#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 0.39 -3.64 0.03 -0.04 -1.26 -5.01 135.00 125.47 1xhj n PRO 2 Ca 0.00 0.15 -0.04 0.00 -0.04 0.00 0.00 63.50 63.56 1xhj n PRO 2 Cb 0.00 -1.43 -0.07 0.00 -0.04 0.00 0.00 33.50 31.96 1xhj n PRO 2 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1xhj s THR 3 N -1.67 0.00 -0.37 0.52 2.01 -1.26 -5.03 115.64 109.84 1xhj s THR 3 Ca 0.63 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.68 1xhj s THR 3 Cb -0.53 -1.00 0.44 0.00 0.01 0.00 0.00 72.50 71.42 1xhj s THR 3 CO 0.59 0.00 1.46 -1.84 -0.69 0.00 0.00 174.62 174.14 1xhj n GLU 4 N 3.86 2.35 -0.13 4.92 0.28 -1.26 -4.13 120.64 126.53 1xhj n GLU 4 Ca -0.19 -1.87 -0.25 0.00 -0.16 0.00 0.00 57.16 54.69 1xhj n GLU 4 Cb 0.58 -1.81 -0.10 0.00 1.43 0.00 0.00 31.44 31.54 1xhj n GLU 4 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1xhj n ASN 5 N -0.19 1.90 -4.32 -1.84 4.05 -1.26 -4.71 115.26 108.89 1xhj n ASN 5 Ca 0.30 0.20 -0.43 0.00 0.45 0.00 0.00 54.58 55.09 1xhj n ASN 5 Cb 1.08 -0.66 0.00 0.00 1.23 0.00 0.00 39.78 41.43 1xhj n ASN 5 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1xhj n PRO 6 N -3.90 3.15 -0.69 1.20 -0.05 -1.26 -4.95 135.00 128.49 1xhj n PRO 6 Ca -0.49 -3.18 -0.15 0.00 -0.05 0.00 0.00 63.50 59.63 1xhj n PRO 6 Cb 0.89 -3.37 0.12 0.00 -0.05 0.00 0.00 33.50 31.08 1xhj n PRO 6 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 1xhj n THR 7 N 5.74 0.00 0.05 0.52 -2.24 -1.26 -4.66 114.28 112.43 1xhj n THR 7 Ca 0.48 -0.34 -0.16 0.00 -2.27 0.00 0.00 64.05 61.77 1xhj n THR 7 Cb 0.43 -1.36 -0.10 0.00 -2.10 0.00 0.00 70.33 67.21 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 -0.63 -1.20 -0.78 2.86 -2.00 -0.55 114.93 112.63 1xhj h MET 8 Ca -0.21 0.04 0.37 0.00 -2.06 0.00 0.00 59.70 57.85 1xhj h MET 8 Cb 0.62 0.14 -0.12 0.00 0.06 0.00 0.00 31.60 32.30 1xhj h MET 8 CO 0.14 -0.42 0.76 0.35 1.06 0.00 0.00 176.91 178.80 1xhj h PHE 9 N -0.66 0.61 0.70 -0.22 3.57 -1.99 0.71 116.94 119.68 1xhj h PHE 9 Ca 0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1xhj h PHE 9 Cb 0.72 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 39.30 1xhj h PHE 9 CO -0.52 -0.14 -0.34 -0.44 -2.23 0.00 0.00 178.31 174.64 1xhj h ASP 10 N 0.19 -0.80 0.40 0.41 5.19 -1.43 -2.25 116.42 118.13 1xhj h ASP 10 Ca 0.75 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 57.18 1xhj h ASP 10 Cb 2.17 0.21 -0.01 0.00 0.18 0.00 0.00 39.33 41.87 1xhj h ASP 10 CO -0.42 -0.47 -0.30 -0.61 -3.12 0.00 0.00 179.24 174.32 1xhj h GLN 11 N -1.15 -0.67 0.11 3.56 4.15 -0.61 0.16 115.11 120.66 1xhj h GLN 11 Ca -0.10 0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.37 1xhj h GLN 11 Cb 0.72 0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.54 1xhj h GLN 11 CO 0.16 -0.45 -0.34 -0.39 -1.93 0.00 0.00 178.83 175.88 1xhj h VAL 12 N -0.70 0.00 -1.03 2.39 -1.51 -1.05 0.97 116.25 115.33 1xhj h VAL 12 Ca -0.04 0.00 0.28 0.00 -1.23 0.00 0.00 66.70 65.71 1xhj h VAL 12 Cb 0.60 0.00 -0.12 0.00 -2.13 0.00 0.00 31.29 29.63 1xhj h VAL 12 CO 0.00 0.00 0.62 0.00 -1.23 0.00 0.00 177.57 176.96 1xhj h ALA 13 N -0.95 1.98 0.49 5.19 0.00 -1.40 1.15 119.26 125.73 1xhj h ALA 13 Ca -0.01 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1xhj h ALA 13 Cb 0.50 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xhj h ALA 13 CO -0.16 -0.49 -0.24 1.49 0.00 0.00 0.00 179.25 179.85 1xhj h GLU 14 N 0.45 -0.64 -0.41 0.00 4.22 0.12 -1.26 114.58 117.06 1xhj h GLU 14 Ca 0.67 0.04 -0.01 0.00 0.08 0.00 0.00 59.36 60.14 1xhj h GLU 14 Cb 1.48 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.85 1xhj h GLU 14 CO -0.47 -0.43 0.20 -0.39 -2.18 0.00 0.00 179.01 175.75 1xhj h VAL 15 N -0.78 1.17 0.31 0.32 -1.51 0.19 -0.22 116.25 115.74 1xhj h VAL 15 Ca -0.07 -0.49 -0.01 0.00 -1.23 0.00 0.00 66.70 64.91 1xhj h VAL 15 Cb 0.51 0.74 -0.02 0.00 -2.13 0.00 0.00 31.29 30.39 1xhj h VAL 15 CO 0.11 0.19 -0.41 0.40 -1.23 0.00 0.00 177.57 176.63 1xhj h ILE 16 N 0.52 0.00 -0.67 7.19 1.08 0.12 0.20 117.51 125.95 1xhj h ILE 16 Ca 0.14 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.79 1xhj h ILE 16 Cb 0.11 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.83 1xhj h ILE 16 CO -0.02 0.00 0.47 -0.08 -0.69 0.00 0.00 178.15 177.83 1xhj h GLU 17 N -0.74 0.13 0.04 2.37 4.81 -1.19 0.82 114.58 120.81 1xhj h GLU 17 Ca -0.04 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1xhj h GLU 17 Cb 0.67 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1xhj h GLU 17 CO -0.10 0.08 -0.02 -0.09 -0.73 0.00 0.00 179.01 178.15 1xhj h ARG 18 N 0.13 -0.06 0.00 1.92 2.43 0.32 -3.18 114.38 115.95 1xhj h ARG 18 Ca 0.33 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.47 1xhj h ARG 18 Cb 1.11 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1xhj h ARG 18 CO -0.04 0.29 -0.14 -0.07 -1.51 0.00 0.00 179.97 178.49 1xhj h LEU 19 N -0.41 0.00 -0.86 3.80 4.07 0.45 -3.36 115.31 119.00 1xhj h LEU 19 Ca -0.01 0.00 0.30 0.00 0.08 0.00 0.00 57.88 58.26 1xhj h LEU 19 Cb 0.37 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 41.95 1xhj h LEU 19 CO 0.01 0.14 0.24 -1.14 -1.08 0.00 0.00 178.44 176.61 1xhj n ARG 20 N -3.15 -0.06 0.11 1.13 0.63 0.27 0.11 116.66 115.71 1xhj n ARG 20 Ca 0.03 1.24 -0.02 0.00 -0.92 0.00 0.00 57.85 58.19 1xhj n ARG 20 Cb 0.57 -2.10 0.03 0.00 0.45 0.00 0.00 32.46 31.40 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 0.00 0.02 -0.14 0.11 -1.76 -3.11 132.00 127.12 1xhj h PRO 21 Ca 0.63 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.65 1xhj h PRO 21 Cb 1.52 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.63 1xhj h PRO 21 CO -0.74 0.73 -0.36 0.74 -0.21 0.00 0.00 178.00 178.15 1xhj h PHE 