#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rao s LEU 2 N 0.00 4.51 0.67 7.52 1.43 -1.26 -5.07 118.68 126.47 2rao s LEU 2 Ca 0.00 1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 54.80 2rao s LEU 2 Cb 0.00 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.62 2rao s LEU 2 CO 0.00 -0.06 1.06 -0.94 0.23 0.00 0.00 176.35 176.64 2rao s SER 3 N -0.06 5.77 0.27 2.29 1.04 -1.26 -4.91 113.70 116.84 2rao s SER 3 Ca 0.47 1.24 -0.01 0.00 0.48 0.00 0.00 55.95 58.12 2rao s SER 3 Cb -0.24 -2.14 0.47 0.00 0.10 0.00 0.00 66.02 64.21 2rao s SER 3 CO 0.30 -1.14 1.83 -0.65 0.98 0.00 0.00 173.24 174.56 2rao h PRO 4 N -0.50 0.92 -0.40 4.02 0.11 -2.00 -1.52 132.00 132.63 2rao h PRO 4 Ca -0.45 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.62 2rao h PRO 4 Cb 1.23 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 2rao h PRO 4 CO 0.63 0.61 0.24 0.00 -0.21 0.00 0.00 178.00 179.27 2rao h ALA 5 N 1.50 0.50 -0.37 -0.75 0.00 -2.00 -2.75 119.26 115.38 2rao h ALA 5 Ca 0.45 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.41 2rao h ALA 5 Cb 0.40 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 2rao h ALA 5 CO -0.25 -0.08 0.02 -0.44 0.00 0.00 0.00 179.25 178.50 2rao h ASP 6 N 0.49 -0.12 -0.59 0.00 3.32 -1.70 -1.90 116.42 115.93 2rao h ASP 6 Ca 0.15 0.08 0.10 0.00 0.02 0.00 0.00 57.03 57.38 2rao h ASP 6 Cb -0.02 0.14 -0.08 0.00 0.22 0.00 0.00 39.33 39.59 2rao h ASP 6 CO -0.06 -0.02 0.18 0.11 -1.72 0.00 0.00 179.24 177.72 2rao h LYS 7 N 0.12 0.32 -0.53 3.56 1.57 -1.11 -0.60 116.57 119.90 2rao h LYS 7 Ca 0.18 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2rao h LYS 7 Cb 0.24 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2rao h LYS 7 CO -0.29 0.21 0.22 1.15 -0.57 0.00 0.00 179.45 180.18 2rao h THR 8 N 0.33 1.22 -0.90 -0.16 2.02 -1.19 -0.80 112.91 113.42 2rao h THR 8 Ca 0.30 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 2rao h THR 8 Cb 0.41 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 2rao h THR 8 CO -0.34 0.25 0.54 0.78 0.37 0.00 0.00 175.52 177.12 2rao h ASN 9 N 0.72 1.08 -0.01 4.18 2.35 -0.87 0.17 115.58 123.21 2rao h ASN 9 Ca 0.18 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 2rao h ASN 9 Cb 0.19 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 2rao h ASN 9 CO -0.02 0.83 -0.02 0.40 -1.65 0.00 0.00 177.43 176.98 2rao h ILE 10 N 1.24 1.42 -0.16 2.81 2.04 -0.83 -0.82 117.51 123.20 2rao h ILE 10 Ca 0.32 -1.26 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 2rao h ILE 10 Cb -0.05 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 2rao h ILE 10 CO -0.06 0.33 0.09 0.11 0.00 0.00 0.00 178.15 178.62 2rao h LYS 11 N -0.49 0.22 -0.03 2.37 1.57 -1.00 0.12 116.57 119.33 2rao h LYS 11 Ca 0.00 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2rao h LYS 11 Cb 0.55 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2rao h LYS 11 CO 0.00 0.20 -0.09 1.15 -0.57 0.00 0.00 179.45 180.15 2rao h THR 12 N 0.17 0.76 -0.66 -0.16 2.02 -1.01 -2.10 112.91 111.93 2rao h THR 12 Ca 0.06 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 2rao h THR 12 Cb 0.04 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 2rao h THR 12 CO -0.01 0.00 0.16 0.00 0.37 0.00 0.00 175.52 176.04 2rao h ALA 13 N 0.87 1.04 -0.11 6.16 0.00 -0.98 -2.79 119.26 123.45 2rao h ALA 13 Ca 0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2rao h ALA 13 Cb 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2rao h ALA 13 CO -0.12 0.63 -0.09 2.35 0.00 0.00 0.00 179.25 182.02 2rao h TRP 14 N 0.99 0.17 -0.78 0.00 2.91 -0.55 -2.28 115.95 116.40 2rao h TRP 14 Ca 0.21 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.30 2rao h TRP 14 Cb 0.35 -0.05 -0.07 0.00 -0.51 0.00 0.00 29.16 28.88 2rao h TRP 14 CO 0.03 0.27 0.45 1.49 -1.03 0.00 0.00 178.44 179.64 2rao h GLU 15 N 0.16 0.76 0.00 2.65 4.81 -1.10 -2.71 114.58 119.14 2rao h GLU 15 Ca 0.04 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2rao h GLU 15 Cb 0.27 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 2rao h GLU 15 CO 0.01 0.50 -0.16 0.87 -0.73 0.00 0.00 179.01 179.51 2rao h LYS 16 N 0.78 0.00 0.00 1.92 1.79 -1.36 -2.83 116.57 116.87 2rao h LYS 16 Ca 0.37 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.79 2rao h LYS 16 Cb 0.29 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 2rao h LYS 16 CO -0.22 0.16 -0.21 0.82 -1.08 0.00 0.00 179.45 178.91 2rao h ILE 17 N 0.00 0.77 0.00 1.86 5.03 -1.32 -3.47 117.51 120.37 2rao h ILE 17 Ca -0.00 -0.85 0.00 0.00 -0.12 0.00 0.00 64.86 63.89 2rao h ILE 17 Cb 0.83 1.52 0.00 0.00 -3.03 0.00 0.00 36.82 36.14 2rao h ILE 17 CO 0.02 0.21 0.00 0.61 -0.68 0.00 0.00 178.15 178.31 2rao n GLY 18 N -0.47 3.34 0.85 5.37 0.00 -1.07 -2.37 105.19 110.84 2rao n GLY 18 Ca -0.01 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.92 2rao n GLY 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rao