#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dti s THR 9 N 0.00 1.93 0.00 0.52 -4.23 -1.26 -4.90 115.64 107.71 3dti s THR 9 Ca 0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.40 3dti s THR 9 Cb 0.00 -2.46 -0.06 0.00 1.34 0.00 0.00 72.50 71.32 3dti s THR 9 CO 0.00 0.00 0.83 0.00 -0.54 0.00 0.00 174.62 174.91 3dti h ALA 10 N -2.10 -0.78 -0.75 3.99 0.00 -2.02 -2.75 119.26 114.85 3dti h ALA 10 Ca -0.54 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.41 3dti h ALA 10 Cb 1.33 0.15 -0.13 0.00 0.00 0.00 0.00 17.79 19.14 3dti h ALA 10 CO 0.54 -0.75 -0.37 1.25 0.00 0.00 0.00 179.25 179.92 3dti h LEU 11 N -0.52 -1.32 -0.90 0.00 5.85 -1.96 1.36 115.31 117.83 3dti h LEU 11 Ca -0.04 0.26 0.14 0.00 0.84 0.00 0.00 57.88 59.09 3dti h LEU 11 Cb 0.29 0.66 -0.09 0.00 0.37 0.00 0.00 40.66 41.89 3dti h LEU 11 CO 0.06 -0.30 0.50 0.00 -0.34 0.00 0.00 178.44 178.37 3dti h ALA 12 N 1.09 1.37 0.10 1.25 0.00 -1.96 2.11 119.26 123.22 3dti h ALA 12 Ca 0.27 0.07 -0.29 0.00 0.00 0.00 0.00 54.91 54.96 3dti h ALA 12 Cb 0.57 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.31 3dti h ALA 12 CO -0.80 -0.01 -1.21 0.00 0.00 0.00 0.00 179.25 177.24 3dti h ALA 13 N 1.56 0.05 -0.42 0.00 0.00 -0.65 -2.71 119.26 117.10 3dti h ALA 13 Ca 0.48 -0.77 0.06 0.00 0.00 0.00 0.00 54.91 54.68 3dti h ALA 13 Cb 0.63 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 3dti h ALA 13 CO -0.33 0.73 0.10 0.00 0.00 0.00 0.00 179.25 179.75 3dti h ALA 14 N 0.38 0.46 -0.80 0.00 0.00 0.34 -1.04 119.26 118.60 3dti h ALA 14 Ca -0.17 0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3dti h ALA 14 Cb 1.88 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.70 3dti h ALA 14 CO 0.23 -0.30 0.49 0.87 0.00 0.00 0.00 179.25 180.53 3dti h LYS 15 N 0.24 0.87 -0.58 0.00 1.57 0.33 -2.11 116.57 116.88 3dti h LYS 15 Ca 0.20 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3dti h LYS 15 Cb 0.23 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3dti h LYS 15 CO -0.25 0.57 0.38 0.00 -0.57 0.00 0.00 179.45 179.59 3dti h ALA 16 N 1.38 0.74 0.30 3.86 0.00 -0.90 -0.72 119.26 123.92 3dti h ALA 16 Ca 0.35 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3dti h ALA 16 Cb 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3dti h ALA 16 CO -0.17 0.18 -0.14 -0.09 0.00 0.00 0.00 179.25 179.03 3dti h ARG 17 N 0.79 -0.38 -0.03 0.00 9.65 -0.94 -2.42 114.38 121.05 3dti h ARG 17 Ca 0.21 0.03 0.01 0.00 -1.10 0.00 0.00 59.98 59.13 3dti h ARG 17 Cb -0.08 0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.59 3dti h ARG 17 CO -0.05 -0.19 0.03 1.98 2.80 0.00 0.00 179.97 184.54 3dti h MET 18 N -0.50 0.00 0.29 0.20 4.05 -1.05 0.50 114.93 118.42 3dti h MET 18 Ca -0.04 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 3dti h MET 18 Cb 0.37 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.18 3dti h MET 18 CO 0.07 0.00 -0.14 0.00 0.23 0.00 0.00 176.91 177.07 3dti h ARG 19 N 0.00 -0.37 -0.61 0.39 3.08 -0.90 -3.19 114.38 112.77 3dti h ARG 19 Ca 0.01 0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.18 3dti h ARG 19 Cb 0.06 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.13 3dti h ARG 19 CO -0.00 -0.20 0.25 0.93 -1.07 0.00 0.00 179.97 179.88 3dti h GLU 20 N -0.46 0.43 -0.55 0.04 5.08 0.46 -2.36 114.58 117.21 3dti h GLU 20 Ca -0.04 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3dti h GLU 20 Cb 0.35 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3dti h GLU 20 CO 0.07 0.29 0.32 -0.07 -1.00 0.00 0.00 179.01 178.62 3dti h LEU 21 N 0.44 0.51 -0.19 1.33 3.38 -1.35 0.43 115.31 119.86 3dti h LEU 21 Ca 0.31 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.34 3dti h LEU 21 Cb 0.36 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 3dti h LEU 21 CO -0.29 0.36 -0.38 0.00 0.09 0.00 0.00 178.44 178.22 3dti h ALA 22 N 1.26 -0.47 -1.14 1.53 0.00 -1.46 -0.66 119.26 118.32 3dti h ALA 22 Ca 0.23 0.02 0.33 0.00 0.00 0.00 0.00 54.91 55.48 3dti h ALA 22 Cb 0.05 0.74 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 3dti h ALA 22 CO -0.11 -0.86 0.73 0.00 0.00 0.00 0.00 179.25 179.01 3dti h ALA 23 N 0.30 2.43 -0.30 0.00 0.00 0.29 -0.45 119.26 121.53 3dti h ALA 23 Ca 0.10 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3dti h ALA 23 Cb 0.59 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3dti h ALA 23 CO -0.42 -0.91 0.00 0.43 0.00 0.00 0.00 179.25 178.35 3dti n SER 24 N -4.64 0.00 -0.26 0.00 7.64 -0.31 -1.65 113.62 114.40 3dti n SER 24 Ca 0.29 0.65 -0.07 0.00 1.01 0.00 0.00 58.87 60.75 3dti n SER 24 Cb 1.08 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 63.76 3dti n SER 24 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dti n TYR 25 N -1.85 -0.27 1.28 1.43 4.19 -0.35 -0.22 117.16 121.37 3dti n TYR 25 Ca 0.00 0.77 0.13 0.00 3.31 0.00 0.00 57.90 62.12 3dti n TYR 25 Cb 0.00 -0.55 0.48 0.00 0.49 0.00 0.00 39.34 39.76 3dti n TYR 25 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3dti n GLY 26 N -1.15 -0.87 0.18 2.98 0.00 -0.26 -2.80 105.19 103.27 3dti n GLY 26 Ca 0.01 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.77 3dti n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dti h ALA 27 N 3.55 0.89 -0.11 4.61 0.00 0.35 -2.13 119.26 126.41 3dti h ALA 27 Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3dti h ALA 27 Cb 0.44 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3dti h ALA 27 CO 0.00 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.14 3dti n GLY 28 N 0.56 1.80 3.50 0.00 0.00 -0.99 -4.90 105.19 105.15 3dti n GLY 28 Ca 0.01 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 3dti n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dti s LEU 29 N -0.51 2.69 -0.28 0.99 1.43 -0.80 -5.00 118.68 117.19 3dti s LEU 29 Ca 0.10 -0.85 -0.05 0.00 -1.03 0.00 0.00 54.13 52.30 3dti s LEU 29 Cb 0.08 -1.30 -0.05 0.00 0.03 0.00 0.00 46.19 44.94 3dti s LEU 29 CO 0.03 0.07 3.05 -0.81 0.23 0.00 0.00 176.35 178.92 3dti n PRO 30 N -0.27 2.23 0.00 1.29 -0.04 -1.26 -4.96 135.00 131.99 3dti n PRO 30 Ca -0.09 -1.82 0.00 0.00 -0.04 0.00 0.00 63.50 61.55 3dti n PRO 30 Cb 0.58 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 3dti n PRO 30 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dti n GLY 31 N 1.45 -1.54 0.60 0.55 0.00 -1.26 -4.88 105.19 100.11 3dti n GLY 31 Ca 0.46 -2.06 0.02 0.00 0.00 0.00 0.00 46.02 44.43 3dti n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dti n ARG 32 N 0.00 0.15 -0.84 1.61 5.12 -1.26 -4.81 116.66 116.62 3dti n ARG 32 Ca 0.00 -1.33 -0.30 0.00 -1.93 0.00 0.00 57.85 54.28 3dti n ARG 32 Cb 0.00 -0.54 0.17 0.00 -1.16 0.00 0.00 32.46 30.92 3dti n ARG 32 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 3dti s ASP 33 N -1.36 2.91 0.11 0.55 -4.77 -1.26 -4.84 116.67 108.01 3dti s ASP 33 Ca 0.09 1.90 -0.31 0.00 -3.30 0.00 0.00 52.55 50.92 3dti s ASP 33 Cb 0.09 -2.45 -0.12 0.00 -1.09 0.00 0.00 42.92 39.35 3dti s ASP 33 CO -0.02 -3.06 1.51 0.74 0.70 0.00 0.00 175.17 175.04 3dti h THR 34 N -1.84 0.00 -0.08 2.11 2.02 -1.97 -2.50 112.91 110.65 3dti h THR 34 Ca -0.48 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.73 3dti h THR 34 Cb 1.28 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3dti h THR 34 CO 0.47 0.00 0.06 -0.74 0.37 0.00 0.00 175.52 175.68 3dti h HIS 35 N -0.52 0.00 -0.34 3.16 -0.00 -2.00 0.33 115.15 115.78 3dti h HIS 35 Ca 0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.37 3dti h HIS 35 Cb 0.62 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.02 3dti h HIS 35 CO -0.59 0.00 0.07 1.03 -0.00 0.00 0.00 177.93 178.44 3dti h SER 36 N 0.00 0.52 0.39 3.26 0.87 -1.81 -2.54 113.55 114.23 3dti h SER 36 Ca 0.04 -0.24 -0.03 0.00 -1.23 0.00 0.00 61.79 60.33 3dti h SER 36 Cb 0.16 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3dti h SER 36 CO -0.00 0.63 -0.15 -0.07 -0.53 0.00 0.00 176.83 176.71 3dti h LEU 37 N 0.39 0.00 -0.07 2.23 3.38 -0.74 -2.12 115.31 118.38 3dti h LEU 37 Ca 0.10 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 3dti h LEU 37 Cb 0.31 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.07 3dti h LEU 37 CO 0.00 0.15 -0.52 0.24 0.09 0.00 0.00 178.44 178.40 3dti h MET 38 N 0.00 0.48 0.00 1.13 2.86 -1.29 -3.29 114.93 114.82 3dti h MET 38 Ca -0.00 -0.42 -0.02 0.00 -2.06 0.00 0.00 59.70 57.20 3dti h MET 38 Cb 0.38 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 3dti h MET 38 CO 0.02 1.06 -0.08 1.25 1.06 0.00 0.00 176.91 180.22 3dti h HIS 39 N 