#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rke s HIS -2 N 0.00 2.38 -0.22 -1.40 2.46 -1.26 -5.10 115.29 112.14 1rke s HIS -2 Ca 0.00 -0.34 -0.29 0.00 0.47 0.00 0.00 55.06 54.89 1rke s HIS -2 Cb 0.00 -1.28 0.00 0.00 -0.13 0.00 0.00 32.58 31.17 1rke s HIS -2 CO 0.00 0.35 1.11 -1.01 -2.47 0.00 0.00 174.74 172.72 1rke s HIS -1 N -1.08 3.16 0.18 3.88 0.09 -1.26 -5.03 115.29 115.23 1rke s HIS -1 Ca 0.15 1.29 -0.20 0.00 -0.00 0.00 0.00 55.06 56.31 1rke s HIS -1 Cb -0.10 -3.40 -0.08 0.00 -0.00 0.00 0.00 32.58 29.00 1rke s HIS -1 CO 0.07 -0.89 0.68 -1.01 -0.00 0.00 0.00 174.74 173.59 1rke s HIS 0 N 3.37 3.71 0.88 1.40 3.76 -1.26 -5.04 115.29 122.12 1rke s HIS 0 Ca 0.48 1.37 -0.10 0.00 -0.15 0.00 0.00 55.06 56.65 1rke s HIS 0 Cb -0.17 -2.59 0.13 0.00 1.11 0.00 0.00 32.58 31.06 1rke s HIS 0 CO 0.10 0.42 1.12 0.00 -0.85 0.00 0.00 174.74 175.53 1rke s MET 1 N -1.68 1.30 0.82 1.40 0.00 -1.26 -5.00 119.30 114.87 1rke s MET 1 Ca 0.39 1.32 -0.11 0.00 0.00 0.00 0.00 55.69 57.29 1rke s MET 1 Cb -0.18 -1.78 0.08 0.00 0.00 0.00 0.00 34.83 32.96 1rke s MET 1 CO 0.21 -2.36 1.09 -2.14 0.00 0.00 0.00 175.02 171.82 1rke s PRO 2 N -4.74 1.88 0.08 3.16 0.02 -1.26 -4.85 135.00 129.29 1rke s PRO 2 Ca 0.65 0.84 -0.18 0.00 0.02 0.00 0.00 61.00 62.33 1rke s PRO 2 Cb -0.21 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.35 1rke s PRO 2 CO 0.58 -1.81 1.47 0.28 -0.33 0.00 0.00 177.00 177.18 1rke h VAL 3 N -1.24 1.29 -3.56 3.83 2.07 -1.98 -3.40 116.25 113.27 1rke h VAL 3 Ca -0.47 -1.12 -0.70 0.00 0.82 0.00 0.00 66.70 65.23 1rke h VAL 3 Cb 1.26 1.49 -0.20 0.00 -1.52 0.00 0.00 31.29 32.32 1rke h VAL 3 CO 0.56 0.35 -0.39 -0.36 0.02 0.00 0.00 177.57 177.74 1rke s PHE 4 N -4.71 3.22 -2.01 1.57 0.40 -1.26 -4.67 117.98 110.53 1rke s PHE 4 Ca -0.13 -0.44 0.27 0.00 -0.60 0.00 0.00 56.93 56.03 1rke s PHE 4 Cb 0.07 -2.62 0.80 0.00 0.51 0.00 0.00 43.02 41.78 1rke s PHE 4 CO 0.77 -0.55 1.59 -2.39 0.70 0.00 0.00 175.22 175.34 1rke n HIS 5 N 5.24 0.00 -4.19 0.36 1.44 -1.26 -4.75 115.22 112.06 1rke n HIS 5 Ca -0.11 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.41 1rke n HIS 5 Cb 0.48 -0.08 -0.12 0.00 0.12 0.00 0.00 29.99 30.39 1rke n HIS 5 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1rke s THR 6 N -2.34 1.21 0.38 0.61 -4.23 -1.26 -1.95 115.64 108.05 1rke s THR 6 Ca 0.28 -1.37 0.04 0.00 -1.18 0.00 0.00 61.69 59.46 1rke s THR 6 Cb 0.20 -1.17 0.27 0.00 1.34 0.00 0.00 72.50 73.13 1rke s THR 6 CO 0.46 -0.22 2.03 0.03 -0.54 0.00 0.00 174.62 176.38 1rke h ARG 7 N 4.19 0.71 -0.37 3.99 3.08 -1.05 -2.74 114.38 122.19 1rke h ARG 7 Ca -0.41 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.56 1rke h ARG 7 Cb 1.19 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1rke h ARG 7 CO 0.41 0.47 0.10 1.15 -1.07 0.00 0.00 179.97 181.03 1rke h THR 8 N 0.73 1.22 -0.13 2.04 2.02 -1.96 -0.11 112.91 116.71 1rke h THR 8 Ca 0.20 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.67 1rke h THR 8 Cb -0.06 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1rke h THR 8 CO -0.05 0.25 0.04 0.40 0.37 0.00 0.00 175.52 176.53 1rke h ILE 9 N 0.45 0.96 -0.25 3.11 2.04 -1.89 -2.12 117.51 119.80 1rke h ILE 9 Ca 0.12 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 1rke h ILE 9 Cb 0.28 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1rke h ILE 9 CO -0.00 0.02 0.14 -0.08 0.00 0.00 0.00 178.15 178.23 1rke h GLU 10 N 0.10 0.35 -0.27 2.37 4.81 -1.37 -2.48 114.58 118.09 1rke h GLU 10 Ca 0.06 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 1rke h GLU 10 Cb 0.04 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1rke h GLU 10 CO -0.07 0.30 -0.30 0.66 -0.73 0.00 0.00 179.01 178.88 1rke h SER 11 N 0.30 0.56 0.11 1.04 4.64 -0.97 -1.54 113.55 117.69 1rke h SER 11 Ca 0.09 -0.21 -0.22 0.00 -0.47 0.00 0.00 61.79 60.97 1rke h SER 11 Cb 0.06 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1rke h SER 11 CO -0.01 0.84 -0.86 0.40 -0.87 0.00 0.00 176.83 176.32 1rke h ILE 12 N 0.47 1.33 -0.03 0.95 2.04 -1.33 -3.35 117.51 117.60 1rke h ILE 12 Ca 0.06 -2.19 -0.26 0.00 1.00 0.00 0.00 64.86 63.47 1rke h ILE 12 Cb 0.76 2.21 0.02 0.00 -0.74 0.00 0.00 36.82 39.06 1rke h ILE 12 CO 0.06 0.67 -1.00 -0.07 0.00 0.00 0.00 178.15 177.82 1rke h LEU 13 N 0.37 0.90 -0.46 1.44 3.38 -1.44 -3.30 115.31 116.20 1rke h LEU 13 Ca -0.07 -0.70 0.09 0.00 0.09 0.00 0.00 57.88 57.29 1rke h LEU 13 Cb 1.48 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.86 1rke h LEU 13 CO 0.16 1.50 -0.30 -0.08 0.09 0.00 0.00 178.44 179.81 1rke h GLU 14 N 0.41 -0.19 -0.19 1.13 4.81 -1.40 0.11 114.58 119.26 1rke h GLU 14 Ca -0.11 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.01 1rke h GLU 14 Cb 1.64 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.06 1rke h GLU 14 CO 0.20 -0.13 -0.38 -1.00 -0.73 0.00 0.00 179.01 176.97 1rke h PRO 15 N -0.20 0.42 -0.84 0.92 0.13 -1.73 -0.81 132.00 129.89 1rke h PRO 15 Ca 0.20 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1rke h PRO 15 Cb 0.52 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.61 1rke h PRO 15 CO -0.57 0.74 0.50 0.28 -0.23 0.00 0.00 178.00 178.72 1rke h VAL 16 N 0.36 1.24 -0.07 1.56 2.07 -1.49 -1.45 116.25 118.46 1rke h VAL 16 Ca 0.04 -0.54 -0.14 0.00 0.82 0.00 0.00 66.70 66.87 1rke h VAL 16 Cb 0.83 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1rke h VAL 16 CO 0.07 0.25 -0.60 0.00 0.02 0.00 0.00 177.57 177.32 1rke h ALA 17 N 1.27 0.86 0.05 1.67 0.00 -0.53 -0.34 119.26 122.24 1rke h ALA 17 Ca 0.30 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1rke h ALA 17 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1rke h ALA 17 CO -0.05 0.72 -0.03 0.37 0.00 0.00 0.00 179.25 180.26 1rke h GLN 18 N 0.17 -0.07 -0.33 0.00 4.15 -0.81 0.17 115.11 118.39 1rke h GLN 18 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1rke h GLN 18 Cb 1.10 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.79 1rke h GLN 18 CO 0.09 0.12 0.18 1.96 -1.93 0.00 0.00 178.83 179.25 1rke h GLN 19 N -0.25 0.46 -0.82 1.69 4.20 -1.17 -2.59 115.11 116.62 1rke h GLN 19 Ca -0.01 -0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.70 1rke h GLN 19 Cb 0.23 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 1rke h GLN 19 CO 0.01 0.40 0.54 0.82 -0.67 0.00 0.00 178.83 179.93 1rke h ILE 20 N 0.41 1.08 -0.86 2.54 1.08 -0.99 -2.51 117.51 118.25 1rke h ILE 20 Ca 0.12 -0.33 0.11 0.00 -0.39 0.00 0.00 64.86 64.37 1rke h ILE 20 Cb 0.07 0.05 -0.06 0.00 -3.07 0.00 0.00 36.82 33.81 1rke h ILE 20 CO -0.02 0.17 0.56 0.77 -0.69 0.00 0.00 178.15 178.95 1rke h SER 21 N 0.95 0.73 0.17 1.72 4.64 -0.54 -0.61 113.55 120.60 1rke h SER 21 Ca 0.34 0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.56 1rke h SER 21 Cb 0.15 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1rke h SER 21 CO -0.12 0.42 -0.49 1.12 -0.87 0.00 0.00 176.83 176.89 1rke h HIS 22 N 0.80 0.45 -0.57 4.77 2.07 -1.50 -1.81 115.15 119.36 1rke h HIS 22 Ca 0.41 -0.14 -0.11 0.00 -2.85 0.00 0.00 60.37 57.67 1rke h HIS 22 Cb 0.49 -0.09 -0.02 0.00 2.57 0.00 0.00 27.41 30.36 1rke h HIS 22 CO -0.00 0.79 -0.07 -0.07 -3.07 0.00 0.00 177.93 175.51 1rke h LEU 23 N 0.30 1.05 -0.82 6.12 3.38 -1.23 -2.28 115.31 121.83 1rke h LEU 23 Ca 0.02 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 1rke h LEU 23 Cb 0.97 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1rke h LEU 23 CO 0.08 1.14 -0.06 0.58 0.09 0.00 0.00 178.44 180.27 1rke h VAL 24 N 0.94 1.25 -0.34 1.22 2.07 -0.95 -0.99 116.25 119.46 1rke h VAL 24 Ca 0.15 -1.11 -0.10 0.00 0.82 0.00 0.00 66.70 66.46 1rke h VAL 24 Cb 0.64 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1rke h VAL 24 CO 0.04 0.39 -0.18 0.40 0.02 0.00 0.00 177.57 178.24 1rke h ILE 25 N 0.75 1.29 -0.39 4.57 2.04 -1.12 -2.42 117.51 122.23 1rke h ILE 25 Ca 0.14 -1.30 -0.14 0.00 1.00 0.00 0.00 64.86 64.56 1rke h ILE 25 Cb 0.54 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1rke h ILE 25 CO 0.03 0.42 -0.32 0.24 0.00 0.00 0.00 178.15 178.53 1rke h MET 26 N 0.51 0.86 -0.89 2.37 2.86 -1.37 -1.54 114.93 117.73 1rke h MET 26 Ca 0.08 -0.41 0.07 0.00 -2.06 0.00 0.00 59.70 57.38 1rke h MET 26 Cb 0.72 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.31 1rke h MET 26 CO 0.05 1.05 0.58 1.25 1.06 0.00 0.00 176.91 180.90 1rke h HIS 27 N 0.72 1.01 0.00 -0.22 -0.00 -1.10 -1.09 115.15 114.48 1rke h HIS 27 Ca 0.08 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.39 1rke h HIS 27 Cb 0.87 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.94 1rke h HIS 27 CO 0.05 0.51 -0.56 1.49 -0.00 0.00 0.00 177.93 179.42 1rke h GLU 28 N 0.98 0.00 -0.02 5.26 4.81 -1.24 -1.94 114.58 122.42 1rke h GLU 28 Ca 0.39 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.47 1rke h GLU 28 Cb 0.24 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1rke h GLU 28 CO -0.15 0.33 -0.68 0.93 -0.73 0.00 0.00 179.01 178.71 1rke h GLU 29 N 0.00 0.11 0.31 1.92 5.08 -0.68 0.16 114.58 121.49 1rke h GLU 29 Ca -0.03 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1rke h GLU 29 Cb 1.30 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1rke h GLU 29 CO 0.04 0.75 -0.15 0.78 -1.00 0.00 0.00 179.01 179.43 1rke h GLY 30 N 1.80 -0.44 0.09 -3.84 0.00 -1.16 0.27 103.07 99.79 1rke h GLY 30 