#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgc n LEU 6 N 0.00 0.54 -0.32 -5.58 7.99 -1.26 -3.89 117.00 114.49 2hgc n LEU 6 Ca 0.00 0.42 0.07 0.00 -0.01 0.00 0.00 56.01 56.49 2hgc n LEU 6 Cb 0.00 -0.33 0.23 0.00 -0.11 0.00 0.00 43.42 43.21 2hgc n LEU 6 CO 0.00 -0.07 1.15 -0.09 -1.51 0.00 0.00 177.39 176.87 2hgc h ARG 7 N 0.00 0.74 -0.63 3.23 2.43 -1.98 0.30 114.38 118.47 2hgc h ARG 7 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2hgc h ARG 7 Cb 0.65 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2hgc h ARG 7 CO 0.00 0.49 0.41 -0.92 -1.51 0.00 0.00 179.97 178.44 2hgc h TYR 8 N 0.76 0.80 -0.09 2.20 3.20 -1.90 -0.78 116.97 121.15 2hgc h TYR 8 Ca 0.47 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.31 2hgc h TYR 8 Cb 0.58 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 2hgc h TYR 8 CO -0.05 0.51 -0.10 0.00 -1.64 0.00 0.00 178.16 176.88 2hgc h ALA 9 N 1.22 0.14 -0.46 1.82 0.00 -1.23 -2.18 119.26 118.57 2hgc h ALA 9 Ca 0.23 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2hgc h ALA 9 Cb -0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2hgc h ALA 9 CO -0.05 -0.02 0.28 0.82 0.00 0.00 0.00 179.25 180.27 2hgc h ILE 10 N -0.19 1.05 -0.87 0.00 2.04 -0.40 0.43 117.51 119.58 2hgc h ILE 10 Ca 0.01 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.69 2hgc h ILE 10 Cb 0.62 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 2hgc h ILE 10 CO 0.02 0.10 0.57 -0.07 0.00 0.00 0.00 178.15 178.78 2hgc h LEU 11 N 0.55 0.99 -0.20 1.44 3.38 -1.17 -0.76 115.31 119.55 2hgc h LEU 11 Ca 0.18 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2hgc h LEU 11 Cb 0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2hgc h LEU 11 CO -0.08 0.72 -0.08 0.50 0.09 0.00 0.00 178.44 179.58 2hgc h LYS 12 N 1.17 0.41 -0.94 1.13 3.64 -0.64 0.13 116.57 121.47 2hgc h LYS 12 Ca 0.32 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2hgc h LYS 12 Cb -0.13 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.62 2hgc h LYS 12 CO -0.07 0.69 0.62 0.93 -2.27 0.00 0.00 179.45 179.35 2hgc h GLU 13 N 0.11 1.16 0.00 1.90 3.07 0.07 0.49 114.58 121.39 2hgc h GLU 13 Ca 0.05 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2hgc h GLU 13 Cb 0.55 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2hgc h GLU 13 CO 0.03 0.77 -0.00 0.82 -1.40 0.00 0.00 179.01 179.22 2hgc h ILE 14 N 1.20 1.39 0.03 3.13 2.04 -1.03 0.25 117.51 124.52 2hgc h ILE 14 Ca 0.37 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 2hgc h ILE 14 Cb -0.00 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 2hgc h ILE 14 CO -0.11 0.30 -0.01 0.15 0.00 0.00 0.00 178.15 