0.04 0.00 0.00 -0.22 -0.00 -0.96 -0.49 115.15 113.52 3dti h HIS 39 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 3dti h HIS 39 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 3dti h HIS 39 CO 0.12 0.08 0.00 0.78 -0.00 0.00 0.00 177.93 178.91 3dti h GLY 40 N 0.93 0.00 -7.44 5.26 0.00 -1.58 -3.43 103.07 96.82 3dti h GLY 40 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 3dti h GLY 40 CO 0.01 0.00 1.50 1.08 0.00 0.00 0.00 176.54 179.13 3dti s LEU 41 N -4.74 3.38 -0.72 3.11 1.43 -0.20 -4.88 118.68 116.07 3dti s LEU 41 Ca 0.07 0.95 -0.26 0.00 -1.03 0.00 0.00 54.13 53.86 3dti s LEU 41 Cb 0.10 -2.71 -0.02 0.00 0.03 0.00 0.00 46.19 43.60 3dti s LEU 41 CO 0.50 -2.53 1.79 -0.62 0.23 0.00 0.00 176.35 175.71 3dti s ASP 42 N 10.00 5.41 -1.02 2.29 2.15 -1.26 -3.87 116.67 130.37 3dti s ASP 42 Ca 0.87 -0.08 -0.15 0.00 0.43 0.00 0.00 52.55 53.61 3dti s ASP 42 Cb -0.18 -2.54 -0.00 0.00 -0.30 0.00 0.00 42.92 39.90 3dti s ASP 42 CO 0.26 -2.35 0.73 0.61 -0.17 0.00 0.00 175.17 174.25 3dti n GLY 43 N 5.98 -1.08 3.04 2.66 0.00 -1.26 -5.02 105.19 109.51 3dti n GLY 43 Ca 0.23 0.48 -0.20 0.00 0.00 0.00 0.00 46.02 46.53 3dti n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dti s ILE 44 N -3.30 0.84 0.04 -0.61 1.01 -1.25 -5.03 121.20 112.89 3dti s ILE 44 Ca 0.31 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 3dti s ILE 44 Cb -0.12 -0.71 -0.06 0.00 0.01 0.00 0.00 42.46 41.58 3dti s ILE 44 CO 0.86 0.24 1.29 -0.89 0.00 0.00 0.00 174.94 176.44 3dti s THR 45 N -0.18 3.85 -0.10 2.92 2.01 0.68 -4.95 115.64 119.88 3dti s THR 45 Ca 0.03 1.29 -0.00 0.00 0.31 0.00 0.00 61.69 63.31 3dti s THR 45 Cb -0.05 -3.83 0.02 0.00 0.01 0.00 0.00 72.50 68.66 3dti s THR 45 CO -0.00 0.06 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.70 3dti s LEU 46 N 1.59 1.13 -0.01 4.42 0.20 -1.26 0.08 118.68 124.83 3dti s LEU 46 Ca 0.61 -0.27 0.01 0.00 0.69 0.00 0.00 54.13 55.17 3dti s LEU 46 Cb -0.31 -0.78 0.00 0.00 -0.43 0.00 0.00 46.19 44.68 3dti s LEU 46 CO 0.27 -0.12 -0.05 -0.89 -0.29 0.00 0.00 176.35 175.28 3dti s THR 47 N 1.68 0.42 -0.21 3.68 2.01 0.38 -4.96 115.64 118.64 3dti s THR 47 Ca 0.04 -0.18 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 3dti s THR 47 Cb -0.13 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 71.98 3dti s THR 47 CO -0.07 0.14 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.61 3dti s PHE 48 N 0.18 2.98 0.34 4.92 0.40 -1.26 -2.07 117.98 123.46 3dti s PHE 48 Ca -0.02 -0.77 0.02 0.00 -0.60 0.00 0.00 56.93 55.57 3dti s PHE 48 Cb -0.06 -2.10 -0.01 0.00 0.51 0.00 0.00 43.02 41.37 3dti s PHE 48 CO -0.00 -0.45 0.39 0.00 0.70 0.00 0.00 175.22 175.86 3dti n MET 49 N 4.62 0.56 -2.81 0.44 0.00 -1.09 -4.78 117.12 114.05 3dti n MET 49 Ca -0.18 -2.98 -0.42 0.00 0.00 0.00 0.00 57.70 54.12 3dti n MET 49 Cb 0.51 2.67 -0.03 0.00 0.00 0.00 0.00 33.22 36.36 3dti n MET 49 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 3dti s PRO 50 N -3.03 4.31 -0.07 3.17 0.02 -1.26 0.65 135.00 138.79 3dti s PRO 50 Ca 0.33 1.15 0.10 0.00 0.02 0.00 0.00 61.00 62.60 3dti s PRO 50 Cb 0.00 -3.58 0.15 0.00 0.02 0.00 0.00 34.50 31.09 3dti s PRO 50 CO 0.24 -0.39 1.07 -1.33 -0.33 0.00 0.00 177.00 176.25 3dti n MET 51 N 5.43 2.05 0.00 5.54 2.81 -1.26 -4.99 117.12 126.70 3dti n MET 51 Ca 0.07 -2.03 0.00 0.00 -1.81 0.00 0.00 57.70 53.93 3dti n MET 51 Cb 0.48 -1.24 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 3dti n MET 51 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dti n GLY 52 N -0.96 2.50 0.42 3.03 0.00 -1.26 -2.58 105.19 106.33 3dti n GLY 52 Ca 0.08 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.90 3dti n GLY 52 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dti n GLN 53 N 10.73 1.25 -2.57 1.61 3.00 -1.26 -4.89 117.38 125.25 3dti n GLN 53 Ca 0.00 -0.84 -0.42 0.00 -0.01 0.00 0.00 57.00 55.73 3dti n GLN 53 Cb 0.00 -1.48 -0.03 0.00 0.00 0.00 0.00 30.24 28.72 3dti n GLN 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 3dti s ARG 54 N -2.33 4.53 -0.08 -1.09 3.52 -1.07 -4.95 118.95 117.48 3dti s ARG 54 Ca 0.27 1.60 -0.26 0.00 -0.13 0.00 0.00 55.73 57.20 3dti s ARG 54 Cb 0.20 -3.38 -0.25 0.00 -1.56 0.00 0.00 34.95 29.95 3dti s ARG 54 CO 0.46 -0.09 0.94 -0.44 -0.81 0.00 0.00 175.30 175.36 3dti h ASP 55 N 6.45 0.13 0.00 -2.12 3.32 -1.90 -3.41 116.42 118.90 3dti h ASP 55 Ca -0.42 -0.85 0.00 0.00 0.02 0.00 0.00 57.03 55.78 3dti h ASP 55 Cb 1.22 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3dti h ASP 55 CO 0.77 0.97 0.00 0.61 -1.72 0.00 0.00 179.24 179.87 3dti n GLY 56 N 1.25 1.65 3.23 2.75 0.00 -1.26 0.57 105.19 113.38 3dti n GLY 56 Ca -0.10 0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 3dti n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dti s ALA 57 N -0.68 1.45 -0.27 4.61 0.00 -0.81 -4.96 121.76 121.10 3dti s ALA 57 Ca 0.00 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 50.71 3dti s ALA 57 Cb 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 23.12 23.12 3dti s ALA 57 CO 0.00 0.09 -0.07 -0.47 0.00 0.00 0.00 175.76 175.31 3dti s TYR 58 N -2.13 3.13 -0.50 0.00 5.04 -1.26 -1.60 117.35 120.02 3dti s TYR 58 Ca 0.08 -2.30 -0.20 0.00 -2.44 0.00 0.00 57.07 52.21 3dti s TYR 58 Cb -0.05 -2.00 0.05 0.00 0.35 0.00 0.00 41.96 40.31 3dti s TYR 58 CO 0.03 -0.87 0.69 0.34 -1.34 0.00 0.00 175.55 174.40 3dti s ASP 59 N 1.14 6.26 0.31 4.32 2.15 -0.81 -4.94 116.67 125.11 3dti s ASP 59 Ca -0.05 -0.70 0.16 0.00 0.43 0.00 0.00 52.55 52.38 3dti s ASP 59 Cb -0.20 -2.32 0.36 0.00 -0.30 0.00 0.00 42.92 40.46 3dti s ASP 59 CO -0.06 -0.94 1.58 1.55 -0.17 0.00 0.00 175.17 177.13 3dti h PRO 60 N 9.04 0.00 0.00 4.34 0.13 -1.96 -1.13 132.00 142.41 3dti h PRO 60 Ca -0.27 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.81 3dti h PRO 60 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3dti h PRO 60 CO 0.98 0.51 -0.38 0.93 -0.23 0.00 0.00 178.00 179.81 3dti h GLU 61 N 0.00 0.00 -0.32 0.86 5.08 -1.96 -2.87 114.58 115.37 3dti h GLU 61 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3dti h GLU 61 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3dti h GLU 61 CO 0.07 0.19 0.00 0.72 -1.00 0.00 0.00 179.01 178.99 3dti n HIS 62 N -3.08 0.41 -3.77 4.33 8.25 -1.16 -5.00 115.22 115.19 3dti n HIS 62 Ca 0.02 -0.27 -0.32 0.00 -0.26 0.00 0.00 57.72 56.89 3dti n HIS 62 Cb 0.62 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.76 3dti n HIS 62 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3dti n HIS 63 N 1.11 -1.80 -3.75 4.41 8.25 -0.49 -4.62 115.22 118.33 3dti n HIS 63 Ca 0.15 0.46 -0.13 0.00 -0.26 0.00 0.00 57.72 57.94 3dti n HIS 63 Cb 0.50 -3.43 -0.14 0.00 1.12 0.00 0.00 29.99 28.05 3dti n HIS 63 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3dti s VAL 64 N -3.56 -0.04 -0.04 1.59 0.11 -0.84 -0.23 120.40 117.39 3dti s VAL 64 Ca 0.39 0.15 -0.01 0.00 -2.93 0.00 0.00 61.98 59.58 3dti s VAL 64 Cb -0.15 -0.28 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 3dti s VAL 64 CO 0.88 0.06 0.04 -0.63 -3.33 0.00 0.00 175.10 172.12 3dti s ILE 65 N 1.10 4.49 -0.06 7.04 1.01 0.11 -1.92 121.20 132.97 3dti s ILE 65 Ca -0.08 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.26 3dti s ILE 65 Cb -0.10 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.40 3dti s ILE 65 CO -0.06 0.47 -0.18 -0.76 0.00 0.00 0.00 174.94 174.41 3dti s LEU 66 N -1.32 1.91 -0.02 2.97 1.43 -0.63 -0.47 118.68 122.55 3dti s LEU 66 Ca 0.18 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.93 3dti s LEU 66 Cb -0.12 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 45.02 3dti s LEU 66 CO 0.08 0.14 -0.17 -0.63 0.23 0.00 0.00 176.35 176.00 3dti s ILE 67 N 0.21 1.33 -0.04 -0.59 -1.09 -0.88 -1.93 121.20 118.21 3dti s ILE 67 Ca -0.09 -0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 57.32 3dti s ILE 67 Cb -0.14 -1.11 -0.05 0.00 -1.58 0.00 0.00 42.46 39.58 3dti s ILE 67 CO 0.04 0.38 1.37 0.21 -1.23 0.00 0.00 174.94 175.71 3dti s ASN 68 N -0.33 6.88 0.42 3.58 2.47 0.19 -2.68 114.94 125.47 3dti s ASN 68 Ca 0.05 2.02 0.23 0.00 0.42 0.00 0.00 52.86 55.57 3dti s ASN 68 Cb -0.07 -2.55 0.73 0.00 -1.45 0.00 0.00 41.25 37.91 3dti s ASN 68 CO -0.00 -0.72 1.74 0.77 -3.72 0.00 0.00 177.10 175.17 3dti h SER 69 N 7.98 0.00 0.14 -4.21 4.64 -0.09 -3.29 113.55 118.72 3dti h SER 69 Ca -0.36 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.96 3dti h SER 69 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3dti h SER 69 