#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 2.34 0.29 -0.35 7.99 -1.26 -4.36 117.00 121.64 2hgc n LEU 6 Ca 0.00 -0.84 0.17 0.00 -0.01 0.00 0.00 56.01 55.33 2hgc n LEU 6 Cb 0.00 0.00 0.84 0.00 -0.11 0.00 0.00 43.42 44.15 2hgc n LEU 6 CO 0.00 0.42 1.03 0.03 -1.51 0.00 0.00 177.39 177.36 2hgc h ARG 7 N 3.15 0.00 -0.13 3.23 3.08 -1.98 -0.70 114.38 121.02 2hgc h ARG 7 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2hgc h ARG 7 Cb 0.83 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 2hgc h ARG 7 CO 0.00 0.05 -0.15 -0.92 -1.07 0.00 0.00 179.97 177.88 2hgc h TYR 8 N 0.00 0.40 -0.89 3.04 3.20 -2.00 -2.39 116.97 118.33 2hgc h TYR 8 Ca -0.00 -0.13 0.05 0.00 3.14 0.00 0.00 58.73 61.79 2hgc h TYR 8 Cb 0.32 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 2hgc h TYR 8 CO 0.00 0.75 0.58 0.00 -1.64 0.00 0.00 178.16 177.85 2hgc h ALA 9 N 0.58 1.48 0.09 1.82 0.00 -1.47 0.20 119.26 121.96 2hgc h ALA 9 Ca 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2hgc h ALA 9 Cb 0.69 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2hgc h ALA 9 CO 0.04 0.42 -0.12 0.82 0.00 0.00 0.00 179.25 180.40 2hgc h ILE 10 N 1.07 0.72 -0.47 0.00 2.04 -1.18 0.44 117.51 120.13 2hgc h ILE 10 Ca 0.37 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.25 2hgc h ILE 10 Cb 0.10 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 2hgc h ILE 10 CO -0.12 0.00 0.27 -0.07 0.00 0.00 0.00 178.15 178.22 2hgc h LEU 11 N -0.25 0.42 -0.12 1.44 3.38 -0.78 -0.32 115.31 119.08 2hgc h LEU 11 Ca 0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2hgc h LEU 11 Cb 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2hgc h LEU 11 CO -0.06 0.29 0.06 0.50 0.09 0.00 0.00 178.44 179.33 2hgc h LYS 12 N 0.53 0.17 -0.07 1.13 3.64 -0.33 -0.76 116.57 120.88 2hgc h LYS 12 Ca 0.19 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 2hgc h LYS 12 Cb 0.05 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2hgc h LYS 12 CO -0.10 0.22 -0.23 0.93 -2.27 0.00 0.00 179.45 177.99 2hgc h GLU 13 N 0.07 0.11 -0.30 1.90 3.07 0.09 0.36 114.58 119.88 2hgc h GLU 13 Ca 0.04 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.78 2hgc h GLU 13 Cb 0.11 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 2hgc h GLU 13 CO -0.01 0.34 -0.17 0.82 -1.40 0.00 0.00 179.01 178.60 2hgc h ILE 14 N 0.11 1.29 0.01 3.13 2.04 -0.77 -0.30 117.51 123.02 2hgc h ILE 14 Ca 0.02 -1.28 -0.00 0.00 1.00 0.00 0.00 64.86 64.60 2hgc h ILE 14 Cb 0.47 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2hgc h ILE 14 CO 0.03 0.41 -0.00 0.15 0.00 0.00 0.00 178.15 178.74 2hgc h