#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hgb s LEU 2 N 0.00 4.36 0.47 6.55 1.43 -1.26 -5.05 118.68 125.17 1hgb s LEU 2 Ca 0.00 1.51 -0.02 0.00 -1.03 0.00 0.00 54.13 54.59 1hgb s LEU 2 Cb 0.00 -3.41 -0.01 0.00 0.03 0.00 0.00 46.19 42.80 1hgb s LEU 2 CO 0.00 -0.21 0.72 -0.94 0.23 0.00 0.00 176.35 176.15 1hgb s SER 3 N 0.91 5.96 0.33 2.29 1.04 -1.26 -4.87 113.70 118.09 1hgb s SER 3 Ca 0.47 0.53 0.11 0.00 0.48 0.00 0.00 55.95 57.55 1hgb s SER 3 Cb -0.20 -1.80 1.02 0.00 0.10 0.00 0.00 66.02 65.13 1hgb s SER 3 CO 0.25 -0.68 1.63 -0.65 0.98 0.00 0.00 173.24 174.77 1hgb h PRO 4 N 0.31 0.18 -0.42 4.02 0.11 -2.00 0.13 132.00 134.34 1hgb h PRO 4 Ca -0.47 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1hgb h PRO 4 Cb 1.24 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1hgb h PRO 4 CO 0.60 0.12 -0.09 0.00 -0.21 0.00 0.00 178.00 178.42 1hgb h ALA 5 N 1.88 0.58 -0.60 -0.75 0.00 -1.99 -1.91 119.26 116.46 1hgb h ALA 5 Ca 0.70 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1hgb h ALA 5 Cb 1.61 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 1hgb h ALA 5 CO -0.69 0.44 0.39 -0.44 0.00 0.00 0.00 179.25 178.95 1hgb h ASP 6 N 0.62 0.70 -0.69 0.00 3.32 -1.17 0.35 116.42 119.56 1hgb h ASP 6 Ca 0.11 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 1hgb h ASP 6 Cb 0.61 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1hgb h ASP 6 CO 0.04 0.52 0.18 0.11 -1.72 0.00 0.00 179.24 178.38 1hgb h LYS 7 N 0.82 1.09 0.43 3.56 1.57 -1.11 -1.25 116.57 121.68 1hgb h LYS 7 Ca 0.22 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1hgb h LYS 7 Cb -0.07 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.09 1hgb h LYS 7 CO -0.05 0.96 -0.21 1.15 -0.57 0.00 0.00 179.45 180.74 1hgb h THR 8 N 1.03 0.58 -0.65 -0.16 2.02 -0.83 0.18 112.91 115.07 1hgb h THR 8 Ca 0.22 -0.03 0.11 0.00 0.77 0.00 0.00 66.41 67.48 1hgb h THR 8 Cb 0.35 0.59 -0.08 0.00 -1.74 0.00 0.00 68.15 67.27 1hgb h THR 8 CO -0.00 0.01 0.23 0.78 0.37 0.00 0.00 175.52 176.91 1hgb h ASN 9 N -0.60 0.21 -0.16 4.18 2.35 -0.83 -1.16 115.58 119.56 1hgb h ASN 9 Ca -0.06 0.09 -0.20 0.00 -0.55 0.00 0.00 56.30 55.58 1hgb h ASN 9 Cb 0.45 0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1hgb h ASN 9 CO 0.10 0.11 -0.67 -0.37 -1.65 0.00 0.00 177.43 174.94 1hgb h VAL 10 N 0.40 1.28 -0.71 2.81 -1.51 -1.03 0.17 116.25 117.65 1hgb h VAL 10 Ca 0.34 -1.88 -0.03 0.00 -1.23 0.00 0.00 66.70 63.90 1hgb h VAL 10 Cb 0.46 1.83 -0.03 0.00 -2.13 0.00 0.00 31.29 31.42 1hgb h VAL 10 CO -0.35 0.60 0.32 0.11 -1.23 0.00 0.00 177.57 177.02 1hgb h LYS 11 N 0.57 1.04 0.22 5.19 1.57 -0.24 0.18 116.57 125.10 1hgb h LYS 11 Ca -0.02 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1hgb h LYS 11 Cb 1.28 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1hgb h LYS 11 CO 0.14 0.84 -0.11 0.00 -0.57 0.00 0.00 179.45 179.75 1hgb h ALA 12 N 1.15 -0.30 0.16 3.86 0.00 -1.23 -0.21 119.26 122.69 1hgb h ALA 12 Ca 0.24 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1hgb h ALA 12 Cb 0.16 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1hgb h ALA 12 CO -0.03 -0.48 -0.40 0.00 0.00 0.00 0.00 179.25 178.34 1hgb h ALA 13 N -0.00 -0.73 -0.72 0.00 0.00 -0.54 -1.88 119.26 115.39 1hgb h ALA 13 Ca -0.03 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1hgb h ALA 13 Cb 0.47 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1hgb h ALA 13 CO 0.05 -0.97 0.47 2.35 0.00 0.00 0.00 179.25 181.15 1hgb h TRP 14 N -0.66 0.69 -0.28 0.00 2.91 -0.69 -1.70 115.95 116.23 1hgb h TRP 14 Ca 0.02 0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.12 1hgb h TRP 14 Cb 0.67 -0.23 -0.07 0.00 -0.51 0.00 0.00 29.16 29.03 1hgb h TRP 14 CO -0.33 0.35 -0.18 0.78 -1.03 0.00 0.00 178.44 178.02 1hgb h GLY 15 N 0.67 0.00 0.40 2.65 0.00 -0.38 -0.53 103.07 105.88 1hgb h GLY 15 Ca 0.32 0.23 0.07 0.00 0.00 0.00 0.00 47.33 47.95 1hgb h GLY 15 CO -0.11 -0.18 0.02 0.50 0.00 0.00 0.00 176.54 176.77 1hgb h LYS 16 N -0.16 0.13 -0.56 4.80 1.79 -0.56 -2.20 116.57 119.80 1hgb h LYS 16 Ca 0.15 -0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.68 1hgb h LYS 16 Cb 0.39 -0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 30.91 1hgb h LYS 16 CO -0.38 0.08 -0.54 0.28 -1.08 0.00 0.00 179.45 177.82 1hgb h VAL 17 N 0.13 0.01 0.00 0.50 2.07 -0.58 -3.43 116.25 114.96 1hgb h VAL 17 Ca 0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1hgb h VAL 17 Cb 0.26 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1hgb h VAL 17 CO -0.31 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.89 1hgb n GLY 18 N -1.36 3.42 0.00 2.17 0.00 -0.82 -2.21 105.19 106.40 1hgb n GLY 18 Ca -0.01 0.25 0.05 0.00 0.00 0.00 0.00 46.02 46.31 1hgb n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hgb n ALA 19 N 11.77 1.87 0.42 4.61 0.00 -1.26 -3.03 120.51 134.89 1hgb n ALA 19 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.42 