CO 0.91 0.24 -0.07 1.56 -0.87 0.00 0.00 176.83 178.60 3dti h GLN 70 N 0.00 -0.19 -7.24 4.77 4.20 -1.90 -3.46 115.11 111.29 3dti h GLN 70 Ca -0.00 0.01 -0.50 0.00 0.06 0.00 0.00 58.65 58.22 3dti h GLN 70 Cb 0.88 0.04 0.20 0.00 0.30 0.00 0.00 27.48 28.90 3dti h GLN 70 CO 0.03 0.12 0.17 0.14 -0.67 0.00 0.00 178.83 178.62 3dti s VAL 71 N -4.93 2.00 1.10 -0.54 -7.23 -1.24 -4.97 120.40 104.58 3dti s VAL 71 Ca -0.15 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 59.90 3dti s VAL 71 Cb 0.03 -2.00 0.25 0.00 0.56 0.00 0.00 36.38 35.22 3dti s VAL 71 CO 0.62 -0.00 1.05 0.00 -0.31 0.00 0.00 175.10 176.46 3dti s ARG 72 N -4.59 -0.41 0.04 4.82 1.70 -1.26 -4.80 118.95 114.43 3dti s ARG 72 Ca 0.67 0.72 -0.22 0.00 -0.47 0.00 0.00 55.73 56.43 3dti s ARG 72 Cb -0.24 -1.62 -0.15 0.00 -0.57 0.00 0.00 34.95 32.38 3dti s ARG 72 CO 0.59 -3.35 1.40 -1.35 -1.08 0.00 0.00 175.30 171.51 3dti h PRO 73 N -2.35 0.23 -0.39 3.89 0.11 -1.97 -2.80 132.00 128.72 3dti h PRO 73 Ca -0.59 -0.10 0.08 0.00 0.11 0.00 0.00 66.00 65.50 3dti h PRO 73 Cb 1.33 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.34 3dti h PRO 73 CO 0.53 0.56 -0.33 1.49 -0.21 0.00 0.00 178.00 180.04 3dti h GLU 74 N -0.11 -0.25 -0.36 1.05 4.81 -1.95 0.15 114.58 117.93 3dti h GLU 74 Ca 0.03 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 3dti h GLU 74 Cb 0.48 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 3dti h GLU 74 CO 0.01 -0.17 -0.15 0.00 -0.73 0.00 0.00 179.01 177.98 3dti h ARG 75 N -0.26 0.64 -0.48 1.92 3.08 -1.95 0.11 114.38 117.44 3dti h ARG 75 Ca 0.17 -0.21 0.10 0.00 0.07 0.00 0.00 59.98 60.10 3dti h ARG 75 Cb 0.54 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.45 3dti h ARG 75 CO -0.53 0.76 -0.09 1.96 -1.07 0.00 0.00 179.97 181.00 3dti h GLN 76 N 0.58 0.03 -0.19 0.04 4.20 -0.94 1.70 115.11 120.53 3dti h GLN 76 Ca 0.10 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3dti h GLN 76 Cb 0.59 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 3dti h GLN 76 CO 0.04 0.02 0.10 -0.09 -0.67 0.00 0.00 178.83 178.22 3dti h ARG 77 N 0.03 0.27 0.90 1.46 2.43 0.12 -1.93 114.38 117.65 3dti h ARG 77 Ca 0.24 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3dti h ARG 77 Cb 0.36 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3dti h ARG 77 CO -0.47 0.28 -0.43 0.35 -1.51 0.00 0.00 179.97 178.18 3dti h PHE 78 N 0.19 -1.12 -1.00 2.20 3.57 -0.01 -2.55 116.94 118.23 3dti h PHE 78 Ca 0.07 -0.03 0.30 0.00 3.53 0.00 0.00 57.97 61.84 3dti h PHE 78 Cb 0.09 0.37 -0.18 0.00 2.79 0.00 0.00 35.95 39.02 3dti h PHE 78 CO -0.03 -0.69 0.10 2.41 -2.23 0.00 0.00 178.31 177.87 3dti n THR 79 N -5.60 -0.42 0.42 4.41 -1.04 0.57 -0.60 114.28 112.01 3dti n THR 79 Ca -0.16 2.16 -0.19 0.00 -2.04 0.00 0.00 64.05 63.82 3dti n THR 79 Cb 0.48 -3.22 -0.10 0.00 -1.82 0.00 0.00 70.33 65.68 3dti n THR 79 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3dti h LEU 80 N 0.00 -1.16 -0.66 -4.42 5.85 -0.96 0.14 115.31 114.11 3dti h LEU 80 Ca 0.64 0.06 0.14 0.00 0.84 0.00 0.00 57.88 59.56 3dti h LEU 80 Cb 1.41 0.34 -0.10 0.00 0.37 0.00 0.00 40.66 42.67 3dti h LEU 80 CO -0.91 -0.71 0.11 0.00 -0.34 0.00 0.00 178.44 176.59 3dti h ALA 81 N -1.01 0.77 -0.23 1.25 0.00 -0.47 0.24 119.26 119.81 3dti h ALA 81 Ca -0.10 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3dti h ALA 81 Cb 0.92 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3dti h ALA 81 CO 0.10 -0.34 0.03 1.25 0.00 0.00 0.00 179.25 180.29 3dti h HIS 82 N 0.22 0.05 0.00 0.00 -0.00 -0.39 -1.43 115.15 113.61 3dti h HIS 82 Ca 0.36 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.69 3dti h HIS 82 Cb 0.58 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.99 3dti h HIS 82 CO -0.29 0.01 -0.25 0.93 -0.00 0.00 0.00 177.93 178.33 3dti h GLU 83 N 0.12 0.00 0.88 5.26 4.39 0.71 -0.61 114.58 125.33 3dti h GLU 83 Ca 0.10 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 3dti h GLU 83 Cb 0.11 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3dti h GLU 83 CO -0.15 0.25 -0.42 0.82 -1.16 0.00 0.00 179.01 178.35 3dti h ILE 84 N 0.00 0.00 -1.02 3.13 2.04 -0.34 -0.99 117.51 120.33 3dti h ILE 84 Ca -0.00 -0.07 0.38 0.00 1.00 0.00 0.00 64.86 66.16 3dti h ILE 84 Cb 0.93 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.84 3dti h ILE 84 CO 0.03 0.00 0.57 0.28 0.00 0.00 0.00 178.15 179.03 3dti h SER 85 N -1.25 0.41 0.34 1.72 0.02 -0.92 2.72 113.55 116.59 3dti h SER 85 Ca -0.12 0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3dti h SER 85 Cb 0.90 0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.61 3dti h SER 85 CO 0.20 -0.28 -0.52 0.45 -1.14 0.00 0.00 176.83 175.54 3dti h HIS 86 N 0.16 -1.47 -0.14 3.45 3.86 -0.86 -1.53 115.15 118.63 3dti h HIS 86 Ca 0.80 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 60.06 3dti h HIS 86 Cb 2.00 0.60 -0.06 0.00 1.06 0.00 0.00 27.41 31.01 3dti h HIS 86 CO -0.01 -0.64 -0.53 0.00 0.86 0.00 0.00 177.93 177.60 3dti h ALA 87 N -0.72 -0.89 -0.52 2.45 0.00 0.58 -2.62 119.26 117.54 3dti h ALA 87 Ca -0.04 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.89 3dti h ALA 87 Cb 0.83 1.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.53 3dti h ALA 87 CO -0.16 -1.08 -0.44 -0.07 0.00 0.00 0.00 179.25 177.50 3dti h LEU 88 N -0.57 -1.50 -0.05 0.00 3.38 0.21 -2.23 115.31 114.56 3dti h LEU 88 Ca 0.03 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3dti h LEU 88 Cb 0.67 0.67 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 3dti h LEU 88 CO -0.43 -0.35 -0.04 0.25 0.09 0.00 0.00 178.44 177.96 3dti h LEU 89 N -0.26 -0.14 -1.93 1.67 5.85 -0.90 0.18 115.31 119.77 3dti h LEU 89 Ca 0.16 0.02 0.16 0.00 0.84 0.00 0.00 57.88 59.06 3dti h LEU 89 Cb 0.57 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3dti h LEU 89 CO -0.65 -0.02 0.53 -0.07 -0.34 0.00 0.00 178.44 177.89 3dti h LEU 90 N -0.01 0.00 -2.39 2.25 4.07 -1.22 3.58 115.31 121.60 3dti h LEU 90 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3dti h LEU 90 Cb 0.04 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 3dti h LEU 90 CO -0.05 0.00 0.01 1.23 -1.08 0.00 0.00 178.44 178.55 3dti h GLY 91 N 0.00 0.00 -6.47 0.83 0.00 -0.13 -3.41 103.07 93.89 3dti h GLY 91 Ca 0.27 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.98 3dti h GLY 91 CO -0.00 0.00 -0.56 -0.35 0.00 0.00 0.00 176.54 175.63 3dti s ASP 92 N -6.27 5.67 -0.20 0.19 -1.08 1.19 -4.99 116.67 111.19 3dti s ASP 92 Ca -0.05 0.05 -0.06 0.00 -0.52 0.00 0.00 52.55 51.97 3dti s ASP 92 Cb 0.15 -1.99 -0.20 0.00 -1.46 0.00 0.00 42.92 39.42 3dti s ASP 92 CO 0.57 0.13 0.05 0.47 0.52 0.00 0.00 175.17 176.90 3dti n ASP 93 N 3.86 2.02 -0.21 -0.34 10.43 -1.26 -2.29 116.55 128.76 3dti n ASP 93 Ca -0.16 0.12 0.09 0.00 2.57 0.00 0.00 54.79 57.41 3dti n ASP 93 Cb 0.52 -0.70 0.38 0.00 1.84 0.00 0.00 41.12 43.16 3dti n ASP 93 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3dti h ASP 94 N -0.20 0.63 0.00 -2.24 5.19 -1.96 1.24 116.42 119.08 3dti h ASP 94 Ca -0.51 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 3dti h ASP 94 Cb 1.86 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 41.25 3dti h ASP 94 CO -0.07 0.37 -0.01 0.25 -3.12 0.00 0.00 179.24 176.66 3dti h LEU 95 N 0.69 0.00 -1.82 1.55 6.46 -1.95 -3.06 115.31 117.18 3dti h LEU 95 Ca 0.37 0.00 0.51 0.00 -0.12 0.00 0.00 57.88 58.64 3dti h LEU 95 Cb 0.49 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.35 3dti h LEU 95 CO -0.14 0.05 1.37 0.25 -0.62 0.00 0.00 178.44 179.35 3dti h LEU 96 N -0.10 0.00 0.32 2.25 5.85 -1.36 0.49 115.31 122.76 3dti h LEU 96 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3dti h LEU 96 Cb 0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3dti h LEU 96 CO 0.00 0.00 -0.15 -1.28 -0.34 0.00 0.00 178.44 176.67 3dti h SER 97 N 0.00 -0.36 -1.47 1.25 0.87 0.14 -3.26 113.55 110.72 3dti h SER 97 Ca 0.84 -0.05 0.44 0.00 -1.23 0.00 0.00 61.79 61.79 3dti h SER 97 Cb 3.56 0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 65.54 3dti h SER 97 CO -0.01 0.10 1.04 0.47 -0.53 0.00 0.00 176.83 177.90 3dti n ASP 98 N -5.06 0.04 0.05 6.23 8.00 0.17 -0.23 116.55 125.75 3dti n ASP 98 Ca -0.06 0.86 -0.14 0.00 0.71 0.00 0.00 54.79 56.15 3dti n ASP 98 Cb 0.20 -0.43 -0.04 0.00 -0.02 0.00 0.00 41.12 40.83 3dti n ASP 98 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3dti h LEU 99 N 0.00 0.63 -0.17 0.64 3.38 -1.51 -2.74 115.31 115.53 3dti h LEU 99 Ca 0.74 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3dti