#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1doh n ASP 14 N 0.00 1.43 -4.71 7.72 10.43 -1.26 -4.97 116.55 125.19 1doh n ASP 14 Ca 0.00 -1.21 -0.42 0.00 2.57 0.00 0.00 54.79 55.73 1doh n ASP 14 Cb 0.00 0.78 -0.03 0.00 1.84 0.00 0.00 41.12 43.71 1doh n ASP 14 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1doh s ALA 15 N -2.74 3.81 0.06 2.24 0.00 -1.26 -4.95 121.76 118.92 1doh s ALA 15 Ca 0.12 1.44 -0.31 0.00 0.00 0.00 0.00 51.96 53.21 1doh s ALA 15 Cb 0.17 -3.70 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 1doh s ALA 15 CO 0.73 -1.01 1.29 0.42 0.00 0.00 0.00 175.76 177.18 1doh s ILE 16 N 1.88 3.79 -0.43 0.00 -1.09 -1.26 -4.97 121.20 119.12 1doh s ILE 16 Ca 0.75 1.26 -0.25 0.00 -2.23 0.00 0.00 60.65 60.18 1doh s ILE 16 Cb -0.46 -3.81 0.02 0.00 -1.58 0.00 0.00 42.46 36.64 1doh s ILE 16 CO 0.33 0.07 0.91 -2.16 -1.23 0.00 0.00 174.94 172.86 1doh s PRO 17 N 1.39 3.62 0.03 2.79 0.04 -1.26 -4.90 135.00 136.70 1doh s PRO 17 Ca 0.61 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1doh s PRO 17 Cb -0.31 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1doh s PRO 17 CO 0.28 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.61 1doh n GLY 18 N 4.77 -1.76 3.77 0.56 0.00 -1.26 -4.94 105.19 106.34 1doh n GLY 18 Ca 0.06 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 1doh n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1doh s PRO 19 N -1.74 3.95 0.51 1.61 0.04 -1.26 -5.05 135.00 133.06 1doh s PRO 19 Ca 0.00 1.71 -0.14 0.00 0.04 0.00 0.00 61.00 62.61 1doh s PRO 19 Cb 0.00 -2.51 -0.07 0.00 0.04 0.00 0.00 34.50 31.97 1doh s PRO 19 CO 0.00 -0.38 0.95 -0.51 0.04 0.00 0.00 177.00 177.10 1doh s LEU 20 N -2.79 3.59 0.00 -3.56 1.43 -1.26 -4.32 118.68 111.76 1doh s LEU 20 Ca 0.60 1.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.15 1doh s LEU 20 Cb -0.27 -4.40 0.00 0.00 0.03 0.00 0.00 46.19 41.55 1doh s LEU 20 CO 0.33 -0.61 0.00 0.61 0.23 0.00 0.00 176.35 176.92 1doh n GLY 21 N -1.77 -2.82 0.37 -3.19 0.00 -1.26 -4.50 105.19 92.01 1doh n GLY 21 Ca 0.06 -1.76 0.19 0.00 0.00 0.00 0.00 46.02 44.50 1doh n GLY 21 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1doh h PRO 22 N 0.00 0.00 0.00 1.61 0.11 -2.04 -2.56 132.00 129.12 1doh h PRO 22 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1doh h PRO 22 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1doh h PRO 22 CO 0.00 0.00 -0.07 1.96 -0.21 0.00 0.00 178.00 179.68 1doh h GLN 23 N 0.00 0.00 0.00 1.05 1.08 -1.89 -2.68 115.11 112.66 1doh h GLN 23 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1doh h GLN 23 Cb 0.91 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 1doh h GLN 23 CO -0.00 0.07 0.00 1.03 -0.95 0.00 0.00 178.83 178.98 1doh h SER 24 N 0.00 0.00 0.22 1.46 0.87 -1.64 -1.52 113.55 112.94 1doh h SER 24 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1doh h SER 24 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1doh h SER 24 CO 0.01 0.00 -0.66 0.00 -0.53 0.00 0.00 176.83 175.65 1doh n ALA 25 N -1.89 3.97 -1.83 6.23 0.00 -1.01 -2.34 120.51 123.64 1doh n ALA 25 Ca -0.01 -0.48 -0.41 0.00 0.00 0.00 0.00 53.44 52.54 1doh n ALA 25 Cb 0.12 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 1doh n ALA 25 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1doh s SER 26 N -2.89 6.77 -0.16 0.00 0.15 -0.57 -4.85 113.70 112.16 1doh s SER 26 Ca 0.12 2.63 0.18 0.00 0.70 0.00 0.00 55.95 59.58 1doh s SER 26 Cb 0.17 -2.64 0.39 0.00 -1.71 0.00 0.00 66.02 62.24 1doh s SER 26 CO 0.73 -0.56 1.26 0.18 1.20 0.00 0.00 173.24 176.05 1doh n LEU 27 N 1.41 2.99 -4.69 3.45 4.77 -1.22 -4.73 117.00 118.99 1doh n LEU 27 Ca 0.02 -3.12 -0.42 0.00 -0.03 0.00 0.00 56.01 52.47 1doh n LEU 27 Cb 0.42 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1doh n LEU 27 CO 0.59 0.74 1.47 -0.70 -1.33 0.00 0.00 177.39 178.16 1doh s GLU 28 N -2.89 4.13 -0.07 3.23 2.56 -1.15 -2.42 118.70 122.09 1doh s GLU 28 Ca 0.36 2.61 0.00 0.00 0.00 0.00 0.00 54.97 57.94 1doh s GLU 28 Cb 0.31 -3.53 0.00 0.00 2.00 0.00 0.00 34.13 32.91 1doh s GLU 28 CO 0.05 -0.84 0.00 0.41 -0.56 0.00 0.00 175.26 174.32 1doh n GLY 29 N 4.22 0.44 3.90 -1.50 0.00 -0.55 -4.98 105.19 106.71 1doh n GLY 29 Ca 0.18 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1doh n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1doh s LYS 30 N -0.72 3.59 -0.18 1.61 -0.14 -1.02 -4.92 119.74 117.97 1doh s LYS 30 Ca 0.00 0.17 0.01 0.00 -1.36 0.00 0.00 55.97 54.79 1doh s LYS 30 Cb 0.00 -2.44 0.02 0.00 -1.68 0.00 0.00 37.83 33.72 1doh s LYS 30 CO 0.00 -0.08 -0.20 0.08 -0.76 0.00 0.00 175.35 174.39 1doh s VAL 31 N -2.54 2.08 0.08 3.17 1.01 -1.26 -0.90 120.40 122.04 1doh s VAL 31 Ca 0.47 -0.93 0.10 0.00 0.00 0.00 0.00 61.98 61.61 1doh s VAL 31 Cb -0.10 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1doh s VAL 31 CO 0.39 0.54 -0.26 0.00 0.00 0.00 0.00 175.10 175.77 1doh s ALA 32 N 1.27 2.28 -0.08 5.51 0.00 -0.31 -0.52 121.76 129.91 1doh s ALA 32 Ca 0.04 -1.35 0.04 0.00 0.00 0.00 0.00 51.96 50.70 1doh s ALA 32 Cb -0.13 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 1doh s ALA 32 CO -0.12 0.53 -0.22 -1.17 0.00 0.00 0.00 175.76 174.77 1doh s LEU 33 N -1.61 2.02 -0.11 0.00 0.20 -0.17 -0.50 118.68 118.50 1doh s LEU 33 Ca 0.12 -0.50 0.01 0.00 0.69 0.00 0.00 54.13 54.46 1doh s LEU 33 Cb -0.10 -1.30 0.02 0.00 -0.43 0.00 0.00 46.19 44.38 1doh s LEU 33 CO 0.04 0.17 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.44 1doh s VAL 34 N 0.20 1.40 0.12 1.68 1.01 -0.98 -0.54 120.40 123.30 1doh s VAL 34 Ca -0.13 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 1doh s VAL 34 Cb -0.16 -1.30 -0.07 0.00 0.00 0.00 0.00 36.38 34.85 1doh s VAL 34 CO 0.06 0.42 0.70 0.42 0.00 0.00 0.00 175.10 176.71 1doh s THR 35 N 1.09 4.52 -0.90 3.92 -4.23 -0.61 -2.25 115.64 117.19 1doh s THR 35 Ca -0.05 1.53 -0.05 0.00 -1.18 0.00 0.00 61.69 61.94 1doh s THR 35 Cb -0.14 -4.05 0.01 0.00 1.34 0.00 0.00 72.50 69.65 1doh s THR 35 CO -0.03 0.52 0.67 0.61 -0.54 0.00 0.00 174.62 175.85 1doh n GLY 36 N 1.70 -0.02 0.30 3.99 0.00 -1.12 -2.56 105.19 107.48 1doh n GLY 36 Ca -0.07 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 45.91 1doh n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1doh n ALA 37 N -3.82 2.53 0.50 4.61 0.00 -0.55 -3.99 120.51 119.80 1doh n ALA 37 Ca -0.01 -0.32 0.12 0.00 0.00 0.00 0.00 53.44 53.23 1doh n ALA 37 Cb 0.55 -1.11 0.23 0.00 0.00 0.00 0.00 19.45 19.12 1doh n ALA 37 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1doh h GLY 38 N 5.37 0.00 -1.82 0.00 0.00 -1.88 -3.22 103.07 101.52 1doh h GLY 38 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 1doh h GLY 38 CO 0.00 0.00 -0.26 0.50 0.00 0.00 0.00 176.54 176.78 1doh s ARG 39 N -3.17 1.82 0.20 4.80 0.52 -1.26 -4.44 118.95 117.42 1doh s ARG 39 Ca 0.07 -1.77 0.00 0.00 -0.52 0.00 0.00 55.73 53.51 1doh s ARG 39 Cb 0.12 0.42 0.00 0.00 0.52 0.00 0.00 34.95 36.00 1doh s ARG 39 CO 0.68 -0.74 0.00 0.41 0.02 0.00 0.00 175.30 175.68 1doh n GLY 40 N -0.55 1.11 0.33 -3.53 0.00 -1.26 -1.49 105.19 99.81 1doh n GLY 40 Ca 0.02 -0.41 0.05 0.00 0.00 0.00 0.00 46.02 45.68 1doh n GLY 40 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1doh h ILE 41 N 0.00 0.88 -0.91 -0.61 2.04 -1.93 -1.45 117.51 115.53 1doh h ILE 41 Ca 0.00 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1doh h ILE 41 Cb 0.00 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 35.99 1doh h ILE 41 CO 0.00 0.15 0.59 1.23 0.00 0.00 0.00 178.15 180.13 1doh h GLY 42 N 0.85 1.29 0.97 5.37 0.00 -1.71 -0.34 103.07 109.50 1doh h GLY 42 Ca 0.45 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1doh h GLY 42 CO -0.27 0.48 0.22 -0.09 0.00 0.00 0.00 176.54 176.88 1doh h ARG 43 N 1.24 0.54 -0.06 4.80 2.43 -0.17 -1.94 114.38 121.22 1doh h ARG 43 Ca 0.33 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.35 1doh h ARG 43 Cb -0.12 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1doh h ARG 43 CO -0.07 0.43 -0.40 1.49 -1.51 0.00 0.00 179.97 179.92 1doh h GLU 44 N 0.50 0.13 0.13 0.20 4.57 -1.10 -1.06 114.58 117.94 1doh h GLU 44 Ca 0.14 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1doh h GLU 44 Cb 0.05 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1doh h GLU 44 CO -0.02 0.51 -0.06 0.52 -1.18 0.00 0.00 179.01 178.77 1doh h MET 45 N 0.11 -0.17 -0.39 1.92 2.86 -0.75 -1.29 114.93 117.22 1doh h MET 45 Ca 0.01 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1doh h MET 45 Cb 0.75 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1doh h MET 45 CO 0.06 -0.04 0.25 0.00 1.06 0.00 0.00 176.91 178.24 1doh h ALA 46 N 0.59 0.49 0.42 6.32 0.00 -1.04 -0.52 119.26 125.52 1doh h ALA 46 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1doh h ALA 46 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1doh h ALA 46 CO 0.03 -0.06 -0.31 0.52 0.00 0.00 0.00 179.25 179.43 1doh h MET 47 N 0.52 -0.69 -0.86 0.00 2.07 -1.14 -0.85 114.93 113.98 1doh h MET 47 Ca 0.14 0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.82 1doh h MET 47 Cb -0.06 0.16 -0.04 0.00 -1.87 0.00 0.00 31.60 29.79 1doh h MET 47 CO -0.03 -0.46 0.55 1.49 1.07 