#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 0.00 0.00 -0.35 7.99 -1.26 -4.28 117.00 119.11 2hgc n LEU 6 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.96 2hgc n LEU 6 Cb 0.00 0.02 0.19 0.00 -0.11 0.00 0.00 43.42 43.52 2hgc n LEU 6 CO 0.00 0.02 0.74 0.03 -1.51 0.00 0.00 177.39 176.66 2hgc h ARG 7 N 0.00 0.51 -0.92 3.23 2.47 -2.00 -0.92 114.38 116.76 2hgc h ARG 7 Ca -0.02 -0.19 0.05 0.00 -1.26 0.00 0.00 59.98 58.56 2hgc h ARG 7 Cb 1.03 -0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 29.26 2hgc h ARG 7 CO 0.00 0.72 0.59 -0.92 0.56 0.00 0.00 179.97 180.91 2hgc h TYR 8 N 0.45 1.09 -0.47 3.04 3.20 -1.98 -1.87 116.97 120.44 2hgc h TYR 8 Ca 0.07 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 2hgc h TYR 8 Cb 0.66 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2hgc h TYR 8 CO 0.02 0.58 0.22 0.00 -1.64 0.00 0.00 178.16 177.35 2hgc h ALA 9 N 1.41 1.51 -0.00 1.82 0.00 -1.37 0.29 119.26 122.91 2hgc h ALA 9 Ca 0.39 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 2hgc h ALA 9 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2hgc h ALA 9 CO -0.15 0.39 -0.70 0.82 0.00 0.00 0.00 179.25 179.60 2hgc h ILE 10 N 0.65 1.50 -0.38 0.00 2.04 -1.06 0.20 117.51 120.46 2hgc h ILE 10 Ca 0.16 -2.39 -0.09 0.00 1.00 0.00 0.00 64.86 63.55 2hgc h ILE 10 Cb 0.08 2.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 2hgc h ILE 10 CO -0.02 0.68 -0.12 -0.07 0.00 0.00 0.00 178.15 178.62 2hgc h LEU 11 N 0.02 0.66 0.25 1.44 4.07 -0.39 -2.64 115.31 118.72 2hgc h LEU 11 Ca -0.01 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.75 2hgc h LEU 11 Cb 1.25 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.81 2hgc h LEU 11 CO 0.09 0.81 -0.12 0.50 -1.08 0.00 0.00 178.44 178.64 2hgc h LYS 12 N 0.61 -0.32 -0.89 1.13 3.11 0.07 0.20 116.57 120.48 2hgc h LYS 12 Ca 0.11 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.97 2hgc h LYS 12 Cb 0.56 0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.82 2hgc h LYS 12 CO 0.04 -0.14 0.57 1.05 -2.81 0.00 0.00 179.45 178.15 2hgc h GLU 13 N -0.43 1.19 -0.07 1.90 4.11 -0.96 -2.62 114.58 117.71 2hgc h GLU 13 Ca -0.03 -0.09 -0.16 0.00 0.07 0.00 0.00 59.36 59.14 2hgc h GLU 13 Cb 0.32 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.32 2hgc h GLU 13 CO 0.06 0.81 -0.60 0.82 0.07 0.00 0.00 179.01 180.16 2hgc h ILE 14 N 1.22 1.37 -0.39 -1.06 2.04 -1.39 0.11 117.51 119.40 2hgc h ILE 14 Ca 0.32 -1.95 0.01 0.00 1.00 0.00 0.00 64.86 64.24 2hgc h ILE 14 Cb -0.10 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 2hgc h ILE 14 CO -0.07 0.58 0.25 0.15 0.00 0.00 0.00 178.15 179.07 2hgc h PHE 15 N 0.11 0.47 0.00 1.37 3.57 -0.73 -1.54 116.94 120.20 2hgc h PHE 15 Ca -0.06 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.25 2hgc h PHE 15 Cb 1.27 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 2hgc h PHE 15 CO 0.12 0.29 -1.68 -0.85 -2.23 0.00 0.00 178.31 173.96 2hgc n GLU 16 N -4.83 0.64 