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1rke h GLY 30 CO 0.10 -0.16 -0.25 0.83 0.00 0.00 0.00 176.54 177.06 1rke h GLU 31 N -0.70 -0.37 0.36 4.80 5.08 -1.41 0.54 114.58 122.89 1rke h GLU 31 Ca -0.04 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1rke h GLU 31 Cb 0.32 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1rke h GLU 31 CO 0.07 -0.24 -0.17 0.28 -1.00 0.00 0.00 179.01 177.94 1rke h VAL 32 N -0.38 0.34 0.00 3.13 2.07 -0.84 -3.34 116.25 117.23 1rke h VAL 32 Ca -0.01 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 1rke h VAL 32 Cb 0.37 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1rke h VAL 32 CO -0.12 0.08 -0.17 0.44 0.02 0.00 0.00 177.57 177.82 1rke h ASP 33 N -1.02 0.00 -0.25 0.57 3.32 -1.38 -3.48 116.42 114.18 1rke h ASP 33 Ca -0.05 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 1rke h ASP 33 Cb 0.50 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1rke h ASP 33 CO 0.08 0.17 -0.07 0.61 -1.72 0.00 0.00 179.24 178.31 1rke n GLY 34 N 1.07 0.53 3.81 2.75 0.00 0.19 -4.96 105.19 108.59 1rke n GLY 34 Ca 0.03 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 1rke n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rke s LYS 35 N -2.80 3.57 -0.10 1.61 1.02 -0.82 -4.93 119.74 117.29 1rke s LYS 35 Ca 0.00 1.19 -0.30 0.00 0.02 0.00 0.00 55.97 56.88 1rke s LYS 35 Cb 0.00 -2.07 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 1rke s LYS 35 CO 0.00 -0.60 1.44 0.00 -0.92 0.00 0.00 175.35 175.27 1rke s ALA 36 N -2.38 3.64 0.10 5.17 0.00 -1.26 -4.19 121.76 122.83 1rke s ALA 36 Ca 0.63 0.69 -0.31 0.00 0.00 0.00 0.00 51.96 52.98 1rke s ALA 36 Cb -0.15 -3.67 -0.07 0.00 0.00 0.00 0.00 23.12 19.23 1rke s ALA 36 CO 0.32 -1.24 1.34 0.42 0.00 0.00 0.00 175.76 176.59 1rke s ILE 37 N 3.61 3.51 1.15 0.00 1.01 -0.92 -5.00 121.20 124.56 1rke s ILE 37 Ca 0.63 1.08 -0.19 0.00 0.00 0.00 0.00 60.65 62.17 1rke s ILE 37 Cb -0.27 -3.69 0.28 0.00 0.01 0.00 0.00 42.46 38.79 1rke s ILE 37 CO 0.22 0.08 1.14 -0.81 0.00 0.00 0.00 174.94 175.57 1rke n PRO 38 N 3.97 -2.65 -1.95 2.79 -0.04 -1.26 -4.67 135.00 131.19 1rke n PRO 38 Ca 0.11 -1.81 -0.43 0.00 -0.04 0.00 0.00 63.50 61.34 1rke n PRO 38 Cb 0.43 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 1rke n PRO 38 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1rke s ASP 39 N -4.78 6.26 0.00 3.54 3.68 -1.26 -4.87 116.67 119.24 1rke s ASP 39 Ca 0.71 1.88 0.23 0.00 2.13 0.00 0.00 52.55 57.51 1rke s ASP 39 Cb -0.06 -2.53 0.60 0.00 -1.45 0.00 0.00 42.92 39.49 1rke s ASP 39 CO 0.53 -1.32 1.51 0.18 0.13 0.00 0.00 175.17 176.21 1rke n LEU 40 N 8.74 3.84 -0.21 -1.34 4.77 -1.26 -4.52 117.00 127.01 1rke n LEU 40 Ca 0.21 -1.86 0.01 0.00 -0.03 0.00 0.00 56.01 54.34 1rke n LEU 40 Cb 0.44 -0.44 0.11 0.00 -2.33 0.00 0.00 43.42 41.20 1rke n LEU 40 CO 0.65 0.93 0.82 0.74 -1.33 0.00 0.00 177.39 179.20 1rke h THR 41 N 4.35 0.45 0.03 -5.08 2.02 -1.89 -0.70 112.91 112.08 1rke h THR 41 Ca 0.00 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1rke h THR 41 Cb 0.99 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1rke h THR 41 CO 0.00 0.02 -0.01 0.00 0.37 0.00 0.00 175.52 175.90 1rke h ALA 42 N 1.60 -0.03 -0.53 6.16 0.00 -2.00 -1.41 119.26 123.05 1rke h ALA 42 Ca 0.33 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1rke h ALA 42 Cb 0.55 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1rke h ALA 42 CO -0.57 -0.22 0.35 -1.35 0.00 0.00 0.00 179.25 177.46 1rke h PRO 43 N -0.63 0.61 -0.02 0.00 0.10 -1.83 -0.80 132.00 129.42 1rke h PRO 43 Ca -0.00 -0.04 -0.16 0.00 0.10 0.00 0.00 66.00 65.90 1rke h PRO 43 Cb 0.58 -0.14 -0.01 0.00 0.10 0.00 0.00 31.00 31.53 1rke h PRO 43 CO 0.01 0.40 -0.73 0.28 0.10 0.00 0.00 178.00 178.06 1rke h VAL 44 N 0.62 1.47 -0.42 3.15 2.07 -1.12 -0.88 116.25 121.14 1rke h VAL 44 Ca 0.21 -2.35 -0.08 0.00 0.82 0.00 0.00 66.70 65.30 1rke h VAL 44 Cb 0.07 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1rke h VAL 44 CO -0.05 0.68 -0.06 0.00 0.02 0.00 0.00 177.57 178.16 1rke h ALA 45 N 1.16 0.57 -0.21 1.67 0.00 -0.22 -0.84 119.26 121.39 1rke h ALA 45 Ca -0.02 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1rke h ALA 45 Cb 1.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1rke h ALA 45 CO 0.11 0.41 0.12 0.00 0.00 0.00 0.00 179.25 179.88 1rke h ALA 46 N 0.87 0.26 -0.29 0.00 0.00 -1.11 -0.30 119.26 118.70 1rke h ALA 46 Ca 0.11 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1rke h ALA 46 Cb 0.57 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1rke h ALA 46 CO 0.03 -0.22 -0.08 0.28 0.00 0.00 0.00 179.25 179.27 1rke h VAL 47 N 0.24 0.70 -0.54 0.00 2.07 -1.03 -1.79 116.25 115.91 1rke h VAL 47 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 1rke h VAL 47 Cb 0.05 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1rke h VAL 47 CO -0.01 0.00 0.27 1.56 0.02 0.00 0.00 177.57 179.41 1rke h GLN 48 N -0.00 0.50 -1.00 1.57 4.20 -0.84 -2.14 115.11 117.41 1rke h GLN 48 Ca 0.14 -0.03 0.13 0.00 0.06 0.00 0.00 58.65 58.95 1rke h GLN 48 Cb 0.22 -0.11 -0.09 0.00 0.30 0.00 0.00 27.48 27.80 1rke h GLN 48 CO -0.30 0.33 0.63 0.00 -0.67 0.00 0.00 178.83 178.81 1rke h ALA 49 N 1.30 1.58 0.00 3.87 0.00 -0.33 0.33 119.26 126.01 1rke h ALA 49 Ca 0.24 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1rke h ALA 49 Cb 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1rke h ALA 49 CO -0.17 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.23 1rke h ALA 50 N 1.56 1.00 0.00 0.00 0.00 -0.64 -3.29 119.26 117.89 1rke h ALA 50 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1rke h ALA 50 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1rke h ALA 50 CO -0.28 0.00 -0.94 1.55 0.00 0.00 0.00 179.25 179.59 1rke n VAL 51 N -3.04 0.00 -0.10 0.00 3.14 -0.81 -4.61 118.33 112.91 1rke n VAL 51 Ca -0.01 0.00 0.24 0.00 -2.96 0.00 0.00 64.34 61.61 1rke n VAL 51 Cb 0.17 -0.60 0.70 0.00 -1.06 0.00 0.00 33.84 33.05 1rke n VAL 51 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1rke h SER 52 N 0.00 0.03 0.07 6.55 0.02 -1.02 0.20 113.55 119.40 1rke h SER 52 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rke h SER 52 Cb 0.71 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1rke h SER 52 CO 0.00 0.01 -0.04 0.78 -1.14 0.00 0.00 176.83 176.45 1rke h ASN 53 N 0.03 -0.08 -0.84 3.07 2.35 -1.83 0.15 115.58 118.42 1rke h ASN 53 Ca 0.35 -0.31 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1rke h ASN 53 Cb 1.36 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 39.71 1rke h ASN 53 CO -0.01 0.27 0.55 0.25 -1.65 0.00 0.00 177.43 176.84 1rke h LEU 54 N -0.45 0.97 -0.25 1.61 5.85 -1.19 1.26 115.31 123.10 1rke h LEU 54 Ca -0.01 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1rke h LEU 54 Cb 0.39 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1rke h LEU 54 CO 0.02 0.71 -0.01 0.58 -0.34 0.00 0.00 178.44 179.39 1rke h VAL 55 N 1.14 1.26 0.63 1.05 2.07 -0.67 -1.17 116.25 120.57 1rke h VAL 55 Ca 0.31 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1rke h VAL 55 Cb -0.12 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1rke h VAL 55 CO -0.07 0.30 -0.43 -0.09 0.02 0.00 0.00 177.57 177.30 1rke h ARG 56 N 0.22 -0.97 0.00 1.57 2.43 0.14 -0.99 114.38 116.77 1rke h ARG 56 Ca 0.07 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1rke h ARG 56 Cb 0.44 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1rke h ARG 56 CO 0.02 -0.65 0.00 0.28 -1.51 0.00 0.00 179.97 178.11 1rke h VAL 57 N -1.01 0.00 0.00 0.20 2.07 0.15 -0.38 116.25 117.29 1rke h VAL 57 Ca -0.08 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1rke h VAL 57 Cb 0.82 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1rke h VAL 57 CO 0.06 0.00 -1.29 0.61 0.02 0.00 0.00 177.57 176.98 1rke n GLY 58 N -1.09 -1.22 0.06 2.17 0.00 -0.44 -3.71 105.19 100.96 1rke n GLY 58 Ca -0.02 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.74 1rke n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rke n LYS 59 N -2.24 0.22 -0.64 1.61 5.02 -0.20 -2.95 118.16 118.98 1rke n LYS 59 Ca -0.00 0.09 0.06 0.00 -2.02 0.00 0.00 58.31 56.44 1rke n LYS 59 Cb 0.50 -1.67 0.31 0.00 -0.02 0.00 0.00 35.03 34.15 1rke n LYS 59 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1rke n GLU 60 N -2.00 3.80 -0.01 1.97 1.02 -0.94 -3.76 120.64 120.73 1rke n GLU 60 Ca 0.04 -2.38 -0.01 0.00 -0.02 0.00 0.00 57.16 54.80 1rke n GLU 60 Cb 0.41 -2.01 -0.01 0.00 -0.02 0.00 0.00 31.44 29.81 1rke n GLU 60 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1rke n THR 61 N 0.57 0.07 1.59 2.62 -1.04 -1.15 -4.03 114.28 112.91 1rke n THR 61 Ca 0.21 -0.04 0.06 0.00 -2.04 0.00 0.00 64.05 62.24 1rke n THR 61 Cb 0.92 -0.93 0.38 0.00 -1.82 0.00 0.00 70.33 68.88 1rke n THR 61 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1rke n VAL 62 N -2.09 0.00 -0.47 12.58 0.31 -1.23 -0.67 118.33 126.76 1rke n VAL 62 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1rke n VAL 62 Cb 0.53 -0.35 0.00 0.00 -0.91 0.00 0.00 33.84 33.11 1rke n VAL 62 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rke n GLN 63 N -0.75 1.23 0.00 5.55 10.64 -1.26 -4.75 117.38 128.04 1rke n GLN 63 Ca 0.09 -0.90 0.00 0.00 -1.83 0.00 0.00 57.00 54.37 1rke n GLN 63 Cb 0.04 -0.77 0.00 0.00 -0.86 0.00 0.00 30.24 