#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 0.62 -0.16 -5.58 7.99 -1.26 -4.60 117.00 114.01 2hgc n LEU 6 Ca 0.00 -0.32 -0.03 0.00 -0.01 0.00 0.00 56.01 55.65 2hgc n LEU 6 Cb 0.00 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.37 2hgc n LEU 6 CO 0.00 0.16 0.95 0.03 -1.51 0.00 0.00 177.39 177.01 2hgc h ARG 7 N 0.00 0.31 0.36 3.23 3.08 -1.99 0.98 114.38 120.35 2hgc h ARG 7 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2hgc h ARG 7 Cb 0.66 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 2hgc h ARG 7 CO 0.00 0.20 -0.39 -0.92 -1.07 0.00 0.00 179.97 177.79 2hgc h TYR 8 N 0.32 -1.08 -0.52 3.04 3.20 -1.94 -1.21 116.97 118.78 2hgc h TYR 8 Ca 0.24 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 2hgc h TYR 8 Cb 0.28 0.43 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 2hgc h TYR 8 CO -0.18 -0.54 0.28 0.00 -1.64 0.00 0.00 178.16 176.09 2hgc h ALA 9 N -0.38 0.67 -0.10 1.82 0.00 -1.68 -2.40 119.26 117.18 2hgc h ALA 9 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2hgc h ALA 9 Cb 0.71 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2hgc h ALA 9 CO -0.09 0.19 0.06 0.82 0.00 0.00 0.00 179.25 180.24 2hgc h ILE 10 N 0.70 1.02 -0.28 0.00 2.04 -0.72 -1.14 117.51 119.13 2hgc h ILE 10 Ca 0.18 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 66.00 2hgc h ILE 10 Cb 0.05 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2hgc h ILE 10 CO -0.03 0.02 0.18 -0.07 0.00 0.00 0.00 178.15 178.26 2hgc h LEU 11 N 0.13 0.31 -0.48 1.44 4.07 -1.00 0.00 115.31 119.78 2hgc h LEU 11 Ca 0.04 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.88 2hgc h LEU 11 Cb -0.01 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.64 2hgc h LEU 11 CO -0.01 0.23 -0.55 0.07 -1.08 0.00 0.00 178.44 177.10 2hgc h LYS 12 N 0.37 0.00 0.00 1.13 5.09 -1.36 0.35 116.57 122.15 2hgc h LYS 12 Ca 0.11 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.70 2hgc h LYS 12 Cb -0.03 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.28 2hgc h LYS 12 CO -0.03 0.55 -0.70 0.93 -2.09 0.00 0.00 179.45 178.11 2hgc h GLU 13 N 0.00 0.00 -0.01 0.07 4.39 -0.93 -1.46 114.58 116.64 2hgc h GLU 13 Ca -0.01 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2hgc h GLU 13 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2hgc h GLU 13 CO 0.07 0.70 -0.15 0.82 -1.16 0.00 0.00 179.01 179.29 2hgc h ILE 14 N 0.00 1.53 -0.15 3.13 2.04 -0.81 0.52 117.51 123.76 2hgc h ILE 14 Ca -0.01 -1.77 0.03 0.00 1.00 0.00 0.00 64.86 64.11 2hgc h ILE 14 Cb 1.39 2.64 -0.03 0.00 -0.74 0.00 0.00 36.82 40.09 2hgc h ILE 14 CO 0.09 0.48 -0.04 0.15 0.00 0.00 0.00 178.15 178.83 2hgc h PHE 15 N -0.52 -0.09 0.01 1.37 3.57 -0.93 -1.03 116.94 119.32 2hgc h PHE 15 Ca -0.01 0.01 -0.26 0.00 3.53 0.00 0.00 57.97 61.24 2hgc h PHE 15 Cb 0.86 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 2hgc h PHE 15 CO 0.17 -0.07 -1.44 0.93 -2.23 0.00 0.00 178.31 175.67 2hgc h GLU 16 N -0.00 0.01 0.00 1.11 5.08 -1.40 -3.34 