#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nul s LYS 4 N 0.00 4.28 -0.60 3.44 1.02 -1.26 -4.66 119.74 121.96 1nul s LYS 4 Ca 0.00 2.24 -0.18 0.00 0.02 0.00 0.00 55.97 58.05 1nul s LYS 4 Cb 0.00 -3.15 0.11 0.00 -0.52 0.00 0.00 37.83 34.27 1nul s LYS 4 CO 0.00 -0.43 0.70 -0.47 -0.92 0.00 0.00 175.35 174.23 1nul s TYR 5 N 0.36 3.04 -0.07 3.18 5.04 0.57 -5.02 117.35 124.46 1nul s TYR 5 Ca 0.61 -1.03 -0.21 0.00 -2.44 0.00 0.00 57.07 54.01 1nul s TYR 5 Cb -0.41 -4.00 -0.04 0.00 0.35 0.00 0.00 41.96 37.86 1nul s TYR 5 CO 0.39 -1.27 0.59 0.42 -1.34 0.00 0.00 175.55 174.34 1nul s ILE 6 N 2.52 5.07 -0.27 3.14 -1.09 -1.26 -0.89 121.20 128.41 1nul s ILE 6 Ca 0.11 1.22 -0.05 0.00 -2.23 0.00 0.00 60.65 59.71 1nul s ILE 6 Cb -0.24 -3.93 0.02 0.00 -1.58 0.00 0.00 42.46 36.72 1nul s ILE 6 CO 0.05 0.32 0.02 -0.69 -1.23 0.00 0.00 174.94 173.41 1nul s VAL 7 N 0.50 3.49 0.53 2.92 1.01 -0.51 -4.95 120.40 123.39 1nul s VAL 7 Ca 0.32 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 1nul s VAL 7 Cb -0.17 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1nul s VAL 7 CO 0.15 0.13 0.81 0.42 0.00 0.00 0.00 175.10 176.62 1nul s THR 8 N 1.42 3.84 0.23 3.92 -4.23 -1.26 -2.64 115.64 116.92 1nul s THR 8 Ca 0.02 -0.17 -0.07 0.00 -1.18 0.00 0.00 61.69 60.29 1nul s THR 8 Cb -0.17 -3.48 0.19 0.00 1.34 0.00 0.00 72.50 70.38 1nul s THR 8 CO -0.01 -0.44 1.84 -0.50 -0.54 0.00 0.00 174.62 174.97 1nul h TRP 9 N 0.05 0.88 -0.76 3.99 4.06 -1.99 -1.21 115.95 120.98 1nul h TRP 9 Ca -0.46 0.03 0.01 0.00 2.06 0.00 0.00 58.89 60.53 1nul h TRP 9 Cb 1.25 -0.28 -0.04 0.00 -1.00 0.00 0.00 29.16 29.09 1nul h TRP 9 CO 0.47 0.44 0.50 -0.44 -3.56 0.00 0.00 178.44 175.85 1nul h ASP 10 N 0.87 0.86 -0.29 -3.49 3.32 -1.99 -1.11 116.42 114.60 1nul h ASP 10 Ca 0.35 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.23 1nul h ASP 10 Cb 0.18 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1nul h ASP 10 CO -0.18 0.62 -0.39 0.24 -1.72 0.00 0.00 179.24 177.81 1nul h MET 11 N 1.02 0.77 -0.53 3.56 2.86 -1.83 -2.27 114.93 118.51 1nul h MET 11 Ca 0.28 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1nul h MET 11 Cb -0.11 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 1nul h MET 11 CO -0.06 1.07 0.34 1.25 1.06 0.00 0.00 176.91 180.57 1nul h LEU 12 N 0.52 0.62 -0.91 1.22 5.85 -0.97 -1.48 115.31 120.16 1nul h LEU 12 Ca 0.03 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1nul h LEU 12 Cb 0.98 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 1nul h LEU 12 CO 0.09 0.47 0.56 -0.61 -0.34 0.00 0.00 178.44 178.61 1nul h GLN 13 N 0.72 1.23 -0.71 1.25 4.15 -1.13 -0.52 115.11 120.10 1nul h GLN 13 Ca 0.19 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.45 1nul h GLN 13 Cb -0.06 -0.26 -0.03 0.00 0.21 0.00 0.00 27.48 27.34 1nul h GLN 13 CO -0.04 0.86 0.22 0.82 -1.93 0.00 0.00 178.83 178.75 1nul h ILE 14 N 1.25 1.26 -0.39 2.39 2.04 -0.89 -2.05 117.51 121.12 1nul h ILE 14 Ca 0.33 -0.89 -0.13 0.00 1.00 0.00 0.00 64.86 65.16 1nul h ILE 14 Cb -0.07 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1nul h ILE 14 CO -0.06 0.35 -0.28 0.45 0.00 0.00 0.00 178.15 178.61 1nul h HIS 15 N 1.06 1.02 -0.59 1.37 3.86 -0.60 -2.60 115.15 118.67 1nul h HIS 15 Ca 0.23 -0.28 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 1nul h HIS 15 Cb 0.30 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 1nul h HIS 15 CO 0.02 1.08 0.22 0.00 0.86 0.00 0.00 177.93 180.11 1nul h ALA 16 N 0.79 1.29 -0.18 2.45 0.00 -0.92 -2.07 119.26 120.62 1nul h ALA 16 Ca 0.07 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1nul h ALA 16 Cb 0.86 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1nul h ALA 16 CO 0.07 0.52 -0.42 0.00 0.00 0.00 0.00 179.25 179.43 1nul h ARG 17 N 0.84 0.43 -0.61 0.00 3.08 -1.27 -0.68 114.38 116.18 1nul h ARG 17 Ca 0.20 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 1nul h ARG 17 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1nul h ARG 17 CO -0.02 0.78 0.16 0.87 -1.07 0.00 0.00 179.97 180.69 1nul h LYS 18 N 0.36 0.97 -0.53 0.04 1.57 -1.02 -2.07 116.57 115.89 1nul h LYS 18 Ca 0.03 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.48 1nul h LYS 18 Cb 0.89 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1nul h LYS 18 CO 0.07 0.88 -0.07 1.25 -0.57 0.00 0.00 179.45 181.02 1nul h LEU 19 N 0.89 0.95 -0.27 2.94 5.85 -1.16 -3.00 115.31 121.51 1nul h LEU 19 Ca 0.19 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1nul h LEU 19 Cb 0.34 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1nul h LEU 19 CO 0.00 1.05 0.17 0.00 -0.34 0.00 0.00 178.44 179.31 1nul