#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hbg s LEU 2 N 0.00 3.67 0.82 0.99 1.43 -1.26 -5.04 118.68 119.28 1hbg s LEU 2 Ca 0.00 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.95 1hbg s LEU 2 Cb 0.00 -2.28 0.09 0.00 0.03 0.00 0.00 46.19 44.03 1hbg s LEU 2 CO 0.00 0.21 1.18 -0.94 0.23 0.00 0.00 176.35 177.04 1hbg s SER 3 N -2.09 4.41 0.36 2.29 1.04 -1.26 -4.80 113.70 113.65 1hbg s SER 3 Ca 0.25 0.72 0.05 0.00 0.48 0.00 0.00 55.95 57.46 1hbg s SER 3 Cb -0.12 -1.19 0.68 0.00 0.10 0.00 0.00 66.02 65.49 1hbg s SER 3 CO 0.17 -1.96 1.92 0.00 0.98 0.00 0.00 173.24 174.35 1hbg h ALA 4 N -1.08 1.46 -0.37 5.32 0.00 -2.00 -0.31 119.26 122.28 1hbg h ALA 4 Ca -0.46 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1hbg h ALA 4 Cb 1.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1hbg h ALA 4 CO 0.64 0.39 0.17 0.00 0.00 0.00 0.00 179.25 180.45 1hbg h ALA 5 N 1.57 0.48 -0.40 0.00 0.00 -2.00 -1.62 119.26 117.29 1hbg h ALA 5 Ca 0.11 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1hbg h ALA 5 Cb 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1hbg h ALA 5 CO 0.00 0.05 0.05 1.96 0.00 0.00 0.00 179.25 181.31 1hbg h GLN 6 N 0.45 0.67 -0.89 0.00 4.20 -1.82 -2.70 115.11 115.02 1hbg h GLN 6 Ca 0.13 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.66 1hbg h GLN 6 Cb 0.14 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 1hbg h GLN 6 CO -0.01 0.73 0.59 0.00 -0.67 0.00 0.00 178.83 179.46 1hbg h ARG 7 N 0.51 1.13 -0.32 1.46 3.08 -0.83 -1.68 114.38 117.73 1hbg h ARG 7 Ca 0.12 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1hbg h ARG 7 Cb 0.40 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1hbg h ARG 7 CO 0.01 0.75 0.19 0.37 -1.07 0.00 0.00 179.97 180.22 1hbg h GLN 8 N 1.17 0.44 -0.57 0.04 5.75 -1.12 -1.26 115.11 119.56 1hbg h GLN 8 Ca 0.34 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.72 1hbg h GLN 8 Cb -0.08 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 1hbg h GLN 8 CO -0.08 0.35 0.08 0.28 -2.65 0.00 0.00 178.83 176.81 1hbg h VAL 9 N 0.40 1.26 -0.16 2.39 2.07 -1.15 -2.18 116.25 118.88 1hbg h VAL 9 Ca 0.11 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1hbg h VAL 9 Cb 0.03 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1hbg h VAL 9 CO -0.02 0.36 0.07 0.40 0.02 0.00 0.00 177.57 178.40 1hbg h ILE 10 N 0.84 1.15 -0.44 4.57 1.08 -1.19 -0.66 117.51 122.86 1hbg h ILE 10 Ca 0.17 -0.44 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1hbg h ILE 10 Cb 0.43 1.14 -0.02 0.00 -3.07 0.00 0.00 36.82 35.30 1hbg h ILE 10 CO 0.01 0.14 0.29 0.00 -0.69 0.00 0.00 178.15 177.90 1hbg h ALA 11 N 0.92 0.56 -0.07 1.87 0.00 -1.21 0.22 119.26 121.55 1hbg h ALA 11 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1hbg h ALA 11 Cb 0.16 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1hbg h ALA 11 CO -0.01 0.03 0.01 0.00 0.00 0.00 0.00 179.25 179.28 1hbg h ALA 12 N 1.15 0.10 0.00 0.00 0.00 -1.30 -3.13 119.26 116.08 1hbg h ALA 12 Ca 0.16 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1hbg h ALA 12 Cb -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1hbg h ALA 12 CO -0.03 -0.25 -0.44 1.79 0.00 0.00 0.00 179.25 180.32 1hbg h THR 13 N -0.14 1.09 -0.93 0.00 1.35 -1.07 -2.96 112.91 110.25 1hbg h THR 13 Ca 0.02 -1.63 0.06 0.00 -0.55 0.00 0.00 66.41 64.31 1hbg h THR 13 Cb 0.31 1.94 -0.06 0.00 -1.73 0.00 0.00 68.15 68.60 1hbg h THR 13 CO 0.00 0.43 0.61 -0.25 -0.25 0.00 0.00 175.52 176.06 1hbg h TRP 14 N 0.00 1.10 -1.00 4.73 2.91 -0.89 0.04 115.95 122.85 1hbg h TRP 14 Ca -0.00 0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.10 1hbg h TRP 14 Cb 0.90 -0.36 -0.07 0.00 -0.51 0.00 0.00 29.16 29.12 1hbg h TRP 14 CO 0.00 0.59 0.64 0.87 -1.03 0.00 0.00 178.44 179.52 1hbg h LYS 15 N 1.10 1.15 0.03 2.65 1.57 -1.53 0.23 116.57 121.77 1hbg h LYS 15 Ca 0.39 -0.07 -0.22 0.00 -1.87 0.00 0.00 60.65 58.88 1hbg h LYS 15 Cb 0.14 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1hbg h LYS 15 CO -0.14 0.76 -1.03 -0.44 -0.57 0.00 0.00 179.45 178.03 1hbg h ASP 16 N 1.19 0.11 -0.38 0.86 3.32 -1.38 -2.91 116.42 117.23 1hbg h ASP 16 Ca 0.42 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 57.22 1hbg h ASP 16 Cb 0.13 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1hbg h ASP 16 CO -0.16 1.07 -0.25 0.40 -1.72 0.00 0.00 179.24 178.57 1hbg h ILE 17 N 0.02 1.27 -0.12 0.35 2.04 -0.43 -3.00 117.51 117.64 1hbg h ILE 17 Ca -0.04 -1.41 -0.09 0.00 1.00 0.00 0.00 64.86 64.32 1hbg h ILE 17 Cb 1.77 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 1hbg h ILE 17 CO 0.15 0.48 -0.34 0.00 0.00 0.00 0.00 178.15 178.43 1hbg h ALA 18 N 0.94 1.21 -0.68 1.87 0.00 -0.59 -3.36 119.26 118.66 1hbg h ALA 18 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1hbg h ALA 18 Cb 0.81 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1hbg h ALA 18 CO 0.07 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1hbg n GLY 19 N -0.36 2.92 1.04 0.00 0.00 -1.10 -0.91 105.19 106.78 1hbg n GLY 19 Ca -0.01 