#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 2.94 0.01 6.34 3.76 -1.26 -4.90 115.29 122.17 1hgb s HIS 2 Ca 0.00 -0.99 -0.01 0.00 -0.15 0.00 0.00 55.06 53.90 1hgb s HIS 2 Cb 0.00 -4.22 -0.04 0.00 1.11 0.00 0.00 32.58 29.43 1hgb s HIS 2 CO 0.00 -1.50 0.14 -0.51 -0.85 0.00 0.00 174.74 172.02 1hgb s LEU 3 N 3.16 4.16 0.77 0.89 1.02 -1.26 -5.08 118.68 122.33 1hgb s LEU 3 Ca 0.24 0.24 -0.11 0.00 0.02 0.00 0.00 54.13 54.52 1hgb s LEU 3 Cb -0.13 -2.51 0.05 0.00 0.02 0.00 0.00 46.19 43.61 1hgb s LEU 3 CO 0.01 0.25 1.09 -0.89 0.02 0.00 0.00 176.35 176.84 1hgb s THR 4 N -1.30 3.26 -0.15 5.49 2.01 -1.26 -4.83 115.64 118.86 1hgb s THR 4 Ca 0.27 0.41 0.17 0.00 0.31 0.00 0.00 61.69 62.85 1hgb s THR 4 Cb -0.12 -3.22 0.12 0.00 0.01 0.00 0.00 72.50 69.28 1hgb s THR 4 CO 0.18 -0.53 1.52 1.55 -0.69 0.00 0.00 174.62 176.64 1hgb h PRO 5 N -0.94 0.00 0.00 4.92 0.13 -1.98 0.19 132.00 134.31 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 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1hgb h PRO 5 CO 0.60 0.41 -0.20 1.49 -0.23 0.00 0.00 178.00 180.08 1hgb h GLU 6 N 0.00 0.00 -0.09 0.86 4.57 -1.97 0.24 114.58 118.20 1hgb h GLU 6 Ca -0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 1hgb h GLU 6 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1hgb h GLU 6 CO 0.05 0.00 -0.24 0.93 -1.18 0.00 0.00 179.01 178.58 1hgb h GLU 7 N 0.00 0.31 -0.23 1.92 5.08 -1.45 0.35 114.58 120.56 1hgb h GLU 7 Ca 0.00 -0.22 -0.18 0.00 -1.00 0.00 0.00 59.36 57.96 1hgb h GLU 7 Cb 0.84 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 1hgb h GLU 7 CO 0.00 0.84 -0.57 1.57 -1.00 0.00 0.00 179.01 179.84 1hgb h LYS 8 N -0.16 0.72 -0.12 2.33 -0.00 -0.64 -0.73 116.57 117.97 1hgb h LYS 8 Ca -0.01 -0.47 0.04 0.00 -0.00 0.00 0.00 60.65 60.22 1hgb h LYS 8 Cb 0.85 0.06 -0.06 0.00 -0.00 0.00 0.00 32.23 33.08 1hgb h LYS 8 CO 0.05 1.09 -0.39 1.03 -0.00 0.00 0.00 179.45 181.24 1hgb h SER 9 N 0.55 -1.21 0.14 7.07 0.87 -0.41 0.11 113.55 120.67 1hgb h SER 9 Ca 0.01 0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.59 1hgb h SER 9 Cb 1.16 0.50 -0.01 0.00 -0.44 0.00 0.00 62.40 63.60 1hgb h SER 9 CO 0.12 -0.41 -0.49 0.00 -0.53 0.00 0.00 176.83 175.52 1hgb h ALA 10 N 0.20 0.87 0.78 6.23 0.00 -0.23 0.46 119.26 127.57 1hgb h ALA 10 Ca 0.08 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1hgb h ALA 10 Cb 0.60 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1hgb h ALA 10 CO -0.38 0.66 -0.37 0.28 0.00 0.00 0.00 179.25 179.44 1hgb h VAL 11 N 0.32 0.00 -0.84 0.00 2.07 -0.41 -1.96 116.25 115.44 1hgb h VAL 11 Ca 0.02 -0.01 0.13 0.00 0.82 0.00 0.00 66.70 67.66 1hgb h VAL 11 Cb 0.98 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.66 1hgb h VAL 11 CO 0.09 0.00 0.45 0.00 0.02 0.00 0.00 177.57 178.12 1hgb h THR 12 N -1.05 0.78 0.00 2.57 1.03 -0.84 -1.49 112.91 113.91 1hgb h THR 12 Ca -0.11 -0.23 -0.04 0.00 -0.01 0.00 0.00 66.41 66.02 1hgb h THR 12 Cb 0.80 0.05 -0.01 0.00 -1.07 0.00 0.00 68.15 67.93 1hgb h THR 12 CO 0.18 0.12 -0.19 0.00 -0.01 0.00 0.00 175.52 175.62 1hgb h ALA 13 N 1.53 1.14 0.03 0.00 0.00 -0.81 -2.74 119.26 118.40 1hgb h ALA 13 Ca 0.44 -0.17 -0.34 0.00 0.00 0.00 0.00 54.91 54.84 1hgb h ALA 13 Cb 0.57 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1hgb h ALA 13 CO -0.33 0.24 -2.00 -0.11 0.00 0.00 0.00 179.25 177.04 1hgb n LEU 14 N -3.52 1.26 0.03 0.00 7.94 -0.65 -4.13 117.00 117.93 1hgb n LEU 14 Ca -0.01 0.22 0.00 0.00 -1.11 0.00 0.00 56.01 55.12 1hgb n LEU 14 Cb 0.35 -0.13 0.32 0.00 0.53 0.00 0.00 43.42 44.48 1hgb n LEU 14 CO 0.32 0.57 0.92 -0.25 -1.11 0.00 0.00 177.39 177.84 1hgb h TRP 15 N 0.02 0.48 -1.01 1.96 -0.00 -1.33 -2.59 115.95 113.47 1hgb h TRP 15 Ca -0.41 -0.05 0.25 0.00 -0.00 0.00 0.00 58.89 58.69 1hgb h TRP 15 Cb 2.06 -0.14 -0.08 0.00 -0.00 0.00 0.00 29.16 31.00 1hgb h TRP 15 CO 0.02 0.50 0.66 0.78 -0.00 0.00 0.00 178.44 180.40 1hgb h GLY 16 N 0.81 1.00 0.47 2.65 0.00 -1.64 0.51 103.07 106.87 1hgb h GLY 16 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1hgb h GLY 16 CO 0.01 -0.08 -0.23 0.28 0.00 0.00 0.00 176.54 176.52 1hgb n LYS 17 N -4.55 0.73 -2.91 4.80 5.02 -0.98 -4.95 118.16 115.32 1hgb n LYS 17 Ca 0.23 -0.39 -0.41 0.00 -2.02 0.00 0.00 58.31 55.72 1hgb n LYS 17 Cb 0.85 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 34.32 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 -2.54 4.97 -0.57 -0.18 -7.23 0.18 -4.99 120.40 110.04 1hgb s VAL 18 Ca 0.24 1.68 -0.23 0.00 -1.81 0.00 0.00 61.98 61.87 1hgb s VAL 18 Cb 0.19 -4.15 0.05 0.00 0.56 0.00 0.00 36.38 33.03 1hgb s VAL 18 CO 0.52 0.20 0.91 0.21 -0.31 0.00 0.00 175.10 176.64 1hgb s ASN 19 N 0.90 6.29 0.39 4.85 3.84 -1.26 -4.89 114.94 125.05 1hgb s ASN 19 Ca 0.43 -0.56 0.17 0.00 0.21 0.00 0.00 52.86 53.11 1hgb s ASN 19 Cb -0.19 -2.42 0.79 0.00 -0.55 0.00 0.00 41.25 38.89 1hgb s ASN 19 CO 0.21 -1.24 1.82 0.58 -2.79 0.00 0.00 177.10 175.68 1hgb