#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhj n PRO 2 N 0.00 -0.58 0.00 0.03 -0.02 -1.26 -5.07 135.00 128.11 1xhj n PRO 2 Ca 0.00 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1xhj n PRO 2 Cb 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 33.50 33.39 1xhj n PRO 2 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1xhj n THR 3 N -2.36 0.00 -0.85 3.45 -2.24 -1.26 -4.75 114.28 106.27 1xhj n THR 3 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1xhj n THR 3 Cb 0.04 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 1xhj n THR 3 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1xhj n GLU 4 N 0.00 -1.06 -0.05 -0.78 4.07 -1.26 -4.83 120.64 116.73 1xhj n GLU 4 Ca 0.00 0.27 -0.11 0.00 -0.06 0.00 0.00 57.16 57.26 1xhj n GLU 4 Cb 0.00 -4.49 -0.05 0.00 -0.06 0.00 0.00 31.44 26.84 1xhj n GLU 4 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 1xhj h ASN 5 N 0.00 0.24 -1.69 4.31 -1.24 -2.02 -3.37 115.58 111.81 1xhj h ASN 5 Ca 0.00 -0.18 -0.56 0.00 0.71 0.00 0.00 56.30 56.27 1xhj h ASN 5 Cb 0.53 -0.06 -0.09 0.00 0.73 0.00 0.00 38.32 39.43 1xhj h ASN 5 CO 0.00 0.35 1.27 -2.16 -1.29 0.00 0.00 177.43 175.61 1xhj s PRO 6 N -5.50 3.35 0.66 6.67 0.05 -1.26 -5.00 135.00 133.97 1xhj s PRO 6 Ca -0.14 -0.65 -0.11 0.00 0.05 0.00 0.00 61.00 60.15 1xhj s PRO 6 Cb 0.07 -4.79 0.16 0.00 0.05 0.00 0.00 34.50 29.99 1xhj s PRO 6 CO 0.70 -2.23 0.69 0.25 0.05 0.00 0.00 177.00 176.46 1xhj n THR 7 N 6.70 0.00 -0.16 1.26 -2.24 -1.26 -4.80 114.28 113.77 1xhj n THR 7 Ca 0.19 -0.39 -0.02 0.00 -2.27 0.00 0.00 64.05 61.56 1xhj n THR 7 Cb 0.50 -1.36 0.06 0.00 -2.10 0.00 0.00 70.33 67.43 1xhj n THR 7 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1xhj h MET 8 N 0.00 0.08 -1.00 -0.78 2.86 -1.95 0.01 114.93 114.14 1xhj h MET 8 Ca -0.24 -0.00 0.38 0.00 -2.06 0.00 0.00 59.70 57.77 1xhj h MET 8 Cb 0.71 -0.02 -0.18 0.00 0.06 0.00 0.00 31.60 32.18 1xhj h MET 8 CO 0.16 0.05 0.39 0.35 1.06 0.00 0.00 176.91 178.92 1xhj h PHE 9 N 0.08 0.57 0.74 -0.22 3.57 -1.98 0.25 116.94 119.96 1xhj h PHE 9 Ca 0.26 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 1xhj h PHE 9 Cb 0.39 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.06 1xhj h PHE 9 CO -0.35 -0.46 -0.36 0.22 -2.23 0.00 0.00 178.31 175.13 1xhj h ASP 10 N 0.01 -0.85 0.92 0.41 3.58 -1.30 -1.90 116.42 117.29 1xhj h ASP 10 Ca 0.78 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 58.19 1xhj h ASP 10 Cb 1.94 0.22 0.01 0.00 1.72 0.00 0.00 39.33 43.22 1xhj h ASP 10 CO -0.81 -0.55 -0.44 1.56 -2.88 0.00 0.00 179.24 176.12 1xhj h GLN 11 N -1.09 -1.18 -0.34 0.28 7.50 -0.60 -0.28 115.11 119.39 1xhj h GLN 11 Ca -0.10 0.08 0.04 0.00 0.50 0.00 0.00 58.65 59.17 1xhj h GLN 11 Cb 0.78 0.27 -0.07 0.00 0.05 0.00 0.00 27.48 28.51 1xhj h GLN 11 CO 0.17 -0.79 -0.49 -0.39 -1.50 0.00 0.00 178.83 175.83 1xhj h VAL 12 N -1.28 0.00 -0.85 -0.54 -1.51 -0.84 1.38 116.25 112.61 1xhj h VAL 12 Ca -0.13 0.00 0.15 0.00 -1.23 0.00 0.00 66.70 65.49 1xhj h VAL 12 Cb 0.94 0.00 -0.09 0.00 -2.13 0.00 0.00 31.29 30.01 1xhj h VAL 12 CO 0.21 0.00 0.44 0.00 -1.23 0.00 0.00 177.57 176.98 1xhj h ALA 13 N -0.23 1.28 0.65 5.19 0.00 -1.39 0.53 119.26 125.29 1xhj h ALA 13 Ca 0.06 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1xhj h ALA 13 Cb 0.52 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1xhj h ALA 13 CO -0.51 -0.08 -0.31 1.49 0.00 0.00 0.00 179.25 179.83 1xhj h GLU 14 N 0.63 -0.84 -0.47 0.00 4.22 0.13 -2.11 114.58 116.14 1xhj h GLU 14 Ca 0.46 0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.95 1xhj h GLU 14 Cb 0.65 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1xhj h GLU 14 CO -0.36 -0.56 0.26 -0.39 -2.18 0.00 0.00 179.01 175.78 1xhj h VAL 15 N -1.05 1.17 -0.02 0.32 -1.51 0.19 -2.12 116.25 113.23 1xhj h VAL 15 Ca -0.09 -0.42 0.03 0.00 -1.23 0.00 0.00 66.70 64.99 1xhj h VAL 15 Cb 0.66 0.59 -0.04 0.00 -2.13 0.00 0.00 31.29 30.38 1xhj h VAL 15 CO 0.15 0.18 -0.18 0.40 -1.23 0.00 0.00 177.57 176.88 1xhj h ILE 16 N 0.62 0.57 -0.87 7.19 2.04 -0.03 0.98 117.51 128.02 1xhj h ILE 16 Ca 0.17 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.14 1xhj h ILE 16 Cb 0.05 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 1xhj h ILE 16 CO -0.03 0.00 0.56 -0.33 0.00 0.00 0.00 178.15 178.35 1xhj h GLU 17 N -0.28 0.74 0.16 2.37 5.08 -1.23 2.20 114.58 123.63 1xhj h GLU 17 Ca 0.06 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1xhj h GLU 17 Cb 0.36 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1xhj h GLU 17 CO -0.18 0.49 -0.08 -0.09 -1.00 0.00 0.00 179.01 178.15 1xhj h ARG 18 N 0.76 -0.21 0.00 2.33 2.43 -0.57 -3.13 114.38 115.99 1xhj h ARG 18 Ca 0.42 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.59 1xhj h ARG 18 Cb 0.55 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1xhj h ARG 18 CO -0.18 0.13 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.27 1xhj h LEU 19 N -0.57 0.00 -0.68 3.80 4.07 -0.28 -3.36 115.31 118.29 1xhj h LEU 19 Ca -0.02 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.01 1xhj h LEU 19 Cb 0.43 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.09 1xhj h LEU 19 CO 0.04 0.06 -0.38 -1.14 -1.08 0.00 0.00 178.44 175.93 1xhj n ARG 20 N -3.14 -0.28 -0.46 1.13 0.63 0.74 0.13 116.66 115.41 1xhj n ARG 20 Ca 0.02 1.03 0.38 0.00 -0.92 0.00 0.00 57.85 58.36 1xhj n ARG 20 Cb 0.46 -1.52 0.67 0.00 0.45 0.00 0.00 32.46 32.51 1xhj n ARG 20 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1xhj h PRO 21 N 0.00 0.08 0.01 -0.14 0.10 -1.76 0.85 132.00 131.14 1xhj h PRO 21 Ca 0.13 -0.00 -0.00 0.00 0.10 0.00 0.00 66.00 66.22 1xhj h PRO 21 Cb 0.30 -0.02 0.00 0.00 0.10 0.00 0.00 31.00 31.38 1xhj h PRO 21 CO -0.65 0.05 -0.00 0.35 0.10 0.00 0.00 178.00 177.86 1xhj h