#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 4.24 0.67 7.52 1.43 -1.26 -5.08 118.68 126.20 1hgb s LEU 2 Ca 0.00 0.89 -0.09 0.00 -1.03 0.00 0.00 54.13 53.90 1hgb s LEU 2 Cb 0.00 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.41 1hgb s LEU 2 CO 0.00 -0.11 1.01 -0.94 0.23 0.00 0.00 176.35 176.54 1hgb s SER 3 N 0.86 5.34 0.45 2.29 1.04 -1.26 -4.91 113.70 117.52 1hgb s SER 3 Ca 0.29 0.85 0.31 0.00 0.48 0.00 0.00 55.95 57.87 1hgb s SER 3 Cb -0.16 -1.68 1.46 0.00 0.10 0.00 0.00 66.02 65.74 1hgb s SER 3 CO 0.12 -1.31 1.93 -0.65 0.98 0.00 0.00 173.24 174.30 1hgb h PRO 4 N -0.49 0.00 0.19 4.02 0.11 -1.99 -1.26 132.00 132.57 1hgb h PRO 4 Ca -0.45 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.33 1hgb h PRO 4 Cb 1.27 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.39 1hgb h PRO 4 CO 0.62 0.00 -1.56 0.00 -0.21 0.00 0.00 178.00 176.86 1hgb h ALA 5 N 2.07 0.08 -0.11 -0.75 0.00 -1.99 -2.73 119.26 115.84 1hgb h ALA 5 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1hgb h ALA 5 Cb 0.24 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1hgb h ALA 5 CO 0.00 0.94 0.06 -0.44 0.00 0.00 0.00 179.25 179.82 1hgb h ASP 6 N 0.11 0.10 -0.75 0.00 3.32 -1.63 0.47 116.42 118.04 1hgb h ASP 6 Ca -0.27 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.83 1hgb h ASP 6 Cb 2.09 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 41.57 1hgb h ASP 6 CO 0.21 0.08 0.46 0.11 -1.72 0.00 0.00 179.24 178.38 1hgb h LYS 7 N 0.13 0.85 0.28 3.56 1.57 -1.42 0.67 116.57 122.22 1hgb h LYS 7 Ca 0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1hgb h LYS 7 Cb -0.01 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1hgb h LYS 7 CO -0.02 0.56 -0.14 1.15 -0.57 0.00 0.00 179.45 180.44 1hgb h THR 8 N 0.88 0.75 -0.69 -0.16 2.02 -1.07 0.95 112.91 115.58 1hgb h THR 8 Ca 0.31 -0.26 0.15 0.00 0.77 0.00 0.00 66.41 67.39 1hgb h THR 8 Cb 0.09 0.90 -0.11 0.00 -1.74 0.00 0.00 68.15 67.28 1hgb h THR 8 CO -0.14 0.06 0.07 0.78 0.37 0.00 0.00 175.52 176.66 1hgb h ASN 9 N -0.52 -0.18 0.54 4.18 4.21 0.71 0.36 115.58 124.90 1hgb h ASN 9 Ca -0.04 0.16 -0.22 0.00 1.21 0.00 0.00 56.30 57.41 1hgb h ASN 9 Cb 0.38 0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.84 1hgb h ASN 9 CO 0.06 -0.10 -0.97 -0.37 -1.29 0.00 0.00 177.43 174.76 1hgb h VAL 10 N 0.17 1.48 -0.48 2.81 -1.51 0.55 -1.18 116.25 118.09 1hgb h VAL 10 Ca 0.38 -2.70 -0.06 0.00 -1.23 0.00 0.00 66.70 63.09 1hgb h VAL 10 Cb 0.64 2.56 -0.02 0.00 -2.13 0.00 0.00 31.29 32.35 1hgb h VAL 10 CO -0.55 0.79 0.03 0.11 -1.23 0.00 0.00 177.57 176.72 1hgb h LYS 11 N 0.13 0.77 0.36 5.19 1.57 -0.02 -1.56 116.57 123.02 1hgb h LYS 11 Ca -0.07 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1hgb h LYS 11 Cb 1.63 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.84 1hgb h LYS 11 CO 0.16 0.76 -0.17 0.00 -0.57 0.00 0.00 179.45 179.62 1hgb h ALA 12 N 1.31 -0.48 -0.37 3.86 0.00 -0.22 -0.90 119.26 122.46 1hgb h ALA 12 Ca 0.15 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1hgb h ALA 12 Cb 0.40 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1hgb h ALA 12 CO 0.01 -0.63 0.12 0.00 0.00 0.00 0.00 179.25 178.75 1hgb h ALA 13 N -0.25 0.42 -0.04 0.00 0.00 -1.13 -2.47 119.26 115.79 1hgb h ALA 13 Ca -0.05 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1hgb h ALA 13 Cb 0.51 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1hgb h ALA 13 CO 0.08 -0.27 -0.42 2.35 0.00 0.00 0.00 179.25 180.98 1hgb h TRP 14 N 0.27 0.09 -0.11 0.00 2.91 -1.35 -2.25 115.95 115.51 1hgb h TRP 14 Ca 0.17 -0.02 -0.09 0.00 1.13 0.00 0.00 58.89 60.07 1hgb h TRP 14 Cb 0.15 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.77 1hgb h TRP 14 CO -0.15 0.49 -0.35 0.78 -1.03 0.00 0.00 178.44 178.18 1hgb h GLY 15 N 1.27 0.24 0.93 2.65 0.00 -0.70 -2.56 103.07 104.91 1hgb h GLY 15 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 1hgb h GLY 15 CO 0.06 0.19 0.08 0.50 0.00 0.00 0.00 176.54 177.38 1hgb h LYS 16 N 0.20 0.61 -0.79 4.80 1.79 -1.20 -2.88 116.57 119.10 1hgb h LYS 16 Ca 0.02 -0.15 0.14 0.00 -2.18 0.00 0.00 60.65 58.48 1hgb h LYS 16 Cb 0.72 -0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 31.20 1hgb h LYS 16 CO 0.05 0.65 0.37 0.28 -1.08 0.00 0.00 179.45 179.73 1hgb h VAL 17 N 0.47 0.72 0.00 0.50 2.07 -1.02 -3.45 116.25 115.54 1hgb h VAL 17 Ca 0.12 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1hgb h VAL 17 Cb 0.32 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1hgb h VAL 17 CO 0.00 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.30 1hgb n GLY 18 N -1.32 2.86 0.00 2.17 0.00 -1.05 -1.33 105.19 106.51 1hgb n GLY 18 Ca 0.15 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.34 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 9.59 2.20 -0.03 4.61 0.00 -1.26 -2.87 120.51 132.76 1hgb n ALA 19 