n SER 19 N 3.49 2.49 -0.65 1.61 3.41 -1.26 -4.25 113.62 118.47 2rao n SER 19 Ca 0.00 -1.94 0.12 0.00 -0.26 0.00 0.00 58.87 56.80 2rao n SER 19 Cb 0.00 -0.27 0.37 0.00 -0.26 0.00 0.00 64.21 64.06 2rao n SER 19 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2rao n HIS 20 N 0.86 0.15 -0.41 7.33 8.25 -1.00 -4.47 115.22 125.93 2rao n HIS 20 Ca 0.17 -0.07 -0.08 0.00 -0.26 0.00 0.00 57.72 57.47 2rao n HIS 20 Cb 0.42 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.46 2rao n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2rao n GLY 21 N 1.22 -2.44 0.26 -1.41 0.00 -1.26 -1.27 105.19 100.28 2rao n GLY 21 Ca 0.17 1.17 0.04 0.00 0.00 0.00 0.00 46.02 47.40 2rao n GLY 21 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2rao h GLY 22 N 0.00 0.96 1.46 -0.02 0.00 -1.83 0.26 103.07 103.91 2rao h GLY 22 Ca 0.21 -0.03 -0.12 0.00 0.00 0.00 0.00 47.33 47.38 2rao h GLY 22 CO -0.95 -0.18 -0.32 0.83 0.00 0.00 0.00 176.54 175.92 2rao h GLU 23 N 0.27 0.60 -0.29 4.80 3.07 -1.50 -1.63 114.58 119.91 2rao h GLU 23 Ca 0.39 -0.27 -0.18 0.00 -0.50 0.00 0.00 59.36 58.80 2rao h GLU 23 Cb 0.64 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.54 2rao h GLU 23 CO -0.48 0.85 -0.51 1.88 -1.40 0.00 0.00 179.01 179.34 2rao h TYR 24 N 0.51 1.04 -0.38 4.33 0.05 -0.08 -2.55 116.97 119.89 2rao h TYR 24 Ca 0.06 -0.36 0.08 0.00 0.05 0.00 0.00 58.73 58.56 2rao h TYR 24 Cb 0.81 -0.20 -0.09 0.00 1.01 0.00 0.00 36.73 38.26 2rao h TYR 24 CO 0.03 1.17 -0.32 0.78 -1.05 0.00 0.00 178.16 178.78 2rao h GLY 25 N 0.77 -0.23 0.96 3.88 0.00 -0.30 0.74 103.07 108.89 2rao h GLY 25 Ca 0.02 0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.74 2rao h GLY 25 CO 0.11 -0.21 0.21 0.00 0.00 0.00 0.00 176.54 176.65 2rao h ALA 26 N 0.77 0.58 -0.68 3.60 0.00 -1.25 -2.09 119.26 120.18 2rao h ALA 26 Ca 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2rao h ALA 26 Cb 0.53 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2rao h ALA 26 CO -0.52 0.15 0.31 1.49 0.00 0.00 0.00 179.25 180.67 2rao h GLU 27 N 0.58 0.99 -0.77 0.00 4.81 -1.26 -0.46 114.58 118.48 2rao h GLU 27 Ca 0.15 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2rao h GLU 27 Cb 0.13 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 2rao h GLU 27 CO -0.02 0.80 0.43 0.00 -0.73 0.00 0.00 179.01 179.49 2rao h ALA 28 N 1.14 0.98 -0.44 2.92 0.00 -0.65 -0.76 119.26 122.46 2rao h ALA 28 Ca 0.23 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2rao h ALA 28 Cb 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2rao h ALA 28 CO -0.03 0.48 0.13 0.28 0.00 0.00 0.00 179.25 180.11 2rao h VAL 29 N 1.06 1.23 -0.39 0.00 2.07 -1.16 0.84 116.25 119.90 2rao h VAL 29 Ca 0.27 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 2rao h VAL 29 Cb 0.01 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2rao h VAL 29 CO -0.05 0.27 0.24 -0.08 0.02 0.00 0.00 177.57 177.97 2rao h GLU 30 N 0.57 0.52 -0.97 1.57 4.81 -0.82 -0.45 114.58 119.81 2rao h GLU 30 Ca 0.14 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 2rao h GLU 30 Cb 0.29 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.49 2rao h GLU 30 CO -0.00 0.38 0.63 0.00 -0.73 0.00 0.00 179.01 179.29 2rao h ARG 31 N 0.51 1.09 0.55 1.92 3.08 -0.95 -2.17 114.38 118.42 2rao h ARG 31 Ca 0.14 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 2rao h ARG 31 Cb -0.01 -0.25 0.01 0.00 0.08 0.00 0.00 29.97 29.80 2rao h ARG 31 CO -0.03 0.72 -0.27 1.98 -1.07 0.00 0.00 179.97 181.31 2rao h MET 32 N 1.13 -0.72 -0.78 0.04 4.05 -0.08 -0.78 114.93 117.79 2rao h MET 32 Ca 0.42 0.05 0.09 0.00 -0.28 0.00 0.00 59.70 59.98 2rao h MET 32 Cb 0.18 0.16 -0.05 0.00 -0.80 0.00 0.00 31.60 31.09 2rao h MET 32 CO -0.16 -0.47 0.51 0.74 0.23 0.00 0.00 176.91 177.76 2rao h PHE 33 N -0.76 0.76 0.22 1.39 0.04 -0.91 -1.60 116.94 116.07 2rao h PHE 33 Ca -0.08 0.02 -0.29 0.00 2.80 0.00 0.00 57.97 60.42 2rao h PHE 33 Cb 0.58 -0.25 0.03 0.00 2.20 0.00 0.00 35.95 38.51 2rao h PHE 33 CO -0.03 0.36 -1.30 -0.07 -0.60 0.00 0.00 178.31 176.66 2rao h LEU 34 N 0.71 0.72 0.00 1.54 3.38 -1.35 -3.26 115.31 117.04 2rao h LEU 34 Ca 0.36 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2rao h LEU 34 Cb 0.45 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2rao h LEU 34 CO -0.13 1.63 -0.23 1.23 0.09 0.00 0.00 178.44 181.02 2rao h GLY 35 N 0.02 0.00 -5.84 0.83 0.00 -1.03 -3.39 103.07 93.66 2rao h GLY 35 Ca -0.23 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.60 2rao h GLY 35 CO 0.23 0.00 -0.99 0.69 0.00 0.00 0.00 176.54 176.47 2rao n PHE 36 N -2.65 -0.96 -0.02 5.60 3.72 -0.61 -5.02 117.46 117.51 2rao n PHE 36 Ca 0.04 -3.21 0.23 0.00 -0.05 0.00 0.00 57.45 54.46 2rao n PHE 36 Cb 0.49 0.04 0.72 0.00 -0.94 0.00 0.00 39.48 39.79 2rao n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2rao h PRO 37 N 4.12 0.00 0.00 -1.08 0.11 -1.77 -0.51 132.00 132.87 2rao h