#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1y n ALA 2 N 0.00 1.24 0.28 3.04 0.00 -1.26 -4.79 120.51 119.02 3a1y n ALA 2 Ca 0.00 -0.52 0.16 0.00 0.00 0.00 0.00 53.44 53.08 3a1y n ALA 2 Cb 0.00 -0.10 0.81 0.00 0.00 0.00 0.00 19.45 20.16 3a1y n ALA 2 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3a1y h HIS 3 N 0.00 0.00 0.00 0.00 2.76 -2.12 -3.46 115.15 112.33 3a1y h HIS 3 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3a1y h HIS 3 Cb 1.08 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.04 3a1y h HIS 3 CO 0.01 0.07 0.00 1.55 -1.30 0.00 0.00 177.93 178.26 3a1y n VAL 4 N -3.36 0.00 -1.93 5.26 3.14 -1.26 -5.16 118.33 115.02 3a1y n VAL 4 Ca -0.01 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.01 3a1y n VAL 4 Cb 0.23 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 33.05 3a1y n VAL 4 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3a1y s ALA 5 N -1.73 2.49 -0.01 1.55 0.00 -1.26 -4.92 121.76 117.88 3a1y s ALA 5 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.01 3a1y s ALA 5 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3a1y s ALA 5 CO 0.00 -1.28 0.00 0.39 0.00 0.00 0.00 175.76 174.87 3a1y n GLU 6 N -1.71 -0.17 -2.72 0.00 4.71 -1.26 -4.80 120.64 114.69 3a1y n GLU 6 Ca 0.14 0.06 -0.40 0.00 -0.01 0.00 0.00 57.16 56.95 3a1y n GLU 6 Cb 0.49 -3.21 -0.05 0.00 -1.01 0.00 0.00 31.44 27.66 3a1y n GLU 6 CO 0.00 0.00 0.00 -0.46 0.09 0.00 0.00 177.13 176.76 3a1y s TRP 7 N -1.92 3.89 -0.00 -0.32 -0.11 -1.26 -4.95 118.94 114.27 3a1y s TRP 7 Ca 0.00 1.85 -0.27 0.00 1.22 0.00 0.00 56.10 58.90 3a1y s TRP 7 Cb 0.00 -3.04 -0.04 0.00 -1.50 0.00 0.00 33.47 28.90 3a1y s TRP 7 CO 0.00 0.27 0.85 0.15 -4.62 0.00 0.00 176.95 173.60 3a1y s LYS 8 N -0.79 4.52 -1.47 5.86 1.02 -1.26 -0.86 119.74 126.75 3a1y s LYS 8 Ca 0.43 1.19 -0.05 0.00 0.02 0.00 0.00 55.97 57.56 3a1y s LYS 8 Cb -0.26 -3.43 0.02 0.00 -0.52 0.00 0.00 37.83 33.64 3a1y s LYS 8 CO 0.32 0.07 0.46 1.63 -0.92 0.00 0.00 175.35 176.90 3a1y n LYS 9 N 3.57 -3.94 0.00 1.68 4.01 -1.26 -4.77 118.16 117.45 3a1y n LYS 9 Ca 0.02 0.79 0.00 0.00 -0.51 0.00 0.00 58.31 58.61 3a1y n LYS 9 Cb 0.51 -5.57 0.00 0.00 -0.51 0.00 0.00 35.03 29.46 3a1y n LYS 9 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 3a1y n LYS 10 N -3.74 0.00 -0.04 1.97 4.81 -1.12 -4.28 118.16 115.77 3a1y n LYS 10 Ca -0.11 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.21 3a1y n LYS 10 Cb 0.61 -0.73 -0.11 0.00 0.02 0.00 0.00 35.03 34.82 3a1y n LYS 10 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3a1y h GLU 11 N 0.00 -0.02 0.00 1.64 4.57 -1.30 -2.69 114.58 116.77 3a1y h GLU 11 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 3a1y h GLU 11 Cb 0.87 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 3a1y h GLU 11 CO 0.00 0.73 -0.37 -0.24 -1.18 0.00 0.00 179.01 177.96 3a1y h VAL 12 N -0.88 1.03 0.38 0.32 3.04 -1.84 -0.58 116.25 117.72 3a1y h VAL 12 Ca -0.00 -1.37 -0.02 0.00 -1.01 0.00 0.00 66.70 64.30 3a1y h VAL 12 Cb 0.77 1.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 3a1y h VAL 12 CO 0.00 0.36 -0.18 -0.08 -1.01 0.00 0.00 177.57 176.66 3a1y h GLU 13 N 0.00 -0.49 -0.21 4.17 4.81 -1.75 0.11 114.58 121.22 3a1y h GLU 13 Ca -0.00 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3a1y h GLU 13 Cb 0.76 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 3a1y h GLU 13 CO 0.05 -0.33 0.10 1.49 -0.73 0.00 0.00 179.01 179.59 3a1y h GLU 14 N -0.51 0.31 -0.48 1.92 4.57 -1.24 -2.38 114.58 116.77 3a1y h GLU 14 Ca -0.05 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3a1y h GLU 14 Cb 0.39 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 3a1y h GLU 14 CO 0.09 0.34 0.32 -0.07 -1.18 0.00 0.00 179.01 178.50 3a1y h LEU 15 N 0.21 0.47 0.19 1.64 3.38 -1.14 -2.15 115.31 117.91 3a1y h LEU 15 Ca 0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3a1y h LEU 15 Cb 0.13 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3a1y h LEU 15 CO -0.01 0.33 -0.26 0.00 0.09 0.00 0.00 178.44 178.59 3a1y h ALA 16 N 1.72 -0.90 -0.92 1.53 0.00 -0.46 -1.74 119.26 118.49 3a1y h ALA 16 Ca 0.19 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.19 3a1y h ALA 16 Cb 0.07 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 3a1y h ALA 16 CO -0.05 -0.93 0.59 0.87 0.00 0.00 0.00 179.25 179.73 3a1y h LYS 17 N -0.47 0.59 -0.02 0.00 1.57 -1.36 -2.58 116.57 114.30 3a1y h LYS 17 Ca -0.02 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3a1y h LYS 17 Cb 0.43 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3a1y h LYS 17 CO -0.07 0.39 0.01 1.25 -0.57 0.00 0.00 179.45 180.46 3a1y h LEU 18 N 0.61 0.03 -0.97 2.94 5.85 -1.11 -2.05 115.31 120.60 3a1y h LEU 18 Ca 0.48 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 3a1y h LEU 18 Cb 0.91 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 3a1y h LEU 18 CO -0.23 0.21 0.58 0.40 -0.34 0.00 0.00 178.44 179.06 3a1y h ILE 19 N -0.15 1.26 0.00 4.05 2.04 -0.95 -0.62 117.51 123.13 3a1y h ILE 19 Ca 0.01 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3a1y h ILE 19 Cb 0.19 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 3a1y h ILE 19 CO -0.00 0.27 0.00 0.29 0.00 0.00 0.00 178.15 178.71 3a1y n LYS 20 N -4.36 0.08 0.03 2.37 5.02 -1.01 -3.18 118.16 117.11 3a1y n LYS 20 Ca 0.11 0.34 0.11 0.00 -2.02 0.00 0.00 58.31 56.85 3a1y n LYS 20 Cb 0.05 -1.66 0.03 0.00 -0.02 0.00 0.00 35.03 33.44 3a1y n LYS 20 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3a1y n SER 21 N -1.80 0.62 -4.19 4.39 7.64 -0.24 -4.94 113.62 115.09 3a1y n SER 21 Ca 0.03 -0.16 -0.22 0.00 1.01 0.00 0.00 58.87 59.52 3a1y n SER 21 Cb 0.18 0.75 -0.14 0.00 -1.01 0.00 0.00 64.21 64.00 3a1y n SER 21 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3a1y s TYR 22 N -3.21 1.48 -0.18 1.43 1.51 -1.19 -5.05 117.35 112.15 3a1y s TYR 22 Ca 0.04 -0.36 0.27 0.00 -1.01 0.00 0.00 57.07 56.00 3a1y s TYR 22 Cb 0.14 -0.88 0.75 0.00 -0.11 0.00 0.00 41.96 41.86 3a1y s TYR 22 CO 0.80 0.06 1.76 -1.00 -1.11 0.00 0.00 175.55 176.05 3a1y h PRO 23 N 4.93 0.00 -4.44 -1.71 0.13 -1.86 -3.45 132.00 125.60 3a1y h PRO 23 Ca -0.40 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.17 3a1y h PRO 23 Cb 1.17 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.94 3a1y h PRO 23 CO 0.44 0.05 -0.82 0.08 -0.23 0.00 0.00 178.00 177.52 3a1y s VAL 24 N -3.40 1.31 -0.21 1.56 1.01 -0.96 -4.20 120.40 115.52 3a1y s VAL 24 Ca 0.04 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3a1y s VAL 24 Cb 0.07 -1.28 0.05 0.00 0.00 0.00 0.00 36.38 35.22 3a1y s VAL 24 CO 0.62 0.39 -0.10 -0.63 0.00 0.00 0.00 175.10 175.39 3a1y s ILE 25 N 1.59 1.65 0.05 2.22 1.01 -0.25 -1.11 121.20 126.36 3a1y s ILE 25 Ca 0.05 -1.07 0.05 0.00 0.00 0.00 0.00 60.65 59.68 3a1y s ILE 25 Cb -0.13 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 3a1y s ILE 25 CO -0.09 0.12 -0.10 0.00 0.00 0.00 0.00 174.94 174.86 3a1y s ALA 26 N 1.38 2.91 -0.20 9.38 0.00 0.71 0.03 121.76 135.97 3a1y s ALA 26 Ca -0.02 -1.14 -0.09 0.00 0.00 0.00 0.00 51.96 50.71 3a1y s ALA 26 Cb -0.17 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 3a1y s ALA 26 CO -0.08 0.62 0.12 -0.51 0.00 0.00 0.00 175.76 175.91 3a1y s LEU 27 N -1.71 4.10 0.11 0.00 1.02 -0.37 -0.32 118.68 121.51 3a1y s LEU 27 Ca 0.18 0.18 0.09 0.00 0.02 0.00 0.00 54.13 54.59 3a1y s LEU 27 Cb -0.11 -2.06 -0.04 0.00 0.02 0.00 0.00 46.19 44.00 3a1y s LEU 27 CO 0.09 0.16 -0.22 0.68 0.02 0.00 0.00 176.35 177.09 3a1y s VAL 28 