178.48 2hgc h PHE 15 N -0.51 -0.03 0.12 1.37 3.57 -0.27 -0.60 116.94 120.59 2hgc h PHE 15 Ca -0.00 -0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.21 2hgc h PHE 15 Cb 0.50 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 2hgc h PHE 15 CO 0.10 0.11 -1.40 0.93 -2.23 0.00 0.00 178.31 175.82 2hgc h GLU 16 N -0.17 0.25 0.00 1.11 4.39 -0.16 -3.31 114.58 116.69 2hgc h GLU 16 Ca -0.00 -0.42 -0.06 0.00 0.34 0.00 0.00 59.36 59.22 2hgc h GLU 16 Cb 0.16 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2hgc h GLU 16 CO 0.01 1.14 -0.28 0.78 -1.16 0.00 0.00 179.01 179.49 2hgc h GLY 17 N 1.72 0.00 0.00 -3.84 0.00 -0.95 -3.46 103.07 96.54 2hgc h GLY 17 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2hgc h GLY 17 CO 0.18 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.71 2hgc n ASN 18 N -3.36 -2.55 -1.28 0.19 4.05 -0.24 -4.81 115.26 107.26 2hgc n ASN 18 Ca 0.01 0.00 0.15 0.00 0.45 0.00 0.00 54.58 55.18 2hgc n ASN 18 Cb 0.50 -1.50 -0.07 0.00 1.23 0.00 0.00 39.78 39.94 2hgc n ASN 18 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 2hgc n THR 19 N -2.34 -0.44 -2.04 -0.44 -2.24 -1.23 -4.53 114.28 101.02 2hgc n THR 19 Ca 0.00 0.62 -0.24 0.00 -2.27 0.00 0.00 64.05 62.16 2hgc n THR 19 Cb 0.13 -1.01 0.15 0.00 -2.10 0.00 0.00 70.33 67.50 2hgc n THR 19 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2hgc n PRO 20 N -4.02 -0.77 -3.67 -0.78 -0.04 -1.23 -4.15 135.00 120.34 2hgc n PRO 20 Ca -0.06 -1.97 -0.14 0.00 -0.04 0.00 0.00 63.50 61.29 2hgc n PRO 20 Cb 0.60 -0.99 -0.08 0.00 -0.04 0.00 0.00 33.50 32.99 2hgc n PRO 20 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2hgc s LEU 21 N 0.00 -0.02 0.71 1.53 2.34 -1.26 -5.03 118.68 116.95 2hgc s LEU 21 Ca 0.63 0.86 -0.07 0.00 0.06 0.00 0.00 54.13 55.61 2hgc s LEU 21 Cb -0.02 1.88 0.06 0.00 -0.56 0.00 0.00 46.19 47.55 2hgc s LEU 21 CO 0.43 -0.31 1.02 -0.44 -1.06 0.00 0.00 176.35 176.00 2hgc s SER 22 N -0.24 4.77 0.11 1.48 0.01 -1.26 -4.92 113.70 113.65 2hgc s SER 22 Ca -0.04 0.45 -0.19 0.00 1.31 0.00 0.00 55.95 57.48 2hgc s SER 22 Cb -0.03 -1.08 -0.06 0.00 0.21 0.00 0.00 66.02 65.05 2hgc s SER 22 CO 0.03 -1.63 1.72 1.05 0.41 0.00 0.00 173.24 174.82 2hgc h GLU 23 N -0.63 0.33 0.00 12.44 4.11 -1.94 -2.32 114.58 126.57 2hgc h GLU 23 Ca -0.44 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2hgc h GLU 23 Cb 1.31 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2hgc h GLU 23 CO 0.60 0.29 0.00 0.09 0.07 0.00 0.00 179.01 180.06 2hgc n ASN 24 N -4.87 0.00 -0.03 3.06 5.03 -1.25 -1.77 115.26 115.44 2hgc n ASN 24 Ca -0.03 0.41 -0.15 0.00 0.87 0.00 0.00 54.58 55.68 2hgc n ASN 24 Cb 0.07 -0.46 -0.11 0.00 -1.02 0.00 0.00 39.78 38.26 2hgc n ASN 24 CO 0.00 0.00 0.00 -0.78 -1.83 0.00 0.00 177.26 174.65 2hgc h ASP 25 N 0.00 0.25 0.07 6.41 3.58 -1.74 -3.31 116.42 121.69 2hgc h ASP 25 Ca 0.00 -0.73 -0.24 0.00 0.42 0.00 0.00 57.03 56.48 2hgc h ASP 25 Cb 0.29 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.28 2hgc h ASP 25 CO 0.00 0.94 -0.93 -0.29 -2.88 0.00 0.00 179.24 176.07 2hgc h ILE 26 N -0.42 1.32 0.00 2.25 -0.00 -1.50 -3.48 117.51 115.67 2hgc h ILE 26 Ca -0.03 -2.22 0.00 0.00 -0.00 0.00 0.00 64.86 62.61 2hgc h ILE 26 Cb 0.96 2.27 0.00 0.00 -0.00 0.00 0.00 36.82 40.05 2hgc h ILE 26 CO 0.05 0.68 0.00 0.61 -0.00 0.00 0.00 178.15 179.49 2hgc n GLY 27 N 0.92 1.54 3.97 8.18 0.00 -0.73 -5.04 105.19 114.03 2hgc n GLY 27 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 2hgc n GLY 27 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hgc s VAL 28 N -0.95 4.73 0.71 1.61 -7.23 -1.17 -4.89 120.40 113.21 2hgc s VAL 28 Ca 0.00 -0.84 -0.11 0.00 -1.81 0.00 0.00 61.98 59.23 2hgc s VAL 28 Cb 0.00 -3.68 0.03 0.00 0.56 0.00 0.00 36.38 33.28 2hgc s VAL 28 CO 0.00 -0.32 1.08 0.42 -0.31 0.00 0.00 175.10 175.97 2hgc s THR 29 N -2.17 3.20 0.50 5.32 -4.23 -1.26 -3.86 115.64 113.14 2hgc s THR 29 Ca 0.40 0.31 0.26 0.00 -1.18 0.00 0.00 61.69 61.48 2hgc s THR 29 Cb -0.09 -3.37 0.44 0.00 1.34 0.00 0.00 72.50 70.81 2hgc s THR 29 CO 0.32 -0.47 1.90 1.05 -0.54 0.00 0.00 174.62 176.88 2hgc h GLU 30 N -0.66 0.12 0.33 3.99 4.11 -1.97 0.24 114.58 120.74 2hgc h GLU 30 Ca -0.45 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 58.96 2hgc h GLU 30 Cb 1.27 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 2hgc h GLU 30 CO 0.64 0.08 -0.19 -0.44 0.07 0.00 0.00 179.01 179.17 2hgc h ASP 31 N 0.13 -0.47 0.15 3.06 3.32 -1.99 0.42 116.42 121.04 2hgc h ASP 31 Ca 0.40 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.34 2hgc h ASP 31 Cb 1.40 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 41.08 2hgc h ASP 31 CO -0.06 -0.31 -0.52 1.56 -1.72 0.00 0.00 179.24 178.20 2hgc h GLN 32 N -0.49 0.41 0.13 3.56 7.50 -1.59 -2.72 115.11 121.90 2hgc h GLN 32 Ca -0.04 -0.24 -0.01 0.00 0.50 0.00 0.00 58.65 58.86 2hgc h GLN 32 Cb 0.40 0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.95 2hgc h GLN 32 CO 0.05 0.83 -0.06 0.35 -1.50 0.00 0.00 178.83 178.49 2hgc h PHE 33 N 0.32 -0.16 0.26 2.96 3.57 -0.39 -1.98 116.94 121.53 2hgc h PHE 33 Ca 0.01 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2hgc h PHE 33 Cb 1.02 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 2hgc h PHE 33 CO 0.03 0.22 -0.23 0.22 -2.23 0.00 0.00 178.31 176.33 2hgc h ASP 34 N -0.57 -0.59 -0.24 0.41 3.58 -0.21 -0.13 116.42 118.67 2hgc h ASP 34 Ca -0.02 0.05 0.05 0.00 0.42 0.00 0.00 57.03 57.54 2hgc h ASP 34 Cb 0.45 0.20 -0.05 0.00 1.72 0.00 0.00 39.33 41.64 2hgc h ASP 34 CO 0.03 -0.34 -0.11 -0.78 -2.88 0.00 0.00 179.24 175.16 2hgc h ASP 35 N -0.51 -0.36 0.29 2.28 3.58 -1.55 -0.97 116.42 119.17 2hgc h ASP 35 Ca -0.01 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 2hgc h ASP 35 Cb 0.46 0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2hgc h ASP 35 CO -0.03 -0.14 -0.14 0.00 -2.88 0.00 0.00 179.24 176.05 2hgc h ALA 36 N 1.14 -0.39 -0.50 -0.78 0.00 -1.16 -0.11 119.26 117.47 2hgc h ALA 36 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2hgc h ALA 36 Cb 0.26 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2hgc h ALA 36 CO -0.29 -0.67 0.31 0.28 0.00 0.00 0.00 179.25 178.88 2hgc h VAL 37 N -0.49 1.14 -0.59 0.00 2.07 -0.85 0.30 116.25 117.83 2hgc h VAL 37 Ca -0.04 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 2hgc h VAL 37 Cb 0.37 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2hgc h VAL 37 CO 0.07 0.14 0.03 0.78 0.02 0.00 0.00 177.57 178.61 2hgc h ASN 38 N 0.67 0.99 -0.19 0.57 2.35 -1.15 -1.95 115.58 116.86 2hgc h ASN 38 Ca 0.18 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2hgc h ASN 38 Cb -0.04 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 2hgc h ASN 38 CO -0.04 1.04 0.11 0.15 -1.65 0.00 0.00 177.43 177.04 2hgc h PHE 39 N 0.91 0.27 -0.64 1.19 3.57 -0.49 -1.71 116.94 120.03 2hgc h PHE 39 Ca 0.17 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.73 2hgc h PHE 39 Cb 0.51 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 2hgc h PHE 39 CO 0.04 0.25 0.34 -0.07 -2.23 0.00 0.00 178.31 176.63 2hgc h LEU 40 N 0.21 0.47 -0.62 0.59 3.38 -0.20 -0.10 115.31 119.05 2hgc h LEU 40 Ca 0.07 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 2hgc h LEU 40 Cb 0.07 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2hgc h LEU 40 CO -0.01 0.30 -0.15 0.50 0.09 0.00 0.00 178.44 179.17 2hgc h LYS 41 N 0.61 0.94 -0.20 1.13 3.64 -1.20 0.33 116.57 121.83 2hgc h LYS 41 Ca 0.30 -0.36 -0.21 0.00 -1.27 0.00 0.00 60.65 59.11 2hgc h LYS 41 Cb 0.23 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2hgc h LYS 41 CO -0.20 1.02 -0.70 -0.09 -2.27 0.00 0.00 179.45 177.20 2hgc h ARG 42 N 0.83 0.82 0.00 1.90 2.43 -0.58 -3.19 114.38 116.60 2hgc h ARG 42 Ca 0.12 -0.62 -0.15 0.00 -0.81 0.00 0.00 59.98 58.53 2hgc h ARG 42 Cb 0.69 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 2hgc h ARG 42 CO 0.05 1.24 -0.70 0.93 -1.51 0.00 0.00 179.97 179.98 2hgc h GLU 43 N 0.59 0.00 0.00 0.20 4.39 -1.05 -3.48 114.58 115.23 2hgc h GLU 43 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2hgc h GLU 43 Cb 1.