#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 0.00 0.00 2.12 -0.05 -1.26 -5.03 135.00 130.78 1xhj n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 1xhj n PRO 2 Cb 0.00 -0.21 0.00 0.00 -0.05 0.00 0.00 33.50 33.24 1xhj n PRO 2 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 1xhj n THR 3 N -0.09 0.00 -1.30 0.52 -1.04 -1.26 -5.01 114.28 106.10 1xhj n THR 3 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1xhj n THR 3 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 1xhj n THR 3 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1xhj n GLU 4 N -1.08 -1.55 0.01 -2.82 1.02 -1.26 -4.86 120.64 110.10 1xhj n GLU 4 Ca 0.00 0.84 -0.10 0.00 -0.02 0.00 0.00 57.16 57.88 1xhj n GLU 4 Cb 0.00 -5.17 -0.05 0.00 -0.02 0.00 0.00 31.44 26.20 1xhj n GLU 4 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1xhj h ASN 5 N 0.00 -0.15 -1.15 1.62 -0.00 -2.05 -3.34 115.58 110.52 1xhj h ASN 5 Ca -0.21 0.04 -0.51 0.00 -0.00 0.00 0.00 56.30 55.61 1xhj h ASN 5 Cb 1.09 0.08 -0.08 0.00 -0.00 0.00 0.00 38.32 39.41 1xhj h ASN 5 CO 0.31 -0.06 1.27 -2.16 -0.00 0.00 0.00 177.43 176.78 1xhj s PRO 6 N -6.19 3.26 0.09 6.67 0.05 -1.26 -4.98 135.00 132.65 1xhj s PRO 6 Ca -0.13 -0.78 -0.02 0.00 0.05 0.00 0.00 61.00 60.12 1xhj s PRO 6 Cb 0.08 -5.15 0.02 0.00 0.05 0.00 0.00 34.50 29.50 1xhj s PRO 6 CO 0.67 -2.52 0.10 0.25 0.05 0.00 0.00 177.00 175.56 1xhj n THR 7 N 7.11 0.00 -0.21 1.26 -2.24 -1.26 -4.80 114.28 114.13 1xhj n THR 7 Ca 0.32 -0.06 0.02 0.00 -2.27 0.00 0.00 64.05 62.05 1xhj n THR 7 Cb 0.50 -1.51 0.13 0.00 -2.10 0.00 0.00 70.33 67.35 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 0.30 -1.32 -0.78 2.86 -1.94 -0.74 114.93 113.30 1xhj h MET 8 Ca -0.04 -0.02 0.45 0.00 -2.06 0.00 0.00 59.70 58.04 1xhj h MET 8 Cb 0.10 -0.07 -0.14 0.00 0.06 0.00 0.00 31.60 31.56 1xhj h MET 8 CO 0.02 0.20 0.84 0.35 1.06 0.00 0.00 176.91 179.38 1xhj h PHE 9 N 0.30 0.55 0.73 -0.22 3.04 -1.99 0.40 116.94 119.76 1xhj h PHE 9 Ca 0.34 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.28 1xhj h PHE 9 Cb 0.50 -0.13 0.01 0.00 2.56 0.00 0.00 35.95 38.89 1xhj h PHE 9 CO -0.23 -0.27 -0.35 0.22 -2.02 0.00 0.00 178.31 175.66 1xhj h ASP 10 N 0.04 -0.83 0.29 0.41 3.58 -1.44 -1.65 116.42 116.83 1xhj h ASP 10 Ca 0.85 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 58.32 1xhj h ASP 10 Cb 2.66 0.21 0.00 0.00 1.72 0.00 0.00 39.33 43.93 1xhj h ASP 10 CO -0.48 -0.58 -0.14 -0.61 -2.88 0.00 0.00 179.24 174.55 1xhj h GLN 11 N -1.01 -0.37 0.13 0.28 4.15 -1.09 0.05 115.11 117.25 1xhj h GLN 11 Ca -0.10 0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.36 1xhj h GLN 11 Cb 0.75 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.48 1xhj h GLN 11 CO 0.16 -0.25 -0.52 -0.39 -1.93 0.00 0.00 178.83 175.91 1xhj h VAL 12 N -0.39 0.00 -0.96 2.39 -1.51 -1.24 0.48 116.25 115.02 1xhj h VAL 12 Ca -0.04 0.00 0.18 0.00 -1.23 0.00 0.00 66.70 65.61 1xhj h VAL 12 Cb 0.30 0.00 -0.09 0.00 -2.13 0.00 0.00 31.29 29.38 1xhj h VAL 12 CO 0.07 0.00 0.61 0.00 -1.23 0.00 0.00 177.57 177.01 1xhj h ALA 13 N -0.58 1.86 0.88 5.19 0.00 -1.28 -1.16 119.26 124.17 1xhj h ALA 13 Ca -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1xhj h ALA 13 Cb 0.74 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1xhj h ALA 13 CO -0.27 -0.17 -0.42 1.49 0.00 0.00 0.00 179.25 179.87 1xhj h GLU 14 N 0.66 -1.14 -0.72 0.00 4.22 0.12 -2.55 114.58 115.17 1xhj h GLU 14 Ca 0.52 0.08 0.08 0.00 0.08 0.00 0.00 59.36 60.11 1xhj h GLU 14 Cb 0.92 0.26 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 1xhj h GLU 14 CO -0.28 -0.76 0.39 -0.39 -2.18 0.00 0.00 179.01 175.79 1xhj h VAL 15 N -1.27 0.91 -0.40 0.32 -1.51 0.34 -1.97 116.25 112.67 1xhj h VAL 15 Ca -0.12 -0.23 0.07 0.00 -1.23 0.00 0.00 66.70 65.19 1xhj h VAL 15 Cb 0.91 0.17 -0.06 0.00 -2.13 0.00 0.00 31.29 30.17 1xhj h VAL 15 CO 0.20 0.12 0.01 0.40 -1.23 0.00 0.00 177.57 177.07 1xhj h ILE 16 N 0.68 0.70 -0.61 7.19 1.08 -1.23 0.35 117.51 125.68 1xhj h ILE 16 Ca 0.34 -0.04 0.10 0.00 -0.39 0.00 0.00 64.86 64.87 1xhj h ILE 16 Cb 0.29 0.58 -0.07 0.00 -3.07 0.00 0.00 36.82 34.54 1xhj h ILE 16 CO -0.23 0.02 0.21 -0.08 -0.69 0.00 0.00 178.15 177.38 1xhj h GLU 17 N 0.11 0.37 -0.36 2.37 4.81 -0.93 0.54 114.58 121.49 1xhj h GLU 17 Ca 0.20 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.28 1xhj h GLU 17 Cb 0.28 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1xhj h GLU 17 CO -0.33 0.24 -0.29 -0.09 -0.73 0.00 0.00 179.01 177.82 1xhj h ARG 18 N 0.38 0.76 -0.04 1.92 2.43 -0.79 -3.12 114.38 115.92 1xhj h ARG 18 Ca 0.31 -0.34 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 1xhj h ARG 18 Cb 0.40 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1xhj h ARG 18 CO -0.32 0.95 -0.71 -0.07 -1.51 0.00 0.00 179.97 178.30 1xhj h LEU 19 N 0.65 0.26 -0.50 3.80 4.07 0.72 -3.35 115.31 120.96 1xhj h LEU 19 Ca 0.08 -0.17 0.05 0.00 0.08 0.00 0.00 57.88 57.91 1xhj h LEU 19 Cb 0.81 -0.08 -0.07 0.00 1.08 0.00 0.00 40.66 42.41 1xhj h LEU 19 CO 0.07 0.89 -0.39 0.03 -1.08 0.00 0.00 178.44 177.95 1xhj h ARG 20 N 0.15 -0.12 -1.13 1.13 3.08 0.11 0.37 114.38 117.97 1xhj h ARG 20 Ca -0.02 0.01 0.33 0.00 0.07 0.00 0.00 59.98 60.37 1xhj h ARG 20 Cb 1.27 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 31.23 1xhj h ARG 20 CO 0.11 -0.08 0.72 -1.00 -1.07 0.00 0.00 179.97 178.65 1xhj h PRO 21 N -0.12 0.28 0.22 0.04 0.13 -1.72 1.32 132.00 132.15 1xhj h PRO 21 Ca 0.08 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 1xhj h PRO 21 Cb 0.34 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.41 1xhj h PRO 21 CO -0.53 0.18 -0.11 0.74 -0.23 0.00 0.00 178.00 178.05 1xhj h PHE 22 N 0.28 -0.28 -0.54 1.56 0.04 -1.20 -2.77 116.94 114.04 1xhj h PHE 22 Ca 0.69 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.48 1xhj h PHE 22 Cb 1.88 0.09 -0.04 0.00 2.20 0.00 0.00 35.95 40.08 1xhj h PHE 22 CO -0.00 -0.17 0.32 -0.07 -0.60 0.00 0.00 178.31 177.78 1xhj h LEU 23 N -1.05 0.51 -0.92 1.54 3.38 -0.55 -1.62 115.31 116.60 1xhj h LEU 23 Ca -0.03 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.12 1xhj h LEU 23 Cb 0.23 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 40.78 1xhj h LEU 23 CO 0.05 0.36 0.50 0.25 0.09 0.00 0.00 178.44 179.69 1xhj h LEU 24 N 0.63 0.62 0.36 1.67 5.85 0.77 1.67 115.31 126.87 1xhj h LEU 24 Ca 0.22 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 1xhj h LEU 24 Cb 0.04 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 1xhj h LEU 24 CO -0.10 0.22 -0.22 0.03 -0.34 0.00 0.00 178.44 178.03 1xhj h ARG 25 N 0.66 -0.53 0.00 1.25 3.08 -1.00 -3.38 114.38 114.46 1xhj h ARG 25 Ca 0.52 0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.58 1xhj h ARG 25 Cb 0.79 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 1xhj h ARG 25 CO -0.39 -0.36 -1.05 -0.25 -1.07 0.00 0.00 179.97 176.85 1xhj n ASP 26 N -5.35 1.90 0.00 7.04 8.00 -0.67 -4.92 116.55 122.55 1xhj n ASP 26 Ca -0.10 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1xhj n ASP 26 Cb 0.26 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 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 1.54 1.22 0.00 0.44 0.00 0.47 -4.62 105.19 104.24 1xhj n GLY 27 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 2.38 -0.77 3.79 -0.02 0.00 0.41 -4.29 105.19 106.69 1xhj n GLY 28 Ca 0.00 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 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 4.94 0.18 1.61 1.11 -0.05 0.70 116.67 121.16 1xhj s ASP 29 Ca 0.00 -0.66 0.07 0.00 0.18 0.00 0.00 52.55 52.14 1xhj s ASP 29 Cb 0.00 -0.82 -0.04 0.00 1.07 0.00 0.00 42.92 43.12 1xhj s ASP 29 CO 0.00 -0.33 -0.15 0.00 1.18 0.00 0.00 175.17 175.87 1xhj s THR 31 N -2.64 -0.45 0.08 0.00 2.01 0.66 -4.98 115.64 110.32 1xhj s THR 31 Ca 0.18 0.19 -0.31 0.00 0.31 0.00 0.00 61.69 62.06 1xhj s THR 31 Cb -0.02 -0.58 -0.07 0.00 0.01 0.00 0.00 72.50 71.83 1xhj s THR 31 CO 0.06 0.08 1.42 -0.22 -0.69 0.00 0.00 174.62 175.26 1xhj s LEU 32 N 2.28 4.35 -0.22 4.42 0.20 -1.26 -0.62 118.68 127.82 1xhj s LEU 32 Ca -0.03 2.28 0.00 0.00 0.69 0.00 0.00 54.13 57.08 1xhj s LEU 32 Cb -0.11 -3.58 -0.19 0.00 -0.43 0.00 0.00 46.19 41.88 1xhj s LEU 32 CO -0.11 -0.69 -0.08 0.52 -0.29 0.00 0.00 176.35 175.70 1xhj n VAL 33 N 4.22 1.56 -3.60 1.68 0.31 -0.05 -4.91 118.33 117.54 1xhj n VAL 33 Ca 0.12 -0.60 -0.05 0.00 -0.01 0.00 0.00 64.34 63.81 1xhj n VAL 33 Cb 0.42 -1.48 -0.07 0.00 -0.91 0.00 0.00 