#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 2.33 -0.60 3.17 2.02 0.62 -4.84 118.70 121.40 1p8g s GLU 2 Ca 0.00 -1.65 -0.26 0.00 0.02 0.00 0.00 54.97 53.08 1p8g s GLU 2 Cb 0.00 -3.69 -0.06 0.00 0.10 0.00 0.00 34.13 30.48 1p8g s GLU 2 CO 0.00 -1.03 2.21 1.14 0.02 0.00 0.00 175.26 177.60 1p8g s GLN 3 N 1.29 2.22 0.33 1.61 -2.07 -1.26 -2.41 119.66 119.37 1p8g s GLN 3 Ca 0.05 0.91 0.03 0.00 -1.82 0.00 0.00 55.36 54.53 1p8g s GLN 3 Cb -0.23 -4.59 -0.04 0.00 -1.09 0.00 0.00 33.01 27.05 1p8g s GLN 3 CO -0.01 -3.28 0.11 0.15 -1.32 0.00 0.00 175.29 170.94 1p8g s LYS 4 N 7.88 1.66 -0.37 9.60 1.02 -0.28 -4.93 119.74 134.33 1p8g s LYS 4 Ca 0.85 -1.95 -0.04 0.00 0.02 0.00 0.00 55.97 54.86 1p8g s LYS 4 Cb -0.14 -0.48 0.08 0.00 -0.52 0.00 0.00 37.83 36.77 1p8g s LYS 4 CO 0.20 -0.36 0.14 0.99 -0.92 0.00 0.00 175.35 175.41 1p8g s THR 5 N -3.45 3.35 -1.11 2.17 2.01 -1.26 -0.53 115.64 116.83 1p8g s THR 5 Ca 0.33 -1.71 -0.20 0.00 0.31 0.00 0.00 61.69 60.42 1p8g s THR 5 Cb 0.06 -3.13 0.07 0.00 0.01 0.00 0.00 72.50 69.52 1p8g s THR 5 CO 0.15 -0.46 1.50 -0.22 -0.69 0.00 0.00 174.62 174.91 1p8g s LEU 6 N 1.23 3.89 -0.24 4.42 0.20 -1.26 -2.05 118.68 124.87 1p8g s LEU 6 Ca 0.03 -1.93 -0.41 0.00 0.69 0.00 0.00 54.13 52.50 1p8g s LEU 6 Cb -0.22 -2.54 -0.18 0.00 -0.43 0.00 0.00 46.19 42.83 1p8g s LEU 6 CO -0.02 -1.30 1.55 1.67 -0.29 0.00 0.00 176.35 177.96 1p8g n GLN 7 N 8.24 0.69 -4.71 1.98 0.00 0.20 -4.69 117.38 119.08 1p8g n GLN 7 Ca 0.37 0.25 -0.33 0.00 -0.00 0.00 0.00 57.00 57.29 1p8g n GLN 7 Cb 0.49 -1.85 -0.14 0.00 0.00 0.00 0.00 30.24 28.74 1p8g n GLN 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1p8g s VAL 8 N 2.41 3.25 -0.46 1.69 0.11 -1.26 -0.00 120.40 126.13 1p8g s VAL 8 Ca 0.97 -0.60 -0.17 0.00 -2.93 0.00 0.00 61.98 59.25 1p8g s VAL 8 Cb -1.19 -2.37 0.05 0.00 -1.53 0.00 0.00 36.38 31.34 1p8g s VAL 8 CO 0.66 0.53 0.44 -0.70 -3.33 0.00 0.00 175.10 172.70 1p8g s GLU 9 N 0.19 3.03 -0.81 1.54 2.56 -1.21 -4.75 118.70 119.25 1p8g s GLU 9 Ca -0.07 -1.11 -0.25 0.00 0.00 0.00 0.00 54.97 53.54 1p8g s GLU 9 Cb -0.15 -4.08 -0.02 0.00 2.00 0.00 0.00 34.13 31.88 1p8g s GLU 9 CO 0.05 -1.01 1.81 0.20 -0.56 0.00 0.00 175.26 175.75 1p8g s GLY 10 N 2.37 0.36 0.00 -1.50 0.00 -1.26 -4.56 107.32 102.74 1p8g s GLY 10 Ca 0.08 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.49 1p8g s GLY 10 CO 0.09 3.31 0.00 -0.13 0.00 0.00 0.00 173.10 176.38 1p8g n MET 11 N 9.00 3.48 -4.15 2.90 1.56 -1.26 -4.94 117.12 123.72 1p8g n MET 11 Ca 0.30 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.39 1p8g n MET 11 Cb 0.49 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 35.85 