PHE 15 N 0.40 -0.01 -0.21 1.37 3.57 -0.51 0.64 116.94 122.20 2hgc h PHE 15 Ca 0.07 -0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.36 2hgc h PHE 15 Cb 0.70 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.45 2hgc h PHE 15 CO 0.06 0.74 -0.68 0.93 -2.23 0.00 0.00 178.31 177.13 2hgc h GLU 16 N -0.77 0.82 0.00 1.11 4.39 -0.44 -2.96 114.58 116.73 2hgc h GLU 16 Ca -0.00 -0.61 -0.10 0.00 0.34 0.00 0.00 59.36 58.99 2hgc h GLU 16 Cb 0.75 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 2hgc h GLU 16 CO 0.00 1.23 -0.45 0.78 -1.16 0.00 0.00 179.01 179.41 2hgc h GLY 17 N 0.58 0.00 -1.55 -3.84 0.00 -1.16 -3.47 103.07 93.63 2hgc h GLY 17 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.01 2hgc h GLY 17 CO 0.14 0.00 -0.34 -2.01 0.00 0.00 0.00 176.54 174.34 2hgc n ASN 18 N -3.63 -4.60 -1.33 0.19 4.05 0.21 -4.76 115.26 105.38 2hgc n ASN 18 Ca -0.01 0.14 0.15 0.00 0.45 0.00 0.00 54.58 55.31 2hgc n ASN 18 Cb 0.54 -3.61 -0.08 0.00 1.23 0.00 0.00 39.78 37.86 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 -3.44 -0.57 -1.63 -0.44 -2.24 -1.15 -4.85 114.28 99.97 2hgc n THR 19 Ca -0.16 0.70 -0.29 0.00 -2.27 0.00 0.00 64.05 62.03 2hgc n THR 19 Cb 0.57 -1.13 0.17 0.00 -2.10 0.00 0.00 70.33 67.85 2hgc n THR 19 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2hgc s PRO 20 N -4.07 0.58 -0.21 -0.78 0.04 -1.26 -4.68 135.00 124.62 2hgc s PRO 20 Ca 0.00 -0.05 -0.07 0.00 0.04 0.00 0.00 61.00 60.92 2hgc s PRO 20 Cb 0.00 -1.81 0.10 0.00 0.04 0.00 0.00 34.50 32.83 2hgc s PRO 20 CO 0.00 -2.51 0.44 -1.17 0.04 0.00 0.00 177.00 173.80 2hgc s LEU 21 N -6.11 -0.70 0.69 -3.56 2.96 -1.03 -4.99 118.68 105.94 2hgc s LEU 21 Ca 0.69 0.96 -0.05 0.00 -0.22 0.00 0.00 54.13 55.50 2hgc s LEU 21 Cb -0.09 1.42 0.07 0.00 0.50 0.00 0.00 46.19 48.08 2hgc s LEU 21 CO 0.53 -0.24 0.99 -0.44 -1.32 0.00 0.00 176.35 175.87 2hgc s SER 22 N 2.64 4.80 0.31 3.68 0.01 -1.26 -4.42 113.70 119.45 2hgc s SER 22 Ca -0.00 0.33 0.10 0.00 1.31 0.00 0.00 55.95 57.69 2hgc s SER 22 Cb -0.12 -0.98 0.49 0.00 0.21 0.00 0.00 66.02 65.61 2hgc s SER 22 CO -0.14 -1.58 1.70 1.05 0.41 0.00 0.00 173.24 174.68 2hgc h GLU 23 N -0.53 0.08 -0.04 12.44 9.09 -1.95 -3.21 114.58 130.47 2hgc h GLU 23 Ca -0.44 -0.04 -0.26 0.00 0.05 0.00 0.00 59.36 58.68 2hgc h GLU 23 Cb 1.31 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.43 2hgc h GLU 23 CO 0.57 0.55 -0.98 -0.97 0.05 0.00 0.00 179.01 178.23 2hgc h ASN 24 N 0.06 0.92 0.10 3.06 -1.24 -1.93 -2.61 115.58 113.94 2hgc h ASN 24 Ca 0.00 -0.71 0.00 0.00 0.71 0.00 0.00 56.30 56.31 2hgc h ASN 24 Cb 0.89 