0.19 1.11 0.28 -1.01 -4.16 120.64 112.87 2hgc n GLU 16 Ca 0.01 0.15 0.07 0.00 -0.16 0.00 0.00 57.16 57.23 2hgc n GLU 16 Cb 0.04 -1.73 0.30 0.00 1.43 0.00 0.00 31.44 31.48 2hgc n GLU 16 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2hgc h GLY 17 N 3.77 0.00 0.00 -1.84 0.00 -0.69 -3.46 103.07 100.84 2hgc h GLY 17 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2hgc h GLY 17 CO 0.04 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.57 2hgc n ASN 18 N -3.35 0.00 -1.34 0.19 2.85 -0.59 -4.86 115.26 108.17 2hgc n ASN 18 Ca 0.01 0.00 0.17 0.00 -0.11 0.00 0.00 54.58 54.64 2hgc n ASN 18 Cb 0.53 -0.08 -0.08 0.00 1.24 0.00 0.00 39.78 41.39 2hgc n ASN 18 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2hgc n THR 19 N -1.80 -0.60 -2.73 -0.44 -2.24 -1.26 -4.74 114.28 100.48 2hgc n THR 19 Ca 0.00 0.75 -0.33 0.00 -2.27 0.00 0.00 64.05 62.20 2hgc n THR 19 Cb 0.00 -1.20 -0.06 0.00 -2.10 0.00 0.00 70.33 66.97 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 -3.87 4.14 0.03 -0.78 0.04 -1.25 -4.24 135.00 129.07 2hgc s PRO 20 Ca 0.00 1.12 0.04 0.00 0.04 0.00 0.00 61.00 62.19 2hgc s PRO 20 Cb 0.00 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 2hgc s PRO 20 CO 0.00 -0.11 -0.11 -0.48 0.04 0.00 0.00 177.00 176.34 2hgc s LEU 21 N -3.35 2.16 0.61 -3.56 2.34 -1.26 -5.04 118.68 110.59 2hgc s LEU 21 Ca 0.62 -0.41 -0.06 0.00 0.06 0.00 0.00 54.13 54.33 2hgc s LEU 21 Cb -0.10 -0.43 0.01 0.00 -0.56 0.00 0.00 46.19 45.11 2hgc s LEU 21 CO 0.16 -0.02 0.92 -0.44 -1.06 0.00 0.00 176.35 175.92 2hgc s SER 22 N -1.06 5.51 0.49 1.48 0.01 -1.26 -4.96 113.70 113.91 2hgc s SER 22 Ca -0.01 0.71 0.19 0.00 1.31 0.00 0.00 55.95 58.15 2hgc s SER 22 Cb -0.07 -1.66 1.24 0.00 0.21 0.00 0.00 66.02 65.73 2hgc s SER 22 CO 0.01 -1.13 2.07 1.05 0.41 0.00 0.00 173.24 175.65 2hgc h GLU 23 N -0.24 0.00 0.00 12.44 -0.00 -1.96 -0.72 114.58 124.10 2hgc h GLU 23 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 2hgc h GLU 23 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.01 2hgc h GLU 23 CO 0.61 0.11 0.00 0.27 -0.00 0.00 0.00 179.01 180.00 2hgc n ASN 24 N -4.18 0.02 -0.09 3.06 2.04 -1.26 -0.97 115.26 113.88 2hgc n ASN 24 Ca -0.03 0.50 -0.18 0.00 -0.44 0.00 0.00 54.58 54.44 2hgc n ASN 24 Cb 0.19 -0.51 -0.12 0.00 -2.53 0.00 0.00 39.78 36.81 2hgc n ASN 24 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 2hgc h ASP 25 N 0.00 0.00 0.30 0.53 3.32 -1.48 -3.39 116.42 115.70 2hgc h ASP 25 Ca 0.00 -0.73 -0.30 0.00 0.02 0.00 0.00 57.03 56.01 2hgc h ASP 25 Cb 0.27 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.85 2hgc h ASP 25 CO 0.00 1.26 -1.31 -0.29 -1.72 0.00 0.00 179.24 177.19 2hgc h ILE 26 N -1.00 1.34 0.00 0.35 -0.00 -1.56 -3.48 117.51 113.15 2hgc h ILE 26 Ca -0.19 -2.67 0.00 0.00 -0.00 0.00 0.00 64.86 62.00 2hgc h ILE 26 Cb 1.16 2.85 0.00 0.00 -0.00 0.00 0.00 36.82 40.83 2hgc h ILE 26 CO -0.11 0.80 0.00 0.61 -0.00 0.00 0.00 178.15 179.45 2hgc n GLY 27 N 