#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 1.41 -0.57 0.03 2.02 0.70 -4.87 118.70 117.42 1p8g s GLU 2 Ca 0.00 -1.12 -0.26 0.00 0.02 0.00 0.00 54.97 53.61 1p8g s GLU 2 Cb 0.00 -2.57 -0.08 0.00 0.10 0.00 0.00 34.13 31.58 1p8g s GLU 2 CO 0.00 -0.72 2.35 1.14 0.02 0.00 0.00 175.26 178.05 1p8g s GLN 3 N 1.37 2.06 0.28 1.61 0.00 -1.26 -2.66 119.66 121.05 1p8g s GLN 3 Ca -0.00 1.11 0.02 0.00 -0.00 0.00 0.00 55.36 56.49 1p8g s GLN 3 Cb -0.19 -4.62 -0.05 0.00 0.00 0.00 0.00 33.01 28.16 1p8g s GLN 3 CO -0.10 -3.47 0.11 0.15 0.00 0.00 0.00 175.29 171.99 1p8g s LYS 4 N 8.25 1.48 -0.45 9.60 1.02 -0.11 -4.94 119.74 134.60 1p8g s LYS 4 Ca 0.93 -1.82 -0.08 0.00 0.02 0.00 0.00 55.97 55.03 1p8g s LYS 4 Cb -0.15 -0.24 0.11 0.00 -0.52 0.00 0.00 37.83 37.02 1p8g s LYS 4 CO 0.21 -0.34 0.29 0.99 -0.92 0.00 0.00 175.35 175.59 1p8g s THR 5 N -3.69 3.99 -1.35 2.17 2.01 -1.26 -0.45 115.64 117.06 1p8g s THR 5 Ca 0.37 -1.77 -0.13 0.00 0.31 0.00 0.00 61.69 60.47 1p8g s THR 5 Cb 0.07 -3.61 0.10 0.00 0.01 0.00 0.00 72.50 69.07 1p8g s THR 5 CO 0.15 -0.70 1.94 -0.11 -0.69 0.00 0.00 174.62 175.21 1p8g n LEU 6 N 4.84 6.32 -3.57 4.42 7.94 -1.26 -1.46 117.00 134.22 1p8g n LEU 6 Ca -0.07 -4.32 -0.50 0.00 -1.11 0.00 0.00 56.01 50.01 1p8g n LEU 6 Cb 0.41 -1.61 -0.07 0.00 0.53 0.00 0.00 43.42 42.68 1p8g n LEU 6 CO 0.40 1.01 0.74 1.67 -1.11 0.00 0.00 177.39 180.10 1p8g n GLN 7 N 5.63 0.00 -4.21 1.96 0.00 0.16 -4.53 117.38 116.39 1p8g n GLN 7 Ca 0.46 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 57.12 1p8g n GLN 7 Cb 0.40 -1.15 -0.15 0.00 0.00 0.00 0.00 30.24 29.34 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 1.55 2.90 0.72 1.69 1.01 -1.26 -0.45 120.40 126.57 1p8g s VAL 8 Ca 0.77 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 1p8g s VAL 8 Cb -1.09 -2.27 0.10 0.00 0.00 0.00 0.00 36.38 33.12 1p8g s VAL 8 CO 0.57 0.48 1.01 -1.83 0.00 0.00 0.00 175.10 175.33 1p8g s GLU 9 N 1.13 1.85 -0.26 2.72 1.03 -1.26 -4.64 118.70 119.26 1p8g s GLU 9 Ca 0.01 -0.66 0.02 0.00 0.03 0.00 0.00 54.97 54.37 1p8g s GLU 9 Cb -0.14 -2.23 0.06 0.00 -0.80 0.00 0.00 34.13 31.01 1p8g s GLU 9 CO -0.03 -1.39 -0.09 0.20 -1.33 0.00 0.00 175.26 172.61 1p8g s GLY 10 N -4.63 1.67 0.07 -3.83 0.00 -1.26 -4.76 107.32 94.58 1p8g s GLY 10 Ca 0.64 -1.74 -0.17 0.00 0.00 0.00 0.00 44.72 43.45 1p8g s GLY 10 CO 0.45 0.61 1.28 1.98 0.00 0.00 0.00 173.10 177.42 1p8g h MET 11 N 7.82 -0.19 0.00 2.90 4.05 -1.98 -3.47 114.93 124.06 1p8g h MET 11 Ca -0.21 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.23 1p8g h MET 11 Cb 1.05 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.89 1p8g h MET 11 CO 0.48 -0.13 0.00 -1.13 0.23 0.00 