#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 3.68 -0.01 6.34 3.76 -1.26 -4.77 115.29 123.03 1hgc s HIS 2 Ca 0.00 -2.17 -0.03 0.00 -0.15 0.00 0.00 55.06 52.71 1hgc s HIS 2 Cb 0.00 -3.67 -0.04 0.00 1.11 0.00 0.00 32.58 29.98 1hgc s HIS 2 CO 0.00 -0.95 0.17 -0.51 -0.85 0.00 0.00 174.74 172.60 1hgc s LEU 3 N 0.09 4.32 1.19 0.89 1.02 -1.26 -5.09 118.68 119.85 1hgc s LEU 3 Ca 0.18 0.33 -0.19 0.00 0.02 0.00 0.00 54.13 54.47 1hgc s LEU 3 Cb -0.12 -2.55 0.28 0.00 0.02 0.00 0.00 46.19 43.82 1hgc s LEU 3 CO -0.08 0.27 1.12 -0.89 0.02 0.00 0.00 176.35 176.80 1hgc s THR 4 N -1.30 1.61 -0.70 5.49 2.01 -1.26 -4.76 115.64 116.74 1hgc s THR 4 Ca 0.26 0.00 0.23 0.00 0.31 0.00 0.00 61.69 62.49 1hgc s THR 4 Cb -0.13 -2.52 -0.08 0.00 0.01 0.00 0.00 72.50 69.78 1hgc s THR 4 CO 0.17 0.00 1.11 -0.81 -0.69 0.00 0.00 174.62 174.41 1hgc n PRO 5 N -4.71 0.22 0.06 4.92 -0.04 -1.26 -1.00 135.00 133.18 1hgc n PRO 5 Ca 0.14 0.01 0.02 0.00 -0.04 0.00 0.00 63.50 63.62 1hgc n PRO 5 Cb 0.60 -1.58 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 1hgc n PRO 5 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1hgc h GLU 6 N 0.00 0.00 0.23 0.54 3.07 -1.97 -1.84 114.58 114.61 1hgc h GLU 6 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1hgc h GLU 6 Cb 0.68 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 1hgc h GLU 6 CO 0.00 0.29 -0.11 0.93 -1.40 0.00 0.00 179.01 178.72 1hgc h GLU 7 N 0.00 -0.30 0.00 2.33 5.08 -1.90 0.21 114.58 120.00 1hgc h GLU 7 Ca -0.12 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1hgc h GLU 7 Cb 1.48 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 1hgc h GLU 7 CO 0.04 0.06 -0.21 1.57 -1.00 0.00 0.00 179.01 179.47 1hgc h LYS 8 N -0.78 0.00 -0.02 2.33 2.10 -1.17 0.35 116.57 119.38 1hgc h LYS 8 Ca -0.03 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.49 1hgc h LYS 8 Cb 0.51 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.82 1hgc h LYS 8 CO 0.05 0.21 -0.57 0.66 -2.00 0.00 0.00 179.45 177.80 1hgc h SER 9 N 0.00 0.06 0.00 7.07 4.64 -1.17 -2.42 113.55 121.74 1hgc h SER 9 Ca -0.00 -0.04 -0.26 0.00 -0.47 0.00 0.00 61.79 61.02 1hgc h SER 9 Cb 0.44 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1hgc h SER 9 CO 0.03 0.63 -1.04 0.00 -0.87 0.00 0.00 176.83 175.58 1hgc h ALA 10 N 1.38 0.12 0.29 5.18 0.00 -0.18 -1.72 119.26 124.32 1hgc h ALA 10 Ca -0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1hgc h ALA 10 Cb 1.03 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1hgc h ALA 10 CO 0.08 0.67 -0.28 0.28 0.00 0.00 0.00 179.25 180.00 1hgc h VAL 11 N 0.38 0.40 -0.60 0.00 2.07 -0.88 -2.87 116.25 114.75 1hgc h VAL 11 Ca -0.13 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1hgc h VAL 11 Cb 1.69 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1hgc h VAL 11 CO 0.20 0.00 0.23 0.74 0.02 0.00 0.00 177.57 178.77 1hgc h THR 12 N -0.60 1.22 -0.03 2.57 2.02 -1.52 -0.12 112.91 116.44 1hgc h THR 12 Ca -0.01 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 1hgc h THR 12 Cb 0.55 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1hgc h THR 12 CO -0.06 0.27 0.01 0.00 0.37 0.00 0.00 175.52 176.11 1hgc h ALA 13 N 1.39 0.04 0.05 6.16 0.00 -1.22 -2.91 119.26 122.77 1hgc h ALA 13 Ca 0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1hgc h ALA 13 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1hgc h ALA 13 CO -0.02 -0.34 -0.02 1.25 0.00 0.00 0.00 179.25 180.12 1hgc h LEU 14 N -0.17 -0.06 -1.45 0.00 6.46 -1.50 -2.91 115.31 115.68 1hgc h LEU 14 Ca 0.01 -0.33 0.10 0.00 -0.12 0.00 0.00 57.88 57.54 1hgc h LEU 14 Cb 0.23 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1hgc h LEU 14 CO 0.00 0.31 0.67 -0.25 -0.62 0.00 0.00 178.44 178.55 1hgc h TRP 15 N -0.43 0.00 0.00 1.25 2.91 -1.03 0.69 115.95 119.34 1hgc h TRP 15 Ca -0.01 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 1hgc h TRP 15 Cb 0.39 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.03 1hgc h TRP 15 CO 0.05 0.00 -0.18 0.78 -1.03 0.00 0.00 178.44 178.06 1hgc h GLY 16 N 0.00 0.00 0.10 2.65 0.00 -1.30 -2.98 103.07 101.54 1hgc h GLY 16 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1hgc h GLY 16 CO -0.00 0.00 -0.64 0.28 0.00 0.00 0.00 176.54 176.18 1hgc n LYS 17 N -3.22 0.39 -2.88 4.80 5.02 0.24 -4.95 118.16 117.55 1hgc n LYS 17 Ca 0.02 -0.29 -0.37 0.00 -2.02 0.00 0.00 58.31 55.65 1hgc n LYS 17 Cb 0.49 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 1hgc n LYS 17 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1hgc s VAL 18 N -2.81 4.31 -0.53 -0.18 -7.23 -1.13 -5.02 120.40 107.81 1hgc s VAL 18 Ca 0.14 1.69 -0.19 0.00 -1.81 0.00 0.00 61.98 61.80 1hgc s VAL 18 Cb 0.17 -4.00 0.07 0.00 0.56 0.00 0.00 36.38 33.18 1hgc s VAL 18 CO 0.71 0.22 0.66 0.21 -0.31 0.00 0.00 175.10 176.58 1hgc s ASN 19 N -1.56 6.21 0.27 4.85 3.84 -1.26 -4.95 114.94 122.34 1hgc s ASN 19 Ca 0.46 -1.05 -0.00 0.00 0.21 0.00 0.00 52.86 52.48 1hgc