1.49 1.74 3.89 8.18 0.00 -0.14 -5.11 105.19 115.24 2hgc n GLY 27 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 4.83 0.56 1.61 -7.23 -1.21 -4.96 120.40 112.00 2hgc s VAL 28 Ca 0.00 0.47 -0.07 0.00 -1.81 0.00 0.00 61.98 60.57 2hgc s VAL 28 Cb 0.00 -3.79 -0.02 0.00 0.56 0.00 0.00 36.38 33.13 2hgc s VAL 28 CO 0.00 -0.69 0.89 0.28 -0.31 0.00 0.00 175.10 175.27 2hgc s THR 29 N -2.57 4.28 0.17 5.32 -1.32 -1.26 -4.41 115.64 115.85 2hgc s THR 29 Ca 0.50 0.26 -0.17 0.00 -1.21 0.00 0.00 61.69 61.06 2hgc s THR 29 Cb -0.10 -3.68 0.11 0.00 -1.51 0.00 0.00 72.50 67.32 2hgc s THR 29 CO 0.38 -0.73 1.65 -0.33 -2.21 0.00 0.00 174.62 173.39 2hgc h GLU 30 N -0.09 -0.04 -0.88 7.08 5.08 -1.98 0.14 114.58 123.90 2hgc h GLU 30 Ca -0.46 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.01 2hgc h GLU 30 Cb 1.23 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.41 2hgc h GLU 30 CO 0.61 -0.02 0.52 0.38 -1.00 0.00 0.00 179.01 179.50 2hgc h ASP 31 N -0.04 0.76 0.82 1.42 3.04 -1.99 0.51 116.42 120.94 2hgc h ASP 31 Ca 0.20 0.05 -0.23 0.00 -3.24 0.00 0.00 57.03 53.81 2hgc h ASP 31 Cb 0.35 -0.10 -0.01 0.00 -1.04 0.00 0.00 39.33 38.52 2hgc h ASP 31 CO -0.45 0.43 -1.08 1.56 -2.04 0.00 0.00 179.24 177.65 2hgc h GLN 32 N 0.86 0.12 0.18 4.15 4.20 -1.78 -2.60 115.11 120.24 2hgc h GLN 32 Ca 0.43 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 2hgc h GLN 32 Cb 0.39 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2hgc h GLN 32 CO -0.25 1.08 -0.09 0.35 -0.67 0.00 0.00 178.83 179.25 2hgc h PHE 33 N 0.04 -0.23 -0.39 2.96 3.57 0.49 -1.32 116.94 122.06 2hgc h PHE 33 Ca -0.06 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.44 2hgc h PHE 33 Cb 1.83 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 40.62 2hgc h PHE 33 CO 0.03 0.12 0.24 -0.44 -2.23 0.00 0.00 178.31 176.03 2hgc h ASP 34 N -0.62 0.41 -0.82 0.41 5.19 -0.18 -0.65 116.42 120.16 2hgc h ASP 34 Ca -0.03 -0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.46 2hgc h ASP 34 Cb 0.45 -0.09 -0.07 0.00 0.18 0.00 0.00 39.33 39.80 2hgc h ASP 34 CO 0.04 0.29 0.48 -0.78 -3.12 0.00 0.00 179.24 176.16 2hgc h ASP 35 N 0.49 0.72 0.07 6.45 3.58 -1.47 -0.69 116.42 125.57 2hgc h ASP 35 Ca 0.15 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 2hgc h ASP 35 Cb -0.02 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2hgc h ASP 35 CO -0.05 0.43 -0.03 0.00 -2.88 0.00 0.00 179.24 176.71 2hgc h ALA 36 N 1.43 -0.09 -0.59 -0.78 0.00 -0.66 -0.32 119.26 118.24 2hgc h ALA 36 Ca 0.38 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.20 2hgc h ALA 36 Cb 0.29 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2hgc h ALA 36 CO -0.22 -0.44 0.36 0.28 0.00 0.00 0.00 179.25 179.23 2hgc h VAL 37 N -0.32 1.05 -0.11 0.00 2.07 -0.76 0.11 116.25 118.29 2hgc h VAL 37 Ca -0.01 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2hgc h VAL 37 Cb 0.28 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2hgc h VAL 37 CO 