#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 2.50 -1.05 3.17 0.41 0.52 -4.89 118.70 119.37 1p8g s GLU 2 Ca 0.00 -1.08 -0.23 0.00 -0.41 0.00 0.00 54.97 53.26 1p8g s GLU 2 Cb 0.00 -2.70 0.05 0.00 -1.78 0.00 0.00 34.13 29.70 1p8g s GLU 2 CO 0.00 -0.41 1.50 -0.65 -0.49 0.00 0.00 175.26 175.21 1p8g s GLN 3 N 1.21 3.59 0.43 1.61 -0.21 -1.26 -1.55 119.66 123.48 1p8g s GLN 3 Ca -0.02 -1.18 0.03 0.00 0.02 0.00 0.00 55.36 54.21 1p8g s GLN 3 Cb -0.17 -5.37 -0.03 0.00 1.00 0.00 0.00 33.01 28.44 1p8g s GLN 3 CO -0.09 -2.27 0.06 0.15 -2.12 0.00 0.00 175.29 171.02 1p8g s LYS 4 N 4.99 1.98 -0.26 2.91 1.02 -1.07 -4.94 119.74 124.36 1p8g s LYS 4 Ca 0.48 -2.20 0.03 0.00 0.02 0.00 0.00 55.97 54.30 1p8g s LYS 4 Cb 0.00 -1.08 0.06 0.00 -0.52 0.00 0.00 37.83 36.30 1p8g s LYS 4 CO -0.08 -0.34 -0.10 0.99 -0.92 0.00 0.00 175.35 174.90 1p8g s THR 5 N -3.06 2.21 -0.67 2.17 2.01 -1.26 -0.92 115.64 116.12 1p8g s THR 5 Ca 0.21 -1.65 -0.26 0.00 0.31 0.00 0.00 61.69 60.30 1p8g s THR 5 Cb 0.04 -2.31 0.04 0.00 0.01 0.00 0.00 72.50 70.28 1p8g s THR 5 CO 0.11 -0.05 1.14 -0.22 -0.69 0.00 0.00 174.62 174.91 1p8g s LEU 6 N 1.10 3.64 0.07 4.42 0.20 -1.24 -2.04 118.68 124.82 1p8g s LEU 6 Ca -0.08 -0.48 -0.31 0.00 0.69 0.00 0.00 54.13 53.95 1p8g s LEU 6 Cb -0.20 -2.66 -0.09 0.00 -0.43 0.00 0.00 46.19 42.81 1p8g s LEU 6 CO -0.05 -1.60 1.73 -1.58 -0.29 0.00 0.00 176.35 174.56 1p8g s GLN 7 N 4.95 4.17 0.04 1.98 -0.44 0.70 -4.35 119.66 126.72 1p8g s GLN 7 Ca 0.32 2.42 0.06 0.00 -2.50 0.00 0.00 55.36 55.66 1p8g s GLN 7 Cb -0.11 -3.69 -0.02 0.00 -1.64 0.00 0.00 33.01 27.55 1p8g s GLN 7 CO 0.16 -0.80 -0.17 0.08 0.50 0.00 0.00 175.29 175.06 1p8g s VAL 8 N 2.99 1.36 -0.15 1.34 1.01 -1.26 0.13 120.40 125.81 1p8g s VAL 8 Ca 0.77 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1p8g s VAL 8 Cb -0.41 -1.21 0.05 0.00 0.00 0.00 0.00 36.38 34.81 1p8g s VAL 8 CO 0.34 0.10 0.05 -1.83 0.00 0.00 0.00 175.10 173.75 1p8g s GLU 9 N -1.15 0.43 0.33 2.72 -1.05 -1.24 -4.79 118.70 113.94 1p8g s GLU 9 Ca 0.04 -0.16 0.01 0.00 -0.15 0.00 0.00 54.97 54.71 1p8g s GLU 9 Cb -0.08 -1.68 0.56 0.00 -0.44 0.00 0.00 34.13 32.48 1p8g s GLU 9 CO 0.01 -0.56 1.99 0.78 0.95 0.00 0.00 175.26 178.44 1p8g h GLY 10 N 8.32 0.99 -7.17 -3.83 0.00 -1.89 -3.42 103.07 96.08 1p8g h GLY 10 Ca -0.16 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 1p8g h GLY 10 CO 0.29 0.37 -0.17 1.03 0.00 0.00 0.00 176.54 178.07 1p8g n MET 11 N -4.42 -0.86 0.00 4.80 2.00 -1.26 -4.65 117.12 112.73 1p8g n MET 11 Ca 0.07 -0.38 0.00 0.00 0.00 0.00 0.00 57.70 57.39 1p8g n MET 11 Cb 0.04 0.33 0.00 0.00 0.00 0.00 0.00 33.22 33.59 1p8g n