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 0.00 -3.37 0.00 6.12 2.88 -1.26 -4.73 113.62 113.26 1p8g n SER 12 Ca 0.00 -0.97 0.00 0.00 -1.33 0.00 0.00 58.87 56.57 1p8g n SER 12 Cb 0.00 -2.99 0.00 0.00 -0.75 0.00 0.00 64.21 60.47 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 0.00 1.26 0.00 0.00 -0.21 -1.26 -3.98 119.66 115.47 1p8g s GLN 14 Ca 0.00 0.51 0.00 0.00 0.02 0.00 0.00 55.36 55.89 1p8g s GLN 14 Cb 0.00 -1.83 0.00 0.00 1.00 0.00 0.00 33.01 32.18 1p8g s GLN 14 CO 0.00 -2.16 0.00 1.58 -2.12 0.00 0.00 175.29 172.59 1p8g n HIS 15 N -3.78 0.00 0.08 0.91 -0.00 -1.26 -4.97 115.22 106.20 1p8g n HIS 15 Ca 0.06 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.17 1p8g n HIS 15 Cb 0.57 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.40 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 -1.01 0.56 -0.21 0.00 -1.51 -1.93 -0.96 116.25 111.19 1p8g h VAL 17 Ca -0.03 -0.09 -0.10 0.00 -1.23 0.00 0.00 66.70 65.25 1p8g h VAL 17 Cb 0.40 0.28 -0.00 0.00 -2.13 0.00 0.00 31.29 29.84 1p8g h VAL 17 CO 0.05 0.05 -0.25 0.11 -1.23 0.00 0.00 177.57 176.30 1p8g h LYS 18 N 0.26 0.54 -0.15 5.19 6.56 -1.98 -1.34 116.57 125.64 1p8g h LYS 18 Ca 0.37 -0.30 0.05 0.00 -1.06 0.00 0.00 60.65 59.71 1p8g h LYS 18 Cb 0.60 0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 32.21 1p8g h LYS 18 CO -0.47 0.89 -0.26 0.00 -2.06 0.00 0.00 179.45 177.55 1p8g h ALA 19 N 0.64 -0.23 0.00 3.86 0.00 0.13 0.48 119.26 124.14 1p8g h ALA 19 Ca 0.03 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1p8g h ALA 19 Cb 0.81 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1p8g h ALA 19 CO 0.06 -0.72 -0.02 0.28 0.00 0.00 0.00 179.25 178.86 1p8g h VAL 20 N -0.31 0.27 0.00 0.00 2.07 -1.13 0.18 116.25 117.33 1p8g h VAL 20 Ca 0.11 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1p8g h VAL 20 Cb 0.48 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1p8g h VAL 20 CO -0.33 0.02 0.00 1.21 0.02 0.00 0.00 177.57 178.48 1p8g n GLU 21 N -3.44 0.00 -0.35 1.57 2.13 0.17 -3.99 120.64 116.72 1p8g n GLU 21 Ca -0.03 0.26 -0.00 0.00 0.66 0.00 0.00 57.16 58.05 1p8g n GLU 21 Cb 0.11 -0.83 0.06 0.00 0.27 0.00 0.00 31.44 31.04 1p8g n GLU 21 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1p8g h THR 22 N 0.00 0.03 0.17 6.31 2.02 -0.06 0.18 112.91 121.56 1p8g h THR 22 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1p8g h THR 22 Cb 0.00 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 1p8g h THR 22 CO 0.00 0.00 -0.08 0.28 0.37 0.00 0.00 175.52 176.09 1p8g h SER 23 N -0.02 -0.19 -0.66 4.18 0.02 -1.15 0.15 113.55 115.87 1p8g h SER 23 Ca 0.36 -0.21 0.06 0.00 -0.84 0.00 