#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 -3.57 2.12 -0.05 -1.26 -5.07 135.00 127.16 1xhj n PRO 2 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 63.50 63.39 1xhj n PRO 2 Cb 0.00 -0.57 -0.02 0.00 -0.05 0.00 0.00 33.50 32.86 1xhj n PRO 2 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 175.50 176.44 1xhj s THR 3 N -0.22 0.00 -0.04 0.52 2.01 -1.26 -5.01 115.64 111.64 1xhj s THR 3 Ca 0.00 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.00 1xhj s THR 3 Cb 0.00 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.54 1xhj s THR 3 CO 0.00 0.00 1.78 -0.62 -0.69 0.00 0.00 174.62 175.09 1xhj n GLU 4 N -0.03 1.11 -0.50 4.92 4.71 -1.26 -4.90 120.64 124.69 1xhj n GLU 4 Ca -0.03 -0.22 -0.26 0.00 -0.01 0.00 0.00 57.16 56.65 1xhj n GLU 4 Cb 0.59 -1.09 0.20 0.00 -1.01 0.00 0.00 31.44 30.13 1xhj n GLU 4 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1xhj n ASN 5 N 1.11 -2.96 -4.46 1.62 5.03 -1.26 -4.37 115.26 109.97 1xhj n ASN 5 Ca 0.04 -0.40 -0.24 0.00 0.87 0.00 0.00 54.58 54.85 1xhj n ASN 5 Cb 0.53 -0.92 -0.22 0.00 -1.02 0.00 0.00 39.78 38.15 1xhj n ASN 5 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1xhj n PRO 6 N -3.08 0.00 -0.42 3.52 -0.01 -1.26 -4.83 135.00 128.92 1xhj n PRO 6 Ca 0.06 0.00 -0.16 0.00 -0.01 0.00 0.00 63.50 63.38 1xhj n PRO 6 Cb 0.51 -1.04 0.14 0.00 -0.01 0.00 0.00 33.50 33.10 1xhj n PRO 6 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 175.50 175.74 1xhj n THR 7 N 5.66 0.00 -0.07 3.45 -2.24 -1.26 -4.66 114.28 115.15 1xhj n THR 7 Ca 0.67 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 62.19 1xhj n THR 7 Cb 0.13 -0.94 -0.02 0.00 -2.10 0.00 0.00 70.33 67.40 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 -0.25 -1.00 -0.78 2.86 -1.99 -1.73 114.93 112.04 1xhj h MET 8 Ca -0.22 0.02 0.18 0.00 -2.06 0.00 0.00 59.70 57.62 1xhj h MET 8 Cb 0.69 0.06 -0.18 0.00 0.06 0.00 0.00 31.60 32.23 1xhj h MET 8 CO 0.14 -0.17 -0.31 0.34 1.06 0.00 0.00 176.91 177.97 1xhj n PHE 9 N -5.40 0.21 0.02 -0.22 -0.00 -1.26 0.20 117.46 111.01 1xhj n PHE 9 Ca -0.00 1.22 -0.10 0.00 -0.00 0.00 0.00 57.45 58.57 1xhj n PHE 9 Cb 0.31 -0.98 -0.04 0.00 -0.00 0.00 0.00 39.48 38.77 1xhj n PHE 9 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1xhj h ASP 10 N 0.00 -0.30 0.95 -2.13 3.58 -1.63 0.32 116.42 117.22 1xhj h ASP 10 Ca 0.42 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.88 1xhj h ASP 10 Cb 0.67 0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.87 1xhj h ASP 10 CO -1.01 -0.14 -0.46 1.56 -2.88 0.00 0.00 179.24 176.32 1xhj h GLN 11 N -0.13 -1.23 0.03 0.28 4.20 -0.01 0.39 115.11 118.64 1xhj h GLN 11 Ca 0.06 0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.88 1xhj h GLN 11 Cb 0.22 0.28 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 