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1hgb n ALA 19 Cb 0.00 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.78 0.28 -0.01 0.00 8.25 -0.44 -4.54 115.22 117.97 1hgb n HIS 20 Ca 0.09 0.09 -0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1hgb n HIS 20 Cb 0.04 -0.85 -0.00 0.00 1.12 0.00 0.00 29.99 30.29 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 -2.48 -0.02 -0.22 -1.41 0.00 -1.14 0.48 120.51 115.74 1hgb n ALA 21 Ca -0.16 0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.32 1hgb n ALA 21 Cb 0.86 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.43 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 0.73 0.35 0.00 0.00 -1.86 0.87 103.07 103.16 1hgb h GLY 22 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.47 1hgb h GLY 22 CO -0.02 -0.21 -0.03 0.83 0.00 0.00 0.00 176.54 177.11 1hgb h GLU 23 N 0.14 0.07 0.00 4.80 3.07 1.07 -1.60 114.58 122.13 1hgb h GLU 23 Ca 0.35 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.17 1hgb h GLU 23 Cb 0.57 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1hgb h GLU 23 CO -0.54 0.04 -0.17 1.88 -1.40 0.00 0.00 179.01 178.83 1hgb h TYR 24 N 0.07 0.00 0.23 4.33 -1.99 0.79 -2.16 116.97 118.23 1hgb h TYR 24 Ca 0.18 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.90 1hgb h TYR 24 Cb 0.27 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.00 1hgb h TYR 24 CO -0.28 0.17 -0.11 0.78 -0.00 0.00 0.00 178.16 178.72 1hgb h GLY 25 N 2.12 -0.32 1.25 3.88 0.00 0.16 -2.78 103.07 107.38 1hgb h GLY 25 Ca -0.00 0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.50 1hgb h GLY 25 CO 0.02 -0.12 0.36 0.00 0.00 0.00 0.00 176.54 176.81 1hgb h ALA 26 N -0.44 1.85 -0.22 3.60 0.00 -1.35 -2.40 119.26 120.28 1hgb h ALA 26 Ca -0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1hgb h ALA 26 Cb 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1hgb h ALA 26 CO 0.05 0.06 -0.11 1.49 0.00 0.00 0.00 179.25 180.74 1hgb h GLU 27 N 0.52 0.47 -0.64 0.00 4.81 -1.42 -2.38 114.58 115.95 1hgb h GLU 27 Ca 0.24 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1hgb h GLU 27 Cb 0.27 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1hgb h GLU 27 CO -0.07 0.75 0.21 0.00 -0.73 0.00 0.00 179.01 179.18 1hgb h ALA 28 N 0.71 1.18 -0.12 2.92 0.00 -1.18 -0.58 119.26 122.18 1hgb h ALA 28 Ca 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1hgb h ALA 28 Cb 0.61 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1hgb h ALA 28 CO 0.03 0.58 -0.02 -0.07 0.00 0.00 0.00 179.25 179.77 1hgb h LEU 29 N 0.93 0.23 0.05 0.00 3.38 -1.45 -2.22 115.31 116.24 1hgb h LEU 29 Ca 0.21 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1hgb h LEU 29 Cb 0.24 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1hgb h LEU 29 CO -0.01 0.54 -0.31 -0.08 0.09 0.00 0.00 178.44 178.66 1hgb h GLU 30 N -0.07 -0.48 -0.93 1.13 4.81 -1.22 0.19 114.58 118.02 1hgb h GLU 30 Ca 0.03 0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.44 1hgb h GLU 30 Cb 0.43 0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.84 1hgb h GLU 30 CO 0.01 -0.32 0.59 0.00 -0.73 0.00 0.00 179.01 178.57 1hgb h ARG 31 N -0.49 0.71 0.09 1.92 3.08 -1.07 -1.79 114.38 116.83 1hgb h ARG 31 Ca 0.05 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1hgb h ARG 31 Cb 0.56 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1hgb h ARG 31 CO -0.23 0.47 -0.04 1.98 -1.07 0.00 0.00 179.97 181.08 1hgb h MET 32 N 0.73 -0.12 -0.81 0.04 4.05 -0.62 0.57 114.93 118.76 1hgb h MET 32 Ca 0.48 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.95 1hgb h MET 32 Cb 0.74 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.52 1hgb h MET 32 CO -0.24 0.20 0.51 0.74 0.23 0.00 0.00 176.91 178.36 1hgb h PHE 33 N -0.44 0.95 0.04 1.39 0.04 -0.18 0.52 116.94 119.26 1hgb h PHE 33 Ca -0.01 0.03 -0.28 0.00 2.80 0.00 0.00 57.97 60.51 1hgb h PHE 33 Cb 0.37 -0.31 0.02 0.00 2.20 0.00 0.00 35.95 38.23 1hgb h PHE 33 CO 0.03 0.52 -1.10 -0.07 -0.60 0.00 0.00 178.31 177.09 1hgb h LEU 34 N 0.97 0.91 0.05 1.54 3.38 -1.29 -3.11 115.31 117.76 1hgb h LEU 34 Ca 0.34 -0.76 -0.25 0.00 0.09 0.00 0.00 57.88 57.30 1hgb h LEU 34 Cb 0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1hgb h LEU 34 CO -0.14 1.56 -1.19 0.28 0.09 0.00 0.00 178.44 179.04 1hgb h SER 35 N 0.36 0.16 -2.13 -0.43 0.02 -0.74 -3.39 113.55 107.39 1hgb h SER 35 Ca -0.15 -0.19 -0.59 0.00 -0.84 0.00 0.00 61.79 60.03 1hgb h SER 35 Cb 1.76 -0.05 -0.41 0.00 0.14 0.00 0.00 62.40 63.84 1hgb h SER 35 CO 0.21 1.15 -0.77 0.49 -1.14 0.00 0.00 176.83 176.78 1hgb n PHE 36 N -3.38 2.28 -0.36 3.45 3.72 0.18 -4.97 117.46 118.38 1hgb n PHE 36 Ca -0.06 -3.96 0.30 0.00 -0.05 0.00 0.00 57.45 53.69 1hgb n PHE 36 Cb 0.99 -0.49 0.61 0.00 -0.94 0.00 0.00 39.48 39.65 1hgb n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1hgb h PRO 37 N 4.13 0.21 -0.92 -1.08 