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.66 2hgc h ASN 24 CO 0.07 1.51 -0.04 -0.90 -1.29 0.00 0.00 177.43 176.77 2hgc n ASP 25 N -3.87 0.77 -0.12 1.15 5.75 -1.24 -3.44 116.55 115.54 2hgc n ASP 25 Ca -0.10 -1.08 -0.16 0.00 -0.01 0.00 0.00 54.79 53.43 2hgc n ASP 25 Cb 0.85 -0.01 -0.13 0.00 -1.03 0.00 0.00 41.12 40.80 2hgc n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hgc n ILE 26 N -0.51 1.47 0.00 2.12 3.06 -1.21 -4.99 119.36 119.30 2hgc n ILE 26 Ca 0.19 -0.64 0.00 0.00 -2.50 0.00 0.00 62.75 59.80 2hgc n ILE 26 Cb 0.26 -1.18 0.00 0.00 0.54 0.00 0.00 39.64 39.26 2hgc n ILE 26 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2hgc n GLY 27 N 2.13 2.01 3.66 4.50 0.00 -0.99 -5.06 105.19 111.44 2hgc n GLY 27 Ca -0.43 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.38 4.90 1.13 1.61 -7.23 -1.21 -4.96 120.40 114.27 2hgc s VAL 28 Ca 0.00 1.49 -0.16 0.00 -1.81 0.00 0.00 61.98 61.50 2hgc s VAL 28 Cb 0.00 -4.08 0.25 0.00 0.56 0.00 0.00 36.38 33.12 2hgc s VAL 28 CO 0.00 0.02 1.07 0.28 -0.31 0.00 0.00 175.10 176.16 2hgc s THR 29 N 2.32 1.80 0.18 5.32 -1.32 -1.26 -4.36 115.64 118.32 2hgc s THR 29 Ca 0.35 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.65 2hgc s THR 29 Cb -0.16 -2.39 0.14 0.00 -1.51 0.00 0.00 72.50 68.58 2hgc s THR 29 CO 0.10 0.00 1.63 -0.33 -2.21 0.00 0.00 174.62 173.81 2hgc h GLU 30 N -2.38 -0.08 0.13 7.08 5.08 -1.96 0.48 114.58 122.93 2hgc h GLU 30 Ca -0.52 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 57.86 2hgc h GLU 30 Cb 1.32 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.55 2hgc h GLU 30 CO 0.47 -0.05 -0.44 -0.44 -1.00 0.00 0.00 179.01 177.55 2hgc h ASP 31 N -0.08 -1.29 0.34 1.42 3.32 -1.99 0.16 116.42 118.30 2hgc h ASP 31 Ca 0.23 0.14 -0.12 0.00 0.02 0.00 0.00 57.03 57.30 2hgc h ASP 31 Cb 0.44 0.48 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 2hgc h ASP 31 CO -0.55 -0.50 -0.51 -0.61 -1.72 0.00 0.00 179.24 175.35 2hgc h GLN 32 N -0.68 0.20 0.13 3.56 4.15 -1.67 -1.80 115.11 119.01 2hgc h GLN 32 Ca 0.02 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 2hgc h GLN 32 Cb 0.70 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.40 2hgc h GLN 32 CO -0.24 0.66 -0.06 0.35 -1.93 0.00 0.00 178.83 177.61 2hgc h PHE 33 N 0.16 -0.16 -0.33 3.99 3.57 0.24 0.68 116.94 125.09 2hgc h PHE 33 Ca 0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2hgc h PHE 33 Cb 0.96 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 2hgc h PHE 33 CO 0.01 0.13 0.16 0.22 -2.23 0.00 0.00 178.31 176.60 2hgc h ASP 34 N -0.46 0.43 -0.43 0.41 3.58 -0.61 0.18 116.42 119.51 2hgc h ASP 