1xhj h GLN 11 CO -0.16 -0.82 -0.26 -0.39 -0.67 0.00 0.00 178.83 176.53 1xhj h VAL 12 N -1.34 0.42 -0.76 -0.54 -1.51 -0.22 0.56 116.25 112.85 1xhj h VAL 12 Ca -0.13 0.00 0.13 0.00 -1.23 0.00 0.00 66.70 65.47 1xhj h VAL 12 Cb 0.98 0.42 -0.09 0.00 -2.13 0.00 0.00 31.29 30.47 1xhj h VAL 12 CO 0.21 0.00 0.34 0.00 -1.23 0.00 0.00 177.57 176.89 1xhj h ALA 13 N 0.38 1.09 0.77 5.19 0.00 -0.36 0.74 119.26 127.06 1xhj h ALA 13 Ca 0.05 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1xhj h ALA 13 Cb 0.49 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1xhj h ALA 13 CO -0.20 -0.15 -0.37 1.49 0.00 0.00 0.00 179.25 180.01 1xhj h GLU 14 N 0.51 -1.00 -0.96 0.00 4.81 0.13 -2.00 114.58 116.08 1xhj h GLU 14 Ca 0.41 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 1xhj h GLU 14 Cb 0.58 0.23 -0.05 0.00 0.63 0.00 0.00 28.75 30.14 1xhj h GLU 14 CO -0.37 -0.66 0.60 -0.39 -0.73 0.00 0.00 179.01 177.46 1xhj h VAL 15 N -1.10 1.26 0.27 0.32 -1.51 0.37 -2.33 116.25 113.53 1xhj h VAL 15 Ca -0.11 -0.52 -0.01 0.00 -1.23 0.00 0.00 66.70 64.84 1xhj h VAL 15 Cb 0.79 -0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 29.82 1xhj h VAL 15 CO 0.17 0.26 -0.29 0.40 -1.23 0.00 0.00 177.57 176.89 1xhj h ILE 16 N 1.31 0.00 -0.75 7.19 2.04 0.49 0.86 117.51 128.65 1xhj h ILE 16 Ca 0.35 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.42 1xhj h ILE 16 Cb -0.10 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 35.95 1xhj h ILE 16 CO -0.07 0.00 0.54 1.05 0.00 0.00 0.00 178.15 179.67 1xhj h GLU 17 N -0.56 0.05 0.09 2.37 -0.00 -1.33 0.70 114.58 115.90 1xhj h GLU 17 Ca -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.32 1xhj h GLU 17 Cb 0.49 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.23 1xhj h GLU 17 CO -0.04 0.03 -0.04 -0.09 -0.00 0.00 0.00 179.01 178.87 1xhj h ARG 18 N 0.05 -0.11 0.00 1.06 2.43 -0.78 -3.19 114.38 113.84 1xhj h ARG 18 Ca 0.36 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.50 1xhj h ARG 18 Cb 1.37 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.94 1xhj h ARG 18 CO -0.02 0.27 -0.20 -0.07 -1.51 0.00 0.00 179.97 178.43 1xhj h LEU 19 N -0.52 0.00 -0.79 3.80 -0.00 0.46 -3.36 115.31 114.90 1xhj h LEU 19 Ca -0.01 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.94 1xhj h LEU 19 Cb 0.43 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.00 1xhj h LEU 19 CO 0.02 0.20 -0.47 0.54 -0.00 0.00 0.00 178.44 178.74 1xhj n ARG 20 N -3.22 -0.35 -0.34 1.13 1.74 0.23 0.46 116.66 116.31 1xhj n ARG 20 Ca 0.02 1.25 0.23 0.00 -0.77 0.00 0.00 57.85 58.58 1xhj n ARG 20 Cb 0.53 -1.83 0.47 0.00 -1.02 0.00 0.00 32.46 30.61 1xhj n ARG 20 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1xhj h PRO 21 N 0.00 0.36 -0.03 5.56 0.13 -1.75 0.23 132.00 136.51 1xhj h PRO 21 Ca 0.13 