#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 0.90 -0.35 2.12 2.02 -1.16 -4.89 118.70 117.35 1p8g s GLU 2 Ca 0.00 -0.77 -0.18 0.00 0.02 0.00 0.00 54.97 54.04 1p8g s GLU 2 Cb 0.00 0.38 -0.00 0.00 0.10 0.00 0.00 34.13 34.61 1p8g s GLU 2 CO 0.00 -0.31 0.52 -1.14 0.02 0.00 0.00 175.26 174.35 1p8g s GLN 3 N -3.51 3.64 0.34 1.61 0.74 -1.26 -1.86 119.66 119.36 1p8g s GLN 3 Ca 0.02 -0.14 0.05 0.00 0.05 0.00 0.00 55.36 55.34 1p8g s GLN 3 Cb 0.02 -3.80 -0.03 0.00 1.10 0.00 0.00 33.01 30.30 1p8g s GLN 3 CO -0.09 -0.63 0.19 0.15 -0.55 0.00 0.00 175.29 174.35 1p8g s LYS 4 N 2.40 1.74 -0.21 1.67 1.02 -0.01 -4.93 119.74 121.42 1p8g s LYS 4 Ca 0.19 -2.02 0.01 0.00 0.02 0.00 0.00 55.97 54.17 1p8g s LYS 4 Cb -0.15 -0.10 0.04 0.00 -0.52 0.00 0.00 37.83 37.10 1p8g s LYS 4 CO 0.13 -0.52 -0.11 0.99 -0.92 0.00 0.00 175.35 174.92 1p8g s THR 5 N -3.45 1.77 -0.09 2.17 2.01 -1.26 -0.15 115.64 116.64 1p8g s THR 5 Ca 0.34 -1.12 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 1p8g s THR 5 Cb 0.03 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 1p8g s THR 5 CO 0.20 0.16 1.00 -1.48 -0.69 0.00 0.00 174.62 173.81 1p8g s LEU 6 N 1.33 4.26 0.09 4.42 0.05 -1.25 -1.98 118.68 125.61 1p8g s LEU 6 Ca -0.02 1.54 -0.31 0.00 0.05 0.00 0.00 54.13 55.39 1p8g s LEU 6 Cb -0.17 -3.55 -0.07 0.00 -2.05 0.00 0.00 46.19 40.36 1p8g s LEU 6 CO -0.08 -0.42 1.29 -1.58 -0.55 0.00 0.00 176.35 175.01 1p8g s GLN 7 N 1.90 4.38 -0.15 1.48 -0.44 0.82 -3.95 119.66 123.70 1p8g s GLN 7 Ca 0.48 1.93 -0.03 0.00 -2.50 0.00 0.00 55.36 55.24 1p8g s GLN 7 Cb -0.19 -3.29 -0.03 0.00 -1.64 0.00 0.00 33.01 27.87 1p8g s GLN 7 CO 0.19 -0.34 -0.05 0.14 0.50 0.00 0.00 175.29 175.73 1p8g s VAL 8 N 1.02 3.81 -1.00 1.34 -7.23 -1.26 0.10 120.40 117.18 1p8g s VAL 8 Ca 0.61 -0.39 -0.02 0.00 -1.81 0.00 0.00 61.98 60.37 1p8g s VAL 8 Cb -0.33 -2.66 0.29 0.00 0.56 0.00 0.00 36.38 34.24 1p8g s VAL 8 CO 0.30 0.50 2.00 1.21 -0.31 0.00 0.00 175.10 178.80 1p8g n GLU 9 N 3.43 4.59 -2.17 4.82 4.07 -1.24 -4.81 120.64 129.32 1p8g n GLU 9 Ca -0.17 -4.14 -0.42 0.00 -0.06 0.00 0.00 57.16 52.37 1p8g n GLU 9 Cb 0.53 -2.43 -0.03 0.00 -0.06 0.00 0.00 31.44 29.45 1p8g n GLU 9 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1p8g s GLY 10 N -0.97 1.73 0.55 8.31 0.00 -1.26 -4.71 107.32 110.96 1p8g s GLY 10 Ca 0.45 0.88 -0.03 0.00 0.00 0.00 0.00 44.72 46.02 1p8g s GLY 10 CO -0.19 2.67 0.81 -0.29 0.00 0.00 0.00 173.10 176.10 1p8g s MET 11 N 2.92 2.86 -1.07 2.90 1.75 -1.26 -4.96 119.30 122.43 1p8g s MET 11 Ca 0.66 -0.30 -0.24 0.00 -1.25 0.00 0.00 55.69 54.56 1p8g s MET 11 Cb -0.32 -2.39 -0.15 0.00 2.84 0.00 0.00 