34 Ca -0.02 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.32 2hgc h ASP 34 Cb 0.37 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 2hgc h ASP 34 CO 0.03 0.44 0.26 -0.78 -2.88 0.00 0.00 179.24 176.32 2hgc h ASP 35 N 0.39 0.44 0.55 2.28 1.82 -1.34 -1.29 116.42 119.26 2hgc h ASP 35 Ca 0.11 -0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.73 2hgc h ASP 35 Cb 0.13 -0.09 0.01 0.00 0.68 0.00 0.00 39.33 40.05 2hgc h ASP 35 CO -0.01 0.31 -0.26 0.00 -1.61 0.00 0.00 179.24 177.66 2hgc h ALA 36 N 1.18 -0.74 -0.63 -0.78 0.00 -0.47 -2.01 119.26 115.82 2hgc h ALA 36 Ca 0.17 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2hgc h ALA 36 Cb -0.01 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2hgc h ALA 36 CO -0.07 -0.90 0.38 0.28 0.00 0.00 0.00 179.25 178.94 2hgc h VAL 37 N -0.77 1.05 -0.57 0.00 2.07 -0.55 0.36 116.25 117.84 2hgc h VAL 37 Ca -0.08 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 2hgc h VAL 37 Cb 0.58 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2hgc h VAL 37 CO 0.12 0.13 0.08 0.78 0.02 0.00 0.00 177.57 178.71 2hgc h ASN 38 N 0.73 0.88 -0.04 0.57 2.35 -1.22 0.15 115.58 119.00 2hgc h ASN 38 Ca 0.26 -0.19 -0.21 0.00 -0.55 0.00 0.00 56.30 55.60 2hgc h ASN 38 Cb 0.06 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.20 2hgc h ASN 38 CO -0.12 0.89 -0.77 0.15 -1.65 0.00 0.00 177.43 175.93 2hgc h PHE 39 N 0.87 0.94 -0.62 1.19 3.57 -0.69 0.13 116.94 122.33 2hgc h PHE 39 Ca 0.18 -0.41 0.01 0.00 3.53 0.00 0.00 57.97 61.27 2hgc h PHE 39 Cb 0.40 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 2hgc h PHE 39 CO 0.02 1.23 0.41 -0.07 -2.23 0.00 0.00 178.31 177.67 2hgc h LEU 40 N 0.47 0.70 -0.35 0.59 3.38 -0.01 0.30 115.31 120.38 2hgc h LEU 40 Ca -0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2hgc h LEU 40 Cb 1.38 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2hgc h LEU 40 CO 0.15 0.50 0.11 0.50 0.09 0.00 0.00 178.44 179.80 2hgc h LYS 41 N 0.83 0.55 -0.21 1.13 3.11 -0.64 0.21 116.57 121.54 2hgc h LYS 41 Ca 0.23 -0.12 0.03 0.00 -2.81 0.00 0.00 60.65 57.98 2hgc h LYS 41 Cb -0.08 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.04 2hgc h LYS 41 CO -0.05 0.57 0.02 -0.09 -2.81 0.00 0.00 179.45 177.08 2hgc h ARG 42 N 0.42 0.09 -0.00 1.90 1.12 -0.17 -1.98 114.38 115.76 2hgc h ARG 42 Ca 0.11 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.98 2hgc h ARG 42 Cb 0.25 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.19 2hgc h ARG 42 CO -0.00 0.06 -0.00 -1.91 -3.11 0.00 0.00 179.97 175.01 2hgc n GLU 43 N -5.11 1.00 -2.64 0.20 4.07 1.00 -4.89 120.64 