0.00 176.91 176.36 1p8g n SER 12 N -4.05 0.00 -4.60 1.39 3.41 -1.26 -5.14 113.62 103.36 1p8g n SER 12 Ca -0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.20 1p8g n SER 12 Cb 0.17 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.16 1p8g n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p8g n GLN 14 N -0.56 1.95 -2.17 0.00 7.27 -1.26 -4.56 117.38 118.06 1p8g n GLN 14 Ca 0.12 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.99 1p8g n GLN 14 Cb 0.45 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.07 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 -0.01 -0.77 -1.01 3.69 8.25 -1.26 -5.01 115.22 119.10 1p8g n HIS 15 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1p8g n HIS 15 Cb 0.00 -3.69 0.00 0.00 1.12 0.00 0.00 29.99 27.42 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 -1.92 0.00 0.00 0.00 3.14 -1.26 -4.40 118.33 113.89 1p8g n VAL 17 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1p8g n VAL 17 Cb 0.00 -1.20 0.00 0.00 -1.06 0.00 0.00 33.84 31.58 1p8g n VAL 17 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1p8g n LYS 18 N -1.70 0.00 -0.19 1.45 4.01 -1.26 -4.80 118.16 115.67 1p8g n LYS 18 Ca -0.12 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.67 1p8g n LYS 18 Cb 0.42 -0.06 0.07 0.00 -0.51 0.00 0.00 35.03 34.95 1p8g n LYS 18 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1p8g h ALA 19 N 0.00 0.49 0.00 7.82 0.00 -1.77 0.39 119.26 126.20 1p8g h ALA 19 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1p8g h ALA 19 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1p8g h ALA 19 CO 0.00 -0.41 0.00 0.28 0.00 0.00 0.00 179.25 179.12 1p8g n VAL 20 N -5.32 0.58 -0.03 0.00 0.31 -1.26 -3.35 118.33 109.25 1p8g n VAL 20 Ca 0.07 -0.05 -0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1p8g n VAL 20 Cb 0.32 -0.76 -0.00 0.00 -0.91 0.00 0.00 33.84 32.50 1p8g n VAL 20 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1p8g h GLU 21 N 0.00 -0.00 -0.77 5.55 4.22 -0.69 -3.37 114.58 119.52 1p8g h GLU 21 Ca 0.00 0.00 0.16 0.00 0.08 0.00 0.00 59.36 59.60 1p8g h GLU 21 Cb 0.55 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.70 1p8g h GLU 21 CO 0.00 -0.00 0.28 1.15 -2.18 0.00 0.00 179.01 178.26 1p8g h THR 22 N -0.73 0.60 0.19 0.32 2.02 -0.81 0.14 112.91 114.64 1p8g h THR 22 Ca -0.00 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1p8g h THR 22 Cb 0.00 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 1p8g h THR 22 CO 0.00 0.07 -0.23 0.77 0.37 0.00 0.00 175.52 176.50 1p8g h SER 23 N 0.40 -0.65 -0.75 4.18 4.64 -1.75 0.21 113.55 119.84 1p8g h SER 23 Ca 0.43 0.06 0.08 0.00 -0.47 0.00 0.00 61.79 61.89 1p8g h SER 