h LEU 99 Cb 2.85 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 43.41 3dti h LEU 99 CO -0.09 1.26 -0.00 1.41 0.09 0.00 0.00 178.44 181.12 3dti n HIS 100 N -3.80 0.00 -0.02 1.13 8.25 0.69 -1.56 115.22 119.90 3dti n HIS 100 Ca -0.07 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.28 3dti n HIS 100 Cb 0.81 -0.01 -0.14 0.00 1.12 0.00 0.00 29.99 31.77 3dti n HIS 100 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3dti n ASP 101 N -0.80 1.07 0.00 0.41 9.92 -1.04 -4.39 116.55 121.73 3dti n ASP 101 Ca 0.23 0.38 0.00 0.00 -0.53 0.00 0.00 54.79 54.87 3dti n ASP 101 Cb 0.16 -0.19 0.00 0.00 -0.64 0.00 0.00 41.12 40.45 3dti n ASP 101 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3dti n GLU 102 N -3.11 0.50 -4.14 -1.24 4.07 -1.20 -5.08 120.64 110.44 3dti n GLU 102 Ca -0.19 -0.37 -0.09 0.00 -0.06 0.00 0.00 57.16 56.45 3dti n GLU 102 Cb 1.05 -0.86 -0.10 0.00 -0.06 0.00 0.00 31.44 31.47 3dti n GLU 102 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 3dti s TYR 103 N -0.18 0.78 -0.22 4.31 1.51 -0.60 -5.10 117.35 117.85 3dti s TYR 103 Ca 0.00 -1.02 -0.32 0.00 -1.01 0.00 0.00 57.07 54.72 3dti s TYR 103 Cb 0.00 -0.48 0.16 0.00 -0.11 0.00 0.00 41.96 41.52 3dti s TYR 103 CO 0.00 -0.28 1.22 -1.83 -1.11 0.00 0.00 175.55 173.55 3dti s GLU 104 N -3.90 0.27 1.88 -0.62 -1.05 -1.26 -4.14 118.70 109.88 3dti s GLU 104 Ca 0.12 -0.01 0.00 0.00 -0.15 0.00 0.00 54.97 54.93 3dti s GLU 104 Cb 0.07 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 3dti s GLU 104 CO -0.05 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.47 3dti n GLY 105 N 0.30 -1.35 0.39 -3.83 0.00 -1.26 -3.57 105.19 95.86 3dti n GLY 105 Ca -0.02 -1.27 0.17 0.00 0.00 0.00 0.00 46.02 44.90 3dti n GLY 105 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dti h ASP 106 N 0.00 0.46 -0.62 1.61 3.32 -2.01 0.54 116.42 119.71 3dti h ASP 106 Ca 0.00 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.15 3dti h ASP 106 Cb 0.00 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 39.43 3dti h ASP 106 CO 0.00 0.20 -0.37 -1.14 -1.72 0.00 0.00 179.24 176.21 3dti n ARG 107 N -4.53 -0.27 -0.08 3.56 0.63 -1.25 -0.44 116.66 114.28 3dti n ARG 107 Ca 0.18 1.30 0.22 0.00 -0.92 0.00 0.00 57.85 58.63 3dti n ARG 107 Cb 0.62 -1.92 0.67 0.00 0.45 0.00 0.00 32.46 32.28 3dti n ARG 107 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 3dti h LEU 108 N 0.00 0.06 0.06 6.15 5.85 0.03 -0.40 115.31 127.05 3dti h LEU 108 Ca 0.10 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3dti h LEU 108 Cb 0.26 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3dti h LEU 108 CO -0.59 0.03 -0.03 -0.33 -0.34 0.00 0.00 178.44 177.18 3dti h GLU 109 N 0.06 -0.08 -0.75 1.25 4.39 -0.65 -2.09 114.58 116.71 3dti h GLU 109 Ca 0.32 0.01 0.12 0.00 0.34 0.00 0.00 59.36 60.15 3dti h GLU 109 Cb 1.21 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.79 3dti h GLU 109 CO -0.02 0.53 0.36 0.37 -1.16 0.00 0.00 179.01 179.08 3dti h GLN 110 N -0.84 0.55 0.30 2.33 5.75 -0.03 -2.02 115.11 121.16 3dti h GLN 110 Ca -0.01 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3dti h GLN 110 Cb 0.64 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 3dti h GLN 110 CO 0.01 0.36 -0.23 0.28 -2.65 0.00 0.00 178.83 176.61 3dti h VAL 111 N 0.57 0.51 -0.34 2.39 2.07 -1.14 -2.84 116.25 117.47 3dti h VAL 111 Ca 0.39 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.95 3dti h VAL 111 Cb 0.50 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 3dti h VAL 111 CO -0.32 0.00 -0.31 0.40 0.02 0.00 0.00 177.57 177.36 3dti h ILE 112 N -0.53 0.00 -0.36 4.57 2.04 -0.69 -1.15 117.51 121.38 3dti h ILE 112 Ca -0.02 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.94 3dti h ILE 112 Cb 0.47 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3dti h ILE 112 CO -0.01 0.00 0.29 -0.33 0.00 0.00 0.00 178.15 178.10 3dti h GLU 113 N -0.13 0.00 -0.01 2.37 4.39 -1.34 1.36 114.58 121.21 3dti h GLU 113 Ca 0.06 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.67 3dti h GLU 113 Cb 0.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3dti h GLU 113 CO -0.39 0.00 -0.42 1.15 -1.16 0.00 0.00 179.01 178.19 3dti h THR 114 N 0.00 1.30 0.00 1.13 2.02 -0.97 -0.62 112.91 115.77 3dti h THR 114 Ca 0.17 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.90 3dti h THR 114 Cb 0.74 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 3dti h THR 114 CO -0.00 0.42 -0.04 -0.07 0.37 0.00 0.00 175.52 176.20 3dti h LEU 115 N 0.03 0.03 -1.03 2.58 3.38 0.22 0.27 115.31 120.79 3dti h LEU 115 Ca -0.00 -0.87 0.27 0.00 0.09 0.00 0.00 57.88 57.37 3dti h LEU 115 Cb 0.75 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.36 3dti h LEU 115 CO 0.06 0.90 0.60 0.00 0.09 0.00 0.00 178.44 180.08 3dti h ASN 117 N 0.50 -0.66 -0.90 0.00 2.35 -0.95 0.97 115.58 116.88 3dti h ASN 117 Ca 0.67 -0.03 0.22 0.00 -0.55 0.00 0.00 56.30 56.60 3dti h ASN 117 Cb 1.38 0.17 -0.12 0.00 0.05 0.00 0.00 38.32 39.80 3dti h ASN 117 CO -0.50 -0.36 0.41 0.58 -1.65 0.00 0.00 177.43 175.91 3dti h VAL 118 N -0.95 0.50 0.00 2.81 2.07 0.26 -1.49 116.25 119.45 3dti h VAL 118 Ca -0.08 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3dti h VAL 118 Cb 0.65 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3dti h VAL 118 CO 0.13 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.41 3dti n GLY 119 N -1.33 -2.79 0.33 2.17 0.00 1.00 -2.61 105.19 101.95 3dti n GLY 119 Ca 0.22 0.23 -0.06 0.00 0.00 0.00 0.00 46.02 46.41 3dti n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dti n ALA 120 N -2.08 -0.35 -0.33 4.61 0.00 0.30 -0.91 120.51 121.75 3dti n ALA 120 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 53.44 54.17 3dti n ALA 120 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.24 3dti n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dti n ALA 121 N -3.47 0.00 -0.14 0.00 0.00 -0.61 -0.74 120.51 115.56 3dti n ALA 121 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.45 3dti n ALA 121 Cb 0.25 0.08 0.03 0.00 0.00 0.00 0.00 19.45 19.82 3dti n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dti h ALA 122 N -0.67 0.36 0.00 0.00 0.00 -0.77 -0.46 119.26 117.71 3dti h ALA 122 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dti h ALA 122 Cb 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3dti h ALA 122 CO 0.00 -0.42 -0.02 1.25 0.00 0.00 0.00 179.25 180.06 3dti h LEU 123 N 0.06 0.00 0.02 0.00 5.85 0.07 -1.82 115.31 119.48 3dti h LEU 123 Ca 0.22 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.57 3dti h LEU 123 Cb 0.33 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3dti h LEU 123 CO -0.41 0.02 -2.29 0.18 -0.34 0.00 0.00 178.44 175.60 3dti n LEU 124 N -3.31 1.76 -3.89 2.25 4.77 0.08 -4.82 117.00 113.85 3dti n LEU 124 Ca -0.02 0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.67 3dti n LEU 124 Cb 0.14 -0.38 -0.14 0.00 -2.33 0.00 0.00 43.42 40.71 3dti n LEU 124 CO 0.24 0.73 -0.25 -0.04 -1.33 0.00 0.00 177.39 176.74 3dti s MET 125 N -2.52 1.58 0.55 3.23 -1.94 -0.27 -4.88 119.30 115.03 3dti s MET 125 Ca -0.22 -2.15 -0.21 0.00 -1.71 0.00 0.00 55.69 51.40 3dti s MET 125 Cb 0.08 -2.95 -0.05 0.00 2.01 0.00 0.00 34.83 33.92 3dti s MET 125 CO 0.72 -1.07 1.31 -2.14 -0.01 0.00 0.00 175.02 173.84 3dti s PRO 126 N 0.33 3.16 0.65 2.03 0.02 -1.13 -4.35 135.00 135.71 3dti s PRO 126 Ca 0.15 2.12 0.35 0.00 0.02 0.00 0.00 61.00 63.64 3dti s PRO 126 Cb -0.23 -2.21 1.94 0.00 0.02 0.00 0.00 34.50 34.01 3dti s PRO 126 CO -0.04 -1.14 2.14 0.00 -0.33 0.00 0.00 177.00 177.62 3dti h ALA 127 N 1.41 1.35 0.00 -1.55 0.00 -1.98 -2.36 119.26 116.12 3dti h ALA 127 Ca -0.51 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.23 3dti h ALA 127 Cb 1.30 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3dti h ALA 127 CO 0.57 -0.20 -1.47 0.39 0.00 0.00 0.00 179.25 178.54 3dti n GLU 128 N -3.21 0.62 0.15 0.00 4.71 -1.26 -2.87 120.64 118.79 3dti n GLU 128 Ca -0.01 0.20 0.04 0.00 -0.01 0.00 0.00 57.16 57.37 3dti n GLU 128 Cb 0.25 -1.78 0.09 0.00 -1.01 0.00 0.00 31.44 28.99 3dti n GLU 128 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 3dti h LEU 129 N 0.00 0.00 0.02 -4.62 5.85 -1.80 -1.99 115.31 112.77 3dti h LEU 129 Ca -0.17 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3dti h LEU 129 Cb 1.58 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.61 3dti h LEU 129 CO 0.04 0.46 -0.01 0.40 -0.34 0.00 0.00 178.44 178.99 3dti h ILE 130 N 