PHE 22 N 0.08 -0.01 -0.49 0.65 3.04 0.80 -2.93 116.94 118.09 1xhj h PHE 22 Ca 0.81 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.79 1xhj h PHE 22 Cb 2.64 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 41.12 1xhj h PHE 22 CO -0.00 0.82 0.28 -0.07 -2.02 0.00 0.00 178.31 177.32 1xhj h LEU 23 N -0.90 0.45 -0.78 0.59 -0.00 -0.01 -2.06 115.31 112.60 1xhj h LEU 23 Ca -0.00 0.01 0.11 0.00 -0.00 0.00 0.00 57.88 58.00 1xhj h LEU 23 Cb 0.83 -0.09 -0.08 0.00 -0.00 0.00 0.00 40.66 41.33 1xhj h LEU 23 CO 0.00 0.32 0.40 0.25 -0.00 0.00 0.00 178.44 179.41 1xhj h LEU 24 N 0.57 0.52 0.53 1.67 6.46 0.12 2.15 115.31 127.31 1xhj h LEU 24 Ca 0.20 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 58.01 1xhj h LEU 24 Cb 0.03 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 1xhj h LEU 24 CO -0.10 0.27 -0.41 0.03 -0.62 0.00 0.00 178.44 177.62 1xhj h ARG 25 N 0.64 -0.87 0.00 1.25 2.47 -1.18 -3.09 114.38 113.61 1xhj h ARG 25 Ca 0.40 0.06 -0.22 0.00 -1.26 0.00 0.00 59.98 58.96 1xhj h ARG 25 Cb 0.46 0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.95 1xhj h ARG 25 CO -0.30 -0.58 -1.69 -0.25 0.56 0.00 0.00 179.97 177.71 1xhj n ASP 26 N -4.91 1.83 0.00 7.04 9.92 -1.07 -4.50 116.55 124.85 1xhj n ASP 26 Ca -0.11 0.31 0.04 0.00 -0.53 0.00 0.00 54.79 54.51 1xhj n ASP 26 Cb 0.39 -0.73 0.26 0.00 -0.64 0.00 0.00 41.12 40.41 1xhj n ASP 26 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xhj n GLY 27 N 1.52 -0.58 7.00 0.44 0.00 0.45 -4.98 105.19 109.05 1xhj n GLY 27 Ca -0.32 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1xhj n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xhj n GLY 28 N 0.11 0.34 3.82 -0.02 0.00 0.62 -4.70 105.19 105.36 1xhj n GLY 28 Ca 0.07 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 1xhj n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xhj s ASP 29 N -4.00 7.00 0.14 1.61 1.01 -0.96 -2.03 116.67 119.45 1xhj s ASP 29 Ca 0.00 1.26 0.06 0.00 0.71 0.00 0.00 52.55 54.58 1xhj s ASP 29 Cb 0.00 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 1xhj s ASP 29 CO 0.00 0.15 -0.14 0.00 0.21 0.00 0.00 175.17 175.39 1xhj s THR 31 N -2.40 -0.53 -0.20 0.00 2.01 -0.05 -4.96 115.64 109.51 1xhj s THR 31 Ca 0.13 0.22 -0.29 0.00 0.31 0.00 0.00 61.69 62.05 1xhj s THR 31 Cb -0.03 -0.57 -0.00 0.00 0.01 0.00 0.00 72.50 71.91 1xhj s THR 31 CO 0.04 0.09 1.14 -0.22 -0.69 0.00 0.00 174.62 174.98 1xhj s LEU 32 N 2.50 4.13 -0.11 4.42 0.20 -1.26 -1.16 118.68 127.41 1xhj s LEU 32 Ca -0.01 1.51 0.13 0.00 0.69 0.00 0.00 54.13 56.45 1xhj s LEU 32 Cb -0.12 -3.54 -0.24 0.00 -0.43 0.00 0.00 46.19 41.86 1xhj s LEU 32 CO -0.11 -0.72 0.41 0.55 -0.29 0.00 0.00 176.35 176.19 1xhj n VAL 33 N 5.36 1.54 -3.61 1.68 3.14 -1.20 -5.00 118.33 120.25 1xhj n VAL 33 Ca 0.13 -0.80 -0.12 0.00 -2.96 0.00 0.00 64.34 60.59 1xhj n VAL 33 Cb 0.46 -0.90 -0.07 0.00 -1.06 0.00 0.00 