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 65.07 1xhj h PRO 21 Cb 0.33 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 31.38 1xhj h PRO 21 CO -0.75 0.24 -0.61 0.74 -0.23 0.00 0.00 178.00 177.40 1xhj h PHE 22 N 0.37 0.67 -0.15 1.56 0.04 -0.25 -3.04 116.94 116.15 1xhj h PHE 22 Ca 0.71 -0.34 0.01 0.00 2.80 0.00 0.00 57.97 61.14 1xhj h PHE 22 Cb 1.63 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.68 1xhj h PHE 22 CO -0.01 1.15 0.08 -0.07 -0.60 0.00 0.00 178.31 178.86 1xhj h LEU 23 N 0.00 0.12 -0.76 1.54 3.38 0.12 -2.51 115.31 117.19 1xhj h LEU 23 Ca -0.07 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.03 1xhj h LEU 23 Cb 1.30 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.94 1xhj h LEU 23 CO 0.12 0.09 0.36 0.25 0.09 0.00 0.00 178.44 179.36 1xhj h LEU 24 N 0.17 0.43 -0.28 1.67 5.85 0.42 1.85 115.31 125.42 1xhj h LEU 24 Ca 0.06 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1xhj h LEU 24 Cb 0.00 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1xhj h LEU 24 CO -0.04 0.21 0.11 0.03 -0.34 0.00 0.00 178.44 178.41 1xhj h ARG 25 N 0.57 0.23 0.00 1.25 2.47 -1.33 -3.37 114.38 114.19 1xhj h ARG 25 Ca 0.40 -0.01 -0.11 0.00 -1.26 0.00 0.00 59.98 59.00 1xhj h ARG 25 Cb 0.52 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.77 1xhj h ARG 25 CO -0.33 0.16 -1.29 -0.25 0.56 0.00 0.00 179.97 178.81 1xhj n ASP 26 N -5.01 1.85 0.00 7.04 9.92 -0.79 -4.95 116.55 124.61 1xhj n ASP 26 Ca -0.01 0.31 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 1xhj n ASP 26 Cb 0.09 -0.72 0.00 0.00 -0.64 0.00 0.00 41.12 39.85 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 1.58 0.19 0.00 0.44 0.00 0.54 -5.08 105.19 102.86 1xhj n GLY 27 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 2.22 -0.81 2.99 -0.02 0.00 0.36 -4.46 105.19 105.48 1xhj n GLY 28 Ca 0.00 0.03 -0.23 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 -4.00 1.46 0.26 1.61 1.01 0.28 0.13 116.67 117.42 1xhj s ASP 29 Ca 0.00 -0.23 -0.01 0.00 0.71 0.00 0.00 52.55 53.01 1xhj s ASP 29 Cb 0.00 -0.63 -0.04 0.00 1.01 0.00 0.00 42.92 43.26 1xhj s ASP 29 CO 0.00 0.02 0.47 0.00 0.21 0.00 0.00 175.17 175.87 1xhj s THR 31 N -2.03 -0.55 0.04 0.00 2.01 0.01 -4.95 115.64 110.18 1xhj s THR 31 Ca 0.40 0.04 -0.31 0.00 0.31 0.00 0.00 61.69 62.13 1xhj s THR 31 Cb -0.10 -0.70 -0.07 0.00 0.01 0.00 0.00 72.50 71.64 1xhj s THR 31 CO 0.31 -0.05 1.42 -0.22 -0.69 0.00 0.00 174.62 175.39 1xhj s LEU 32 N 2.51 4.34 -0.25 4.42 2.96 -1.26 0.12 118.68 131.52 1xhj s LEU 32 Ca 0.07 2.22 0.03 0.00 -0.22 0.00 0.00 54.13 56.23 1xhj s LEU 32 Cb -0.14 -3.57 -0.18 0.00 0.50 0.00 0.00 46.19 42.80 1xhj s LEU 32 CO -0.13 -0.71 -0.20 0.52 -1.32 0.00 0.00 176.35 174.50 1xhj n VAL 33 N 4.43 1.48 -3.65 1.68 0.31 0.12 -4.93 118.33 117.77 1xhj n VAL 