0.13 -1.69 0.03 132.00 132.80 1hgb h PRO 37 Ca 0.16 -0.01 0.22 0.00 -0.87 0.00 0.00 66.00 65.50 1hgb h PRO 37 Cb 0.74 -0.05 -0.06 0.00 0.13 0.00 0.00 31.00 31.75 1hgb h PRO 37 CO 0.71 0.14 0.62 1.79 -0.23 0.00 0.00 178.00 181.03 1hgb h THR 38 N 0.22 0.63 0.00 1.56 1.35 -1.90 0.21 112.91 114.98 1hgb h THR 38 Ca 0.65 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 66.39 1hgb h THR 38 Cb 1.99 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1hgb h THR 38 CO -0.24 0.06 0.00 0.71 -0.25 0.00 0.00 175.52 175.80 1hgb h THR 39 N 0.32 0.00 0.00 6.82 1.35 -1.30 -1.90 112.91 118.20 1hgb h THR 39 Ca 0.48 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 66.16 1hgb h THR 39 Cb 1.33 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1hgb h THR 39 CO -0.16 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.22 1hgb h LYS 40 N 0.00 0.00 -0.78 4.72 1.57 -1.11 -3.17 116.57 117.80 1hgb h LYS 40 Ca 0.00 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.95 1hgb h LYS 40 Cb 0.20 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 1hgb h LYS 40 CO 0.00 0.00 0.53 1.79 -0.57 0.00 0.00 179.45 181.20 1hgb h THR 41 N 0.00 0.74 0.00 -0.16 1.35 -1.51 -1.51 112.91 111.82 1hgb h THR 41 Ca 0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1hgb h THR 41 Cb 0.59 0.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 1hgb h THR 41 CO 0.00 0.06 -0.04 -1.22 -0.25 0.00 0.00 175.52 174.07 1hgb n TYR 42 N -4.46 0.69 -2.40 4.73 4.01 -1.20 -4.08 117.16 114.44 1hgb n TYR 42 Ca 0.15 0.20 -0.23 0.00 -0.16 0.00 0.00 57.90 57.87 1hgb n TYR 42 Cb 0.61 -0.82 0.01 0.00 -0.31 0.00 0.00 39.34 38.84 1hgb n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1hgb n PHE 43 N -2.07 2.89 0.30 -0.72 3.01 -0.57 -4.85 117.46 115.45 1hgb n PHE 43 Ca 0.06 -2.81 0.18 0.00 1.01 0.00 0.00 57.45 55.89 1hgb n PHE 43 Cb 0.41 -0.19 0.88 0.00 -0.01 0.00 0.00 39.48 40.58 1hgb n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1hgb h PRO 44 N 2.53 0.00 -0.16 -1.08 0.13 -1.70 -2.79 132.00 128.93 1hgb h PRO 44 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 1hgb h PRO 44 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1hgb h PRO 44 CO 0.76 0.03 0.00 -2.39 -0.23 0.00 0.00 178.00 176.17 1hgb n HIS 45 N -3.22 0.19 -4.01 1.56 1.44 -1.26 -4.97 115.22 104.96 1hgb n HIS 45 Ca -0.01 -0.10 -0.21 0.00 -2.01 0.00 0.00 57.72 55.39 1hgb n HIS 45 Cb 0.21 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.28 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 -1.81 3.14 -0.21 -1.40 0.40 -1.05 -5.09 117.98 111.95 1hgb s PHE 46 Ca 0.34 -0.13 -0.20 0.00 -0.60 0.00 0.00 56.93 56.34 1hgb s PHE 46 Cb 0.20 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 42.18 1hgb s PHE 46 CO 0.30 0.42 0.62 0.34 0.70 0.00 0.00 175.22 177.61 1hgb s ASP 47 N -3.91 6.65 -0.00 1.36 2.15 -1.26 -4.93 116.67 116.72 1hgb s ASP 47 Ca 0.35 0.79 0.10 0.00 0.43 0.00 0.00 52.55 54.22 1hgb s ASP 47 Cb -0.08 -2.34 0.29 0.00 -0.30 0.00 0.00 42.92 40.49 1hgb s ASP 47 CO 0.26 -0.29 1.24 0.18 -0.17 0.00 0.00 175.17 176.39 1hgb n LEU 48 N 5.21 2.87 -4.78 -1.34 4.77 -1.26 -4.44 117.00 118.03 1hgb n LEU 48 Ca -0.01 -2.00 -0.33 0.00 -0.03 0.00 0.00 56.01 53.64 1hgb n LEU 48 Cb 0.50 -0.22 0.04 0.00 -2.33 0.00 0.00 43.42 41.41 1hgb n LEU 48 CO 0.43 0.72 0.73 -0.94 -1.33 0.00 0.00 177.39 177.01 1hgb s SER 49 N -1.00 5.25 0.20 -1.43 1.04 -1.26 -4.88 113.70 111.61 1hgb s SER 49 Ca 0.22 1.94 -0.32 0.00 0.48 0.00 0.00 55.95 58.26 1hgb s SER 49 Cb 0.11 -2.54 -0.14 0.00 0.10 0.00 0.00 66.02 63.55 1hgb s SER 49 CO 0.15 -1.53 1.37 1.57 0.98 0.00 0.00 173.24 175.77 1hgb n HIS 50 N -2.39 1.91 0.00 5.02 -0.00 -1.26 0.18 115.22 118.69 1hgb n HIS 50 Ca 0.10 0.48 0.00 0.00 0.46 0.00 0.00 57.72 58.76 1hgb n HIS 50 Cb 0.52 -2.42 0.00 0.00 -0.12 0.00 0.00 29.99 27.97 1hgb n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1hgb n GLY 51 N 2.34 2.27 3.44 1.57 0.00 -1.26 -4.98 105.19 108.58 1hgb n GLY 51 Ca 0.14 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.57 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 0.08 0.18 1.61 2.88 0.13 -4.77 113.62 113.73 1hgb n SER 52 Ca 0.00 1.14 0.06 0.00 -1.33 0.00 0.00 58.87 58.74 1hgb n SER 52 Cb 0.00 -0.90 0.27 0.00 -0.75 0.00 0.00 64.21 62.83 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 3.09 0.90 -0.37 -1.46 0.00 -1.88 -2.14 119.26 117.40 1hgb h ALA 53 Ca -0.49 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 53.94 1hgb h ALA 53 Cb 1.