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 2hgc h GLU 43 CO 0.15 0.70 0.00 0.41 -1.16 0.00 0.00 179.01 179.11 2hgc n GLY 44 N 1.05 1.71 0.13 -3.84 0.00 -0.75 -5.05 105.19 98.44 2hgc n GLY 44 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 2hgc n GLY 44 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hgc n TYR 45 N -0.23 1.15 -4.01 1.61 4.01 0.11 -4.54 117.16 115.28 2hgc n TYR 45 Ca 0.00 0.33 -0.08 0.00 -0.16 0.00 0.00 57.90 57.98 2hgc n TYR 45 Cb 0.00 -1.14 -0.10 0.00 -0.31 0.00 0.00 39.34 37.79 2hgc n TYR 45 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2hgc s ILE 46 N -2.49 0.16 0.32 -0.72 -5.25 -1.19 -1.36 121.20 110.68 2hgc s ILE 46 Ca -0.25 -1.28 0.03 0.00 -0.99 0.00 0.00 60.65 58.16 2hgc s ILE 46 Cb 0.06 -0.88 -0.04 0.00 2.95 0.00 0.00 42.46 44.56 2hgc s ILE 46 CO 0.70 -0.70 0.13 0.27 -1.79 0.00 0.00 174.94 173.55 2hgc s ILE 47 N -2.64 0.52 0.00 8.37 -0.00 -0.34 -3.88 121.20 123.23 2hgc s ILE 47 Ca -0.05 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.60 2hgc s ILE 47 Cb -0.01 -2.54 0.00 0.00 -0.00 0.00 0.00 42.46 39.91 2hgc s ILE 47 CO -0.05 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.50 2hgc n GLY 48 N -0.64 0.77 3.65 6.27 0.00 -1.26 -0.45 105.19 113.53 2hgc n GLY 48 Ca -0.01 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2hgc n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hgc s VAL 49 N -2.00 4.61 -0.19 1.61 1.01 -1.26 -2.84 120.40 121.34 2hgc s VAL 49 Ca 0.00 1.92 -0.19 0.00 0.00 0.00 0.00 61.98 63.71 2hgc s VAL 49 Cb 0.00 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 2hgc s VAL 49 CO 0.00 -0.25 0.55 -2.28 0.00 0.00 0.00 175.10 173.12 2hgc s HIS 50 N 3.34 3.39 0.12 5.22 2.46 -1.25 -4.99 115.29 123.59 2hgc s HIS 50 Ca 0.45 0.84 0.03 0.00 0.47 0.00 0.00 55.06 56.85 2hgc s HIS 50 Cb -0.15 -2.70 -0.04 0.00 -0.13 0.00 0.00 32.58 29.57 2hgc s HIS 50 CO 0.09 -0.09 0.19 0.71 -2.47 0.00 0.00 174.74 173.17 2hgc s TYR 51 N 1.58 3.34 -0.10 3.88 1.51 -1.26 -0.09 117.35 126.21 2hgc s TYR 51 Ca 0.26 0.10 -0.10 0.00 -1.01 0.00 0.00 57.07 56.31 2hgc s TYR 51 Cb -0.16 -1.63 -0.28 0.00 -0.11 0.00 0.00 41.96 39.79 2hgc s TYR 51 CO 0.10 0.53 0.49 0.77 -1.11 0.00 0.00 175.55 176.33 2hgc h SER 52 N 2.61 0.46 0.00 2.29 0.02 -1.62 -3.47 113.55 113.84 2hgc h SER 52 Ca -0.47 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 59.56 2hgc h SER 52 Cb 1.18 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2hgc h SER 52 CO 0.68 1.79 0.00 -0.67 -1.14 0.00 0.00 176.83 177.49 2hgc n ASP 53 N -3.63 0.00 