#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hgb s HIS 2 N 0.00 3.68 -0.13 6.34 3.76 -1.26 -4.69 115.29 122.99 1hgb s HIS 2 Ca 0.00 -1.89 -0.07 0.00 -0.15 0.00 0.00 55.06 52.95 1hgb s HIS 2 Cb 0.00 -3.83 -0.04 0.00 1.11 0.00 0.00 32.58 29.82 1hgb s HIS 2 CO 0.00 -1.01 0.11 -0.51 -0.85 0.00 0.00 174.74 172.48 1hgb s LEU 3 N 0.42 4.17 1.26 0.89 1.02 -1.26 -5.10 118.68 120.08 1hgb s LEU 3 Ca 0.17 0.34 -0.18 0.00 0.02 0.00 0.00 54.13 54.47 1hgb s LEU 3 Cb -0.12 -2.02 0.28 0.00 0.02 0.00 0.00 46.19 44.35 1hgb s LEU 3 CO -0.07 0.35 0.67 1.07 0.02 0.00 0.00 176.35 178.38 1hgb n THR 4 N 2.39 0.00 0.47 5.49 5.66 -1.26 -4.71 114.28 122.32 1hgb n THR 4 Ca -0.19 -0.20 0.12 0.00 -3.05 0.00 0.00 64.05 60.74 1hgb n THR 4 Cb 0.54 -0.84 0.25 0.00 -1.55 0.00 0.00 70.33 68.73 1hgb n THR 4 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1hgb h PRO 5 N -2.99 0.00 0.00 1.09 0.13 -1.98 -2.28 132.00 125.96 1hgb h PRO 5 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1hgb h PRO 5 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1hgb h PRO 5 CO 0.32 0.00 -1.13 -1.91 -0.23 0.00 0.00 178.00 175.05 1hgb n GLU 6 N -2.43 0.25 0.02 0.86 4.07 -1.26 -2.36 120.64 119.79 1hgb n GLU 6 Ca 0.04 -0.03 -0.11 0.00 -0.06 0.00 0.00 57.16 57.00 1hgb n GLU 6 Cb 0.47 -1.56 -0.08 0.00 -0.06 0.00 0.00 31.44 30.21 1hgb n GLU 6 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1hgb h GLU 7 N 0.00 -0.13 0.00 5.31 5.08 -1.84 -1.57 114.58 121.43 1hgb h GLU 7 Ca 0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1hgb h GLU 7 Cb 0.70 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1hgb h GLU 7 CO 0.00 0.38 -0.12 1.57 -1.00 0.00 0.00 179.01 179.84 1hgb h LYS 8 N -0.84 0.00 0.02 2.33 2.10 -1.54 0.33 116.57 118.96 1hgb h LYS 8 Ca -0.01 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.42 1hgb h LYS 8 Cb 0.57 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.88 1hgb h LYS 8 CO 0.02 0.12 -0.99 1.03 -2.00 0.00 0.00 179.45 177.63 1hgb h SER 9 N 0.00 0.10 0.16 7.07 0.87 -1.46 -2.74 113.55 117.56 1hgb h SER 9 Ca -0.00 -0.10 -0.24 0.00 -1.23 0.00 0.00 61.79 60.22 1hgb h SER 9 Cb 0.35 -0.03 0.02 0.00 -0.44 0.00 0.00 62.40 62.30 1hgb h SER 9 CO 0.02 1.03 -1.09 0.00 -0.53 0.00 0.00 176.83 176.25 1hgb h ALA 10 N 0.96 -0.05 -0.35 6.23 0.00 -0.68 -0.91 119.26 124.45 1hgb h ALA 10 Ca -0.03 -0.82 0.06 0.00 0.00 0.00 0.00 54.91 54.12 1hgb h ALA 10 Cb 1.71 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.65 1hgb h ALA 10 CO 0.14 0.54 0.02 0.28 0.00 0.00 0.00 179.25 180.23 1hgb h VAL 11 N -0.24 0.76 -0.07 0.00 2.07 -0.45 -2.67 116.25 115.66 1hgb h VAL 11 Ca -0.20 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1hgb h VAL 11 Cb 1.79 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1hgb h VAL 11 CO 0.16 0.02 0.02 0.74 0.02 0.00 0.00 177.57 178.53 1hgb h THR 12 N 0.12 0.98 -0.58 2.57 2.02 -1.57 -1.81 112.91 114.65 1hgb h THR 12 Ca 0.17 -0.02 0.08 0.00 0.77 0.00 0.00 66.41 67.42 1hgb h THR 12 Cb 0.23 0.92 -0.07 0.00 -1.74 0.00 0.00 68.15 67.49 1hgb h THR 12 CO -0.27 0.01 0.22 0.00 0.37 0.00 0.00 175.52 175.85 1hgb h ALA 13 N 1.05 0.73 -0.07 6.16 0.00 -0.85 -2.86 119.26 123.42 1hgb h ALA 13 Ca 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1hgb h ALA 13 Cb 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1hgb h ALA 13 CO -0.03 -0.18 -0.09 1.25 0.00 0.00 0.00 179.25 180.19 1hgb h LEU 14 N 0.41 0.20 -1.38 0.00 5.85 -1.45 -3.22 115.31 115.72 1hgb h LEU 14 Ca 0.28 -0.52 0.23 0.00 0.84 0.00 0.00 57.88 58.71 1hgb h LEU 14 Cb 0.32 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.21 1hgb h LEU 14 CO -0.28 0.68 0.63 -0.25 -0.34 0.00 0.00 178.44 178.89 1hgb h TRP 15 N -0.27 0.66 0.00 1.25 2.91 -1.14 0.50 115.95 119.87 1hgb h TRP 15 Ca 0.01 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.05 1hgb h TRP 15 Cb 0.63 -0.20 -0.00 0.00 -0.51 0.00 0.00 29.16 29.09 1hgb h TRP 15 CO 0.10 0.12 -0.00 0.78 -1.03 0.00 0.00 178.44 178.41 1hgb h GLY 16 N 0.45 0.00 -0.17 2.65 0.00 -1.52 -1.26 103.07 103.23 1hgb h GLY 16 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1hgb h GLY 16 CO -0.25 0.00 -0.64 0.28 0.00 0.00 0.00 176.54 175.92 1hgb n LYS 17 N -3.21 0.54 -2.81 4.80 5.02 0.17 -4.94 118.16 117.73 1hgb n LYS 17 Ca -0.03 -0.41 -0.40 0.00 -2.02 0.00 0.00 58.31 55.45 1hgb n LYS 17 Cb 0.08 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 1hgb n LYS 17 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1hgb s VAL 18 N -2.75 4.24 -0.77 -0.18 -7.23 -0.48 -5.00 120.40 108.23 1hgb s VAL 18 Ca 0.14 1.98 -0.17 0.00 -1.81 0.00 0.00 61.98 62.12 1hgb s VAL 18 Cb 0.17 -4.28 0.15 0.00 0.56 0.00 0.00 36.38 32.99 1hgb s VAL 18 CO 0.69 0.47 0.85 0.21 -0.31 0.00 0.00 175.10 177.02 1hgb s ASN 19 N -0.93 6.51 0.31 4.85 2.47 -1.26 -4.93 114.94 121.96 1hgb s ASN 19 Ca 0.41 -2.05 0.07 0.00 0.42 0.00 0.00 52.86 51.71 1hgb s ASN 19 Cb -0.25 -2.30 0.76 0.00 -1.45 0.00 0.00 41.25 38.02 1hgb s ASN 19 CO 0.30 -0.91 1.78 0.58 -3.72 0.00 0.00 177.10 175.12 1hgb h VAL 20 N 5.51 0.69 -0.48 -5.21 2.07 -1.94 -0.68 116.25 116.22 1hgb h VAL 20 Ca -0.02 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.32 1hgb h VAL 20 Cb 1.05 -0.11 -0.10 0.00 -1.52 0.00 0.00 31.29 30.61 1hgb h VAL 20 CO 0.99 0.13 -0.41 0.44 0.02 0.00 0.00 177.57 178.74 1hgb h ASP 21 N 0.74 -1.37 0.00 0.57 5.19 -1.91 -2.61 116.42 117.03 1hgb h ASP 21 Ca 0.58 0.22 -0.00 0.00 -0.62 0.00 0.00 57.03 57.21 1hgb h ASP 21 Cb 0.94 0.62 0.00 0.00 0.18 0.00 0.00 39.33 41.07 1hgb h ASP 21 CO -0.38 -0.35 -0.00 -0.08 -3.12 0.00 0.00 179.24 175.31 1hgb h GLU 22 N -0.27 -0.01 -0.64 3.56 4.81 -1.85 -3.26 114.58 116.92 1hgb h GLU 22 Ca 0.16 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1hgb h GLU 22 Cb 0.57 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.90 1hgb h GLU 22 CO -0.61 0.79 0.37 0.28 -0.73 0.00 0.00 179.01 179.10 1hgb h VAL 23 N -0.82 1.02 -0.44 0.32 2.07 -1.17 0.20 116.25 117.43 1hgb h VAL 23 Ca -0.00 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1hgb h VAL 23 Cb 0.80 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1hgb h VAL 23 CO 0.00 0.13 0.26 1.23 0.02 0.00 0.00 177.57 179.21 1hgb h GLY 24 N 0.71 0.65 1.73 2.17 0.00 -1.63 0.36 103.07 107.05 1hgb h GLY 24 Ca 0.27 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 1hgb h GLY 24 CO -0.14 0.26 -0.22 -1.33 0.00 0.00 0.00 176.54 175.12 1hgb h GLY 25 N 0.59 0.35 1.38 4.60 0.00 -1.47 -0.56 103.07 107.97 1hgb h GLY 25 Ca 0.16 -0.26 -0.24 0.00 0.00 0.00 0.00 47.33 46.99 1hgb h GLY 25 CO -0.03 0.24 -0.95 -2.09 0.00 0.00 0.00 176.54 173.71 1hgb h GLU 26 N 0.30 0.57 0.15 4.80 4.57 0.06 -2.46 114.58 122.57 1hgb h GLU 26 Ca 0.05 -0.58 -0.01 0.00 -1.18 0.00 0.00 59.36 57.64 1hgb h GLU 26 Cb 0.55 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 1hgb h GLU 26 CO 0.04 1.20 -0.07 0.00 -1.18 0.00 0.00 179.01 178.99 1hgb h ALA 27 N 0.60 -0.21 -0.64 2.92 0.00 -0.09 -1.89 119.26 119.95 1hgb h ALA 27 Ca -0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1hgb h ALA 27 Cb 1.59 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 1hgb h ALA 27 CO 0.18 -0.43 0.19 1.25 0.00 0.00 0.00 179.25 180.44 1hgb h LEU 28 N -0.58 0.91 -0.41 0.00 5.85 -1.22 -1.98 115.31 117.88 1hgb h LEU 28 Ca -0.02 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 1hgb h LEU 28 Cb 0.44 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1hgb h LEU 28 CO 0.03 0.86 0.02 1.23 -0.34 0.00 0.00 178.44 180.25 1hgb h GLY 29 N 1.04 0.77 1.83 3.75 0.00 -1.47 -2.70 103.07 106.29 1hgb h GLY 29 Ca 0.21 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 1hgb h GLY 29 CO -0.01 0.50 -0.26 3.21 0.00 0.00 0.00 176.54 179.99 1hgb h ARG 30 N 0.55 0.20 0.01 4.80 3.08 -1.16 -2.35 114.38 119.50 1hgb h ARG 30 Ca 0.12 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1hgb h ARG 30 Cb 0.45 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1hgb h ARG 30 CO 0.02 0.45 -0.00 1.25 -1.07 0.00 0.00 179.97 180.61 1hgb h LEU 31 N 0.18 -0.01 -1.45 3.04 5.85 -1.18 0.82 115.31 122.57 1hgb h LEU 31 Ca 0.03 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1hgb h LEU 31 Cb 0.56 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1hgb h LEU 31 CO 0.04 0.03 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.83 1hgb h LEU 32 N -0.04 0.02 0.09 2.25 4.07 -1.19 -1.17 115.31 119.34 1hgb h LEU 32 Ca -0.00 -0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.80 1hgb h LEU 32 Cb 0.04 -0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.78 1hgb h LEU 32 CO 0.00 0.28 -0.72 0.58 -1.08 0.00 0.00 178.44 177.50 1hgb h VAL 33 N 0.02 1.47 -0.23 1.22 2.07 -1.20 -3.22 116.25 116.37 1hgb h VAL 33 Ca 0.00 -2.44 -0.18 0.00 0.82 0.00 0.00 66.70 64.90 1hgb h VAL 33 Cb 0.47 3.10 -0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1hgb h VAL 33 CO 0.03 0.65 -0.59 0.58 0.02 0.00 0.00 177.57 178.27 1hgb h VAL 34 N -0.59 1.29 -2.45 2.57 2.07 -0.81 -3.37 116.25 114.97 1hgb h VAL 34 Ca -0.14 -1.81 -0.59 0.00 0.82 0.00 0.00 66.70 64.97 1hgb h VAL 34 Cb 1.46 1.74 -0.40 0.00 -1.52 0.00 0.00 31.29 32.57 1hgb h VAL 34 CO 0.07 0.58 -0.81 -1.22 0.02 0.00 0.00 177.57 176.20 1hgb n TYR 35 N -3.97 1.34 0.26 1.57 4.01 -0.45 -4.98 117.16 114.95 1hgb n TYR 35 Ca -0.04 -3.83 0.14 0.00 -0.16 0.00 0.00 57.90 54.01 1hgb n TYR 35 Cb 0.64 -0.29 0.73 0.00 -0.31 0.00 0.00 39.34 40.11 1hgb n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1hgb h PRO 36 N 4.90 0.00 0.00 -0.72 0.13 -1.72 -0.59 132.00 134.00 1hgb h PRO 36 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1hgb h PRO 36 Cb 0.81 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 1hgb h PRO 36 CO 0.59 0.00 -0.01 0.11 -0.23 0.00 0.00 178.00 178.46 1hgb h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.75 115.95 113.94 1hgb h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1hgb h TRP 37 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.66 1hgb h TRP 37 CO 