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1hgb h ALA 53 CO 0.66 0.46 -0.33 1.96 0.00 0.00 0.00 179.25 182.00 1hgb h GLN 54 N 0.00 0.82 -0.13 0.00 4.20 -1.86 -1.11 115.11 117.04 1hgb h GLN 54 Ca -0.00 -0.39 -0.18 0.00 0.06 0.00 0.00 58.65 58.13 1hgb h GLN 54 Cb 1.01 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.78 1hgb h GLN 54 CO 0.05 1.03 -0.66 0.28 -0.67 0.00 0.00 178.83 178.86 1hgb h VAL 55 N 0.69 1.34 -0.24 -0.54 2.07 -1.74 -1.89 116.25 115.94 1hgb h VAL 55 Ca 0.07 -1.98 -0.04 0.00 0.82 0.00 0.00 66.70 65.57 1hgb h VAL 55 Cb 0.88 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1hgb h VAL 55 CO 0.08 0.61 0.00 0.11 0.02 0.00 0.00 177.57 178.39 1hgb h LYS 56 N 0.36 0.42 0.52 1.57 1.57 -1.27 -1.29 116.57 118.45 1hgb h LYS 56 Ca -0.02 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1hgb h LYS 56 Cb 1.22 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1hgb h LYS 56 CO 0.12 0.60 -0.41 0.78 -0.57 0.00 0.00 179.45 179.96 1hgb h GLY 57 N 0.20 -1.05 1.09 3.86 0.00 -1.17 -1.82 103.07 104.18 1hgb h GLY 57 Ca 0.07 0.47 0.07 0.00 0.00 0.00 0.00 47.33 47.94 1hgb h GLY 57 CO 0.01 -0.35 0.44 0.84 0.00 0.00 0.00 176.54 177.47 1hgb h HIS 58 N -0.92 0.66 -0.13 5.60 -0.00 -1.38 -1.75 115.15 117.23 1hgb h HIS 58 Ca -0.06 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.35 1hgb h HIS 58 Cb 0.78 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.95 1hgb h HIS 58 CO -0.17 0.35 -0.01 0.78 -0.00 0.00 0.00 177.93 178.87 1hgb h GLY 59 N 0.65 0.11 0.40 5.26 0.00 -0.70 0.91 103.07 109.70 1hgb h GLY 59 Ca 0.29 0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.67 1hgb h GLY 59 CO -0.09 -0.03 -0.25 1.70 0.00 0.00 0.00 176.54 177.87 1hgb h LYS 60 N 0.03 -0.36 -0.73 4.80 3.64 -0.51 0.43 116.57 123.87 1hgb h LYS 60 Ca 0.06 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.61 1hgb h LYS 60 Cb 0.08 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 31.89 1hgb h LYS 60 CO -0.11 -0.24 0.26 0.87 -2.27 0.00 0.00 179.45 177.95 1hgb h LYS 61 N -0.38 0.38 0.06 1.90 1.57 -0.93 0.84 116.57 120.01 1hgb h LYS 61 Ca 0.07 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1hgb h LYS 61 Cb 0.47 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1hgb h LYS 61 CO -0.24 0.25 -0.03 0.28 -0.57 0.00 0.00 179.45 179.14 1hgb h VAL 62 N 0.39 1.10 -0.29 0.50 2.07 -0.34 -2.71 116.25 116.96 1hgb h VAL 62 Ca 0.40 -0.54 0.06 0.00 0.82 0.00 0.00 66.70 67.44 1hgb h VAL 62 Cb 0.63 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 1hgb h VAL 62 CO -0.42 0.14 -0.06 0.00 0.02 0.00 0.00 177.57 177.24 1hgb h ALA 63 N 0.59 0.21 -0.76 1.67 0.00 0.54 -1.11 119.26 120.40 1hgb h ALA 63 Ca -0.01 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1hgb h ALA 63 Cb 0.29 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1hgb h ALA 63 CO 0.01 -0.46 0.50 -0.44 0.00 0.00 0.00 179.25 178.87 1hgb h ASP 64 N 0.01 0.59 0.38 0.00 3.32 0.62 0.02 116.42 121.36 1hgb h ASP 64 Ca 0.14 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 1hgb h ASP 64 Cb 0.21 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1hgb h ASP 64 CO -0.29 0.34 -0.50 0.00 -1.72 0.00 0.00 179.24 177.08 1hgb h ALA 65 N 1.62 1.07 -0.02 3.45 0.00 -0.89 -1.90 119.26 122.60 1hgb h ALA 65 Ca 0.36 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1hgb h ALA 65 Cb 0.51 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1hgb h ALA 65 CO -0.13 0.64 -0.62 -0.07 0.00 0.00 0.00 179.25 179.07 1hgb h LEU 66 N 0.11 0.59 -0.08 0.00 3.38 -0.46 -0.46 115.31 118.38 1hgb h LEU 66 Ca 0.00 -0.73 0.03 0.00 0.09 0.00 0.00 57.88 57.27 1hgb h LEU 66 Cb 0.92 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1hgb h LEU 66 CO 0.07 1.24 -0.07 0.74 0.09 0.00 0.00 178.44 180.51 1hgb h THR 67 N -0.00 0.78 -0.91 0.22 2.02 -1.03 0.15 112.91 114.14 1hgb h THR 67 Ca -0.07 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1hgb h THR 67 Cb 1.31 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 68.46 1hgb h THR 67 CO 0.12 0.00 0.60 -1.13 0.37 0.00 0.00 175.52 175.48 1hgb h ASN 68 N -0.09 1.03 -0.31 4.18 -1.24 -1.34 0.64 115.58 118.45 1hgb h ASN 68 Ca 0.06 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.01 1hgb h ASN 68 Cb 0.18 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 1hgb h ASN 68 CO -0.14 0.74 0.08 0.00 -1.29 0.00 0.00 177.43 176.82 1hgb h ALA 69 N 1.34 1.42 -0.02 1.57 0.00 -0.37 -2.43 119.26 120.77 1hgb h ALA 69 Ca 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1hgb h ALA 69 Cb -0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1hgb h ALA 69 CO -0.08 0.42 -0.01 0.28 0.00 0.00 0.00 179.25 179.85 1hgb h VAL 70 N 0.56 1.36 -0.81 0.00 2.07 0.62 -1.77 116.25 118.29 1hgb h VAL 70 Ca 0.13 -1.10 0.10 0.00 0.82 0.00 0.00 66.70 66.65 1hgb h VAL 70 Cb 0.24 2.07 -0.06 0.00 -1.52 0.00 0.00 31.29 32.01 1hgb h VAL 70 CO -0.00 0.29 0.53 0.00 0.02 0.00 0.00 177.57 178.40 1hgb h ALA 71 N 0.55 1.77 -0.45 1.67 0.00 -0.76 -2.35 119.26 119.69 1hgb h ALA 71 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1hgb h ALA 71 Cb 0.48 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 1hgb h ALA 71 CO 0.00 0.06 0.08 0.72 0.00 0.00 0.00 179.25 180.11 1hgb n