22 N 0.00 0.32 -0.88 0.65 -1.00 0.53 -3.14 116.94 113.42 1xhj h PHE 22 Ca -0.01 -0.19 0.10 0.00 2.81 0.00 0.00 57.97 60.68 1xhj h PHE 22 Cb 1.43 -0.03 -0.06 0.00 3.61 0.00 0.00 35.95 40.90 1xhj h PHE 22 CO 0.00 1.04 0.57 -0.07 -1.61 0.00 0.00 178.31 178.24 1xhj h LEU 23 N -0.49 0.77 0.41 1.54 3.38 -0.91 -2.08 115.31 117.93 1xhj h LEU 23 Ca -0.05 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1xhj h LEU 23 Cb 1.16 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1xhj h LEU 23 CO 0.07 0.44 -0.32 0.25 0.09 0.00 0.00 178.44 178.98 1xhj h LEU 24 N 0.84 -0.83 -1.48 1.67 6.46 0.21 2.52 115.31 124.70 1xhj h LEU 24 Ca 0.41 0.06 0.15 0.00 -0.12 0.00 0.00 57.88 58.38 1xhj h LEU 24 Cb 0.45 0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 40.59 1xhj h LEU 24 CO -0.18 -0.47 0.53 0.03 -0.62 0.00 0.00 178.44 177.73 1xhj h ARG 25 N -0.72 0.49 0.00 1.25 3.08 -1.34 -3.33 114.38 113.80 1xhj h ARG 25 Ca -0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1xhj h ARG 25 Cb 0.62 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1xhj h ARG 25 CO -0.00 0.32 -0.86 -0.25 -1.07 0.00 0.00 179.97 178.11 1xhj n ASP 26 N -4.51 1.72 0.00 7.04 8.00 -0.92 -4.99 116.55 122.90 1xhj n ASP 26 Ca 0.16 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.95 1xhj n ASP 26 Cb 0.52 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1xhj n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xhj n GLY 27 N 1.56 -0.38 0.00 0.44 0.00 0.75 -5.08 105.19 102.48 1xhj n GLY 27 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 2.30 1.78 2.91 -0.02 0.00 0.42 -4.77 105.19 107.82 1xhj n GLY 28 Ca 0.00 0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 2.00 1.82 0.33 1.61 1.01 -1.01 0.19 116.67 122.61 1xhj s ASP 29 Ca 0.00 -0.24 0.01 0.00 0.71 0.00 0.00 52.55 53.02 1xhj s ASP 29 Cb 0.00 -0.72 -0.03 0.00 1.01 0.00 0.00 42.92 43.18 1xhj s ASP 29 CO 0.00 -0.09 0.52 0.00 0.21 0.00 0.00 175.17 175.82 1xhj s THR 31 N -2.26 -0.32 -0.12 0.00 2.01 -0.51 -4.92 115.64 109.51 1xhj s THR 31 Ca 0.39 0.15 -0.29 0.00 0.31 0.00 0.00 61.69 62.25 1xhj s THR 31 Cb -0.10 -0.59 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 1xhj s THR 31 CO 0.35 0.06 1.14 -0.22 -0.69 0.00 0.00 174.62 175.26 1xhj s LEU 32 N 2.00 4.22 -0.14 4.42 2.96 -1.26 -1.47 118.68 129.41 1xhj s LEU 32 Ca -0.05 1.64 0.07 0.00 -0.22 0.00 0.00 54.13 55.57 1xhj s LEU 32 Cb -0.10 -3.55 -0.23 0.00 0.50 0.00 0.00 46.19 42.80 1xhj s LEU 32 CO -0.12 -0.61 0.30 0.52 -1.32 0.00 0.00 176.35 175.12 1xhj n VAL 33 N 4.91 1.59 -3.64 1.68 0.31 -0.87 -5.00 118.33 117.31 1xhj n VAL 33 Ca 0.11 -0.73 -0.09 0.00 -0.01 0.00 0.00 64.34 63.62 1xhj n VAL 33 Cb 0.46 -1.16 -0.07 0.00 -0.91 0.00 0.00 33.84 32.16 1xhj n VAL 33 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xhj s ASP 34 N -6.29 -0.46 -0.21 4.52 2.15 -1.23 -4.99 116.67 110.18 1xhj s ASP 34 Ca -0.16 0.87 -0.08 0.00 0.43 0.00 0.00 52.55 53.62 1xhj s ASP 34 Cb 0.07 0.90 -0.04 0.00 -0.30 0.00 0.00 42.92 43.56 1xhj s ASP 34 CO 0.77 -0.15 0.07 0.54 -0.17 0.00 0.00 175.17 176.24 1xhj s VAL 35 N 0.29 4.71 -0.46 1.11 0.11 -1.26 -1.82 120.40 123.07 1xhj s VAL 35 Ca 0.03 -0.05 0.06 0.00 -2.93 0.00 0.00 61.98 59.08 1xhj s VAL 35 Cb -0.05 -3.15 0.19 0.00 -1.53 0.00 0.00 36.38 31.85 1xhj s VAL 35 CO -0.07 0.41 0.57 1.21 -3.33 0.00 0.00 175.10 173.89 1xhj n GLU 36 N 3.98 0.44 0.00 1.54 2.13 -1.25 -5.00 120.64 122.48 1xhj n GLU 36 Ca -0.16 -2.60 0.00 0.00 0.66 0.00 0.00 57.16 55.06 1xhj n GLU 36 Cb 0.52 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.71 1xhj n GLU 36 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1xhj n ASP 37 N 2.58 0.00 -0.01 4.31 2.03 -1.26 0.35 116.55 124.55 1xhj n ASP 37 Ca 0.22 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.55 1xhj n ASP 37 Cb 0.53 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.89 1xhj n ASP 37 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xhj n GLY 38 N 0.00 -0.26 2.53 0.27 0.00 -1.26 -4.76 105.19 101.71 1xhj n GLY 38 Ca 0.00 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.78 4.37 -2.94 -0.61 -0.00 0.15 -4.07 119.36 114.49 1xhj n ILE 39 Ca -0.02 -3.40 -0.42 0.00 -0.00 0.00 0.00 62.75 58.91 1xhj n ILE 39 Cb 0.23 -2.44 -0.05 0.00 -0.00 0.00 0.00 39.64 37.39 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 1.28 4.84 0.14 1.39 1.01 -1.26 -3.84 120.40 123.96 1xhj s VAL 40 Ca 0.56 1.37 -0.24 0.00 0.00 0.00 0.00 61.98 63.67 1xhj s VAL 40 Cb 0.16 -4.10 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 1xhj s VAL 40 CO -0.06 -0.12 0.73 -0.54 0.00 0.00 0.00 175.10 175.10 1xhj s LYS 41 N 2.84 4.49 0.20 2.72 1.02 -0.76 -2.01 119.74 128.24 1xhj s LYS 41 Ca 0.33 1.06 -0.01 0.00 0.02 0.00 0.00 55.97 57.37 1xhj s LYS 41 Cb -0.15 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 1xhj s LYS 41 CO 0.09 0.57 0.12 -0.51 -0.92 0.00 0.00 175.35 174.71 1xhj s LEU 42 N -1.07 1.23 -0.18 3.17 1.43 0.20 -2.04 118.68 121.41 1xhj s LEU 42 Ca 0.34 -1.37 -0.04 0.00 -1.03 0.00 0.00 54.13 52.03 1xhj s LEU 42 Cb -0.22 0.35 0.08 0.00 0.03 0.00 0.00 46.19 46.44 1xhj s LEU 42 CO 0.24 -0.82 0.23 -1.10 0.23 0.00 0.00 176.35 175.13 1xhj s GLN 43 N -4.14 0.17 -0.53 1.70 -0.21 -0.54 -2.03 119.66 114.08 1xhj s GLN 43 Ca 0.38 0.35 -0.21 0.00 0.02 0.00 0.00 55.36 55.89 1xhj s GLN 43 Cb 0.07 -0.88 0.05 0.00 1.00 0.00 0.00 33.01 33.25 1xhj s GLN 43 CO 0.11 -0.55 0.75 -1.17 -2.12 0.00 0.00 175.29 172.31 1xhj s LEU 44 N 2.34 4.62 -1.11 2.90 2.96 -1.04 -1.42 118.68 127.94 1xhj s LEU 44 Ca 0.06 -0.69 -0.22 0.00 -0.22 0.00 0.00 54.13 53.06 1xhj s LEU 44 Cb -0.15 -2.60 0.04 0.00 0.50 0.00 0.00 46.19 43.98 1xhj s LEU 44 CO -0.11 -1.03 1.62 -1.00 -1.32 0.00 0.00 176.35 174.51 1xhj s HIS 45 N 3.17 2.50 -0.91 5.38 3.76 0.21 -4.33 115.29 125.07 1xhj s HIS 45 Ca 0.21 -0.86 -0.20 0.00 -0.15 0.00 0.00 55.06 54.06 1xhj s HIS 45 Cb -0.17 -4.61 0.10 0.00 1.11 0.00 0.00 32.58 29.02 1xhj s HIS 45 CO 0.15 -1.83 1.18 0.20 -0.85 0.00 0.00 174.74 173.58 1xhj s GLY 46 N 5.14 1.68 0.00 -2.22 0.00 -1.26 -2.41 107.32 108.25 1xhj s GLY 46 Ca 0.52 -2.49 0.06 0.00 0.00 0.00 0.00 44.72 42.81 1xhj s GLY 46 CO -0.02 2.18 0.82 0.00 0.00 0.00 0.00 173.10 176.09 1xhj n ALA 47 N 7.30 1.76 -2.33 3.20 0.00 -1.26 -3.49 120.51 125.70 1xhj n ALA 47 Ca 0.22 -0.04 -0.40 0.00 0.00 0.00 0.00 53.44 53.22 1xhj n ALA 47 Cb 0.49 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.84 1xhj n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xhj s GLY 49 N -0.67 0.79 0.00 0.00 0.00 -1.23 -4.45 107.32 101.76 1xhj s GLY 49 Ca 0.46 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.85 1xhj s GLY 49 CO -0.14 3.52 0.00 -0.37 0.00 0.00 0.00 173.10 176.11 1xhj n THR 50 N 7.24 0.00 -2.98 0.90 5.66 -1.26 -5.04 114.28 118.79 1xhj n THR 50 Ca 0.25 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 61.10 1xhj n THR 50 Cb 0.45 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 1xhj n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xhj s PRO 52 N -0.69 3.93 0.28 0.00 0.02 -1.26 -4.88 135.00 132.40 1xhj s PRO 52 Ca 0.33 1.16 0.24 0.00 0.02 0.00 0.00 61.00 62.75 1xhj s PRO 52 Cb 0.25 -3.85 0.39 0.00 0.02 0.00 0.00 34.50 31.31 1xhj s PRO 52 CO -0.13 -1.10 1.49 0.66 -0.33 0.00 0.00 177.00 177.60 1xhj h SER 53 N 9.05 0.00 0.01 2.53 4.64 -1.99 -3.34 113.55 124.45 1xhj h SER 53 Ca -0.25 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 1xhj h SER 53 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1xhj h SER 53 CO 1.04 0.02 -0.06 0.28 -0.87 0.00 0.00 176.83 177.24 1xhj h SER 54 N 0.00 0.04 -1.01 4.97 0.02 -2.00 -3.27 113.55 112.30 1xhj h SER 54 Ca 0.00 -0.93 0.39 0.00 -0.84 0.00 0.00 61.79 60.41 1xhj h SER 54 Cb 0.89 -0.01 -0.17 0.00 0.14 0.00 0.00 62.40 63.25 1xhj h SER 54 CO 0.00 0.96 0.56 0.74 -1.14 0.00 0.00 176.83 177.95 1xhj h THR 55 N -0.88 0.10 0.32 -2.27 2.02 -1.99 1.22 112.91 111.44 1xhj h THR 55 Ca -0.01 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1xhj h THR 55 Cb 0.98 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1xhj h THR 55 CO 0.01 0.02 -0.15 0.40 0.37 0.00 0.00 175.52 176.17 1xhj h ILE 56 N 0.11 0.70 -0.51 3.11 2.04 -1.72 -0.40 117.51 120.85 1xhj h ILE 56 Ca 0.81 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 66.52 1xhj h ILE 56 Cb 2.07 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 1xhj h ILE 56 CO -0.70 0.03 0.16 0.74 0.00 0.00 0.00 178.15 178.38 1xhj h THR 57 N -0.49 1.20 0.49 -0.27 2.02 0.55 -2.81 112.91 113.60 1xhj h THR 57 Ca -0.04 