#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1f n SER 2 N 0.00 2.50 -4.98 1.96 3.41 -1.26 -4.99 113.62 110.26 2a1f n SER 2 Ca 0.00 1.17 -0.20 0.00 -0.26 0.00 0.00 58.87 59.58 2a1f n SER 2 Cb 0.00 -1.42 -0.01 0.00 -0.26 0.00 0.00 64.21 62.52 2a1f n SER 2 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2a1f s GLN 3 N -1.10 3.25 0.36 4.33 -1.52 -1.26 -4.92 119.66 118.80 2a1f s GLN 3 Ca 0.62 -0.90 -0.27 0.00 -1.95 0.00 0.00 55.36 52.86 2a1f s GLN 3 Cb -0.64 -2.85 -0.09 0.00 -0.22 0.00 0.00 33.01 29.22 2a1f s GLN 3 CO 0.56 0.21 1.25 -2.14 -0.25 0.00 0.00 175.29 174.92 2a1f s PRO 4 N -4.10 4.23 0.00 2.91 0.02 -1.26 -4.39 135.00 132.42 2a1f s PRO 4 Ca 0.40 2.08 0.22 0.00 0.02 0.00 0.00 61.00 63.73 2a1f s PRO 4 Cb -0.09 -2.93 0.25 0.00 0.02 0.00 0.00 34.50 31.75 2a1f s PRO 4 CO 0.30 -0.24 1.26 0.44 -0.33 0.00 0.00 177.00 178.43 2a1f n ILE 5 N 0.54 0.17 -4.31 2.83 -5.35 -0.19 -4.94 119.36 108.10 2a1f n ILE 5 Ca 0.02 -0.58 -0.21 0.00 -0.27 0.00 0.00 62.75 61.71 2a1f n ILE 5 Cb 0.43 1.30 -0.13 0.00 -1.74 0.00 0.00 39.64 39.51 2a1f n ILE 5 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2a1f s TYR 6 N -1.72 1.36 -0.16 4.28 4.12 -1.26 -5.05 117.35 118.93 2a1f s TYR 6 Ca 0.29 -0.40 0.15 0.00 0.02 0.00 0.00 57.07 57.13 2a1f s TYR 6 Cb 0.20 -0.78 -0.24 0.00 -1.52 0.00 0.00 41.96 39.61 2a1f s TYR 6 CO 0.29 0.07 0.23 1.63 0.02 0.00 0.00 175.55 177.79 2a1f n LYS 7 N 1.57 0.67 -3.70 -0.62 5.02 -1.26 -4.82 118.16 115.03 2a1f n LYS 7 Ca -0.19 0.10 -0.13 0.00 -2.02 0.00 0.00 58.31 56.06 2a1f n LYS 7 Cb 0.54 -1.60 -0.13 0.00 -0.02 0.00 0.00 35.03 33.81 2a1f n LYS 7 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2a1f s ARG 8 N -2.52 0.15 0.22 1.97 3.52 -1.26 -1.52 118.95 119.51 2a1f s ARG 8 Ca -0.11 0.61 0.11 0.00 -0.13 0.00 0.00 55.73 56.22 2a1f s ARG 8 Cb 0.07 -0.11 -0.05 0.00 -1.56 0.00 0.00 34.95 33.30 2a1f s ARG 8 CO 0.81 -0.23 -0.21 0.96 -0.81 0.00 0.00 175.30 175.83 2a1f s ILE 9 N 1.85 2.23 -0.21 4.11 -4.36 -0.52 -0.67 121.20 123.63 2a1f s ILE 9 Ca -0.04 -2.16 0.02 0.00 -0.26 0.00 0.00 60.65 58.21 2a1f s ILE 9 Cb -0.11 -2.12 0.04 0.00 1.25 0.00 0.00 42.46 41.51 2a1f s ILE 9 CO -0.08 -0.30 -0.15 -0.22 0.24 0.00 0.00 174.94 174.43 2a1f s LEU 10 N -3.03 2.61 -0.42 0.37 0.20 -0.79 -2.12 118.68 115.51 2a1f s LEU 10 Ca 0.23 -0.95 -0.16 0.00 0.69 0.00 0.00 54.13 53.94 2a1f s LEU 10 Cb -0.06 -1.45 0.02 0.00 -0.43 0.00 0.00 46.19 44.28 2a1f s LEU 10 CO 0.11 -0.10 0.36 -0.22 -0.29 0.00 0.00 176.35 176.21 2a1f s LEU 11 N 1.25 5.07 -0.24 -0.68 2.96 -0.26 -0.32 118.68 126.45 2a1f s LEU 11 Ca -0.01 -0.86 -0.21 0.00 -0.22 0.00 0.00 54.13 52.83 2a1f s LEU 11 Cb -0.16 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.27 2a1f s LEU 11 CO -0.09 -0.51 0.65 -0.75 -1.32 0.00 0.00 176.35 174.33 2a1f s LYS 12 N 1.84 4.14 -0.09 1.98 2.36 0.00 -1.49 119.74 128.47 2a1f s LYS 12 Ca 0.07 0.61 0.01 0.00 -2.55 0.00 0.00 55.97 54.11 2a1f s LYS 12 Cb -0.19 -3.64 -0.02 0.00 -1.05 0.00 0.00 37.83 32.93 2a1f s LYS 12 CO 0.11 -0.40 -0.11 -0.51 1.55 0.00 0.00 175.35 176.00 2a1f s LEU 13 N 2.45 2.91 0.62 5.43 1.43 -0.02 -1.89 118.68 129.61 2a1f s LEU 13 Ca 0.28 -0.18 -0.16 0.00 -1.03 0.00 0.00 54.13 53.04 2a1f s LEU 13 Cb -0.16 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 2a1f s LEU 13 CO 0.09 0.28 1.11 -0.94 0.23 0.00 0.00 176.35 177.12 2a1f s SER 14 N -0.31 5.33 0.41 2.29 1.04 -1.26 -0.84 113.70 120.35 2a1f s SER 14 Ca 0.03 2.05 0.08 0.00 0.48 0.00 0.00 55.95 58.60 2a1f s SER 14 Cb -0.13 -2.56 0.87 0.00 0.10 0.00 0.00 66.02 64.30 2a1f s SER 14 CO 0.02 -1.48 2.03 1.23 0.98 0.00 0.00 173.24 176.02 2a1f h GLY 15 N 0.43 0.64 1.89 7.32 0.00 -1.91 -2.48 103.07 108.97 2a1f h GLY 15 Ca -0.48 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.63 2a1f h GLY 15 CO 0.55 0.20 0.05 0.83 0.00 0.00 0.00 176.54 178.17 2a1f h GLU 16 N 0.57 0.00 0.00 4.80 3.07 -1.89 -1.99 114.58 119.14 2a1f h GLU 16 Ca 0.20 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.05 2a1f h GLU 16 Cb 0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.01 2a1f h GLU 16 CO -0.05 0.00 -0.07 0.00 -1.40 0.00 0.00 179.01 177.49 2a1f h ALA 17 N 1.89 1.01 -0.01 3.43 0.00 -1.82 -2.75 119.26 121.01 2a1f h ALA 17 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2a1f h ALA 17 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2a1f h ALA 17 CO 0.00 0.09 -0.25 1.28 0.00 0.00 0.00 179.25 180.37 2a1f n LEU 18 N -3.19 1.04 -4.77 0.00 4.77 -0.75 -4.95 117.00 109.16 2a1f n LEU 18 Ca 0.01 -0.27 -0.35 0.00 -0.03 0.00 0.00 56.01 55.36 2a1f n LEU 18 Cb 0.36 -0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2a1f n LEU 18 CO 0.30 0.19 0.80 -1.10 -1.33 0.00 0.00 177.39 176.25 2a1f s GLN 19 N -2.49 3.19 0.84 3.23 -0.21 -1.04 -0.51 119.66 122.66 2a1f s GLN 19 Ca 0.25 1.66 -0.07 0.00 0.02 0.00 0.00 55.36 57.21 2a1f s GLN 19 Cb 0.19 -1.98 0.18 0.00 1.00 0.00 0.00 33.01 32.41 2a1f s GLN 19 CO 0.51 -0.99 1.14 0.41 -2.12 0.00 0.00 175.29 174.24 2a1f n GLY 20 N 0.21 -0.30 0.33 3.09 0.00 -1.20 -4.66 105.19 102.66 2a1f n GLY 20 Ca 0.12 -1.89 0.08 0.00 0.00 0.00 0.00 46.02 44.33 2a1f n GLY 20 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2a1f h GLU 21 N 0.00 0.48 0.00 1.61 -0.00 -1.96 0.32 114.58 115.02 2a1f h GLU 21 Ca -0.37 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 58.96 2a1f h GLU 21 Cb 1.20 -0.11 0.00 0.00 -0.00 0.00 0.00 28.75 29.85 2a1f h GLU 21 CO 0.33 0.32 0.00 -0.25 -0.00 0.00 0.00 179.01 179.41 2a1f n ASP 22 N -4.47 0.00 -0.91 3.06 9.92 -1.26 -4.83 116.55 118.06 2a1f n ASP 22 Ca 0.06 -0.63 -0.11 0.00 -0.53 0.00 0.00 54.79 53.58 2a1f n ASP 22 Cb 0.20 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.64 2a1f n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a1f n GLY 23 N -0.12 1.05 3.68 0.44 0.00 0.11 -4.94 105.19 105.40 2a1f n GLY 23 Ca 0.05 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 2a1f n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a1f s LEU 24 N -2.62 -0.34 0.00 0.99 0.20 -1.25 -4.83 118.68 110.83 2a1f s LEU 24 Ca 0.00 -0.33 0.00 0.00 0.69 0.00 0.00 54.13 54.49 2a1f s LEU 24 Cb 0.00 2.50 0.00 0.00 -0.43 0.00 0.00 46.19 48.26 2a1f s LEU 24 CO 0.00 -1.07 0.00 0.61 -0.29 0.00 0.00 176.35 175.60 2a1f n GLY 25 N -0.42 0.88 3.04 7.98 0.00 -1.16 -3.23 105.19 112.27 2a1f n GLY 25 Ca -0.09 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 2a1f n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a1f s ILE 26 N 0.00 1.75 -0.42 -0.61 1.01 -1.26 -4.00 121.20 117.67 2a1f s ILE 26 Ca 0.00 -0.88 -0.27 0.00 0.00 0.00 0.00 60.65 59.50 2a1f s ILE 26 Cb 0.00 -1.69 0.02 0.00 0.01 0.00 0.00 42.46 40.80 2a1f s ILE 26 CO 0.00 0.36 0.99 -0.62 0.00 0.00 0.00 174.94 175.67 2a1f s ASP 27 N 1.39 6.64 0.39 3.58 3.68 0.33 -4.89 116.67 127.78 2a1f s ASP 27 Ca 0.02 0.46 0.09 0.00 2.13 0.00 0.00 52.55 55.26 2a1f s ASP 27 Cb -0.14 -2.49 0.86 0.00 -1.45 0.00 0.00 42.92 39.70 2a1f s ASP 27 CO -0.10 -1.00 1.96 -0.65 0.13 0.00 0.00 175.17 175.50 2a1f h PRO 28 N 8.78 0.60 -0.04 4.34 0.11 -1.99 -1.61 132.00 142.19 2a1f h PRO 28 Ca -0.23 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.70 2a1f h PRO 28 Cb 1.07 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 2a1f h PRO 28 CO 1.03 0.40 -0.63 0.00 -0.21 0.00 0.00 178.00 178.59 2a1f h ALA 29 N 1.64 0.87 -0.24 -0.75 0.00 -1.97 -0.31 119.26 118.51 2a1f h ALA 29 Ca 0.31 -0.57 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 2a1f h ALA 29 Cb 0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2a1f h ALA 29 CO -0.10 0.76 -0.31 0.82 0.00 0.00 0.00 179.25 180.41 2a1f h ILE 30 N 0.11 1.32 -0.53 0.00 2.04 -1.75 -2.60 117.51 116.09 2a1f h ILE 30 Ca -0.01 -1.50 -0.10 0.00 1.00 0.00 0.00 64.86 64.25 2a1f h ILE 30 Cb 1.14 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 2a1f h ILE 30 CO 0.09 0.47 -0.06 0.25 0.00 0.00 0.00 178.15 178.90 2a1f h LEU 31 N 0.34 0.95 -0.82 1.44 5.85 -1.16 -1.79 115.31 120.13 2a1f h LEU 31 Ca 0.03 -0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.36 2a1f h LEU 31 Cb 0.89 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2a1f h LEU 31 CO 0.07 1.04 -0.48 0.44 -0.34 0.00 0.00 178.44 179.17 2a1f h ASP 32 N 0.87 0.00 -0.11 1.25 3.45 -1.13 -1.94 116.42 118.81 2a1f h ASP 32 Ca 0.15 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.59 2a1f h ASP 32 Cb 0.60 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.36 2a1f h ASP 32 CO 0.04 0.48 0.02 -0.09 -1.57 0.00 0.00 179.24 178.12 2a1f h ARG 33 N 0.00 0.19 -0.44 3.56 1.12 -1.02 -2.58 114.38 115.21 2a1f h ARG 33 Ca -0.00 -0.05 -0.04 0.00 -1.11 0.00 0.00 59.98 58.78 2a1f h ARG 33 Cb 1.01 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.92 2a1f h ARG 33 CO 0.06 0.38 0.11 0.52 -3.11 0.00 0.00 179.97 177.93 2a1f h MET 34 N -0.04 0.66 -0.81 0.20 2.86 -1.25 -2.07 114.93 114.49 2a1f h MET 34 Ca 0.03 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2a1f h MET 34 Cb 0.28 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 2a1f h MET 34 CO 0.00 0.60 0.46 0.00 1.06 0.00 0.00 176.91 179.03 2a1f h ALA 35 N 1.48 1.03 -0.43 6.32 0.00 -1.29 -0.58 119.26 125.78 2a1f h ALA 35 Ca 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2a1f h ALA 35 Cb 0.24 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2a1f h ALA 35 CO -0.00 0.53 0.15 0.28 0.00 0.00 0.00 179.25 180.21 2a1f h VAL 36 N 1.12 1.21 -0.53 0.00 2.07 -1.09 -1.23 116.25 117.80 2a1f h VAL 36 Ca 0.29 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 2a1f h VAL 36 Cb 0.01 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2a1f h VAL 36 CO -0.05 0.25 0.15 -0.33 0.02 0.00 0.00 177.57 177.61 2a1f h GLU 37 N 0.56 0.80 -0.27 1.57 5.08 -1.24 -2.12 114.58 118.95 2a1f h GLU 37 Ca 0.14 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2a1f h GLU 37 Cb 0.23 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2a1f h GLU 37 CO -0.01 0.70 -0.49 0.82 -1.00 0.00 0.00 179.01 179.03 2a1f h ILE 38 N 0.77 1.29 -0.94 3.13 2.04 -0.99 -3.06 117.51 119.76 2a1f h ILE 38 Ca 0.18 -1.68 0.07 0.00 1.00 0.00 0.00 64.86 64.42 2a1f h ILE 38 Cb 0.25 1.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.94 2a1f h ILE 38 CO -0.01 0.54 0.59 0.50 0.00 0.00 0.00 178.15 179.78 2a1f h LYS 39 N 0.57 1.04 -0.95 2.37 3.64 -1.13 -1.60 116.57 120.51 2a1f h LYS 39 Ca 0.01 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2a1f h LYS 39 Cb 1.10 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.63 2a1f h LYS 39 CO 0.11 0.69 0.62 1.05 -2.27 0.00 0.00 179.45 179.65 2a1f h GLU 40 N 1.07 1.17 -0.38 1.90 4.11 -1.31 -1.18 114.58 119.96 2a1f h GLU 40 Ca 0.41 -0.07 -0.13 0.00 0.07 0.00 0.00 59.36 59.64 2a1f h GLU 40 Cb 0.19 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2a1f h GLU 40 CO -0.18 0.78 -0.26 -0.07 0.07 0.00 0.00 179.01 179.34 2a1f h LEU 41 N 1.21 0.89 -0.21 3.06 3.38 -1.23 -3.02 115.31 119.38 2a1f h LEU 41 Ca 0.37 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2a1f h LEU 41 Cb -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2a1f