h ALA 20 N 1.04 0.35 0.00 1.25 0.00 -0.80 -2.09 119.26 119.02 1nul h ALA 20 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1nul h ALA 20 Cb 0.60 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1nul h ALA 20 CO 0.04 -0.15 -0.05 0.66 0.00 0.00 0.00 179.25 179.75 1nul h SER 21 N 0.35 0.00 1.77 0.00 4.64 -1.31 -0.24 113.55 118.76 1nul h SER 21 Ca 0.10 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 1nul h SER 21 Cb 0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1nul h SER 21 CO -0.02 0.05 -0.23 -0.09 -0.87 0.00 0.00 176.83 175.67 1nul h ARG 22 N 0.00 0.00 -0.14 4.77 2.43 -1.26 -3.25 114.38 116.94 1nul h ARG 22 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1nul h ARG 22 Cb 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1nul h ARG 22 CO 0.01 0.15 0.00 1.28 -1.51 0.00 0.00 179.97 179.90 1nul n LEU 23 N -3.11 1.94 -4.78 3.80 4.77 -0.11 -4.94 117.00 114.57 1nul n LEU 23 Ca 0.03 -0.76 -0.36 0.00 -0.03 0.00 0.00 56.01 54.89 1nul n LEU 23 Cb 0.60 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1nul n LEU 23 CO 0.36 0.38 0.79 -0.04 -1.33 0.00 0.00 177.39 177.55 1nul s MET 24 N -1.83 3.62 0.37 3.23 -1.94 -1.15 -4.21 119.30 117.39 1nul s MET 24 Ca 0.34 1.64 -0.25 0.00 -1.71 0.00 0.00 55.69 55.71 1nul s MET 24 Cb 0.19 -2.21 -0.09 0.00 2.01 0.00 0.00 34.83 34.73 1nul s MET 24 CO 0.29 -0.63 1.05 -2.14 -0.01 0.00 0.00 175.02 173.58 1nul s PRO 25 N -3.00 4.27 0.32 2.03 0.02 -1.26 -5.09 135.00 132.30 1nul s PRO 25 Ca 0.67 1.55 0.02 0.00 0.02 0.00 0.00 61.00 63.27 1nul s PRO 25 Cb -0.25 -2.67 0.54 0.00 0.02 0.00 0.00 34.50 32.15 1nul s PRO 25 CO 0.29 -0.05 1.88 1.03 -0.33 0.00 0.00 177.00 179.82 1nul h SER 26 N 2.77 0.62 -0.89 2.53 0.87 -1.89 -3.05 113.55 114.52 1nul h SER 26 Ca -0.48 -0.10 0.26 0.00 -1.23 0.00 0.00 61.79 60.24 1nul h SER 26 Cb 1.21 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 1nul h SER 26 CO 0.63 0.62 0.72 -0.33 -0.53 0.00 0.00 176.83 177.94 1nul h GLU 27 N 0.66 0.00 0.00 2.24 3.07 -1.92 -0.22 114.58 118.41 1nul h GLU 27 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 1nul h GLU 27 Cb 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1nul h GLU 27 CO -0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 1nul n GLN 28 N -4.00 0.11 -4.45 2.33 10.64 -1.15 -4.77 117.38 116.09 1nul n GLN 28 Ca 0.19 0.21 -0.34 0.00 -1.83 0.00 0.00 57.00 55.23 1nul n GLN 28 Cb 1.03 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.81 1nul n GLN 28 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 1nul s TRP 29 N -2.75 3.03 -0.08 2.61 0.52 -0.10 -4.89 118.94 117.29 1nul s TRP 29 Ca 0.10 0.08 0.00 0.00 0.02 0.00 0.00 56.10 56.30 1nul s TRP 29 Cb 0.09 -1.71 -0.25 0.00 -1.15 0.00 0.00 33.47 30.44 1nul s TRP 29 CO 0.22 0.41 0.52 0.87 0.02 0.00 0.00 176.95 178.99 1nul h LYS 30 N 4.91 0.18 0.00 4.98 1.57 -0.88 -3.50 116.57 123.83 1nul h LYS 30 Ca -0.49 -0.30 0.30 0.00 -1.87 0.00 0.00 60.65 58.28 1nul h LYS 30 Cb 1.18 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.54 1nul h LYS 30 CO 0.54 0.96 0.76 0.41 -0.57 0.00 0.00 179.45 181.56 1nul n GLY 31 N 1.81 0.22 3.18 3.86 0.00 -1.25 -4.66 105.19 108.36 1nul n GLY 31 Ca -0.25 -0.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 1nul n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nul s ILE 32 N -2.02 1.48 -0.26 -0.61 1.01 -0.35 -1.91 121.20 118.54 1nul s ILE 32 Ca 0.25 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 1nul s ILE 32 Cb -0.00 -1.23 0.04 0.00 0.01 0.00 0.00 42.46 41.27 1nul s ILE 32 CO -0.01 0.42 -0.06 -0.63 0.00 0.00 0.00 174.94 174.65 1nul s ILE 33 N -0.40 2.71 -0.07 2.92 1.01 0.66 -0.60 121.20 127.43 1nul s ILE 33 Ca 0.06 -1.27 -0.18 0.00 0.00 0.00 0.00 60.65 59.26 1nul s ILE 33 Cb -0.08 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 1nul s ILE 33 CO -0.00 0.07 0.50 0.00 0.00 0.00 0.00 174.94 175.50 1nul s ALA 34 N 1.25 3.51 -0.17 9.38 0.00 0.03 -1.40 121.76 134.36 1nul s ALA 34 Ca -0.03 -0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 1nul s ALA 34 Cb -0.18 -2.64 -0.00 0.00 0.00 0.00 0.00 23.12 20.30 1nul s ALA 34 CO -0.04 0.11 1.01 0.08 0.00 0.00 0.00 175.76 176.93 1nul s VAL 35 N 0.17 4.74 0.11 0.00 1.01 -0.39 -2.12 120.40 123.91 1nul s VAL 35 Ca 0.27 2.02 -0.28 0.00 0.00 0.00 0.00 61.98 63.99 1nul s VAL 35 Cb -0.16 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 1nul s VAL 35 CO 0.13 -0.08 0.89 -0.55 0.00 0.00 0.00 175.10 175.49 1nul s SER 36 N 1.15 7.42 -0.03 3.32 0.15 -0.80 0.26 113.70 125.18 1nul s SER 36 Ca 0.46 1.70 0.20 0.00 0.70 0.00 0.00 55.95 59.00 1nul s SER 36 Cb -0.17 -2.55 -0.30 0.00 -1.71 0.00 0.00 66.02 61.29 1nul s SER 36 CO 0.12 -0.00 0.43 0.54 1.20 0.00 0.00 173.24 175.53 1nul n ARG 37 N 2.60 0.59 -0.34 5.44 1.74 -1.26 -4.67 116.66 120.75 1nul n ARG 37 Ca 0.00 -0.18 0.15 0.00 -0.77 0.00 0.00 57.85 57.05 1nul n ARG 37 Cb 0.49 -1.46 0.35 0.00 -1.02 0.00 0.00 32.46 30.81 1nul n ARG 37 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1nul h GLY 38 N 3.58 1.80 1.30 -0.13 0.00 -1.97 -1.65 103.07 106.00 1nul h GLY 38 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1nul h GLY 38 CO 0.00 -0.17 -0.03 0.61 0.00 0.00 0.00 176.54 176.95 1nul n GLY 39 N -1.32 -1.15 0.05 4.60 0.00 0.14 -3.92 105.19 103.60 1nul n GLY 39 Ca 0.25 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 1nul n GLY 39 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1nul h LEU 40 N 0.16 -0.02 -0.13 0.99 3.38 -1.34 0.71 115.31 119.05 1nul h LEU 40 Ca 0.00 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1nul h LEU 40 Cb 0.26 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1nul h LEU 40 CO 0.00 0.00 -0.19 0.58 0.09 0.00 0.00 178.44 178.92 1nul h VAL 41 N -0.04 1.37 -0.47 1.22 2.07 -1.77 -1.00 116.25 117.62 1nul h VAL 41 Ca -0.00 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 1nul h VAL 41 Cb 0.04 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1nul h VAL 41 CO 0.00 0.42 0.26 -0.65 0.02 0.00 0.00 177.57 177.62 1nul h PRO 42 N -0.05 0.63 -0.34 1.57 0.11 -1.76 -1.32 132.00 130.84 1nul h PRO 42 Ca 0.01 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1nul h PRO 42 Cb 0.76 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 1nul h PRO 42 CO 0.04 0.47 0.12 0.78 -0.21 0.00 0.00 178.00 179.20 1nul h GLY 43 N 0.71 0.57 1.21 -0.55 0.00 -0.75 -1.49 103.07 102.77 1nul h GLY 43 Ca 0.17 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1nul h GLY 43 CO -0.03 0.30 0.39 0.00 0.00 0.00 0.00 176.54 177.21 1nul h ALA 44 N 0.96 1.30 -0.41 3.60 0.00 -0.64 0.18 119.26 124.26 1nul h ALA 44 Ca 0.11 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1nul h ALA 44 Cb 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1nul h ALA 44 CO -0.01 0.56 0.03 -0.07 0.00 0.00 0.00 179.25 179.77 1nul h LEU 45 N 1.03 0.68 -0.68 0.00 3.38 -1.00 -1.62 115.31 117.11 1nul h LEU 45 Ca 0.26 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1nul h LEU 45 Cb 0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1nul h LEU 45 CO -0.04 0.80 0.18 -0.07 0.09 0.00 0.00 178.44 179.40 1nul h LEU 46 N 0.54 1.02 -0.69 1.67 3.38 -0.96 -1.47 115.31 118.80 1nul h LEU 46 Ca 0.12 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 57.94 1nul h LEU 46 Cb 0.43 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1nul h LEU 46 CO 0.02 0.98 0.36 0.00 0.09 0.00 0.00 178.44 179.88 1nul h ALA 47 N 1.08 0.93 -0.08 1.53 0.00 -0.68 0.12 119.26 122.16 1nul h ALA 47 Ca 0.21 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1nul h ALA 47 Cb 0.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1nul h ALA 47 CO -0.00 -0.01 -0.05 -0.09 0.00 0.00 0.00 179.25 179.10 1nul h ARG 48 N 0.63 0.18 -0.29 0.00 1.12 -0.97 -0.95 114.38 114.09 1nul h ARG 48 Ca 0.33 -0.08 -0.07 0.00 -1.11 0.00 0.00 59.98 59.04 1nul h ARG 48 Cb 0.29 -0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.23 1nul h ARG 48 CO -0.23 0.55 -0.13 0.93 -3.11 0.00 0.00 179.97 177.98 1nul h GLU 49 N -0.21 0.50 -0.19 0.20 4.39 -0.98 -3.04 114.58 115.26 1nul h GLU 49 Ca 0.02 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1nul h GLU 49 Cb 0.50 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1nul h GLU 49 CO 0.01 0.63 0.00 1.28 -1.16 0.00 0.00 179.01 179.77 1nul n LEU 50 N -4.20 3.00 -2.37 1.33 4.77 0.00 -4.96 117.00 114.57 1nul n LEU 50 Ca 0.01 -1.15 -0.20 0.00 -0.03 0.00 0.00 56.01 54.63 1nul n LEU 50 Cb 0.33 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1nul n LEU 50 CO 0.40 0.58 -0.21 0.61 -1.33 0.00 0.00 177.39 177.44 1nul n GLY 51 N 1.39 -0.45 3.62 -0.72 0.00 -0.64 -4.83 105.19 103.56 1nul n GLY 51 Ca 0.17 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1nul n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nul s ILE 52 N -3.02 5.08 -0.13 -0.61 1.01 -0.46 -4.94 121.20 118.13 1nul s ILE 52 Ca 0.05 0.86 0.22 0.00 0.00 0.00 0.00 60.65 61.78 1nul s ILE 52 Cb -0.02 -3.82 -0.17 0.00 0.01 0.00 0.00 42.46 38.46 1nul s ILE 52 CO 0.07 0.10 0.75 0.54 0.00 0.00 0.00 174.94 176.40 1nul n ARG 53 N 5.43 0.63 -2.75 2.79 1.74 -1.26 -4.64 116.66 118.60 1nul n ARG 53 Ca -0.05 -0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.58 1nul n ARG 53 Cb 0.50 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 