h VAL 20 N 5.99 1.06 -0.24 -5.21 2.07 -1.95 -2.62 116.25 115.36 1hgb h VAL 20 Ca -0.27 -1.31 0.03 0.00 0.82 0.00 0.00 66.70 65.98 1hgb h VAL 20 Cb 1.07 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.56 1hgb h VAL 20 CO 1.10 0.35 0.03 0.44 0.02 0.00 0.00 177.57 179.51 1hgb h ASP 21 N 0.00 -0.02 0.04 0.57 5.19 -1.92 -1.03 116.42 119.25 1hgb h ASP 21 Ca -0.00 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1hgb h ASP 21 Cb 0.72 0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1hgb h ASP 21 CO 0.05 0.02 -1.84 -1.84 -3.12 0.00 0.00 179.24 172.51 1hgb n GLU 22 N -5.10 0.58 0.08 3.56 0.28 -1.24 -3.02 120.64 115.78 1hgb n GLU 22 Ca -0.02 -0.16 -0.19 0.00 -0.16 0.00 0.00 57.16 56.63 1hgb n GLU 22 Cb 0.11 -1.53 -0.11 0.00 1.43 0.00 0.00 31.44 31.34 1hgb n GLU 22 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1hgb h VAL 23 N 0.00 1.34 0.01 3.84 2.07 -1.51 -0.08 116.25 121.92 1hgb h VAL 23 Ca 0.00 -2.51 -0.00 0.00 0.82 0.00 0.00 66.70 65.01 1hgb h VAL 23 Cb 0.94 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1hgb h VAL 23 CO 0.00 0.76 -0.01 1.23 0.02 0.00 0.00 177.57 179.57 1hgb h GLY 24 N 0.74 -0.02 1.01 2.17 0.00 -1.35 -1.87 103.07 103.74 1hgb h GLY 24 Ca -0.15 0.01 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 1hgb h GLY 24 CO 0.21 -0.01 -0.24 -1.33 0.00 0.00 0.00 176.54 175.18 1hgb h GLY 25 N -0.30 0.86 1.94 4.60 0.00 -1.57 -2.65 103.07 105.94 1hgb h GLY 25 Ca -0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 47.33 46.46 1hgb h GLY 25 CO 0.00 0.74 -0.25 -2.09 0.00 0.00 0.00 176.54 174.94 1hgb h GLU 26 N 0.57 0.07 0.00 4.80 4.57 -1.02 -0.57 114.58 123.00 1hgb h GLU 26 Ca 0.07 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1hgb h GLU 26 Cb 0.80 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1hgb h GLU 26 CO 0.06 0.32 -0.04 0.00 -1.18 0.00 0.00 179.01 178.18 1hgb h ALA 27 N 1.68 0.01 -0.76 2.92 0.00 -1.31 -2.23 119.26 119.57 1hgb h ALA 27 Ca 0.01 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1hgb h ALA 27 Cb 0.49 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1hgb h ALA 27 CO 0.03 0.02 0.30 1.25 0.00 0.00 0.00 179.25 180.86 1hgb h LEU 28 N -1.00 1.06 0.66 0.00 5.85 -1.52 -1.65 115.31 118.71 1hgb h LEU 28 Ca -0.01 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1hgb h LEU 28 Cb 0.90 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1hgb h LEU 28 CO -0.01 0.95 -0.39 1.23 -0.34 0.00 0.00 178.44 179.88 1hgb h GLY 29 N 1.11 -1.06 1.29 3.75 0.00 -1.20 -2.35 103.07 104.61 1hgb h GLY 29 Ca 0.25 0.43 0.09 0.00 0.00 0.00 0.00 47.33 48.11 1hgb h GLY 29 CO -0.02 -0.38 0.27 3.21 0.00 0.00 0.00 176.54 179.62 1hgb h ARG 30 N -0.98 0.09 -0.45 4.80 3.08 -1.27 -1.37 114.38 118.28 1hgb h ARG 30 Ca -0.08 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1hgb h ARG 30 Cb 0.79 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 1hgb h ARG 30 CO 0.10 0.06 0.24 1.25 -1.07 0.00 0.00 179.97 180.55 1hgb h LEU 31 N 0.09 0.57 -1.19 3.04 5.85 -0.85 0.33 115.31 123.15 1hgb h LEU 31 Ca 0.18 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 1hgb h LEU 31 Cb 0.60 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1hgb h LEU 31 CO -0.02 0.50 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.16 1hgb h LEU 32 N 0.59 0.09 0.09 2.25 4.07 -0.75 -1.59 115.31 120.06 1hgb h LEU 32 Ca 0.16 -0.03 -0.17 0.00 0.08 0.00 0.00 57.88 57.91 1hgb h LEU 32 Cb 0.07 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.79 1hgb h LEU 32 CO -0.02 0.44 -0.83 0.58 -1.08 0.00 0.00 178.44 177.52 1hgb h VAL 33 N 0.08 1.39 0.02 1.22 2.07 -1.40 -3.24 116.25 116.39 1hgb h VAL 33 Ca 0.01 -2.42 -0.21 0.00 0.82 0.00 0.00 66.70 64.89 1hgb h VAL 33 Cb 0.67 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.45 1hgb h VAL 33 CO 0.05 0.65 -0.95 0.58 0.02 0.00 0.00 177.57 177.92 1hgb h VAL 34 N -0.56 1.49 -2.36 2.57 2.07 -0.91 -3.37 116.25 115.19 1hgb h VAL 34 Ca -0.17 -2.70 -0.59 0.00 0.82 0.00 0.00 66.70 64.06 1hgb h VAL 34 Cb 1.50 2.55 -0.41 0.00 -1.52 0.00 0.00 31.29 33.41 1hgb h VAL 34 CO 0.06 0.79 -0.77 -1.22 0.02 0.00 0.00 177.57 176.45 1hgb n TYR 35 N -3.64 1.96 -0.38 1.57 4.01 -0.60 -4.98 117.16 115.10 1hgb n TYR 35 Ca -0.05 -3.93 0.32 0.00 -0.16 0.00 0.00 57.90 54.09 1hgb n TYR 35 Cb 0.85 -0.41 0.59 0.00 -0.31 0.00 0.00 39.34 40.06 1hgb n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1hgb h PRO 36 N 4.58 0.11 -0.07 -0.72 0.11 -1.73 0.16 132.00 134.44 1hgb h PRO 36 Ca 0.17 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.29 1hgb h PRO 36 Cb 0.77 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 1hgb h PRO 36 CO 0.66 0.07 0.06 0.11 -0.21 0.00 0.00 178.00 178.69 1hgb h TRP 37 N 0.11 0.00 0.00 0.65 0.09 -1.91 -1.58 115.95 113.31 1hgb h TRP 37 Ca 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 59.78 1hgb h TRP 37 Cb 2.