h LEU 41 CO -0.11 1.13 0.10 0.58 0.09 0.00 0.00 178.44 180.23 2a1f h VAL 42 N 0.65 0.99 0.00 1.22 2.07 -1.10 -1.37 116.25 118.71 2a1f h VAL 42 Ca 0.07 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2a1f h VAL 42 Cb 0.84 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2a1f h VAL 42 CO 0.07 0.04 0.00 -1.84 0.02 0.00 0.00 177.57 175.86 2a1f n GLU 43 N -5.00 0.27 -0.39 1.57 0.28 -0.46 -1.01 120.64 115.89 2a1f n GLU 43 Ca -0.03 0.11 0.10 0.00 -0.16 0.00 0.00 57.16 57.19 2a1f n GLU 43 Cb 0.06 -1.50 0.30 0.00 1.43 0.00 0.00 31.44 31.73 2a1f n GLU 43 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2a1f n MET 44 N -1.28 2.96 -0.81 3.44 2.81 -1.02 -4.98 117.12 118.24 2a1f n MET 44 Ca 0.09 -2.62 0.00 0.00 -1.81 0.00 0.00 57.70 53.36 2a1f n MET 44 Cb 0.14 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 2a1f n MET 44 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2a1f n GLY 45 N 1.33 0.73 3.71 3.03 0.00 -0.18 -4.86 105.19 108.95 2a1f n GLY 45 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2a1f n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a1f s VAL 46 N -2.69 4.45 -0.21 1.61 1.01 -0.55 -4.96 120.40 119.06 2a1f s VAL 46 Ca 0.00 1.80 -0.25 0.00 0.00 0.00 0.00 61.98 63.53 2a1f s VAL 46 Cb 0.00 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 2a1f s VAL 46 CO 0.00 0.16 0.84 -1.61 0.00 0.00 0.00 175.10 174.49 2a1f s GLU 47 N 0.87 4.23 -0.17 2.72 2.02 -0.57 -4.10 118.70 123.70 2a1f s GLU 47 Ca 0.54 0.99 0.01 0.00 0.02 0.00 0.00 54.97 56.53 2a1f s GLU 47 Cb -0.25 -3.62 0.01 0.00 0.10 0.00 0.00 34.13 30.38 2a1f s GLU 47 CO 0.29 -0.45 -0.18 0.08 0.02 0.00 0.00 175.26 175.03 2a1f s VAL 48 N 2.58 2.30 0.15 2.63 1.01 -1.26 -1.44 120.40 126.37 2a1f s VAL 48 Ca 0.37 -0.87 0.10 0.00 0.00 0.00 0.00 61.98 61.57 2a1f s VAL 48 Cb -0.16 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2a1f s VAL 48 CO 0.09 0.52 -0.18 -0.94 0.00 0.00 0.00 175.10 174.60 2a1f s SER 49 N 1.17 3.86 -0.06 3.32 1.04 -0.90 -1.89 113.70 120.23 2a1f s SER 49 Ca 0.02 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2a1f s SER 49 Cb -0.14 -0.51 0.02 0.00 0.10 0.00 0.00 66.02 65.49 2a1f s SER 49 CO -0.08 0.15 -0.04 -0.69 0.98 0.00 0.00 173.24 173.56 2a1f s VAL 50 N -1.39 0.55 -0.21 5.02 1.01 0.13 -1.10 120.40 124.40 2a1f s VAL 50 Ca 0.20 -0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.04 2a1f s VAL 50 Cb -0.10 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 2a1f s VAL 50 CO 0.11 0.25 0.06 -0.69 0.00 0.00 0.00 175.10 174.84 2a1f s VAL 51 N 1.30 4.54 -0.07 2.92 1.01 -0.56 0.15 120.40 129.69 2a1f s VAL 51 Ca -0.05 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.83 2a1f s VAL 51 Cb -0.14 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 2a1f s VAL 51 CO -0.02 0.40 -0.08 -0.76 0.00 0.00 0.00 175.10 174.64 2a1f s LEU 52 N 0.98 3.11 0.83 3.92 1.43 -1.23 -0.84 118.68 126.89 2a1f s LEU 52 Ca 0.04 -0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 53.00 2a1f s LEU 52 Cb -0.14 -1.67 0.15 0.00 0.03 0.00 0.00 46.19 44.56 2a1f s LEU 52 CO 0.03 0.35 1.16 -0.83 0.23 0.00 0.00 176.35 177.29 2a1f s GLY 53 N -0.74 1.76 0.00 -3.19 0.00 -0.02 -4.80 107.32 100.32 2a1f s GLY 53 Ca 0.11 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.46 2a1f s GLY 53 CO 0.01 -0.73 0.76 0.61 0.00 0.00 0.00 173.10 173.75 2a1f n GLY 54 N -3.29 0.93 0.11 0.20 0.00 -1.26 -3.55 105.19 98.32 2a1f n GLY 54 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 2a1f n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a1f n GLY 55 N -0.27 -1.18 0.23 -0.02 0.00 -1.26 -1.35 105.19 101.34 2a1f n GLY 55 Ca 0.00 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.21 2a1f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2a1f h ASN 56 N 0.00 0.00 0.00 1.61 -1.07 -1.89 -3.36 115.58 110.87 2a1f h ASN 56 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.18 2a1f h ASN 56 Cb 0.31 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.52 2a1f h ASN 56 CO 0.00 0.17 -1.75 0.18 0.07 0.00 0.00 177.43 176.10 2a1f n LEU 57 N -3.29 0.00 -3.68 6.14 4.77 -0.46 -2.99 117.00 117.48 2a1f n LEU 57 Ca 0.01 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.84 2a1f n LEU 57 Cb 0.43 0.26 -0.15 0.00 -2.33 0.00 0.00 43.42 41.63 2a1f n LEU 57 CO 0.32 0.26 -0.20 0.12 -1.33 0.00 0.00 177.39 176.57 2a1f s PHE 58 N -2.29 -0.26 -0.15 -1.77 5.36 -0.60 -5.06 117.98 113.22 2a1f s PHE 58 Ca -0.05 0.71 0.01 0.00 -0.96 0.00 0.00 56.93 56.64 2a1f s PHE 58 Cb 0.03 -0.14 0.00 0.00 -0.34 0.00 0.00 43.02 42.57 2a1f s PHE 58 CO 0.45 -0.28 -0.17 1.03 -1.46 0.00 0.00 175.22 174.80 2a1f s ARG 59 N 2.07 3.17 0.00 10.12 1.81 -1.26 -4.12 118.95 130.74 2a1f s ARG 59 Ca -0.00 -0.78 0.29 0.00 -1.72 0.00 0.00 55.73 53.52 2a1f s ARG 59 Cb -0.12 -2.57 1.26 0.00 -0.45 0.00 0.00 34.95 33.07 2a1f s ARG 59 CO -0.07 0.03 1.88 0.41 -0.68 0.00 0.00 175.30 176.87 2a1f n GLY 60 N 4.00 -1.01 0.12 -3.53 0.00 -1.26 -4.49 105.19 99.02 2a1f n GLY 60 Ca -0.19 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 2a1f n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1f h ALA 61 N 3.57 -0.06 0.03 4.61 0.00 -1.98 0.20 119.26 125.63 2a1f h ALA 61 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2a1f h ALA 61 Cb 0.35 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2a1f h ALA 61 CO 0.00 -0.56 -0.01 0.87 0.00 0.00 0.00 179.25 179.55 2a1f h LYS 62 N -0.11 -0.04 -0.87 0.00 1.57 -2.00 0.85 116.57 115.96 2a1f h LYS 62 