33.84 31.81 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 -6.63 -0.62 0.25 4.52 -1.08 -1.08 -4.93 116.67 107.10 1xhj s ASP 34 Ca -0.31 1.14 -0.26 0.00 -0.52 0.00 0.00 52.55 52.60 1xhj s ASP 34 Cb 0.08 1.74 -0.09 0.00 -1.46 0.00 0.00 42.92 43.19 1xhj s ASP 34 CO 0.65 -0.23 0.87 0.54 0.52 0.00 0.00 175.17 177.51 1xhj s VAL 35 N 2.73 4.26 0.00 1.11 0.11 -1.26 -2.38 120.40 124.97 1xhj s VAL 35 Ca -0.01 1.79 0.00 0.00 -2.93 0.00 0.00 61.98 60.83 1xhj s VAL 35 Cb -0.12 -4.11 0.00 0.00 -1.53 0.00 0.00 36.38 30.62 1xhj s VAL 35 CO -0.16 0.34 0.00 -1.84 -3.33 0.00 0.00 175.10 170.11 1xhj n GLU 36 N 1.09 0.00 -0.05 1.54 0.00 -1.26 -4.99 120.64 116.96 1xhj n GLU 36 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.93 1xhj n GLU 36 Cb 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 31.80 1xhj n GLU 36 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1xhj h ASP 37 N 0.00 0.18 0.00 -1.84 3.58 -2.00 -3.45 116.42 112.88 1xhj h ASP 37 Ca 0.00 -0.70 -0.10 0.00 0.42 0.00 0.00 57.03 56.65 1xhj h ASP 37 Cb 0.00 -0.06 -0.12 0.00 1.72 0.00 0.00 39.33 40.87 1xhj h ASP 37 CO 0.00 1.60 -0.31 0.61 -2.88 0.00 0.00 179.24 178.25 1xhj n GLY 38 N 1.64 0.67 2.35 -0.78 0.00 -1.26 -4.97 105.19 102.84 1xhj n GLY 38 Ca -0.30 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 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 0.05 -0.08 -2.65 -0.61 -0.00 -1.23 -0.53 119.36 114.33 1xhj n ILE 39 Ca -0.16 -3.70 -0.42 0.00 -0.00 0.00 0.00 62.75 58.46 1xhj n ILE 39 Cb 0.70 0.24 -0.03 0.00 -0.00 0.00 0.00 39.64 40.55 1xhj n ILE 39 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1xhj s VAL 40 N -1.74 4.70 0.14 1.39 0.11 -1.25 -4.75 120.40 119.00 1xhj s VAL 40 Ca 0.35 1.95 -0.13 0.00 -2.93 0.00 0.00 61.98 61.21 1xhj s VAL 40 Cb 0.34 -4.25 -0.07 0.00 -1.53 0.00 0.00 36.38 30.87 1xhj s VAL 40 CO -0.07 0.09 0.52 -0.54 -3.33 0.00 0.00 175.10 171.77 1xhj s LYS 41 N 1.47 3.93 0.26 1.54 1.02 -1.00 -2.07 119.74 124.88 1xhj s LYS 41 Ca 0.52 0.42 0.03 0.00 0.02 0.00 0.00 55.97 56.96 1xhj s LYS 41 Cb -0.21 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 1xhj s LYS 41 CO 0.24 0.49 0.19 -0.51 -0.92 0.00 0.00 175.35 174.84 1xhj s LEU 42 N -1.98 1.44 -0.11 3.17 1.43 0.13 -0.87 118.68 121.90 1xhj s LEU 42 Ca 0.37 -1.55 -0.05 0.00 -1.03 0.00 0.00 54.13 51.87 1xhj s LEU 42 Cb -0.15 0.44 0.05 0.00 0.03 0.00 0.00 46.19 46.56 1xhj s LEU 42 CO 0.19 -0.93 0.24 -1.10 0.23 0.00 0.00 176.35 174.98 1xhj s GLN 43 N -3.84 0.17 0.80 1.70 -0.21 0.21 -2.25 119.66 116.24 1xhj s GLN 43 Ca 0.40 0.58 -0.07 0.00 0.02 0.00 0.00 55.36 56.29 1xhj s GLN 43 Cb 0.05 -0.11 0.17 0.00 1.00 0.00 0.00 33.01 34.12 1xhj s GLN 43 CO 0.19 -0.20 1.09 1.28 -2.12 0.00 0.00 175.29 175.52 1xhj n LEU 44 N 4.60 0.00 -2.73 2.90 4.77 -1.06 -0.25 117.00 125.24 