34.83 34.82 1p8g s MET 11 CO 0.26 -0.60 1.96 0.45 -0.65 0.00 0.00 175.02 176.45 1p8g n SER 12 N -2.40 2.51 -3.74 1.11 2.88 -1.26 -4.83 113.62 107.89 1p8g n SER 12 Ca 0.04 -2.64 -0.13 0.00 -1.33 0.00 0.00 58.87 54.82 1p8g n SER 12 Cb 0.58 -1.62 -0.08 0.00 -0.75 0.00 0.00 64.21 62.34 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 -1.98 2.03 -1.59 0.00 -0.21 -1.26 -4.10 119.66 112.56 1p8g s GLN 14 Ca -0.09 -0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.15 1p8g s GLN 14 Cb -0.03 -2.08 0.00 0.00 1.00 0.00 0.00 33.01 31.91 1p8g s GLN 14 CO 0.00 -1.43 0.00 0.72 -2.12 0.00 0.00 175.29 172.46 1p8g n HIS 15 N -3.11 0.00 0.08 0.91 8.25 -1.26 -4.88 115.22 115.22 1p8g n HIS 15 Ca 0.08 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.33 1p8g n HIS 15 Cb 0.61 -2.94 -0.15 0.00 1.12 0.00 0.00 29.99 28.62 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 -3.58 2.42 0.00 0.00 0.24 -1.26 -2.57 118.33 113.58 1p8g n VAL 17 Ca -0.21 -1.30 0.00 0.00 -2.04 0.00 0.00 64.34 60.79 1p8g n VAL 17 Cb 1.07 -1.99 0.00 0.00 -1.47 0.00 0.00 33.84 31.46 1p8g n VAL 17 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1p8g n LYS 18 N 3.04 0.00 -0.09 7.34 0.00 -1.26 -4.93 118.16 122.26 1p8g n LYS 18 Ca 0.38 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.63 1p8g n LYS 18 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.54 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 0.06 0.00 0.58 0.00 -1.53 0.21 119.26 118.58 1p8g h ALA 19 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1p8g h ALA 19 Cb 0.00 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1p8g h ALA 19 CO 0.00 -0.57 -0.03 0.28 0.00 0.00 0.00 179.25 178.93 1p8g h VAL 20 N -0.14 0.13 0.00 0.00 2.07 -1.90 -2.86 116.25 113.55 1p8g h VAL 20 Ca 0.17 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1p8g h VAL 20 Cb 0.40 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1p8g h VAL 20 CO -0.42 0.03 0.00 1.21 0.02 0.00 0.00 177.57 178.41 1p8g n GLU 21 N -3.21 0.00 -0.34 1.57 0.00 0.19 -4.30 120.64 114.55 1p8g n GLU 21 Ca -0.01 0.43 0.16 0.00 0.00 0.00 0.00 57.16 57.74 1p8g n GLU 21 Cb 0.20 -0.94 0.38 0.00 0.00 0.00 0.00 31.44 31.08 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 0.61 -0.26 6.31 2.02 -0.68 0.15 112.91 121.07 1p8g h THR 22 Ca 0.00 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.02 1p8g h THR 22 Cb 0.00 -0.08 -0.08 0.00 -1.74 0.00 0.00 68.15 66.26 1p8g h THR 22 CO 0.00 0.12 -0.34 0.28 0.37 0.00 0.00 175.52 175.95 1p8g h SER 23 N 0.63 -1.08 -0.18 4.18 0.02 -1.73 0.53 113.55 115.93 1p8g h SER 23 Ca 0.61 0.17 -0.17 0.00 -0.84 0.00 0.00 