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 45.86 1hbg n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hbg n ALA 20 N 9.23 3.55 -2.13 4.61 0.00 -1.26 -4.48 120.51 130.03 1hbg n ALA 20 Ca 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.83 1hbg n ALA 20 Cb 0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 19.45 18.69 1hbg n ALA 20 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1hbg n ASP 21 N -0.75 0.18 -4.12 0.00 5.75 -1.08 -5.00 116.55 111.54 1hbg n ASP 21 Ca 0.27 -1.84 -0.34 0.00 -0.01 0.00 0.00 54.79 52.87 1hbg n ASP 21 Cb 0.98 -0.15 -0.01 0.00 -1.03 0.00 0.00 41.12 40.91 1hbg n ASP 21 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1hbg n ASN 22 N 0.13 -3.72 0.00 -1.12 4.05 -0.69 -1.27 115.26 112.64 1hbg n ASN 22 Ca -0.01 -0.94 0.00 0.00 0.45 0.00 0.00 54.58 54.09 1hbg n ASN 22 Cb 0.79 -3.14 0.00 0.00 1.23 0.00 0.00 39.78 38.66 1hbg n ASN 22 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1hbg n GLY 23 N -1.51 0.41 0.35 8.20 0.00 -0.08 -4.35 105.19 108.20 1hbg n GLY 23 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1hbg n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hbg h ALA 24 N 0.00 1.45 -0.14 4.61 0.00 -1.47 -0.79 119.26 122.93 1hbg h ALA 24 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1hbg h ALA 24 Cb 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1hbg h ALA 24 CO 0.00 0.50 -0.34 0.78 0.00 0.00 0.00 179.25 180.19 1hbg h GLY 25 N 1.02 0.30 1.05 0.00 0.00 -1.92 0.24 103.07 103.76 1hbg h GLY 25 Ca 0.27 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.21 1hbg h GLY 25 CO -0.06 0.24 -0.30 -2.08 0.00 0.00 0.00 176.54 174.34 1hbg h VAL 26 N 0.24 1.28 -0.63 4.60 2.07 -1.58 -1.79 116.25 120.45 1hbg h VAL 26 Ca 0.03 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 66.01 1hbg h VAL 26 Cb 0.72 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 1hbg h VAL 26 CO 0.05 0.48 0.11 1.23 0.02 0.00 0.00 177.57 179.47 1hbg h GLY 27 N 0.63 1.09 0.89 2.17 0.00 -0.71 -0.21 103.07 106.93 1hbg h GLY 27 Ca 0.06 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.62 1hbg h GLY 27 CO 0.08 0.65 -0.11 1.70 0.00 0.00 0.00 176.54 178.86 1hbg h LYS 28 N 0.95 0.57 -0.32 4.80 3.64 -0.79 -2.05 116.57 123.38 1hbg h LYS 28 Ca 0.19 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1hbg h LYS 28 Cb 0.40 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1hbg h LYS 28 CO 0.01 0.80 0.15 -0.22 -2.27 0.00 0.00 179.45 177.91 1hbg h LYS 29 N 0.33 0.47 -0.13 1.90 3.64 -1.22 -0.57 116.57 121.00 1hbg h LYS 29 Ca 0.07 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1hbg h LYS 29 Cb 0.61 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 1hbg h LYS 29 CO 0.04 0.45 -0.09 0.00 -2.27 0.00 0.00 179.45 177.57 1hbg h LEU 31 N -0.10 0.48 0.15 0.00 -0.00 -1.29 -1.18 115.31 113.37 1hbg h LEU 31 Ca 0.08 -0.35 -0.01 0.00 -0.00 0.00 0.00 57.88 57.60 1hbg h LEU 31 Cb 0.21 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 1hbg h LEU 31 CO -0.19 1.13 -0.07 0.40 -0.00 0.00 0.00 178.44 179.71 1hbg h ILE 32 N 0.23 0.93 -0.63 1.22 2.04 -0.98 -1.32 117.51 119.01 1hbg h ILE 32 Ca -0.05 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 1hbg h ILE 32 Cb 1.46 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.64 1hbg h ILE 32 CO 0.14 0.08 0.27 0.11 0.00 0.00 0.00 178.15 178.75 1hbg h LYS 33 N -0.35 0.91 -0.33 2.37 1.57 -1.23 0.25 116.57 119.77 1hbg h LYS 33 Ca -0.02 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1hbg h LYS 33 Cb 0.27 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1hbg h LYS 33 CO 0.03 0.73 0.19 0.35 -0.57 0.00 0.00 179.45 180.19 1hbg h PHE 34 N 0.90 0.44 -0.15 -1.35 3.57 -1.00 -1.14 116.94 118.20 1hbg h PHE 34 Ca 0.22 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.59 1hbg h PHE 34 Cb 0.15 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1hbg h PHE 34 CO 0.01 0.33 -0.43 -0.07 -2.23 0.00 0.00 178.31 175.92 1hbg h LEU 35 N 0.42 0.38 -0.80 0.59 3.38 -1.01 -1.24 115.31 117.03 1hbg h LEU 35 Ca 0.12 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1hbg h LEU 35 Cb 0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1hbg h LEU 35 CO -0.02 0.77 -0.17 0.28 0.09 0.00 0.00 178.44 179.39 1hbg h SER 36 N 0.29 0.72 1.32 -0.43 0.02 -0.49 -2.64 113.55 112.35 1hbg h SER 36 Ca 0.02 -0.23 -0.13 0.00 -0.84 0.00 0.00 61.79 60.61 1hbg h SER 36 Cb 0.88 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1hbg h SER 36 CO 0.07 0.90 -0.62 0.00 -1.14 0.00 0.00 176.83 176.04 1hbg h ALA 37 N 1.16 0.62 -2.40 3.77 0.00 -1.06 -3.39 119.26 117.97 1hbg h ALA 37 Ca 0.10 -0.56 -0.59 0.00 0.00 0.00 0.00 54.91 53.86 1hbg h ALA 37 Cb 0.65 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 17.94 1hbg h ALA 37 CO 0.05 0.77 -0.88 0.72 0.00 0.00 0.00 179.25 179.91 1hbg n HIS 38 N -3.28 0.65 -0.08 0.00 8.25 -0.48 -4.98 115.22 115.30 1hbg n HIS 38 Ca 0.01 -3.69 0.17 0.00 -0.26 0.00 0.00 57.72 53.95 1hbg n HIS 38 Cb 0.77 -0.18 0.58 0.00 1.12 0.00 0.00 29.99 32.28 1hbg n HIS 38 