#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o0y h HIS -2 N 0.00 0.59 -0.51 4.41 2.76 -2.04 -0.11 115.15 120.25 1o0y h HIS -2 Ca 0.00 -0.06 0.08 0.00 -2.20 0.00 0.00 60.37 58.19 1o0y h HIS -2 Cb 0.00 -0.17 -0.06 0.00 1.55 0.00 0.00 27.41 28.72 1o0y h HIS -2 CO 0.00 0.56 0.15 1.25 -1.30 0.00 0.00 177.93 178.59 1o0y h HIS -1 N 0.54 0.26 -0.17 5.26 -0.00 -1.97 0.18 115.15 119.24 1o0y h HIS -1 Ca 0.12 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.53 1o0y h HIS -1 Cb 0.33 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.69 1o0y h HIS -1 CO 0.01 0.05 0.07 1.25 -0.00 0.00 0.00 177.93 179.32 1o0y h HIS 0 N 0.31 0.13 -0.81 5.26 -0.00 -1.54 -0.35 115.15 118.14 1o0y h HIS 0 Ca 0.25 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.64 1o0y h HIS 0 Cb 0.31 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.65 1o0y h HIS 0 CO -0.19 0.07 0.54 0.52 -0.00 0.00 0.00 177.93 178.87 1o0y h MET 1 N 0.16 1.07 -0.58 5.26 2.07 -0.51 -1.83 114.93 120.58 1o0y h MET 1 Ca 0.07 -0.06 -0.10 0.00 -2.07 0.00 0.00 59.70 57.54 1o0y h MET 1 Cb 0.03 -0.24 -0.02 0.00 -1.87 0.00 0.00 31.60 29.50 1o0y h MET 1 CO -0.06 0.71 -0.03 0.82 1.07 0.00 0.00 176.91 179.41 1o0y h ILE 2 N 1.10 1.26 -0.99 -1.22 2.04 -0.25 -1.99 117.51 117.47 1o0y h ILE 2 Ca 0.30 -1.18 0.06 0.00 1.00 0.00 0.00 64.86 65.03 1o0y h ILE 2 Cb -0.13 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 1o0y h ILE 2 CO -0.06 0.42 0.64 -0.08 0.00 0.00 0.00 178.15 179.07 1o0y h GLU 3 N 0.94 1.15 -0.14 2.37 4.57 -0.53 -0.47 114.58 122.47 1o0y h GLU 3 Ca 0.16 -0.07 -0.19 0.00 -1.18 0.00 0.00 59.36 58.08 1o0y h GLU 3 Cb 0.59 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1o0y h GLU 3 CO 0.04 0.76 -0.70 1.88 -1.18 0.00 0.00 179.01 179.81 1o0y h TYR 4 N 1.18 0.80 -0.70 0.92 -1.99 -1.06 0.16 116.97 116.28 1o0y h TYR 4 Ca 0.42 -0.34 -0.04 0.00 2.00 0.00 0.00 58.73 60.77 1o0y h TYR 4 Cb 0.12 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 38.69 1o0y h TYR 4 CO -0.01 1.12 0.29 0.00 -0.00 0.00 0.00 178.16 179.56 1o0y h ARG 5 N 0.43 1.02 -0.23 4.88 2.47 -0.96 0.30 114.38 122.29 1o0y h ARG 5 Ca -0.03 -0.17 -0.00 0.00 -1.26 0.00 0.00 59.98 58.52 1o0y h ARG 5 Cb 1.29 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 29.42 1o0y h ARG 5 CO 0.13 0.82 0.13 0.82 0.56 0.00 0.00 179.97 182.43 1o0y h ILE 6 N 1.00 1.11 -0.70 2.04 2.04 -0.87 -1.56 117.51 120.58 1o0y h ILE 6 Ca 0.24 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1o0y h ILE 6 Cb 0.18 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1o0y h ILE 6 CO -0.02 0.10 0.38 -0.33 0.00 0.00 0.00 178.15 178.28 1o0y h GLU 7 N 0.27 0.97 -0.61 2.37 5.08 -0.50 0.29 114.58 122.45 1o0y h GLU 7 Ca 0.08 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1o0y h GLU 7 Cb 0.05 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1o0y h GLU 7 CO -0.01 0.71 0.33 0.93 -1.00 0.00 0.00 179.01 179.97 1o0y h GLU 8 N 0.97 0.85 -0.17 2.33 5.08 0.09 -1.25 114.58 122.49 1o0y h GLU 8 Ca 0.25 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 1o0y h GLU 8 Cb 0.03 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1o0y h GLU 8 CO -0.04 0.65 -0.43 0.00 -1.00 0.00 0.00 179.01 178.19 1o0y h ALA 9 N 1.15 0.95 -0.13 3.43 0.00 -0.61 -1.24 119.26 122.81 1o0y h ALA 9 Ca 0.21 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 1o0y h ALA 9 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1o0y h ALA 9 CO -0.03 0.63 -0.64 0.28 0.00 0.00 0.00 179.25 179.49 1o0y h VAL 10 N 0.33 1.35 -0.45 0.00 2.07 -0.74 -0.45 116.25 118.35 1o0y h VAL 10 Ca 0.03 -1.95 -0.04 0.00 0.82 0.00 0.00 66.70 65.55 1o0y h VAL 10 Cb 0.90 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1o0y h VAL 10 CO 0.07 0.60 0.12 0.00 0.02 0.00 0.00 177.57 178.38 1o0y h ALA 11 N 0.96 0.59 -0.64 1.67 0.00 -1.00 0.15 119.26 121.00 1o0y h ALA 11 Ca -0.01 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1o0y h ALA 11 Cb 1.19 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1o0y h ALA 11 CO 0.11 0.26 0.15 0.87 0.00 0.00 0.00 179.25 180.65 1o0y h LYS 12 N 0.59 1.02 -0.32 0.00 1.57 -1.15 -0.32 116.57 117.96 1o0y h LYS 12 Ca 0.14 -0.25 0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1o0y h LYS 12 Cb 0.30 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1o0y h LYS 12 CO -0.00 0.92 0.08 -0.92 -0.57 0.00 0.00 179.45 178.96 1o0y h TYR 13 N 0.94 0.13 -0.32 -1.35 3.20 -0.78 0.50 116.97 119.29 1o0y h TYR 13 Ca 0.20 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.10 1o0y h TYR 13 Cb 0.36 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1o0y h TYR 13 CO 0.03 0.04 0.18 0.00 -1.64 0.00 0.00 178.16 176.77 1o0y h ARG 14 N 0.20 0.36 0.03 1.82 3.08 -0.67 -0.48 114.38 118.72 1o0y h ARG 14 Ca 0.15 -0.02 -0.22 0.00 0.07 0.00 0.00 59.98 59.95 1o0y h ARG 14 Cb 0.15 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1o0y h ARG 14 CO -0.18 0.24 -1.05 0.93 -1.07 0.00 0.00 179.97 178.84 1o0y h GLU 15 N 0.37 0.07 0.00 0.04 5.08 -0.50 -3.41 114.58 116.24 1o0y h GLU 15 Ca 0.13 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1o0y h GLU 15 Cb 0.01 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1o0y h GLU 15 CO -0.07 1.05 -0.07 1.19 -1.00 0.00 0.00 179.01 180.11 1o0y n PHE 16 N -3.41 0.00 -1.94 4.33 3.72 0.17 -5.06 117.46 115.27 1o0y n PHE 16 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.99 1o0y n PHE 16 Cb 0.95 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.50 1o0y n PHE 16 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1o0y s TYR 17 N -0.73 2.58 -0.12 1.38 5.04 -0.20 -5.01 117.35 120.30 1o0y s TYR 17 Ca 0.00 1.38 -0.09 0.00 -2.44 0.00 0.00 57.07 55.92 1o0y s TYR 17 Cb 0.00 -3.73 0.04 0.00 0.35 0.00 0.00 41.96 38.62 1o0y s TYR 17 CO 0.00 -2.45 0.29 -2.00 -1.34 0.00 0.00 175.55 170.05 1o0y s GLU 18 N -2.55 0.31 -0.44 4.97 2.12 -1.26 -5.00 118.70 116.85 1o0y s GLU 18 Ca 0.63 0.49 -0.26 0.00 0.36 0.00 0.00 54.97 56.19 1o0y s GLU 18 Cb -0.39 0.06 0.02 0.00 0.26 0.00 0.00 34.13 34.09 1o0y s GLU 18 CO 0.48 -0.09 0.94 0.12 -0.54 0.00 0.00 175.26 176.18 1o0y s PHE 19 N 0.62 2.96 0.16 5.30 5.36 -1.26 -5.00 117.98 126.11 1o0y s PHE 19 Ca -0.04 0.52 -0.22 0.00 -0.96 0.00 0.00 56.93 56.23 1o0y s PHE 19 Cb -0.05 -3.92 0.07 0.00 -0.34 0.00 0.00 43.02 38.78 1o0y s PHE 19 CO -0.04 -1.04 0.58 -1.59 -1.46 0.00 0.00 175.22 171.68 1o0y s LYS 20 N 3.73 1.27 0.44 10.12 -2.85 -1.26 -5.14 119.74 126.05 1o0y s LYS 20 Ca 0.38 -0.49 -0.26 0.00 -1.00 0.00 0.00 55.97 54.60 1o0y s LYS 20 Cb -0.10 0.58 -0.08 0.00 -2.06 0.00 0.00 37.83 36.16 1o0y s LYS 20 CO 0.25 -0.55 1.43 -2.14 0.10 0.00 0.00 175.35 174.43 1o0y s PRO 21 N -3.76 3.73 0.20 1.78 0.02 -1.26 -4.89 135.00 130.82 1o0y s PRO 21 Ca 0.01 2.42 0.13 0.00 0.02 0.00 0.00 61.00 63.58 1o0y s PRO 21 Cb -0.01 -2.69 -0.05 0.00 0.02 0.00 0.00 34.50 31.77 1o0y s PRO 21 CO -0.13 -0.78 1.31 0.28 -0.33 0.00 0.00 177.00 177.35 1o0y h VAL 22 N 2.37 1.10 -2.79 3.83 2.07 0.11 -3.48 116.25 119.46 1o0y h VAL 22 Ca -0.51 -2.60 0.06 0.00 0.82 0.00 0.00 66.70 64.48 1o0y h VAL 22 Cb 1.26 2.52 -0.09 0.00 -1.52 0.00 0.00 31.29 33.46 1o0y h VAL 22 CO 0.61 0.63 0.30 0.00 0.02 0.00 0.00 177.57 179.14 1o0y s ARG 23 N -2.87 1.38 0.25 1.57 1.70 -0.10 -5.01 118.95 115.88 1o0y s ARG 23 Ca 0.02 -0.67 -0.24 0.00 -0.47 0.00 0.00 55.73 54.38 1o0y s ARG 23 Cb 0.08 0.54 -0.09 0.00 -0.57 0.00 0.00 34.95 34.91 1o0y s ARG 23 CO 0.78 -0.62 0.83 -1.21 -1.08 0.00 0.00 175.30 174.00 1o0y s GLU 24 N -3.64 4.48 0.00 3.89 8.01 -1.26 -4.63 118.70 125.55 1o0y s GLU 24 Ca 0.07 1.14 0.00 0.00 0.01 0.00 0.00 54.97 56.19 1o0y s GLU 24 Cb -0.03 -2.96 0.00 0.00 -4.31 0.00 0.00 34.13 26.84 1o0y s GLU 24 CO -0.03 0.40 0.00 0.43 0.01 0.00 0.00 175.26 176.07 1o0y n SER 25 N 0.89 0.00 -4.43 -0.19 7.64 -1.26 -4.96 113.62 111.31 1o0y n SER 25 Ca -0.01 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.55 1o0y n SER 25 Cb 0.50 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.56 1o0y n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1o0y s ALA 26 N 0.00 2.53 0.79 -0.43 0.00 -1.26 -5.05 121.76 118.34 1o0y s ALA 26 Ca 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 51.96 50.78 1o0y s ALA 26 Cb 0.00 -0.76 0.14 0.00 0.00 0.00 0.00 23.12 22.50 1o0y s ALA 26 CO 0.00 0.56 1.09 0.20 0.00 0.00 0.00 175.76 177.61 1o0y s GLY 27 N -1.08 1.76 0.30 0.00 0.00 -1.26 -4.86 107.32 102.18 1o0y s GLY 27 Ca 0.13 -1.48 -0.02 0.00 0.00 0.00 0.00 44.72 43.35 1o0y s GLY 27 CO 0.03 -0.87 1.96 1.19 0.00 0.00 0.00 173.10 175.41 1o0y h ILE 28 N -0.87 1.20 -0.51 0.90 6.09 -1.95 -1.12 117.51 