0.00 1.46 -0.65 4.05 2.04 -1.61 -2.83 117.51 119.98 3dti h ILE 130 Ca -0.00 -1.89 -0.06 0.00 1.00 0.00 0.00 64.86 63.91 3dti h ILE 130 Cb 1.28 2.67 -0.03 0.00 -0.74 0.00 0.00 36.82 40.00 3dti h ILE 130 CO 0.06 0.46 0.16 0.44 0.00 0.00 0.00 178.15 179.27 3dti h ASP 131 N -0.90 0.95 -0.87 1.72 3.32 -1.62 0.26 116.42 119.28 3dti h ASP 131 Ca -0.00 -0.19 0.14 0.00 0.02 0.00 0.00 57.03 57.00 3dti h ASP 131 Cb 0.77 -0.25 -0.09 0.00 0.22 0.00 0.00 39.33 39.98 3dti h ASP 131 CO 0.00 0.92 0.47 -0.78 -1.72 0.00 0.00 179.24 178.13 3dti h ASP 132 N 0.97 0.60 -0.00 6.45 3.58 -1.45 0.59 116.42 127.16 3dti h ASP 132 Ca 0.21 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.72 3dti h ASP 132 Cb 0.34 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.37 3dti h ASP 132 CO -0.00 0.27 -0.09 -0.07 -2.88 0.00 0.00 179.24 176.46 3dti h LEU 133 N 0.68 0.09 -1.16 2.28 4.07 -0.93 -2.36 115.31 117.97 3dti h LEU 133 Ca 0.47 -0.77 0.20 0.00 0.08 0.00 0.00 57.88 57.85 3dti h LEU 133 Cb 0.63 -0.03 -0.09 0.00 1.08 0.00 0.00 40.66 42.25 3dti h LEU 133 CO -0.34 0.85 0.61 -0.07 -1.08 0.00 0.00 178.44 178.41 3dti h LEU 134 N -0.67 0.67 -0.04 1.67 3.38 -0.30 0.34 115.31 120.36 3dti h LEU 134 Ca -0.01 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3dti h LEU 134 Cb 0.86 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3dti h LEU 134 CO 0.02 0.24 0.01 0.74 0.09 0.00 0.00 178.44 179.54 3dti h THR 135 N 0.66 1.18 -0.07 0.22 2.02 -0.86 0.22 112.91 116.28 3dti h THR 135 Ca 0.55 -0.55 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 3dti h THR 135 Cb 1.00 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 3dti h THR 135 CO -0.32 0.15 -0.25 0.03 0.37 0.00 0.00 175.52 175.50 3dti h ARG 136 N -0.14 0.29 -0.01 6.66 3.08 -0.47 -3.37 114.38 120.41 3dti h ARG 136 Ca 0.01 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3dti h ARG 136 Cb 0.23 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3dti h ARG 136 CO -0.00 0.86 -0.44 1.19 -1.07 0.00 0.00 179.97 180.50 3dti n PHE 137 N -4.49 0.00 -3.01 3.04 3.72 0.99 -5.10 117.46 112.61 3dti n PHE 137 Ca -0.08 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.34 3dti n PHE 137 Cb 0.46 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.99 3dti n PHE 137 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dti n GLY 138 N 1.18 -1.86 2.94 1.37 0.00 0.77 -4.31 105.19 105.28 3dti n GLY 138 Ca 0.05 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 3dti n GLY 138 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dti n PRO 139 N -1.16 3.30 -4.24 1.61 -0.04 -1.26 -4.51 135.00 128.70 3dti n PRO 139 Ca 0.00 -3.22 -0.19 0.00 -0.04 0.00 0.00 63.50 60.04 3dti n PRO 139 Cb 0.08 -3.11 -0.12 0.00 -0.04 0.00 0.00 33.50 30.31 3dti n PRO 139 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3dti s THR 140 N 1.79 1.37 0.35 0.52 -4.23 -1.26 -4.84 115.64 109.35 3dti s THR 140 Ca 0.44 -1.58 0.15 0.00 -1.18 0.00 0.00 61.69 59.52 3dti s THR 140 Cb 0.09 -1.42 0.36 0.00 1.34 0.00 0.00 72.50 72.87 3dti s THR 140 CO -0.02 -0.29 1.59 1.23 -0.54 0.00 0.00 174.62 176.59 3dti h GLY 141 N 3.83 2.00 0.48 3.99 0.00 -1.67 0.71 103.07 112.41 3dti h GLY 141 Ca -0.41 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 46.84 3dti h GLY 141 CO 0.45 -0.70 -0.38 -0.09 0.00 0.00 0.00 176.54 175.82 3dti h ARG 142 N 0.04 -0.67 -0.48 4.80 2.43 -1.83 -0.90 114.38 117.76 3dti h ARG 142 Ca 0.77 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 60.08 3dti h ARG 142 Cb 1.93 0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 31.54 3dti h ARG 142 CO -0.79 -0.45 -0.31 0.00 -1.51 0.00 0.00 179.97 176.91 3dti h ALA 143 N -0.22 -0.07 -0.45 2.80 0.00 0.18 0.16 119.26 121.66 3dti h ALA 143 Ca -0.00 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.13 3dti h ALA 143 Cb 0.67 0.70 -0.08 0.00 0.00 0.00 0.00 17.79 19.08 3dti h ALA 143 CO -0.14 -0.68 -0.10 1.25 0.00 0.00 0.00 179.25 179.58 3dti h LEU 144 N -0.20 -0.40 -1.02 0.00 5.85 -1.19 -0.42 115.31 117.93 3dti h LEU 144 Ca 0.20 0.13 0.10 0.00 0.84 0.00 0.00 57.88 59.16 3dti h LEU 144 Cb 0.53 0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.76 3dti h LEU 144 CO -0.59 -0.14 0.64 0.00 -0.34 0.00 0.00 178.44 178.00 3dti h ALA 145 N 1.45 1.49 0.30 1.25 0.00 0.70 -2.07 119.26 122.38 3dti h ALA 145 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3dti h ALA 145 Cb 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dti h ALA 145 CO -0.46 0.29 -0.15 0.93 0.00 0.00 0.00 179.25 179.87 3dti h GLU 146 N 1.05 -0.39 -0.83 0.00 4.39 0.39 -2.70 114.58 116.49 3dti h GLU 146 Ca 0.48 0.03 0.16 0.00 0.34 0.00 0.00 59.36 60.37 3dti h GLU 146 Cb 0.39 0.09 -0.16 0.00 -0.10 0.00 0.00 28.75 28.97 3dti h GLU 146 CO -0.23 -0.26 -0.21 -0.11 -1.16 0.00 0.00 179.01 177.03 3dti n LEU 147 N -4.09 -0.31 0.22 1.33 7.94 -0.33 0.13 117.00 121.89 3dti n LEU 147 Ca -0.05 1.43 -0.15 0.00 -1.11 0.00 0.00 56.01 56.13 3dti n LEU 147 Cb 0.16 -0.43 -0.08 0.00 0.53 0.00 0.00 43.42 43.60 3dti n LEU 147 CO 0.12 -1.37 0.74 0.00 -1.11 0.00 0.00 177.39 175.77 3dti h ALA 148 N 1.64 -0.49 0.06 1.96 0.00 -1.47 1.10 119.26 122.07 3dti h ALA 148 Ca 0.39 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3dti h ALA 148 Cb 0.60 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3dti h ALA 148 CO -0.86 -0.76 -0.09 -0.09 0.00 0.00 0.00 179.25 177.45 3dti h ARG 149 N -0.50 -0.15 -0.58 0.00 2.43 0.30 0.86 114.38 116.74 3dti h ARG 149 Ca -0.05 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.25 3dti h ARG 149 Cb 0.38 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.86 3dti h ARG 149 CO 0.08 -0.10 -0.06 0.00 -1.51 0.00 0.00 179.97 178.38 3dti h ARG 150 N -0.15 0.06 0.00 0.20 3.08 0.12 0.43 114.38 118.11 3dti h ARG 150 Ca -0.01 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 3dti h ARG 150 Cb 0.14 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3dti h ARG 150 CO -0.02 0.04 -0.35 0.00 -1.07 0.00 0.00 179.97 178.57 3dti h ALA 151 N 1.55 1.30 -5.54 0.04 0.00 0.12 -3.48 119.26 113.26 3dti h ALA 151 Ca 0.29 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3dti h ALA 151 Cb 0.46 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.21 3dti h ALA 151 CO -0.54 0.44 -0.17 -3.47 0.00 0.00 0.00 179.25 175.50 3dti n ASP 152 N -3.95 -7.39 -2.85 0.00 2.03 0.29 -4.99 116.55 99.69 3dti n ASP 152 Ca -0.02 -0.21 -0.16 0.00 0.52 0.00 0.00 54.79 54.92 3dti n ASP 152 Cb 0.41 -4.88 -0.06 0.00 -0.72 0.00 0.00 41.12 35.87 3dti n ASP 152 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3dti n VAL 153 N -1.96 0.00 -2.81 5.18 0.24 -0.60 -5.01 118.33 113.36 3dti n VAL 153 Ca -0.04 -1.94 -0.40 0.00 -2.04 0.00 0.00 64.34 59.92 3dti n VAL 153 Cb 0.53 0.94 -0.06 0.00 -1.47 0.00 0.00 33.84 33.78 3dti n VAL 153 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3dti s SER 154 N -2.88 7.57 0.29 -1.34 1.04 -1.26 -4.72 113.70 112.40 3dti s SER 154 Ca 0.30 1.86 0.16 0.00 0.48 0.00 0.00 55.95 58.74 3dti s SER 154 Cb 0.01 -2.58 1.03 0.00 0.10 0.00 0.00 66.02 64.58 3dti s SER 154 CO 0.21 0.17 1.23 0.00 0.98 0.00 0.00 173.24 175.83 3dti n ALA 155 N 1.57 0.78 0.08 5.32 0.00 -1.26 0.10 120.51 127.10 3dti n ALA 155 Ca -0.03 0.80 -0.13 0.00 0.00 0.00 0.00 53.44 54.08 3dti n ALA 155 Cb 0.48 -0.79 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 3dti n ALA 155 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3dti h THR 156 N 0.00 1.43 0.48 0.00 1.35 -1.99 -2.46 112.91 111.72 3dti h THR 156 Ca 0.65 -2.59 -0.02 0.00 -0.55 0.00 0.00 66.41 63.90 3dti h THR 156 Cb 1.71 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 70.67 3dti h THR 156 CO -0.61 0.77 -0.23 0.28 -0.25 0.00 0.00 175.52 175.48 3dti h SER 157 N 0.19 -0.55 -0.09 5.36 0.02 0.30 -2.81 113.55 115.97 3dti h SER 157 Ca -0.09 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3dti h SER 157 Cb 1.65 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 64.27 3dti h SER 157 CO 0.17 -0.34 -0.49 0.00 -1.14 0.00 0.00 176.83 175.03 3dti h ALA 158 N -0.23 -0.79 -0.72 3.77 0.00 -1.51 -2.41 119.26 117.37 3dti h ALA 158 Ca -0.07 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.91 3dti h ALA 158 Cb 0.53 0.90 -0.12 0.00 0.00 0.00 0.00 17.79 19.11 3dti h ALA 158 CO 0.11 -1.03 -0.28 -0.11 0.00 0.00 0.00 179.25 177.93 3dti n LEU 159 N -5.45 -0.47 -0.05 0.00 7.94 -0.93 0.57 117.00 118.62 3dti n LEU 159 Ca -0.06 1.26 -0.15 0.00 -1.11 0.00 0.00 56.01 55.96 3dti n LEU 159 Cb 0.38 -0.29 -0.07 0.00 0.53 0.00 0.00 43.42 43.97 3dti n LEU 159 CO 0.11 -1.13 0.48 1.88 -1.11 0.00 0.00 177.39 177.62 3dti h TYR 160 N 0.00 0.62 -0.06 1.96 0.05 -1.32 -2.88 116.97 115.34 3dti h TYR 160 Ca 0.25 -0.23 0.03 0.00 0.05 0.00 0.00 58.73 58.83 3dti h TYR 160 Cb 0.43 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 38.02 3dti h TYR 160 CO -0.64 0.96 -0.17 0.00 -1.05 0.00 0.00 178.16 177.26 3dti h ALA 161 N 0.54 -0.16 -0.92 3.88 0.00 0.64 -2.51 119.26 120.72 3dti h ALA 161 Ca -0.00 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.06 3dti h ALA 161 Cb 0.94 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 3dti h ALA 161 CO 0.07 -0.65 0.59 1.25 0.00 0.00 0.00 179.25 180.52 3dti h LEU 162 N -0.25 0.78 -0.07 0.00 5.85 -0.01 -2.91 115.31 118.70 3dti h LEU 162 Ca 0.07 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 3dti h LEU 162 Cb 0.35 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.27 3dti h LEU 162 CO -0.21 0.42 -0.48 0.00 -0.34 0.00 0.00 178.44 177.84 3dti h ALA 163 N 1.57 0.15 -0.21 1.25 0.00 -1.24 -3.15 119.26 117.62 3dti h ALA 163 Ca 0.45 -0.50 0.06 0.00 0.00 0.00 0.00 54.91 54.92 3dti h ALA 163 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3dti h ALA 163 CO -0.21 0.32 0.22 1.49 0.00 0.00 0.00 179.25 181.07 3dti h GLU 164 N -0.02 0.00 -0.83 0.00 4.81 -1.26 -0.69 114.58 116.60 3dti h GLU 164 Ca -0.04 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.62 3dti h GLU 164 Cb 1.14 0.00 -0.33 0.00 0.63 0.00 0.00 28.75 30.19 3dti h GLU 164 CO 0.10 0.00 0.08 0.54 -0.73 0.00 0.00 179.01 179.00 3dti n ARG 165 N -3.87 2.95 -5.17 1.92 1.74 -1.19 -4.88 116.66 108.15 3dti n ARG 165 Ca 0.02 -3.62 -0.31 0.00 -0.77 0.00 0.00 57.85 53.17 3dti n ARG 165 Cb 0.35 -2.23 -0.17 0.00 -1.02 0.00 0.00 32.46 29.39 3dti n ARG 165 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3dti s THR 166 N -4.50 1.98 0.00 0.55 2.01 -0.27 -4.94 115.64 110.48 3dti s THR 166 Ca 0.57 -0.98 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 3dti s THR 166 Cb 0.46 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 71.24 3dti s THR 166 CO 0.02 0.54 0.82 0.00 -0.69 0.00 0.00 174.62 175.31 3dti h ALA 167 N 6.66 -0.81 -2.49 7.40 0.00 -1.93 -3.38 119.26 124.71 3dti h ALA 167 Ca -0.21 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.20 3dti h ALA 167 Cb 1.23 0.02 0.10 0.00 0.00 0.00 0.00 17.79 19.14 3dti h ALA 167 CO 0.47 -0.80 0.38 -1.25 0.00 0.00 0.00 179.25 178.04 3dti s PRO 168 N -2.72 2.24 0.01 0.00 0.04 -1.26 -4.68 135.00 128.62 3dti s PRO 168 Ca -0.01 0.41 -0.33 0.00 0.04 0.00 0.00 61.00 61.11 3dti s PRO 168 Cb 0.00 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.47 3dti s PRO 168 CO 0.03 -1.46 1.84 -0.35 0.04 0.00 0.00 177.00 177.09 3dti n PRO 169 N -3.29 2.39 -3.63 0.56 -0.04 -1.26 -4.72 135.00 125.01 3dti n PRO 169 Ca 0.07 0.87 -0.09 0.00 -0.04 0.00 0.00 63.50 64.31 3dti n PRO 169 Cb 0.58 -2.73 -0.07 0.00 -0.04 0.00 0.00 33.50 31.24 3dti n PRO 169 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3dti s VAL 170 N 3.37 0.00 -0.04 0.52 1.01 -1.26 -1.81 120.40 122.19 3dti s VAL 170 Ca 0.88 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.92 3dti s VAL 170 Cb -0.61 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 3dti s VAL 170 CO 0.45 0.00 -0.20 -0.63 0.00 0.00 0.00 175.10 174.73 3dti s ILE 171 N 0.04 2.59 0.05 2.22 1.01 0.26 -1.76 121.20 125.60 3dti s ILE 171 Ca 0.03 -0.90 0.07 0.00 0.00 0.00 0.00 60.65 59.84 3dti s ILE 171 Cb -0.04 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 3dti s ILE 171 CO -0.06 0.58 -0.16 -0.31 0.00 0.00 0.00 174.94 174.99 3dti s TYR 172 N -0.63 2.60 -0.18 3.97 2.02 0.12 0.16 117.35 125.41 3dti s TYR 172 Ca 0.10 -0.23 -0.12 0.00 -0.37 0.00 0.00 57.07 56.45 3dti s TYR 172 Cb -0.11 -1.47 0.06 0.00 -0.40 0.00 0.00 41.96 40.04 3dti s TYR 172 CO 0.00 0.28 0.45 0.00 -1.57 0.00 0.00 175.55 174.72 3dti s ALA 173 N -0.96 -1.16 0.22 3.71 0.00 -0.32 -1.48 121.76 121.76 3dti s ALA 173 Ca 0.15 1.58 -0.07 0.00 0.00 0.00 0.00 51.96 53.62 3dti s ALA 173 Cb -0.11 -0.94 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 3dti s ALA 173 CO 0.06 -0.27 0.50 0.08 0.00 0.00 0.00 175.76 176.13 3dti s VAL 174 N 1.15 5.02 -0.08 0.00 1.01 -1.12 -1.76 120.40 124.62 3dti s VAL 174 Ca -0.07 0.25 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 3dti s VAL 174 Cb -0.07 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.69 3dti s VAL 174 CO -0.10 -0.09 0.22 0.00 0.00 0.00 0.00 175.10 175.13 3dti s ALA 176 N 0.14 0.90 0.33 0.00 0.00 -1.06 -1.74 121.76 120.33 3dti s ALA 176 Ca -0.00 -1.42 -0.12 0.00 0.00 0.00 0.00 51.96 50.41 3dti s ALA 176 Cb -0.02 0.57 -0.08 0.00 0.00 0.00 0.00 23.12 23.60 3dti s ALA 176 CO 0.00 -0.39 0.71 -0.51 0.00 0.00 0.00 175.76 175.57 3dti s LEU 177 N -3.05 4.01 0.00 0.00 1.02 -1.26 -0.54 118.68 118.87 3dti s LEU 177 Ca 0.19 1.16 0.02 0.00 0.02 0.00 0.00 54.13 55.52 3dti s LEU 177 Cb 0.07 -3.98 0.02 0.00 0.02 0.00 0.00 46.19 42.32 3dti s LEU 177 CO -0.01 -0.24 0.17 -1.54 0.02 0.00 0.00 176.35 174.74 3dti n SER 178 N -0.61 2.35 0.00 2.29 3.41 -1.26 -4.81 113.62 114.99 3dti n SER 178 Ca 0.03 -2.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 3dti n SER 178 Cb 0.53 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3dti n SER 178 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3dti n LEU 192 N 0.00 0.00 -4.10 1.04 0.00 -1.26 -5.31 117.00 107.38 3dti n LEU 192 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 56.01 55.69 3dti n LEU 192 Cb 0.39 0.00 -0.17 0.00 0.00 0.00 0.00 43.42 43.64 3dti n LEU 192 CO 0.22 0.00 -0.50 -0.89 0.00 0.00 0.00 177.39 176.23 3dti s THR 193 N 0.00 1.42 0.28 1.96 2.01 0.30 -0.39 115.64 121.22 3dti s THR 193 Ca 0.00 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 3dti s THR 193 Cb 0.00 -1.25 -0.13 0.00 0.01 0.00 0.00 72.50 71.13 3dti s THR 193 CO 0.00 0.41 1.45 0.52 -0.69 0.00 0.00 174.62 176.31 3dti n VAL 194 N 3.58 1.21 -0.08 3.82 0.31 -0.60 -2.56 118.33 124.00 3dti n VAL 194 Ca -0.21 -0.30 -0.14 0.00 -0.01 0.00 0.00 64.34 63.67 3dti n VAL 194 Cb 0.52 -1.67 -0.05 0.00 -0.91 0.00 0.00 33.84 31.74 3dti n VAL 194 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3dti n ARG 195 N 1.73 0.44 -4.42 5.55 5.12 -0.89 -2.39 116.66 121.80 3dti n ARG 195 Ca 0.09 0.18 -0.20 0.00 -1.93 0.00 0.00 57.85 55.99 3dti n ARG 195 Cb 0.34 -1.25 -0.10 0.00 -1.16 0.00 0.00 32.46 30.28 3dti n ARG 195 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dti s ALA 196 N -2.58 2.21 -0.24 7.54 0.00 -1.26 -4.59 121.76 122.84 3dti s ALA 196 Ca -0.26 -1.97 -0.27 0.00 0.00 0.00 0.00 51.96 49.46 3dti s ALA 196 Cb 0.07 0.77 0.13 0.00 0.00 0.00 0.00 23.12 24.09 3dti s ALA 196 CO 0.36 -0.35 1.04 0.45 0.00 0.00 0.00 175.76 177.26 3dti s SER 197 N -3.44 -0.41 0.00 0.00 0.15 -1.26 -2.80 113.70 105.94 3dti s SER 197 Ca 0.36 0.68 -0.20 0.00 0.70 0.00 0.00 55.95 57.50 3dti s SER 197 Cb 0.08 0.66 0.04 0.00 -1.71 0.00 0.00 66.02 65.09 3dti s SER 197 CO 0.15 -0.21 0.43 -0.55 1.20 0.00 0.00 173.24 174.27 3dti s SER 198 N -0.22 -0.33 -0.02 5.45 0.15 -0.55 -4.97 113.70 113.20 3dti s SER 198 Ca 0.02 0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.89 3dti s SER 198 Cb -0.04 0.41 -0.00 0.00 -1.71 0.00 0.00 66.02 64.68 3dti s SER 198 CO -0.04 -0.57 -0.12 0.00 1.20 0.00 0.00 173.24 173.71 3dti s ALA 199 N -1.77 1.06 1.17 5.45 0.00 -1.26 0.15 121.76 126.56 3dti s ALA 199 Ca -0.10 -0.47 -0.17 0.00 0.00 0.00 0.00 51.96 51.22 3dti s ALA 199 Cb -0.02 -0.34 0.27 0.00 0.00 0.00 0.00 23.12 23.02 3dti s ALA 199 CO 0.03 0.20 1.08 -1.54 0.00 0.00 0.00 175.76 175.53 3dti s SER 200 N 0.02 1.14 0.00 0.00 1.04 -0.72 -4.85 113.70 110.32 3dti s SER 200 Ca -0.01 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.29 3dti s SER 200 Cb -0.08 -1.29 0.00 0.00 0.10 0.00 0.00 66.02 64.75 3dti s SER 200 CO 0.01 -4.02 0.00 0.00 0.98 0.00 0.00 173.24 170.21 3dti n ALA 201 N -4.72 0.00 -2.21 5.32 0.00 -1.26 -2.67 120.51 114.96 3dti n ALA 201 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.29 3dti n ALA 201 Cb 0.59 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.05 3dti n ALA 201 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dti n GLY 202 N 0.00 6.19 3.62 0.00 0.00 -1.26 -4.98 105.19 108.76 3dti n GLY 202 Ca 0.00 -2.69 -0.38 0.00 0.00 0.00 0.00 46.02 42.95 3dti n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dti s VAL 203 N -4.96 5.27 -0.19 1.61 