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1hbg h PRO 39 N 4.98 0.24 -0.09 -0.41 0.13 -1.68 0.96 132.00 136.13 1hbg h PRO 39 Ca 0.19 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.33 1hbg h PRO 39 Cb 0.84 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 1hbg h PRO 39 CO 0.52 0.16 0.11 -0.56 -0.23 0.00 0.00 178.00 178.00 1hbg h GLN 40 N 0.25 0.00 0.00 0.86 -0.00 -1.94 -1.82 115.11 112.46 1hbg h GLN 40 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.95 1hbg h GLN 40 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.33 1hbg h GLN 40 CO -0.06 0.00 0.00 0.52 -0.00 0.00 0.00 178.83 179.29 1hbg h MET 41 N 0.00 0.00 -0.87 0.06 2.86 -1.13 -3.20 114.93 112.66 1hbg h MET 41 Ca 0.04 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1hbg h MET 41 Cb 0.26 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.87 1hbg h MET 41 CO -0.00 0.00 0.57 0.00 1.06 0.00 0.00 176.91 178.54 1hbg h ALA 42 N 2.16 1.12 -0.11 6.32 0.00 -1.49 -1.80 119.26 125.47 1hbg h ALA 42 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1hbg h ALA 42 Cb 0.55 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1hbg h ALA 42 CO 0.00 0.45 -0.13 0.00 0.00 0.00 0.00 179.25 179.57 1hbg h ALA 43 N 1.34 1.58 -0.04 0.00 0.00 -1.75 0.13 119.26 120.52 1hbg h ALA 43 Ca 0.33 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1hbg h ALA 43 Cb -0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1hbg h ALA 43 CO -0.09 0.31 0.01 0.28 0.00 0.00 0.00 179.25 179.75 1hbg h VAL 44 N 0.16 1.19 0.00 0.00 2.07 -1.46 -3.02 116.25 115.18 1hbg h VAL 44 Ca 0.03 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 1hbg h VAL 44 Cb 0.34 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1hbg h VAL 44 CO 0.02 0.15 -0.24 -0.26 0.02 0.00 0.00 177.57 177.27 1hbg h PHE 45 N -0.15 0.00 0.00 1.57 0.04 -1.21 0.71 116.94 117.91 1hbg h PHE 45 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1hbg h PHE 45 Cb 0.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1hbg h PHE 45 CO 0.00 0.24 0.00 0.41 -0.60 0.00 0.00 178.31 178.36 1hbg n GLY 46 N 0.59 0.95 3.84 -1.45 0.00 0.32 -4.70 105.19 104.73 1hbg n GLY 46 Ca 0.01 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 1hbg n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hbg s PHE 47 N -2.00 3.24 -0.62 1.61 0.08 -0.38 -5.01 117.98 114.90 1hbg s PHE 47 Ca 0.00 0.02 0.25 0.00 0.12 0.00 0.00 56.93 57.32 1hbg s PHE 47 Cb 0.00 -1.55 0.71 0.00 -0.57 0.00 0.00 43.02 41.61 1hbg s PHE 47 CO 0.00 0.52 1.74 0.66 -0.10 0.00 0.00 175.22 178.03 1hbg h SER 48 N 2.32 0.00 0.00 1.36 4.64 -1.96 -3.39 113.55 116.53 1hbg h SER 48 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1hbg h SER 48 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1hbg h SER 48 CO 0.65 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.22 1hbg n GLY 49 N 1.15 -1.80 0.27 -0.77 0.00 -1.26 -4.96 105.19 97.81 1hbg n GLY 49 Ca 0.05 -1.25 0.14 0.00 0.00 0.00 0.00 46.02 44.95 1hbg n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hbg h ALA 50 N 0.00 1.18 -0.30 4.61 0.00 -1.88 -2.71 119.26 120.16 1hbg h ALA 50 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1hbg h ALA 50 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1hbg h ALA 50 CO 0.00 0.13 0.00 -1.13 0.00 0.00 0.00 179.25 178.25 1hbg n SER 51 N -3.47 2.44 -4.74 0.00 3.41 -1.26 -4.75 113.62 105.24 1hbg n SER 51 Ca -0.01 -1.86 -0.42 0.00 -0.26 0.00 0.00 58.87 56.32 1hbg n SER 51 Cb 0.26 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 1hbg n SER 51 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1hbg s ASP 52 N -1.44 6.53 0.63 4.04 -1.08 -1.03 -4.88 116.67 119.45 1hbg s ASP 52 Ca 0.34 2.75 0.40 0.00 -0.52 0.00 0.00 52.55 55.53 1hbg s ASP 52 Cb 0.19 -2.62 2.15 0.00 -1.46 0.00 0.00 42.92 41.19 1hbg s ASP 52 CO 0.27 -0.82 2.29 1.55 0.52 0.00 0.00 175.17 178.99 1hbg h PRO 53 N 5.58 0.00 0.00 4.34 0.13 -1.91 -1.65 132.00 138.48 1hbg h PRO 53 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1hbg h PRO 53 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1hbg h PRO 53 CO 0.83 0.01 -0.10 0.78 -0.23 0.00 0.00 178.00 179.29 1hbg h GLY 54 N 0.29 0.00 0.93 1.56 0.00 -1.96 -2.71 103.07 101.18 1hbg h GLY 54 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1hbg h GLY 54 CO 0.00 0.00 0.11 -2.08 0.00 0.00 0.00 176.54 174.57 1hbg h VAL 55 N 0.00 1.13 -0.34 4.60 2.07 -1.64 0.73 116.25 122.79 1hbg h VAL 55 Ca -0.00 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1hbg h VAL 55 Cb 0.24 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1hbg h VAL 55 CO 0.01 0.13 0.14 0.00 0.02 0.00 0.00 177.57 177.87 1hbg h ALA 56 N 0.98 0.45 0.30 1.67 0.00 -1.66 0.33 119.26 121.33 1hbg h ALA 56 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1hbg h ALA 56 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1hbg h ALA 56 CO -0.01 0.05 -0.20 0.00 0.00 0.00 0.00 179.25 179.08 1hbg h ALA 57 N 0.98 -0.49 -0.56 0.00 0.00 -1.38 -2.26 119.26 115.55 1hbg h ALA 57 Ca 0.11 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1hbg