#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hgc s HIS 2 N 0.00 2.61 0.06 6.34 4.02 -1.26 -4.85 115.29 122.20 1hgc s HIS 2 Ca 0.00 -0.75 0.05 0.00 1.02 0.00 0.00 55.06 55.38 1hgc s HIS 2 Cb 0.00 -4.55 -0.04 0.00 -1.02 0.00 0.00 32.58 26.97 1hgc s HIS 2 CO 0.00 -1.85 -0.05 -0.51 1.02 0.00 0.00 174.74 173.35 1hgc s LEU 3 N 4.58 3.24 0.83 0.89 1.02 -1.26 -5.09 118.68 122.90 1hgc s LEU 3 Ca 0.38 -0.21 -0.12 0.00 0.02 0.00 0.00 54.13 54.20 1hgc s LEU 3 Cb -0.05 -1.95 0.10 0.00 0.02 0.00 0.00 46.19 44.31 1hgc s LEU 3 CO -0.02 0.22 1.18 -0.89 0.02 0.00 0.00 176.35 176.86 1hgc s THR 4 N -1.16 2.00 -0.29 5.49 2.01 -1.26 -4.84 115.64 117.59 1hgc s THR 4 Ca 0.21 0.00 0.20 0.00 0.31 0.00 0.00 61.69 62.41 1hgc s THR 4 Cb -0.11 -2.95 0.15 0.00 0.01 0.00 0.00 72.50 69.60 1hgc s THR 4 CO 0.13 0.00 1.39 -0.65 -0.69 0.00 0.00 174.62 174.80 1hgc h PRO 5 N -1.16 0.00 0.00 4.92 0.11 -1.99 0.54 132.00 134.41 1hgc h PRO 5 Ca -0.47 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 1hgc h PRO 5 Cb 1.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 1hgc h PRO 5 CO 0.64 0.19 -0.78 1.49 -0.21 0.00 0.00 178.00 179.33 1hgc h GLU 6 N 0.00 0.00 0.13 1.05 4.57 -1.97 1.68 114.58 120.05 1hgc h GLU 6 Ca -0.02 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1hgc h GLU 6 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1hgc h GLU 6 CO 0.03 0.78 -0.06 0.93 -1.18 0.00 0.00 179.01 179.50 1hgc h GLU 7 N 0.00 -0.17 -0.73 1.92 5.08 -1.90 -2.18 114.58 116.59 1hgc h GLU 7 Ca -0.01 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1hgc h GLU 7 Cb 1.49 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.75 1hgc h GLU 7 CO 0.10 0.29 0.41 1.57 -1.00 0.00 0.00 179.01 180.38 1hgc h LYS 8 N -0.85 1.01 0.00 2.33 2.10 0.17 -0.84 116.57 120.49 1hgc h LYS 8 Ca -0.02 -0.10 -0.06 0.00 -2.00 0.00 0.00 60.65 58.47 1hgc h LYS 8 Cb 0.54 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1hgc h LYS 8 CO 0.03 0.73 -0.28 0.66 -2.00 0.00 0.00 179.45 178.59 1hgc h SER 9 N 1.02 0.00 1.12 7.07 4.64 0.25 -2.19 113.55 125.46 1hgc h SER 9 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1hgc h SER 9 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1hgc h SER 9 CO -0.04 0.28 -0.61 0.00 -0.87 0.00 0.00 176.83 175.59 1hgc h ALA 10 N 1.72 0.65 0.34 5.18 0.00 -0.56 -2.47 119.26 124.11 1hgc h ALA 10 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1hgc h ALA 10 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1hgc h ALA 10 CO 0.04 0.00 -0.16 0.28 0.00 0.00 0.00 179.25 179.40 1hgc h VAL 11 N 0.00 0.18 -0.68 0.00 2.07 -0.83 -3.15 116.25 113.84 1hgc h VAL 11 Ca 0.00 -0.72 0.14 0.00 0.82 0.00 0.00 66.70 66.94 1hgc h VAL 11 Cb 0.87 0.30 -0.10 0.00 -1.52 0.00 0.00 31.29 30.84 1hgc h VAL 11 CO 0.00 0.05 0.16 0.74 0.02 0.00 0.00 177.57 178.54 1hgc h THR 12 N -1.08 0.58 -0.28 2.57 2.02 -1.51 -0.11 112.91 115.10 1hgc h THR 12 Ca -0.05 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1hgc h THR 12 Cb 0.43 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1hgc h THR 12 CO 0.08 0.05 0.04 0.00 0.37 0.00 0.00 175.52 176.05 1hgc h ALA 13 N 1.55 1.54 0.00 6.16 0.00 -1.53 -1.71 119.26 125.26 1hgc h ALA 13 Ca 0.37 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1hgc h ALA 13 Cb 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1hgc h ALA 13 CO -0.46 0.34 -1.54 -0.11 0.00 0.00 0.00 179.25 177.49 1hgc n LEU 14 N -4.35 0.50 -0.01 0.00 0.00 -0.73 -3.63 117.00 108.78 1hgc n LEU 14 Ca 0.01 0.21 0.03 0.00 0.00 0.00 0.00 56.01 56.26 1hgc n LEU 14 Cb 0.19 0.04 0.41 0.00 0.00 0.00 0.00 43.42 44.06 1hgc n LEU 14 CO 0.37 0.01 1.14 -0.25 0.00 0.00 0.00 177.39 178.67 1hgc h TRP 15 N 0.00 0.53 -0.02 1.96 2.91 -0.70 0.13 115.95 120.76 1hgc h TRP 15 Ca -0.09 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.94 1hgc h TRP 15 Cb 1.25 -0.18 -0.00 0.00 -0.51 0.00 0.00 29.16 29.72 1hgc h TRP 15 CO 0.00 0.35 0.02 0.78 -1.03 0.00 0.00 178.44 178.56 1hgc h GLY 16 N 0.60 0.00 -2.98 2.65 0.00 -1.39 -0.46 103.07 101.50 1hgc h GLY 16 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1hgc h GLY 16 CO -0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.79 1hgc n LYS 17 N -3.93 3.65 -2.90 4.80 5.02 0.44 -4.94 118.16 120.31 1hgc n LYS 17 Ca -0.03 -2.87 -0.41 0.00 -2.02 0.00 0.00 58.31 52.99 1hgc n LYS 17 Cb 0.10 -1.86 -0.04 0.00 -0.02 0.00 0.00 35.03 33.21 1hgc n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hgc s VAL 18 N -1.80 4.87 -0.73 -0.18 1.01 -0.18 -4.98 120.40 118.41 1hgc s VAL 18 Ca 0.51 1.74 -0.15 0.00 0.00 0.00 0.00 61.98 64.07 1hgc s VAL 18 Cb 0.32 -4.17 0.18 0.00 0.00 0.00 0.00 36.38 32.71 1hgc s VAL 18 CO 0.25 0.26 0.71 0.21 0.00 0.00 0.00 175.10 176.52 1hgc s ASN 19 N 0.58 6.54 0.40 3.32 3.84 -1.26 -4.92 114.94 123.44 1hgc s ASN 19 Ca 0.43 -2.28 0.07 0.00 0.21 0.00 0.00 52.86 51.29 1hgc s ASN 19 Cb -0.20 -2.23 0.85 0.00 -0.55 0.00 0.00 41.25 39.12 1hgc s ASN 19 CO 0.23 -0.73 2.05 0.58 -2.79 0.00 0.00 177.10 176.44 1hgc h VAL 20 N 5.27 1.09 0.01 -5.21 2.07 -1.95 -1.39 116.25 116.14 1hgc h VAL 20 Ca -0.04 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1hgc h VAL 20 Cb 1.06 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1hgc h VAL 20 CO 0.89 0.11 -0.01 0.44 0.02 0.00 0.00 177.57 179.01 1hgc h ASP 21 N 0.58 -0.04 0.41 0.57 5.19 -1.91 0.56 116.42 121.78 1hgc h ASP 21 Ca 0.17 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.51 1hgc h ASP 21 Cb -0.02 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1hgc h ASP 21 CO -0.04 -0.01 -0.37 1.05 -3.12 0.00 0.00 179.24 176.75 1hgc h GLU 22 N -0.02 0.00 -0.04 3.56 4.11 -1.94 -0.07 114.58 120.17 1hgc h GLU 22 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.20 1hgc h GLU 22 Cb 0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1hgc h GLU 22 CO -0.01 0.37 -0.91 0.28 0.07 0.00 0.00 179.01 178.81 1hgc h VAL 23 N 0.00 1.33 -0.16 -1.06 2.07 -1.11 -0.83 116.25 116.49 1hgc h VAL 23 Ca -0.00 -2.24 -0.17 0.00 0.82 0.00 0.00 66.70 65.11 1hgc h VAL 23 Cb 0.67 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1hgc h VAL 23 CO 0.05 0.69 -0.60 1.23 0.02 0.00 0.00 177.57 178.95 1hgc h GLY 24 N 0.85 0.58 0.96 2.17 0.00 0.26 -0.99 103.07 106.90 1hgc h GLY 24 Ca -0.08 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 46.49 1hgc h GLY 24 CO 0.17 0.64 0.10 -1.33 0.00 0.00 0.00 176.54 176.12 1hgc h GLY 25 N 1.09 0.80 0.81 4.60 0.00 -0.93 -2.15 103.07 107.30 1hgc h GLY 25 Ca -0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 1hgc h GLY 25 CO 0.11 0.48 -0.07 -2.09 0.00 0.00 0.00 176.54 174.97 1hgc h GLU 26 N 0.62 0.42 0.43 4.80 4.57 -1.12 -2.20 114.58 122.10 1hgc h GLU 26 Ca 0.14 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1hgc h GLU 26 Cb 0.34 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1hgc h GLU 26 CO 0.00 0.68 -0.21 0.00 -1.18 0.00 0.00 179.01 178.31 1hgc h ALA 27 N 0.73 -0.58 -0.47 2.92 0.00 -1.16 -0.70 119.26 119.99 1hgc h ALA 27 Ca 0.05 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1hgc h ALA 27 Cb 0.54 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1hgc h ALA 27 CO 0.02 -0.78 -0.01 1.25 0.00 0.00 0.00 179.25 179.73 1hgc h LEU 28 N -0.67 0.83 0.18 0.00 5.85 -1.51 -2.54 115.31 117.44 1hgc h LEU 28 Ca -0.06 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.35 1hgc h LEU 28 Cb 0.49 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1hgc h LEU 28 CO 0.10 0.94 -0.21 1.23 -0.34 0.00 0.00 178.44 180.16 1hgc h GLY 29 N 0.70 -0.43 0.66 3.75 0.00 -1.38 -2.57 103.07 103.80 1hgc h GLY 29 Ca 0.13 0.24 0.11 0.00 0.00 0.00 0.00 47.33 47.81 1hgc h GLY 29 CO 0.03 -0.20 0.58 3.21 0.00 0.00 0.00 176.54 180.16 1hgc h ARG 30 N -0.43 0.85 0.68 4.80 3.08 -1.08 -2.18 114.38 120.10 1hgc h ARG 30 Ca 0.01 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1hgc h ARG 30 Cb 0.42 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1hgc h ARG 30 CO -0.07 0.56 -0.48 1.25 -1.07 0.00 0.00 179.97 180.16 1hgc h LEU 31 N 0.87 -1.25 -1.61 3.04 5.85 -1.11 0.80 115.31 121.90 1hgc h LEU 31 Ca 0.43 0.08 0.14 0.00 0.84 0.00 0.00 57.88 59.37 1hgc h LEU 31 Cb 0.46 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 41.83 1hgc h LEU 31 CO -0.19 -0.71 0.48 -0.07 -0.34 0.00 0.00 178.44 177.61 1hgc h LEU 32 N -1.11 0.37 0.18 2.25 4.07 -1.11 -0.85 115.31 119.11 1hgc h LEU 32 Ca -0.09 0.02 -0.33 0.00 0.08 0.00 0.00 57.88 57.56 1hgc h LEU 32 Cb 0.91 -0.06 0.01 0.00 1.08 0.00 0.00 40.66 42.61 1hgc h LEU 32 CO 0.05 0.20 -1.57 0.58 -1.08 0.00 0.00 178.44 176.62 1hgc h VAL 33 N 0.40 1.14 0.19 1.22 2.07 -0.94 -3.23 116.25 117.11 1hgc h VAL 33 Ca 0.35 -2.70 -0.32 0.00 0.82 0.00 0.00 66.70 64.85 1hgc h VAL 33 Cb 0.78 2.85 0.03 0.00 -1.52 0.00 0.00 31.29 33.44 1hgc h VAL 33 CO -0.10 0.84 -1.36 0.58 0.02 0.00 0.00 177.57 177.54 1hgc h VAL 34 N 0.10 1.31 -2.58 2.57 2.07 0.13 -3.38 116.25 116.47 1hgc h VAL 34 Ca -0.27 -2.66 -0.61 0.00 0.82 0.00 0.00 66.70 63.99 1hgc h VAL 34 Cb 2.08 2.90 -0.42 0.00 -1.52 0.00 0.00 31.29 34.33 1hgc h VAL 34 CO 0.20 0.80 -0.64 -1.22 0.02 0.00 0.00 177.57 176.73 1hgc n TYR 35 N -3.72 2.97 0.25 1.57 4.01 -0.38 -4.97 117.16 116.89 1hgc n TYR 35 Ca -0.15 -4.14 0.13 0.00 -0.16 0.00 0.00 57.90 53.58 1hgc n TYR 35 Cb 1.05 -0.53 0.70 0.00 -0.31 0.00 0.00 39.34 40.25 1hgc n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1hgc h PRO 36 N 4.78 0.00 0.00 -0.72 0.13 -1.72 -0.68 132.00 133.79 1hgc h PRO 36 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1hgc h PRO 36 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1hgc h PRO 36 CO 0.74 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.84 1hgc n TRP 37 N -2.54 0.22 0.57 1.56 2.14 -1.26 -2.78 117.44 115.36 1hgc n TRP 37 Ca -0.02 0.07 0.11 0.00 2.07 0.00 0.00 57.50 59.73 1hgc n TRP 37 Cb 0.24 -0.61 0.44 0.00 -0.81 0.00 0.00 31.31 30.58 1hgc n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1hgc