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 31.50 1hgb h TRP 37 CO -0.01 0.00 -0.06 1.79 0.09 0.00 0.00 178.44 180.25 1hgb h THR 38 N 0.00 0.72 -0.69 0.12 1.35 -0.99 -2.30 112.91 111.13 1hgb h THR 38 Ca 0.03 -0.25 0.18 0.00 -0.55 0.00 0.00 66.41 65.83 1hgb h THR 38 Cb 0.15 1.15 -0.03 0.00 -1.73 0.00 0.00 68.15 67.68 1hgb h THR 38 CO -0.00 0.06 0.49 1.56 -0.25 0.00 0.00 175.52 177.38 1hgb h GLN 39 N 0.00 0.09 -0.58 4.72 4.20 -1.45 -2.64 115.11 119.44 1hgb h GLN 39 Ca -0.00 -0.01 0.19 0.00 0.06 0.00 0.00 58.65 58.89 1hgb h GLN 39 Cb 0.14 -0.02 -0.11 0.00 0.30 0.00 0.00 27.48 27.79 1hgb h GLN 39 CO 0.01 0.06 0.12 2.89 -0.67 0.00 0.00 178.83 181.24 1hgb n ARG 40 N -4.37 -0.04 0.00 1.46 1.85 -0.87 0.24 116.66 114.93 1hgb n ARG 40 Ca 0.13 0.85 0.15 0.00 -1.00 0.00 0.00 57.85 57.98 1hgb n ARG 40 Cb 0.70 -1.40 0.69 0.00 -1.05 0.00 0.00 32.46 31.40 1hgb n ARG 40 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1hgb n PHE 41 N -4.58 0.00 -2.39 2.89 3.01 -1.00 -4.11 117.46 111.29 1hgb n PHE 41 Ca 0.17 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.48 1hgb n PHE 41 Cb 0.56 -0.18 0.03 0.00 -0.01 0.00 0.00 39.48 39.87 1hgb n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1hgb n PHE 42 N -1.02 2.14 0.10 1.38 3.72 0.67 -4.78 117.46 119.68 1hgb n PHE 42 Ca 0.16 -2.25 -0.01 0.00 -0.05 0.00 0.00 57.45 55.29 1hgb n PHE 42 Cb 0.25 -0.29 0.25 0.00 -0.94 0.00 0.00 39.48 38.75 1hgb n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1hgb h GLU 43 N 2.40 0.22 0.00 -1.08 4.11 -1.71 -2.42 114.58 116.10 1hgb h GLU 43 Ca 0.15 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.49 1hgb h GLU 43 Cb 1.39 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1hgb h GLU 43 CO 0.53 0.57 0.00 -1.13 0.07 0.00 0.00 179.01 179.05 1hgb n SER 44 N -4.05 0.32 0.21 3.06 3.41 -1.26 -2.07 113.62 113.24 1hgb n SER 44 Ca -0.01 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 1hgb n SER 44 Cb 0.45 -0.65 0.20 0.00 -0.26 0.00 0.00 64.21 63.95 1hgb n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1hgb h PHE 45 N 0.00 0.00 0.00 7.33 -1.00 -1.80 -3.50 116.94 117.96 1hgb h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1hgb h PHE 45 Cb 0.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.82 1hgb h PHE 45 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1hgb n GLY 46 N 1.09 0.70 3.57 -1.45 0.00 -0.88 -4.80 105.19 103.42 1hgb n GLY 46 Ca 0.04 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 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 5.63 -0.02 1.61 2.15 -1.26 -4.77 116.67 116.02 1hgb s ASP 47 Ca 0.00 0.56 0.03 0.00 0.43 0.00 0.00 52.55 53.56 1hgb s ASP 47 Cb 0.00 -2.53 0.04 0.00 -0.30 0.00 0.00 42.92 40.13 1hgb s ASP 47 CO 0.00 -2.05 1.00 0.18 -0.17 0.00 0.00 175.17 174.13 1hgb n LEU 48 N 11.37 1.95 0.11 -1.34 4.77 -1.26 -4.12 117.00 128.48 1hgb n LEU 48 Ca 0.19 -2.06 0.07 0.00 -0.03 0.00 0.00 56.01 54.19 1hgb n LEU 48 Cb 0.50 -0.06 0.39 0.00 -2.33 0.00 0.00 43.42 41.92 1hgb n LEU 48 CO 0.70 0.51 0.73 -1.54 -1.33 0.00 0.00 177.39 176.46 1hgb n SER 49 N -0.60 0.37 -4.12 -1.43 3.41 -1.26 -4.70 113.62 105.29 1hgb n SER 49 Ca 0.02 0.65 -0.08 0.00 -0.26 0.00 0.00 58.87 59.20 1hgb n SER 49 Cb 0.32 -0.69 -0.10 0.00 -0.26 0.00 0.00 64.21 63.48 1hgb n SER 49 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1hgb s THR 50 N -3.34 0.21 0.22 6.66 2.01 -1.26 -5.01 115.64 115.12 1hgb s THR 50 Ca -0.02 -1.86 -0.09 0.00 0.31 0.00 0.00 61.69 60.04 1hgb s THR 50 Cb 0.04 -1.73 0.18 0.00 0.01 0.00 0.00 72.50 71.00 1hgb s THR 50 CO 0.13 -0.79 1.85 -0.65 -0.69 0.00 0.00 174.62 174.47 1hgb h PRO 51 N 3.03 1.14 -0.15 4.92 0.11 -1.98 -0.91 132.00 138.16 1hgb h PRO 51 Ca -0.35 -0.12 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 1hgb h PRO 51 Cb 1.16 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1hgb h PRO 51 CO 0.63 0.82 -0.47 -0.44 -0.21 0.00 0.00 178.00 178.33 1hgb h ASP 52 N 1.14 0.67 -0.44 -2.05 3.32 -1.96 0.59 116.42 117.68 1hgb h ASP 52 Ca 0.29 -0.60 0.06 0.00 0.02 0.00 0.00 57.03 56.80 1hgb h ASP 52 Cb -0.01 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1hgb h ASP 52 CO -0.05 1.16 0.30 0.00 -1.72 0.00 0.00 179.24 178.92 1hgb h ALA 53 N 0.53 1.95 0.00 3.45 0.00 -1.73 -2.30 119.26 121.16 1hgb h ALA 53 Ca -0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1hgb h ALA 53 Cb 1.