h ALA 57 Cb 0.18 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1hbg h ALA 57 CO -0.01 -0.79 -0.08 1.25 0.00 0.00 0.00 179.25 179.62 1hbg h LEU 58 N -0.50 1.04 -0.79 0.00 5.85 -0.82 -2.73 115.31 117.36 1hbg h LEU 58 Ca -0.03 -0.34 0.13 0.00 0.84 0.00 0.00 57.88 58.49 1hbg h LEU 58 Cb 0.42 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.08 1hbg h LEU 58 CO 0.02 1.13 0.38 1.23 -0.34 0.00 0.00 178.44 180.86 1hbg h GLY 59 N 0.92 1.24 1.21 3.75 0.00 -0.85 -1.09 103.07 108.25 1hbg h GLY 59 Ca 0.15 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 1hbg h GLY 59 CO 0.04 -0.03 0.15 0.00 0.00 0.00 0.00 176.54 176.70 1hbg h ALA 60 N 1.52 1.08 -0.42 3.60 0.00 -1.19 -1.57 119.26 122.29 1hbg h ALA 60 Ca 0.42 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1hbg h ALA 60 Cb 0.58 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1hbg h ALA 60 CO -0.35 0.61 -0.10 0.87 0.00 0.00 0.00 179.25 180.28 1hbg h LYS 61 N 0.94 0.81 -0.20 0.00 1.57 -0.95 -1.62 116.57 117.11 1hbg h LYS 61 Ca 0.20 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1hbg h LYS 61 Cb 0.34 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1hbg h LYS 61 CO 0.00 0.92 0.12 0.28 -0.57 0.00 0.00 179.45 180.21 1hbg h VAL 62 N 0.63 1.04 -0.56 0.50 2.07 -1.09 -1.38 116.25 117.46 1hbg h VAL 62 Ca 0.11 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.45 1hbg h VAL 62 Cb 0.62 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1hbg h VAL 62 CO 0.04 0.05 0.01 -0.07 0.02 0.00 0.00 177.57 177.62 1hbg h LEU 63 N 0.26 0.93 -0.69 2.57 -0.00 -1.15 -1.21 115.31 116.02 1hbg h LEU 63 Ca 0.08 -0.25 -0.04 0.00 -0.00 0.00 0.00 57.88 57.67 1hbg h LEU 63 Cb -0.02 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.36 1hbg h LEU 63 CO -0.03 0.98 0.26 0.00 -0.00 0.00 0.00 178.44 179.66 1hbg h ALA 64 N 1.11 0.89 -0.67 1.53 0.00 -1.12 -1.18 119.26 119.84 1hbg h ALA 64 Ca 0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1hbg h ALA 64 Cb 0.51 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1hbg h ALA 64 CO 0.02 0.52 0.26 0.37 0.00 0.00 0.00 179.25 180.43 1hbg h GLN 65 N 0.98 0.98 -0.83 0.00 5.75 -0.75 -2.10 115.11 119.13 1hbg h GLN 65 Ca 0.23 -0.16 -0.03 0.00 -0.15 0.00 0.00 58.65 58.54 1hbg h GLN 65 Cb 0.23 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 1hbg h GLN 65 CO -0.02 0.80 0.42 0.82 -2.65 0.00 0.00 178.83 178.20 1hbg h ILE 66 N 0.96 1.25 -0.76 2.39 2.04 -0.66 -1.34 117.51 121.40 1hbg h ILE 66 Ca 0.22 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1hbg h ILE 66 Cb 0.19 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 1hbg h ILE 66 CO -0.02 0.30 0.44 1.23 0.00 0.00 0.00 178.15 180.10 1hbg h GLY 67 N 1.18 1.10 0.74 5.37 0.00 -0.60 -0.92 103.07 109.94 1hbg h GLY 67 Ca 0.29 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1hbg h GLY 67 CO -0.04 0.45 0.00 -2.08 0.00 0.00 0.00 176.54 174.87 1hbg h VAL 68 N 1.04 1.22 -0.88 4.60 2.07 -0.91 -1.38 116.25 122.02 1hbg h VAL 68 Ca 0.27 -0.66 0.05 0.00 0.82 0.00 0.00 66.70 67.18 1hbg h VAL 68 Cb -0.02 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1hbg h VAL 68 CO -0.05 0.17 0.57 0.00 0.02 0.00 0.00 177.57 178.29 1hbg h ALA 69 N 0.74 1.49 -0.69 1.67 0.00 -0.75 -2.23 119.26 119.49 1hbg h ALA 69 Ca 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1hbg h ALA 69 Cb 0.28 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1hbg h ALA 69 CO 0.00 0.40 0.20 0.28 0.00 0.00 0.00 179.25 180.14 1hbg h VAL 70 N 1.05 1.25 0.00 0.00 2.07 -0.98 -1.58 116.25 118.06 1hbg h VAL 70 Ca 0.36 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1hbg h VAL 70 Cb 0.11 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1hbg h VAL 70 CO -0.12 0.34 -0.03 0.77 0.02 0.00 0.00 177.57 178.55 1hbg h SER 71 N 1.03 0.00 -0.53 0.57 4.64 -0.62 -2.47 113.55 116.16 1hbg h SER 71 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1hbg h SER 71 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1hbg h SER 71 CO -0.01 0.03 0.00 1.41 -0.87 0.00 0.00 176.83 177.39 1hbg n HIS 72 N -3.29 1.17 0.29 4.77 8.25 -0.60 -4.59 115.22 121.21 1hbg n HIS 72 Ca -0.02 -0.63 0.18 0.00 -0.26 0.00 0.00 57.72 57.00 1hbg n HIS 72 Cb 0.17 -0.20 0.97 0.00 1.12 0.00 0.00 29.99 32.05 1hbg n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1hbg h LEU 73 N 3.32 0.00 -0.95 2.41 4.07 -1.32 -0.37 115.31 122.47 1hbg h LEU 73 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1hbg h LEU 73 Cb 1.