0.00 0.00 176.91 179.52 1doh h GLU 48 N -0.72 1.14 -0.47 1.72 4.57 -1.17 -0.56 114.58 119.10 1doh h GLU 48 Ca -0.04 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.03 1doh h GLU 48 Cb 0.62 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1doh h GLU 48 CO 0.00 0.77 0.14 -0.07 -1.18 0.00 0.00 179.01 178.68 1doh h LEU 49 N 1.17 0.62 -0.39 1.64 3.38 -0.99 -2.09 115.31 118.65 1doh h LEU 49 Ca 0.31 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 1doh h LEU 49 Cb -0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1doh h LEU 49 CO -0.06 0.60 -0.16 1.23 0.09 0.00 0.00 178.44 180.13 1doh h GLY 50 N 0.86 0.86 2.00 0.83 0.00 -0.06 -1.07 103.07 106.49 1doh h GLY 50 Ca 0.16 -0.76 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 1doh h GLY 50 CO -0.01 0.69 -0.10 3.21 0.00 0.00 0.00 176.54 180.33 1doh h ARG 51 N 0.59 0.00 -0.34 4.80 3.08 -0.69 -1.65 114.38 120.17 1doh h ARG 51 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1doh h ARG 51 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1doh h ARG 51 CO 0.05 0.10 0.00 0.54 -1.07 0.00 0.00 179.97 179.60 1doh n ARG 52 N -4.28 1.80 0.00 0.04 5.12 -0.83 -4.91 116.66 113.60 1doh n ARG 52 Ca -0.03 -1.24 0.00 0.00 -1.93 0.00 0.00 57.85 54.66 1doh n ARG 52 Cb 0.18 -1.28 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 1doh n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1doh n GLY 53 N 1.06 1.04 3.85 -0.13 0.00 -0.62 -2.95 105.19 107.43 1doh n GLY 53 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1doh n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1doh s LYS 55 N -1.85 4.35 -0.09 0.00 1.02 -0.08 -4.27 119.74 118.81 1doh s LYS 55 Ca 0.35 0.81 0.01 0.00 0.02 0.00 0.00 55.97 57.16 1doh s LYS 55 Cb -0.15 -3.50 -0.02 0.00 -0.52 0.00 0.00 37.83 33.64 1doh s LYS 55 CO 0.18 -0.08 -0.13 0.08 -0.92 0.00 0.00 175.35 174.49 1doh s VAL 56 N 1.31 3.15 -0.38 3.17 1.01 -0.85 -1.16 120.40 126.65 1doh s VAL 56 Ca 0.35 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 1doh s VAL 56 Cb -0.17 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 33.97 1doh s VAL 56 CO 0.15 0.55 0.21 -0.63 0.00 0.00 0.00 175.10 175.38 1doh s ILE 57 N -0.16 4.41 -0.60 2.22 1.01 0.34 -1.66 121.20 126.76 1doh s ILE 57 Ca -0.00 -1.01 -0.23 0.00 0.00 0.00 0.00 60.65 59.41 1doh s ILE 57 Cb -0.13 -3.52 0.06 0.00 0.01 0.00 0.00 42.46 38.87 1doh s ILE 57 CO 0.03 -0.29 0.93 -0.69 0.00 0.00 0.00 174.94 174.92 1doh s VAL 58 N 1.51 4.39 0.32 2.92 1.01 0.10 -2.31 120.40 128.34 1doh s VAL 58 Ca 0.02 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 1doh s VAL 58 Cb -0.20 -4.60 -0.09 0.00 0.00 0.00 0.00 36.38 31.50 1doh s VAL 58 CO 0.05 -1.27 0.73 0.21 0.00 0.00 0.00 175.10 174.82 1doh s ASN 59 N 3.26 6.76 0.16 3.32 3.84 -0.95 -1.42 114.94 129.90 1doh s ASN 59 Ca 0.25 1.26 -0.16 0.00 0.21 0.00 0.00 52.86 54.42 1doh s ASN 59 Cb -0.15 -2.37 0.03 0.00 -0.55 0.00 0.00 41.25 38.21 1doh s ASN 59 CO 0.14 -0.20 0.44 -0.72 -2.79 0.00 0.00 177.10 173.97 1doh s TYR 60 N -1.98 -0.13 -0.06 0.43 1.13 -0.95 -1.48 117.35 114.31 1doh s TYR 60 Ca 0.54 -0.20 -0.02 0.00 -1.41 0.00 0.00 57.07 55.98 1doh s TYR 60 Cb -0.10 0.29 -0.03 0.00 -1.10 0.00 0.00 41.96 41.02 1doh s TYR 60 CO 0.18 -0.79 -0.07 0.00 -2.51 0.00 0.00 175.55 172.36 1doh n ALA 61 N -0.27 2.35 -0.01 9.51 0.00 -1.26 -1.32 120.51 129.51 1doh n ALA 61 Ca -0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 53.44 53.04 1doh n ALA 61 Cb 0.63 0.41 -0.01 0.00 0.00 0.00 0.00 19.45 20.47 1doh n ALA 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1doh n ASN 62 N -3.04 0.89 -4.40 0.00 4.13 -1.26 -4.80 115.26 106.78 1doh n ASN 62 Ca -0.11 0.13 -0.20 0.00 1.68 0.00 0.00 54.58 56.09 1doh n ASN 62 Cb 0.59 -0.31 -0.12 0.00 -1.54 0.00 0.00 39.78 38.40 1doh n ASN 62 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1doh n SER 63 N -3.51 1.35 -0.05 6.41 7.64 -1.26 -4.76 113.62 119.43 1doh n SER 63 Ca -0.08 -2.50 -0.14 0.00 1.01 0.00 0.00 58.87 57.16 1doh n SER 63 Cb 0.34 -1.54 -0.07 0.00 -1.01 0.00 0.00 64.21 61.93 1doh n SER 63 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1doh h THR 64 N 6.40 1.36 -0.33 0.44 2.02 -1.97 -2.47 112.91 118.35 1doh h THR 64 Ca 0.05 -1.52 -0.10 0.00 0.77 0.00 0.00 66.41 65.62 1doh h THR 64 Cb 0.95 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 69.31 1doh h THR 64 CO 1.18 0.45 -0.17 -0.08 0.37 0.00 0.00 175.52 177.28 1doh h GLU 65 N 0.09 0.69 -0.91 6.66 4.81 -2.00 -2.40 114.58 121.53 1doh h GLU 65 Ca 0.01 -0.31 0.03 0.00 -0.13 0.00 0.00 59.36 58.97 1doh h GLU 65 Cb 0.86 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.17 1doh h GLU 65 CO 0.06 0.91 0.59 0.77 -0.73 0.00 0.00 179.01 180.60 1doh h SER 66 N 0.46 0.98 -0.16 1.04 0.02 -1.87 -1.14 113.55 112.88 1doh h SER 66 Ca 0.07 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1doh h SER 66 Cb 0.70 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1doh h SER 66 CO 0.05 0.67 0.09 0.00 -1.14 0.00 0.00 176.83 176.50 1doh h ALA 67 N 1.37 0.20 0.00 3.77 0.00 -1.35 -0.51 119.26 122.74 1doh h ALA 67 Ca 0.36 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1doh h ALA 67 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1doh h ALA 67 CO -0.12 -0.28 -0.14 0.93 0.00 0.00 0.00 179.25 179.64 1doh h GLU 68 N 0.17 0.00 -0.25 0.00 4.39 -0.91 -1.69 114.58 116.29 1doh h GLU 68 Ca 0.06 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.58 1doh h GLU 68 Cb 0.04 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1doh h GLU 68 CO -0.01 0.14 -0.56 0.93 -1.16 0.00 0.00 179.01 178.35 1doh h GLU 69 N 0.00 0.78 -0.47 2.33 5.08 -0.52 -2.33 114.58 119.45 1doh h GLU 69 Ca -0.00 -0.50 -0.13 0.00 -1.00 0.00 0.00 59.36 57.73 1doh h GLU 69 Cb 0.27 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1doh h GLU 69 CO 0.02 1.13 -0.20 0.28 -1.00 0.00 0.00 179.01 179.24 1doh h VAL 70 N 0.60 1.27 -0.84 3.13 2.07 -0.61 -1.85 116.25 120.02 1doh h VAL 70 Ca 0.01 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.19 1doh h VAL 70 Cb 1.15 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 1doh h VAL 70 CO 0.12 0.47 0.55 0.58 0.02 0.00 0.00 177.57 179.31 1doh h VAL 71 N 0.81 1.20 -0.25 2.57 2.07 -1.26 -1.76 116.25 119.64 1doh h VAL 71 Ca 0.11 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1doh h VAL 71 Cb 0.77 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1doh h VAL 71 CO 0.06 0.20 -0.03 0.00 0.02 0.00 0.00 177.57 177.83 1doh h ALA 72 N 1.31 0.33 -0.57 1.67 0.00 -1.26 -2.59 119.26 118.15 1doh h ALA 72 Ca 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1doh h ALA 72 Cb -0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1doh h ALA 72 CO -0.07 0.10 0.30 0.00 0.00 0.00 0.00 179.25 179.58 1doh h ALA 73 N 0.78 1.46 -0.43 0.00 0.00 -1.14 -0.32 119.26 119.62 1doh h ALA 73 Ca 0.07 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1doh h ALA 73 Cb 0.47 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1doh h ALA 73 CO 0.02 0.44 -0.30 0.82 0.00 0.00 0.00 179.25 180.23 1doh h ILE 74 N 0.79 1.27 -0.57 0.00 2.04 -1.21 -2.34 117.51 117.49 1doh h ILE 74 Ca 0.20 -1.47 -0.09 0.00 1.00 0.00 0.00 64.86 64.50 1doh h ILE 74 Cb 0.03 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1doh h ILE 74 CO -0.03 0.50 -0.00 0.11 0.00 0.00 0.00 178.15 178.73 1doh h LYS 75 N 0.81 0.99 -0.61 2.37 1.57 -1.07 -2.20 116.57 118.43 1doh h LYS 75 Ca 0.09 -0.30 0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1doh h LYS 75 Cb 0.89 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 1doh h LYS 75 CO 0.08 0.98 0.40 -0.22 -0.57 0.00 0.00 179.45 180.12 1doh h LYS 76 N 0.91 0.71 -0.00 3.15 3.64 -0.82 -1.34 116.57 122.82 1doh h LYS 76 Ca 0.17 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1doh h LYS 76 Cb 0.53 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1doh h LYS 76 CO 0.03 0.47 0.00 0.09 -2.27 0.00 0.00 179.45 177.77 1doh n ASN 77 N -4.46 0.26 0.00 4.20 3.02 -0.85 -4.91 115.26 112.52 1doh n ASN 77 Ca 0.07 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 1doh n ASN 77 Cb 0.12 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 1doh n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1doh n GLY 78 N 1.03 0.92 3.26 7.41 0.00 -0.50 -4.90 105.19 112.40 1doh n GLY 78 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1doh n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1doh s SER 79 N -1.81 2.30 0.52 1.61 0.01 -1.04 -5.03 113.70 110.26 1doh s SER 79 Ca 0.00 -0.68 -0.17 0.00 1.31 0.00 0.00 55.95 56.41 1doh s SER 79 Cb 0.00 -0.11 -0.07 0.00 0.21 0.00 0.00 66.02 66.04 1doh s SER 79 CO 0.00 0.01 1.00 -0.62 0.41 0.00 0.00 173.24 174.04 1doh s ASP 80 N -1.93 6.49 0.17 2.44 -1.08 -1.26 -2.60 116.67 118.91 1doh s ASP 80 Ca 0.05 1.63 -0.20 0.00 -0.52 0.00 0.00 52.55 53.51 1doh s ASP 80 Cb -0.10 -2.52 0.05 0.00 -1.46 0.00 0.00 42.92 38.90 1doh s ASP 80 CO 0.04 -0.68 0.54 0.00 0.52 0.00 0.00 175.17 175.59 1doh s ALA 81 N -2.55 -1.25 -0.02 3.66 0.00 -1.26 -2.01 121.76 118.32 1doh s ALA 81 Ca 0.60 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 1doh s ALA 81 Cb -0.11 0.83 0.07 0.00 0.00 0.00 0.00 23.12 