s ASN 19 Cb -0.19 -2.30 0.38 0.00 -0.55 0.00 0.00 41.25 38.59 1hgc s ASN 19 CO 0.24 -0.97 1.76 0.58 -2.79 0.00 0.00 177.10 175.91 1hgc h VAL 20 N 5.88 1.24 -0.19 -5.21 2.07 -1.95 0.37 116.25 118.47 1hgc h VAL 20 Ca -0.28 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.22 1hgc h VAL 20 Cb 1.09 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1hgc h VAL 20 CO 1.01 0.36 -0.03 0.44 0.02 0.00 0.00 177.57 179.37 1hgc h ASP 21 N 0.62 -0.14 0.94 0.57 5.19 -1.92 0.14 116.42 121.82 1hgc h ASP 21 Ca 0.12 0.05 -0.06 0.00 -0.62 0.00 0.00 57.03 56.52 1hgc h ASP 21 Cb 0.50 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.11 1hgc h ASP 21 CO 0.03 -0.05 -1.10 1.05 -3.12 0.00 0.00 179.24 176.05 1hgc h GLU 22 N 0.02 0.00 -0.06 3.56 4.11 -1.92 -3.03 114.58 117.25 1hgc h GLU 22 Ca 0.09 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.30 1hgc h GLU 22 Cb 0.13 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1hgc h GLU 22 CO -0.18 0.10 -0.87 0.28 0.07 0.00 0.00 179.01 178.42 1hgc h VAL 23 N 0.00 1.34 -0.06 -1.06 2.07 -0.16 -2.25 116.25 116.13 1hgc h VAL 23 Ca -0.05 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.26 1hgc h VAL 23 Cb 1.20 2.22 -0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1hgc h VAL 23 CO 0.02 0.68 0.04 1.23 0.02 0.00 0.00 177.57 179.55 1hgc h GLY 24 N 0.92 0.09 1.01 2.17 0.00 -0.83 -0.55 103.07 105.89 1hgc h GLY 24 Ca -0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1hgc h GLY 24 CO 0.16 0.04 0.52 -1.33 0.00 0.00 0.00 176.54 175.93 1hgc h GLY 25 N 0.07 1.24 0.89 4.60 0.00 -1.57 -2.28 103.07 106.02 1hgc h GLY 25 Ca 0.02 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 1hgc h GLY 25 CO -0.00 0.50 0.05 -2.09 0.00 0.00 0.00 176.54 174.99 1hgc h GLU 26 N 1.17 0.52 -0.30 4.80 4.57 -1.15 0.25 114.58 124.45 1hgc h GLU 26 Ca 0.31 -0.14 -0.18 0.00 -1.18 0.00 0.00 59.36 58.16 1hgc h GLU 26 Cb -0.05 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1hgc h GLU 26 CO -0.06 0.62 -0.53 0.00 -1.18 0.00 0.00 179.01 177.87 1hgc h ALA 27 N 0.88 0.49 -0.03 2.92 0.00 -1.06 -0.98 119.26 121.47 1hgc h ALA 27 Ca 0.09 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1hgc h ALA 27 Cb 0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1hgc h ALA 27 CO 0.01 0.68 -0.00 1.25 0.00 0.00 0.00 179.25 181.19 1hgc h LEU 28 N 0.68 0.05 -0.21 0.00 5.85 -1.43 -2.00 115.31 118.25 1hgc h LEU 28 Ca 0.02 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.46 1hgc h LEU 28 Cb 1.13 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1hgc h LEU 28 CO 0.12 0.35 -0.02 1.23 -0.34 0.00 0.00 178.44 179.78 1hgc h GLY 29 N -0.25 0.19 1.61 3.75 0.00 -0.98 -1.87 103.07 105.51 1hgc h GLY 29 Ca 0.01 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.38 1hgc h GLY 29 CO 0.00 -0.05 0.25 3.21 0.00 0.00 0.00 176.54 179.95 1hgc h ARG 30 N 0.05 0.47 -0.21 4.80 3.08 -1.16 -2.19 114.38 119.21 1hgc h ARG 30 Ca 0.10 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1hgc h ARG 30 Cb 0.13 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1hgc h ARG 30 CO -0.18 0.31 0.12 1.25 -1.07 0.00 0.00 179.97 180.40 1hgc h LEU 31 N 0.48 0.26 -1.41 3.04 5.85 -0.57 -1.00 115.31 121.96 1hgc h LEU 31 Ca 0.14 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1hgc h LEU 31 Cb -0.02 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1hgc h LEU 31 CO -0.03 0.25 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.03 1hgc h LEU 32 N 0.24 0.11 0.03 2.25 4.07 -0.96 -1.61 115.31 119.44 1hgc h LEU 32 Ca 0.07 -0.03 -0.04 0.00 0.08 0.00 0.00 57.88 57.97 1hgc h LEU 32 Cb 0.04 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1hgc h LEU 32 CO -0.01 0.34 -0.16 0.58 -1.08 0.00 0.00 178.44 178.10 1hgc h VAL 33 N 0.11 1.74 0.01 1.22 2.07 -1.20 -3.24 116.25 116.97 1hgc h VAL 33 Ca 0.02 -2.38 -0.20 0.00 0.82 0.00 0.00 66.70 64.96 1hgc h VAL 33 Cb 0.44 3.36 -0.02 0.00 -1.52 0.00 0.00 31.29 33.55 1hgc h VAL 33 CO 0.03 0.63 -0.91 0.58 0.02 0.00 0.00 177.57 177.92 1hgc h VAL 34 N -0.88 1.56 -2.48 2.57 2.07 -1.21 -3.37 116.25 114.51 1hgc h VAL 34 Ca -0.03 -2.84 -0.60 0.00 0.82 0.00 0.00 66.70 64.05 1hgc h VAL 34 Cb 1.12 2.58 -0.40 0.00 -1.52 0.00 0.00 31.29 33.07 1hgc h VAL 34 CO 0.03 0.82 -0.79 -1.22 0.02 0.00 0.00 177.57 176.43 1hgc n TYR 35 N -3.57 1.54 0.30 1.57 4.01 -0.61 -4.98 117.16 115.42 1hgc n TYR 35 Ca -0.03 -3.87 0.18 0.00 -0.16 0.00 0.00 57.90 54.03 1hgc n TYR 35 Cb 0.84 -0.32 1.00 0.00 -0.31 0.00 0.00 39.34 40.55 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 4.91 0.00 0.00 -0.72 0.13 -1.73 -1.40 132.00 133.19 1hgc h PRO 36 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 1hgc h PRO 36 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1hgc h PRO 36 CO 0.60 0.00 -0.06 0.11 -0.23 0.00 0.00 178.00 178.42 1hgc h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -0.35 115.95 115.35 1hgc h TRP 37 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.99 