#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhj s PRO 2 N 0.00 1.23 0.24 0.03 0.02 -1.26 -5.05 135.00 130.21 1xhj s PRO 2 Ca 0.00 0.29 -0.09 0.00 0.02 0.00 0.00 61.00 61.22 1xhj s PRO 2 Cb 0.00 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.60 1xhj s PRO 2 CO 0.00 -2.14 0.56 0.99 -0.33 0.00 0.00 177.00 176.08 1xhj s THR 3 N -3.30 4.94 -2.44 0.99 2.01 -1.26 -4.99 115.64 111.60 1xhj s THR 3 Ca 0.64 0.42 0.23 0.00 0.31 0.00 0.00 61.69 63.28 1xhj s THR 3 Cb -0.14 -3.64 0.45 0.00 0.01 0.00 0.00 72.50 69.18 1xhj s THR 3 CO 0.53 -0.12 1.42 -0.62 -0.69 0.00 0.00 174.62 175.14 1xhj n GLU 4 N -0.29 2.54 -0.06 4.92 4.71 -1.26 -4.39 120.64 126.81 1xhj n GLU 4 Ca 0.00 -2.33 -0.13 0.00 -0.01 0.00 0.00 57.16 54.69 1xhj n GLU 4 Cb 0.53 -1.52 -0.06 0.00 -1.01 0.00 0.00 31.44 29.37 1xhj n GLU 4 CO 0.00 0.00 0.00 -0.97 0.09 0.00 0.00 177.13 176.25 1xhj h ASN 5 N 4.48 0.41 -1.00 1.62 -1.24 -2.05 -3.37 115.58 114.42 1xhj h ASN 5 Ca 0.00 -0.44 -0.57 0.00 0.71 0.00 0.00 56.30 56.00 1xhj h ASN 5 Cb 0.99 -0.11 -0.09 0.00 0.73 0.00 0.00 38.32 39.84 1xhj h ASN 5 CO 0.00 0.76 1.52 -2.16 -1.29 0.00 0.00 177.43 176.26 1xhj s PRO 6 N -4.46 3.51 0.82 6.67 0.05 -1.26 -4.98 135.00 135.35 1xhj s PRO 6 Ca -0.14 -1.18 -0.12 0.00 0.05 0.00 0.00 61.00 59.61 1xhj s PRO 6 Cb 0.06 -5.35 0.08 0.00 0.05 0.00 0.00 34.50 29.34 1xhj s PRO 6 CO 0.75 -2.41 1.10 0.95 0.05 0.00 0.00 177.00 177.45 1xhj s THR 7 N 5.62 2.89 0.24 1.26 -4.23 -1.26 -4.90 115.64 115.26 1xhj s THR 7 Ca 0.51 0.29 -0.05 0.00 -1.18 0.00 0.00 61.69 61.25 1xhj s THR 7 Cb -0.00 -3.02 0.21 0.00 1.34 0.00 0.00 72.50 71.03 1xhj s THR 7 CO -0.05 -0.38 1.72 0.24 -0.54 0.00 0.00 174.62 175.61 1xhj h MET 8 N -1.18 0.37 -1.42 3.99 2.86 -1.95 0.96 114.93 118.55 1xhj h MET 8 Ca -0.48 -0.02 0.44 0.00 -2.06 0.00 0.00 59.70 57.58 1xhj h MET 8 Cb 1.28 -0.08 -0.11 0.00 0.06 0.00 0.00 31.60 32.75 1xhj h MET 8 CO 0.59 0.24 0.96 0.35 1.06 0.00 0.00 176.91 180.11 1xhj h PHE 9 N 0.38 0.37 0.62 -0.22 3.04 -1.99 0.28 116.94 119.42 1xhj h PHE 9 Ca 0.40 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.33 1xhj h PHE 9 Cb 0.61 -0.09 0.01 0.00 2.56 0.00 0.00 35.95 39.04 1xhj h PHE 9 CO -0.20 -0.13 -0.30 0.22 -2.02 0.00 0.00 178.31 175.89 1xhj h ASP 10 N 0.08 -0.71 0.72 0.41 3.58 -1.15 -1.82 116.42 117.54 1xhj h ASP 10 Ca 0.80 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 58.25 1xhj h ASP 10 Cb 2.72 0.18 -0.00 0.00 1.72 0.00 0.00 39.33 43.95 1xhj h ASP 10 CO -0.29 -0.50 -0.45 -0.61 -2.88 0.00 0.00 179.24 174.52 1xhj h GLN 11 N -0.86 -1.06 -0.15 0.28 4.15 -1.07 -0.01 115.11 116.39 1xhj h GLN 11 Ca -0.09 0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.44 1xhj h GLN 11 Cb 0.64 0.24 -0.06 0.00 0.21 0.00 0.00 27.48 28.51 1xhj h GLN 11 CO 0.14 -0.70 -0.51 -0.39 -1.93 0.00 0.00 178.83 175.43 1xhj h VAL 12 N -1.10 0.00 -0.87 2.39 -1.51 -1.40 1.79 116.25 115.55 1xhj h VAL 12 Ca -0.09 0.00 0.18 0.00 -1.23 0.00 0.00 66.70 65.56 1xhj h VAL 12 Cb 0.88 0.00 -0.11 0.00 -2.13 0.00 0.00 31.29 29.94 1xhj h VAL 12 CO 0.09 0.00 0.41 0.00 -1.23 0.00 0.00 177.57 176.84 1xhj h ALA 13 N -0.35 1.34 0.14 5.19 0.00 -1.32 0.25 119.26 124.53 1xhj h ALA 13 Ca 0.03 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xhj h ALA 13 Cb 0.63 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1xhj h ALA 13 CO -0.43 -0.22 -0.07 0.93 0.00 0.00 0.00 179.25 179.47 1xhj h GLU 14 N 0.50 -0.18 0.65 0.00 3.07 0.13 -1.91 114.58 116.85 1xhj h GLU 14 Ca 0.51 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.35 1xhj h GLU 14 Cb 0.85 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.80 1xhj h GLU 14 CO -0.45 0.04 -0.42 0.28 -1.40 0.00 0.00 179.01 177.06 1xhj h VAL 15 N -0.38 0.00 -0.72 3.13 2.07 0.41 -2.29 116.25 118.48 1xhj h VAL 15 Ca -0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.66 1xhj h VAL 15 Cb 0.30 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.96 1xhj h VAL 15 CO 0.03 0.00 0.11 0.40 0.02 0.00 0.00 177.57 178.13 1xhj h ILE 16 N -1.01 0.47 -0.79 4.57 1.08 -0.65 0.77 117.51 121.95 1xhj h ILE 16 Ca -0.09 -0.07 0.13 0.00 -0.39 0.00 0.00 64.86 64.44 1xhj h ILE 16 Cb 0.81 0.24 -0.09 0.00 -3.07 0.00 0.00 36.82 34.72 1xhj h ILE 16 CO 0.07 0.04 0.39 -0.33 -0.69 0.00 0.00 178.15 177.63 1xhj h GLU 17 N 0.20 0.59 -0.17 2.37 4.39 -1.16 0.41 114.58 121.21 1xhj h GLU 17 Ca 0.40 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 60.04 1xhj h GLU 17 Cb 0.70 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1xhj h GLU 17 CO -0.55 0.39 -0.01 0.00 -1.16 0.00 0.00 179.01 177.68 1xhj h ARG 18 N 0.60 0.32 -0.04 2.33 2.47 -0.28 -3.24 114.38 116.53 1xhj h ARG 18 Ca 0.42 -0.11 -0.18 0.00 -1.26 0.00 0.00 59.98 58.85 1xhj h ARG 18 Cb 0.54 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.82 1xhj h ARG 18 CO -0.33 0.54 -0.75 -0.07 0.56 0.00 0.00 179.97 179.93 1xhj h LEU 19 N 0.05 0.34 -0.49 3.04 4.07 -0.90 -3.36 115.31 118.05 1xhj h LEU 19 Ca 0.05 -0.23 0.04 0.00 0.08 0.00 0.00 57.88 57.82 1xhj h LEU 19 Cb 0.41 -0.10 -0.06 0.00 1.08 0.00 0.00 40.66 41.99 1xhj h LEU 19 CO 0.01 0.96 -0.29 0.54 -1.08 0.00 0.00 178.44 178.58 1xhj n ARG 20 N -3.78 -0.22 -0.35 1.13 1.74 0.14 -0.10 116.66 115.21 1xhj n ARG 20 Ca -0.03 0.99 0.29 0.00 -0.77 0.00 0.00 57.85 58.33 1xhj n ARG 20 Cb 0.72 -1.47 0.55 0.00 -1.02 0.00 0.00 32.46 31.24 1xhj n ARG 20 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1xhj h PRO 21 N 0.00 0.17 0.00 5.56 0.10 -1.74 0.38 132.00 136.48 1xhj h PRO 21 Ca 0.08 -0.01 -0.00 0.00 0.10 0.00 0.00 66.00 66.17 1xhj h PRO 21 Cb 0.20 -0.04 0.00 0.00 0.10 0.00 0.00 31.00 