28.66 1rke n GLN 63 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1rke n THR 64 N -0.22 0.00 -4.37 -0.39 -1.04 -0.65 -5.06 114.28 102.55 1rke n THR 64 Ca 0.00 -0.03 -0.26 0.00 -2.04 0.00 0.00 64.05 61.72 1rke n THR 64 Cb 0.32 1.90 -0.09 0.00 -1.82 0.00 0.00 70.33 70.64 1rke n THR 64 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1rke s THR 65 N -0.00 2.27 -0.11 12.58 -1.32 0.15 -5.01 115.64 124.19 1rke s THR 65 Ca 0.00 -1.89 0.05 0.00 -1.21 0.00 0.00 61.69 58.63 1rke s THR 65 Cb 0.00 -2.93 -0.06 0.00 -1.51 0.00 0.00 72.50 67.99 1rke s THR 65 CO 0.00 -0.06 0.15 -0.62 -2.21 0.00 0.00 174.62 171.88 1rke n GLU 66 N -1.06 2.88 -1.67 7.08 1.02 -1.26 -4.95 120.64 122.69 1rke n GLU 66 Ca -0.03 -0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.66 1rke n GLU 66 Cb 0.65 -0.91 -0.03 0.00 -0.02 0.00 0.00 31.44 31.13 1rke n GLU 66 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1rke s ASP 67 N -1.97 5.85 0.30 1.62 2.15 -1.26 -4.89 116.67 118.47 1rke s ASP 67 Ca 0.00 2.11 0.12 0.00 0.43 0.00 0.00 52.55 55.21 1rke s ASP 67 Cb 0.03 -2.52 0.45 0.00 -0.30 0.00 0.00 42.92 40.58 1rke s ASP 67 CO 0.19 -1.62 1.66 1.56 -0.17 0.00 0.00 175.17 176.79 1rke h GLN 68 N 13.28 0.00 -0.28 4.34 1.08 -1.99 -1.87 115.11 129.66 1rke h GLN 68 Ca -0.43 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 56.69 1rke h GLN 68 Cb 1.23 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.65 1rke h GLN 68 CO 0.96 0.55 -0.14 0.82 -0.95 0.00 0.00 178.83 180.07 1rke h ILE 69 N 0.00 1.23 0.02 2.54 1.08 -1.99 -1.00 117.51 119.39 1rke h ILE 69 Ca -0.01 -1.04 -0.00 0.00 -0.39 0.00 0.00 64.86 63.42 1rke h ILE 69 Cb 1.01 1.17 0.00 0.00 -3.07 0.00 0.00 36.82 35.93 1rke h ILE 69 CO 0.07 0.34 -0.01 0.25 -0.69 0.00 0.00 178.15 178.11 1rke h LEU 70 N 0.45 -0.02 -1.51 1.44 5.85 -1.85 -0.71 115.31 118.96 1rke h LEU 70 Ca 0.08 -0.51 0.04 0.00 0.84 0.00 0.00 57.88 58.34 1rke h LEU 70 Cb 0.51 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1rke h LEU 70 CO 0.03 0.50 0.38 0.11 -0.34 0.00 0.00 178.44 179.13 1rke h LYS 71 N -0.55 0.61 0.32 1.25 6.56 -1.27 0.22 116.57 123.71 1rke h LYS 71 Ca -0.00 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.54 1rke h LYS 71 Cb 0.52 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 1rke h LYS 71 CO 0.00 0.40 -0.15 -0.09 -2.06 0.00 0.00 179.45 177.55 1rke h ARG 72 N 0.63 -0.42 -0.00 3.15 2.43 -1.10 -3.38 114.38 115.69 1rke h ARG 72 Ca 0.24 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1rke h ARG 72 Cb 0.16 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1rke h ARG 72 CO -0.07 -0.09 -0.30 -0.25 -1.51 0.00 0.00 179.97 177.76 1rke n ASP 73 N -5.10 0.44 -0.00 -3.80 8.00 -0.28 -4.16 116.55 111.64 1rke n ASP 73 Ca -0.09 -0.20 -0.13 0.00 0.71 0.00 0.00 54.79 55.09 1rke n ASP 73 Cb 0.27 0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.28 1rke n ASP 73 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1rke h MET 74 N 0.22 -0.01 -0.28 -1.24 4.05 -0.74 -3.28 114.93 113.64 1rke h MET 74 Ca 0.00 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.46 1rke h MET 74 Cb 0.48 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.24 1rke h MET 74 CO 0.00 0.43 0.03 -1.35 0.23 0.00 0.00 176.91 176.25 1rke h PRO 75 N -0.47 0.12 -0.40 0.39 0.11 -1.77 0.15 132.00 130.14 1rke h PRO 75 Ca -0.00 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.22 1rke h PRO 75 Cb 0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 1rke h PRO 75 CO 0.00 0.08 0.46 -1.35 -0.21 0.00 0.00 178.00 176.99 1rke h PRO 76 N 0.13 0.00 0.23 1.05 0.11 -1.78 -1.61 132.00 130.14 1rke h PRO 76 Ca 0.13 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.91 1rke h PRO 76 Cb 0.16 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.30 1rke h PRO 76 CO -0.20 0.00 -1.52 0.00 -0.21 0.00 0.00 178.00 176.07 1rke h ALA 77 N 1.45 -0.08 -0.33 -0.75 0.00 -0.78 -2.83 119.26 115.94 1rke h ALA 77 Ca 0.19 -0.92 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 1rke h ALA 77 Cb 1.11 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1rke h ALA 77 CO -0.00 0.78 0.08 0.74 0.00 0.00 0.00 179.25 180.85 1rke h PHE 78 N 0.14 0.55 -0.63 0.00 0.05 -0.87 -2.52 116.94 113.65 1rke h PHE 78 Ca -0.27 -0.06 0.03 0.00 3.82 0.00 0.00 57.97 61.49 1rke h PHE 78 Cb 2.15 -0.15 -0.03 0.00 2.00 0.00 0.00 35.95 39.91 1rke h PHE 78 CO 0.12 0.57 0.41 0.82 -0.18 0.00 0.00 178.31 180.05 1rke h ILE 79 N 0.37 1.09 -0.14 -0.55 2.04 -1.47 0.58 117.51 119.44 1rke h ILE 79 Ca 0.10 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1rke h ILE 79 Cb 0.29 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1rke h ILE 79 CO 0.00 0.14 -0.04 0.50 0.00 0.00 0.00 178.15 178.75 1rke h LYS 80 N 0.76 0.27 0.46 2.37 3.64 -1.31 -1.38 116.57 121.37 1rke h LYS 80 Ca 0.25 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1rke h LYS 80 Cb 0.05 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1rke h LYS 80 CO -0.07 0.56 -0.22 0.28 -2.27 0.00 0.00 179.45 177.74 1rke h VAL 81 N -0.04 0.55 -0.91 2.00 2.07 -1.08 -2.66 116.25 116.17 1rke h VAL 81 Ca 0.03 -0.11 0.13 0.00 0.82 0.00 0.00 66.70 67.58 1rke h VAL 81 Cb 0.46 0.60 -0.09 0.00 -1.52 0.00 0.00 31.29 30.75 1rke h VAL 81 CO 0.01 0.02 0.53 -0.33 0.02 0.00 0.00 177.57 177.83 1rke h GLU 82 N -0.68 0.78 -0.11 1.57 5.08 0.14 0.14 114.58 121.50 1rke h GLU 82 Ca -0.06 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1rke h GLU 82 Cb 0.51 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1rke h GLU 82 CO 0.10 0.52 -0.35 -0.91 -1.00 0.00 0.00 179.01 177.37 1rke h ASN 83 N 0.81 0.22 0.44 1.42 2.35 -1.24 -1.58 115.58 117.99 1rke h ASN 83 Ca 0.47 -0.08 -0.19 0.00 -0.55 0.00 0.00 56.30 55.95 1rke h ASN 83 Cb 0.56 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1rke h ASN 83 CO -0.30 0.56 -0.82 0.00 -1.65 0.00 0.00 177.43 175.22 1rke h ALA 84 N 1.46 0.56 -0.13 -0.83 0.00 -0.65 -2.08 119.26 117.59 1rke h ALA 84 Ca 0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1rke h ALA 84 Cb 0.71 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1rke h ALA 84 CO 0.05 0.84 0.03 0.00 0.00 0.00 0.00 179.25 180.17 1rke h THR 86 N 0.00 0.82 -0.38 0.00 2.02 -1.24 0.19 112.91 114.32 1rke h THR 86 Ca 0.04 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1rke h THR 86 Cb 0.26 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1rke h THR 86 CO 0.00 0.11 0.14 0.11 0.37 0.00 0.00 175.52 176.25 1rke h LYS 87 N 0.61 0.58 -0.36 6.66 1.57 -1.12 -1.51 116.57 122.99 1rke h LYS 87 Ca 0.37 -0.11 0.04 0.00 -1.87 0.00 0.00 60.65 59.08 1rke h LYS 87 Cb 0.42 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1rke h LYS 87 CO -0.29 0.56 0.15 -0.07 -0.57 0.00 0.00 179.45 179.23 1rke h LEU 88 N 0.47 0.19 -0.59 2.94 3.38 0.23 -1.67 115.31 120.26 1rke h LEU 88 Ca 0.13 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.19 1rke h LEU 88 Cb 0.21 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1rke h LEU 88 CO -0.01 0.15 0.28 0.58 0.09 0.00 0.00 178.44 179.53 1rke h VAL 89 N 0.32 0.89 -0.52 1.22 2.07 -0.35 -2.00 116.25 117.87 1rke h VAL 89 Ca 0.16 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1rke h VAL 89 Cb 0.11 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1rke h VAL 89 CO -0.14 0.09 0.29 1.56 0.02 0.00 0.00 177.57 179.39 1rke h GLN 90 N 0.51 0.72 -0.61 1.57 4.20 -0.60 -1.26 115.11 119.64 1rke h GLN 90 Ca 0.28 -0.08 0.09 0.00 0.06 0.00 0.00 58.65 58.99 1rke h GLN 90 Cb 0.24 -0.14 -0.07 0.00 0.30 0.00 0.00 27.48 27.81 1rke h GLN 90 CO -0.22 0.55 0.25 0.00 -0.67 0.00 0.00 178.83 178.73 1rke h ALA 91 N 1.13 0.79 0.62 3.87 0.00 -0.93 0.43 119.26 125.16 1rke h ALA 91 Ca 0.18 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1rke h ALA 91 Cb 0.03 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1rke h ALA 91 CO -0.03 -0.16 -0.30 0.00 0.00 0.00 0.00 179.25 178.76 1rke h ALA 92 N 1.40 -0.83 -0.53 0.00 0.00 -0.81 0.20 119.26 118.70 1rke h ALA 92 Ca 0.30 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.14 1rke h ALA 92 Cb 0.34 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 1rke h ALA 92 CO -0.28 -0.96 -0.04 1.96 0.00 0.00 0.00 179.25 179.92 1rke h GLN 93 N -0.83 0.07 -0.63 0.00 4.20 -0.87 0.14 115.11 117.20 1rke h GLN 93 Ca -0.08 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 1rke h GLN 93 Cb 0.63 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1rke h GLN 93 CO 0.14 0.05 0.07 0.52 -0.67 0.00 0.00 178.83 178.93 1rke h MET 94 N 0.08 1.05 0.00 1.46 2.86 -0.01 -2.48 114.93 117.89 1rke h MET 94 Ca 0.27 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1rke h MET 94 Cb 0.42 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1rke h MET 94 CO -0.48 0.99 0.00 1.28 1.06 0.00 0.00 176.91 179.75 1rke n LEU 95 N -4.20 0.40 0.22 1.22 4.77 0.05 -1.84 117.00 117.61 1rke n LEU 95 Ca 0.04 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.67 1rke n LEU 95 Cb 0.31 -0.41 0.19 0.00 -2.33 0.00 0.00 43.42 41.17 1rke n LEU 95 CO 0.43 -0.09 0.79 -0.61 -1.33 0.00 0.00 177.39 176.58 1rke h GLN 96 N 0.00 0.00 0.00 3.23 4.15 -0.51 -2.95 115.11 119.03 1rke h GLN 96 Ca 0.00 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 59.07 1rke h GLN 96 Cb 0.61 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.25 