HIS 72 N -4.51 1.48 -0.42 0.00 8.25 -0.93 -4.80 115.22 114.30 1hgb n HIS 72 Ca 0.14 -1.26 0.33 0.00 -0.26 0.00 0.00 57.72 56.67 1hgb n HIS 72 Cb 0.34 -0.50 0.53 0.00 1.12 0.00 0.00 29.99 31.48 1hgb n HIS 72 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1hgb n VAL 73 N -0.68 -0.11 1.50 1.59 3.14 -0.67 0.25 118.33 123.35 1hgb n VAL 73 Ca 0.32 1.21 0.13 0.00 -2.96 0.00 0.00 64.34 63.04 1hgb n VAL 73 Cb 1.11 -2.00 0.53 0.00 -1.06 0.00 0.00 33.84 32.42 1hgb n VAL 73 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1hgb n ASP 74 N -3.82 1.30 -2.70 6.55 8.00 -1.26 -4.12 116.55 120.50 1hgb n ASP 74 Ca 0.31 -1.50 -0.04 0.00 0.71 0.00 0.00 54.79 54.26 1hgb n ASP 74 Cb 1.27 -0.03 0.11 0.00 -0.02 0.00 0.00 41.12 42.45 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 0.03 -1.09 -0.30 -2.24 2.03 0.68 -4.97 116.55 110.70 1hgb n ASP 75 Ca 0.18 -2.30 0.14 0.00 0.52 0.00 0.00 54.79 53.33 1hgb n ASP 75 Cb 0.30 0.59 0.39 0.00 -0.72 0.00 0.00 41.12 41.68 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 1.62 0.63 -0.45 -0.67 2.86 -1.59 -0.75 114.93 116.58 1hgb h MET 76 Ca -0.34 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.33 1hgb h MET 76 Cb 1.29 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 32.75 1hgb h MET 76 CO -0.07 0.42 0.10 -1.35 1.06 0.00 0.00 176.91 177.07 1hgb h PRO 77 N 0.65 0.23 -0.15 -0.22 0.11 -1.93 0.48 132.00 131.16 1hgb h PRO 77 Ca 0.51 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.52 1hgb h PRO 77 Cb 0.93 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1hgb h PRO 77 CO -0.27 0.15 -0.24 -0.91 -0.21 0.00 0.00 178.00 176.52 1hgb h ASN 78 N 0.23 0.47 -0.86 -2.05 4.21 -1.58 0.45 115.58 116.45 1hgb h ASN 78 Ca 0.22 -0.53 0.01 0.00 1.21 0.00 0.00 56.30 57.20 1hgb h ASN 78 Cb 0.27 -0.13 -0.04 0.00 -1.12 0.00 0.00 38.32 37.30 1hgb h ASN 78 CO -0.28 0.91 0.56 0.00 -1.29 0.00 0.00 177.43 177.34 1hgb h ALA 79 N 0.57 1.08 -0.01 -0.83 0.00 -0.99 -3.10 119.26 115.98 1hgb h ALA 79 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1hgb h ALA 79 Cb 0.82 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1hgb h ALA 79 CO 0.06 0.50 -0.50 1.28 0.00 0.00 0.00 179.25 180.58 1hgb n LEU 80 N -4.48 1.93 -0.35 0.00 4.77 0.16 -4.60 117.00 114.43 1hgb n LEU 80 Ca 0.09 -0.74 0.02 0.00 -0.03 0.00 0.00 56.01 55.35 1hgb n LEU 80 Cb 0.02 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.19 1hgb n LEU 80 CO 0.36 0.36 0.57 -1.54 -1.33 0.00 0.00 177.39 175.82 1hgb n SER 81 N -0.12 -0.47 0.06 -1.43 3.41 0.16 0.46 113.62 115.68 1hgb n SER 81 Ca 0.09 1.60 0.07 0.00 -0.26 0.00 0.00 58.87 60.36 1hgb n SER 81 Cb 0.45 -0.42 0.50 0.00 -0.26 0.00 0.00 64.21 64.48 1hgb n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hgb h ALA 82 N 1.55 1.85 0.01 7.33 0.00 -1.81 -1.66 119.26 126.53 1hgb h ALA 82 Ca 0.38 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.07 1hgb h ALA 82 Cb 0.61 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1hgb h ALA 82 CO -0.93 0.12 -0.93 -0.07 0.00 0.00 0.00 179.25 177.43 1hgb h LEU 83 N 0.37 0.04 -0.54 0.00 -0.00 -0.32 -3.08 115.31 111.78 1hgb h LEU 83 Ca 0.13 -0.04 0.03 0.00 -0.00 0.00 0.00 57.88 58.01 1hgb h LEU 83 Cb 0.06 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 40.67 1hgb h LEU 83 CO -0.03 0.95 0.30 0.28 -0.00 0.00 0.00 178.44 179.94 1hgb h SER 84 N 0.01 0.47 -0.03 -0.43 0.02 -0.35 -0.70 113.55 112.54 1hgb h SER 84 Ca -0.02 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1hgb h SER 84 Cb 1.64 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 64.09 1hgb h SER 84 CO 0.12 0.33 -0.02 0.44 -1.14 0.00 0.00 176.83 176.57 1hgb h ASP 85 N 0.60 -0.05 -0.45 3.07 3.32 -1.43 -1.08 116.42 120.40 1hgb h ASP 85 Ca 0.22 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.30 1hgb h ASP 85 Cb 0.07 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1hgb h ASP 85 CO -0.12 -0.02 0.28 0.25 -1.72 0.00 0.00 179.24 177.90 1hgb h LEU 86 N -0.01 0.46 -0.13 1.55 5.85 -1.41 0.94 115.31 122.55 1hgb h LEU 86 Ca 0.02 -0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.51 1hgb h LEU 86 Cb 0.04 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1hgb h LEU 86 CO -0.04 0.33 -0.99 0.45 -0.34 0.00 0.00 178.44 177.84 1hgb h HIS 87 N 0.56 0.47 -0.04 1.25 3.86 -1.13 0.14 115.15 120.26 1hgb h HIS 87 Ca 0.18 -0.28 -0.09 0.00 -1.16 0.00 0.00 60.37 59.02 1hgb h HIS 87 Cb -0.01 -0.04 0.01 0.00 1.06 0.00 0.00 27.41 28.42 1hgb h HIS 87 CO -0.06 1.12 -0.32 0.00 0.86 0.00 0.00 177.93 179.53 1hgb h ALA 88 N 0.78 0.09 0.00 2.45 0.00 -0.95 0.84 119.26 122.47 1hgb h ALA 88 Ca -0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1hgb h ALA 88 Cb 1.65 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1hgb h ALA 88 CO 0.16 0.17 -1.85 0.72 0.00 0.00 0.00 179.25 178.45 1hgb n HIS 89 N -4.43 0.19 0.02 0.00 8.25 0.32 -4.47 