n THR 38 N -1.68 0.69 0.27 -1.67 -2.24 -0.26 -2.82 114.28 106.57 1hgc n THR 38 Ca 0.07 0.10 0.16 0.00 -2.27 0.00 0.00 64.05 62.10 1hgc n THR 38 Cb 0.36 -0.89 0.71 0.00 -2.10 0.00 0.00 70.33 68.41 1hgc n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1hgc h GLN 39 N 0.00 0.00 0.00 -0.78 4.20 -1.72 -3.09 115.11 113.72 1hgc h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1hgc h GLN 39 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1hgc h GLN 39 CO 0.00 0.06 0.14 0.07 -0.67 0.00 0.00 178.83 178.43 1hgc h ARG 40 N 0.00 0.00 -0.03 1.46 0.11 -1.74 0.13 114.38 114.31 1hgc h ARG 40 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1hgc h ARG 40 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 1hgc h ARG 40 CO 0.01 0.00 -0.06 1.19 0.10 0.00 0.00 179.97 181.21 1hgc n PHE 41 N -2.31 0.00 -2.60 4.08 3.01 -1.17 -4.58 117.46 113.89 1hgc n PHE 41 Ca -0.01 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.34 1hgc n PHE 41 Cb 0.17 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.67 1hgc n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1hgc n PHE 42 N 1.14 1.77 0.16 1.38 3.72 0.45 -4.86 117.46 121.22 1hgc n PHE 42 Ca 0.14 -2.53 0.03 0.00 -0.05 0.00 0.00 57.45 55.03 1hgc n PHE 42 Cb 0.57 -0.28 0.25 0.00 -0.94 0.00 0.00 39.48 39.09 1hgc n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1hgc h GLU 43 N 2.68 0.00 0.00 -1.08 5.08 -1.81 -2.85 114.58 116.60 1hgc h GLU 43 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1hgc h GLU 43 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1hgc h GLU 43 CO 0.48 0.49 0.00 -1.13 -1.00 0.00 0.00 179.01 177.85 1hgc n SER 44 N -3.64 0.00 0.06 1.42 3.41 -1.26 -2.08 113.62 111.53 1hgc n SER 44 Ca -0.01 -1.28 0.05 0.00 -0.26 0.00 0.00 58.87 57.37 1hgc n SER 44 Cb 0.56 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.47 1hgc n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1hgc n PHE 45 N -0.77 0.98 0.00 7.33 3.01 -1.08 -5.07 117.46 121.87 1hgc n PHE 45 Ca 0.11 0.31 0.00 0.00 1.01 0.00 0.00 57.45 58.88 1hgc n PHE 45 Cb 0.05 -1.04 0.00 0.00 -0.01 0.00 0.00 39.48 38.49 1hgc n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1hgc n GLY 46 N 1.30 0.29 3.64 1.37 0.00 -0.88 -4.75 105.19 106.16 1hgc n GLY 46 Ca -0.06 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 1hgc n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hgc s ASP 47 N -4.00 6.43 -0.03 1.61 2.15 -1.26 -4.80 116.67 116.76 1hgc s ASP 47 Ca 0.00 1.86 0.05 0.00 0.43 0.00 0.00 52.55 54.89 1hgc s ASP 47 Cb 0.00 -2.53 0.08 0.00 -0.30 0.00 0.00 42.92 40.17 1hgc s ASP 47 CO 0.00 -1.18 0.94 0.18 -0.17 0.00 0.00 175.17 174.94 1hgc n LEU 48 N 8.17 1.47 0.08 -1.34 4.77 -1.26 -4.11 117.00 124.78 1hgc n LEU 48 Ca 0.19 -1.79 0.08 0.00 -0.03 0.00 0.00 56.01 54.46 1hgc n LEU 48 Cb 0.44 -0.11 0.38 0.00 -2.33 0.00 0.00 43.42 41.80 1hgc n LEU 48 CO 0.64 0.43 0.75 -1.54 -1.33 0.00 0.00 177.39 176.34 1hgc n SER 49 N -0.59 0.36 -4.10 -1.43 3.41 -1.26 -4.65 113.62 105.35 1hgc n SER 49 Ca 0.04 0.62 -0.07 0.00 -0.26 0.00 0.00 58.87 59.20 1hgc n SER 49 Cb 0.45 -0.69 -0.10 0.00 -0.26 0.00 0.00 64.21 63.62 1hgc n SER 49 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1hgc s THR 50 N -3.25 0.24 0.12 6.66 -4.23 -1.26 -4.95 115.64 108.97 1hgc s THR 50 Ca 0.02 -1.83 -0.20 0.00 -1.18 0.00 0.00 61.69 58.50 1hgc s THR 50 Cb 0.07 -1.58 -0.07 0.00 1.34 0.00 0.00 72.50 72.26 1hgc s THR 50 CO 0.24 -0.94 1.73 -0.65 -0.54 0.00 0.00 174.62 174.46 1hgc h PRO 51 N 3.11 0.08 -0.36 3.99 0.11 -1.98 1.07 132.00 138.03 1hgc h PRO 51 Ca -0.34 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 1hgc h PRO 51 Cb 1.15 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1hgc h PRO 51 CO 0.65 0.05 0.15 -0.44 -0.21 0.00 0.00 178.00 178.21 1hgc h ASP 52 N 0.08 0.49 -0.80 -2.05 3.32 -1.97 1.90 116.42 117.39 1hgc h ASP 52 Ca 0.07 -0.16 0.11 0.00 0.02 0.00 0.00 57.03 57.08 1hgc h ASP 52 Cb 0.07 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.41 1hgc h ASP 52 CO -0.10 0.51 0.42 0.00 -1.72 0.00 0.00 179.24 178.35 1hgc h ALA 53 N 1.00 1.16 -0.01 3.45 0.00 -1.70 -0.89 119.26 122.27 1hgc h ALA 53 Ca 0.12 0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 1hgc h ALA 53 Cb 0.17 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.91 1hgc h ALA 53 CO -0.01 -0.02 -0.77 0.28 0.00 0.00 0.00 179.25 178.73 1hgc h VAL 54 N 0.67 1.37 -0.15 0.00 2.07 0.23 -3.06 116.25 117.38 1hgc h VAL 54 Ca 0.41 -2.13 -0.14 0.00 0.82 0.00 0.00 66.70 65.66 1hgc h VAL 54 Cb 0.48 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1hgc h VAL 54 CO -0.30 0.64 -0.50 0.24 0.02 0.00 0.00 177.57 177.67 1hgc h MET 55 N 0.10 0.40 -0.01 1.57 2.07 0.31 -3.10 114.93 116.27 1hgc h MET 55 Ca -0.09 -0.23 0.00 0.00 -2.07 0.00 0.00 59.70 57.30 1hgc h MET 55 Cb 1.45 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 31.20 1hgc h MET 55 CO 0.15 0.81 -0.07 0.41 1.07 0.00 0.00 