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1hgb h ALA 53 CO 0.10 -0.03 -0.41 0.28 0.00 0.00 0.00 179.25 179.20 1hgb h VAL 54 N 0.37 1.17 -0.19 0.00 2.07 -1.09 -3.17 116.25 115.41 1hgb h VAL 54 Ca 0.19 -2.02 0.05 0.00 0.82 0.00 0.00 66.70 65.74 1hgb h VAL 54 Cb 0.30 2.36 -0.06 0.00 -1.52 0.00 0.00 31.29 32.38 1hgb h VAL 54 CO -0.05 0.40 -0.16 0.24 0.02 0.00 0.00 177.57 178.02 1hgb h MET 55 N -1.00 -0.16 -0.22 1.57 2.07 -0.80 -0.62 114.93 115.76 1hgb h MET 55 Ca -0.10 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 1hgb h MET 55 Cb 0.92 0.04 0.00 0.00 -1.87 0.00 0.00 31.60 30.69 1hgb h MET 55 CO -0.06 -0.11 0.00 0.41 1.07 0.00 0.00 176.91 178.22 1hgb n GLY 56 N -1.31 0.02 3.65 8.32 0.00 -0.87 -4.78 105.19 110.21 1hgb n GLY 56 Ca -0.02 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 1hgb n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hgb s ASN 57 N -0.98 6.99 0.47 1.61 3.84 -0.24 -4.88 114.94 121.74 1hgb s ASN 57 Ca 0.14 1.22 0.31 0.00 0.21 0.00 0.00 52.86 54.74 1hgb s ASN 57 Cb 0.07 -2.54 1.29 0.00 -0.55 0.00 0.00 41.25 39.52 1hgb s ASN 57 CO 0.09 -0.80 1.92 1.55 -2.79 0.00 0.00 177.10 177.07 1hgb h PRO 58 N 7.91 0.00 0.00 0.43 0.13 -1.87 -1.41 132.00 137.19 1hgb h PRO 58 Ca -0.20 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.90 1hgb h PRO 58 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1hgb h PRO 58 CO 1.01 0.00 -0.18 0.87 -0.23 0.00 0.00 178.00 179.47 1hgb h LYS 59 N 0.00 0.00 0.04 0.86 1.79 -1.90 -2.89 116.57 114.47 1hgb h LYS 59 Ca 0.00 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 1hgb h LYS 59 Cb 0.46 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1hgb h LYS 59 CO 0.00 0.09 -0.43 0.28 -1.08 0.00 0.00 179.45 178.31 1hgb h VAL 60 N 0.00 1.57 -0.25 0.50 2.07 -1.67 -3.19 116.25 115.28 1hgb h VAL 60 Ca -0.00 -2.37 0.03 0.00 0.82 0.00 0.00 66.70 65.18 1hgb h VAL 60 Cb 1.08 3.15 -0.01 0.00 -1.52 0.00 0.00 31.29 33.99 1hgb h VAL 60 CO 0.01 0.60 0.17 0.11 0.02 0.00 0.00 177.57 178.48 1hgb h LYS 61 N -0.83 0.20 0.04 1.57 1.57 -1.33 0.29 116.57 118.09 1hgb h LYS 61 Ca -0.10 -0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 58.42 1hgb h LYS 61 Cb 1.22 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1hgb h LYS 61 CO 0.01 0.13 -1.27 0.00 -0.57 0.00 0.00 179.45 177.75 1hgb h ALA 62 N 1.86 0.37 0.05 3.86 0.00 -1.66 -2.92 119.26 120.82 1hgb h ALA 62 Ca 0.11 -1.05 -0.16 0.00 0.00 0.00 0.00 54.91 53.81 1hgb h ALA 62 Cb 0.16 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.04 1hgb h ALA 62 CO -0.02 1.25 -0.64 1.25 0.00 0.00 0.00 179.25 181.09 1hgb h HIS 63 N 0.02 0.55 -0.54 0.00 -0.00 -1.46 -3.13 115.15 110.59 1hgb h HIS 63 Ca -0.12 -0.33 0.11 0.00 -0.00 0.00 0.00 60.37 60.02 1hgb h HIS 63 Cb 1.89 -0.05 -0.10 0.00 -0.00 0.00 0.00 27.41 29.15 1hgb h HIS 63 CO 0.02 1.19 -0.14 0.78 -0.00 0.00 0.00 177.93 179.78 1hgb h GLY 64 N -0.24 0.39 0.73 5.26 0.00 -1.05 -0.63 103.07 107.52 1hgb h GLY 64 Ca -0.09 0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.47 1hgb h GLY 64 CO 0.12 -0.21 0.38 0.50 0.00 0.00 0.00 176.54 177.34 1hgb h LYS 65 N -0.00 0.69 -0.40 4.80 1.57 -1.56 -0.59 116.57 121.07 1hgb h LYS 65 Ca 0.26 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1hgb h LYS 65 Cb 0.40 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1hgb h LYS 65 CO -0.56 0.46 0.18 0.87 -0.57 0.00 0.00 179.45 179.83 1hgb h LYS 66 N 0.71 0.59 0.27 3.15 1.57 -1.16 0.14 116.57 121.85 1hgb h LYS 66 Ca 0.29 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1hgb h LYS 66 Cb 0.14 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1hgb h LYS 66 CO -0.16 0.53 -0.13 0.28 -0.57 0.00 0.00 179.45 179.40 1hgb h VAL 67 N 0.51 0.75 -0.99 0.50 2.07 -0.88 -0.07 116.25 118.15 1hgb h VAL 67 Ca 0.14 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1hgb h VAL 67 Cb 0.14 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 1hgb h VAL 67 CO -0.02 0.02 0.65 -0.07 0.02 0.00 0.00 177.57 178.18 1hgb h LEU 68 N -0.42 1.11 -0.29 2.57 -0.00 -1.00 0.28 115.31 117.56 1hgb h LEU 68 Ca -0.04 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.81 1hgb h LEU 68 Cb 0.32 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.70 1hgb h LEU 68 CO 0.06 0.78 0.15 1.23 -0.00 0.00 0.00 178.44 180.66 1hgb h GLY 69 N 1.30 0.45 0.99 0.83 0.00 -0.51 1.20 103.07 107.32 1hgb h GLY 69 Ca 0.37 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.43 1hgb h GLY 69 CO -0.10 0.21 0.09 0.00 0.00 0.00 0.00 176.54 176.74 1hgb h ALA 70 N 1.01 0.68 0.44 3.60 0.00 -0.32 -1.34 119.26 123.32 1hgb h ALA 70 Ca 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1hgb h ALA 70 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1hgb h ALA 70 CO -0.01 0.41 -0.30 0.35 0.00 0.00 0.00 179.25 179.69 1hgb h PHE 71 N 0.72 -0.80 -1.31 0.00 3.04 -0.22 -2.41 116.94 115.96 1hgb h PHE 71 Ca 0.16 -0.00 0.39 0.00 3.98 0.00 0.00 57.97 62.49 1hgb h PHE 71 Cb 0.39 0.29 -0.09 0.00 2.56 0.00 0.00 35.95 39.11 1hgb h PHE 71 CO 0.03 -0.46 0.89 1.03 -2.02 0.00 0.00 178.31 177.79 1hgb h SER 72 N -0.72 0.18 0.91 0.41 0.87 0.17 0.39 113.55 115.75 1hgb h SER 72 Ca -0.04 0.06 -0.22 0.00 -1.23 0.00 0.00 61.79 60.35 1hgb h SER 72 Cb 0.61 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 1hgb h SER 72 CO 0.02 -0.03 -1.14 -0.78 -0.53 0.00 0.00 176.83 174.37 1hgb h ASP 73 N 0.12 0.00 0.80 6.23 3.58 -0.88 -3.24 116.42 123.03 1hgb h ASP 73 Ca 0.70 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 58.13 1hgb h ASP 