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 1xhj h THR 57 Cb 0.37 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1xhj h THR 57 CO 0.07 0.26 -0.37 0.25 0.37 0.00 0.00 175.52 176.09 1xhj h LEU 58 N 0.73 -0.98 -0.38 2.58 5.85 0.15 0.18 115.31 123.44 1xhj h LEU 58 Ca 0.17 0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.04 1xhj h LEU 58 Cb 0.21 0.31 -0.09 0.00 0.37 0.00 0.00 40.66 41.46 1xhj h LEU 58 CO -0.01 -0.55 -0.34 0.50 -0.34 0.00 0.00 178.44 177.70 1xhj h LYS 59 N -0.85 -0.26 0.00 1.25 3.64 -0.92 1.00 116.57 120.42 1xhj h LYS 59 Ca -0.05 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xhj h LYS 59 Cb 0.72 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1xhj h LYS 59 CO 0.01 -0.18 -0.00 0.00 -2.27 0.00 0.00 179.45 177.01 1xhj h ALA 60 N 0.69 1.16 -0.12 5.00 0.00 -1.29 -1.20 119.26 123.50 1xhj h ALA 60 Ca 0.16 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1xhj h ALA 60 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xhj h ALA 60 CO -0.53 0.00 -0.40 0.78 0.00 0.00 0.00 179.25 179.11 1xhj h GLY 61 N 0.03 0.53 0.99 0.00 0.00 0.40 -2.64 103.07 102.38 1xhj h GLY 61 Ca -0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.59 1xhj h GLY 61 CO 0.00 0.62 -0.42 -2.22 0.00 0.00 0.00 176.54 174.52 1xhj h ILE 62 N 0.08 0.12 -0.67 2.60 2.04 0.23 -0.40 117.51 121.50 1xhj h ILE 62 Ca -0.01 -0.04 0.12 0.00 1.00 0.00 0.00 64.86 65.93 1xhj h ILE 62 Cb 1.02 0.12 -0.13 0.00 -0.74 0.00 0.00 36.82 37.10 1xhj h ILE 62 CO 0.08 0.00 -0.30 -0.08 0.00 0.00 0.00 178.15 177.86 1xhj h GLU 63 N -1.21 -0.10 -0.92 2.37 4.57 -1.57 0.85 114.58 118.57 1xhj h GLU 63 Ca -0.12 0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.20 1xhj h GLU 63 Cb 0.91 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 29.43 1xhj h GLU 63 CO 0.20 -0.07 0.54 -0.09 -1.18 0.00 0.00 179.01 178.41 1xhj h ARG 64 N -0.10 0.78 -0.32 1.92 2.43 -1.31 0.11 114.38 117.88 1xhj h ARG 64 Ca 0.28 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1xhj h ARG 64 Cb 0.55 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1xhj h ARG 64 CO -0.73 0.52 0.15 0.00 -1.51 0.00 0.00 179.97 178.40 1xhj h ALA 65 N 1.54 0.39 0.92 2.80 0.00 0.24 0.45 119.26 125.60 1xhj h ALA 65 Ca 0.48 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 1xhj h ALA 65 Cb 0.58 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xhj h ALA 65 CO -0.31 -0.23 -0.47 -0.07 0.00 0.00 0.00 179.25 178.17 1xhj h LEU 66 N 0.32 -1.15 0.16 0.00 3.38 0.90 1.63 115.31 120.54 1xhj h LEU 66 Ca 0.13 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1xhj h LEU 66 Cb 0.06 0.31 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1xhj h LEU 66 CO -0.10 -0.78 -0.38 0.45 0.09 0.00 0.00 178.44 177.72 1xhj h HIS 67 N -1.28 -1.07 0.00 1.13 3.86 -1.04 0.03 115.15 116.79 1xhj h HIS 67 Ca -0.12 