114.58 116.04 2hgc h GLU 16 Ca 0.07 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 2hgc h GLU 16 Cb 0.11 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2hgc h GLU 16 CO -0.16 0.72 -0.34 0.78 -1.00 0.00 0.00 179.01 179.01 2hgc h GLY 17 N 3.21 0.00 0.00 -3.84 0.00 -0.76 -3.46 103.07 98.22 2hgc h GLY 17 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2hgc h GLY 17 CO 0.10 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.63 2hgc n ASN 18 N -3.39 0.00 -1.42 0.19 4.05 -0.40 -4.78 115.26 109.50 2hgc n ASN 18 Ca 0.01 0.00 0.10 0.00 0.45 0.00 0.00 54.58 55.14 2hgc n ASN 18 Cb 0.53 -0.66 -0.06 0.00 1.23 0.00 0.00 39.78 40.83 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 -2.00 -1.49 -1.64 -0.44 -2.24 -1.26 -4.83 114.28 100.39 2hgc n THR 19 Ca 0.00 1.02 -0.29 0.00 -2.27 0.00 0.00 64.05 62.51 2hgc n THR 19 Cb 0.00 -1.61 0.10 0.00 -2.10 0.00 0.00 70.33 66.71 2hgc n THR 19 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 2hgc s PRO 20 N -4.75 1.91 -0.13 -0.78 0.02 -1.25 -4.55 135.00 125.48 2hgc s PRO 20 Ca 0.00 0.45 -0.06 0.00 0.02 0.00 0.00 61.00 61.40 2hgc s PRO 20 Cb 0.00 -1.91 0.06 0.00 0.02 0.00 0.00 34.50 32.66 2hgc s PRO 20 CO 0.00 -1.70 0.30 -0.48 -0.33 0.00 0.00 177.00 174.79 2hgc s LEU 21 N -5.76 0.07 0.77 -5.54 2.34 -1.26 -5.08 118.68 104.22 2hgc s LEU 21 Ca 0.61 0.66 -0.10 0.00 0.06 0.00 0.00 54.13 55.36 2hgc s LEU 21 Cb -0.14 0.92 0.07 0.00 -0.56 0.00 0.00 46.19 46.49 2hgc s LEU 21 CO 0.53 -0.19 1.12 -0.44 -1.06 0.00 0.00 176.35 176.31 2hgc s SER 22 N 1.62 4.62 0.33 1.48 0.01 -1.26 -4.84 113.70 115.66 2hgc s SER 22 Ca -0.07 0.67 0.02 0.00 1.31 0.00 0.00 55.95 57.88 2hgc s SER 22 Cb -0.10 -1.22 0.59 0.00 0.21 0.00 0.00 66.02 65.50 2hgc s SER 22 CO -0.10 -1.80 1.96 1.05 0.41 0.00 0.00 173.24 174.77 2hgc h GLU 23 N -0.89 0.91 0.00 12.44 9.09 -1.92 -0.15 114.58 134.07 2hgc h GLU 23 Ca -0.45 -0.06 -0.06 0.00 0.05 0.00 0.00 59.36 58.84 2hgc h GLU 23 Cb 1.32 -0.21 -0.01 0.00 -1.65 0.00 0.00 28.75 28.21 2hgc h GLU 23 CO 0.64 0.61 -0.29 -0.97 0.05 0.00 0.00 179.01 179.04 2hgc h ASN 24 N 0.94 0.00 0.00 3.06 -1.24 -1.93 0.53 115.58 116.94 2hgc h ASN 24 Ca 0.31 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.31 2hgc h ASN 24 Cb 0.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.11 2hgc h ASN 24 CO -0.09 0.29 -0.02 0.44 -1.29 0.00 0.00 177.43 176.77 2hgc h ASP 25 N 0.00 0.01 0.82 1.15 3.32 -1.44 -3.35 116.42 116.94 2hgc h ASP 25 Ca -0.00 -0.85 -0.16 0.00 0.02 0.00 0.00 57.03 56.04 2hgc h ASP 25 Cb 0.60 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2hgc h ASP 25 CO 0.04 0.86 -0.75 -0.29 -1.72 0.00 0.00 179.24 177.38 2hgc h ILE 26 N -0.83 1.50 0.00 0.35 2.10 -1.08 -3.48 117.51 116.07 2hgc h ILE 26 Ca -0.00 -2.61 0.00 0.00 1.08 0.00 0.00 64.86 63.32 2hgc h ILE 26 Cb 0.86 2.42 0.00 0.00 -1.09 0.00 0.00 36.82 39.02 2hgc h ILE 26 CO 0.00 0.74 0.00 0.61 -1.08 0.00 0.00 178.15 178.42 2hgc n GLY 27 N 0.73 1.70 3.27 8.18 0.00 0.04 -5.06 105.19 114.05 2hgc n GLY 27 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 0.22 0.60 1.61 -7.23 -0.41 -5.04 120.40 108.15 2hgc s VAL 28 Ca 0.00 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 2hgc s VAL 28 Cb 0.00 -2.54 0.01 0.00 0.56 0.00 0.00 36.38 34.41 2hgc s VAL 28 CO 0.00 0.00 0.92 0.28 -0.31 0.00 0.00 175.10 175.99 2hgc s THR 29 N -3.88 3.70 0.21 5.32 -1.32 -1.26 -4.08 115.64 114.33 2hgc s THR 29 Ca 0.38 0.09 -0.10 0.00 -1.21 0.00 0.00 61.69 60.85 2hgc s THR 29 Cb 0.06 -3.48 0.16 0.00 -1.51 0.00 0.00 72.50 67.73 2hgc s THR 29 CO 0.15 -0.51 1.85 -0.33 -2.21 0.00 0.00 174.62 173.57 2hgc h GLU 30 N -0.22 1.03 0.38 7.08 5.08 -1.98 -1.36 114.58 124.58 2hgc h GLU 30 Ca -0.45 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 57.80 2hgc h GLU 30 Cb 1.25 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2hgc h GLU 30 CO 0.61 0.73 -0.18 0.22 -1.00 0.00 0.00 179.01 179.38 2hgc h ASP 31 N 1.04 -0.44 0.76 1.42 3.58 -1.99 0.13 116.42 120.92 2hgc h ASP 31 Ca 0.27 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.67 2hgc h ASP 31 Cb -0.05 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 2hgc h ASP 31 CO -0.05 -0.27 -0.20 1.56 -2.88 0.00 0.00 179.24 177.39 2hgc h GLN 32 N -0.56 0.00 0.27 0.28 1.08 -1.95 0.23 115.11 114.45 2hgc h GLN 32 Ca -0.05 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 2hgc h GLN 32 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2hgc h GLN 32 CO 0.09 0.20 -0.13 0.35 -0.95 0.00 0.00 178.83 178.39 2hgc h PHE 33 N 0.00 -0.34 -0.38 2.96 3.57 -0.75 -0.75 116.94 121.26 2hgc h PHE 33 Ca -0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 2hgc h PHE 33 Cb 0.63 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.43 2hgc h PHE 33 CO 0.00 -0.00 0.04 0.22 -2.23 0.00 0.00 178.31 176.34 2hgc h ASP 34 N -0.71 -0.07 0.08 0.41 1.82 -0.51 0.21 116.42 117.64 2hgc h ASP 34 Ca -0.04 0.07 0.02 0.00 -0.39 0.00 0.00 57.03 56.70 2hgc h ASP 34 Cb 0.49 0.12 -0.05 0.00 0.68 0.00 0.00 39.33 40.57 2hgc h ASP 34 CO 0.06 0.00 -0.39 -0.78 -1.61 0.00 0.00 179.24 176.52 2hgc h ASP 35 N 0.15 -1.15 -0.14 2.28 1.82 -0.92 0.26 116.42 118.72 2hgc h ASP 35 Ca 0.18 0.13 -0.07 0.00 -0.39 0.00 0.00 57.03 56.89 2hgc h ASP 35 Cb 0.24 0.44 -0.00 0.00 0.68 0.00 0.00 39.33 40.69 2hgc h ASP 35 CO -0.27 -0.45 -0.18 0.00 -1.61 0.00 0.00 179.24 176.72 2hgc h ALA 36 N -0.03 0.21 -0.51 -0.78 0.00 -0.95 -1.94 119.26 115.26 2hgc h ALA 36 Ca 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2hgc h ALA 36 Cb 0.64 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2hgc h ALA 36 CO -0.25 0.13 0.28 0.28 0.00 0.00 0.00 179.25 179.68 2hgc h VAL 37 N -0.01 1.18 -0.31 0.00 2.07 -0.89 0.22 116.25 118.51 2hgc h VAL 37 Ca 0.02 -0.46 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 2hgc h VAL 37 Cb 0.73 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2hgc h VAL 37 CO 0.04 0.19 -0.17 0.78 0.02 0.00 0.00 177.57 178.43 2hgc h ASN 38 N 0.68 0.56 -0.36 