1.01 -1.09 -4.95 120.40 117.10 3dti s VAL 203 Ca 0.50 0.35 0.14 0.00 0.00 0.00 0.00 61.98 62.96 3dti s VAL 203 Cb 0.41 -3.59 0.38 0.00 0.00 0.00 0.00 36.38 33.58 3dti s VAL 203 CO -0.05 0.25 1.21 2.29 0.00 0.00 0.00 175.10 178.80 3dti n LYS 204 N 4.89 1.53 -3.34 2.72 2.85 -1.26 -4.83 118.16 120.72 3dti n LYS 204 Ca -0.12 -3.06 -0.41 0.00 -1.05 0.00 0.00 58.31 53.67 3dti n LYS 204 Cb 0.52 -1.59 -0.09 0.00 -0.65 0.00 0.00 35.03 33.21 3dti n LYS 204 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3dti s TYR 205 N -3.12 3.20 0.18 5.58 2.02 -1.26 -5.09 117.35 118.86 3dti s TYR 205 Ca 0.36 0.04 0.06 0.00 -0.37 0.00 0.00 57.07 57.17 3dti s TYR 205 Cb 0.34 -2.78 -0.04 0.00 -0.40 0.00 0.00 41.96 39.09 3dti s TYR 205 CO -0.03 -0.49 0.07 0.45 -1.57 0.00 0.00 175.55 173.99 3dti s SER 206 N 1.75 5.13 -0.27 2.29 0.15 -1.26 -4.99 113.70 116.50 3dti s SER 206 Ca 0.14 -0.29 0.01 0.00 0.70 0.00 0.00 55.95 56.52 3dti s SER 206 Cb -0.16 -1.21 0.07 0.00 -1.71 0.00 0.00 66.02 63.01 3dti s SER 206 CO 0.12 0.06 -0.01 -0.22 1.20 0.00 0.00 173.24 174.39 3dti s LEU 207 N -3.14 3.02 0.83 3.45 2.96 -1.26 -5.01 118.68 119.52 3dti s LEU 207 Ca 0.30 -1.46 -0.11 0.00 -0.22 0.00 0.00 54.13 52.63 3dti s LEU 207 Cb -0.09 -1.24 0.09 0.00 0.50 0.00 0.00 46.19 45.44 3dti s LEU 207 CO 0.21 -0.29 1.09 -0.94 -1.32 0.00 0.00 176.35 175.10 3dti s SER 208 N 1.31 4.10 1.06 3.68 1.04 -1.26 -4.63 113.70 119.00 3dti s SER 208 Ca -0.00 1.53 -0.15 0.00 0.48 0.00 0.00 55.95 57.81 3dti s SER 208 Cb -0.19 -2.25 0.22 0.00 0.10 0.00 0.00 66.02 63.91 3dti s SER 208 CO -0.09 -2.25 1.12 0.00 0.98 0.00 0.00 173.24 173.00 3dti s ALA 209 N -2.99 1.02 0.00 5.32 0.00 -1.26 -3.31 121.76 120.54 3dti s ALA 209 Ca 0.62 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3dti s ALA 209 Cb -0.17 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3dti s ALA 209 CO 0.56 -3.02 0.00 0.41 0.00 0.00 0.00 175.76 173.71 3dti n GLY 210 N -1.41 1.39 3.66 0.00 0.00 -1.01 -4.92 105.19 102.90 3dti n GLY 210 Ca 0.09 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.52 3dti n GLY 210 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dti n THR 211 N 0.00 0.22 -1.50 2.61 -1.04 -1.21 -4.63 114.28 108.73 3dti n THR 211 Ca 0.00 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.05 61.66 3dti n THR 211 Cb 0.00 -1.08 0.12 0.00 -1.82 0.00 0.00 70.33 67.55 3dti n THR 211 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3dti s PRO 212 N 3.90 1.47 -0.18 -2.82 0.04 -1.26 -1.56 135.00 134.59 3dti s PRO 212 Ca 1.02 0.47 -0.04 0.00 0.04 0.00 0.00 61.00 62.50 3dti s PRO 212 Cb -1.16 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 31.58 3dti s PRO 212 CO 0.67 -2.01 0.06 0.08 0.04 0.00 0.00 177.00 175.84 3dti s VAL 213 N -3.19 0.24 0.35 -0.36 1.01 0.48 -4.83 120.40 114.10 3dti s VAL 213 Ca 0.63 -0.34 -0.25 0.00 0.00 0.00 0.00 61.98 62.01 3dti s VAL 213 Cb -0.15 -0.80 -0.13 0.00 0.00 0.00 0.00 36.38 35.30 3dti s VAL 213 CO 0.54 -0.21 0.79 -2.65 0.00 0.00 0.00 175.10 173.57 3dti n PRO 214 N 5.16 0.92 0.23 2.72 -0.02 -1.26 -4.88 135.00 137.86 3dti n PRO 214 Ca -0.08 0.33 0.16 0.00 -2.02 0.00 0.00 63.50 61.88 3dti n PRO 214 Cb 0.48 -1.67 0.65 0.00 -0.02 0.00 0.00 33.50 32.94 3dti n PRO 214 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3dti h ASP 215 N 1.36 0.00 1.86 2.55 3.32 -2.00 -2.31 116.42 121.20 3dti h ASP 215 Ca -0.39 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 3dti h ASP 215 Cb 1.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.92 3dti h ASP 215 CO 0.56 0.00 -0.14 -2.24 -1.72 0.00 0.00 179.24 175.70 3dti h ASP 216 N 0.00 0.00 -2.90 6.45 2.03 -2.01 -3.40 116.42 116.60 3dti h ASP 216 Ca 0.00 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.77 3dti h ASP 216 Cb 0.42 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 38.95 3dti h ASP 216 CO 0.00 0.06 0.81 -2.28 -1.03 0.00 0.00 179.24 176.81 3dti s HIS 217 N -3.19 3.13 0.40 4.15 2.46 -0.87 -4.89 115.29 116.48 3dti s HIS 217 Ca 0.06 0.76 0.26 0.00 0.47 0.00 0.00 55.06 56.61 3dti s HIS 217 Cb 0.06 -3.82 1.39 0.00 -0.13 0.00 0.00 32.58 30.08 3dti s HIS 217 CO 0.69 -2.97 1.59 -1.35 -2.47 0.00 0.00 174.74 170.23 3dti h PRO 218 N 6.84 0.04 -0.81 2.88 0.10 -1.89 0.14 132.00 139.30 3dti h PRO 218 Ca -0.42 -0.00 0.12 0.00 0.10 0.00 0.00 66.00 65.79 3dti h PRO 218 Cb 1.21 -0.01 -0.08 0.00 0.10 0.00 0.00 31.00 32.22 3dti h PRO 218 CO 0.89 0.03 0.43 0.00 0.10 0.00 0.00 178.00 179.45 3dti h ALA 219 N 1.80 1.17 0.18 -0.75 0.00 -1.92 -2.99 119.26 116.76 3dti h ALA 219 Ca 0.85 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.81 3dti h ALA 219 Cb 2.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.17 3dti h ALA 219 CO -0.61 -0.01 -0.09 0.00 0.00 0.00 0.00 179.25 178.55 3dti h ALA 220 N 1.49 -0.24 -1.56 0.00 0.00 -0.98 -2.94 119.26 115.03 3dti h ALA 220 Ca 0.41 -0.22 0.45 0.00 0.00 0.00 0.00 54.91 55.56 3dti h ALA 220 Cb 0.48 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3dti h ALA 220 CO -0.30 -0.38 1.24 -0.07 0.00 0.00 0.00 179.25 179.75 3dti h LEU 221 N -0.76 0.00 -0.25 0.00 3.38 -1.46 0.94 115.31 117.16 3dti h LEU 221 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dti h LEU 221 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3dti h LEU 221 CO 0.04 0.00 -0.18 0.00 0.09 0.00 0.00 178.44 178.39 3dti n ALA 222 N -2.71 2.89 -0.09 1.53 0.00 -1.11 -3.52 120.51 117.50 3dti n ALA 222 Ca 0.35 -0.30 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 3dti n ALA 222 Cb 1.72 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 3dti n ALA 222 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3dti n LEU 223 N -0.99 1.87 -0.54 0.00 0.00 0.32 -1.95 117.00 115.72 3dti n LEU 223 Ca 0.12 0.49 0.03 0.00 0.00 0.00 0.00 56.01 56.65 3dti n LEU 223 Cb 0.31 -0.85 0.10 0.00 0.00 0.00 0.00 43.42 42.98 3dti n LEU 223 CO 0.26 -0.19 0.55 -0.90 0.00 0.00 0.00 177.39 177.11 3dti n ASP 224 N -4.51 1.50 -0.27 1.96 5.75 -1.26 -1.83 116.55 117.90 3dti n ASP 224 Ca -0.18 -2.07 0.09 0.00 -0.01 0.00 0.00 54.79 52.62 3dti n ASP 224 Cb 0.47 -0.25 0.17 0.00 -1.03 0.00 0.00 41.12 40.47 3dti n ASP 224 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3dti n THR 225 N 0.16 1.99 -0.40 2.12 -2.24 -1.23 -5.01 114.28 109.68 3dti n THR 225 Ca 0.08 -2.31 0.00 0.00 -2.27 0.00 0.00 64.05 59.54 3dti n THR 225 Cb 0.27 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 3dti n THR 225 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3dti n ARG 226 N -1.27 -0.11 -3.88 -0.78 1.74 -0.76 -4.78 116.66 106.82 3dti n ARG 226 Ca 0.17 -0.05 -0.28 0.00 -0.77 0.00 0.00 57.85 56.92 3dti n ARG 226 Cb 0.69 0.10 -0.17 0.00 -1.02 0.00 0.00 32.46 32.06 3dti n ARG 226 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3dti s LEU 227 N -0.52 1.47 -0.25 0.55 2.96 -0.82 -4.97 118.68 117.10 3dti s LEU 227 Ca 0.00 -0.59 -0.28 0.00 -0.22 0.00 0.00 54.13 53.04 3dti s LEU 227 Cb 0.00 -0.86 -0.05 0.00 0.50 0.00 0.00 46.19 45.78 3dti s LEU 227 CO 0.00 -0.18 2.24 -2.84 -1.32 0.00 0.00 176.35 174.25 3dti s PRO 228 N 1.67 3.02 0.30 0.98 0.02 -1.26 -4.45 135.00 135.28 3dti s PRO 228 Ca 0.01 1.96 0.07 0.00 0.02 0.00 0.00 61.00 63.07 3dti s PRO 228 Cb -0.15 -4.40 -0.03 0.00 0.02 0.00 0.00 34.50 29.94 3dti s PRO 228 CO -0.08 -2.23 0.23 -0.51 -0.33 0.00 0.00 177.00 174.08 3dti s LEU 229 N 8.72 3.63 -0.30 -5.54 1.43 -1.20 -5.00 118.68 120.42 3dti s LEU 229 Ca 1.00 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 53.64 3dti s LEU 229 Cb -0.31 -2.19 0.19 0.00 0.03 0.00 0.00 46.19 43.90 3dti s LEU 229 CO 0.34 -0.21 0.64 0.00 0.23 0.00 0.00 176.35 177.36 3dti s ALA 230 N -2.25 -2.34 0.16 4.21 0.00 -1.26 -1.73 121.76 118.54 3dti s ALA 230 Ca 0.37 1.85 -0.24 0.00 0.00 0.00 0.00 51.96 53.94 3dti s ALA 230 Cb -0.06 -2.17 0.07 0.00 0.00 0.00 0.00 23.12 20.96 3dti s ALA 230 CO 0.25 -1.31 1.01 1.14 0.00 0.00 0.00 175.76 176.85 3dti s GLN 231 N 2.87 1.20 0.96 0.00 -2.07 -0.95 -5.03 119.66 116.63 3dti s GLN 231 Ca 0.17 -0.71 -0.14 0.00 -1.82 0.00 0.00 55.36 52.87 3dti s GLN 231 Cb -0.14 0.37 0.17 0.00 -1.09 0.00 0.00 33.01 32.32 3dti s GLN 231 CO -0.20 -0.55 1.17 -0.51 -1.32 0.00 0.00 175.29 173.87 3dti s ASP 232 N -3.13 3.11 0.00 12.60 1.11 -1.26 -2.12 116.67 126.98 3dti s ASP 232 Ca 0.16 0.78 0.00 0.00 0.18 0.00 0.00 52.55 53.67 3dti s ASP 232 Cb -0.01 -1.21 0.00 0.00 1.07 0.00 0.00 42.92 42.77 3dti s ASP 232 CO 0.03 -2.78 0.00 -0.24 1.18 0.00 0.00 175.17 173.36 3dti n