0.00 61.79 61.15 1p8g h SER 23 Cb 0.61 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.15 1p8g h SER 23 CO -0.95 0.11 0.37 0.58 -1.14 0.00 0.00 176.83 175.80 1p8g h VAL 24 N -0.52 0.98 0.00 2.27 2.07 -1.66 -2.71 116.25 116.68 1p8g h VAL 24 Ca -0.02 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1p8g h VAL 24 Cb 0.40 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1p8g h VAL 24 CO 0.04 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.36 1p8g n GLY 25 N -1.28 -0.54 0.16 2.17 0.00 0.62 -2.14 105.19 104.17 1p8g n GLY 25 Ca 0.08 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.14 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 -6.27 1.61 4.39 -0.43 -3.45 114.58 110.42 1p8g h GLU 26 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 1p8g h GLU 26 Cb 0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1p8g h GLU 26 CO 0.00 0.43 0.89 -0.51 -1.16 0.00 0.00 179.01 178.67 1p8g s LEU 27 N -6.59 4.27 0.30 1.33 1.43 -0.91 -4.90 118.68 113.62 1p8g s LEU 27 Ca 0.03 1.98 0.07 0.00 -1.03 0.00 0.00 54.13 55.17 1p8g s LEU 27 Cb 0.08 -3.55 0.82 0.00 0.03 0.00 0.00 46.19 43.58 1p8g s LEU 27 CO 0.72 -0.76 1.69 -0.78 0.23 0.00 0.00 176.35 177.45 1p8g h ASP 28 N 8.27 0.41 0.47 2.29 3.58 -1.90 0.97 116.42 130.52 1p8g h ASP 28 Ca -0.34 0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 1p8g h ASP 28 Cb 1.15 0.12 -0.00 0.00 1.72 0.00 0.00 39.33 42.32 1p8g h ASP 28 CO 0.93 -0.01 -0.05 1.23 -2.88 0.00 0.00 179.24 178.46 1p8g h GLY 29 N 0.41 0.00 -2.39 -0.78 0.00 -1.95 -3.45 103.07 94.91 1p8g h GLY 29 Ca 0.61 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 47.37 1p8g h GLY 29 CO -0.54 0.00 0.18 1.55 0.00 0.00 0.00 176.54 177.73 1p8g n VAL 30 N -3.29 3.72 0.00 4.60 3.14 0.33 -3.21 118.33 123.63 1p8g n VAL 30 Ca -0.01 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 1p8g n VAL 30 Cb 0.21 -1.19 0.00 0.00 -1.06 0.00 0.00 33.84 31.81 1p8g n VAL 30 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1p8g n SER 31 N -1.24 1.31 -3.87 6.55 2.88 0.11 -4.93 113.62 114.43 1p8g n SER 31 Ca 0.14 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.58 1p8g n SER 31 Cb 0.48 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.85 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 -1.59 -0.30 -0.38 -1.46 0.00 0.37 -4.92 121.76 113.48 1p8g s ALA 32 Ca 0.00 -0.27 0.12 0.00 0.00 0.00 0.00 51.96 51.81 1p8g s ALA 32 Cb 0.00 0.21 0.37 0.00 0.00 0.00 0.00 23.12 23.70 1p8g s ALA 32 CO 0.00 -0.30 0.91 1.33 0.00 0.00 0.00 175.76 177.70 1p8g n VAL 33 N 0.96 0.11 -2.12 0.00 0.24 -1.24 -0.23 118.33 116.06 1p8g n VAL 33 Ca -0.20 -3.39 -0.42 0.00 -2.04 