115.22 115.10 1hgb n HIS 89 Ca -0.09 0.06 -0.01 0.00 -0.26 0.00 0.00 57.72 57.41 1hgb n HIS 89 Cb 0.52 -0.64 -0.00 0.00 1.12 0.00 0.00 29.99 30.98 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 -2.39 0.06 -0.10 -0.41 4.76 -0.79 -4.83 118.16 114.45 1hgb n LYS 90 Ca -0.06 0.02 -0.11 0.00 -2.87 0.00 0.00 58.31 55.29 1hgb n LYS 90 Cb 0.63 -0.60 -0.03 0.00 -1.84 0.00 0.00 35.03 33.19 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 -0.10 0.60 -1.70 -0.35 3.38 -0.81 -3.47 115.31 112.85 1hgb h LEU 91 Ca -0.02 -0.37 -0.44 0.00 0.09 0.00 0.00 57.88 57.15 1hgb h LEU 91 Cb 0.36 -0.16 0.03 0.00 0.09 0.00 0.00 40.66 40.97 1hgb h LEU 91 CO -0.01 0.82 -0.83 0.54 0.09 0.00 0.00 178.44 179.05 1hgb n ARG 92 N -4.47 -4.77 -2.50 1.13 1.74 0.29 -4.90 116.66 103.18 1hgb n ARG 92 Ca -0.03 0.59 -0.42 0.00 -0.77 0.00 0.00 57.85 57.21 1hgb n ARG 92 Cb 0.32 -5.13 -0.03 0.00 -1.02 0.00 0.00 32.46 26.61 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 -3.66 4.36 0.14 1.55 1.01 -1.22 -4.96 120.40 117.63 1hgb s VAL 93 Ca 0.09 1.67 -0.34 0.00 0.00 0.00 0.00 61.98 63.40 1hgb s VAL 93 Cb -0.04 -4.08 -0.14 0.00 0.00 0.00 0.00 36.38 32.12 1hgb s VAL 93 CO 0.82 -0.02 1.58 -0.67 0.00 0.00 0.00 175.10 176.81 1hgb n ASP 94 N 5.34 3.02 -0.23 3.32 2.03 -1.26 -4.79 116.55 123.98 1hgb n ASP 94 Ca 0.11 1.08 0.31 0.00 0.52 0.00 0.00 54.79 56.81 1hgb n ASP 94 Cb 0.46 -1.41 0.63 0.00 -0.72 0.00 0.00 41.12 40.09 1hgb n ASP 94 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1hgb h PRO 95 N 5.99 0.00 -0.93 -0.67 0.11 -1.99 -1.92 132.00 132.59 1hgb h PRO 95 Ca -0.45 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.67 1hgb h PRO 95 Cb 1.26 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 1hgb h PRO 95 CO 0.88 0.00 0.62 -0.24 -0.21 0.00 0.00 178.00 179.05 1hgb h VAL 96 N 0.00 1.24 0.00 3.15 3.04 -2.04 -2.77 116.25 118.87 1hgb h VAL 96 Ca 0.50 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 65.75 1hgb h VAL 96 Cb 2.47 -0.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 1hgb h VAL 96 CO -0.01 0.23 0.00 0.78 -1.01 0.00 0.00 177.57 177.57 1hgb h ASN 97 N 1.26 0.00 -0.06 3.17 4.21 -1.71 -2.66 115.58 119.80 1hgb h ASN 97 Ca 0.34 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.70 1hgb h ASN 97 Cb -0.14 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.05 1hgb h ASN 97 CO -0.08 0.00 -0.49 -0.26 -1.29 0.00 0.00 177.43 175.32 1hgb h PHE 98 N 0.00 0.77 0.00 1.19 -1.00 -1.67 -2.48 116.94 113.75 1hgb h PHE 98 Ca 0.00 -0.25 -0.05 0.00 2.81 0.00 0.00 57.97 60.48 1hgb h PHE 98 Cb 0.10 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 1hgb h PHE 98 CO 0.00 0.99 -0.22 0.87 -1.61 0.00 0.00 178.31 178.34 1hgb h LYS 99 N 0.49 0.00 0.06 1.51 6.56 -1.65 -2.15 116.57 121.39 1hgb h LYS 99 Ca 0.02 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1hgb h LYS 99 Cb 1.03 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.69 1hgb h LYS 99 CO 0.10 0.22 -0.03 -0.07 -2.06 0.00 0.00 179.45 177.61 1hgb h LEU 100 N 0.00 -0.06 -1.19 2.94 3.38 -1.52 -3.11 115.31 115.75 1hgb h LEU 100 Ca -0.00 -0.58 -0.06 0.00 0.09 0.00 0.00 57.88 57.33 1hgb h LEU 100 Cb 0.47 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1hgb h LEU 100 CO 0.03 0.61 -0.09 0.25 0.09 0.00 0.00 178.44 179.32 1hgb h LEU 101 N -0.81 0.43 -1.18 1.67 5.85 -1.40 -1.99 115.31 117.88 1hgb h LEU 101 Ca -0.01 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 1hgb h LEU 101 Cb 0.64 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1hgb h LEU 101 CO 0.01 0.57 0.05 0.28 -0.34 0.00 0.00 178.44 179.01 1hgb h SER 102 N 0.42 0.58 -0.07 1.25 0.02 -1.47 0.31 113.55 114.59 1hgb h SER 102 Ca 0.08 -0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 1hgb h SER 102 Cb 0.43 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.82 1hgb h SER 102 CO 0.02 0.61 -0.37 -0.74 -1.14 0.00 0.00 176.83 175.22 1hgb h HIS 103 N 0.60 0.50 -0.71 3.45 -0.00 -1.42 -1.23 115.15 116.34 1hgb h HIS 103 Ca 0.13 -0.23 -0.05 0.00 -0.00 0.00 0.00 60.37 60.22 1hgb h HIS 103 Cb 0.30 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.60 1hgb h HIS 103 CO 0.01 0.98 0.24 0.00 -0.00 0.00 0.00 177.93 179.16 1hgb h LEU 105 N 1.05 0.97 -0.42 0.00 5.85 -0.36 -2.21 115.31 120.20 1hgb h LEU 105 Ca 0.23 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1hgb h LEU 105 Cb 0.27 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1hgb h LEU 105 CO -0.01 1.12 0.08 0.25 -0.34 0.00 0.00 178.44 179.54 1hgb h LEU 106 N 0.81 0.66 0.28 2.25 5.85 -0.89 -2.12 115.31 122.15 1hgb h LEU 106 Ca 0.12 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1hgb h LEU 106 Cb 0.72 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1hgb h LEU 106 CO 0.05 0.74 -0.14 0.58 -0.34 0.00 0.00 178.44 179.34 1hgb h VAL 107 N 0.55 0.73 -0.59 1.05 2.07 -1.05 -2.09 116.25 116.92 