61.79 61.56 1p8g h SER 23 Cb 1.12 0.48 0.00 0.00 0.14 0.00 0.00 62.40 64.14 1p8g h SER 23 CO -0.41 -0.35 -0.55 0.58 -1.14 0.00 0.00 176.83 174.97 1p8g h VAL 24 N -0.34 1.31 0.00 2.27 2.07 -1.02 -2.96 116.25 117.58 1p8g h VAL 24 Ca 0.13 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1p8g h VAL 24 Cb 0.55 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1p8g h VAL 24 CO -0.44 0.56 0.08 0.61 0.02 0.00 0.00 177.57 178.40 1p8g n GLY 25 N 0.55 -0.38 0.10 2.17 0.00 0.28 -0.98 105.19 106.94 1p8g n GLY 25 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 -6.24 1.61 4.39 -0.74 -3.45 114.58 110.15 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 0.17 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1p8g h GLU 26 CO 0.00 0.75 1.05 -0.51 -1.16 0.00 0.00 179.01 179.13 1p8g s LEU 27 N -6.60 4.20 0.32 1.33 1.43 -0.15 -4.88 118.68 114.34 1p8g s LEU 27 Ca 0.02 1.96 0.11 0.00 -1.03 0.00 0.00 54.13 55.19 1p8g s LEU 27 Cb 0.09 -3.53 0.97 0.00 0.03 0.00 0.00 46.19 43.74 1p8g s LEU 27 CO 0.78 -0.95 1.67 -0.78 0.23 0.00 0.00 176.35 177.30 1p8g h ASP 28 N 9.41 0.40 0.29 2.29 3.58 -1.88 0.43 116.42 130.94 1p8g h ASP 28 Ca -0.35 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1p8g h ASP 28 Cb 1.15 0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.36 1p8g h ASP 28 CO 0.97 -0.11 0.00 0.61 -2.88 0.00 0.00 179.24 177.82 1p8g n GLY 29 N -1.32 -1.02 3.65 -0.78 0.00 -1.26 -4.87 105.19 99.60 1p8g n GLY 29 Ca 0.28 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.34 2.37 0.00 1.61 0.11 0.14 -0.36 120.40 121.93 1p8g s VAL 30 Ca 0.31 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.48 1p8g s VAL 30 Cb 0.18 -2.32 0.00 0.00 -1.53 0.00 0.00 36.38 32.71 1p8g s VAL 30 CO 0.36 -0.16 0.00 -0.24 -3.33 0.00 0.00 175.10 171.74 1p8g n SER 31 N -4.22 0.43 -3.89 3.54 2.88 0.12 -4.80 113.62 107.68 1p8g n SER 31 Ca 0.08 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.51 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 -1.47 -0.24 -0.39 -1.46 0.00 0.49 -4.90 121.76 113.78 1p8g s ALA 32 Ca 0.00 -0.20 0.11 0.00 0.00 0.00 0.00 51.96 51.87 1p8g s ALA 32 Cb 0.00 0.10 0.36 0.00 0.00 0.00 0.00 23.12 23.58 1p8g s ALA 32 CO 0.00 -0.19 0.91 1.33 0.00 0.00 0.00 175.76 177.81 1p8g n VAL 33 N 1.55 0.05 -2.62 0.00 0.24 -1.22 -0.94 118.33 115.38 1p8g n VAL 33 Ca -0.23 -3.30 -0.42 0.00 -2.04 0.00 0.00 64.34 58.35 1p8g n VAL 33 Cb 0.56 0.44 -0.03 0.00 -1.47 0.00 0.00 33.84 33.34 1p8g n VAL 33 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1p8g s HIS 34 N -1.59 2.66 -0.35 6.34 2.46 0.54 -4.89 115.29 120.45 1p8g s HIS 34 Ca 0.32 -1.02 -0.29 