121.25 1o0y h ILE 28 Ca -0.40 -0.39 -0.09 0.00 -1.37 0.00 0.00 64.86 62.62 1o0y h ILE 28 Cb 1.26 -0.02 -0.02 0.00 0.47 0.00 0.00 36.82 38.51 1o0y h ILE 28 CO 0.42 0.21 -0.02 -0.33 -3.07 0.00 0.00 178.15 175.35 1o0y h GLU 29 N 1.12 0.91 -0.48 2.19 4.39 -1.99 0.28 114.58 121.01 1o0y h GLU 29 Ca 0.32 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1o0y h GLU 29 Cb -0.09 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1o0y h GLU 29 CO -0.08 0.95 0.27 -0.44 -1.16 0.00 0.00 179.01 178.55 1o0y h ASP 30 N 0.78 0.59 -0.75 1.42 3.32 -1.81 -0.06 116.42 119.91 1o0y h ASP 30 Ca 0.14 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1o0y h ASP 30 Cb 0.55 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1o0y h ASP 30 CO 0.03 0.50 0.29 0.58 -1.72 0.00 0.00 179.24 178.92 1o0y h VAL 31 N 0.63 1.25 -0.57 -1.35 2.07 -0.67 -1.59 116.25 116.02 1o0y h VAL 31 Ca 0.17 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.81 1o0y h VAL 31 Cb 0.04 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1o0y h VAL 31 CO -0.03 0.33 0.08 0.11 0.02 0.00 0.00 177.57 178.08 1o0y h LYS 32 N 1.08 0.92 0.00 1.57 1.57 -0.06 -2.01 116.57 119.65 1o0y h LYS 32 Ca 0.25 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1o0y h LYS 32 Cb 0.22 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1o0y h LYS 32 CO -0.02 0.86 -0.04 0.77 -0.57 0.00 0.00 179.45 180.45 1o0y h SER 33 N 0.87 0.00 1.14 0.86 0.02 -0.57 -2.68 113.55 113.19 1o0y h SER 33 Ca 0.18 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 1o0y h SER 33 Cb 0.40 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1o0y h SER 33 CO 0.01 0.04 -0.89 0.00 -1.14 0.00 0.00 176.83 174.85 1o0y h ALA 34 N 1.96 0.65 -2.46 3.77 0.00 -0.61 -3.38 119.26 119.19 1o0y h ALA 34 Ca -0.00 -0.31 -0.54 0.00 0.00 0.00 0.00 54.91 54.06 1o0y h ALA 34 Cb 0.55 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1o0y h ALA 34 CO 0.01 0.36 0.35 0.42 0.00 0.00 0.00 179.25 180.39 1o0y s ILE 35 N -3.15 4.80 -0.46 0.00 1.01 -0.88 -0.93 121.20 121.60 1o0y s ILE 35 Ca 0.01 2.03 -0.11 0.00 0.00 0.00 0.00 60.65 62.57 1o0y s ILE 35 Cb 0.08 -4.30 0.10 0.00 0.01 0.00 0.00 42.46 38.35 1o0y s ILE 35 CO 0.77 0.20 0.35 -1.61 0.00 0.00 0.00 174.94 174.65 1o0y s GLU 36 N 0.78 2.66 -0.20 2.79 2.02 0.64 -1.67 118.70 125.72 1o0y s GLU 36 Ca 0.50 -1.60 -0.29 0.00 0.02 0.00 0.00 54.97 53.60 1o0y s GLU 36 Cb -0.21 -3.96 -0.01 0.00 0.10 0.00 0.00 34.13 30.04 1o0y s GLU 36 CO 0.28 -1.11 1.32 -1.58 0.02 0.00 0.00 175.26 174.18 1o0y s HIS 37 N 1.45 2.71 -0.02 1.61 2.46 0.41 -2.87 115.29 121.04 1o0y s HIS 37 Ca 0.04 0.90 0.08 0.00 0.47 0.00 0.00 55.06 56.55 1o0y s HIS 37 Cb -0.25 -3.66 -0.02 0.00 -0.13 0.00 0.00 32.58 28.52 1o0y s HIS 37 CO 0.02 -1.90 -0.26 0.99 -2.47 0.00 0.00 174.74 171.12 1o0y s THR 38 N 3.86 2.05 -0.29 0.89 2.01 0.65 -0.73 115.64 124.08 1o0y s THR 38 Ca 0.57 -1.11 -0.03 0.00 0.31 0.00 0.00 61.69 61.43 1o0y s THR 38 Cb -0.21 -1.70 0.11 0.00 0.01 0.00 0.00 72.50 70.70 1o0y s THR 38 CO 0.18 0.58 0.16 0.21 -0.69 0.00 0.00 174.62 175.06 1o0y s ASN 39 N -0.61 3.20 -0.03 3.53 3.84 -0.33 -3.94 114.94 120.60 1o0y s ASN 39 Ca 0.10 -1.20 0.11 0.00 0.21 0.00 0.00 52.86 52.07 1o0y s ASN 39 Cb -0.10 -0.20 0.31 0.00 -0.55 0.00 0.00 41.25 40.71 1o0y s ASN 39 CO -0.01 -0.43 1.26 0.18 -2.79 0.00 0.00 177.10 175.31 1o0y n LEU 40 N 5.25 2.97 -4.76 3.21 4.77 -1.26 -4.04 117.00 123.13 1o0y n LEU 40 Ca -0.05 -2.15 -0.41 0.00 -0.03 0.00 0.00 56.01 53.37 1o0y n LEU 40 Cb 0.43 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1o0y n LEU 40 CO 0.03 0.70 1.08 -0.54 -1.33 0.00 0.00 177.39 177.34 1o0y s LYS 41 N -1.27 4.24 0.57 3.23 -0.14 -1.26 -4.90 119.74 120.21 1o0y s LYS 41 Ca 0.24 2.38 0.30 0.00 -1.36 0.00 0.00 55.97 57.52 1o0y s LYS 41 Cb 0.14 -3.05 1.71 0.00 -1.68 0.00 0.00 37.83 34.95 1o0y s LYS 41 CO 0.13 -0.39 2.19 -1.00 -0.76 0.00 0.00 175.35 175.52 1o0y h PRO 42 N 3.83 0.00 -0.50 -1.68 0.13 -2.06 -2.39 132.00 129.34 1o0y h PRO 42 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1o0y h PRO 42 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1o0y h PRO 42 CO 0.69 0.05 0.00 1.97 -0.23 0.00 0.00 178.00 180.48 1o0y n PHE 43 N -3.72 0.66 -1.86 1.56 1.16 -1.26 -4.95 117.46 109.05 1o0y n PHE 43 Ca -0.02 -0.33 -0.42 0.00 -1.87 0.00 0.00 57.45 54.81 1o0y n PHE 43 Cb 0.15 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.00 1o0y n PHE 43 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1o0y s ALA 44 N -1.34 3.72 0.33 1.98 0.00 -0.90 -5.02 121.76 120.53 1o0y s ALA 44 Ca 0.38 1.48 0.07 0.00 0.00 0.00 0.00 51.96 53.90 1o0y s ALA 44 Cb 0.21 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1o0y s ALA 44 CO 0.28 -0.89 0.31 0.95 0.00 0.00 0.00 175.76 176.41 1o0y s THR 45 N 0.16 3.66 0.29 0.00 -4.23 -1.26 -4.98 115.64 109.28 1o0y s THR 45 Ca 0.63 -1.33 0.04 0.00 -1.18 0.00 0.00 61.69 59.85 1o0y s THR 45 Cb -0.46 -3.23 0.30 0.00 1.34 0.00 0.00 72.50 70.46 1o0y s THR 45 CO 0.44 -0.18 1.67 -0.65 -0.54 0.00 0.00 174.62 175.36 1o0y h PRO 46 N 1.22 0.29 0.00 3.99 0.11 -1.99 0.25 132.00 135.87 1o0y h PRO 46 Ca -0.45 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1o0y h PRO 46 Cb 1.25 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1o0y h PRO 46 CO 0.58 0.19 -0.25 -0.44 -0.21 0.00 0.00 178.00 177.87 1o0y h ASP 47 N 0.30 0.00 -0.55 -2.05 3.32 -1.99 0.16 116.42 115.61 1o0y h ASP 47 Ca 0.57 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.56 1o0y h ASP 47 Cb 1.14 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 1o0y h ASP 47 CO -0.59 0.25 0.09 0.44 -1.72 0.00 0.00 179.24 177.71 1o0y h ASP 48 N 0.00 0.87 -0.37 6.45 3.32 -1.36 -1.77 116.42 123.56 1o0y h ASP 48 Ca -0.00 -0.26 -0.16 0.00 0.02 0.00 0.00 57.03 56.63 1o0y h ASP 48 Cb 0.45 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1o0y h ASP 48 CO 0.03 0.91 -0.37 0.40 -1.72 0.00 0.00 179.24 178.49 1o0y h ILE 49 N 0.80 1.27 -0.88 0.35 1.08 -0.53 0.13 117.51 119.73 1o0y h ILE 49 Ca 0.17 -1.54 -0.00 0.00 -0.39 0.00 0.00 64.86 63.09 1o0y h ILE 49 Cb 0.41 1.36 -0.04 0.00 -3.07 0.00 0.00 36.82 35.47 1o0y h ILE 49 CO 0.01 0.52 0.54 0.11 -0.69 0.00 0.00 178.15 178.63 1o0y h LYS 50 N 0.75 1.20 -0.36 2.37 1.57 -0.90 -0.87 116.57 120.33 1o0y h LYS 50 Ca 0.07 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1o0y h LYS 50 Cb 0.95 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1o0y h LYS 50 CO 0.09 0.83 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.55 1o0y h LYS 51 N 1.22 0.66 -0.47 3.15 1.63 -0.91 -1.04 116.57 120.80 1o0y h LYS 51 Ca 0.32 -0.22 0.08 0.00 -0.85 0.00 0.00 60.65 59.98 1o0y h LYS 51 Cb -0.06 -0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 31.45 1o0y h LYS 51 CO -0.06 0.79 0.06 1.25 -3.45 0.00 0.00 179.45 178.03 1o0y h LEU 52 N 0.47 -0.07 -0.54 5.20 5.85 -0.31 -0.44 115.31 125.46 1o0y h LEU 52 Ca 0.10 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 1o0y h LEU 52 Cb 0.51 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1o0y h LEU 52 CO 0.02 -0.01 0.05 0.00 -0.34 0.00 0.00 178.44 178.17 1o0y h LEU 54 N 0.81 0.56 -0.93 0.00 5.85 -0.71 -1.87 115.31 119.01 1o0y h LEU 54 Ca 0.16 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.90 1o0y h LEU 54 Cb 0.46 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.28 1o0y h LEU 54 CO 0.02 0.44 0.59 -0.33 -0.34 0.00 0.00 178.44 178.82 1o0y h GLU 55 N 0.62 1.02 -0.63 1.25 5.08 -0.79 0.17 114.58 121.30 1o0y h GLU 55 Ca 0.17 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1o0y h GLU 55 Cb -0.02 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 1o0y h GLU 55 CO -0.03 0.68 0.18 0.00 -1.00 0.00 0.00 179.01 178.83 1o0y h ALA 56 N 1.44 0.82 0.55 3.43 0.00 -0.63 -1.25 119.26 123.63 1o0y h ALA 56 Ca 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1o0y h ALA 56 Cb 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1o0y h ALA 56 CO -0.19 0.51 -0.36 0.00 0.00 0.00 0.00 179.25 179.21 1o0y h ARG 57 N 0.91 -0.84 -0.89 0.00 3.08 -0.75 0.81 114.38 116.70 1o0y h ARG 57 Ca 0.20 0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.42 1o0y h ARG 57 Cb 0.32 0.19 -0.07 0.00 0.08 0.00 0.00 29.97 30.49 1o0y h ARG 57 CO -0.00 -0.56 0.57 0.93 -1.07 0.00 0.00 179.97 179.84 1o0y h GLU 58 N -0.88 0.78 -0.03 0.04 5.08 -0.54 -2.67 114.58 116.36 1o0y h GLU 58 Ca -0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1o0y h GLU 58 Cb 0.72 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1o0y h GLU 58 CO 0.05 0.51 -0.06 0.09 -1.00 0.00 0.00 179.01 178.61 1o0y n ASN 59 N -4.55 2.75 -3.65 1.42 3.02 -0.48 -4.96 115.26 108.82 1o0y n ASN 59 Ca 0.16 -1.88 -0.25 0.00 -0.03 0.00 0.00 54.58 52.59 1o0y n ASN 59 Cb 0.38 0.06 0.07 0.00 -0.61 0.00 0.00 39.78 39.68 1o0y n ASN 59 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1o0y n ARG 60 N 1.10 -7.65 -1.39 3.52 1.74 0.17 -4.94 116.66 109.21 1o0y n ARG 60 Ca 0.13 0.80 -0.32 0.00 -0.77 0.00 0.00 57.85 57.69 1o0y n ARG 60 Cb 0.55 -5.83 0.08 0.00 -1.02 0.00 0.00 32.46 26.23 1o0y n ARG 60 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1o0y s PHE 61 N -3.32 2.58 0.18 -1.55 0.08 -0.53 -4.52 117.98 110.91 1o0y s PHE 61 Ca 0.60 1.56 -0.11 0.00 0.12 0.00 0.00 56.93 59.09 1o0y s PHE 61 Cb -0.27 -3.09 0.09 0.00 -0.57 0.00 0.00 43.02 39.18 1o0y s PHE 61 CO 0.74 -1.78 1.74 1.25 -0.10 0.00 0.00 175.22 177.07 1o0y h HIS 62 N -0.81 0.96 -3.02 0.36 -0.00 -1.16 -3.45 115.15 108.04 1o0y h HIS 62 Ca -0.44 -0.07 0.04 0.00 -0.00 0.00 0.00 60.37 59.89 1o0y h HIS 62 Cb 1.24 -0.29 -0.04 0.00 -0.00 0.00 0.00 27.41 28.32 1o0y h HIS 62 CO 0.57 0.76 0.23 0.20 -0.00 0.00 0.00 177.93 179.69 1o0y s GLY 63 N -3.18 0.06 0.22 5.26 0.00 -1.09 -2.24 107.32 106.35 1o0y s GLY 63 Ca -0.13 -0.45 0.08 0.00 0.00 0.00 0.00 44.72 44.22 1o0y s GLY 63 CO 0.80 -0.17 0.01 -1.34 0.00 0.00 0.00 173.10 172.41 1o0y s VAL 64 N -3.48 3.66 -0.13 1.40 -7.23 -0.31 -0.45 120.40 113.87 1o0y s VAL 64 Ca 0.13 -1.63 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 1o0y s VAL 64 Cb -0.06 -2.90 0.04 0.00 0.56 0.00 0.00 36.38 34.02 1o0y s VAL 64 CO 0.08 -0.24 0.01 0.00 -0.31 0.00 0.00 175.10 174.64 1o0y s VAL 66 N 1.90 1.33 0.65 0.00 -7.23 -0.92 -1.19 120.40 114.95 1o0y s VAL 66 Ca 0.02 -2.08 -0.14 0.00 -1.81 0.00 0.00 61.98 57.97 1o0y s VAL 66 Cb -0.15 -2.35 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 1o0y s VAL 66 CO -0.07 -0.35 1.08 0.20 -0.31 0.00 0.00 175.10 175.66 1o0y s ASN 67 N -3.36 5.31 0.49 4.85 0.01 -1.26 -3.84 114.94 117.15 1o0y s ASN 67 Ca 0.28 1.88 0.20 0.00 -0.71 0.00 0.00 52.86 54.52 1o0y s ASN 67 Cb 0.04 -2.54 1.24 0.00 0.41 0.00 0.00 41.25 40.41 1o0y s ASN 67 CO 0.10 -1.49 1.99 -0.65 -1.51 0.00 0.00 177.10 175.54 1o0y h PRO 68 N -0.01 0.16 0.00 -0.60 0.11 -1.96 -0.70 132.00 129.00 1o0y h PRO 68 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1o0y h PRO 68 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1o0y h PRO 68 CO 0.55 0.11 0.00 0.00 -0.21 0.00 0.00 178.00 178.45 1o0y n TYR 70 N -2.63 0.61 -0.11 0.00 4.01 -0.27 -4.61 117.16 114.17 1o0y n TYR 70 Ca -0.00 -0.51 -0.09 0.00 -0.16 0.00 0.00 57.90 57.13 1o0y n TYR 70 Cb 0.17 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.16 1o0y n TYR 70 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1o0y h VAL 71 N 2.57 1.15 -0.54 -0.72 2.07 -1.50 -0.31 116.25 118.97 1o0y h VAL 71 Ca 0.00 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1o0y h VAL 71 Cb 0.82 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1o0y h VAL 71 CO 0.01 0.15 0.24 0.50 0.02 0.00 0.00 177.57 178.50 1o0y h LYS 72 N 0.42 0.78 -0.11 1.57 3.11 -1.82 -0.01 116.57 120.51 1o0y h LYS 72 Ca 0.12 -0.12 0.03 0.00 -2.81 0.00 0.00 60.65 57.86 1o0y h LYS 72 Cb 0.09 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.15 1o0y h LYS 72 CO -0.02 0.66 -0.07 1.25 -2.81 0.00 0.00 179.45 178.46 1o0y h LEU 73 N 0.72 -0.23 -0.78 5.20 5.85 -1.82 -1.52 115.31 122.73 1o0y h LEU 73 Ca 0.18 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 1o0y h LEU 73 Cb 0.14 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1o0y h LEU 73 CO -0.02 -0.10 0.18 0.00 -0.34 0.00 0.00 178.44 178.17 1o0y h ALA 74 N 1.02 1.00 -0.13 1.25 0.00 -0.70 -0.93 119.26 120.78 1o0y h ALA 74 Ca 0.07 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1o0y h ALA 74 Cb 0.17 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1o0y h ALA 74 CO -0.16 0.65 -0.08 -0.09 0.00 0.00 0.00 179.25 179.57 1o0y h ARG 75 N 1.05 -0.08 -0.32 0.00 9.65 -0.84 0.79 114.38 124.64 1o0y h ARG 75 Ca 0.22 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.14 1o0y h ARG 75 Cb 0.35 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.91 1o0y h ARG 75 CO -0.00 -0.06 0.12 1.49 2.80 0.00 0.00 179.97 184.32 1o0y h GLU 76 N -0.09 0.25 0.00 0.20 4.22 -1.05 0.37 114.58 118.49 1o0y h GLU 76 Ca 0.08 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.49 1o0y h GLU 76 Cb 0.20 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1o0y h GLU 76 CO -0.18 0.17 -0.07 0.93 -2.18 0.00 0.00 179.01 177.67 1o0y h GLU 77 N 0.26 0.00 -0.41 1.92 4.39 -0.86 -2.78 114.58 117.10 1o0y h GLU 77 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1o0y h GLU 77 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1o0y h GLU 77 CO -0.14 0.07 0.00 1.28 -1.16 0.00 0.00 179.01 179.06 1o0y n LEU 78 N -4.44 3.17 -4.67 1.33 4.77 0.24 -4.96 117.00 112.45 1o0y n LEU 78 Ca -0.03 -1.75 -0.46 0.00 -0.03 0.00 0.00 56.01 53.75 1o0y n LEU 78 Cb 0.15 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1o0y n LEU 78 CO 0.35 0.75 1.14 -0.62 -1.33 0.00 0.00 177.39 177.67 1o0y n GLU 79 N 1.04 2.11 -0.55 3.23 1.02 0.05 -1.27 120.64 126.26 1o0y n GLU 79 Ca 0.16 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 58.06 1o0y n GLU 79 Cb 0.50 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.43 1o0y n GLU 79 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1o0y n GLY 80 N 3.01 0.76 3.72 0.62 0.00 -1.26 -5.06 105.19 106.98 1o0y n GLY 80 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1o0y n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o0y s THR 81 N -2.85 3.19 -2.35 2.61 -4.23 -0.39 -5.02 115.64 106.59 1o0y s THR 81 Ca 0.00 -1.71 0.27 0.00 -1.18 0.00 0.00 61.69 59.07 1o0y s THR 81 Cb 0.00 -2.98 0.60 0.00 1.34 0.00 0.00 72.50 71.46 1o0y s THR 81 CO 0.00 -0.23 1.81 0.47 -0.54 0.00 0.00 174.62 176.13 1o0y n ASP 82 N -1.11 1.17 -4.66 3.99 9.92 -1.26 -4.90 116.55 119.71 1o0y n ASP 82 Ca -0.04 -1.43 -0.42 0.00 -0.53 0.00 0.00 54.79 52.37 1o0y n ASP 82 Cb 0.61 -0.02 -0.03 0.00 -0.64 0.00 0.00 41.12 41.04 1o0y n ASP 82 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1o0y s VAL 83 N -1.97 3.21 0.49 2.53 1.01 -1.26 -4.94 120.40 119.47 1o0y s VAL 83 Ca 0.39 0.26 -0.21 0.00 0.00 0.00 0.00 61.98 62.42 1o0y s VAL 83 Cb 0.20 -3.17 -0.08 0.00 0.00 0.00 0.00 36.38 33.33 1o0y s VAL 83 CO 0.33 -0.03 1.06 -0.54 0.00 0.00 0.00 175.10 175.91 1o0y s LYS 84 N 4.45 3.76 -0.31 2.72 -0.14 -0.95 -4.89 119.74 124.39 1o0y s LYS 84 Ca 0.84 1.44 -0.07 0.00 -1.36 0.00 0.00 55.97 56.82 1o0y s LYS 84 Cb -0.39 -2.14 0.01 0.00 -1.68 0.00 0.00 37.83 33.64 1o0y s LYS 84 CO 0.37 -0.48 0.09 0.08 -0.76 0.00 0.00 175.35 174.65 1o0y s VAL 85 N -1.89 3.97 -0.10 3.17 1.01 -1.26 -1.16 120.40 124.14 1o0y s VAL 85 Ca 0.67 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1o0y s VAL 85 Cb -0.19 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1o0y s VAL 85 CO 0.22 0.02 0.04 -0.69 0.00 0.00 0.00 175.10 174.70 1o0y s VAL 86 N 1.49 4.63 0.25 2.92 1.01 0.29 0.33 120.40 131.32 1o0y s VAL 86 Ca 0.02 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1o0y s VAL 86 Cb -0.18 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 1o0y s VAL 86 CO 0.03 0.61 0.09 1.07 0.00 0.00 0.00 175.10 176.90 1o0y n THR 87 N 2.14 0.00 -4.64 3.92 5.66 -0.79 -2.16 114.28 118.41 1o0y n THR 87 Ca -0.19 -1.45 -0.29 0.00 -3.05 0.00 0.00 64.05 59.08 1o0y n THR 87 Cb 0.54 0.53 -0.14 0.00 -1.55 0.00 0.00 70.33 69.71 1o0y n THR 87 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1o0y s VAL 88 N -2.50 2.08 -0.06 1.08 -7.23 -1.25 -1.23 120.40 111.30 1o0y s VAL 88 Ca 0.13 -1.51 0.04 0.00 -1.81 0.00 0.00 61.98 58.84 1o0y s VAL 88 Cb 0.01 -1.82 -0.00 0.00 0.56 0.00 0.00 36.38 35.13 1o0y s VAL 88 CO 0.09 0.21 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.22 1o0y s VAL 89 N -0.92 1.57 -1.57 1.32 1.01 -0.50 -4.59 120.40 116.72 1o0y s VAL 89 Ca 0.11 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 1o0y s VAL 89 Cb -0.10 -1.36 0.10 0.00 0.00 0.00 0.00 36.38 35.03 1o0y s VAL 89 CO 0.04 0.45 0.90 0.61 0.00 0.00 0.00 175.10 177.09 1o0y n GLY 90 N 3.29 -0.46 3.77 4.51 0.00 -1.26 -1.84 105.19 113.20 1o0y n GLY 90 Ca -0.19 0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1o0y n GLY 90 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1o0y s PHE 91 N -3.33 3.24 -2.39 1.61 2.19 -1.26 -0.99 117.98 117.04 1o0y s PHE 91 Ca 0.64 0.15 0.23 0.00 0.33 0.00 0.00 56.93 58.28 1o0y s PHE 91 Cb -0.33 -1.69 0.76 0.00 -1.31 0.00 0.00 43.02 40.45 1o0y s PHE 91 CO 0.86 0.53 1.56 -0.35 1.83 0.00 0.00 175.22 179.66 1o0y n PRO 92 N 0.90 1.83 0.06 