33 Ca 0.13 -0.60 -0.10 0.00 -0.01 0.00 0.00 64.34 63.76 1xhj n VAL 33 Cb 0.43 -1.33 -0.08 0.00 -0.91 0.00 0.00 33.84 31.95 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 -6.43 -0.77 -0.28 4.52 -1.08 -0.34 -4.99 116.67 107.29 1xhj s ASP 34 Ca -0.33 1.33 -0.09 0.00 -0.52 0.00 0.00 52.55 52.95 1xhj s ASP 34 Cb 0.09 1.26 -0.02 0.00 -1.46 0.00 0.00 42.92 42.78 1xhj s ASP 34 CO 0.62 -0.23 0.13 0.54 0.52 0.00 0.00 175.17 176.76 1xhj s VAL 35 N 1.11 4.65 0.48 1.11 0.11 -1.26 -1.52 120.40 125.08 1xhj s VAL 35 Ca -0.06 -0.22 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1xhj s VAL 35 Cb -0.05 -3.27 -0.00 0.00 -1.53 0.00 0.00 36.38 31.52 1xhj s VAL 35 CO -0.11 0.20 0.00 -0.62 -3.33 0.00 0.00 175.10 171.24 1xhj n GLU 36 N 4.98 0.82 0.11 1.54 -0.58 -1.26 -4.99 120.64 121.25 1xhj n GLU 36 Ca -0.15 -3.54 0.11 0.00 -0.42 0.00 0.00 57.16 53.17 1xhj n GLU 36 Cb 0.50 0.97 0.46 0.00 -0.57 0.00 0.00 31.44 32.81 1xhj n GLU 36 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1xhj n ASP 37 N -1.30 0.57 0.00 1.62 9.92 -1.26 -4.55 116.55 121.54 1xhj n ASP 37 Ca -0.20 0.64 0.00 0.00 -0.53 0.00 0.00 54.79 54.70 1xhj n ASP 37 Cb 0.61 -0.76 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 1xhj n ASP 37 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xhj n GLY 38 N 0.01 0.03 2.39 0.44 0.00 -1.26 -4.88 105.19 101.92 1xhj n GLY 38 Ca 0.02 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.34 4.75 -1.20 -0.61 -0.00 -1.25 -3.52 119.36 117.19 1xhj n ILE 39 Ca 0.00 -3.38 -0.30 0.00 -0.00 0.00 0.00 62.75 59.07 1xhj n ILE 39 Cb 0.00 -2.37 0.13 0.00 -0.00 0.00 0.00 39.64 37.40 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 0.64 2.81 -0.18 1.39 1.01 -1.21 -4.40 120.40 120.45 1xhj s VAL 40 Ca 0.63 0.26 -0.07 0.00 0.00 0.00 0.00 61.98 62.80 1xhj s VAL 40 Cb 0.18 -2.73 0.08 0.00 0.00 0.00 0.00 36.38 33.91 1xhj s VAL 40 CO -0.08 -0.34 0.39 -0.54 0.00 0.00 0.00 175.10 174.53 1xhj s LYS 41 N -4.92 0.30 0.42 2.72 1.02 -0.58 -2.11 119.74 116.59 1xhj s LYS 41 Ca 0.63 0.96 0.04 0.00 0.02 0.00 0.00 55.97 57.62 1xhj s LYS 41 Cb -0.18 0.23 -0.01 0.00 -0.52 0.00 0.00 37.83 37.35 1xhj s LYS 41 CO 0.57 -0.25 0.14 1.47 -0.92 0.00 0.00 175.35 176.36 1xhj n LEU 42 N 5.26 0.00 -3.63 3.17 -0.00 -0.80 0.11 117.00 121.10 1xhj n LEU 42 Ca -0.10 -3.17 -0.17 0.00 -0.00 0.00 0.00 56.01 52.57 1xhj n LEU 42 Cb 0.50 0.99 -0.15 0.00 -0.00 0.00 0.00 43.42 44.76 1xhj n LEU 42 CO 0.01 -0.49 -0.22 -1.58 -0.00 0.00 0.00 177.39 175.12 1xhj s GLN 43 N -3.60 0.08 0.17 1.47 0.74 0.12 -2.33 119.66 116.30 1xhj s GLN 43 Ca 0.19 0.50 -0.10 0.00 0.05 0.00 0.00 55.36 56.01 1xhj s GLN 43 Cb 0.01 -0.46 -0.07 0.00 1.10 0.00 0.00 33.01 33.59 1xhj s GLN 43 CO 0.14 -0.38 0.49 -1.17 -0.55 0.00 0.00 175.29 173.82 1xhj s LEU 44 N 2.31 4.25 -0.30 3.68 2.96 -0.72 -0.81 118.68 130.06 1xhj s LEU 44 Ca 0.03 0.87 -0.12 0.00 -0.22 0.00 0.00 54.13 54.70 1xhj s LEU 44 Cb -0.13 -3.40 0.14 0.00 0.50 0.00 0.00 46.19 43.30 1xhj s LEU 44 CO -0.07 0.03 0.80 -1.38 -1.32 0.00 0.00 176.35 174.40 1xhj s HIS 45 N -1.64 -1.06 -0.09 5.38 -3.43 0.59 -0.47 115.29 114.57 1xhj s HIS 45 Ca 0.42 1.84 0.15 0.00 -0.80 0.00 0.00 55.06 56.66 1xhj s HIS 45 Cb -0.13 0.64 -0.22 0.00 -1.43 0.00 0.00 32.58 31.44 1xhj s HIS 45 CO 0.21 -0.53 0.19 0.41 -2.00 0.00 0.00 174.74 173.02 1xhj n GLY 46 N 5.24 -0.74 0.00 -1.38 0.00 -1.26 0.10 105.19 107.15 1xhj n GLY 46 Ca -0.11 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.34 0.00 -3.10 4.61 0.00 -1.25 -4.86 120.51 113.56 1xhj n ALA 47 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.34 1xhj n ALA 47 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 4.92 4.92 0.88 0.00 0.00 -1.26 -4.58 105.19 110.08 1xhj n GLY 49 Ca 0.09 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 0.00 0.00 -3.48 2.61 -2.24 -1.26 -4.67 114.28 105.24 1xhj n THR 50 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 1xhj n THR 50 Cb 0.00 -0.22 -0.10 0.00 -2.10 0.00 0.00 70.33 67.91 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 -0.30 4.12 0.08 0.00 0.02 -1.26 -4.89 135.00 132.76 1xhj s PRO 52 Ca 0.32 1.57 0.19 0.00 0.02 0.00 0.00 61.00 63.09 1xhj s PRO 52 Cb 0.03 -3.82 -0.12 0.00 0.02 0.00 0.00 34.50 30.61 1xhj s PRO 52 CO -0.19 -0.86 0.83 0.45 -0.33 0.00 0.00 177.00 176.90 1xhj n SER 53 N 7.02 0.78 0.05 2.53 2.88 -1.26 -3.90 113.62 121.72 1xhj n SER 53 Ca 0.15 0.33 -0.22 0.00 -1.33 0.00 0.00 58.87 57.79 1xhj n SER 53 Cb 0.45 0.36 -0.15 0.00 -0.75 0.00 0.00 64.21 64.13 1xhj n SER 53 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1xhj h SER 54 N 0.00 0.54 -0.70 -3.46 4.64 -1.90 -3.33 113.55 109.33 1xhj h SER 54 Ca -0.13 -0.91 0.08 0.00 -0.47 0.00 0.00 61.79 60.37 1xhj h SER 54 Cb 1.43 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 63.30 1xhj h SER 54 CO 0.03 1.67 0.46 0.74 -0.87 0.00 0.00 176.83 178.87 1xhj h THR 55 N -0.11 0.97 -0.28 2.95 2.02 -1.84 -0.69 112.91 115.93 1xhj h THR 55 Ca -0.30 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 66.67 1xhj h THR 55 Cb 1.92 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 1xhj h THR 55 CO 0.14 0.12 0.16 0.40 0.37 0.00 0.00 175.52 176.71 1xhj h ILE 56 N 0.65 1.02 0.03 3.11 2.04 -1.68 0.76 117.51 123.45 1xhj h ILE 56 Ca 0.32 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 1xhj h ILE 56 Cb 0.39 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1xhj h ILE 56 CO -0.11 0.06 -0.02 0.74 0.00 0.00 0.00 178.15 178.83 1xhj h THR 57 N 0.33 1.11 -0.47 -0.27 2.02 -1.37 -2.79 112.91 111.47 1xhj h THR 57 Ca 0.11 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 