1nul n ARG 53 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1nul s HIS 54 N -3.41 2.65 -0.12 -1.55 2.46 -1.26 -4.98 115.29 109.07 1nul s HIS 54 Ca -0.04 -0.65 0.03 0.00 0.47 0.00 0.00 55.06 54.86 1nul s HIS 54 Cb 0.12 -4.44 0.01 0.00 -0.13 0.00 0.00 32.58 28.13 1nul s HIS 54 CO 0.85 -1.77 -0.21 0.08 -2.47 0.00 0.00 174.74 171.21 1nul s VAL 55 N 4.34 1.97 0.45 0.89 1.01 -1.26 -1.21 120.40 126.60 1nul s VAL 55 Ca 0.31 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1nul s VAL 55 Cb -0.09 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1nul s VAL 55 CO 0.04 0.54 0.07 -0.62 0.00 0.00 0.00 175.10 175.12 1nul s ASP 56 N 0.72 3.41 0.09 3.32 -1.08 0.23 -4.98 116.67 118.38 1nul s ASP 56 Ca -0.10 -1.65 0.01 0.00 -0.52 0.00 0.00 52.55 50.29 1nul s ASP 56 Cb -0.16 0.46 -0.04 0.00 -1.46 0.00 0.00 42.92 41.72 1nul s ASP 56 CO 0.01 -0.87 -0.06 0.42 0.52 0.00 0.00 175.17 175.19 1nul s THR 57 N -3.05 0.61 -0.09 1.71 -4.23 -1.26 -0.79 115.64 108.54 1nul s THR 57 Ca 0.17 -1.92 -0.00 0.00 -1.18 0.00 0.00 61.69 58.76 1nul s THR 57 Cb 0.03 -1.67 0.02 0.00 1.34 0.00 0.00 72.50 72.22 1nul s THR 57 CO 0.10 -0.88 -0.06 0.54 -0.54 0.00 0.00 174.62 173.77 1nul s VAL 58 N -3.68 0.84 -0.38 2.29 0.11 -0.90 -2.42 120.40 116.26 1nul s VAL 58 Ca 0.11 -0.19 -0.03 0.00 -2.93 0.00 0.00 61.98 58.95 1nul s VAL 58 Cb 0.06 -0.89 0.10 0.00 -1.53 0.00 0.00 36.38 34.12 1nul s VAL 58 CO -0.05 0.33 0.16 0.00 -3.33 0.00 0.00 175.10 172.21 1nul s ILE 60 N 1.17 1.27 -0.74 0.00 -4.36 -1.26 0.18 121.20 117.46 1nul s ILE 60 Ca 0.05 -1.03 -0.06 0.00 -0.26 0.00 0.00 60.65 59.35 1nul s ILE 60 Cb -0.22 -1.13 0.19 0.00 1.25 0.00 0.00 42.46 42.55 1nul s ILE 60 CO -0.03 0.08 0.60 -0.69 0.24 0.00 0.00 174.94 175.14 1nul s VAL 73 N -0.81 4.45 0.25 8.37 1.01 -1.26 -5.06 120.40 127.35 1nul s VAL 73 Ca 0.03 -2.95 -0.00 0.00 0.00 0.00 0.00 61.98 59.06 1nul s VAL 73 Cb -0.08 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.53 1nul s VAL 73 CO 0.01 -0.96 1.67 -0.07 0.00 0.00 0.00 175.10 175.75 1nul h LEU 74 N 7.11 0.60 -7.00 3.92 3.38 -0.69 -3.45 115.31 119.18 1nul h LEU 74 Ca 0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1nul h LEU 74 Cb 0.96 -0.16 -0.21 0.00 0.09 0.00 0.00 40.66 41.33 1nul h LEU 74 CO 0.75 0.85 0.22 -0.75 0.09 0.00 0.00 178.44 179.60 1nul s LYS 75 N -4.50 0.86 -0.08 1.13 2.36 -1.09 -5.00 119.74 113.43 1nul s LYS 75 Ca -0.08 0.61 -0.11 0.00 -2.55 0.00 0.00 55.97 53.84 1nul s LYS 75 Cb 0.13 0.41 0.03 0.00 -1.05 0.00 0.00 37.83 37.35 1nul s LYS 75 CO 0.81 -0.19 0.28 -0.98 1.55 0.00 0.00 175.35 176.82 1nul s ARG 76 N -0.35 0.41 0.39 4.03 1.70 -1.26 0.16 118.95 124.03 1nul s ARG 76 Ca -0.04 0.24 -0.26 0.00 -0.47 0.00 0.00 55.73 55.21 1nul s ARG 76 Cb -0.03 0.19 -0.09 0.00 -0.57 0.00 0.00 34.95 34.46 1nul s ARG 76 CO 0.04 -0.07 1.20 0.00 -1.08 0.00 0.00 175.30 175.39 1nul s ALA 77 N -0.21 3.20 1.16 7.88 0.00 -1.02 -4.98 121.76 127.79 1nul s ALA 77 Ca -0.03 1.04 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 1nul s ALA 77 Cb -0.03 -3.41 0.28 0.00 0.00 0.00 0.00 23.12 19.96 1nul s ALA 77 CO 0.01 -0.59 1.03 -1.21 0.00 0.00 0.00 175.76 175.00 1nul s GLU 78 N -2.22 -0.91 0.88 0.00 2.02 -1.26 -4.94 118.70 112.28 1nul s GLU 78 Ca 0.56 0.84 0.00 0.00 0.02 0.00 0.00 54.97 56.39 1nul s GLU 78 Cb -0.33 -1.55 0.00 0.00 0.10 0.00 0.00 34.13 32.35 1nul s GLU 78 CO 0.42 -3.72 0.00 0.41 0.02 0.00 0.00 175.26 172.39 1nul n GLY 79 N 0.75 -2.10 0.60 -1.39 0.00 -1.26 -4.57 105.19 97.22 1nul n GLY 79 Ca 0.03 -1.43 0.08 0.00 0.00 0.00 0.00 46.02 44.70 1nul n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nul n ASP 80 N 0.58 3.26 0.00 1.61 5.68 -1.26 -4.77 116.55 121.65 1nul n ASP 80 Ca 0.00 -2.84 0.00 0.00 -0.50 0.00 0.00 54.79 51.45 1nul n ASP 80 Cb 0.00 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.54 1nul n ASP 80 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nul n GLY 81 N -0.61 0.43 3.67 6.12 0.00 -1.26 -1.06 105.19 112.48 1nul n GLY 81 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1nul n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nul s GLU 82 N -0.40 4.15 0.00 1.61 2.12 -1.25 -0.89 118.70 124.03 1nul s GLU 82 Ca 0.00 2.53 0.00 0.00 0.36 0.00 0.00 54.97 57.86 1nul s GLU 82 Cb 0.00 -3.97 0.00 0.00 0.26 0.00 0.00 34.13 30.42 1nul s GLU 82 CO 0.00 -0.90 0.00 0.41 -0.54 0.00 0.00 175.26 174.23 1nul n GLY 83 N 4.38 0.89 3.80 -1.50 0.00 -1.26 -4.88 105.19 106.61 1nul n GLY 83 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1nul n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nul s PHE 84 N -3.51 3.20 -0.21 1.61 0.08 -0.07 -0.19 