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2a1f h LYS 62 Cb 0.16 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 2a1f h LYS 62 CO -0.09 0.05 0.51 -0.07 -0.57 0.00 0.00 179.45 179.28 2a1f h LEU 63 N -0.12 1.06 -0.56 2.94 3.38 -1.83 -2.25 115.31 117.91 2a1f h LEU 63 Ca -0.00 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2a1f h LEU 63 Cb 0.11 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2a1f h LEU 63 CO 0.01 0.82 0.25 0.00 0.09 0.00 0.00 178.44 179.61 2a1f h ALA 64 N 1.36 0.73 -0.06 1.53 0.00 -0.19 -1.20 119.26 121.43 2a1f h ALA 64 Ca 0.31 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2a1f h ALA 64 Cb -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2a1f h ALA 64 CO -0.06 0.31 -0.09 -0.22 0.00 0.00 0.00 179.25 179.20 2a1f h LYS 65 N 0.77 0.09 0.00 0.00 3.64 -0.58 -0.33 116.57 120.16 2a1f h LYS 65 Ca 0.19 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2a1f h LYS 65 Cb 0.15 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2a1f h LYS 65 CO -0.02 0.18 0.00 0.00 -2.27 0.00 0.00 179.45 177.34 2a1f n ALA 66 N -2.51 2.30 0.00 5.00 0.00 -0.87 -4.92 120.51 119.51 2a1f n ALA 66 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2a1f n ALA 66 Cb 0.19 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2a1f n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a1f n GLY 67 N 1.42 1.38 3.75 0.00 0.00 -0.13 -5.08 105.19 106.53 2a1f n GLY 67 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2a1f n GLY 67 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2a1f s MET 68 N -0.30 4.14 0.14 1.61 0.00 -0.51 -4.91 119.30 119.47 2a1f s MET 68 Ca 0.00 2.54 -0.33 0.00 0.00 0.00 0.00 55.69 57.90 2a1f s MET 68 Cb 0.00 -3.03 -0.12 0.00 0.00 0.00 0.00 34.83 31.68 2a1f s MET 68 CO 0.00 -0.59 1.73 -1.71 0.00 0.00 0.00 175.02 174.45 2a1f n ASN 69 N 2.07 3.69 -0.02 1.11 4.05 -1.26 -4.68 115.26 120.22 2a1f n ASN 69 Ca 0.07 1.04 0.07 0.00 0.45 0.00 0.00 54.58 56.21 2a1f n ASN 69 Cb 0.38 -1.50 0.47 0.00 1.23 0.00 0.00 39.78 40.36 2a1f n ASN 69 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 2a1f h ARG 70 N 7.31 0.45 0.06 1.20 9.65 -1.98 -1.69 114.38 129.38 2a1f h ARG 70 Ca -0.45 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.42 2a1f h ARG 70 Cb 1.23 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.68 2a1f h ARG 70 CO 0.93 0.30 -0.16 0.28 2.80 0.00 0.00 179.97 184.12 2a1f h VAL 71 N 0.46 0.62 -0.61 0.20 2.07 -1.99 0.13 116.25 117.14 2a1f h VAL 71 Ca 0.19 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.76 2a1f h VAL 71 Cb 0.19 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 2a1f h VAL 71 CO -0.05 0.00 0.34 0.58 0.02 0.00 0.00 177.57 178.46 2a1f h VAL 72 N -0.29 0.99 -0.94 2.57 2.07 -1.72 0.78 116.25 119.70 2a1f h VAL 72 Ca 0.03 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.34 2a1f h VAL 72 Cb 0.33 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 2a1f h VAL 72 CO -0.11 0.12 0.63 1.23 0.02 0.00 0.00 177.57 179.45 2a1f h GLY 73 N 0.65 1.33 1.65 2.17 0.00 -0.97 -1.35 103.07 106.55 2a1f h GLY 73 Ca 0.27 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 2a1f h GLY 73 CO -0.16 0.49 -0.33 -0.55 0.00 0.00 0.00 176.54 175.99 2a1f h ASP 74 N 1.28 0.41 -0.64 0.19 3.32 0.42 -2.18 116.42 119.22 2a1f h ASP 74 Ca 0.35 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 2a1f h ASP 74 Cb -0.15 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2a1f h ASP 74 CO -0.07 0.72 0.05 0.45 -1.72 0.00 0.00 179.24 178.67 2a1f h HIS 75 N 0.35 1.18 -0.64 4.55 3.86 -0.46 -1.98 115.15 122.01 2a1f h HIS 75 Ca 0.04 -0.19 -0.05 0.00 -1.16 0.00 0.00 60.37 59.01 2a1f h HIS 75 Cb 0.75 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 2a1f h HIS 75 CO 0.02 1.02 0.19 0.52 0.86 0.00 0.00 177.93 180.54 2a1f h MET 76 N 1.01 1.00 -0.88 2.45 2.86 -1.07 -2.72 114.93 117.58 2a1f h MET 76 Ca 0.19 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2a1f h MET 76 Cb 0.51 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 2a1f h MET 76 CO 0.02 0.89 0.50 0.78 1.06 0.00 0.00 176.91 180.16 2a1f h GLY 77 N 0.93 1.30 0.99 8.32 0.00 -1.27 -2.19 103.07 111.15 2a1f h GLY 77 Ca 0.21 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2a1f h GLY 77 CO -0.00 0.55 0.30 -0.33 0.00 0.00 0.00 176.54 177.05 2a1f h MET 78 N 1.23 0.73 -0.64 4.80 2.86 -1.10 -2.14 114.93 120.67 2a1f h MET 78 Ca 0.31 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.79 2a1f h MET 78 Cb -0.00 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 2a1f h MET 78 CO -0.05 0.56 0.08 -0.07 1.06 0.00 0.00 176.91 178.49 2a1f h LEU 79 N 0.71 1.02 -1.33 1.22 3.38 -1.30 -1.93 115.31 117.08 2a1f h LEU 79 Ca 0.19 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2a1f h LEU 79 Cb 0.03 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2a1f h LEU 79 CO -0.03 1.03 0.48 0.00 0.09 0.00 0.00 178.44 180.01 2a1f h ALA 80 N 1.09 1.61 0.00 1.53 0.00 -1.25 -2.19 119.26 120.05 2a1f h ALA 80 Ca 0.19 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2a1f h ALA 80 Cb 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2a1f h ALA 80 CO 0.02 0.30 -0.20 1.79 0.00 0.00 0.00 179.25 181.16 2a1f h THR 81 N 0.85 0.98 -0.20 0.00 1.35 -0.67 -2.17 112.91 113.04 2a1f h THR 81 Ca 0.30 -0.73 -0.18 0.00 -0.55 0.00 0.00 66.41 65.25 2a1f h THR 81 Cb 0.12 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 2a1f h THR 81 CO -0.09 0.20 -0.61 0.58 -0.25 0.00 0.00 175.52 175.35 2a1f h VAL 82 N 0.00 1.30 -0.42 6.82 2.07 -1.25 -0.99 116.25 123.78 