0.00 0.01 0.00 1.79 0.09 0.00 0.00 178.44 180.33 1hgb h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.42 -2.47 112.91 110.49 1hgb h THR 38 Ca -0.00 -0.46 -0.01 0.00 -0.55 0.00 0.00 66.41 65.39 1hgb h THR 38 Cb 0.44 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1hgb h THR 38 CO 0.00 0.00 -0.04 1.56 -0.25 0.00 0.00 175.52 176.79 1hgb h GLN 39 N 0.00 0.00 -1.00 4.72 4.20 -1.49 -2.91 115.11 118.63 1hgb h GLN 39 Ca 0.00 0.00 0.38 0.00 0.06 0.00 0.00 58.65 59.09 1hgb h GLN 39 Cb 0.47 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.07 1hgb h GLN 39 CO 0.00 0.04 0.47 0.07 -0.67 0.00 0.00 178.83 178.73 1hgb h ARG 40 N 0.00 0.06 0.00 1.46 0.11 -1.64 0.43 114.38 114.80 1hgb h ARG 40 Ca -0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1hgb h ARG 40 Cb 0.20 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.27 1hgb h ARG 40 CO 0.00 0.04 0.00 1.19 0.10 0.00 0.00 179.97 181.31 1hgb n PHE 41 N -5.25 0.00 -2.77 4.08 3.72 -1.10 -4.29 117.46 111.84 1hgb n PHE 41 Ca 0.34 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.57 1hgb n PHE 41 Cb 1.15 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.68 1hgb n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1hgb n PHE 42 N -1.00 1.75 0.24 1.38 3.72 0.15 -4.89 117.46 118.80 1hgb n PHE 42 Ca 0.24 -3.23 0.11 0.00 -0.05 0.00 0.00 57.45 54.52 1hgb n PHE 42 Cb 0.11 -0.34 0.55 0.00 -0.94 0.00 0.00 39.48 38.87 1hgb n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1hgb h GLU 43 N 2.91 0.00 -0.25 -1.08 5.08 -1.75 -2.90 114.58 116.59 1hgb h GLU 43 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1hgb h GLU 43 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1hgb h GLU 43 CO 0.61 0.18 0.00 -1.13 -1.00 0.00 0.00 179.01 177.67 1hgb n SER 44 N -3.41 2.16 -1.07 1.42 3.41 -1.26 -3.68 113.62 111.20 1hgb n SER 44 Ca -0.00 -1.82 0.11 0.00 -0.26 0.00 0.00 58.87 56.90 1hgb n SER 44 Cb 0.37 -0.16 0.26 0.00 -0.26 0.00 0.00 64.21 64.42 1hgb n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1hgb n PHE 45 N 0.65 0.56 0.00 7.33 3.01 -1.09 -5.05 117.46 122.87 1hgb n PHE 45 Ca 0.17 -0.28 0.00 0.00 1.01 0.00 0.00 57.45 58.34 1hgb n PHE 45 Cb 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 1hgb n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1hgb n GLY 46 N 1.45 1.43 3.70 1.37 0.00 -1.24 -4.82 105.19 107.07 1hgb n GLY 46 Ca 0.19 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1hgb n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hgb s ASP 47 N -4.00 7.12 -0.24 1.61 2.15 -1.26 -4.88 116.67 117.16 1hgb s ASP 47 Ca 0.00 1.82 0.15 0.00 0.43 0.00 0.00 52.55 54.95 1hgb s ASP 47 Cb 0.00 -2.56 0.38 0.00 -0.30 0.00 0.00 42.92 40.43 1hgb s ASP 47 CO 0.00 -0.50 1.32 0.18 -0.17 0.00 0.00 175.17 176.00 1hgb n LEU 48 N 4.69 -0.40 0.17 -1.34 4.77 -1.26 -4.26 117.00 119.37 1hgb n LEU 48 Ca 0.10 -2.90 0.10 0.00 -0.03 0.00 0.00 56.01 53.28 1hgb n LEU 48 Cb 0.47 0.17 0.10 0.00 -2.33 0.00 0.00 43.42 41.83 1hgb n LEU 48 CO 0.55 1.41 0.52 0.77 -1.33 0.00 0.00 177.39 179.30 1hgb h SER 49 N 1.29 0.00 -5.14 -1.43 4.64 -1.90 -3.46 113.55 107.55 1hgb h SER 49 Ca -0.37 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.83 1hgb h SER 49 Cb 1.35 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.28 1hgb h SER 49 CO -0.08 0.08 -0.60 -0.89 -0.87 0.00 0.00 176.83 174.47 1hgb s THR 50 N -3.21 0.17 0.27 2.95 2.01 -1.26 -5.02 115.64 111.55 1hgb s THR 50 Ca 0.04 -1.37 -0.01 0.00 0.31 0.00 0.00 61.69 60.67 1hgb s THR 50 Cb 0.07 -1.11 0.29 0.00 0.01 0.00 0.00 72.50 71.76 1hgb s THR 50 CO 0.72 -0.76 1.65 -0.65 -0.69 0.00 0.00 174.62 174.89 1hgb h PRO 51 N 3.49 0.19 -0.30 4.92 0.11 -1.98 0.33 132.00 138.76 1hgb h PRO 51 Ca -0.33 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.62 1hgb h PRO 51 Cb 1.17 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1hgb h PRO 51 CO 0.56 0.13 -0.39 -0.44 -0.21 0.00 0.00 178.00 177.65 1hgb h ASP 52 N 0.20 0.76 -0.51 -2.05 3.32 -1.97 0.37 116.42 116.53 1hgb h ASP 52 Ca 0.50 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1hgb h ASP 52 Cb 0.97 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 1hgb h ASP 52 CO -0.64 1.06 0.20 0.00 -1.72 0.00 0.00 179.24 178.14 1hgb h ALA 53 N 0.98 1.32 0.00 3.45 0.00 -0.89 -1.29 119.26 122.83 1hgb h ALA 53 Ca 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1hgb h ALA 53 Cb 0.92 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1hgb h ALA 53 CO 0.08 0.50 -0.06 0.28 0.00 0.00 0.00 179.25 180.06 1hgb h VAL 54 N 0.80 1.12 -0.39 0.00 2.07 -0.30 -3.00 116.25 116.55 1hgb h VAL 54 Ca 0.19 -1.86 -0.07 0.00 0.82 0.00 0.00 66.70 65.78 1hgb h VAL 54 Cb 0.18 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1hgb h VAL 54 CO -0.01 0.38 -0.04 0.24 0.02 0.00 0.00 177.57 178.15 1hgb h MET 55 N -1.00 0.65 0.00 1.57 2.07 -0.29 -2.84 114.93 115.08 1hgb h MET 55 Ca -0.01 -0.17 0.00 0.00 -2.07 0.00 0.00 59.70 57.45 1hgb h MET 55 Cb 0.66 