176.91 179.28 1hgc n GLY 56 N 0.09 -0.28 3.62 8.32 0.00 -0.36 -4.84 105.19 111.75 1hgc n GLY 56 Ca -0.02 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 1hgc n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hgc s ASN 57 N -2.15 6.77 0.63 1.61 3.84 -1.15 -4.91 114.94 119.57 1hgc s ASN 57 Ca 0.35 0.76 0.26 0.00 0.21 0.00 0.00 52.86 54.43 1hgc s ASN 57 Cb 0.21 -2.49 1.32 0.00 -0.55 0.00 0.00 41.25 39.73 1hgc s ASN 57 CO 0.39 -0.86 1.75 1.55 -2.79 0.00 0.00 177.10 177.14 1hgc h PRO 58 N 8.33 0.00 0.19 0.43 0.13 -1.90 0.19 132.00 139.38 1hgc h PRO 58 Ca -0.22 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.59 1hgc h PRO 58 Cb 1.07 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.24 1hgc h PRO 58 CO 1.00 0.00 -1.38 0.87 -0.23 0.00 0.00 178.00 178.26 1hgc h LYS 59 N 0.00 0.59 0.50 0.86 1.79 -1.91 -2.81 116.57 115.59 1hgc h LYS 59 Ca 0.13 -0.89 -0.02 0.00 -2.18 0.00 0.00 60.65 57.70 1hgc h LYS 59 Cb 1.24 0.31 -0.00 0.00 -1.58 0.00 0.00 32.23 32.20 1hgc h LYS 59 CO -0.00 1.42 -0.29 0.28 -1.08 0.00 0.00 179.45 179.77 1hgc h VAL 60 N 0.21 0.39 -0.31 0.50 2.07 -0.94 -1.68 116.25 116.49 1hgc h VAL 60 Ca -0.23 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.34 1hgc h VAL 60 Cb 2.06 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 32.14 1hgc h VAL 60 CO 0.26 0.00 -0.51 0.50 0.02 0.00 0.00 177.57 177.84 1hgc h LYS 61 N -0.75 -0.43 0.00 1.57 3.64 -1.57 1.57 116.57 120.61 1hgc h LYS 61 Ca -0.06 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1hgc h LYS 61 Cb 0.61 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1hgc h LYS 61 CO 0.07 -0.29 -0.28 0.00 -2.27 0.00 0.00 179.45 176.68 1hgc h ALA 62 N 0.02 1.33 0.16 5.00 0.00 -1.54 -1.08 119.26 123.15 1hgc h ALA 62 Ca 0.08 -0.26 -0.31 0.00 0.00 0.00 0.00 54.91 54.42 1hgc h ALA 62 Cb 0.62 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.40 1hgc h ALA 62 CO -0.53 0.36 -1.32 1.25 0.00 0.00 0.00 179.25 179.01 1hgc h HIS 63 N 0.00 1.02 -0.22 0.00 -0.00 -0.19 -2.83 115.15 112.93 1hgc h HIS 63 Ca -0.00 -0.67 0.04 0.00 -0.00 0.00 0.00 60.37 59.73 1hgc h HIS 63 Cb 0.58 -0.07 -0.07 0.00 -0.00 0.00 0.00 27.41 27.85 1hgc h HIS 63 CO 0.00 1.51 -0.54 0.78 -0.00 0.00 0.00 177.93 179.68 1hgc h GLY 64 N 0.24 -1.08 1.85 5.26 0.00 0.29 -0.08 103.07 109.54 1hgc h GLY 64 Ca -0.21 0.70 0.02 0.00 0.00 0.00 0.00 47.33 47.84 1hgc h GLY 64 CO 0.25 -0.18 0.05 1.70 0.00 0.00 0.00 176.54 178.36 1hgc h LYS 65 N -0.52 0.00 0.30 4.80 3.64 -1.31 -0.34 116.57 123.14 1hgc h LYS 65 Ca 0.04 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1hgc h LYS 65 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1hgc h LYS 65 CO -0.48 0.00 -0.14 -0.22 -2.27 0.00 0.00 179.45 176.34 1hgc h LYS 66 N 0.00 -0.39 0.37 1.90 3.64 -0.97 0.18 116.57 121.31 1hgc h LYS 66 Ca 0.03 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1hgc h LYS 66 Cb 0.14 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1hgc h LYS 66 CO -0.00 -0.07 -0.28 0.28 -2.27 0.00 0.00 179.45 177.11 1hgc h VAL 67 N -0.73 0.42 -0.46 2.00 2.07 -0.80 -1.31 116.25 117.44 1hgc h VAL 67 Ca -0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1hgc h VAL 67 Cb 0.49 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1hgc h VAL 67 CO 0.07 0.00 0.31 0.25 0.02 0.00 0.00 177.57 178.21 1hgc h LEU 68 N -0.64 0.38 -0.25 2.57 7.12 -1.14 0.22 115.31 123.57 1hgc h LEU 68 Ca -0.03 -0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.89 1hgc h LEU 68 Cb 0.55 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.59 1hgc h LEU 68 CO 0.00 0.26 -0.19 1.23 -0.13 0.00 0.00 178.44 179.61 1hgc h GLY 69 N 0.44 0.63 2.00 3.75 0.00 -0.69 -0.62 103.07 108.58 1hgc h GLY 69 Ca 0.19 -0.61 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 1hgc h GLY 69 CO -0.05 0.55 -0.28 0.00 0.00 0.00 0.00 176.54 176.76 1hgc h ALA 70 N 0.70 1.18 0.35 3.60 0.00 0.14 -3.01 119.26 122.23 1hgc h ALA 70 Ca 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1hgc h ALA 70 Cb 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1hgc h ALA 70 CO 0.05 0.35 -0.17 0.35 0.00 0.00 0.00 179.25 179.83 1hgc h PHE 71 N 0.00 -0.44 -0.96 0.00 3.57 -0.22 -3.11 116.94 115.78 1hgc h PHE 71 Ca -0.00 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.71 1hgc h PHE 71 Cb 0.65 0.15 -0.18 0.00 2.79 0.00 0.00 35.95 39.36 1hgc h PHE 71 CO 0.00 -0.21 -0.12 1.03 -2.23 0.00 0.00 178.31 176.78 1hgc h SER 72 N -0.57 -0.69 0.96 0.41 0.87 -0.98 -2.24 113.55 111.29 1hgc h SER 72 Ca -0.05 0.28 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 1hgc h SER 72 Cb 0.42 0.54 -0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1hgc h SER 72 CO 0.08 -0.32 -0.13 -0.78 -0.53 0.00 0.00 176.83 175.14 1hgc h ASP 73 N 0.01 0.00 1.93 6.23 3.58 -1.52 -2.60 116.42 124.05 1hgc h ASP 73 Ca 0.51 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.96 1hgc h ASP 73 Cb 0.91 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.96 1hgc