117.98 118.89 1nul s PHE 84 Ca 0.00 0.03 -0.06 0.00 0.12 0.00 0.00 56.93 57.02 1nul s PHE 84 Cb 0.00 -1.57 -0.03 0.00 -0.57 0.00 0.00 43.02 40.86 1nul s PHE 84 CO 0.00 0.52 0.03 0.42 -0.10 0.00 0.00 175.22 176.09 1nul s ILE 85 N -1.62 4.17 -0.18 0.64 1.01 -0.80 -1.66 121.20 122.77 1nul s ILE 85 Ca 0.31 -0.24 -0.07 0.00 0.00 0.00 0.00 60.65 60.65 1nul s ILE 85 Cb -0.11 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1nul s ILE 85 CO 0.23 0.41 0.05 -0.69 0.00 0.00 0.00 174.94 174.94 1nul s VAL 86 N 1.03 4.65 -0.02 2.92 1.01 -0.14 -0.24 120.40 129.61 1nul s VAL 86 Ca 0.03 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1nul s VAL 86 Cb -0.14 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 1nul s VAL 86 CO 0.02 0.47 -0.11 -0.51 0.00 0.00 0.00 175.10 174.96 1nul s ILE 87 N 0.36 0.92 0.27 2.22 2.07 -0.49 -0.87 121.20 125.69 1nul s ILE 87 Ca 0.02 -0.48 0.03 0.00 -1.41 0.00 0.00 60.65 58.81 1nul s ILE 87 Cb -0.13 -0.78 -0.06 0.00 0.13 0.00 0.00 42.46 41.62 1nul s ILE 87 CO 0.00 0.27 0.04 -0.62 -1.91 0.00 0.00 174.94 172.72 1nul s ASP 88 N -0.14 1.88 0.00 4.50 2.15 -0.84 -1.27 116.67 122.95 1nul s ASP 88 Ca 0.02 -1.31 -0.11 0.00 0.43 0.00 0.00 52.55 51.58 1nul s ASP 88 Cb -0.06 0.01 -0.32 0.00 -0.30 0.00 0.00 42.92 42.25 1nul s ASP 88 CO -0.00 -0.60 0.87 -2.24 -0.17 0.00 0.00 175.17 173.03 1nul h ASP 89 N 2.32 0.66 -5.06 -0.34 2.03 -1.89 -3.10 116.42 111.04 1nul h ASP 89 Ca -0.39 -0.82 -0.13 0.00 -0.73 0.00 0.00 57.03 54.95 1nul h ASP 89 Cb 1.24 -0.21 -0.18 0.00 -0.83 0.00 0.00 39.33 39.34 1nul h ASP 89 CO 0.65 1.67 -0.54 -0.22 -1.03 0.00 0.00 179.24 179.78 1nul s LEU 90 N -7.35 1.81 -0.26 0.15 2.96 -1.26 -1.60 118.68 113.13 1nul s LEU 90 Ca -0.11 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.29 1nul s LEU 90 Cb 0.05 0.57 0.08 0.00 0.50 0.00 0.00 46.19 47.39 1nul s LEU 90 CO 0.89 -0.47 0.07 0.54 -1.32 0.00 0.00 176.35 176.06 1nul s VAL 91 N -2.34 0.66 0.00 1.68 0.11 -1.08 -4.99 120.40 114.43 1nul s VAL 91 Ca -0.07 -1.01 0.00 0.00 -2.93 0.00 0.00 61.98 57.97 1nul s VAL 91 Cb -0.03 -1.36 0.00 0.00 -1.53 0.00 0.00 36.38 33.47 1nul s VAL 91 CO -0.03 -0.49 0.00 -0.67 -3.33 0.00 0.00 175.10 170.58 1nul n ASP 92 N 4.96 0.00 -3.73 3.54 -0.08 -1.26 -2.61 116.55 117.37 1nul n ASP 92 Ca -0.05 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.93 1nul n ASP 92 Cb 0.44 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.75 1nul n ASP 92 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1nul s THR 93 N 4.29 0.84 0.00 5.18 2.01 -1.26 -4.07 115.64 122.63 1nul s THR 93 Ca 0.00 -1.36 0.00 0.00 0.31 0.00 0.00 61.69 60.64 1nul s THR 93 Cb 0.00 -1.63 0.00 0.00 0.01 0.00 0.00 72.50 70.88 1nul s THR 93 CO 0.00 -0.67 0.00 0.35 -0.69 0.00 0.00 174.62 173.61 1nul n THR 96 N 4.86 0.00 -0.24 -0.82 -2.24 -1.26 -5.12 114.28 109.46 1nul n THR 96 Ca -0.02 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 61.95 1nul n THR 96 Cb 0.42 0.00 0.52 0.00 -2.10 0.00 0.00 70.33 69.18 1nul n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nul h ALA 97 N 0.00 2.24 -0.05 6.98 0.00 -1.96 0.90 119.26 127.38 1nul h ALA 97 Ca 0.00 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1nul h ALA 97 Cb 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nul h ALA 97 CO 0.00 -0.53 -0.73 0.28 0.00 0.00 0.00 179.25 178.28 1nul h VAL 98 N 0.38 1.35 -0.71 0.00 2.07 -1.97 -1.56 116.25 115.82 1nul h VAL 98 Ca 0.47 -2.05 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 1nul h VAL 98 Cb 1.21 2.35 -0.03 0.00 -1.52 0.00 0.00 31.29 33.29 1nul h VAL 98 CO -0.17 0.62 0.44 0.00 0.02 0.00 0.00 177.57 178.48 1nul h ALA 99 N 0.41 0.90 -0.06 1.67 0.00 -1.37 -1.67 119.26 119.13 1nul h ALA 99 Ca -0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1nul h ALA 99 Cb 1.39 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1nul h ALA 99 CO 0.15 0.36 0.03 0.82 0.00 0.00 0.00 179.25 180.60 1nul h ILE 100 N 0.96 1.14 -1.02 0.00 1.08 -0.97 -0.60 117.51 118.11 1nul h ILE 100 Ca 0.25 -0.42 0.25 0.00 -0.39 0.00 0.00 64.86 64.55 1nul h ILE 100 Cb -0.05 1.31 -0.10 0.00 -3.07 0.00 0.00 36.82 34.91 1nul h ILE 100 CO -0.05 0.12 0.64 -0.09 -0.69 0.00 0.00 178.15 178.08 1nul h ARG 101 N -0.06 0.46 0.00 2.37 9.65 -0.75 1.00 114.38 127.05 1nul h ARG 101 Ca 0.02 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1nul h ARG 101 Cb 0.17 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1nul h ARG 101 CO -0.00 0.31 -1.26 -0.85 2.80 0.00 0.00 179.97 180.97 1nul n GLU 102 N -4.67 0.62 0.09 0.20 0.28 -0.68 -3.29 120.64 113.18 1nul n GLU 102 Ca 0.25 0.04 -0.23 0.00 -0.16 0.00 0.00 57.16 57.06 1nul