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.31 1hgb h MET 55 CO -0.01 0.69 -0.44 0.41 1.07 0.00 0.00 176.91 178.63 1hgb n GLY 56 N -0.68 -1.37 3.63 8.32 0.00 -0.49 -4.84 105.19 109.76 1hgb n GLY 56 Ca 0.02 -0.26 -0.49 0.00 0.00 0.00 0.00 46.02 45.28 1hgb n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hgb n ASN 57 N -1.75 3.04 0.22 1.61 2.85 -1.07 -4.83 115.26 115.33 1hgb n ASN 57 Ca 0.05 0.79 0.06 0.00 -0.11 0.00 0.00 54.58 55.36 1hgb n ASN 57 Cb 0.38 -1.34 0.49 0.00 1.24 0.00 0.00 39.78 40.55 1hgb n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1hgb h PRO 58 N 10.27 0.00 -0.19 1.20 0.11 -1.90 0.96 132.00 142.46 1hgb h PRO 58 Ca -0.43 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.49 1hgb h PRO 58 Cb 1.28 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.40 1hgb h PRO 58 CO 0.97 0.23 -0.62 0.87 -0.21 0.00 0.00 178.00 179.24 1hgb h LYS 59 N 0.00 0.76 -0.61 1.05 1.57 -1.89 0.14 116.57 117.58 1hgb h LYS 59 Ca -0.00 -0.56 -0.03 0.00 -1.87 0.00 0.00 60.65 58.19 1hgb h LYS 59 Cb 0.44 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 1hgb h LYS 59 CO 0.03 1.18 0.27 0.28 -0.57 0.00 0.00 179.45 180.64 1hgb h VAL 60 N 0.48 1.22 -0.66 0.50 2.07 -1.77 0.22 116.25 118.31 1hgb h VAL 60 Ca -0.02 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1hgb h VAL 60 Cb 1.25 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1hgb h VAL 60 CO 0.13 0.26 0.42 0.11 0.02 0.00 0.00 177.57 178.52 1hgb h LYS 61 N 0.85 0.88 -0.03 1.57 1.57 -0.53 0.33 116.57 121.22 1hgb h LYS 61 Ca 0.21 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1hgb h LYS 61 Cb 0.16 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1hgb h LYS 61 CO -0.02 0.61 -0.02 0.00 -0.57 0.00 0.00 179.45 179.44 1hgb h ALA 62 N 1.23 0.04 0.30 3.86 0.00 -0.48 -2.88 119.26 121.33 1hgb h ALA 62 Ca 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1hgb h ALA 62 Cb -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1hgb h ALA 62 CO -0.05 -0.20 -0.17 1.25 0.00 0.00 0.00 179.25 180.08 1hgb h HIS 63 N -0.39 -0.44 -0.93 0.00 -0.00 -0.45 -2.65 115.15 110.29 1hgb h HIS 63 Ca 0.00 -0.01 0.27 0.00 -0.00 0.00 0.00 60.37 60.64 1hgb h HIS 63 Cb 0.51 0.15 -0.15 0.00 -0.00 0.00 0.00 27.41 27.92 1hgb h HIS 63 CO 0.09 -0.27 0.30 0.78 -0.00 0.00 0.00 177.93 178.83 1hgb h GLY 64 N -0.45 1.57 1.22 5.26 0.00 -0.40 0.99 103.07 111.26 1hgb h GLY 64 Ca -0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 1hgb h GLY 64 CO 0.05 -0.45 0.14 0.50 0.00 0.00 0.00 176.54 176.77 1hgb h LYS 65 N 0.18 0.97 -0.23 4.80 1.57 -1.25 -2.43 116.57 120.19 1hgb h LYS 65 Ca 0.62 -0.22 -0.19 0.00 -1.87 0.00 0.00 60.65 58.99 1hgb h LYS 65 Cb 1.34 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1hgb h LYS 65 CO -0.69 0.87 -0.61 1.57 -0.57 0.00 0.00 179.45 180.02 1hgb h LYS 66 N 0.93 0.81 0.09 3.15 2.10 -0.62 -2.82 116.57 120.21 1hgb h LYS 66 Ca 0.20 -0.57 0.02 0.00 -2.00 0.00 0.00 60.65 58.30 1hgb h LYS 66 Cb 0.34 0.09 -0.04 0.00 -0.90 0.00 0.00 32.23 31.73 1hgb h LYS 66 CO 0.00 1.20 -0.28 0.28 -2.00 0.00 0.00 179.45 178.64 1hgb h VAL 67 N 0.57 0.38 0.00 0.07 2.07 -1.19 -1.85 116.25 116.29 1hgb h VAL 67 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1hgb h VAL 67 Cb 1.23 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1hgb h VAL 67 CO 0.13 0.00 -0.04 0.25 0.02 0.00 0.00 177.57 177.93 1hgb h LEU 68 N -0.48 0.00 0.27 2.57 7.12 -1.49 0.09 115.31 123.39 1hgb h LEU 68 Ca 0.04 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.04 1hgb h LEU 68 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.66 1hgb h LEU 68 CO -0.19 0.04 -0.13 1.23 -0.13 0.00 0.00 178.44 179.26 1hgb h GLY 69 N 0.35 -0.38 0.89 3.75 0.00 -1.10 0.24 103.07 106.80 1hgb h GLY 69 Ca -0.00 0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.52 1hgb h GLY 69 CO 0.01 -0.14 0.60 0.00 0.00 0.00 0.00 176.54 177.01 1hgb h ALA 70 N -0.30 1.45 -0.47 3.60 0.00 -0.86 -0.67 119.26 122.01 1hgb h ALA 70 Ca -0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1hgb h ALA 70 Cb 0.51 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1hgb h ALA 70 CO 0.06 0.43 0.02 0.35 0.00 0.00 0.00 179.25 180.11 1hgb h PHE 71 N 1.11 0.88 -0.31 0.00 3.04 -0.92 -1.83 116.94 118.91 1hgb h PHE 71 Ca 0.38 -0.15 0.03 0.00 3.98 0.00 0.00 57.97 62.21 1hgb h PHE 71 Cb 0.11 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.36 1hgb h PHE 71 CO -0.00 0.84 0.13 1.03 -2.02 0.00 0.00 178.31 178.30 1hgb h SER 72 N 0.67 0.18 -0.58 0.41 0.87 0.67 -2.22 113.55 113.56 1hgb h SER 72 Ca 0.13 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 1hgb h SER 72 Cb 0.48 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 1hgb h SER 72 CO 0.02 0.14 0.22 -0.78 -0.53 0.00 0.00 176.83 175.91 1hgb h ASP 73 N 0.29 0.81 -0.11 6.23 1.82 -1.03 -2.15 116.42 122.28 1hgb h ASP 73 Ca 0.13 -0.18 0.01 0.00 -0.39 0.00 0.00 57.03 56.61 1hgb h ASP 73 Cb 0.07 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 1hgb h ASP 73 