N 0.47 1.81 -0.25 -1.59 -7.23 -0.59 -0.53 120.40 112.48 3a1y s VAL 28 Ca 0.07 -1.61 -0.17 0.00 -1.81 0.00 0.00 61.98 58.45 3a1y s VAL 28 Cb -0.12 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 3a1y s VAL 28 CO -0.01 -0.06 0.49 -0.62 -0.31 0.00 0.00 175.10 174.59 3a1y s ASP 29 N -2.00 6.42 0.00 4.85 -1.08 0.14 0.34 116.67 125.35 3a1y s ASP 29 Ca 0.08 0.50 0.16 0.00 -0.52 0.00 0.00 52.55 52.78 3a1y s ASP 29 Cb -0.10 -2.27 0.01 0.00 -1.46 0.00 0.00 42.92 39.10 3a1y s ASP 29 CO 0.05 -0.25 0.87 1.33 0.52 0.00 0.00 175.17 177.69 3a1y n VAL 30 N 5.03 0.00 0.32 1.11 0.24 -0.92 -2.49 118.33 121.62 3a1y n VAL 30 Ca -0.05 -0.35 0.19 0.00 -2.04 0.00 0.00 64.34 62.10 3a1y n VAL 30 Cb 0.50 1.20 1.05 0.00 -1.47 0.00 0.00 33.84 35.12 3a1y n VAL 30 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3a1y h SER 31 N 1.93 0.00 1.34 -1.34 4.64 -1.88 -1.98 113.55 116.27 3a1y h SER 31 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a1y h SER 31 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3a1y h SER 31 CO 0.00 0.01 -0.05 -1.54 -0.87 0.00 0.00 176.83 174.38 3a1y n SER 32 N -3.35 0.68 -4.62 4.97 3.41 -1.26 -4.84 113.62 108.61 3a1y n SER 32 Ca -0.03 0.52 -0.39 0.00 -0.26 0.00 0.00 58.87 58.72 3a1y n SER 32 Cb 0.11 -0.66 -0.09 0.00 -0.26 0.00 0.00 64.21 63.31 3a1y n SER 32 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3a1y s MET 33 N -3.09 4.05 1.05 4.33 -1.94 -0.75 -4.87 119.30 118.08 3a1y s MET 33 Ca 0.11 0.02 -0.12 0.00 -1.71 0.00 0.00 55.69 53.99 3a1y s MET 33 Cb 0.13 -3.62 0.22 0.00 2.01 0.00 0.00 34.83 33.57 3a1y s MET 33 CO 0.60 -0.20 1.07 -2.14 -0.01 0.00 0.00 175.02 174.35 3a1y s PRO 34 N 1.82 -0.07 0.21 2.03 0.02 -1.26 -4.71 135.00 133.05 3a1y s PRO 34 Ca 0.15 1.09 -0.10 0.00 0.02 0.00 0.00 61.00 62.16 3a1y s PRO 34 Cb -0.15 -1.63 0.19 0.00 0.02 0.00 0.00 34.50 32.92 3a1y s PRO 34 CO 0.09 -3.22 1.87 0.00 -0.33 0.00 0.00 177.00 175.40 3a1y h ALA 35 N -2.28 0.97 0.03 -1.55 0.00 -1.99 -1.55 119.26 112.89 3a1y h ALA 35 Ca -0.54 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 3a1y h ALA 35 Cb 1.31 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3a1y h ALA 35 CO 0.47 0.30 -0.01 -0.92 0.00 0.00 0.00 179.25 179.09 3a1y h TYR 36 N 0.95 -0.04 -0.96 0.00 3.20 -1.99 -1.38 116.97 116.76 3a1y h TYR 36 Ca 0.29 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.36 3a1y h TYR 36 Cb -0.03 0.01 -0.11 0.00 1.54 0.00 0.00 36.73 38.14 3a1y h TYR 36 CO -0.03 0.54 0.54 -1.35 -1.64 0.00 0.00 178.16 176.23 3a1y h PRO 37 N -0.66 0.62 -0.55 1.82 0.11 -1.92 0.59 132.00 132.02 3a1y h PRO 37 Ca -0.00 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 3a1y h PRO 37 Cb 0.60 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 3a1y h PRO 37 CO 0.01 0.41 0.11 1.25 -0.21 0.00 0.00 178.00 179.56 3a1y h LEU 38 N 0.63 0.85 -0.82 2.35 5.85 -1.27 -0.67 115.31 122.24 3a1y h LEU 38 Ca 0.57 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 59.10 3a1y h LEU 38 Cb 0.97 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.72 3a1y h LEU 38 CO -0.43 0.88 0.51 -1.28 -0.34 0.00 0.00 178.44 177.78 3a1y h SER 39 N 0.78 0.81 -0.36 1.25 0.87 0.10 0.22 113.55 117.22 3a1y h SER 39 Ca 0.17 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.66 3a1y h SER 39 Cb 0.38 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 3a1y h SER 39 CO 0.01 0.53 -0.07 1.56 -0.53 0.00 0.00 176.83 178.33 3a1y h GLN 40 N 0.94 0.78 -0.16 2.24 1.08 -0.61 -2.03 115.11 117.36 3a1y h GLN 40 Ca 0.35 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 3a1y h GLN 40 Cb 0.13 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3a1y h GLN 40 CO -0.16 0.83 0.07 0.52 -0.95 0.00 0.00 178.83 179.14 3a1y h MET 41 N 0.71 0.23 -0.67 1.46 2.86 -0.26 -2.11 114.93 117.15 3a1y h MET 41 Ca 0.13 -0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.86 3a1y h MET 41 Cb 0.53 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.06 3a1y h MET 41 CO 0.03 0.30 0.17 0.00 1.06 0.00 0.00 176.91 178.47 3a1y h ARG 42 N 0.10 0.29 -0.31 1.72 3.08 -0.83 -0.53 114.38 117.90 3a1y h ARG 42 Ca 0.05 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.09 3a1y h ARG 42 Cb 0.16 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3a1y h ARG 42 CO -0.01 0.19 0.19 0.00 -1.07 0.00 0.00 179.97 179.28 3a1y h ARG 43 N 0.30 0.39 -0.59 0.04 3.08 -1.22 -1.11 114.38 115.25 3a1y h ARG 43 Ca 0.36 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.42 3a1y h ARG 43 Cb 0.56 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 3a1y h ARG 43 CO -0.43 0.26 0.35 1.25 -1.07 0.00 0.00 179.97 180.32 3a1y h LEU 44 N 0.40 0.56 -0.76 3.04 5.85 -0.99 -1.27 115.31 122.14 3a1y h LEU 44 Ca 0.12 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 3a1y h LEU 44 Cb -0.03 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3a1y h LEU 44 CO -0.04 0.38 0.15 0.40 -0.34 0.00 0.00 178.44 179.00 3a1y h ILE 45 N 0.68 1.26 -0.52 4.05 2.04 -0.88 -2.37 117.51 121.78 3a1y h ILE 45 Ca 0.25 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 3a1y h ILE 45 Cb 0.06 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3a1y h ILE 45 CO -0.12 0.37 0.15 0.03 0.00 0.00 0.00 178.15 178.58 3a1y h ARG 46 N 1.03 0.81 0.00 2.37 3.08 -0.91 -2.12 114.38 118.65 3a1y h ARG 46 Ca 0.21 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3a1y h ARG 46 Cb 0.38 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3a1y h ARG 46 CO 0.00 0.75 0.00 0.39 -1.07 0.00 0.00 179.97 180.05 3a1y n GLU 47 N -4.47 0.15 -0.71 0.04 1.02 -0.50 -2.94 120.64 113.23 3a1y n GLU 47 Ca 0.02 0.50 -0.00 0.00 -0.02 0.00 0.00 57.16 57.65 3a1y n GLU 47 Cb 0.20 -1.87 0.20 0.00 -0.02 0.00 0.00 31.44 29.96 3a1y n GLU 47 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3a1y n ASN 48 N -2.17 2.28 0.00 1.62 4.13 -0.86 -4.98 115.26 115.28 3a1y n ASN 48 Ca 0.01 -3.77 0.00 0.00 1.68 0.00 0.00 54.58 52.50 3a1y n ASN 48 Cb 0.14 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 37.79 3a1y n ASN 48 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3a1y n GLY 49 N -1.11 0.74 0.35 7.41 0.00 -1.15 -4.63 105.19 106.81 3a1y n GLY 49 Ca 0.28 -0.53 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 3a1y n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a1y n GLY 50 N -2.36 2.38 3.55 -0.02 0.00 -0.85 -1.94 105.19 105.95 3a1y n GLY 50 Ca 0.00 -1.19 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 3a1y n GLY 50 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3a1y s LEU 51 N 0.00 -0.28 -0.06 0.99 -0.00 0.44 -3.16 118.68 116.60 3a1y s LEU 51 Ca 0.02 -0.29 0.05 0.00 -0.00 0.00 0.00 54.13 53.91 3a1y s LEU 51 Cb -0.00 2.48 -0.02 0.00 -0.00 0.00 0.00 46.19 48.65 3a1y s LEU 51 CO 0.02 -1.08 -0.20 -0.22 -0.00 0.00 0.00 176.35 174.86 3a1y s LEU 52 N -2.83 2.36 -0.05 1.48 2.96 -1.26 -1.15 118.68 120.20 3a1y s LEU 52 Ca 0.06 -0.39 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 3a1y s LEU 52 Cb -0.02 -1.46 0.00 0.00 0.50 0.00 0.00 46.19 45.22 3a1y s LEU 52 CO -0.05 0.27 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.99 3a1y s ARG 53 N -0.31 1.54 -0.12 1.98 1.81 0.11 -4.97 118.95 118.98 3a1y s ARG 53 Ca 0.01 -0.45 -0.02 0.00 -1.72 0.00 0.00 55.73 53.55 3a1y s ARG 53 Cb -0.13 -1.32 -0.03 0.00 -0.45 0.00 0.00 34.95 33.02 3a1y s ARG 53 CO 0.02 0.12 -0.05 0.14 -0.68 0.00 0.00 175.30 174.86 3a1y s VAL 54 N 0.32 3.79 0.04 3.52 -7.23 -1.26 0.11 120.40 119.69 3a1y s VAL 54 Ca -0.08 -0.42 -0.02 0.00 -1.81 