1rke h GLN 96 CO 0.00 0.04 -1.90 0.43 -1.93 0.00 0.00 178.83 175.47 1rke n SER 97 N -3.11 1.91 -3.86 -0.69 7.64 -1.05 -4.84 113.62 109.61 1rke n SER 97 Ca 0.04 0.38 -0.30 0.00 1.01 0.00 0.00 58.87 59.99 1rke n SER 97 Cb 0.53 -0.89 -0.15 0.00 -1.01 0.00 0.00 64.21 62.69 1rke n SER 97 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1rke s ASP 98 N -7.17 4.33 0.00 6.43 2.15 -0.77 -4.97 116.67 116.67 1rke s ASP 98 Ca -0.34 -1.96 0.00 0.00 0.43 0.00 0.00 52.55 50.68 1rke s ASP 98 Cb 0.10 -1.22 0.01 0.00 -0.30 0.00 0.00 42.92 41.51 1rke s ASP 98 CO 0.54 -0.39 0.56 -2.65 -0.17 0.00 0.00 175.17 173.07 1rke n PRO 99 N 4.46 0.01 -0.00 4.34 -0.02 -1.11 -1.41 135.00 141.27 1rke n PRO 99 Ca 0.01 0.05 0.01 0.00 -2.02 0.00 0.00 63.50 61.55 1rke n PRO 99 Cb 0.41 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.40 1rke n PRO 99 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1rke n TYR 100 N -1.05 0.00 -1.67 6.00 4.02 -1.26 -2.17 117.16 121.03 1rke n TYR 100 Ca 0.00 -0.04 -0.48 0.00 -0.01 0.00 0.00 57.90 57.38 1rke n TYR 100 Cb 0.00 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.27 1rke n TYR 100 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1rke n SER 101 N 0.03 3.11 0.01 7.72 2.88 -0.50 -4.91 113.62 121.96 1rke n SER 101 Ca 0.01 1.04 -0.08 0.00 -1.33 0.00 0.00 58.87 58.51 1rke n SER 101 Cb 0.05 -1.38 -0.13 0.00 -0.75 0.00 0.00 64.21 61.99 1rke n SER 101 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1rke h VAL 102 N 4.35 1.21 0.00 2.46 2.07 -1.96 -3.04 116.25 121.34 1rke h VAL 102 Ca -0.46 -3.00 -0.01 0.00 0.82 0.00 0.00 66.70 64.04 1rke h VAL 102 Cb 1.27 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 33.64 1rke h VAL 102 CO 0.91 0.70 -0.05 -0.65 0.02 0.00 0.00 177.57 178.49 1rke h PRO 103 N 0.00 0.00 0.11 1.57 0.11 -2.00 -1.74 132.00 130.05 1rke h PRO 103 Ca -0.17 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.65 1rke h PRO 103 Cb 1.91 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 33.02 1rke h PRO 103 CO 0.10 0.05 -1.42 0.00 -0.21 0.00 0.00 178.00 176.53 1rke h ALA 104 N 1.95 0.25 0.00 -0.75 0.00 -1.92 -2.95 119.26 115.83 1rke h ALA 104 Ca -0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 54.91 53.81 1rke h ALA 104 Cb 0.43 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1rke h ALA 104 CO 0.01 1.12 -0.26 0.00 0.00 0.00 0.00 179.25 180.11 1rke h ARG 105 N 0.06 0.00 -0.03 0.00 3.08 -1.22 0.48 114.38 116.75 1rke h ARG 105 Ca -0.20 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.67 1rke h ARG 105 Cb 1.99 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.03 1rke h ARG 105 CO 0.17 0.26 -0.77 -0.44 -1.07 0.00 0.00 179.97 178.13 1rke h ASP 106 N 0.00 0.31 0.00 7.04 3.32 -1.45 -2.41 116.42 123.23 1rke h ASP 106 Ca -0.00 -0.22 -0.21 0.00 0.02 0.00 0.00 57.03 56.62 1rke h ASP 106 Cb 0.51 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1rke h ASP 106 CO 0.03 0.96 -0.76 1.88 -1.72 0.00 0.00 179.24 179.64 1rke h TYR 107 N 0.16 0.87 0.24 4.55 -1.99 -1.07 -1.39 116.97 118.35 1rke h TYR 107 Ca -0.03 -0.38 -0.01 0.00 2.00 0.00 0.00 58.73 60.30 1rke h TYR 107 Cb 1.34 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.94 1rke h TYR 107 CO 0.03 1.19 -0.11 1.25 -0.00 0.00 0.00 178.16 180.51 1rke h LEU 108 N 0.44 -0.27 -0.30 3.88 5.85 -0.05 0.21 115.31 125.09 1rke h LEU 108 Ca -0.04 -0.03 -0.19 0.00 0.84 0.00 0.00 57.88 58.46 1rke h LEU 108 Cb 1.36 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 1rke h LEU 108 CO 0.15 -0.15 -0.87 -0.29 -0.34 0.00 0.00 178.44 176.94 1rke h ILE 109 N -0.36 1.51 -0.21 4.05 6.09 -1.51 -1.97 117.51 125.10 1rke h ILE 109 Ca -0.03 -2.64 -0.09 0.00 -1.37 0.00 0.00 64.86 60.73 1rke h ILE 109 Cb 0.28 2.47 -0.00 0.00 0.47 0.00 0.00 36.82 40.03 1rke h ILE 109 CO 0.05 0.77 -0.21 0.44 -3.07 0.00 0.00 178.15 176.13 1rke h ASP 110 N 0.09 0.55 -0.72 2.19 3.32 -1.23 -0.40 116.42 120.21 1rke h ASP 110 Ca -0.04 -0.47 -0.06 0.00 0.02 0.00 0.00 57.03 56.48 1rke h ASP 110 Cb 1.49 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.86 1rke h ASP 110 CO 0.13 0.91 0.21 1.23 -1.72 0.00 0.00 179.24 180.00 1rke h GLY 111 N 0.20 1.22 0.75 2.75 0.00 -0.62 -0.89 103.07 106.47 1rke h GLY 111 Ca 0.03 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1rke h GLY 111 CO 0.05 0.69 -0.20 1.76 0.00 0.00 0.00 176.54 178.83 1rke h SER 112 N 1.07 -0.55 -0.37 0.19 0.02 -1.27 0.65 113.55 113.30 1rke h SER 112 Ca 0.23 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.28 1rke h SER 112 Cb 0.33 0.19 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 1rke h SER 112 CO -0.00 -0.30 0.10 -0.09 -1.14 0.00 0.00 176.83 175.39 1rke h ARG 113 N -0.44 0.22 -0.84 3.45 2.43 -0.99 -2.93 114.38 115.28 1rke h ARG 113 Ca 0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1rke h ARG 113 Cb 0.41 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 1rke h ARG 113 CO -0.05 0.15 0.54 0.78 -1.51 0.00 0.00 179.97 179.87 1rke h GLY 114 N 0.23 1.22 0.96 2.80 0.00 -0.82 -1.12 103.07 106.35 1rke h GLY 114 Ca 0.17 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1rke h GLY 114 CO -0.21 0.35 0.09 -2.22 0.00 0.00 0.00 176.54 174.55 1rke h ILE 115 N 1.05 1.07 -0.36 2.60 1.08 -0.71 0.35 117.51 122.59 1rke h ILE 115 Ca 0.34 -0.18 -0.08 0.00 -0.39 0.00 0.00 64.86 64.55 1rke h ILE 115 Cb 0.01 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 1rke h ILE 115 CO -0.12 0.07 -0.07 -0.07 -0.69 0.00 0.00 178.15 177.27 1rke h LEU 116 N 0.16 0.70 0.01 1.44 3.38 -1.34 -0.80 115.31 118.85 1rke h LEU 116 Ca 0.05 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1rke h LEU 116 Cb 0.03 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1rke h LEU 116 CO -0.01 0.89 -0.00 -1.28 0.09 0.00 0.00 178.44 178.12 1rke h SER 117 N 0.49 -0.01 -0.48 -0.43 0.87 -1.15 -1.60 113.55 111.25 1rke h SER 117 Ca 0.09 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 1rke h SER 117 Cb 0.57 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 1rke h SER 117 CO 0.03 0.02 0.15 1.23 -0.53 0.00 0.00 176.83 177.73 1rke h GLY 118 N -0.03 0.80 1.01 5.77 0.00 -0.26 -1.42 103.07 108.93 1rke h GLY 118 Ca -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1rke h GLY 118 CO 0.00 0.44 0.42 -0.84 0.00 0.00 0.00 176.54 176.57 1rke h THR 119 N 0.64 1.21 -0.10 4.70 2.02 -1.13 -1.38 112.91 118.87 1rke h THR 119 Ca 0.15 -0.49 0.01 0.00 0.77 0.00 0.00 66.41 66.85 1rke h THR 119 Cb 0.27 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1rke h THR 119 CO -0.00 0.22 0.04 -1.28 0.37 0.00 0.00 175.52 174.87 1rke h SER 120 N 0.99 0.06 -0.66 4.18 0.87 -1.03 -1.27 113.55 116.70 1rke h SER 120 Ca 0.26 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.92 1rke h SER 120 Cb -0.01 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 61.87 1rke h SER 120 CO -0.05 0.05 0.28 0.44 -0.53 0.00 0.00 176.83 177.03 1rke h ASP 121 N 0.10 0.32 0.15 6.23 5.19 -1.08 -0.81 116.42 126.52 1rke h ASP 121 Ca 0.04 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.52 1rke h ASP 121 Cb 0.01 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1rke h ASP 121 CO -0.03 0.18 -0.11 0.25 -3.12 0.00 0.00 179.24 176.41 1rke h LEU 122 N 0.48 -0.27 -0.51 1.55 5.85 -0.83 -1.64 115.31 119.95 1rke h LEU 122 Ca 0.33 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 1rke h LEU 122 Cb 0.40 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1rke h LEU 122 CO -0.30 -0.17 0.29 -0.07 -0.34 0.00 0.00 178.44 177.85 1rke h LEU 123 N -0.26 0.64 -1.36 2.25 3.38 -0.79 -1.15 115.31 118.01 1rke h LEU 123 Ca -0.01 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1rke h LEU 123 Cb 0.23 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1rke h LEU 123 CO -0.00 0.53 -0.29 -0.07 0.09 0.00 0.00 178.44 178.70 1rke h LEU 124 N 0.68 0.00 -0.21 1.67 3.38 -1.16 -1.29 115.31 118.39 1rke h LEU 124 Ca 0.18 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.93 1rke h LEU 124 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1rke h LEU 124 CO -0.03 0.29 -0.89 0.74 0.09 0.00 0.00 178.44 178.64 1rke h THR 125 N 0.00 1.37 0.07 0.22 2.02 -0.78 -0.88 112.91 114.94 1rke h THR 125 Ca -0.00 -2.31 -0.00 0.00 0.77 0.00 0.00 66.41 64.87 1rke h THR 125 Cb 0.62 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 1rke h THR 125 CO 0.04 0.70 -0.03 -0.26 0.37 0.00 0.00 175.52 176.33 1rke h PHE 126 N 0.29 -0.09 -0.73 3.16 0.05 -1.06 -3.11 116.94 115.46 1rke h PHE 126 Ca -0.07 -0.00 0.06 0.00 3.82 0.00 0.00 57.97 61.78 1rke h PHE 126 Cb 1.51 0.03 -0.06 0.00 2.00 0.00 0.00 35.95 39.43 1rke h PHE 126 CO 0.06 0.20 0.42 0.22 -0.18 0.00 0.00 178.31 179.04 1rke h ASP 127 N -0.38 0.65 -0.51 2.17 1.82 -1.20 -1.54 116.42 117.44 1rke h ASP 127 Ca -0.01 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.64 1rke h ASP 127 Cb 0.33 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.20 1rke h ASP 127 CO 0.02 0.42 0.27 -0.33 -1.61 0.00 0.00 179.24 178.01 1rke h GLU 128 N 0.78 0.75 -0.05 0.28 5.08 -1.21 -1.29 114.58 118.92 1rke h GLU 128 Ca 0.32 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.47 1rke h GLU 128 Cb 0.17 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1rke h GLU 128 CO -0.17 0.57 -0.54 0.00 -1.00 0.00 0.00 179.01 177.86 1rke h ALA 129 N 1.55 1.01 -0.26 