1xhj n LEU 44 Ca -0.19 -1.73 -0.08 0.00 -0.03 0.00 0.00 56.01 53.98 1xhj n LEU 44 Cb 0.52 -0.77 0.08 0.00 -2.33 0.00 0.00 43.42 40.92 1xhj n LEU 44 CO 0.11 -1.16 0.35 1.41 -1.33 0.00 0.00 177.39 176.77 1xhj n HIS 45 N -3.21 -2.63 0.00 -1.77 8.25 0.16 -4.80 115.22 111.21 1xhj n HIS 45 Ca 0.16 -1.78 0.00 0.00 -0.26 0.00 0.00 57.72 55.84 1xhj n HIS 45 Cb 0.55 1.54 0.00 0.00 1.12 0.00 0.00 29.99 33.20 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 0.86 -1.77 2.58 -1.41 0.00 -1.26 -0.87 105.19 103.31 1xhj n GLY 46 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.99 2.92 -3.32 4.61 0.00 -1.26 -4.27 120.51 116.20 1xhj n ALA 47 Ca 0.00 -1.17 -0.15 0.00 0.00 0.00 0.00 53.44 52.11 1xhj n ALA 47 Cb 0.00 -0.80 0.05 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.46 -2.83 0.03 0.00 0.00 -1.20 -5.03 105.19 94.70 1xhj n GLY 49 Ca -0.07 -1.44 -0.03 0.00 0.00 0.00 0.00 46.02 44.47 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 -4.04 0.30 -3.74 2.61 -2.24 -1.26 -4.92 114.28 100.99 1xhj n THR 50 Ca 0.09 -0.12 -0.29 0.00 -2.27 0.00 0.00 64.05 61.45 1xhj n THR 50 Cb 0.35 -0.72 -0.13 0.00 -2.10 0.00 0.00 70.33 67.74 1xhj n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xhj n PRO 52 N 3.44 0.66 0.00 0.00 -0.02 -1.26 -3.91 135.00 133.90 1xhj n PRO 52 Ca 0.09 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.59 1xhj n PRO 52 Cb 0.34 -1.20 0.09 0.00 -0.02 0.00 0.00 33.50 32.72 1xhj n PRO 52 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1xhj n SER 53 N 0.59 0.00 -0.02 2.55 3.41 -1.26 -0.70 113.62 118.18 1xhj n SER 53 Ca 0.00 0.50 -0.11 0.00 -0.26 0.00 0.00 58.87 59.00 1xhj n SER 53 Cb 0.30 -0.50 -0.14 0.00 -0.26 0.00 0.00 64.21 63.61 1xhj n SER 53 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xhj n SER 54 N -1.50 1.07 -0.30 4.04 7.64 -1.25 -4.16 113.62 119.16 1xhj n SER 54 Ca 0.01 0.36 0.09 0.00 1.01 0.00 0.00 58.87 60.34 1xhj n SER 54 Cb 0.05 -0.16 0.25 0.00 -1.01 0.00 0.00 64.21 63.34 1xhj n SER 54 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1xhj h THR 55 N 0.01 0.62 -0.13 0.44 2.02 -0.85 0.18 112.91 115.21 1xhj h THR 55 Ca -0.32 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 66.71 1xhj h THR 55 Cb 2.03 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 1xhj h THR 55 CO 0.08 0.09 -0.09 0.40 0.37 0.00 0.00 175.52 176.37 1xhj h ILE 56 N 0.52 0.73 0.37 3.11 1.08 -1.72 0.61 117.51 122.20 1xhj h ILE 56 Ca 0.50 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.95 1xhj h ILE 56 Cb 0.81 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 1xhj h ILE 56 CO -0.43 0.00 -0.18 0.74 -0.69 0.00 0.00 178.15 177.59 1xhj h THR 57 N -0.09 0.62 0.12 -0.27 2.02 -1.30 -2.06 112.91 111.95 1xhj h THR 57 Ca 0.08 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.82 