66.86 1xhj h THR 57 Cb 0.01 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1xhj h THR 57 CO -0.06 0.12 0.28 0.25 0.37 0.00 0.00 175.52 176.47 1xhj h LEU 58 N -0.24 0.44 -0.42 2.58 5.85 -0.96 -1.71 115.31 120.85 1xhj h LEU 58 Ca -0.00 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1xhj h LEU 58 Cb 0.22 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.08 1xhj h LEU 58 CO 0.01 0.31 -0.51 0.50 -0.34 0.00 0.00 178.44 178.41 1xhj h LYS 59 N 0.55 -0.35 0.00 1.25 3.64 0.67 0.58 116.57 122.91 1xhj h LYS 59 Ca 0.19 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1xhj h LYS 59 Cb 0.03 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1xhj h LYS 59 CO -0.09 -0.23 -0.05 0.00 -2.27 0.00 0.00 179.45 176.80 1xhj h ALA 60 N 0.16 1.63 0.49 5.00 0.00 -1.30 -1.95 119.26 123.29 1xhj h ALA 60 Ca 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xhj h ALA 60 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xhj h ALA 60 CO -0.60 0.06 -0.24 0.78 0.00 0.00 0.00 179.25 179.26 1xhj h GLY 61 N 0.23 -0.69 0.97 0.00 0.00 0.98 -1.98 103.07 102.59 1xhj h GLY 61 Ca -0.00 0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 1xhj h GLY 61 CO 0.01 -0.25 -0.17 0.16 0.00 0.00 0.00 176.54 176.28 1xhj h ILE 62 N -0.93 0.65 -0.68 2.60 3.07 -0.67 -1.73 117.51 119.82 1xhj h ILE 62 Ca -0.07 -0.06 0.10 0.00 1.55 0.00 0.00 64.86 66.38 1xhj h ILE 62 Cb 0.60 0.69 -0.12 0.00 -0.27 0.00 0.00 36.82 37.72 1xhj h ILE 62 CO 0.11 0.01 -0.43 -0.33 -1.05 0.00 0.00 178.15 176.46 1xhj h GLU 63 N -0.51 -0.16 -0.42 0.16 3.07 -1.43 0.40 114.58 115.68 1xhj h GLU 63 Ca -0.05 0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.89 1xhj h GLU 63 Cb 0.39 0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.28 1xhj h GLU 63 CO 0.08 -0.11 0.09 0.00 -1.40 0.00 0.00 179.01 177.67 1xhj h ARG 64 N -0.17 0.22 -0.47 2.33 2.47 -1.23 -0.36 114.38 117.17 1xhj h ARG 64 Ca 0.21 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.95 1xhj h ARG 64 Cb 0.56 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.79 1xhj h ARG 64 CO -0.75 0.14 0.24 0.00 0.56 0.00 0.00 179.97 180.16 1xhj h ALA 65 N 1.32 0.60 0.43 0.04 0.00 0.09 0.65 119.26 122.39 1xhj h ALA 65 Ca 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1xhj h ALA 65 Cb 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1xhj h ALA 65 CO -0.27 -0.11 -0.32 -0.07 0.00 0.00 0.00 179.25 178.49 1xhj h LEU 66 N 0.47 -0.82 -0.77 0.00 4.07 0.49 0.44 115.31 119.20 1xhj h LEU 66 Ca 0.20 0.06 0.10 0.00 0.08 0.00 0.00 57.88 58.32 1xhj h LEU 66 Cb 0.11 0.26 -0.07 0.00 1.08 0.00 0.00 40.66 42.03 1xhj h LEU 66 CO -0.14 -0.48 0.41 0.45 -1.08 0.00 0.00 178.44 177.60 1xhj h HIS 67 N -0.74 0.73 -0.26 1.13 3.86 -0.85 1.01 115.15 120.03 1xhj h HIS 67 Ca -0.04 