23.91 1doh s ALA 81 CO 0.31 -0.77 0.64 0.00 0.00 0.00 0.00 175.76 175.94 1doh s ALA 82 N -3.81 -1.67 0.17 0.00 0.00 -0.67 -4.96 121.76 110.82 1doh s ALA 82 Ca 0.04 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.22 1doh s ALA 82 Cb -0.01 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1doh s ALA 82 CO -0.09 -0.41 0.05 0.00 0.00 0.00 0.00 175.76 175.31 1doh s VAL 84 N -1.76 -0.05 -0.04 0.00 1.01 -0.51 -4.89 120.40 114.16 1doh s VAL 84 Ca 0.29 0.18 -0.22 0.00 0.00 0.00 0.00 61.98 62.23 1doh s VAL 84 Cb -0.09 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 1doh s VAL 84 CO 0.20 0.07 0.63 -0.75 0.00 0.00 0.00 175.10 175.26 1doh s LYS 85 N 1.20 4.38 -0.29 2.72 2.20 -1.26 -2.24 119.74 126.45 1doh s LYS 85 Ca -0.09 0.77 -0.22 0.00 -0.36 0.00 0.00 55.97 56.07 1doh s LYS 85 Cb -0.11 -3.39 0.14 0.00 -1.51 0.00 0.00 37.83 32.95 1doh s LYS 85 CO -0.06 0.23 1.07 0.00 -0.36 0.00 0.00 175.35 176.22 1doh s ALA 86 N 0.28 -2.11 -0.25 3.13 0.00 -0.44 -4.85 121.76 117.52 1doh s ALA 86 Ca 0.33 1.96 -0.09 0.00 0.00 0.00 0.00 51.96 54.16 1doh s ALA 86 Cb -0.18 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 1doh s ALA 86 CO 0.17 -0.26 0.12 1.21 0.00 0.00 0.00 175.76 177.01 1doh s ASN 87 N 0.56 5.60 0.43 0.00 3.04 -1.26 -4.06 114.94 119.24 1doh s ASN 87 Ca -0.00 -0.08 0.30 0.00 0.04 0.00 0.00 52.86 53.12 1doh s ASN 87 Cb -0.05 -2.02 1.34 0.00 -1.54 0.00 0.00 41.25 38.99 1doh s ASN 87 CO -0.10 -0.01 1.89 -0.37 -3.04 0.00 0.00 177.10 175.47 1doh h VAL 88 N 5.38 0.00 0.00 -5.21 -1.51 -1.95 -2.56 116.25 110.40 1doh h VAL 88 Ca -0.37 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1doh h VAL 88 Cb 1.18 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 1doh h VAL 88 CO 0.58 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.53 1doh n GLY 89 N -0.28 -0.73 2.71 5.19 0.00 -1.26 -4.39 105.19 106.43 1doh n GLY 89 Ca 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1doh n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1doh s VAL 90 N -2.00 0.60 0.50 1.61 1.01 -0.96 -5.01 120.40 116.14 1doh s VAL 90 Ca 0.23 -0.91 0.29 0.00 0.00 0.00 0.00 61.98 61.59 1doh s VAL 90 Cb 0.10 -1.28 0.47 0.00 0.00 0.00 0.00 36.38 35.68 1doh s VAL 90 CO 0.18 -0.44 1.85 0.58 0.00 0.00 0.00 175.10 177.26 1doh h VAL 91 N 6.50 0.53 -0.14 2.92 2.07 -1.83 -0.16 116.25 126.14 1doh h VAL 91 Ca -0.16 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.21 1doh h VAL 91 Cb 1.07 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1doh h VAL 91 CO 0.40 0.02 -0.42 -0.33 0.02 0.00 0.00 177.57 177.26 1doh h GLU 92 N 0.12 0.32 -0.36 1.57 3.07 -1.95 -1.00 114.58 116.34 1doh h GLU 92 Ca 0.49 -0.16 -0.14 0.00 -0.50 0.00 0.00 59.36 59.04 1doh h GLU 92 Cb 1.72 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.63 1doh h GLU 92 CO -0.07 0.69 -0.35 -0.44 -1.40 0.00 0.00 179.01 177.44 1doh h ASP 93 N 0.27 0.87 -0.54 1.42 3.45 -1.28 -2.12 116.42 118.49 1doh h ASP 93 Ca 0.02 -0.38 -0.12 0.00 0.43 0.00 0.00 57.03 56.99 1doh h ASP 93 Cb 0.86 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.37 1doh h ASP 93 CO 0.07 1.13 -0.13 0.40 -1.57 0.00 0.00 179.24 179.14 1doh h ILE 94 N 0.69 1.27 -0.42 0.35 2.04 -1.32 -0.09 117.51 120.03 1doh h ILE 94 Ca 0.07 -1.29 -0.04 0.00 1.00 0.00 0.00 64.86 64.60 1doh h ILE 94 Cb 0.91 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1doh h ILE 94 CO 0.08 0.46 0.11 0.58 0.00 0.00 0.00 178.15 179.38 1doh h VAL 95 N 0.92 1.23 -0.03 1.67 2.07 -1.01 -2.90 116.25 118.19 1doh h VAL 95 Ca 0.14 -0.78 -0.21 0.00 0.82 0.00 0.00 66.70 66.67 1doh h VAL 95 Cb 0.70 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1doh h VAL 95 CO 0.05 0.27 -0.86 0.08 0.02 0.00 0.00 177.57 177.14 1doh h ARG 96 N 0.54 0.39 -0.82 1.57 0.11 -1.33 -2.95 114.38 111.88 1doh h ARG 96 Ca 0.13 -0.38 0.11 0.00 0.10 0.00 0.00 59.98 59.94 1doh h ARG 96 Cb 0.30 0.10 -0.08 0.00 1.11 0.00 0.00 29.97 31.40 1doh h ARG 96 CO -0.00 1.04 0.45 1.98 0.10 0.00 0.00 179.97 183.54 1doh h MET 97 N 0.24 0.70 -0.01 0.08 4.05 -0.94 0.11 114.93 119.15 1doh h MET 97 Ca -0.06 -0.04 -0.12 0.00 -0.28 0.00 0.00 59.70 59.20 1doh h MET 97 Cb 1.47 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 32.10 1doh h MET 97 CO 0.15 0.46 -0.58 0.74 0.23 0.00 0.00 176.91 177.91 1doh h PHE 98 N 0.72 0.04 -0.02 1.39 0.04 -1.51 -0.30 116.94 117.31 1doh h PHE 98 Ca 0.42 -0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.99 1doh h PHE 98 Cb 0.46 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 1doh h PHE 98 CO -0.07 0.60 -0.79 0.93 -0.60 0.00 0.00 178.31 178.37 1doh h GLU 99 N 0.03 0.19 -0.01 1.51 5.08 -1.01 -2.80 114.58 117.56 1doh h GLU 99 Ca -0.01 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1doh h GLU 99 Cb 1.03 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1doh h GLU 99 CO 0.08 0.88 -0.02 0.93 -1.00 0.00 0.00 179.01 179.88 1doh h GLU 100 N 0.11 0.02 -0.64 2.33 5.08 -0.69 -3.28 114.58 117.51 1doh h GLU 100 Ca -0.03 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.45 1doh h GLU 100 Cb 1.39 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.52 1doh h GLU 100 CO 0.12 0.60 -0.10 0.00 -1.00 0.00 0.00 179.01 178.63 1doh h ALA 101 N 0.42 0.50 0.00 3.43 0.00 -1.04 0.15 119.26 122.72 1doh h ALA 101 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1doh h ALA 101 Cb 0.60 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1doh h ALA 101 CO 0.00 -0.42 0.00 -0.39 0.00 0.00 0.00 179.25 178.44 1doh h VAL 102 N 0.03 0.00 0.00 0.00 -1.51 -1.60 -2.26 116.25 110.92 1doh h VAL 102 Ca 0.32 -0.41 -0.20 0.00 -1.23 0.00 0.00 66.70 65.18 1doh h VAL 102 Cb 0.51 1.36 -0.03 0.00 -2.13 0.00 0.00 31.29 31.00 1doh h VAL 102 CO -0.63 0.00 -0.96 0.11 -1.23 0.00 0.00 177.57 174.86 1doh h LYS 103 N 0.00 0.00 0.36 5.19 1.57 -0.77 -0.45 116.57 122.47 1doh h LYS 103 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1doh h LYS 103 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1doh h LYS 103 CO 0.00 0.96 -0.17 0.82 -0.57 0.00 0.00 179.45 180.49 1doh h ILE 104 N 0.00 0.64 -0.01 1.86 2.04 -0.86 -3.37 117.51 117.82 1doh h ILE 104 Ca -0.01 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1doh h ILE 104 Cb 1.71 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1doh h ILE 104 CO 0.13 0.08 -0.05 0.49 0.00 0.00 0.00 178.15 178.79 1doh n PHE 105 N -5.20 0.00 -0.11 1.37 3.72 -1.22 -5.02 117.46 110.99 1doh n PHE 105 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1doh n PHE 105 Cb 0.26 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 1doh n PHE 105 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1doh n GLY 106 N 0.48 1.26 3.78 1.37 0.00 -0.18 -4.99 105.19 106.91 1doh n GLY 106 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1doh n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1doh s LYS 107 N -0.53 0.83 -0.10 1.61 -2.85 -1.24 -4.95 119.74 112.51 1doh s LYS 107 Ca 0.00 -0.49 -0.04 0.00 -1.00 0.00 0.00 55.97 54.44 1doh s LYS 107 Cb 0.00 0.26 0.05 0.00 -2.06 0.00 0.00 37.83 36.08 1doh s LYS 107 CO 0.00 -0.38 0.17 -1.17 0.10 0.00 0.00 175.35 174.06 1doh s LEU 108 N -3.21 -0.07 -0.20 2.77 2.96 -1.26 -4.78 118.68 114.90 1doh s LEU 108 Ca 0.18 0.22 0.11 0.00 -0.22 0.00 0.00 54.13 54.42 1doh s LEU 108 Cb 0.01 0.28 -0.20 0.00 0.50 0.00 0.00 46.19 46.78 1doh s LEU 108 CO 0.00 -0.26 -0.04 0.47 -1.32 0.00 0.00 176.35 175.20 1doh n ASP 109 N 5.32 1.18 -3.95 3.68 8.00 0.32 -1.43 116.55 129.68 1doh n ASP 109 Ca -0.05 -0.05 -0.17 0.00 0.71 0.00 0.00 54.79 55.23 1doh n ASP 109 Cb 0.50 0.44 -0.15 0.00 -0.02 0.00 0.00 41.12 41.89 1doh n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1doh s ILE 110 N -2.45 0.46 -0.09 0.53 1.01 -0.78 -1.87 121.20 118.01 1doh s ILE 110 Ca -0.18 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.27 1doh s ILE 110 Cb 0.06 -0.41 0.02 0.00 0.01 0.00 0.00 42.46 42.14 1doh s ILE 110 CO 0.66 0.15 -0.09 -0.69 0.00 0.00 0.00 174.94 174.97 1doh s VAL 111 N 0.10 1.01 -0.34 2.92 1.01 -0.78 -1.00 120.40 123.32 1doh s VAL 111 Ca -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1doh s VAL 111 Cb -0.05 -0.98 0.07 0.00 0.00 0.00 0.00 36.38 35.42 1doh s VAL 111 CO -0.00 0.35 0.08 0.00 0.00 0.00 0.00 175.10 175.52 1doh s SER 113 N 1.43 6.28 -0.10 0.00 0.15 -0.65 -1.57 113.70 119.24 1doh s SER 113 Ca 0.00 -0.95 0.06 0.00 0.70 0.00 0.00 55.95 55.76 1doh s SER 113 Cb -0.21 -2.51 -0.10 0.00 -1.71 0.00 0.00 66.02 61.49 1doh s SER 113 CO -0.02 -1.60 -0.01 -3.20 1.20 0.00 0.00 173.24 169.61 1doh n ASN 114 N 8.59 2.90 -4.51 5.45 5.15 -1.24 -2.21 115.26 129.39 1doh n ASN 114 Ca 0.10 -0.02 -0.48 0.00 -0.60 0.00 0.00 54.58 53.58 1doh n ASN 114 Cb 0.49 0.42 -0.03 0.00 -0.53 0.00 0.00 39.78 40.12 1doh n ASN 114 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1doh n SER 115 N -2.50 0.27 -3.57 1.20 7.64 -1.06 -4.93 113.62 110.67 1doh n SER 115 Ca -0.16 1.15 -0.06 0.00 1.01 0.00 0.00 58.87 60.81 1doh n SER 115 Cb 0.77 -1.12 -0.02 0.00 -1.01 0.00 0.00 64.21 62.83 1doh n SER 115 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1doh s GLY 116 N -0.55 -0.32 0.18 0.23 0.00 -1.26 -4.72 107.32 100.88 1doh s GLY 