#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hga s LEU 2 N 0.00 4.13 0.55 6.55 1.43 -1.26 -5.05 118.68 125.04 1hga s LEU 2 Ca 0.00 0.99 -0.06 0.00 -1.03 0.00 0.00 54.13 54.03 1hga s LEU 2 Cb 0.00 -3.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.14 1hga s LEU 2 CO 0.00 -0.38 0.87 -0.94 0.23 0.00 0.00 176.35 176.13 1hga s SER 3 N 1.24 5.86 0.33 2.29 1.04 -1.26 -4.85 113.70 118.35 1hga s SER 3 Ca 0.33 0.82 0.11 0.00 0.48 0.00 0.00 55.95 57.69 1hga s SER 3 Cb -0.16 -1.93 0.91 0.00 0.10 0.00 0.00 66.02 64.94 1hga s SER 3 CO 0.10 -0.88 1.74 -0.65 0.98 0.00 0.00 173.24 174.53 1hga h PRO 4 N -0.04 0.55 0.00 4.02 0.11 -1.99 0.24 132.00 134.89 1hga h PRO 4 Ca -0.46 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 1hga h PRO 4 Cb 1.23 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1hga h PRO 4 CO 0.61 0.36 -0.80 0.00 -0.21 0.00 0.00 178.00 177.97 1hga h ALA 5 N 1.70 0.67 0.07 -0.75 0.00 -1.99 -2.42 119.26 116.55 1hga h ALA 5 Ca 0.63 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1hga h ALA 5 Cb 1.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1hga h ALA 5 CO -0.43 1.00 -0.03 -0.44 0.00 0.00 0.00 179.25 179.34 1hga h ASP 6 N 0.00 -0.08 -0.72 0.00 3.32 -0.95 -0.45 116.42 117.54 1hga h ASP 6 Ca -0.01 -0.10 0.03 0.00 0.02 0.00 0.00 57.03 56.98 1hga h ASP 6 Cb 1.42 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.94 1hga h ASP 6 CO 0.10 0.05 0.45 0.11 -1.72 0.00 0.00 179.24 178.23 1hga h LYS 7 N -0.20 0.86 -0.62 3.56 1.57 -1.18 0.17 116.57 120.73 1hga h LYS 7 Ca -0.01 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 1hga h LYS 7 Cb 0.17 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1hga h LYS 7 CO 0.02 0.57 0.01 1.15 -0.57 0.00 0.00 179.45 180.63 1hga h THR 8 N 0.88 1.27 -0.37 -0.16 2.02 -1.35 0.13 112.91 115.33 1hga h THR 8 Ca 0.29 -1.14 -0.16 0.00 0.77 0.00 0.00 66.41 66.17 1hga h THR 8 Cb 0.02 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1hga h THR 8 CO -0.11 0.42 -0.41 0.78 0.37 0.00 0.00 175.52 176.57 1hga h ASN 9 N 0.98 0.99 0.67 4.18 2.35 -0.66 -1.49 115.58 122.61 1hga h ASN 9 Ca 0.18 -0.48 -0.23 0.00 -0.55 0.00 0.00 56.30 55.22 1hga h ASN 9 Cb 0.54 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1hga h ASN 9 CO 0.03 1.27 -1.03 -0.37 -1.65 0.00 0.00 177.43 175.68 1hga h VAL 10 N 0.73 1.54 -0.36 2.81 -1.51 -0.46 -2.10 116.25 116.90 1hga h VAL 10 Ca 0.05 -2.92 -0.06 0.00 -1.23 0.00 0.00 66.70 62.54 1hga h VAL 10 Cb 1.01 2.70 -0.01 0.00 -2.13 0.00 0.00 31.29 32.86 1hga h VAL 10 CO 0.10 0.85 -0.01 0.11 -1.23 0.00 0.00 177.57 177.39 1hga h LYS 11 N 0.08 0.65 0.15 5.19 1.57 -0.72 -1.22 116.57 122.27 1hga h LYS 11 Ca -0.07 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1hga h LYS 11 Cb 1.72 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.98 1hga h LYS 11 CO 0.16 0.76 -0.07 0.00 -0.57 0.00 0.00 179.45 179.73 1hga h ALA 12 N 0.86 -0.21 -0.16 3.86 0.00 -1.31 -1.20 119.26 121.09 1hga h ALA 12 Ca 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1hga h ALA 12 Cb 0.48 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1hga h ALA 12 CO 0.02 -0.51 0.08 0.00 0.00 0.00 0.00 179.25 178.84 1hga h ALA 13 N 0.39 0.21 0.00 0.00 0.00 -1.42 -2.74 119.26 115.70 1hga h ALA 13 Ca -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1hga h ALA 13 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1hga h ALA 13 CO 0.03 -0.23 -0.24 2.35 0.00 0.00 0.00 179.25 181.16 1hga h TRP 14 N 0.14 0.00 -0.58 0.00 2.91 -1.27 -2.70 115.95 114.45 1hga h TRP 14 Ca 0.06 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.02 1hga h TRP 14 Cb 0.11 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.73 1hga h TRP 14 CO -0.03 0.24 0.14 0.78 -1.03 0.00 0.00 178.44 178.55 1hga h GLY 15 N 0.95 0.97 1.70 2.65 0.00 -0.93 -2.22 103.07 106.19 1hga h GLY 15 Ca -0.00 -0.57 -0.16 0.00 0.00 0.00 0.00 47.33 46.60 1hga h GLY 15 CO 0.03 0.53 -0.67 0.50 0.00 0.00 0.00 176.54 176.94 1hga h LYS 16 N 0.86 0.30 -0.24 4.80 1.79 -1.21 -2.83 116.57 120.04 1hga h LYS 16 Ca 0.19 -0.23 0.06 0.00 -2.18 0.00 0.00 60.65 58.49 1hga h LYS 16 Cb 0.31 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 30.95 1hga h LYS 16 CO -0.00 0.86 -0.12 0.28 -1.08 0.00 0.00 179.45 179.39 1hga h VAL 17 N 0.21 0.62 0.00 0.50 2.07 -1.14 -3.43 116.25 115.08 1hga h VAL 17 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1hga h VAL 17 Cb 1.21 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1hga h VAL 17 CO 0.11 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.31 1hga n GLY 18 N -1.29 1.67 0.27 2.17 0.00 -1.06 -1.37 105.19 105.59 1hga n GLY 18 Ca -0.01 0.52 0.10 0.00 0.00 0.00 0.00 46.02 46.63 1hga n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hga h ALA 19 N -0.40 1.90 -0.23 4.61 0.00 -1.87 -3.23 119.26 120.03 1hga h ALA 19 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hga h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1hga h ALA 19 CO 0.00 -0.01 0.00 0.72 0.00 0.00 0.00 179.25 179.96 1hga n HIS 20 N -4.38 0.30 -0.19 0.00 8.25 -0.47 -4.56 115.22 114.18 1hga n HIS 20 Ca -0.03 -0.15 -0.06 0.00 -0.26 0.00 0.00 57.72 57.22 1hga n HIS 20 Cb 0.10 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.15 1hga n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hga h ALA 21 N 4.08 -0.36 -0.34 -1.41 0.00 -1.74 1.24 119.26 120.73 1hga h ALA 21 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1hga h ALA 21 Cb 0.57 1.