0.00 0.00 61.98 59.65 3a1y s VAL 54 Cb -0.12 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.21 3a1y s VAL 54 CO 0.02 0.54 0.11 -1.20 -0.31 0.00 0.00 175.10 174.27 3a1y n SER 55 N 2.99 -0.25 0.00 4.85 7.64 -1.26 -5.03 113.62 122.56 3a1y n SER 55 Ca -0.18 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.55 3a1y n SER 55 Cb 0.53 0.41 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 3a1y n SER 55 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3a1y n ARG 56 N -0.08 0.00 0.10 1.43 3.00 -1.26 -4.76 116.66 115.09 3a1y n ARG 56 Ca -0.01 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 57.90 3a1y n ARG 56 Cb 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.53 3a1y n ARG 56 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 3a1y h ASN 57 N 0.00 0.00 1.74 6.15 -1.24 -2.00 -3.34 115.58 116.89 3a1y h ASN 57 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3a1y h ASN 57 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 3a1y h ASN 57 CO 0.00 0.28 0.00 0.71 -1.29 0.00 0.00 177.43 177.13 3a1y h THR 58 N 0.00 0.00 -0.33 -3.57 1.35 -2.01 -2.02 112.91 106.33 3a1y h THR 58 Ca -0.06 -0.80 -0.00 0.00 -0.55 0.00 0.00 66.41 65.00 3a1y h THR 58 Cb 1.26 1.79 -0.02 0.00 -1.73 0.00 0.00 68.15 69.46 3a1y h THR 58 CO 0.03 0.00 0.19 0.25 -0.25 0.00 0.00 175.52 175.74 3a1y h LEU 59 N 0.00 0.41 -8.95 3.87 6.46 -1.87 -3.40 115.31 111.83 3a1y h LEU 59 Ca 0.00 -0.07 -0.58 0.00 -0.12 0.00 0.00 57.88 57.11 3a1y h LEU 59 Cb 0.87 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 3a1y h LEU 59 CO 0.00 0.36 1.36 0.27 -0.62 0.00 0.00 178.44 179.82 3a1y s ILE 60 N -5.92 3.26 0.00 4.05 -4.36 -0.76 -2.43 121.20 115.04 3a1y s ILE 60 Ca -0.13 0.27 0.00 0.00 -0.26 0.00 0.00 60.65 60.53 3a1y s ILE 60 Cb 0.10 -3.34 0.00 0.00 1.25 0.00 0.00 42.46 40.47 3a1y s ILE 60 CO 0.72 -0.20 0.00 1.21 0.24 0.00 0.00 174.94 176.91 3a1y n GLU 61 N 8.50 0.00 -0.03 0.37 0.00 -1.26 -4.81 120.64 123.41 3a1y n GLU 61 Ca 0.26 0.00 0.24 0.00 0.00 0.00 0.00 57.16 57.66 3a1y n GLU 61 Cb 0.46 0.00 0.63 0.00 0.00 0.00 0.00 31.44 32.53 3a1y n GLU 61 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3a1y h LEU 62 N 0.00 0.00 0.01 4.31 4.07 -1.79 -2.48 115.31 119.43 3a1y h LEU 62 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 3a1y h LEU 62 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3a1y h LEU 62 CO 0.00 0.00 -0.01 0.00 -1.08 0.00 0.00 178.44 177.35 3a1y h ALA 63 N 1.12 -0.02 0.00 1.53 0.00 -1.87 -0.62 119.26 119.41 3a1y h ALA 63 Ca 0.32 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3a1y h ALA 63 Cb 1.82 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 3a1y h ALA 63 CO -0.00 -0.40 -0.28 0.97 0.00 0.00 0.00 179.25 179.53 3a1y h ILE 64 N -0.23 1.16 0.17 0.00 6.09 -1.81 0.96 117.51 123.85 3a1y h ILE 64 Ca -0.00 -0.98 -0.26 0.00 -1.37 0.00 0.00 64.86 62.24 3a1y h ILE 64 Cb 0.22 1.53 0.03 0.00 0.47 0.00 0.00 36.82 39.08 3a1y h ILE 64 CO 0.00 0.28 -1.14 0.11 -3.07 0.00 0.00 178.15 174.33 3a1y h LYS 65 N 0.00 0.47 -0.71 2.19 1.79 -1.55 -0.73 116.57 118.02 3a1y h LYS 65 Ca -0.00 -0.73 0.02 0.00 -2.18 0.00 0.00 60.65 57.76 3a1y h LYS 65 Cb 0.51 0.26 -0.04 0.00 -1.58 0.00 0.00 32.23 31.38 3a1y h LYS 65 CO 0.04 1.34 0.45 -0.22 -1.08 0.00 0.00 179.45 179.98 3a1y h LYS 66 N -0.03 0.88 0.09 3.15 3.11 -0.93 -2.15 116.57 120.68 3a1y h LYS 66 Ca -0.19 -0.05 -0.00 0.00 -2.81 0.00 0.00 60.65 57.59 3a1y h LYS 66 Cb 1.88 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.91 3a1y h LYS 66 CO 0.22 0.58 -0.04 0.00 -2.81 0.00 0.00 179.45 177.39 3a1y h ALA 67 N 1.29 -0.13 0.00 5.00 0.00 -0.86 -2.55 119.26 122.02 3a1y h ALA 67 Ca 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3a1y h ALA 67 Cb -0.02 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3a1y h ALA 67 CO -0.09 -0.45 0.14 0.00 0.00 0.00 0.00 179.25 178.84 3a1y n ALA 68 N -2.27 0.80 -3.00 0.00 0.00 -0.28 -4.57 120.51 111.19 3a1y n ALA 68 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3a1y n ALA 68 Cb 0.17 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3a1y n ALA 68 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3a1y n LYS 69 N -1.81 1.50 -0.05 0.00 2.85 -0.83 -5.06 118.16 114.76 3a1y n LYS 69 Ca -0.01 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.27 3a1y n LYS 69 Cb 0.15 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.58 3a1y n LYS 69 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3a1y n GLU 70 N 0.00 2.58 0.00 -1.58 2.13 -1.21 -4.91 120.64 117.66 3a1y n GLU 70 Ca 0.00 -1.57 0.00 0.00 0.66 0.00 0.00 57.16 56.25 3a1y n GLU 70 Cb 0.00 -1.08 0.00 0.00 0.27 0.00 0.00 31.44 30.63 3a1y n GLU 70 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3a1y n LEU 71 N -0.14 0.00 -2.71 4.31 7.99 -1.25 -5.08 117.00 120.12 3a1y n LEU 71 Ca 0.03 0.00 -0.07 0.00 -0.01 0.00 0.00 56.01 55.96 3a1y n LEU 71 Cb 0.28 0.00 0.09 0.00 -0.11 0.00 0.00 43.42 43.69 3a1y n LEU 71 CO 0.02 0.00 0.45 0.61 -1.51 0.00 0.00 177.39 176.96 3a1y n GLY 72 N 5.00 0.44 0.50 -0.72 0.00 -1.26 -4.96 105.19 104.19 3a1y n GLY 72 Ca 0.00 0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.16 3a1y n GLY 72 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3a1y n LYS 73 N 0.11 2.86 0.00 1.61 2.85 -1.26 -4.56 118.16 119.77 3a1y n LYS 73 Ca 0.01 -1.92 0.00 0.00 -1.05 0.00 0.00 58.31 55.35 3a1y n LYS 73 Cb 0.74 -1.21 0.00 0.00 -0.65 0.00 0.00 35.03 33.91 3a1y n LYS 73 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 3a1y n PRO 74 N 0.30 2.77 0.04 -1.58 -0.04 -1.26 -4.85 135.00 130.37 3a1y n PRO 74 Ca 0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.53 3a1y n PRO 74 Cb 0.39 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.84 3a1y n PRO 74 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3a1y h GLU 75 N 0.00 -0.10 0.00 0.54 4.81 -1.93 -3.42 114.58 114.48 3a1y h GLU 75 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3a1y h GLU 75 Cb 0.00 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3a1y h GLU 75 CO 0.00 -0.07 0.00 1.28 -0.73 0.00 0.00 179.01 179.49 3a1y n LEU 76 N -2.54 0.00 -0.83 1.64 7.99 -1.26 -3.01 117.00 118.99 3a1y n LEU 76 Ca -0.01 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.03 3a1y n LEU 76 Cb 0.04 0.00 0.16 0.00 -0.11 0.00 0.00 43.42 43.52 3a1y n LEU 76 CO 0.03 0.00 0.59 -0.62 -1.51 0.00 0.00 177.39 175.88 3a1y n GLU 77 N 0.00 2.18 0.00 3.23 -0.58 -1.26 -4.88 120.64 119.33 3a1y n GLU 77 Ca 0.00 -1.31 0.00 0.00 -0.42 0.00 0.00 57.16 55.43 3a1y n GLU 77 Cb 0.00 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 3a1y n GLU 77 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3a1y n LYS 78 N 0.42 1.55 0.00 3.49 4.81 -1.16 -4.99 118.16 122.28 3a1y n LYS 78 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 3a1y n LYS 78 Cb 0.44 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.49 3a1y n LYS 78 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3a1y n LEU 79 N 0.00 0.00 -2.82 3.14 4.77 -1.26 -4.99 117.00 115.84 3a1y n LEU 79 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 3a1y n LEU 79 Cb 0.00 -0.17 0.06 0.00 -2.33 0.00 0.00 43.42 40.98 3a1y n LEU 79 CO 0.00 -0.24 0.22 1.33 -1.33 0.00 0.00 177.39 177.37 3a1y n VAL 80 N -1.91 -0.04 0.00 4.08 0.24 -1.26 -5.08 118.33 114.36 3a1y n VAL 80 Ca 0.00 -2.09 0.00 0.00 -2.04 0.00 0.00 64.34 60.21 3a1y n VAL 80 Cb 0.00 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 3a1y n VAL 80 