n GLU 102 Cb 0.80 -1.75 -0.15 0.00 1.43 0.00 0.00 31.44 31.77 1nul n GLU 102 CO 0.00 0.00 0.00 1.98 -0.16 0.00 0.00 177.13 178.95 1nul h MET 103 N 0.00 0.41 -2.16 3.44 4.05 0.30 -3.38 114.93 117.59 1nul h MET 103 Ca 0.00 -0.70 -0.58 0.00 -0.28 0.00 0.00 59.70 58.13 1nul h MET 103 Cb 1.00 0.26 -0.41 0.00 -0.80 0.00 0.00 31.60 31.65 1nul h MET 103 CO 0.00 1.34 -0.73 0.66 0.23 0.00 0.00 176.91 178.41 1nul n TYR 104 N -3.82 2.80 0.31 1.39 4.01 0.21 -4.56 117.16 117.50 1nul n TYR 104 Ca -0.19 -4.00 0.19 0.00 -0.16 0.00 0.00 57.90 53.74 1nul n TYR 104 Cb 1.00 -0.50 1.04 0.00 -0.31 0.00 0.00 39.34 40.57 1nul n TYR 104 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1nul h PRO 105 N 3.87 0.00 -0.63 -0.72 0.13 -1.54 -1.87 132.00 131.24 1nul h PRO 105 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1nul h PRO 105 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1nul h PRO 105 CO 0.75 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.15 1nul n LYS 106 N -3.28 2.87 -3.35 0.86 5.02 -0.23 -4.99 118.16 115.07 1nul n LYS 106 Ca -0.02 -2.55 -0.29 0.00 -2.02 0.00 0.00 58.31 53.43 1nul n LYS 106 Cb 0.17 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1nul n LYS 106 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nul s ALA 107 N -1.11 3.63 -0.50 7.82 0.00 -0.71 -3.86 121.76 127.03 1nul s ALA 107 Ca 0.43 -0.55 -0.20 0.00 0.00 0.00 0.00 51.96 51.63 1nul s ALA 107 Cb 0.23 -2.30 0.05 0.00 0.00 0.00 0.00 23.12 21.10 1nul s ALA 107 CO 0.28 0.27 0.69 -1.58 0.00 0.00 0.00 175.76 175.42 1nul s HIS 108 N -2.06 3.00 -0.27 0.00 2.46 -0.66 -4.93 115.29 112.83 1nul s HIS 108 Ca 0.44 -0.32 -0.21 0.00 0.47 0.00 0.00 55.06 55.43 1nul s HIS 108 Cb -0.11 -3.60 -0.01 0.00 -0.13 0.00 0.00 32.58 28.73 1nul s HIS 108 CO 0.29 -1.06 0.68 0.12 -2.47 0.00 0.00 174.74 172.30 1nul s PHE 109 N 2.94 3.26 0.09 3.88 5.36 -1.26 -0.97 117.98 131.28 1nul s PHE 109 Ca 0.20 0.81 0.03 0.00 -0.96 0.00 0.00 56.93 57.01 1nul s PHE 109 Cb -0.17 -2.95 -0.04 0.00 -0.34 0.00 0.00 43.02 39.53 1nul s PHE 109 CO 0.15 -0.40 -0.10 0.14 -1.46 0.00 0.00 175.22 173.55 1nul s VAL 110 N 2.63 0.90 0.11 3.12 -7.23 -0.04 0.06 120.40 119.95 1nul s VAL 110 Ca 0.28 -1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 58.81 1nul s VAL 110 Cb -0.15 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 1nul s VAL 110 CO 0.10 -0.57 0.03 0.42 -0.31 0.00 0.00 175.10 174.76 1nul s THR 111 N -2.48 0.19 -0.12 5.32 -4.23 -0.93 -1.99 115.64 111.40 1nul s THR 111 Ca 0.05 -1.89 -0.15 0.00 -1.18 0.00 0.00 61.69 58.51 1nul s THR 111 Cb -0.03 -1.92 -0.14 0.00 1.34 0.00 0.00 72.50 71.76 1nul s THR 111 CO -0.00 -0.60 0.42 0.40 -0.54 0.00 0.00 174.62 174.29 1nul h ILE 112 N 2.92 0.94 -2.56 2.99 1.08 -1.39 -3.15 117.51 118.34 1nul h ILE 112 Ca -0.35 -1.69 -0.56 0.00 -0.39 0.00 0.00 64.86 61.87 1nul h ILE 112 Cb 1.18 1.77 -0.08 0.00 -3.07 0.00 0.00 36.82 36.62 1nul h ILE 112 CO 0.61 0.32 -0.60 -0.36 -0.69 0.00 0.00 178.15 177.43 1nul s PHE 113 N -1.95 2.97 -0.12 1.37 0.08 -0.63 -0.20 117.98 119.50 1nul s PHE 113 Ca -0.10 -0.11 -0.06 0.00 0.12 0.00 0.00 56.93 56.78 1nul s PHE 113 Cb -0.02 -1.39 0.05 0.00 -0.57 0.00 0.00 43.02 41.10 1nul s PHE 113 CO 0.37 0.54 0.27 0.00 -0.10 0.00 0.00 175.22 176.29 1nul s ALA 114 N -1.93 -0.62 0.26 5.36 0.00 0.11 -2.65 121.76 122.29 1nul s ALA 114 Ca 0.30 1.06 -0.07 0.00 0.00 0.00 0.00 51.96 53.25 1nul s ALA 114 Cb -0.09 -0.72 -0.06 0.00 0.00 0.00 0.00 23.12 22.25 1nul s ALA 114 CO 0.22 -0.26 0.55 0.15 0.00 0.00 0.00 175.76 176.42 1nul s LYS 115 N 1.42 3.71 0.28 0.00 1.02 -1.07 -1.85 119.74 123.25 1nul s LYS 115 Ca -0.08 0.14 0.03 0.00 0.02 0.00 0.00 55.97 56.08 1nul s LYS 115 Cb -0.10 -2.64 0.72 0.00 -0.52 0.00 0.00 37.83 35.29 1nul s LYS 115 CO -0.09 0.26 1.39 -2.30 -0.92 0.00 0.00 175.35 173.68 1nul n PRO 116 N -0.57 -0.07 0.27 -1.68 -0.02 -1.25 0.03 135.00 131.71 1nul n PRO 116 Ca -0.01 1.31 0.15 0.00 -2.02 0.00 0.00 63.50 62.93 1nul n PRO 116 Cb 0.53 -2.11 0.70 0.00 -0.02 0.00 0.00 33.50 32.60 1nul n PRO 116 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nul h ALA 117 N 1.77 1.09 0.00 3.55 0.00 -1.92 -3.08 119.26 120.66 1nul h ALA 117 Ca 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1nul h ALA 117 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1nul h ALA 117 CO -0.82 0.12 -1.38 0.41 0.00 0.00 0.00 179.25 177.59 1nul n GLY 118 N -0.26 -1.27 0.31 0.00 0.00 0.10 -4.57 105.19 99.51 1nul n GLY 118 Ca -0.01 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.71 1nul n GLY 118 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nul h ARG 119 N 0.00 0.02 