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.43 1hga h ALA 21 CO 0.00 -0.56 -0.13 0.78 0.00 0.00 0.00 179.25 179.34 1hga h GLY 22 N -0.05 0.17 0.62 0.00 0.00 -1.82 0.76 103.07 102.75 1hga h GLY 22 Ca 0.07 0.17 0.10 0.00 0.00 0.00 0.00 47.33 47.67 1hga h GLY 22 CO -0.46 -0.16 0.62 0.83 0.00 0.00 0.00 176.54 177.38 1hga h GLU 23 N -0.06 1.00 0.02 4.80 3.07 -1.41 -0.59 114.58 121.40 1hga h GLU 23 Ca 0.17 -0.06 -0.27 0.00 -0.50 0.00 0.00 59.36 58.70 1hga h GLU 23 Cb 0.32 -0.22 0.02 0.00 -0.84 0.00 0.00 28.75 28.03 1hga h GLU 23 CO -0.39 0.66 -1.07 1.88 -1.40 0.00 0.00 179.01 178.70 1hga h TYR 24 N 1.03 1.04 -0.43 4.33 0.05 0.32 -2.82 116.97 120.48 1hga h TYR 24 Ca 0.46 -0.58 0.04 0.00 0.05 0.00 0.00 58.73 58.70 1hga h TYR 24 Cb 0.36 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 37.95 1hga h TYR 24 CO -0.00 1.42 0.19 0.78 -1.05 0.00 0.00 178.16 179.50 1hga h GLY 25 N 0.36 0.58 1.02 3.88 0.00 1.00 -0.36 103.07 109.54 1hga h GLY 25 Ca -0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1hga h GLY 25 CO 0.21 0.08 0.42 0.00 0.00 0.00 0.00 176.54 177.25 1hga h ALA 26 N 1.24 1.00 -0.49 3.60 0.00 -1.19 -1.86 119.26 121.56 1hga h ALA 26 Ca 0.19 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1hga h ALA 26 Cb 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1hga h ALA 26 CO -0.15 0.52 0.11 1.49 0.00 0.00 0.00 179.25 181.22 1hga h GLU 27 N 1.08 0.79 -0.53 0.00 4.81 -1.12 -0.74 114.58 118.87 1hga h GLU 27 Ca 0.27 -0.20 0.07 0.00 -0.13 0.00 0.00 59.36 59.37 1hga h GLU 27 Cb 0.05 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.27 1hga h GLU 27 CO -0.04 0.78 0.22 0.00 -0.73 0.00 0.00 179.01 179.23 1hga h ALA 28 N 0.98 0.67 0.40 2.92 0.00 -0.83 0.18 119.26 123.58 1hga h ALA 28 Ca 0.15 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1hga h ALA 28 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1hga h ALA 28 CO 0.00 -0.16 -0.19 -0.07 0.00 0.00 0.00 179.25 178.83 1hga h LEU 29 N 0.42 -0.45 -0.83 0.00 3.38 -1.10 -0.25 115.31 116.48 1hga h LEU 29 Ca 0.25 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.28 1hga h LEU 29 Cb 0.25 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1hga h LEU 29 CO -0.23 -0.31 0.52 -0.08 0.09 0.00 0.00 178.44 178.43 1hga h GLU 30 N -0.54 0.95 -0.74 1.13 4.81 -0.63 0.02 114.58 119.58 1hga h GLU 30 Ca -0.05 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1hga h GLU 30 Cb 0.41 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1hga h GLU 30 CO 0.09 0.63 0.48 0.00 -0.73 0.00 0.00 179.01 179.48 1hga h ARG 31 N 0.98 0.94 0.04 1.92 3.08 -0.37 -2.38 114.38 118.58 1hga h ARG 31 Ca 0.35 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.34 1hga h ARG 31 Cb 0.09 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1hga h ARG 31 CO -0.15 0.62 -0.02 1.98 -1.07 0.00 0.00 179.97 181.33 1hga h MET 32 N 0.97 -0.06 -0.97 0.04 4.05 -0.25 -1.47 114.93 117.24 1hga h MET 32 Ca 0.28 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.78 1hga h MET 32 Cb -0.06 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 30.68 1hga h MET 32 CO -0.08 0.25 0.61 0.74 0.23 0.00 0.00 176.91 178.66 1hga h PHE 33 N -0.37 1.13 -0.06 1.39 0.04 -0.91 0.20 116.94 118.36 1hga h PHE 33 Ca -0.01 0.03 -0.22 0.00 2.80 0.00 0.00 57.97 60.58 1hga h PHE 33 Cb 0.33 -0.37 0.01 0.00 2.20 0.00 0.00 35.95 38.13 1hga h PHE 33 CO 0.03 0.56 -0.81 -0.07 -0.60 0.00 0.00 178.31 177.41 1hga h LEU 34 N 1.09 0.81 0.05 1.54 3.38 -1.45 -3.11 115.31 117.61 1hga h LEU 34 Ca 0.43 -0.70 -0.29 0.00 0.09 0.00 0.00 57.88 57.41 1hga h LEU 34 Cb 0.23 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1hga h LEU 34 CO -0.19 1.39 -1.52 0.28 0.09 0.00 0.00 178.44 178.49 1hga h SER 35 N 0.30 0.17 -2.34 -0.43 0.02 -1.13 -3.39 113.55 106.75 1hga h SER 35 Ca -0.09 -0.27 -0.59 0.00 -0.84 0.00 0.00 61.79 60.00 1hga h SER 35 Cb 1.47 -0.06 -0.41 0.00 0.14 0.00 0.00 62.40 63.55 1hga h SER 35 CO 0.16 1.23 -0.74 0.49 -1.14 0.00 0.00 176.83 176.83 1hga n PHE 36 N -3.29 2.26 -0.19 3.45 3.72 0.68 -4.95 117.46 119.13 1hga n PHE 36 Ca -0.14 -3.98 0.29 0.00 -0.05 0.00 0.00 57.45 53.57 1hga n PHE 36 Cb 1.03 -0.45 0.73 0.00 -0.94 0.00 0.00 39.48 39.84 1hga n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1hga h PRO 37 N 4.51 0.00 -0.01 -1.08 0.11 -1.69 -0.13 132.00 