23 Cb 0.70 0.22 -0.07 0.00 -0.31 0.00 0.00 62.40 62.94 1p8g h SER 23 CO -0.45 -0.29 0.41 0.58 -0.87 0.00 0.00 176.83 176.21 1p8g h VAL 24 N -0.43 0.90 0.00 0.95 2.07 -1.69 -0.71 116.25 117.35 1p8g h VAL 24 Ca -0.02 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1p8g h VAL 24 Cb 0.38 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1p8g h VAL 24 CO -0.05 0.13 0.37 1.23 0.02 0.00 0.00 177.57 179.26 1p8g h GLY 25 N 0.70 0.00 1.67 2.17 0.00 0.17 -1.25 103.07 106.54 1p8g h GLY 25 Ca 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.60 1p8g h GLY 25 CO -0.24 0.00 -0.64 0.83 0.00 0.00 0.00 176.54 176.49 1p8g h GLU 26 N 0.00 0.00 -6.31 4.80 4.39 0.98 -3.46 114.58 114.98 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 0.73 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1p8g h GLU 26 CO 0.00 0.30 1.06 -0.51 -1.16 0.00 0.00 179.01 178.69 1p8g s LEU 27 N -6.14 4.34 0.39 1.33 1.43 -0.47 -4.87 118.68 114.68 1p8g s LEU 27 Ca 0.03 2.30 0.21 0.00 -1.03 0.00 0.00 54.13 55.63 1p8g s LEU 27 Cb 0.07 -3.54 1.20 0.00 0.03 0.00 0.00 46.19 43.96 1p8g s LEU 27 CO 0.75 -0.91 1.68 -0.78 0.23 0.00 0.00 176.35 177.32 1p8g h ASP 28 N 9.23 0.41 0.53 2.29 3.58 -1.88 0.71 116.42 131.29 1p8g h ASP 28 Ca -0.40 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1p8g h ASP 28 Cb 1.19 0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.34 1p8g h ASP 28 CO 0.94 -0.10 -0.06 0.61 -2.88 0.00 0.00 179.24 177.75 1p8g n GLY 29 N -1.41 -1.18 3.68 -0.78 0.00 -1.26 -4.89 105.19 99.35 1p8g n GLY 29 Ca 0.32 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.59 2.41 0.00 1.61 0.11 0.24 -0.43 120.40 121.74 1p8g s VAL 30 Ca 0.27 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 1p8g s VAL 30 Cb 0.20 -2.56 0.00 0.00 -1.53 0.00 0.00 36.38 32.49 1p8g s VAL 30 CO 0.48 -0.17 0.00 -0.24 -3.33 0.00 0.00 175.10 171.84 1p8g n SER 31 N -4.08 0.00 -4.19 3.54 2.88 0.81 -4.84 113.62 107.75 1p8g n SER 31 Ca 0.06 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.38 1p8g n SER 31 Cb 0.56 0.02 -0.14 0.00 -0.75 0.00 0.00 64.21 63.90 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 -1.93 1.42 -0.37 -1.46 0.00 -0.27 -4.94 121.76 114.21 1p8g s ALA 32 Ca 0.00 -0.90 0.13 0.00 0.00 0.00 0.00 51.96 51.18 1p8g s ALA 32 Cb 0.00 -0.26 0.38 0.00 0.00 0.00 0.00 23.12 23.23 1p8g s ALA 32 CO 0.00 0.30 0.87 1.33 0.00 0.00 0.00 175.76 178.26 1p8g n VAL 33 N 1.97 0.16 -2.14 0.00 0.24 -1.23 -0.95 118.33 116.38 1p8g n VAL 33 Ca -0.17 -3.64 -0.42 0.00 -2.04 0.00 0.00 64.34 58.06 1p8g n VAL 33 Cb 0.54 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 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 0.15 3.18 -1.73 6.34 -0.00 0.59 -4.89 115.22 118.87 1p8g n HIS 34 Ca 0.17 -2.86 -0.42 0.00 0.46 0.00 0.00 57.72 55.07 1p8g n HIS 34 Cb 0.72 -2.17 -0.03 0.00 -0.12 0.00 0.00 29.99 28.39 1p8g n HIS 34 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1p8g s VAL 35 N 1.39 2.02 -0.46 3.57 0.11 -1.26 -1.12 120.40 124.66 1p8g s VAL 35 Ca 0.42 0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.56 1p8g s VAL 35 Cb 0.11 -3.01 0.26 0.00 -1.53 0.00 0.00 36.38 32.21 1p8g s VAL 35 CO -0.03 0.00 0.83 -3.20 -3.33 0.00 0.00 175.10 169.38 1p8g n ASN 36 N 3.64 -1.89 0.31 3.54 2.85 -1.12 -4.93 115.26 117.66 1p8g n ASN 36 Ca 0.14 -3.22 0.20 0.00 -0.11 0.00 0.00 54.58 51.59 1p8g n ASN 36 Cb 0.36 1.15 1.03 0.00 1.24 0.00 0.00 39.78 43.55 1p8g n ASN 36 CO 0.00 0.00 0.00 0.17 -2.11 0.00 0.00 177.26 175.32 1p8g h LEU 37 N 3.77 0.00 -0.64 1.20 8.10 -1.82 0.18 115.31 126.10 1p8g h LEU 37 Ca -0.08 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.77 1p8g h LEU 37 Cb 1.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.21 1p8g h LEU 37 CO 0.34 0.02 -0.47 -0.33 -4.11 0.00 0.00 178.44 173.88 1p8g h GLU 38 N 0.00 0.50 0.00 0.17 5.08 -1.93 -1.90 114.58 116.50 1p8g h GLU 38 Ca -0.00 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.00 1p8g h GLU 38 Cb 0.14 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1p8g h GLU 38 CO 0.00 0.86 -0.40 0.00 -1.00 0.00 0.00 179.01 178.48 1p8g h ALA 39 N 1.09 0.77 0.00 3.43 0.00 -1.58 -3.47 119.26 119.50 1p8g h ALA 39 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1p8g h ALA 39 Cb 0.98 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1p8g h ALA 39 CO 0.09 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1p8g n GLY 40 N 1.03 0.86 2.87 0.00 0.00 0.49 -5.06 105.19 105.38 1p8g n GLY 40 Ca 0.02 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 1p8g n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p8g s LYS 41 N -2.13 0.31 0.31 1.61 2.20 -0.31 -4.79 119.74 116.94 1p8g s LYS 41 Ca 0.00 0.44 -0.18 0.00 -0.36 0.00 0.00 55.97 55.87 1p8g s LYS 41 Cb 0.00 -0.67 -0.09 0.00 -1.51 0.00 0.00 37.83 35.56 1p8g s LYS 41 CO 0.00 -0.66 0.78 0.54 -0.36 0.00 0.00 175.35 175.65 1p8g s VAL 42 N 2.49 4.57 -0.43 4.02 0.11 -1.26 -2.79 120.40 127.11 1p8g s VAL 42 Ca 0.11 1.19 0.03 0.00 -2.93 0.00 0.00 61.98 60.38 1p8g s VAL 42 Cb -0.15 -3.71 0.12 0.00 -1.53 0.00 0.00 36.38 31.10 1p8g s VAL 42 CO -0.15 -0.07 0.16 -0.62 -3.33 0.00 0.00 175.10 171.08 1p8g s ASP 43 N -2.04 4.66 -0.32 3.54 -1.08 -0.27 -4.14 116.67 117.02 1p8g s ASP 43 Ca 0.52 -2.51 -0.04 0.00 -0.52 0.00 0.00 52.55 50.01 1p8g s ASP 43 Cb -0.12 -1.66 0.05 0.00 -1.46 0.00 0.00 42.92 39.72 1p8g s ASP 43 CO 0.18 -0.34 0.05 0.68 0.52 0.00 0.00 175.17 176.26 1p8g s VAL 44 N 0.42 3.31 -0.41 1.11 -7.23 0.40 -0.30 120.40 117.71 1p8g s VAL 44 Ca 0.13 -1.31 -0.15 0.00 -1.81 0.00 0.00 61.98 58.84 1p8g s VAL 44 Cb -0.22 -2.90 0.02 0.00 0.56 0.00 0.00 36.38 33.84 1p8g s VAL 44 CO -0.05 -0.16 0.32 -0.55 -0.31 0.00 0.00 175.10 174.36 1p8g s SER 45 N 1.34 6.12 0.02 4.85 0.15 -0.13 -0.93 113.70 125.12 1p8g s SER 45 Ca -0.03 -0.88 -0.01 0.00 0.70 0.00 0.00 55.95 55.73 1p8g s SER 45 Cb -0.20 -2.17 -0.02 0.00 -1.71 0.00 0.00 66.02 61.93 1p8g s SER 45 CO 0.00 -0.47 -0.00 0.72 1.20 0.00 0.00 173.24 174.69 1p8g s PHE 46 N 1.74 0.24 -1.19 3.44 -0.12 -1.09 -0.13 117.98 120.87 1p8g s PHE 46 Ca 0.06 -0.50 -0.19 0.00 -0.05 0.00 0.00 56.93 56.25 1p8g s PHE 46 Cb -0.19 -0.18 0.09 0.00 -0.63 0.00 0.00 43.02 42.11 1p8g s PHE 46 CO 0.10 -0.22 1.57 0.34 -0.05 0.00 0.00 175.22 176.97 1p8g s ASP 47 N -1.55 6.77 0.43 1.98 2.15 0.42 -0.22 116.67 126.66 1p8g s ASP 47 Ca -0.14 -2.25 0.29 0.00 0.43 0.00 0.00 52.55 50.87 1p8g s ASP 47 Cb -0.08 -2.54 1.39 0.00 -0.30 0.00 0.00 42.92 41.39 1p8g s ASP 47 CO -0.01 -1.18 1.63 0.00 -0.17 0.00 0.00 175.17 175.44 1p8g h ALA 48 N 8.17 2.66 0.32 3.66 0.00 -1.87 0.12 119.26 132.33 1p8g h ALA 48 Ca 0.34 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 1p8g h ALA 48 Cb 0.92 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1p8g h ALA 48 CO 1.39 -1.28 -0.15 0.22 0.00 0.00 0.00 179.25 179.43 1p8g h ASP 49 N 0.11 -0.36 0.24 0.00 1.82 -1.96 -2.97 116.42 113.30 1p8g h ASP 49 Ca 0.80 -0.03 -0.33 0.00 -0.39 0.00 0.00 57.03 57.08 1p8g h ASP 49 Cb 2.47 0.09 0.04 0.00 0.68 0.00 0.00 39.33 42.61 1p8g h ASP 49 CO -0.43 -0.20 -1.44 0.50 -1.61 0.00 0.00 179.24 176.06 1p8g h LYS 50 N -0.50 0.54 -3.04 0.28 3.64 -1.76 -3.43 116.57 112.30 1p8g h LYS 50 Ca -0.04 -0.91 -0.52 0.00 -1.27 0.00 0.00 60.65 57.90 1p8g h LYS 50 Cb 0.37 0.34 -0.40 0.00 -0.41 0.00 0.00 32.23 32.13 1p8g h LYS 50 CO 0.07 1.43 -0.77 0.14 -2.27 0.00 0.00 179.45 178.06 1p8g s VAL 51 N -2.61 0.14 0.57 2.00 -7.23 0.35 -5.12 120.40 108.50 1p8g s VAL 51 Ca -0.09 -0.74 -0.20 0.00 -1.81 0.00 0.00 61.98 59.14 1p8g s VAL 51 Cb 0.04 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 1p8g s VAL 51 CO 0.94 -0.59 1.27 -0.44 -0.31 0.00 0.00 175.10 175.97 1p8g s SER 52 N 2.00 5.21 0.30 4.85 0.01 -1.12 -3.17 113.70 121.78 1p8g s SER 52 Ca 0.07 2.56 0.04 0.00 1.31 0.00 0.00 55.95 59.93 1p8g s SER 52 Cb -0.16 -2.62 0.80 0.00 0.21 0.00 0.00 66.02 64.25 1p8g s SER 52 CO -0.27 -1.59 1.50 1.33 0.41 0.00 0.00 173.24 174.61 1p8g n VAL 53 N -1.33 -0.40 0.12 3.43 0.24 -1.26 0.62 118.33 119.74 1p8g n VAL 53 Ca 0.12 2.08 -0.13 0.00 -2.04 0.00 0.00 