0.02 0.13 0.06 0.78 0.02 0.00 0.00 177.57 178.58 2hgc h ASN 38 N 0.70 0.14 -0.55 0.57 2.35 -1.09 -0.48 115.58 117.22 2hgc h ASN 38 Ca 0.24 -0.07 0.06 0.00 -0.55 0.00 0.00 56.30 55.99 2hgc h ASN 38 Cb 0.04 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 2hgc h ASN 38 CO -0.11 0.17 0.25 0.15 -1.65 0.00 0.00 177.43 176.24 2hgc h PHE 39 N 0.10 0.45 -0.63 1.19 3.57 -0.47 0.10 116.94 121.26 2hgc h PHE 39 Ca 0.04 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 2hgc h PHE 39 Cb 0.06 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 2hgc h PHE 39 CO -0.05 0.19 0.02 -0.07 -2.23 0.00 0.00 178.31 176.17 2hgc h LEU 40 N 0.48 1.06 -0.96 0.59 3.38 -0.63 -2.70 115.31 116.54 2hgc h LEU 40 Ca 0.26 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2hgc h LEU 40 Cb 0.22 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2hgc h LEU 40 CO -0.21 1.10 -0.46 0.50 0.09 0.00 0.00 178.44 179.45 2hgc h LYS 41 N 1.00 0.13 0.80 1.13 3.11 -0.42 0.23 116.57 122.53 2hgc h LYS 41 Ca 0.18 -0.07 -0.04 0.00 -2.81 0.00 0.00 60.65 57.92 2hgc h LYS 41 Cb 0.54 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.78 2hgc h LYS 41 CO 0.03 0.57 -0.38 0.00 -2.81 0.00 0.00 179.45 176.85 2hgc h ARG 42 N 0.11 -1.03 0.00 1.90 3.08 -0.50 -3.12 114.38 114.81 2hgc h ARG 42 Ca 0.01 0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 2hgc h ARG 42 Cb 0.86 0.23 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 2hgc h ARG 42 CO 0.07 -0.67 -0.29 0.93 -1.07 0.00 0.00 179.97 178.93 2hgc h GLU 43 N -1.16 0.00 -0.46 0.04 5.08 -1.53 -3.47 114.58 113.08 2hgc h GLU 43 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2hgc h GLU 43 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2hgc h GLU 43 CO 0.18 0.29 0.00 0.41 -1.00 0.00 0.00 179.01 178.89 2hgc n GLY 44 N 0.43 0.60 0.11 -3.84 0.00 -0.12 -5.03 105.19 97.34 2hgc n GLY 44 Ca 0.01 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 0.75 -4.04 1.61 4.01 0.61 -4.41 117.16 115.47 2hgc n TYR 45 Ca 0.00 0.21 -0.12 0.00 -0.16 0.00 0.00 57.90 57.83 2hgc n TYR 45 Cb 0.10 -1.12 -0.12 0.00 -0.31 0.00 0.00 39.34 37.90 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 -2.55 0.37 0.36 -0.72 -5.25 -1.25 -0.97 121.20 111.19 2hgc s ILE 46 Ca -0.16 -0.89 0.04 0.00 -0.99 0.00 0.00 60.65 58.65 2hgc s ILE 46 Cb 0.07 -0.45 -0.03 0.00 2.95 0.00 0.00 42.46 45.00 2hgc s ILE 46 CO 0.77 -0.35 0.16 0.27 -1.79 0.00 0.00 174.94 174.00 2hgc s ILE 47 N -1.21 0.47 0.00 8.37 -0.00 0.51 -4.35 121.20 125.00 2hgc s ILE 47 Ca -0.10 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.55 2hgc s ILE 47 Cb -0.09 -2.44 0.00 0.00 -0.00 0.00 0.00 42.46 39.94 2hgc s ILE 47 CO -0.00 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.55 2hgc n GLY 48 N -0.77 0.75 3.74 6.27 0.00 -1.25 -0.34 105.19 113.59 2hgc n GLY 48 Ca -0.02 0.00 -0.41 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 -2.66 3.38 -0.25 1.61 1.01 -1.26 -3.74 120.40 118.50 2hgc s