0.57 2.35 -0.97 0.25 115.58 118.66 2hgc h ASN 38 Ca 0.18 -0.17 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 2hgc h ASN 38 Cb 0.06 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2hgc h ASN 38 CO -0.03 0.75 -0.21 0.15 -1.65 0.00 0.00 177.43 176.44 2hgc h PHE 39 N 0.51 0.91 -0.69 1.19 3.57 -0.80 -0.29 116.94 121.33 2hgc h PHE 39 Ca 0.08 -0.24 -0.03 0.00 3.53 0.00 0.00 57.97 61.32 2hgc h PHE 39 Cb 0.59 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 2hgc h PHE 39 CO 0.02 0.99 0.32 -0.07 -2.23 0.00 0.00 178.31 177.34 2hgc h LEU 40 N 0.57 0.88 -1.12 0.59 3.38 -0.25 -1.23 115.31 118.13 2hgc h LEU 40 Ca 0.08 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2hgc h LEU 40 Cb 0.77 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2hgc h LEU 40 CO 0.06 0.75 -0.31 0.50 0.09 0.00 0.00 178.44 179.54 2hgc h LYS 41 N 0.97 0.00 0.22 1.13 3.64 -0.73 0.40 116.57 122.20 2hgc h LYS 41 Ca 0.24 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 2hgc h LYS 41 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2hgc h LYS 41 CO -0.03 0.31 -0.10 -0.09 -2.27 0.00 0.00 179.45 177.26 2hgc h ARG 42 N 0.00 -0.28 0.00 1.90 2.43 0.15 -3.23 114.38 115.35 2hgc h ARG 42 Ca -0.00 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2hgc h ARG 42 Cb 0.78 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2hgc h ARG 42 CO 0.04 0.10 -0.04 0.93 -1.51 0.00 0.00 179.97 179.49 2hgc h GLU 43 N -0.80 0.00 -1.06 0.20 5.08 -1.51 -3.48 114.58 113.01 2hgc h GLU 43 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2hgc h GLU 43 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2hgc h GLU 43 CO 0.05 0.01 0.00 0.41 -1.00 0.00 0.00 179.01 178.48 2hgc n GLY 44 N 1.11 0.84 0.11 -3.84 0.00 -0.33 -5.02 105.19 98.05 2hgc n GLY 44 Ca 0.04 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.53 0.43 -3.98 1.61 4.02 0.13 -4.50 117.16 114.34 2hgc n TYR 45 Ca 0.00 0.13 -0.09 0.00 -0.01 0.00 0.00 57.90 57.93 2hgc n TYR 45 Cb 0.19 -1.07 -0.11 0.00 -0.02 0.00 0.00 39.34 38.33 2hgc n TYR 45 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 2hgc s ILE 46 N -2.53 0.12 0.38 -0.72 -5.25 -1.24 -1.47 121.20 110.48 2hgc s ILE 46 Ca -0.15 -0.96 0.06 0.00 -0.99 0.00 0.00 60.65 58.61 2hgc s ILE 46 Cb 0.07 -0.33 -0.02 0.00 2.95 0.00 0.00 42.46 45.13 2hgc s ILE 46 CO 0.77 -0.53 0.21 2.30 -1.79 0.00 0.00 174.94 175.91 2hgc n ILE 47 N 1.52 0.00 -0.75 8.37 -0.00 0.27 -4.32 119.36 124.45 2hgc n ILE 47 Ca -0.23 -2.46 0.00 0.00 -0.00 0.00 0.00 62.75 60.06 2hgc n ILE 47 Cb 0.55 1.03 0.00 0.00 -0.00 0.00 0.00 39.64 41.23 2hgc n ILE 47 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2hgc n GLY 48 N -0.79 0.77 3.62 3.28 0.00 -1.26 0.05 105.19 110.86 2hgc n GLY 48 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.88 3.32 -0.48 1.61 1.01 -1.26 -3.24 120.40 118.48 2hgc s VAL 49 Ca 0.00 0.35 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 2hgc s VAL 49 Cb 0.00 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 