1hgc h TRP 37 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.33 1hgc h TRP 37 CO 0.00 0.06 0.00 0.25 0.09 0.00 0.00 178.44 178.84 1hgc n THR 38 N -3.44 1.08 0.37 0.12 -2.24 -0.53 -2.06 114.28 107.59 1hgc n THR 38 Ca -0.02 0.29 0.13 0.00 -2.27 0.00 0.00 64.05 62.18 1hgc n THR 38 Cb 0.20 -1.11 0.53 0.00 -2.10 0.00 0.00 70.33 67.85 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 -0.68 -0.78 4.20 -1.24 -3.13 115.11 113.48 1hgc h GLN 39 Ca 0.00 0.00 0.20 0.00 0.06 0.00 0.00 58.65 58.91 1hgc h GLN 39 Cb 0.24 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 1hgc h GLN 39 CO 0.00 0.00 0.56 0.07 -0.67 0.00 0.00 178.83 178.79 1hgc h ARG 40 N 0.00 0.00 -0.00 1.46 0.11 -1.61 0.15 114.38 114.48 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 0.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.45 1hgc h ARG 40 CO 0.00 0.00 -0.25 1.19 0.10 0.00 0.00 179.97 181.01 1hgc n PHE 41 N -4.04 0.00 -2.36 4.08 3.72 -1.18 -4.42 117.46 113.26 1hgc n PHE 41 Ca 0.14 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.36 1hgc n PHE 41 Cb 0.82 -0.25 0.02 0.00 -0.94 0.00 0.00 39.48 39.13 1hgc n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1hgc n PHE 42 N -1.17 2.40 0.12 1.38 3.72 0.52 -4.84 117.46 119.59 1hgc n PHE 42 Ca 0.10 -2.44 0.03 0.00 -0.05 0.00 0.00 57.45 55.09 1hgc n PHE 42 Cb 0.32 -0.27 0.40 0.00 -0.94 0.00 0.00 39.48 38.99 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 2.43 0.23 0.00 -1.08 5.08 -1.77 -2.20 114.58 117.27 1hgc h GLU 43 Ca 0.20 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1hgc h GLU 43 Cb 1.32 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1hgc h GLU 43 CO 0.62 0.37 0.00 -1.13 -1.00 0.00 0.00 179.01 177.87 1hgc n SER 44 N -4.28 0.00 -0.01 1.42 3.41 -1.26 -2.67 113.62 110.23 1hgc n SER 44 Ca -0.01 -0.25 0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1hgc n SER 44 Cb 0.26 -0.20 0.50 0.00 -0.26 0.00 0.00 64.21 64.51 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 -1.20 0.00 -1.29 7.33 3.01 -0.83 -5.05 117.46 119.43 1hgc n PHE 45 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.59 1hgc n PHE 45 Cb 0.15 -0.39 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 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 1.48 0.51 3.67 1.37 0.00 -1.09 -4.80 105.19 106.34 1hgc n GLY 46 Ca 0.07 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 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 6.68 -0.00 1.61 2.15 -1.26 -4.85 116.67 116.99 1hgc s ASP 47 Ca 0.00 2.28 0.01 0.00 0.43 0.00 0.00 52.55 55.27 1hgc s ASP 47 Cb 0.00 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.09 1hgc s ASP 47 CO 0.00 -0.89 1.01 0.18 -0.17 0.00 0.00 175.17 175.30 1hgc n LEU 48 N 6.53 0.04 0.12 -1.34 4.77 -1.26 -4.25 117.00 121.62 1hgc n LEU 48 Ca 0.16 -1.04 0.01 0.00 -0.03 0.00 0.00 56.01 55.11 1hgc n LEU 48 Cb 0.42 -0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.83 1hgc n LEU 48 CO 0.62 0.26 0.77 0.77 -1.33 0.00 0.00 177.39 178.47 1hgc h SER 49 N 0.03 0.19 -4.00 -1.43 4.64 -1.92 -3.44 113.55 107.61 1hgc h SER 49 Ca -0.01 -0.06 -0.38 0.00 -0.47 0.00 0.00 61.79 60.88 1hgc h SER 49 Cb 1.41 -0.05 -0.17 0.00 -0.31 0.00 0.00 62.40 63.28 1hgc h SER 49 CO 0.00 0.47 -0.74 -0.89 -0.87 0.00 0.00 176.83 174.81 1hgc s THR 50 N -4.40 1.26 0.23 2.95 2.01 -1.26 -5.01 115.64 111.42 1hgc s THR 50 Ca -0.05 -1.85 -0.07 0.00 0.31 0.00 0.00 61.69 60.04 1hgc s THR 50 Cb 0.14 -1.64 0.22 0.00 0.01 0.00 0.00 72.50 71.23 1hgc s THR 50 CO 0.75 -0.55 1.68 -0.65 -0.69 0.00 0.00 174.62 175.16 1hgc h PRO 51 N 3.22 0.24 -0.03 4.92 0.11 -1.98 0.19 132.00 138.67 1hgc h PRO 51 Ca -0.38 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.60 1hgc h PRO 51 Cb 1.20 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1hgc h PRO 51 CO 0.56 0.16 -0.51 -0.44 -0.21 0.00 0.00 178.00 177.55 1hgc h ASP 52 N 0.24 0.08 -0.68 -2.05 3.32 -1.98 0.25 116.42 115.60 1hgc h ASP 52 Ca 0.39 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.32 1hgc h ASP 52 Cb 0.65 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 1hgc h ASP 52 CO -0.50 0.58 0.13 0.00 -1.72 0.00 0.00 179.24 177.73 1hgc h ALA 53 N 1.42 0.90 0.35 3.45 0.00 -1.09 -2.60 119.26 121.68 1hgc h ALA 53 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1hgc h ALA 53 Cb 0.93 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1hgc h ALA 53 CO 0.07 0.66 -0.17 0.28 0.00 0.00 0.00 179.25 180.09 1hgc h VAL 54 N 1.04 0.00 -0.83 0.00 2.07 -0.42 -2.85 116.25 115.26 1hgc h VAL 54 Ca 0.21 -0.47 0.10 0.00 0.82 0.00 0.00 66.70 67.35 1hgc h VAL 54 Cb 0.42 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.12 1hgc h VAL 54 CO 0.01 0.00 0.47 0.24 0.02 0.00 0.00 177.57 178.31 1hgc h MET 55 N -0.94 0.76 -0.08 1.57 2.07 -0.61 -2.52 114.93 115.19 1hgc h MET 55 Ca -0.05 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 1hgc h MET 55 Cb 0.36 -0.17 