33.84 32.27 1xhj n VAL 33 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1xhj s ASP 34 N -5.96 -0.55 -0.02 6.55 -1.08 -1.26 -5.04 116.67 109.31 1xhj s ASP 34 Ca -0.09 0.93 0.02 0.00 -0.52 0.00 0.00 52.55 52.89 1xhj s ASP 34 Cb 0.07 0.90 -0.03 0.00 -1.46 0.00 0.00 42.92 42.40 1xhj s ASP 34 CO 0.81 -0.27 -0.05 0.54 0.52 0.00 0.00 175.17 176.73 1xhj s VAL 35 N -0.14 3.84 -0.30 1.11 0.11 -1.26 -1.53 120.40 122.23 1xhj s VAL 35 Ca -0.00 -0.61 0.04 0.00 -2.93 0.00 0.00 61.98 58.47 1xhj s VAL 35 Cb -0.04 -2.65 0.20 0.00 -1.53 0.00 0.00 36.38 32.36 1xhj s VAL 35 CO -0.01 0.46 0.66 -0.70 -3.33 0.00 0.00 175.10 172.19 1xhj s GLU 36 N -1.24 0.52 0.63 1.54 2.12 -1.26 -4.98 118.70 116.03 1xhj s GLU 36 Ca 0.16 0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.91 1xhj s GLU 36 Cb -0.11 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.49 1xhj s GLU 36 CO 0.06 -0.94 0.00 -0.25 -0.54 0.00 0.00 175.26 173.59 1xhj n ASP 37 N 5.27 0.00 0.00 -1.70 8.00 -1.26 0.82 116.55 127.68 1xhj n ASP 37 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1xhj n ASP 37 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1xhj n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xhj n GLY 38 N 0.00 0.66 2.55 0.44 0.00 -1.26 -4.86 105.19 102.72 1xhj n GLY 38 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1xhj n GLY 38 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xhj n ILE 39 N -0.64 4.69 -2.62 -0.61 -0.00 0.24 -3.88 119.36 116.53 1xhj n ILE 39 Ca 0.00 -3.86 -0.42 0.00 -0.00 0.00 0.00 62.75 58.47 1xhj n ILE 39 Cb 0.00 -2.30 -0.03 0.00 -0.00 0.00 0.00 39.64 37.31 1xhj n ILE 39 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 1xhj s VAL 40 N 0.28 4.63 0.27 1.39 1.01 -1.26 -4.10 120.40 122.62 1xhj s VAL 40 Ca 0.53 1.91 -0.14 0.00 0.00 0.00 0.00 61.98 64.29 1xhj s VAL 40 Cb 0.16 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 1xhj s VAL 40 CO -0.06 0.02 0.67 -0.54 0.00 0.00 0.00 175.10 175.18 1xhj s LYS 41 N 1.95 3.98 0.18 2.72 1.02 -0.58 -2.56 119.74 126.45 1xhj s LYS 41 Ca 0.51 0.57 -0.05 0.00 0.02 0.00 0.00 55.97 57.02 1xhj s LYS 41 Cb -0.20 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.48 1xhj s LYS 41 CO 0.20 0.27 0.21 -0.51 -0.92 0.00 0.00 175.35 174.60 1xhj s LEU 42 N -2.69 1.09 -0.06 3.17 1.43 0.38 -3.24 118.68 118.75 1xhj s LEU 42 Ca 0.49 -1.15 -0.03 0.00 -1.03 0.00 0.00 54.13 52.42 1xhj s LEU 42 Cb -0.12 0.80 0.04 0.00 0.03 0.00 0.00 46.19 46.94 1xhj s LEU 42 CO 0.19 -0.88 0.12 -1.10 0.23 0.00 0.00 176.35 174.91 1xhj s GLN 43 N -4.07 -0.01 0.67 1.70 1.11 -0.31 -1.82 119.66 116.94 1xhj s GLN 43 Ca 0.28 0.47 -0.06 0.00 0.01 0.00 0.00 55.36 56.06 1xhj s GLN 43 Cb 0.05 -0.36 0.04 0.00 -1.01 0.00 0.00 33.01 31.74 1xhj s GLN 43 CO 0.06 -0.30 0.98 -1.17 0.01 0.00 0.00 175.29 174.87 1xhj s LEU 44 N 2.15 2.94 -0.49 2.90 2.96 -1.03 -0.87 118.68 127.24 1xhj