0.00 3.07 2.03 -1.26 -4.98 116.55 111.78 2hgc n ASP 53 Ca -0.29 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.02 2hgc n ASP 53 Cb 1.02 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.42 2hgc n ASP 53 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2hgc n ASP 54 N 0.00 0.85 -4.41 1.67 5.75 -1.26 -5.10 116.55 114.05 2hgc n ASP 54 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.48 2hgc n ASP 54 Cb 0.00 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 39.96 2hgc n ASP 54 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2hgc s ARG 55 N -1.21 1.77 0.51 0.11 0.52 -1.26 -5.09 118.95 114.31 2hgc s ARG 55 Ca 0.00 -1.15 -0.06 0.00 -0.52 0.00 0.00 55.73 54.00 2hgc s ARG 55 Cb 0.00 -2.04 -0.03 0.00 0.52 0.00 0.00 34.95 33.40 2hgc s ARG 55 CO 0.00 0.50 0.83 -1.25 0.02 0.00 0.00 175.30 175.40 2hgc s PRO 56 N -1.63 3.47 -0.04 3.54 0.04 -1.26 -1.52 135.00 137.60 2hgc s PRO 56 Ca 0.14 0.25 -0.00 0.00 0.04 0.00 0.00 61.00 61.43 2hgc s PRO 56 Cb -0.10 -2.32 0.03 0.00 0.04 0.00 0.00 34.50 32.14 2hgc s PRO 56 CO 0.05 -0.32 0.01 -1.01 0.04 0.00 0.00 177.00 175.77 2hgc s HIS 57 N -2.83 0.37 0.36 0.56 3.76 0.88 -4.89 115.29 113.49 2hgc s HIS 57 Ca 0.49 -0.01 -0.09 0.00 -0.15 0.00 0.00 55.06 55.31 2hgc s HIS 57 Cb -0.10 -0.50 -0.06 0.00 1.11 0.00 0.00 32.58 33.03 2hgc s HIS 57 CO 0.46 -0.17 0.70 -0.51 -0.85 0.00 0.00 174.74 174.36 2hgc s LEU 58 N 1.32 3.91 0.00 0.89 1.43 -1.26 -3.95 118.68 121.02 2hgc s LEU 58 Ca -0.06 0.99 0.04 0.00 -1.03 0.00 0.00 54.13 54.07 2hgc s LEU 58 Cb -0.13 -3.85 -0.01 0.00 0.03 0.00 0.00 46.19 42.22 2hgc s LEU 58 CO -0.02 -0.33 0.14 -1.22 0.23 0.00 0.00 176.35 175.15 2hgc n TYR 59 N -1.16 -0.08 0.46 0.29 4.01 -1.26 -4.55 117.16 114.87 2hgc n TYR 59 Ca 0.01 -2.01 0.13 0.00 -0.16 0.00 0.00 57.90 55.87 2hgc n TYR 59 Cb 0.54 0.05 0.47 0.00 -0.31 0.00 0.00 39.34 40.09 2hgc n TYR 59 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2hgc h LYS 60 N 0.00 0.00 -3.24 -0.72 1.57 -1.80 -3.26 116.57 109.12 2hgc h LYS 60 Ca -0.22 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.41 2hgc h LYS 60 Cb 0.91 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.99 2hgc h LYS 60 CO 0.35 0.00 -0.42 -0.48 -0.57 0.00 0.00 179.45 178.33 2hgc s LEU 61 N -4.66 1.18 0.00 2.94 0.05 -1.26 -4.83 118.68 112.10 2hgc s LEU 61 Ca 0.06 0.19 0.00 0.00 0.05 0.00 0.00 54.13 54.43 2hgc s LEU 61 Cb 0.10 0.87 0.00 0.00 -2.05 0.00 0.00 46.19 45.11 2hgc s LEU 61 CO 0.48 -0.25 0.00 0.61 -0.55 0.00 0.00 176.35 176.64 2hgc n GLY 62 N 2.14 2.37 3.68 -3.48 0.00 -1.26 -5.08 105.19 103.56 2hgc n GLY 62 Ca -0.18 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 