31.26 1xhj h PRO 21 CO -0.46 0.11 -0.00 0.74 0.10 0.00 0.00 178.00 178.49 1xhj h PHE 22 N 0.18 -0.01 -0.86 0.65 0.04 -0.75 -3.18 116.94 113.01 1xhj h PHE 22 Ca 0.78 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 61.65 1xhj h PHE 22 Cb 2.03 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 40.12 1xhj h PHE 22 CO -0.01 0.84 0.56 -0.07 -0.60 0.00 0.00 178.31 179.03 1xhj h LEU 23 N -0.88 0.75 0.58 1.54 4.07 0.03 -2.58 115.31 118.81 1xhj h LEU 23 Ca -0.00 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 1xhj h LEU 23 Cb 0.85 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.44 1xhj h LEU 23 CO 0.00 0.44 -0.46 0.25 -1.08 0.00 0.00 178.44 177.59 1xhj h LEU 24 N 0.82 -1.22 -1.60 1.67 5.85 0.31 2.72 115.31 123.86 1xhj h LEU 24 Ca 0.40 0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.35 1xhj h LEU 24 Cb 0.44 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 1xhj h LEU 24 CO -0.17 -0.65 0.49 0.03 -0.34 0.00 0.00 178.44 177.80 1xhj h ARG 25 N -1.01 0.39 0.00 1.25 3.08 -1.47 -3.29 114.38 113.33 1xhj h ARG 25 Ca -0.08 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.84 1xhj h ARG 25 Cb 0.84 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1xhj h ARG 25 CO 0.01 0.26 -1.33 -0.25 -1.07 0.00 0.00 179.97 177.58 1xhj n ASP 26 N -4.47 1.91 0.00 7.04 8.00 -1.00 -4.96 116.55 123.06 1xhj n ASP 26 Ca 0.14 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.96 1xhj n ASP 26 Cb 0.51 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 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 1.47 -0.44 0.00 0.44 0.00 0.78 -5.01 105.19 102.43 1xhj n GLY 27 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 2.14 -0.79 3.53 -0.02 0.00 0.57 -4.49 105.19 106.13 1xhj n GLY 28 Ca 0.00 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1xhj n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xhj s ASP 29 N -4.00 4.53 0.08 1.61 -1.08 -1.02 -0.14 116.67 116.64 1xhj s ASP 29 Ca 0.00 -0.09 0.06 0.00 -0.52 0.00 0.00 52.55 51.99 1xhj s ASP 29 Cb 0.00 -1.29 -0.04 0.00 -1.46 0.00 0.00 42.92 40.13 1xhj s ASP 29 CO 0.00 0.30 -0.08 0.00 0.52 0.00 0.00 175.17 175.92 1xhj s THR 31 N -1.18 -0.31 0.08 0.00 2.01 -1.05 -4.92 115.64 110.27 1xhj s THR 31 Ca 0.21 0.16 -0.31 0.00 0.31 0.00 0.00 61.69 62.06 1xhj s THR 31 Cb -0.11 -0.58 -0.07 0.00 0.01 0.00 0.00 72.50 71.75 1xhj s THR 31 CO 0.13 0.06 1.34 -0.22 -0.69 0.00 0.00 174.62 175.24 1xhj s LEU 32 N 1.99 4.36 -0.22 4.42 0.20 -1.26 -0.55 118.68 127.61 1xhj s LEU 32 Ca -0.05 2.21 0.10 0.00 0.69 0.00 0.00 54.13 57.07 1xhj s LEU 32 Cb -0.10 -3.58 -0.20 0.00 -0.43 0.00 0.00 46.19 41.87 1xhj s LEU 32 CO -0.12 -0.61 -0.08 0.52 -0.29 0.00 0.00 176.35 175.77 1xhj n VAL 33 N 4.06 1.39 -3.64 1.68 0.31 0.41 -4.92 118.33 117.63 1xhj n VAL 33 Ca 0.11 -0.69 -0.10 0.00 -0.01 0.00 0.00 64.34 63.65 1xhj n VAL 33 Cb 0.44 -0.93 -0.07 0.00 -0.91 0.00 0.00 33.84 32.36 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 -5.92 -0.86 -0.24 4.52 -1.08 -1.09 -4.97 116.67 107.03 1xhj s ASP 34 Ca -0.22 1.47 -0.10 0.00 -0.52 0.00 0.00 52.55 53.19 1xhj s ASP 34 Cb 0.07 1.41 -0.04 0.00 -1.46 0.00 0.00 42.92 42.90 1xhj s ASP 34 CO 0.69 -0.24 0.14 0.54 0.52 0.00 0.00 175.17 176.82 1xhj s VAL 35 N 1.11 5.07 -0.46 1.11 0.11 -1.26 -2.09 120.40 123.99 1xhj s VAL 35 Ca -0.06 0.08 0.05 0.00 -2.93 0.00 0.00 61.98 59.13 1xhj s VAL 35 Cb -0.05 -3.37 0.18 0.00 -1.53 0.00 0.00 36.38 31.61 1xhj s VAL 35 CO -0.11 0.34 0.51 -0.70 -3.33 0.00 0.00 175.10 171.81 1xhj s GLU 36 N 1.23 0.97 0.19 1.54 2.56 -1.26 -5.01 118.70 118.92 1xhj s GLU 36 Ca 0.06 -1.62 0.00 0.00 0.00 0.00 0.00 54.97 53.41 1xhj s GLU 36 Cb -0.14 -0.80 0.00 0.00 2.00 0.00 0.00 34.13 35.19 1xhj s GLU 36 CO 0.05 -1.36 0.00 -3.47 -0.56 0.00 0.00 175.26 169.93 1xhj n ASP 37 N 2.93 0.00 0.00 -1.70 -0.08 -1.26 -0.21 116.55 116.23 1xhj n ASP 37 Ca 0.24 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 1xhj n ASP 37 Cb 0.51 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.97 1xhj n ASP 37 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xhj n GLY 38 N 0.00 0.00 2.59 0.27 0.00 -1.26 -4.85 105.19 101.95 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 -1.25 4.31 -3.00 -0.61 -0.00 0.71 -3.72 119.36 115.79 1xhj n ILE 39 Ca 0.00 -3.54 -0.41 0.00 -0.00 0.00 0.00 62.75 58.80 1xhj n ILE 39 Cb 0.09 -2.43 -0.05 0.00 -0.00 0.00 0.00 39.64 37.25 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 1.24 4.91 0.06 1.39 1.01 -1.24 -4.09 120.40 123.69 1xhj s VAL 40 Ca 0.53 1.35 -0.18 0.00 0.00 0.00 0.00 61.98 63.67 1xhj s VAL 40 Cb 0.15 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 1xhj s VAL 40 CO -0.06 -0.02 0.54 -0.54 0.00 0.00 0.00 175.10 175.02 1xhj s LYS 41 N 2.63 4.15 -0.03 2.72 1.02 -0.89 -2.66 119.74 126.68 1xhj s LYS 41 Ca 0.31 0.68 -0.14 0.00 0.02 0.00 0.00 55.97 56.83 1xhj s LYS 41 Cb -0.15 -3.24 0.02 0.00 -0.52 0.00 0.00 37.83 33.94 1xhj s LYS 41 CO 0.08 0.65 0.31 -0.48 -0.92 0.00 0.00 175.35 174.99 1xhj s LEU 42 N -1.10 0.86 0.42 3.17 2.34 0.52 -0.44 118.68 124.45 1xhj s LEU 42 Ca 0.28 0.17 0.04 0.00 0.06 0.00 0.00 54.13 54.68 1xhj s LEU 42 Cb -0.19 1.22 0.00 0.00 -0.56 0.00 0.00 46.19 46.67 1xhj s LEU 42 CO 0.18 -0.39 0.60 -1.10 -1.06 0.00 0.00 176.35 174.58 1xhj s GLN 43 N -1.07 2.97 -0.33 1.48 -0.21 0.29 -2.06 119.66 120.72 1xhj s GLN 43 Ca -0.11 -0.81 0.02 0.00 0.02 0.00 0.00 55.36 54.47 1xhj s GLN 43 Cb -0.05 -2.67 0.15 0.00 1.00 0.00 0.00 33.01 31.45 1xhj s GLN 43 CO 0.03 -0.22 0.36 -1.17 -2.12 0.00 0.00 175.29 172.17 1xhj s LEU 44 N -4.43 -0.24 -1.23 2.90 2.96 -0.63 -2.52 118.68 