s LEU 44 Ca 0.03 0.53 0.06 0.00 -0.22 0.00 0.00 54.13 54.53 1xhj s LEU 44 Cb -0.12 -3.24 0.22 0.00 0.50 0.00 0.00 46.19 43.55 1xhj s LEU 44 CO -0.05 -1.44 0.84 1.41 -1.32 0.00 0.00 176.35 175.80 1xhj n HIS 45 N -2.82 -3.37 -1.89 5.38 8.25 0.95 -4.39 115.22 117.32 1xhj n HIS 45 Ca 0.07 -1.49 -0.04 0.00 -0.26 0.00 0.00 57.72 56.00 1xhj n HIS 45 Cb 0.60 1.50 -0.03 0.00 1.12 0.00 0.00 29.99 33.17 1xhj n HIS 45 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xhj n GLY 46 N 2.27 0.18 0.00 -1.41 0.00 -1.26 -2.26 105.19 102.72 1xhj n GLY 46 Ca 0.13 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1xhj n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhj n ALA 47 N -0.11 2.54 -1.42 4.61 0.00 -1.26 -4.58 120.51 120.28 1xhj n ALA 47 Ca -0.16 -0.14 -0.38 0.00 0.00 0.00 0.00 53.44 52.76 1xhj n ALA 47 Cb 0.54 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 1xhj n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xhj n GLY 49 N 5.03 0.14 3.64 0.00 0.00 -1.26 -5.04 105.19 107.70 1xhj n GLY 49 Ca 0.48 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 46.25 1xhj n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xhj n THR 50 N -0.42 -4.74 -2.95 2.61 -2.24 -1.24 -3.70 114.28 101.61 1xhj n THR 50 Ca -0.09 -0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 1xhj n THR 50 Cb 0.58 -3.76 0.01 0.00 -2.10 0.00 0.00 70.33 65.06 1xhj n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xhj s PRO 52 N -2.43 3.99 0.36 0.00 0.02 -1.24 -4.88 135.00 130.81 1xhj s PRO 52 Ca 0.24 1.66 0.23 0.00 0.02 0.00 0.00 61.00 63.15 1xhj s PRO 52 Cb -0.06 -3.93 0.30 0.00 0.02 0.00 0.00 34.50 30.83 1xhj s PRO 52 CO 0.77 -1.05 1.48 0.66 -0.33 0.00 0.00 177.00 178.54 1xhj h SER 53 N 9.64 0.00 0.07 2.53 4.64 -1.90 -3.31 113.55 125.21 1xhj h SER 53 Ca -0.31 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 60.78 1xhj h SER 53 Cb 1.13 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.24 1xhj h SER 53 CO 0.99 0.00 -0.92 0.77 -0.87 0.00 0.00 176.83 176.81 1xhj h SER 54 N 0.00 0.69 -0.83 4.97 4.64 -2.00 -3.16 113.55 117.86 1xhj h SER 54 Ca 0.00 -0.81 0.14 0.00 -0.47 0.00 0.00 61.79 60.65 1xhj h SER 54 Cb 0.97 -0.22 -0.09 0.00 -0.31 0.00 0.00 62.40 62.76 1xhj h SER 54 CO 0.00 1.43 0.43 0.74 -0.87 0.00 0.00 176.83 178.55 1xhj h THR 55 N 0.05 0.75 -0.45 2.95 2.02 -1.95 0.35 112.91 116.63 1xhj h THR 55 Ca -0.13 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1xhj h THR 55 Cb 1.63 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1xhj h THR 55 CO 0.18 0.11 0.30 0.40 0.37 0.00 0.00 175.52 176.88 1xhj h ILE 56 N 0.63 1.12 -0.28 3.11 1.08 -1.67 0.61 117.51 122.10 1xhj h ILE 56 Ca 0.45 -0.21 -0.03 0.00 -0.39 0.00 0.00 64.86 64.68 1xhj h ILE 56 Cb 0.60 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 1xhj h ILE 56 CO -0.35 0.11 0.06 0.74 -0.69 0.00 0.00 178.15 178.02 1xhj