0.00 0.00 -1.87 0.00 0.00 31.60 29.91 1hgc h MET 55 CO 0.08 0.50 0.00 0.41 1.07 0.00 0.00 176.91 178.97 1hgc n GLY 56 N -1.32 0.27 3.67 8.32 0.00 -0.98 -4.76 105.19 110.38 1hgc n GLY 56 Ca 0.14 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.86 6.71 0.55 1.61 3.84 -0.95 -4.89 114.94 119.95 1hgc s ASN 57 Ca 0.35 2.23 0.25 0.00 0.21 0.00 0.00 52.86 55.90 1hgc s ASN 57 Cb 0.20 -2.54 1.55 0.00 -0.55 0.00 0.00 41.25 39.91 1hgc s ASN 57 CO 0.31 -0.87 2.17 1.55 -2.79 0.00 0.00 177.10 177.47 1hgc h PRO 58 N 8.88 0.00 0.09 0.43 0.13 -1.90 -0.10 132.00 139.53 1hgc h PRO 58 Ca -0.39 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.49 1hgc h PRO 58 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1hgc h PRO 58 CO 0.94 0.04 -1.14 0.87 -0.23 0.00 0.00 178.00 178.48 1hgc h LYS 59 N 0.00 0.25 -0.05 0.86 1.79 -1.90 -0.57 116.57 116.96 1hgc h LYS 59 Ca -0.00 -0.39 -0.01 0.00 -2.18 0.00 0.00 60.65 58.07 1hgc h LYS 59 Cb 0.10 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1hgc h LYS 59 CO 0.01 1.16 0.01 0.28 -1.08 0.00 0.00 179.45 179.82 1hgc h VAL 60 N 0.09 1.22 -0.43 0.50 2.07 -1.69 0.33 116.25 118.34 1hgc h VAL 60 Ca -0.10 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 1hgc h VAL 60 Cb 1.85 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 33.17 1hgc h VAL 60 CO 0.18 0.18 -0.04 0.11 0.02 0.00 0.00 177.57 178.02 1hgc h LYS 61 N -0.17 0.72 0.06 1.57 1.57 -1.06 -0.65 116.57 118.61 1hgc h LYS 61 Ca 0.02 -0.20 -0.25 0.00 -1.87 0.00 0.00 60.65 58.35 1hgc h LYS 61 Cb 0.28 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1hgc h LYS 61 CO 0.00 0.76 -1.06 0.00 -0.57 0.00 0.00 179.45 178.58 1hgc h ALA 62 N 1.29 0.26 -0.39 3.86 0.00 -1.10 -3.16 119.26 120.01 1hgc h ALA 62 Ca 0.13 -0.78 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 1hgc h ALA 62 Cb 0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1hgc h ALA 62 CO 0.02 0.87 -0.11 1.25 0.00 0.00 0.00 179.25 181.28 1hgc h HIS 63 N 0.17 0.87 -0.84 0.00 -0.00 -0.68 -3.12 115.15 111.55 1hgc h HIS 63 Ca -0.10 -0.19 0.13 0.00 -0.00 0.00 0.00 60.37 60.20 1hgc h HIS 63 Cb 1.73 -0.21 -0.09 0.00 -0.00 0.00 0.00 27.41 28.85 1hgc h HIS 63 CO 0.06 0.91 0.46 0.78 -0.00 0.00 0.00 177.93 180.14 1hgc h GLY 64 N 0.58 1.35 2.00 5.26 0.00 -1.19 0.02 103.07 111.10 1hgc h GLY 64 Ca 0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 1hgc h GLY 64 CO 0.04 0.03 -0.20 0.50 0.00 0.00 0.00 176.54 176.91 1hgc h LYS 65 N 0.69 0.00 0.03 4.80 1.57 -1.50 -2.55 116.57 119.61 1hgc h LYS 65 Ca 0.44 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.14 1hgc h LYS 65 Cb 0.55 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.86 1hgc h LYS 65 CO -0.32 0.20 -0.34 0.87 -0.57 0.00 0.00 179.45 179.29 1hgc h LYS 66 N 0.00 0.18 -0.35 3.15 1.57 -1.00 -2.33 116.57 117.79 1hgc h LYS 66 Ca -0.00 -0.23 0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1hgc h LYS 66 Cb 0.38 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.71 1hgc h LYS 66 CO 0.03 1.02 -0.01 0.28 -0.57 0.00 0.00 179.45 180.19 1hgc h VAL 67 N -0.55 0.73 0.00 0.50 2.07 -1.36 -0.22 116.25 117.42 1hgc h VAL 67 Ca -0.05 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1hgc h VAL 67 Cb 1.16 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1hgc h VAL 67 CO 0.06 0.02 -0.33 0.25 0.02 0.00 0.00 177.57 177.59 1hgc h LEU 68 N 0.09 0.00 -0.34 2.57 7.12 -1.57 0.60 115.31 123.78 1hgc h LEU 68 Ca 0.17 0.00 -0.19 0.00 0.13 0.00 0.00 57.88 58.00 1hgc h LEU 68 Cb 0.24 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.37 1hgc h LEU 68 CO -0.30 0.33 -0.60 1.23 -0.13 0.00 0.00 178.44 178.98 1hgc h GLY 69 N 2.38 0.83 0.90 3.75 0.00 -0.81 0.28 103.07 110.39 1hgc h GLY 69 Ca -0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 47.33 46.23 1hgc h GLY 69 CO 0.04 0.91 -0.17 0.00 0.00 0.00 0.00 176.54 177.32 1hgc h ALA 70 N 0.75 0.39 -0.52 3.60 0.00 -0.61 -2.34 119.26 120.54 1hgc h ALA 70 Ca -0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1hgc h ALA 70 Cb 1.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1hgc h ALA 70 CO 0.12 0.31 0.20 0.35 0.00 0.00 0.00 179.25 180.23 1hgc h PHE 71 N 0.34 0.79 -0.69 0.00 3.04 0.33 -2.84 116.94 117.92 1hgc h PHE 71 Ca 0.06 -0.06 0.07 0.00 3.98 0.00 0.00 57.97 62.01 1hgc h PHE 71 Cb 0.70 -0.24 -0.06 0.00 2.56 0.00 0.00 35.95 38.91 1hgc h PHE 71 CO 0.07 0.66 0.38 1.03 -2.02 0.00 0.00 178.31 178.43 1hgc h SER 72 N 0.70 0.55 -0.28 0.41 0.87 -0.36 -2.17 113.55 113.27 1hgc h SER 72 Ca 0.17 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.65 1hgc h SER 72 Cb 0.21 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1hgc h SER 72 CO -0.01 0.35 -0.22 -0.78 -0.53 0.00 0.00 176.83 175.64 1hgc h ASP 73 N 0.69 0.77 0.49 6.23 3.58 -1.27 -2.17 116.42 124.74 1hgc h ASP 73 Ca 0.32 -0.27 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 1hgc h ASP 73 Cb 0.23 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1hgc