PRO 37 Ca 0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 2rao h PRO 37 Cb 0.91 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 2rao h PRO 37 CO 0.43 0.00 -0.02 1.79 -0.21 0.00 0.00 178.00 179.98 2rao h THR 38 N 0.00 0.17 0.00 -1.15 1.35 -1.93 -2.60 112.91 108.75 2rao h THR 38 Ca 0.28 -0.22 -0.03 0.00 -0.55 0.00 0.00 66.41 65.90 2rao h THR 38 Cb 1.23 1.18 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 2rao h THR 38 CO -0.00 0.02 -0.13 0.71 -0.25 0.00 0.00 175.52 175.87 2rao h THR 39 N 0.00 0.70 0.00 6.82 1.35 -1.42 -2.98 112.91 117.39 2rao h THR 39 Ca -0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 2rao h THR 39 Cb 0.18 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 2rao h THR 39 CO 0.00 0.13 0.00 0.11 -0.25 0.00 0.00 175.52 175.51 2rao h LYS 40 N 0.00 0.00 -0.05 4.72 1.57 -1.68 -2.61 116.57 118.52 2rao h LYS 40 Ca -0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2rao h LYS 40 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 2rao h LYS 40 CO 0.02 0.00 0.08 1.15 -0.57 0.00 0.00 179.45 180.12 2rao h THR 41 N 0.00 0.34 -0.00 -0.16 2.02 -1.73 0.27 112.91 113.64 2rao h THR 41 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2rao h THR 41 Cb 0.21 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2rao h THR 41 CO 0.00 0.00 -0.22 -1.22 0.37 0.00 0.00 175.52 174.45 2rao n TYR 42 N -3.57 0.00 -3.17 3.16 4.01 -0.98 -4.30 117.16 112.31 2rao n TYR 42 Ca -0.02 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.48 2rao n TYR 42 Cb 0.16 -0.22 -0.05 0.00 -0.31 0.00 0.00 39.34 38.92 2rao n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2rao n PHE 43 N -1.05 1.92 0.32 -0.72 3.72 0.95 -4.93 117.46 117.67 2rao n PHE 43 Ca 0.11 -3.89 0.15 0.00 -0.05 0.00 0.00 57.45 53.78 2rao n PHE 43 Cb 0.32 -0.46 0.64 0.00 -0.94 0.00 0.00 39.48 39.04 2rao n PHE 43 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2rao h PRO 44 N 3.47 0.00 -0.28 -1.08 0.13 -1.75 -2.63 132.00 129.86 2rao h PRO 44 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2rao h PRO 44 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2rao h PRO 44 CO 0.66 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.04 2rao n HIS 45 N -2.75 0.37 -3.03 1.56 1.44 -1.26 -4.93 115.22 106.61 2rao n HIS 45 Ca 0.01 -0.18 -0.36 0.00 -2.01 0.00 0.00 57.72 55.18 2rao n HIS 45 Cb 0.26 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.31 2rao n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2rao s PHE 46 N -1.63 3.61 -0.21 -1.40 0.40 -0.99 -5.04 117.98 112.72 2rao s PHE 46 Ca 0.33 1.45 -0.21 0.00 -0.60 0.00 0.00 56.93 57.90 2rao s PHE 46 Cb 0.18 -2.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.02 2rao s PHE 46 CO 0.26 0.27 0.66 0.34 0.70 0.00 0.00 175.22 177.46 2rao s ASP 47 N -1.73 6.71 0.00 1.36 2.15 -1.26 -4.96 116.67 118.93 2rao s ASP 47 Ca 0.46 0.86 0.22 0.00 0.43 0.00 0.00 52.55 54.53 2rao s ASP 47 Cb -0.16 -2.36 0.62 0.00 -0.30 0.00 0.00 42.92 40.71 2rao s ASP 47 CO 0.21 -0.32 1.52 0.49 -0.17 0.00 0.00 175.17 176.90 2rao n PHE 48 N 5.24 0.92 -1.67 -5.34 3.72 -1.26 -4.62 117.46 114.45 2rao n PHE 48 Ca -0.00 -0.46 -0.46 0.00 -0.05 0.00 0.00 57.45 56.48 2rao n PHE 48 Cb 0.49 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.99 2rao n PHE 48 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2rao n THR 49 N 1.59 0.03 -1.58 4.37 -1.04 -1.26 -4.86 114.28 111.52 2rao n THR 49 Ca 0.24 -0.01 -0.53 0.00 -2.04 0.00 0.00 64.05 61.71 2rao n THR 49 Cb 0.60 -1.55 -0.06 0.00 -1.82 0.00 0.00 70.33 67.51 2rao n THR 49 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2rao n HIS 50 N 3.57 1.43 -1.02 -1.42 -0.00 -1.26 -0.75 115.22 115.76 2rao n HIS 50 Ca 0.17 0.68 -0.01 0.00 0.46 0.00 0.00 57.72 59.03 2rao n HIS 50 Cb 0.29 -2.31 -0.00 0.00 -0.12 0.00 0.00 29.99 27.85 2rao n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2rao n GLY 51 N 2.43 0.38 3.48 1.57 0.00 -1.26 -4.98 105.19 106.81 2rao n GLY 51 Ca 0.19 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2rao n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rao n SER 52 N -0.27 -0.43 0.25 1.61 3.41 0.07 -4.78 113.62 113.49 2rao n SER 52 Ca -0.01 0.98 0.11 0.00 -0.26 0.00 0.00 58.87 59.69 2rao n SER 52 Cb 0.20 -1.14 0.63 0.00 -0.26 0.00 0.00 64.21 63.63 2rao n SER 52 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2rao h GLU 53 N 1.04 0.00 0.03 4.33 5.08 -1.91 -1.24 114.58 121.90 2rao h GLU 53 Ca -0.39 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2rao h GLU 53 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2rao h GLU 53 CO 0.54 0.17 -0.01 0.37 -1.00 0.00 0.00 179.01 179.07 2rao h GLN 54 N 0.00 -0.03 -0.89 2.33 4.15 -1.88 0.21 115.11 118.99 2rao h GLN 54 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2rao h GLN 54 Cb 0.43 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 2rao h GLN 54 CO 0.02 0.47 0.57 