h ASP 73 CO -0.94 0.13 -0.07 1.23 -2.88 0.00 0.00 179.24 176.71 1hgc h GLY 74 N 2.05 0.00 2.00 -0.78 0.00 -1.44 -2.74 103.07 102.15 1hgc h GLY 74 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1hgc h GLY 74 CO 0.02 0.00 -0.07 1.41 0.00 0.00 0.00 176.54 177.90 1hgc h LEU 75 N 0.00 0.00 -0.02 3.11 3.38 -1.44 0.26 115.31 120.61 1hgc h LEU 75 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hgc h LEU 75 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1hgc h LEU 75 CO 0.00 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1hgc h ALA 76 N 1.93 1.00 -0.57 1.53 0.00 -1.58 -3.31 119.26 118.27 1hgc h ALA 76 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 1hgc h ALA 76 Cb 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.55 1hgc h ALA 76 CO 0.01 0.00 -0.99 0.72 0.00 0.00 0.00 179.25 178.99 1hgc n HIS 77 N -2.53 1.90 0.25 0.00 8.25 0.74 -4.88 115.22 118.94 1hgc n HIS 77 Ca 0.05 -2.18 0.07 0.00 -0.26 0.00 0.00 57.72 55.40 1hgc n HIS 77 Cb 0.46 -0.28 0.37 0.00 1.12 0.00 0.00 29.99 31.66 1hgc n HIS 77 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1hgc h LEU 78 N 2.43 0.00 -0.08 2.41 5.85 -1.12 2.41 115.31 127.21 1hgc h LEU 78 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1hgc h LEU 78 Cb 1.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1hgc h LEU 78 CO 0.43 0.00 -0.63 -0.90 -0.34 0.00 0.00 178.44 177.00 1hgc n ASP 79 N -2.36 0.76 -2.74 1.25 5.68 -1.26 -1.95 116.55 115.93 1hgc n ASP 79 Ca -0.01 -0.58 -0.07 0.00 -0.50 0.00 0.00 54.79 53.63 1hgc n ASP 79 Cb 0.55 0.47 0.04 0.00 -1.14 0.00 0.00 41.12 41.05 1hgc n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1hgc n ASN 80 N -1.37 -2.81 0.10 -1.12 4.05 0.81 -4.81 115.26 110.11 1hgc n ASN 80 Ca 0.06 -2.98 -0.04 0.00 0.45 0.00 0.00 54.58 52.06 1hgc n ASN 80 Cb 0.34 1.67 0.09 0.00 1.23 0.00 0.00 39.78 43.10 1hgc n ASN 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1hgc h LEU 81 N 4.13 0.12 0.44 1.20 3.38 -1.69 -2.01 115.31 120.88 1hgc h LEU 81 Ca -0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1hgc h LEU 81 Cb 1.07 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1hgc h LEU 81 CO 0.19 0.80 -0.52 0.11 0.09 0.00 0.00 178.44 179.11 1hgc h LYS 82 N 0.07 -0.94 0.00 1.13 1.57 -1.89 1.25 116.57 117.76 1hgc h LYS 82 Ca -0.02 0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1hgc h LYS 82 Cb 1.27 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.78 1hgc h LYS 82 CO 0.10 -0.63 -0.41 0.78 -0.57 0.00 0.00 179.45 178.72 1hgc h GLY 83 N -0.98 0.00 1.00 3.86 0.00 -1.95 -0.92 103.07 104.08 1hgc h GLY 83 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 1hgc h GLY 83 CO -0.11 0.00 0.21 -0.84 0.00 0.00 0.00 176.54 175.81 1hgc h THR 84 N 0.00 1.23 -0.01 4.70 2.02 -0.74 -3.24 112.91 116.87 1hgc h THR 84 Ca -0.00 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.42 1hgc h THR 84 Cb 1.08 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1hgc h THR 84 CO 0.05 0.29 -0.46 0.49 0.37 0.00 0.00 175.52 176.27 1hgc n PHE 85 N -4.45 0.00 -0.33 3.16 3.72 0.43 -4.70 117.46 115.29 1hgc n PHE 85 Ca 0.03 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.63 1hgc n PHE 85 Cb 0.18 -0.04 0.38 0.00 -0.94 0.00 0.00 39.48 39.06 1hgc n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hgc h ALA 86 N 3.74 1.48 -0.01 4.37 0.00 -1.19 0.18 119.26 127.82 1hgc h ALA 86 Ca 0.00 0.31 -0.22 0.00 0.00 0.00 0.00 54.91 55.00 1hgc h ALA 86 Cb 0.66 0.50 0.02 0.00 0.00 0.00 0.00 17.79 18.97 1hgc h ALA 86 CO 0.00 -0.68 -0.87 1.79 0.00 0.00 0.00 179.25 179.49 1hgc h THR 87 N 0.02 1.33 -0.29 0.00 1.35 -1.85 -2.04 112.91 111.44 1hgc h THR 87 Ca 0.67 -2.16 -0.03 0.00 -0.55 0.00 0.00 66.41 64.34 1hgc h THR 87 Cb 1.53 2.42 -0.02 0.00 -1.73 0.00 0.00 68.15 70.35 1hgc h THR 87 CO -0.86 0.66 0.04 -0.07 -0.25 0.00 0.00 175.52 175.04 1hgc h LEU 88 N 0.23 0.38 0.49 3.87 3.38 -1.62 0.13 115.31 122.17 1hgc h LEU 88 Ca -0.11 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1hgc h LEU 88 Cb 1.54 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 1hgc h LEU 88 CO 0.17 0.42 -0.29 -1.28 0.09 0.00 0.00 178.44 177.55 1hgc h SER 89 N 0.41 -0.72 -0.96 -0.43 0.87 -0.52 0.45 113.55 112.66 1hgc h SER 89 Ca 0.10 0.04 0.12 0.00 -1.23 0.00 0.00 61.79 60.82 1hgc h SER 89 Cb 0.21 0.21 -0.08 0.00 -0.44 0.00 0.00 62.40 62.30 1hgc h SER 89 CO 0.00 -0.45 0.61 -0.33 -0.53 0.00 0.00 176.83 176.13 1hgc h GLU 90 N -0.72 0.88 -0.60 2.24 5.08 -1.09 -1.08 114.58 119.29 1hgc h GLU 90 Ca -0.07 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 1hgc h GLU 90 Cb 0.57 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1hgc h GLU 90 CO 0.08 0.58 0.07 1.25 -1.00 0.00 0.00 179.01 179.98 1hgc h LEU 91 N 0.90 0.95 -0.47 1.33 5.85 -0.53 0.45 115.31 123.78 1hgc h LEU 91 Ca 0.47 -0.23 -0.17 0.00 0.84 0.00 0.00 57.88 58.79 1hgc h LEU 91 Cb 0.53 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1hgc h LEU 91 CO -0.23 