3.43 0.00 -1.31 -1.55 119.26 122.12 1rke h ALA 129 Ca 0.19 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1rke h ALA 129 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1rke h ALA 129 CO -0.03 0.68 -0.14 1.49 0.00 0.00 0.00 179.25 181.26 1rke h GLU 130 N 0.10 0.55 -0.34 0.00 4.57 -0.63 -1.41 114.58 117.43 1rke h GLU 130 Ca -0.00 -0.25 -0.06 0.00 -1.18 0.00 0.00 59.36 57.87 1rke h GLU 130 Cb 0.99 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 1rke h GLU 130 CO 0.08 0.81 -0.05 0.28 -1.18 0.00 0.00 179.01 178.95 1rke h VAL 131 N 0.27 1.21 -0.45 0.32 2.07 -1.05 -1.69 116.25 116.94 1rke h VAL 131 Ca 0.06 -0.89 -0.12 0.00 0.82 0.00 0.00 66.70 66.56 1rke h VAL 131 Cb 0.65 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1rke h VAL 131 CO 0.04 0.30 -0.20 0.03 0.02 0.00 0.00 177.57 177.76 1rke h ARG 132 N 0.51 0.94 -0.28 1.57 3.08 -1.17 -1.10 114.38 117.92 1rke h ARG 132 Ca 0.10 -0.40 0.03 0.00 0.07 0.00 0.00 59.98 59.78 1rke h ARG 132 Cb 0.40 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1rke h ARG 132 CO 0.02 1.06 0.10 -0.22 -1.07 0.00 0.00 179.97 179.86 1rke h LYS 133 N 0.78 0.22 0.35 0.04 3.64 -0.77 -1.94 116.57 118.88 1rke h LYS 133 Ca 0.10 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1rke h LYS 133 Cb 0.77 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1rke h LYS 133 CO 0.06 0.15 -0.17 0.82 -2.27 0.00 0.00 179.45 178.04 1rke h ILE 134 N 0.23 0.60 -0.98 2.00 2.04 -1.25 -3.10 117.51 117.05 1rke h ILE 134 Ca 0.12 -0.58 0.15 0.00 1.00 0.00 0.00 64.86 65.55 1rke h ILE 134 Cb 0.09 0.86 -0.09 0.00 -0.74 0.00 0.00 36.82 36.95 1rke h ILE 134 CO -0.13 0.10 0.61 0.40 0.00 0.00 0.00 178.15 179.14 1rke h ILE 135 N -0.83 0.82 -0.04 -0.67 2.04 -1.20 0.12 117.51 117.76 1rke h ILE 135 Ca -0.05 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1rke h ILE 135 Cb 0.53 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1rke h ILE 135 CO 0.08 0.15 -0.02 0.03 0.00 0.00 0.00 178.15 178.39 1rke h ARG 136 N 0.84 0.05 0.15 2.37 3.08 -1.35 0.15 114.38 119.67 1rke h ARG 136 Ca 0.51 -0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.26 1rke h ARG 136 Cb 0.70 -0.01 0.03 0.00 0.08 0.00 0.00 29.97 30.77 1rke h ARG 136 CO -0.29 0.08 -1.29 0.28 -1.07 0.00 0.00 179.97 177.68 1rke h VAL 137 N 0.05 1.31 -0.35 2.04 2.07 -0.70 -1.96 116.25 118.71 1rke h VAL 137 Ca 0.01 -2.57 -0.03 0.00 0.82 0.00 0.00 66.70 64.93 1rke h VAL 137 Cb 0.07 2.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 1rke h VAL 137 CO 0.00 0.78 0.12 0.00 0.02 0.00 0.00 177.57 178.49 1rke h LYS 139 N 0.42 0.75 -0.35 0.00 1.57 -0.99 0.15 116.57 118.12 1rke h LYS 139 Ca 0.11 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1rke h LYS 139 Cb 0.23 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1rke h LYS 139 CO -0.01 0.49 0.02 0.78 -0.57 0.00 0.00 179.45 180.17 1rke h GLY 140 N 0.77 0.58 0.65 3.86 0.00 -0.99 -1.78 103.07 106.16 1rke h GLY 140 Ca 0.39 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 1rke h GLY 140 CO -0.16 0.31 -0.10 -2.22 0.00 0.00 0.00 176.54 174.37 1rke h ILE 141 N 0.52 1.37 -0.85 2.60 1.08 -0.46 -2.48 117.51 119.28 1rke h ILE 141 Ca 0.11 -1.27 0.14 0.00 -0.39 0.00 0.00 64.86 63.45 1rke h ILE 141 Cb 0.31 2.00 -0.09 0.00 -3.07 0.00 0.00 36.82 35.97 1rke h ILE 141 CO 0.01 0.36 0.45 -0.07 -0.69 0.00 0.00 178.15 178.21 1rke h LEU 142 N -0.20 0.57 -0.22 1.44 3.38 -0.93 -0.42 115.31 118.94 1rke h LEU 142 Ca 0.01 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1rke h LEU 142 Cb 0.62 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1rke h LEU 142 CO 0.02 0.26 0.09 -0.08 0.09 0.00 0.00 178.44 178.83 1rke h GLU 143 N 0.67 0.33 -0.61 1.13 4.57 -1.24 -2.75 114.58 116.69 1rke h GLU 143 Ca 0.45 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.52 1rke h GLU 143 Cb 0.60 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 1rke h GLU 143 CO -0.34 0.38 0.16 -0.92 -1.18 0.00 0.00 179.01 177.11 1rke h TYR 144 N 0.21 0.97 -0.21 0.92 3.20 -0.84 -2.16 116.97 119.07 1rke h TYR 144 Ca 0.07 -0.10 0.02 0.00 3.14 0.00 0.00 58.73 61.87 1rke h TYR 144 Cb 0.17 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1rke h TYR 144 CO -0.01 0.80 0.14 -0.07 -1.64 0.00 0.00 178.16 177.38 1rke h LEU 145 N 0.90 0.16 -1.62 2.82 3.38 -1.03 0.11 115.31 120.03 1rke h LEU 145 Ca 0.20 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1rke h LEU 145 Cb 0.31 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1rke h LEU 145 CO -0.00 0.11 -0.14 0.74 0.09 0.00 0.00 178.44 179.24 1rke h THR 146 N 0.19 0.45 0.00 0.22 2.02 -1.09 -2.77 112.91 111.93 1rke h THR 146 Ca 0.09 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1rke h THR 146 Cb 0.12 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1rke h THR 146 CO -0.02 0.13 -0.74 1.62 0.37 0.00 0.00 175.52 176.89 1rke h VAL 147 N 0.00 0.00 -1.22 3.16 3.04 -0.69 -3.38 116.25 117.17 1rke h VAL 147 Ca -0.00 -0.95 0.40 0.00 -1.01 0.00 0.00 66.70 65.14 1rke h VAL 147 Cb 0.49 1.57 -0.13 0.00 -2.01 0.00 0.00 31.29 31.21 1rke h VAL 147 CO 0.02 0.00 0.77 0.00 -1.01 0.00 0.00 177.57 177.35 1rke h ALA 148 N 2.05 2.53 0.00 3.17 0.00 -1.37 0.48 119.26 126.12 1rke h ALA 148 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1rke h ALA 148 Cb 0.97 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1rke h ALA 148 CO 0.00 -1.13 0.00 -0.85 0.00 0.00 0.00 179.25 177.27 1rke n GLU 149 N -4.77 0.24 0.07 0.00 0.28 -1.26 -2.01 120.64 113.19 1rke n GLU 149 Ca 0.35 0.12 0.11 0.00 -0.16 0.00 0.00 57.16 57.58 1rke n GLU 149 Cb 1.29 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 32.60 1rke n GLU 149 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1rke n VAL 150 N -1.30 0.43 -2.28 3.84 3.14 0.17 -4.86 118.33 117.47 1rke n VAL 150 Ca 0.08 -0.54 -0.43 0.00 -2.96 0.00 0.00 64.34 60.50 1rke n VAL 150 Cb 0.15 -0.24 -0.02 0.00 -1.06 0.00 0.00 33.84 32.67 1rke n VAL 150 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1rke s VAL 151 N -3.41 3.95 0.00 1.55 1.01 -0.85 -4.82 120.40 117.82 1rke s VAL 151 Ca -0.03 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1rke s VAL 151 Cb 0.11 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1rke s VAL 151 CO 0.83 -0.35 0.30 1.21 0.00 0.00 0.00 175.10 177.08 1rke n GLU 152 N 7.39 -0.26 -4.07 2.72 4.07 -1.26 -4.91 120.64 124.32 1rke n GLU 152 Ca 0.16 -0.30 -0.12 0.00 -0.06 0.00 0.00 57.16 56.84 1rke n GLU 152 Cb 0.46 -0.79 -0.11 0.00 -0.06 0.00 0.00 31.44 30.94 1rke n GLU 152 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1rke s THR 153 N -0.05 0.53 0.45 6.31 2.01 -1.26 -4.83 115.64 118.80 1rke s THR 153 Ca 0.00 -1.17 0.12 0.00 0.31 0.00 0.00 61.69 60.95 1rke s THR 153 Cb 0.00 -0.71 0.23 0.00 0.01 0.00 0.00 72.50 72.03 1rke s THR 153 CO 0.00 -0.45 2.05 0.24 -0.69 0.00 0.00 174.62 175.78 1rke h MET 154 N 4.33 0.20 -0.46 4.92 2.86 -1.97 0.56 114.93 125.37 1rke h MET 154 Ca -0.35 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.19 1rke h MET 154 Cb 1.20 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.80 1rke h MET 154 CO 0.43 0.20 -0.01 1.49 1.06 0.00 0.00 176.91 180.09 1rke h GLU 155 N 0.20 0.81 -0.12 1.72 4.81 -1.98 0.11 114.58 120.12 1rke h GLU 155 Ca 0.05 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 58.98 1rke h GLU 155 Cb 0.11 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1rke h GLU 155 CO -0.00 0.88 -0.08 -0.44 -0.73 0.00 0.00 179.01 178.64 1rke h ASP 156 N 0.66 0.28 -0.14 1.04 3.32 -1.85 -2.56 116.42 117.18 1rke h ASP 156 Ca 0.13 -0.44 0.05 0.00 0.02 0.00 0.00 57.03 56.79 1rke h ASP 156 Cb 0.52 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.93 1rke h ASP 156 CO 0.03 0.66 -0.29 0.25 -1.72 0.00 0.00 179.24 178.17 1rke h LEU 157 N -0.09 -0.89 -1.75 1.55 5.85 -0.84 0.88 115.31 120.01 1rke h LEU 157 Ca 0.03 0.14 0.22 0.00 0.84 0.00 0.00 57.88 59.10 1rke h LEU 157 Cb 0.56 0.39 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 1rke h LEU 157 CO 0.02 -0.33 0.58 0.58 -0.34 0.00 0.00 178.44 178.96 1rke h VAL 158 N -0.36 0.64 0.02 1.05 2.07 -0.79 0.74 116.25 119.62 1rke h VAL 158 Ca 0.10 -0.07 -0.13 0.00 0.82 0.00 0.00 66.70 67.42 1rke h VAL 158 Cb 0.51 0.42 0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1rke h VAL 158 CO -0.34 0.04 -0.51 0.74 0.02 0.00 0.00 177.57 177.52 1rke h THR 159 N 0.21 1.49 0.24 2.57 2.02 -0.21 -2.93 112.91 116.30 1rke h THR 159 Ca 0.42 -2.13 0.01 0.00 0.77 0.00 0.00 66.41 65.48 1rke h THR 159 Cb 1.34 2.78 -0.04 0.00 -1.74 0.00 0.00 68.15 70.49 1rke h THR 159 CO -0.09 0.60 -0.47 0.22 0.37 0.00 0.00 175.52 176.15 1rke h TYR 160 N -0.30 -1.33 -0.81 3.16 3.20 0.24 -1.93 116.97 119.20 1rke h TYR 160 Ca -0.07 0.03 0.19 0.00 3.14 0.00 0.00 58.73 62.02 1rke h TYR 160 Cb 1.27 0.55 -0.13 0.00 1.54 0.00 0.00 36.73 39.97 1rke h TYR 160 CO 0.17 -0.59 0.19 1.15 -1.64 0.00 0.00 178.16 177.45 1rke h THR 161 N -0.79 0.41 -0.51 1.81 2.02 -1.05 -0.20 112.91 114.60 1rke h THR 161 Ca -0.01 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 67.14 1rke h THR 161 Cb 0.76 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1rke h THR 161 CO -0.20 0.04 0.34 0.11 0.37 0.00 0.00 175.52 176.19 1rke h LYS 162 N 0.24 0.48 0.09 6.66 1.57 -1.16 -2.25 116.57 122.19 1rke h LYS 162 Ca 0.48 -0.03 -0.29 0.00 -1.87 0.00 0.00 60.65 58.94 1rke h LYS 162 Cb 0.88 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1rke h LYS 162 CO -0.59 0.32 -1.51 -0.91 -0.57 0.00 0.00 179.45 176.18 1rke h ASN 163 N 0.49 0.29 -0.45 0.86 2.35 -0.80 -3.39 115.58 114.92 1rke h ASN 163 Ca 0.22 -0.80 -0.02 0.00 -0.55 0.00 0.00 56.30 55.15 1rke h ASN 163 Cb 0.25 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1rke h ASN 163 CO -0.06 1.64 0.23 0.25 -1.65 0.00 0.00 177.43 177.84 1rke h LEU 164 N -0.39 0.62 -0.07 1.61 5.85 -1.02 -3.15 115.31 118.76 1rke h LEU 164 Ca -0.34 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.35 1rke h LEU 164 Cb 1.71 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.55 1rke h LEU 164 CO -0.00 0.54 -0.12 1.23 -0.34 0.00 0.00 178.44 179.75 1rke h GLY 165 N 0.81 -0.08 0.72 3.75 0.00 -1.60 -2.31 103.07 104.35 1rke h GLY 165 Ca 0.17 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1rke h GLY 165 CO -0.02 -0.12 -0.10 -2.55 0.00 0.00 0.00 176.54 173.75 1rke h PRO 166 N -0.17 -0.26 -0.98 4.80 0.11 -1.77 -2.46 132.00 131.27 1rke h PRO 166 Ca 0.07 0.02 0.28 0.00 0.11 0.00 0.00 66.00 66.47 1rke h PRO 166 Cb 0.26 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.38 1rke h PRO 166 CO -0.17 0.03 0.70 0.78 -0.21 0.00 0.00 178.00 179.13 1rke h GLY 167 N -0.56 0.16 1.99 -0.55 0.00 -1.53 0.67 103.07 103.25 1rke h GLY 167 Ca -0.03 -0.03 -0.20 0.00 0.00 0.00 0.00 47.33 47.08 1rke h GLY 167 CO 0.05 -0.01 -0.94 -0.33 0.00 0.00 0.00 176.54 175.31 1rke h MET 168 N 0.06 0.01 -0.21 4.80 2.86 -1.26 -2.54 114.93 118.65 1rke h MET 168 Ca 0.48 -0.02 -0.18 0.00 -2.06 0.00 0.00 59.70 57.92 1rke h MET 168 Cb 1.79 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.46 1rke h MET 168 CO -0.04 0.94 -0.59 1.15 1.06 0.00 0.00 176.91 179.43 1rke h THR 169 N 0.00 1.29 0.22 2.22 2.02 0.72 -1.64 112.91 117.76 1rke h THR 169 Ca -0.01 -1.79 -0.01 0.00 0.77 0.00 0.00 66.41 65.36 1rke h THR 169 Cb 1.65 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.91 1rke h THR 169 CO 0.12 0.57 -0.11 0.50 0.37 0.00 0.00 175.52 176.98 1rke h LYS 170 N 0.50 -0.29 -0.70 6.66 3.64 -1.01 -0.64 116.57 124.73 1rke h LYS 170 Ca -0.01 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1rke h LYS 170 Cb 1.21 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.04 1rke h LYS 170 CO 0.13 -0.09 0.41 1.98 -2.27 0.00 0.00 179.45 179.60 1rke h MET 171 N -0.43 0.73 -0.06 1.90 4.05 -1.50 0.56 114.93 120.18 1rke h MET 171 Ca -0.03 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.35 1rke h MET 171 Cb 0.33 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 1rke h MET 171 CO 0.05 0.49 0.02 0.00 0.23 0.00 0.00 176.91 177.69 1rke h ALA 172 N 1.34 0.06 -0.29 0.39 0.00 -1.16 0.26 119.26 119.86 1rke h ALA 172 Ca 0.30 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1rke h ALA 172 Cb 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1rke h ALA 172 CO -0.16 -0.46 0.19 -0.22 0.00 0.00 0.00 179.25 178.60 1rke h LYS 173 N 0.04 0.39 -0.24 0.00 3.64 -0.59 -1.37 116.57 118.45 1rke h LYS 173 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1rke h LYS 173 Cb 0.02 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1rke h LYS 173 CO -0.03 0.27 0.16 0.52 -2.27 0.00 0.00 179.45 178.09 1rke h MET 174 N 0.39 0.31 -0.20 1.90 2.86 -0.67 -1.21 114.93 118.31 1rke h MET 174 Ca 0.11 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1rke h MET 174 Cb -0.03 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1rke h MET 174 CO -0.02 0.21 0.02 0.82 1.06 0.00 0.00 176.91 178.99 1rke h ILE 175 N 0.32 1.12 0.01 -1.22 1.08 -0.79 0.36 117.51 118.38 1rke h ILE 175 Ca 0.09 -0.45 -0.00 0.00 -0.39 0.00 0.00 64.86 64.11 1rke h ILE 175 Cb -0.03 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 1rke h ILE 175 CO -0.02 0.15 -0.00 -0.78 -0.69 0.00 0.00 178.15 176.81 1rke h ASP 176 N 0.28 -0.01 -0.44 1.72 3.58 -0.57 0.00 116.42 120.98 1rke h ASP 176 Ca 0.07 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.11 1rke h ASP 176 Cb 0.17 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1rke h ASP 176 CO 0.00 0.41 0.28 -0.33 -2.88 0.00 0.00 179.24 176.72 1rke h GLU 177 N -0.43 0.59 0.05 0.28 5.08 -0.96 -1.99 114.58 117.21 1rke h GLU 177 Ca -0.00 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1rke h GLU 177 Cb 0.42 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1rke h GLU 177 CO 0.00 0.42 -0.15 -0.09 -1.00 0.00 0.00 179.01 178.19 1rke h ARG 178 N 0.59 -0.27 -0.58 2.33 9.65 -0.16 -2.68 114.38 123.26 1rke h ARG 178 Ca 0.16 0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.11 1rke h ARG 178 Cb -0.03 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.58 1rke h ARG 178 CO -0.03 -0.18 0.39 -0.56 2.80 0.00 0.00 179.97 182.39 1rke h GLN 179 N -0.28 0.59 0.00 0.20 -0.00 -0.83 0.17 115.11 114.97 1rke h GLN 179 Ca 0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1rke h GLN 179 Cb 0.31 -0.13 0.00 0.00 -0.00 0.00 0.00 27.48 27.66 1rke h GLN 179 CO -0.11 0.39 0.00 1.04 -0.00 0.00 0.00 178.83 180.16 1rke n GLN 180 N -4.47 0.14 -0.08 0.06 6.02 -0.76 -2.73 117.38 115.54 1rke n GLN 180 Ca 0.08 0.19 -0.10 0.00 -0.01 0.00 0.00 57.00 57.15 1rke n GLN 180 Cb 0.19 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.85 1rke n GLN 180 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1rke n GLU 181 N -1.27 1.02 -1.64 -1.09 4.07 0.59 -4.91 120.64 117.41 1rke n GLU 181 Ca 0.04 0.05 -0.40 0.00 -0.06 0.00 0.00 57.16 56.80 1rke n GLU 181 Cb 0.07 -1.38 0.03 0.00 -0.06 0.00 0.00 31.44 30.09 1rke n GLU 181 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1rke n LEU 182 N -2.81 3.36 0.03 4.31 4.77 -1.11 -0.46 117.00 125.10 1rke n LEU 182 Ca -0.29 0.97 0.11 0.00 -0.03 0.00 0.00 56.01 56.77 1rke n LEU 182 Cb 0.92 -1.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.55 1rke n LEU 182 CO 0.25 -1.40 -0.25 0.35 -1.33 0.00 0.00 177.39 175.01 1rke n THR 183 N -0.86 0.22 -3.00 -5.08 -2.24 -0.82 -4.70 114.28 97.80 1rke n THR 183 Ca 0.10 -0.40 -0.43 0.00 -2.27 0.00 0.00 64.05 61.05 1rke n THR 183 Cb 0.42 0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 1rke n THR 183 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1rke s HIS 184 N -3.34 2.98 0.28 4.78 5.65 -1.26 -4.94 115.29 119.45 1rke s HIS 184 Ca -0.01 -0.01 0.02 0.00 0.25 0.00 0.00 55.06 55.30 1rke s HIS 184 Cb 0.13 -3.64 0.59 0.00 -1.18 0.00 0.00 32.58 28.48 1rke s HIS 184 CO 0.84 -1.03 1.81 0.37 -0.65 0.00 0.00 174.74 176.08 1rke h GLN 185 N 9.02 0.87 -0.43 2.88 5.75 -1.99 -2.73 115.11 128.47 1rke h GLN 185 Ca -0.25 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.13 1rke h GLN 185 Cb 1.09 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 29.42 1rke h GLN 185 CO 0.97 0.57 -0.01 0.93 -2.65 0.00 0.00 178.83 178.64 1rke h GLU 186 N 0.89 0.70 -0.13 1.69 3.07 -1.99 -1.95 114.58 116.86 1rke h GLU 186 Ca 0.51 -0.18 -0.18 0.00 -0.50 0.00 0.00 59.36 59.01 1rke h GLU 186 Cb 0.60 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1rke h GLU 186 CO -0.30 0.72 -0.67 0.45 -1.40 0.00 0.00 179.01 177.81 1rke h HIS 187 N 0.66 0.68 -0.70 4.33 3.86 -1.92 -2.52 115.15 119.54 1rke h HIS 187 Ca 0.13 -0.28 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 1rke h HIS 187 Cb 0.42 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 1rke h HIS 187 CO 0.02 1.03 0.38 0.00 0.86 0.00 0.00 177.93 180.22 1rke h ARG 188 N 0.37 0.97 -0.14 2.45 3.08 -1.29 -0.31 114.38 119.51 1rke h ARG 188 Ca -0.02 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 1rke h ARG 188 Cb 1.24 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 1rke h ARG 188 CO 0.12 0.71 -0.19 0.28 -1.07 0.00 0.00 179.97 179.82 1rke h VAL 189 N 0.98 1.36 -0.87 2.04 2.07 -1.29 -1.98 116.25 118.56 1rke h VAL 189 Ca 0.25 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 1rke h VAL 189 Cb 0.03 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 1rke h VAL 189 CO -0.04 0.41 0.52 0.24 0.02 0.00 0.00 177.57 178.72 1rke h MET 190 N -0.01 1.18 -0.07 1.57 2.86 -1.22 -0.66 114.93 118.58 1rke h MET 190 Ca 0.02 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1rke h MET 190 Cb 0.75 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 1rke h MET 190 CO 0.04 0.83 0.02 -0.07 1.06 0.00 0.00 176.91 178.79 1rke h LEU 191 N 1.19 0.10 -0.92 1.22 3.38 -1.07 -2.16 115.31 117.05 1rke h LEU 191 Ca 0.31 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1rke h LEU 191 Cb -0.04 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1rke h LEU 191 CO -0.06 0.30 0.36 0.58 0.09 0.00 0.00 178.44 179.71 1rke h VAL 192 N -0.09 1.25 -0.07 1.22 2.07 -1.05 -1.99 116.25 117.59 1rke h VAL 192 Ca 0.02 -0.72 -0.16 0.00 0.82 0.00 0.00 66.70 66.66 1rke h VAL 192 Cb 0.23 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1rke h VAL 192 CO -0.00 0.30 -0.67 0.78 0.02 0.00 0.00 177.57 178.01 1rke h ASN 193 N 1.12 0.33 -0.35 0.57 2.35 -1.08 -2.13 115.58 116.39 1rke h ASN 193 Ca 0.27 -0.20 -0.17 0.00 -0.55 0.00 0.00 56.30 55.65 1rke h ASN 193 Cb 0.14 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1rke h ASN 193 CO -0.03 0.90 -0.45 0.28 -1.65 0.00 0.00 177.43 176.48 1rke h SER 194 N 0.20 1.00 -0.20 5.81 0.02 -1.22 -1.73 113.55 117.43 1rke h SER 194 Ca -0.02 -0.49 -0.09 0.00 -0.84 0.00 0.00 61.79 60.35 1rke h SER 194 Cb 1.21 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 1rke h SER 194 CO 0.11 1.29 -0.18 -0.03 -1.14 0.00 0.00 176.83 176.88 1rke h MET 195 N 0.73 0.63 0.10 3.45 -1.53 -1.32 0.53 114.93 117.52 1rke h MET 195 Ca 0.04 -0.22 -0.00 0.00 -3.44 0.00 0.00 59.70 56.08 1rke h MET 195 Cb 1.05 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 32.06 1rke h MET 195 CO 0.11 0.77 -0.05 -0.91 0.14 0.00 0.00 176.91 176.97 1rke h ASN 196 N 0.56 -0.11 -0.66 1.39 2.35 -1.31 -0.44 115.58 117.35 1rke h ASN 196 Ca 0.09 -0.23 0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1rke h ASN 196 Cb 0.63 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.97 1rke h ASN 196 CO 0.04 0.17 0.35 0.74 -1.65 0.00 0.00 177.43 177.09 1rke h THR 197 N -0.40 0.93 -0.71 2.81 2.02 -1.12 -1.89 112.91 114.55 1rke h THR 197 Ca -0.01 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.89 1rke h THR 197 Cb 0.34 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 1rke h THR 197 CO 0.02 0.12 0.21 0.58 0.37 0.00 0.00 175.52 176.82 1rke h VAL 198 N 0.64 1.26 -0.36 3.16 2.07 -0.80 -2.26 116.25 119.95 1rke h VAL 198 Ca 0.31 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1rke h VAL 198 Cb 0.23 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1rke h VAL 198 CO -0.21 0.36 0.05 0.11 0.02 0.00 0.00 177.57 177.90 1rke h LYS 199 N 1.06 0.54 0.00 1.57 1.57 -0.39 -2.80 116.57 118.12 1rke h LYS 199 Ca 0.23 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1rke h LYS 199 Cb 0.32 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1rke h LYS 199 CO -0.00 0.53 -0.44 1.05 -0.57 0.00 0.00 179.45 180.02 1rke h GLU 200 N 0.53 0.00 0.00 3.15 4.11 -1.00 -3.27 114.58 118.10 1rke h GLU 200 Ca 0.12 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.48 1rke h GLU 200 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1rke h GLU 200 CO 0.00 0.08 -0.32 -0.07 0.07 0.00 0.00 179.01 178.78 1rke h LEU 201 N 0.00 0.00 -0.02 3.06 3.38 -1.17 -3.38 115.31 117.19 1rke h LEU 201 Ca -0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1rke h LEU 201 Cb 1.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 1rke h LEU 201 CO 0.01 0.32 -0.41 0.25 0.09 0.00 0.00 178.44 178.70 1rke h LEU 202 N 0.00 -1.27 -1.58 1.67 5.85 -1.56 -0.11 115.31 118.31 1rke h LEU 202 Ca -0.00 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1rke h LEU 202 Cb 1.23 0.48 -0.03 0.00 0.37 0.00 0.00 40.66 42.71 1rke h LEU 202 CO 0.04 -0.39 0.35 1.55 -0.34 0.00 0.00 178.44 179.66 1rke h PRO 203 N -0.50 0.52 -0.50 5.25 0.13 -1.78 -1.43 132.00 133.69 1rke h PRO 203 Ca 0.01 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 65.00 1rke h PRO 203 Cb 0.54 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 1rke h PRO 203 CO -0.28 0.34 -0.12 0.28 -0.23 0.00 0.00 178.00 177.99 1rke h VAL 204 N 0.53 1.27 0.12 1.56 2.07 -1.55 -1.81 116.25 118.44 1rke h VAL 204 Ca 0.22 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1rke h VAL 204 Cb 0.22 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1rke h VAL 204 CO -0.06 0.44 -0.06 0.25 0.02 0.00 0.00 177.57 178.15 1rke h LEU 205 N 0.83 -0.14 -0.60 2.57 5.85 0.01 0.23 115.31 124.06 1rke h LEU 205 Ca 0.13 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1rke h LEU 205 Cb 0.66 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1rke h LEU 205 CO 0.05 0.06 0.39 0.40 -0.34 0.00 0.00 178.44 178.99 1rke h ILE 206 N -0.34 1.13 -0.32 4.05 1.08 -1.41 -0.22 117.51 121.49 1rke h ILE 206 Ca -0.02 -0.27 -0.02 0.00 -0.39 0.00 0.00 64.86 64.16 1rke h ILE 206 Cb 0.27 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 1rke h ILE 206 CO 0.03 0.14 0.11 -1.28 -0.69 0.00 0.00 178.15 176.46 1rke h SER 207 N 0.79 0.45 -0.22 1.72 0.87 -1.30 0.11 113.55 115.98 1rke h SER 207 Ca 0.23 -0.19 0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1rke h SER 207 Cb -0.06 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 1rke h SER 207 CO -0.06 0.52 0.15 0.00 -0.53 0.00 0.00 176.83 176.90 1rke h ALA 208 N 0.95 1.95 -0.03 6.23 0.00 0.12 -1.65 119.26 126.83 1rke h ALA 208 Ca 0.10 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 1rke h ALA 208 Cb 0.22 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.97 1rke h ALA 208 CO -0.01 0.02 -0.91 0.52 0.00 0.00 0.00 179.25 178.88 1rke h MET 209 N 0.20 0.67 0.17 0.00 2.07 -0.68 -2.16 114.93 115.20 1rke h MET 209 Ca 0.09 -0.68 0.01 0.00 -2.07 0.00 0.00 59.70 57.05 1rke h MET 209 Cb 0.10 0.18 -0.03 0.00 -1.87 0.00 0.00 31.60 29.99 1rke h MET 209 CO -0.02 1.27 -0.24 0.87 1.07 0.00 0.00 176.91 179.86 1rke h LYS 210 N 0.34 -0.45 -0.82 1.72 1.79 -0.04 -1.85 116.57 117.25 1rke h LYS 210 Ca -0.10 0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.45 1rke h LYS 210 Cb 1.56 0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 32.27 1rke h LYS 210 CO 0.18 -0.30 0.54 0.82 -1.08 0.00 0.00 179.45 179.60 1rke h ILE 211 N -0.47 1.06 -0.24 1.86 2.04 -1.40 -1.34 117.51 119.02 1rke h ILE 211 Ca 0.02 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1rke h ILE 211 Cb 0.47 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1rke h ILE 211 CO -0.10 0.17 0.12 0.15 0.00 0.00 0.00 178.15 178.48 1rke h PHE 212 N 0.92 0.34 -0.22 1.37 3.57 -0.95 -0.15 116.94 121.83 1rke h PHE 212 Ca 0.35 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 1rke h PHE 212 Cb 0.18 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1rke h PHE 212 CO -0.00 0.33 0.05 0.28 -2.23 0.00 0.00 178.31 176.73 1rke h VAL 213 N 0.25 1.22 -0.08 1.41 2.07 -0.92 0.21 116.25 120.41 1rke h VAL 213 Ca 0.08 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.92 1rke h VAL 213 Cb 0.11 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1rke h VAL 213 CO -0.01 0.22 -0.11 0.74 0.02 0.00 0.00 177.57 178.44 1rke h THR 214 N 0.17 0.71 -0.43 2.57 2.02 -1.22 -0.49 112.91 116.24 1rke h THR 214 Ca 0.07 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.20 1rke h THR 214 Cb 0.30 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1rke h THR 214 CO 0.00 0.00 0.08 0.74 0.37 0.00 0.00 175.52 176.71 1rke h THR 215 N -0.14 1.24 -0.39 3.16 2.02 -0.94 -2.48 112.91 115.38 1rke h THR 215 Ca 0.07 -0.87 0.04 0.00 0.77 0.00 0.00 66.41 66.41 1rke h THR 215 Cb 0.24 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1rke h THR 215 CO -0.16 0.30 0.26 0.50 0.37 0.00 0.00 175.52 176.79 1rke h LYS 216 N 0.57 0.38 -0.00 6.66 3.64 -0.16 -1.69 116.57 125.97 1rke h LYS 216 Ca 0.13 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1rke h LYS 216 Cb 0.37 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1rke h LYS 216 CO 0.01 0.25 -0.14 0.09 -2.27 0.00 0.00 179.45 177.39 1rke n ASN 217 N -4.48 0.41 -4.91 4.20 3.02 -0.23 -4.87 115.26 108.40 1rke n ASN 217 Ca 0.04 -0.40 -0.27 0.00 -0.03 0.00 0.00 54.58 53.92 1rke n ASN 217 Cb 0.17 -0.09 0.02 0.00 -0.61 0.00 0.00 39.78 39.27 1rke n ASN 217 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1rke s SER 218 N -2.60 5.80 -0.27 6.41 0.01 -0.64 -5.04 113.70 117.37 1rke s SER 218 Ca 0.25 0.83 -0.14 0.00 1.31 0.00 0.00 55.95 58.19 1rke s SER 218 Cb 0.20 -1.90 -0.04 0.00 0.21 0.00 0.00 66.02 64.49 1rke s SER 218 CO 0.51 -0.93 0.35 -0.75 0.41 0.00 0.00 173.24 172.82 1rke s LYS 219 N -4.95 4.01 -1.34 12.44 2.20 -1.26 -4.27 119.74 126.57 1rke s LYS 219 Ca 0.52 -0.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 1rke s LYS 219 Cb -0.11 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1rke s LYS 219 CO 0.46 -0.26 0.00 0.09 -0.36 0.00 0.00 175.35 175.28 1rke n ASN 220 N 5.28 -4.48 -4.78 1.43 3.02 -1.26 -5.00 115.26 109.48 1rke n ASN 220 Ca -0.09 0.24 -0.37 0.00 -0.03 0.00 0.00 54.58 54.33 1rke n ASN 220 Cb 0.51 -3.27 -0.07 0.00 -0.61 0.00 0.00 39.78 36.35 1rke n ASN 220 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1rke s GLN 221 N -3.49 4.06 0.33 3.52 -1.52 -1.26 -5.06 119.66 116.23 1rke s GLN 221 Ca 0.00 0.17 -0.27 0.00 -1.95 0.00 0.00 55.36 53.30 1rke s GLN 221 Cb 0.00 -3.34 -0.09 0.00 -0.22 0.00 0.00 33.01 29.36 1rke s GLN 221 CO 0.00 0.43 1.12 0.20 -0.25 0.00 0.00 175.29 176.79 1rke s GLY 222 N -0.13 2.96 0.00 3.09 0.00 -1.26 -4.87 107.32 107.11 1rke s GLY 222 Ca 0.19 0.91 0.00 0.00 0.00 0.00 0.00 44.72 45.82 1rke s GLY 222 CO 0.07 1.47 0.59 0.29 0.00 0.00 0.00 173.10 175.51 1rke n ILE 223 N 0.67 0.28 -0.03 0.90 -5.35 -1.26 -4.78 119.36 109.79 1rke n ILE 223 Ca 0.01 -0.56 -0.08 0.00 -0.27 0.00 0.00 62.75 61.85 1rke n ILE 223 Cb 0.46 0.97 -0.02 0.00 -1.74 0.00 0.00 39.64 39.30 1rke n ILE 223 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1rke h GLU 224 N 0.00 -0.10 -0.07 6.28 5.08 -1.99 -1.26 114.58 122.52 1rke h GLU 224 Ca 0.00 0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.17 1rke h GLU 224 Cb 0.25 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1rke h GLU 224 CO 0.00 -0.06 -0.77 1.49 -1.00 0.00 0.00 179.01 178.66 1rke h GLU 225 N -0.10 0.45 -0.39 2.33 4.81 -1.99 -2.06 114.58 117.63 1rke h GLU 225 Ca 0.11 -0.39 0.06 0.00 -0.13 0.00 0.00 59.36 59.01 1rke h GLU 225 Cb 0.26 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1rke h GLU 225 CO -0.26 1.03 0.26 0.00 -0.73 0.00 0.00 179.01 179.31 1rke h ALA 226 N 0.86 2.01 0.14 2.92 0.00 -1.81 0.25 