2a1f h VAL 82 Ca -0.00 -1.84 -0.03 0.00 0.82 0.00 0.00 66.70 65.65 2a1f h VAL 82 Cb 0.39 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2a1f h VAL 82 CO 0.03 0.58 0.16 0.24 0.02 0.00 0.00 177.57 178.60 2a1f h MET 83 N 0.51 0.64 -0.92 1.57 2.86 -1.14 -0.41 114.93 118.04 2a1f h MET 83 Ca -0.00 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2a1f h MET 83 Cb 1.19 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.70 2a1f h MET 83 CO 0.12 0.60 0.57 -0.91 1.06 0.00 0.00 176.91 178.36 2a1f h ASN 84 N 0.54 1.08 -0.83 1.22 2.35 -1.36 -2.41 115.58 116.17 2a1f h ASN 84 Ca 0.14 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2a1f h ASN 84 Cb 0.21 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 2a1f h ASN 84 CO -0.01 0.82 0.53 1.23 -1.65 0.00 0.00 177.43 178.34 2a1f h GLY 85 N 1.26 1.19 1.06 2.83 0.00 -0.80 -0.52 103.07 108.08 2a1f h GLY 85 Ca 0.33 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 2a1f h GLY 85 CO -0.07 0.46 -0.18 1.41 0.00 0.00 0.00 176.54 178.17 2a1f h LEU 86 N 1.14 0.93 -0.40 3.11 3.38 -0.88 0.24 115.31 122.83 2a1f h LEU 86 Ca 0.30 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2a1f h LEU 86 Cb -0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 2a1f h LEU 86 CO -0.06 1.11 0.17 0.00 0.09 0.00 0.00 178.44 179.75 2a1f h ALA 87 N 0.85 0.51 -0.47 1.53 0.00 -1.20 -1.63 119.26 118.85 2a1f h ALA 87 Ca 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2a1f h ALA 87 Cb 0.74 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2a1f h ALA 87 CO 0.06 0.11 0.25 1.98 0.00 0.00 0.00 179.25 181.65 2a1f h MET 88 N 0.50 0.67 -0.42 0.00 1.85 -0.97 0.24 114.93 116.80 2a1f h MET 88 Ca 0.13 -0.08 0.02 0.00 -0.61 0.00 0.00 59.70 59.16 2a1f h MET 88 Cb 0.17 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 32.04 2a1f h MET 88 CO -0.01 0.53 0.24 -0.09 -0.40 0.00 0.00 176.91 177.18 2a1f h ARG 89 N 0.63 0.47 -0.73 0.39 2.43 -0.81 -0.21 114.38 116.55 2a1f h ARG 89 Ca 0.17 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2a1f h ARG 89 Cb 0.07 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 2a1f h ARG 89 CO -0.03 0.31 0.27 0.22 -1.51 0.00 0.00 179.97 179.24 2a1f h ASP 90 N 0.49 1.02 -0.73 -3.80 3.58 -1.08 -1.55 116.42 114.35 2a1f h ASP 90 Ca 0.17 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2a1f h ASP 90 Cb 0.03 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.78 2a1f h ASP 90 CO -0.09 0.92 0.36 -1.28 -2.88 0.00 0.00 179.24 176.27 2a1f h SER 91 N 1.07 0.94 -0.42 2.28 0.87 -0.50 -1.36 113.55 116.44 2a1f h SER 91 Ca 0.24 -0.13 -0.13 0.00 -1.23 0.00 0.00 61.79 60.54 2a1f h SER 91 Cb 0.23 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2a1f h SER 91 CO -0.02 0.80 -0.26 -0.07 -0.53 0.00 0.00 176.83 176.75 2a1f h LEU 92 N 1.01 0.96 -0.46 2.23 3.38 -0.80 -2.08 115.31 119.55 2a1f h LEU 92 Ca 0.25 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2a1f h LEU 92 Cb 0.10 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2a1f h LEU 92 CO -0.03 1.17 0.25 0.15 0.09 0.00 0.00 178.44 180.07 2a1f h PHE 93 N 0.75 0.62 0.00 1.13 3.57 -1.14 0.19 116.94 122.06 2a1f h PHE 93 Ca 0.09 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2a1f h PHE 93 Cb 0.84 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 2a1f h PHE 93 CO 0.06 0.46 -0.05 0.00 -2.23 0.00 0.00 178.31 176.55 2a1f h ARG 94 N 0.60 0.00 -0.41 1.11 3.08 -1.10 -1.14 114.38 116.52 2a1f h ARG 94 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2a1f h ARG 94 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2a1f h ARG 94 CO -0.03 0.05 0.00 0.00 -1.07 0.00 0.00 179.97 178.92 2a1f n ALA 95 N -2.38 2.60 -3.73 0.04 0.00 -0.79 -4.94 120.51 111.30 2a1f n ALA 95 Ca -0.03 -0.49 -0.26 0.00 0.00 0.00 0.00 53.44 52.66 2a1f n ALA 95 Cb 0.14 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.65 2a1f n ALA 95 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2a1f n ASP 96 N 0.22 -5.61 -4.48 0.00 10.43 -0.43 -5.02 116.55 111.66 2a1f n ASP 96 Ca 0.08 -0.64 -0.34 0.00 2.57 0.00 0.00 54.79 56.46 2a1f n ASP 96 Cb 0.30 -4.55 -0.12 0.00 1.84 0.00 0.00 41.12 38.59 2a1f n ASP 96 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2a1f s VAL 97 N -3.32 3.84 -0.20 2.53 1.01 0.63 -5.01 120.40 119.88 2a1f s VAL 97 Ca 0.60 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.92 2a1f s VAL 97 Cb -0.28 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 2a1f s VAL 97 CO 0.77 0.49 2.02 0.21 0.00 0.00 0.00 175.10 178.59 2a1f s ASN 98 N 0.45 5.81 0.00 3.32 3.84 -1.26 -3.64 114.94 123.46 2a1f s ASN 98 Ca -0.04 1.87 -0.02 0.00 0.21 0.00 0.00 52.86 54.88 2a1f s ASN 98 Cb -0.14 -2.52 -0.01 0.00 -0.55 0.00 0.00 41.25 38.03 2a1f s ASN 98 CO 0.03 -1.68 0.04 0.00 -2.79 0.00 0.00 177.10 172.70 2a1f s ALA 99 N 7.03 -0.07 0.03 1.71 0.00 -1.26 -1.43 121.76 127.76 2a1f s ALA 99 Ca 0.91 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.71 2a1f s ALA 99 Cb -0.31 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2a1f s ALA 99 CO 0.35 -0.12 -0.13 0.15 0.00 0.00 0.00 175.76 176.01 2a1f s LYS 100 N -0.86 0.91 -0.17 0.00 -0.14 -0.20 -4.96 119.74 114.32 2a1f s LYS 100 Ca -0.09 -0.67 -0.03 0.00 -1.36 0.00 0.00 55.97 53.82 2a1f s LYS 100 Cb -0.06 -0.90 -0.02 0.00 -1.68 0.00 0.00 37.83 35.18 2a1f s LYS 100 CO -0.00 0.23 -0.06 -1.17 -0.76 0.00 0.00 175.35 173.58 2a1f s LEU 101 N -0.94 2.96 -0.03 3.17 2.96 -1.26 -0.92 118.68 124.62 2a1f s LEU 101 Ca 0.02 -0.29 0.05 0.00 -0.22 0.00 0.00 54.13 53.69 2a1f s LEU 101 