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1xhj h HIS 67 Cb 0.63 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1xhj h HIS 67 CO -0.13 0.27 0.01 1.49 0.86 0.00 0.00 177.93 180.42 1xhj h GLU 68 N 0.67 0.46 -0.00 2.45 4.57 -0.51 -0.45 114.58 121.77 1xhj h GLU 68 Ca 0.38 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1xhj h GLU 68 Cb 0.39 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1xhj h GLU 68 CO -0.27 0.62 -0.02 0.39 -1.18 0.00 0.00 179.01 178.55 1xhj n GLU 69 N -4.62 0.88 -2.92 1.92 1.02 0.15 -4.18 120.64 112.89 1xhj n GLU 69 Ca -0.03 -0.14 -0.14 0.00 -0.02 0.00 0.00 57.16 56.83 1xhj n GLU 69 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1xhj n GLU 69 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1xhj n VAL 70 N -0.94 -0.27 -2.39 2.62 0.31 0.34 -5.02 118.33 112.99 1xhj n VAL 70 Ca 0.20 -2.44 -0.42 0.00 -0.01 0.00 0.00 64.34 61.66 1xhj n VAL 70 Cb 0.19 0.19 -0.03 0.00 -0.91 0.00 0.00 33.84 33.29 1xhj n VAL 70 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1xhj s PRO 71 N -0.00 4.33 0.00 5.55 0.02 -0.21 -4.01 135.00 140.68 1xhj s PRO 71 Ca 0.33 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.11 1xhj s PRO 71 Cb 0.21 -3.55 0.00 0.00 0.02 0.00 0.00 34.50 31.17 1xhj s PRO 71 CO -0.20 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 1xhj n GLY 72 N 3.44 0.48 3.63 0.52 0.00 -1.26 -5.11 105.19 106.89 1xhj n GLY 72 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 2.30 0.00 1.61 -7.23 -1.26 -4.95 120.40 110.87 1xhj s VAL 73 Ca 0.00 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 1xhj s VAL 73 Cb 0.00 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.59 1xhj s VAL 73 CO 0.00 -0.13 0.00 -0.38 -0.31 0.00 0.00 175.10 174.28 1xhj n ILE 74 N -4.31 0.00 -3.49 -0.62 5.41 -1.26 -5.08 119.36 110.01 1xhj n ILE 74 Ca 0.06 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.70 1xhj n ILE 74 Cb 0.54 -0.53 -0.03 0.00 -0.71 0.00 0.00 39.64 38.91 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 -1.69 0.99 -0.19 0.38 2.12 -1.23 -5.04 118.70 114.03 1xhj s GLU 75 Ca 0.00 -0.17 -0.08 0.00 0.36 0.00 0.00 54.97 55.07 1xhj s GLU 75 Cb 0.00 0.46 0.08 0.00 0.26 0.00 0.00 34.13 34.92 1xhj s GLU 75 CO 0.00 -0.39 0.43 0.54 -0.54 0.00 0.00 175.26 175.30 1xhj s VAL 76 N -2.62 -0.35 -0.57 3.70 0.11 -1.26 -3.35 120.40 116.05 1xhj s VAL 76 Ca -0.01 0.12 -0.16 0.00 -2.93 0.00 0.00 61.98 59.01 1xhj s VAL 76 Cb -0.01 -0.66 0.14 0.00 -1.53 0.00 0.00 36.38 34.32 1xhj s VAL 76 CO -0.05 0.05 0.54 -1.61 -3.33 0.00 0.00 175.10 170.71 1xhj s GLU 77 N 2.04 3.06 -0.64 1.54 8.01 -0.90 -5.01 118.70 126.80 1xhj s GLU 77 Ca -0.06 -1.76 -0.11 0.00 0.01 0.00 0.00 54.97 53.05 1xhj s GLU 77 Cb -0.10 -4.31 0.16 0.00 -4.31 0.00 0.00 34.13 25.57 1xhj s GLU 77 CO -0.13 -1.34 0.54 -1.14 0.01 