CO -0.11 0.77 0.08 1.23 -1.61 0.00 0.00 179.24 179.60 1hgb h GLY 74 N 0.81 0.10 2.00 -0.78 0.00 -0.90 -0.68 103.07 103.62 1hgb h GLY 74 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1hgb h GLY 74 CO -0.01 0.03 0.00 1.41 0.00 0.00 0.00 176.54 177.97 1hgb h LEU 75 N 0.09 0.00 0.00 3.11 3.38 -0.80 -2.16 115.31 118.94 1hgb h LEU 75 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1hgb h LEU 75 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1hgb h LEU 75 CO -0.01 0.00 -0.43 0.00 0.09 0.00 0.00 178.44 178.10 1hgb n ALA 76 N -1.83 3.23 -2.92 1.53 0.00 -0.27 -4.26 120.51 116.00 1hgb n ALA 76 Ca 0.02 -0.29 -0.17 0.00 0.00 0.00 0.00 53.44 53.00 1hgb n ALA 76 Cb 0.25 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 1hgb n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hgb n HIS 77 N -1.60 1.29 0.27 0.00 8.25 -0.82 -4.93 115.22 117.68 1hgb n HIS 77 Ca 0.05 -3.44 0.12 0.00 -0.26 0.00 0.00 57.72 54.20 1hgb n HIS 77 Cb 0.35 -0.38 0.79 0.00 1.12 0.00 0.00 29.99 31.87 1hgb n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1hgb h LEU 78 N 2.96 0.00 -0.05 2.41 4.07 -1.71 0.01 115.31 122.99 1hgb h LEU 78 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1hgb h LEU 78 Cb 0.98 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.72 1hgb h LEU 78 CO 0.57 0.00 0.00 -0.90 -1.08 0.00 0.00 178.44 177.03 1hgb n ASP 79 N -4.15 0.77 -2.79 -0.43 5.68 -1.26 -0.43 116.55 113.94 1hgb n ASP 79 Ca -0.03 0.58 -0.11 0.00 -0.50 0.00 0.00 54.79 54.74 1hgb n ASP 79 Cb 0.10 -0.78 0.04 0.00 -1.14 0.00 0.00 41.12 39.34 1hgb n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1hgb n ASN 80 N -2.23 0.29 -0.28 -1.12 4.05 -0.04 -4.83 115.26 111.11 1hgb n ASN 80 Ca 0.05 -2.82 -0.01 0.00 0.45 0.00 0.00 54.58 52.25 1hgb n ASN 80 Cb 0.41 -0.02 0.11 0.00 1.23 0.00 0.00 39.78 41.51 1hgb n ASN 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1hgb h LEU 81 N 2.80 0.75 -0.63 1.20 3.38 -1.66 -2.52 115.31 118.63 1hgb h LEU 81 Ca -0.09 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1hgb h LEU 81 Cb 1.15 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 1hgb h LEU 81 CO 0.35 0.49 0.40 0.11 0.09 0.00 0.00 178.44 179.89 1hgb h LYS 82 N 0.89 0.78 -0.30 1.13 1.57 -1.90 -0.67 116.57 118.08 1hgb h LYS 82 Ca 0.33 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 1hgb h LYS 82 Cb 0.11 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1hgb h LYS 82 CO -0.15 0.52 0.01 0.78 -0.57 0.00 0.00 179.45 180.04 1hgb h GLY 83 N 0.81 0.56 -0.13 3.86 0.00 -1.89 -2.05 103.07 104.23 1hgb h GLY 83 Ca 0.24 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.19 1hgb h GLY 83 CO -0.08 0.38 -0.41 -0.84 0.00 0.00 0.00 176.54 175.59 1hgb h THR 84 N 0.32 0.00 -0.06 4.70 2.02 -1.20 -3.03 112.91 115.65 1hgb h THR 84 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1hgb h THR 84 Cb 0.42 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1hgb h THR 84 CO 0.01 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.39 1hgb n PHE 85 N -4.71 0.08 -0.16 3.16 3.72 -0.28 -4.44 117.46 114.83 1hgb n PHE 85 Ca -0.04 -0.04 -0.02 0.00 -0.05 0.00 0.00 57.45 57.30 1hgb n PHE 85 Cb 0.28 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.88 1hgb n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hgb h ALA 86 N 4.09 0.52 -0.31 4.37 0.00 -1.24 0.53 119.26 127.22 1hgb h ALA 86 Ca 0.00 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1hgb h ALA 86 Cb 0.36 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1hgb h ALA 86 CO 0.00 -0.35 -0.29 1.79 0.00 0.00 0.00 179.25 180.40 1hgb h THR 87 N 0.17 1.28 -0.01 0.00 1.35 -1.79 -2.73 112.91 111.19 1hgb h THR 87 Ca 0.25 -1.39 -0.14 0.00 -0.55 0.00 0.00 66.41 64.59 1hgb h THR 87 Cb 0.36 1.35 -0.02 0.00 -1.73 0.00 0.00 68.15 68.11 1hgb h THR 87 CO -0.37 0.45 -0.64 -0.07 -0.25 0.00 0.00 175.52 174.64 1hgb h LEU 88 N 0.55 0.04 -0.06 3.87 3.38 -1.59 -2.55 115.31 118.94 1hgb h LEU 88 Ca 0.07 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1hgb h LEU 88 Cb 0.77 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1hgb h LEU 88 CO 0.06 0.67 0.01 -1.28 0.09 0.00 0.00 178.44 177.99 1hgb h SER 89 N 0.02 0.10 -0.34 -0.43 0.87 0.19 -1.83 113.55 112.13 1hgb h SER 89 Ca -0.01 -0.25 0.02 0.00 -1.23 0.00 0.00 61.79 60.32 1hgb h SER 89 Cb 1.14 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 1hgb h SER 89 CO 0.09 0.33 0.18 -0.33 -0.53 0.00 0.00 176.83 176.57 1hgb h GLU 90 N -0.13 0.36 -0.05 2.24 5.08 -1.48 -1.91 114.58 118.69 1hgb h GLU 90 Ca 0.02 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1hgb h GLU 90 Cb 0.27 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1hgb h GLU 90 CO 0.00 0.24 -0.20 1.25 -1.00 0.00 0.00 179.01 179.30 1hgb h LEU 91 N 0.37 -0.60 -1.29 1.33 5.85 -1.41 0.36 115.31 119.92 1hgb h LEU 91 Ca 0.14 0.09 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1hgb h LEU 91 Cb 0.03 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1hgb h