1hgb h VAL 107 Ca 0.13 -0.08 0.12 0.00 0.82 0.00 0.00 66.70 67.69 1hgb h VAL 107 Cb 0.36 0.78 -0.10 0.00 -1.52 0.00 0.00 31.29 30.81 1hgb h VAL 107 CO 0.01 0.02 -0.03 0.74 0.02 0.00 0.00 177.57 178.32 1hgb h THR 108 N -0.42 0.49 -0.48 2.57 2.02 -1.33 -1.52 112.91 114.24 1hgb h THR 108 Ca -0.04 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1hgb h THR 108 Cb 0.32 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1hgb h THR 108 CO 0.06 0.02 0.25 -0.07 0.37 0.00 0.00 175.52 176.15 1hgb h LEU 109 N 0.09 0.61 -1.67 2.58 3.38 -1.19 -2.65 115.31 116.46 1hgb h LEU 109 Ca 0.30 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1hgb h LEU 109 Cb 0.49 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1hgb h LEU 109 CO -0.53 0.55 -0.00 0.00 0.09 0.00 0.00 178.44 178.54 1hgb h ALA 110 N 1.09 1.74 0.00 1.53 0.00 -0.66 -0.33 119.26 122.63 1hgb h ALA 110 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1hgb h ALA 110 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1hgb h ALA 110 CO -0.02 0.20 -0.13 0.00 0.00 0.00 0.00 179.25 179.30 1hgb n ALA 111 N -2.51 2.49 0.07 0.00 0.00 -0.64 -3.83 120.51 116.08 1hgb n ALA 111 Ca -0.01 -0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.33 1hgb n ALA 111 Cb 0.16 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.21 1hgb n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hgb n HIS 112 N -1.94 0.00 -3.18 0.00 8.25 -0.80 -4.80 115.22 112.75 1hgb n HIS 112 Ca 0.06 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.32 1hgb n HIS 112 Cb 0.40 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.46 1hgb n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1hgb n LEU 113 N -0.44 0.90 0.00 2.41 4.77 -0.20 -4.99 117.00 119.46 1hgb n LEU 113 Ca 0.01 -4.97 0.00 0.00 -0.03 0.00 0.00 56.01 51.01 1hgb n LEU 113 Cb 0.03 0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1hgb n LEU 113 CO 0.02 2.23 0.45 -0.81 -1.33 0.00 0.00 177.39 177.95 1hgb n PRO 114 N 0.54 0.00 -0.28 3.23 -0.04 -1.25 0.57 135.00 137.77 1hgb n PRO 114 Ca 0.24 0.75 -0.11 0.00 -0.04 0.00 0.00 63.50 64.35 1hgb n PRO 114 Cb 0.61 -1.40 -0.08 0.00 -0.04 0.00 0.00 33.50 32.58 1hgb n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hgb h ALA 115 N -1.43 -0.57 0.00 0.55 0.00 -1.94 -2.40 119.26 113.46 1hgb h ALA 115 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1hgb h ALA 115 Cb 0.00 1.21 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1hgb h ALA 115 CO 0.00 -0.96 0.00 1.05 0.00 0.00 0.00 179.25 179.34 1hgb h GLU 116 N -0.19 0.00 -4.10 0.00 9.09 -1.92 -3.38 114.58 114.08 1hgb h GLU 116 Ca 0.14 0.00 -0.70 0.00 0.05 0.00 0.00 59.36 58.85 1hgb h GLU 116 Cb 0.51 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.59 1hgb h GLU 116 CO -0.78 0.00 2.97 0.34 0.05 0.00 0.00 179.01 181.60 1hgb n PHE 117 N -3.01 3.23 -2.83 2.06 7.35 0.19 -4.72 117.46 119.73 1hgb n PHE 117 Ca 0.02 -2.75 -0.28 0.00 -0.76 0.00 0.00 57.45 53.68 1hgb n PHE 117 Cb 0.39 -2.40 -0.01 0.00 0.35 0.00 0.00 39.48 37.82 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 3.56 4.92 0.25 -2.13 2.01 -1.26 -4.78 115.64 118.21 1hgb s THR 118 Ca 0.49 0.19 -0.04 0.00 0.31 0.00 0.00 61.69 62.65 1hgb s THR 118 Cb 0.14 -3.83 0.25 0.00 0.01 0.00 0.00 72.50 69.08 1hgb s THR 118 CO -0.05 -0.70 1.68 -0.65 -0.69 0.00 0.00 174.62 174.21 1hgb h PRO 119 N 0.64 0.24 -0.23 4.92 0.11 -1.97 1.62 132.00 137.33 1hgb h PRO 119 Ca -0.47 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1hgb h PRO 119 Cb 1.20 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1hgb h PRO 119 CO 0.62 0.16 -0.36 0.00 -0.21 0.00 0.00 178.00 178.22 1hgb h ALA 120 N 1.65 0.95 0.00 -0.75 0.00 -1.95 -1.59 119.26 117.57 1hgb h ALA 120 Ca 0.44 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1hgb h ALA 120 Cb 0.78 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1hgb h ALA 120 CO -0.54 0.62 -0.00 0.28 0.00 0.00 0.00 179.25 179.60 1hgb h VAL 121 N 0.42 1.57 -0.95 0.00 2.07 -0.52 -2.55 116.25 116.31 1hgb h VAL 121 Ca 0.04 -1.72 0.11 0.00 0.82 0.00 0.00 66.70 65.95 1hgb h VAL 121 Cb 0.83 2.74 -0.13 0.00 -1.52 0.00 0.00 31.29 33.21 1hgb h VAL 121 CO 0.07 0.44 -0.53 -0.74 0.02 0.00 0.00 177.57 176.84 1hgb h HIS 122 N -0.74 -1.64 -0.56 1.57 6.17 0.21 0.33 115.15 120.50 1hgb h HIS 122 Ca -0.00 0.12 0.00 0.00 0.71 0.00 0.00 60.37 61.20 1hgb h HIS 122 Cb 0.73 0.84 -0.03 0.00 2.52 0.00 0.00 27.41 31.48 1hgb h HIS 122 CO 0.18 -0.39 0.36 0.00 0.71 0.00 0.00 177.93 178.79 1hgb h ALA 123 N 0.72 1.58 0.03 5.26 0.00 -1.35 -1.85 119.26 123.65 1hgb h ALA 123 Ca 0.21 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.82 1hgb h ALA 123 Cb 0.48 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1hgb h ALA 123 CO -0.92 0.38 -1.03 0.77 0.00 0.00 0.00 179.25 178.45 1hgb h SER 124 N 0.76 0.60 -0.44 0.00 0.02 -0.43 -3.01 