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3a1y n GLU 81 N 0.48 0.00 0.00 7.34 2.13 -1.26 -4.53 120.64 124.80 3a1y n GLU 81 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 3a1y n GLU 81 Cb 0.68 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.39 3a1y n GLU 81 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3a1y n TYR 82 N 0.00 0.00 -1.94 4.31 4.02 -1.26 -4.81 117.16 117.48 3a1y n TYR 82 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 3a1y n TYR 82 Cb 0.00 -0.02 -0.01 0.00 -0.02 0.00 0.00 39.34 39.29 3a1y n TYR 82 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 3a1y s ILE 83 N -1.51 2.35 0.39 -0.72 2.07 -1.26 -4.83 121.20 117.68 3a1y s ILE 83 Ca 0.00 0.34 0.03 0.00 -1.41 0.00 0.00 60.65 59.61 3a1y s ILE 83 Cb 0.00 -3.22 -0.01 0.00 0.13 0.00 0.00 42.46 39.36 3a1y s ILE 83 CO 0.00 0.08 0.11 -0.90 -1.91 0.00 0.00 174.94 172.32 3a1y n ASP 84 N 0.52 1.57 -4.74 4.50 5.68 -1.26 -5.06 116.55 117.76 3a1y n ASP 84 Ca 0.01 -2.98 -0.42 0.00 -0.50 0.00 0.00 54.79 50.90 3a1y n ASP 84 Cb 0.41 0.83 -0.02 0.00 -1.14 0.00 0.00 41.12 41.20 3a1y n ASP 84 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3a1y s ARG 85 N -3.46 4.14 -1.48 0.11 3.52 -1.26 -2.11 118.95 118.41 3a1y s ARG 85 Ca 0.15 2.55 -0.12 0.00 -0.13 0.00 0.00 55.73 58.18 3a1y s ARG 85 Cb 0.01 -3.05 0.06 0.00 -1.56 0.00 0.00 34.95 30.41 3a1y s ARG 85 CO 0.11 -0.64 1.04 0.41 -0.81 0.00 0.00 175.30 175.40 3a1y n GLY 86 N 2.66 -0.51 3.81 8.12 0.00 -1.26 -4.82 105.19 113.19 3a1y n GLY 86 Ca 0.10 0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 3a1y n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1y s ALA 87 N -3.32 3.11 0.40 4.61 0.00 -0.90 -2.17 121.76 123.50 3a1y s ALA 87 Ca 0.63 0.40 0.07 0.00 0.00 0.00 0.00 51.96 53.06 3a1y s ALA 87 Cb -0.30 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 3a1y s ALA 87 CO 0.80 0.16 0.04 0.20 0.00 0.00 0.00 175.76 176.97 3a1y s GLY 88 N -2.03 2.43 -0.14 0.00 0.00 0.15 -4.44 107.32 103.28 3a1y s GLY 88 Ca 0.58 -2.23 0.01 0.00 0.00 0.00 0.00 44.72 43.08 3a1y s GLY 88 CO 0.16 -2.04 -0.18 -1.50 0.00 0.00 0.00 173.10 169.55 3a1y s ILE 89 N -2.67 2.49 -0.22 0.90 2.07 0.12 -1.55 121.20 122.35 3a1y s ILE 89 Ca 0.36 -0.84 0.01 0.00 -1.41 0.00 0.00 60.65 58.78 3a1y s ILE 89 Cb 0.08 -2.03 0.04 0.00 0.13 0.00 0.00 42.46 40.67 3a1y s ILE 89 CO 0.19 0.53 -0.15 -0.22 -1.91 0.00 0.00 174.94 173.38 3a1y s LEU 90 N 0.74 2.72 -0.12 8.50 2.96 0.56 0.06 118.68 134.09 3a1y s LEU 90 Ca -0.07 -0.95 -0.05 0.00 -0.22 0.00 0.00 54.13 52.84 3a1y s LEU 90 Cb -0.16 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 3a1y s LEU 90 CO 0.01 -0.08 0.06 0.68 -1.32 0.00 0.00 176.35 175.69 3a1y s VAL 91 N 1.22 4.79 0.17 1.68 -7.23 -0.30 -0.21 120.40 120.53 3a1y s VAL 91 Ca -0.01 -0.06 -0.22 0.00 -1.81 0.00 0.00 61.98 59.89 3a1y s VAL 91 Cb -0.16 -3.08 0.06 0.00 0.56 0.00 0.00 36.38 33.76 3a1y s VAL 91 CO -0.09 0.57 0.60 0.28 -0.31 0.00 0.00 175.10 176.14 3a1y s THR 92 N -0.54 0.01 -1.58 5.32 -1.32 -0.27 -0.42 115.64 116.84 3a1y s THR 92 Ca 0.10 -0.21 0.24 0.00 -1.21 0.00 0.00 61.69 60.62 3a1y s THR 92 Cb -0.12 -1.17 0.08 0.00 -1.51 0.00 0.00 72.50 69.78 3a1y s THR 92 CO 0.02 -0.03 1.33 0.59 -2.21 0.00 0.00 174.62 174.32 3a1y n ASN 93 N -0.38 1.17 -4.73 8.08 3.02 -0.82 -2.25 115.26 119.35 3a1y n ASN 93 Ca -0.15 -0.94 -0.42 0.00 -0.03 0.00 0.00 54.58 53.05 3a1y n ASN 93 Cb 0.64 0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 40.14 3a1y n ASN 93 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3a1y s MET 94 N -2.66 4.33 0.27 3.52 -1.94 -1.26 -4.95 119.30 116.61 3a1y s MET 94 Ca 0.18 2.14 -0.28 0.00 -1.71 0.00 0.00 55.69 56.02 3a1y s MET 94 Cb 0.18 -3.18 -0.15 0.00 2.01 0.00 0.00 34.83 33.69 3a1y s MET 94 CO 0.61 -0.36 0.90 -1.71 -0.01 0.00 0.00 175.02 174.45 3a1y n ASN 95 N 2.97 0.75 -0.21 3.03 2.85 -1.26 -4.68 115.26 118.71 3a1y n ASN 95 Ca 0.08 1.17 0.06 0.00 -0.11 0.00 0.00 54.58 55.77 3a1y n ASN 95 Cb 0.42 -1.22 0.33 0.00 1.24 0.00 0.00 39.78 40.55 3a1y n ASN 95 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3a1y h PRO 96 N 1.77 0.80 -0.24 1.20 0.11 -1.96 0.25 132.00 133.92 3a1y h PRO 96 Ca -0.37 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.60 3a1y h PRO 96 Cb 1.36 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3a1y h PRO 96 CO 0.60 0.53 -0.20 0.74 -0.21 0.00 0.00 178.00 179.45 3a1y h PHE 97 N 0.82 0.67 -0.53 0.65 0.04 -1.90 -1.59 116.94 115.11 3a1y h PHE 97 Ca 0.32 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.91 3a1y h PHE 97 Cb 0.23 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 3a1y h PHE 97 CO -0.00 0.87 0.34 -0.22 -0.60 0.00 0.00 178.31 178.70 3a1y h LYS 98 N 0.27 0.70 -0.42 1.51 1.63 -1.77 -1.98 116.57 116.52 3a1y h LYS 98 Ca 0.04 -0.05 0.06 0.00 -0.85 0.00 0.00 60.65 59.85 3a1y h LYS 98 Cb 0.74 -0.16 -0.05 0.00 -0.60 0.00 0.00 32.23 32.16 3a1y h LYS 98 CO 0.05 0.48 0.12 1.25 -3.45 0.00 0.00 179.45 177.90 3a1y h LEU 99 N 0.72 0.09 -0.04 5.20 5.85 -0.41 0.15 115.31 126.87 3a1y h LEU 99 Ca 0.19 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 3a1y h LEU 99 Cb -0.07 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 3a1y h LEU 99 CO -0.04 0.09 0.02 0.22 -0.34 0.00 0.00 178.44 178.39 3a1y h TYR 100 N 0.27 0.05 -0.37 1.25 5.03 -1.09 -0.80 116.97 121.31 3a1y h TYR 100 Ca 0.20 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.51 3a1y h TYR 100 Cb 0.21 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.46 3a1y h TYR 100 CO -0.17 0.07 0.22 -0.22 -1.32 0.00 0.00 178.16 176.73 3a1y h LYS 101 N 0.01 0.50 -0.46 1.82 3.64 -1.11 -1.94 116.57 119.03 3a1y h LYS 101 Ca 0.01 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.43 3a1y h LYS 101 Cb 0.03 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.68 3a1y h LYS 101 CO -0.00 0.37 0.06 0.35 -2.27 0.00 0.00 179.45 177.96 3a1y h PHE 102 N 0.48 0.08 -0.16 1.91 3.57 -0.42 -0.76 116.94 121.64 3a1y h PHE 102 Ca 0.13 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.55 3a1y h PHE 102 Cb 0.00 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3a1y h PHE 102 CO -0.04 -0.04 -0.39 -0.07 -2.23 0.00 0.00 178.31 175.54 3a1y h LEU 103 N 0.18 0.37 -0.52 0.59 4.07 -0.99 -0.96 115.31 118.05 3a1y h LEU 103 Ca 0.23 -0.15 -0.11 0.00 0.08 0.00 0.00 57.88 57.93 3a1y h LEU 103 Cb 0.32 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 3a1y h LEU 103 CO -0.33 0.72 -0.11 1.56 -1.08 0.00 0.00 178.44 179.20 3a1y h GLN 104 N 0.30 0.99 -0.00 1.13 7.50 -0.67 -3.28 115.11 121.07 3a1y h GLN 104 Ca 0.03 -0.37 0.00 0.00 0.50 0.00 0.00 58.65 58.81 3a1y h GLN 104 Cb 0.82 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.29 3a1y h GLN 104 CO 0.07 1.05 -0.67 1.04 -1.50 0.00 0.00 178.83 178.81 3a1y n GLN 105 N -4.18 0.12 -3.53 1.46 6.02 -0.35 -4.46 117.38 112.45 3a1y n GLN 105 Ca 0.01 -0.09 -0.31 0.00 -0.01 0.00 0.00 57.00 56.61 3a1y n GLN 105 Cb 0.40 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.08 3a1y n GLN 105 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3a1y n ASN 106 N -1.36 3.99 -0.77 1.08 3.02 -0.38 -4.81 115.26 116.03 3a1y n ASN 106 Ca 0.06 -3.33 0.02 0.00 -0.03 0.00 0.00 54.58 51.30 3a1y n ASN 106 Cb 0.34 -0.84 0.11 0.00 -0.61 0.00 0.00 39.78 38.78 3a1y n ASN 106 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3a1y n ARG 107 N 1.45 1.95 -2.91 3.52 5.12 -1.26 -4.84 116.66 119.69 3a1y n ARG 107 Ca 0.25 -0.86 -0.41 0.00 -1.93 0.00 0.00 57.85 54.91 3a1y n