0.00 1.61 3.08 -1.36 0.34 114.38 118.06 1nul h ARG 119 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nul h ARG 119 Cb 0.97 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1nul h ARG 119 CO 0.00 0.01 0.00 -0.35 -1.07 0.00 0.00 179.97 178.56 1nul n PRO 120 N -5.51 0.24 0.13 0.04 -0.04 -1.26 -3.36 135.00 125.25 1nul n PRO 120 Ca 0.14 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.79 1nul n PRO 120 Cb 0.48 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.63 1nul n PRO 120 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1nul h LEU 121 N 0.00 0.00 -9.49 1.53 3.38 -1.21 -3.46 115.31 106.06 1nul h LEU 121 Ca 0.00 -0.05 -0.60 0.00 0.09 0.00 0.00 57.88 57.33 1nul h LEU 121 Cb 0.29 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.93 1nul h LEU 121 CO 0.00 0.02 -0.66 0.68 0.09 0.00 0.00 178.44 178.57 1nul s VAL 122 N -3.21 3.58 -0.31 1.22 -7.23 -1.21 -4.95 120.40 108.29 1nul s VAL 122 Ca 0.06 -1.58 0.20 0.00 -1.81 0.00 0.00 61.98 58.85 1nul s VAL 122 Cb 0.10 -2.82 0.19 0.00 0.56 0.00 0.00 36.38 34.41 1nul s VAL 122 CO 0.69 -0.17 1.48 0.44 -0.31 0.00 0.00 175.10 177.22 1nul h ASP 123 N 2.53 0.00 -4.24 4.85 3.32 -0.69 -3.47 116.42 118.72 1nul h ASP 123 Ca -0.46 0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.70 1nul h ASP 123 Cb 1.21 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.56 1nul h ASP 123 CO 0.58 0.21 0.58 -0.62 -1.72 0.00 0.00 179.24 178.27 1nul s ASP 124 N -6.23 -0.33 0.23 6.45 2.15 -1.13 -5.02 116.67 112.79 1nul s ASP 124 Ca 0.05 0.23 -0.18 0.00 0.43 0.00 0.00 52.55 53.08 1nul s ASP 124 Cb 0.06 0.30 0.02 0.00 -0.30 0.00 0.00 42.92 43.00 1nul s ASP 124 CO 0.71 -0.40 0.57 -0.72 -0.17 0.00 0.00 175.17 175.16 1nul s TYR 125 N -1.82 -0.04 -0.22 -5.34 1.13 -1.26 -2.18 117.35 107.62 1nul s TYR 125 Ca 0.02 -0.33 -0.06 0.00 -1.41 0.00 0.00 57.07 55.28 1nul s TYR 125 Cb -0.01 0.44 -0.11 0.00 -1.10 0.00 0.00 41.96 41.18 1nul s TYR 125 CO -0.02 -1.02 -0.25 0.28 -2.51 0.00 0.00 175.55 172.03 1nul n VAL 126 N -0.38 1.23 -4.88 -3.49 0.31 0.16 -4.99 118.33 106.28 1nul n VAL 126 Ca -0.07 -0.37 -0.33 0.00 -0.01 0.00 0.00 64.34 63.56 1nul n VAL 126 Cb 0.61 -1.58 -0.14 0.00 -0.91 0.00 0.00 33.84 31.82 1nul n VAL 126 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1nul s VAL 127 N -2.42 2.92 -0.25 2.52 1.01 0.73 -5.01 120.40 119.90 1nul s VAL 127 Ca -0.30 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 60.78 1nul s VAL 127 Cb 0.10 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1nul s VAL 127 CO 0.43 0.55 0.44 -1.81 0.00 0.00 0.00 175.10 174.72 1nul s ASP 128 N -0.10 6.37 0.00 3.32 1.01 -1.26 -0.71 116.67 125.30 1nul s ASP 128 Ca -0.02 0.44 0.06 0.00 0.71 0.00 0.00 52.55 53.73 1nul s ASP 128 Cb -0.14 -2.25 -0.02 0.00 1.01 0.00 0.00 42.92 41.53 1nul s ASP 128 CO 0.04 -0.21 -0.18 0.27 0.21 0.00 0.00 175.17 175.29 1nul s ILE 129 N 2.03 1.46 0.67 0.77 -4.36 -0.77 -4.95 121.20 116.05 1nul s ILE 129 Ca 0.19 -0.88 -0.17 0.00 -0.26 0.00 0.00 60.65 59.53 1nul s ILE 129 Cb -0.16 -1.23 -0.02 0.00 1.25 0.00 0.00 42.46 42.31 1nul s ILE 129 CO 0.09 0.34 0.98 -2.65 0.24 0.00 0.00 174.94 173.94 1nul n PRO 130 N 2.42 0.70 0.04 0.37 -0.02 -1.26 -3.86 135.00 133.39 1nul n PRO 130 Ca -0.15 0.29 0.09 0.00 -2.02 0.00 0.00 63.50 61.70 1nul n PRO 130 Cb 0.54 -2.21 0.53 0.00 -0.02 0.00 0.00 33.50 32.33 1nul n PRO 130 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1nul h GLN 131 N 0.09 0.31 -0.08 -0.52 5.75 -1.95 -1.10 115.11 117.62 1nul h GLN 131 Ca -0.48 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1nul h GLN 131 Cb 1.35 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.83 1nul h GLN 131 CO 0.49 0.21 0.00 -0.40 -2.65 0.00 0.00 178.83 176.48 1nul n ASP 132 N -4.48 1.60 -4.65 -0.69 5.68 -1.26 -4.95 116.55 107.80 1nul n ASP 132 Ca 0.04 -1.60 -0.48 0.00 -0.50 0.00 0.00 54.79 52.26 1nul n ASP 132 Cb 0.22 -0.05 -0.05 0.00 -1.14 0.00 0.00 41.12 40.10 1nul n ASP 132 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1nul n THR 133 N 0.26 0.02 -3.43 2.12 -1.04 -0.42 -4.93 114.28 106.86 1nul n THR 133 Ca 0.18 -0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.75 1nul n THR 133 Cb 0.35 -1.35 -0.05 0.00 -1.82 0.00 0.00 70.33 67.46 1nul n THR 133 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1nul s TRP 134 N 0.92 3.48 -0.11 -1.42 -0.00 -1.26 -5.02 118.94 115.52 1nul s TRP 134 Ca 0.81 -1.83 -0.09 0.00 -0.00 0.00 0.00 56.10 54.99 1nul s TRP 134 Cb -0.76 -3.66 -0.04 0.00 -0.00 0.00 0.00 33.47 29.01 1nul s TRP 134 CO 0.41 -0.98 0.19 -1.50 -0.00 0.00 0.00 176.95 175.07 1nul s ILE 135 N 0.90 5.40 -0.14 5.86 2.07 -1.26 -0.31 121.20 133.71 1nul s ILE 135 Ca 0.10 0.34 0.02 0.00 -1.41 0.00 0.00 60.65 59.70 1nul s ILE 135 Cb -0.22 -3.48 0.01 0.00 0.13 0.00 0.00 42.46 38.91 1nul s ILE 135 CO -0.02 0.58 -0.21 -0.70 -1.91 0.00 0.00 174.94 172.68 1nul s GLU 136 N -0.81 2.93 0.32 3.50 2.56 -0.07 -4.94 118.70 122.19 1nul s GLU 136 Ca 0.16 -0.82 -0.12 0.00 0.00 0.00 0.00 54.97 54.19 1nul s GLU 136 Cb -0.13 -2.40 -0.08 0.00 2.00 0.00 0.00 34.13 33.52 1nul s GLU 136 CO 0.05 -0.06 0.69 -0.65 -0.56 0.00 0.00 175.26 174.73 1nul s GLN 137 N 0.93 3.87 0.64 4.30 -1.52 -1.26 -1.42 119.66 125.20 1nul s GLN 137 Ca -0.05 0.47 0.43 0.00 -1.95 0.00 0.00 55.36 54.27 1nul s GLN 137 Cb -0.15 -2.49 2.27 0.00 -0.22 0.00 0.00 33.01 32.42 1nul s GLN 137 CO -0.04 0.15 2.31 -1.00 -0.25 0.00 0.00 175.29 176.45 1nul h PRO 138 N 2.02 0.00 0.00 2.91 0.13 -1.83 -1.92 132.00 133.30 1nul h PRO 138 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1nul h PRO 138 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1nul h PRO 138 CO 0.66 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.76 1nul n TRP 139 N -3.06 0.92 1.01 1.56 2.14 -1.26 -2.83 117.44 115.92 1nul n TRP 139 Ca -0.02 0.29 0.12 0.00 2.07 0.00 0.00 57.50 59.96 1nul n TRP 139 Cb 0.10 -0.97 0.18 0.00 -0.81 0.00 0.00 31.31 29.82 1nul n TRP 139 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1nul n ASP 140 N -2.27 2.79 -3.38 -0.67 8.00 -0.72 -4.97 116.55 115.33 1nul n ASP 140 Ca 0.05 -1.92 -0.16 0.00 0.71 0.00 0.00 54.79 53.47 1nul n ASP 140 Cb 0.38 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.43 1nul n ASP 140 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1nul n MET 141 N 1.16 1.31 0.00 -1.24 2.81 -1.13 -5.03 117.12 115.00 1nul n MET 141 Ca 0.15 -1.85 0.00 0.00 -1.81 0.00 0.00 57.70 54.20 1nul n MET 141 Cb 0.56 0.43 0.00 0.00 -0.71 0.00 0.00 33.22 33.49 1nul n MET 141 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nul n GLY 142 N 1.86 0.49 3.60 3.03 0.00 -1.26 -5.03 105.19 107.88 1nul n GLY 142 Ca -0.08 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 1nul n GLY 142 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nul s VAL 143 N -2.00 4.85 0.11 1.61 -7.23 -1.26 -5.04 120.40 111.44 1nul s VAL 143 Ca 0.00 0.97 0.03 0.00 -1.81 0.00 0.00 61.98 61.17 1nul s VAL 143 Cb 0.00 -4.09 -0.04 0.00 0.56 0.00 0.00 36.38 32.80 1nul s VAL 143 CO 0.00 -0.24 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.78 1nul s VAL 144 N 2.83 0.86 0.25 1.32 1.01 -1.26 -5.13 120.40 120.27 1nul s VAL 144 Ca 0.29 -1.97 -0.31 0.00 0.00 0.00 0.00 61.98 59.99 1nul s VAL 144 Cb -0.14 -1.73 -0.11 0.00 0.00 0.00 0.00 36.38 34.40 1nul s VAL 144 CO 0.13 -0.82 1.63 0.12 0.00 0.00 0.00 175.10 176.16 1nul s PHE 145 N -3.49 2.86 -0.19 5.22 5.36 -1.26 -5.00 117.98 121.48 1nul s PHE 145 Ca 0.13 0.61 0.01 0.00 -0.96 0.00 0.00 56.93 56.72 1nul s PHE 145 Cb 0.04 -4.07 0.04 0.00 -0.34 0.00 0.00 43.02 38.69 1nul s PHE 145 CO -0.03 -3.80 -0.10 0.08 -1.46 0.00 0.00 175.22 169.92 1nul s VAL 146 N 0.56 1.52 0.33 3.12 1.01 -1.26 -5.11 120.40 120.56 1nul s VAL 146 Ca 0.68 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 61.51 1nul s VAL 146 Cb -0.48 -1.60 -0.13 0.00 0.00 0.00 0.00 36.38 34.17 1nul s VAL 146 CO 0.40 0.19 0.94 -2.65 0.00 0.00 0.00 175.10 173.98 1nul n PRO 147 N 4.74 1.21 -1.32 2.72 -0.02 -1.26 -4.93 135.00 136.13 1nul n PRO 147 Ca -0.14 0.43 -0.32 0.00 -2.02 0.00 0.00 63.50 61.44 1nul n PRO 147 Cb 0.47 -1.81 0.09 0.00 -0.02 0.00 0.00 33.50 32.23 1nul n PRO 147 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1nul s PRO 148 N -1.63 2.17 0.25 0.52 0.04 -1.26 -4.91 135.00 130.17 1nul s PRO 148 Ca 0.60 1.38 -0.05 0.00 0.04 0.00 0.00 61.00 62.97 1nul s PRO 148 Cb -0.67 -1.87 0.27 0.00 0.04 0.00 0.00 34.50 32.27 1nul s PRO 148 CO 0.59 -1.74 1.87 0.82 0.04 0.00 0.00 177.00 178.58 1nul h ILE 149 N -0.83 1.25 -3.30 0.56 2.04 -2.02 -3.42 117.51 111.79 1nul h ILE 149 Ca -0.45 -0.62 -0.67 0.00 1.00 0.00 0.00 64.86 64.12 1nul h ILE 149 Cb 1.25 0.10 -0.13 0.00 -0.74 0.00 0.00 36.82 37.30 1nul h ILE 149 CO 0.50 0.28 -0.63 -0.55 0.00 0.00 0.00 178.15 177.75 1nul s SER 150 N -6.29 5.25 0.00 1.72 0.15 -1.26 -4.99 113.70 108.27 1nul s SER 150 Ca -0.12 0.06 0.22 0.00 0.70 0.00 0.00 55.95 56.81 1nul s SER 150 Cb 0.17 -1.42 0.73 0.00 -1.71 0.00 0.00 66.02 63.79 1nul s SER 150 CO 0.82 0.30 1.55 0.61 1.20 0.00 0.00 173.24 177.72 1nul n GLY 151 N 1.54 0.45 0.00 9.45 0.00 -1.26 -5.17 105.19 110.21 1nul n GLY 151 Ca -0.15 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1nul n GLY 151 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19