116 Ca 0.67 1.52 0.07 0.00 0.00 0.00 0.00 44.72 46.98 1doh s GLY 116 CO 0.56 0.54 -0.15 -1.34 0.00 0.00 0.00 173.10 172.71 1doh s VAL 117 N -2.47 1.66 0.33 1.40 -7.23 -1.26 -5.04 120.40 107.79 1doh s VAL 117 Ca 0.07 -2.10 0.08 0.00 -1.81 0.00 0.00 61.98 58.23 1doh s VAL 117 Cb -0.01 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 1doh s VAL 117 CO -0.06 -0.54 0.10 0.54 -0.31 0.00 0.00 175.10 174.83 1doh s VAL 118 N -2.76 2.96 -0.27 1.32 0.11 -1.26 -4.93 120.40 115.58 1doh s VAL 118 Ca 0.19 -1.77 -0.25 0.00 -2.93 0.00 0.00 61.98 57.22 1doh s VAL 118 Cb -0.02 -2.93 0.10 0.00 -1.53 0.00 0.00 36.38 32.00 1doh s VAL 118 CO 0.06 -0.20 0.89 -0.55 -3.33 0.00 0.00 175.10 171.97 1doh s SER 119 N -3.80 -0.58 -0.01 3.54 0.15 -1.26 -5.06 113.70 106.69 1doh s SER 119 Ca 0.37 1.09 0.02 0.00 0.70 0.00 0.00 55.95 58.12 1doh s SER 119 Cb -0.02 1.09 -0.00 0.00 -1.71 0.00 0.00 66.02 65.38 1doh s SER 119 CO 0.22 -0.21 -0.06 -0.36 1.20 0.00 0.00 173.24 174.03 1doh s PHE 120 N 0.20 0.52 0.00 3.44 0.40 -1.26 -4.45 117.98 116.83 1doh s PHE 120 Ca 0.01 -0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 1doh s PHE 120 Cb -0.05 -0.34 0.00 0.00 0.51 0.00 0.00 43.02 43.15 1doh s PHE 120 CO -0.03 -0.01 0.00 0.41 0.70 0.00 0.00 175.22 176.29 1doh n GLY 121 N 2.96 2.94 3.76 4.36 0.00 0.51 -5.03 105.19 114.70 1doh n GLY 121 Ca -0.13 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 1doh n GLY 121 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1doh n HIS 122 N -0.61 2.73 -0.34 1.61 -0.00 -1.26 -4.07 115.22 113.28 1doh n HIS 122 Ca 0.00 0.45 0.16 0.00 0.46 0.00 0.00 57.72 58.79 1doh n HIS 122 Cb 0.00 -2.47 0.36 0.00 -0.12 0.00 0.00 29.99 27.76 1doh n HIS 122 CO 0.00 0.00 0.00 -0.24 0.46 0.00 0.00 176.34 176.56 1doh h VAL 123 N 2.45 0.57 0.00 3.57 3.04 -1.99 0.32 116.25 124.21 1doh h VAL 123 Ca -0.51 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 1doh h VAL 123 Cb 1.26 -0.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 1doh h VAL 123 CO 0.62 0.11 0.00 0.07 -1.01 0.00 0.00 177.57 177.36 1doh h LYS 124 N 0.60 0.00 -0.01 4.17 2.10 -2.04 -2.51 116.57 118.88 1doh h LYS 124 Ca 0.62 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.27 1doh h LYS 124 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1doh h LYS 124 CO -0.46 0.00 -0.51 -0.25 -2.00 0.00 0.00 179.45 176.24 1doh n ASP 125 N -3.07 1.61 -4.70 7.07 8.00 0.10 -4.98 116.55 120.56 1doh n ASP 125 Ca -0.03 -1.30 -0.42 0.00 0.71 0.00 0.00 54.79 53.75 1doh n ASP 125 Cb 0.10 0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 41.76 1doh n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1doh s VAL 126 N -2.30 3.42 0.25 2.53 1.01 -0.95 -5.00 120.40 119.37 1doh s VAL 126 Ca 0.14 0.96 -0.01 0.00 0.00 0.00 0.00 61.98 63.07 1doh s VAL 126 Cb 0.15 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1doh s VAL 126 CO 0.54 0.04 0.45 0.42 0.00 0.00 0.00 175.10 176.56 1doh s THR 127 N 1.64 5.15 0.40 3.92 -4.23 -1.26 -5.00 115.64 116.26 1doh s THR 127 Ca 0.65 -0.34 0.23 0.00 -1.18 0.00 0.00 61.69 61.05 1doh s THR 127 Cb -0.35 -3.76 0.24 0.00 1.34 0.00 0.00 72.50 69.97 1doh s THR 127 CO 0.29 -0.28 2.01 -0.65 -0.54 0.00 0.00 174.62 175.45 1doh h PRO 128 N 1.65 0.00 -0.18 3.99 0.11 -1.99 -1.99 132.00 133.59 1doh h PRO 128 Ca -0.48 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1doh h PRO 128 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1doh h PRO 128 CO 0.66 0.17 -0.16 1.05 -0.21 0.00 0.00 178.00 179.51 1doh h GLU 129 N 0.00 0.43 -0.44 1.05 9.09 -1.99 -1.55 114.58 121.17 1doh h GLU 129 Ca -0.00 -0.22 -0.06 0.00 0.05 0.00 0.00 59.36 59.13 1doh h GLU 129 Cb 0.40 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.49 1doh h GLU 129 CO 0.02 0.78 0.03 1.49 0.05 0.00 0.00 179.01 181.38 1doh h GLU 130 N 0.09 0.75 -0.54 1.06 4.57 -1.92 -0.25 114.58 118.34 1doh h GLU 130 Ca 0.03 -0.22 0.03 0.00 -1.18 0.00 0.00 59.36 58.02 1doh h GLU 130 Cb 0.69 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.16 1doh h GLU 130 CO 0.04 0.80 0.31 0.35 -1.18 0.00 0.00 179.01 179.33 1doh h PHE 131 N 0.60 0.58 -0.23 0.92 3.04 -1.38 -2.18 116.94 118.29 1doh h PHE 131 Ca 0.13 0.02 -0.14 0.00 3.98 0.00 0.00 57.97 61.96 1doh h PHE 131 Cb 0.44 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 1doh h PHE 131 CO 0.03 0.31 -0.43 -0.44 -2.02 0.00 0.00 178.31 175.76 1doh h ASP 132 N 0.61 0.60 -0.00 0.41 3.32 -1.12 -2.40 116.42 117.84 1doh h ASP 132 Ca 0.23 -0.28 0.03 0.00 0.02 0.00 0.00 57.03 57.03 1doh h ASP 132 Cb 0.07 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 1doh h ASP 132 CO -0.12 0.95 -0.26 -0.09 -1.72 0.00 0.00 179.24 178.00 1doh h ARG 133 N 0.45 -0.38 -0.03 3.56 1.12 -0.45 -1.56 114.38 117.10 1doh h ARG 133 Ca 0.03 0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.92 1doh h ARG 133 Cb 0.94 0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 30.99 1doh h ARG 133 CO 0.08 -0.25 -0.00 0.28 -3.11 0.00 0.00 179.97 176.97 1doh h VAL 134 N -0.39 1.27 -0.20 0.20 2.07 -1.42 -3.25 116.25 114.53 1doh h VAL 134 Ca 0.06 -0.82 -0.08 0.00 0.82 0.00 0.00 66.70 66.68 1doh h VAL 134 Cb 0.48 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1doh h VAL 134 CO -0.23 0.22 -0.24 -0.26 0.02 0.00 0.00 177.57 177.08 1doh h PHE 135 N -0.28 0.40 -0.40 1.57 -1.00 -1.43 0.43 116.94 116.23 1doh h PHE 135 Ca 0.01 -0.08 -0.04 0.00 2.81 0.00 0.00 57.97 60.67 1doh h PHE 135 Cb 0.36 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.79 1doh h PHE 135 CO 0.04 0.58 0.08 1.15 -1.61 0.00 0.00 178.31 178.55 1doh h THR 136 N 0.33 1.19 0.00 -1.55 2.02 -1.34 0.21 112.91 113.77 1doh h THR 136 Ca 0.05 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1doh h THR 136 Cb 0.60 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1doh h THR 136 CO 0.04 0.25 -0.52 -0.38 0.37 0.00 0.00 175.52 175.29 1doh n ILE 137 N -4.31 1.36 0.24 3.11 5.41 -1.12 -0.36 119.36 123.69 1doh n ILE 137 Ca 0.02 0.23 0.08 0.00 1.00 0.00 0.00 62.75 64.08 1doh n ILE 137 Cb 0.21 -2.35 0.58 0.00 -0.71 0.00 0.00 39.64 37.37 1doh n ILE 137 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1doh h ASN 138 N -0.95 0.00 0.00 4.38 2.35 -1.03 -3.13 115.58 117.20 1doh h ASN 138 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1doh h ASN 138 Cb 0.52 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 1doh h ASN 138 CO 0.00 0.16 -0.17 0.41 -1.65 0.00 0.00 177.43 176.19 1doh n THR 139 N -4.10 1.25 -0.20 2.81 -1.04 -0.81 -4.47 114.28 107.72 1doh n THR 139 Ca -0.02 0.36 -0.08 0.00 -2.04 0.00 0.00 64.05 62.27 1doh n THR 139 Cb 0.24 -1.69 0.02 0.00 -1.82 0.00 0.00 70.33 67.08 1doh n THR 139 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1doh h ARG 140 N -0.13 0.89 -0.01 -2.82 2.43 -0.73 -1.55 114.38 112.47 1doh h ARG 140 Ca -0.00 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1doh h ARG 140 Cb 0.16 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1doh h ARG 140 CO -0.00 0.80 0.00 0.78 -1.51 0.00 0.00 179.97 180.04 1doh h GLY 141 N 0.81 0.01 1.43 2.80 0.00 -0.64 -1.36 103.07 106.12 1doh h GLY 141 Ca 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 1doh h GLY 141 CO -0.01 0.00 0.32 1.46 0.00 0.00 0.00 176.54 178.32 1doh h GLN 142 N -0.05 0.75 -0.22 4.80 4.20 -1.54 0.89 115.11 123.95 1doh h GLN 142 Ca 0.00 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1doh h GLN 142 Cb 0.06 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1doh h GLN 142 CO -0.00 0.54 0.07 0.35 -0.67 0.00 0.00 178.83 179.12 1doh h PHE 143 N 0.77 0.35 0.00 2.96 3.04 -0.92 -0.44 116.94 122.70 1doh h PHE 143 Ca 0.20 -0.04 -0.16 0.00 3.98 0.00 0.00 57.97 61.96 1doh h PHE 143 Cb -0.00 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.38 1doh h PHE 143 CO 0.00 0.42 -0.75 0.74 -2.02 0.00 0.00 178.31 176.71 1doh h PHE 144 N 0.18 0.00 -0.81 0.41 0.04 -0.84 -1.22 116.94 114.70 1doh h PHE 144 Ca 0.07 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 1doh h PHE 144 Cb 0.24 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 1doh h PHE 144 CO 0.00 0.75 0.36 0.28 -0.60 0.00 0.00 178.31 179.10 1doh h VAL 145 N 0.00 1.26 -0.54 -0.55 2.07 -0.70 -2.27 116.25 115.52 1doh h VAL 145 Ca -0.01 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 1doh h VAL 145 Cb 1.33 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1doh h VAL 145 CO 0.10 0.32 0.07 0.00 0.02 0.00 0.00 177.57 178.08 1doh h ALA 146 N 1.19 1.11 0.23 1.67 0.00 -0.78 -0.14 119.26 122.53 1doh h ALA 146 Ca 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1doh h ALA 146 Cb 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1doh h ALA 146 CO -0.03 0.58 -0.11 -0.09 0.00 0.00 0.00 179.25 179.60 1doh h ARG 147 N 0.82 -0.29 -0.41 0.00 2.43 -0.80 -1.10 114.38 115.03 1doh h ARG 147 Ca 0.17 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1doh h ARG 147 Cb 0.39 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1doh h ARG 147 CO 0.01 -0.17 -0.03 0.93 -1.51 0.00 0.00 179.97 179.20 1doh h GLU 148 N -0.34 0.67 -0.21 0.20 4.39 -1.29 -2.76 114.58 115.23 1doh h GLU 148 Ca -0.03 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.51 1doh