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1hbg h LEU 73 CO 0.17 0.00 0.00 1.23 -1.08 0.00 0.00 178.44 178.76 1hbg h GLY 74 N 0.00 0.00 -6.62 0.83 0.00 -1.83 -3.36 103.07 92.08 1hbg h GLY 74 Ca 0.03 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.76 1hbg h GLY 74 CO -0.00 0.00 -0.85 -0.35 0.00 0.00 0.00 176.54 175.34 1hbg s ASP 75 N -5.64 2.62 0.38 0.19 -1.08 -0.15 -5.00 116.67 107.99 1hbg s ASP 75 Ca 0.03 -2.98 0.13 0.00 -0.52 0.00 0.00 52.55 49.21 1hbg s ASP 75 Cb 0.08 -0.73 0.94 0.00 -1.46 0.00 0.00 42.92 41.75 1hbg s ASP 75 CO 0.56 -0.20 1.85 -0.08 0.52 0.00 0.00 175.17 177.83 1hbg h GLU 76 N 6.01 0.54 -0.55 4.34 4.81 -1.72 -1.19 114.58 126.82 1hbg h GLU 76 Ca 0.17 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.40 1hbg h GLU 76 Cb 0.90 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.11 1hbg h GLU 76 CO 0.43 0.36 0.30 0.78 -0.73 0.00 0.00 179.01 180.15 1hbg h GLY 77 N 0.56 0.78 0.84 1.92 0.00 -1.94 -0.17 103.07 105.05 1hbg h GLY 77 Ca 0.47 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 1hbg h GLY 77 CO -0.22 0.15 -0.03 0.50 0.00 0.00 0.00 176.54 176.95 1hbg h LYS 78 N 0.58 0.45 -0.37 4.80 1.57 -1.55 -1.38 116.57 120.67 1hbg h LYS 78 Ca 0.23 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1hbg h LYS 78 Cb 0.11 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1hbg h LYS 78 CO -0.14 0.65 0.23 1.98 -0.57 0.00 0.00 179.45 181.60 1hbg h MET 79 N 0.21 0.46 -0.14 3.15 4.05 -0.97 -1.44 114.93 120.25 1hbg h MET 79 Ca 0.07 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1hbg h MET 79 Cb 0.47 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 1hbg h MET 79 CO 0.02 0.31 0.08 0.28 0.23 0.00 0.00 176.91 177.82 1hbg h VAL 80 N 0.48 1.10 -0.75 -5.77 2.07 -1.02 -1.34 116.25 111.02 1hbg h VAL 80 Ca 0.14 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1hbg h VAL 80 Cb -0.04 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1hbg h VAL 80 CO -0.04 0.09 0.42 0.00 0.02 0.00 0.00 177.57 178.06 1hbg h ALA 81 N 0.97 0.96 -0.19 1.67 0.00 -1.01 0.44 119.26 122.10 1hbg h ALA 81 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1hbg h ALA 81 Cb 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1hbg h ALA 81 CO -0.01 0.47 0.12 1.96 0.00 0.00 0.00 179.25 181.79 1hbg h GLN 82 N 1.04 0.25 -0.11 0.00 4.20 -1.12 -1.83 115.11 117.53 1hbg h GLN 82 Ca 0.27 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.85 1hbg h GLN 82 Cb 0.03 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1hbg h GLN 82 CO -0.04 0.18 -0.40 0.52 -0.67 0.00 0.00 178.83 178.42 1hbg h MET 83 N 0.24 0.25 -0.54 1.46 2.86 -0.94 -1.67 114.93 116.59 1hbg h MET 83 Ca 0.07 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1hbg h MET 83 Cb -0.01 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1hbg h MET 83 CO -0.01 0.61 0.13 -0.22 1.06 0.00 0.00 176.91 178.47 1hbg h LYS 84 N 0.21 0.86 -0.49 1.72 3.64 -0.62 -0.42 116.57 121.47 1hbg h LYS 84 Ca 0.02 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 1hbg h LYS 84 Cb 0.80 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1hbg h LYS 84 CO 0.06 0.82 0.14 0.00 -2.27 0.00 0.00 179.45 178.19 1hbg h ALA 85 N 1.01 1.31 -0.45 5.00 0.00 -0.96 0.33 119.26 125.50 1hbg h ALA 85 Ca 0.17 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1hbg h ALA 85 Cb 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1hbg h ALA 85 CO 0.00 0.49 -0.06 0.28 0.00 0.00 0.00 179.25 179.97 1hbg h VAL 86 N 0.72 1.25 -0.49 0.00 2.07 -0.75 -2.35 116.25 116.70 1hbg h VAL 86 Ca 0.16 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1hbg h VAL 86 Cb 0.24 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1hbg h VAL 86 CO -0.01 0.38 0.24 1.23 0.02 0.00 0.00 177.57 179.43 1hbg h GLY 87 N 0.97 0.75 1.34 2.17 0.00 -0.17 -1.96 103.07 106.19 1hbg h GLY 87 Ca 0.13 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 47.11 1hbg h GLY 87 CO 0.03 0.35 0.41 -2.08 0.00 0.00 0.00 176.54 175.25 1hbg h VAL 88 N 0.65 1.13 -0.26 4.60 2.07 -0.70 -2.11 116.25 121.63 1hbg h VAL 88 Ca 0.17 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1hbg h VAL 88 Cb 0.11 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1hbg h VAL 88 CO -0.02 0.15 -0.08 0.03 0.02 0.00 0.00 177.57 177.67 1hbg h ARG 89 N 0.80 0.41 0.00 1.57 3.08 -0.84 -1.70 114.38 117.71 1hbg h ARG 89 Ca 0.24 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1hbg h ARG 89 Cb -0.03 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1hbg h ARG 89 CO -0.06 0.51 0.00 0.45 -1.07 0.00 0.00 179.97 179.80 1hbg h HIS 90 N 0.39 0.00 0.00 3.04 3.86 -0.90 -1.88 115.15 119.66 1hbg h HIS 90 Ca 0.08 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1hbg h HIS 90 Cb 0.39 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.86 1hbg h HIS 90 CO 0.01 0.00 -0.03 0.87 0.86 0.00 0.00 177.93 179.64 1hbg h LYS 91 N 0.00 0.00 -0.31 2.45 1.57 -1.29 -1.98 116.57 117.02 1hbg h LYS 91 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hbg h LYS 91 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1hbg h LYS 91 CO 0.00 0.03 0.00 0.41 -0.57 0.00 0.00 179.45 179.32 1hbg n GLY 92 N -1.28 1.40 3.78 3.86 0.00 -0.71 -5.00 105.19 107.25 1hbg n GLY 92 Ca -0.03 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 1hbg n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hbg s TYR 93 N -1.61 3.04 0.01 1.61 2.02 -0.75 -5.06 117.35 116.62 1hbg s TYR 93 Ca 0.36 -0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.95 1hbg s TYR 93 Cb 0.22 -1.39 0.00 0.00 -0.40 0.00 0.00 41.96 40.39 1hbg s TYR 93 CO 0.31 0.54 0.00 0.41 -1.57 0.00 0.00 175.55 175.23 1hbg n GLY 94 N -0.92 -1.62 0.00 0.71 0.00 -1.26 -4.80 105.19 97.31 1hbg n GLY 94 Ca -0.08 -1.51 0.06 0.00 0.00 0.00 0.00 46.02 44.49 1hbg n GLY 94 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hbg n ASN 95 N -1.80 1.08 -4.31 1.61 3.02 0.24 -4.99 115.26 110.11 1hbg n ASN 95 Ca -0.00 -0.53 -0.19 0.00 -0.03 0.00 0.00 54.58 53.83 1hbg n ASN 95 Cb 0.01 1.19 -0.11 0.00 -0.61 0.00 0.00 39.78 40.27 1hbg n ASN 95 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1hbg s LYS 96 N -2.40 1.22 0.21 3.52 -0.14 -1.24 -4.97 119.74 115.94 1hbg s LYS 96 Ca 0.02 -1.43 -0.32 0.00 -1.36 0.00 0.00 55.97 52.87 1hbg s LYS 96 Cb 0.09 -1.12 -0.13 0.00 -1.68 0.00 0.00 37.83 34.99 1hbg s LYS 96 CO 0.51 0.21 1.48 1.58 -0.76 0.00 0.00 175.35 178.38 1hbg n HIS 97 N 0.09 2.25 -2.90 3.18 -0.00 -1.26 -4.92 115.22 111.65 1hbg n HIS 97 Ca -0.12 0.36 -0.42 0.00 -0.00 0.00 0.00 57.72 57.54 1hbg n HIS 97 Cb 0.58 -2.50 -0.05 0.00 -0.00 0.00 0.00 29.99 28.03 1hbg n HIS 97 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1hbg s ILE 98 N 0.31 4.72 0.06 3.57 1.01 -1.26 -5.04 121.20 124.57 1hbg s ILE 98 Ca 0.72 1.11 -0.07 0.00 0.00 0.00 0.00 60.65 62.42 1hbg s ILE 98 Cb -0.65 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 37.55 1hbg s ILE 98 CO 0.45 -0.38 0.33 -0.54 0.00 0.00 0.00 174.94 174.80 1hbg s LYS 99 N 3.14 3.63 0.49 2.79 1.02 -1.26 -4.99 119.74 124.56 1hbg s LYS 99 Ca 0.34 -0.03 0.17 0.00 0.02 0.00 0.00 55.97 56.46 1hbg s LYS 99 Cb -0.13 -3.00 1.18 0.00 -0.52 0.00 0.00 37.83 35.36 1hbg s LYS 99 CO 0.15 0.58 2.06 0.00 -0.92 0.00 0.00 175.35 177.22 1hbg h ALA 100 N 3.58 2.09 0.00 5.17 0.00 -1.98 -1.82 119.26 126.30 1hbg h ALA 100 Ca -0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1hbg h ALA 100 Cb 1.19 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1hbg h ALA 100 CO 0.68 -0.16 -0.03 1.96 0.00 0.00 0.00 179.25 181.70 1hbg h GLN 101 N 0.18 0.00 0.00 0.00 7.50 -2.02 -2.62 115.11 118.15 1hbg h GLN 101 Ca 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.29 1hbg h GLN 101 Cb 0.38 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.91 1hbg h GLN 101 CO -0.02 0.03 -0.09 1.88 -1.50 0.00 0.00 178.83 179.13 1hbg h TYR 102 N 0.00 0.00 -0.05 2.96 0.05 -1.73 -3.18 116.97 115.01 1hbg h TYR 102 Ca -0.00 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.67 1hbg h TYR 102 Cb 0.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 1hbg h TYR 102 CO 0.00 0.09 -0.47 0.74 -1.05 0.00 0.00 178.16 177.47 1hbg h PHE 103 N 0.00 0.15 0.26 4.88 -1.00 -1.63 -3.08 116.94 116.51 1hbg h PHE 103 Ca -0.00 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 1hbg h PHE 103 Cb 0.42 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.95 1hbg h PHE 103 CO 0.00 0.57 -0.12 1.49 -1.61 0.00 0.00 178.31 178.64 1hbg h GLU 104 N 0.10 -0.34 0.00 1.51 4.81 -1.73 -1.70 114.58 117.24 1hbg h GLU 104 Ca 0.00 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1hbg h GLU 104 Cb 0.87 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 1hbg h GLU 104 CO 0.07 -0.04 -0.13 -1.00 -0.73 0.00 0.00 179.01 177.17 1hbg h PRO 105 N -0.63 0.00 -0.47 0.92 0.13 -1.77 -1.43 132.00 128.76 1hbg h PRO 105 Ca -0.04 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.01 1hbg h PRO 105 Cb 0.45 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.56 1hbg h PRO 105 CO 0.06 0.13 -0.06 1.25 -0.23 0.00 0.00 178.00 179.15 1hbg h LEU 106 N 0.00 0.81 -0.62 1.56 5.85 -1.41 -1.79 115.31 119.71 1hbg h LEU 106 Ca -0.00 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 1hbg h LEU 106 Cb 0.26 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1hbg h LEU 106 CO 0.02 0.91 0.38 1.23 -0.34 0.00 0.00 178.44 180.63 1hbg h GLY 107 N 0.98 0.90 1.01 3.75 0.00 -0.32 -0.08 103.07 109.30 1hbg h GLY 107 Ca 0.13 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 1hbg h GLY 107 CO 0.03 0.36 0.22 0.00 0.00 0.00 0.00 176.54 177.15 1hbg h ALA 108 N 1.20 0.80 -0.69 3.60 0.00 -1.22 0.35 119.26 123.29 1hbg h ALA 108 Ca 0.22 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1hbg h ALA 108 Cb -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1hbg h ALA 108 CO -0.04 0.45 0.24 0.77 0.00 0.00 0.00 179.25 180.67 1hbg h SER 109 N 0.87 0.99 0.04 0.00 0.02 -0.90 -1.55 113.55 113.03 1hbg h SER 109 Ca 0.20 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1hbg h SER 109 Cb 0.25 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1hbg h SER 109 CO -0.01 0.92 -0.02 0.25 -1.14 0.00 0.00 176.83 176.83 1hbg h LEU 110 N 1.01 -0.05 -1.70 5.07 5.85 -0.71 -0.56 115.31 124.21 1hbg h LEU 110 Ca 0.23 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1hbg h LEU 110 Cb 0.27 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1hbg h LEU 110 CO -0.01 0.18 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.13 1hbg h LEU 111 N -0.27 0.09 -0.33 2.25 4.07 -0.78 -0.58 115.31 119.76 1hbg h LEU 111 Ca -0.01 -0.01 -0.17 0.00 0.08 0.00 0.00 57.88 57.78 1hbg h LEU 111 Cb 0.25 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 41.96 1hbg h LEU 111 CO 0.01 0.18 -0.45 0.28 -1.08 0.00 0.00 178.44 177.38 1hbg h SER 112 N 0.10 0.96 -0.13 -0.43 0.02 -1.05 -2.17 113.55 110.85 1hbg h SER 112 Ca 0.02 -0.50 -0.09 0.00 -0.84 0.00 0.00 61.79 60.39 1hbg h SER 112 Cb 0.19 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1hbg h SER 112 CO 0.01 1.27 -0.19 0.00 -1.14 0.00 0.00 176.83 176.78 1hbg h ALA 113 N 0.72 1.13 -0.63 3.77 0.00 -0.65 -0.89 119.26 122.71 1hbg h ALA 113 Ca 0.04 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1hbg h ALA 113 Cb 1.