73 Cb 2.39 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 43.44 1hgb h ASP 73 CO -0.20 0.97 -0.10 1.23 -2.88 0.00 0.00 179.24 178.25 1hgb h GLY 74 N 3.15 0.00 2.00 -0.78 0.00 0.25 -2.18 103.07 105.51 1hgb h GLY 74 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1hgb h GLY 74 CO 0.11 0.00 -0.08 1.41 0.00 0.00 0.00 176.54 177.99 1hgb h LEU 75 N 0.00 0.00 -0.27 3.11 3.38 -1.50 -2.60 115.31 117.43 1hgb h LEU 75 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hgb h LEU 75 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1hgb h LEU 75 CO 0.01 0.08 -0.00 0.00 0.09 0.00 0.00 178.44 178.62 1hgb h ALA 76 N 1.92 1.00 -1.04 1.53 0.00 -1.56 -3.32 119.26 117.80 1hgb h ALA 76 Ca -0.00 -0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.47 1hgb h ALA 76 Cb 0.35 -0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.73 1hgb h ALA 76 CO 0.01 0.00 -0.99 0.72 0.00 0.00 0.00 179.25 178.99 1hgb n HIS 77 N -3.10 2.07 -0.36 0.00 8.25 -0.99 -4.92 115.22 116.17 1hgb n HIS 77 Ca 0.03 -2.72 0.33 0.00 -0.26 0.00 0.00 57.72 55.10 1hgb n HIS 77 Cb 0.49 -0.26 0.60 0.00 1.12 0.00 0.00 29.99 31.94 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 2.71 0.32 0.00 2.41 4.07 -1.64 0.80 115.31 123.97 1hgb h LEU 78 Ca 0.08 0.22 0.00 0.00 0.08 0.00 0.00 57.88 58.26 1hgb h LEU 78 Cb 1.16 0.22 0.00 0.00 1.08 0.00 0.00 40.66 43.12 1hgb h LEU 78 CO 0.59 -0.34 0.00 -0.90 -1.08 0.00 0.00 178.44 176.71 1hgb n ASP 79 N -5.08 0.00 -2.70 -0.43 5.68 -1.26 -3.78 116.55 108.97 1hgb n ASP 79 Ca 0.38 0.37 -0.07 0.00 -0.50 0.00 0.00 54.79 54.97 1hgb n ASP 79 Cb 1.31 -0.39 0.09 0.00 -1.14 0.00 0.00 41.12 40.99 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 -1.39 -1.94 0.08 -1.12 4.05 0.28 -4.96 115.26 110.26 1hgb n ASN 80 Ca 0.01 -2.92 0.16 0.00 0.45 0.00 0.00 54.58 52.29 1hgb n ASN 80 Cb 0.03 1.52 0.67 0.00 1.23 0.00 0.00 39.78 43.23 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 2.48 0.00 -0.22 1.20 3.38 -1.65 -1.96 115.31 118.54 1hgb h LEU 81 Ca -0.22 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.58 1hgb h LEU 81 Cb 1.18 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1hgb h LEU 81 CO 0.03 0.00 -0.52 0.11 0.09 0.00 0.00 178.44 178.16 1hgb h LYS 82 N 0.00 0.74 -0.33 1.13 1.57 -1.91 -1.52 116.57 116.26 1hgb h LYS 82 Ca 0.18 -0.50 -0.04 0.00 -1.87 0.00 0.00 60.65 58.41 1hgb h LYS 82 Cb 0.70 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1hgb h LYS 82 CO -0.00 1.13 0.06 0.78 -0.57 0.00 0.00 179.45 180.84 1hgb h GLY 83 N 0.47 0.58 0.24 3.86 0.00 -1.76 -0.84 103.07 105.62 1hgb h GLY 83 Ca -0.00 -0.39 0.08 0.00 0.00 0.00 0.00 47.33 47.02 1hgb h GLY 83 CO 0.11 0.36 -0.08 -0.84 0.00 0.00 0.00 176.54 176.09 1hgb h THR 84 N 0.37 0.62 -0.02 4.70 2.02 -1.49 -3.07 112.91 116.06 1hgb h THR 84 Ca 0.10 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1hgb h THR 84 Cb 0.34 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1hgb h THR 84 CO 0.01 0.00 -0.17 0.49 0.37 0.00 0.00 175.52 176.21 1hgb n PHE 85 N -5.28 0.00 -0.33 3.16 3.72 -0.57 -4.56 117.46 113.60 1hgb n PHE 85 Ca 0.02 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.44 1hgb n PHE 85 Cb 0.22 -0.04 0.08 0.00 -0.94 0.00 0.00 39.48 38.80 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 4.11 0.38 -0.05 4.37 0.00 -1.05 0.45 119.26 127.48 1hgb h ALA 86 Ca 0.00 0.31 -0.19 0.00 0.00 0.00 0.00 54.91 55.03 1hgb h ALA 86 Cb 0.64 0.81 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1hgb h ALA 86 CO 0.00 -0.50 -0.78 1.79 0.00 0.00 0.00 179.25 179.76 1hgb h THR 87 N -0.02 1.41 0.00 0.00 1.35 -1.81 -2.40 112.91 111.43 1hgb h THR 87 Ca 0.38 -2.28 -0.10 0.00 -0.55 0.00 0.00 66.41 63.86 1hgb h THR 87 Cb 0.63 2.23 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 1hgb h THR 87 CO -0.92 0.68 -0.49 -0.07 -0.25 0.00 0.00 175.52 174.47 1hgb h LEU 88 N 0.22 0.00 0.51 3.87 3.38 -1.50 -2.00 115.31 119.79 1hgb h LEU 88 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1hgb h LEU 88 Cb 1.37 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.13 1hgb h LEU 88 CO 0.13 0.49 -0.25 -1.28 0.09 0.00 0.00 178.44 177.62 1hgb h SER 89 N 0.00 -0.58 -0.95 -0.43 0.87 0.06 -2.15 113.55 110.36 1hgb h SER 89 Ca -0.00 0.02 0.16 0.00 -1.23 0.00 0.00 61.79 60.73 1hgb h SER 89 Cb 0.97 0.15 -0.08 0.00 -0.44 0.00 0.00 62.40 63.00 1hgb h SER 89 CO 0.06 -0.37 0.60 -0.33 -0.53 0.00 0.00 176.83 176.27 1hgb h GLU 90 N -0.78 0.74 0.95 2.24 5.08 -1.44 -2.33 114.58 119.04 1hgb h GLU 90 Ca -0.07 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1hgb h GLU 90 Cb 0.53 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1hgb h GLU 90 CO 0.12 0.49 -0.46 1.25 -1.00 0.00 0.00 179.01 179.41 1hgb h LEU 91 N 0.77 -1.08 -2.08 1.33 5.85 -1.33 -0.69 115.31 118.08 1hgb h LEU 91 Ca 0.50 0.04 0.09 0.00 0.84 0.00 0.00 57.88 59.35 1hgb h LEU 91 Cb 0.75 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1hgb