LEU 91 CO -0.08 -0.26 0.51 0.45 -0.34 0.00 0.00 178.44 178.72 1hgb h HIS 92 N -0.30 0.88 0.05 1.25 3.86 -1.14 0.39 115.15 120.14 1hgb h HIS 92 Ca 0.07 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1hgb h HIS 92 Cb 0.40 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1hgb h HIS 92 CO -0.27 0.48 -0.02 0.00 0.86 0.00 0.00 177.93 178.98 1hgb h ASP 94 N -0.35 0.00 0.00 0.00 3.32 -0.32 -2.99 116.42 116.08 1hgb h ASP 94 Ca -0.01 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 1hgb h ASP 94 Cb 0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1hgb h ASP 94 CO 0.01 0.20 -1.32 1.17 -1.72 0.00 0.00 179.24 177.58 1hgb n LYS 95 N -3.44 0.13 0.13 3.56 0.00 0.11 -4.78 118.16 113.87 1hgb n LYS 95 Ca -0.00 0.04 0.09 0.00 0.00 0.00 0.00 58.31 58.44 1hgb n LYS 95 Cb 0.39 -0.96 0.04 0.00 0.00 0.00 0.00 35.03 34.49 1hgb n LYS 95 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1hgb h LEU 96 N -0.08 0.00 -1.57 3.14 3.38 -0.68 -3.49 115.31 116.02 1hgb h LEU 96 Ca -0.13 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.40 1hgb h LEU 96 Cb 1.17 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.94 1hgb h LEU 96 CO -0.05 0.13 -0.81 1.41 0.09 0.00 0.00 178.44 179.21 1hgb n HIS 97 N -2.87 -2.00 -3.53 1.13 8.25 0.91 -4.96 115.22 112.16 1hgb n HIS 97 Ca -0.00 0.85 -0.38 0.00 -0.26 0.00 0.00 57.72 57.93 1hgb n HIS 97 Cb 0.60 -4.23 -0.10 0.00 1.12 0.00 0.00 29.99 27.39 1hgb n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1hgb s VAL 98 N -3.59 5.27 0.13 1.59 1.01 -0.53 -5.02 120.40 119.26 1hgb s VAL 98 Ca 0.19 0.35 -0.31 0.00 0.00 0.00 0.00 61.98 62.21 1hgb s VAL 98 Cb -0.09 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 1hgb s VAL 98 CO 0.82 0.25 1.52 -0.62 0.00 0.00 0.00 175.10 177.07 1hgb s ASP 99 N 1.43 6.67 0.64 3.32 2.15 -1.26 -4.69 116.67 124.94 1hgb s ASP 99 Ca 0.11 2.48 0.34 0.00 0.43 0.00 0.00 52.55 55.91 1hgb s ASP 99 Cb -0.15 -2.58 1.87 0.00 -0.30 0.00 0.00 42.92 41.75 1hgb s ASP 99 CO 0.08 -0.78 2.05 -0.65 -0.17 0.00 0.00 175.17 175.71 1hgb h PRO 100 N 7.09 0.00 -0.02 4.34 0.11 -1.96 -0.78 132.00 140.78 1hgb h PRO 100 Ca -0.42 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.69 1hgb h PRO 100 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1hgb h PRO 100 CO 0.90 0.00 0.02 1.49 -0.21 0.00 0.00 178.00 180.20 1hgb h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -1.96 -0.80 114.58 117.44 1hgb h GLU 101 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1hgb h GLU 101 Cb 0.41 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1hgb h GLU 101 CO 0.00 0.00 -0.22 -0.91 -1.18 0.00 0.00 179.01 176.70 1hgb h ASN 102 N 0.00 0.00 -0.31 1.04 4.21 -1.51 -2.01 115.58 117.00 1hgb h ASN 102 Ca 0.01 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.42 1hgb h ASN 102 Cb 0.05 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.23 1hgb h ASN 102 CO -0.00 0.22 -0.15 -0.26 -1.29 0.00 0.00 177.43 175.95 1hgb h PHE 103 N 0.00 0.84 -0.04 1.19 0.04 -1.34 -1.28 116.94 116.35 1hgb h PHE 103 Ca -0.00 -0.16 -0.24 0.00 2.80 0.00 0.00 57.97 60.36 1hgb h PHE 103 Cb 0.41 -0.21 0.02 0.00 2.20 0.00 0.00 35.95 38.36 1hgb h PHE 103 CO 0.00 0.85 -0.93 0.00 -0.60 0.00 0.00 178.31 177.64 1hgb h ARG 104 N 0.68 0.70 -0.20 1.51 3.08 -1.45 -2.35 114.38 116.35 1hgb h ARG 104 Ca 0.11 -0.70 0.01 0.00 0.07 0.00 0.00 59.98 59.47 1hgb h ARG 104 Cb 0.63 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1hgb h ARG 104 CO 0.04 1.29 0.10 -0.07 -1.07 0.00 0.00 179.97 180.26 1hgb h LEU 105 N 0.38 0.15 -1.43 3.04 3.38 -1.25 -2.67 115.31 116.91 1hgb h LEU 105 Ca -0.10 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1hgb h LEU 105 Cb 1.58 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 1hgb h LEU 105 CO 0.18 0.12 0.16 0.25 0.09 0.00 0.00 178.44 179.24 1hgb h LEU 106 N 0.22 0.49 -0.56 1.67 5.85 -1.21 -2.13 115.31 119.63 1hgb h LEU 106 Ca 0.08 -0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.60 1hgb h LEU 106 Cb 0.02 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1hgb h LEU 106 CO -0.05 0.45 -0.48 1.23 -0.34 0.00 0.00 178.44 179.24 1hgb h GLY 107 N 0.70 0.66 0.86 3.75 0.00 -1.21 -1.33 103.07 106.50 1hgb h GLY 107 Ca 0.14 -0.71 -0.10 0.00 0.00 0.00 0.00 47.33 46.66 1hgb h GLY 107 CO -0.01 0.64 -0.25 3.43 0.00 0.00 0.00 176.54 180.34 1hgb h ASN 108 N 0.48 0.58 -0.90 0.19 2.35 -1.20 -1.71 115.58 115.37 1hgb h ASN 108 Ca 0.02 -0.50 -0.01 0.00 -0.55 0.00 0.00 56.30 55.27 1hgb h ASN 108 Cb 1.02 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 39.18 1hgb h ASN 108 CO 0.09 0.96 0.54 0.58 -1.65 0.00 0.00 177.43 177.95 1hgb h VAL 109 N 0.22 1.25 -0.65 2.81 2.07 -1.35 -1.25 116.25 119.35 1hgb h VAL 109 Ca 0.03 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 1hgb h VAL 109 Cb 0.82 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1hgb h VAL 109 CO 0.06 0.27 0.29 0.25 0.02 0.00 0.00 177.57 178.45 1hgb h LEU 110 N 1.25 0.84 -0.50 2.57 5.85 -1.13 