SER 233 N -3.89 0.00 -3.75 0.27 2.88 -0.68 -4.78 113.62 103.67 3dti n SER 233 Ca 0.09 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.55 3dti n SER 233 Cb 0.59 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.03 3dti n SER 233 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 3dti s TYR 234 N -2.12 -0.24 -0.19 0.66 1.13 -1.25 -1.43 117.35 113.90 3dti s TYR 234 Ca 0.00 -0.14 -0.20 0.00 -1.41 0.00 0.00 57.07 55.31 3dti s TYR 234 Cb 0.00 0.62 -0.03 0.00 -1.10 0.00 0.00 41.96 41.45 3dti s TYR 234 CO 0.00 -1.10 0.61 0.08 -2.51 0.00 0.00 175.55 172.62 3dti s VAL 235 N -3.88 5.04 -1.27 -3.49 1.01 0.45 -4.86 120.40 113.40 3dti s VAL 235 Ca 0.09 1.14 -0.08 0.00 0.00 0.00 0.00 61.98 63.13 3dti s VAL 235 Cb -0.04 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 3dti s VAL 235 CO 0.01 0.14 2.72 -0.81 0.00 0.00 0.00 175.10 177.16 3dti n PRO 236 N 4.88 3.04 -1.70 2.72 -0.04 -1.26 -3.24 135.00 139.40 3dti n PRO 236 Ca -0.02 -1.85 -0.43 0.00 -0.04 0.00 0.00 63.50 61.15 3dti n PRO 236 Cb 0.50 -2.62 -0.03 0.00 -0.04 0.00 0.00 33.50 31.31 3dti n PRO 236 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dti n PHE 237 N 3.68 2.60 0.28 0.54 3.72 -1.25 -4.82 117.46 122.21 3dti n PHE 237 Ca 0.65 0.11 0.12 0.00 -0.05 0.00 0.00 57.45 58.28 3dti n PHE 237 Cb 0.25 -2.63 0.58 0.00 -0.94 0.00 0.00 39.48 36.73 3dti n PHE 237 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 3dti h ARG 238 N 6.47 0.00 -0.74 -1.08 0.11 -1.90 -0.27 114.38 116.97 3dti h ARG 238 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 3dti h ARG 238 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 3dti h ARG 238 CO 0.93 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 179.87 3dti n SER 239 N -2.32 0.74 0.00 0.08 3.41 -1.26 -4.85 113.62 109.41 3dti n SER 239 Ca 0.00 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 3dti n SER 239 Cb 0.13 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 3dti n SER 239 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dti n GLY 240 N 0.12 1.71 3.62 5.00 0.00 -0.11 -4.93 105.19 110.59 3dti n GLY 240 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3dti n GLY 240 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dti s ARG 241 N 0.00 3.72 -0.46 1.61 3.52 -1.25 -4.83 118.95 121.26 3dti s ARG 241 Ca 0.00 1.32 -0.27 0.00 -0.13 0.00 0.00 55.73 56.65 3dti s ARG 241 Cb 0.00 -4.01 0.03 0.00 -1.56 0.00 0.00 34.95 29.41 3dti s ARG 241 CO 0.00 -1.38 1.03 1.03 -0.81 0.00 0.00 175.30 175.17 3dti s ARG 242 N 4.72 3.64 -0.11 5.12 0.52 -1.26 -3.97 118.95 127.61 3dti s ARG 242 Ca 0.65 0.38 -0.09 0.00 -0.52 0.00 0.00 55.73 56.16 3dti s ARG 242 Cb -0.19 -3.91 -0.04 0.00 0.52 0.00 0.00 34.95 31.32 3dti s ARG 242 CO 0.29 -1.29 0.20 1.41 0.02 0.00 0.00 175.30 175.93 3dti s MET 243 N 4.08 3.64 0.41 3.54 -2.45 -1.20 -4.90 119.30 122.42 3dti s MET 243 Ca 0.42 -0.03 -0.08 0.00 -1.25 0.00 0.00 55.69 54.76 3dti s MET 243 Cb -0.09 -3.23 -0.06 0.00 1.25 0.00 0.00 34.83 32.71 3dti s MET 243 CO 0.28 0.69 0.74 -1.25 1.05 0.00 0.00 175.02 176.53 3dti s PRO 244 N -0.82 3.70 0.00 4.11 0.04 -1.26 0.17 135.00 140.93 3dti s PRO 244 Ca 0.16 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.53 3dti s PRO 244 Cb -0.13 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.98 3dti s PRO 244 CO 0.05 -0.04 0.00 0.00 0.04 0.00 0.00 177.00 177.05 3dti n ALA 245 N -1.48 0.00 -2.60 8.56 0.00 -0.52 -4.60 120.51 119.87 3dti n ALA 245 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.07 3dti n ALA 245 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 3dti n ALA 245 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3dti s TYR 246 N -2.00 3.61 -0.00 0.00 5.04 -0.99 -1.69 117.35 121.32 3dti s TYR 246 Ca 0.00 1.09 0.07 0.00 -2.44 0.00 0.00 57.07 55.79 3dti s TYR 246 Cb 0.00 -2.60 -0.02 0.00 0.35 0.00 0.00 41.96 39.68 3dti s TYR 246 CO 0.00 0.27 -0.22 0.08 -1.34 0.00 0.00 175.55 174.34 3dti s VAL 247 N 0.18 2.41 -0.13 3.14 1.01 -0.90 0.29 120.40 126.40 3dti s VAL 247 Ca 0.30 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 3dti s VAL 247 Cb -0.17 -1.91 0.04 0.00 0.00 0.00 0.00 36.38 34.34 3dti s VAL 247 CO 0.15 0.50 -0.01 -0.62 0.00 0.00 0.00 175.10 175.12 3dti s ASP 248 N -0.88 2.23 0.02 3.32 -1.08 -0.81 -2.24 116.67 117.23 3dti s ASP 248 Ca 0.11 -0.40 -0.00 0.00 -0.52 0.00 0.00 52.55 51.74 3dti s ASP 248 Cb -0.10 -0.63 -0.04 0.00 -1.46 0.00 0.00 42.92 40.69 3dti s ASP 248 CO 0.01 -0.21 0.12 0.00 0.52 0.00 0.00 175.17 175.61 3dti s ALA 249 N 1.84 3.71 -0.16 3.66 0.00 -0.70 -1.74 121.76 128.37 3dti s ALA 249 Ca 0.03 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 3dti s ALA 249 Cb -0.14 -1.64 0.05 0.00 0.00 0.00 0.00 23.12 21.39 3dti s ALA 249 CO -0.07 0.73 0.05 0.12 0.00 0.00 0.00 175.76 176.59 3dti s PHE 250 N -1.31 0.68 0.39 0.00 5.36 0.60 -3.26 117.98 120.45 3dti s PHE 250 Ca 0.27 -0.54 -0.10 0.00 -0.96 0.00 0.00 56.93 55.60 3dti s PHE 250 Cb -0.12 -0.87 -0.06 0.00 -0.34 0.00 0.00 43.02 41.62 3dti s PHE 250 CO 0.19 -0.52 0.75 -1.25 -1.46 0.00 0.00 175.22 172.93 3dti s PRO 251 N 1.97 3.78 0.36 10.12 0.04 -1.26 -0.81 135.00 149.21 3dti s PRO 251 Ca 0.01 0.45 -0.11 0.00 0.04 0.00 0.00 61.00 61.39 3dti s PRO 251 Cb -0.16 -2.41 0.05 0.00 0.04 0.00 0.00 34.50 32.02 3dti s PRO 251 CO -0.08 -0.01 0.68 -0.85 0.04 0.00 0.00 177.00 176.79 3dti n GLU 252 N -1.21 0.98 -0.37 4.56 0.28 0.69 -4.93 120.64 120.65 3dti n GLU 252 Ca 0.02 -2.19 -0.00 0.00 -0.16 0.00 0.00 57.16 54.83 3dti n GLU 252 Cb 0.54 2.59 -0.00 0.00 1.43 0.00 0.00 31.44 35.99 3dti n GLU 252 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 3dti n ARG 253 N -0.51 0.00 0.00 3.44 1.85 -1.26 0.09 116.66 120.27 3dti n ARG 253 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 3dti n ARG 253 Cb 0.55 -0.36 0.00 0.00 -1.05 0.00 0.00 32.46 31.60 3dti n ARG 253 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 3dti n GLN 254 N 1.64 0.00 -4.18 2.89 -0.06 -1.26 -5.00 117.38 111.41 3dti n GLN 254 Ca 0.01 0.00 -0.16 0.00 -2.00 0.00 0.00 57.00 54.85 3dti n GLN 254 Cb 0.17 -0.74 -0.11 0.00 -4.06 0.00 0.00 30.24 25.50 3dti n GLN 254 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3dti s ARG 255 N -0.43 0.86 -0.06 3.69 0.52 0.11 -4.23 118.95 119.42 3dti s ARG 255 Ca 0.00 -1.11 0.04 0.00 -0.52 0.00 0.00 55.73 54.14 3dti s ARG 255 Cb 0.00 -0.66 -0.00 0.00 0.52 0.00 0.00 34.95 34.81 3dti s ARG 255 CO 0.00 0.12 -0.18 0.54 0.02 0.00 0.00 175.30 175.80 3dti s VAL 256 N -2.09 1.52 -0.03 3.52 0.11 -0.71 0.25 120.40 122.98 3dti s VAL 256 Ca 0.04 -0.75 -0.02 0.00 -2.93 0.00 0.00 61.98 58.32 3dti s VAL 256 Cb -0.05 -1.32 -0.04 0.00 -1.53 0.00 0.00 36.38 33.44 3dti s VAL 256 CO 0.01 0.44 0.10 -0.76 -3.33 0.00 0.00 175.10 171.56 3dti s LEU 257 N 0.18 4.02 -0.14 2.54 1.02 0.01 -1.88 118.68 124.44 3dti s LEU 257 Ca -0.08 0.22 -0.07 0.00 0.02 0.00 0.00 54.13 54.22 3dti s LEU 257 Cb -0.13 -2.27 0.06 0.00 0.02 0.00 0.00 46.19 43.86 3dti s LEU 257 CO 0.04 0.30 0.32 -0.69 0.02 0.00 0.00 176.35 176.33 3dti s VAL 258 N -1.17 -0.10 -0.29 -1.59 1.01 -0.72 -0.29 120.40 117.24 3dti s VAL 258 Ca 0.22 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 3dti s VAL 258 Cb -0.12 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.80 3dti s VAL 258 CO 0.13 0.06 0.01 -0.94 0.00 0.00 0.00 175.10 174.35 3dti s SER 259 N 1.50 4.83 -0.24 3.32 1.04 -0.71 -1.17 113.70 122.27 3dti s SER 259 Ca -0.08 -1.05 -0.12 0.00 0.48 0.00 0.00 55.95 55.18 3dti s SER 259 Cb -0.10 -1.75 -0.05 0.00 0.10 0.00 0.00 66.02 64.23 3dti s SER 259 CO -0.10 -0.22 0.24 -0.36 0.98 0.00 0.00 173.24 173.77 3dti s PHE 260 N 1.34 3.30 -0.36 5.02 0.08 0.12 -1.93 117.98 125.56 3dti s PHE 260 Ca -0.02 0.31 -0.03 0.00 0.12 0.00 0.00 56.93 57.31 3dti s PHE 260 Cb -0.18 -2.37 0.08 0.00 -0.57 0.00 0.00 43.02 39.97 3dti s PHE 260 CO -0.01 -0.02 0.12 0.00 -0.10 0.00 0.00 175.22 175.21 3dti s ALA 261 N 1.33 3.02 0.06 5.36 0.00 0.14 0.91 121.76 132.58 3dti s ALA 261 Ca 0.11 -2.15 -0.26 0.00 0.00 0.00 0.00 51.96 49.65 3dti s ALA 261 Cb -0.14 -2.22 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 3dti s ALA 261 CO 0.07 -1.55 0.82 -0.51 0.00 0.00 0.00 175.76 174.59 3dti s LEU 262 N 1.22 4.46 0.00 0.00 1.43 -0.75 -2.34 118.68 122.69 3dti s LEU 262 Ca 0.02 1.53 0.24 0.00 -1.03 0.00 0.00 54.13 54.90 3dti s LEU 262 Cb -0.21 -3.32 0.22 0.00 0.03 0.00 0.00 46.19 42.91 3dti s LEU 262 CO -0.02 -0.01 1.28 -0.81 0.23 0.00 0.00 176.35 177.02