0.82 -1.93 0.00 0.00 178.83 178.79 2rao h ILE 55 N -0.56 1.23 -0.08 2.39 2.04 -1.78 0.37 117.51 121.12 2rao h ILE 55 Ca -0.00 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.42 2rao h ILE 55 Cb 0.52 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 2rao h ILE 55 CO 0.01 0.23 0.01 0.11 0.00 0.00 0.00 178.15 178.51 2rao h LYS 56 N 1.21 0.04 -0.48 2.37 1.79 -1.16 0.92 116.57 121.26 2rao h LYS 56 Ca 0.32 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.78 2rao h LYS 56 Cb -0.11 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 2rao h LYS 56 CO -0.07 0.03 0.26 0.00 -1.08 0.00 0.00 179.45 178.59 2rao h ALA 57 N 1.07 0.61 0.07 3.86 0.00 -0.27 -2.54 119.26 122.06 2rao h ALA 57 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2rao h ALA 57 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2rao h ALA 57 CO -0.06 0.15 -0.07 1.25 0.00 0.00 0.00 179.25 180.52 2rao h HIS 58 N 0.63 -0.18 -0.87 0.00 -0.00 -0.01 -2.84 115.15 111.88 2rao h HIS 58 Ca 0.17 0.00 0.16 0.00 -0.00 0.00 0.00 60.37 60.70 2rao h HIS 58 Cb 0.07 0.07 -0.10 0.00 -0.00 0.00 0.00 27.41 27.45 2rao h HIS 58 CO -0.02 -0.11 0.45 0.78 -0.00 0.00 0.00 177.93 179.04 2rao h GLY 59 N -0.16 1.45 0.33 5.26 0.00 -0.76 -1.59 103.07 107.61 2rao h GLY 59 Ca 0.01 -0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.15 2rao h GLY 59 CO -0.02 -0.06 -0.05 1.70 0.00 0.00 0.00 176.54 178.10 2rao h LYS 60 N 0.62 0.04 -0.63 4.80 3.64 -1.32 -1.48 116.57 122.24 2rao h LYS 60 Ca 0.49 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.78 2rao h LYS 60 Cb 0.73 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 2rao h LYS 60 CO -0.38 0.02 0.05 0.87 -2.27 0.00 0.00 179.45 177.74 2rao h LYS 61 N 0.04 1.07 -0.19 1.90 1.57 -1.07 -0.90 116.57 118.99 2rao h LYS 61 Ca 0.18 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2rao h LYS 61 Cb 0.26 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2rao h LYS 61 CO -0.34 1.01 0.10 0.28 -0.57 0.00 0.00 179.45 179.93 2rao h VAL 62 N 0.99 1.11 -0.18 0.50 2.07 -1.26 -0.83 116.25 118.64 2rao h VAL 62 Ca 0.19 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 2rao h VAL 62 Cb 0.49 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2rao h VAL 62 CO 0.02 0.10 -0.22 0.77 0.02 0.00 0.00 177.57 178.26 2rao h SER 63 N 0.19 0.32 -0.55 0.57 4.64 -1.12 -0.88 113.55 116.72 2rao h SER 63 Ca 0.07 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 2rao h SER 63 Cb 0.08 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2rao h SER 63 CO -0.01 0.55 0.25 -0.33 -0.87 0.00 0.00 176.83 176.43 2rao h GLU 64 N 0.30 0.81 -0.92 4.77 5.08 -0.88 -0.87 114.58 122.86 2rao h GLU 64 Ca 0.05 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2rao h GLU 64 Cb 0.56 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 2rao h GLU 64 CO 0.04 0.67 0.61 0.00 -1.00 0.00 0.00 179.01 179.33 2rao h ALA 65 N 1.09 1.16 -0.43 3.43 0.00 -0.60 -1.88 119.26 122.04 2rao h ALA 65 Ca 0.19 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2rao h ALA 65 Cb 0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2rao h ALA 65 CO -0.02 0.56 -0.22 -0.07 0.00 0.00 0.00 179.25 179.50 2rao h LEU 66 N 1.24 0.88 -0.44 0.00 3.38 -0.95 -2.16 115.31 117.27 2rao h LEU 66 Ca 0.34 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2rao h LEU 66 Cb -0.14 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.34 2rao h LEU 66 CO -0.07 1.07 0.26 0.74 0.09 0.00 0.00 178.44 180.53 2rao h THR 67 N 0.75 1.15 -0.45 0.22 2.02 -0.92 -1.82 112.91 113.86 2rao h THR 67 Ca 0.10 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 66.95 2rao h THR 67 Cb 0.76 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 2rao h THR 67 CO 0.06 0.15 0.25 0.50 0.37 0.00 0.00 175.52 176.86 2rao h LYS 68 N 0.58 0.50 -0.70 6.66 3.64 -1.26 -2.44 116.57 123.55 2rao h LYS 68 Ca 0.16 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.60 2rao h LYS 68 Cb 0.02 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.65 2rao h LYS 68 CO -0.03 0.33 0.34 0.00 -2.27 0.00 0.00 179.45 177.82 2rao h ALA 69 N 1.21 0.96 -0.53 5.00 0.00 -1.20 -2.65 119.26 122.06 2rao h ALA 69 Ca 0.19 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2rao h ALA 69 Cb 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2rao h ALA 69 CO -0.10 -0.08 0.31 0.28 0.00 0.00 0.00 179.25 179.67 2rao h VAL 70 N 0.57 1.16 0.00 0.00 2.07 -0.87 0.22 116.25 119.39 2rao h VAL 70 Ca 0.35 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2rao h VAL 70 Cb 0.39 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2rao h VAL 70 CO -0.28 0.16 0.00 1.23 0.02 0.00 0.00 177.57 178.70 2rao h GLY 71 N 0.78 0.00 -4.82 2.17 0.00 -1.14 -3.34 103.07 96.72 2rao h GLY 71 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 47.10 2rao h GLY 71 CO -0.04 0.00 -1.03 1.42 0.00 0.00 0.00 176.54 176.90 2rao n HIS 72 N -2.71 1.94 0.23 5.60 -0.00 0.75 -4.91 115.22 116.11 2rao n HIS 72 Ca 0.01 -2.76 0.08 0.00 -0.00 0.00 0.00 57.72 55.05 2rao n HIS 72 Cb 0.25 -0.27 0.57 0.00 -0.00 0.00 0.00 29.99 30.54 2rao n HIS 72 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2rao h LEU 73 N 2.77 0.00 -0.12 2.41 3.38 -1.61 -1.93 115.31 120.21 2rao h LEU 73 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2rao h LEU 73 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2rao h LEU 73 CO 0.58 0.20 -0.10 0.47 0.09 0.00 0.00 178.44 179.68 2rao n ASP 74 N -3.90 0.29 -2.93 -0.43 8.00 -1.26 -4.22 116.55 112.10 2rao n ASP 74 Ca -0.02 -0.29 -0.13 0.00 0.71 0.00 0.00 54.79 55.06 2rao n ASP 74 Cb 0.29 -0.16 0.04 0.00 -0.02 0.00 0.00 41.12 41.27 2rao n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2rao n ASP 75 N -1.16 -0.70 -0.14 -2.24 2.03 -0.75 -5.00 116.55 108.58 2rao n ASP 75 Ca 0.13 -3.27 -0.04 0.00 0.52 0.00 0.00 54.79 52.13 2rao n ASP 75 Cb 0.28 0.61 0.05 0.00 -0.72 0.00 0.00 41.12 41.35 2rao n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2rao h LEU 76 N 2.94 0.06 -0.91 -2.67 3.38 -1.66 -0.64 115.31 115.81 2rao h LEU 76 Ca -0.02 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2rao h LEU 76 Cb 1.06 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 2rao h LEU 76 CO 0.30 0.06 0.59 -0.65 0.09 0.00 0.00 178.44 178.84 2rao h PRO 77 N 0.26 1.12 -0.14 1.13 0.11 -1.94 0.79 132.00 133.33 2rao h PRO 77 Ca 0.22 -0.07 0.05 0.00 0.11 0.00 0.00 66.00 66.31 2rao h PRO 77 Cb 0.27 -0.25 -0.05 0.00 0.11 0.00 0.00 31.00 31.07 2rao h PRO 77 CO -0.27 0.74 -0.19 0.78 -0.21 0.00 0.00 178.00 178.85 2rao h GLY 78 N 1.15 -0.15 2.00 -0.55 0.00 -1.85 -2.60 103.07 101.08 2rao h GLY 78 Ca 0.36 0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.84 2rao h GLY 78 CO -0.11 -0.18 -0.42 0.00 0.00 0.00 0.00 176.54 175.83 2rao h ALA 79 N 0.78 0.98 -0.22 3.60 0.00 -0.18 -3.31 119.26 120.91 2rao h ALA 79 Ca 0.10 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2rao h ALA 79 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2rao h ALA 79 CO -0.28 0.53 0.00 1.28 0.00 0.00 0.00 179.25 180.78 2rao n LEU 80 N -3.57 2.78 -0.29 0.00 4.77 0.18 -4.77 117.00 116.10 2rao n LEU 80 Ca -0.00 -2.23 0.04 0.00 -0.03 0.00 0.00 56.01 53.79 2rao n LEU 80 Cb 0.53 -0.23 0.18 0.00 -2.33 0.00 0.00 43.42 41.58 2rao n LEU 80 CO 0.38 0.66 1.13 0.77 -1.33 0.00 0.00 177.39 178.99 2rao h SER 81 N 1.30 0.63 -0.82 -1.43 4.64 -1.56 -0.87 113.55 115.44 2rao h SER 81 Ca 0.00 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2rao h SER 81 Cb 0.79 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.79 2rao h SER 81 CO 0.03 0.33 0.48 0.74 -0.87 0.00 0.00 176.83 177.54 2rao h THR 82 N 0.74 1.23 0.00 2.95 2.02 -1.89 -1.11 112.91 116.84 2rao h THR 82 Ca 0.41 -0.54 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 2rao h THR 82 Cb 0.45 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2rao h THR 82 CO -0.28 0.25 -0.30 -0.07 0.37 0.00 0.00 175.52 175.49 2rao h LEU 83 N 1.14 0.00 -0.03 2.58 3.38 -1.55 -2.25 115.31 118.58 2rao h LEU 83 Ca 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 2rao h LEU 83 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2rao h LEU 83 CO -0.05 0.30 -0.14 -1.28 0.09 0.00 0.00 178.44 177.36 2rao h SER 84 N 0.00 0.18 -0.73 -0.43 0.87 -1.02 -1.16 113.55 111.26 2rao h SER 84 Ca -0.00 -0.65 0.14 0.00 -1.23 0.00 0.00 61.79 60.05 2rao h SER 84 Cb 0.82 -0.05 -0.10 0.00 -0.44 0.00 0.00 62.40 62.63 2rao h SER 84 CO 0.04 0.80 0.26 0.44 -0.53 0.00 0.00 176.83 177.84 2rao h ASP 85 N -0.43 0.21 -0.10 6.23 3.32 -1.14 0.80 116.42 125.30 2rao h ASP 85 Ca -0.01 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2rao h ASP 85 Cb 0.79 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 2rao h ASP 85 CO 0.03 0.07 0.04 0.25 -1.72 0.00 0.00 179.24 177.91 2rao h LEU 86 N 0.39 0.13 0.20 1.55 5.85 -1.29 -1.93 115.31 120.21 2rao h LEU 86 Ca 0.40 -0.17 -0.35 0.00 0.84 0.00 0.00 57.88 58.61 2rao h LEU 86 Cb 0.62 -0.03 0.02 0.00 0.37 0.00 0.00 40.66 41.63 2rao h LEU 86 CO -0.42 0.26 -1.68 0.45 -0.34 0.00 0.00 178.44 176.72 2rao h HIS 87 N -0.00 0.77 0.08 1.25 3.86 -0.86 0.20 115.15 120.44 2rao h HIS 87 Ca 0.03 -0.56 -0.24 0.00 -1.16 0.00 0.00 60.37 58.44 2rao h HIS 87 Cb 0.17 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 2rao h HIS 87 CO -0.02 1.65 -1.24 0.00 0.86 0.00 0.00 177.93 179.19 2rao h ALA 88 N 0.11 0.18 0.02 2.45 0.00 -0.72 -0.16 119.26 121.15 2rao h ALA 88 Ca -0.32 -1.06 -0.14 0.00 0.00 0.00 0.00 54.91 53.39 2rao h ALA 88 Cb 2.10 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 20.37 2rao h ALA 88 CO 0.19 0.72 -0.73 0.45 0.00 0.00 0.00 179.25 179.88 2rao h HIS 89 N -0.53 0.09 0.00 0.00 3.86 -1.48 -3.31 115.15 113.79 2rao h HIS 89 Ca -0.28 -0.07 -0.09 0.00 -1.16 0.00 0.00 60.37 58.77 2rao h HIS 89 Cb 1.58 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.03 