0.00 0.00 175.26 173.20 1xhj s GLN 78 N 1.53 3.00 -0.22 1.61 0.74 -1.26 -1.91 119.66 123.14 1xhj s GLN 78 Ca 0.05 -2.13 -0.22 0.00 0.05 0.00 0.00 55.36 53.11 1xhj s GLN 78 Cb -0.28 -4.15 -0.02 0.00 1.10 0.00 0.00 33.01 29.67 1xhj s GLN 78 CO 0.02 -1.25 0.71 0.14 -0.55 0.00 0.00 175.29 174.35 1xhj s VAL 79 N 0.75 4.94 -0.03 1.34 -7.23 -0.98 -4.86 120.40 114.33 1xhj s VAL 79 Ca 0.11 1.33 -0.13 0.00 -1.81 0.00 0.00 61.98 61.48 1xhj s VAL 79 Cb -0.20 -4.01 -0.05 0.00 0.56 0.00 0.00 36.38 32.67 1xhj s VAL 79 CO -0.03 0.02 0.35 0.72 -0.31 0.00 0.00 175.10 175.85 1xhj s PHE 80 N 2.38 3.70 -0.60 2.82 -0.12 -1.26 -1.75 117.98 123.14 1xhj s PHE 80 Ca 0.31 0.89 -0.02 0.00 -0.05 0.00 0.00 56.93 58.06 1xhj s PHE 80 Cb -0.16 -2.21 0.30 0.00 -0.63 0.00 0.00 43.02 40.32 1xhj s PHE 80 CO 0.09 0.66 2.18 -0.11 -0.05 0.00 0.00 175.22 178.00 1xhj n LEU 81 N 1.87 7.16 -1.24 -1.99 7.94 0.38 -4.94 117.00 126.18 1xhj n LEU 81 Ca -0.15 -4.19 0.07 0.00 -1.11 0.00 0.00 56.01 50.63 1xhj n LEU 81 Cb 0.53 -1.07 -0.04 0.00 0.53 0.00 0.00 43.42 43.37 1xhj n LEU 81 CO 0.36 1.55 -0.46 -0.62 -1.11 0.00 0.00 177.39 177.11 1xhj n GLU 82 N -0.19 -3.08 -2.66 1.96 4.71 -1.26 -4.45 120.64 115.66 1xhj n GLU 82 Ca 0.51 2.45 -0.03 0.00 -0.01 0.00 0.00 57.16 60.08 1xhj n GLU 82 Cb 0.51 -3.26 0.05 0.00 -1.01 0.00 0.00 31.44 27.73 1xhj n GLU 82 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 1xhj n HIS 83 N -3.15 -0.21 -0.25 -0.32 -0.00 -1.26 -3.81 115.22 106.22 1xhj n HIS 83 Ca -0.04 -0.56 -0.30 0.00 0.46 0.00 0.00 57.72 57.28 1xhj n HIS 83 Cb 0.48 1.03 0.29 0.00 -0.12 0.00 0.00 29.99 31.67 1xhj n HIS 83 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1xhj n HIS 84 N 2.22 -3.60 -4.16 1.57 1.44 -1.26 -4.64 115.22 106.78 1xhj n HIS 84 Ca 0.07 -0.75 -0.13 0.00 -2.01 0.00 0.00 57.72 54.91 1xhj n HIS 84 Cb 0.68 -1.37 -0.11 0.00 0.12 0.00 0.00 29.99 29.32 1xhj n HIS 84 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1xhj s HIS 85 N -2.13 0.96 0.11 -1.40 2.46 -1.26 -4.93 115.29 109.11 1xhj s HIS 85 Ca 0.66 -0.74 -0.30 0.00 0.47 0.00 0.00 55.06 55.16 1xhj s HIS 85 Cb -0.13 -0.54 -0.09 0.00 -0.13 0.00 0.00 32.58 31.69 1xhj s HIS 85 CO 0.56 -0.06 1.59 1.25 -2.47 0.00 0.00 174.74 175.62 1xhj h HIS 86 N 3.41 -1.10 -2.53 3.88 2.76 -2.05 -3.46 115.15 116.05 1xhj h HIS 86 Ca -0.36 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 57.92 1xhj h HIS 86 Cb 1.18 0.47 -0.12 0.00 1.55 0.00 0.00 27.41 30.49 1xhj h HIS 86 CO 0.62 -0.50 0.40 -1.58 -1.30 0.00 0.00 177.93 175.57 1xhj s HIS 87 N -5.93 -0.34 0.00 5.26 2.46 -1.26 -5.29 115.29 110.18 1xhj s HIS 87 Ca -0.16 0.13 0.00 0.00 0.47 0.00 0.00 55.06 55.50 1xhj s HIS 87 Cb 0.08 0.58 0.00 0.00 -0.13 0.00 0.00 32.58 33.10 1xhj s HIS 87 CO 0.64 -0.73 0.00 1.58 -2.47 0.00 0.00 174.74 173.76