0.11 115.31 124.31 1hgb h LEU 110 Ca 0.32 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.82 1hgb h LEU 110 Cb -0.04 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1hgb h LEU 110 CO -0.06 0.73 -0.17 0.58 -0.34 0.00 0.00 178.44 179.19 1hgb h VAL 111 N 0.92 1.27 -0.53 1.05 2.07 -0.70 0.23 116.25 120.57 1hgb h VAL 111 Ca 0.22 -1.33 -0.09 0.00 0.82 0.00 0.00 66.70 66.32 1hgb h VAL 111 Cb 0.13 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1hgb h VAL 111 CO -0.03 0.46 -0.05 0.00 0.02 0.00 0.00 177.57 177.98 1hgb h VAL 113 N 0.85 0.00 -0.71 0.00 2.07 -0.52 0.26 116.25 118.19 1hgb h VAL 113 Ca 0.15 -0.17 0.16 0.00 0.82 0.00 0.00 66.70 67.66 1hgb h VAL 113 Cb 0.57 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.22 1hgb h VAL 113 CO 0.03 0.00 0.08 -0.07 0.02 0.00 0.00 177.57 177.63 1hgb h LEU 114 N -1.21 -0.18 -0.38 2.57 3.38 -0.94 0.22 115.31 118.77 1hgb h LEU 114 Ca -0.11 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1hgb h LEU 114 Cb 0.80 0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1hgb h LEU 114 CO 0.17 -0.11 0.19 0.00 0.09 0.00 0.00 178.44 178.79 1hgb h ALA 115 N 1.63 0.47 -0.87 1.53 0.00 -1.15 0.36 119.26 121.24 1hgb h ALA 115 Ca 0.39 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.44 1hgb h ALA 115 Cb 0.68 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1hgb h ALA 115 CO -0.57 -0.17 0.56 1.25 0.00 0.00 0.00 179.25 180.32 1hgb h HIS 116 N 0.39 0.82 0.08 0.00 -0.00 0.15 -0.21 115.15 116.39 1hgb h HIS 116 Ca 0.16 0.02 -0.26 0.00 -0.00 0.00 0.00 60.37 60.30 1hgb h HIS 116 Cb 0.07 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.20 1hgb h HIS 116 CO -0.10 0.33 -1.35 1.25 -0.00 0.00 0.00 177.93 178.07 1hgb h HIS 117 N 0.72 0.31 0.00 5.26 6.17 -0.56 -3.39 115.15 123.66 1hgb h HIS 117 Ca 0.42 -0.22 0.00 0.00 0.71 0.00 0.00 60.37 61.28 1hgb h HIS 117 Cb 0.61 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.53 1hgb h HIS 117 CO -0.00 1.53 -0.64 1.19 0.71 0.00 0.00 177.93 180.71 1hgb n PHE 118 N -4.04 0.13 -0.29 5.26 3.72 0.12 -5.01 117.46 117.36 1hgb n PHE 118 Ca -0.27 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 1hgb n PHE 118 Cb 0.84 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 1hgb n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hgb n GLY 119 N 1.45 3.33 0.40 1.37 0.00 -0.10 -2.06 105.19 109.58 1hgb n GLY 119 Ca 0.04 -0.09 0.21 0.00 0.00 0.00 0.00 46.02 46.19 1hgb n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1hgb h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.95 -0.54 116.57 119.33 1hgb h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1hgb h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1hgb h LYS 120 CO 0.00 0.00 0.00 1.49 -2.27 0.00 0.00 179.45 178.67 1hgb h GLU 121 N 0.00 0.00 -3.21 1.90 4.81 -1.81 -3.32 114.58 112.96 1hgb h GLU 121 Ca 0.25 0.00 -0.79 0.00 -0.13 0.00 0.00 59.36 58.69 1hgb h GLU 121 Cb 1.12 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.26 1hgb h GLU 121 CO -0.00 0.00 1.11 0.34 -0.73 0.00 0.00 179.01 179.73 1hgb n PHE 122 N -2.88 2.82 -1.61 0.92 7.35 -0.21 -4.96 117.46 118.89 1hgb n PHE 122 Ca 0.00 -2.79 -0.30 0.00 -0.76 0.00 0.00 57.45 53.60 1hgb n PHE 122 Cb 0.25 -1.52 0.06 0.00 0.35 0.00 0.00 39.48 38.62 1hgb n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1hgb s THR 123 N -1.63 3.61 0.24 -2.13 -4.23 -1.25 -4.73 115.64 105.51 1hgb s THR 123 Ca 0.34 0.52 -0.10 0.00 -1.18 0.00 0.00 61.69 61.27 1hgb s THR 123 Cb 0.04 -3.30 0.33 0.00 1.34 0.00 0.00 72.50 70.92 1hgb s THR 123 CO 0.06 -0.68 1.60 -0.65 -0.54 0.00 0.00 174.62 174.41 1hgb h PRO 124 N -0.85 0.01 -0.27 3.99 0.11 -1.95 0.28 132.00 133.32 1hgb h PRO 124 Ca -0.45 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 1hgb h PRO 124 Cb 1.24 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1hgb h PRO 124 CO 0.59 0.01 -0.23 -1.35 -0.21 0.00 0.00 178.00 176.80 1hgb h PRO 125 N 0.01 0.52 -0.29 1.05 0.11 -1.99 -0.49 132.00 130.92 1hgb h PRO 125 Ca 0.40 -0.19 -0.12 0.00 0.11 0.00 0.00 66.00 66.20 1hgb h PRO 125 Cb 0.62 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 1hgb h PRO 125 CO -0.81 0.71 -0.27 0.28 -0.21 0.00 0.00 178.00 177.71 1hgb h VAL 126 N 0.46 1.30 -0.13 3.15 2.07 -0.95 -2.89 116.25 119.26 1hgb h VAL 126 Ca 0.07 -1.43 0.01 0.00 0.82 0.00 0.00 66.70 66.17 1hgb h VAL 126 Cb 0.65 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1hgb h VAL 126 CO 0.05 0.46 0.07 -0.61 0.02 0.00 0.00 177.57 177.56 1hgb h GLN 127 N 0.45 0.15 -0.91 1.57 4.15 -0.57 -1.56 115.11 118.39 1hgb h GLN 127 Ca 0.05 -0.01 0.17 0.00 0.77 0.00 0.00 58.65 59.63 1hgb h GLN 127 Cb 0.83 -0.03 -0.10 0.00 0.21 0.00 0.00 27.48 28.39 1hgb h GLN 127 CO 0.07 0.10 0.49 0.00 -1.93 0.00 0.00 178.83 177.55 1hgb h ALA 128 N 1.06 1.43 -0.30 3.38 0.00 -1.05 0.40 119.26 124.18 1hgb h ALA 128 Ca 0.05 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1hgb h ALA 128 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1hgb