Cb -0.07 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 2a1f s LEU 101 CO 0.01 0.09 -0.17 -0.04 -1.32 0.00 0.00 176.35 174.92 2a1f s MET 102 N 0.82 2.36 0.02 1.98 -1.94 0.03 -1.51 119.30 121.05 2a1f s MET 102 Ca -0.02 -0.79 0.08 0.00 -1.71 0.00 0.00 55.69 53.25 2a1f s MET 102 Cb -0.15 -2.29 -0.02 0.00 2.01 0.00 0.00 34.83 34.38 2a1f s MET 102 CO 0.01 0.60 -0.24 0.45 -0.01 0.00 0.00 175.02 175.83 2a1f s SER 103 N -0.87 2.84 0.50 3.03 0.15 -0.27 -1.22 113.70 117.85 2a1f s SER 103 Ca 0.12 -0.51 0.15 0.00 0.70 0.00 0.00 55.95 56.42 2a1f s SER 103 Cb -0.10 -0.28 1.21 0.00 -1.71 0.00 0.00 66.02 65.13 2a1f s SER 103 CO 0.01 0.25 2.11 0.00 1.20 0.00 0.00 173.24 176.82 2a1f h ALA 104 N 5.12 2.00 -3.02 5.45 0.00 -1.61 0.42 119.26 127.62 2a1f h ALA 104 Ca -0.43 -0.01 -0.61 0.00 0.00 0.00 0.00 54.91 53.86 2a1f h ALA 104 Cb 1.14 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.81 2a1f h ALA 104 CO 0.45 -0.02 -0.39 -0.06 0.00 0.00 0.00 179.25 179.22 2a1f s PHE 105 N -5.15 3.50 -0.04 0.00 2.99 -1.26 -4.79 117.98 113.23 2a1f s PHE 105 Ca -0.06 0.54 -0.34 0.00 0.00 0.00 0.00 56.93 57.08 2a1f s PHE 105 Cb 0.17 -2.20 -0.12 0.00 0.00 0.00 0.00 43.02 40.88 2a1f s PHE 105 CO 0.69 0.39 1.86 0.94 -0.00 0.00 0.00 175.22 179.10 2a1f n GLN 106 N 3.08 2.27 -3.74 0.44 7.27 -1.26 -4.82 117.38 120.61 2a1f n GLN 106 Ca -0.15 0.83 -0.28 0.00 0.07 0.00 0.00 57.00 57.47 2a1f n GLN 106 Cb 0.53 -2.68 -0.12 0.00 2.41 0.00 0.00 30.24 30.37 2a1f n GLN 106 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2a1f s LEU 107 N 3.76 3.56 0.06 1.69 1.43 -1.26 -5.08 118.68 122.83 2a1f s LEU 107 Ca 0.91 -3.38 -0.30 0.00 -1.03 0.00 0.00 54.13 50.32 2a1f s LEU 107 Cb -0.66 -1.23 -0.09 0.00 0.03 0.00 0.00 46.19 44.24 2a1f s LEU 107 CO 0.49 -0.15 1.90 0.20 0.23 0.00 0.00 176.35 179.02 2a1f s ASN 108 N -0.67 6.46 0.00 2.29 0.02 -1.26 -1.61 114.94 120.16 2a1f s ASN 108 Ca 0.25 2.67 0.00 0.00 -1.02 0.00 0.00 52.86 54.76 2a1f s ASN 108 Cb -0.08 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.65 2a1f s ASN 108 CO -0.13 -1.03 0.00 0.61 0.02 0.00 0.00 177.10 176.57 2a1f n GLY 109 N 4.41 1.53 0.41 0.66 0.00 -1.26 -4.87 105.19 106.07 2a1f n GLY 109 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 2a1f n GLY 109 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2a1f n ILE 110 N -2.00 1.06 -3.56 -0.61 5.41 -0.63 -5.11 119.36 113.92 2a1f n ILE 110 Ca 0.00 -0.26 -0.06 0.00 1.00 0.00 0.00 62.75 63.42 2a1f n ILE 110 Cb 0.00 -1.77 0.02 0.00 -0.71 0.00 0.00 39.64 37.18 2a1f n ILE 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2a1f s ASP 112 N -2.44 6.36 0.17 0.00 1.11 -0.57 -4.49 116.67 116.81 2a1f s ASP 112 Ca 0.11 1.77 -0.24 0.00 0.18 0.00 0.00 52.55 54.38 2a1f s ASP 112 Cb -0.03 -2.54 -0.08 0.00 1.07 0.00 0.00 42.92 41.34 2a1f s ASP 112 CO 0.08 -0.77 0.75 -0.89 1.18 0.00 0.00 175.17 175.53 2a1f s THR 113 N -2.29 4.44 0.25 -1.27 2.01 -1.26 -1.12 115.64 116.40 2a1f s THR 113 Ca 0.63 1.57 -0.30 0.00 0.31 0.00 0.00 61.69 63.91 2a1f s THR 113 Cb -0.13 -4.05 -0.10 0.00 0.01 0.00 0.00 72.50 68.22 2a1f s THR 113 CO 0.26 0.45 1.42 -0.47 -0.69 0.00 0.00 174.62 175.60 2a1f s TYR 114 N -1.23 3.03 -0.21 4.92 5.04 0.14 -4.71 117.35 124.33 2a1f s TYR 114 Ca 0.37 1.06 -0.07 0.00 -2.44 0.00 0.00 57.07 55.99 2a1f s TYR 114 Cb -0.21 -3.80 0.09 0.00 0.35 0.00 0.00 41.96 38.39 2a1f s TYR 114 CO 0.24 -2.57 0.44 1.21 -1.34 0.00 0.00 175.55 173.54 2a1f s ASN 115 N 0.32 -0.36 0.23 4.32 3.84 -1.26 -4.98 114.94 117.04 2a1f s ASN 115 Ca 0.59 1.04 -0.08 0.00 0.21 0.00 0.00 52.86 54.62 2a1f s ASN 115 Cb -0.41 1.40 0.20 0.00 -0.55 0.00 0.00 41.25 41.89 2a1f s ASN 115 CO 0.43 -0.23 1.90 4.11 -2.79 0.00 0.00 177.10 180.53 2a1f h TRP 116 N 8.07 1.10 0.14 0.43 5.08 -1.95 -0.43 115.95 128.39 2a1f h TRP 116 Ca -0.18 0.03 -0.28 0.00 1.08 0.00 0.00 58.89 59.54 2a1f h TRP 116 Cb 1.11 -0.37 0.01 0.00 -3.00 0.00 0.00 29.16 26.91 2a1f h TRP 116 CO 0.27 0.69 -1.25 0.66 -1.28 0.00 0.00 178.44 177.53 2a1f h SER 117 N 1.18 0.54 -0.95 0.11 4.64 -1.98 -1.71 113.55 115.39 2a1f h SER 117 Ca 0.32 -0.56 0.04 0.00 -0.47 0.00 0.00 61.79 61.12 2a1f h SER 117 Cb -0.14 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 61.72 2a1f h SER 117 CO -0.07 1.42 0.62 -0.33 -0.87 0.00 0.00 176.83 177.60 2a1f h GLU 118 N 0.12 1.15 -0.45 4.77 4.39 -1.97 -1.06 114.58 121.53 2a1f h GLU 118 Ca -0.15 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.42 2a1f h GLU 118 Cb 1.95 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 30.33 2a1f h GLU 118 CO 0.21 0.76 0.04 0.00 -1.16 0.00 0.00 179.01 178.87 2a1f h ALA 119 N 1.45 0.61 -0.64 3.43 0.00 -0.94 -1.70 119.26 121.46 2a1f h ALA 119 Ca 0.38 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2a1f h ALA 119 Cb 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2a1f h ALA 119 CO -0.12 0.36 0.42 0.82 0.00 0.00 0.00 179.25 180.74 2a1f h ILE 120 N 0.63 1.16 -0.36 0.00 2.04 -1.16 -0.85 117.51 118.96 2a1f h ILE 120 Ca 0.13 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.72 2a1f h ILE 120 Cb 0.43 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2a1f h ILE 120 CO 0.01 0.16 0.20 0.11 0.00 0.00 0.00 178.15 178.63 2a1f h LYS 121 N 0.86 0.40 -0.92 2.37 1.57 -1.01 -1.50 116.57 118.33 2a1f h LYS 121 Ca 0.24 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2a1f h LYS 121 Cb -0.09 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.09 2a1f h LYS 121 CO -0.06 0.26 0.55 0.52 -0.57 0.00 0.00 179.45 180.16 2a1f h MET 122 N 