h ASP 73 CO -0.20 0.97 -0.22 1.23 -2.88 0.00 0.00 179.24 178.14 1hgc h GLY 74 N 0.97 0.00 1.54 -0.78 0.00 -1.21 -1.27 103.07 102.32 1hgc h GLY 74 Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.49 1hgc h GLY 74 CO 0.06 0.00 0.17 1.41 0.00 0.00 0.00 176.54 178.17 1hgc h LEU 75 N 0.00 0.02 0.00 3.11 3.38 -0.77 0.90 115.31 121.94 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 0.53 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1hgc h LEU 75 CO 0.03 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.57 1hgc n ALA 76 N -2.58 2.31 -2.61 1.53 0.00 -0.48 -3.79 120.51 114.88 1hgc n ALA 76 Ca 0.03 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 1hgc n ALA 76 Cb 0.31 -1.44 0.03 0.00 0.00 0.00 0.00 19.45 18.34 1hgc n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hgc n HIS 77 N -1.37 1.73 0.02 0.00 8.25 0.31 -4.88 115.22 119.28 1hgc n HIS 77 Ca 0.10 -2.77 0.22 0.00 -0.26 0.00 0.00 57.72 55.02 1hgc n HIS 77 Cb 0.25 -0.29 0.72 0.00 1.12 0.00 0.00 29.99 31.79 1hgc n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1hgc h LEU 78 N 2.83 0.00 0.00 2.41 -0.00 -1.60 0.87 115.31 119.82 1hgc h LEU 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1hgc h LEU 78 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 1hgc h LEU 78 CO 0.55 0.00 -0.04 -0.90 -0.00 0.00 0.00 178.44 178.06 1hgc n ASP 79 N -3.81 0.40 -2.83 -0.43 5.68 -1.26 -0.61 116.55 113.70 1hgc n ASP 79 Ca 0.10 0.50 -0.12 0.00 -0.50 0.00 0.00 54.79 54.77 1hgc n ASP 79 Cb 0.73 -0.59 0.02 0.00 -1.14 0.00 0.00 41.12 40.15 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 -1.86 0.81 -0.09 -1.12 4.05 0.30 -4.84 115.26 112.51 1hgc n ASN 80 Ca 0.06 -2.82 -0.08 0.00 0.45 0.00 0.00 54.58 52.19 1hgc n ASN 80 Cb 0.38 -0.32 -0.00 0.00 1.23 0.00 0.00 39.78 41.07 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 2.92 0.21 -0.10 1.20 3.38 -1.67 -2.01 115.31 119.23 1hgc h LEU 81 Ca -0.06 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1hgc h LEU 81 Cb 1.12 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1hgc h LEU 81 CO 0.44 0.16 -0.16 0.11 0.09 0.00 0.00 178.44 179.07 1hgc h LYS 82 N 0.31 -0.21 -0.47 1.13 1.57 -1.91 0.23 116.57 117.22 1hgc h LYS 82 Ca 0.13 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1hgc h LYS 82 Cb 0.06 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1hgc h LYS 82 CO -0.10 -0.14 0.09 0.78 -0.57 0.00 0.00 179.45 179.51 1hgc h GLY 83 N -0.22 0.76 0.76 3.86 0.00 -1.92 -0.17 103.07 106.16 1hgc h GLY 83 Ca 0.09 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 46.99 1hgc h GLY 83 CO -0.23 0.41 -0.16 -0.84 0.00 0.00 0.00 176.54 175.71 1hgc h THR 84 N 0.69 0.63 -0.28 4.70 2.02 -0.52 -3.03 112.91 117.12 1hgc h THR 84 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1hgc h THR 84 Cb 0.29 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1hgc h THR 84 CO 0.00 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.38 1hgc n PHE 85 N -5.29 0.36 -0.18 3.16 3.72 -0.03 -4.58 117.46 114.62 1hgc n PHE 85 Ca -0.07 -0.18 -0.02 0.00 -0.05 0.00 0.00 57.45 57.13 1hgc n PHE 85 Cb 0.21 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.82 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 4.04 0.67 -0.03 4.37 0.00 -0.90 0.62 119.26 128.03 1hgc h ALA 86 Ca 0.00 0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 1hgc h ALA 86 Cb 0.58 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1hgc h ALA 86 CO 0.00 -0.19 -0.82 1.79 0.00 0.00 0.00 179.25 180.04 1hgc h THR 87 N 0.39 1.42 -0.02 0.00 1.35 -1.81 -2.15 112.91 112.10 1hgc h THR 87 Ca 0.26 -2.35 -0.11 0.00 -0.55 0.00 0.00 66.41 63.65 1hgc h THR 87 Cb 0.28 2.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.97 1hgc h THR 87 CO -0.25 0.70 -0.52 -0.07 -0.25 0.00 0.00 175.52 175.12 1hgc h LEU 88 N 0.20 0.06 0.35 3.87 3.38 -1.74 0.51 115.31 121.94 1hgc h LEU 88 Ca -0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1hgc h LEU 88 Cb 1.42 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1hgc h LEU 88 CO 0.13 0.58 -0.17 -1.28 0.09 0.00 0.00 178.44 177.79 1hgc h SER 89 N 0.05 -0.40 -0.54 -0.43 0.87 0.41 -1.88 113.55 111.62 1hgc h SER 89 Ca -0.00 -0.09 0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1hgc h SER 89 Cb 0.94 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.96 1hgc h SER 89 CO 0.07 -0.14 0.30 -0.33 -0.53 0.00 0.00 176.83 176.20 1hgc h GLU 90 N -0.64 0.57 -0.14 2.24 5.08 -1.21 -1.69 114.58 118.79 1hgc h GLU 90 Ca -0.05 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1hgc h GLU 90 Cb 0.46 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 1hgc h GLU 90 CO 0.08 0.38 -0.23 1.25 -1.00 0.00 0.00 179.01 179.49 1hgc h LEU 91 N 0.59 -0.71 -1.89 1.33 5.85 -0.75 0.09 115.31 119.82 1hgc h LEU 91 Ca 0.23 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 59.05 1hgc h LEU 91 Cb 0.09 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1hgc