0.00 0.47 0.00 0.00 55.06 54.55 1p8g s HIS 34 Cb 0.35 -4.64 -0.01 0.00 -0.13 0.00 0.00 32.58 28.16 1p8g s HIS 34 CO -0.06 -1.85 1.58 0.54 -2.47 0.00 0.00 174.74 172.48 1p8g s VAL 35 N 4.52 3.72 -0.37 0.89 0.11 -1.26 -1.05 120.40 126.96 1p8g s VAL 35 Ca 0.45 0.75 0.13 0.00 -2.93 0.00 0.00 61.98 60.38 1p8g s VAL 35 Cb -0.00 -3.92 0.37 0.00 -1.53 0.00 0.00 36.38 31.30 1p8g s VAL 35 CO -0.08 -0.55 0.82 0.59 -3.33 0.00 0.00 175.10 172.55 1p8g n ASN 36 N 9.27 0.65 0.32 3.54 4.13 -1.16 -4.96 115.26 127.04 1p8g n ASN 36 Ca 0.19 -2.98 0.19 0.00 1.68 0.00 0.00 54.58 53.66 1p8g n ASN 36 Cb 0.47 -0.36 1.08 0.00 -1.54 0.00 0.00 39.78 39.43 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 2.97 0.00 -1.54 3.41 8.10 -1.90 0.31 115.31 126.67 1p8g h LEU 37 Ca 0.03 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.00 1p8g h LEU 37 Cb 1.03 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.24 1p8g h LEU 37 CO 0.46 0.00 0.06 -0.33 -4.11 0.00 0.00 178.44 174.52 1p8g h GLU 38 N 0.00 0.36 0.00 0.17 5.08 -1.93 0.11 114.58 118.37 1p8g h GLU 38 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1p8g h GLU 38 Cb 0.01 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1p8g h GLU 38 CO 0.00 0.34 0.00 0.00 -1.00 0.00 0.00 179.01 178.35 1p8g n ALA 39 N -2.49 2.47 -1.05 3.43 0.00 0.11 -4.90 120.51 118.08 1p8g n ALA 39 Ca 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.29 1p8g n ALA 39 Cb 0.16 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.11 1p8g n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p8g n GLY 40 N 1.29 0.53 3.18 0.00 0.00 0.38 -4.99 105.19 105.58 1p8g n GLY 40 Ca 0.14 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.35 0.34 -0.11 1.61 1.02 -1.19 -4.53 119.74 115.53 1p8g s LYS 41 Ca 0.00 0.53 0.02 0.00 0.02 0.00 0.00 55.97 56.54 1p8g s LYS 41 Cb 0.00 0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 37.37 1p8g s LYS 41 CO 0.00 -0.09 -0.18 0.08 -0.92 0.00 0.00 175.35 174.24 1p8g s VAL 42 N 0.65 2.63 -0.59 3.17 1.01 -1.25 -2.98 120.40 123.04 1p8g s VAL 42 Ca -0.04 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 1p8g s VAL 42 Cb -0.05 -2.06 0.15 0.00 0.00 0.00 0.00 36.38 34.42 1p8g s VAL 42 CO -0.04 0.55 0.49 -1.81 0.00 0.00 0.00 175.10 174.28 1p8g s ASP 43 N 0.21 5.99 -0.32 3.32 1.11 -0.22 -3.80 116.67 122.96 1p8g s ASP 43 Ca -0.11 -2.20 -0.05 0.00 0.18 0.00 0.00 52.55 50.37 1p8g s ASP 43 Cb -0.16 -2.08 0.04 0.00 1.07 0.00 0.00 42.92 41.79 1p8g s ASP 43 CO 0.06 -0.66 0.06 0.68 1.18 0.00 0.00 175.17 176.50 1p8g s VAL 44 N 0.93 3.48 -0.24 -1.27 -7.23 0.78 -0.34 120.40 116.52 1p8g s VAL 44 Ca 0.10 -1.20 -0.12 0.00 -1.81 0.00 0.00 61.98 58.94 1p8g s VAL 44 Cb -0.22 -2.97 -0.05 0.00 0.56 0.00 0.00 36.38 33.70 1p8g s VAL 44 CO -0.02 -0.13 0.24 -0.55 -0.31 0.00 0.00 175.10 174.33 1p8g s SER 45 N 1.35 6.19 0.04 4.85 0.15 -0.12 -0.83 113.70 125.33 1p8g s SER 45 Ca -0.03 0.21 -0.20 0.00 0.70 0.00 0.00 55.95 56.63 1p8g s SER 45 Cb -0.19 -2.15 0.04 0.00 -1.71 0.00 0.00 66.02 62.01 1p8g s SER 45 CO 0.01 -0.01 0.46 0.72 1.20 0.00 0.00 173.24 175.62 1p8g s PHE 46 N 1.33 -0.34 -1.20 3.44 -0.12 -0.78 0.10 117.98 120.41 1p8g s PHE 46 Ca 0.11 0.37 -0.20 0.00 -0.05 0.00 0.00 56.93 57.16 1p8g s PHE 46 Cb -0.14 0.27 0.04 0.00 -0.63 0.00 0.00 43.02 42.56 1p8g s PHE 46 CO 0.07 -0.59 1.69 0.34 -0.05 0.00 0.00 175.22 176.68 1p8g s ASP 47 N -1.92 6.49 0.50 1.98 2.15 0.51 -2.99 116.67 123.40 1p8g s ASP 47 Ca -0.06 -2.04 0.40 0.00 0.43 0.00 0.00 52.55 51.28 1p8g s ASP 47 Cb -0.01 -2.58 1.58 0.00 -0.30 0.00 0.00 42.92 41.61 1p8g s ASP 47 CO -0.01 -1.52 1.63 0.00 -0.17 0.00 0.00 175.17 175.10 1p8g h ALA 48 N 8.53 3.27 -0.24 3.66 0.00 -1.86 0.66 119.26 133.28 1p8g h ALA 48 Ca 0.35 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.07 1p8g h ALA 48 Cb 0.92 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1p8g h ALA 48 CO 1.42 -1.83 -0.63 -0.44 0.00 0.00 0.00 179.25 177.77 1p8g h ASP 49 N 0.04 0.96 0.08 0.00 5.19 -1.95 -3.17 116.42 117.58 1p8g h ASP 49 Ca 0.84 -0.57 -0.34 0.00 -0.62 0.00 0.00 57.03 56.33 1p8g h ASP 49 Cb 3.04 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 42.24 1p8g h ASP 49 CO -0.19 1.36 -1.92 1.17 -3.12 0.00 0.00 179.24 176.55 1p8g n LYS 50 N -3.99 0.70 -3.83 3.56 4.81 -0.66 -4.83 118.16 113.92 1p8g n LYS 50 Ca -0.06 0.32 -0.29 0.00 -0.87 0.00 0.00 58.31 57.41 1p8g n LYS 50 Cb 0.67 -1.69 -0.16 0.00 0.02 0.00 0.00 35.03 33.87 1p8g n LYS 50 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1p8g s VAL 51 N -2.51 1.00 0.54 3.15 -7.23 0.14 -5.13 120.40 110.36 1p8g s VAL 51 Ca -0.26 -0.92 -0.22 0.00 -1.81 0.00 0.00 61.98 58.78 1p8g s VAL 51 Cb 0.07 -1.43 -0.05 0.00 0.56 0.00 0.00 36.38 35.54 1p8g s VAL 51 CO 0.71 -0.20 1.31 -0.44 -0.31 0.00 0.00 175.10 176.17 1p8g s SER 52 N 1.63 5.37 0.34 4.85 0.01 -1.20 -2.98 113.70 121.73 1p8g s SER 52 Ca -0.02 2.66 0.17 0.00 1.31 0.00 0.00 55.95 60.07 1p8g s SER 52 Cb -0.18 -2.63 1.18 0.00 0.21 0.00 0.00 66.02 64.61 1p8g s SER 52 CO -0.08 -1.49 1.46 1.33 0.41 0.00 0.00 173.24 174.87 1p8g n VAL 53 N -1.02 -0.39 -0.01 3.43 0.24 -1.26 0.67 118.33 119.99 1p8g n VAL 53 Ca 0.10 1.90 -0.11 0.00 -2.04 0.00 0.00 64.34 64.19 1p8g n VAL 53 Cb 0.46 -3.04 -0.06 0.00 -1.47 0.00 0.00 33.84 29.72 1p8g n