MET 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1p8g n SER 12 N 0.39 0.00 0.08 7.83 2.88 -1.26 -5.11 113.62 118.43 1p8g n SER 12 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1p8g n SER 12 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1p8g n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1p8g n GLN 14 N -2.81 0.00 -1.54 0.00 7.27 -1.26 -5.02 117.38 114.02 1p8g n GLN 14 Ca 0.00 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.67 1p8g n GLN 14 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 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 -2.24 2.54 0.00 3.69 8.25 -1.26 -3.58 115.22 122.62 1p8g n HIS 15 Ca 0.00 -2.01 0.00 0.00 -0.26 0.00 0.00 57.72 55.45 1p8g n HIS 15 Cb 0.00 -2.10 0.00 0.00 1.12 0.00 0.00 29.99 29.01 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 -1.93 -0.41 0.11 0.00 3.14 -1.23 0.02 118.33 118.03 1p8g n VAL 17 Ca 0.00 2.16 -0.03 0.00 -2.96 0.00 0.00 64.34 63.51 1p8g n VAL 17 Cb 0.00 -2.98 0.15 0.00 -1.06 0.00 0.00 33.84 29.94 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 0.14 0.10 1.45 -0.00 -1.91 -2.83 116.57 113.52 1p8g h LYS 18 Ca 0.44 -0.10 -0.00 0.00 -0.00 0.00 0.00 60.65 60.99 1p8g h LYS 18 Cb 0.68 0.01 0.00 0.00 -0.00 0.00 0.00 32.23 32.92 1p8g h LYS 18 CO -0.97 0.70 -0.05 0.00 -0.00 0.00 0.00 179.45 179.13 1p8g h ALA 19 N 1.28 -0.13 -0.95 0.07 0.00 -0.73 0.58 119.26 119.38 1p8g h ALA 19 Ca -0.01 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.94 1p8g h ALA 19 Cb 1.08 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 1p8g h ALA 19 CO 0.09 -0.53 0.58 0.28 0.00 0.00 0.00 179.25 179.67 1p8g h VAL 20 N -0.23 0.93 0.72 0.00 2.07 -1.49 0.83 116.25 119.09 1p8g h VAL 20 Ca -0.01 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1p8g h VAL 20 Cb 0.18 -0.10 0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1p8g h VAL 20 CO 0.02 0.17 -0.34 1.05 0.02 0.00 0.00 177.57 178.49 1p8g h GLU 21 N 0.94 -0.93 -0.59 1.57 -0.00 -1.13 -1.81 114.58 112.63 1p8g h GLU 21 Ca 0.46 0.06 0.12 0.00 -0.00 0.00 0.00 59.36 60.00 1p8g h GLU 21 Cb 0.42 0.21 -0.11 0.00 -0.00 0.00 0.00 28.75 29.27 1p8g h GLU 21 CO -0.25 -0.59 -0.13 1.15 -0.00 0.00 0.00 179.01 179.19 1p8g h THR 22 N -1.14 0.42 0.85 -1.06 2.02 -0.63 0.32 112.91 113.70 1p8g h THR 22 Ca -0.10 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 1p8g h THR 22 Cb 0.76 0.40 0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1p8g h THR 22 CO 0.16 0.00 -0.43 0.28 0.37 0.00 0.00 175.52 175.90 1p8g h SER 23 N 0.01 -1.04 1.01 4.18 0.02 -0.59 -0.64 113.55 116.51 1p8g h SER 23 Ca 0.29 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1p8g