0.97 -0.68 0.45 -0.34 0.00 0.00 178.44 178.60 1hgc h HIS 92 N 0.93 0.49 0.00 1.25 3.86 -0.18 -0.44 115.15 121.07 1hgc h HIS 92 Ca 0.18 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1hgc h HIS 92 Cb 0.44 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1hgc h HIS 92 CO 0.03 0.94 0.00 0.00 0.86 0.00 0.00 177.93 179.76 1hgc h ASP 94 N 0.00 0.82 0.00 0.00 3.32 -0.26 -2.85 116.42 117.45 1hgc h ASP 94 Ca 0.00 0.05 -0.23 0.00 0.02 0.00 0.00 57.03 56.87 1hgc h ASP 94 Cb 0.00 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1hgc h ASP 94 CO 0.00 0.41 -1.78 0.29 -1.72 0.00 0.00 179.24 176.44 1hgc n LYS 95 N -4.61 0.31 0.07 3.56 4.76 -0.61 -4.73 118.16 116.91 1hgc n LYS 95 Ca 0.19 0.12 0.12 0.00 -2.87 0.00 0.00 58.31 55.86 1hgc n LYS 95 Cb 0.42 -1.08 0.11 0.00 -1.84 0.00 0.00 35.03 32.64 1hgc n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1hgc h LEU 96 N -0.36 0.00 -1.04 -0.35 3.38 -1.12 -3.48 115.31 112.34 1hgc h LEU 96 Ca -0.34 -0.17 -0.44 0.00 0.09 0.00 0.00 57.88 57.02 1hgc h LEU 96 Cb 1.36 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.14 1hgc h LEU 96 CO -0.17 0.08 -0.74 1.41 0.09 0.00 0.00 178.44 179.11 1hgc n HIS 97 N -2.27 -2.45 -2.75 1.13 8.25 0.46 -4.94 115.22 112.65 1hgc n HIS 97 Ca 0.02 0.94 -0.42 0.00 -0.26 0.00 0.00 57.72 58.00 1hgc n HIS 97 Cb 0.47 -4.39 -0.03 0.00 1.12 0.00 0.00 29.99 27.16 1hgc n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1hgc s VAL 98 N -3.34 4.82 -0.03 1.59 1.01 0.34 -5.00 120.40 119.78 1hgc s VAL 98 Ca 0.55 1.93 -0.30 0.00 0.00 0.00 0.00 61.98 64.16 1hgc s VAL 98 Cb -0.27 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 31.80 1hgc s VAL 98 CO 0.79 0.02 1.50 -0.62 0.00 0.00 0.00 175.10 176.79 1hgc s ASP 99 N 1.10 6.77 0.19 3.32 -1.08 -1.26 -4.69 116.67 121.01 1hgc s ASP 99 Ca 0.46 2.15 0.13 0.00 -0.52 0.00 0.00 52.55 54.76 1hgc s ASP 99 Cb -0.18 -2.55 0.69 0.00 -1.46 0.00 0.00 42.92 39.42 1hgc s ASP 99 CO 0.17 -0.81 1.39 -2.65 0.52 0.00 0.00 175.17 173.78 1hgc n PRO 100 N 6.14 0.08 0.24 4.34 -0.02 -1.26 -1.29 135.00 143.24 1hgc n PRO 100 Ca 0.15 0.58 0.13 0.00 -2.02 0.00 0.00 63.50 62.34 1hgc n PRO 100 Cb 0.43 -1.77 0.54 0.00 -0.02 0.00 0.00 33.50 32.67 1hgc n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1hgc h GLU 101 N 0.00 0.00 0.00 -0.52 4.57 -1.96 -1.67 114.58 115.00 1hgc h GLU 101 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1hgc h GLU 101 Cb 0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1hgc h GLU 101 CO 0.00 0.13 -0.19 -0.91 -1.18 0.00 0.00 179.01 176.86 1hgc h ASN 102 N 0.00 0.00 -0.29 1.04 -0.26 -1.58 -1.89 115.58 112.61 1hgc h ASN 102 Ca -0.00 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.63 1hgc h ASN 102 Cb 0.66 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.91 1hgc h ASN 102 CO 0.02 0.19 -0.20 -0.26 -1.06 0.00 0.00 177.43 176.11 1hgc h PHE 103 N 0.00 0.85 -0.10 1.19 0.04 -1.47 0.42 116.94 117.86 1hgc h PHE 103 Ca -0.00 -0.18 -0.04 0.00 2.80 0.00 0.00 57.97 60.55 1hgc h PHE 103 Cb 0.38 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.32 1hgc h PHE 103 CO 0.00 0.89 -0.08 0.00 -0.60 0.00 0.00 178.31 178.52 1hgc h ARG 104 N 0.66 0.23 -0.52 1.51 3.08 -1.44 -2.05 114.38 115.86 1hgc h ARG 104 Ca 0.10 -0.11 0.10 0.00 0.07 0.00 0.00 59.98 60.13 1hgc h ARG 104 Cb 0.70 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.67 1hgc h ARG 104 CO 0.05 0.62 0.02 -0.07 -1.07 0.00 0.00 179.97 179.53 1hgc h LEU 105 N -0.16 -0.19 -0.23 3.04 3.38 -1.16 -1.09 115.31 118.91 1hgc h LEU 105 Ca 0.02 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1hgc h LEU 105 Cb 0.57 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1hgc h LEU 105 CO 0.02 -0.06 0.01 0.25 0.09 0.00 0.00 178.44 178.75 1hgc h LEU 106 N 0.14 -0.07 -0.71 1.67 5.85 -0.75 -1.41 115.31 120.02 1hgc h LEU 106 Ca 0.26 0.05 0.11 0.00 0.84 0.00 0.00 57.88 59.14 1hgc h LEU 106 Cb 0.40 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 1hgc h LEU 106 CO -0.42 -0.01 0.32 1.23 -0.34 0.00 0.00 178.44 179.23 1hgc h GLY 107 N 0.08 1.06 1.27 3.75 0.00 -0.60 0.25 103.07 108.89 1hgc h GLY 107 Ca 0.11 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 1hgc h GLY 107 CO -0.17 0.00 -0.33 3.43 0.00 0.00 0.00 176.54 179.47 1hgc h ASN 108 N 0.53 0.85 -0.35 0.19 2.35 -0.81 -0.27 115.58 118.07 1hgc h ASN 108 Ca 0.36 -0.36 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1hgc h ASN 108 Cb 0.44 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1hgc h ASN 108 CO -0.31 1.11 0.14 0.58 -1.65 0.00 0.00 177.43 177.30 1hgc h VAL 109 N 0.68 1.18 0.25 2.81 2.07 -0.14 -2.08 116.25 121.02 1hgc h VAL 109 Ca 0.07 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1hgc h VAL 109 Cb 0.88 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1hgc h VAL 109 CO 0.08 0.20 -0.52 0.25 0.02 0.00 0.00 177.57 177.60 1hgc h LEU 110 N 0.41 -1.51 -1.55 2.57 5.85 -0.44 0.46 115.31 121.11 1hgc h LEU 110 Ca 