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1xhj h HIS 67 Cb 0.99 0.45 0.00 0.00 1.06 0.00 0.00 27.41 29.91 1xhj h HIS 67 CO -0.04 -0.49 0.00 0.39 0.86 0.00 0.00 177.93 178.65 1xhj n GLU 68 N -5.46 0.08 -3.29 2.45 -0.58 0.16 -4.09 120.64 109.91 1xhj n GLU 68 Ca -0.07 0.35 -0.08 0.00 -0.42 0.00 0.00 57.16 56.94 1xhj n GLU 68 Cb 0.37 -1.67 -0.05 0.00 -0.57 0.00 0.00 31.44 29.52 1xhj n GLU 68 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1xhj s GLU 69 N -3.15 0.46 0.00 3.49 2.56 0.55 -4.98 118.70 117.63 1xhj s GLU 69 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 54.97 55.10 1xhj s GLU 69 Cb 0.09 -0.27 0.00 0.00 2.00 0.00 0.00 34.13 35.94 1xhj s GLU 69 CO 0.29 -1.06 0.00 0.28 -0.56 0.00 0.00 175.26 174.22 1xhj n VAL 70 N 5.25 -1.27 0.00 3.70 0.31 -0.56 -3.58 118.33 122.18 1xhj n VAL 70 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1xhj n VAL 70 Cb 0.50 -2.69 0.00 0.00 -0.91 0.00 0.00 33.84 30.73 1xhj n VAL 70 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1xhj n PRO 71 N -0.39 2.43 0.00 5.55 -0.02 -1.15 -4.13 135.00 137.29 1xhj n PRO 71 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1xhj n PRO 71 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.53 1xhj n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xhj n GLY 72 N 3.47 3.12 3.77 -1.23 0.00 -1.26 -4.94 105.19 108.11 1xhj n GLY 72 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1xhj n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xhj s VAL 73 N -1.72 2.62 0.00 1.61 1.01 -1.26 -4.57 120.40 118.09 1xhj s VAL 73 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1xhj s VAL 73 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1xhj s VAL 73 CO 0.00 0.09 0.00 -0.38 0.00 0.00 0.00 175.10 174.81 1xhj n ILE 74 N 0.22 0.00 -3.15 2.22 5.41 -1.26 -5.03 119.36 117.77 1xhj n ILE 74 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.83 1xhj n ILE 74 Cb 0.43 -0.53 -0.01 0.00 -0.71 0.00 0.00 39.64 38.82 1xhj n ILE 74 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1xhj s GLU 75 N -1.96 0.43 0.84 0.38 2.12 -1.26 -5.08 118.70 114.18 1xhj s GLU 75 Ca 0.00 0.73 -0.10 0.00 0.36 0.00 0.00 54.97 55.96 1xhj s GLU 75 Cb 0.00 0.40 0.15 0.00 0.26 0.00 0.00 34.13 34.94 1xhj s GLU 75 CO 0.00 -0.51 1.17 0.54 -0.54 0.00 0.00 175.26 175.93 1xhj s VAL 76 N 2.89 2.08 -0.41 3.70 0.11 -1.26 -3.95 120.40 123.57 1xhj s VAL 76 Ca 0.13 -0.21 0.04 0.00 -2.93 0.00 0.00 61.98 59.01 1xhj s VAL 76 Cb -0.13 -2.87 0.16 0.00 -1.53 0.00 0.00 36.38 32.01 1xhj s VAL 76 CO -0.18 0.00 0.42 -1.61 -3.33 0.00 0.00 175.10 170.39 1xhj s GLU 77 N -5.56 0.78 -0.76 1.54 2.02 -0.85 -4.91 118.70 110.96 1xhj s GLU 77 Ca 0.69 -1.28 -0.12 0.00 0.02 0.00 0.00 54.97 54.28 1xhj s GLU 77 Cb -0.06 -0.84 0.20 0.00 0.10 0.00 0.00 34.13 33.53 1xhj s GLU 77 CO 0.49 -1.27 0.67 -1.14 0.02 0.00 0.00 