h SER 23 Cb 0.45 0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1p8g h SER 23 CO -0.60 -0.72 0.00 0.58 -1.14 0.00 0.00 176.83 174.96 1p8g h VAL 24 N -1.17 0.00 -0.25 2.27 2.07 -1.20 -2.69 116.25 115.27 1p8g h VAL 24 Ca -0.12 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1p8g h VAL 24 Cb 0.91 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1p8g h VAL 24 CO 0.18 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.38 1p8g n GLY 25 N 0.14 0.51 0.12 2.17 0.00 0.11 -3.99 105.19 104.25 1p8g n GLY 25 Ca 0.01 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 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 2.28 0.28 -6.36 1.61 4.39 -0.80 -3.46 114.58 112.51 1p8g h GLU 26 Ca 0.00 -0.47 -0.58 0.00 0.34 0.00 0.00 59.36 58.65 1p8g h GLU 26 Cb 0.51 0.18 0.03 0.00 -0.10 0.00 0.00 28.75 29.36 1p8g h GLU 26 CO 0.00 1.23 1.09 1.28 -1.16 0.00 0.00 179.01 181.45 1p8g n LEU 27 N -4.06 3.66 -0.29 1.33 7.99 -1.26 -4.85 117.00 119.52 1p8g n LEU 27 Ca -0.18 0.97 0.19 0.00 -0.01 0.00 0.00 56.01 56.98 1p8g n LEU 27 Cb 0.85 -1.44 0.47 0.00 -0.11 0.00 0.00 43.42 43.19 1p8g n LEU 27 CO 0.46 0.01 1.22 -0.78 -1.51 0.00 0.00 177.39 176.78 1p8g h ASP 28 N 8.98 0.50 0.22 -1.43 3.58 -1.94 0.78 116.42 127.12 1p8g h ASP 28 Ca -0.48 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1p8g h ASP 28 Cb 1.25 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1p8g h ASP 28 CO 0.94 0.17 0.00 0.61 -2.88 0.00 0.00 179.24 178.08 1p8g n GLY 29 N -1.46 -0.87 3.75 -0.78 0.00 -1.26 -4.81 105.19 99.76 1p8g n GLY 29 Ca 0.22 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.31 3.03 0.00 1.61 0.11 0.26 -0.56 120.40 122.55 1p8g s VAL 30 Ca 0.27 0.40 0.00 0.00 -2.93 0.00 0.00 61.98 59.72 1p8g s VAL 30 Cb 0.15 -2.84 0.00 0.00 -1.53 0.00 0.00 36.38 32.16 1p8g s VAL 30 CO 0.30 -0.38 0.00 -1.20 -3.33 0.00 0.00 175.10 170.49 1p8g n SER 31 N -3.19 1.16 -3.88 3.54 7.64 0.10 -4.89 113.62 114.10 1p8g n SER 31 Ca 0.10 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.87 1p8g n SER 31 Cb 0.52 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.61 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 -1.72 -0.20 -0.38 -0.43 0.00 -0.45 -4.94 121.76 113.65 1p8g s ALA 32 Ca 0.00 -0.09 0.12 0.00 0.00 0.00 0.00 51.96 51.99 1p8g s ALA 32 Cb 0.00 0.02 0.36 0.00 0.00 0.00 0.00 23.12 23.50 1p8g s ALA 32 CO 0.00 -0.14 0.83 1.33 0.00 0.00 0.00 175.76 177.77 1p8g n VAL 33 N 2.02 0.01 -2.10 0.00 0.24 -1.22 -0.73 118.33 116.54 1p8g n VAL 33 Ca -0.19 -3.89 -0.42 0.00 -2.04 0.00 0.00 64.34 57.79 1p8g n VAL 33 Cb 0.57 0.13 -0.00 0.00 -1.47 0.00 0.00 33.84 33.07 