133.71 1hga h PRO 37 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1hga h PRO 37 Cb 0.75 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 1hga h PRO 37 CO 0.69 0.00 0.04 1.79 -0.21 0.00 0.00 178.00 180.30 1hga h THR 38 N 0.00 0.20 0.00 -1.15 1.35 -1.90 -1.34 112.91 110.06 1hga h THR 38 Ca 0.44 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.26 1hga h THR 38 Cb 1.78 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1hga h THR 38 CO -0.00 0.00 -0.16 0.71 -0.25 0.00 0.00 175.52 175.81 1hga h THR 39 N 0.00 0.46 0.00 6.82 1.35 -1.33 -2.84 112.91 117.38 1hga h THR 39 Ca 0.01 -0.87 -0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1hga h THR 39 Cb 0.08 1.61 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1hga h THR 39 CO -0.00 0.16 -0.02 0.11 -0.25 0.00 0.00 175.52 175.52 1hga h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.42 -2.94 116.57 118.50 1hga h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hga h LYS 40 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1hga h LYS 40 CO 0.02 0.02 0.00 1.79 -0.57 0.00 0.00 179.45 180.71 1hga h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.69 -1.89 112.91 110.53 1hga h THR 41 Ca -0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1hga h THR 41 Cb 0.11 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.23 1hga h THR 41 CO 0.00 0.00 -1.11 -1.22 -0.25 0.00 0.00 175.52 172.94 1hga n TYR 42 N -2.47 0.53 -2.77 4.73 4.01 -1.11 -4.44 117.16 115.64 1hga n TYR 42 Ca -0.01 0.15 -0.26 0.00 -0.16 0.00 0.00 57.90 57.62 1hga n TYR 42 Cb 0.08 -0.67 -0.02 0.00 -0.31 0.00 0.00 39.34 38.42 1hga n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1hga n PHE 43 N -2.29 3.66 0.24 -0.72 3.01 -0.71 -4.81 117.46 115.84 1hga n PHE 43 Ca 0.00 -3.64 0.13 0.00 1.01 0.00 0.00 57.45 54.96 1hga n PHE 43 Cb 0.50 -0.33 0.32 0.00 -0.01 0.00 0.00 39.48 39.96 1hga n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1hga h PRO 44 N 2.83 0.00 -0.51 -1.08 0.14 -1.78 -3.05 132.00 128.55 1hga h PRO 44 Ca 0.19 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.33 1hga h PRO 44 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.83 1hga h PRO 44 CO 0.82 0.00 0.00 -2.39 0.14 0.00 0.00 178.00 176.57 1hga n HIS 45 N -3.10 0.71 -4.27 1.56 1.44 -1.26 -4.91 115.22 105.40 1hga n HIS 45 Ca 0.03 -0.34 -0.23 0.00 -2.01 0.00 0.00 57.72 55.17 1hga n HIS 45 Cb 0.47 -0.03 -0.07 0.00 0.12 0.00 0.00 29.99 30.47 1hga n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1hga s PHE 46 N -1.42 2.69 -0.37 -1.40 0.40 -1.16 -5.08 117.98 111.63 1hga s PHE 46 Ca 0.33 -0.26 -0.20 0.00 -0.60 0.00 0.00 56.93 56.20 1hga s PHE 46 Cb 0.18 -1.28 0.01 0.00 0.51 0.00 0.00 43.02 42.44 1hga s PHE 46 CO 0.21 0.57 0.61 0.34 0.70 0.00 0.00 175.22 177.65 1hga s ASP 47 N -3.70 6.37 -0.24 1.36 -1.08 -1.26 -4.95 116.67 113.17 1hga s ASP 47 Ca 0.33 -0.02 0.14 0.00 -0.52 0.00 0.00 52.55 52.47 1hga s ASP 47 Cb -0.05 -2.31 0.67 0.00 -1.46 0.00 0.00 42.92 39.77 1hga s ASP 47 CO 0.20 -0.61 1.62 0.18 0.52 0.00 0.00 175.17 177.08 1hga n LEU 48 N 6.02 5.00 -4.79 -1.34 4.77 -1.26 -4.46 117.00 120.93 1hga n LEU 48 Ca -0.02 -3.10 -0.36 0.00 -0.03 0.00 0.00 56.01 52.50 1hga n LEU 48 Cb 0.48 -0.64 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 1hga n LEU 48 CO 0.49 0.73 0.68 -0.94 -1.33 0.00 0.00 177.39 177.03 1hga s SER 49 N -1.42 7.00 -0.15 -1.43 1.04 -1.26 -4.92 113.70 112.56 1hga s SER 49 Ca 0.49 1.88 -0.41 0.00 0.48 0.00 0.00 55.95 58.39 1hga s SER 49 Cb 0.39 -2.57 -0.18 0.00 0.10 0.00 0.00 66.02 63.76 1hga s SER 49 CO 0.11 -0.31 1.41 1.57 0.98 0.00 0.00 173.24 177.00 1hga n HIS 50 N -0.01 1.43 -1.05 5.02 -0.00 -1.26 0.72 115.22 120.07 1hga n HIS 50 Ca 0.04 0.85 -0.02 0.00 0.46 0.00 0.00 57.72 59.06 1hga n HIS 50 Cb 0.51 -2.27 -0.01 0.00 -0.12 0.00 0.00 29.99 28.11 1hga n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1hga n GLY 51 N 2.91 0.47 3.68 1.57 0.00 -1.26 -4.99 105.19 107.56 1hga n GLY 51 Ca 0.23 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1hga n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hga n SER 52 N -0.11 1.96 -0.15 1.61 3.41 0.22 -4.82 113.62 115.74 1hga n SER 52 Ca -0.02 0.98 0.14 0.00 -0.26 0.00 0.00 58.87 59.72 1hga n SER 52 Cb 0.20 -1.47 0.60 0.00 -0.26 0.00 0.00 64.21 63.28 1hga n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hga n ALA 53 N -0.87 2.77 -0.02 7.33 0.00 -1.26 -1.88 120.51 126.58 1hga n ALA 53 Ca 0.10 -0.29 -0.15 0.00 0.00 0.00 0.00 53.44 53.10 1hga n ALA 53 Cb 0.43 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.46 1hga n ALA 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1hga h GLN 54 N 0.73 0.25 -0.00 0.00 4.15 -1.87 0.27 115.11 118.64 1hga h GLN 54 Ca 0.00 -0.24 -0.00 0.00 0.77 0.00 0.00 58.65 59.18 1hga h GLN 54 Cb 0.36 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 1hga h GLN 54 CO 0.00 0.92 0.00 