1xhj h THR 57 Cb 0.21 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1xhj h THR 57 CO -0.19 0.08 -0.18 0.25 0.37 0.00 0.00 175.52 175.85 1xhj h LEU 58 N -0.76 -0.50 -0.68 2.58 6.46 -0.64 -2.17 115.31 119.60 1xhj h LEU 58 Ca -0.05 0.06 0.14 0.00 -0.12 0.00 0.00 57.88 57.91 1xhj h LEU 58 Cb 0.51 0.19 -0.11 0.00 -0.73 0.00 0.00 40.66 40.52 1xhj h LEU 58 CO 0.08 -0.26 0.07 0.11 -0.62 0.00 0.00 178.44 177.81 1xhj h LYS 59 N -0.36 0.17 -0.45 1.25 1.57 0.19 0.26 116.57 119.19 1xhj h LYS 59 Ca 0.02 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1xhj h LYS 59 Cb 0.37 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1xhj h LYS 59 CO -0.09 0.11 0.30 0.00 -0.57 0.00 0.00 179.45 179.20 1xhj h ALA 60 N 1.60 1.88 -0.38 3.86 0.00 -0.89 -0.24 119.26 125.09 1xhj h ALA 60 Ca 0.37 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1xhj h ALA 60 Cb 0.61 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1xhj h ALA 60 CO -0.54 0.06 0.13 0.78 0.00 0.00 0.00 179.25 179.69 1xhj h GLY 61 N 0.43 0.62 0.73 0.00 0.00 0.12 -0.63 103.07 104.33 1xhj h GLY 61 Ca 0.19 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1xhj h GLY 61 CO -0.05 0.33 -0.35 -2.22 0.00 0.00 0.00 176.54 174.25 1xhj h ILE 62 N 0.46 0.00 -0.78 2.60 2.04 -0.85 -2.31 117.51 118.67 1xhj h ILE 62 Ca 0.12 -0.22 0.15 0.00 1.00 0.00 0.00 64.86 65.91 1xhj h ILE 62 Cb 0.22 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.16 1xhj h ILE 62 CO -0.01 0.00 -0.26 -0.08 0.00 0.00 0.00 178.15 177.80 1xhj h GLU 63 N -1.20 -0.04 -0.26 2.37 4.81 -1.09 0.19 114.58 119.36 1xhj h GLU 63 Ca -0.10 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1xhj h GLU 63 Cb 0.75 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.08 1xhj h GLU 63 CO 0.16 -0.03 -0.12 -0.09 -0.73 0.00 0.00 179.01 178.21 1xhj h ARG 64 N -0.04 -0.08 -0.18 1.92 2.43 -1.10 0.20 114.38 117.53 1xhj h ARG 64 Ca 0.34 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.54 1xhj h ARG 64 Cb 0.58 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1xhj h ARG 64 CO -0.82 -0.05 0.06 0.00 -1.51 0.00 0.00 179.97 177.65 1xhj h ALA 65 N 1.14 0.20 0.36 2.80 0.00 -0.23 -1.30 119.26 122.23 1xhj h ALA 65 Ca 0.14 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xhj h ALA 65 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1xhj h ALA 65 CO -0.32 -0.37 -0.24 -0.07 0.00 0.00 0.00 179.25 178.26 1xhj h LEU 66 N 0.15 -0.60 -0.74 0.00 4.07 -0.20 -0.68 115.31 117.32 1xhj h LEU 66 Ca 0.08 0.04 0.12 0.00 0.08 0.00 0.00 57.88 58.19 1xhj h LEU 66 Cb 0.05 0.18 -0.08 0.00 1.08 0.00 0.00 40.66 41.88 1xhj h LEU 66 CO -0.08 -0.37 0.34 0.45 -1.08 0.00 0.00 178.44 177.69 1xhj h HIS 67 N -0.58 0.59 -0.34 1.13 3.86 -0.51 1.73 115.15 121.03 1xhj h HIS 67 Ca -0.04 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1xhj