ARG 107 Cb 0.38 -1.58 -0.04 0.00 -1.16 0.00 0.00 32.46 30.06 3a1y n ARG 107 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3a1y s GLN 108 N -1.55 4.28 0.74 5.56 0.74 -1.26 -3.92 119.66 124.25 3a1y s GLN 108 Ca 0.15 0.98 -0.13 0.00 0.05 0.00 0.00 55.36 56.41 3a1y s GLN 108 Cb 0.11 -3.58 0.18 0.00 1.10 0.00 0.00 33.01 30.81 3a1y s GLN 108 CO 0.06 -0.33 0.88 -2.30 -0.55 0.00 0.00 175.29 173.05 3a1y n PRO 109 N 5.27 -1.40 -0.14 1.67 -0.02 -1.26 -4.29 135.00 134.82 3a1y n PRO 109 Ca 0.04 -1.38 0.00 0.00 -2.02 0.00 0.00 63.50 60.14 3a1y n PRO 109 Cb 0.49 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 3a1y n PRO 109 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3a1y n GLN 183 N -3.24 0.00 0.00 -0.52 3.00 -1.26 -4.01 117.38 111.35 3a1y n GLN 183 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 3a1y n GLN 183 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 30.24 30.60 3a1y n GLN 183 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 3a1y n PRO 184 N 0.03 0.00 -3.13 -1.09 -0.02 -1.26 -4.76 135.00 124.77 3a1y n PRO 184 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.09 3a1y n PRO 184 Cb 0.00 -1.16 -0.05 0.00 -0.02 0.00 0.00 33.50 32.27 3a1y n PRO 184 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3a1y s LEU 185 N 0.00 4.34 -0.07 2.45 2.34 -1.26 -5.08 118.68 121.40 3a1y s LEU 185 Ca 0.00 1.13 0.03 0.00 0.06 0.00 0.00 54.13 55.35 3a1y s LEU 185 Cb 0.00 -2.98 0.00 0.00 -0.56 0.00 0.00 46.19 42.65 3a1y s LEU 185 CO 0.00 -0.04 -0.17 -1.61 -1.06 0.00 0.00 176.35 173.47 3a1y s GLU 186 N 0.52 2.11 0.02 1.48 2.02 -1.26 -5.09 118.70 118.50 3a1y s GLU 186 Ca 0.34 -0.61 0.01 0.00 0.02 0.00 0.00 54.97 54.73 3a1y s GLU 186 Cb -0.17 -1.71 -0.02 0.00 0.10 0.00 0.00 34.13 32.33 3a1y s GLU 186 CO 0.17 0.14 -0.04 0.54 0.02 0.00 0.00 175.26 176.09 3a1y s VAL 187 N 0.37 0.24 0.00 2.63 0.11 -1.25 -5.11 120.40 117.38 3a1y s VAL 187 Ca -0.12 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.05 3a1y s VAL 187 Cb -0.15 -0.35 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 3a1y s VAL 187 CO 0.05 -0.41 0.00 0.61 -3.33 0.00 0.00 175.10 172.01 3a1y n GLY 188 N 1.70 2.79 3.66 6.54 0.00 -1.26 -4.46 105.19 114.16 3a1y n GLY 188 Ca -0.22 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 3a1y n GLY 188 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1y s LEU 189 N 0.00 4.11 -0.13 0.99 1.43 -1.26 -4.66 118.68 119.16 3a1y s LEU 189 Ca 0.00 0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 53.06 3a1y s LEU 189 Cb 0.00 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 3a1y s LEU 189 CO 0.00 0.08 0.38 -1.81 0.23 0.00 0.00 176.35 175.23 3a1y s ASP 190 N 0.99 6.56 0.18 2.29 1.01 -1.04 -4.77 116.67 121.90 3a1y s ASP 190 Ca 0.07 0.66 -0.30 0.00 0.71 0.00 0.00 52.55 53.70 3a1y s ASP 190 Cb -0.13 -2.23 -0.08 0.00 1.01 0.00 0.00 42.92 41.49 3a1y s ASP 190 CO 0.04 0.07 0.96 0.68 0.21 0.00 0.00 175.17 177.12 3a1y s VAL 191 N 0.45 4.24 -0.25 -1.27 -7.23 -1.26 0.28 120.40 115.36 3a1y s VAL 191 Ca 0.21 2.06 -0.05 0.00 -1.81 0.00 0.00 61.98 62.38 3a1y s VAL 191 Cb -0.14 -4.31 -0.17 0.00 0.56 0.00 0.00 36.38 32.32 3a1y s VAL 191 CO 0.07 0.41 -0.18 0.18 -0.31 0.00 0.00 175.10 175.27 3a1y n LEU 192 N 2.09 2.56 -3.56 1.32 4.32 0.30 -4.73 117.00 119.30 3a1y n LEU 192 Ca 0.00 0.08 -0.08 0.00 -0.02 0.00 0.00 56.01 55.99 3a1y n LEU 192 Cb 0.48 -0.91 -0.03 0.00 -1.62 0.00 0.00 43.42 41.34 3a1y n LEU 192 CO 0.51 0.78 0.83 0.00 -1.22 0.00 0.00 177.39 178.28 3a1y s ALA 193 N -2.51 -1.94 -0.05 -1.18 0.00 -1.18 -4.29 121.76 110.61 3a1y s ALA 193 Ca -0.35 1.45 -0.00 0.00 0.00 0.00 0.00 51.96 53.06 3a1y s ALA 193 Cb 0.10 -0.33 0.03 0.00 0.00 0.00 0.00 23.12 22.92 3a1y s ALA 193 CO 0.58 -0.47 -0.00 0.08 0.00 0.00 0.00 175.76 175.95 3a1y s VAL 194 N -1.95 0.29 -0.17 0.00 1.01 0.12 -1.23 120.40 118.45 3a1y s VAL 194 Ca 0.03 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.98 3a1y s VAL 194 Cb -0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 3a1y s VAL 194 CO -0.04 0.20 0.21 -0.47 0.00 0.00 0.00 175.10 175.00 3a1y s TYR 195 N 1.39 3.46 -0.07 5.22 5.04 0.10 0.83 117.35 133.32 3a1y s TYR 195 Ca -0.04 0.48 -0.05 0.00 -2.44 0.00 0.00 57.07 55.02 3a1y s TYR 195 Cb -0.13 -2.23 0.03 0.00 0.35 0.00 0.00 41.96 39.98 3a1y s TYR 195 CO -0.02 0.31 0.17 -2.00 -1.34 0.00 0.00 175.55 172.67 3a1y s GLU 196 N 0.26 0.17 -0.66 4.97 2.12 -0.20 -1.09 118.70 124.27 3a1y s GLU 196 Ca 0.13 0.30 -0.13 0.00 0.36 0.00 0.00 54.97 55.63 3a1y s GLU 196 Cb -0.12 -0.00 0.02 0.00 0.26 0.00 0.00 34.13 34.29 3a1y s GLU 196 CO 0.01 -0.07 0.41 -3.47 -0.54 0.00 0.00 175.26 171.60 3a1y n ASP 197 N 3.44 -2.78 0.00 -1.70 2.03 -1.26 -1.12 116.55 115.16 3a1y n ASP 197 Ca -0.17 -0.74 0.00 0.00 0.52 0.00 0.00 54.79 54.39 3a1y n ASP 197 Cb 0.56 -1.00 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 3a1y n ASP 197 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3a1y n GLY 198 N -1.48 1.91 3.24 0.27 0.00 -1.26 -5.03 105.19 102.84 3a1y n GLY 198 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 3a1y n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1y s ILE 199 N -2.51 1.76 -0.25 -0.61 1.01 -0.27 -4.85 121.20 115.47 3a1y s ILE 199 Ca 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.60 3a1y s ILE 199 Cb 0.00 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.95 3a1y s ILE 199 CO 0.00 0.50 0.17 -0.69 0.00 0.00 0.00 174.94 174.92 3a1y s VAL 200 N -0.40 5.34 -0.23 2.92 1.01 -1.26 -1.03 120.40 126.76 3a1y s VAL 200 Ca 0.05 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.11 3a1y s VAL 200 Cb -0.10 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 3a1y s VAL 200 CO 0.00 0.32 0.20 -0.31 0.00 0.00 0.00 175.10 175.31 3a1y s TYR 201 N 1.25 3.34 0.40 5.22 1.51 0.24 -4.92 117.35 124.40 3a1y s TYR 201 Ca 0.08 0.31 -0.03 0.00 -1.01 0.00 0.00 57.07 56.42 3a1y s TYR 201 Cb -0.14 -2.30 -0.04 0.00 -0.11 0.00 0.00 41.96 39.37 3a1y s TYR 201 CO 0.06 0.09 0.65 0.95 -1.11 0.00 0.00 175.55 176.20 3a1y s THR 202 N 0.97 5.00 0.41 -0.71 -4.23 -1.26 -0.71 115.64 115.12 3a1y s THR 202 Ca 0.10 -0.09 0.14 0.00 -1.18 0.00 0.00 61.69 60.65 3a1y s THR 202 Cb -0.13 -3.84 0.34 0.00 1.34 0.00 0.00 72.50 70.21 3a1y s THR 202 CO 0.04 -0.65 1.91 -0.65 -0.54 0.00 0.00 174.62 174.74 3a1y h PRO 203 N 0.67 0.47 -0.46 3.99 0.11 -1.85 -1.68 132.00 133.26 3a1y h PRO 203 Ca -0.48 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3a1y h PRO 203 Cb 1.21 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3a1y h PRO 203 CO 0.62 0.31 0.08 0.38 -0.21 0.00 0.00 178.00 179.18 3a1y h ASP 204 N 0.49 0.65 -0.22 -2.05 2.03 -1.94 -1.02 116.42 114.36 3a1y h ASP 204 Ca 0.38 -0.12 -0.15 0.00 -0.73 0.00 0.00 57.03 56.41 3a1y h ASP 204 Cb 0.78 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.11 3a1y h ASP 204 CO -0.13 0.67 -0.47 0.58 -1.03 0.00 0.00 179.24 178.86 3a1y h VAL 205 N 0.68 1.31 0.00 4.15 2.07 -1.73 -3.32 116.25 119.41 3a1y h VAL 205 Ca 0.15 -1.68 -0.07 0.00 0.82 0.00 0.00 66.70 65.92 3a1y h VAL 205 Cb 0.30 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3a1y h VAL 205 CO 0.00 0.53 -0.31 -0.07 0.02 0.00 0.00 177.57 177.74 3a1y h LEU 206 N 0.42 0.00 -8.02 2.57 3.38 -0.99 -3.40 115.31 109.27 3a1y h LEU 206 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 3a1y h LEU 206 Cb 1.07 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.74 3a1y h LEU 206 CO 0.10 0.31 1.73 0.00 0.09 0.00 0.00 178.44 