0.28 -1.93 0.00 0.00 178.83 178.10 1hga h VAL 55 N -0.33 1.17 -0.40 2.39 2.07 -1.76 0.32 116.25 119.71 1hga h VAL 55 Ca -0.03 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1hga h VAL 55 Cb 1.01 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 1hga h VAL 55 CO 0.06 0.13 0.20 0.11 0.02 0.00 0.00 177.57 178.09 1hga h LYS 56 N -0.21 0.39 -0.68 1.57 1.57 -1.42 0.55 116.57 118.33 1hga h LYS 56 Ca 0.00 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1hga h LYS 56 Cb 0.21 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1hga h LYS 56 CO -0.00 0.26 0.44 0.78 -0.57 0.00 0.00 179.45 180.36 1hga h GLY 57 N 0.40 0.97 1.52 3.86 0.00 -0.75 -2.01 103.07 107.07 1hga h GLY 57 Ca 0.17 -0.34 -0.20 0.00 0.00 0.00 0.00 47.33 46.96 1hga h GLY 57 CO -0.12 0.31 -0.80 0.84 0.00 0.00 0.00 176.54 176.77 1hga h HIS 58 N 0.88 0.64 -0.97 5.60 -0.00 0.37 -3.03 115.15 118.64 1hga h HIS 58 Ca 0.26 -0.30 0.01 0.00 -0.00 0.00 0.00 60.37 60.34 1hga h HIS 58 Cb -0.04 -0.09 -0.05 0.00 -0.00 0.00 0.00 27.41 27.23 1hga h HIS 58 CO -0.04 1.09 0.64 0.78 -0.00 0.00 0.00 177.93 180.40 1hga h GLY 59 N 1.17 1.37 0.95 5.26 0.00 0.39 -1.31 103.07 110.90 1hga h GLY 59 Ca -0.05 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.74 1hga h GLY 59 CO 0.14 0.50 0.17 1.70 0.00 0.00 0.00 176.54 179.06 1hga h LYS 60 N 1.32 0.65 -0.04 4.80 3.64 -1.36 0.02 116.57 125.60 1hga h LYS 60 Ca 0.35 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.63 1hga h LYS 60 Cb -0.15 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 1hga h LYS 60 CO -0.08 0.60 -0.08 0.87 -2.27 0.00 0.00 179.45 178.50 1hga h LYS 61 N 0.56 -0.12 -0.08 1.90 1.57 -1.24 0.14 116.57 119.31 1hga h LYS 61 Ca 0.15 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1hga h LYS 61 Cb 0.20 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 1hga h LYS 61 CO -0.01 -0.08 -0.13 0.28 -0.57 0.00 0.00 179.45 178.94 1hga h VAL 62 N -0.12 0.66 -0.70 0.50 2.07 -1.10 -0.66 116.25 116.91 1hga h VAL 62 Ca 0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1hga h VAL 62 Cb 0.18 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1hga h VAL 62 CO -0.11 0.00 0.46 0.00 0.02 0.00 0.00 177.57 177.94 1hga h ALA 63 N 0.85 1.72 0.00 1.67 0.00 -0.67 -1.14 119.26 121.68 1hga h ALA 63 Ca 0.07 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1hga h ALA 63 Cb 0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1hga h ALA 63 CO -0.18 0.18 -0.70 -0.44 0.00 0.00 0.00 179.25 178.10 1hga h ASP 64 N 0.73 0.00 -0.37 0.00 3.32 -0.07 -1.05 116.42 118.98 1hga h ASP 64 Ca 0.30 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 1hga h ASP 64 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1hga h ASP 64 CO -0.10 0.70 -0.17 0.00 -1.72 0.00 0.00 179.24 177.96 1hga h ALA 65 N 1.30 0.52 -0.48 3.45 0.00 0.03 -1.05 119.26 123.02 1hga h ALA 65 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1hga h ALA 65 Cb 1.34 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1hga h ALA 65 CO 0.09 0.45 0.25 -0.07 0.00 0.00 0.00 179.25 179.97 1hga h LEU 66 N 0.57 0.61 -0.80 0.00 3.38 -1.20 -0.85 115.31 117.01 1hga h LEU 66 Ca 0.09 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1hga h LEU 66 Cb 0.71 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1hga h LEU 66 CO 0.05 0.54 0.50 0.74 0.09 0.00 0.00 178.44 180.37 1hga h THR 67 N 0.63 1.22 -0.45 0.22 2.02 -1.08 -0.74 112.91 114.73 1hga h THR 67 Ca 0.17 -0.45 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 1hga h THR 67 Cb 0.08 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 1hga h THR 67 CO -0.02 0.22 0.08 -1.13 0.37 0.00 0.00 175.52 175.04 1hga h ASN 68 N 1.10 0.70 -0.58 4.18 -1.24 -0.82 -1.37 115.58 117.55 1hga h ASN 68 Ca 0.29 -0.25 -0.04 0.00 0.71 0.00 0.00 56.30 57.00 1hga h ASN 68 Cb -0.07 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 38.76 1hga h ASN 68 CO -0.06 0.78 0.19 0.00 -1.29 0.00 0.00 177.43 177.05 1hga h ALA 69 N 0.95 0.76 -0.42 1.57 0.00 -0.83 -1.78 119.26 119.52 1hga h ALA 69 Ca 0.14 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1hga h ALA 69 Cb 0.37 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1hga h ALA 69 CO 0.01 0.42 0.25 0.28 0.00 0.00 0.00 179.25 180.20 1hga h VAL 70 N 0.82 1.05 0.00 0.00 2.07 -1.02 0.95 116.25 120.12 1hga h VAL 70 Ca 0.19 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1hga h VAL 70 Cb 0.27 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1hga h VAL 70 CO -0.01 0.09 -0.07 0.00 0.02 0.00 0.00 177.57 177.60 1hga h ALA 71 N 1.18 1.22 -0.64 1.67 0.00 -0.93 -2.46 119.26 119.30 1hga h ALA 71 Ca 0.16 -0.06 -0.46 0.00 0.00 0.00 0.00 54.91 54.55 1hga h ALA 71 Cb 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 17.39 1hga h ALA 71 CO -0.07 0.09 -0.83 0.72 0.00 0.00 0.00 179.25 179.16 1hga n HIS 72 N -3.48 2.31 -0.30 0.00 8.25 -0.70 -4.85 115.22 116.45 1hga