10.12 -0.04 -1.26 -4.89 135.00 141.71 1o0y n PRO 92 Ca -0.11 -1.24 0.07 0.00 -0.04 0.00 0.00 63.50 62.18 1o0y n PRO 92 Cb 0.52 -1.43 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 1o0y n PRO 92 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1o0y n LEU 93 N 0.47 0.71 -0.52 1.53 4.77 -1.24 -4.94 117.00 117.77 1o0y n LEU 93 Ca 0.17 0.29 -0.07 0.00 -0.03 0.00 0.00 56.01 56.37 1o0y n LEU 93 Cb 0.38 0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1o0y n LEU 93 CO 0.14 -0.03 -0.06 0.61 -1.33 0.00 0.00 177.39 176.71 1o0y n GLY 94 N 1.28 0.87 1.14 -0.72 0.00 -0.16 -4.61 105.19 102.99 1o0y n GLY 94 Ca -0.05 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.65 1o0y n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o0y n ALA 95 N 1.13 3.04 -1.68 4.61 0.00 -1.26 -3.72 120.51 122.62 1o0y n ALA 95 Ca -0.07 -1.94 -0.30 0.00 0.00 0.00 0.00 53.44 51.13 1o0y n ALA 95 Cb 0.30 -0.79 0.06 0.00 0.00 0.00 0.00 19.45 19.01 1o0y n ALA 95 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1o0y s ASN 96 N -1.41 5.25 0.63 0.00 -0.87 -1.26 -5.01 114.94 112.26 1o0y s ASN 96 Ca 0.43 1.38 -0.18 0.00 -1.57 0.00 0.00 52.86 52.92 1o0y s ASN 96 Cb 0.32 -2.22 -0.02 0.00 -0.02 0.00 0.00 41.25 39.31 1o0y s ASN 96 CO 0.14 -1.50 1.25 -1.61 -2.57 0.00 0.00 177.10 172.81 1o0y s GLU 97 N -5.17 2.71 0.20 -0.60 2.02 -1.26 -4.88 118.70 111.72 1o0y s GLU 97 Ca 0.58 1.95 -0.11 0.00 0.02 0.00 0.00 54.97 57.42 1o0y s GLU 97 Cb -0.13 -1.88 0.21 0.00 0.10 0.00 0.00 34.13 32.43 1o0y s GLU 97 CO 0.54 -1.44 1.79 1.15 0.02 0.00 0.00 175.26 177.31 1o0y h THR 98 N 0.65 0.92 0.00 3.63 2.02 -1.95 -1.54 112.91 116.65 1o0y h THR 98 Ca -0.51 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 1o0y h THR 98 Cb 1.32 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1o0y h THR 98 CO 0.54 0.10 -0.12 0.08 0.37 0.00 0.00 175.52 176.49 1o0y h ARG 99 N 0.55 0.00 -0.26 6.66 0.11 -1.96 0.23 114.38 119.72 1o0y h ARG 99 Ca 0.27 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.31 1o0y h ARG 99 Cb 0.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.28 1o0y h ARG 99 CO -0.20 0.12 -0.01 1.15 0.10 0.00 0.00 179.97 181.13 1o0y h THR 100 N 0.00 1.26 -0.66 0.08 2.02 -1.65 -1.18 112.91 112.79 1o0y h THR 100 Ca -0.00 -0.94 0.06 0.00 0.77 0.00 0.00 66.41 66.30 1o0y h THR 100 Cb 0.29 1.37 -0.06 0.00 -1.74 0.00 0.00 68.15 68.01 1o0y h THR 100 CO 0.02 0.30 0.35 0.11 0.37 0.00 0.00 175.52 176.66 1o0y h LYS 101 N 0.23 0.63 -0.47 6.66 1.57 -0.65 0.15 116.57 124.69 1o0y h LYS 101 Ca 0.07 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1o0y h LYS 101 Cb 0.44 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1o0y h LYS 101 CO 0.02 0.41 -0.06 0.00 -0.57 0.00 0.00 179.45 179.24 1o0y h ALA 102 N 1.35 0.64 -0.51 3.86 0.00 -0.93 -0.73 119.26 122.95 1o0y h ALA 102 Ca 0.30 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1o0y h ALA 102 Cb 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1o0y h ALA 102 CO -0.20 0.50 0.09 0.45 0.00 0.00 0.00 179.25 180.09 1o0y h HIS 103 N 0.72 0.90 -0.92 0.00 3.86 -0.88 -1.95 115.15 116.88 1o0y h HIS 103 Ca 0.12 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1o0y h HIS 103 Cb 0.60 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.78 1o0y h HIS 103 CO 0.04 0.81 0.52 1.49 0.86 0.00 0.00 177.93 181.65 1o0y h GLU 104 N 0.73 1.27 -0.33 2.45 4.81 -0.40 -0.15 114.58 122.96 1o0y h GLU 104 Ca 0.16 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1o0y h GLU 104 Cb 0.39 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1o0y h GLU 104 CO 0.01 0.92 0.20 0.00 -0.73 0.00 0.00 179.01 179.40 1o0y h ALA 105 N 1.29 0.42 -0.10 2.92 0.00 -0.96 0.10 119.26 122.92 1o0y h ALA 105 Ca 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1o0y h ALA 105 Cb 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1o0y h ALA 105 CO -0.05 -0.07 0.04 0.82 0.00 0.00 0.00 179.25 179.98 1o0y h ILE 106 N 0.42 1.16 -0.98 0.00 2.04 -0.79 -1.40 117.51 117.97 1o0y h ILE 106 Ca 0.12 -0.49 0.11 0.00 1.00 0.00 0.00 64.86 65.60 1o0y h ILE 106 Cb 0.02 1.30 -0.08 0.00 -0.74 0.00 0.00 36.82 37.32 1o0y h ILE 106 CO -0.02 0.14 0.62 -0.26 0.00 0.00 0.00 178.15 178.64 1o0y h PHE 107 N -0.01 1.10 -0.31 1.37 0.04 -0.99 0.83 116.94 118.98 1o0y h PHE 107 Ca 0.03 0.03 -0.15 0.00 2.80 0.00 0.00 57.97 60.68 1o0y h PHE 107 Cb 0.20 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 1o0y h PHE 107 CO -0.01 0.47 -0.41 0.00 -0.60 0.00 0.00 178.31 177.76 1o0y h ALA 108 N 1.53 0.69 -0.14 2.45 0.00 -0.44 -0.15 119.26 123.20 1o0y h ALA 108 Ca 0.47 -0.46 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1o0y h ALA 108 Cb 0.45 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1o0y h ALA 108 CO -0.23 0.67 -0.70 0.28 0.00 0.00 0.00 179.25 179.27 1o0y h VAL 109 N 0.62 1.33 -0.74 0.00 2.07 -0.78 -0.21 116.25 118.52 1o0y h VAL 109 Ca 0.05 -1.98 0.06 0.00 0.82 0.00 0.00 66.70 65.65 1o0y h VAL 109 Cb 0.97 1.96 -0.05 0.00 -1.52 0.00 0.00 31.29 32.65 1o0y h VAL 109 CO 0.09 0.61 0.49 -0.33 0.02 0.00 0.00 177.57 178.45 1o0y h GLU 110 N 0.42 0.76 0.00 1.57 5.08 -0.56 -2.44 114.58 119.42 1o0y h GLU 110 Ca -0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1o0y h GLU 110 Cb 1.29 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1o0y h GLU 110 CO 0.13 0.51 -0.10 0.43 -1.00 0.00 0.00 179.01 178.97 1o0y n SER 111 N -4.48 0.42 0.00 1.42 7.64 -0.09 -4.88 113.62 113.64 1o0y n SER 111 Ca 0.11 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1o0y n SER 111 Cb 0.22 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1o0y n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1o0y n GLY 112 N 1.41 0.43 3.76 0.23 0.00 -0.91 -3.96 105.19 106.16 1o0y n GLY 112 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1o0y n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o0y s ALA 113 N -1.23 3.42 -0.10 4.61 0.00 -0.15 -4.78 121.76 123.54 1o0y s ALA 113 Ca 0.00 0.96 -0.07 0.00 0.00 0.00 0.00 51.96 52.85 1o0y s ALA 113 Cb 0.00 -3.36 -0.27 0.00 0.00 0.00 0.00 23.12 19.49 1o0y s ALA 113 CO 0.00 -0.25 0.46 -0.44 0.00 0.00 0.00 175.76 175.54 1o0y h ASP 114 N 3.87 0.44 -4.67 0.00 3.32 -0.46 -3.42 116.42 115.50 1o0y h ASP 114 Ca -0.47 -0.89 -0.23 0.00 0.02 0.00 0.00 57.03 55.46 1o0y h ASP 114 Cb 1.21 -0.14 -0.16 0.00 0.22 0.00 0.00 39.33 40.46 1o0y h ASP 114 CO 0.67 1.79 -0.70 -1.61 -1.72 0.00 0.00 179.24 177.67 1o0y s GLU 115 N -2.57 0.76 -0.15 3.56 2.02 -1.05 -4.01 118.70 117.27 1o0y s GLU 115 Ca -0.20 -1.21 0.01 0.00 0.02 0.00 0.00 54.97 53.59 1o0y s GLU 115 Cb 0.06 -0.20 0.02 0.00 0.10 0.00 0.00 34.13 34.11 1o0y s GLU 115 CO 0.79 -0.01 -0.18 0.42 0.02 0.00 0.00 175.26 176.31 1o0y s ILE 116 N -3.18 1.81 -0.46 -1.63 -1.09 -0.43 -1.89 121.20 114.33 1o0y s ILE 116 Ca 0.07 -0.80 -0.11 0.00 -2.23 0.00 0.00 60.65 57.58 1o0y s ILE 116 Cb 0.02 -1.64 0.10 0.00 -1.58 0.00 0.00 42.46 39.36 1o0y s ILE 116 CO -0.04 0.50 0.34 -1.81 -1.23 0.00 0.00 174.94 172.70 1o0y s ASP 117 N 1.17 5.80 0.28 3.58 1.11 -0.36 -0.38 116.67 127.87 1o0y s ASP 117 Ca -0.00 -1.69 0.02 0.00 0.18 0.00 0.00 52.55 51.05 1o0y s ASP 117 Cb -0.14 -2.05 -0.03 0.00 1.07 0.00 0.00 42.92 41.77 1o0y s ASP 117 CO -0.07 -0.66 0.46 0.00 1.18 0.00 0.00 175.17 176.07 1o0y s MET 118 N 1.45 3.48 -0.13 8.23 0.23 0.88 -1.40 119.30 132.03 1o0y s MET 118 Ca 0.04 -0.47 -0.03 0.00 -1.03 0.00 0.00 55.69 54.20 1o0y s MET 118 Cb -0.25 -2.77 -0.03 0.00 -1.53 0.00 0.00 34.83 30.24 1o0y s MET 118 CO 0.02 0.29 -0.02 0.08 -2.03 0.00 0.00 175.02 173.36 1o0y s VAL 119 N -2.12 4.11 0.84 5.16 1.01 -0.77 1.00 120.40 129.63 1o0y s VAL 119 Ca 0.38 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 1o0y s VAL 119 Cb -0.10 -2.77 0.10 0.00 0.00 0.00 0.00 36.38 33.61 1o0y s VAL 119 CO 0.32 0.53 1.15 -0.51 0.00 0.00 0.00 175.10 176.59 1o0y s ILE 120 N -0.12 2.38 -0.79 2.22 2.07 -0.12 -4.60 121.20 122.25 1o0y s ILE 120 Ca 0.03 0.14 -0.24 0.00 -1.41 0.00 0.00 60.65 59.17 1o0y s ILE 120 Cb -0.13 -2.37 0.06 0.00 0.13 0.00 0.00 42.46 40.15 1o0y s ILE 120 CO 0.02 -0.15 1.19 0.21 -1.91 0.00 0.00 174.94 174.30 1o0y s ASN 121 N -2.69 6.29 0.12 4.50 3.84 -1.24 -4.39 114.94 121.36 1o0y s ASN 121 Ca 0.67 -1.01 -0.20 0.00 0.21 0.00 0.00 52.86 52.53 1o0y s ASN 121 Cb -0.23 -2.50 -0.08 0.00 -0.55 0.00 0.00 41.25 37.90 1o0y s ASN 121 CO 0.55 -1.55 1.77 0.58 -2.79 0.00 0.00 177.10 175.65 1o0y h VAL 122 N 6.13 1.03 -0.73 -5.21 2.07 -1.81 -2.36 116.25 115.37 1o0y h VAL 122 Ca -0.14 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1o0y h VAL 122 Cb 1.05 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 