0.00 0.00 64.34 58.28 1p8g n VAL 33 Cb 0.58 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 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 0.16 3.63 -1.75 6.34 -0.00 0.49 -4.85 115.22 119.23 1p8g n HIS 34 Ca 0.16 -2.93 -0.42 0.00 0.46 0.00 0.00 57.72 54.98 1p8g n HIS 34 Cb 0.72 -2.36 -0.03 0.00 -0.12 0.00 0.00 29.99 28.19 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 2.39 2.17 -0.40 3.57 0.11 -1.26 -1.14 120.40 125.84 1p8g s VAL 35 Ca 0.45 0.08 0.11 0.00 -2.93 0.00 0.00 61.98 59.69 1p8g s VAL 35 Cb 0.10 -3.05 0.37 0.00 -1.53 0.00 0.00 36.38 32.27 1p8g s VAL 35 CO -0.03 0.01 1.02 0.59 -3.33 0.00 0.00 175.10 173.35 1p8g n ASN 36 N 4.23 -0.61 0.25 3.54 4.13 -0.53 -4.96 115.26 121.31 1p8g n ASN 36 Ca 0.16 -3.07 0.10 0.00 1.68 0.00 0.00 54.58 53.45 1p8g n ASN 36 Cb 0.36 0.54 0.70 0.00 -1.54 0.00 0.00 39.78 39.84 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 2.81 0.00 -1.59 3.41 8.10 -1.80 0.25 115.31 126.48 1p8g h LEU 37 Ca -0.07 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.88 1p8g h LEU 37 Cb 1.11 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.33 1p8g h LEU 37 CO 0.27 0.00 -0.13 -0.33 -4.11 0.00 0.00 178.44 174.15 1p8g h GLU 38 N 0.00 0.10 -0.00 0.17 5.08 -1.94 0.11 114.58 118.10 1p8g h GLU 38 Ca 0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1p8g h GLU 38 Cb 0.07 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1p8g h GLU 38 CO -0.00 0.24 -0.15 0.00 -1.00 0.00 0.00 179.01 178.10 1p8g n ALA 39 N -2.50 2.79 -1.21 3.43 0.00 0.84 -4.93 120.51 118.93 1p8g n ALA 39 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1p8g n ALA 39 Cb 0.23 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 1.38 0.64 3.73 0.00 0.00 0.38 -5.04 105.19 106.29 1p8g n GLY 40 Ca 0.11 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.55 1.77 -0.17 1.61 1.02 -1.03 -4.88 119.74 115.51 1p8g s LYS 41 Ca 0.00 -1.20 -0.19 0.00 0.02 0.00 0.00 55.97 54.60 1p8g s LYS 41 Cb 0.00 0.55 0.05 0.00 -0.52 0.00 0.00 37.83 37.91 1p8g s LYS 41 CO 0.00 -0.79 0.53 0.54 -0.92 0.00 0.00 175.35 174.71 1p8g s VAL 42 N -3.67 0.01 -0.59 3.17 0.11 -1.26 -1.45 120.40 116.71 1p8g s VAL 42 Ca 0.17 -0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.16 1p8g s VAL 42 Cb -0.04 -0.76 0.15 0.00 -1.53 0.00 0.00 36.38 34.21 1p8g s VAL 42 CO 0.09 -0.02 0.39 -0.62 -3.33 0.00 0.00 175.10 171.61 1p8g s ASP 43 N 0.01 5.12 -0.35 3.54 2.15 -0.29 -4.10 116.67 122.75 1p8g s ASP 43 Ca -0.02 -2.79 -0.05 0.00 0.43 0.00 0.00 52.55 50.11 1p8g s ASP 43 Cb -0.04 -1.82 0.06 0.00 -0.30 0.00 0.00 42.92 40.82 1p8g s ASP 43 CO 0.02 -0.37 0.11 0.68 -0.17 0.00 0.00 175.17 