33.05 2hgc s VAL 49 CO 0.00 -0.18 1.14 -1.00 0.00 0.00 0.00 175.10 175.06 2hgc s HIS 50 N 6.41 2.82 -0.13 5.22 3.76 -1.13 -4.92 115.29 127.33 2hgc s HIS 50 Ca 0.85 0.72 -0.17 0.00 -0.15 0.00 0.00 55.06 56.32 2hgc s HIS 50 Cb -0.30 -4.43 -0.04 0.00 1.11 0.00 0.00 32.58 28.92 2hgc s HIS 50 CO 0.34 -1.27 0.41 -0.47 -0.85 0.00 0.00 174.74 172.90 2hgc s TYR 51 N 4.45 3.50 -0.36 1.40 5.04 -1.26 -0.22 117.35 129.90 2hgc s TYR 51 Ca 0.48 0.79 0.09 0.00 -2.44 0.00 0.00 57.07 55.99 2hgc s TYR 51 Cb -0.07 -2.47 0.66 0.00 0.35 0.00 0.00 41.96 40.43 2hgc s TYR 51 CO 0.32 0.21 1.64 0.43 -1.34 0.00 0.00 175.55 176.81 2hgc n SER 52 N 3.57 4.60 0.00 4.32 7.64 -0.43 -4.93 113.62 128.40 2hgc n SER 52 Ca -0.09 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 56.80 2hgc n SER 52 Cb 0.52 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2hgc n SER 52 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2hgc n ASP 53 N 0.05 0.00 0.32 6.43 2.03 -1.26 -4.39 116.55 119.73 2hgc n ASP 53 Ca 0.33 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.50 2hgc n ASP 53 Cb 1.22 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.55 2hgc n ASP 53 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2hgc h ASP 54 N 0.00 -0.72 -5.36 1.67 3.58 -2.01 -3.47 116.42 110.11 2hgc h ASP 54 Ca 0.00 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.30 2hgc h ASP 54 Cb 0.00 0.19 -0.14 0.00 1.72 0.00 0.00 39.33 41.09 2hgc h ASP 54 CO 0.00 -0.33 -0.58 -0.13 -2.88 0.00 0.00 179.24 175.32 2hgc s ARG 55 N -4.53 0.92 0.16 0.28 0.52 -1.26 -5.15 118.95 109.89 2hgc s ARG 55 Ca -0.13 -1.33 -0.30 0.00 -0.52 0.00 0.00 55.73 53.44 2hgc s ARG 55 Cb 0.01 0.27 -0.07 0.00 0.52 0.00 0.00 34.95 35.68 2hgc s ARG 55 CO 0.42 -0.27 0.98 -2.14 0.02 0.00 0.00 175.30 174.31 2hgc s PRO 56 N -4.01 4.72 -0.09 3.54 0.02 -1.26 -1.31 135.00 136.60 2hgc s PRO 56 Ca 0.19 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.74 2hgc s PRO 56 Cb 0.07 -3.33 0.02 0.00 0.02 0.00 0.00 34.50 31.28 2hgc s PRO 56 CO -0.01 0.26 -0.09 -1.01 -0.33 0.00 0.00 177.00 175.82 2hgc s HIS 57 N -0.34 1.42 -1.03 6.54 3.76 0.69 -4.93 115.29 121.39 2hgc s HIS 57 Ca 0.46 -0.64 -0.19 0.00 -0.15 0.00 0.00 55.06 54.55 2hgc s HIS 57 Cb -0.25 -1.14 0.11 0.00 1.11 0.00 0.00 32.58 32.41 2hgc s HIS 57 CO 0.31 -0.42 1.31 -0.51 -0.85 0.00 0.00 174.74 174.58 2hgc s LEU 58 N 1.35 4.60 0.91 0.89 1.43 -1.26 -2.82 118.68 123.78 2hgc s LEU 58 Ca -0.02 -2.12 -0.12 0.00 -1.03 0.00 0.00 54.13 50.84 2hgc s LEU 58 Cb -0.14 -2.45 0.14 0.00 0.03 0.00 0.00 46.19 43.77 2hgc s LEU 58 CO -0.04 -1.11 1.10 -0.31 0.23 0.00 0.00 176.35 176.22 2hgc s TYR 59 N 3.12 2.38 0.11 0.29 2.02 -1.26 -3.80 117.35 120.22 2hgc s TYR 59 Ca 0.39 1.07 -0.19 0.00 -0.37 0.00 0.00 57.07 57.97 2hgc s TYR 59 Cb -0.03 -3.23 -0.06 0.00 -0.40 0.00 0.00 41.96 38.24 2hgc s TYR 59 CO -0.06 -2.43 1.70 0.87 -1.57 0.00 0.00 175.55 174.05 2hgc h LYS 60 N -1.56 0.36 -4.68 -0.62 1.57 -1.88 -3.39 