1o0y h VAL 122 CO 1.25 0.04 0.45 1.23 0.02 0.00 0.00 177.57 180.56 1o0y h GLY 123 N 0.21 1.07 2.00 2.17 0.00 -1.92 -0.71 103.07 105.89 1o0y h GLY 123 Ca 0.06 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 1o0y h GLY 123 CO -0.02 0.26 -0.50 -0.33 0.00 0.00 0.00 176.54 175.95 1o0y h MET 124 N 0.86 0.00 -0.21 4.80 2.86 -1.90 -2.13 114.93 119.21 1o0y h MET 124 Ca 0.31 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.88 1o0y h MET 124 Cb 0.08 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1o0y h MET 124 CO -0.13 0.50 -0.13 1.25 1.06 0.00 0.00 176.91 179.46 1o0y h LEU 125 N 0.00 0.48 -2.25 1.22 5.85 -0.84 -1.63 115.31 118.13 1o0y h LEU 125 Ca -0.01 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.30 1o0y h LEU 125 Cb 1.05 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 1o0y h LEU 125 CO 0.07 0.80 0.05 0.11 -0.34 0.00 0.00 178.44 179.12 1o0y h LYS 126 N 0.15 0.00 -0.30 1.25 1.57 -1.03 0.28 116.57 118.49 1o0y h LYS 126 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1o0y h LYS 126 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1o0y h LYS 126 CO 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.92 1o0y n ALA 127 N -2.41 2.47 -2.50 3.86 0.00 -0.81 -4.92 120.51 116.20 1o0y n ALA 127 Ca -0.02 -0.60 -0.18 0.00 0.00 0.00 0.00 53.44 52.64 1o0y n ALA 127 Cb 0.14 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1o0y n ALA 127 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1o0y n LYS 128 N 0.49 -2.20 -2.29 0.00 5.02 0.09 -4.91 118.16 114.37 1o0y n LYS 128 Ca 0.14 0.84 -0.41 0.00 -2.02 0.00 0.00 58.31 56.85 1o0y n LYS 128 Cb 0.32 -5.34 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 1o0y n LYS 128 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1o0y n GLU 129 N -2.94 4.22 -0.34 1.97 -0.58 -0.65 -4.82 120.64 117.50 1o0y n GLU 129 Ca -0.18 -3.69 0.04 0.00 -0.42 0.00 0.00 57.16 52.92 1o0y n GLU 129 Cb 0.64 -2.74 0.22 0.00 -0.57 0.00 0.00 31.44 29.00 1o0y n GLU 129 CO 0.00 0.00 0.00 -1.49 -0.48 0.00 0.00 177.13 175.16 1o0y h TRP 130 N 5.16 1.12 -0.27 -0.32 -0.00 -1.91 -1.57 115.95 118.17 1o0y h TRP 130 Ca 0.50 0.03 -0.16 0.00 -0.00 0.00 0.00 58.89 59.27 1o0y h TRP 130 Cb 0.48 -0.37 -0.01 0.00 -0.00 0.00 0.00 29.16 29.27 1o0y h TRP 130 CO 1.37 0.55 -0.47 1.49 -0.00 0.00 0.00 178.44 181.38 1o0y h GLU 131 N 1.07 0.70 0.59 0.49 4.57 -1.91 0.32 114.58 120.42 1o0y h GLU 131 Ca 0.43 -0.40 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1o0y h GLU 131 Cb 0.27 0.03 0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1o0y h GLU 131 CO -0.18 1.02 -0.28 -0.92 -1.18 0.00 0.00 179.01 177.46 1o0y h TYR 132 N 0.56 -0.73 -0.72 0.92 5.03 -1.74 -1.48 116.97 118.81 1o0y h TYR 132 Ca 0.03 -0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.40 1o0y h TYR 132 Cb 1.02 0.24 -0.06 0.00 1.55 0.00 0.00 36.73 39.48 1o0y h TYR 132 CO 0.05 -0.45 0.39 0.28 -1.32 0.00 0.00 178.16 177.11 1o0y h VAL 133 N -0.81 0.92 -0.25 1.81 2.07 -1.04 0.39 116.25 119.33 1o0y h VAL 133 Ca -0.08 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.24 1o0y h VAL 133 Cb 0.62 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1o0y h VAL 133 CO 0.13 0.13 0.03 0.22 0.02 0.00 0.00 177.57 178.10 1o0y h TYR 134 N 0.69 0.04 -0.20 1.57 5.03 -0.33 -2.45 116.97 121.32 1o0y h TYR 134 Ca 0.34 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.56 1o0y h TYR 134 Cb 0.28 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.57 1o0y h TYR 134 CO -0.08 -0.01 -0.35 0.93 -1.32 0.00 0.00 178.16 177.33 1o0y h GLU 135 N 0.12 0.42 -0.71 1.82 5.08 -0.12 0.89 114.58 122.08 1o0y h GLU 135 Ca 0.12 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1o0y h GLU 135 Cb 0.14 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1o0y h GLU 135 CO -0.18 0.72 0.36 0.22 -1.00 0.00 0.00 179.01 179.13 1o0y h ASP 136 N 0.36 0.91 0.02 1.42 3.58 -0.74 -1.12 116.42 120.85 1o0y h ASP 136 Ca 0.04 -0.12 -0.13 0.00 0.42 0.00 0.00 57.03 57.24 1o0y h ASP 136 Cb 0.78 -0.23 0.01 0.00 1.72 0.00 0.00 39.33 41.61 1o0y h ASP 136 CO 0.06 0.77 -0.54 0.40 -2.88 0.00 0.00 179.24 177.05 1o0y h ILE 137 N 0.98 1.47 -0.69 2.25 2.04 -1.11 -3.28 117.51 119.17 1o0y h ILE 137 Ca 0.25 -2.11 0.11 0.00 1.00 0.00 0.00 64.86 64.10 1o0y h ILE 137 Cb 0.08 2.73 -0.08 0.00 -0.74 0.00 0.00 36.82 38.81 1o0y h ILE 137 CO -0.03 0.60 0.29 -0.09 0.00 0.00 0.00 178.15 178.92 1o0y h ARG 138 N -0.25 0.46 -0.91 2.37 9.65 -0.72 -1.13 114.38 123.86 1o0y h ARG 138 Ca -0.07 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.79 1o0y h ARG 138 Cb 1.28 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 29.71 1o0y h ARG 138 CO 0.10 0.31 0.60 1.03 2.80 0.00 0.00 179.97 184.81 1o0y h SER 139 N 0.48 1.03 -0.06 -3.80 0.87 -1.30 0.11 113.55 110.89 1o0y h SER 139 Ca 0.35 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.86 1o0y h SER 139 Cb 0.45 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1o0y h SER 139 CO -0.33 0.74 -0.08 0.58 -0.53 0.00 0.00 176.83 177.21 1o0y h VAL 140 N 1.21 1.40 -0.61 2.23 2.07 -1.36 -1.58 116.25 119.62 1o0y h VAL 140 Ca 0.34 -1.32 0.12 0.00 0.82 0.00 0.00 66.70 66.66 1o0y h VAL 140 Cb -0.11 2.15 -0.09 0.00 -1.52 0.00 0.00 31.29 31.72 1o0y h VAL 140 CO -0.08 0.36 0.12 0.58 0.02 0.00 0.00 177.57 178.57 1o0y h VAL 141 N -0.32 0.62 -0.81 2.57 2.07 -1.01 -1.87 116.25 117.51 1o0y h VAL 141 Ca 0.01 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1o0y h VAL 141 Cb 0.62 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1o0y h VAL 141 CO 0.02 0.05 0.42 -0.33 0.02 0.00 0.00 177.57 177.74 1o0y h GLU 142 N 0.25 1.14 0.00 1.57 5.08 -0.79 -1.94 114.58 119.89 1o0y h GLU 142 Ca 0.32 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1o0y h GLU 142 Cb 0.49 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1o0y h GLU 142 CO -0.42 0.86 -0.28 0.77 -1.00 0.00 0.00 179.01 178.94 1o0y h SER 143 N 1.13 0.00 -0.77 1.42 0.02 -0.47 -3.09 113.55 111.79 1o0y h SER 143 Ca 0.28 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.81 1o0y h SER 143 Cb 0.07 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.19 1o0y h SER 143 CO -0.04 0.28 -0.96 1.33 -1.14 0.00 0.00 176.83 176.30 1o0y n VAL 144 N -3.44 1.88 -1.74 2.27 0.24 -0.98 -4.76 118.33 111.79 1o0y n VAL 144 Ca 0.00 -3.72 -0.42 0.00 -2.04 0.00 0.00 64.34 58.17 1o0y n VAL 144 Cb 0.46 -0.07 -0.02 0.00 -1.47 0.00 0.00 33.84 32.74 1o0y n VAL 144 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1o0y n LYS 145 N -0.56 2.67 0.00 7.34 2.85 -0.74 -0.31 118.16 129.41 1o0y n LYS 145 Ca 0.26 0.95 0.00 0.00 -1.05 0.00 0.00 58.31 58.47 1o0y n LYS 145 Cb 0.85 -2.73 0.00 0.00 -0.65 0.00 0.00 35.03 32.50 1o0y n LYS 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1o0y n GLY 146 N 2.24 3.45 3.77 2.58 0.00 -1.26 -5.06 105.19 110.92 1o0y n GLY 146 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1o0y n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o0y s LYS 147 N -0.91 3.07 0.11 1.61 -0.14 0.58 -5.07 119.74 118.99 1o0y s LYS 147 Ca 0.00 -0.46 -0.31 0.00 -1.36 0.00 0.00 55.97 53.84 1o0y s LYS 147 Cb 0.00 -2.87 -0.08 0.00 -1.68 0.00 0.00 37.83 33.20 1o0y s LYS 147 CO 0.00 0.66 1.48 0.08 -0.76 0.00 0.00 175.35 176.81 1o0y s VAL 148 N -1.15 3.13 -0.16 3.17 1.01 -1.26 -4.93 120.40 120.22 1o0y s VAL 148 Ca 0.21 0.76 -0.01 0.00 0.00 0.00 0.00 61.98 62.94 1o0y s VAL 148 Cb -0.12 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1o0y s VAL 148 CO 0.12 0.04 -0.11 -0.69 0.00 0.00 0.00 175.10 174.46 1o0y s VAL 149 N 1.50 3.05 -0.14 2.92 1.01 -1.26 -1.31 120.40 126.17 1o0y s VAL 149 Ca 0.67 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 1o0y s VAL 149 Cb -0.38 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1o0y s VAL 149 CO 0.30 0.49 -0.03 -0.54 0.00 0.00 0.00 175.10 175.33 1o0y s LYS 150 N 0.80 3.49 -0.33 2.72 1.02 0.49 -0.60 119.74 127.32 1o0y s LYS 150 Ca -0.04 -0.50 -0.12 0.00 0.02 0.00 0.00 55.97 55.33 1o0y s LYS 150 Cb -0.15 -2.87 -0.01 0.00 -0.52 0.00 0.00 37.83 34.27 1o0y s LYS 150 CO 0.01 0.36 0.21 0.08 -0.92 0.00 0.00 175.35 175.09 1o0y s VAL 151 N 0.05 5.02 -0.19 3.17 1.01 0.18 -0.08 120.40 129.55 1o0y s VAL 151 Ca 0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 1o0y s VAL 151 Cb -0.13 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1o0y s VAL 151 CO 0.03 0.00 1.08 -0.63 0.00 0.00 0.00 175.10 175.58 1o0y s ILE 152 N 1.68 4.61 -0.54 2.22 1.01 0.28 -0.80 121.20 129.65 1o0y s ILE 152 Ca 0.05 1.93 0.22 0.00 0.00 0.00 0.00 60.65 62.86 1o0y s ILE 152 Cb -0.17 -4.25 -0.21 0.00 0.01 0.00 