0.12 0.15 0.27 0.00 0.84 0.00 0.00 57.88 59.26 1hgc h LEU 110 Cb 0.17 0.54 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 1hgc h LEU 110 CO -0.01 -0.59 0.69 0.58 -0.34 0.00 0.00 178.44 178.77 1hgc h VAL 111 N -0.83 0.52 -0.13 1.05 2.07 -0.91 0.63 116.25 118.65 1hgc h VAL 111 Ca -0.02 -0.10 -0.20 0.00 0.82 0.00 0.00 66.70 67.20 1hgc h VAL 111 Cb 0.80 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1hgc h VAL 111 CO -0.21 0.05 -0.73 0.00 0.02 0.00 0.00 177.57 176.70 1hgc h VAL 113 N 0.42 1.28 -0.83 0.00 2.07 0.47 -2.13 116.25 117.52 1hgc h VAL 113 Ca -0.03 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.40 1hgc h VAL 113 Cb 1.32 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.35 1hgc h VAL 113 CO 0.14 0.36 0.54 -0.07 0.02 0.00 0.00 177.57 178.56 1hgc h LEU 114 N 0.43 0.90 -0.17 2.57 3.38 -0.64 -2.09 115.31 119.69 1hgc h LEU 114 Ca 0.09 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1hgc h LEU 114 Cb 0.56 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1hgc h LEU 114 CO 0.03 0.63 0.07 0.00 0.09 0.00 0.00 178.44 179.25 1hgc h ALA 115 N 1.34 0.22 -0.75 1.53 0.00 -1.36 -0.33 119.26 119.90 1hgc h ALA 115 Ca 0.32 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.30 1hgc h ALA 115 Cb -0.02 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 17.57 1hgc h ALA 115 CO -0.10 -0.19 -0.06 1.25 0.00 0.00 0.00 179.25 180.15 1hgc h HIS 116 N 0.12 -0.17 0.22 0.00 6.17 -0.81 0.23 115.15 120.91 1hgc h HIS 116 Ca 0.06 0.06 -0.32 0.00 0.71 0.00 0.00 60.37 60.88 1hgc h HIS 116 Cb 0.17 0.19 0.04 0.00 2.52 0.00 0.00 27.41 30.33 1hgc h HIS 116 CO -0.01 -0.27 -1.37 1.25 0.71 0.00 0.00 177.93 178.23 1hgc h HIS 117 N 0.06 0.96 -0.02 5.26 6.17 -1.36 -3.35 115.15 122.87 1hgc h HIS 117 Ca 0.40 -0.68 0.00 0.00 0.71 0.00 0.00 60.37 60.80 1hgc h HIS 117 Cb 0.68 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.56 1hgc h HIS 117 CO -0.48 1.53 -0.16 1.19 0.71 0.00 0.00 177.93 180.72 1hgc n PHE 118 N -3.78 0.00 0.00 5.26 3.72 -0.14 -5.02 117.46 117.50 1hgc n PHE 118 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1hgc n PHE 118 Cb 1.06 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 1hgc n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hgc n GLY 119 N 1.32 2.15 0.34 1.37 0.00 0.79 -0.74 105.19 110.43 1hgc n GLY 119 Ca 0.14 -0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.48 1hgc n GLY 119 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1hgc n LYS 120 N 12.22 -0.05 0.26 1.61 3.00 -1.26 -0.38 118.16 133.55 1hgc n LYS 120 Ca 0.00 1.28 0.17 0.00 -0.00 0.00 0.00 58.31 59.76 1hgc n LYS 120 Cb 0.00 -2.36 0.77 0.00 0.00 0.00 0.00 35.03 33.44 1hgc n LYS 120 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1hgc h GLU 121 N 0.00 0.00 -4.05 1.64 4.81 -1.32 -3.35 114.58 112.31 1hgc h GLU 121 Ca 0.82 0.00 -0.77 0.00 -0.13 0.00 0.00 59.36 59.27 1hgc h GLU 121 Cb 2.29 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 31.43 1hgc h GLU 121 CO -0.66 0.00 0.68 0.12 -0.73 0.00 0.00 179.01 178.43 1hgc s PHE 122 N -3.71 3.90 0.62 0.92 5.36 0.49 -4.92 117.98 120.64 1hgc s PHE 122 Ca -0.00 -2.33 -0.11 0.00 -0.96 0.00 0.00 56.93 53.52 1hgc s PHE 122 Cb 0.10 -4.00 -0.04 0.00 -0.34 0.00 0.00 43.02 38.74 1hgc s PHE 122 CO 0.45 -1.12 1.03 0.95 -1.46 0.00 0.00 175.22 175.07 1hgc s THR 123 N 0.04 4.61 0.25 0.12 -4.23 -1.26 -4.72 115.64 110.47 1hgc s THR 123 Ca 0.32 0.88 -0.10 0.00 -1.18 0.00 0.00 61.69 61.61 1hgc s THR 123 Cb -0.08 -3.80 0.39 0.00 1.34 0.00 0.00 72.50 70.35 1hgc s THR 123 CO -0.06 -1.08 1.47 -2.65 -0.54 0.00 0.00 174.62 171.76 1hgc n PRO 124 N -2.71 -0.11 0.13 3.99 -0.02 -1.26 0.69 135.00 135.70 1hgc n PRO 124 Ca 0.06 1.47 -0.02 0.00 -2.02 0.00 0.00 63.50 63.00 1hgc n PRO 124 Cb 0.54 -2.19 0.16 0.00 -0.02 0.00 0.00 33.50 31.99 1hgc n PRO 124 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1hgc h PRO 125 N 0.00 0.01 -0.01 0.52 0.11 -1.99 -2.21 132.00 128.43 1hgc h PRO 125 Ca 0.43 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 66.32 1hgc h PRO 125 Cb 0.66 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.79 1hgc h PRO 125 CO -0.96 0.63 -0.80 0.28 -0.21 0.00 0.00 178.00 176.93 1hgc h VAL 126 N 0.01 1.35 -0.08 3.15 2.07 -0.44 -2.94 116.25 119.37 1hgc h VAL 126 Ca -0.01 -2.14 0.03 0.00 0.82 0.00 0.00 66.70 65.41 1hgc h VAL 126 Cb 1.10 2.46 -0.04 0.00 -1.52 0.00 0.00 31.29 33.30 1hgc h VAL 126 CO 0.08 0.64 -0.14 -0.61 0.02 0.00 0.00 177.57 177.57 1hgc h GLN 127 N 0.15 -0.19 -1.00 1.57 4.15 0.33 -2.31 115.11 117.81 1hgc h GLN 127 Ca -0.10 0.01 0.21 0.00 0.77 0.00 0.00 58.65 59.55 1hgc h GLN 127 Cb 1.48 0.04 -0.11 0.00 0.21 0.00 0.00 27.48 29.10 1hgc h GLN 127 CO 0.16 -0.13 0.59 0.00 -1.93 0.00 0.00 178.83 177.53 1hgc h ALA 128 N 0.82 1.70 -0.16 3.38 0.00 -1.35 0.22 119.26 123.87 1hgc h ALA 128 Ca 0.07 0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1hgc h ALA 128 Cb 0.30 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1hgc h ALA 128 CO -0.19 -0.15 -0.62 0.00 0.00 0.00 0.00 179.25 178.28 1hgc h ALA 129 N 1.68 0.29 -0.51 0.00 0.00 -1.32 -2.98 119.26 116.42 1hgc h ALA 129 Ca 0.60 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1hgc h ALA 129 Cb 1.