VAL 49 Ca 0.00 1.16 -0.07 0.00 0.00 0.00 0.00 61.98 63.07 2hgc s VAL 49 Cb 0.00 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2hgc s VAL 49 CO 0.00 0.19 0.06 -1.00 0.00 0.00 0.00 175.10 174.34 2hgc s HIS 50 N -0.04 3.07 0.38 5.22 3.76 -1.14 -4.98 115.29 121.56 2hgc s HIS 50 Ca 0.54 -0.48 -0.01 0.00 -0.15 0.00 0.00 55.06 54.96 2hgc s HIS 50 Cb -0.34 -2.22 -0.03 0.00 1.11 0.00 0.00 32.58 31.09 2hgc s HIS 50 CO 0.38 -0.38 0.61 0.71 -0.85 0.00 0.00 174.74 175.21 2hgc s TYR 51 N 1.60 3.51 -0.55 1.40 1.51 -1.26 0.06 117.35 123.63 2hgc s TYR 51 Ca 0.06 0.46 0.04 0.00 -1.01 0.00 0.00 57.07 56.62 2hgc s TYR 51 Cb -0.15 -2.00 0.39 0.00 -0.11 0.00 0.00 41.96 40.10 2hgc s TYR 51 CO 0.03 0.02 1.25 0.43 -1.11 0.00 0.00 175.55 176.17 2hgc n SER 52 N -1.91 5.21 0.00 2.29 7.64 -0.29 -4.87 113.62 121.68 2hgc n SER 52 Ca -0.03 -3.73 0.00 0.00 1.01 0.00 0.00 58.87 56.11 2hgc n SER 52 Cb 0.56 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2hgc n SER 52 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2hgc n ASP 53 N -0.44 -4.98 0.01 6.43 9.92 -1.26 -4.30 116.55 121.93 2hgc n ASP 53 Ca 0.40 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.66 2hgc n ASP 53 Cb 0.54 -2.70 0.00 0.00 -0.64 0.00 0.00 41.12 38.32 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 -0.71 -0.10 -4.83 -2.24 2.03 -1.26 -5.14 116.55 104.30 2hgc n ASP 54 Ca 0.00 0.03 -0.38 0.00 0.52 0.00 0.00 54.79 54.96 2hgc n ASP 54 Cb 0.35 0.41 -0.06 0.00 -0.72 0.00 0.00 41.12 41.11 2hgc n ASP 54 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2hgc s ARG 55 N -1.04 4.02 0.29 -0.67 0.52 -1.26 -5.06 118.95 115.75 2hgc s ARG 55 Ca 0.00 0.53 -0.29 0.00 -0.52 0.00 0.00 55.73 55.44 2hgc s ARG 55 Cb 0.00 -3.20 -0.10 0.00 0.52 0.00 0.00 34.95 32.17 2hgc s ARG 55 CO 0.00 0.65 1.15 -1.25 0.02 0.00 0.00 175.30 175.88 2hgc s PRO 56 N -1.18 4.57 0.04 3.54 0.04 -1.26 -1.14 135.00 139.60 2hgc s PRO 56 Ca 0.27 1.91 0.05 0.00 0.04 0.00 0.00 61.00 63.27 2hgc s PRO 56 Cb -0.17 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 2hgc s PRO 56 CO 0.16 0.11 -0.15 -1.01 0.04 0.00 0.00 177.00 176.15 2hgc s HIS 57 N -1.14 1.31 -0.00 0.56 3.76 0.11 -4.93 115.29 114.96 2hgc s HIS 57 Ca 0.46 -0.36 -0.00 0.00 -0.15 0.00 0.00 55.06 55.01 2hgc s HIS 57 Cb -0.34 -0.78 -0.04 0.00 1.11 0.00 0.00 32.58 32.53 2hgc s HIS 57 CO 0.44 0.04 0.09 -0.51 -0.85 0.00 0.00 174.74 173.95 2hgc s LEU 58 N -1.14 3.92 0.36 0.89 1.43 -1.26 -2.88 118.68 119.99 2hgc s LEU 58 Ca 0.02 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 2hgc s LEU 58 Cb -0.08 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 2hgc s LEU 58 CO 0.01 0.27 0.11 -0.31 0.23 0.00 0.00 176.35 176.66 2hgc s TYR 59 N -1.21 1.80 0.13 0.29 1.51 -1.26 -4.58 117.35 114.04 2hgc s TYR 59 Ca 0.23 -1.18 -0.12 0.00 -1.01 0.00 0.00 57.07 55.00 2hgc s TYR 59 Cb -0.12 -1.15 -0.06 0.00 -0.11 0.00 0.00 41.96 40.52 2hgc s TYR 59 CO 0.14 -0.22 1.45 0.87 -1.11 0.00 