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 0.23 4.01 -1.77 6.34 8.25 0.59 -4.87 115.22 127.98 1p8g n HIS 34 Ca 0.20 -2.88 -0.42 0.00 -0.26 0.00 0.00 57.72 54.35 1p8g n HIS 34 Cb 0.69 -2.58 -0.03 0.00 1.12 0.00 0.00 29.99 29.19 1p8g n HIS 34 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1p8g s VAL 35 N 3.78 3.20 -0.39 1.59 0.11 -1.26 -1.21 120.40 126.22 1p8g s VAL 35 Ca 0.51 0.24 0.10 0.00 -2.93 0.00 0.00 61.98 59.89 1p8g s VAL 35 Cb 0.09 -3.17 0.31 0.00 -1.53 0.00 0.00 36.38 32.08 1p8g s VAL 35 CO -0.01 -0.04 0.70 0.59 -3.33 0.00 0.00 175.10 173.01 1p8g n ASN 36 N 8.16 0.25 0.31 3.54 3.02 -1.22 -4.94 115.26 124.37 1p8g n ASN 36 Ca 0.21 -2.98 0.18 0.00 -0.03 0.00 0.00 54.58 51.96 1p8g n ASN 36 Cb 0.42 -0.34 0.99 0.00 -0.61 0.00 0.00 39.78 40.25 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 3.33 0.00 -0.93 3.41 8.10 -1.87 0.14 115.31 127.50 1p8g h LEU 37 Ca 0.07 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.96 1p8g h LEU 37 Cb 0.96 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.16 1p8g h LEU 37 CO 0.45 0.02 -0.27 -0.33 -4.11 0.00 0.00 178.44 174.21 1p8g h GLU 38 N 0.00 0.46 0.00 0.17 5.08 -1.92 -1.94 114.58 116.43 1p8g h GLU 38 Ca -0.00 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1p8g h GLU 38 Cb 0.09 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1p8g h GLU 38 CO 0.00 0.69 -0.37 0.00 -1.00 0.00 0.00 179.01 178.34 1p8g h ALA 39 N 1.31 0.77 0.00 3.43 0.00 -1.32 -3.48 119.26 119.97 1p8g h ALA 39 Ca 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1p8g h ALA 39 Cb 0.69 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1p8g h ALA 39 CO 0.05 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1p8g n GLY 40 N 1.17 0.71 2.97 0.00 0.00 0.26 -5.04 105.19 105.26 1p8g n GLY 40 Ca 0.02 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.51 0.42 -0.11 1.61 1.02 -0.82 -4.75 119.74 115.60 1p8g s LYS 41 Ca 0.00 0.46 -0.21 0.00 0.02 0.00 0.00 55.97 56.24 1p8g s LYS 41 Cb 0.00 -0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 37.07 1p8g s LYS 41 CO 0.00 -0.81 0.60 0.14 -0.92 0.00 0.00 175.35 174.36 1p8g s VAL 42 N 2.62 5.10 -0.66 3.17 -7.23 -1.26 -3.46 120.40 118.67 1p8g s VAL 42 Ca 0.13 1.21 -0.19 0.00 -1.81 0.00 0.00 61.98 61.32 1p8g s VAL 42 Cb -0.14 -3.94 0.12 0.00 0.56 0.00 0.00 36.38 32.98 1p8g s VAL 42 CO -0.23 0.25 0.78 -0.62 -0.31 0.00 0.00 175.10 174.97 1p8g s ASP 43 N 0.81 6.29 -0.35 4.85 -1.08 -0.35 -3.67 116.67 123.17 1p8g s ASP 43 Ca 0.31 -1.61 0.04 0.00 -0.52 0.00 0.00 52.55 50.78 1p8g s ASP 43 Cb -0.16 -2.31 0.10 0.00 -1.46 0.00 0.00 42.92 39.09 1p8g s ASP 43 CO 0.14 -1.08 0.06 0.68 0.52 0.00 0.00 175.17 175.49 1p8g s VAL 44 N 2.52 2.30 -0.32 1.11 -7.23 -0.10 -0.30 120.40 118.38 1p8g s VAL 44 Ca 0.15 -2.39 -0.19 0.00 -1.81 0.00 0.00 61.98 57.74 1p8g s VAL 44 Cb -0.20 -2.70 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 1p8g s VAL 44 CO 0.03 -0.61 0.54 -0.55 -0.31 0.00 0.00 175.10 174.20 1p8g s SER 45 N 0.85 6.38 0.01 4.85 0.15 0.10 -2.61 113.70 123.42 1p8g s SER 45 Ca 0.11 0.18 -0.11 0.00 0.70 0.00 0.00 55.95 56.84 1p8g s SER 45 Cb -0.19 -2.29 0.01 0.00 -1.71 0.00 0.00 66.02 61.84 1p8g s SER 45 CO -0.08 -0.45 0.22 0.72 1.20 0.00 0.00 173.24 174.85 1p8g s PHE 46 N 2.44 -0.03 -1.01 3.44 -0.12 -0.60 0.03 117.98 122.14 1p8g s PHE 46 Ca 0.21 -0.06 -0.19 0.00 -0.05 0.00 0.00 56.93 56.84 1p8g s PHE 46 Cb -0.15 0.01 0.12 0.00 -0.63 0.00 0.00 43.02 42.36 1p8g s PHE 46 CO 0.12 -0.37 1.27 0.34 -0.05 0.00 0.00 175.22 176.53 1p8g s ASP 47 N -1.63 6.67 0.54 1.98 -1.08 0.28 -0.35 116.67 123.08 1p8g s ASP 47 Ca -0.11 -2.07 0.38 0.00 -0.52 0.00 0.00 52.55 50.23 1p8g s ASP 47 Cb -0.04 -2.45 1.56 0.00 -1.46 0.00 0.00 42.92 40.53 1p8g s ASP 47 CO 0.00 -1.12 1.77 0.00 0.52 0.00 0.00 175.17 176.35 1p8g h ALA 48 N 8.74 3.18 -0.26 3.66 0.00 -1.89 -1.25 119.26 131.43 1p8g h ALA 48 Ca 0.20 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1p8g h ALA 48 Cb 0.99 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 1p8g h ALA 48 CO 1.21 -1.55 -0.42 0.22 0.00 0.00 0.00 179.25 178.71 1p8g h ASP 49 N 0.02 -1.36 0.00 0.00 3.58 -1.98 -2.92 116.42 113.76 1p8g h ASP 49 Ca 0.61 0.19 -0.18 0.00 0.42 0.00 0.00 57.03 58.08 1p8g h ASP 49 Cb 2.42 0.58 -0.03 0.00 1.72 0.00 0.00 39.33 44.02 1p8g h ASP 49 CO -0.02 -0.40 -0.98 0.50 -2.88 0.00 0.00 179.24 175.46 1p8g h LYS 50 N -0.41 0.00 -4.47 0.28 3.11 -1.68 -3.43 116.57 109.97 1p8g h LYS 50 Ca 0.10 0.00 -0.65 0.00 -2.81 0.00 0.00 60.65 57.29 1p8g h LYS 50 Cb 0.60 0.00 -0.40 0.00 -1.00 0.00 0.00 32.23 31.43 1p8g h LYS 50 CO -0.48 0.97 -0.72 0.14 -2.81 0.00 0.00 179.45 176.55 1p8g s VAL 51 N -2.32 2.19 0.60 2.00 -7.23 -0.73 -5.10 120.40 109.80 1p8g s VAL 51 Ca -0.26 -2.36 -0.20 0.00 -1.81 0.00 0.00 61.98 57.35 1p8g s VAL 51 Cb 0.04 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 1p8g s VAL 51 CO 0.60 -0.63 1.31 -1.20 -0.31 0.00 0.00 175.10 174.87 1p8g n SER 52 N 4.19 2.30 -0.22 4.85 7.64 -1.10 -3.58 113.62 127.71 1p8g n SER 52 Ca 0.04 0.90 0.10 0.00 1.01 0.00 0.00 58.87 60.92 1p8g n SER 52 Cb 0.41 -1.56 0.20 0.00 -1.01 0.00 0.00 64.21 62.25 1p8g n SER 52 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1p8g n VAL 53 N -1.47 -0.27 0.17 0.44 0.31 -1.26 0.75 118.33 117.00 1p8g