113.55 111.04 1hgb h SER 124 Ca 0.20 -0.51 -0.14 0.00 -0.84 0.00 0.00 61.79 60.50 1hgb h SER 124 Cb -0.07 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1hgb h SER 124 CO -0.04 1.32 -0.29 -0.07 -1.14 0.00 0.00 176.83 176.61 1hgb h LEU 125 N 0.23 1.02 0.10 5.07 3.38 -0.22 -1.49 115.31 123.40 1hgb h LEU 125 Ca -0.10 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1hgb h LEU 125 Cb 1.68 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1hgb h LEU 125 CO 0.18 1.22 -0.08 -0.78 0.09 0.00 0.00 178.44 179.07 1hgb h ASP 126 N 0.82 -0.20 -0.94 -0.43 3.58 -1.42 0.25 116.42 118.08 1hgb h ASP 126 Ca 0.09 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 1hgb h ASP 126 Cb 0.88 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.95 1hgb h ASP 126 CO 0.08 -0.13 0.57 0.11 -2.88 0.00 0.00 179.24 177.00 1hgb h LYS 127 N -0.19 1.27 -0.32 0.28 1.57 -1.50 0.23 116.57 117.91 1hgb h LYS 127 Ca -0.00 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.54 1hgb h LYS 127 Cb 0.17 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1hgb h LYS 127 CO -0.01 0.88 -0.30 0.35 -0.57 0.00 0.00 179.45 179.80 1hgb h PHE 128 N 1.29 0.93 -0.46 -1.35 3.57 -0.87 -2.03 116.94 118.02 1hgb h PHE 128 Ca 0.34 -0.27 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 1hgb h PHE 128 Cb -0.07 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 1hgb h PHE 128 CO 0.00 1.04 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.90 1hgb h LEU 129 N 0.55 0.88 -1.34 0.59 3.38 -0.24 -1.50 115.31 117.63 1hgb h LEU 129 Ca 0.05 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 1hgb h LEU 129 Cb 0.88 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1hgb h LEU 129 CO 0.08 1.03 -0.33 0.00 0.09 0.00 0.00 178.44 179.31 1hgb h ALA 130 N 1.04 1.37 0.00 1.53 0.00 -0.92 0.10 119.26 122.38 1hgb h ALA 130 Ca 0.12 -0.30 -0.25 0.00 0.00 0.00 0.00 54.91 54.48 1hgb h ALA 130 Cb 0.68 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.44 1hgb h ALA 130 CO 0.05 0.41 -0.97 0.66 0.00 0.00 0.00 179.25 179.40 1hgb h SER 131 N 0.00 0.85 -0.04 0.00 4.64 -0.97 -1.62 113.55 116.41 1hgb h SER 131 Ca -0.00 -0.74 -0.00 0.00 -0.47 0.00 0.00 61.79 60.57 1hgb h SER 131 Cb 0.61 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1hgb h SER 131 CO 0.04 1.48 0.02 0.58 -0.87 0.00 0.00 176.83 178.08 1hgb h VAL 132 N 0.30 1.08 -0.41 0.95 2.07 -0.97 -1.26 116.25 118.02 1hgb h VAL 132 Ca -0.12 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.25 1hgb h VAL 132 Cb 1.63 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 32.49 1hgb h VAL 132 CO 0.19 0.06 -0.07 0.28 0.02 0.00 0.00 177.57 178.05 1hgb h SER 133 N -0.03 -0.32 -0.97 0.57 0.02 -0.81 -1.60 113.55 110.42 1hgb h SER 133 Ca 0.01 0.12 0.09 0.00 -0.84 0.00 0.00 61.79 61.17 1hgb h SER 133 Cb 0.09 0.23 -0.07 0.00 0.14 0.00 0.00 62.40 62.78 1hgb h SER 133 CO -0.00 -0.11 0.62 0.74 -1.14 0.00 0.00 176.83 176.94 1hgb h THR 134 N 0.03 1.00 -0.07 -2.27 2.02 -0.98 -1.84 112.91 110.80 1hgb h THR 134 Ca 0.20 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 1hgb h THR 134 Cb 0.30 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1hgb h THR 134 CO -0.40 0.19 -0.08 0.58 0.37 0.00 0.00 175.52 176.18 1hgb h VAL 135 N 1.03 1.37 0.00 3.16 2.07 -0.44 -2.44 116.25 121.01 1hgb h VAL 135 Ca 0.45 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1hgb h VAL 135 Cb 0.34 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1hgb h VAL 135 CO -0.20 0.35 -0.06 -0.07 0.02 0.00 0.00 177.57 177.60 1hgb h LEU 136 N -0.26 0.00 -2.45 2.57 3.38 -1.05 -2.71 115.31 114.80 1hgb h LEU 136 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1hgb h LEU 136 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1hgb h LEU 136 CO 0.02 0.06 0.00 0.35 0.09 0.00 0.00 178.44 178.96 1hgb n THR 137 N -3.41 0.70 0.19 0.22 -2.24 -0.72 -4.37 114.28 104.66 1hgb n THR 137 Ca -0.02 -0.85 0.03 0.00 -2.27 0.00 0.00 64.05 60.95 1hgb n THR 137 Cb 0.20 0.71 0.36 0.00 -2.10 0.00 0.00 70.33 69.50 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 1.86 0.00 -0.55 3.42 4.64 -1.09 -3.20 113.55 118.63 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 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1hgb h SER 138 CO 0.00 0.39 0.00 0.29 -0.87 0.00 0.00 176.83 176.64 1hgb n LYS 139 N -3.89 2.79 -0.18 4.77 5.02 -1.26 -4.56 118.16 120.86 1hgb n LYS 139 Ca -0.01 -2.21 0.00 0.00 -2.02 0.00 0.00 58.31 54.07 1hgb n LYS 139 Cb 0.45 -1.62 0.26 0.00 -0.02 0.00 0.00 35.03 34.10 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 3.36 0.88 0.00 2.13 -1.99 -1.85 -3.45 116.97 116.05 1hgb h TYR 140 Ca 0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1hgb h TYR 140 Cb 1.01 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 39.45 1hgb h TYR 140 CO 0.51 0.58 0.00 2.89 -0.00 0.00 0.00 178.16 182.14