h LEU 91 CO -0.26 -0.76 0.34 0.45 -0.34 0.00 0.00 178.44 177.86 1hgb h HIS 92 N -1.30 0.00 0.00 1.25 3.86 -1.16 0.42 115.15 118.22 1hgb h HIS 92 Ca -0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1hgb h HIS 92 Cb 0.98 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.45 1hgb h HIS 92 CO 0.01 0.00 -0.02 0.00 0.86 0.00 0.00 177.93 178.78 1hgb h ASP 94 N -0.11 0.00 0.00 0.00 3.32 -1.07 -2.25 116.42 116.31 1hgb h ASP 94 Ca 0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 1hgb h ASP 94 Cb 0.02 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1hgb h ASP 94 CO 0.00 0.26 -1.50 0.29 -1.72 0.00 0.00 179.24 176.57 1hgb n LYS 95 N -3.65 0.30 0.16 3.56 4.76 0.14 -4.72 118.16 118.71 1hgb n LYS 95 Ca -0.01 0.13 0.09 0.00 -2.87 0.00 0.00 58.31 55.65 1hgb n LYS 95 Cb 0.39 -1.00 0.08 0.00 -1.84 0.00 0.00 35.03 32.65 1hgb n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1hgb h LEU 96 N -0.52 0.00 -0.60 -0.35 3.38 -1.52 -3.49 115.31 112.22 1hgb h LEU 96 Ca -0.28 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.24 1hgb h LEU 96 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1hgb h LEU 96 CO -0.17 0.13 -0.71 1.41 0.09 0.00 0.00 178.44 179.19 1hgb n HIS 97 N -2.99 -2.35 -2.90 1.13 8.25 -0.36 -4.93 115.22 111.07 1hgb n HIS 97 Ca 0.02 0.85 -0.41 0.00 -0.26 0.00 0.00 57.72 57.92 1hgb n HIS 97 Cb 0.59 -4.15 -0.04 0.00 1.12 0.00 0.00 29.99 27.51 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 -3.26 4.97 -0.05 1.59 1.01 0.24 -4.98 120.40 119.92 1hgb s VAL 98 Ca 0.59 1.70 -0.30 0.00 0.00 0.00 0.00 61.98 63.98 1hgb s VAL 98 Cb -0.29 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1hgb s VAL 98 CO 0.73 0.21 1.36 -0.62 0.00 0.00 0.00 175.10 176.78 1hgb s ASP 99 N 0.90 6.89 0.60 3.32 2.15 -1.26 -4.63 116.67 124.64 1hgb s ASP 99 Ca 0.43 1.98 0.29 0.00 0.43 0.00 0.00 52.55 55.68 1hgb s ASP 99 Cb -0.19 -2.55 1.46 0.00 -0.30 0.00 0.00 42.92 41.34 1hgb s ASP 99 CO 0.22 -0.72 1.87 -0.65 -0.17 0.00 0.00 175.17 175.72 1hgb h PRO 100 N 8.01 0.00 0.00 4.34 0.11 -1.96 -0.35 132.00 142.16 1hgb h PRO 100 Ca -0.35 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 1hgb h PRO 100 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1hgb h PRO 100 CO 0.92 0.00 -0.03 1.49 -0.21 0.00 0.00 178.00 180.17 1hgb h GLU 101 N 0.00 0.00 -0.67 1.05 4.57 -1.97 -2.09 114.58 115.47 1hgb h GLU 101 Ca 0.20 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.32 1hgb h GLU 101 Cb 1.18 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.74 1hgb h GLU 101 CO -0.00 0.03 0.18 -0.91 -1.18 0.00 0.00 179.01 177.13 1hgb h ASN 102 N 0.00 0.99 -0.89 1.04 4.21 -1.44 -2.25 115.58 117.24 1hgb h ASN 102 Ca -0.00 -0.22 0.07 0.00 1.21 0.00 0.00 56.30 57.36 1hgb h ASN 102 Cb 0.18 -0.26 -0.06 0.00 -1.12 0.00 0.00 38.32 37.06 1hgb h ASN 102 CO 0.00 0.96 0.58 -0.26 -1.29 0.00 0.00 177.43 177.42 1hgb h PHE 103 N 0.98 1.00 -0.34 1.19 0.04 -1.55 0.25 116.94 118.51 1hgb h PHE 103 Ca 0.21 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.87 1hgb h PHE 103 Cb 0.34 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1hgb h PHE 103 CO 0.03 0.51 -0.35 0.00 -0.60 0.00 0.00 178.31 177.89 1hgb h ARG 104 N 0.97 0.77 -0.44 1.51 3.08 -1.43 -2.29 114.38 116.55 1hgb h ARG 104 Ca 0.39 -0.38 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1hgb h ARG 104 Cb 0.26 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1hgb h ARG 104 CO -0.15 1.00 -0.18 -0.07 -1.07 0.00 0.00 179.97 179.50 1hgb h LEU 105 N 0.64 0.87 -0.47 3.04 3.38 -0.64 -2.85 115.31 119.28 1hgb h LEU 105 Ca 0.06 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 1hgb h LEU 105 Cb 0.89 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1hgb h LEU 105 CO 0.08 1.04 0.00 0.25 0.09 0.00 0.00 178.44 179.90 1hgb h LEU 106 N 0.76 0.80 -1.11 1.67 5.85 -0.45 -2.23 115.31 120.60 1hgb h LEU 106 Ca 0.11 -0.31 0.11 0.00 0.84 0.00 0.00 57.88 58.63 1hgb h LEU 106 Cb 0.71 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 1hgb h LEU 106 CO 0.05 0.91 0.61 1.23 -0.34 0.00 0.00 178.44 180.91 1hgb h GLY 107 N 0.67 1.46 1.46 3.75 0.00 -1.28 0.41 103.07 109.55 1hgb h GLY 107 Ca 0.13 -0.40 -0.21 0.00 0.00 0.00 0.00 47.33 46.85 1hgb h GLY 107 CO 0.02 0.18 -0.84 3.43 0.00 0.00 0.00 176.54 179.34 1hgb h ASN 108 N 0.94 0.63 -0.67 0.19 2.35 -1.35 -1.43 115.58 116.24 1hgb h ASN 108 Ca 0.46 -0.45 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1hgb h ASN 108 Cb 0.46 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 1hgb h ASN 108 CO -0.22 1.23 0.25 0.58 -1.65 0.00 0.00 177.43 177.62 1hgb h VAL 109 N 0.32 1.25 -0.70 2.81 2.07 -0.70 -2.56 116.25 118.73 1hgb h VAL 109 Ca -0.06 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.61 1hgb h VAL 109 Cb 1.46 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1hgb h VAL 109 CO 0.15 0.31 0.23 0.25 0.02 0.00 0.00 177.57 178.53 1hgb h LEU 110 N 0.96 