119.26 123.62 1rke h ALA 226 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1rke h ALA 226 Cb 1.37 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1rke h ALA 226 CO 0.14 -0.08 -0.07 1.25 0.00 0.00 0.00 179.25 180.49 1rke h LEU 227 N 0.28 -0.16 -0.70 0.00 6.46 -1.11 -2.77 115.31 117.32 1rke h LEU 227 Ca 0.17 -0.38 0.05 0.00 -0.12 0.00 0.00 57.88 57.60 1rke h LEU 227 Cb 0.32 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.24 1rke h LEU 227 CO -0.04 0.39 0.40 0.50 -0.62 0.00 0.00 178.44 179.08 1rke h LYS 228 N -0.82 0.73 -1.00 1.25 3.11 -0.92 -0.99 116.57 117.93 1rke h LYS 228 Ca -0.02 -0.04 0.06 0.00 -2.81 0.00 0.00 60.65 57.83 1rke h LYS 228 Cb 0.54 -0.17 -0.07 0.00 -1.00 0.00 0.00 32.23 31.54 1rke h LYS 228 CO 0.03 0.48 0.65 -0.91 -2.81 0.00 0.00 179.45 176.90 1rke h ASN 229 N 0.75 1.05 -0.03 4.20 2.35 -0.56 0.31 115.58 123.67 1rke h ASN 229 Ca 0.30 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 1rke h ASN 229 Cb 0.15 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1rke h ASN 229 CO -0.16 0.68 -0.03 -0.09 -1.65 0.00 0.00 177.43 176.18 1rke h ARG 230 N 1.20 0.07 -0.89 0.81 2.43 -1.16 -2.96 114.38 113.88 1rke h ARG 230 Ca 0.42 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.58 1rke h ARG 230 Cb 0.13 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 1rke h ARG 230 CO -0.16 0.56 0.59 -0.91 -1.51 0.00 0.00 179.97 178.54 1rke h ASN 231 N -0.42 0.99 -0.49 -3.80 2.35 -0.70 -1.21 115.58 112.30 1rke h ASN 231 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1rke h ASN 231 Cb 0.55 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1rke h ASN 231 CO 0.01 0.70 0.31 0.15 -1.65 0.00 0.00 177.43 176.94 1rke h PHE 232 N 1.16 0.63 -0.35 1.19 3.57 -0.44 -1.29 116.94 121.42 1rke h PHE 232 Ca 0.34 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.81 1rke h PHE 232 Cb -0.06 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 1rke h PHE 232 CO -0.00 0.42 0.08 1.15 -2.23 0.00 0.00 178.31 177.73 1rke h THR 233 N 0.65 1.23 -0.66 4.41 2.02 -1.21 -1.79 112.91 117.55 1rke h THR 233 Ca 0.18 -0.77 0.05 0.00 0.77 0.00 0.00 66.41 66.63 1rke h THR 233 Cb -0.04 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 1rke h THR 233 CO -0.04 0.26 0.44 0.58 0.37 0.00 0.00 175.52 177.13 1rke h VAL 234 N 0.41 1.04 0.02 3.16 2.07 -1.07 -0.82 116.25 121.06 1rke h VAL 234 Ca 0.11 -0.24 -0.21 0.00 0.82 0.00 0.00 66.70 67.18 1rke h VAL 234 Cb 0.32 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1rke h VAL 234 CO 0.00 0.13 -0.94 -0.08 0.02 0.00 0.00 177.57 176.70 1rke h GLU 235 N 0.71 0.16 -0.36 1.57 4.81 -0.80 -1.20 114.58 119.48 1rke h GLU 235 Ca 0.28 -0.20 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 1rke h GLU 235 Cb 0.20 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1rke h GLU 235 CO -0.09 0.99 -0.29 0.87 -0.73 0.00 0.00 179.01 179.76 1rke h LYS 236 N 0.08 0.83 -0.04 1.92 1.57 -0.65 -1.65 116.57 118.63 1rke h LYS 236 Ca -0.05 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1rke h LYS 236 Cb 1.61 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.92 1rke h LYS 236 CO 0.14 1.05 0.02 0.52 -0.57 0.00 0.00 179.45 180.61 1rke h MET 237 N 0.62 0.05 -0.96 3.15 2.86 -1.17 -1.85 114.93 117.64 1rke h MET 237 Ca 0.07 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.78 1rke h MET 237 Cb 0.87 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.45 1rke h MET 237 CO 0.08 0.16 0.60 0.77 1.06 0.00 0.00 176.91 179.58 1rke h SER 238 N -0.07 0.92 -0.54 1.22 0.02 -1.16 -0.52 113.55 113.43 1rke h SER 238 Ca 0.01 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 1rke h SER 238 Cb 0.13 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1rke h SER 238 CO -0.00 0.55 0.09 0.00 -1.14 0.00 0.00 176.83 176.33 1rke h ALA 239 N 1.47 1.07 -0.23 3.77 0.00 -1.06 0.96 119.26 125.25 1rke h ALA 239 Ca 0.44 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1rke h ALA 239 Cb 0.30 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1rke h ALA 239 CO -0.21 0.60 0.02 0.93 0.00 0.00 0.00 179.25 180.58 1rke h GLU 240 N 0.88 0.40 -0.71 0.00 4.39 -0.37 -0.42 114.58 118.75 1rke h GLU 240 Ca 0.18 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 1rke h GLU 240 Cb 0.39 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1rke h GLU 240 CO 0.01 0.56 0.33 0.82 -1.16 0.00 0.00 179.01 179.57 1rke h ILE 241 N 0.18 1.24 -0.29 3.13 2.04 -0.89 -1.23 117.51 121.69 1rke h ILE 241 Ca 0.07 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 1rke h ILE 241 Cb 0.37 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1rke h ILE 241 CO 0.01 0.28 -0.02 0.78 0.00 0.00 0.00 178.15 179.20 1rke h ASN 242 N 1.00 0.41 0.09 1.72 2.35 -0.60 0.00 115.58 120.55 1rke h ASN 242 Ca 0.24 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 1rke h ASN 242 Cb 0.14 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1rke h ASN 242 CO -0.03 0.49 -0.38 -0.08 -1.65 0.00 0.00 177.43 175.78 1rke h GLU 243 N 0.42 0.39 -0.24 0.81 4.57 -0.48 -0.51 114.58 119.54 1rke h GLU 243 Ca 0.09 -0.18 -0.10 0.00 -1.18 0.00 0.00 59.36 57.99 1rke h GLU 243 Cb 0.31 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1rke h GLU 243 CO 0.01 0.71 -0.24 0.82 -1.18 0.00 0.00 179.01 179.14 1rke h ILE 244 N 0.33 1.32 -0.89 2.32 2.04 -0.32 -2.11 117.51 120.20 1rke h ILE 244 Ca 0.03 -1.40 0.01 0.00 1.00 0.00 0.00 64.86 64.50 1rke h ILE 244 Cb 0.82 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 1rke h ILE 244 CO 0.07 0.44 0.59 0.40 0.00 0.00 0.00 178.15 179.64 1rke h ILE 245 N 0.28 1.23 -0.21 -0.67 2.04 -0.83 -1.41 117.51 117.93 1rke h ILE 245 Ca 0.04 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 1rke h ILE 245 Cb 0.79 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1rke h ILE 245 CO 0.06 0.22 -0.04 -0.09 0.00 0.00 0.00 178.15 178.30 1rke h ARG 246 N 1.21 0.40 -0.14 2.37 2.43 -0.83 -3.11 114.38 116.72 1rke h ARG 246 Ca 0.33 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1rke h ARG 246 Cb -0.14 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1rke h ARG 246 CO -0.07 0.63 0.04 0.28 -1.51 0.00 0.00 179.97 179.34 1rke h VAL 247 N 0.14 1.19 -0.28 0.20 2.07 -1.25 -2.65 116.25 115.67 1rke h VAL 247 Ca 0.06 -0.59 0.08 0.00 0.82 0.00 0.00 66.70 67.07 1rke h VAL 247 Cb 0.48 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1rke h VAL 247 CO 0.02 0.18 0.64 -0.07 0.02 0.00 0.00 177.57 178.35 1rke h LEU 248 N 0.03 0.00 -0.32 2.57 3.38 -1.27 0.63 115.31 120.33 1rke h LEU 248 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1rke h LEU 248 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1rke h LEU 248 CO -0.00 0.00 -0.42 0.00 0.09 0.00 0.00 178.44 178.11 1rke n GLN 249 N -3.09 0.50 -2.14 1.13 6.02 -1.00 -4.58 117.38 114.22 1rke n GLN 249 Ca 0.05 -0.32 -0.42 0.00 -0.01 0.00 0.00 57.00 56.29 1rke n GLN 249 Cb 0.75 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.52 1rke n GLN 249 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1rke n LEU 250 N -0.97 6.05 -0.29 1.08 4.77 0.22 -4.57 117.00 123.30 1rke n LEU 250 Ca 0.09 -4.10 0.07 0.00 -0.03 0.00 0.00 56.01 52.04 1rke n LEU 250 Cb 0.35 -1.68 0.11 0.00 -2.33 0.00 0.00 43.42 39.87 1rke n LEU 250 CO 0.31 0.74 0.45 0.35 -1.33 0.00 0.00 177.39 177.91 1rke n THR 251 N 5.47 1.46 -3.71 -5.08 -2.24 -1.26 -4.98 114.28 103.94 1rke n THR 251 Ca 0.50 -1.87 -0.28 0.00 -2.27 0.00 0.00 64.05 60.12 1rke n THR 251 Cb 0.42 -0.03 -0.16 0.00 -2.10 0.00 0.00 70.33 68.46 1rke n THR 251 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1rke s SER 252 N -2.50 3.32 0.47 3.42 0.01 -1.26 -4.90 113.70 112.25 1rke s SER 252 Ca 0.26 -1.12 0.29 0.00 1.31 0.00 0.00 55.95 56.69 1rke s SER 252 Cb 0.24 -0.64 1.36 0.00 0.21 0.00 0.00 66.02 67.19 1rke s SER 252 CO 0.00 -0.36 1.74 4.11 0.41 0.00 0.00 173.24 179.15 1rke h TRP 253 N 8.22 0.37 -0.74 2.43 5.08 -1.83 0.27 115.95 129.75 1rke h TRP 253 Ca -0.16 0.01 0.17 0.00 1.08 0.00 0.00 58.89 59.99 1rke h TRP 253 Cb 1.07 -0.10 -0.13 0.00 -3.00 0.00 0.00 29.16 27.01 1rke h TRP 253 CO 0.31 -0.02 0.04 -0.44 -1.28 0.00 0.00 178.44 177.04 1rke h ASP 254 N 0.17 -0.28 1.49 0.11 3.32 -1.93 -1.14 116.42 118.16 1rke h ASP 254 Ca 0.65 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.89 1rke h ASP 254 Cb 2.12 0.31 0.00 0.00 0.22 0.00 0.00 39.33 41.99 1rke h ASP 254 CO -0.21 -0.15 -0.02 -0.33 -1.72 0.00 0.00 179.24 176.81 1rke h GLU 255 N 0.13 0.00 -2.26 3.56 5.08 -0.87 -3.29 114.58 116.93 1rke h GLU 255 Ca 0.41 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 58.12 1rke h GLU 255 Cb 0.72 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.59 1rke h GLU 255 CO -0.63 0.00 -0.20 -3.47 -1.00 0.00 0.00 179.01 173.72 1rke n ASP 256 N -2.31 5.27 -4.87 1.42 4.64 -0.44 -5.07 116.55 115.18 1rke n ASP 256 Ca 0.05 -3.69 -0.30 0.00 -1.38 0.00 0.00 54.79 49.47 1rke n ASP 256 Cb 0.44 -0.72 -0.01 0.00 -1.04 0.00 0.00 41.12 39.78 1rke n ASP 256 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1rke s ALA 257 N -3.71 3.24 -2.00 -1.67 0.00 -1.15 -4.54 121.76 111.93 1rke s ALA 257 Ca 0.46 -0.17 0.30 0.00 0.00 0.00 0.00 51.96 52.56 1rke s ALA 257 Cb 0.26 -2.85 1.81 0.00 0.00 0.00 0.00 23.12 22.33 1rke s ALA 257 CO -0.14 -0.31 2.14 0.91 0.00 0.00 0.00 175.76 178.36