180.68 3a1y s ALA 207 N -3.53 2.88 0.12 1.53 0.00 -0.42 -4.85 121.76 117.49 3a1y s ALA 207 Ca 0.01 -2.48 -0.30 0.00 0.00 0.00 0.00 51.96 49.19 3a1y s ALA 207 Cb 0.10 -4.58 -0.07 0.00 0.00 0.00 0.00 23.12 18.57 3a1y s ALA 207 CO 0.67 -3.59 1.18 0.42 0.00 0.00 0.00 175.76 174.44 3a1y s ILE 208 N 5.07 3.86 -0.86 0.00 1.09 -1.26 -4.99 121.20 124.11 3a1y s ILE 208 Ca 0.51 1.44 -0.18 0.00 -1.10 0.00 0.00 60.65 61.31 3a1y s ILE 208 Cb 0.01 -3.92 0.14 0.00 -1.06 0.00 0.00 42.46 37.63 3a1y s ILE 208 CO -0.02 0.17 1.01 -0.62 -0.10 0.00 0.00 174.94 175.38 3a1y s ASP 209 N 0.58 6.58 0.26 3.58 -1.08 -1.26 -4.91 116.67 120.41 3a1y s ASP 209 Ca 0.55 -2.03 -0.04 0.00 -0.52 0.00 0.00 52.55 50.51 3a1y s ASP 209 Cb -0.30 -2.36 0.34 0.00 -1.46 0.00 0.00 42.92 39.14 3a1y s ASP 209 CO 0.32 -1.00 1.91 -0.08 0.52 0.00 0.00 175.17 176.84 3a1y h GLU 210 N 8.72 1.23 -0.23 4.34 4.57 -2.00 -1.80 114.58 129.41 3a1y h GLU 210 Ca 0.07 -0.07 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 3a1y h GLU 210 Cb 1.04 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 3a1y h GLU 210 CO 1.05 0.81 -0.28 0.37 -1.18 0.00 0.00 179.01 179.78 3a1y h GLN 211 N 1.27 0.46 -0.47 1.92 5.75 -1.99 -1.70 115.11 120.34 3a1y h GLN 211 Ca 0.40 -0.18 0.01 0.00 -0.15 0.00 0.00 58.65 58.73 3a1y h GLN 211 Cb 0.01 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 3a1y h GLN 211 CO -0.13 0.70 0.30 1.49 -2.65 0.00 0.00 178.83 178.54 3a1y h GLU 212 N 0.40 0.60 -0.74 1.69 4.81 -1.76 0.22 114.58 119.80 3a1y h GLU 212 Ca 0.06 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3a1y h GLU 212 Cb 0.69 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 3a1y h GLU 212 CO 0.05 0.40 0.23 1.88 -0.73 0.00 0.00 179.01 180.84 3a1y h TYR 213 N 0.62 1.18 -0.24 0.92 -1.99 -1.21 -0.85 116.97 115.40 3a1y h TYR 213 Ca 0.17 -0.12 -0.04 0.00 2.00 0.00 0.00 58.73 60.75 3a1y h TYR 213 Cb -0.05 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 38.32 3a1y h TYR 213 CO -0.05 0.93 0.01 0.82 -0.00 0.00 0.00 178.16 179.87 3a1y h ILE 214 N 1.09 1.25 -0.97 -2.88 1.08 -0.96 -1.25 117.51 114.86 3a1y h ILE 214 Ca 0.24 -0.86 0.04 0.00 -0.39 0.00 0.00 64.86 63.89 3a1y h ILE 214 Cb 0.30 1.35 -0.06 0.00 -3.07 0.00 0.00 36.82 35.35 3a1y h ILE 214 CO -0.01 0.27 0.64 0.44 -0.69 0.00 0.00 178.15 178.80 3a1y h ASP 215 N 0.19 1.05 -0.03 1.72 3.32 -0.48 -1.88 116.42 120.32 3a1y h ASP 215 Ca 0.07 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 56.91 3a1y h ASP 215 Cb 0.39 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3a1y h ASP 215 CO 0.01 0.71 -0.71 0.24 -1.72 0.00 0.00 179.24 177.77 3a1y h MET 216 N 1.21 0.67 -0.41 3.56 2.86 -0.93 -0.17 114.93 121.72 3a1y h MET 216 Ca 0.39 -0.51 0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3a1y h MET 216 Cb 0.03 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3a1y h MET 216 CO -0.13 1.13 0.24 1.25 1.06 0.00 0.00 176.91 180.47 3a1y h LEU 217 N 0.47 0.39 -0.54 1.22 5.85 -1.01 0.13 115.31 121.81 3a1y h LEU 217 Ca -0.03 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 3a1y h LEU 217 Cb 1.31 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 3a1y h LEU 217 CO 0.14 0.28 -0.16 1.56 -0.34 0.00 0.00 178.44 179.92 3a1y h GLN 218 N 0.49 1.01 -0.25 1.25 4.20 -1.23 -0.95 115.11 119.62 3a1y h GLN 218 Ca 0.16 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.48 3a1y h GLN 218 Cb 0.01 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3a1y h GLN 218 CO -0.07 1.08 0.17 -0.22 -0.67 0.00 0.00 178.83 179.11 3a1y h LYS 219 N 0.88 0.33 -0.67 1.46 1.63 -0.78 -0.38 116.57 119.04 3a1y h LYS 219 Ca 0.13 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 3a1y h LYS 219 Cb 0.73 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.26 3a1y h LYS 219 CO 0.06 0.22 0.35 0.00 -3.45 0.00 0.00 179.45 176.62 3a1y h ALA 220 N 1.09 0.86 -0.51 5.00 0.00 -0.63 0.55 119.26 125.62 3a1y h ALA 220 Ca 0.09 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3a1y h ALA 220 Cb -0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3a1y h ALA 220 CO -0.02 0.40 0.32 -0.92 0.00 0.00 0.00 179.25 179.03 3a1y h TYR 221 N 0.92 0.60 -0.67 0.00 3.20 -1.02 -2.02 116.97 117.99 3a1y h TYR 221 Ca 0.23 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 3a1y h TYR 221 Cb 0.08 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 3a1y h TYR 221 CO -0.00 0.36 0.12 0.52 -1.64 0.00 0.00 178.16 177.52 3a1y h MET 222 N 0.65 1.10 -0.34 1.82 2.86 -0.64 -0.49 114.93 119.89 3a1y h MET 222 Ca 0.20 -0.29 0.06 0.00 -2.06 0.00 0.00 59.70 57.61 3a1y h MET 222 Cb -0.03 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 31.44 3a1y h MET 222 CO -0.07 1.00 -0.02 0.45 1.06 0.00 0.00 176.91 179.34 3a1y h HIS 223 N 1.03 -0.06 -0.40 -0.22 3.86 -0.71 0.22 115.15 118.86 3a1y h HIS 223 Ca 0.20 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 3a1y h HIS 223 Cb 0.43 0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 3a1y h HIS 223 CO 0.03 -0.08 0.16 0.00 0.86 0.00 0.00 177.93 178.90 3a1y h ALA 224 N 1.30 0.51 0.14 2.45 0.00 -1.10 -0.66 119.26 121.91 3a1y h ALA 224 Ca 0.16 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3a1y h ALA 224 Cb 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3a1y h ALA 224 CO -0.29 0.11 -0.15 0.35 0.00 0.00 0.00 179.25 179.26 3a1y h PHE 225 N 0.49 -0.40 -0.75 0.00 3.57 -0.86 -1.60 116.94 117.39 3a1y h PHE 225 Ca 0.13 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3a1y h PHE 225 Cb 0.18 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 3a1y h PHE 225 CO -0.00 -0.23 0.44 -0.91 -2.23 0.00 0.00 178.31 175.38 3a1y h ASN 226 N -0.33 0.92 0.19 0.41 2.35 -0.49 -1.37 115.58 117.27 3a1y h ASN 226 Ca 0.01 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3a1y h ASN 226 Cb 0.32 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3a1y h ASN 226 CO -0.05 0.72 -0.09 0.25 -1.65 0.00 0.00 177.43 176.61 3a1y h LEU 227 N 1.03 -0.22 -0.93 1.61 5.85 -1.09 -1.26 115.31 120.31 3a1y h LEU 227 Ca 0.27 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.93 3a1y h LEU 227 Cb -0.02 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 3a1y h LEU 227 CO -0.05 -0.03 0.60 0.00 -0.34 0.00 0.00 178.44 178.62 3a1y h ALA 228 N 0.37 1.25 -0.17 1.25 0.00 -1.09 -1.38 119.26 119.49 3a1y h ALA 228 Ca -0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3a1y h ALA 228 Cb 0.31 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3a1y h ALA 228 CO 0.04 0.45 -0.08 0.28 0.00 0.00 0.00 179.25 179.94 3a1y h VAL 229 N 1.15 1.31 -0.04 0.00 2.07 -1.22 0.17 116.25 119.70 3a1y h VAL 229 Ca 0.38 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 3a1y h VAL 229 Cb 0.05 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3a1y h VAL 229 CO -0.14 0.33 -0.27 0.78 0.02 0.00 0.00 177.57 178.30 3a1y h ASN 230 N 0.03 0.06 0.01 0.57 4.21 -0.87 -1.84 115.58 117.75 3a1y h ASN 230 Ca 0.04 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 3a1y h ASN 230 Cb 0.55 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 3a1y h ASN 230 CO 0.02 0.33 -0.16 2.30 -1.29 0.00 0.00 177.43 178.64 3a1y n ILE 231 N -4.20 0.00 -3.45 2.81 -5.35 -0.55 -4.97 119.36 103.65 3a1y n ILE 231 Ca -0.02 -0.33 -0.20 0.00 -0.27 0.00 0.00 62.75 61.93 3a1y n ILE 231 Cb 0.33 1.07 0.07 0.00 -1.74 0.00 0.00 39.64 39.38 3a1y n ILE 231 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a1y n ALA 232 N 0.47 -1.34 -2.60 -1.28 0.00 -0.32 -4.98 120.51 110.47 3a1y n