.01 0.00 0.68 0.00 0.00 39.33 40.98 1p8g h ASP 55 CO -0.31 -0.19 -0.05 0.40 -1.61 0.00 0.00 179.24 177.49 1p8g h ILE 56 N 0.17 1.28 -0.44 2.25 1.08 0.16 0.17 117.51 122.18 1p8g h ILE 56 Ca 0.56 -1.03 -0.03 0.00 -0.39 0.00 0.00 64.86 63.98 1p8g h ILE 56 Cb 1.16 1.45 -0.02 0.00 -3.07 0.00 0.00 36.82 36.34 1p8g h ILE 56 CO -0.69 0.32 0.17 0.00 -0.69 0.00 0.00 178.15 177.26 1p8g h ALA 57 N 0.77 0.57 -0.99 1.87 0.00 0.84 -2.14 119.26 120.18 1p8g h ALA 57 Ca 0.06 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.94 1p8g h ALA 57 Cb 0.50 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 1p8g h ALA 57 CO 0.02 0.19 0.63 -0.44 0.00 0.00 0.00 179.25 179.65 1p8g h ASP 58 N 0.57 0.91 -0.13 0.00 3.32 -0.28 0.20 116.42 121.01 1p8g h ASP 58 Ca 0.15 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1p8g h ASP 58 Cb 0.21 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1p8g h ASP 58 CO -0.01 0.48 0.09 0.00 -1.72 0.00 0.00 179.24 178.08 1p8g h ALA 59 N 1.54 1.90 -0.15 3.45 0.00 -0.29 0.35 119.26 126.07 1p8g h ALA 59 Ca 0.49 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 1p8g h ALA 59 Cb 0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1p8g h ALA 59 CO -0.26 0.09 -0.00 0.82 0.00 0.00 0.00 179.25 179.90 1p8g h ILE 60 N 0.18 1.25 0.00 0.00 5.03 -0.43 -3.24 117.51 120.30 1p8g h ILE 60 Ca 0.05 -0.84 -0.02 0.00 -0.12 0.00 0.00 64.86 63.93 1p8g h ILE 60 Cb -0.02 1.52 -0.00 0.00 -3.03 0.00 0.00 36.82 35.29 1p8g h ILE 60 CO -0.01 0.25 -0.07 -0.33 -0.68 0.00 0.00 178.15 177.30 1p8g h GLU 61 N -0.00 0.00 -0.35 2.37 5.08 0.43 0.20 114.58 122.32 1p8g h GLU 61 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1p8g h GLU 61 Cb 0.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1p8g h GLU 61 CO 0.01 0.07 0.12 -0.44 -1.00 0.00 0.00 179.01 177.77 1p8g h ASP 62 N 0.00 0.45 0.00 1.42 3.32 -0.55 -3.37 116.42 117.69 1p8g h ASP 62 Ca -0.00 -0.05 -0.25 0.00 0.02 0.00 0.00 57.03 56.75 1p8g h ASP 62 Cb 0.17 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1p8g h ASP 62 CO 0.01 0.42 -1.76 1.67 -1.72 0.00 0.00 179.24 177.87 1p8g n GLN 63 N -4.38 0.56 0.00 3.56 0.00 0.43 -5.08 117.38 112.46 1p8g n GLN 63 Ca 0.02 0.28 0.00 0.00 -0.00 0.00 0.00 57.00 57.30 1p8g n GLN 63 Cb 0.15 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.89 1p8g n GLN 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1p8g n GLY 64 N 1.36 5.59 2.70 1.69 0.00 0.41 -5.12 105.19 111.82 1p8g n GLY 64 Ca -0.35 -0.86 -0.06 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.98 -3.78 1.61 0.18 -1.26 -4.09 117.16 107.84 1p8g n TYR 65 Ca 0.00 -1.63 -0.28 0.00 1.88 0.00 0.00 57.90 57.87 1p8g n TYR 65 Cb 0.00 1.49 -0.11 0.00 -0.38 0.00 0.00 39.34 40.34 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 -0.25 2.80 -3.31 9.48 9.92 -1.26 -4.93 116.55 129.00 1p8g n ASP 66 Ca -0.06 -3.17 -0.07 0.00 -0.53 0.00 0.00 54.79 50.97 1p8g n ASP 66 Cb 0.77 -0.73 -0.06 0.00 -0.64 0.00 0.00 41.12 40.46 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 -1.49 -0.68 0.00 2.53 0.11 -1.26 -4.37 120.40 115.23 1p8g s VAL 67 Ca 0.28 -0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 1p8g s VAL 67 Cb -0.00 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 33.97 1p8g s VAL 67 CO -0.15 -0.13 0.53 0.00 -3.33 0.00 0.00 175.10 172.02 1p8g n ALA 68 N 5.37 -0.21 0.00 1.54 0.00 0.18 -4.86 120.51 122.53 1p8g n ALA 68 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1p8g n ALA 68 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1p8g n ALA 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1p8g n LYS 69 N -1.50 -2.13 -2.07 0.00 4.81 -0.51 -4.97 118.16 111.79 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 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1p8g n LYS 69 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1p8g s ILE 70 N -2.00 3.37 0.68 3.15 -1.09 -1.26 0.89 121.20 124.94 1p8g s ILE 70 Ca 0.00 0.78 -0.06 0.00 -2.23 0.00 0.00 60.65 59.14 1p8g s ILE 70 Cb 0.00 -3.50 0.05 0.00 -1.58 0.00 0.00 42.46 37.43 1p8g s ILE 70 CO 0.00 -0.00 0.98 -0.70 -1.23 0.00 0.00 174.94 173.99 1p8g s GLU 71 N 2.55 2.28 -0.92 2.79 -6.30 0.60 -4.70 118.70 115.00 1p8g s GLU 71 Ca 0.69 -0.28 -0.07 0.00 -2.50 0.00 0.00 54.97 52.81 1p8g s GLU 71 Cb -0.36 -2.21 -0.02 0.00 0.00 0.00 0.00 34.13 31.55 1p8g s GLU 71 CO 0.29 -1.15 0.76 0.41 0.02 0.00 0.00 175.26 175.59 1p8g n GLY 72 N -2.84 -1.17 0.00 -1.50 0.00 -1.26 -4.30 105.19 94.11 1p8g n GLY 72 Ca 0.08 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1p8g n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19