0.00 42.46 37.84 1o0y s ILE 152 CO 0.09 -0.14 0.83 2.30 0.00 0.00 0.00 174.94 178.02 1o0y n ILE 153 N 5.19 0.08 -3.22 2.92 -5.35 -0.77 -0.94 119.36 117.26 1o0y n ILE 153 Ca 0.12 -0.26 -0.09 0.00 -0.27 0.00 0.00 62.75 62.26 1o0y n ILE 153 Cb 0.46 0.36 0.02 0.00 -1.74 0.00 0.00 39.64 38.75 1o0y n ILE 153 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1o0y n GLU 154 N -1.93 -1.57 -0.14 6.28 4.07 -0.40 -4.88 120.64 122.07 1o0y n GLU 154 Ca 0.01 1.19 0.27 0.00 -0.06 0.00 0.00 57.16 58.57 1o0y n GLU 154 Cb 0.45 -5.36 0.72 0.00 -0.06 0.00 0.00 31.44 27.19 1o0y n GLU 154 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 1o0y h THR 155 N -0.19 0.53 -0.01 6.31 1.35 -1.64 -1.87 112.91 117.38 1o0y h THR 155 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1o0y h THR 155 Cb 1.14 0.56 -0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1o0y h THR 155 CO 0.36 0.00 0.03 0.00 -0.25 0.00 0.00 175.52 175.65 1o0y n TYR 157 N -3.40 0.46 -4.46 0.00 4.01 -0.70 -4.88 117.16 108.19 1o0y n TYR 157 Ca -0.03 -0.28 -0.30 0.00 -0.16 0.00 0.00 57.90 57.13 1o0y n TYR 157 Cb 0.10 -0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.01 1o0y n TYR 157 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1o0y s LEU 158 N -1.30 2.80 0.00 7.72 1.43 -0.31 -5.07 118.68 123.95 1o0y s LEU 158 Ca 0.34 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1o0y s LEU 158 Cb 0.19 -1.63 0.13 0.00 0.03 0.00 0.00 46.19 44.91 1o0y s LEU 158 CO 0.27 0.23 0.86 -0.90 0.23 0.00 0.00 176.35 177.03 1o0y n ASP 159 N 1.20 0.81 -0.09 2.29 3.85 -1.26 -4.87 116.55 118.48 1o0y n ASP 159 Ca -0.15 -1.76 -0.11 0.00 -0.71 0.00 0.00 54.79 52.05 1o0y n ASP 159 Cb 0.52 -0.59 -0.04 0.00 -1.35 0.00 0.00 41.12 39.67 1o0y n ASP 159 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.20 176.93 1o0y h THR 160 N -0.84 1.25 -0.82 2.12 2.02 -2.00 -0.96 112.91 113.69 1o0y h THR 160 Ca -0.28 -0.87 0.03 0.00 0.77 0.00 0.00 66.41 66.05 1o0y h THR 160 Cb 0.96 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.63 1o0y h THR 160 CO 0.27 0.28 0.54 -0.33 0.37 0.00 0.00 175.52 176.65 1o0y h GLU 161 N 0.25 1.01 -0.06 6.66 5.08 -1.99 -1.85 114.58 123.67 1o0y h GLU 161 Ca 0.08 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.17 1o0y h GLU 161 Cb 0.39 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1o0y h GLU 161 CO 0.01 0.67 -0.82 0.93 -1.00 0.00 0.00 179.01 178.80 1o0y h GLU 162 N 1.04 0.48 -0.81 2.33 5.08 -1.86 -0.25 114.58 120.58 1o0y h GLU 162 Ca 0.32 -0.43 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1o0y h GLU 162 Cb -0.01 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1o0y h GLU 162 CO -0.09 1.07 0.53 0.87 -1.00 0.00 0.00 179.01 180.40 1o0y h LYS 163 N 0.31 1.07 -0.39 2.33 1.57 -0.72 -1.06 116.57 119.67 1o0y h LYS 163 Ca -0.05 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 1o0y h LYS 163 Cb 1.42 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1o0y h LYS 163 CO 0.15 0.71 -0.05 0.82 -0.57 0.00 0.00 179.45 180.51 1o0y h ILE 164 N 1.10 1.27 -0.43 1.86 2.04 -1.24 -2.22 117.51 119.88 1o0y h ILE 164 Ca 0.30 -1.11 0.04 0.00 1.00 0.00 0.00 64.86 65.09 1o0y h ILE 164 Cb -0.12 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1o0y h ILE 164 CO -0.06 0.37 0.21 0.00 0.00 0.00 0.00 178.15 178.67 1o0y h ALA 165 N 0.85 0.54 -0.66 1.87 0.00 -0.84 -0.36 119.26 120.66 1o0y h ALA 165 Ca 0.10 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1o0y h ALA 165 Cb 0.55 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1o0y h ALA 165 CO 0.03 -0.15 0.41 0.00 0.00 0.00 0.00 179.25 179.54 1o0y h ALA 166 N 1.24 0.84 -0.37 0.00 0.00 -1.08 0.13 119.26 120.02 1o0y h ALA 166 Ca 0.19 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1o0y h ALA 166 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1o0y h ALA 166 CO -0.14 0.30 0.06 0.00 0.00 0.00 0.00 179.25 179.48 1o0y h VAL 168 N 0.45 1.08 -0.19 0.00 2.07 -0.68 -1.84 116.25 117.14 1o0y h VAL 168 Ca 0.11 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 1o0y h VAL 168 Cb 0.36 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1o0y h VAL 168 CO 0.01 0.07 -0.38 0.40 0.02 0.00 0.00 177.57 177.69 1o0y h ILE 169 N 0.10 1.30 -0.47 4.57 2.04 -0.70 -1.38 117.51 122.97 1o0y h ILE 169 Ca 0.04 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.38 1o0y h ILE 169 Cb 0.05 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1o0y h ILE 169 CO -0.01 0.46 0.20 0.28 0.00 0.00 0.00 178.15 179.08 1o0y h SER 170 N 0.36 0.63 -0.44 1.72 0.02 -0.95 -1.26 113.55 113.63 1o0y h SER 170 Ca 0.04 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1o0y h SER 170 Cb 0.82 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 1o0y h SER 170 CO 0.07 0.62 0.20 0.50 -1.14 0.00 0.00 176.83 177.08 1o0y h LYS 171 N 0.61 0.65 -0.64 3.45 3.64 -1.19 -2.31 116.57 120.79 1o0y h LYS 171 Ca 0.16 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1o0y h LYS 171 Cb 0.18 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1o0y h LYS 171 CO -0.01 0.57 0.38 -0.07 -2.27 0.00 0.00 179.45 178.04 1o0y h LEU 172 N 0.57 0.76 -0.23 5.20 3.38 -0.99 -2.41 115.31 121.60 1o0y h LEU 172 Ca 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1o0y h LEU 172 Cb 0.14 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1o0y h LEU 172 CO -0.02 0.59 0.00 0.00 0.09 0.00 0.00 178.44 179.10 1o0y n ALA 173 N -2.44 2.63 -0.38 1.53 0.00 -0.50 -4.90 120.51 116.45 1o0y n ALA 173 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1o0y n ALA 173 Cb 0.07 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1o0y n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o0y n GLY 174 N 0.95 0.77 3.75 0.00 0.00 -0.91 -4.57 105.19 105.18 1o0y n GLY 174 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1o0y n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o0y s ALA 175 N -2.23 2.39 -0.13 4.61 0.00 -0.89 -4.93 121.76 120.59 1o0y s ALA 175 Ca 0.00 0.85 0.18 0.00 0.00 0.00 0.00 51.96 52.99 1o0y s ALA 175 Cb 0.00 -3.42 -0.20 0.00 0.00 0.00 0.00 23.12 19.50 1o0y s ALA 175 CO 0.00 -1.41 0.58 0.72 0.00 0.00 0.00 175.76 175.65 1o0y n HIS 176 N -2.15 0.54 -4.14 0.00 -0.00 0.23 -4.71 115.22 104.99 1o0y n HIS 176 Ca 0.13 0.18 -0.12 0.00 -0.00 0.00 0.00 57.72 57.91 1o0y n HIS 176 Cb 0.50 -0.94 -0.11 0.00 -0.00 0.00 0.00 29.99 29.45 1o0y n HIS 176 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1o0y s PHE 177 N -2.96 0.87 0.15 4.41 0.40 -0.72 -1.91 117.98 118.22 1o0y s PHE 177 Ca -0.06 -0.76 0.08 0.00 -0.60 0.00 0.00 56.93 55.59 1o0y s PHE 177 Cb 0.09 -0.50 -0.04 0.00 0.51 0.00 0.00 43.02 43.08 1o0y s PHE 177 CO 0.84 -0.10 -0.08 0.14 0.70 0.00 0.00 175.22 176.71 1o0y s VAL 178 N -2.83 3.35 0.00 -0.44 -7.23 -0.75 -0.65 120.40 111.85 1o0y s VAL 178 Ca 0.05 -1.45 0.02 0.00 -1.81 0.00 0.00 61.98 58.79 1o0y s VAL 178 Cb -0.00 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.31 1o0y s VAL 178 CO -0.02 -0.01 -0.07 -0.75 -0.31 0.00 0.00 175.10 173.94 1o0y s LYS 179 N -2.57 0.50 0.03 4.82 2.20 0.02 -0.87 119.74 123.88 1o0y s LYS 179 Ca 0.24 -0.32 -0.24 0.00 -0.36 0.00 0.00 55.97 55.29 1o0y s LYS 179 Cb -0.10 -0.45 -0.17 0.00 -1.51 0.00 0.00 37.83 35.60 1o0y s LYS 179 CO 0.15 0.12 1.46 1.79 -0.36 0.00 0.00 175.35 178.51 1o0y h THR 180 N 4.90 1.24 -3.52 3.43 1.35 -1.68 -2.05 112.91 116.58 1o0y h THR 180 Ca -0.30 -0.74 -0.06 0.00 -0.55 0.00 0.00 66.41 64.76 1o0y h THR 180 Cb 1.19 1.67 -0.13 0.00 -1.73 0.00 0.00 68.15 69.15 1o0y h THR 180 CO 0.48 0.20 -0.15 -0.44 -0.25 0.00 0.00 175.52 175.36 1o0y s SER 181 N -5.56 -0.13 0.02 5.36 0.01 -1.26 -1.28 113.70 110.86 1o0y s SER 181 Ca -0.15 -0.47 0.18 0.00 1.31 0.00 0.00 55.95 56.83 1o0y s SER 181 Cb 0.04 0.45 -0.17 0.00 0.21 0.00 0.00 66.02 66.55 1o0y s SER 181 CO 0.68 -0.85 0.67 0.35 0.41 0.00 0.00 173.24 174.50 1o0y n THR 182 N -0.20 0.97 -0.48 1.44 -2.24 -1.26 -4.65 114.28 107.85 1o0y n THR 182 Ca -0.14 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1o0y n THR 182 Cb 0.63 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1o0y n THR 182 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1o0y n GLY 183 N 1.40 0.74 0.00 3.38 0.00 -1.26 -4.89 105.19 104.57 1o0y n GLY 183 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1o0y n GLY 183 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1o0y n PHE 184 N -2.04 0.00 -1.27 1.61 3.01 -1.26 -4.98 117.46 112.53 1o0y n PHE 184 Ca 0.00 -0.37 0.00 0.00 1.01 0.00 0.00 57.45 58.09 1o0y n PHE 184 Cb 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 1o0y n PHE 184 