ALA 232 Ca 0.14 0.27 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 3a1y n ALA 232 Cb 0.48 -4.39 -0.03 0.00 0.00 0.00 0.00 19.45 15.51 3a1y n ALA 232 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3a1y s TYR 233 N -3.30 2.74 -0.11 0.00 5.04 0.45 -5.01 117.35 117.17 3a1y s TYR 233 Ca 0.41 0.39 -0.21 0.00 -2.44 0.00 0.00 57.07 55.22 3a1y s TYR 233 Cb -0.18 -4.32 -0.04 0.00 0.35 0.00 0.00 41.96 37.78 3a1y s TYR 233 CO 0.66 -1.39 0.60 -1.25 -1.34 0.00 0.00 175.55 172.83 3a1y s PRO 234 N 4.43 4.36 0.14 4.97 0.04 -1.26 -4.64 135.00 143.03 3a1y s PRO 234 Ca 0.40 0.66 -0.06 0.00 0.04 0.00 0.00 61.00 62.05 3a1y s PRO 234 Cb -0.09 -3.47 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 3a1y s PRO 234 CO 0.26 0.05 0.18 0.95 0.04 0.00 0.00 177.00 178.47 3a1y s THR 235 N 0.93 0.09 0.45 1.26 -4.23 -1.26 -4.93 115.64 107.95 3a1y s THR 235 Ca 0.31 -1.57 0.21 0.00 -1.18 0.00 0.00 61.69 59.46 3a1y s THR 235 Cb -0.16 -1.84 0.40 0.00 1.34 0.00 0.00 72.50 72.23 3a1y s THR 235 CO 0.14 -0.43 1.89 -0.65 -0.54 0.00 0.00 174.62 175.03 3a1y h PRO 236 N 2.71 0.28 0.00 3.99 0.11 -2.01 0.38 132.00 137.45 3a1y h PRO 236 Ca -0.33 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.67 3a1y h PRO 236 Cb 1.21 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3a1y h PRO 236 CO 0.54 0.18 -0.44 0.93 -0.21 0.00 0.00 178.00 179.00 3a1y h GLU 237 N 0.29 0.00 0.00 1.05 3.07 -1.98 -3.37 114.58 113.64 3a1y h GLU 237 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 3a1y h GLU 237 Cb 1.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 3a1y h GLU 237 CO -0.11 0.44 -0.86 0.25 -1.40 0.00 0.00 179.01 177.33 3a1y n THR 238 N -3.91 0.00 -0.33 1.13 -2.24 -0.55 -4.79 114.28 103.59 3a1y n THR 238 Ca -0.01 -0.20 -0.04 0.00 -2.27 0.00 0.00 64.05 61.53 3a1y n THR 238 Cb 0.48 0.60 0.09 0.00 -2.10 0.00 0.00 70.33 69.40 3a1y n THR 238 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3a1y h ILE 239 N 0.00 1.24 -0.41 2.28 6.09 -1.14 -0.55 117.51 125.02 3a1y h ILE 239 Ca 0.00 -0.49 -0.14 0.00 -1.37 0.00 0.00 64.86 62.85 3a1y h ILE 239 Cb 0.16 -0.02 -0.01 0.00 0.47 0.00 0.00 36.82 37.43 3a1y h ILE 239 CO 0.00 0.24 -0.32 -0.33 -3.07 0.00 0.00 178.15 174.68 3a1y h GLU 240 N 1.20 0.92 -0.17 2.19 5.08 -1.85 -1.76 114.58 120.20 3a1y h GLU 240 Ca 0.32 -0.44 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 3a1y h GLU 240 Cb -0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3a1y h GLU 240 CO -0.06 1.10 -0.25 0.00 -1.00 0.00 0.00 179.01 178.79 3a1y h ALA 241 N 0.86 1.27 -0.21 3.43 0.00 -1.78 -1.61 119.26 121.22 3a1y h ALA 241 Ca 0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3a1y h ALA 241 Cb 0.89 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3a1y h ALA 241 CO 0.08 0.49 0.00 0.82 0.00 0.00 0.00 179.25 180.64 3a1y h ILE 242 N 0.27 1.25 -0.09 0.00 2.04 -0.81 -0.18 117.51 119.99 3a1y h ILE 242 Ca 0.04 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3a1y h ILE 242 Cb 0.59 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3a1y h ILE 242 CO 0.04 0.27 0.05 0.40 0.00 0.00 0.00 178.15 178.91 3a1y h ILE 243 N 0.14 1.01 -0.79 -0.67 2.04 -1.15 -1.44 117.51 116.65 3a1y h ILE 243 Ca 0.06 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 3a1y h ILE 243 Cb 0.39 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3a1y h ILE 243 CO 0.01 0.02 0.31 1.56 0.00 0.00 0.00 178.15 180.05 3a1y h GLN 244 N 0.11 1.18 0.15 2.37 4.20 -1.28 -0.99 115.11 120.86 3a1y h GLN 244 Ca 0.04 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 3a1y h GLN 244 Cb -0.00 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.59 3a1y h GLN 244 CO -0.02 0.96 -0.07 -0.22 -0.67 0.00 0.00 178.83 178.81 3a1y h LYS 245 N 1.15 -0.20 -0.62 1.46 3.64 -0.84 0.56 116.57 121.72 3a1y h LYS 245 Ca 0.26 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.74 3a1y h LYS 245 Cb 0.22 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.02 3a1y h LYS 245 CO -0.02 0.05 0.28 0.00 -2.27 0.00 0.00 179.45 177.49 3a1y h ALA 246 N 0.37 0.82 -0.15 5.00 0.00 -1.16 0.14 119.26 124.29 3a1y h ALA 246 Ca -0.02 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3a1y h ALA 246 Cb 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3a1y h ALA 246 CO 0.03 -0.12 0.09 0.35 0.00 0.00 0.00 179.25 179.61 3a1y h PHE 247 N 0.50 0.19 -0.63 0.00 3.57 -1.09 -1.65 116.94 117.83 3a1y h PHE 247 Ca 0.30 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.76 3a1y h PHE 247 Cb 0.32 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 3a1y h PHE 247 CO -0.13 0.16 0.20 1.25 -2.23 0.00 0.00 178.31 177.56 3a1y h LEU 248 N 0.17 0.88 -0.04 0.59 7.12 -0.39 0.19 115.31 123.83 3a1y h LEU 248 Ca 0.05 -0.15 0.02 0.00 0.13 0.00 0.00 57.88 57.94 3a1y h LEU 248 Cb 0.02 -0.23 -0.03 0.00 -0.53 0.00 0.00 40.66 39.89 3a1y h LEU 248 CO -0.01 0.82 -0.09 0.78 -0.13 0.00 0.00 178.44 179.81 3a1y h ASN 249 N 0.92 -0.27 -0.33 1.25 2.35 -0.63 0.13 115.58 118.99 3a1y h ASN 249 Ca 0.21 0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.96 3a1y h ASN 249 Cb 0.26 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3a1y h ASN 249 CO -0.01 -0.13 0.03 0.00 -1.65 0.00 0.00 177.43 175.67 3a1y h ALA 250 N 0.88 0.45 -0.29 -0.83 0.00 -0.53 -1.54 119.26 117.40 3a1y h ALA 250 Ca 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3a1y h ALA 250 Cb 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3a1y h ALA 250 CO -0.12 0.17 0.14 -0.22 0.00 0.00 0.00 179.25 179.22 3a1y h LYS 251 N 0.39 0.41 -0.63 0.00 3.64 -0.58 -1.29 116.57 118.52 3a1y h LYS 251 Ca 0.10 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3a1y h LYS 251 Cb 0.40 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3a1y h LYS 251 CO 0.01 0.38 0.30 1.15 -2.27 0.00 0.00 179.45 179.03 3a1y h THR 252 N 0.34 1.22 -0.43 1.00 2.02 -0.66 -0.82 112.91 115.58 3a1y h THR 252 Ca 0.10 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 3a1y h THR 252 Cb 0.10 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 3a1y h THR 252 CO -0.01 0.25 0.17 0.58 0.37 0.00 0.00 175.52 176.87 3a1y h VAL 253 N 0.86 1.20 -0.62 3.16 2.07 -1.20 -2.05 116.25 119.67 3a1y h VAL 253 Ca 0.21 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 3a1y h VAL 253 Cb 0.12 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3a1y h VAL 253 CO -0.03 0.23 0.22 0.00 0.02 0.00 0.00 177.57 178.01 3a1y h ALA 254 N 1.01 0.81 -0.35 1.67 0.00 -0.92 -0.57 119.26 120.92 3a1y h ALA 254 Ca 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3a1y h ALA 254 Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3a1y h ALA 254 CO -0.01 0.46 0.09 0.82 0.00 0.00 0.00 179.25 180.60 3a1y h ILE 255 N 0.88 1.22 -0.74 0.00 2.04 -1.16 0.17 117.51 119.93 3a1y h ILE 255 Ca 0.20 -0.76 0.01 0.00 1.00 0.00 0.00 64.86 65.32 3a1y h ILE 255 Cb 0.25 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3a1y h ILE 255 CO -0.01 0.26 0.49 -0.08 0.00 0.00 0.00 178.15 178.81 3a1y h GLU 256 N 0.42 0.95 -0.00 2.37 4.57 -1.19 -1.31 114.58 120.39 3a1y h GLU 256 Ca 0.11 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3a1y h GLU 256 Cb 0.30 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3a1y h GLU 256 CO 0.00 0.63 -0.04 0.00 -1.18 0.00 0.00 179.01 178.42 3a1y n ALA 257 N -2.42 2.62 -3.23 2.92 0.00 -0.24 -4.94 120.51 115.22 3a1y n ALA 257 Ca 0.08 -0.20 -0.19 0.00 0.00 0.00 0.00 53.44 53.13 3a1y n ALA 257 Cb 0.06 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.13 3a1y