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1hbg h ALA 113 CO 0.11 0.55 0.22 0.52 0.00 0.00 0.00 179.25 180.64 1hbg h MET 114 N 0.48 0.97 -0.53 0.00 2.07 -0.98 -2.54 114.93 114.41 1hbg h MET 114 Ca 0.08 -0.20 -0.06 0.00 -2.07 0.00 0.00 59.70 57.45 1hbg h MET 114 Cb 0.60 -0.15 -0.02 0.00 -1.87 0.00 0.00 31.60 30.16 1hbg h MET 114 CO 0.04 0.84 0.08 1.49 1.07 0.00 0.00 176.91 180.44 1hbg h GLU 115 N 0.90 0.84 -0.32 1.72 4.81 -0.98 -0.89 114.58 120.66 1hbg h GLU 115 Ca 0.21 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1hbg h GLU 115 Cb 0.26 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1hbg h GLU 115 CO -0.01 0.79 0.12 0.45 -0.73 0.00 0.00 179.01 179.62 1hbg h HIS 116 N 0.80 0.44 0.00 0.92 3.86 -0.87 0.52 115.15 120.82 1hbg h HIS 116 Ca 0.17 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.33 1hbg h HIS 116 Cb 0.36 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1hbg h HIS 116 CO 0.02 0.36 -0.20 -0.09 0.86 0.00 0.00 177.93 178.87 1hbg h ARG 117 N 0.44 0.00 -0.00 2.45 2.43 -0.95 -3.38 114.38 115.37 1hbg h ARG 117 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1hbg h ARG 117 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1hbg h ARG 117 CO -0.01 0.87 -0.35 0.44 -1.51 0.00 0.00 179.97 179.41 1hbg n ILE 118 N -4.60 0.00 0.00 1.20 -5.35 -0.41 -5.02 119.36 105.17 1hbg n ILE 118 Ca -0.12 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 1hbg n ILE 118 Cb 0.45 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.63 1hbg n ILE 118 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hbg n GLY 119 N 1.41 3.32 0.32 3.28 0.00 0.18 -2.19 105.19 111.51 1hbg n GLY 119 Ca 0.09 -0.05 0.16 0.00 0.00 0.00 0.00 46.02 46.23 1hbg n GLY 119 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1hbg h GLY 120 N 0.00 0.00 2.00 -0.02 0.00 -1.96 -1.35 103.07 101.74 1hbg h GLY 120 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hbg h GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.04 1hbg h LYS 121 N 0.00 0.00 -3.67 4.80 1.57 -1.83 -3.28 116.57 114.16 1hbg h LYS 121 Ca 0.00 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 58.03 1hbg h LYS 121 Cb 0.48 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.66 1hbg h LYS 121 CO 0.00 0.00 2.21 -0.12 -0.57 0.00 0.00 179.45 180.97 1hbg n MET 122 N -2.79 3.47 -0.25 3.15 1.56 -0.51 -4.76 117.12 116.99 1hbg n MET 122 Ca 0.01 -3.36 0.00 0.00 -0.27 0.00 0.00 57.70 54.08 1hbg n MET 122 Cb 0.29 -3.00 0.00 0.00 2.15 0.00 0.00 33.22 32.66 1hbg n MET 122 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1hbg n ASN 123 N 4.40 0.00 -0.19 6.12 2.04 -1.24 -4.73 115.26 121.66 1hbg n ASN 123 Ca 0.42 -0.68 -0.04 0.00 -0.44 0.00 0.00 54.58 53.84 1hbg n ASN 123 Cb 0.37 0.00 0.06 0.00 -2.53 0.00 0.00 39.78 37.68 1hbg n ASN 123 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1hbg h ALA 124 N -1.27 0.73 -0.41 -2.53 0.00 -1.93 0.14 119.26 113.98 1hbg h ALA 124 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1hbg h ALA 124 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1hbg h ALA 124 CO 0.00 -0.00 -0.22 0.00 0.00 0.00 0.00 179.25 179.03 1hbg h ALA 125 N 1.28 0.85 -0.34 0.00 0.00 -1.96 -2.36 119.26 116.73 1hbg h ALA 125 Ca 0.24 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1hbg h ALA 125 Cb 0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1hbg h ALA 125 CO -0.14 0.64 -0.36 0.00 0.00 0.00 0.00 179.25 179.39 1hbg h ALA 126 N 1.04 0.51 -0.59 0.00 0.00 -1.70 -1.55 119.26 116.97 1hbg h ALA 126 Ca 0.10 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1hbg h ALA 126 Cb 0.74 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1hbg h ALA 126 CO 0.06 0.58 0.21 0.87 0.00 0.00 0.00 179.25 180.97 1hbg h LYS 127 N 0.64 0.89 -0.26 0.00 1.57 -0.64 0.14 116.57 118.92 1hbg h LYS 127 Ca 0.05 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1hbg h LYS 127 Cb 0.94 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1hbg h LYS 127 CO 0.09 0.78 0.13 0.22 -0.57 0.00 0.00 179.45 180.10 1hbg h ASP 128 N 0.82 0.34 -0.32 0.86 3.58 -1.39 -0.91 116.42 119.39 1hbg h ASP 128 Ca 0.19 -0.12 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 1hbg h ASP 128 Cb 0.24 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1hbg h ASP 128 CO -0.01 0.36 -0.03 0.00 -2.88 0.00 0.00 179.24 176.68 1hbg h ALA 129 N 0.99 0.44 -0.05 -0.78 0.00 -1.09 -2.28 119.26 116.48 1hbg h ALA 129 Ca 0.09 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1hbg