116.57 106.37 2hgc h LYS 60 Ca -0.51 -0.05 -0.69 0.00 -1.87 0.00 0.00 60.65 57.53 2hgc h LYS 60 Cb 1.31 -0.07 -0.24 0.00 0.08 0.00 0.00 32.23 33.31 2hgc h LYS 60 CO 0.58 0.34 -0.54 -0.51 -0.57 0.00 0.00 179.45 178.75 2hgc s LEU 61 N -9.96 4.41 0.00 2.94 2.01 -1.26 -4.68 118.68 112.14 2hgc s LEU 61 Ca -0.13 -0.78 0.00 0.00 0.01 0.00 0.00 54.13 53.22 2hgc s LEU 61 Cb 0.08 -2.01 0.00 0.00 0.01 0.00 0.00 46.19 44.28 2hgc s LEU 61 CO 0.71 -0.29 0.00 0.61 1.01 0.00 0.00 176.35 178.39 2hgc n GLY 62 N 4.98 -0.07 3.62 -3.19 0.00 -1.26 -5.03 105.19 104.24 2hgc n GLY 62 Ca -0.13 0.24 -0.52 0.00 0.00 0.00 0.00 46.02 45.62 2hgc n GLY 62 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hgc n PRO 63 N 0.00 1.54 -4.29 1.61 -0.02 -1.20 -4.03 135.00 128.62 2hgc n PRO 63 Ca 0.00 0.53 -0.16 0.00 -2.02 0.00 0.00 63.50 61.85 2hgc n PRO 63 Cb 0.00 -2.44 -0.10 0.00 -0.02 0.00 0.00 33.50 30.94 2hgc n PRO 63 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2hgc s GLU 64 N 4.60 1.17 0.04 -0.52 2.02 0.11 -4.96 118.70 121.16 2hgc s GLU 64 Ca 1.00 -1.51 0.02 0.00 0.02 0.00 0.00 54.97 54.49 2hgc s GLU 64 Cb -0.85 -0.81 -0.04 0.00 0.10 0.00 0.00 34.13 32.53 2hgc s GLU 64 CO 0.55 0.11 0.05 -0.51 0.02 0.00 0.00 175.26 175.48 2hgc s LEU 65 N -3.23 3.71 0.59 1.80 1.02 -1.26 -0.56 118.68 120.75 2hgc s LEU 65 Ca 0.19 0.00 -0.00 0.00 0.02 0.00 0.00 54.13 54.35 2hgc s LEU 65 Cb 0.01 -2.29 0.04 0.00 0.02 0.00 0.00 46.19 43.98 2hgc s LEU 65 CO 0.03 0.22 0.83 0.42 0.02 0.00 0.00 176.35 177.87 2hgc s THR 66 N -1.27 2.57 0.42 5.49 -4.23 -0.55 -4.87 115.64 113.20 2hgc s THR 66 Ca 0.25 -0.60 0.15 0.00 -1.18 0.00 0.00 61.69 60.31 2hgc s THR 66 Cb -0.12 -2.97 0.16 0.00 1.34 0.00 0.00 72.50 70.92 2hgc s THR 66 CO 0.17 0.00 1.95 -0.33 -0.54 0.00 0.00 174.62 175.87 2hgc h GLU 67 N -0.08 0.00 -0.28 3.99 3.07 -1.89 0.19 114.58 119.58 2hgc h GLU 67 Ca -0.42 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.43 2hgc h GLU 67 Cb 1.30 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.20 2hgc h GLU 67 CO 0.52 0.23 0.12 -0.22 -1.40 0.00 0.00 179.01 178.27 2hgc h LYS 68 N 0.00 0.41 -0.11 2.33 3.64 -1.88 -0.57 116.57 120.39 2hgc h LYS 68 Ca -0.00 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.11 2hgc h LYS 68 Cb 0.42 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2hgc h LYS 68 CO 0.03 0.42 -0.73 0.78 -2.27 0.00 0.00 179.45 177.68 2hgc h GLY 69 N 0.31 0.61 0.89 5.01 0.00 -1.52 -0.72 103.07 107.65 2hgc h GLY 69 Ca 0.09 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 2hgc h GLY 69 CO -0.01 0.76 0.02 -2.09 0.00 0.00 0.00 176.54 175.22 2hgc h GLU 70 N 0.38 0.08 0.00 4.80 4.22 -0.56 -0.89 114.58 122.60 2hgc h GLU 70 Ca -0.04 -0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.33 2hgc h GLU 70 Cb 1.32 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2hgc h GLU 70 CO 0.14 0.17 -0.29 -0.91 -2.18 0.00 0.00 179.01 175.94 2hgc h ASN 71 N -0.04 0.00 -0.76 1.04 2.35 -1.15 -2.62 115.58 114.40 