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1o0y n GLY 185 N -0.37 2.50 1.16 1.37 0.00 -1.26 -5.01 105.19 103.59 1o0y n GLY 185 Ca 0.00 -1.90 0.12 0.00 0.00 0.00 0.00 46.02 44.24 1o0y n GLY 185 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1o0y n THR 186 N 0.00 0.64 -3.60 2.61 -2.24 -1.26 -5.00 114.28 105.43 1o0y n THR 186 Ca 0.00 -0.79 -0.05 0.00 -2.27 0.00 0.00 64.05 60.95 1o0y n THR 186 Cb 0.00 0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 68.96 1o0y n THR 186 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1o0y s GLY 187 N -1.31 -0.36 0.00 3.38 0.00 -1.26 -5.04 107.32 102.72 1o0y s GLY 187 Ca 0.41 0.92 0.00 0.00 0.00 0.00 0.00 44.72 46.05 1o0y s GLY 187 CO 0.31 0.28 0.00 0.61 0.00 0.00 0.00 173.10 174.30 1o0y n GLY 188 N -0.30 6.18 3.77 0.20 0.00 -1.26 -4.60 105.19 109.18 1o0y n GLY 188 Ca -0.06 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 1o0y n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o0y s ALA 189 N -2.00 3.52 0.13 4.61 0.00 -0.32 -4.85 121.76 122.86 1o0y s ALA 189 Ca 0.00 1.36 0.05 0.00 0.00 0.00 0.00 51.96 53.37 1o0y s ALA 189 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1o0y s ALA 189 CO 0.00 -0.77 -0.12 0.95 0.00 0.00 0.00 175.76 175.82 1o0y s THR 190 N -1.14 1.26 0.32 0.00 -4.23 -1.26 -4.97 115.64 105.63 1o0y s THR 190 Ca 0.50 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1o0y s THR 190 Cb -0.42 -1.65 0.22 0.00 1.34 0.00 0.00 72.50 71.99 1o0y s THR 190 CO 0.56 -0.56 1.93 0.00 -0.54 0.00 0.00 174.62 176.01 1o0y h ALA 191 N 3.20 1.40 -0.76 3.99 0.00 -1.96 -1.66 119.26 123.48 1o0y h ALA 191 Ca -0.38 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.42 1o0y h ALA 191 Cb 1.20 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1o0y h ALA 191 CO 0.56 0.48 0.50 0.93 0.00 0.00 0.00 179.25 181.71 1o0y h GLU 192 N 0.84 1.00 -0.05 0.00 3.07 -1.96 0.28 114.58 117.76 1o0y h GLU 192 Ca 0.21 -0.07 -0.14 0.00 -0.50 0.00 0.00 59.36 58.87 1o0y h GLU 192 Cb 0.07 -0.22 0.01 0.00 -0.84 0.00 0.00 28.75 27.76 1o0y h GLU 192 CO -0.03 0.67 -0.50 -0.44 -1.40 0.00 0.00 179.01 177.31 1o0y h ASP 193 N 1.03 0.53 -0.36 1.42 3.32 -1.93 0.24 116.42 120.67 1o0y h ASP 193 Ca 0.28 -0.69 0.03 0.00 0.02 0.00 0.00 57.03 56.66 1o0y h ASP 193 Cb -0.11 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 1o0y h ASP 193 CO -0.06 1.15 0.16 0.58 -1.72 0.00 0.00 179.24 179.35 1o0y h VAL 194 N -0.04 0.96 -0.47 -1.35 2.07 -1.12 0.16 116.25 116.46 1o0y h VAL 194 Ca -0.05 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 1o0y h VAL 194 Cb 1.18 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1o0y h VAL 194 CO 0.10 0.06 0.04 -0.74 0.02 0.00 0.00 177.57 177.05 1o0y h HIS 195 N 0.34 0.87 -0.17 1.57 -0.00 -0.88 0.37 115.15 117.25 1o0y h HIS 195 Ca 0.16 -0.14 0.01 0.00 -0.00 0.00 0.00 60.37 60.40 1o0y h HIS 195 Cb 0.09 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.25 1o0y h HIS 195 CO -0.11 0.82 0.09 1.25 -0.00 0.00 0.00 177.93 179.98 1o0y h LEU 196 N 0.67 0.14 -0.19 0.26 5.85 -0.57 0.30 115.31 121.77 1o0y h LEU 196 Ca 0.14 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1o0y h LEU 196 Cb 0.45 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1o0y h LEU 196 CO 0.02 0.11 -0.14 0.24 -0.34 0.00 0.00 178.44 178.32 1o0y h MET 197 N 0.19 -0.14 -0.76 1.25 2.86 -0.43 -0.18 114.93 117.72 1o0y h MET 197 Ca 0.07 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1o0y h MET 197 Cb 0.01 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1o0y h MET 197 CO -0.04 -0.09 0.29 -0.22 1.06 0.00 0.00 176.91 177.91 1o0y h LYS 198 N -0.14 1.13 -0.85 1.72 1.63 -0.66 -0.89 116.57 118.51 1o0y h LYS 198 Ca 0.11 -0.21 0.01 0.00 -0.85 0.00 0.00 60.65 59.72 1o0y h LYS 198 Cb 0.31 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 1o0y h LYS 198 CO -0.28 0.93 0.56 2.35 -3.45 0.00 0.00 179.45 179.56 1o0y h TRP 199 N 1.11 1.07 -0.05 1.91 7.01 -0.42 0.31 115.95 126.89 1o0y h TRP 199 Ca 0.25 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.24 1o0y h TRP 199 Cb 0.22 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 26.92 1o0y h TRP 199 CO 0.02 0.67 -0.12 0.82 -2.79 0.00 0.00 178.44 177.04 1o0y h ILE 200 N 1.15 1.44 0.00 2.65 1.08 -0.56 -3.34 117.51 119.93 1o0y h ILE 200 Ca 0.31 -1.48 0.00 0.00 -0.39 0.00 0.00 64.86 63.30 1o0y h ILE 200 Cb -0.13 2.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.92 1o0y h ILE 200 CO -0.07 0.41 -0.36 -0.37 -0.69 0.00 0.00 178.15 177.06 1o0y h VAL 201 N -0.36 0.00 0.00 1.67 -1.51 -1.12 -3.49 116.25 111.44 1o0y h VAL 201 Ca -0.00 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 1o0y h VAL 201 Cb 0.72 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 1o0y h VAL 201 CO 0.03 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.98 1o0y n GLY 202 N 1.26 -2.61 0.23 5.19 0.00 0.09 -4.20 105.19 105.16 1o0y n GLY 202 Ca 0.04 -1.64 0.11 0.00 0.00 0.00 0.00 46.02 44.53 1o0y n GLY 202 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1o0y h ASP 203 N 0.00 0.00 1.09 1.61 5.19 -1.95 -3.06 116.42 119.30 1o0y h ASP 203 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1o0y h ASP 203 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1o0y h ASP 203 CO 0.00 0.20 0.00 -0.62 -3.12 0.00 0.00 179.24 175.70 1o0y n GLU 204 N -3.44 0.14 -4.65 3.56 4.71 -1.26 -4.75 120.64 114.94 1o0y n GLU 204 Ca -0.00 0.19 -0.24 0.00 -0.01 0.00 0.00 57.16 57.10 1o0y n GLU 204 Cb 0.38 -1.69 -0.15 0.00 -1.01 0.00 0.00 31.44 28.98 1o0y n GLU 204 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1o0y s MET 205 N -3.09 1.27 0.34 3.49 -1.94 -1.16 -5.05 119.30 113.15 1o0y s MET 205 Ca 0.10 -0.72 -0.08 0.00 -1.71 0.00 0.00 55.69 53.28 1o0y s MET 205 Cb 0.13 -1.28 -0.06 0.00 2.01 0.00 0.00 34.83 35.64 1o0y s MET 205 CO 0.50 0.34 0.66 0.20 -0.01 0.00 0.00 175.02 176.71 1o0y s GLY 206 N -0.77 1.94 -0.16 -0.03 0.00 -0.80 -4.72 107.32 102.78 1o0y s GLY 206 Ca 0.06 -0.36 0.01 0.00 0.00 0.00 0.00 44.72 44.43 1o0y s GLY 206 CO 0.00 -0.21 -0.18 0.14 0.00 0.00 0.00 173.10 172.85 1o0y s VAL 207 N -2.20 1.88 -0.25 1.40 1.01 -1.26 -1.81 120.40 119.17 1o0y s VAL 207 Ca 0.48 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 1o0y s VAL 207 Cb -0.11 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1o0y s VAL 207 CO 0.30 0.51 0.10 -0.75 0.00 0.00 0.00 175.10 175.26 1o0y s LYS 208 N 1.24 3.75 -0.10 2.72 2.20 -0.04 -0.45 119.74 129.05 1o0y s LYS 208 Ca 0.02 -0.43 -0.15 0.00 -0.36 0.00 0.00 55.97 55.05 1o0y s LYS 208 Cb -0.13 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.74 1o0y s LYS 208 CO -0.10 -0.15 0.37 0.00 -0.36 0.00 0.00 175.35 175.11 1o0y s ALA 209 N 1.56 3.60 0.22 3.13 0.00 0.41 -1.89 121.76 128.78 1o0y s ALA 209 Ca 0.06 -0.32 -0.21 0.00 0.00 0.00 0.00 51.96 51.50 1o0y s ALA 209 Cb -0.15 -2.45 0.04 0.00 0.00 0.00 0.00 23.12 20.56 1o0y s ALA 209 CO 0.05 0.19 0.62 -1.54 0.00 0.00 0.00 175.76 175.09 1o0y s SER 210 N 0.03 -0.36 0.00 0.00 1.04 -1.26 0.27 113.70 113.42 1o0y s SER 210 Ca 0.21 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1o0y s SER 210 Cb -0.15 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1o0y s SER 210 CO 0.08 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.77 1o0y n GLY 211 N -0.40 -1.41 2.20 7.32 0.00 -1.26 -1.38 105.19 110.26 1o0y n GLY 211 Ca -0.10 -0.74 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 1o0y n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o0y n GLY 212 N 1.16 0.51 3.50 -0.02 0.00 -1.26 -1.17 105.19 107.91 1o0y n GLY 212 Ca 0.00 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1o0y n GLY 212 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o0y s ILE 213 N -1.91 4.29 -0.08 -0.61 1.01 -1.26 -4.80 121.20 117.84 1o0y s ILE 213 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 60.65 60.80 1o0y s ILE 213 Cb 0.00 -4.64 -0.13 0.00 0.01 0.00 0.00 42.46 37.70 1o0y s ILE 213 CO 0.00 -1.33 0.08 0.54 0.00 0.00 0.00 174.94 174.23 1o0y n ARG 214 N 7.77 1.91 -4.40 2.79 5.12 -1.26 -4.50 116.66 124.08 1o0y n ARG 214 Ca -0.00 -0.03 -0.20 0.00 -1.93 0.00 0.00 57.85 55.69 1o0y n ARG 214 Cb 0.47 -1.26 -0.10 0.00 -1.16 0.00 0.00 32.46 30.41 1o0y n ARG 214 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1o0y s THR 215 N -2.36 1.55 0.25 0.55 -4.23 -1.26 -4.35 115.64 105.79 1o0y s THR 215 Ca -0.05 -2.12 -0.03 0.00 -1.18 0.00 0.00 61.69 58.31 1o0y s THR 215 Cb 0.04 -2.38 0.22 0.00 1.34 0.00 0.00 72.50 71.71 1o0y s THR 215 CO 0.42 -0.34 1.79 0.15 -0.54 0.00 0.00 174.62 176.10 1o0y h PHE 216 N 2.34 0.80 -0.62 3.99 3.57 -1.83 -1.36 116.94 123.84 