0.00 175.55 176.69 2hgc h LYS 60 N 1.99 0.90 -4.47 -0.62 1.57 -1.85 -3.34 116.57 110.75 2hgc h LYS 60 Ca -0.37 -0.49 -0.71 0.00 -1.87 0.00 0.00 60.65 57.20 2hgc h LYS 60 Cb 1.26 0.03 -0.28 0.00 0.08 0.00 0.00 32.23 33.32 2hgc h LYS 60 CO 0.61 1.14 -0.48 -1.17 -0.57 0.00 0.00 179.45 178.99 2hgc s LEU 61 N -8.86 5.10 0.00 2.94 0.20 -1.26 -4.74 118.68 112.06 2hgc s LEU 61 Ca -0.11 -1.47 0.00 0.00 0.69 0.00 0.00 54.13 53.24 2hgc s LEU 61 Cb 0.11 -1.98 0.00 0.00 -0.43 0.00 0.00 46.19 43.88 2hgc s LEU 61 CO 0.88 -0.52 0.00 0.61 -0.29 0.00 0.00 176.35 177.03 2hgc n GLY 62 N 4.91 -1.49 3.60 7.98 0.00 -1.26 -5.06 105.19 113.87 2hgc n GLY 62 Ca -0.10 0.54 -0.43 0.00 0.00 0.00 0.00 46.02 46.04 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 3.07 0.11 1.61 0.02 -1.25 -3.90 135.00 134.66 2hgc s PRO 63 Ca 0.00 2.00 0.10 0.00 0.02 0.00 0.00 61.00 63.12 2hgc s PRO 63 Cb 0.00 -4.39 -0.04 0.00 0.02 0.00 0.00 34.50 30.10 2hgc s PRO 63 CO 0.00 -2.18 -0.26 -1.21 -0.33 0.00 0.00 177.00 173.02 2hgc s GLU 64 N 6.46 1.45 -0.16 5.54 2.02 0.54 -4.96 118.70 129.60 2hgc s GLU 64 Ca 1.01 -1.28 -0.10 0.00 0.02 0.00 0.00 54.97 54.61 2hgc s GLU 64 Cb -0.32 -1.87 -0.05 0.00 0.10 0.00 0.00 34.13 31.99 2hgc s GLU 64 CO 0.35 0.45 0.19 -0.51 0.02 0.00 0.00 175.26 175.75 2hgc s LEU 65 N -1.88 4.28 0.98 1.80 1.02 -1.26 -0.36 118.68 123.26 2hgc s LEU 65 Ca 0.13 0.41 -0.16 0.00 0.02 0.00 0.00 54.13 54.52 2hgc s LEU 65 Cb -0.10 -2.18 0.21 0.00 0.02 0.00 0.00 46.19 44.14 2hgc s LEU 65 CO 0.05 0.23 1.34 0.42 0.02 0.00 0.00 176.35 178.41 2hgc s THR 66 N -0.09 2.00 0.19 5.49 -4.23 -0.14 -4.78 115.64 114.07 2hgc s THR 66 Ca 0.13 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.55 2hgc s THR 66 Cb -0.12 -3.00 0.09 0.00 1.34 0.00 0.00 72.50 70.81 2hgc s THR 66 CO 0.02 0.00 1.67 -0.08 -0.54 0.00 0.00 174.62 175.69 2hgc h GLU 67 N -1.71 1.10 -0.60 3.99 4.81 -1.88 0.21 114.58 120.50 2hgc h GLU 67 Ca -0.44 -0.32 0.02 0.00 -0.13 0.00 0.00 59.36 58.48 2hgc h GLU 67 Cb 1.22 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 2hgc h GLU 67 CO 0.35 1.03 0.39 -0.22 -0.73 0.00 0.00 179.01 179.83 2hgc h LYS 68 N 1.01 0.75 -0.19 1.92 3.64 -1.90 -0.64 116.57 121.17 2hgc h LYS 68 Ca 0.19 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.37 2hgc h LYS 68 Cb 0.50 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2hgc h LYS 68 CO 0.02 0.50 -0.53 0.78 -2.27 0.00 0.00 179.45 177.95 2hgc h GLY 69 N 0.77 0.59 0.94 5.01 0.00 -1.63 -2.19 103.07 106.57 2hgc h GLY 69 Ca 0.23 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 2hgc h GLY 69 CO -0.07 0.61 0.17 -2.09 0.00 0.00 0.00 176.54 175.15 2hgc h GLU 70 N 0.42 0.58 -0.06 4.80 4.81 -0.11 0.14 114.58 125.16 2hgc h GLU 70 Ca 0.01 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 2hgc h GLU 70 Cb 1.07 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2hgc h GLU 70 CO 0.10 0.54 -0.39 -0.91 -0.73 0.00 0.00 179.01 177.62 2hgc h ASN 71 N 