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1hgc h ALA 129 CO -0.43 0.56 0.06 1.88 0.00 0.00 0.00 179.25 181.33 1hgc h TYR 130 N 0.41 0.85 -0.64 0.00 0.05 -0.53 -1.25 116.97 115.86 1hgc h TYR 130 Ca -0.03 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.64 1hgc h TYR 130 Cb 1.25 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 38.72 1hgc h TYR 130 CO 0.09 0.75 0.36 1.96 -1.05 0.00 0.00 178.16 180.28 1hgc h GLN 131 N 0.77 0.87 -0.04 4.88 1.08 -0.63 0.37 115.11 122.42 1hgc h GLN 131 Ca 0.16 -0.09 -0.11 0.00 -1.45 0.00 0.00 58.65 57.16 1hgc h GLN 131 Cb 0.38 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1hgc h GLN 131 CO 0.01 0.63 -0.51 0.87 -0.95 0.00 0.00 178.83 178.89 1hgc h LYS 132 N 0.89 0.10 0.35 1.46 1.57 -1.12 -2.52 116.57 117.29 1hgc h LYS 132 Ca 0.23 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1hgc h LYS 132 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1hgc h LYS 132 CO -0.04 0.58 -0.17 0.28 -0.57 0.00 0.00 179.45 179.54 1hgc h VAL 133 N 0.08 0.24 0.00 0.50 2.07 -0.09 -2.38 116.25 116.67 1hgc h VAL 133 Ca 0.00 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1hgc h VAL 133 Cb 0.93 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1hgc h VAL 133 CO 0.07 0.06 0.00 -0.37 0.02 0.00 0.00 177.57 177.35 1hgc h VAL 134 N -1.06 0.00 0.18 2.57 -1.51 -1.05 -0.23 116.25 115.16 1hgc h VAL 134 Ca -0.05 -0.07 -0.33 0.00 -1.23 0.00 0.00 66.70 65.02 1hgc h VAL 134 Cb 0.45 0.95 0.01 0.00 -2.13 0.00 0.00 31.29 30.57 1hgc h VAL 134 CO 0.08 0.00 -1.57 0.00 -1.23 0.00 0.00 177.57 174.84 1hgc h ALA 135 N 2.01 0.09 -0.29 5.19 0.00 -1.47 -2.74 119.26 122.06 1hgc h ALA 135 Ca 0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 54.91 53.73 1hgc h ALA 135 Cb 0.07 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1hgc h ALA 135 CO 0.00 0.96 -0.41 0.78 0.00 0.00 0.00 179.25 180.58 1hgc h GLY 136 N 0.88 0.76 0.97 0.00 0.00 -0.69 -2.43 103.07 102.55 1hgc h GLY 136 Ca -0.27 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.28 1hgc h GLY 136 CO 0.21 0.70 0.10 -2.08 0.00 0.00 0.00 176.54 175.46 1hgc h VAL 137 N 0.57 1.07 -0.88 4.60 2.07 -1.17 0.03 116.25 122.54 1hgc h VAL 137 Ca 0.05 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.46 1hgc h VAL 137 Cb 0.95 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 1hgc h VAL 137 CO 0.09 0.07 0.57 0.00 0.02 0.00 0.00 177.57 178.31 1hgc h ALA 138 N 1.02 1.54 0.09 1.67 0.00 -1.42 0.15 119.26 122.31 1hgc h ALA 138 Ca 0.06 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 1hgc h ALA 138 Cb 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1hgc h ALA 138 CO -0.01 0.33 -1.15 -0.91 0.00 0.00 0.00 179.25 177.52 1hgc h ASN 139 N 0.99 0.45 -0.27 0.00 2.35 -1.13 -2.36 115.58 115.62 1hgc h ASN 139 Ca 0.38 -0.44 -0.16 0.00 -0.55 0.00 0.00 56.30 55.52 1hgc h ASN 139 Cb 0.20 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1hgc h ASN 139 CO -0.14 1.31 -0.47 0.00 -1.65 0.00 0.00 177.43 176.48 1hgc h ALA 140 N 0.64 0.42 0.00 -0.83 0.00 -0.48 -1.85 119.26 117.17 1hgc h ALA 140 Ca -0.12 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 1hgc h ALA 140 Cb 1.84 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1hgc h ALA 140 CO 0.19 0.58 -0.41 -0.07 0.00 0.00 0.00 179.25 179.55 1hgc h LEU 141 N 0.56 0.00 -0.13 0.00 3.38 -0.79 -2.71 115.31 115.63 1hgc h LEU 141 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1hgc h LEU 141 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1hgc h LEU 141 CO 0.11 0.41 -0.31 0.00 0.09 0.00 0.00 178.44 178.74 1hgc n ALA 142 N -2.41 3.13 -0.20 1.53 0.00 -0.89 -4.38 120.51 117.28 1hgc n ALA 142 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 53.44 53.10 1hgc n ALA 142 Cb 0.46 -1.22 0.05 0.00 0.00 0.00 0.00 19.45 18.74 1hgc n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hgc h HIS 143 N 0.31 -0.45 -0.47 0.00 6.17 -0.99 -2.83 115.15 116.88 1hgc h HIS 143 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1hgc h HIS 143 Cb 0.48 0.29 0.00 0.00 2.52 0.00 0.00 27.41 30.70 1hgc h HIS 143 CO 0.00 -0.30 0.00 1.63 0.71 0.00 0.00 177.93 179.97 1hgc n LYS 144 N -5.43 2.10 -2.24 5.26 4.76 -1.26 -4.93 118.16 116.41 1hgc n LYS 144 Ca 0.07 -1.70 -0.41 0.00 -2.87 0.00 0.00 58.31 53.39 1hgc n LYS 144 Cb 0.33 -1.37 -0.03 0.00 -1.84 0.00 0.00 35.03 32.12 1hgc n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1hgc s TYR 145 N -1.37 3.27 0.00 2.13 1.51 -1.07 -4.64 117.35 117.18 1hgc s TYR 145 Ca 0.32 1.29 0.00 0.00 -1.01 0.00 0.00 57.07 57.67 1hgc s TYR 145 Cb 0.16 -3.57 0.00 0.00 -0.11 0.00 0.00 41.96 38.44 1hgc s TYR 145 CO 0.21 -1.72 0.00 -2.39 -1.11 0.00 0.00 175.55 170.54