h THR 57 N 0.61 1.22 0.00 -0.27 2.02 -1.02 -2.10 112.91 113.37 1xhj h THR 57 Ca 0.16 -0.75 0.02 0.00 0.77 0.00 0.00 66.41 66.61 1xhj h THR 57 Cb -0.07 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1xhj h THR 57 CO -0.04 0.24 -0.09 0.25 0.37 0.00 0.00 175.52 176.25 1xhj h LEU 58 N 0.28 -0.27 -0.47 2.58 5.85 -0.10 0.19 115.31 123.38 1xhj h LEU 58 Ca 0.09 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.94 1xhj h LEU 58 Cb 0.31 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.37 1xhj h LEU 58 CO 0.00 -0.14 -0.11 0.50 -0.34 0.00 0.00 178.44 178.36 1xhj h LYS 59 N -0.16 0.01 0.00 1.25 3.64 -0.81 0.33 116.57 120.82 1xhj h LYS 59 Ca 0.04 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1xhj h LYS 59 Cb 0.21 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1xhj h LYS 59 CO -0.10 0.00 -0.08 0.00 -2.27 0.00 0.00 179.45 177.01 1xhj h ALA 60 N 1.46 1.80 0.53 5.00 0.00 -0.91 0.39 119.26 127.54 1xhj h ALA 60 Ca 0.23 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1xhj h ALA 60 Cb 0.34 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1xhj h ALA 60 CO -0.48 0.10 -0.26 0.78 0.00 0.00 0.00 179.25 179.40 1xhj h GLY 61 N 0.25 -0.74 0.98 0.00 0.00 0.17 -2.71 103.07 101.02 1xhj h GLY 61 Ca -0.00 0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 1xhj h GLY 61 CO 0.01 -0.27 0.28 0.16 0.00 0.00 0.00 176.54 176.72 1xhj h ILE 62 N -1.07 1.18 -0.23 2.60 3.07 -1.03 -1.74 117.51 120.29 1xhj h ILE 62 Ca -0.07 -0.46 0.03 0.00 1.55 0.00 0.00 64.86 65.90 1xhj h ILE 62 Cb 0.62 0.54 -0.04 0.00 -0.27 0.00 0.00 36.82 37.67 1xhj h ILE 62 CO 0.12 0.19 -0.27 -0.08 -1.05 0.00 0.00 178.15 177.06 1xhj h GLU 63 N 0.69 -0.17 -0.45 0.16 4.81 -0.97 1.58 114.58 120.23 1xhj h GLU 63 Ca 0.18 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.49 1xhj h GLU 63 Cb 0.06 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.42 1xhj h GLU 63 CO -0.03 -0.11 0.12 -0.09 -0.73 0.00 0.00 179.01 178.17 1xhj h ARG 64 N -0.18 0.26 -0.29 1.92 2.43 -1.44 -1.22 114.38 115.87 1xhj h ARG 64 Ca 0.04 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1xhj h ARG 64 Cb 0.28 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1xhj h ARG 64 CO -0.31 0.17 0.13 0.00 -1.51 0.00 0.00 179.97 178.46 1xhj h ALA 65 N 1.32 0.35 -0.58 2.80 0.00 -0.36 -2.33 119.26 120.46 1xhj h ALA 65 Ca 0.22 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.21 1xhj h ALA 65 Cb 0.25 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1xhj h ALA 65 CO -0.26 -0.26 0.28 -0.07 0.00 0.00 0.00 179.25 178.94 1xhj h LEU 66 N 0.28 0.37 0.15 0.00 3.38 0.29 0.72 115.31 120.49 1xhj h LEU 66 Ca 0.12 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1xhj h LEU 66 Cb 0.06 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1xhj h LEU 66 CO -0.10 0.24 -0.33 0.45 0.09 0.00 0.00 178.44 178.79 1xhj h HIS 67 N 0.51 -0.91 0.00 