h LEU 91 CO -0.13 -0.28 -0.10 0.45 -0.34 0.00 0.00 178.44 178.03 1hgc h HIS 92 N -0.29 0.00 0.00 1.25 3.86 -1.02 0.15 115.15 119.11 1hgc h HIS 92 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1hgc h HIS 92 Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.91 1hgc h HIS 92 CO -0.34 0.10 0.00 0.00 0.86 0.00 0.00 177.93 178.56 1hgc h ASP 94 N 0.00 0.75 0.00 0.00 3.32 -1.07 -2.85 116.42 116.57 1hgc h ASP 94 Ca 0.00 -0.08 -0.15 0.00 0.02 0.00 0.00 57.03 56.82 1hgc h ASP 94 Cb 0.00 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1hgc h ASP 94 CO 0.00 0.66 -1.54 1.17 -1.72 0.00 0.00 179.24 177.81 1hgc n LYS 95 N -4.34 0.23 0.09 3.56 0.00 0.42 -4.74 118.16 113.37 1hgc n LYS 95 Ca 0.05 0.06 0.11 0.00 0.00 0.00 0.00 58.31 58.53 1hgc n LYS 95 Cb 0.15 -1.13 -0.02 0.00 0.00 0.00 0.00 35.03 34.02 1hgc n LYS 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1hgc n LEU 96 N -2.89 0.77 -3.34 3.14 4.77 -0.49 -4.98 117.00 113.98 1hgc n LEU 96 Ca -0.17 0.30 -0.20 0.00 -0.03 0.00 0.00 56.01 55.90 1hgc n LEU 96 Cb 0.67 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.79 1hgc n LEU 96 CO 0.08 -0.15 0.19 1.41 -1.33 0.00 0.00 177.39 177.59 1hgc n HIS 97 N -2.65 -2.50 -3.12 -1.77 8.25 -0.59 -4.98 115.22 107.85 1hgc n HIS 97 Ca -0.01 0.92 -0.40 0.00 -0.26 0.00 0.00 57.72 57.98 1hgc n HIS 97 Cb 0.57 -4.79 -0.06 0.00 1.12 0.00 0.00 29.99 26.84 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 -3.31 5.04 -0.01 1.59 1.01 -0.19 -5.02 120.40 119.51 1hgc s VAL 98 Ca 0.39 1.22 -0.30 0.00 0.00 0.00 0.00 61.98 63.28 1hgc s VAL 98 Cb -0.17 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 1hgc s VAL 98 CO 0.68 0.15 1.60 -0.62 0.00 0.00 0.00 175.10 176.92 1hgc s ASP 99 N 1.07 6.68 0.66 3.32 2.15 -1.26 -4.70 116.67 124.59 1hgc s ASP 99 Ca 0.30 2.29 0.33 0.00 0.43 0.00 0.00 52.55 55.90 1hgc s ASP 99 Cb -0.16 -2.55 1.79 0.00 -0.30 0.00 0.00 42.92 41.70 1hgc s ASP 99 CO 0.12 -0.87 2.01 -0.65 -0.17 0.00 0.00 175.17 175.60 1hgc h PRO 100 N 8.84 0.00 0.00 4.34 0.11 -1.96 0.19 132.00 143.52 1hgc h PRO 100 Ca -0.40 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 1hgc h PRO 100 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1hgc h PRO 100 CO 0.94 0.00 -0.02 1.49 -0.21 0.00 0.00 178.00 180.20 1hgc h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -1.96 -0.78 114.58 117.45 1hgc h GLU 101 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 1hgc h GLU 101 Cb 0.55 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 1hgc h GLU 101 CO -0.00 0.02 -0.28 -0.91 -1.18 0.00 0.00 179.01 176.66 1hgc h ASN 102 N 0.00 0.00 -0.42 1.04 4.21 -1.33 -2.26 115.58 116.82 1hgc h ASN 102 Ca -0.00 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.36 1hgc h ASN 102 Cb 0.09 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.28 1hgc h ASN 102 CO 0.00 0.28 -0.31 -0.26 -1.29 0.00 0.00 177.43 175.85 1hgc h PHE 103 N 0.00 1.13 -0.24 1.19 0.04 -1.32 -1.45 116.94 116.29 1hgc h PHE 103 Ca -0.00 -0.31 -0.20 0.00 2.80 0.00 0.00 57.97 60.25 1hgc h PHE 103 Cb 0.52 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1hgc h PHE 103 CO 0.00 1.14 -0.64 0.00 -0.60 0.00 0.00 178.31 178.21 1hgc h ARG 104 N 0.80 0.86 -0.28 1.51 3.08 -1.53 -1.95 114.38 116.88 1hgc h ARG 104 Ca 0.08 -0.60 0.02 0.00 0.07 0.00 0.00 59.98 59.55 1hgc h ARG 104 Cb 0.90 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 1hgc h ARG 104 CO 0.08 1.23 0.14 -0.07 -1.07 0.00 0.00 179.97 180.27 1hgc h LEU 105 N 0.63 0.20 -0.67 3.04 3.38 -1.31 -2.51 115.31 118.07 1hgc h LEU 105 Ca -0.01 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1hgc h LEU 105 Cb 1.26 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1hgc h LEU 105 CO 0.14 0.15 0.20 0.25 0.09 0.00 0.00 178.44 179.27 1hgc h LEU 106 N 0.29 0.99 -0.26 1.67 5.85 -1.24 -2.52 115.31 120.09 1hgc h LEU 106 Ca 0.11 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.68 1hgc h LEU 106 Cb 0.04 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.74 1hgc h LEU 106 CO -0.08 0.94 -0.19 1.23 -0.34 0.00 0.00 178.44 180.00 1hgc h GLY 107 N 0.99 -0.03 0.96 3.75 0.00 -0.93 0.18 103.07 107.98 1hgc h GLY 107 Ca 0.22 0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 1hgc h GLY 107 CO -0.00 -0.18 0.20 3.43 0.00 0.00 0.00 176.54 179.98 1hgc h ASN 108 N -0.18 0.55 -0.82 0.19 2.35 -1.40 -0.08 115.58 116.19 1hgc h ASN 108 Ca 0.14 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1hgc h ASN 108 Cb 0.40 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1hgc h ASN 108 CO -0.37 0.52 0.38 0.58 -1.65 0.00 0.00 177.43 176.89 1hgc h VAL 109 N 0.53 1.26 0.36 2.81 2.07 -1.11 -0.85 116.25 121.33 1hgc h VAL 109 Ca 0.14 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 1hgc h VAL 109 Cb 0.12 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1hgc h VAL 109 CO -0.02 0.32 -0.17 0.25 0.02 0.00 0.00 177.57 177.96 1hgc h LEU 110 N 1.18 -0.41 -0.57 2.57 5.85 -0.22 -0.21 115.31 123.50 1hgc h LEU 110 Ca 0.28 -0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.07 1hgc h LEU 110 Cb 0.14 0.11 -0.11 0.00 0.37 0.00 0.00 40.66 41.17 1hgc h LEU 110 CO -0.03 -0.22 -0.18 0.58 -0.34 0.00 0.00 178.44 178.24 1hgc h VAL 111 N -0.58 0.36 -0.36 1.05 2.07 -0.67 0.29 116.25 118.41 1hgc h VAL 111 Ca -0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1hgc h VAL 111 Cb 0.43 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1hgc h VAL 111 CO 0.08 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.85 1hgc h VAL 113 N 0.50 1.27 -0.19 0.00 2.07 0.13 -2.12 116.25 117.92 1hgc h VAL 113 Ca 0.13 -1.