n ALA 257 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1y n GLY 258 N 1.24 -0.27 3.70 0.00 0.00 -0.49 -4.99 105.19 104.38 3a1y n GLY 258 Ca 0.16 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3a1y n GLY 258 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a1y s TYR 259 N -3.20 3.38 -0.32 1.61 5.04 0.51 -5.02 117.35 119.34 3a1y s TYR 259 Ca 0.41 0.35 -0.25 0.00 -2.44 0.00 0.00 57.07 55.14 3a1y s TYR 259 Cb -0.18 -2.27 0.01 0.00 0.35 0.00 0.00 41.96 39.87 3a1y s TYR 259 CO 0.50 0.16 0.85 0.42 -1.34 0.00 0.00 175.55 176.15 3a1y s ILE 260 N 0.75 4.71 0.18 3.14 -1.09 -1.26 -4.60 121.20 123.03 3a1y s ILE 260 Ca 0.10 1.23 0.01 0.00 -2.23 0.00 0.00 60.65 59.76 3a1y s ILE 260 Cb -0.13 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.48 3a1y s ILE 260 CO 0.02 -0.35 0.05 0.42 -1.23 0.00 0.00 174.94 173.85 3a1y s THR 261 N 3.16 0.41 0.37 2.92 -4.23 -1.26 -4.99 115.64 112.01 3a1y s THR 261 Ca 0.35 -1.97 0.11 0.00 -1.18 0.00 0.00 61.69 59.01 3a1y s THR 261 Cb -0.13 -2.25 0.34 0.00 1.34 0.00 0.00 72.50 71.79 3a1y s THR 261 CO 0.14 -0.32 1.84 0.50 -0.54 0.00 0.00 174.62 176.25 3a1y h LYS 262 N 2.67 0.59 0.00 3.99 3.64 -2.01 -0.94 116.57 124.50 3a1y h LYS 262 Ca -0.36 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3a1y h LYS 262 Cb 1.22 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3a1y h LYS 262 CO 0.60 0.39 -0.10 0.93 -2.27 0.00 0.00 179.45 179.00 3a1y h GLU 263 N 0.61 0.00 0.00 1.90 3.07 -1.97 -3.37 114.58 114.82 3a1y h GLU 263 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 3a1y h GLU 263 Cb 0.93 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.84 3a1y h GLU 263 CO -0.24 0.00 -1.21 0.25 -1.40 0.00 0.00 179.01 176.41 3a1y n THR 264 N -2.73 0.00 -0.24 1.13 -2.24 -0.89 -4.74 114.28 104.56 3a1y n THR 264 Ca 0.04 -0.19 0.09 0.00 -2.27 0.00 0.00 64.05 61.72 3a1y n THR 264 Cb 0.49 0.42 0.35 0.00 -2.10 0.00 0.00 70.33 69.49 3a1y n THR 264 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3a1y h ILE 265 N 0.00 0.94 -0.15 2.28 6.09 -1.35 -1.08 117.51 124.25 3a1y h ILE 265 Ca 0.00 -0.26 -0.08 0.00 -1.37 0.00 0.00 64.86 63.14 3a1y h ILE 265 Cb 0.32 0.10 -0.00 0.00 0.47 0.00 0.00 36.82 37.71 3a1y h ILE 265 CO 0.00 0.14 -0.23 1.56 -3.07 0.00 0.00 178.15 176.55 3a1y h GLN 266 N 0.77 0.42 -0.57 2.19 4.20 -1.85 0.14 115.11 120.41 3a1y h GLN 266 Ca 0.39 -0.25 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 3a1y h GLN 266 Cb 0.47 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 3a1y h GLN 266 CO -0.16 0.84 0.12 -0.44 -0.67 0.00 0.00 178.83 178.52 3a1y h ASP 267 N 0.03 0.85 -0.40 1.46 5.19 -1.83 -2.03 116.42 119.69 3a1y h ASP 267 Ca 0.01 -0.17 -0.03 0.00 -0.62 0.00 0.00 57.03 56.22 3a1y h ASP 267 Cb 0.81 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 3a1y h ASP 267 CO 0.05 0.84 0.14 0.40 -3.12 0.00 0.00 179.24 177.55 3a1y h ILE 268 N 0.86 1.21 -0.55 0.35 2.04 -1.01 -1.71 117.51 118.69 3a1y h ILE 268 Ca 0.18 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 3a1y h ILE 268 Cb 0.34 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3a1y h ILE 268 CO 0.00 0.24 0.23 0.16 0.00 0.00 0.00 178.15 178.78 3a1y h ILE 269 N 0.50 1.20 -0.50 -0.67 -0.00 -0.51 -1.49 117.51 116.04 3a1y h ILE 269 Ca 0.13 -0.60 0.05 0.00 -0.00 0.00 0.00 64.86 64.44 3a1y h ILE 269 Cb 0.23 0.53 -0.05 0.00 -0.00 0.00 0.00 36.82 37.54 3a1y h ILE 269 CO -0.01 0.24 0.24 1.23 -0.00 0.00 0.00 178.15 179.85 3a1y h GLY 270 N 0.91 0.70 0.91 0.16 0.00 -0.95 0.30 103.07 105.09 3a1y h GLY 270 Ca 0.19 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.38 3a1y h GLY 270 CO -0.02 0.10 0.41 3.21 0.00 0.00 0.00 176.54 180.23 3a1y h ARG 271 N 0.47 0.78 -0.35 4.80 3.08 -0.87 -1.02 114.38 121.29 3a1y h ARG 271 Ca 0.22 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 60.08 3a1y h ARG 271 Cb 0.15 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3a1y h ARG 271 CO -0.17 0.52 -0.35 0.00 -1.07 0.00 0.00 179.97 178.90 3a1y h ALA 272 N 1.26 0.72 -0.38 0.04 0.00 -0.78 -1.54 119.26 118.59 3a1y h ALA 272 Ca 0.25 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3a1y h ALA 272 Cb -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3a1y h ALA 272 CO -0.09 0.66 0.10 0.35 0.00 0.00 0.00 179.25 180.27 3a1y h PHE 273 N 0.66 0.63 -0.34 0.00 3.57 -0.28 -1.94 116.94 119.24 3a1y h PHE 273 Ca 0.06 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 3a1y h PHE 273 Cb 0.90 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 3a1y h PHE 273 CO 0.05 0.61 -0.19 0.00 -2.23 0.00 0.00 178.31 176.55 3a1y h ARG 274 N 0.46 0.63 -0.87 1.11 3.08 -1.10 -1.32 114.38 116.37 3a1y h ARG 274 Ca 0.12 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 59.95 3a1y h ARG 274 Cb 0.29 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 3a1y h ARG 274 CO 0.00 0.79 0.58 0.00 -1.07 0.00 0.00 179.97 180.26 3a1y h ALA 275 N 1.23 1.11 -0.41 0.04 0.00 -1.20 0.27 119.26 120.30 3a1y h ALA 275 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3a1y h ALA 275 Cb 0.64 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3a1y h ALA 275 CO 0.05 0.51 0.24 1.98 0.00 0.00 0.00 179.25 182.02 3a1y h MET 276 N 1.18 0.57 0.10 0.00 1.85 -0.87 0.18 114.93 117.93 3a1y h MET 276 Ca 0.32 -0.06 -0.00 0.00 -0.61 0.00 0.00 59.70 59.35 3a1y h MET 276 Cb -0.13 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 31.78 3a1y h MET 276 CO -0.07 0.44 -0.05 -0.07 -0.40 0.00 0.00 176.91 176.76 3a1y h LEU 277 N 0.54 -0.11 -0.04 3.39 4.07 -0.81 0.03 115.31 122.37 3a1y h LEU 277 Ca 0.15 -0.08 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 3a1y h LEU 277 Cb 0.03 0.03 -0.00 0.00 1.08 0.00 0.00 40.66 41.79 3a1y h LEU 277 CO -0.03 0.01 0.02 0.25 -1.08 0.00 0.00 178.44 177.62 3a1y h LEU 278 N -0.22 0.05 -0.64 1.67 5.85 -0.93 -2.76 115.31 118.33 3a1y h LEU 278 Ca -0.01 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.77 3a1y h LEU 278 Cb 0.18 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 3a1y h LEU 278 CO 0.02 0.07 0.27 0.25 -0.34 0.00 0.00 178.44 178.71 3a1y h LEU 279 N 0.02 0.30 -2.20 2.25 5.85 -0.47 -0.35 115.31 120.71 3a1y h LEU 279 Ca 0.01 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3a1y h LEU 279 Cb 0.03 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3a1y h LEU 279 CO -0.00 0.17 0.18 0.00 -0.34 0.00 0.00 178.44 178.45 3a1y h ALA 280 N 1.42 1.88 0.00 1.25 0.00 -0.83 -1.24 119.26 121.73 3a1y h ALA 280 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3a1y h ALA 280 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3a1y h ALA 280 CO -0.29 -0.28 0.00 1.04 0.00 0.00 0.00 179.25 179.72 3a1y n GLN 281 N -3.95 0.09 0.15 0.00 1.13 -0.14 -2.01 117.38 112.64 3a1y n GLN 281 Ca 0.02 0.50 0.04 0.00 -1.94 0.00 0.00 57.00 55.61 3a1y n GLN 281 Cb 0.31 -1.73 0.05 0.00 0.11 0.00 0.00 30.24 28.97 3a1y n GLN 281 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3a1y h GLN 282 N 0.00 0.00 -7.06 -1.09 1.08 -1.33 -3.45 115.11 103.26 3a1y h GLN 282 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 3a1y h GLN 282 Cb 0.10 0.00 0.11 0.00 -0.05 0.00 0.00 27.48 27.65 3a1y h GLN 282 CO 0.00 0.43 0.53 -0.51 -0.95 0.00 0.00 178.83 178.33 3a1y s LEU 283 N -6.42 3.80 0.00 1.46 1.02 -0.85 -5.20 118.68 112.49 3a1y s LEU 283 Ca 0.04 2.52 0.28 0.00 0.02 0.00 0.00 54.13 56.99 3a1y s LEU 283 Cb 0.07 -4.41 1.65 0.00 0.02 0.00 0.00 46.19 43.52 3a1y s LEU 283 CO 0.73 -1.47 2.00 -0.81 0.02 0.00 0.00 176.35 176.82