0.41 1.25 -0.75 3.15 2.86 -1.03 -1.64 114.93 119.19 2a1f h MET 122 Ca 0.15 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2a1f h MET 122 Cb 0.03 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.39 2a1f h MET 122 CO -0.08 0.88 0.34 -0.07 1.06 0.00 0.00 176.91 179.04 2a1f h LEU 123 N 1.27 1.00 -1.11 1.22 3.38 -0.66 -1.55 115.31 118.86 2a1f h LEU 123 Ca 0.33 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 2a1f h LEU 123 Cb -0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2a1f h LEU 123 CO -0.06 0.87 -0.20 0.03 0.09 0.00 0.00 178.44 179.17 2a1f h ARG 124 N 1.07 0.39 0.00 1.13 3.08 -1.06 -1.69 114.38 117.30 2a1f h ARG 124 Ca 0.26 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2a1f h ARG 124 Cb 0.15 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2a1f h ARG 124 CO -0.03 0.58 0.00 0.39 -1.07 0.00 0.00 179.97 179.84 2a1f n GLU 125 N -4.17 0.67 -2.28 0.04 1.02 -0.64 -4.85 120.64 110.43 2a1f n GLU 125 Ca -0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2a1f n GLU 125 Cb 0.35 -1.28 -0.00 0.00 -0.02 0.00 0.00 31.44 30.49 2a1f n GLU 125 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2a1f n LYS 126 N -0.78 -1.19 -3.56 3.49 5.02 -0.63 -5.02 118.16 115.49 2a1f n LYS 126 Ca 0.09 0.63 -0.36 0.00 -2.02 0.00 0.00 58.31 56.65 2a1f n LYS 126 Cb 0.04 -4.86 -0.06 0.00 -0.02 0.00 0.00 35.03 30.13 2a1f n LYS 126 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2a1f s ARG 127 N -4.70 3.82 0.06 1.97 0.52 -0.63 -4.87 118.95 115.12 2a1f s ARG 127 Ca 0.01 0.27 -0.30 0.00 -0.52 0.00 0.00 55.73 55.19 2a1f s ARG 127 Cb -0.01 -3.11 -0.06 0.00 0.52 0.00 0.00 34.95 32.30 2a1f s ARG 127 CO 0.02 0.63 1.18 0.08 0.02 0.00 0.00 175.30 177.23 2a1f s VAL 128 N -1.23 4.09 -0.21 3.52 1.01 -0.52 -4.21 120.40 122.86 2a1f s VAL 128 Ca 0.28 1.52 -0.03 0.00 0.00 0.00 0.00 61.98 63.75 2a1f s VAL 128 Cb -0.15 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 2a1f s VAL 128 CO 0.15 0.13 -0.09 -0.69 0.00 0.00 0.00 175.10 174.60 2a1f s VAL 129 N 0.99 3.01 -0.21 2.92 1.01 -0.79 -1.04 120.40 126.29 2a1f s VAL 129 Ca 0.58 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.84 2a1f s VAL 129 Cb -0.29 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 2a1f s VAL 129 CO 0.29 0.45 0.13 -0.63 0.00 0.00 0.00 175.10 175.35 2a1f s ILE 130 N 1.43 5.37 -0.20 2.22 1.01 -0.10 -0.70 121.20 130.23 2a1f s ILE 130 Ca 0.06 0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.82 2a1f s ILE 130 Cb -0.14 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 2a1f s ILE 130 CO -0.06 0.42 0.03 -0.36 0.00 0.00 0.00 174.94 174.98 2a1f s PHE 131 N 0.50 3.12 0.28 3.97 0.40 0.12 -0.79 117.98 125.58 2a1f s PHE 131 Ca 0.08 -0.25 0.04 0.00 -0.60 0.00 0.00 56.93 56.20 2a1f s PHE 131 Cb -0.12 -2.10 -0.06 0.00 0.51 0.00 0.00 43.02 41.25 2a1f s PHE 131 CO -0.01 -0.11 0.01 -1.54 0.70 0.00 0.00 175.22 174.28 2a1f s SER 132 N 0.86 2.25 -0.91 1.36 1.04 -0.36 -3.47 113.70 114.47 2a1f s SER 132 Ca 0.02 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.17 2a1f s SER 132 Cb -0.14 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.92 2a1f s SER 132 CO 0.02 -0.52 0.00 0.00 0.98 0.00 0.00 173.24 173.72 2a1f n ALA 133 N -0.57 -0.13 -0.59 5.32 0.00 -1.25 -1.89 120.51 121.39 2a1f n ALA 133 Ca -0.04 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2a1f n ALA 133 Cb 0.65 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2a1f n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a1f n GLY 134 N -1.76 3.22 0.88 0.00 0.00 -1.26 -1.68 105.19 104.59 2a1f n GLY 134 Ca -0.09 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.04 2a1f n GLY 134 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a1f n THR 135 N 0.00 0.14 -0.28 2.61 -2.24 -1.26 -4.53 114.28 108.72 2a1f n THR 135 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2a1f n THR 135 Cb 0.00 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 2a1f n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a1f n GLY 136 N 1.34 1.61 3.44 3.38 0.00 -0.68 -5.00 105.19 109.29 2a1f n GLY 136 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2a1f n GLY 136 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2a1f s ASN 137 N -3.25 3.71 1.03 1.61 0.01 -1.26 -5.08 114.94 111.72 2a1f s ASN 137 Ca 0.00 -0.46 -0.15 0.00 -0.71 0.00 0.00 52.86 51.54 2a1f s ASN 137 Cb 0.00 -0.56 0.21 0.00 0.41 0.00 0.00 41.25 41.30 2a1f s ASN 137 CO 0.00 0.25 1.14 -2.16 -1.51 0.00 0.00 177.10 174.82 2a1f s PRO 138 N -1.45 0.15 -0.83 -0.60 0.04 -1.26 -4.24 135.00 126.81 2a1f s PRO 138 Ca 0.14 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.33 2a1f s PRO 138 Cb -0.10 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2a1f s PRO 138 CO 0.05 -2.84 0.00 1.19 0.04 0.00 0.00 177.00 175.44 2a1f n PHE 139 N -4.18 0.00 -4.45 0.56 3.72 -1.26 -4.99 117.46 106.86 2a1f n PHE 139 Ca 0.09 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.23 2a1f n PHE 139 Cb 0.59 -2.06 -0.17 0.00 -0.94 0.00 0.00 39.48 36.90 2a1f n PHE 139 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2a1f s PHE 140 N -1.95 1.67 0.85 1.38 0.40 -1.26 -5.14 117.98 113.94 2a1f s PHE 140 Ca 0.00 -0.72 -0.12 0.00 -0.60 0.00 0.00 56.93 55.49 2a1f s PHE 140 Cb 0.00 -1.24 0.10 0.00 0.51 0.00 0.00 43.02 42.39 2a1f s PHE 140 CO 0.00 -0.39 1.14 0.95 0.70 0.00 0.00 175.22 177.62 2a1f s THR 141 N 0.93 2.30 0.40 0.64 -4.23 -1.26 -4.90 115.64 109.51 2a1f s THR 141 Ca -0.09 0.10 0.13 0.00 -1.18 0.00 0.00 61.69 60.64 2a1f s THR 141 