114.27 2hgc n GLU 43 Ca -0.02 -0.03 -0.03 0.00 -0.06 0.00 0.00 57.16 57.02 2hgc n GLU 43 Cb 0.10 -1.50 0.01 0.00 -0.06 0.00 0.00 31.44 29.99 2hgc n GLU 43 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2hgc n GLY 44 N 1.01 0.76 0.13 8.31 0.00 -0.75 -4.98 105.19 109.68 2hgc n GLY 44 Ca 0.24 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 2hgc n GLY 44 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2hgc h TYR 45 N -0.34 0.43 -3.95 1.61 0.05 -0.82 -3.40 116.97 110.54 2hgc h TYR 45 Ca -0.07 -0.31 -0.25 0.00 0.05 0.00 0.00 58.73 58.15 2hgc h TYR 45 Cb 1.05 -0.02 -0.20 0.00 1.01 0.00 0.00 36.73 38.57 2hgc h TYR 45 CO 0.06 1.57 -0.72 0.96 -1.05 0.00 0.00 178.16 178.98 2hgc s ILE 46 N -2.48 0.50 0.27 -2.88 -0.00 -1.25 -0.96 121.20 114.41 2hgc s ILE 46 Ca -0.20 -1.21 0.05 0.00 -0.00 0.00 0.00 60.65 59.29 2hgc s ILE 46 Cb 0.05 -0.75 -0.06 0.00 -0.00 0.00 0.00 42.46 41.70 2hgc s ILE 46 CO 0.76 -0.49 -0.00 0.27 -0.00 0.00 0.00 174.94 175.48 2hgc s ILE 47 N -1.79 1.27 0.00 8.37 -0.00 0.29 -4.49 121.20 124.86 2hgc s ILE 47 Ca -0.07 -2.05 0.00 0.00 -0.00 0.00 0.00 60.65 58.53 2hgc s ILE 47 Cb -0.07 -2.51 0.00 0.00 -0.00 0.00 0.00 42.46 39.88 2hgc s ILE 47 CO -0.01 -0.22 0.00 0.61 -0.00 0.00 0.00 174.94 175.32 2hgc n GLY 48 N -0.55 0.70 3.65 6.27 0.00 -1.26 0.19 105.19 114.19 2hgc n GLY 48 Ca -0.04 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 3.99 -0.44 1.61 1.01 -1.26 -2.75 120.40 120.55 2hgc s VAL 49 Ca 0.00 1.17 -0.22 0.00 0.00 0.00 0.00 61.98 62.93 2hgc s VAL 49 Cb 0.00 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.54 2hgc s VAL 49 CO 0.00 -0.23 0.70 -1.00 0.00 0.00 0.00 175.10 174.57 2hgc s HIS 50 N 4.17 3.03 -0.04 5.22 3.76 -1.26 -4.99 115.29 125.18 2hgc s HIS 50 Ca 0.62 0.04 -0.12 0.00 -0.15 0.00 0.00 55.06 55.45 2hgc s HIS 50 Cb -0.23 -3.48 -0.05 0.00 1.11 0.00 0.00 32.58 29.93 2hgc s HIS 50 CO 0.22 -0.92 0.31 0.71 -0.85 0.00 0.00 174.74 174.21 2hgc s TYR 51 N 3.02 3.68 -1.59 1.40 2.02 -1.26 -1.45 117.35 123.16 2hgc s TYR 51 Ca 0.26 0.82 0.13 0.00 -0.37 0.00 0.00 57.07 57.91 2hgc s TYR 51 Cb -0.13 -2.16 0.46 0.00 -0.40 0.00 0.00 41.96 39.73 2hgc s TYR 51 CO 0.21 0.68 1.35 -1.13 -1.57 0.00 0.00 175.55 175.08 2hgc n SER 52 N 1.89 3.04 -0.13 2.29 3.41 -1.18 -4.86 113.62 118.08 2hgc n SER 52 Ca -0.16 -2.17 -0.02 0.00 -0.26 0.00 0.00 58.87 56.26 2hgc n SER 52 Cb 0.53 -0.41 -0.01 0.00 -0.26 0.00 0.00 64.21 64.07 2hgc n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2hgc n ASP 53 N 0.79 -5.22 0.03 4.04 9.92 -1.26 -4.71 116.55 120.14 2hgc n ASP 53 Ca 0.17 