64.34 64.37 1p8g n VAL 53 Cb 0.47 -3.08 -0.06 0.00 -1.47 0.00 0.00 33.84 29.70 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 -0.29 -0.83 7.34 3.64 -1.97 -0.82 116.57 123.64 1p8g h LYS 54 Ca 0.61 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 60.18 1p8g h LYS 54 Cb 1.32 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 33.09 1p8g h LYS 54 CO -0.88 -0.19 0.35 0.22 -2.27 0.00 0.00 179.45 176.68 1p8g h ASP 55 N -0.30 0.32 -0.28 4.20 3.58 -0.14 0.26 116.42 124.06 1p8g h ASP 55 Ca 0.00 0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1p8g h ASP 55 Cb 0.28 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 1p8g h ASP 55 CO -0.03 0.07 0.08 0.40 -2.88 0.00 0.00 179.24 176.88 1p8g h ILE 56 N 0.45 1.21 -0.64 2.25 1.08 -0.57 0.10 117.51 121.38 1p8g h ILE 56 Ca 0.48 -0.67 -0.05 0.00 -0.39 0.00 0.00 64.86 64.23 1p8g h ILE 56 Cb 0.81 1.12 -0.03 0.00 -3.07 0.00 0.00 36.82 35.65 1p8g h ILE 56 CO -0.46 0.22 0.21 0.00 -0.69 0.00 0.00 178.15 177.43 1p8g h ALA 57 N 0.91 1.15 -0.46 1.87 0.00 0.35 0.09 119.26 123.17 1p8g h ALA 57 Ca 0.09 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1p8g h ALA 57 Cb 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1p8g h ALA 57 CO -0.00 0.59 -0.08 -0.44 0.00 0.00 0.00 179.25 179.31 1p8g h ASP 58 N 0.95 0.80 -0.49 0.00 3.32 -0.26 -1.22 116.42 119.51 1p8g h ASP 58 Ca 0.21 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1p8g h ASP 58 Cb 0.26 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1p8g h ASP 58 CO -0.01 0.91 0.21 0.00 -1.72 0.00 0.00 179.24 178.63 1p8g h ALA 59 N 1.16 1.35 -0.89 3.45 0.00 0.24 0.71 119.26 125.29 1p8g h ALA 59 Ca 0.13 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1p8g h ALA 59 Cb 0.57 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1p8g h ALA 59 CO 0.03 0.48 0.58 0.82 0.00 0.00 0.00 179.25 181.16 1p8g h ILE 60 N 0.77 1.15 -0.61 0.00 2.04 -0.35 -2.65 117.51 117.85 1p8g h ILE 60 Ca 0.18 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.69 1p8g h ILE 60 Cb 0.17 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.14 1p8g h ILE 60 CO -0.02 0.20 0.37 -0.08 0.00 0.00 0.00 178.15 178.63 1p8g h GLU 61 N 1.12 0.71 -0.17 2.37 4.22 0.26 0.20 114.58 123.29 1p8g h GLU 61 Ca 0.35 -0.04 0.05 0.00 0.08 0.00 0.00 59.36 59.80 1p8g h GLU 61 Cb 0.00 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.03 1p8g h GLU 61 CO -0.12 0.47 -0.27 0.22 -2.18 0.00 0.00 179.01 177.13 1p8g h ASP 62 N 0.73 -0.85 0.05 1.04 1.82 -0.93 -3.33 116.42 114.96 1p8g h ASP 62 Ca 0.24 0.14 -0.09 0.00 -0.39 0.00 0.00 57.03 56.93 1p8g h ASP 62 Cb 0.02 0.38 0.00 0.00 0.68 0.00 0.00 39.33 40.41 1p8g h ASP 62 CO -0.10 -0.31 -0.44 -0.61 -1.61 0.00 0.00 179.24 176.16 1p8g h GLN 63 N -0.32 0.10 -0.43 0.28 -0.00 -1.07 -3.46 115.11 110.21 1p8g h GLN 63 Ca 0.11 -0.17 0.08 0.00 -0.00 0.00 0.00 58.65 58.68 1p8g h GLN 63 Cb 0.49 0.06 -0.18 0.00 0.00 0.00 0.00 27.48 27.85 1p8g h GLN 63 CO -0.35 1.08 -0.20 0.20 0.00 0.00 0.00 178.83 179.56 1p8g s GLY 64 N -4.39 -1.43 -0.35 2.39 0.00 0.64 -5.05 107.32 99.13 1p8g s GLY 64 Ca -0.19 1.05 -0.28 0.00 0.00 0.00 0.00 44.72 45.31 1p8g s GLY 64 CO 0.72 4.12 1.94 -2.52 0.00 0.00 0.00 173.10 177.36 1p8g s TYR 65 N 2.01 1.61 -0.45 1.90 1.13 -1.18 -4.56 117.35 117.82 1p8g s TYR 65 Ca 0.16 0.69 0.02 0.00 -1.41 0.00 0.00 57.07 56.52 1p8g s TYR 65 Cb 0.01 -4.04 0.21 0.00 -1.10 0.00 0.00 41.96 37.03 1p8g s TYR 65 CO -0.14 -3.10 0.90 -0.25 -2.51 0.00 0.00 175.55 170.46 1p8g n ASP 66 N 11.22 -2.61 -3.03 -0.18 8.00 -1.26 -4.84 116.55 123.85 1p8g n ASP 66 Ca 0.25 -2.20 -0.08 0.00 0.71 0.00 0.00 54.79 53.47 1p8g n ASP 66 Cb 0.47 1.35 -0.02 0.00 -0.02 0.00 0.00 41.12 42.91 1p8g n ASP 66 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1p8g s VAL 67 N 0.86 -0.72 0.22 2.53 0.11 -1.26 -4.30 120.40 117.84 1p8g s VAL 67 Ca 0.28 -1.01 -0.07 0.00 -2.93 0.00 0.00 61.98 58.24 1p8g s VAL 67 Cb 0.07 -0.27 0.36 0.00 -1.53 0.00 0.00 36.38 35.01 1p8g s VAL 67 CO -0.09 -0.26 1.26 0.00 -3.33 0.00 0.00 175.10 172.68 1p8g n ALA 68 N 3.43 0.17 0.00 1.54 0.00 0.40 -4.93 120.51 121.13 1p8g n ALA 68 Ca 0.17 0.88 0.00 0.00 0.00 0.00 0.00 53.44 54.50 1p8g n ALA 68 Cb 0.54 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1p8g n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p8g n LYS 69 N -5.31 0.00 -1.96 0.00 5.02 -0.81 -4.94 118.16 110.16 1p8g n LYS 69 Ca 0.13 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.99 1p8g n LYS 69 Cb 0.40 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.38 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 -0.89 2.97 0.23 -0.18 -1.09 -1.26 0.36 121.20 121.34 1p8g s ILE 70 Ca 0.00 0.54 -0.10 0.00 -2.23 0.00 0.00 60.65 58.86 1p8g s ILE 70 Cb 0.00 -3.35 0.25 0.00 -1.58 0.00 0.00 42.46 37.78 1p8g s ILE 70 CO 0.00 0.01 1.64 -0.33 -1.23 0.00 0.00 174.94 175.03 1p8g h GLU 71 N 7.75 0.08 0.00 2.79 4.39 -1.64 -3.33 114.58 124.62 1p8g h GLU 71 Ca -0.42 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1p8g h GLU 71 Cb 1.20 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1p8g h GLU 71 CO 0.92 0.05 -0.03 0.78 -1.16 0.00 0.00 179.01 179.57 1p8g h GLY 72 N 0.08 0.00 0.00 -3.84 0.00 -1.90 -3.52 103.07 93.89 1p8g h GLY 72 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1p8g h GLY 72 CO -0.62 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 173.79