2rao h HIS 89 CO 0.14 1.29 -0.51 -0.22 0.86 0.00 0.00 177.93 179.48 2rao h LYS 90 N -0.86 0.00 0.00 2.45 3.64 -1.31 -3.40 116.57 117.09 2rao h LYS 90 Ca -0.19 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.94 2rao h LYS 90 Cb 1.26 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 2rao h LYS 90 CO -0.06 0.93 -1.39 -0.07 -2.27 0.00 0.00 179.45 176.59 2rao h LEU 91 N -1.00 0.01 -1.80 5.20 3.38 -0.70 -3.49 115.31 116.91 2rao h LEU 91 Ca -0.14 -0.02 -0.40 0.00 0.09 0.00 0.00 57.88 57.42 2rao h LEU 91 Cb 1.07 -0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.90 2rao h LEU 91 CO -0.08 1.01 -0.82 0.54 0.09 0.00 0.00 178.44 179.18 2rao n ARG 92 N -3.19 -5.15 -2.19 1.13 1.74 -0.11 -4.92 116.66 103.97 2rao n ARG 92 Ca -0.09 0.67 -0.42 0.00 -0.77 0.00 0.00 57.85 57.24 2rao n ARG 92 Cb 1.00 -5.32 -0.03 0.00 -1.02 0.00 0.00 32.46 27.09 2rao n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2rao s VAL 93 N -3.59 3.54 0.07 1.55 1.01 -0.97 -4.98 120.40 117.02 2rao s VAL 93 Ca 0.02 1.02 -0.31 0.00 0.00 0.00 0.00 61.98 62.71 2rao s VAL 93 Cb -0.00 -3.65 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 2rao s VAL 93 CO 0.79 0.03 1.60 -0.62 0.00 0.00 0.00 175.10 176.91 2rao s ASP 94 N 1.59 6.64 0.56 3.32 -1.08 -1.26 -4.87 116.67 121.58 2rao s ASP 94 Ca 0.64 2.44 0.30 0.00 -0.52 0.00 0.00 52.55 55.41 2rao s ASP 94 Cb -0.34 -2.57 1.46 0.00 -1.46 0.00 0.00 42.92 40.02 2rao s ASP 94 CO 0.28 -0.85 1.87 -0.65 0.52 0.00 0.00 175.17 176.34 2rao h PRO 95 N 8.10 0.00 -0.99 4.34 0.10 -1.96 -0.33 132.00 141.26 2rao h PRO 95 Ca -0.42 0.00 0.22 0.00 0.10 0.00 0.00 66.00 65.90 2rao h PRO 95 Cb 1.20 0.00 -0.09 0.00 0.10 0.00 0.00 31.00 32.20 2rao h PRO 95 CO 0.92 0.00 0.62 -0.24 0.10 0.00 0.00 178.00 179.41 2rao h VAL 96 N 0.00 0.64 0.00 3.15 3.04 -2.02 -0.88 116.25 120.18 2rao h VAL 96 Ca 0.33 -0.20 -0.03 0.00 -1.01 0.00 0.00 66.70 65.80 2rao h VAL 96 Cb 1.52 0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 30.81 2rao h VAL 96 CO -0.00 0.10 -0.13 0.78 -1.01 0.00 0.00 177.57 177.31 2rao h ASN 97 N 0.57 0.00 -0.15 3.17 2.35 -1.42 -2.62 115.58 117.48 2rao h ASN 97 Ca 0.56 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 56.15 2rao h ASN 97 Cb 1.15 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.51 2rao h ASN 97 CO -0.32 0.13 -0.50 -0.26 -1.65 0.00 0.00 177.43 174.84 2rao h PHE 98 N 0.00 0.89 -0.43 1.19 0.04 -1.31 -1.23 116.94 116.09 2rao h PHE 98 Ca -0.00 -0.30 -0.05 0.00 2.80 0.00 0.00 57.97 60.42 2rao h PHE 98 Cb 0.42 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 2rao h PHE 98 CO 0.00 1.07 0.06 0.87 -0.60 0.00 0.00 178.31 179.71 2rao h LYS 99 N 0.57 0.66 -0.15 1.51 1.57 -1.49 0.18 116.57 119.42 2rao h LYS 99 Ca 0.03 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 2rao h LYS 99 Cb 1.06 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 2rao h LYS 99 CO 0.10 0.64 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.37 2rao h LEU 100 N 0.64 0.42 -0.71 2.94 3.38 -1.34 -1.48 115.31 119.16 2rao h LEU 100 Ca 0.14 -0.50 -0.11 0.00 0.09 0.00 0.00 57.88 57.50 2rao h LEU 100 Cb 0.32 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2rao h LEU 100 CO 0.01 0.84 -0.20 0.25 0.09 0.00 0.00 178.44 179.43 2rao h LEU 101 N 0.01 0.79 -0.62 1.67 5.85 -1.02 -1.53 115.31 120.46 2rao h LEU 101 Ca 0.02 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 2rao h LEU 101 Cb 0.73 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2rao h LEU 101 CO 0.04 0.97 0.33 0.28 -0.34 0.00 0.00 178.44 179.73 2rao h SER 102 N 0.69 0.79 -0.37 1.25 0.02 -0.88 -0.86 113.55 114.19 2rao h SER 102 Ca 0.10 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2rao h SER 102 Cb 0.70 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 2rao h SER 102 CO 0.05 0.67 0.22 -0.74 -1.14 0.00 0.00 176.83 175.89 2rao h HIS 103 N 0.85 0.50 -0.17 3.45 -0.00 -0.93 -1.48 115.15 117.37 2rao h HIS 103 Ca 0.22 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.55 2rao h HIS 103 Cb 0.06 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.30 2rao h HIS 103 CO -0.01 0.36 -0.08 0.00 -0.00 0.00 0.00 177.93 178.21 2rao h LEU 105 N 0.24 0.92 -0.45 0.00 3.38 -0.86 -1.88 115.31 116.67 2rao h LEU 105 Ca 0.05 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 2rao h LEU 105 Cb 0.30 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2rao h LEU 105 CO 0.01 1.13 0.05 -0.07 0.09 0.00 0.00 178.44 179.66 2rao h LEU 106 N 0.71 0.73 -0.91 1.67 3.38 -0.46 -0.99 115.31 119.44 2rao h LEU 106 Ca 0.09 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 57.88 2rao h LEU 106 Cb 0.80 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 2rao h LEU 106 CO 0.07 0.82 0.55 0.58 0.09 0.00 0.00 178.44 180.55 2rao h VAL 107 N 0.61 0.96 -0.23 1.22 2.07 -1.03 -1.22 116.25 118.64 2rao h VAL 107 Ca 0.13 -0.32 -0.20 0.00 0.82 0.00 0.00 66.70 67.14 2rao h VAL 107 Cb 0.41 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2rao h VAL 107 CO 0.01 0.17 -0.63 0.74 0.02 0.00 0.00 177.57 177.88 2rao h THR 108 N 0.93 1.28 -0.28 2.57 2.02 -1.02 -2.12 112.91 116.29 2rao h THR 108 Ca 0.43 -1.82 -0.17 0.00 0.77 0.00 0.00 66.41 65.61 2rao h THR 108 Cb 0.35 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.55 2rao h THR 108 CO -0.23 0.59 -0.51 -0.07 0.37 0.00 0.00 175.52 175.66 2rao h LEU 109 N 0.59 0.88 -1.49 2.58 3.38 -0.80 -2.52 115.31 117.92 2rao h LEU 109 Ca -0.02 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 2rao h LEU 109 Cb 1.