175.44 1p8g s VAL 44 N 0.02 3.59 -0.46 1.11 -7.23 0.31 -0.38 120.40 117.37 1p8g s VAL 44 Ca 0.16 -1.33 -0.16 0.00 -1.81 0.00 0.00 61.98 58.84 1p8g s VAL 44 Cb -0.21 -3.11 0.06 0.00 0.56 0.00 0.00 36.38 33.67 1p8g s VAL 44 CO -0.03 -0.26 0.42 -0.44 -0.31 0.00 0.00 175.10 174.48 1p8g s SER 45 N 1.51 6.16 0.21 4.85 0.01 0.68 -1.12 113.70 125.99 1p8g s SER 45 Ca -0.01 -1.11 -0.00 0.00 1.31 0.00 0.00 55.95 56.13 1p8g s SER 45 Cb -0.20 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 1p8g s SER 45 CO 0.01 -0.65 0.13 0.72 0.41 0.00 0.00 173.24 173.87 1p8g s PHE 46 N 1.86 1.22 -1.23 2.43 -0.12 -1.01 0.09 117.98 121.21 1p8g s PHE 46 Ca 0.07 -1.37 -0.10 0.00 -0.05 0.00 0.00 56.93 55.48 1p8g s PHE 46 Cb -0.22 -0.60 0.19 0.00 -0.63 0.00 0.00 43.02 41.76 1p8g s PHE 46 CO 0.09 -0.62 1.68 -3.47 -0.05 0.00 0.00 175.22 172.86 1p8g n ASP 47 N -0.34 5.28 -0.38 1.98 2.03 -1.20 -0.24 116.55 123.68 1p8g n ASP 47 Ca 0.02 -3.10 0.32 0.00 0.52 0.00 0.00 54.79 52.54 1p8g n ASP 47 Cb 0.66 -1.48 0.59 0.00 -0.72 0.00 0.00 41.12 40.17 1p8g n ASP 47 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1p8g h ALA 48 N 6.12 2.38 0.21 -1.67 0.00 -1.89 0.25 119.26 124.67 1p8g h ALA 48 Ca 0.34 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.43 1p8g h ALA 48 Cb 0.70 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1p8g h ALA 48 CO 1.47 -1.04 -0.40 0.22 0.00 0.00 0.00 179.25 179.50 1p8g h ASP 49 N 0.14 -1.15 0.32 0.00 1.82 -1.98 -2.95 116.42 112.63 1p8g h ASP 49 Ca 0.80 0.12 -0.33 0.00 -0.39 0.00 0.00 57.03 57.23 1p8g h ASP 49 Cb 2.22 0.42 0.03 0.00 0.68 0.00 0.00 39.33 42.68 1p8g h ASP 49 CO -0.54 -0.50 -1.47 0.50 -1.61 0.00 0.00 179.24 175.62 1p8g h LYS 50 N -0.69 0.48 -2.92 0.28 1.63 -1.07 -3.43 116.57 110.85 1p8g h LYS 50 Ca 0.00 -0.83 -0.50 0.00 -0.85 0.00 0.00 60.65 58.48 1p8g h LYS 50 Cb 0.68 0.31 -0.40 0.00 -0.60 0.00 0.00 32.23 32.22 1p8g h LYS 50 CO -0.18 1.39 -0.77 0.14 -3.45 0.00 0.00 179.45 176.59 1p8g s VAL 51 N -2.61 -0.05 0.80 2.00 -7.23 0.53 -5.12 120.40 108.71 1p8g s VAL 51 Ca -0.09 -0.52 -0.12 0.00 -1.81 0.00 0.00 61.98 59.45 1p8g s VAL 51 Cb 0.05 -0.82 0.08 0.00 0.56 0.00 0.00 36.38 36.24 1p8g s VAL 51 CO 0.93 -0.53 1.14 -0.44 -0.31 0.00 0.00 175.10 175.89 1p8g s SER 52 N 2.11 3.91 0.29 4.85 0.01 -1.12 -3.09 113.70 120.66 1p8g s SER 52 Ca 0.06 2.12 0.04 0.00 1.31 0.00 0.00 55.95 59.47 1p8g s SER 52 Cb -0.16 -2.56 0.76 0.00 0.21 0.00 0.00 66.02 64.27 1p8g s SER 52 CO -0.25 -2.44 1.43 1.33 0.41 0.00 0.00 173.24 173.72 1p8g n VAL 53 N -3.45 -0.38 0.23 3.43 0.24 -1.26 -0.23 118.33 116.91 1p8g n VAL 53 Ca 0.11 1.99 -0.15 0.00 -2.04 0.00 0.00 64.34 64.26 1p8g