1hgb n ALA 19 Cb 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 1hgb n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hgb n HIS 20 N -1.03 0.00 -0.37 0.00 8.25 -0.94 -4.68 115.22 116.46 1hgb n HIS 20 Ca 0.08 0.00 0.33 0.00 -0.26 0.00 0.00 57.72 57.86 1hgb n HIS 20 Cb 0.04 0.00 0.56 0.00 1.12 0.00 0.00 29.99 31.72 1hgb n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hgb n ALA 21 N -0.90 1.09 0.26 -1.41 0.00 -1.17 0.33 120.51 118.71 1hgb n ALA 21 Ca 0.02 0.80 -0.14 0.00 0.00 0.00 0.00 53.44 54.12 1hgb n ALA 21 Cb 0.16 -0.91 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 1hgb n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1hgb h GLY 22 N 0.00 -0.70 -0.04 0.00 0.00 -1.83 0.91 103.07 101.41 1hgb h GLY 22 Ca 0.76 0.26 0.15 0.00 0.00 0.00 0.00 47.33 48.49 1hgb h GLY 22 CO -0.49 -0.25 0.14 0.83 0.00 0.00 0.00 176.54 176.77 1hgb h GLU 23 N -0.94 0.24 -0.03 4.80 3.07 -0.45 -1.51 114.58 119.75 1hgb h GLU 23 Ca -0.07 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 1hgb h GLU 23 Cb 0.60 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1hgb h GLU 23 CO 0.11 0.16 -0.02 1.88 -1.40 0.00 0.00 179.01 179.74 1hgb h TYR 24 N 0.25 0.08 -0.18 4.33 -1.99 -0.31 -1.84 116.97 117.30 1hgb h TYR 24 Ca 0.39 -0.02 0.05 0.00 2.00 0.00 0.00 58.73 61.15 1hgb h TYR 24 Cb 0.64 -0.02 -0.07 0.00 2.00 0.00 0.00 36.73 39.29 1hgb h TYR 24 CO -0.28 0.51 -0.28 0.78 -0.00 0.00 0.00 178.16 178.89 1hgb h GLY 25 N -0.38 -0.31 0.29 3.88 0.00 -0.53 0.38 103.07 106.40 1hgb h GLY 25 Ca 0.01 0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.73 1hgb h GLY 25 CO 0.01 -0.21 -0.28 0.00 0.00 0.00 0.00 176.54 176.06 1hgb h ALA 26 N 0.60 -0.32 -0.86 3.60 0.00 -1.31 -1.66 119.26 119.31 1hgb h ALA 26 Ca 0.11 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1hgb h ALA 26 Cb 0.50 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 1hgb h ALA 26 CO -0.37 -0.76 0.52 1.49 0.00 0.00 0.00 179.25 180.14 1hgb h GLU 27 N -0.37 0.90 -0.31 0.00 4.81 -0.66 -1.28 114.58 117.66 1hgb h GLU 27 Ca 0.09 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1hgb h GLU 27 Cb 0.50 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1hgb h GLU 27 CO -0.29 0.59 -0.06 0.00 -0.73 0.00 0.00 179.01 178.52 1hgb h ALA 28 N 1.43 1.32 -0.22 2.92 0.00 0.33 -1.61 119.26 123.43 1hgb h ALA 28 Ca 0.39 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1hgb h ALA 28 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1hgb h ALA 28 CO -0.20 0.46 0.02 -0.07 0.00 0.00 0.00 179.25 179.46 1hgb h LEU 29 N 0.48 0.37 -0.83 0.00 3.38 -0.46 -0.93 115.31 117.31 1hgb h LEU 29 Ca 0.10 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1hgb h LEU 29 Cb 0.40 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1hgb h LEU 29 CO 0.02 0.56 0.48 -0.08 0.09 0.00 0.00 178.44 179.52 1hgb h GLU 30 N 0.16 1.14 -0.00 1.13 4.81 -0.98 -1.01 114.58 119.83 1hgb h GLU 30 Ca 0.06 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1hgb h GLU 30 Cb 0.37 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1hgb h GLU 30 CO 0.01 0.82 -0.00 0.00 -0.73 0.00 0.00 179.01 179.11 1hgb h ARG 31 N 1.15 0.00 -0.73 1.92 3.08 -1.11 -1.61 114.38 117.08 1hgb h ARG 31 Ca 0.30 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.37 1hgb h ARG 31 Cb -0.01 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1hgb h ARG 31 CO -0.05 0.00 0.47 1.98 -1.07 0.00 0.00 179.97 181.30 1hgb h MET 32 N 0.00 0.91 -0.58 0.04 4.05 -0.83 0.02 114.93 118.54 1hgb h MET 32 Ca 0.00 -0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.26 1hgb h MET 32 Cb 0.00 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 30.58 1hgb h MET 32 CO -0.00 0.60 -0.06 0.74 0.23 0.00 0.00 176.91 178.42 1hgb h PHE 33 N 0.94 1.17 -0.09 1.39 0.04 -0.98 -0.62 116.94 118.79 1hgb h PHE 33 Ca 0.28 -0.22 -0.22 0.00 2.80 0.00 0.00 57.97 60.61 1hgb h PHE 33 Cb -0.05 -0.30 0.01 0.00 2.20 0.00 0.00 35.95 37.82 1hgb h PHE 33 CO -0.03 1.05 -0.78 -0.07 -0.60 0.00 0.00 178.31 177.88 1hgb h LEU 34 N 0.95 0.84 0.10 1.54 3.38 -1.11 -3.19 115.31 117.83 1hgb h LEU 34 Ca 0.16 -0.67 -0.29 0.00 0.09 0.00 0.00 57.88 57.17 1hgb h LEU 34 Cb 0.63 -0.25 0.02 0.00 0.09 0.00 0.00 40.66 41.14 1hgb h LEU 34 CO 0.04 1.39 -1.25 0.28 0.09 0.00 0.00 178.44 179.00 1hgb h SER 35 N 0.37 0.64 -2.50 -0.43 0.02 -0.98 -3.40 113.55 107.27 1hgb h SER 35 Ca -0.07 -0.63 -0.60 0.00 -0.84 0.00 0.00 61.79 59.65 1hgb h SER 35 Cb 1.43 -0.21 -0.40 0.00 0.14 0.00 0.00 62.40 63.36 1hgb h SER 35 CO 0.16 1.47 -0.79 0.49 -1.14 0.00 0.00 176.83 177.02 1hgb n PHE 36 N -3.67 1.44 0.33 3.45 3.72 -0.24 -4.97 117.46 117.52 1hgb n PHE 36 Ca -0.11 -3.85 0.14 0.00 -0.05 0.00 0.00 57.45 53.58 1hgb n PHE 36 Cb 1.00 -0.30 0.74 0.00 -0.94 0.00 0.00 39.48 39.99 1hgb n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1hgb h PRO 37 N 4.98 0.00 0.00 -1.08 0.11 -1.73 -0.71 132.00 133.58 1hgb h PRO 37 Ca 0.18 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 1hgb h PRO 37 Cb 0.80 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 1hgb h PRO 37 CO 0.59 0.00 -0.18 1.79 -0.21 0.00 0.00 178.00 180.00 1hgb h THR 38 N 0.00 0.59 -0.05 -1.15 1.35 -1.90 -2.63 112.91 109.11 1hgb h THR 38 Ca 0.00 -0.81 -0.04 0.00 -0.55 0.00 0.00 66.41 65.02 1hgb h THR 38 Cb 0.74 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 1hgb h THR 38 CO 0.00 0.17 -0.13 0.71 -0.25 0.00 0.00 175.52 176.02 1hgb h THR 39 N 0.00 1.13 0.00 6.82 1.35 -1.44 -2.20 112.91 118.58 1hgb h THR 39 Ca -0.00 -0.58 -0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1hgb h THR 39 Cb 0.52 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1hgb h THR 39 CO 0.02 0.17 -0.01 0.11 -0.25 0.00 0.00 175.52 175.57 1hgb h LYS 40 N 0.08 0.00 0.00 4.72 1.57 -1.66 -2.06 116.57 119.22 1hgb h LYS 40 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1hgb h LYS 40 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1hgb h LYS 40 CO 0.02 0.01 0.07 0.25 -0.57 0.00 0.00 179.45 179.22 1hgb n THR 41 N -3.53 1.09 0.93 -0.16 -2.24 -0.83 -0.34 114.28 109.22 1hgb n THR 41 Ca -0.03 0.70 0.10 0.00 -2.27 0.00 0.00 64.05 62.55 1hgb n THR 41 Cb 0.09 -1.70 0.01 0.00 -2.10 0.00 0.00 70.33 66.63 1hgb n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1hgb n TYR 42 N -2.07 0.00 -2.51 4.78 4.02 -0.77 -4.52 117.16 116.09 1hgb n TYR 42 Ca -0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.67 1hgb n TYR 42 Cb 0.09 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.43 1hgb n TYR 42 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1hgb n PHE 43 N 0.10 2.65 -0.37 -0.72 3.01 0.54 -4.88 117.46 117.79 1hgb n PHE 43 Ca 0.09 -2.92 0.02 0.00 1.01 0.00 0.00 57.45 55.65 1hgb n PHE 43 Cb 0.45 -0.19 0.17 0.00 -0.01 0.00 0.00 39.48 39.90 1hgb n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1hgb h PRO 44 N 2.67 1.17 0.00 -1.08 0.11 -1.79 -2.64 132.00 130.44 1hgb h PRO 44 Ca 0.18 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1hgb h PRO 44 Cb 1.06 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1hgb h PRO 44 CO 0.72 0.77 0.00 -2.39 -0.21 0.00 0.00 178.00 176.89 1hgb n HIS 45 N -4.48 0.00 -4.08 0.65 1.44 -1.26 -4.88 115.22 102.60 1hgb n HIS 45 Ca 0.15 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.62 1hgb n HIS 45 Cb 0.16 -0.05 -0.04 0.00 0.12 0.00 0.00 29.99 30.17 1hgb n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1hgb s PHE 46 N -2.11 3.17 -0.32 -1.40 0.40 -1.00 -5.07 117.98 111.65 1hgb s PHE 46 Ca 0.33 -0.06 -0.23 0.00 -0.60 0.00 0.00 56.93 56.37 1hgb s PHE 46 Cb 0.16 -1.47 0.00 0.00 0.51 0.00 0.00 43.02 42.22 1hgb s PHE 46 CO 0.28 0.51 0.77 0.34 0.70 0.00 0.00 175.22 177.83 1hgb s ASP 47 N -3.56 6.62 -0.31 1.36 -1.08 -1.26 -4.88 116.67 113.56 1hgb s ASP 47 Ca 0.32 0.58 0.07 0.00 -0.52 0.00 0.00 52.55 53.00 1hgb s ASP 47 Cb -0.09 -2.40 0.46 0.00 -1.46 0.00 0.00 42.92 39.44 1hgb s ASP 47 CO 0.25 -0.63 1.36 0.18 0.52 0.00 0.00 175.17 176.85 1hgb n LEU 48 N 6.22 4.50 -4.91 -1.34 4.77 -1.26 -4.48 117.00 120.50 1hgb n LEU 48 Ca 0.03 -4.26 -0.27 0.00 -0.03 0.00 0.00 56.01 51.49 1hgb n LEU 48 Cb 0.48 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1hgb n LEU 48 CO 0.51 1.66 0.41 -0.94 -1.33 0.00 0.00 177.39 177.70 1hgb s SER 49 N -3.06 6.20 -0.29 -1.43 1.04 -1.26 -5.00 113.70 109.90 1hgb s SER 49 Ca 0.48 0.82 -0.28 0.00 0.48 0.00 0.00 55.95 57.44 1hgb s SER 49 Cb 0.41 -2.15 -0.02 0.00 0.10 0.00 0.00 66.02 64.36 1hgb s SER 49 CO -0.00 -0.58 1.81 -2.28 0.98 0.00 0.00 173.24 173.17 1hgb s HIS 50 N -2.69 1.78 0.00 5.02 2.46 -1.26 -1.65 115.29 118.94 1hgb s HIS 50 Ca 0.47 0.57 0.00 0.00 0.47 0.00 0.00 55.06 56.57 1hgb s HIS 50 Cb -0.10 -4.09 0.00 0.00 -0.13 0.00 0.00 32.58 28.26 1hgb s HIS 50 CO 0.43 -3.14 0.00 0.41 -2.47 0.00 0.00 174.74 169.97 1hgb n GLY 51 N 5.31 2.15 1.76 1.59 0.00 -1.26 -5.06 105.19 109.67 1hgb n GLY 51 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1hgb n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1hgb n SER 52 N 0.00 -0.40 0.08 1.61 2.88 -0.66 -4.73 113.62 112.39 1hgb n SER 52 Ca 0.00 0.58 0.12 0.00 -1.33 0.00 0.00 58.87 58.25 1hgb n SER 52 Cb 0.00 -0.48 0.20 0.00 -0.75 0.00 0.00 64.21 63.18 1hgb n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hgb h ALA 53 N 0.89 0.67 -0.00 -1.46 0.00 -1.90 -2.97 119.26 114.49 1hgb h ALA 53 Ca -0.19 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 1hgb h ALA 53 Cb 0.74 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1hgb h ALA 53 CO 0.31 0.00 -0.86 0.37 0.00 0.00 0.00 179.25 179.07 1hgb h GLN 54 N 0.00 0.17 0.05 0.00 4.15 -1.85 -0.68 115.11 116.95 1hgb h GLN 54 Ca 0.00 -0.19 -0.09 0.00 0.77 0.00 0.00 58.65 59.14 1hgb h GLN 54 Cb 0.78 0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.53 1hgb h GLN 