VAL 53 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1p8g h LYS 54 N 0.00 0.14 -0.79 7.34 3.64 -1.98 0.11 116.57 125.03 1p8g h LYS 54 Ca 0.76 -0.02 0.18 0.00 -1.27 0.00 0.00 60.65 60.30 1p8g h LYS 54 Cb 1.97 -0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 33.64 1p8g h LYS 54 CO -0.73 0.22 0.22 0.22 -2.27 0.00 0.00 179.45 177.11 1p8g h ASP 55 N 0.02 0.05 -0.38 4.20 1.82 -0.08 0.21 116.42 122.25 1p8g h ASP 55 Ca 0.03 0.16 -0.06 0.00 -0.39 0.00 0.00 57.03 56.77 1p8g h ASP 55 Cb 0.13 0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.33 1p8g h ASP 55 CO -0.00 -0.05 -0.00 0.40 -1.61 0.00 0.00 179.24 177.97 1p8g h ILE 56 N 0.28 1.26 0.09 2.25 1.08 -0.93 0.11 117.51 121.66 1p8g h ILE 56 Ca 0.46 -1.01 0.01 0.00 -0.39 0.00 0.00 64.86 63.93 1p8g h ILE 56 Cb 0.83 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.72 1p8g h ILE 56 CO -0.54 0.34 -0.11 0.00 -0.69 0.00 0.00 178.15 177.15 1p8g h ALA 57 N 0.88 -0.20 -0.49 1.87 0.00 0.11 -1.61 119.26 119.82 1p8g h ALA 57 Ca 0.11 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1p8g h ALA 57 Cb 0.48 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1p8g h ALA 57 CO 0.02 -0.63 0.32 -0.44 0.00 0.00 0.00 179.25 178.52 1p8g h ASP 58 N -0.23 0.51 -0.37 0.00 5.19 -0.51 0.97 116.42 121.99 1p8g h ASP 58 Ca 0.01 -0.01 0.07 0.00 -0.62 0.00 0.00 57.03 56.48 1p8g h ASP 58 Cb 0.23 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 1p8g h ASP 58 CO -0.04 0.36 0.26 0.00 -3.12 0.00 0.00 179.24 176.70 1p8g h ALA 59 N 1.71 2.09 -0.48 3.45 0.00 0.20 0.20 119.26 126.42 1p8g h ALA 59 Ca 0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1p8g h ALA 59 Cb 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1p8g h ALA 59 CO -0.05 -0.17 0.14 0.82 0.00 0.00 0.00 179.25 179.99 1p8g h ILE 60 N 0.20 1.23 -0.06 0.00 5.03 -0.41 -2.96 117.51 120.55 1p8g h ILE 60 Ca 0.17 -0.79 0.02 0.00 -0.12 0.00 0.00 64.86 64.14 1p8g h ILE 60 Cb 0.41 0.83 -0.00 0.00 -3.03 0.00 0.00 36.82 35.02 1p8g h ILE 60 CO -0.03 0.29 0.04 -0.33 -0.68 0.00 0.00 178.15 177.44 1p8g h GLU 61 N 0.65 0.00 -0.04 2.37 5.08 -0.56 0.35 114.58 122.43 1p8g h GLU 61 Ca 0.15 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1p8g h GLU 61 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1p8g h GLU 61 CO -0.00 0.00 0.03 0.22 -1.00 0.00 0.00 179.01 178.26 1p8g h ASP 62 N 0.00 0.00 0.00 1.42 3.58 -1.14 -3.37 116.42 116.90 1p8g h ASP 62 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1p8g h ASP 62 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1p8g h ASP 62 CO -0.00 0.00 -0.25 1.67 -2.88 0.00 0.00 179.24 177.78 1p8g n GLN 