h HIS 67 Cb 0.49 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1xhj h HIS 67 CO -0.10 0.15 0.08 1.49 0.86 0.00 0.00 177.93 180.41 1xhj h GLU 68 N 0.53 0.54 -0.00 2.45 4.57 -0.99 0.35 114.58 122.03 1xhj h GLU 68 Ca 0.39 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 1xhj h GLU 68 Cb 0.50 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1xhj h GLU 68 CO -0.33 0.60 -0.17 0.39 -1.18 0.00 0.00 179.01 178.31 1xhj n GLU 69 N -4.63 0.05 -2.91 1.92 -0.58 -0.28 -4.37 120.64 109.84 1xhj n GLU 69 Ca -0.02 -0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.58 1xhj n GLU 69 Cb 0.19 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1xhj n GLU 69 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1xhj n VAL 70 N -1.46 -0.27 -0.08 2.62 0.31 0.58 -5.01 118.33 115.02 1xhj n VAL 70 Ca 0.07 -2.20 0.00 0.00 -0.01 0.00 0.00 64.34 62.20 1xhj n VAL 70 Cb 0.33 0.30 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 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 1.90 0.85 -0.02 5.55 -0.02 0.12 -3.56 135.00 139.82 1xhj n PRO 71 Ca 0.15 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.71 1xhj n PRO 71 Cb 0.58 -1.08 -0.15 0.00 -0.02 0.00 0.00 33.50 32.84 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 1.31 -0.87 3.70 -1.23 0.00 -1.26 -4.99 105.19 101.85 1xhj n GLY 72 Ca 0.00 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.21 2.51 -0.04 1.61 -7.23 -1.23 -4.99 120.40 107.82 1xhj s VAL 73 Ca -0.07 0.17 -0.00 0.00 -1.81 0.00 0.00 61.98 60.26 1xhj s VAL 73 Cb 0.11 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 1xhj s VAL 73 CO 0.78 -0.22 -0.04 -0.38 -0.31 0.00 0.00 175.10 174.94 1xhj n ILE 74 N -4.02 0.22 -3.50 -0.62 5.41 -1.24 -5.10 119.36 110.52 1xhj n ILE 74 Ca 0.10 -0.08 -0.11 0.00 1.00 0.00 0.00 62.75 63.66 1xhj n ILE 74 Cb 0.53 -0.79 -0.03 0.00 -0.71 0.00 0.00 39.64 38.64 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 -2.07 0.94 0.06 0.38 0.41 0.32 -5.03 118.70 113.70 1xhj s GLU 75 Ca -0.05 -0.20 -0.13 0.00 -0.41 0.00 0.00 54.97 54.18 1xhj s GLU 75 Cb 0.01 0.44 0.02 0.00 -1.78 0.00 0.00 34.13 32.82 1xhj s GLU 75 CO 0.08 -0.38 0.30 0.08 -0.49 0.00 0.00 175.26 174.85 1xhj s VAL 76 N -2.70 0.09 -0.43 2.63 1.01 -1.26 -3.47 120.40 116.28 1xhj s VAL 76 Ca 0.01 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1xhj s VAL 76 Cb -0.01 -1.02 0.19 0.00 0.00 0.00 0.00 36.38 35.54 1xhj s VAL 76 CO -0.06 -0.41 0.45 -0.62 0.00 0.00 0.00 175.10 174.46 1xhj n GLU 77 N 0.40 0.34 -3.40 2.72 1.02 -0.88 -4.97 120.64 115.86 1xhj n GLU 77 Ca -0.18 -2.95 -0.45 0.00 -0.02 0.00 0.00 57.16 53.57 1xhj n GLU 77 Cb 0.60 -1.56 -0.05 0.00 -0.02 0.00 0.00 31.44 30.41 1xhj n GLU 77 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1xhj s GLN 78 N 0.02 3.03 0.29 3.49 -0.44 -1.26 0.23 119.66 125.02 1xhj s GLN 78 Ca 0.33 -2.00 0.09 0.00 -2.50 0.00 0.00 55.36 51.27 1xhj s GLN 78 Cb 0.06 -4.22 -0.04 0.00 -1.64 0.00 0.00 33.01 27.17 1xhj s GLN 78 CO -0.17 -1.28 0.08 0.14 0.50 0.00 0.00 175.29 174.57 1xhj s VAL 79 N 1.01 3.51 -0.05 1.34 -7.23 -0.95 -4.88 120.40 113.13 1xhj s VAL 79 Ca 0.09 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 1xhj s VAL 79 Cb -0.23 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.72 1xhj s VAL 79 CO -0.02 -0.31 0.00 0.33 -0.31 0.00 0.00 175.10 174.79 1xhj n PHE 80 N -1.03 0.00 -2.45 2.82 7.35 -1.26 -2.55 117.46 120.34 1xhj n PHE 80 Ca -0.06 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.33 1xhj n PHE 80 Cb 0.59 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.43 1xhj n PHE 80 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 1xhj n LEU 81 N 0.00 5.49 0.00 -2.13 -0.00 -1.26 -4.95 117.00 114.14 1xhj n LEU 81 Ca 0.00 -5.23 0.00 0.00 -0.00 0.00 0.00 56.01 50.78 1xhj n LEU 81 Cb 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 43.42 42.76 1xhj n LEU 81 CO 0.00 2.14 0.00 -1.84 -0.00 0.00 0.00 177.39 177.69 1xhj n GLU 82 N -0.42 0.00 0.00 1.47 -0.00 -1.26 -3.20 120.64 117.22 1xhj n GLU 82 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.57 1xhj n GLU 82 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.93 1xhj n GLU 82 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1xhj n HIS 83 N 0.00 0.00 -2.07 -1.84 8.25 -1.26 -3.10 115.22 115.20 1xhj n HIS 83 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1xhj n HIS 83 Cb 0.00 0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.43 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 -2.38 0.00 0.00 4.41 -0.00 -1.26 -4.44 115.22 111.55 1xhj n HIS 84 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1xhj n HIS 84 Cb 0.08 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.95 1xhj n HIS 84 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1xhj n HIS 85 N 0.00 0.00 -3.43 1.57 -0.00 -1.26 -4.40 115.22 107.70 1xhj n HIS 85 Ca 0.00 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.18 1xhj n HIS 85 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1xhj n HIS 85 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1xhj n HIS 86 N 0.00 -0.64 1.06 1.57 8.25 -1.26 -4.98 115.22 119.22 1xhj n HIS 86 Ca 0.00 -0.07 0.02 0.00 -0.26 0.00 0.00 57.72 57.42 1xhj n HIS 86 Cb 0.00 0.03 0.09 0.00 1.12 0.00 0.00 29.99 31.23 1xhj n HIS 86 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1xhj n HIS 87 N -0.04 0.36 -0.83 4.41 -0.00 -1.26 -5.02 115.22 112.84 1xhj n HIS 87 Ca -0.00 -0.15 0.00 0.00 0.46 0.00 0.00 57.72 58.03 1xhj n HIS 87 Cb 0.03 -0.08 0.00 0.00 -0.12 0.00 0.00 29.99 29.82 1xhj n HIS 87 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38