1.13 3.86 -0.79 1.42 115.15 120.37 1xhj h HIS 67 Ca 0.27 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.42 1xhj h HIS 67 Cb 0.23 0.38 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 1xhj h HIS 67 CO -0.12 -0.44 -0.39 0.93 0.86 0.00 0.00 177.93 178.77 1xhj h GLU 68 N -0.58 0.00 0.00 2.45 5.08 -1.04 0.28 114.58 120.78 1xhj h GLU 68 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1xhj h GLU 68 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1xhj h GLU 68 CO -0.18 0.39 -0.33 -1.91 -1.00 0.00 0.00 179.01 175.98 1xhj n GLU 69 N -3.94 0.09 -2.85 2.33 4.07 0.25 -4.30 120.64 116.28 1xhj n GLU 69 Ca -0.02 0.04 -0.11 0.00 -0.06 0.00 0.00 57.16 57.01 1xhj n GLU 69 Cb 0.44 -1.57 0.05 0.00 -0.06 0.00 0.00 31.44 30.30 1xhj n GLU 69 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1xhj n VAL 70 N -1.70 0.07 -1.45 6.31 0.31 0.48 -5.00 118.33 117.34 1xhj n VAL 70 Ca 0.05 -2.56 -0.45 0.00 -0.01 0.00 0.00 64.34 61.38 1xhj n VAL 70 Cb 0.37 0.81 -0.01 0.00 -0.91 0.00 0.00 33.84 34.10 1xhj n VAL 70 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1xhj n PRO 71 N 0.12 0.49 0.00 5.55 -0.04 0.95 -4.10 135.00 137.97 1xhj n PRO 71 Ca 0.10 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1xhj n PRO 71 Cb 0.73 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 1xhj n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xhj n GLY 72 N 1.79 1.96 3.76 0.55 0.00 -1.26 -5.08 105.19 106.91 1xhj n GLY 72 Ca 0.13 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1xhj n GLY 72 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xhj s VAL 73 N -0.12 2.63 -0.05 1.61 -7.23 -1.26 -4.77 120.40 111.20 1xhj s VAL 73 Ca 0.00 0.50 0.05 0.00 -1.81 0.00 0.00 61.98 60.72 1xhj s VAL 73 Cb 0.00 -3.27 -0.07 0.00 0.56 0.00 0.00 36.38 33.60 1xhj s VAL 73 CO 0.00 0.02 0.03 -0.38 -0.31 0.00 0.00 175.10 174.46 1xhj n ILE 74 N -0.46 0.36 -3.79 -0.62 5.41 -1.26 -5.05 119.36 113.95 1xhj n ILE 74 Ca 0.07 -0.24 -0.04 0.00 1.00 0.00 0.00 62.75 63.54 1xhj n ILE 74 Cb 0.46 -0.72 -0.01 0.00 -0.71 0.00 0.00 39.64 38.65 1xhj n ILE 74 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1xhj s GLU 75 N -2.17 1.38 0.09 0.38 0.41 -1.25 -5.03 118.70 112.51 1xhj s GLU 75 Ca -0.03 -0.78 -0.13 0.00 -0.41 0.00 0.00 54.97 53.62 1xhj s GLU 75 Cb 0.02 0.46 0.02 0.00 -1.78 0.00 0.00 34.13 32.85 1xhj s GLU 75 CO 0.24 -0.64 0.30 0.54 -0.49 0.00 0.00 175.26 175.21 1xhj s VAL 76 N -3.29 0.10 -0.11 2.63 0.11 -1.26 -3.89 120.40 114.69 1xhj s VAL 76 Ca 0.13 -0.82 -0.04 0.00 -2.93 0.00 0.00 61.98 58.33 1xhj s VAL 76 Cb -0.03 -1.17 0.05 0.00 -1.53 0.00 0.00 36.38 33.71 1xhj s VAL 76 CO 0.04 -0.45 0.14 -1.61 -3.33 0.00 0.00 175.10 169.89 1xhj s GLU 77 N -3.49 0.05 -0.53 1.54 2.02 -1.06 -4.99 118.70 112.24 1xhj s GLU 77 Ca 0.02 0.37 0.04 0.00 0.02 0.00 0.00 54.97 55.41 1xhj s GLU 77 Cb 0.02 -0.72 0.15 0.00 0.10 