175.26 174.02 1xhj s GLN 78 N 0.92 3.31 0.63 1.61 -0.44 -1.26 0.58 119.66 125.02 1xhj s GLN 78 Ca 0.24 -2.41 0.02 0.00 -2.50 0.00 0.00 55.36 50.70 1xhj s GLN 78 Cb -0.08 -4.26 0.08 0.00 -1.64 0.00 0.00 33.01 27.12 1xhj s GLN 78 CO -0.07 -1.27 0.88 0.14 0.50 0.00 0.00 175.29 175.47 1xhj s VAL 79 N 0.23 2.36 0.37 1.34 -7.23 -0.86 -4.88 120.40 111.72 1xhj s VAL 79 Ca 0.16 -0.68 0.05 0.00 -1.81 0.00 0.00 61.98 59.70 1xhj s VAL 79 Cb -0.14 -2.67 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 1xhj s VAL 79 CO -0.07 0.00 0.53 -0.36 -0.31 0.00 0.00 175.10 174.89 1xhj s PHE 80 N -2.92 3.16 0.00 2.82 0.08 -1.26 -2.48 117.98 117.37 1xhj s PHE 80 Ca 0.62 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.59 1xhj s PHE 80 Cb -0.07 -2.08 0.00 0.00 -0.57 0.00 0.00 43.02 40.30 1xhj s PHE 80 CO 0.41 -0.11 0.16 -0.11 -0.10 0.00 0.00 175.22 175.48 1xhj n LEU 81 N -1.77 0.59 -3.64 -0.37 7.94 -1.26 -4.91 117.00 113.59 1xhj n LEU 81 Ca 0.00 0.47 -0.04 0.00 -1.11 0.00 0.00 56.01 55.34 1xhj n LEU 81 Cb 0.58 -0.38 -0.06 0.00 0.53 0.00 0.00 43.42 44.09 1xhj n LEU 81 CO 0.44 -0.38 1.09 -1.61 -1.11 0.00 0.00 177.39 175.82 1xhj s GLU 82 N -1.09 0.14 -0.02 1.96 2.02 -1.26 -5.10 118.70 115.35 1xhj s GLU 82 Ca 0.00 0.10 -0.01 0.00 0.02 0.00 0.00 54.97 55.08 1xhj s GLU 82 Cb 0.00 0.07 -0.00 0.00 0.10 0.00 0.00 34.13 34.29 1xhj s GLU 82 CO 0.00 -0.03 -0.02 0.45 0.02 0.00 0.00 175.26 175.68 1xhj h HIS 83 N 2.75 0.00 -1.46 1.61 3.86 -2.01 -3.48 115.15 116.42 1xhj h HIS 83 Ca -0.19 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 58.88 1xhj h HIS 83 Cb 1.19 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 29.40 1xhj h HIS 83 CO 0.22 0.00 -0.50 -1.58 0.86 0.00 0.00 177.93 176.93 1xhj s HIS 84 N -1.16 -1.24 -0.42 2.45 5.65 -1.26 -5.08 115.29 114.22 1xhj s HIS 84 Ca -0.02 0.36 0.07 0.00 0.25 0.00 0.00 55.06 55.72 1xhj s HIS 84 Cb 0.00 -0.00 0.18 0.00 -1.18 0.00 0.00 32.58 31.58 1xhj s HIS 84 CO 0.02 -1.04 0.59 -1.58 -0.65 0.00 0.00 174.74 172.09 1xhj s HIS 85 N 2.37 -1.39 -0.20 3.88 5.04 -1.26 -5.02 115.29 118.71 1xhj s HIS 85 Ca 0.12 -0.14 -0.18 0.00 -1.54 0.00 0.00 55.06 53.32 1xhj s HIS 85 Cb -0.11 0.16 -0.20 0.00 0.04 0.00 0.00 32.58 32.47 1xhj s HIS 85 CO -0.23 -1.15 0.18 0.72 -2.34 0.00 0.00 174.74 171.93 1xhj n HIS 86 N 4.10 0.96 -4.45 3.88 -0.00 -1.26 -5.00 115.22 113.46 1xhj n HIS 86 Ca 0.13 0.36 -0.22 0.00 -0.00 0.00 0.00 57.72 57.99 1xhj n HIS 86 Cb 0.54 -1.10 -0.10 0.00 -0.00 0.00 0.00 29.99 29.33 1xhj n HIS 86 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1xhj s HIS 87 N -2.42 2.03 -2.00 4.41 -3.43 -1.26 -5.32 115.29 107.31 1xhj s HIS 87 Ca -0.29 -0.67 0.24 0.00 -0.80 0.00 0.00 55.06 53.54 1xhj s HIS 87 Cb 0.07 -1.17 1.43 0.00 -1.43 0.00 0.00 32.58 31.49 1xhj s HIS 87 CO 0.62 0.33 1.80 -2.39 -2.00 0.00 0.00 174.74 173.09