h ALA 128 CO -0.03 -0.11 -0.14 0.00 0.00 0.00 0.00 179.25 178.97 1hgb h ALA 129 N 1.61 0.42 -0.77 0.00 0.00 -1.27 -3.01 119.26 116.24 1hgb h ALA 129 Ca 0.52 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1hgb h ALA 129 Cb 0.80 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1hgb h ALA 129 CO -0.39 0.31 0.29 1.88 0.00 0.00 0.00 179.25 181.33 1hgb h TYR 130 N 0.38 1.20 -0.37 0.00 0.05 0.07 -2.13 116.97 116.17 1hgb h TYR 130 Ca 0.07 -0.10 0.03 0.00 0.05 0.00 0.00 58.73 58.77 1hgb h TYR 130 Cb 0.65 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 38.01 1hgb h TYR 130 CO 0.06 0.92 0.19 1.96 -1.05 0.00 0.00 178.16 180.24 1hgb h GLN 131 N 1.13 0.38 -0.40 4.88 1.08 -0.28 -0.88 115.11 121.01 1hgb h GLN 131 Ca 0.25 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.46 1hgb h GLN 131 Cb 0.25 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.56 1hgb h GLN 131 CO -0.02 0.25 0.19 0.87 -0.95 0.00 0.00 178.83 179.17 1hgb h LYS 132 N 0.39 0.38 -0.03 1.46 1.57 -1.33 -0.65 116.57 118.35 1hgb h LYS 132 Ca 0.15 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1hgb h LYS 132 Cb 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1hgb h LYS 132 CO -0.10 0.25 -0.04 0.28 -0.57 0.00 0.00 179.45 179.27 1hgb h VAL 133 N 0.39 0.90 -0.56 0.50 2.07 -0.99 -0.42 116.25 118.13 1hgb h VAL 133 Ca 0.17 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 1hgb h VAL 133 Cb 0.09 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1hgb h VAL 133 CO -0.13 0.00 0.32 -0.37 0.02 0.00 0.00 177.57 177.41 1hgb h VAL 134 N -0.05 1.17 -0.27 2.57 -1.51 -0.78 0.98 116.25 118.36 1hgb h VAL 134 Ca 0.03 -0.40 -0.11 0.00 -1.23 0.00 0.00 66.70 64.99 1hgb h VAL 134 Cb 0.09 0.39 -0.00 0.00 -2.13 0.00 0.00 31.29 29.64 1hgb h VAL 134 CO -0.06 0.18 -0.25 0.00 -1.23 0.00 0.00 177.57 176.21 1hgb h ALA 135 N 1.58 0.39 -0.85 5.19 0.00 -0.90 -0.75 119.26 123.92 1hgb h ALA 135 Ca 0.20 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1hgb h ALA 135 Cb -0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 1hgb h ALA 135 CO -0.04 0.38 0.51 0.78 0.00 0.00 0.00 179.25 180.88 1hgb h GLY 136 N 0.37 1.30 0.59 0.00 0.00 0.08 -0.93 103.07 104.46 1hgb h GLY 136 Ca 0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1hgb h GLY 136 CO 0.06 0.20 -0.01 -2.08 0.00 0.00 0.00 176.54 174.71 1hgb h VAL 137 N 0.89 1.27 -0.08 4.60 2.07 -0.71 0.37 116.25 124.67 1hgb h VAL 137 Ca 0.39 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1hgb h VAL 137 Cb 0.26 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1hgb h VAL 137 CO -0.21 0.24 -0.09 0.00 0.02 0.00 0.00 177.57 177.54 1hgb h ALA 138 N 0.50 1.71 0.00 1.67 0.00 -0.92 0.17 119.26 122.39 1hgb h ALA 138 Ca -0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.53 1hgb h ALA 138 Cb 0.42 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.18 1hgb h ALA 138 CO 0.01 0.22 -0.95 -0.91 0.00 0.00 0.00 179.25 177.61 1hgb h ASN 139 N 0.11 0.83 -0.94 0.00 2.35 -1.12 -1.42 115.58 115.40 1hgb h ASN 139 Ca 0.03 -0.75 -0.01 0.00 -0.55 0.00 0.00 56.30 55.02 1hgb h ASN 139 Cb 0.24 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.31 1hgb h ASN 139 CO 0.01 1.47 0.55 0.00 -1.65 0.00 0.00 177.43 177.82 1hgb h ALA 140 N 0.38 1.20 -0.04 -0.83 0.00 -0.55 -1.40 119.26 118.02 1hgb h ALA 140 Ca -0.12 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1hgb h ALA 140 Cb 1.62 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1hgb h ALA 140 CO 0.19 0.67 -0.66 -0.07 0.00 0.00 0.00 179.25 179.38 1hgb h LEU 141 N 1.30 0.21 -0.37 0.00 3.38 -0.97 -3.09 115.31 115.78 1hgb h LEU 141 Ca 0.34 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1hgb h LEU 141 Cb -0.04 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1hgb h LEU 141 CO -0.06 0.81 -0.18 0.00 0.09 0.00 0.00 178.44 179.10 1hgb n ALA 142 N -2.46 2.91 -0.31 1.53 0.00 -0.54 -4.27 120.51 117.37 1hgb n ALA 142 Ca -0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 53.44 53.04 1hgb n ALA 142 Cb 0.65 -1.24 0.09 0.00 0.00 0.00 0.00 19.45 18.96 1hgb n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hgb h HIS 143 N 0.90 1.22 -0.43 0.00 6.17 -1.17 -2.99 115.15 118.85 1hgb h HIS 143 Ca 0.00 -0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.03 1hgb h HIS 143 Cb 0.43 -0.38 0.00 0.00 2.52 0.00 0.00 27.41 29.98 1hgb h HIS 143 CO 0.00 0.87 0.00 1.63 0.71 0.00 0.00 177.93 181.14 1hgb n LYS 144 N -4.31 2.01 -2.39 5.26 4.76 -1.26 -4.93 118.16 117.30 1hgb n LYS 144 Ca 0.09 -1.55 -0.38 0.00 -2.87 0.00 0.00 58.31 53.60 1hgb n LYS 144 Cb 0.13 -1.34 -0.03 0.00 -1.84 0.00 0.00 35.03 31.95 1hgb n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1hgb s TYR 145 N -1.43 3.23 0.00 2.13 1.51 -1.13 -4.76 117.35 116.90 1hgb s TYR 145 Ca 0.29 1.60 0.00 0.00 -1.01 0.00 0.00 57.07 57.95 1hgb s TYR 145 Cb 0.15 -3.31 0.00 0.00 -0.11 0.00 0.00 41.96 38.69 1hgb s TYR 145 CO 0.19 -0.99 0.00 -2.39 -1.11 0.00 0.00 175.55 171.25