n VAL 53 Cb 0.52 -2.94 -0.08 0.00 -1.47 0.00 0.00 33.84 29.87 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 -0.78 -0.98 7.34 3.64 -1.92 0.50 116.57 124.38 1p8g h LYS 54 Ca 0.58 0.05 0.22 0.00 -1.27 0.00 0.00 60.65 60.24 1p8g h LYS 54 Cb 1.25 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 33.16 1p8g h LYS 54 CO -0.84 -0.52 0.63 -0.44 -2.27 0.00 0.00 179.45 176.01 1p8g h ASP 55 N -0.81 0.50 0.36 4.20 5.19 -0.93 0.27 116.42 125.20 1p8g h ASP 55 Ca -0.05 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.41 1p8g h ASP 55 Cb 0.71 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.20 1p8g h ASP 55 CO -0.06 0.16 -0.17 0.40 -3.12 0.00 0.00 179.24 176.45 1p8g h ILE 56 N 0.48 0.61 -0.80 0.35 1.08 -0.41 -2.46 117.51 116.36 1p8g h ILE 56 Ca 0.54 -0.51 0.10 0.00 -0.39 0.00 0.00 64.86 64.60 1p8g h ILE 56 Cb 1.24 0.85 -0.08 0.00 -3.07 0.00 0.00 36.82 35.77 1p8g h ILE 56 CO -0.26 0.09 0.44 0.00 -0.69 0.00 0.00 178.15 177.73 1p8g h ALA 57 N -0.29 1.15 -0.69 1.87 0.00 0.16 0.30 119.26 121.74 1p8g h ALA 57 Ca -0.05 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1p8g h ALA 57 Cb 0.52 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1p8g h ALA 57 CO 0.08 0.04 0.41 -0.44 0.00 0.00 0.00 179.25 179.34 1p8g h ASP 58 N 0.72 0.83 -0.65 0.00 3.32 -0.64 -1.16 116.42 118.84 1p8g h ASP 58 Ca 0.40 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 1p8g h ASP 58 Cb 0.41 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1p8g h ASP 58 CO -0.27 0.64 0.33 0.00 -1.72 0.00 0.00 179.24 178.23 1p8g h ALA 59 N 1.50 1.32 -0.33 3.45 0.00 0.08 0.12 119.26 125.40 1p8g h ALA 59 Ca 0.25 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1p8g h ALA 59 Cb -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1p8g h ALA 59 CO -0.05 0.53 -0.04 0.82 0.00 0.00 0.00 179.25 180.52 1p8g h ILE 60 N 0.95 1.21 -0.56 0.00 5.03 -0.81 -1.97 117.51 121.35 1p8g h ILE 60 Ca 0.23 -0.85 0.07 0.00 -0.12 0.00 0.00 64.86 64.19 1p8g h ILE 60 Cb 0.08 1.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.81 1p8g h ILE 60 CO -0.03 0.29 0.24 -0.08 -0.68 0.00 0.00 178.15 177.89 1p8g h GLU 61 N 0.50 0.44 -0.82 2.37 4.22 0.05 -1.15 114.58 120.18 1p8g h GLU 61 Ca 0.10 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.52 1p8g h GLU 61 Cb 0.38 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1p8g h GLU 61 CO 0.02 0.29 0.53 -0.44 -2.18 0.00 0.00 179.01 177.23 1p8g h ASP 62 N 0.46 0.96 -2.80 1.04 3.32 -0.77 -3.35 116.42 115.28 1p8g h ASP 62 Ca 0.27 -0.03 -0.61 0.00 0.02 0.00 0.00 57.03 56.68 1p8g h ASP 62 Cb 0.26 -0.24 -0.41 0.00 0.22 0.00 0.00 39.33 39.16 1p8g h ASP 62 CO -0.24 