n HIS 72 Ca -0.02 -2.13 0.30 0.00 -0.26 0.00 0.00 57.72 55.61 1hga n HIS 72 Cb 0.20 -0.32 0.66 0.00 1.12 0.00 0.00 29.99 31.65 1hga n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1hga h VAL 73 N 2.49 0.47 -0.02 1.59 3.04 -0.34 0.35 116.25 123.83 1hga h VAL 73 Ca 0.28 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.92 1hga h VAL 73 Cb 1.47 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 1hga h VAL 73 CO 0.62 0.03 0.00 0.47 -1.01 0.00 0.00 177.57 177.68 1hga n ASP 74 N -4.35 0.95 -2.69 3.17 8.00 -1.26 -4.10 116.55 116.26 1hga n ASP 74 Ca 0.24 -1.36 -0.05 0.00 0.71 0.00 0.00 54.79 54.34 1hga n ASP 74 Cb 1.07 -0.01 0.11 0.00 -0.02 0.00 0.00 41.12 42.27 1hga n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1hga n ASP 75 N -0.24 -1.28 -0.27 -2.24 2.03 0.12 -5.00 116.55 109.67 1hga n ASP 75 Ca 0.20 -2.37 -0.01 0.00 0.52 0.00 0.00 54.79 53.13 1hga n ASP 75 Cb 0.26 0.69 0.19 0.00 -0.72 0.00 0.00 41.12 41.54 1hga n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1hga h MET 76 N 1.76 1.10 -0.79 -0.67 2.86 -1.51 -0.79 114.93 116.90 1hga h MET 76 Ca -0.32 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1hga h MET 76 Cb 1.29 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 32.67 1hga h MET 76 CO -0.05 0.74 0.47 -1.35 1.06 0.00 0.00 176.91 177.79 1hga h PRO 77 N 1.12 1.07 -0.01 -0.22 0.11 -1.94 -1.33 132.00 130.80 1hga h PRO 77 Ca 0.30 -0.10 -0.19 0.00 0.11 0.00 0.00 66.00 66.12 1hga h PRO 77 Cb -0.09 -0.22 0.02 0.00 0.11 0.00 0.00 31.00 30.81 1hga h PRO 77 CO -0.06 0.75 -0.75 -0.91 -0.21 0.00 0.00 178.00 176.82 1hga h ASN 78 N 1.08 0.67 -0.26 -2.05 -0.26 -1.93 -2.27 115.58 110.56 1hga h ASN 78 Ca 0.28 -0.75 0.04 0.00 -0.56 0.00 0.00 56.30 55.32 1hga h ASN 78 Cb -0.04 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 36.97 1hga h ASN 78 CO -0.05 1.33 0.00 0.00 -1.06 0.00 0.00 177.43 177.65 1hga h ALA 79 N 0.36 0.23 -0.55 -0.83 0.00 -0.95 -3.03 119.26 114.48 1hga h ALA 79 Ca -0.09 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hga h ALA 79 Cb 1.44 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1hga h ALA 79 CO 0.15 -0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.26 1hga n LEU 80 N -5.15 4.25 -0.22 0.00 4.77 -0.52 -4.58 117.00 115.55 1hga n LEU 80 Ca -0.01 -2.14 0.02 0.00 -0.03 0.00 0.00 56.01 53.85 1hga n LEU 80 Cb 0.13 -0.55 0.26 0.00 -2.33 0.00 0.00 43.42 40.94 1hga n LEU 80 CO 0.24 0.70 1.24 0.77 -1.33 0.00 0.00 177.39 179.01 1hga h SER 81 N 3.52 0.83 -0.74 -1.43 4.64 -1.28 -1.86 113.55 117.24 1hga h SER 81 Ca 0.00 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1hga h SER 81 Cb 1.33 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 63.19 1hga h SER 81 CO 0.22 0.58 0.36 0.00 -0.87 0.00 0.00 176.83 177.13 1hga h ALA 82 N 1.54 1.21 -0.04 5.18 0.00 -1.83 0.58 119.26 125.92 1hga h ALA 82 Ca 0.29 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1hga h ALA 82 Cb -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1hga h ALA 82 CO -0.08 0.60 -0.44 1.25 0.00 0.00 0.00 179.25 180.58 1hga h LEU 83 N 1.07 0.08 -0.02 0.00 5.85 -1.72 -1.63 115.31 118.95 1hga h LEU 83 Ca 0.26 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1hga h LEU 83 Cb 0.11 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1hga h LEU 83 CO -0.03 0.52 -0.03 0.28 -0.34 0.00 0.00 178.44 178.83 1hga h SER 84 N 0.07 0.06 -0.41 1.25 0.02 -0.74 -1.71 113.55 112.08 1hga h SER 84 Ca 0.00 -0.56 0.09 0.00 -0.84 0.00 0.00 61.79 60.48 1hga h SER 84 Cb 0.81 -0.02 -0.09 0.00 0.14 0.00 0.00 62.40 63.24 1hga h SER 84 CO 0.06 0.61 -0.26 0.44 -1.14 0.00 0.00 176.83 176.54 1hga h ASP 85 N -0.49 -0.86 0.06 3.07 3.32 -0.72 0.39 116.42 121.20 1hga h ASP 85 Ca 0.00 0.17 0.03 0.00 0.02 0.00 0.00 57.03 57.25 1hga h ASP 85 Cb 0.60 0.43 -0.05 0.00 0.22 0.00 0.00 39.33 40.53 1hga h ASP 85 CO 0.01 -0.27 -0.38 0.25 -1.72 0.00 0.00 179.24 177.12 1hga h LEU 86 N -0.18 -1.13 -0.43 1.55 5.85 -1.28 0.26 115.31 119.95 1hga h LEU 86 Ca 0.19 0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.98 1hga h LEU 86 Cb 0.49 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 1hga h LEU 86 CO -0.52 -0.45 -0.00 0.45 -0.34 0.00 0.00 178.44 177.58 1hga h HIS 87 N -0.58 0.83 -0.43 1.25 3.86 -1.04 0.10 115.15 119.16 1hga h HIS 87 Ca 0.04 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 1hga h HIS 87 Cb 0.63 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 1hga h HIS 87 CO -0.36 0.82 0.21 0.00 0.86 0.00 0.00 177.93 179.46 1hga h ALA 88 N 0.90 0.55 0.00 2.45 0.00 -0.04 0.28 119.26 123.41 1hga h ALA 88 Ca 0.12 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1hga h ALA 88 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1hga h ALA 88 CO 0.02 0.10 -1.77 0.72 0.00 0.00 0.00 179.25 178.32 1hga n HIS 89 N -4.68 0.00 -0.00 0.00 8.25 0.91 -4.51 115.22 115.19 1hga n HIS 89 Ca 