h GLU 148 Cb 0.26 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1doh h GLU 148 CO 0.05 0.70 0.11 0.00 -1.16 0.00 0.00 179.01 178.72 1doh h ALA 149 N 1.35 0.26 -0.46 3.43 0.00 -0.82 -1.61 119.26 121.40 1doh h ALA 149 Ca 0.12 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1doh h ALA 149 Cb 0.43 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1doh h ALA 149 CO 0.02 -0.29 0.09 -0.92 0.00 0.00 0.00 179.25 178.14 1doh h TYR 150 N 0.24 0.14 -0.52 0.00 3.20 -0.93 0.11 116.97 119.21 1doh h TYR 150 Ca 0.08 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 1doh h TYR 150 Cb 0.01 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1doh h TYR 150 CO -0.08 -0.00 0.12 0.87 -1.64 0.00 0.00 178.16 177.43 1doh h LYS 151 N 0.22 0.80 0.00 1.82 1.57 -1.26 -3.32 116.57 116.41 1doh h LYS 151 Ca 0.23 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1doh h LYS 151 Cb 0.29 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1doh h LYS 151 CO -0.30 0.72 -1.51 0.72 -0.57 0.00 0.00 179.45 178.51 1doh n HIS 152 N -4.28 0.51 -1.97 -1.35 8.25 -0.64 -5.00 115.22 110.74 1doh n HIS 152 Ca 0.04 0.15 -0.36 0.00 -0.26 0.00 0.00 57.72 57.29 1doh n HIS 152 Cb 0.22 -0.76 0.04 0.00 1.12 0.00 0.00 29.99 30.61 1doh n HIS 152 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1doh s LEU 153 N -5.00 3.64 0.62 2.41 1.43 0.31 -4.41 118.68 117.68 1doh s LEU 153 Ca -0.04 2.40 -0.16 0.00 -1.03 0.00 0.00 54.13 55.30 1doh s LEU 153 Cb 0.11 -4.60 -0.02 0.00 0.03 0.00 0.00 46.19 41.71 1doh s LEU 153 CO 0.85 -1.65 1.09 -1.61 0.23 0.00 0.00 176.35 175.26 1doh s GLU 154 N -3.36 3.08 0.11 1.70 0.41 -0.51 -4.91 118.70 115.21 1doh s GLU 154 Ca 0.78 1.35 -0.31 0.00 -0.41 0.00 0.00 54.97 56.37 1doh s GLU 154 Cb -0.31 -1.99 -0.09 0.00 -1.78 0.00 0.00 34.13 29.97 1doh s GLU 154 CO 0.34 -1.02 1.54 0.42 -0.49 0.00 0.00 175.26 176.05 1doh s ILE 155 N -2.31 3.01 0.00 -1.63 1.01 -1.26 -1.02 121.20 119.01 1doh s ILE 155 Ca 0.66 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.94 1doh s ILE 155 Cb -0.19 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1doh s ILE 155 CO 0.38 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.95 1doh n GLY 156 N 3.77 0.90 1.87 6.18 0.00 -0.47 -4.99 105.19 112.44 1doh n GLY 156 Ca 0.14 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 1doh n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1doh n GLY 157 N -2.19 -2.59 2.98 -0.02 0.00 -0.18 -4.83 105.19 98.35 1doh n GLY 157 Ca 0.00 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 1doh n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1doh s ARG 158 N -4.32 0.34 -0.10 1.61 1.81 -0.78 -2.75 118.95 114.75 1doh s ARG 158 Ca 0.38 -0.48 -0.03 0.00 -1.72 0.00 0.00 55.73 53.87 1doh s ARG 158 Cb -0.04 -0.12 0.05 0.00 -0.45 0.00 0.00 34.95 34.40 1doh s ARG 158 CO 0.29 0.02 0.14 -1.17 -0.68 0.00 0.00 175.30 173.90 1doh s LEU 159 N -1.03 -0.00 -0.21 2.53 2.96 -0.74 -1.87 118.68 120.32 1doh s LEU 159 Ca -0.08 0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1doh s LEU 159 Cb -0.07 0.17 0.01 0.00 0.50 0.00 0.00 46.19 46.80 1doh s LEU 159 CO -0.00 -0.27 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.01 1doh s ILE 160 N 2.26 2.63 0.29 6.68 1.09 -0.58 -2.26 121.20 131.31 1doh s ILE 160 Ca 0.04 -0.82 -0.00 0.00 -1.10 0.00 0.00 60.65 58.76 1doh s ILE 160 Cb -0.13 -2.19 -0.04 0.00 -1.06 0.00 0.00 42.46 39.04 1doh s ILE 160 CO -0.06 0.43 0.49 -0.76 -0.10 0.00 0.00 174.94 174.93 1doh s LEU 161 N 1.35 4.10 -0.36 2.97 1.43 0.06 -1.63 118.68 126.60 1doh s LEU 161 Ca 0.04 0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 53.49 1doh s LEU 161 Cb -0.14 -3.27 0.03 0.00 0.03 0.00 0.00 46.19 42.84 1doh s LEU 161 CO -0.08 -0.19 0.18 -0.32 0.23 0.00 0.00 176.35 176.16 1doh s MET 162 N -3.90 2.81 0.00 1.70 -2.45 -0.94 -1.35 119.30 115.17 1doh s MET 162 Ca 0.40 -1.08 0.00 0.00 -1.25 0.00 0.00 55.69 53.76 1doh s MET 162 Cb -0.10 -3.65 0.00 0.00 1.25 0.00 0.00 34.83 32.32 1doh s MET 162 CO 0.33 -0.67 0.00 0.41 1.05 0.00 0.00 175.02 176.13 1doh n GLY 163 N 4.95 1.98 0.00 2.11 0.00 0.53 -4.95 105.19 109.81 1doh n GLY 163 Ca -0.12 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1doh n GLY 163 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1doh n SER 164 N 0.00 0.00 0.28 1.61 2.88 -1.26 -4.60 113.62 112.53 1doh n SER 164 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1doh n SER 164 Cb 0.00 0.00 0.79 0.00 -0.75 0.00 0.00 64.21 64.25 1doh n SER 164 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1doh h ILE 165 N 0.01 0.54 0.00 2.46 2.10 -1.54 -2.78 117.51 118.29 1doh h ILE 165 Ca 0.00 -0.36 -0.01 0.00 1.08 0.00 0.00 64.86 65.57 1doh h ILE 165 Cb 0.00 1.23 -0.00 0.00 -1.09 0.00 0.00 36.82 36.96 1doh h ILE 165 CO 0.00 0.08 -0.04 0.71 -1.08 0.00 0.00 178.15 177.82 1doh h THR 166 N 0.00 0.26 -0.30 2.19 1.35 -1.93 -0.47 112.91 114.00 1doh h THR 166 Ca -0.00 -0.28 0.01 0.00 -0.55 0.00 0.00 66.41 65.59 1doh h THR 166 Cb 0.23 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 67.85 1doh h THR 166 CO 0.01 0.04 0.20 1.23 -0.25 0.00 0.00 175.52 176.75 1doh h GLY 167 N 0.69 0.39 0.00 5.82 0.00 -1.67 -3.22 103.07 105.08 1doh h GLY 167 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1doh h GLY 167 CO 0.01 0.13 -0.24 -1.06 0.00 0.00 0.00 176.54 175.38 1doh n GLN 168 N -4.49 5.44 -1.11 4.80 6.02 -0.99 -4.71 117.38 122.35 1doh n GLN 168 Ca 0.02 -0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.65 1doh n GLN 168 Cb 0.10 -0.68 0.08 0.00 1.02 0.00 0.00 30.24 30.75 1doh n GLN 168 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1doh n ALA 169 N -1.12 -2.37 -0.39 -1.58 0.00 -0.22 -4.97 120.51 109.86 1doh n ALA 169 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1doh n ALA 169 Cb 0.05 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1doh n ALA 169 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1doh n LYS 170 N -0.46 0.00 0.00 0.00 5.02 -1.05 -4.85 118.16 116.82 1doh n LYS 170 Ca 0.08 -0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1doh n LYS 170 Cb 0.51 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.81 1doh n LYS 170 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1doh n ALA 171 N -0.07 1.68 -2.56 7.82 0.00 0.25 -4.99 120.51 122.65 1doh n ALA 171 Ca 0.00 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.43 1doh n ALA 171 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.50 1doh n ALA 171 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1doh s VAL 172 N -0.33 4.57 0.65 0.00 1.01 -1.24 -5.04 120.40 120.02 1doh s VAL 172 Ca 0.00 0.54 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 1doh s VAL 172 Cb 0.00 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1doh s VAL 172 CO 0.00 -0.78 1.05 -2.16 0.00 0.00 0.00 175.10 173.21 1doh s PRO 173 N 3.49 3.33 -1.43 2.72 0.04 -1.26 -4.24 135.00 137.65 1doh s PRO 173 Ca 0.33 0.65 -0.07 0.00 0.04 0.00 0.00 61.00 61.94 1doh s PRO 173 Cb -0.11 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.41 1doh s PRO 173 CO 0.24 -0.74 0.81 1.63 0.04 0.00 0.00 177.00 178.98 1doh n LYS 174 N -2.85 -5.03 -1.04 4.56 5.02 -1.26 -4.86 118.16 112.69 1doh n LYS 174 Ca 0.06 0.59 0.02 0.00 -2.02 0.00 0.00 58.31 56.96 1doh n LYS 174 Cb 0.55 -5.27 0.01 0.00 -0.02 0.00 0.00 35.03 30.30 1doh n LYS 174 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1doh n HIS 175 N -4.49 0.00 -0.11 2.13 -0.00 -1.26 -0.36 115.22 111.14 1doh n HIS 175 Ca -0.13 -0.28 -0.09 0.00 0.46 0.00 0.00 57.72 57.68 1doh n HIS 175 Cb 0.60 -0.08 -0.02 0.00 -0.12 0.00 0.00 29.99 30.38 1doh n HIS 175 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1doh h ALA 176 N 0.53 0.43 0.56 1.57 0.00 -1.89 -0.91 119.26 119.54 1doh h ALA 176 Ca -0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1doh h ALA 176 Cb 1.65 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1doh h ALA 176 CO 0.04 -0.02 -0.38 0.28 0.00 0.00 0.00 179.25 179.17 1doh h VAL 177 N 0.40 0.00 -0.23 0.00 2.07 -1.90 0.17 116.25 116.76 1doh h VAL 177 Ca 0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 1doh h VAL 177 Cb 0.11 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.85 1doh h VAL 177 CO -0.02 0.00 0.05 0.22 0.02 0.00 0.00 177.57 177.84 1doh h TYR 178 N -0.89 0.08 -0.67 1.57 3.20 -1.78 -1.75 116.97 116.73 1doh h TYR 178 Ca -0.07 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.87 1doh h TYR 178 Cb 0.72 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.94 1doh h TYR 178 CO -0.09 0.02 0.37 0.77 -1.64 0.00 0.00 178.16 177.59 1doh h SER 179 N 0.14 0.55 -0.22 -2.11 0.02 -1.11 -2.01 113.55 108.80 1doh h SER 179 Ca 0.11 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 1doh h SER 179 Cb 0.10 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1doh h SER 179 CO -0.14 0.35 -0.14 1.23 -1.14 0.00 0.00 176.83 176.99 1doh h GLY 180 N 0.68 0.68 1.94 -3.77 0.00 -0.37 0.51 103.07 102.74 1doh h GLY 180 Ca 0.30 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 1doh h GLY 180 CO -0.19 0.46 -0.27 1.48 0.00 0.00 0.00 176.54 178.02 1doh h SER 181 N 0.57 0.07 0.48 0.19 4.64 -0.63 -2.46 113.55 