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2rao h LEU 109 CO 0.14 1.23 0.06 0.00 0.09 0.00 0.00 178.44 179.96 2rao h ALA 110 N 0.79 1.60 -0.47 1.53 0.00 -1.27 -0.73 119.26 120.71 2rao h ALA 110 Ca 0.02 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 2rao h ALA 110 Cb 1.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2rao h ALA 110 CO 0.11 0.31 -0.18 -0.97 0.00 0.00 0.00 179.25 178.51 2rao h ASN 111 N 0.39 0.94 0.16 0.00 -1.24 -0.95 -3.22 115.58 111.67 2rao h ASN 111 Ca 0.09 -0.34 -0.06 0.00 0.71 0.00 0.00 56.30 56.71 2rao h ASN 111 Cb 0.16 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.94 2rao h ASN 111 CO -0.00 1.10 -1.89 1.41 -1.29 0.00 0.00 177.43 176.75 2rao n HIS 112 N -4.12 0.18 -2.71 0.67 8.25 -1.09 -4.63 115.22 111.76 2rao n HIS 112 Ca 0.01 0.05 -0.18 0.00 -0.26 0.00 0.00 57.72 57.34 2rao n HIS 112 Cb 0.43 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.89 2rao n HIS 112 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2rao n HIS 113 N -2.41 2.10 -0.22 4.41 8.25 -0.29 -4.93 115.22 122.12 2rao n HIS 113 Ca -0.08 -3.19 0.09 0.00 -0.26 0.00 0.00 57.72 54.28 2rao n HIS 113 Cb 0.66 -0.30 0.37 0.00 1.12 0.00 0.00 29.99 31.84 2rao n HIS 113 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2rao h PRO 114 N 2.86 0.71 0.00 -0.41 0.11 -1.76 -1.74 132.00 131.76 2rao h PRO 114 Ca 0.09 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 2rao h PRO 114 Cb 0.98 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 2rao h PRO 114 CO 0.65 0.47 -0.06 0.66 -0.21 0.00 0.00 178.00 179.51 2rao h SER 115 N 0.73 0.00 0.92 -2.05 4.64 -1.91 -2.94 113.55 112.94 2rao h SER 115 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2rao h SER 115 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2rao h SER 115 CO -0.14 0.06 -0.54 -0.62 -0.87 0.00 0.00 176.83 174.71 2rao n GLU 116 N -3.12 0.27 -2.55 4.77 4.71 -0.71 -4.49 120.64 119.52 2rao n GLU 116 Ca 0.04 0.10 -0.41 0.00 -0.01 0.00 0.00 57.16 56.87 2rao n GLU 116 Cb 0.54 -1.69 0.01 0.00 -1.01 0.00 0.00 31.44 29.29 2rao n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2rao n PHE 117 N -2.10 2.61 -1.50 -0.32 7.35 -0.87 -4.80 117.46 117.84 2rao n PHE 117 Ca 0.04 -2.64 -0.30 0.00 -0.76 0.00 0.00 57.45 53.79 2rao n PHE 117 Cb 0.43 -1.43 0.10 0.00 0.35 0.00 0.00 39.48 38.94 2rao n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2rao s THR 118 N -2.77 2.84 0.37 -2.13 -4.23 -1.26 -4.75 115.64 103.71 2rao s THR 118 Ca 0.40 0.27 0.08 0.00 -1.18 0.00 0.00 61.69 61.26 2rao s THR 118 Cb 0.14 -2.98 0.31 0.00 1.34 0.00 0.00 72.50 71.31 2rao s THR 118 CO -0.05 -0.36 1.94 -0.65 -0.54 0.00 0.00 174.62 174.96 2rao h PRO 119 N -1.22 0.68 -0.31 3.99 0.11 -1.98 -1.24 132.00 132.03 2rao h PRO 119 Ca -0.48 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.42 2rao h PRO 119 Cb 1.28 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2rao h PRO 119 CO 0.59 0.45 -0.49 0.00 -0.21 0.00 0.00 178.00 178.34 2rao h ALA 120 N 1.61 0.54 -0.47 -0.75 0.00 -1.97 -2.09 119.26 116.13 2rao h ALA 120 Ca 0.34 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2rao h ALA 120 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2rao h ALA 120 CO -0.12 0.68 -0.11 0.28 0.00 0.00 0.00 179.25 179.98 2rao h VAL 121 N 0.67 1.27 -0.34 0.00 2.07 -1.81 -2.36 116.25 115.75 2rao h VAL 121 Ca 0.03 -1.23 0.07 0.00 0.82 0.00 0.00 66.70 66.39 2rao h VAL 121 Cb 1.08 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.87 2rao h VAL 121 CO 0.11 0.43 -0.13 -0.74 0.02 0.00 0.00 177.57 177.25 2rao h HIS 122 N 0.76 -0.32 -0.64 1.57 6.17 -1.22 0.10 115.15 121.57 2rao h HIS 122 Ca 0.12 0.04 0.10 0.00 0.71 0.00 0.00 60.37 61.33 2rao h HIS 122 Cb 0.66 0.19 -0.07 0.00 2.52 0.00 0.00 27.41 30.71 2rao h HIS 122 CO 0.05 -0.21 0.26 0.00 0.71 0.00 0.00 177.93 178.74 2rao h ALA 123 N 1.22 0.85 -0.14 5.26 0.00 -1.26 -0.58 119.26 124.61 2rao h ALA 123 Ca 0.17 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 2rao h ALA 123 Cb 0.33 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2rao h ALA 123 CO -0.39 -0.17 -0.67 0.77 0.00 0.00 0.00 179.25 178.80 2rao h SER 124 N 0.45 0.63 -0.39 0.00 0.02 -0.86 -2.35 113.55 111.04 2rao h SER 124 Ca 0.32 -0.38 -0.09 0.00 -0.84 0.00 0.00 