0.00 0.00 34.13 33.68 1xhj s GLU 77 CO -0.09 -0.43 0.32 -1.14 0.02 0.00 0.00 175.26 173.94 1xhj s GLN 78 N 2.26 1.76 0.78 1.61 0.74 -1.26 0.14 119.66 125.68 1xhj s GLN 78 Ca 0.04 -2.54 -0.04 0.00 0.05 0.00 0.00 55.36 52.87 1xhj s GLN 78 Cb -0.13 -2.82 0.15 0.00 1.10 0.00 0.00 33.01 31.31 1xhj s GLN 78 CO -0.07 -1.20 1.07 0.14 -0.55 0.00 0.00 175.29 174.68 1xhj s VAL 79 N -0.32 2.08 0.01 1.34 -7.23 -0.76 -4.81 120.40 110.71 1xhj s VAL 79 Ca 0.21 -0.48 0.03 0.00 -1.81 0.00 0.00 61.98 59.93 1xhj s VAL 79 Cb -0.17 -2.60 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 1xhj s VAL 79 CO -0.06 0.00 -0.05 -0.36 -0.31 0.00 0.00 175.10 174.32 1xhj s PHE 80 N -3.31 2.92 -1.00 2.82 0.08 -1.26 -2.46 117.98 115.77 1xhj s PHE 80 Ca 0.68 -0.02 -0.22 0.00 0.12 0.00 0.00 56.93 57.49 1xhj s PHE 80 Cb -0.05 -1.61 -0.12 0.00 -0.57 0.00 0.00 43.02 40.67 1xhj s PHE 80 CO 0.46 0.40 1.92 -0.11 -0.10 0.00 0.00 175.22 177.79 1xhj n LEU 81 N 1.45 3.48 -3.62 -0.37 7.94 -1.26 -4.20 117.00 120.42 1xhj n LEU 81 Ca -0.15 -3.05 -0.26 0.00 -1.11 0.00 0.00 56.01 51.44 1xhj n LEU 81 Cb 0.53 -1.47 0.03 0.00 0.53 0.00 0.00 43.42 43.04 1xhj n LEU 81 CO 0.32 -1.21 -0.04 -0.62 -1.11 0.00 0.00 177.39 174.72 1xhj n GLU 82 N 7.76 -1.24 -2.68 1.96 -0.58 -1.26 -4.87 120.64 119.72 1xhj n GLU 82 Ca 0.47 0.66 -0.43 0.00 -0.42 0.00 0.00 57.16 57.44 1xhj n GLU 82 Cb 0.44 -3.93 0.01 0.00 -0.57 0.00 0.00 31.44 27.39 1xhj n GLU 82 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1xhj n HIS 83 N -3.53 2.55 0.16 -0.32 8.25 -1.26 -4.30 115.22 116.76 1xhj n HIS 83 Ca -0.12 -2.67 0.00 0.00 -0.26 0.00 0.00 57.72 54.67 1xhj n HIS 83 Cb 0.60 -1.58 0.00 0.00 1.12 0.00 0.00 29.99 30.12 1xhj n HIS 83 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1xhj n HIS 84 N 2.52 -3.59 -1.01 4.41 -0.00 -1.26 -5.11 115.22 111.18 1xhj n HIS 84 Ca 0.33 1.00 0.00 0.00 -0.00 0.00 0.00 57.72 59.04 1xhj n HIS 84 Cb 0.35 2.49 0.00 0.00 -0.00 0.00 0.00 29.99 32.82 1xhj n HIS 84 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1xhj n HIS 85 N -3.23 0.00 -3.50 1.57 8.25 -1.26 -5.15 115.22 111.90 1xhj n HIS 85 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1xhj n HIS 85 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1xhj n HIS 85 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1xhj n HIS 86 N 0.00 -0.06 1.18 4.41 8.25 -1.26 -5.03 115.22 122.71 1xhj n HIS 86 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 1xhj n HIS 86 Cb 0.00 0.00 0.44 0.00 1.12 0.00 0.00 29.99 31.55 1xhj n HIS 86 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1xhj n HIS 87 N 0.00 0.00 -0.49 4.41 -0.00 -1.26 -5.20 115.22 112.68 1xhj n HIS 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1xhj n HIS 87 Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 29.99 29.76 1xhj n HIS 87 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06