0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.44 1hga n HIS 89 Cb 0.10 -0.43 -0.01 0.00 1.12 0.00 0.00 29.99 30.77 1hga n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1hga n LYS 90 N -2.15 0.16 -0.12 -0.41 4.76 0.26 -4.80 118.16 115.86 1hga n LYS 90 Ca -0.08 0.06 -0.09 0.00 -2.87 0.00 0.00 58.31 55.33 1hga n LYS 90 Cb 0.53 -0.69 -0.02 0.00 -1.84 0.00 0.00 35.03 33.02 1hga n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1hga h LEU 91 N -0.29 0.48 -2.62 -0.35 3.38 -1.45 -3.48 115.31 110.99 1hga h LEU 91 Ca 0.00 -0.16 -0.44 0.00 0.09 0.00 0.00 57.88 57.38 1hga h LEU 91 Cb 0.29 -0.12 0.05 0.00 0.09 0.00 0.00 40.66 40.97 1hga h LEU 91 CO 0.00 0.50 -0.90 0.54 0.09 0.00 0.00 178.44 178.67 1hga n ARG 92 N -4.70 -2.41 -2.52 1.13 1.74 0.99 -4.93 116.66 105.95 1hga n ARG 92 Ca -0.01 0.49 -0.42 0.00 -0.77 0.00 0.00 57.85 57.14 1hga n ARG 92 Cb 0.13 -4.48 -0.03 0.00 -1.02 0.00 0.00 32.46 27.06 1hga n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1hga s VAL 93 N -3.62 4.41 0.14 1.55 1.01 -1.25 -4.97 120.40 117.68 1hga s VAL 93 Ca 0.28 1.72 -0.33 0.00 0.00 0.00 0.00 61.98 63.64 1hga s VAL 93 Cb -0.09 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.05 1hga s VAL 93 CO 0.85 -0.03 1.65 -0.67 0.00 0.00 0.00 175.10 176.90 1hga n ASP 94 N 5.40 3.32 -0.21 3.32 -0.08 -1.26 -4.77 116.55 122.27 1hga n ASP 94 Ca 0.11 1.06 0.31 0.00 -1.51 0.00 0.00 54.79 54.76 1hga n ASP 94 Cb 0.47 -1.45 0.72 0.00 2.34 0.00 0.00 41.12 43.20 1hga n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1hga h PRO 95 N 6.57 0.00 -0.34 -0.67 0.11 -2.00 0.23 132.00 135.91 1hga h PRO 95 Ca -0.45 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1hga h PRO 95 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1hga h PRO 95 CO 0.91 0.00 0.22 -0.24 -0.21 0.00 0.00 178.00 178.68 1hga h VAL 96 N 0.00 1.08 0.00 3.15 3.04 -2.03 -2.47 116.25 119.03 1hga h VAL 96 Ca 0.47 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 66.00 1hga h VAL 96 Cb 2.01 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.88 1hga h VAL 96 CO -0.00 0.08 0.00 0.78 -1.01 0.00 0.00 177.57 177.42 1hga h ASN 97 N 0.45 0.00 -0.59 3.17 4.21 -0.87 -2.96 115.58 118.99 1hga h ASN 97 Ca 0.13 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.57 1hga h ASN 97 Cb -0.04 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.13 1hga h ASN 97 CO -0.03 0.00 0.12 -0.26 -1.29 0.00 0.00 177.43 175.97 1hga h PHE 98 N 0.00 1.05 -0.57 1.19 -1.00 -1.61 -2.43 116.94 113.57 1hga h PHE 98 Ca 0.00 -0.13 -0.05 0.00 2.81 0.00 0.00 57.97 60.60 1hga h PHE 98 Cb 0.44 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.68 1hga h PHE 98 CO 0.00 0.88 0.15 0.87 -1.61 0.00 0.00 178.31 178.60 1hga h LYS 99 N 0.94 0.87 -0.18 1.51 6.56 -1.67 -1.07 116.57 123.54 1hga h LYS 99 Ca 0.19 -0.18 -0.11 0.00 -1.06 0.00 0.00 60.65 59.50 1hga h LYS 99 Cb 0.38 -0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 31.91 1hga h LYS 99 CO 0.01 0.77 -0.31 -0.07 -2.06 0.00 0.00 179.45 177.79 1hga h LEU 100 N 0.84 0.59 -0.19 2.94 3.38 -1.58 -2.58 115.31 118.70 1hga h LEU 100 Ca 0.19 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 1hga h LEU 100 Cb 0.29 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1hga h LEU 100 CO -0.00 1.01 -0.13 0.25 0.09 0.00 0.00 178.44 179.66 1hga h LEU 101 N 0.18 0.44 -0.94 1.67 5.85 -1.40 -2.41 115.31 118.70 1hga h LEU 101 Ca 0.01 -0.44 0.13 0.00 0.84 0.00 0.00 57.88 58.42 1hga h LEU 101 Cb 0.90 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.72 1hga h LEU 101 CO 0.07 0.79 0.56 0.28 -0.34 0.00 0.00 178.44 179.80 1hga h SER 102 N 0.10 0.78 -0.38 1.25 0.02 -1.22 -0.34 113.55 113.76 1hga h SER 102 Ca 0.04 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1hga h SER 102 Cb 0.64 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1hga h SER 102 CO 0.03 0.39 0.17 -0.74 -1.14 0.00 0.00 176.83 175.54 1hga h HIS 103 N 0.85 0.56 -0.20 3.45 -0.00 -1.36 -2.15 115.15 116.30 1hga h HIS 103 Ca 0.49 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.79 1hga h HIS 103 Cb 0.56 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.79 1hga h HIS 103 CO -0.03 0.48 -0.04 0.00 -0.00 0.00 0.00 177.93 178.34 1hga h LEU 105 N 0.28 0.91 -0.40 0.00 5.85 -0.96 0.56 115.31 121.55 1hga h LEU 105 Ca 0.06 -0.40 -0.17 0.00 0.84 0.00 0.00 57.88 58.22 1hga h LEU 105 Cb 0.27 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1hga h LEU 105 CO 0.01 1.17 -0.47 0.25 -0.34 0.00 0.00 178.44 179.06 1hga h LEU 106 N 0.72 0.90 0.09 2.25 5.85 -0.72 0.10 115.31 124.50 1hga h LEU 106 Ca 0.07 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 1hga h LEU 106 Cb 0.92 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1hga h LEU 106 CO 0.08 1.22 -0.04 0.58 -0.34 0.00 0.00 178.44 179.95 1hga h VAL 107 N 0.66 1.05 -0.23 1.05 2.07 -0.94 -0.02 116.25 119.89 1hga h VAL 107 Ca 0.04 