116.41 1doh h SER 181 Ca 0.10 -0.02 -0.30 0.00 -0.47 0.00 0.00 61.79 61.10 1doh h SER 181 Cb 0.57 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1doh h SER 181 CO 0.04 0.35 -1.53 0.11 -0.87 0.00 0.00 176.83 174.93 1doh h LYS 182 N 0.07 0.21 -0.60 4.77 1.79 -0.99 -3.34 116.57 118.48 1doh h LYS 182 Ca 0.01 -0.36 -0.02 0.00 -2.18 0.00 0.00 60.65 58.10 1doh h LYS 182 Cb 0.53 0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.28 1doh h LYS 182 CO 0.04 1.05 0.30 0.78 -1.08 0.00 0.00 179.45 180.55 1doh h GLY 183 N 1.90 0.90 1.88 3.86 0.00 -0.71 -2.21 103.07 108.69 1doh h GLY 183 Ca -0.24 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.69 1doh h GLY 183 CO 0.15 0.39 0.07 0.00 0.00 0.00 0.00 176.54 177.15 1doh h ALA 184 N 1.49 1.95 -0.34 3.60 0.00 -1.56 -2.72 119.26 121.67 1doh h ALA 184 Ca 0.21 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1doh h ALA 184 Cb 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1doh h ALA 184 CO -0.03 0.04 -0.11 0.82 0.00 0.00 0.00 179.25 179.97 1doh h ILE 185 N 0.12 1.24 -0.86 0.00 1.08 -1.54 -2.01 117.51 115.55 1doh h ILE 185 Ca 0.04 -1.06 -0.03 0.00 -0.39 0.00 0.00 64.86 63.43 1doh h ILE 185 Cb 0.01 1.10 -0.04 0.00 -3.07 0.00 0.00 36.82 34.82 1doh h ILE 185 CO -0.01 0.35 0.43 -0.33 -0.69 0.00 0.00 178.15 177.90 1doh h GLU 186 N 0.54 1.23 -0.44 2.37 5.08 -1.55 -1.60 114.58 120.21 1doh h GLU 186 Ca 0.10 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1doh h GLU 186 Cb 0.51 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1doh h GLU 186 CO 0.03 0.93 -0.24 1.15 -1.00 0.00 0.00 179.01 179.88 1doh h THR 187 N 1.22 1.27 -0.43 1.13 2.02 -1.56 -2.97 112.91 113.59 1doh h THR 187 Ca 0.30 -1.39 0.05 0.00 0.77 0.00 0.00 66.41 66.13 1doh h THR 187 Cb 0.10 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 1doh h THR 187 CO -0.04 0.47 0.17 -0.26 0.37 0.00 0.00 175.52 176.23 1doh h PHE 188 N 0.77 0.30 -0.37 3.16 0.04 -1.00 -1.86 116.94 117.97 1doh h PHE 188 Ca 0.09 0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.97 1doh h PHE 188 Cb 0.81 -0.07 -0.08 0.00 2.20 0.00 0.00 35.95 38.81 1doh h PHE 188 CO 0.06 0.12 -0.21 0.00 -0.60 0.00 0.00 178.31 177.68 1doh h ALA 189 N 1.27 0.04 -0.21 2.45 0.00 -1.14 0.81 119.26 122.49 1doh h ALA 189 Ca 0.20 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1doh h ALA 189 Cb 0.18 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1doh h ALA 189 CO -0.19 -0.59 0.13 0.00 0.00 0.00 0.00 179.25 178.60 1doh h ARG 190 N -0.15 0.25 -0.30 0.00 3.08 -1.41 0.47 114.38 116.32 1doh h ARG 190 Ca 0.18 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 60.05 1doh h ARG 190 Cb 0.44 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1doh h ARG 190 CO -0.46 0.17 -0.46 0.00 -1.07 0.00 0.00 179.97 178.14 1doh h MET 192 N 0.63 0.00 -0.44 0.00 2.86 0.65 -2.93 114.93 115.70 1doh h MET 192 Ca 0.03 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1doh h MET 192 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 1doh h MET 192 CO 0.11 0.54 0.29 0.00 1.06 0.00 0.00 176.91 178.91 1doh h ALA 193 N 1.46 1.81 0.30 6.32 0.00 -0.85 0.86 119.26 129.17 1doh h ALA 193 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1doh h ALA 193 Cb 1.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1doh h ALA 193 CO 0.07 0.14 -0.15 0.82 0.00 0.00 0.00 179.25 180.13 1doh h ILE 194 N 0.48 0.39 -0.07 0.00 2.04 -1.53 -3.08 117.51 115.74 1doh h ILE 194 Ca 0.18 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.24 1doh h ILE 194 Cb 0.11 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1doh h ILE 194 CO -0.04 0.10 0.01 0.44 0.00 0.00 0.00 178.15 178.65 1doh h ASP 195 N -1.00 -0.01 0.65 1.72 3.32 -1.44 -3.06 116.42 116.61 1doh h ASP 195 Ca -0.04 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1doh h ASP 195 Cb 0.47 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1doh h ASP 195 CO 0.07 0.01 0.00 0.23 -1.72 0.00 0.00 179.24 177.83 1doh n MET 196 N -5.09 0.17 0.08 3.56 2.81 0.27 -2.66 117.12 116.27 1doh n MET 196 Ca -0.05 0.42 0.09 0.00 -1.81 0.00 0.00 57.70 56.35 1doh n MET 196 Cb 0.05 -1.84 0.40 0.00 -0.71 0.00 0.00 33.22 31.12 1doh n MET 196 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1doh n ALA 197 N -1.75 1.51 0.57 3.04 0.00 -1.16 -1.44 120.51 121.28 1doh n ALA 197 Ca 0.02 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.60 1doh n ALA 197 Cb 0.21 -1.29 0.39 0.00 0.00 0.00 0.00 19.45 18.76 1doh n ALA 197 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1doh n ASP 198 N -1.93 0.14 -0.31 0.00 5.68 -1.09 -1.65 116.55 117.39 1doh n ASP 198 Ca 0.02 0.53 0.08 0.00 -0.50 0.00 0.00 54.79 54.91 1doh n ASP 198 Cb 0.16 -0.56 0.15 0.00 -1.14 0.00 0.00 41.12 39.73 1doh n ASP 198 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1doh n LYS 199 N -1.65 2.09 -2.45 0.11 5.02 -0.52 -4.98 118.16 115.79 1doh n LYS 199 Ca 0.04 -2.43 -0.17 0.00 -2.02 0.00 0.00 58.31 53.73 1doh n LYS 199 Cb 0.22 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.73 1doh n LYS 199 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1doh n LYS 200 N -0.91 -2.04 -3.53 1.97 4.76 -0.66 -1.37 118.16 116.38 1doh n LYS 200 Ca 0.14 0.81 -0.37 0.00 -2.87 0.00 0.00 58.31 56.02 1doh n LYS 200 Cb 0.62 -5.45 -0.06 0.00 -1.84 0.00 0.00 35.03 28.30 1doh n LYS 200 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1doh s ILE 201 N -2.85 5.19 0.16 -0.18 1.01 -1.16 -3.21 121.20 120.16 1doh s ILE 201 Ca 0.01 0.70 -0.01 0.00 0.00 0.00 0.00 60.65 61.35 1doh s ILE 201 Cb -0.01 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1doh s ILE 201 CO 0.02 0.49 0.34 0.42 0.00 0.00 0.00 174.94 176.21 1doh s THR 202 N -0.37 5.24 -0.06 2.92 -4.23 -1.11 -3.92 115.64 114.11 1doh s THR 202 Ca 0.21 -0.30 -0.01 0.00 -1.18 0.00 0.00 61.69 60.41 1doh s THR 202 Cb -0.15 -3.69 0.03 0.00 1.34 0.00 0.00 72.50 70.03 1doh s THR 202 CO 0.09 -0.05 0.02 -0.69 -0.54 0.00 0.00 174.62 173.44 1doh s VAL 203 N -1.74 0.22 0.22 2.29 1.01 -1.26 -1.80 120.40 119.35 1doh s VAL 203 Ca 0.38 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1doh s VAL 203 Cb -0.12 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 1doh s VAL 203 CO 0.28 0.22 0.10 0.20 0.00 0.00 0.00 175.10 175.90 1doh s ASN 204 N 1.89 0.77 -0.07 3.32 0.01 -0.96 -0.96 114.94 118.94 1doh s ASN 204 Ca 0.03 -1.36 0.04 0.00 -0.71 0.00 0.00 52.86 50.86 1doh s ASN 204 Cb -0.12 0.24 0.00 0.00 0.41 0.00 0.00 41.25 41.78 1doh s ASN 204 CO -0.04 -0.75 -0.18 -0.69 -1.51 0.00 0.00 177.10 173.92 1doh s VAL 205 N -3.91 1.57 -0.17 1.60 1.01 -0.52 -0.76 120.40 119.21 1doh s VAL 205 Ca 0.36 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 1doh s VAL 205 Cb 0.07 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 1doh s VAL 205 CO 0.11 0.45 0.23 0.68 0.00 0.00 0.00 175.10 176.57 1doh s VAL 206 N 0.33 5.35 -0.62 2.92 -7.23 -0.46 -0.68 120.40 120.02 1doh s VAL 206 Ca -0.12 0.41 0.04 0.00 -1.81 0.00 0.00 61.98 60.50 1doh s VAL 206 Cb -0.15 -3.56 0.15 0.00 0.56 0.00 0.00 36.38 33.38 1doh s VAL 206 CO 0.05 0.42 0.38 0.00 -0.31 0.00 0.00 175.10 175.64 1doh s ALA 207 N 0.33 3.58 0.64 1.32 0.00 -0.17 -0.35 121.76 127.12 1doh s ALA 207 Ca 0.13 -3.57 -0.13 0.00 0.00 0.00 0.00 51.96 48.39 1doh s ALA 207 Cb -0.12 -2.17 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 1doh s ALA 207 CO 0.02 -2.06 1.06 -1.25 0.00 0.00 0.00 175.76 173.53 1doh s PRO 208 N -0.88 3.13 0.00 0.00 0.04 -1.26 -1.68 135.00 134.34 1doh s PRO 208 Ca 0.21 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1doh s PRO 208 Cb -0.15 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1doh s PRO 208 CO -0.08 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 176.41 1doh n GLY 209 N -1.44 0.65 3.71 0.56 0.00 -0.70 -1.80 105.19 106.18 1doh n GLY 209 Ca 0.08 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 1doh n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1doh n GLY 210 N 5.00 1.39 3.08 -0.02 0.00 -1.26 -4.91 105.19 108.48 1doh n GLY 210 Ca 0.00 0.59 -0.24 0.00 0.00 0.00 0.00 46.02 46.37 1doh n GLY 210 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1doh s ILE 211 N 0.83 1.21 -0.48 -0.61 -1.09 -1.26 -3.72 121.20 116.08 1doh s ILE 211 Ca 0.73 -0.58 -0.27 0.00 -2.23 0.00 0.00 60.65 58.29 1doh s ILE 211 Cb -0.54 -1.05 -0.02 0.00 -1.58 0.00 0.00 42.46 39.27 1doh s ILE 211 CO 0.37 0.36 1.80 -0.54 -1.23 0.00 0.00 174.94 175.70 1doh s LYS 212 N 0.17 2.99 0.09 2.79 1.02 -0.83 -4.38 119.74 121.60 1doh s LYS 212 Ca -0.05 0.99 0.00 0.00 0.02 0.00 0.00 55.97 56.93 1doh s LYS 212 Cb -0.11 -4.28 -0.00 0.00 -0.52 0.00 0.00 37.83 32.92 1doh s LYS 212 CO 0.02 -2.28 0.12 0.25 -0.92 0.00 0.00 175.35 172.54 1doh n THR 213 N 7.30 0.00 -0.14 2.17 -2.24 -1.26 -4.60 114.28 115.51 1doh n THR 213 Ca 0.21 -0.55 -0.04 0.00 -2.27 0.00 0.00 64.05 61.40 1doh n THR 213 Cb 0.50 0.31 0.16 0.00 -2.10 0.00 0.00 70.33 69.19 1doh n THR 213 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1doh h ASP 214 N 0.55 0.81 -0.05 3.42 3.32 -1.99 -0.59 116.42 121.88 1doh h ASP 214 Ca -0.07 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 56.81 1doh h ASP 214 Cb 0.33 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1doh h ASP 214 CO 0.10 0.83 0.00 -0.03 -1.72 0.00 0.00 179.24 178.43 1doh h MET 215 N 0.81 0.03 -0.55 3.56 4.05 -1.96 -1.59 114.93 119.27 1doh h MET 215 Ca 0.17 -0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.63 1doh h MET 215 Cb 0.39 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.13 1doh h MET 215 CO 0.01 0.02 0.28 -0.92 0.23 0.00 0.00 176.91 176.53 1doh h TYR 216 N 0.03 0.52 -0.35 1.39 3.20 -1.65 -2.10 116.97 118.01 1doh h TYR 216 Ca 0.02 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1doh h TYR 216 Cb 0.02 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 1doh h TYR 216 CO -0.10 0.25 0.08 0.45 -1.64 0.00 0.00 178.16 177.20 1doh h HIS 217 N 0.54 0.51 0.01 -3.82 3.86 -0.62 -1.00 115.15 114.62 1doh h HIS 217 Ca 0.25 -0.03 -0.27 0.00 -1.16 0.00 0.00 60.37 59.16 1doh h HIS 217 Cb 0.16 -0.16 0.02 0.00 1.06 0.00 0.00 27.41 28.49 1doh h HIS 217 CO -0.10 0.45 -1.05 0.00 0.86 0.00 0.00 177.93 178.09 1doh h ALA 218 N 1.60 0.15 0.00 2.45 0.00 -0.66 -3.40 119.26 119.40 1doh h ALA 218 Ca 0.12 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1doh h ALA 218 Cb 0.