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 1hgc h VAL 113 Cb 0.05 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1hgc h VAL 113 CO -0.02 0.52 0.07 -0.07 0.02 0.00 0.00 177.57 178.09 1hgc h LEU 114 N 0.74 0.26 0.39 2.57 3.38 -0.44 -2.08 115.31 120.14 1hgc h LEU 114 Ca 0.06 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1hgc h LEU 114 Cb 0.98 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1hgc h LEU 114 CO 0.09 0.36 -0.41 0.00 0.09 0.00 0.00 178.44 178.57 1hgc h ALA 115 N 0.91 -0.90 -1.08 1.53 0.00 -1.29 0.37 119.26 118.80 1hgc h ALA 115 Ca 0.06 -0.14 0.35 0.00 0.00 0.00 0.00 54.91 55.18 1hgc h ALA 115 Cb 0.18 0.60 -0.14 0.00 0.00 0.00 0.00 17.79 18.43 1hgc h ALA 115 CO -0.00 -1.04 0.64 1.25 0.00 0.00 0.00 179.25 180.10 1hgc h HIS 116 N -0.83 0.80 0.13 0.00 -0.00 -1.26 0.29 115.15 114.28 1hgc h HIS 116 Ca -0.03 0.03 -0.32 0.00 -0.00 0.00 0.00 60.37 60.05 1hgc h HIS 116 Cb 0.74 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 27.94 1hgc h HIS 116 CO -0.23 -0.18 -1.59 1.25 -0.00 0.00 0.00 177.93 177.17 1hgc h HIS 117 N 0.25 0.50 0.00 5.26 6.17 -0.75 -3.39 115.15 123.19 1hgc h HIS 117 Ca 0.75 -0.36 -0.06 0.00 0.71 0.00 0.00 60.37 61.40 1hgc h HIS 117 Cb 1.92 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 31.82 1hgc h HIS 117 CO -0.01 1.44 -1.54 1.19 0.71 0.00 0.00 177.93 179.73 1hgc n PHE 118 N -3.47 0.57 -2.91 5.26 3.72 0.12 -5.04 117.46 115.71 1hgc n PHE 118 Ca -0.18 0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1hgc n PHE 118 Cb 1.05 -0.84 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 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 1.30 3.13 0.41 1.37 0.00 0.92 -2.43 105.19 109.89 1hgc n GLY 119 Ca -0.06 -0.28 0.29 0.00 0.00 0.00 0.00 46.02 45.97 1hgc n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1hgc h LYS 120 N 0.00 0.24 0.00 1.61 1.63 -1.96 0.49 116.57 118.57 1hgc h LYS 120 Ca 0.00 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1hgc h LYS 120 Cb 0.00 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1hgc h LYS 120 CO 0.00 0.16 -0.04 1.49 -3.45 0.00 0.00 179.45 177.61 1hgc h GLU 121 N 0.25 0.00 -4.46 1.90 4.81 -1.87 -3.26 114.58 111.95 1hgc h GLU 121 Ca 0.72 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 59.21 1hgc h GLU 121 Cb 1.98 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 31.18 1hgc h GLU 121 CO -0.43 0.04 1.39 0.34 -0.73 0.00 0.00 179.01 179.63 1hgc n PHE 122 N -4.12 4.66 -2.37 0.92 7.35 0.17 -4.93 117.46 119.14 1hgc n PHE 122 Ca -0.03 -3.30 -0.31 0.00 -0.76 0.00 0.00 57.45 53.04 1hgc n PHE 122 Cb 0.13 -2.11 -0.02 0.00 0.35 0.00 0.00 39.48 37.83 1hgc n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1hgc s THR 123 N 1.13 4.62 0.18 -2.13 -4.23 -1.23 -4.73 115.64 109.24 1hgc s THR 123 Ca 0.41 1.03 -0.16 0.00 -1.18 0.00 0.00 61.69 61.80 1hgc s THR 123 Cb -0.01 -3.76 0.17 0.00 1.34 0.00 0.00 72.50 70.24 1hgc s THR 123 CO -0.00 -0.76 1.28 -2.65 -0.54 0.00 0.00 174.62 171.94 1hgc n PRO 124 N -1.79 -0.21 0.21 3.99 -0.02 -1.26 0.31 135.00 136.22 1hgc n PRO 124 Ca 0.06 1.26 0.05 0.00 -2.02 0.00 0.00 63.50 62.85 1hgc n PRO 124 Cb 0.54 -1.87 0.45 0.00 -0.02 0.00 0.00 33.50 32.60 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 0.00 -0.10 0.52 0.11 -1.99 -0.93 132.00 129.61 1hgc h PRO 125 Ca 0.27 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.17 1hgc h PRO 125 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1hgc h PRO 125 CO -0.81 0.29 -0.78 0.28 -0.21 0.00 0.00 178.00 176.76 1hgc h VAL 126 N 0.00 1.33 -0.12 3.15 2.07 0.44 -3.07 116.25 120.05 1hgc h VAL 126 Ca -0.00 -2.09 -0.01 0.00 0.82 0.00 0.00 66.70 65.41 1hgc h VAL 126 Cb 0.55 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1hgc h VAL 126 CO 0.04 0.65 0.02 -0.61 0.02 0.00 0.00 177.57 177.68 1hgc h GLN 127 N 0.40 0.20 -0.97 1.57 4.15 -0.22 -1.94 115.11 118.29 1hgc h GLN 127 Ca -0.05 -0.05 0.19 0.00 0.77 0.00 0.00 58.65 59.50 1hgc h GLN 127 Cb 1.39 -0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.97 1hgc h GLN 127 CO 0.15 0.40 0.61 0.00 -1.93 0.00 0.00 178.83 178.06 1hgc h ALA 128 N 0.79 1.84 -0.12 3.38 0.00 -1.18 0.52 119.26 124.50 1hgc h ALA 128 Ca 0.04 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1hgc