54 CO 0.00 0.93 -0.38 0.28 -1.93 0.00 0.00 178.83 177.73 1hgb h VAL 55 N 0.10 1.61 -0.30 2.39 2.07 -1.77 -2.23 116.25 118.12 1hgb h VAL 55 Ca -0.04 -2.27 0.07 0.00 0.82 0.00 0.00 66.70 65.28 1hgb h VAL 55 Cb 1.48 3.10 -0.08 0.00 -1.52 0.00 0.00 31.29 34.27 1hgb h VAL 55 CO 0.13 0.62 -0.24 0.11 0.02 0.00 0.00 177.57 178.21 1hgb h LYS 56 N -0.59 -0.21 0.10 1.57 1.57 -1.55 0.34 116.57 117.79 1hgb h LYS 56 Ca -0.06 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1hgb h LYS 56 Cb 1.23 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.56 1hgb h LYS 56 CO 0.07 -0.14 -0.24 0.78 -0.57 0.00 0.00 179.45 179.35 1hgb h GLY 57 N -0.22 -0.42 1.82 3.86 0.00 -1.20 -0.38 103.07 106.52 1hgb h GLY 57 Ca 0.15 0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.73 1hgb h GLY 57 CO -0.43 -0.21 -0.07 0.84 0.00 0.00 0.00 176.54 176.68 1hgb h HIS 58 N -0.43 0.24 -0.29 5.60 -0.00 -1.00 -2.02 115.15 117.25 1hgb h HIS 58 Ca 0.03 -0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.32 1hgb h HIS 58 Cb 0.46 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 1hgb h HIS 58 CO -0.23 0.31 -0.11 0.78 -0.00 0.00 0.00 177.93 178.68 1hgb h GLY 59 N 0.62 0.53 0.87 5.26 0.00 0.47 0.97 103.07 111.78 1hgb h GLY 59 Ca 0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1hgb h GLY 59 CO 0.01 0.33 0.01 1.70 0.00 0.00 0.00 176.54 178.60 1hgb h LYS 60 N 0.46 0.05 -0.12 4.80 3.64 -0.37 -2.07 116.57 122.95 1hgb h LYS 60 Ca 0.09 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1hgb h LYS 60 Cb 0.47 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 1hgb h LYS 60 CO 0.03 0.17 -0.14 0.87 -2.27 0.00 0.00 179.45 178.11 1hgb h LYS 61 N -0.09 -0.16 -0.52 1.90 1.57 -1.04 0.25 116.57 118.48 1hgb h LYS 61 Ca 0.01 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1hgb h LYS 61 Cb 0.14 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 1hgb h LYS 61 CO -0.00 -0.11 0.20 0.28 -0.57 0.00 0.00 179.45 179.25 1hgb h VAL 62 N -0.17 0.84 -0.51 0.50 2.07 -0.75 -2.37 116.25 115.87 1hgb h VAL 62 Ca 0.09 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1hgb h VAL 62 Cb 0.30 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1hgb h VAL 62 CO -0.22 0.07 0.30 0.00 0.02 0.00 0.00 177.57 177.74 1hgb h ALA 63 N 1.34 0.65 0.00 1.67 0.00 -0.61 -2.40 119.26 119.91 1hgb h ALA 63 Ca 0.25 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1hgb h ALA 63 Cb 0.25 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1hgb h ALA 63 CO -0.24 0.15 -0.16 -0.44 0.00 0.00 0.00 179.25 178.56 1hgb h ASP 64 N 0.68 0.00 -0.03 0.00 5.19 -0.08 0.61 116.42 122.78 1hgb h ASP 64 Ca 0.18 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.37 1hgb h ASP 64 Cb 0.01 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.53 1hgb h ASP 64 CO -0.03 0.16 -0.82 0.00 -3.12 0.00 0.00 179.24 175.42 1hgb h ALA 65 N 1.84 0.33 -0.22 3.45 0.00 -1.03 -2.14 119.26 121.49 1hgb h ALA 65 Ca -0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 54.91 54.16 1hgb h ALA 65 Cb 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1hgb h ALA 65 CO 0.02 0.70 -0.34 -0.07 0.00 0.00 0.00 179.25 179.56 1hgb h LEU 66 N 0.46 0.68 -0.85 0.00 3.38 -0.84 0.85 115.31 118.99 1hgb h LEU 66 Ca -0.06 -0.52 0.04 0.00 0.09 0.00 0.00 57.88 57.43 1hgb h LEU 66 Cb 1.45 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 1hgb h LEU 66 CO 0.16 1.07 0.54 0.74 0.09 0.00 0.00 178.44 181.04 1hgb h THR 67 N 0.31 1.10 -0.04 0.22 2.02 -0.92 0.28 112.91 115.88 1hgb h THR 67 Ca 0.02 -0.35 -0.12 0.00 0.77 0.00 0.00 66.41 66.73 1hgb h THR 67 Cb 0.93 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1hgb h THR 67 CO 0.08 0.19 -0.53 -1.13 0.37 0.00 0.00 175.52 174.50 1hgb h ASN 68 N 1.02 0.12 -0.34 4.18 -1.24 -1.30 0.22 115.58 118.24 1hgb h ASN 68 Ca 0.35 -0.06 -0.15 0.00 0.71 0.00 0.00 56.30 57.14 1hgb h ASN 68 Cb 0.07 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.08 1hgb h ASN 68 CO -0.14 0.63 -0.39 0.00 -1.29 0.00 0.00 177.43 176.24 1hgb h ALA 69 N 1.38 0.51 -0.61 1.57 0.00 0.79 -2.41 119.26 120.48 1hgb h ALA 69 Ca -0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 1hgb h ALA 69 Cb 0.96 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1hgb h ALA 69 CO 0.07 0.61 0.02 0.28 0.00 0.00 0.00 179.25 180.24 1hgb h VAL 70 N 0.66 1.27 -0.28 0.00 2.07 -0.15 -1.67 116.25 118.15 1hgb h VAL 70 Ca 0.05 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1hgb h VAL 70 Cb 0.99 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1hgb h VAL 70 CO 0.09 0.41 0.09 0.00 0.02 0.00 0.00 177.57 178.19 1hgb h ALA 71 N 1.00 1.65 -0.66 1.67 0.00 -0.50 -3.00 119.26 119.41 1hgb h ALA 71 Ca 0.18 -0.09 -0.47 0.00 0.00 0.00 0.00 54.91 54.52 1hgb h ALA 71 Cb 0.53 -0.12 -0.33 0.00 0.00 0.00 0.00 17.79 17.87 1hgb h ALA 71 CO 0.03 0.28 -0.50 0.72 0.00 0.00 0.00 179.25 179.78 1hgb n HIS 72 N -4.41 2.35 -0.36 0.00 8.25 -0.91 -4.87 115.22 115.28 1hgb n HIS 72 Ca 0.01 -2.19 0.35 0.00 -0.26 0.00 0.00 57.72 55.63 1hgb n HIS 72 Cb 0.14 -0.49 0.72 0.00 1.12 0.00 0.00 29.99 31.49 1hgb n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1hgb h VAL 73 N 1.79 0.38 -0.12 1.59 3.04 -1.16 0.50 116.25 122.25 1hgb h VAL 73 Ca 0.35 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 66.02 1hgb h VAL 73 Cb 1.40 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 1hgb h VAL 73 CO 0.75 0.01 0.00 0.47 -1.01 0.00 0.00 177.57 177.79 1hgb n ASP 74 N -4.23 1.58 -2.80 3.17 8.00 -1.26 -4.22 116.55 116.79 1hgb n ASP 74 Ca 0.27 -1.64 -0.10 0.00 0.71 0.00 0.00 54.79 54.03 1hgb n ASP 74 Cb 1.27 -0.08 0.07 0.00 -0.02 0.00 0.00 41.12 42.37 1hgb n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1hgb n ASP 75 N 0.26 -1.59 -0.06 -2.24 2.03 0.17 -4.98 116.55 110.13 1hgb n ASP 75 Ca 0.17 -3.37 -0.13 0.00 0.52 0.00 0.00 54.79 51.98 1hgb n ASP 75 Cb 0.33 1.27 -0.01 0.00 -0.72 0.00 0.00 41.12 42.00 1hgb n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1hgb h MET 76 N 2.86 0.78 -0.61 -0.67 2.86 -1.66 -1.45 114.93 117.04 1hgb h MET 76 Ca -0.09 -0.48 0.13 0.00 -2.06 0.00 0.00 59.70 57.19 1hgb h MET 76 Cb 1.11 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 32.72 1hgb h MET 76 CO 0.18 1.11 -0.03 -1.35 1.06 0.00 0.00 176.91 177.88 1hgb h PRO 77 N 0.60 0.09 0.09 -0.22 0.11 -1.94 0.04 132.00 130.78 1hgb h PRO 77 Ca 0.02 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.95 1hgb h PRO 77 Cb 1.11 -0.02 0.02 0.00 0.11 0.00 0.00 31.00 32.22 1hgb h PRO 77 CO 0.11 0.06 -0.73 -0.91 -0.21 0.00 0.00 178.00 176.32 1hgb h ASN 78 N 0.09 0.49 -0.62 -2.05 4.21 -1.95 -2.28 115.58 113.47 1hgb h ASN 78 Ca 0.31 -0.88 0.05 0.00 1.21 0.00 0.00 56.30 56.99 1hgb h ASN 78 Cb 0.50 -0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 37.51 1hgb h ASN 78 CO -0.54 1.33 0.41 0.00 -1.29 0.00 0.00 177.43 177.34 1hgb h ALA 79 N 0.17 1.74 -0.35 -0.83 0.00 -0.93 -2.87 119.26 116.20 1hgb h ALA 79 Ca -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1hgb h ALA 79 Cb 1.52 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1hgb h ALA 79 CO 0.14 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.84 1hgb n LEU 80 N -4.47 2.96 -0.35 0.00 4.77 -0.03 -4.74 117.00 115.14 1hgb n LEU 80 Ca 0.08 -1.76 0.12 0.00 -0.03 0.00 0.00 56.01 54.42 1hgb n LEU 80 Cb 0.19 -0.23 0.30 0.00 -2.33 0.00 0.00 43.42 41.36 1hgb n LEU 80 CO 0.34 0.70 1.19 0.77 -1.33 0.00 0.00 177.39 179.07 1hgb h SER 81 N 2.67 0.79 -0.37 -1.43 4.64 -1.17 -1.05 113.55 117.63 1hgb h SER 81 Ca 0.00 0.09 0.04 0.00 -0.47 0.00 0.00 61.79 61.45 1hgb h SER 81 Cb 0.75 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.75 1hgb h SER 81 CO 0.00 0.31 0.13 0.00 -0.87 0.00 0.00 176.83 176.39 1hgb h ALA 82 N 1.62 0.43 -0.08 5.18 0.00 -1.85 -1.39 119.26 123.18 1hgb h ALA 82 Ca 0.56 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.40 1hgb h ALA 82 Cb 0.82 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1hgb h ALA 82 CO -0.36 -0.26 -0.49 -0.07 0.00 0.00 0.00 179.25 178.06 1hgb h LEU 83 N 0.28 0.21 -0.26 0.00 3.38 -1.63 -2.51 115.31 114.79 1hgb h LEU 83 Ca 0.17 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1hgb h LEU 83 Cb 0.15 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1hgb h LEU 83 CO -0.18 0.67 -0.01 0.28 0.09 0.00 0.00 178.44 179.29 1hgb h SER 84 N 0.16 0.46 -0.12 -0.43 0.02 -0.72 -1.60 113.55 111.30 1hgb h SER 84 Ca 0.01 -0.32 0.03 0.00 -0.84 0.00 0.00 61.79 60.66 1hgb h SER 84 Cb 0.92 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 1hgb h SER 84 CO 0.07 0.67 -0.07 0.44 -1.14 0.00 0.00 176.83 176.81 1hgb h ASP 85 N 0.23 -0.22 0.47 3.07 3.32 -1.23 0.90 116.42 122.96 1hgb h ASP 85 Ca 0.07 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1hgb h ASP 85 Cb 0.45 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1hgb h ASP 85 CO 0.02 -0.09 -0.35 0.25 -1.72 0.00 0.00 179.24 177.34 1hgb h LEU 86 N -0.06 -0.91 -0.61 1.55 7.12 -1.41 1.09 115.31 122.07 1hgb h LEU 86 Ca 0.07 0.07 -0.08 0.00 0.13 0.00 0.00 57.88 58.07 1hgb h LEU 86 Cb 0.17 0.29 -0.02 0.00 -0.53 0.00 0.00 40.66 40.56 1hgb h LEU 86 CO -0.16 -0.52 0.09 0.45 -0.13 0.00 0.00 178.44 178.16 1hgb h HIS 87 N -0.80 1.09 -0.28 1.25 3.86 -1.26 0.08 115.15 119.09 1hgb h HIS 87 Ca -0.05 -0.16 -0.12 0.00 -1.16 0.00 0.00 60.37 58.89 1hgb h HIS 87 Cb 0.68 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 1hgb h HIS 87 CO -0.15 0.94 -0.28 0.00 0.86 0.00 0.00 177.93 179.30 1hgb h ALA 88 N 1.02 0.41 0.00 2.45 0.00 -0.67 0.75 119.26 123.22 1hgb h ALA 88 Ca 0.18 -0.40 -0.38 0.00 0.00 0.00 0.00 54.91 54.32 1hgb h ALA 88 Cb 0.45 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1hgb h ALA 88 CO 0.01 0.41 -2.42 0.72 0.00 0.00 0.00 179.25 177.98 1hgb n HIS 89 N -4.28 0.00 -0.09 0.00 8.25 0.37 -4.38 115.22 115.09 1hgb n HIS 89 Ca -0.04 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.31 1hgb n HIS 89 Cb 0.46 -1.00 -0.04 0.00 1.12 0.00 0.00 29.99 30.54 1hgb n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1hgb n LYS 90 N -2.94 0.53 -0.06 -0.41 4.76 -0.03 -4.75 118.16 115.25 1hgb n LYS 90 Ca -0.38 0.26 -0.14 0.00 -2.87 0.00 0.00 58.31 55.19 1hgb n LYS 90 Cb 1.10 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 32.75 1hgb n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1hgb h LEU 91 N -1.00 0.56 -2.00 -0.35 3.38 -1.56 -3.49 115.31 110.85 1hgb h LEU 91 Ca -0.07 -0.51 -0.36 0.00 0.09 0.00 0.00 57.88 57.02 1hgb h LEU 91 Cb 1.00 -0.16 0.12 0.00 0.09 0.00 0.00 40.66 41.71 1hgb h LEU 91 CO -0.04 0.96 -0.83 0.54 0.09 0.00 0.00 178.44 179.16 1hgb n ARG 92 N -4.38 -4.60 -2.75 1.13 1.74 0.25 -4.95 116.66 103.10 1hgb n ARG 92 Ca -0.06 0.72 -0.42 0.00 -0.77 0.00 0.00 57.85 57.33 1hgb n ARG 92 Cb 0.45 -5.42 -0.03 0.00 -1.02 0.00 0.00 32.46 26.44 1hgb n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1hgb s VAL 93 N -3.50 4.81 0.18 1.55 1.01 -1.24 -4.99 120.40 118.22 1hgb s VAL 93 Ca 0.13 1.92 -0.32 0.00 0.00 0.00 0.00 61.98 63.71 1hgb s VAL 93 Cb -0.03 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 31.98 1hgb s VAL 93 CO 0.78 0.01 1.75 -0.62 0.00 0.00 0.00 175.10 177.01 1hgb s ASP 94 N 1.11 6.41 0.54 3.32 -1.08 -1.26 -4.82 116.67 120.88 1hgb s ASP 94 Ca 0.45 2.82 0.42 0.00 -0.52 0.00 0.00 52.55 55.71 1hgb s ASP 94 Cb -0.18 -2.59 1.61 0.00 -1.46 0.00 0.00 42.92 40.31 1hgb s ASP 94 CO 0.16 -0.97 1.69 -0.65 0.52 0.00 0.00 175.17 175.91 1hgb h PRO 95 N 7.38 0.02 0.00 4.34 0.11 -1.99 0.07 132.00 141.94 1hgb h PRO 95 Ca -0.44 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 1hgb h PRO 95 Cb 1.21 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1hgb h PRO 95 CO 0.95 0.01 -0.09 -0.24 -0.21 0.00 0.00 178.00 178.42 1hgb h VAL 96 N 0.02 0.28 0.00 3.15 3.04 -2.03 -2.95 116.25 117.76 1hgb h VAL 96 Ca 0.75 -0.65 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 1hgb h VAL 96 Cb 2.94 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 33.73 1hgb h VAL 96 CO -0.05 0.09 0.00 0.78 -1.01 0.00 0.00 177.57 177.38 1hgb h ASN 97 N 0.00 0.00 -0.43 3.17 4.21 -1.33 -3.11 115.58 118.09 1hgb h ASN 97 Ca -0.00 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.40 1hgb h ASN 97 Cb 0.50 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.68 1hgb h ASN 97 CO 0.01 0.00 -0.13 -0.26 -1.29 0.00 0.00 177.43 175.76 1hgb h PHE 98 N 0.00 1.00 -0.23 1.19 0.04 -1.69 -2.01 116.94 115.24 1hgb h PHE 98 Ca 0.00 -0.20 -0.08 0.00 2.80 0.00 0.00 57.97 60.49 1hgb h PHE 98 Cb 0.75 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 1hgb h PHE 98 CO 0.00 0.97 -0.21 0.87 -0.60 0.00 0.00 178.31 179.34 1hgb h LYS 99 N 0.80 0.40 -0.15 1.51 6.56 -1.70 -2.28 116.57 121.72 1hgb h LYS 99 Ca 0.13 -0.13 -0.22 0.00 -1.06 0.00 0.00 60.65 59.37 1hgb h LYS 99 Cb 0.66 -0.03 0.01 0.00 -0.57 0.00 0.00 32.23 32.30 1hgb h LYS 99 CO 0.05 0.59 -0.75 -0.07 -2.06 0.00 0.00 179.45 177.22 1hgb h LEU 100 N 0.37 0.91 -0.49 2.94 3.38 -1.56 -2.07 115.31 118.79 1hgb h LEU 100 Ca 0.06 -0.63 -0.11 0.00 0.09 0.00 0.00 57.88 57.29 1hgb h LEU 100 Cb 0.57 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1hgb h LEU 100 CO 0.04 1.40 -0.12 0.25 0.09 0.00 0.00 178.44 180.09 1hgb h LEU 101 N 0.49 0.96 -0.28 1.67 5.85 -1.29 -2.25 115.31 120.46 1hgb h LEU 101 Ca -0.05 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.36 1hgb h LEU 101 Cb 1.38 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 1hgb h LEU 101 CO 0.15 1.10 -0.00 0.28 -0.34 0.00 0.00 178.44 179.63 1hgb h SER 102 N 0.80 -0.12 -0.38 1.25 0.02 -1.41 0.50 113.55 114.21 1hgb h SER 102 Ca 0.12 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.19 1hgb h SER 102 Cb 0.68 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.29 1hgb h SER 102 CO 0.05 -0.03 0.12 -0.74 -1.14 0.00 0.00 176.83 175.09 1hgb h HIS 103 N 0.08 0.21 -0.44 3.45 -0.00 -1.24 -1.53 115.15 115.68 1hgb h HIS 103 Ca 0.13 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.51 1hgb h HIS 103 Cb 0.18 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 1hgb h HIS 103 CO -0.22 0.07 0.21 0.00 -0.00 0.00 0.00 177.93 178.00 1hgb h LEU 105 N 0.62 0.01 -0.41 0.00 5.85 -0.12 0.76 115.31 122.02 1hgb h LEU 105 Ca 0.16 -0.33 0.08 0.00 0.84 0.00 0.00 57.88 58.62 1hgb h LEU 105 Cb 0.08 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 1hgb h LEU 105 CO -0.02 0.34 -0.00 0.25 -0.34 0.00 0.00 178.44 178.67 1hgb h LEU 106 N -0.32 -0.17 -0.79 2.25 5.85 -1.09 0.39 115.31 121.43 1hgb h LEU 106 Ca 0.00 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1hgb h LEU 106 Cb 0.33 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1hgb h LEU 106 CO 0.00 -0.05 0.32 0.58 -0.34 0.00 0.00 178.44 178.95 1hgb h VAL 107 N 0.10 1.26 -0.32 1.05 2.07 -0.90 -0.96 116.25 118.56 1hgb h VAL 107 Ca 0.20 -0.81 -0.14 0.00 0.82 0.00 0.00 66.70 66.77 1hgb h VAL 107 Cb 0.29 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1hgb h VAL 107 CO -0.34 0.33 -0.38 0.74 0.02 0.00 0.00 177.57 177.94 1hgb h THR 108 N 1.14 1.29 -0.38 2.57 2.02 0.51 -2.52 112.91 117.53 1hgb h THR 108 Ca 0.26 -1.55 -0.12 0.00 0.77 0.00 0.00 66.41 65.77 1hgb h THR 108 Cb 0.21 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1hgb h THR 108 CO -0.02 0.50 -0.25 -0.07 0.37 0.00 0.00 175.52 176.05 1hgb h LEU 109 N 0.61 0.80 -0.62 2.58 3.38 -0.04 -2.74 115.31 119.29 1hgb h LEU 109 Ca 0.05 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.60 1hgb h LEU 109 Cb 0.92 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1hgb h LEU 109 CO 0.08 1.02 -0.18 0.00 0.09 0.00 0.00 178.44 179.46 1hgb h ALA 110 N 1.04 0.81 -0.13 1.53 0.00 -1.16 0.19 119.26 121.55 1hgb h ALA 110 Ca 0.09 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1hgb h ALA 110 Cb 0.77 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1hgb h ALA 110 CO 0.06 0.65 -0.32 0.00 0.00 0.00 0.00 179.25 179.64 1hgb h ALA 111 N 1.00 1.23 0.01 0.00 0.00 -1.31 -3.34 119.26 116.84 1hgb h ALA 111 Ca 0.11 -0.35 -0.37 0.00 0.00 0.00 0.00 54.91 54.30 1hgb h ALA 111 Cb 0.72 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1hgb h ALA 111 CO 0.06 0.52 -2.35 0.72 0.00 0.00 0.00 179.25 178.19 1hgb n HIS 112 N -4.10 0.18 -2.68 0.00 -0.00 -1.04 -4.73 115.22 102.84 1hgb n HIS 112 Ca -0.01 0.05 -0.33 0.00 -0.00 0.00 0.00 57.72 57.42 1hgb n HIS 112 Cb 0.41 -1.03 -0.01 0.00 -0.00 0.00 0.00 29.99 29.37 1hgb n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1hgb n LEU 113 N -3.08 5.82 -0.38 2.41 4.77 0.66 -4.93 117.00 122.27 1hgb n LEU 113 Ca -0.38 -5.44 0.01 0.00 -0.03 0.00 0.00 56.01 50.16 1hgb n LEU 113 Cb 1.06 -0.81 0.07 0.00 -2.33 0.00 0.00 43.42 41.41 1hgb n LEU 113 CO 0.35 2.18 0.60 -2.65 -1.33 0.00 0.00 177.39 176.54 1hgb n PRO 114 N -0.24 -0.20 0.07 3.23 -0.01 -1.26 -0.46 135.00 136.13 1hgb n PRO 114 Ca 0.40 1.53 -0.12 0.00 -0.01 0.00 0.00 63.50 65.31 1hgb n PRO 114 Cb 0.36 -2.28 -0.05 0.00 -0.01 0.00 0.00 33.50 31.52 1hgb n PRO 114 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1hgb h ALA 115 N 1.52 -0.16 0.00 3.55 0.00 -1.94 -3.27 119.26 118.96 1hgb h ALA 115 Ca 0.38 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 1hgb h ALA 115 Cb 0.63 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1hgb h ALA 115 CO -0.99 -0.62 -0.72 1.05 0.00 0.00 0.00 179.25 177.97 1hgb h GLU 116 N -0.22 0.00 -3.62 0.00 9.09 -1.79 -3.40 114.58 114.64 1hgb h GLU 116 Ca 0.03 0.00 -0.36 0.00 0.05 0.00 0.00 59.36 59.08 1hgb h GLU 116 Cb 0.26 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.38 1hgb h GLU 116 CO -0.09 0.43 2.37 0.34 0.05 0.00 0.00 179.01 182.10 1hgb n PHE 117 N -3.13 1.23 -2.56 2.06 7.35 0.39 -4.73 117.46 118.07 1hgb n PHE 117 Ca -0.01 -1.75 -0.32 0.00 -0.76 0.00 0.00 57.45 54.61 1hgb n PHE 117 Cb 0.75 -1.53 -0.05 0.00 0.35 0.00 0.00 39.48 39.00 1hgb n PHE 117 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1hgb s THR 118 N 3.79 4.49 0.19 -2.13 2.01 -1.26 -4.79 115.64 117.95 1hgb s THR 118 Ca 0.36 1.29 -0.16 0.00 0.31 0.00 0.00 61.69 63.50 1hgb s THR 118 Cb 0.09 -3.68 0.17 0.00 0.01 0.00 0.00 72.50 69.09 1hgb s THR 118 CO -0.01 -0.56 1.64 -0.65 -0.69 0.00 0.00 174.62 174.35 1hgb h PRO 119 N 1.27 -0.03 -0.94 4.92 0.11 -1.98 1.28 132.00 136.64 1hgb h PRO 119 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1hgb h PRO 119 Cb 1.18 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1hgb h PRO 119 CO 0.61 -0.02 0.56 0.00 -0.21 0.00 0.00 178.00 178.95 1hgb h ALA 120 N 1.47 1.22 -0.13 -0.75 0.00 -1.96 -0.74 119.26 118.38 1hgb h ALA 120 Ca 0.25 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1hgb h ALA 120 Cb 0.41 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1hgb h ALA 120 CO -0.56 0.66 -0.49 0.28 0.00 0.00 0.00 179.25 179.14 1hgb h VAL 121 N 1.29 1.35 -0.42 0.00 2.07 -1.15 -2.10 116.25 117.30 1hgb h VAL 121 Ca 0.34 -1.79 0.06 0.00 0.82 0.00 0.00 66.70 66.13 1hgb h VAL 121 Cb -0.05 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 1hgb h VAL 121 CO -0.06 0.54 0.10 -0.74 0.02 0.00 0.00 177.57 177.43 1hgb h HIS 122 N 0.18 0.16 -0.61 1.57 6.17 0.18 0.10 115.15 122.90 1hgb h HIS 122 Ca -0.03 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.08 1hgb h HIS 122 Cb 1.13 -0.01 -0.03 0.00 2.52 0.00 0.00 27.41 31.02 1hgb h HIS 122 CO 0.11 0.03 0.37 0.00 0.71 0.00 0.00 177.93 179.14 1hgb h ALA 123 N 1.31 0.77 -0.07 5.26 0.00 -1.12 -0.41 119.26 125.01 1hgb h ALA 123 Ca 0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1hgb h ALA 123 Cb 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1hgb h ALA 123 CO -0.25 0.25 0.03 0.77 0.00 0.00 0.00 179.25 180.04 1hgb h SER 124 N 0.82 0.09 -0.18 0.00 0.02 -0.82 -1.75 113.55 111.73 1hgb h SER 124 Ca 0.22 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 1hgb h SER 124 Cb -0.02 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1hgb h SER 124 CO -0.04 0.22 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.65 1hgb h LEU 125 N -0.05 0.57 -0.41 5.07 3.38 -0.92 0.15 115.31 123.10 1hgb h LEU 125 Ca 0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1hgb h LEU 125 Cb 0.16 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1hgb h LEU 125 CO -0.00 0.74 0.17 -0.78 0.09 0.00 0.00 178.44 178.66 1hgb h ASP 126 N 0.53 0.56 -0.51 -0.43 3.58 -0.94 -1.29 116.42 117.90 1hgb h ASP 126 Ca 0.09 -0.16 -0.09 0.00 0.42 0.00 0.00 57.03 57.29 1hgb h ASP 126 Cb 0.57 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1hgb h ASP 126 CO 0.04 0.56 -0.03 0.11 -2.88 0.00 0.00 179.24 177.04 1hgb h LYS 127 N 0.51 0.97 0.21 0.28 1.57 -0.80 -2.10 116.57 117.21 1hgb h LYS 127 Ca 0.14 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1hgb h LYS 127 Cb 0.18 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1hgb h LYS 127 CO -0.01 0.97 -0.10 0.35 -0.57 0.00 0.00 179.45 180.09 1hgb h PHE 128 N 0.88 -0.26 -0.38 -1.35 3.57 -0.53 -1.39 116.94 117.49 1hgb h PHE 128 Ca 0.16 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1hgb h PHE 128 Cb 0.56 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1hgb h PHE 128 CO 0.04 -0.05 0.25 -0.07 -2.23 0.00 0.00 178.31 176.24 1hgb h LEU 129 N -0.42 0.44 -0.77 0.59 3.38 -1.20 0.64 115.31 117.96 1hgb h LEU 129 Ca -0.03 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1hgb h LEU 129 Cb 0.32 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1hgb h LEU 129 CO 0.05 0.33 -0.37 0.00 0.09 0.00 0.00 178.44 178.54 1hgb h ALA 130 N 1.75 0.95 -0.16 1.53 0.00 -1.23 -1.74 119.26 120.35 1hgb h ALA 130 Ca 0.14 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 1hgb h ALA 130 Cb -0.05 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1hgb h ALA 130 CO -0.03 0.62 -0.58 0.66 0.00 0.00 0.00 179.25 179.92 1hgb h SER 131 N 0.42 0.79 -0.38 0.00 4.64 -0.01 -1.52 113.55 117.49 1hgb h SER 131 Ca 0.04 -0.60 0.03 0.00 -0.47 0.00 0.00 61.79 60.79 1hgb h SER 131 Cb 0.83 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 1hgb h SER 131 CO 0.07 1.26 0.18 0.58 -0.87 0.00 0.00 176.83 178.04 1hgb h VAL 132 N 0.37 0.95 -0.95 0.95 2.07 -0.86 -1.91 116.25 116.87 1hgb h VAL 132 Ca -0.03 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1hgb h VAL 132 Cb 1.20 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1hgb h VAL 132 CO 0.12 0.07 0.60 0.28 0.02 0.00 0.00 177.57 178.66 1hgb h SER 133 N 0.36 1.11 -0.37 0.57 0.02 -1.26 -0.69 113.55 113.29 1hgb h SER 133 Ca 0.17 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 1hgb h SER 133 Cb 0.09 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1hgb h SER 133 CO -0.13 0.83 -0.04 0.74 -1.14 0.00 0.00 176.83 177.09 1hgb h THR 134 N 1.30 1.25 0.43 -2.27 2.02 -0.77 -2.55 112.91 112.31 1hgb h THR 134 Ca 0.34 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 1hgb h THR 134 Cb -0.10 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1hgb h THR 134 CO -0.07 0.37 -0.21 0.58 0.37 0.00 0.00 175.52 176.56 1hgb h VAL 135 N 0.72 0.45 -0.38 3.16 2.07 -0.67 -2.86 116.25 118.74 1hgb h VAL 135 Ca 0.13 -0.52 0.11 0.00 0.82 0.00 0.00 66.70 67.24 1hgb h VAL 135 Cb 0.50 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1hgb h VAL 135 CO 0.03 0.08 0.35 -0.07 0.02 0.00 0.00 177.57 177.97 1hgb h LEU 136 N -0.93 0.00 -3.08 2.57 3.38 -1.12 -1.74 115.31 114.39 1hgb h LEU 136 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1hgb h LEU 136 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1hgb h LEU 136 CO 0.10 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.98 1hgb n THR 137 N -3.94 1.87 0.23 0.22 -2.24 -0.97 -4.37 114.28 105.08 1hgb n THR 137 Ca 0.06 -1.92 0.11 0.00 -2.27 0.00 0.00 64.05 60.04 1hgb n THR 137 Cb 0.53 -0.11 0.41 0.00 -2.10 0.00 0.00 70.33 69.05 1hgb n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1hgb h SER 138 N 0.74 0.00 -0.50 3.42 4.64 -1.07 -3.16 113.55 117.62 1hgb h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hgb h SER 138 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1hgb h SER 138 CO 0.07 0.16 0.00 0.29 -0.87 0.00 0.00 176.83 176.49 1hgb n LYS 139 N -3.24 3.44 0.27 4.77 5.02 -1.26 -4.62 118.16 122.54 1hgb n LYS 139 Ca 0.01 -2.72 0.12 0.00 -2.02 0.00 0.00 58.31 53.70 1hgb n LYS 139 Cb 0.45 -1.77 0.77 0.00 -0.02 0.00 0.00 35.03 34.46 1hgb n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1hgb h TYR 140 N 3.17 0.00 0.00 2.13 -1.99 -1.86 -3.46 116.97 114.96 1hgb h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1hgb h TYR 140 Cb 1.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.06 1hgb h TYR 140 CO 0.61 0.06 0.00 2.89 -0.00 0.00 0.00 178.16 181.73