1.02 -1.42 2.57 5.85 -0.09 -0.89 115.31 123.32 1hgb h LEU 110 Ca 0.22 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1hgb h LEU 110 Cb 0.24 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1hgb h LEU 110 CO -0.02 0.95 -0.29 0.58 -0.34 0.00 0.00 178.44 179.32 1hgb h VAL 111 N 1.03 1.21 -0.15 1.05 2.07 -1.02 -2.10 116.25 118.34 1hgb h VAL 111 Ca 0.23 -1.00 -0.14 0.00 0.82 0.00 0.00 66.70 66.61 1hgb h VAL 111 Cb 0.29 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1hgb h VAL 111 CO -0.01 0.29 -0.44 0.00 0.02 0.00 0.00 177.57 177.43 1hgb h VAL 113 N 0.20 0.81 -0.59 0.00 2.07 -0.90 -0.37 116.25 117.48 1hgb h VAL 113 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1hgb h VAL 113 Cb 1.06 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1hgb h VAL 113 CO 0.09 0.00 0.32 -0.07 0.02 0.00 0.00 177.57 177.93 1hgb h LEU 114 N -0.17 0.48 -0.62 2.57 3.38 -1.44 -0.73 115.31 118.79 1hgb h LEU 114 Ca 0.01 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1hgb h LEU 114 Cb 0.17 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1hgb h LEU 114 CO -0.04 0.32 0.07 0.00 0.09 0.00 0.00 178.44 178.88 1hgb h ALA 115 N 1.30 0.82 0.15 1.53 0.00 -1.12 0.11 119.26 122.05 1hgb h ALA 115 Ca 0.26 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1hgb h ALA 115 Cb 0.14 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1hgb h ALA 115 CO -0.16 0.60 -0.33 1.25 0.00 0.00 0.00 179.25 180.62 1hgb h HIS 116 N 0.94 -0.90 -0.16 0.00 6.17 -0.35 0.17 115.15 121.03 1hgb h HIS 116 Ca 0.18 0.02 -0.10 0.00 0.71 0.00 0.00 60.37 61.19 1hgb h HIS 116 Cb 0.47 0.37 -0.00 0.00 2.52 0.00 0.00 27.41 30.77 1hgb h HIS 116 CO 0.03 -0.44 -0.27 1.25 0.71 0.00 0.00 177.93 179.21 1hgb h HIS 117 N -0.57 0.58 0.00 5.26 6.17 -1.13 -3.31 115.15 122.15 1hgb h HIS 117 Ca 0.02 -0.20 0.00 0.00 0.71 0.00 0.00 60.37 60.90 1hgb h HIS 117 Cb 0.59 -0.11 0.00 0.00 2.52 0.00 0.00 27.41 30.41 1hgb h HIS 117 CO -0.28 0.90 -0.65 0.74 0.71 0.00 0.00 177.93 179.36 1hgb h PHE 118 N 0.09 0.00 0.00 5.26 0.04 -0.80 -3.49 116.94 118.04 1hgb h PHE 118 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1hgb h PHE 118 Cb 0.86 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.01 1hgb h PHE 118 CO 0.09 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.21 1hgb n GLY 119 N 1.33 3.30 0.34 -1.45 0.00 0.60 -1.60 105.19 107.70 1hgb n GLY 119 Ca 0.03 0.06 0.17 0.00 0.00 0.00 0.00 46.02 46.28 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 1.63 -1.95 -1.05 116.57 116.81 1hgb h LYS 120 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1hgb h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1hgb h LYS 120 CO 0.00 0.00 -0.35 1.49 -3.45 0.00 0.00 179.45 177.14 1hgb h GLU 121 N 0.00 0.00 -3.70 1.90 4.81 -1.68 -3.38 114.58 112.53 1hgb h GLU 121 Ca 0.01 0.00 -0.78 0.00 -0.13 0.00 0.00 59.36 58.46 1hgb h GLU 121 Cb 0.54 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 29.70 1hgb h GLU 121 CO -0.00 0.00 1.15 0.34 -0.73 0.00 0.00 179.01 179.77 1hgb n PHE 122 N -2.71 3.91 -1.88 0.92 7.35 -0.40 -4.96 117.46 119.69 1hgb n PHE 122 Ca 0.03 -3.18 -0.32 0.00 -0.76 0.00 0.00 57.45 53.23 1hgb n PHE 122 Cb 0.51 -1.78 0.02 0.00 0.35 0.00 0.00 39.48 38.57 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 -0.51 4.22 0.24 -2.13 -4.23 -1.26 -4.70 115.64 107.27 1hgb s THR 123 Ca 0.36 0.84 -0.13 0.00 -1.18 0.00 0.00 61.69 61.59 1hgb s THR 123 Cb 0.00 -3.56 0.32 0.00 1.34 0.00 0.00 72.50 70.61 1hgb s THR 123 CO 0.01 -0.82 1.58 -0.65 -0.54 0.00 0.00 174.62 174.20 1hgb h PRO 124 N -0.11 -0.02 -0.96 3.99 0.11 -1.95 0.76 132.00 133.83 1hgb h PRO 124 Ca -0.45 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.75 1hgb h PRO 124 Cb 1.20 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 1hgb h PRO 124 CO 0.59 -0.01 0.62 -1.35 -0.21 0.00 0.00 178.00 177.63 1hgb h PRO 125 N -0.02 1.01 -0.16 1.05 0.11 -1.99 0.88 132.00 132.88 1hgb h PRO 125 Ca 0.38 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.30 1hgb h PRO 125 Cb 0.62 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1hgb h PRO 125 CO -0.88 0.67 -0.42 0.28 -0.21 0.00 0.00 178.00 177.43 1hgb h VAL 126 N 1.04 1.34 -0.66 3.15 2.07 -0.32 -2.60 116.25 120.27 1hgb h VAL 126 Ca 0.44 -1.69 0.04 0.00 0.82 0.00 0.00 66.70 66.31 1hgb h VAL 126 Cb 0.31 1.99 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 1hgb h VAL 126 CO -0.19 0.52 0.40 -0.61 0.02 0.00 0.00 177.57 177.71 1hgb h GLN 127 N 0.22 0.76 -0.29 1.57 4.15 0.88 -2.42 115.11 119.97 1hgb h GLN 127 Ca -0.01 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.43 1hgb h GLN 127 Cb 1.04 -0.17 -0.08 0.00 0.21 0.00 0.00 27.48 28.48 1hgb h GLN 127 CO 0.09 0.50 -0.36 0.00 -1.93 0.00 0.00 178.83 177.13 1hgb h ALA 128 N 1.30 -0.36 -0.50 3.38 0.00 -0.70 0.42 119.26 122.81 1hgb h ALA 128 Ca 0.28 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.32 1hgb h ALA 128 Cb 