115.49 1xhj s LEU 44 Ca 0.49 -1.14 -0.19 0.00 -0.22 0.00 0.00 54.13 53.07 1xhj s LEU 44 Cb -0.10 0.64 -0.01 0.00 0.50 0.00 0.00 46.19 47.23 1xhj s LEU 44 CO 0.35 -0.31 1.88 1.41 -1.32 0.00 0.00 176.35 178.36 1xhj n HIS 45 N 4.74 3.65 0.00 5.38 8.25 0.98 -4.59 115.22 133.63 1xhj n HIS 45 Ca 0.05 -2.33 0.00 0.00 -0.26 0.00 0.00 57.72 55.18 1xhj n HIS 45 Cb 0.46 -2.53 0.00 0.00 1.12 0.00 0.00 29.99 29.04 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 5.26 0.44 2.83 -1.41 0.00 -1.26 -2.44 105.19 108.61 1xhj n GLY 46 Ca 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.44 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 -2.55 -0.09 0.11 4.61 0.00 -1.26 -4.74 120.51 116.60 1xhj n ALA 47 Ca 0.00 0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.59 1xhj n ALA 47 Cb 0.00 -1.57 0.31 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.32 3.17 3.73 0.00 0.00 -1.26 -5.04 105.19 104.48 1xhj n GLY 49 Ca -0.01 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 1xhj n GLY 49 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xhj n THR 50 N -1.53 0.93 -3.40 2.61 5.66 -1.26 -3.33 114.28 113.96 1xhj n THR 50 Ca 0.00 -0.23 -0.17 0.00 -3.05 0.00 0.00 64.05 60.60 1xhj n THR 50 Cb 0.00 -1.89 0.01 0.00 -1.55 0.00 0.00 70.33 66.90 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 -3.64 3.13 0.04 0.00 0.02 -1.21 -4.83 135.00 128.51 1xhj s PRO 52 Ca 0.09 1.00 0.28 0.00 0.02 0.00 0.00 61.00 62.40 1xhj s PRO 52 Cb -0.02 -4.23 1.06 0.00 0.02 0.00 0.00 34.50 31.34 1xhj s PRO 52 CO 0.83 -2.11 1.83 0.45 -0.33 0.00 0.00 177.00 177.67 1xhj n SER 53 N 10.84 0.22 -0.09 2.53 2.88 -1.26 -3.82 113.62 124.91 1xhj n SER 53 Ca 0.20 0.43 -0.19 0.00 -1.33 0.00 0.00 58.87 57.98 1xhj n SER 53 Cb 0.49 -0.47 -0.12 0.00 -0.75 0.00 0.00 64.21 63.36 1xhj n SER 53 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1xhj h SER 54 N 0.00 0.01 -1.13 -3.46 0.87 -2.00 -3.36 113.55 104.48 1xhj h SER 54 Ca 0.00 -0.67 0.31 0.00 -1.23 0.00 0.00 61.79 60.20 1xhj h SER 54 Cb 0.55 -0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.42 1xhj h SER 54 CO 0.00 1.34 0.74 0.74 -0.53 0.00 0.00 176.83 179.12 1xhj h THR 55 N -0.99 0.42 -0.40 2.23 2.02 -1.96 0.40 112.91 114.64 1xhj h THR 55 Ca -0.24 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 66.88 1xhj h THR 55 Cb 1.21 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1xhj h THR 55 CO -0.14 0.05 0.20 0.40 0.37 0.00 0.00 175.52 176.40 1xhj h ILE 56 N 0.26 0.99 -0.27 3.11 2.04 -1.71 0.24 117.51 122.17 1xhj h ILE 56 Ca 0.63 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 66.33 1xhj h ILE 56 Cb 1.86 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1xhj h ILE 56 CO -0.27 0.08 0.07 0.74 0.00 0.00 0.00 178.15 178.77 1xhj h THR 57 N 0.41 1.21 0.55 -0.27 2.02 -0.41 -2.55 112.91 113.88 1xhj h THR 57 Ca 0.17 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1xhj h THR 57 Cb 0.06 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1xhj h THR 57 CO -0.11 0.23 -0.39 0.25 0.37 0.00 0.00 175.52 175.87 1xhj h LEU 58 N 0.27 -1.01 -0.52 2.58 5.85 -0.82 0.65 115.31 122.31 1xhj h LEU 58 Ca 0.09 0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.97 1xhj h LEU 58 Cb 0.28 0.31 -0.10 0.00 0.37 0.00 0.00 40.66 41.51 1xhj h LEU 58 CO 0.00 -0.58 -0.36 0.50 -0.34 0.00 0.00 178.44 177.66 1xhj h LYS 59 N -0.91 -0.20 0.00 1.25 3.64 -0.54 0.65 116.57 120.45 1xhj h LYS 59 Ca -0.06 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1xhj h LYS 59 Cb 0.76 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1xhj h LYS 59 CO 0.03 -0.14 -0.05 0.00 -2.27 0.00 0.00 179.45 177.03 1xhj h ALA 60 N 0.82 1.65 -0.32 5.00 0.00 -1.31 -2.09 119.26 123.01 1xhj h ALA 60 Ca 0.20 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1xhj h ALA 60 Cb 0.55 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xhj h ALA 60 CO -0.64 0.06 0.01 0.78 0.00 0.00 0.00 179.25 179.46 1xhj h GLY 61 N 0.21 0.59 0.60 0.00 0.00 0.27 -2.11 103.07 102.63 1xhj h GLY 61 Ca -0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1xhj h GLY 61 CO 0.01 0.39 -0.29 -2.22 0.00 0.00 0.00 176.54 174.43 1xhj h ILE 62 N 0.35 0.00 -0.77 2.60 2.04 -0.53 -1.66 117.51 119.54 1xhj h ILE 62 Ca 0.09 -0.19 0.14 0.00 1.00 0.00 0.00 64.86 65.91 1xhj h ILE 62 Cb 0.42 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.36 1xhj h ILE 62 CO 0.01 0.00 -0.27 -0.08 0.00 0.00 0.00 178.15 177.81 1xhj h GLU 63 N -1.00 -0.05 -1.00 2.37 4.81 -1.54 0.75 114.58 118.92 1xhj h GLU 63 Ca -0.08 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1xhj h GLU 63 Cb 0.62 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.93 1xhj h GLU 63 CO 0.14 -0.03 0.64 -0.09 -0.73 0.00 0.00 179.01 178.93 1xhj h ARG 64 N -0.05 1.01 -0.76 1.92 2.43 -1.40 -0.86 114.38 116.67 1xhj h ARG 64 Ca 0.33 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.50 1xhj h ARG 64 Cb 0.58 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 1xhj h ARG 64 CO -0.81 0.67 0.45 0.00 -1.51 0.00 0.00 179.97 178.77 1xhj h ALA 65 N 1.52 1.02 0.23 2.80 0.00 0.15 0.36 119.26 125.35 1xhj h ALA 65 Ca 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 1xhj h ALA 65 Cb 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1xhj h ALA 65 CO -0.24 0.17 -0.18 -0.07 0.00 0.00 0.00 179.25 178.94 1xhj h LEU 66 N 0.83 -0.46 0.92 0.00 3.38 -0.28 1.68 115.31 121.39 1xhj h LEU 66 Ca 0.33 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 1xhj h LEU 66 Cb 0.16 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1xhj h LEU 66 CO -0.17 -0.28 -0.49 0.45 0.09 0.00 0.00 178.44 178.05 