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1doh h ALA 218 CO -0.00 0.71 -0.01 1.33 0.00 0.00 0.00 179.25 181.28 1doh n VAL 219 N -3.83 0.88 -0.27 0.00 0.24 -0.88 -4.81 118.33 109.66 1doh n VAL 219 Ca -0.11 -0.90 0.07 0.00 -2.04 0.00 0.00 64.34 61.37 1doh n VAL 219 Cb 0.89 0.54 0.21 0.00 -1.47 0.00 0.00 33.84 34.01 1doh n VAL 219 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1doh n ARG 221 N -5.08 0.15 0.24 0.00 1.74 -1.26 -1.83 116.66 110.61 1doh n ARG 221 Ca 0.16 0.49 0.15 0.00 -0.77 0.00 0.00 57.85 57.88 1doh n ARG 221 Cb 0.49 -1.85 0.51 0.00 -1.02 0.00 0.00 32.46 30.58 1doh n ARG 221 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1doh h GLU 222 N 0.00 0.00 -0.25 5.56 4.39 -1.41 -2.70 114.58 120.17 1doh h GLU 222 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1doh h GLU 222 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1doh h GLU 222 CO 0.00 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.51 1doh n TYR 223 N -2.96 0.31 -4.10 4.33 4.02 -0.76 -4.85 117.16 113.14 1doh n TYR 223 Ca 0.02 -0.16 -0.33 0.00 -0.01 0.00 0.00 57.90 57.43 1doh n TYR 223 Cb 0.37 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.53 1doh n TYR 223 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1doh s ILE 224 N -1.69 2.12 0.07 -0.72 1.01 -1.02 -5.04 121.20 115.94 1doh s ILE 224 Ca 0.35 -1.04 -0.30 0.00 0.00 0.00 0.00 60.65 59.66 1doh s ILE 224 Cb 0.21 -1.95 -0.09 0.00 0.01 0.00 0.00 42.46 40.64 1doh s ILE 224 CO 0.30 0.44 1.92 -2.84 0.00 0.00 0.00 174.94 174.77 1doh s PRO 225 N 1.27 4.14 -1.43 2.79 0.02 -1.26 -1.88 135.00 138.64 1doh s PRO 225 Ca 0.03 2.61 -0.08 0.00 0.02 0.00 0.00 61.00 63.58 1doh s PRO 225 Cb -0.14 -3.95 0.01 0.00 0.02 0.00 0.00 34.50 30.44 1doh s PRO 225 CO -0.11 -0.91 1.01 0.09 -0.33 0.00 0.00 177.00 176.74 1doh n ASN 226 N 6.83 -6.33 -1.11 2.53 3.02 -1.26 -4.91 115.26 114.03 1doh n ASN 226 Ca 0.19 -0.46 0.09 0.00 -0.03 0.00 0.00 54.58 54.37 1doh n ASN 226 Cb 0.40 -5.02 0.27 0.00 -0.61 0.00 0.00 39.78 34.82 1doh n ASN 226 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1doh n GLY 227 N -1.87 2.70 0.35 7.41 0.00 -0.79 -4.59 105.19 108.40 1doh n GLY 227 Ca -0.03 -0.66 0.07 0.00 0.00 0.00 0.00 46.02 45.40 1doh n GLY 227 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1doh h GLU 228 N 3.36 0.65 -0.64 1.61 9.09 -1.82 -2.31 114.58 124.51 1doh h GLU 228 Ca 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.37 1doh h GLU 228 Cb 0.98 -0.15 0.00 0.00 -1.65 0.00 0.00 28.75 27.93 1doh h GLU 228 CO 0.04 0.43 0.00 0.09 0.05 0.00 0.00 179.01 179.62 1doh n ASN 229 N -4.48 4.54 -4.79 3.06 3.02 -1.26 -4.96 115.26 110.39 1doh n ASN 229 Ca 0.10 -2.57 -0.36 0.00 -0.03 0.00 0.00 54.58 51.71 1doh n ASN 229 Cb 0.23 -0.59 -0.06 0.00 -0.61 0.00 0.00 39.78 38.75 1doh n ASN 229 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1doh s LEU 230 N -1.96 4.28 0.61 3.41 1.43 -0.87 -5.04 118.68 120.54 1doh s LEU 230 Ca 0.45 1.78 -0.10 0.00 -1.03 0.00 0.00 54.13 55.23 1doh s LEU 230 Cb 0.31 -4.06 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 1doh s LEU 230 CO 0.17 -0.10 0.99 -0.94 0.23 0.00 0.00 176.35 176.71 1doh s SER 231 N -1.70 6.08 0.40 2.29 1.04 -1.26 -4.84 113.70 115.72 1doh s SER 231 Ca 0.51 1.26 0.11 0.00 0.48 0.00 0.00 55.95 58.31 1doh s SER 231 Cb -0.17 -2.31 0.92 0.00 0.10 0.00 0.00 66.02 64.56 1doh s SER 231 CO 0.22 -0.90 1.96 0.78 0.98 0.00 0.00 173.24 176.28 1doh h ASN 232 N -0.27 0.48 -0.40 7.02 4.21 -1.99 -0.06 115.58 124.57 1doh h ASN 232 Ca -0.45 0.01 -0.05 0.00 1.21 0.00 0.00 56.30 57.02 1doh h ASN 232 Cb 1.21 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 38.30 1doh h ASN 232 CO 0.62 0.29 0.04 -0.08 -1.29 0.00 0.00 177.43 177.01 1doh h GLU 233 N 0.54 0.67 -0.08 0.81 4.81 -2.00 -2.85 114.58 116.47 1doh h GLU 233 Ca 0.31 -0.19 -0.12 0.00 -0.13 0.00 0.00 59.36 59.22 1doh h GLU 233 Cb 0.48 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1doh h GLU 233 CO -0.10 0.74 -0.48 0.93 -0.73 0.00 0.00 179.01 179.38 1doh h GLU 234 N 0.51 0.20 -0.29 1.92 5.08 -1.49 -2.85 114.58 117.66 1doh h GLU 234 Ca 0.12 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1doh h GLU 234 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1doh h GLU 234 CO 0.01 0.64 0.13 0.28 -1.00 0.00 0.00 179.01 179.07 1doh h VAL 235 N 0.16 1.17 -0.26 3.13 2.07 -0.99 -2.14 116.25 119.39 1doh h VAL 235 Ca 0.01 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 1doh h VAL 235 Cb 0.91 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1doh h VAL 235 CO 0.07 0.17 -0.04 0.44 0.02 0.00 0.00 177.57 178.24 1doh h ASP 236 N 0.33 0.37 -0.30 0.57 5.19 -1.41 -0.30 116.42 120.87 1doh h ASP 236 Ca 0.10 -0.07 -0.07 0.00 -0.62 0.00 0.00 57.03 56.37 1doh h ASP 236 Cb 0.15 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 1doh h ASP 236 CO -0.01 0.46 -0.11 -0.33 -3.12 0.00 0.00 179.24 176.14 1doh h GLU 237 N 0.38 0.60 0.12 3.56 4.39 -1.31 -1.18 114.58 121.14 1doh h GLU 237 Ca 0.08 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1doh h GLU 237 Cb 0.32 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1doh h GLU 237 CO 0.01 0.81 -0.06 -0.92 -1.16 0.00 0.00 179.01 177.69 1doh h TYR 238 N 0.36 -0.15 -0.98 4.33 5.03 -1.03 0.06 116.97 124.60 1doh h TYR 238 Ca 0.07 -0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.45 1doh h TYR 238 Cb 0.61 0.05 -0.07 0.00 1.55 0.00 0.00 36.73 38.87 1doh h TYR 238 CO 0.06 -0.08 0.62 0.00 -1.32 0.00 0.00 178.16 177.44 1doh h ALA 239 N 0.70 1.38 -0.16 1.82 0.00 -1.04 0.49 119.26 122.45 1doh h ALA 239 Ca -0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1doh h ALA 239 Cb 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1doh h ALA 239 CO 0.03 0.37 -0.29 0.00 0.00 0.00 0.00 179.25 179.35 1doh h ALA 240 N 1.46 0.26 0.17 0.00 0.00 -0.93 -2.29 119.26 117.92 1doh h ALA 240 Ca 0.44 -0.40 -0.28 0.00 0.00 0.00 0.00 54.91 54.66 1doh h ALA 240 Cb 0.23 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.00 1doh h ALA 240 CO -0.19 0.27 -1.34 0.28 0.00 0.00 0.00 179.25 178.27 1doh h VAL 241 N 0.12 1.19 0.07 0.00 2.07 -0.80 -3.12 116.25 115.79 1doh h VAL 241 Ca 0.01 -2.52 -0.26 0.00 0.82 0.00 0.00 66.70 64.75 1doh h VAL 241 Cb 0.88 2.93 0.02 0.00 -1.52 0.00 0.00 31.29 33.60 1doh h VAL 241 CO 0.07 0.76 -1.05 1.56 0.02 0.00 0.00 177.57 178.93 1doh h GLN 242 N -0.14 0.58 -0.66 1.57 1.08 -0.16 -3.36 115.11 114.02 1doh h GLN 242 Ca -0.26 -0.73 0.00 0.00 -1.45 0.00 0.00 58.65 56.22 1doh h GLN 242 Cb 1.89 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 29.54 1doh h GLN 242 CO 0.15 1.31 0.00 0.91 -0.95 0.00 0.00 178.83 180.26 1doh n TRP 243 N -3.91 1.06 -3.60 2.96 8.01 -0.86 -4.76 117.44 116.34 1doh n TRP 243 Ca -0.13 -0.48 -0.03 0.00 -1.31 0.00 0.00 57.50 55.56 1doh n TRP 243 Cb 0.89 -0.08 -0.06 0.00 -2.01 0.00 0.00 31.31 30.05 1doh n TRP 243 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1doh s SER 244 N -0.94 -0.75 0.53 -0.99 0.15 -1.25 -3.41 113.70 107.02 1doh s SER 244 Ca 0.45 1.14 0.29 0.00 0.70 0.00 0.00 55.95 58.53 1doh s SER 244 Cb 0.26 1.52 1.46 0.00 -1.71 0.00 0.00 66.02 67.55 1doh s SER 244 CO 0.27 -0.17 2.06 -0.65 1.20 0.00 0.00 173.24 175.95 1doh h PRO 245 N 6.92 0.00 0.00 5.44 0.11 -1.81 -1.49 132.00 141.17 1doh h PRO 245 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1doh h PRO 245 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1doh h PRO 245 CO 0.15 0.11 0.00 1.28 -0.21 0.00 0.00 178.00 179.33 1doh n LEU 246 N -3.53 0.00 -3.57 2.35 4.77 -1.26 -4.95 117.00 110.82 1doh n LEU 246 Ca -0.01 0.43 -0.22 0.00 -0.03 0.00 0.00 56.01 56.18 1doh n LEU 246 Cb 0.25 -0.43 0.05 0.00 -2.33 0.00 0.00 43.42 40.96 1doh n LEU 246 CO 0.29 -0.12 -0.03 0.54 -1.33 0.00 0.00 177.39 176.75 1doh n ARG 247 N -1.43 -3.74 -3.79 3.23 1.74 -0.56 -5.03 116.66 107.08 1doh n ARG 247 Ca 0.07 0.67 -0.09 0.00 -0.77 0.00 0.00 57.85 57.72 1doh n ARG 247 Cb 0.22 -5.18 -0.03 0.00 -1.02 0.00 0.00 