2hgc h ASN 71 Ca 0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 2hgc h ASN 71 Cb 0.12 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 2hgc h ASN 71 CO -0.00 0.29 0.32 0.22 -1.65 0.00 0.00 177.43 176.61 2hgc h TYR 72 N 0.00 1.15 -0.90 1.19 3.20 -0.53 -2.18 116.97 118.91 2hgc h TYR 72 Ca -0.00 -0.08 0.12 0.00 3.14 0.00 0.00 58.73 61.91 2hgc h TYR 72 Cb 0.76 -0.35 -0.08 0.00 1.54 0.00 0.00 36.73 38.60 2hgc h TYR 72 CO 0.00 0.86 0.52 -0.07 -1.64 0.00 0.00 178.16 177.83 2hgc h LEU 73 N 1.12 0.73 -1.21 2.82 3.38 -0.78 0.70 115.31 122.06 2hgc h LEU 73 Ca 0.26 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.22 2hgc h LEU 73 Cb 0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2hgc h LEU 73 CO -0.02 0.38 -0.24 0.11 0.09 0.00 0.00 178.44 178.75 2hgc h LYS 74 N 0.82 0.24 0.11 1.13 1.57 -1.43 0.48 116.57 119.48 2hgc h LYS 74 Ca 0.45 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.15 2hgc h LYS 74 Cb 0.49 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2hgc h LYS 74 CO -0.29 0.47 -0.05 0.93 -0.57 0.00 0.00 179.45 179.95 2hgc h GLU 75 N 0.22 -0.14 -0.01 3.15 5.08 -0.75 -3.34 114.58 118.78 2hgc h GLU 75 Ca 0.04 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2hgc h GLU 75 Cb 0.55 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2hgc h GLU 75 CO 0.04 -0.09 0.00 0.27 -1.00 0.00 0.00 179.01 178.23 2hgc n ASN 76 N -4.06 0.13 0.00 1.42 2.04 0.06 -3.96 115.26 110.89 2hgc n ASN 76 Ca -0.02 -1.52 0.02 0.00 -0.44 0.00 0.00 54.58 52.62 2hgc n ASN 76 Cb 0.06 -0.01 0.09 0.00 -2.53 0.00 0.00 39.78 37.39 2hgc n ASN 76 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2hgc n GLY 77 N 0.77 -0.48 0.12 4.83 0.00 0.16 -2.18 105.19 108.41 2hgc n GLY 77 Ca 0.12 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 2hgc n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgc h THR 78 N 0.00 0.96 -6.88 2.61 1.03 -1.84 -3.47 112.91 105.32 2hgc h THR 78 Ca 0.00 -1.12 -0.30 0.00 -0.01 0.00 0.00 66.41 64.98 2hgc h THR 78 Cb 0.04 1.58 -0.04 0.00 -1.07 0.00 0.00 68.15 68.67 2hgc h THR 78 CO 0.00 0.24 -0.50 1.87 -0.01 0.00 0.00 175.52 177.12 2hgc n TRP 79 N -4.92 -0.66 0.00 0.00 -0.00 -0.93 -3.22 117.44 107.72 2hgc n TRP 79 Ca -0.08 0.10 0.00 0.00 -0.00 0.00 0.00 57.50 57.52 2hgc n TRP 79 Cb 0.27 -1.37 0.00 0.00 -0.00 0.00 0.00 31.31 30.21 2hgc n TRP 79 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2hgc n SER 80 N -0.78 0.00 -1.73 5.87 2.88 -1.26 -4.78 113.62 113.83 2hgc n SER 80 Ca -0.09 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.29 2hgc n SER 80 Cb 0.30 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.70 2hgc n SER 80 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2hgc n LYS 81 N 0.00 -1.52 0.00 -1.46 4.76 -1.20 -5.21 118.16 113.53 2hgc n LYS 81 Ca 0.00 0.94 0.12 0.00 -2.87 0.00 0.00 58.31 56.50 2hgc n LYS 81 Cb 0.00 -5.33 0.10 0.00 -1.84 0.00 0.00 35.03 27.96 2hgc n LYS 81 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03