0.71 -0.70 0.00 -1.72 0.00 0.00 179.24 177.29 1p8g n GLN 63 N -4.40 1.40 -1.22 3.56 6.02 -0.53 -4.95 117.38 117.26 1p8g n GLN 63 Ca 0.09 -4.11 0.00 0.00 -0.01 0.00 0.00 57.00 52.97 1p8g n GLN 63 Cb 0.04 -2.09 0.00 0.00 1.02 0.00 0.00 30.24 29.21 1p8g n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1p8g n GLY 64 N 2.11 -0.64 3.56 1.08 0.00 -0.65 -4.69 105.19 105.97 1p8g n GLY 64 Ca 0.23 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1p8g n GLY 64 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1p8g s TYR 65 N -0.72 1.64 -0.42 1.61 1.13 -1.08 -4.63 117.35 114.88 1p8g s TYR 65 Ca 0.00 0.99 0.11 0.00 -1.41 0.00 0.00 57.07 56.76 1p8g s TYR 65 Cb 0.00 -3.88 0.36 0.00 -1.10 0.00 0.00 41.96 37.34 1p8g s TYR 65 CO 0.00 -1.66 0.82 -0.25 -2.51 0.00 0.00 175.55 171.96 1p8g n ASP 66 N 15.27 1.94 -3.54 -0.18 9.92 -1.26 -4.87 116.55 133.83 1p8g n ASP 66 Ca 0.42 -3.17 -0.29 0.00 -0.53 0.00 0.00 54.79 51.22 1p8g n ASP 66 Cb 0.46 -0.59 -0.14 0.00 -0.64 0.00 0.00 41.12 40.21 1p8g n ASP 66 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1p8g s VAL 67 N -3.13 0.10 0.01 2.53 -7.23 -1.26 -3.36 120.40 108.06 1p8g s VAL 67 Ca 0.41 -1.08 -0.04 0.00 -1.81 0.00 0.00 61.98 59.47 1p8g s VAL 67 Cb 0.35 -1.10 -0.02 0.00 0.56 0.00 0.00 36.38 36.17 1p8g s VAL 67 CO -0.09 -0.79 1.06 0.00 -0.31 0.00 0.00 175.10 174.98 1p8g h ALA 68 N 8.03 -0.56 0.00 1.32 0.00 -0.72 -3.46 119.26 123.87 1p8g h ALA 68 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1p8g h ALA 68 Cb 1.00 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1p8g h ALA 68 CO 0.40 -0.57 0.00 1.17 0.00 0.00 0.00 179.25 180.25 1p8g n LYS 69 N -2.81 -0.52 -2.10 0.00 4.81 -0.19 -4.98 118.16 112.36 1p8g n LYS 69 Ca -0.01 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.02 1p8g n LYS 69 Cb 0.04 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.07 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 2.93 -0.00 3.15 1.10 -1.26 0.58 121.20 125.70 1p8g s ILE 70 Ca 0.00 0.76 -0.31 0.00 -0.51 0.00 0.00 60.65 60.58 1p8g s ILE 70 Cb 0.00 -3.48 -0.10 0.00 0.15 0.00 0.00 42.46 39.03 1p8g s ILE 70 CO 0.00 0.11 1.95 -0.62 -2.11 0.00 0.00 174.94 174.27 1p8g n GLU 71 N 2.74 2.65 -2.25 3.50 1.02 -0.87 -3.20 120.64 124.23 1p8g n GLU 71 Ca 0.08 0.97 -0.01 0.00 -0.02 0.00 0.00 57.16 58.17 1p8g n GLU 71 Cb 0.41 -2.90 0.00 0.00 -0.02 0.00 0.00 31.44 28.94 1p8g n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p8g n GLY 72 N 4.52 0.54 0.00 0.62 0.00 -1.26 -4.89 105.19 104.71 1p8g n GLY 72 Ca 0.21 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1p8g n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19