32.46 26.45 1doh n ARG 247 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1doh s ARG 248 N -5.56 1.50 0.27 5.56 1.70 -1.18 -4.82 118.95 116.42 1doh s ARG 248 Ca 0.20 -0.93 -0.10 0.00 -0.47 0.00 0.00 55.73 54.43 1doh s ARG 248 Cb -0.05 0.54 -0.07 0.00 -0.57 0.00 0.00 34.95 34.80 1doh s ARG 248 CO 0.80 -0.65 0.61 0.08 -1.08 0.00 0.00 175.30 175.06 1doh s VAL 249 N -3.90 4.88 0.44 4.99 1.01 -1.26 -4.34 120.40 122.21 1doh s VAL 249 Ca 0.11 0.53 -0.21 0.00 0.00 0.00 0.00 61.98 62.42 1doh s VAL 249 Cb -0.02 -3.64 -0.10 0.00 0.00 0.00 0.00 36.38 32.61 1doh s VAL 249 CO 0.01 -0.17 0.97 -0.83 0.00 0.00 0.00 175.10 175.07 1doh s GLY 250 N -2.52 2.42 0.08 4.51 0.00 -1.24 -5.00 107.32 105.56 1doh s GLY 250 Ca 0.49 0.44 0.03 0.00 0.00 0.00 0.00 44.72 45.68 1doh s GLY 250 CO 0.22 0.73 -0.10 1.08 0.00 0.00 0.00 173.10 175.04 1doh s LEU 251 N -3.24 2.35 0.35 0.66 1.43 -1.26 -1.96 118.68 117.01 1doh s LEU 251 Ca 0.63 -0.72 0.16 0.00 -1.03 0.00 0.00 54.13 53.17 1doh s LEU 251 Cb -0.11 -0.27 1.08 0.00 0.03 0.00 0.00 46.19 46.92 1doh s LEU 251 CO 0.14 -0.23 1.69 -0.65 0.23 0.00 0.00 176.35 177.53 1doh h PRO 252 N 3.92 0.36 -0.08 1.29 0.11 -1.94 1.00 132.00 136.67 1doh h PRO 252 Ca -0.37 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 1doh h PRO 252 Cb 1.19 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1doh h PRO 252 CO 0.48 0.24 -0.10 0.97 -0.21 0.00 0.00 178.00 179.38 1doh h ILE 253 N 0.37 1.12 -0.71 4.15 6.09 -1.95 -1.18 117.51 125.40 1doh h ILE 253 Ca 0.70 -0.55 0.05 0.00 -1.37 0.00 0.00 64.86 63.70 1doh h ILE 253 Cb 1.63 1.18 -0.04 0.00 0.47 0.00 0.00 36.82 40.06 1doh h ILE 253 CO -0.51 0.17 0.47 0.44 -3.07 0.00 0.00 178.15 175.65 1doh h ASP 254 N 0.11 0.68 0.13 2.19 3.32 -1.21 -1.52 116.42 120.13 1doh h ASP 254 Ca 0.02 -0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.81 1doh h ASP 254 Cb 0.26 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.67 1doh h ASP 254 CO 0.02 0.45 -1.28 0.40 -1.72 0.00 0.00 179.24 177.11 1doh h ILE 255 N 0.78 1.16 -0.97 0.35 1.08 -1.41 -3.34 117.51 115.17 1doh h ILE 255 Ca 0.30 -2.46 0.10 0.00 -0.39 0.00 0.00 64.86 62.41 1doh h ILE 255 Cb 0.20 2.86 -0.07 0.00 -3.07 0.00 0.00 36.82 36.73 1doh h ILE 255 CO -0.10 0.72 0.62 0.00 -0.69 0.00 0.00 178.15 178.70 1doh h ALA 256 N 0.00 1.53 -0.46 1.87 0.00 -0.97 -1.24 119.26 119.99 1doh h ALA 256 Ca -0.26 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1doh h ALA 256 Cb 1.77 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1doh h ALA 256 CO 0.10 0.27 0.26 0.00 0.00 0.00 0.00 179.25 179.89 1doh h ARG 257 N 1.01 0.63 -0.38 0.00 3.08 -1.43 -1.80 114.38 115.49 1doh h ARG 257 Ca 0.45 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.33 1doh h ARG 257 Cb 0.37 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1doh h ARG 257 CO -0.21 0.48 -0.20 0.28 -1.07 0.00 0.00 179.97 179.25 1doh h VAL 258 N 0.60 1.27 -0.82 2.04 2.07 -1.49 -2.43 116.25 117.50 1doh h VAL 258 Ca 0.16 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 1doh h VAL 258 Cb 0.02 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1doh h VAL 258 CO -0.03 0.43 0.51 0.58 0.02 0.00 0.00 177.57 179.08 1doh h VAL 259 N 0.64 1.22 -0.70 2.57 2.07 -1.05 -1.61 116.25 119.40 1doh h VAL 259 Ca 0.09 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 1doh h VAL 259 Cb 0.69 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1doh h VAL 259 CO 0.05 0.23 0.18 0.00 0.02 0.00 0.00 177.57 178.05 1doh h PHE 261 N 1.04 -0.31 -0.88 0.00 3.57 -0.94 -1.99 116.94 117.44 1doh h PHE 261 Ca 0.22 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.75 1doh h PHE 261 Cb 0.35 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 1doh h PHE 261 CO 0.03 -0.19 0.58 -0.07 -2.23 0.00 0.00 178.31 176.42 1doh h LEU 262 N -0.29 0.95 -1.59 0.59 3.38 -1.11 -1.90 115.31 115.34 1doh h LEU 262 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1doh h LEU 262 Cb 0.26 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1doh h LEU 262 CO -0.00 0.66 0.00 0.00 0.09 0.00 0.00 178.44 179.19 1doh h ALA 263 N 1.48 1.00 -1.44 1.53 0.00 -0.81 -3.40 119.26 117.62 1doh h ALA 263 Ca 0.34 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.79 1doh h ALA 263 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 17.79 17.88 1doh h ALA 263 CO -0.10 0.00 0.12 -1.54 0.00 0.00 0.00 179.25 177.73 1doh s SER 264 N -5.43 4.34 0.51 0.00 1.04 -0.72 -4.93 113.70 108.51 1doh s SER 264 Ca 0.01 -0.28 0.27 0.00 0.48 0.00 0.00 55.95 56.43 1doh s SER 264 Cb 0.09 -0.12 1.35 0.00 0.10 0.00 0.00 66.02 67.45 1doh s SER 264 CO 0.50 -1.86 2.02 -1.13 0.98 0.00 0.00 173.24 173.75 1doh h ASN 265 N -0.56 0.00 -0.09 7.02 -1.24 -1.72 -2.47 115.58 116.52 1doh h ASN 265 Ca -0.37 0.00 0.03 0.00 0.71 0.00 0.00 56.30 56.66 1doh h ASN 265 Cb 1.27 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.31 1doh h ASN 265 CO 0.41 0.14 0.12 0.44 -1.29 0.00 0.00 177.43 177.25 1doh h ASP 266 N 0.00 0.00 -0.56 1.15 3.45 -1.70 -1.23 116.42 117.52 1doh h ASP 266 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1doh h ASP 266 Cb 0.43 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.20 1doh h ASP 266 CO 0.02 0.00 0.00 0.61 -1.57 0.00 0.00 179.24 178.30 1doh n GLY 267 N -1.33 3.03 0.31 2.75 0.00 -0.93 -4.67 105.19 104.35 1doh n GLY 267 Ca -0.01 -0.91 0.14 0.00 0.00 0.00 0.00 46.02 45.24 1doh n GLY 267 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1doh h GLY 268 N 3.77 0.00 -2.01 -0.02 0.00 -1.36 -1.90 103.07 101.55 1doh h GLY 268 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1doh h GLY 268 CO 0.37 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.78 1doh n TRP 269 N -4.36 0.48 -3.49 5.60 -0.00 -1.26 -4.84 117.44 109.57 1doh n TRP 269 Ca 0.02 -0.29 -0.42 0.00 -0.00 0.00 0.00 57.50 56.81 1doh n TRP 269 Cb 0.30 -0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.51 1doh n TRP 269 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 1doh s VAL 270 N -1.29 4.99 -0.05 5.87 1.01 -0.71 -5.04 120.40 125.18 1doh s VAL 270 Ca 0.34 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 1doh s VAL 270 Cb 0.20 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.76 1doh s VAL 270 CO 0.27 -0.37 0.40 0.28 0.00 0.00 0.00 175.10 175.67 1doh s THR 271 N 1.62 0.04 -0.64 3.92 -1.32 -1.26 -4.71 115.64 113.28 1doh s THR 271 Ca 0.04 -0.30 0.00 0.00 -1.21 0.00 0.00 61.69 60.22 1doh s THR 271 Cb -0.21 -0.68 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 1doh s THR 271 CO 0.08 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 1doh n GLY 272 N 1.49 0.83 3.74 6.08 0.00 -0.13 -4.97 105.19 112.23 1doh n GLY 272 Ca -0.20 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 1doh n GLY 272 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1doh s LYS 273 N -2.22 2.65 -0.29 1.61 -0.14 -1.26 -4.35 119.74 115.74 1doh s LYS 273 Ca 0.00 -1.18 -0.03 0.00 -1.36 0.00 0.00 55.97 53.40 1doh s LYS 273 Cb 0.00 -2.40 0.04 0.00 -1.68 0.00 0.00 37.83 33.79 1doh s LYS 273 CO 0.00 0.40 0.00 0.08 -0.76 0.00 0.00 175.35 175.07 1doh s VAL 274 N -2.15 3.12 -0.43 3.17 1.01 -1.26 -1.45 120.40 122.41 1doh s VAL 274 Ca 0.32 -1.23 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 1doh s VAL 274 Cb -0.08 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.61 1doh s VAL 274 CO 0.22 -0.03 0.37 -0.63 0.00 0.00 0.00 175.10 175.03 1doh s ILE 275 N 1.30 5.20 -0.07 2.22 -1.09 0.15 -4.96 121.20 123.95 1doh s ILE 275 Ca -0.03 -0.68 -0.28 0.00 -2.23 0.00 0.00 60.65 57.42 1doh s ILE 275 Cb -0.19 -4.02 -0.02 0.00 -1.58 0.00 0.00 42.46 36.65 1doh s ILE 275 CO -0.01 -0.42 0.93 -0.83 -1.23 0.00 0.00 174.94 173.38 1doh s GLY 276 N 1.97 2.56 -0.50 6.18 0.00 -1.26 -1.00 107.32 115.27 1doh s GLY 276 Ca 0.07 0.36 0.03 0.00 0.00 0.00 0.00 44.72 45.18 1doh s GLY 276 CO 0.10 1.70 0.31 -0.42 0.00 0.00 0.00 173.10 174.79 1doh s ILE 277 N 1.50 1.71 0.00 0.90 1.01 -0.68 -4.88 121.20 120.76 1doh s ILE 277 Ca 0.47 -3.03 0.00 0.00 0.00 0.00 0.00 60.65 58.09 1doh s ILE 277 Cb -0.19 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.11 1doh s ILE 277 CO 0.21 -0.96 0.59 -0.90 0.00 0.00 0.00 174.94 173.88 1doh n ASP 278 N 3.06 0.00 -2.51 3.58 5.68 -1.26 -1.72 116.55 123.37 1doh n ASP 278 Ca 0.14 -1.29 -0.19 0.00 -0.50 0.00 0.00 54.79 52.94 1doh n ASP 278 Cb 0.36 -0.06 0.02 0.00 -1.14 0.00 0.00 41.12 40.30 1doh n ASP 278 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1doh n GLY 279 N 0.00 -0.39 2.10 6.12 0.00 -1.26 -3.08 105.19 108.69 1doh n GLY 279 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 1doh n GLY 279 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1doh n GLY 280 N -1.31 0.25 3.79 -0.02 0.00 -1.26 -3.78 105.19 102.87 1doh n GLY 280 Ca -0.14 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 1doh n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1doh s ALA 281 N -2.53 2.64 -0.29 4.61 0.00 -1.18 -4.60 121.76 120.42 1doh s ALA 281 Ca 0.05 0.42 -0.01 0.00 0.00 0.00 0.00 51.96 52.42 1doh s ALA 281 Cb -0.02 -3.26 0.09 0.00 0.00 0.00 0.00 23.12 19.93 1doh s ALA 281 CO 0.06 -0.99 0.08 0.00 0.00 0.00 0.00 175.76 174.90