1xhj h HIS 67 N -0.42 -1.28 0.00 1.13 3.86 -1.06 -0.80 115.15 116.58 1xhj h HIS 67 Ca -0.01 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1xhj h HIS 67 Cb 0.37 0.44 0.00 0.00 1.06 0.00 0.00 27.41 29.28 1xhj h HIS 67 CO -0.12 -0.76 0.00 -1.91 0.86 0.00 0.00 177.93 176.00 1xhj n GLU 68 N -5.66 0.01 -3.21 2.45 2.13 0.12 -4.11 120.64 112.38 1xhj n GLU 68 Ca -0.16 0.37 -0.01 0.00 0.66 0.00 0.00 57.16 58.02 1xhj n GLU 68 Cb 0.52 -1.52 -0.02 0.00 0.27 0.00 0.00 31.44 30.69 1xhj n GLU 68 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1xhj s GLU 69 N -3.02 0.53 -0.10 5.31 2.02 0.57 -5.00 118.70 119.01 1xhj s GLU 69 Ca 0.04 0.33 -0.01 0.00 0.02 0.00 0.00 54.97 55.35 1xhj s GLU 69 Cb 0.06 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.32 1xhj s GLU 69 CO 0.16 -1.06 0.10 0.28 0.02 0.00 0.00 175.26 174.76 1xhj n VAL 70 N 5.31 -2.63 0.00 2.63 0.31 -0.68 -3.63 118.33 119.63 1xhj n VAL 70 Ca 0.04 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1xhj n VAL 70 Cb 0.52 -4.14 0.00 0.00 -0.91 0.00 0.00 33.84 29.31 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 -0.94 2.83 0.00 5.55 -0.02 -0.39 -4.39 135.00 137.65 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 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.86 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 3.71 3.29 3.75 -1.23 0.00 -1.26 -4.95 105.19 108.50 1xhj n GLY 72 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.29 2.55 0.00 1.61 -7.23 -1.26 -4.84 120.40 108.94 1xhj s VAL 73 Ca 0.00 0.32 0.00 0.00 -1.81 0.00 0.00 61.98 60.49 1xhj s VAL 73 Cb 0.00 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.88 1xhj s VAL 73 CO 0.00 -0.09 0.00 -0.38 -0.31 0.00 0.00 175.10 174.32 1xhj n ILE 74 N -1.86 0.00 -3.48 -0.62 5.41 -1.26 -5.07 119.36 112.48 1xhj n ILE 74 Ca 0.14 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.73 1xhj n ILE 74 Cb 0.50 -0.90 -0.04 0.00 -0.71 0.00 0.00 39.64 38.49 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 -1.92 1.15 -0.16 0.38 2.02 -1.24 -5.02 118.70 113.90 1xhj s GLU 75 Ca 0.00 -0.06 -0.06 0.00 0.02 0.00 0.00 54.97 54.88 1xhj s GLU 75 Cb 0.00 0.54 0.08 0.00 0.10 0.00 0.00 34.13 34.85 1xhj s GLU 75 CO 0.00 -0.43 0.33 0.54 0.02 0.00 0.00 175.26 175.72 1xhj s VAL 76 N -2.30 -0.52 -0.22 2.63 0.11 -1.26 -3.60 120.40 115.24 1xhj s VAL 76 Ca -0.06 0.22 -0.14 0.00 -2.93 0.00 0.00 61.98 59.07 1xhj s VAL 76 Cb -0.00 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1xhj s VAL 76 CO 0.00 0.08 0.31 -1.61 -3.33 0.00 0.00 175.10 170.55 1xhj s GLU 77 N 2.50 4.12 -0.68 1.54 0.41 -1.09 -5.01 118.70 120.50 1xhj s GLU 77 Ca 0.01 0.02 0.04 0.00 -0.41 0.00 0.00 54.97 54.62 1xhj s GLU 77 Cb -0.12 -3.55 0.17 0.00 -1.78 0.00 0.00 34.13 28.85 1xhj s GLU 77 CO -0.11 -0.02 0.47 -0.65 -0.49 