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 2hgc n ASP 53 Cb 0.54 -2.87 0.00 0.00 -0.64 0.00 0.00 41.12 38.15 2hgc n ASP 53 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2hgc n ASP 54 N -0.73 0.36 -3.71 -2.24 2.03 -1.26 -5.10 116.55 105.89 2hgc n ASP 54 Ca -0.02 0.08 -0.14 0.00 0.52 0.00 0.00 54.79 55.23 2hgc n ASP 54 Cb 0.39 -0.08 -0.08 0.00 -0.72 0.00 0.00 41.12 40.63 2hgc n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hgc s ARG 55 N -2.00 0.75 -0.18 -0.67 1.70 -1.26 -5.13 118.95 112.16 2hgc s ARG 55 Ca 0.00 -0.11 -0.29 0.00 -0.47 0.00 0.00 55.73 54.86 2hgc s ARG 55 Cb 0.00 0.34 -0.03 0.00 -0.57 0.00 0.00 34.95 34.69 2hgc s ARG 55 CO 0.00 -0.21 1.53 -1.25 -1.08 0.00 0.00 175.30 174.28 2hgc s PRO 56 N -1.33 3.98 -0.46 3.89 0.04 -1.26 -3.10 135.00 136.77 2hgc s PRO 56 Ca -0.13 1.74 -0.14 0.00 0.04 0.00 0.00 61.00 62.52 2hgc s PRO 56 Cb -0.04 -3.96 0.07 0.00 0.04 0.00 0.00 34.50 30.62 2hgc s PRO 56 CO 0.05 -1.06 0.35 -1.01 0.04 0.00 0.00 177.00 175.37 2hgc s HIS 57 N 4.53 3.27 -0.92 0.56 3.76 -0.53 -5.01 115.29 120.94 2hgc s HIS 57 Ca 0.67 -1.11 -0.22 0.00 -0.15 0.00 0.00 55.06 54.25 2hgc s HIS 57 Cb -0.25 -3.10 0.08 0.00 1.11 0.00 0.00 32.58 30.41 2hgc s HIS 57 CO 0.26 -0.81 1.27 -0.51 -0.85 0.00 0.00 174.74 174.10 2hgc s LEU 58 N 1.58 4.09 0.88 0.89 1.43 -1.26 -4.04 118.68 122.25 2hgc s LEU 58 Ca 0.04 -1.51 -0.12 0.00 -1.03 0.00 0.00 54.13 51.51 2hgc s LEU 58 Cb -0.24 -2.49 0.17 0.00 0.03 0.00 0.00 46.19 43.65 2hgc s LEU 58 CO 0.05 -1.38 1.22 -0.31 0.23 0.00 0.00 176.35 176.16 2hgc s TYR 59 N 4.17 1.77 -1.94 0.29 2.02 -1.26 -2.47 117.35 119.93 2hgc s TYR 59 Ca 0.38 0.23 0.23 0.00 -0.37 0.00 0.00 57.07 57.53 2hgc s TYR 59 Cb -0.04 -3.78 1.35 0.00 -0.40 0.00 0.00 41.96 39.09 2hgc s TYR 59 CO -0.05 -2.31 1.74 0.36 -1.57 0.00 0.00 175.55 173.72 2hgc n LYS 60 N -3.48 0.68 -3.73 -0.62 2.85 -1.26 -4.34 118.16 108.25 2hgc n LYS 60 Ca 0.14 0.01 -0.13 0.00 -1.05 0.00 0.00 58.31 57.28 2hgc n LYS 60 Cb 0.60 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.34 2hgc n LYS 60 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2hgc s LEU 61 N -2.06 0.46 0.00 -5.58 2.96 -1.26 -4.88 118.68 108.31 2hgc s LEU 61 Ca 0.33 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.71 2hgc s LEU 61 Cb 0.16 0.63 0.00 0.00 0.50 0.00 0.00 46.19 47.48 2hgc s LEU 61 CO 0.27 -0.17 0.00 0.61 -1.32 0.00 0.00 176.35 175.75 2hgc n GLY 62 N 4.28 2.09 3.65 7.98 0.00 -1.26 -4.99 105.19 116.94 2hgc n GLY 62 Ca -0.25 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2hgc n GLY 62 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hgc