0.49 0.13 -0.02 1.04 2.35 -1.15 -2.79 115.58 115.63 2hgc h ASN 71 Ca 0.13 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 2hgc h ASN 71 Cb 0.17 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 2hgc h ASN 71 CO -0.01 0.51 -0.27 0.22 -1.65 0.00 0.00 177.43 176.22 2hgc h TYR 72 N 0.11 0.51 -0.73 1.19 3.20 -0.72 -2.98 116.97 117.56 2hgc h TYR 72 Ca 0.01 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 61.80 2hgc h TYR 72 Cb 0.74 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.84 2hgc h TYR 72 CO 0.01 0.69 0.46 -0.07 -1.64 0.00 0.00 178.16 177.60 2hgc h LEU 73 N 0.40 0.75 -0.35 2.82 3.38 -0.70 -2.57 115.31 119.04 2hgc h LEU 73 Ca 0.06 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2hgc h LEU 73 Cb 0.69 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2hgc h LEU 73 CO 0.05 0.52 0.06 0.50 0.09 0.00 0.00 178.44 179.66 2hgc h LYS 74 N 0.89 0.58 0.24 1.13 3.64 -1.54 0.52 116.57 122.03 2hgc h LYS 74 Ca 0.29 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2hgc h LYS 74 Cb 0.02 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2hgc h LYS 74 CO -0.11 0.65 -0.11 0.93 -2.27 0.00 0.00 179.45 178.54 2hgc h GLU 75 N 0.42 -0.31 -0.27 1.90 4.39 -1.44 -3.09 114.58 116.18 2hgc h GLU 75 Ca 0.11 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2hgc h GLU 75 Cb 0.35 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2hgc h GLU 75 CO 0.01 -0.01 0.00 -1.71 -1.16 0.00 0.00 179.01 176.14 2hgc n ASN 76 N -5.10 2.20 0.17 1.42 5.15 -0.99 -4.14 115.26 113.97 2hgc n ASN 76 Ca -0.09 -1.83 0.12 0.00 -0.60 0.00 0.00 54.58 52.17 2hgc n ASN 76 Cb 0.23 -0.17 0.61 0.00 -0.53 0.00 0.00 39.78 39.92 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 4.92 0.00 -1.81 8.20 0.00 -0.79 -0.27 103.07 113.31 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 -0.37 0.00 0.00 0.00 176.54 176.17 2hgc n THR 78 N -2.30 0.80 -2.03 4.70 5.66 -1.26 -4.95 114.28 114.90 2hgc n THR 78 Ca -0.01 -0.64 -0.41 0.00 -3.05 0.00 0.00 64.05 59.94 2hgc n THR 78 Cb 0.05 0.17 -0.02 0.00 -1.55 0.00 0.00 70.33 68.99 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 -1.53 2.94 -0.25 1.09 -0.00 -0.11 -4.95 118.94 116.12 2hgc s TRP 79 Ca 0.30 1.31 -0.29 0.00 -0.00 0.00 0.00 56.10 57.42 2hgc s TRP 79 Cb 0.17 -3.77 -0.01 0.00 -0.00 0.00 0.00 33.47 29.86 2hgc s TRP 79 CO 0.18 -2.22 1.36 -1.12 -0.00 0.00 0.00 176.95 175.15 2hgc s SER 80 N -0.30 6.68 0.00 5.86 0.01 -1.26 -5.01 113.70 119.68 2hgc s SER 80 Ca 0.51 1.41 0.00 0.00 1.31 0.00 0.00 55.95 59.18 2hgc s SER 80 Cb -0.42 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.28 2hgc s SER 80 CO 0.54 -1.04 0.00 0.29 0.41 0.00 0.00 173.24 173.44 2hgc n LYS 81 N 7.22 2.71 0.00 12.44 5.02 -1.26 -5.13 118.16 139.16 2hgc n LYS 81 Ca 0.15 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.49 2hgc n LYS 81 Cb 0.46 0.00 0.30 0.00 -0.02 0.00 0.00 35.03 35.77 2hgc n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88