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.11 1hga h VAL 107 Cb 1.05 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 32.14 1hga h VAL 107 CO 0.10 0.12 -0.14 0.74 0.02 0.00 0.00 177.57 178.42 1hga h THR 108 N -0.35 0.58 -0.72 2.57 2.02 -0.76 -0.40 112.91 115.85 1hga h THR 108 Ca -0.01 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1hga h THR 108 Cb 0.30 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1hga h THR 108 CO 0.02 0.00 0.30 -0.07 0.37 0.00 0.00 175.52 176.14 1hga h LEU 109 N -0.13 0.99 -1.24 2.58 3.38 -0.71 -2.36 115.31 117.83 1hga h LEU 109 Ca 0.13 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1hga h LEU 109 Cb 0.32 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1hga h LEU 109 CO -0.31 0.89 0.44 0.00 0.09 0.00 0.00 178.44 179.55 1hga h ALA 110 N 1.14 1.44 0.00 1.53 0.00 -0.40 -0.26 119.26 122.72 1hga h ALA 110 Ca 0.24 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1hga h ALA 110 Cb 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1hga h ALA 110 CO -0.02 0.50 -0.39 0.00 0.00 0.00 0.00 179.25 179.34 1hga h ALA 111 N 1.51 1.14 0.00 0.00 0.00 -0.56 -3.30 119.26 118.05 1hga h ALA 111 Ca 0.26 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1hga h ALA 111 Cb -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1hga h ALA 111 CO -0.05 0.49 -1.87 0.72 0.00 0.00 0.00 179.25 178.54 1hga n HIS 112 N -3.77 0.00 -2.85 0.00 8.25 -1.05 -4.71 115.22 111.10 1hga n HIS 112 Ca -0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.19 1hga n HIS 112 Cb 0.46 -0.47 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 1hga n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1hga n LEU 113 N -2.20 4.22 -0.31 2.41 4.77 -0.13 -4.92 117.00 120.84 1hga n LEU 113 Ca -0.07 -5.49 0.13 0.00 -0.03 0.00 0.00 56.01 50.55 1hga n LEU 113 Cb 0.56 -0.43 0.31 0.00 -2.33 0.00 0.00 43.42 41.53 1hga n LEU 113 CO 0.37 2.31 1.07 1.55 -1.33 0.00 0.00 177.39 181.36 1hga h PRO 114 N 2.89 0.45 -0.15 3.23 0.13 -1.81 -1.14 132.00 135.61 1hga h PRO 114 Ca 0.16 -0.03 -0.18 0.00 -0.87 0.00 0.00 66.00 65.08 1hga h PRO 114 Cb 0.64 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 1hga h PRO 114 CO 0.80 0.30 -0.67 0.00 -0.23 0.00 0.00 178.00 178.20 1hga h ALA 115 N 1.69 0.56 0.00 -0.56 0.00 -1.91 -3.30 119.26 115.73 1hga h ALA 115 Ca 0.56 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1hga h ALA 115 Cb 1.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1hga h ALA 115 CO -0.49 0.71 -0.70 0.39 0.00 0.00 0.00 179.25 179.16 1hga n GLU 116 N -3.91 0.24 -2.53 0.00 -0.58 -0.91 -4.65 120.64 108.30 1hga n GLU 116 Ca -0.05 0.05 -0.43 0.00 -0.42 0.00 0.00 57.16 56.32 1hga n GLU 116 Cb 0.68 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 1hga n GLU 116 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1hga n PHE 117 N -1.98 3.18 -2.35 -0.32 7.35 -0.48 -4.71 117.46 118.16 1hga n PHE 117 Ca 0.03 -2.87 -0.30 0.00 -0.76 0.00 0.00 57.45 53.56 1hga n PHE 117 Cb 0.42 -1.88 -0.01 0.00 0.35 0.00 0.00 39.48 38.36 1hga n PHE 117 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1hga s THR 118 N 0.09 4.76 0.16 -2.13 2.01 -1.26 -4.79 115.64 114.48 1hga s THR 118 Ca 0.39 0.66 -0.19 0.00 0.31 0.00 0.00 61.69 62.87 1hga s THR 118 Cb 0.07 -3.83 0.07 0.00 0.01 0.00 0.00 72.50 68.83 1hga s THR 118 CO 0.02 -0.89 1.66 -0.65 -0.69 0.00 0.00 174.62 174.07 1hga h PRO 119 N 0.28 -0.07 -0.12 4.92 0.11 -1.98 0.70 132.00 135.83 1hga h PRO 119 Ca -0.46 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.69 1hga h PRO 119 Cb 1.19 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1hga h PRO 119 CO 0.62 -0.05 -0.06 0.00 -0.21 0.00 0.00 178.00 178.31 1hga h ALA 120 N 1.22 0.05 -0.33 -0.75 0.00 -1.97 0.00 119.26 117.49 1hga h ALA 120 Ca 0.17 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1hga h ALA 120 Cb 0.34 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1hga h ALA 120 CO -0.40 -0.51 0.05 0.28 0.00 0.00 0.00 179.25 178.67 1hga h VAL 121 N -0.04 1.24 -0.57 0.00 2.07 -1.53 -2.03 116.25 115.38 1hga h VAL 121 Ca 0.07 -0.82 0.11 0.00 0.82 0.00 0.00 66.70 66.87 1hga h VAL 121 Cb 0.15 1.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.97 1hga h VAL 121 CO -0.15 0.27 0.06 -0.74 0.02 0.00 0.00 177.57 177.03 1hga h HIS 122 N 0.37 0.08 -0.12 1.57 6.17 0.51 0.17 115.15 123.90 1hga h HIS 122 Ca 0.10 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.22 1hga h HIS 122 Cb 0.35 0.05 -0.01 0.00 2.52 0.00 0.00 27.41 30.33 1hga h HIS 122 CO 0.02 -0.09 0.07 0.00 0.71 0.00 0.00 177.93 178.65 1hga h ALA 123 N 1.48 0.15 -0.59 5.26 0.00 -0.76 -0.42 119.26 124.38 1hga h ALA 123 Ca 0.29 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 1hga h ALA 123 Cb 0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1hga h ALA 123 CO -0.43 -0.37 0.03 0.77 0.00 0.00 0.00 179.25 179.25 1hga h SER 124 N 0.15 1.00 -0.50 0.00 