0.06 0.74 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 1hgb h ALA 128 CO -0.12 -0.81 0.11 0.00 0.00 0.00 0.00 179.25 178.42 1hgb h ALA 129 N 0.49 0.56 -0.22 0.00 0.00 -1.30 -1.95 119.26 116.84 1hgb h ALA 129 Ca 0.13 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1hgb h ALA 129 Cb 0.57 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1hgb h ALA 129 CO -0.48 -0.30 -0.29 1.88 0.00 0.00 0.00 179.25 180.06 1hgb h TYR 130 N 0.24 0.50 -0.81 0.00 0.05 -0.81 -1.52 116.97 114.62 1hgb h TYR 130 Ca 0.25 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 1hgb h TYR 130 Cb 0.33 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 37.91 1hgb h TYR 130 CO -0.22 0.69 0.47 1.96 -1.05 0.00 0.00 178.16 180.01 1hgb h GLN 131 N 0.38 1.11 -0.92 4.88 1.08 0.44 0.55 115.11 122.63 1hgb h GLN 131 Ca 0.05 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1hgb h GLN 131 Cb 0.71 -0.23 -0.04 0.00 -0.05 0.00 0.00 27.48 27.87 1hgb h GLN 131 CO 0.05 0.79 0.56 0.87 -0.95 0.00 0.00 178.83 180.16 1hgb h LYS 132 N 1.11 1.25 0.70 1.46 1.57 -0.57 -1.84 116.57 120.24 1hgb h LYS 132 Ca 0.29 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1hgb h LYS 132 Cb -0.02 -0.26 0.01 0.00 0.08 0.00 0.00 32.23 32.04 1hgb h LYS 132 CO -0.05 0.87 -0.34 0.28 -0.57 0.00 0.00 179.45 179.64 1hgb h VAL 133 N 1.27 0.21 -0.75 0.50 2.07 -0.69 -0.21 116.25 118.65 1hgb h VAL 133 Ca 0.33 -0.20 0.14 0.00 0.82 0.00 0.00 66.70 67.79 1hgb h VAL 133 Cb -0.06 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 29.92 1hgb h VAL 133 CO -0.06 0.02 0.50 -0.37 0.02 0.00 0.00 177.57 177.68 1hgb h VAL 134 N -1.10 0.82 0.23 2.57 -1.51 -0.84 -0.11 116.25 116.32 1hgb h VAL 134 Ca -0.10 -0.16 -0.01 0.00 -1.23 0.00 0.00 66.70 65.21 1hgb h VAL 134 Cb 0.75 0.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 1hgb h VAL 134 CO 0.16 0.08 -0.11 0.00 -1.23 0.00 0.00 177.57 176.47 1hgb h ALA 135 N 1.64 -0.31 -0.66 5.19 0.00 -1.22 -1.20 119.26 122.70 1hgb h ALA 135 Ca 0.37 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.23 1hgb h ALA 135 Cb 0.78 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 1hgb h ALA 135 CO -0.12 -0.50 0.08 0.78 0.00 0.00 0.00 179.25 179.49 1hgb h GLY 136 N -0.67 0.80 0.91 0.00 0.00 0.57 -0.76 103.07 103.93 1hgb h GLY 136 Ca -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1hgb h GLY 136 CO 0.05 -0.19 -0.11 -2.08 0.00 0.00 0.00 176.54 174.21 1hgb h VAL 137 N 0.19 0.80 -0.63 4.60 2.07 -1.04 0.68 116.25 122.92 1hgb h VAL 137 Ca 0.36 -0.18 0.12 0.00 0.82 0.00 0.00 66.70 67.81 1hgb h VAL 137 Cb 0.58 0.91 -0.12 0.00 -1.52 0.00 0.00 31.29 31.14 1hgb h VAL 137 CO -0.51 0.04 -0.27 0.00 0.02 0.00 0.00 177.57 176.85 1hgb h ALA 138 N 0.34 0.15 -0.30 1.67 0.00 -0.47 1.34 119.26 121.99 1hgb h ALA 138 Ca -0.03 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1hgb h ALA 138 Cb 0.31 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1hgb h ALA 138 CO 0.05 -0.58 0.17 -0.91 0.00 0.00 0.00 179.25 177.99 1hgb h ASN 139 N -0.10 0.37 -0.69 0.00 4.21 -0.97 0.52 115.58 118.93 1hgb h ASN 139 Ca 0.27 -0.07 -0.05 0.00 1.21 0.00 0.00 56.30 57.65 1hgb h ASN 139 Cb 0.54 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.61 1hgb h ASN 139 CO -0.69 0.34 0.22 0.00 -1.29 0.00 0.00 177.43 176.00 1hgb h ALA 140 N 1.05 0.90 0.00 -0.83 0.00 0.30 -1.25 119.26 119.43 1hgb h ALA 140 Ca 0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1hgb h ALA 140 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1hgb h ALA 140 CO -0.02 0.58 -0.21 -0.07 0.00 0.00 0.00 179.25 179.53 1hgb h LEU 141 N 1.00 0.00 0.00 0.00 3.38 0.19 -3.05 115.31 116.84 1hgb h LEU 141 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1hgb h LEU 141 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1hgb h LEU 141 CO -0.01 0.21 -1.00 0.00 0.09 0.00 0.00 178.44 177.73 1hgb n ALA 142 N -2.23 3.02 -0.29 1.53 0.00 0.15 -4.31 120.51 118.38 1hgb n ALA 142 Ca -0.00 -0.33 0.25 0.00 0.00 0.00 0.00 53.44 53.36 1hgb n ALA 142 Cb 0.40 -1.04 0.59 0.00 0.00 0.00 0.00 19.45 19.40 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 0.00 0.41 -0.67 0.00 6.17 -1.12 -2.30 115.15 117.64 1hgb h HIS 143 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1hgb h HIS 143 Cb 0.82 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 30.63 1hgb h HIS 143 CO 0.00 0.05 0.00 1.63 0.71 0.00 0.00 177.93 180.32 1hgb n LYS 144 N -4.46 3.66 -2.20 5.26 4.76 -1.26 -4.94 118.16 118.98 1hgb n LYS 144 Ca 0.23 -2.89 -0.39 0.00 -2.87 0.00 0.00 58.31 52.39 1hgb n LYS 144 Cb 0.93 -1.87 -0.02 0.00 -1.84 0.00 0.00 35.03 32.23 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 -1.75 3.02 0.00 2.13 1.51 -0.87 -4.68 117.35 116.71 1hgb s TYR 145 Ca 0.52 1.49 0.00 0.00 -1.01 0.00 0.00 57.07 58.07 1hgb s TYR 145 Cb 0.33 -3.53 0.00 0.00 -0.11 0.00 0.00 41.96 38.65 1hgb s TYR 145 CO 0.26 -1.61 0.00 -2.39 -1.11 0.00 0.00 175.55 170.70