h ALA 128 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1hgc h ALA 128 CO 0.00 -0.17 -0.36 0.00 0.00 0.00 0.00 179.25 178.72 1hgc h ALA 129 N 1.62 0.21 -0.51 0.00 0.00 -1.43 -2.86 119.26 116.29 1hgc h ALA 129 Ca 0.53 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1hgc h ALA 129 Cb 0.95 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1hgc h ALA 129 CO -0.30 0.28 -0.00 1.88 0.00 0.00 0.00 179.25 181.11 1hgc h TYR 130 N 0.05 0.92 -0.92 0.00 0.05 -0.30 -1.10 116.97 115.68 1hgc h TYR 130 Ca -0.01 -0.14 0.13 0.00 0.05 0.00 0.00 58.73 58.76 1hgc h TYR 130 Cb 0.98 -0.25 -0.09 0.00 1.01 0.00 0.00 36.73 38.39 1hgc h TYR 130 CO 0.11 0.84 0.53 1.96 -1.05 0.00 0.00 178.16 180.56 1hgc h GLN 131 N 0.80 0.78 -0.01 4.88 1.08 -0.01 0.20 115.11 122.83 1hgc h GLN 131 Ca 0.15 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1hgc h GLN 131 Cb 0.48 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1hgc h GLN 131 CO 0.02 0.52 0.00 0.87 -0.95 0.00 0.00 178.83 179.29 1hgc h LYS 132 N 0.81 0.01 0.63 1.46 1.57 -1.18 -2.44 116.57 117.43 1hgc h LYS 132 Ca 0.48 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.23 1hgc h LYS 132 Cb 0.57 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1hgc h LYS 132 CO -0.31 0.21 -0.41 0.28 -0.57 0.00 0.00 179.45 178.66 1hgc h VAL 133 N -0.18 0.17 0.00 0.50 2.07 0.05 -1.83 116.25 117.03 1hgc h VAL 133 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1hgc h VAL 133 Cb 0.20 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1hgc h VAL 133 CO -0.00 0.00 -0.00 -0.37 0.02 0.00 0.00 177.57 177.22 1hgc h VAL 134 N -0.99 0.91 -0.21 2.57 -1.51 -0.70 -1.40 116.25 114.92 1hgc h VAL 134 Ca -0.08 -0.01 -0.19 0.00 -1.23 0.00 0.00 66.70 65.20 1hgc h VAL 134 Cb 0.81 1.00 0.01 0.00 -2.13 0.00 0.00 31.29 30.98 1hgc h VAL 134 CO 0.07 0.00 -0.61 0.00 -1.23 0.00 0.00 177.57 175.79 1hgc h ALA 135 N 2.00 0.35 -0.43 5.19 0.00 -1.26 -1.98 119.26 123.13 1hgc h ALA 135 Ca -0.00 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.38 1hgc h ALA 135 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1hgc h ALA 135 CO 0.00 0.61 0.27 0.78 0.00 0.00 0.00 179.25 180.91 1hgc h GLY 136 N 0.52 0.60 0.95 0.00 0.00 -0.42 -1.65 103.07 103.07 1hgc h GLY 136 Ca -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1hgc h GLY 136 CO 0.13 0.20 0.14 -2.08 0.00 0.00 0.00 176.54 174.93 1hgc h VAL 137 N 0.55 1.22 -0.92 4.60 2.07 -1.28 0.18 116.25 122.67 1hgc h VAL 137 Ca 0.16 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1hgc h VAL 137 Cb -0.04 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1hgc h VAL 137 CO -0.05 0.25 0.57 0.00 0.02 0.00 0.00 177.57 178.36 1hgc h ALA 138 N 0.99 1.27 -0.08 1.67 0.00 -1.14 0.11 119.26 122.08 1hgc h ALA 138 Ca 0.14 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1hgc h ALA 138 Cb 0.25 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1hgc h ALA 138 CO -0.01 0.64 -0.29 -0.91 0.00 0.00 0.00 179.25 178.68 1hgc h ASN 139 N 1.27 0.39 -0.66 0.00 2.35 -1.01 -1.83 115.58 116.09 1hgc h ASN 139 Ca 0.33 -0.63 -0.02 0.00 -0.55 0.00 0.00 56.30 55.44 1hgc h ASN 139 Cb -0.08 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 1hgc h ASN 139 CO -0.07 0.95 0.36 0.00 -1.65 0.00 0.00 177.43 177.03 1hgc h ALA 140 N 0.45 1.36 -0.01 -0.83 0.00 -0.49 -0.66 119.26 119.08 1hgc h ALA 140 Ca -0.01 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1hgc h ALA 140 Cb 0.93 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1hgc h ALA 140 CO 0.06 0.52 -0.49 -0.07 0.00 0.00 0.00 179.25 179.27 1hgc h LEU 141 N 0.95 0.03 0.00 0.00 3.38 -0.92 -3.06 115.31 115.69 1hgc h LEU 141 Ca 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1hgc h LEU 141 Cb 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1hgc h LEU 141 CO -0.04 0.52 -0.68 0.00 0.09 0.00 0.00 178.44 178.33 1hgc n ALA 142 N -2.45 3.37 -0.28 1.53 0.00 -0.69 -4.34 120.51 117.65 1hgc n ALA 142 Ca -0.02 -0.34 0.09 0.00 0.00 0.00 0.00 53.44 53.18 1hgc n ALA 142 Cb 0.51 -1.09 0.23 0.00 0.00 0.00 0.00 19.45 19.11 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 0.00 0.28 -0.43 0.00 6.17 -1.02 -2.15 115.15 117.99 1hgc h HIS 143 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.13 1hgc h HIS 143 Cb 0.63 0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.56 1hgc h HIS 143 CO 0.00 -0.16 0.00 1.63 0.71 0.00 0.00 177.93 180.11 1hgc n LYS 144 N -5.21 2.04 -2.61 5.26 4.76 -1.26 -4.96 118.16 116.18 1hgc n LYS 144 Ca 0.18 -1.61 -0.35 0.00 -2.87 0.00 0.00 58.31 53.65 1hgc n LYS 144 Cb 0.57 -1.36 -0.04 0.00 -1.84 0.00 0.00 35.03 32.36 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 -1.42 3.19 0.00 2.13 1.51 -0.81 -4.72 117.35 117.23 1hgc s TYR 145 Ca 0.31 1.62 0.00 0.00 -1.01 0.00 0.00 57.07 57.99 1hgc s TYR 145 Cb 0.16 -3.04 0.00 0.00 -0.11 0.00 0.00 41.96 38.97 1hgc s TYR 145 CO 0.21 -0.56 0.00 -2.39 -1.11 0.00 0.00 175.55 171.70