n VAL 53 Ca 0.13 1.39 -0.14 0.00 -0.01 0.00 0.00 64.34 65.70 1p8g n VAL 53 Cb 0.46 -2.04 -0.07 0.00 -0.91 0.00 0.00 33.84 31.29 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 -0.79 5.55 3.64 -1.98 0.33 116.57 122.74 1p8g h LYS 54 Ca 0.40 0.04 0.19 0.00 -1.27 0.00 0.00 60.65 60.00 1p8g h LYS 54 Cb 0.84 0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 32.66 1p8g h LYS 54 CO -0.59 -0.39 0.11 0.22 -2.27 0.00 0.00 179.45 176.53 1p8g h ASP 55 N -0.61 -0.16 0.09 4.20 1.82 0.02 0.18 116.42 121.95 1p8g h ASP 55 Ca 0.00 0.18 -0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1p8g h ASP 55 Cb 0.58 0.29 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1p8g h ASP 55 CO -0.10 -0.14 -0.04 0.40 -1.61 0.00 0.00 179.24 177.75 1p8g h ILE 56 N 0.17 1.04 -0.38 2.25 1.08 -0.27 0.32 117.51 121.71 1p8g h ILE 56 Ca 0.46 -0.45 0.02 0.00 -0.39 0.00 0.00 64.86 64.50 1p8g h ILE 56 Cb 0.84 1.33 -0.03 0.00 -3.07 0.00 0.00 36.82 35.89 1p8g h ILE 56 CO -0.63 0.11 0.22 0.00 -0.69 0.00 0.00 178.15 177.16 1p8g h ALA 57 N 0.58 0.48 -0.50 1.87 0.00 0.51 -0.79 119.26 121.41 1p8g h ALA 57 Ca -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1p8g h ALA 57 Cb 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1p8g h ALA 57 CO 0.02 -0.13 0.18 -0.44 0.00 0.00 0.00 179.25 178.88 1p8g h ASP 58 N 0.44 0.66 0.17 0.00 3.32 -0.54 -0.21 116.42 120.26 1p8g h ASP 58 Ca 0.15 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1p8g h ASP 58 Cb 0.02 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 1p8g h ASP 58 CO -0.08 0.61 -0.05 0.00 -1.72 0.00 0.00 179.24 178.00 1p8g h ALA 59 N 1.49 1.38 -0.18 3.45 0.00 0.56 0.18 119.26 126.14 1p8g h ALA 59 Ca 0.17 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1p8g h ALA 59 Cb 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1p8g h ALA 59 CO -0.01 0.06 -0.29 0.82 0.00 0.00 0.00 179.25 179.83 1p8g h ILE 60 N 0.00 1.34 -0.78 0.00 5.03 -0.66 -3.17 117.51 119.27 1p8g h ILE 60 Ca -0.00 -1.52 0.10 0.00 -0.12 0.00 0.00 64.86 63.33 1p8g h ILE 60 Cb 0.15 1.90 -0.05 0.00 -3.03 0.00 0.00 36.82 35.78 1p8g h ILE 60 CO 0.01 0.46 0.51 -0.33 -0.68 0.00 0.00 178.15 178.12 1p8g h GLU 61 N 0.15 0.66 -0.49 2.37 5.08 -0.43 0.28 114.58 122.21 1p8g h GLU 61 Ca 0.01 -0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.46 1p8g h GLU 61 Cb 0.87 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1p8g h GLU 61 CO 0.07 0.44 0.34 -0.44 -1.00 0.00 0.00 179.01 178.42 1p8g h ASP 62 N 0.68 0.08 -2.15 1.42 5.19 -1.09 -3.34 116.42 117.22 1p8g h ASP 62 Ca 0.37 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 56.29 1p8g h ASP 62 Cb 0.50 -0.01 -0.34 0.00 0.18 0.00 0.00 39.33 39.65 1p8g h ASP 62 CO -0.14 0.04 -0.84 -1.58 -3.12 0.00 0.00 179.24 173.60 1p8g s GLN 63 N -5.10 0.82 0.00 3.56 0.74 0.93 -5.06 119.66 115.55 1p8g s GLN 63 Ca -0.06 -1.62 0.00 0.00 0.05 0.00 0.00 55.36 53.73 1p8g s GLN 63 Cb 0.19 -1.09 0.00 0.00 1.10 0.00 0.00 33.01 33.21 1p8g s GLN 63 CO 0.73 -1.32 0.00 0.41 -0.55 0.00 0.00 175.29 174.56 1p8g n GLY 64 N 3.30 0.10 2.32 2.59 0.00 -0.95 -4.37 105.19 108.18 1p8g n GLY 64 Ca 0.22 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 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 2.35 1.57 -3.21 1.61 4.01 -1.26 -4.08 117.16 118.16 1p8g n TYR 65 Ca 0.00 -2.39 -0.27 0.00 -0.16 0.00 0.00 57.90 55.08 1p8g n TYR 65 Cb 0.00 -2.04 -0.06 0.00 -0.31 0.00 0.00 39.34 36.92 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 3.47 3.95 -3.45 7.72 9.92 -1.26 -4.96 116.55 131.94 1p8g n ASP 66 Ca 0.61 -3.53 -0.25 0.00 -0.53 0.00 0.00 54.79 51.09 1p8g n ASP 66 Cb 0.35 -0.62 -0.11 0.00 -0.64 0.00 0.00 41.12 40.09 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 -3.28 -0.05 0.34 2.53 1.01 -1.26 -3.69 120.40 115.99 1p8g s VAL 67 Ca 0.44 -1.28 0.28 0.00 0.00 0.00 0.00 61.98 61.43 1p8g s VAL 67 Cb 0.21 -0.98 0.30 0.00 0.00 0.00 0.00 36.38 35.91 1p8g s VAL 67 CO -0.07 -0.81 2.03 0.00 0.00 0.00 0.00 175.10 176.25 1p8g h ALA 68 N 7.37 1.17 0.00 5.51 0.00 -0.64 -3.48 119.26 129.19 1p8g h ALA 68 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1p8g h ALA 68 Cb 1.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1p8g h ALA 68 CO 0.28 0.15 0.00 1.17 0.00 0.00 0.00 179.25 180.86 1p8g n LYS 69 N -3.48 0.00 -1.95 0.00 4.81 0.08 -4.86 118.16 112.75 1p8g n LYS 69 Ca -0.01 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.01 1p8g n LYS 69 Cb 0.28 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.30 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 -2.42 2.83 0.94 3.15 1.10 -1.26 -0.21 121.20 125.32 1p8g s ILE 70 Ca 0.00 0.50 -0.12 0.00 -0.51 0.00 0.00 60.65 60.52 1p8g s ILE 70 Cb 0.00 -3.32 0.16 0.00 0.15 0.00 0.00 42.46 39.45 1p8g s ILE 70 CO 0.00 0.02 1.09 -1.61 -2.11 0.00 0.00 174.94 172.33 1p8g s GLU 71 N 1.69 0.85 -0.53 3.50 0.41 -0.87 -4.86 118.70 118.89 1p8g s GLU 71 Ca 0.71 0.89 -0.26 0.00 -0.41 0.00 0.00 54.97 55.90 1p8g s GLU 71 Cb -0.42 -1.76 -0.08 0.00 -1.78 0.00 0.00 34.13 30.09 1p8g s GLU 71 CO 0.31 -2.54 2.44 0.41 -0.49 0.00 0.00 175.26 175.40 1p8g n GLY 72 N -0.68 0.14 0.00 -1.39 0.00 -1.26 -4.88 105.19 97.11 1p8g n GLY 72 Ca 0.07 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1p8g n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19