s PRO 63 N 0.00 4.01 0.10 1.61 0.04 -1.11 -4.11 135.00 135.53 2hgc s PRO 63 Ca 0.00 2.29 0.07 0.00 0.04 0.00 0.00 61.00 63.40 2hgc s PRO 63 Cb 0.00 -4.11 -0.03 0.00 0.04 0.00 0.00 34.50 30.40 2hgc s PRO 63 CO 0.00 -1.07 -0.18 -1.21 0.04 0.00 0.00 177.00 174.57 2hgc s GLU 64 N 4.53 1.03 0.08 4.56 2.02 0.13 -4.96 118.70 126.08 2hgc s GLU 64 Ca 0.82 -1.11 -0.11 0.00 0.02 0.00 0.00 54.97 54.59 2hgc s GLU 64 Cb -0.36 -1.19 -0.06 0.00 0.10 0.00 0.00 34.13 32.62 2hgc s GLU 64 CO 0.35 0.27 0.42 -0.51 0.02 0.00 0.00 175.26 175.81 2hgc s LEU 65 N -1.91 4.36 0.57 1.80 1.02 -1.26 -0.54 118.68 122.72 2hgc s LEU 65 Ca 0.04 0.84 0.01 0.00 0.02 0.00 0.00 54.13 55.04 2hgc s LEU 65 Cb -0.10 -2.96 0.04 0.00 0.02 0.00 0.00 46.19 43.20 2hgc s LEU 65 CO 0.04 0.18 0.81 0.42 0.02 0.00 0.00 176.35 177.82 2hgc s THR 66 N -1.36 2.59 0.39 5.49 -4.23 -0.13 -4.89 115.64 113.49 2hgc s THR 66 Ca 0.32 -0.64 0.07 0.00 -1.18 0.00 0.00 61.69 60.27 2hgc s THR 66 Cb -0.14 -2.95 0.29 0.00 1.34 0.00 0.00 72.50 71.03 2hgc s THR 66 CO 0.17 0.00 1.99 -0.08 -0.54 0.00 0.00 174.62 176.17 2hgc h GLU 67 N -0.02 0.63 0.00 3.99 4.81 -1.90 0.25 114.58 122.34 2hgc h GLU 67 Ca -0.42 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 2hgc h GLU 67 Cb 1.30 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2hgc h GLU 67 CO 0.51 0.41 -0.04 -0.22 -0.73 0.00 0.00 179.01 178.95 2hgc h LYS 68 N 0.64 -0.08 -0.02 1.92 3.11 -1.89 0.38 116.57 120.63 2hgc h LYS 68 Ca 0.26 0.01 -0.22 0.00 -2.81 0.00 0.00 60.65 57.88 2hgc h LYS 68 Cb 0.20 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.45 2hgc h LYS 68 CO -0.08 -0.05 -0.90 0.78 -2.81 0.00 0.00 179.45 176.39 2hgc h GLY 69 N -0.08 0.46 1.49 5.01 0.00 -1.66 -2.84 103.07 105.46 2hgc h GLY 69 Ca 0.02 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 2hgc h GLY 69 CO -0.04 0.69 0.24 -2.09 0.00 0.00 0.00 176.54 175.34 2hgc h GLU 70 N 0.24 0.66 -0.03 4.80 4.22 -0.27 -0.33 114.58 123.88 2hgc h GLU 70 Ca -0.07 -0.07 -0.21 0.00 0.08 0.00 0.00 59.36 59.09 2hgc h GLU 70 Cb 1.53 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 2hgc h GLU 70 CO 0.16 0.51 -0.85 -0.91 -2.18 0.00 0.00 179.01 175.73 2hgc h ASN 71 N 0.67 0.46 -0.07 1.04 2.35 -0.93 -3.00 115.58 116.11 2hgc h ASN 71 Ca 0.17 -0.35 -0.04 0.00 -0.55 0.00 0.00 56.30 55.53 2hgc h ASN 71 Cb 0.05 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2hgc h ASN 71 CO -0.02 1.13 -0.06 0.22 -1.65 0.00 0.00 177.43 177.04 2hgc h TYR 72 N 0.22 0.31 -0.87 1.19 3.20 -1.05 -2.15 116.97 117.81 2hgc h TYR 72 Ca -0.06 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.84 