0.02 -0.77 -2.26 113.55 111.18 1hga h SER 124 Ca 0.05 -0.29 -0.06 0.00 -0.84 0.00 0.00 61.79 60.65 1hga h SER 124 Cb -0.01 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 1hga h SER 124 CO -0.02 1.04 0.10 -0.07 -1.14 0.00 0.00 176.83 176.74 1hga h LEU 125 N 0.92 0.79 -0.65 5.07 3.38 -0.89 -0.36 115.31 123.57 1hga h LEU 125 Ca 0.17 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1hga h LEU 125 Cb 0.51 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1hga h LEU 125 CO 0.02 0.83 0.39 -0.78 0.09 0.00 0.00 178.44 179.00 1hga h ASP 126 N 0.71 0.77 -0.41 -0.43 3.58 -0.75 0.13 116.42 120.02 1hga h ASP 126 Ca 0.16 -0.06 -0.14 0.00 0.42 0.00 0.00 57.03 57.41 1hga h ASP 126 Cb 0.37 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 1hga h ASP 126 CO 0.01 0.60 -0.28 0.11 -2.88 0.00 0.00 179.24 176.80 1hga h LYS 127 N 0.88 0.93 0.10 0.28 1.57 -1.28 -2.24 116.57 116.81 1hga h LYS 127 Ca 0.23 -0.43 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1hga h LYS 127 Cb -0.03 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1hga h LYS 127 CO -0.04 1.09 -0.18 0.35 -0.57 0.00 0.00 179.45 180.09 1hga h PHE 128 N 0.79 -0.48 0.00 -1.35 3.57 -0.55 -0.53 116.94 118.39 1hga h PHE 128 Ca 0.09 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1hga h PHE 128 Cb 0.85 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1hga h PHE 128 CO 0.05 -0.27 -0.27 -0.07 -2.23 0.00 0.00 178.31 175.52 1hga h LEU 129 N -0.35 0.00 -0.58 0.59 3.38 -0.94 -1.79 115.31 115.62 1hga h LEU 129 Ca 0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 1hga h LEU 129 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1hga h LEU 129 CO -0.10 0.27 -0.45 0.00 0.09 0.00 0.00 178.44 178.25 1hga h ALA 130 N 1.73 0.76 -0.02 1.53 0.00 -0.88 -1.66 119.26 120.72 1hga h ALA 130 Ca -0.00 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 1hga h ALA 130 Cb 0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1hga h ALA 130 CO 0.04 0.66 -0.81 0.66 0.00 0.00 0.00 179.25 179.80 1hga h SER 131 N 0.50 0.27 0.16 0.00 4.64 -0.67 -1.17 113.55 117.27 1hga h SER 131 Ca 0.03 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 1hga h SER 131 Cb 0.98 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1hga h SER 131 CO 0.09 0.96 -0.08 0.58 -0.87 0.00 0.00 176.83 177.51 1hga h VAL 132 N 0.13 0.87 -0.88 0.95 2.07 -1.25 0.14 116.25 118.28 1hga h VAL 132 Ca -0.03 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.40 1hga h VAL 132 Cb 1.40 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 1hga h VAL 132 CO 0.12 0.03 0.57 0.28 0.02 0.00 0.00 177.57 178.60 1hga h SER 133 N -0.28 0.92 -0.17 0.57 0.02 -1.25 -0.39 113.55 112.98 1hga h SER 133 Ca -0.02 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1hga h SER 133 Cb 0.22 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1hga h SER 133 CO 0.04 0.62 0.05 0.74 -1.14 0.00 0.00 176.83 177.13 1hga h THR 134 N 1.06 1.19 -0.13 -2.27 2.02 -0.92 -1.54 112.91 112.33 1hga h THR 134 Ca 0.36 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1hga h THR 134 Cb 0.08 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1hga h THR 134 CO -0.11 0.19 0.08 0.58 0.37 0.00 0.00 175.52 176.62 1hga h VAL 135 N 0.09 1.02 0.00 3.16 2.07 -0.45 -1.91 116.25 120.23 1hga h VAL 135 Ca 0.05 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1hga h VAL 135 Cb 0.25 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1hga h VAL 135 CO -0.00 0.03 -0.06 -0.07 0.02 0.00 0.00 177.57 177.49 1hga h LEU 136 N 0.16 0.00 -2.12 2.57 3.38 -0.93 -2.80 115.31 115.57 1hga h LEU 136 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1hga h LEU 136 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1hga h LEU 136 CO -0.02 0.06 0.00 0.35 0.09 0.00 0.00 178.44 178.92 1hga n THR 137 N -3.35 0.44 0.30 0.22 -2.24 -0.59 -4.42 114.28 104.65 1hga n THR 137 Ca -0.01 -0.72 0.19 0.00 -2.27 0.00 0.00 64.05 61.23 1hga n THR 137 Cb 0.22 0.94 0.96 0.00 -2.10 0.00 0.00 70.33 70.35 1hga n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1hga h SER 138 N 2.60 0.00 -0.30 3.42 4.64 -1.07 -2.72 113.55 120.12 1hga h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hga h SER 138 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1hga h SER 138 CO 0.00 0.03 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 1hga n LYS 139 N -3.29 3.08 0.24 4.77 5.02 -1.26 -4.63 118.16 122.09 1hga n LYS 139 Ca -0.02 -2.79 0.09 0.00 -2.02 0.00 0.00 58.31 53.57 1hga n LYS 139 Cb 0.16 -1.82 0.60 0.00 -0.02 0.00 0.00 35.03 33.95 1hga n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1hga h TYR 140 N 2.03 0.00 0.00 2.13 -1.99 -1.78 -3.46 116.97 113.90 1hga h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1hga h TYR 140 Cb 1.41 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.14 1hga h TYR 140 CO 0.52 0.16 0.00 2.89 -0.00 0.00 0.00 178.16 181.73