1o0y h PHE 216 Ca -0.39 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.20 1o0y h PHE 216 Cb 1.23 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.68 1o0y h PHE 216 CO 0.67 0.28 0.33 0.93 -2.23 0.00 0.00 178.31 178.29 1o0y h GLU 217 N 0.72 0.59 -0.42 1.11 3.07 -1.96 -1.36 114.58 116.33 1o0y h GLU 217 Ca 0.41 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.21 1o0y h GLU 217 Cb 0.46 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 1o0y h GLU 217 CO -0.29 0.39 0.14 -0.44 -1.40 0.00 0.00 179.01 177.41 1o0y h ASP 218 N 0.61 0.60 0.02 1.42 3.32 -1.68 -1.08 116.42 119.63 1o0y h ASP 218 Ca 0.28 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.15 1o0y h ASP 218 Cb 0.20 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1o0y h ASP 218 CO -0.19 0.64 -0.08 0.00 -1.72 0.00 0.00 179.24 177.88 1o0y h ALA 219 N 0.99 -0.10 -0.34 3.45 0.00 -0.96 -1.53 119.26 120.76 1o0y h ALA 219 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1o0y h ALA 219 Cb 0.24 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1o0y h ALA 219 CO -0.01 -0.58 0.08 0.28 0.00 0.00 0.00 179.25 179.02 1o0y h VAL 220 N -0.15 0.84 -0.83 0.00 2.07 -1.18 -0.86 116.25 116.14 1o0y h VAL 220 Ca 0.03 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1o0y h VAL 220 Cb 0.18 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1o0y h VAL 220 CO -0.07 0.04 0.53 0.50 0.02 0.00 0.00 177.57 178.59 1o0y h LYS 221 N 0.20 1.10 -0.47 1.57 3.64 -0.89 0.55 116.57 122.26 1o0y h LYS 221 Ca 0.16 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.33 1o0y h LYS 221 Cb 0.18 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1o0y h LYS 221 CO -0.21 0.74 -0.23 0.52 -2.27 0.00 0.00 179.45 178.00 1o0y h MET 222 N 1.12 0.98 -0.83 1.90 2.86 -0.87 -2.76 114.93 117.34 1o0y h MET 222 Ca 0.30 -0.43 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 1o0y h MET 222 Cb -0.11 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.49 1o0y h MET 222 CO -0.06 1.10 0.40 0.82 1.06 0.00 0.00 176.91 180.23 1o0y h ILE 223 N 0.83 1.26 0.00 -1.22 2.04 -0.67 -1.96 117.51 117.79 1o0y h ILE 223 Ca 0.10 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1o0y h ILE 223 Cb 0.81 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1o0y h ILE 223 CO 0.07 0.31 -0.03 0.24 0.00 0.00 0.00 178.15 178.74 1o0y h MET 224 N 1.18 0.00 -0.62 2.37 2.86 -0.63 -2.36 114.93 117.72 1o0y h MET 224 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1o0y h MET 224 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1o0y h MET 224 CO -0.04 0.03 0.00 0.66 1.06 0.00 0.00 176.91 178.62 1o0y n TYR 225 N -4.12 0.83 0.00 -0.22 4.01 -0.83 0.15 117.16 116.98 1o0y n TYR 225 Ca -0.03 -0.44 0.00 0.00 -0.16 0.00 0.00 57.90 57.27 1o0y n TYR 225 Cb 0.11 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 1o0y n TYR 225 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1o0y n GLY 226 N 1.50 0.46 3.71 2.72 0.00 -0.89 -3.20 105.19 109.49 1o0y n GLY 226 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1o0y n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o0y s ALA 227 N -1.30 3.40 -0.16 4.61 0.00 -0.80 -4.53 121.76 122.97 1o0y s ALA 227 Ca 0.00 0.82 0.22 0.00 0.00 0.00 0.00 51.96 53.00 1o0y s ALA 227 Cb 0.00 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 1o0y s ALA 227 CO 0.00 -0.47 0.84 -0.25 0.00 0.00 0.00 175.76 175.87 1o0y n ASP 228 N 4.09 0.56 -3.87 0.00 9.92 0.40 -4.51 116.55 123.15 1o0y n ASP 228 Ca 0.09 0.22 -0.10 0.00 -0.53 0.00 0.00 54.79 54.47 1o0y n ASP 228 Cb 0.46 0.95 -0.09 0.00 -0.64 0.00 0.00 41.12 41.81 1o0y n ASP 228 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1o0y s ARG 229 N -3.39 0.68 -0.11 -1.24 1.81 -1.01 -4.73 118.95 110.97 1o0y s ARG 229 Ca -0.03 -0.70 0.01 0.00 -1.72 0.00 0.00 55.73 53.29 1o0y s ARG 229 Cb 0.11 0.28 0.02 0.00 -0.45 0.00 0.00 34.95 34.90 1o0y s ARG 229 CO 0.83 -0.19 -0.14 0.42 -0.68 0.00 0.00 175.30 175.54 1o0y s ILE 230 N -2.72 1.39 -0.29 1.52 -1.09 -0.10 -0.45 121.20 119.46 1o0y s ILE 230 Ca -0.04 -0.57 -0.12 0.00 -2.23 0.00 0.00 60.65 57.69 1o0y s ILE 230 Cb -0.00 -1.29 -0.04 0.00 -1.58 0.00 0.00 42.46 39.55 1o0y s ILE 230 CO -0.05 0.42 0.23 -0.83 -1.23 0.00 0.00 174.94 173.48 1o0y s GLY 231 N 1.08 1.93 -0.03 6.18 0.00 0.14 -0.26 107.32 116.36 1o0y s GLY 231 Ca -0.05 -1.08 -0.29 0.00 0.00 0.00 0.00 44.72 43.29 1o0y s GLY 231 CO -0.02 0.73 0.73 -1.08 0.00 0.00 0.00 173.10 173.45 1o0y s THR 232 N 1.81 0.00 -2.83 0.90 -1.32 -1.14 -3.99 115.64 109.07 1o0y s THR 232 Ca 0.08 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.81 1o0y s THR 232 Cb -0.16 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.06 1o0y s THR 232 CO 0.11 0.00 1.32 -1.54 -2.21 0.00 0.00 174.62 172.30 1o0y n SER 233 N 0.61 2.68 -1.71 8.08 3.41 -1.25 -0.26 113.62 125.18 1o0y n SER 233 Ca -0.17 -1.87 0.08 0.00 -0.26 0.00 0.00 58.87 56.65 1o0y n SER 233 Cb 0.59 0.04 0.37 0.00 -0.26 0.00 0.00 64.21 64.95 1o0y n SER 233 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1o0y n SER 234 N 1.04 5.11 -0.34 4.04 7.64 -1.26 -4.69 113.62 125.17 1o0y n SER 234 Ca 0.14 -2.68 0.15 0.00 1.01 0.00 0.00 58.87 57.49 1o0y n SER 234 Cb 0.55 -0.63 0.36 0.00 -1.01 0.00 0.00 64.21 63.48 1o0y n SER 234 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1o0y h GLY 235 N 4.17 1.62 0.92 0.23 0.00 -1.91 0.45 103.07 108.56 1o0y h GLY 235 Ca 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 1o0y h GLY 235 CO 0.36 -0.06 -0.07 -2.08 0.00 0.00 0.00 176.54 174.69 1o0y h VAL 236 N 0.68 1.28 0.00 4.60 2.07 -1.97 -1.93 116.25 120.98 1o0y h VAL 236 Ca 0.57 -1.11 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 1o0y h VAL 236 Cb 0.99 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1o0y h VAL 236 CO -0.35 0.36 -0.53 0.11 0.02 0.00 0.00 177.57 177.19 1o0y h LYS 237 N 0.44 0.00 -0.27 1.57 1.57 -1.71 -2.17 116.57 115.99 1o0y h LYS 237 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1o0y h LYS 237 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1o0y h LYS 237 CO 0.03 0.53 0.17 0.82 -0.57 0.00 0.00 179.45 180.43 1o0y h ILE 238 N 0.00 1.08 -0.76 1.86 2.04 -0.74 -0.50 117.51 120.50 1o0y h ILE 238 Ca -0.01 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1o0y h ILE 238 Cb 1.33 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 1o0y h ILE 238 CO 0.07 0.08 0.39 0.58 0.00 0.00 0.00 178.15 179.26 1o0y h VAL 239 N 0.35 1.24 -0.57 1.67 2.07 -1.23 -2.30 116.25 117.48 1o0y h VAL 239 Ca 0.10 -0.63 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 1o0y h VAL 239 Cb -0.01 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1o0y h VAL 239 CO -0.02 0.27 -0.07 1.56 0.02 0.00 0.00 177.57 179.33 1o0y h GLN 240 N 1.06 1.06 -0.74 1.57 4.20 -1.09 0.13 115.11 121.29 1o0y h GLN 240 Ca 0.26 -0.37 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 1o0y h GLN 240 Cb 0.08 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1o0y h GLN 240 CO -0.04 1.07 0.24 0.78 -0.67 0.00 0.00 178.83 180.22 1o0y h GLY 241 N 0.94 1.23 0.91 3.46 0.00 -0.99 0.32 103.07 108.95 1o0y h GLY 241 Ca 0.15 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 1o0y h GLY 241 CO 0.04 0.68 0.10 -1.33 0.00 0.00 0.00 176.54 176.03 1o0y h GLY 242 N 1.10 0.44 2.00 4.60 0.00 -1.17 0.59 103.07 110.63 1o0y h GLY 242 Ca 0.24 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1o0y h GLY 242 CO -0.01 0.23 -0.33 0.83 0.00 0.00 0.00 176.54 177.26 1o0y h GLU 243 N 0.29 0.00 0.21 4.80 5.08 -0.74 -0.15 114.58 124.06 1o0y h GLU 243 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1o0y h GLU 243 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1o0y h GLU 243 CO -0.01 0.33 -0.10 0.93 -1.00 0.00 0.00 179.01 179.17 1o0y h GLU 244 N 0.00 -0.27 0.00 2.33 5.08 0.20 -3.28 114.58 118.65 1o0y h GLU 244 Ca -0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1o0y h GLU 244 Cb 0.61 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1o0y h GLU 244 CO 0.04 -0.18 -1.18 0.54 -1.00 0.00 0.00 179.01 177.23 1o0y n ARG 245 N -3.64 0.61 -0.41 2.33 1.74 0.20 -4.45 116.66 113.05 1o0y n ARG 245 Ca -0.03 0.06 0.04 0.00 -0.77 0.00 0.00 57.85 57.15 1o0y n ARG 245 Cb 0.11 -1.77 0.06 0.00 -1.02 0.00 0.00 32.46 29.84 1o0y n ARG 245 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1o0y n TYR 246 N -2.59 0.00 1.69 -1.55 4.01 -0.16 -5.05 117.16 113.51 1o0y n TYR 246 Ca -0.01 -0.48 0.14 0.00 -0.16 0.00 0.00 57.90 57.39 1o0y n TYR 246 Cb 0.55 -0.10 0.80 0.00 -0.31 0.00 0.00 39.34 40.28 1o0y n TYR 246 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81