2hgc h TYR 72 Cb 1.47 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.59 2hgc h TYR 72 CO 0.05 0.37 0.57 -0.07 -1.64 0.00 0.00 178.16 177.43 2hgc h LEU 73 N 0.29 0.88 -0.48 2.82 3.38 -0.95 -1.75 115.31 119.50 2hgc h LEU 73 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2hgc h LEU 73 Cb 0.30 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2hgc h LEU 73 CO 0.01 0.58 0.06 0.11 0.09 0.00 0.00 178.44 179.30 2hgc h LYS 74 N 1.01 0.81 -0.04 1.13 1.57 -1.39 0.56 116.57 120.23 2hgc h LYS 74 Ca 0.37 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2hgc h LYS 74 Cb 0.16 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 2hgc h LYS 74 CO -0.13 0.82 -0.02 0.93 -0.57 0.00 0.00 179.45 180.48 2hgc h GLU 75 N 0.68 0.08 -0.13 3.15 5.08 -1.38 -3.19 114.58 118.87 2hgc h GLU 75 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2hgc h GLU 75 Cb 0.41 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2hgc h GLU 75 CO 0.01 0.48 0.00 -1.71 -1.00 0.00 0.00 179.01 176.79 2hgc n ASN 76 N -4.83 1.70 0.00 1.42 4.05 -0.70 -4.16 115.26 112.75 2hgc n ASN 76 Ca -0.08 -1.66 0.05 0.00 0.45 0.00 0.00 54.58 53.34 2hgc n ASN 76 Cb 0.24 -0.08 0.31 0.00 1.23 0.00 0.00 39.78 41.49 2hgc n ASN 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2hgc n GLY 77 N 1.16 -0.36 0.83 8.20 0.00 0.19 -1.87 105.19 113.33 2hgc n GLY 77 Ca 0.17 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.18 2hgc n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2hgc n THR 78 N -0.95 0.72 -4.97 2.61 5.66 -1.26 -4.84 114.28 111.25 2hgc n THR 78 Ca 0.08 -0.57 -0.29 0.00 -3.05 0.00 0.00 64.05 60.23 2hgc n THR 78 Cb 0.04 0.13 -0.17 0.00 -1.55 0.00 0.00 70.33 68.78 2hgc n THR 78 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 2hgc s TRP 79 N -1.57 2.05 -0.36 1.09 -0.00 -0.78 -4.92 118.94 114.45 2hgc s TRP 79 Ca 0.27 -0.74 -0.16 0.00 -0.00 0.00 0.00 56.10 55.47 2hgc s TRP 79 Cb 0.15 -1.40 0.02 0.00 -0.00 0.00 0.00 33.47 32.25 2hgc s TRP 79 CO 0.16 -0.29 0.42 -1.13 -0.00 0.00 0.00 176.95 176.10 2hgc n SER 80 N 3.43 -7.28 -5.02 5.86 3.41 -1.26 -5.05 113.62 107.71 2hgc n SER 80 Ca -0.20 0.57 -0.21 0.00 -0.26 0.00 0.00 58.87 58.77 2hgc n SER 80 Cb 0.52 -4.14 0.05 0.00 -0.26 0.00 0.00 64.21 60.39 2hgc n SER 80 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2hgc s LYS 81 N -2.19 2.25 0.00 4.33 1.02 -1.26 -5.12 119.74 118.77 2hgc s LYS 81 Ca 0.20 -1.76 0.00 0.00 0.02 0.00 0.00 55.97 54.43 2hgc s LYS 81 Cb -0.04 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 2hgc s LYS 81 CO 0.72 -0.88 0.38 0.00 -0.92 0.00 0.00 175.35 174.64