2hgc n GLY 62 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2hgc s PRO 63 N 0.00 4.16 0.03 1.61 0.02 -1.13 -4.04 135.00 135.65 2hgc s PRO 63 Ca 0.00 2.47 0.01 0.00 0.02 0.00 0.00 61.00 63.50 2hgc s PRO 63 Cb 0.00 -3.75 -0.02 0.00 0.02 0.00 0.00 34.50 30.74 2hgc s PRO 63 CO 0.00 -0.83 -0.04 -2.00 -0.33 0.00 0.00 177.00 173.80 2hgc s GLU 64 N 3.19 0.41 0.07 5.54 -6.30 0.40 -4.97 118.70 117.04 2hgc s GLU 64 Ca 0.79 -0.73 -0.15 0.00 -2.50 0.00 0.00 54.97 52.38 2hgc s GLU 64 Cb -0.42 0.00 -0.06 0.00 0.00 0.00 0.00 34.13 33.65 2hgc s GLU 64 CO 0.35 -0.03 0.47 -0.51 0.02 0.00 0.00 175.26 175.57 2hgc s LEU 65 N -1.69 4.43 0.83 2.70 1.02 -1.26 -1.20 118.68 123.50 2hgc s LEU 65 Ca -0.11 1.02 -0.06 0.00 0.02 0.00 0.00 54.13 55.00 2hgc s LEU 65 Cb -0.08 -2.89 0.17 0.00 0.02 0.00 0.00 46.19 43.41 2hgc s LEU 65 CO -0.02 0.23 1.13 0.42 0.02 0.00 0.00 176.35 178.14 2hgc s THR 66 N -1.24 2.03 0.28 5.49 -4.23 -0.46 -4.91 115.64 112.60 2hgc s THR 66 Ca 0.30 -0.40 -0.01 0.00 -1.18 0.00 0.00 61.69 60.40 2hgc s THR 66 Cb -0.16 -2.63 0.28 0.00 1.34 0.00 0.00 72.50 71.33 2hgc s THR 66 CO 0.17 0.00 1.90 -0.08 -0.54 0.00 0.00 174.62 176.07 2hgc h GLU 67 N -0.99 1.08 -0.55 3.99 4.22 -1.89 -2.39 114.58 118.05 2hgc h GLU 67 Ca -0.38 -0.06 -0.06 0.00 0.08 0.00 0.00 59.36 58.93 2hgc h GLU 67 Cb 1.25 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2hgc h GLU 67 CO 0.36 0.71 0.10 -0.22 -2.18 0.00 0.00 179.01 177.79 2hgc h LYS 68 N 1.11 0.90 -0.20 1.92 1.63 -1.87 -1.77 116.57 118.29 2hgc h LYS 68 Ca 0.41 -0.23 -0.00 0.00 -0.85 0.00 0.00 60.65 59.97 2hgc h LYS 68 Cb 0.16 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 2hgc h LYS 68 CO -0.15 0.86 0.11 0.78 -3.45 0.00 0.00 179.45 177.60 2hgc h GLY 69 N 0.79 0.30 0.95 5.01 0.00 -1.57 0.39 103.07 108.95 2hgc h GLY 69 Ca 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 2hgc h GLY 69 CO 0.01 0.13 0.19 0.83 0.00 0.00 0.00 176.54 177.70 2hgc h GLU 70 N 0.22 0.60 0.00 4.80 4.39 -1.29 -2.03 114.58 121.27 2hgc h GLU 70 Ca 0.07 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 2hgc h GLU 70 Cb 0.07 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2hgc h GLU 70 CO -0.01 0.54 -0.34 -0.91 -1.16 0.00 0.00 179.01 177.12 2hgc h ASN 71 N 0.53 0.00 -0.41 1.42 2.35 -1.26 -3.02 115.58 115.19 2hgc h ASN 71 Ca 0.14 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.75 2hgc h ASN 71 Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2hgc h ASN 71 CO -0.02 0.34 -0.31 0.22 -1.65 0.00 0.00 177.43 176.01 2hgc h TYR 72 N 0.00 1.09 -0.92 1.19 3.20 -0.51 -2.91 116.97 118.12 2hgc h TYR 72 Ca -0.00 -0.31 0.11 0.00 3.14 0.00 0.00 58.73 61.67 2hgc h TYR 72 Cb 0.93 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.89 2hgc h TYR 72 CO 0.00 1.12 0.59 -0.07 -1.64 0.00 0.00 178.16 178.16 2hgc h LEU 73 N 0.75 0.80 -0.33 2.82 3.38 -1.25 0.11 115.31 121.60 2hgc h LEU 73 Ca 0.08 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.12 2hgc h LEU 73 Cb 0.90 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 2hgc h LEU 73 CO 0.08 0.45 0.08 0.50 0.09 0.00 0.00 178.44 179.64 2hgc h LYS 74 N 0.88 0.19 0.04 1.13 3.64 -1.51 -0.91 116.57 120.02 2hgc h LYS 74 Ca 0.44 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.54 2hgc h LYS 74 Cb 0.48 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 2hgc h LYS 74 CO -0.20 0.13 -1.42 0.93 -2.27 0.00 0.00 179.45 176.61 2hgc h GLU 75 N 0.20 0.08 0.00 1.90 5.08 -1.49 -3.22 114.58 117.13 2hgc h GLU 75 Ca 0.16 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2hgc h GLU 75 Cb 0.17 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2hgc h GLU 75 CO -0.20 0.86 0.00 -1.71 -1.00 0.00 0.00 179.01 176.96 2hgc n ASN 76 N -3.27 0.00 0.33 1.42 5.15 0.36 -1.80 115.26 117.45 2hgc n ASN 76 Ca -0.11 -1.27 0.22 0.00 -0.60 0.00 0.00 54.58 52.82 2hgc n ASN 76 Cb 1.01 0.00 1.17 0.00 -0.53 0.00 0.00 39.78 41.43 2hgc n ASN 76 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2hgc h GLY 77 N 4.52 0.00 2.00 8.20 0.00 -1.18 0.25 103.07 116.87 2hgc h GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hgc h GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2hgc h THR 78 N 0.00 0.00 0.00 4.70 1.03 -1.62 -3.47 112.91 113.55 2hgc h THR 78 Ca -0.00 -0.72 0.00 0.00 -0.01 0.00 0.00 66.41 65.68 2hgc h THR 78 Cb 0.04 1.71 0.00 0.00 -1.07 0.00 0.00 68.15 68.83 2hgc h THR 78 CO 0.00 0.00 0.00 1.87 -0.01 0.00 0.00 175.52 177.38 2hgc n TRP 79 N -2.75 0.00 -3.31 0.00 -0.00 0.89 -4.10 117.44 108.16 2hgc n TRP 79 Ca 0.04 0.00 -0.21 0.00 -0.00 0.00 0.00 57.50 57.33 2hgc n TRP 79 Cb 0.46 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.69 2hgc n TRP 79 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2hgc s SER 80 N -2.01 1.24 -0.03 5.87 0.15 -1.26 -4.71 113.70 112.94 2hgc s SER 80 Ca 0.00 -2.20 0.01 0.00 0.70 0.00 0.00 55.95 54.46 2hgc s SER 80 Cb 0.00 0.23 0.04 0.00 -1.71 0.00 0.00 66.02 64.58 2hgc s SER 80 CO 0.00 -0.21 0.42 1.17 1.20 0.00 0.00 173.24 175.82 2hgc n LYS 81 N 3.58 0.12 0.00 5.44 4.81 -1.26 -5.18 118.16 125.67 2hgc n LYS 81 Ca 0.18 -0.23 0.15 0.00 -0.87 0.00 0.00 58.31 57.55 2hgc n LYS 81 Cb 0.46 0.33 0.74 0.00 0.02 0.00 0.00 35.03 36.57 2hgc n LYS 81 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57