h ALA 129 Cb 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1hbg h ALA 129 CO -0.01 0.23 -0.46 -1.49 0.00 0.00 0.00 179.25 177.51 1hbg h TRP 130 N 0.38 0.15 -0.48 0.00 4.06 -0.66 0.10 115.95 119.51 1hbg h TRP 130 Ca 0.09 -0.04 -0.03 0.00 2.06 0.00 0.00 58.89 60.96 1hbg h TRP 130 Cb 0.49 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.60 1hbg h TRP 130 CO 0.04 0.57 0.18 0.00 -3.56 0.00 0.00 178.44 175.67 1hbg h ALA 131 N 1.42 0.63 -0.48 1.49 0.00 -0.98 0.11 119.26 121.45 1hbg h ALA 131 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1hbg h ALA 131 Cb 0.86 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1hbg h ALA 131 CO 0.07 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1hbg h ALA 132 N 1.03 0.64 -0.51 0.00 0.00 -1.22 -1.15 119.26 118.04 1hbg h ALA 132 Ca 0.16 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1hbg h ALA 132 Cb 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1hbg h ALA 132 CO -0.01 0.44 0.13 0.00 0.00 0.00 0.00 179.25 179.81 1hbg h ALA 133 N 0.92 0.67 -0.60 0.00 0.00 -0.66 -1.84 119.26 117.76 1hbg h ALA 133 Ca 0.14 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1hbg h ALA 133 Cb 0.50 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1hbg h ALA 133 CO 0.02 0.36 0.09 -0.92 0.00 0.00 0.00 179.25 178.81 1hbg h TYR 134 N 0.71 1.02 -0.87 0.00 3.20 -0.65 0.36 116.97 120.74 1hbg h TYR 134 Ca 0.16 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1hbg h TYR 134 Cb 0.33 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 1hbg h TYR 134 CO 0.02 0.87 0.55 0.00 -1.64 0.00 0.00 178.16 177.96 1hbg h ALA 135 N 1.18 1.11 -0.19 1.82 0.00 -0.91 0.73 119.26 123.00 1hbg h ALA 135 Ca 0.18 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1hbg h ALA 135 Cb 0.40 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1hbg h ALA 135 CO 0.01 0.54 -0.21 -0.44 0.00 0.00 0.00 179.25 179.15 1hbg h ASP 136 N 1.19 0.51 0.02 0.00 5.19 -0.87 -1.33 116.42 121.13 1hbg h ASP 136 Ca 0.31 -0.49 -0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1hbg h ASP 136 Cb -0.09 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.28 1hbg h ASP 136 CO -0.06 0.90 -0.01 0.40 -3.12 0.00 0.00 179.24 177.34 1hbg h ILE 137 N 0.14 1.32 -0.75 0.35 2.04 -0.78 -1.87 117.51 117.95 1hbg h ILE 137 Ca 0.03 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 64.76 1hbg h ILE 137 Cb 0.76 2.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.85 1hbg h ILE 137 CO 0.05 0.27 0.28 0.77 0.00 0.00 0.00 178.15 179.53 1hbg h SER 138 N -0.50 1.05 -0.80 1.72 4.64 -0.95 -2.03 113.55 116.68 1hbg h SER 138 Ca -0.00 -0.18 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 1hbg h SER 138 Cb 0.47 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 1hbg h SER 138 CO 0.01 0.95 0.40 1.23 -0.87 0.00 0.00 176.83 178.55 1hbg h GLY 139 N 1.09 1.23 1.12 -0.77 0.00 -1.24 0.04 103.07 104.55 1hbg h GLY 139 Ca 0.25 -0.59 -0.17 0.00 0.00 0.00 0.00 47.33 46.82 1hbg h GLY 139 CO -0.02 0.56 -0.46 0.00 0.00 0.00 0.00 176.54 176.63 1hbg h ALA 140 N 1.30 0.50 -0.33 3.60 0.00 -1.14 -1.38 119.26 121.81 1hbg h ALA 140 Ca 0.28 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1hbg h ALA 140 Cb 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1hbg h ALA 140 CO -0.04 0.66 0.15 1.25 0.00 0.00 0.00 179.25 181.26 1hbg h LEU 141 N 0.69 0.45 -1.09 0.00 6.46 -0.95 -2.52 115.31 118.35 1hbg h LEU 141 Ca 0.04 -0.15 0.01 0.00 -0.12 0.00 0.00 57.88 57.66 1hbg h LEU 141 Cb 1.06 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.83 1hbg h LEU 141 CO 0.11 0.47 0.61 0.40 -0.62 0.00 0.00 178.44 179.41 1hbg h ILE 142 N 0.40 1.23 -0.89 4.05 2.04 -0.92 0.19 117.51 123.61 1hbg h ILE 142 Ca 0.11 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1hbg h ILE 142 Cb 0.15 -0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.06 1hbg h ILE 142 CO -0.01 0.23 0.57 0.77 0.00 0.00 0.00 178.15 179.71 1hbg h SER 143 N 1.25 1.04 -0.21 1.72 4.64 -0.84 0.77 113.55 121.91 1hbg h SER 143 Ca 0.34 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.58 1hbg h SER 143 Cb -0.13 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.69 1hbg h SER 143 CO -0.08 0.77 -0.03 1.23 -0.87 0.00 0.00 176.83 177.85 1hbg h GLY 144 N 1.21 0.42 1.06 -0.77 0.00 -0.97 -2.57 103.07 101.45 1hbg h GLY 144 Ca 0.32 -0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1hbg h GLY 144 CO -0.07 0.30 0.50 -2.00 0.00 0.00 0.00 176.54 175.27 1hbg h LEU 145 N 0.13 0.74 -1.09 3.11 5.85 -0.44 -2.51 115.31 121.10 1hbg h LEU 145 Ca 0.06 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1hbg h LEU 145 Cb 0.45 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1hbg h LEU 145 CO 0.02 0.49 -0.07 0.00 -0.34 0.00 0.00 178.44 178.53 1hbg n GLN 146 N -4.47 1.63 0.00 1.25 6.02 0.21 -4.82 117.38 117.20 1hbg n GLN 146 Ca 0.11 -1.09 0.08 0.00 -0.01 0.00 0.00 57.00 56.09 1hbg n GLN 146 Cb 0.18 -1.48 0.48 0.00 1.02 0.00 0.00 30.24 30.44 1hbg n GLN 146 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92