61.79 60.81 2rao h SER 124 Cb 0.40 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2rao h SER 124 CO -0.31 1.12 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.33 2rao h LEU 125 N 0.39 0.77 -0.35 5.07 3.38 -0.53 -0.20 115.31 123.84 2rao h LEU 125 Ca -0.02 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.64 2rao h LEU 125 Cb 1.24 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 2rao h LEU 125 CO 0.12 0.96 0.07 -0.78 0.09 0.00 0.00 178.44 178.90 2rao h ASP 126 N 0.57 0.00 -0.63 -0.43 1.82 -1.06 -0.38 116.42 116.31 2rao h ASP 126 Ca 0.10 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.79 2rao h ASP 126 Cb 0.63 0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.69 2rao h ASP 126 CO 0.04 0.04 0.36 0.11 -1.61 0.00 0.00 179.24 178.18 2rao h LYS 127 N 0.18 0.87 -0.17 0.28 1.57 -1.33 -0.12 116.57 117.86 2rao h LYS 127 Ca 0.17 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 2rao h LYS 127 Cb 0.19 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 2rao h LYS 127 CO -0.22 0.64 -0.18 0.35 -0.57 0.00 0.00 179.45 179.48 2rao h PHE 128 N 0.86 -0.45 -0.40 -1.35 3.57 -0.37 -0.25 116.94 118.55 2rao h PHE 128 Ca 0.22 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 2rao h PHE 128 Cb 0.01 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2rao h PHE 128 CO -0.01 -0.25 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.70 2rao h LEU 129 N -0.20 0.63 -0.63 0.59 3.38 -0.89 -0.98 115.31 117.22 2rao h LEU 129 Ca 0.11 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2rao h LEU 129 Cb 0.37 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2rao h LEU 129 CO -0.29 0.73 0.06 0.00 0.09 0.00 0.00 178.44 179.04 2rao h ALA 130 N 1.34 0.84 -0.43 1.53 0.00 -0.51 0.13 119.26 122.16 2rao h ALA 130 Ca 0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2rao h ALA 130 Cb 0.46 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2rao h ALA 130 CO 0.02 0.63 0.15 -0.91 0.00 0.00 0.00 179.25 179.14 2rao h ASN 131 N 0.97 0.61 -0.31 0.00 4.21 -0.63 -1.68 115.58 118.74 2rao h ASN 131 Ca 0.19 -0.19 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 2rao h ASN 131 Cb 0.48 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 2rao h ASN 131 CO 0.02 0.63 0.15 0.58 -1.29 0.00 0.00 177.43 177.53 2rao h VAL 132 N 0.55 1.15 -0.98 2.81 2.07 -0.96 -2.89 116.25 118.00 2rao h VAL 132 Ca 0.14 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.28 2rao h VAL 132 Cb 0.23 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 2rao h VAL 132 CO -0.01 0.16 0.64 0.28 0.02 0.00 0.00 177.57 178.66 2rao h SER 133 N 0.37 1.03 -0.31 0.57 0.02 -0.49 -2.22 113.55 112.53 2rao h SER 133 Ca 0.11 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2rao h SER 133 Cb 0.11 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2rao h SER 133 CO -0.01 0.68 0.20 0.74 -1.14 0.00 0.00 176.83 177.29 2rao h THR 134 N 1.18 1.06 -0.49 -2.27 2.02 -1.12 -1.95 112.91 111.36 2rao h THR 134 Ca 0.41 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.48 2rao h THR 134 Cb 0.11 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 2rao h THR 134 CO -0.16 0.07 0.29 0.58 0.37 0.00 0.00 175.52 176.68 2rao h VAL 135 N 0.41 1.05 0.00 3.16 2.07 -1.29 -1.64 116.25 120.01 2rao h VAL 135 Ca 0.12 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2rao h VAL 135 Cb -0.03 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2rao h VAL 135 CO -0.04 0.11 0.00 0.18 0.02 0.00 0.00 177.57 177.84 2rao n LEU 136 N -4.81 0.36 -0.86 2.57 4.77 -0.86 -2.51 117.00 115.65 2rao n LEU 136 Ca 0.03 0.55 0.09 0.00 -0.03 0.00 0.00 56.01 56.66 2rao n LEU 136 Cb 0.07 -0.46 0.14 0.00 -2.33 0.00 0.00 43.42 40.84 2rao n LEU 136 CO 0.32 -0.20 0.60 0.35 -1.33 0.00 0.00 177.39 177.14 2rao n THR 137 N -1.85 0.32 -4.20 -5.08 -2.24 -0.75 -2.91 114.28 97.56 2rao n THR 137 Ca 0.05 -0.66 -0.35 0.00 -2.27 0.00 0.00 64.05 60.82 2rao n THR 137 Cb 0.32 1.11 -0.09 0.00 -2.10 0.00 0.00 70.33 69.56 2rao n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2rao s SER 138 N -1.39 5.54 -0.43 3.42 0.01 -0.66 -4.86 113.70 115.33 2rao s SER 138 Ca 0.28 0.19 -0.20 0.00 1.31 0.00 0.00 55.95 57.53 2rao s SER 138 Cb 0.17 -1.71 0.02 0.00 0.21 0.00 0.00 66.02 64.72 2rao s SER 138 CO 0.25 0.34 0.61 -0.54 0.41 0.00 0.00 173.24 174.30 2rao s LYS 139 N -0.64 3.27 0.00 12.44 1.02 -1.26 -4.83 119.74 129.74 2rao s LYS 139 Ca 0.11 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.69 2rao s LYS 139 Cb -0.12 -3.94 0.00 0.00 -0.52 0.00 0.00 37.83 33.25 2rao s LYS 139 CO 0.02 -0.97 0.69 2.48 -0.92 0.00 0.00 175.35 176.66 2rao n TYR 140 N 6.14 0.00 -1.57 3.18 4.11 -1.26 -5.18 117.16 122.58 2rao n TYR 140 Ca -0.03 -0.23 0.00 0.00 -0.00 0.00 0.00 57.90 57.64 2rao n TYR 140 Cb 0.48 -0.02 0.00 0.00 -0.00 0.00 0.00 39.34 39.79 2rao n TYR 140 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75