0.00 0.00 175.26 174.46 1xhj s GLN 78 N 1.28 2.45 0.30 1.61 -1.52 -1.25 -0.35 119.66 122.18 1xhj s GLN 78 Ca 0.14 -3.12 -0.02 0.00 -1.95 0.00 0.00 55.36 50.42 1xhj s GLN 78 Cb -0.14 -3.48 -0.04 0.00 -0.22 0.00 0.00 33.01 29.13 1xhj s GLN 78 CO 0.07 -1.23 0.52 0.14 -0.25 0.00 0.00 175.29 174.54 1xhj s VAL 79 N -1.09 5.09 0.56 1.09 -7.23 -0.87 -4.89 120.40 113.06 1xhj s VAL 79 Ca 0.23 -0.26 0.09 0.00 -1.81 0.00 0.00 61.98 60.22 1xhj s VAL 79 Cb -0.11 -3.80 0.08 0.00 0.56 0.00 0.00 36.38 33.11 1xhj s VAL 79 CO -0.11 -0.41 0.77 -0.36 -0.31 0.00 0.00 175.10 174.68 1xhj s PHE 80 N -2.16 1.61 -1.14 2.82 0.40 -1.26 -1.60 117.98 116.64 1xhj s PHE 80 Ca 0.41 -0.66 -0.12 0.00 -0.60 0.00 0.00 56.93 55.97 1xhj s PHE 80 Cb -0.10 -2.27 0.22 0.00 0.51 0.00 0.00 43.02 41.37 1xhj s PHE 80 CO 0.33 -1.09 1.25 -1.17 0.70 0.00 0.00 175.22 175.25 1xhj s LEU 81 N -4.65 5.69 0.00 -0.37 2.96 -1.26 -4.89 118.68 116.16 1xhj s LEU 81 Ca 0.61 -3.21 0.00 0.00 -0.22 0.00 0.00 54.13 51.31 1xhj s LEU 81 Cb -0.06 -2.31 0.00 0.00 0.50 0.00 0.00 46.19 44.32 1xhj s LEU 81 CO 0.38 -0.55 0.08 -1.84 -1.32 0.00 0.00 176.35 173.10 1xhj n GLU 82 N 4.33 0.00 -1.53 1.98 0.28 -1.26 -3.77 120.64 120.66 1xhj n GLU 82 Ca 0.30 0.08 -0.27 0.00 -0.16 0.00 0.00 57.16 57.11 1xhj n GLU 82 Cb 0.42 -0.55 -0.11 0.00 1.43 0.00 0.00 31.44 32.62 1xhj n GLU 82 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 1xhj n HIS 83 N -0.16 0.84 -1.86 -1.84 1.44 -1.26 -4.84 115.22 107.55 1xhj n HIS 83 Ca 0.00 0.10 -0.42 0.00 -2.01 0.00 0.00 57.72 55.39 1xhj n HIS 83 Cb 0.00 -2.09 -0.03 0.00 0.12 0.00 0.00 29.99 27.99 1xhj n HIS 83 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1xhj s HIS 84 N 9.59 3.00 0.02 -1.40 2.46 -1.25 -5.01 115.29 122.70 1xhj s HIS 84 Ca 1.12 0.53 -0.00 0.00 0.47 0.00 0.00 55.06 57.18 1xhj s HIS 84 Cb -0.53 -4.01 0.00 0.00 -0.13 0.00 0.00 32.58 27.91 1xhj s HIS 84 CO 0.32 -3.74 0.02 -2.39 -2.47 0.00 0.00 174.74 166.48 1xhj n HIS 85 N 3.90 -3.76 -2.90 3.88 1.44 -1.26 -5.03 115.22 111.49 1xhj n HIS 85 Ca 0.14 -0.03 -0.27 0.00 -2.01 0.00 0.00 57.72 55.56 1xhj n HIS 85 Cb 0.37 -0.02 -0.04 0.00 0.12 0.00 0.00 29.99 30.43 1xhj n HIS 85 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1xhj n HIS 86 N -1.79 4.01 -1.84 -1.40 -0.00 -1.26 -4.88 115.22 108.06 1xhj n HIS 86 Ca 0.00 -3.92 -0.04 0.00 0.46 0.00 0.00 57.72 54.22 1xhj n HIS 86 Cb 0.01 -0.47 -0.01 0.00 -0.12 0.00 0.00 29.99 29.40 1xhj n HIS 86 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1xhj n HIS 87 N -0.27 -1.34 1.91 1.57 8.25 -1.26 -5.39 115.22 118.70 1xhj n HIS 87 Ca 0.32 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.93 1xhj n HIS 87 Cb 0.41 -1.53 0.91 0.00 1.12 0.00 0.00 29.99 30.90 1xhj n HIS 87 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56