63 N -4.45 0.13 0.00 0.28 7.27 -0.03 -5.10 117.38 115.48 1p8g n GLN 63 Ca -0.02 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.10 1p8g n GLN 63 Cb 0.13 -0.61 0.00 0.00 2.41 0.00 0.00 30.24 32.17 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 2.59 2.90 2.59 1.69 0.00 0.10 -5.10 105.19 109.96 1p8g n GLY 64 Ca -0.04 -1.98 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 1p8g n GLY 64 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1p8g n TYR 65 N 0.00 -1.47 -3.03 1.61 4.01 -1.26 -4.01 117.16 113.01 1p8g n TYR 65 Ca 0.00 -2.57 -0.18 0.00 -0.16 0.00 0.00 57.90 54.98 1p8g n TYR 65 Cb 0.00 0.85 -0.02 0.00 -0.31 0.00 0.00 39.34 39.86 1p8g n TYR 65 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1p8g n ASP 66 N 0.05 1.67 -3.17 7.72 9.92 -1.26 -4.84 116.55 126.64 1p8g n ASP 66 Ca 0.09 -3.09 -0.19 0.00 -0.53 0.00 0.00 54.79 51.06 1p8g n ASP 66 Cb 0.74 -0.59 -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 0.55 0.13 0.00 0.00 177.20 177.88 1p8g n VAL 67 N 0.11 -0.79 0.08 2.53 3.14 -1.26 -3.64 118.33 118.50 1p8g n VAL 67 Ca 0.24 -2.63 -0.13 0.00 -2.96 0.00 0.00 64.34 58.86 1p8g n VAL 67 Cb 0.65 -0.74 -0.08 0.00 -1.06 0.00 0.00 33.84 32.60 1p8g n VAL 67 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1p8g h ALA 68 N 5.32 -0.91 0.00 1.55 0.00 -0.66 -3.48 119.26 121.09 1p8g h ALA 68 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1p8g h ALA 68 Cb 0.98 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1p8g h ALA 68 CO 0.26 -1.02 0.00 1.63 0.00 0.00 0.00 179.25 180.12 1p8g n LYS 69 N -4.93 -0.66 -1.99 0.00 5.02 -0.92 -4.94 118.16 109.74 1p8g n LYS 69 Ca -0.07 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.80 1p8g n LYS 69 Cb 0.34 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.32 1p8g n LYS 69 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1p8g s ILE 70 N -1.94 3.30 0.22 -0.18 -1.09 -1.26 -0.13 121.20 120.13 1p8g s ILE 70 Ca 0.00 0.63 -0.04 0.00 -2.23 0.00 0.00 60.65 59.00 1p8g s ILE 70 Cb 0.00 -3.40 -0.05 0.00 -1.58 0.00 0.00 42.46 37.42 1p8g s ILE 70 CO 0.00 -0.02 0.47 -1.61 -1.23 0.00 0.00 174.94 172.55 1p8g s GLU 71 N 3.09 3.62 -0.31 2.79 0.41 -0.84 -4.68 118.70 122.78 1p8g s GLU 71 Ca 0.73 -0.07 -0.10 0.00 -0.41 0.00 0.00 54.97 55.11 1p8g s GLU 71 Cb -0.37 -2.75 0.01 0.00 -1.78 0.00 0.00 34.13 29.25 1p8g s GLU 71 CO 0.31 0.34 0.39 0.41 -0.49 0.00 0.00 175.26 176.22 1p8g n GLY 72 N -0.49 -1.56 0.00 -1.39 0.00 -1.26 -4.63 105.19 95.85 1p8g n GLY 72 Ca -0.02 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.83 1p8g n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19