Cb -0.15 -2.93 0.13 0.00 1.34 0.00 0.00 72.50 70.90 2a1f s THR 141 CO 0.00 -0.13 1.90 0.74 -0.54 0.00 0.00 174.62 176.59 2a1f h THR 142 N -1.25 1.20 -0.52 3.99 2.02 -1.99 -2.19 112.91 114.18 2a1f h THR 142 Ca -0.48 -0.96 -0.06 0.00 0.77 0.00 0.00 66.41 65.68 2a1f h THR 142 Cb 1.31 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 69.18 2a1f h THR 142 CO 0.63 0.28 0.09 0.44 0.37 0.00 0.00 175.52 177.33 2a1f h ASP 143 N 0.04 0.75 -0.49 4.18 3.32 -1.99 -0.61 116.42 121.63 2a1f h ASP 143 Ca 0.01 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.82 2a1f h ASP 143 Cb 0.49 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2a1f h ASP 143 CO 0.04 0.76 -0.03 0.28 -1.72 0.00 0.00 179.24 178.56 2a1f h SER 144 N 0.77 0.91 0.04 6.45 0.02 -1.76 -2.32 113.55 117.65 2a1f h SER 144 Ca 0.17 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2a1f h SER 144 Cb 0.33 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2a1f h SER 144 CO 0.00 0.99 -0.02 0.74 -1.14 0.00 0.00 176.83 177.41 2a1f h THR 145 N 0.85 0.97 -0.46 -2.27 2.02 -1.01 -1.13 112.91 111.89 2a1f h THR 145 Ca 0.15 -0.03 0.09 0.00 0.77 0.00 0.00 66.41 67.39 2a1f h THR 145 Cb 0.55 0.99 -0.08 0.00 -1.74 0.00 0.00 68.15 67.88 2a1f h THR 145 CO 0.03 0.01 -0.02 0.00 0.37 0.00 0.00 175.52 175.91 2a1f h ALA 146 N 0.91 0.41 -0.45 6.16 0.00 -1.04 0.63 119.26 125.87 2a1f h ALA 146 Ca -0.00 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2a1f h ALA 146 Cb 0.05 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2a1f h ALA 146 CO 0.01 -0.40 0.03 0.00 0.00 0.00 0.00 179.25 178.89 2a1f h LEU 148 N 0.63 0.44 -0.49 0.00 5.85 -0.96 -1.47 115.31 119.31 2a1f h LEU 148 Ca 0.13 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 2a1f h LEU 148 Cb 0.45 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2a1f h LEU 148 CO 0.02 0.61 0.05 0.03 -0.34 0.00 0.00 178.44 178.81 2a1f h ARG 149 N 0.26 0.83 -0.31 1.25 2.47 -0.85 -1.43 114.38 116.59 2a1f h ARG 149 Ca 0.08 -0.24 0.05 0.00 -1.26 0.00 0.00 59.98 58.62 2a1f h ARG 149 Cb 0.36 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.55 2a1f h ARG 149 CO 0.01 0.84 0.01 0.78 0.56 0.00 0.00 179.97 182.17 2a1f h GLY 150 N 0.70 0.31 0.96 0.04 0.00 -0.99 -0.27 103.07 103.82 2a1f h GLY 150 Ca 0.15 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 2a1f h GLY 150 CO 0.01 -0.06 0.12 -2.22 0.00 0.00 0.00 176.54 174.39 2a1f h ILE 151 N 0.10 1.09 -0.73 2.60 2.04 -1.17 -0.54 117.51 120.90 2a1f h ILE 151 Ca 0.15 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 2a1f h ILE 151 Cb 0.20 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2a1f h ILE 151 CO -0.25 0.09 0.36 -0.33 0.00 0.00 0.00 178.15 178.02 2a1f h GLU 152 N 0.24 1.04 -0.41 2.37 5.08 -0.65 -2.60 114.58 119.65 2a1f h GLU 152 Ca 0.07 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2a1f h GLU 152 Cb 0.04 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.10 2a1f h GLU 152 CO -0.01 0.81 0.00 0.44 -1.00 0.00 0.00 179.01 179.25 2a1f n ILE 153 N -4.43 0.54 -3.34 3.13 -6.64 -0.17 -4.91 119.36 103.55 2a1f n ILE 153 Ca 0.06 -0.58 -0.16 0.00 -1.77 0.00 0.00 62.75 60.29 2a1f n ILE 153 Cb 0.12 0.38 0.08 0.00 -1.44 0.00 0.00 39.64 38.79 2a1f n ILE 153 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 2a1f n GLU 154 N 0.82 -6.25 -2.53 6.28 1.02 -0.91 -4.90 120.64 114.17 2a1f n GLU 154 Ca 0.16 0.78 -0.35 0.00 -0.02 0.00 0.00 57.16 57.73 2a1f n GLU 154 Cb 0.40 -5.61 -0.04 0.00 -0.02 0.00 0.00 31.44 26.18 2a1f n GLU 154 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2a1f s ALA 155 N -3.33 2.97 0.06 0.62 0.00 -0.26 -4.93 121.76 116.90 2a1f s ALA 155 Ca 0.06 0.66 0.21 0.00 0.00 0.00 0.00 51.96 52.89 2a1f s ALA 155 Cb -0.03 -3.27 0.68 0.00 0.00 0.00 0.00 23.12 20.50 2a1f s ALA 155 CO 0.67 -0.29 1.72 -0.44 0.00 0.00 0.00 175.76 177.43 2a1f h ASP 156 N 1.99 0.00 -4.83 0.00 3.32 -1.23 -3.46 116.42 112.21 2a1f h ASP 156 Ca -0.49 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.53 2a1f h ASP 156 Cb 1.22 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.58 2a1f h ASP 156 CO 0.60 0.31 0.26 0.54 -1.72 0.00 0.00 179.24 179.23 2a1f s VAL 157 N -3.49 0.00 -0.29 -1.35 0.11 -1.25 -4.44 120.40 109.69 2a1f s VAL 157 Ca 0.01 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.98 2a1f s VAL 157 Cb 0.10 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 2a1f s VAL 157 CO 0.67 0.00 0.11 -0.69 -3.33 0.00 0.00 175.10 171.86 2a1f s VAL 158 N -1.40 4.30 -0.52 2.04 1.01 -0.38 -1.88 120.40 123.57 2a1f s VAL 158 Ca -0.08 -0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.21 2a1f s VAL 158 Cb -0.00 -3.16 0.05 0.00 0.00 0.00 0.00 36.38 33.26 2a1f s VAL 158 CO 0.06 0.13 0.78 -0.76 0.00 0.00 0.00 175.10 175.31 2a1f s LEU 159 N 1.57 4.53 -0.79 3.92 1.43 0.57 -1.39 118.68 128.51 2a1f s LEU 159 Ca 0.04 -0.61 -0.20 0.00 -1.03 0.00 0.00 54.13 52.34 2a1f s LEU 159 Cb -0.17 -2.65 0.11 0.00 0.03 0.00 0.00 46.19 43.51 2a1f s LEU 159 CO 0.04 -1.04 1.00 -0.75 0.23 0.00 0.00 176.35 175.83 2a1f s LYS 160 N 3.27 3.36 0.14 1.70 2.20 0.11 -0.82 119.74 129.69 2a1f s LYS 160 Ca 0.23 -1.42 -0.31 0.00 -0.36 0.00 0.00 55.97 54.11 2a1f s LYS 160 Cb -0.16 -4.58 -0.09 0.00 -1.51 0.00 0.00 37.83 31.49 2a1f s LYS 160 CO 0.16 -1.74 1.45 0.00 -0.36 0.00 0.00 175.35 174.86 2a1f s ALA 161 N 3.05 3.66 0.01 3.13 0.00 -0.79 -2.42 121.76 128.41 2a1f s ALA 161 Ca 0.26 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.44 2a1f s ALA 161 Cb -0.12 -3.57 -0.00 0.00 0.00 0.00 0.00 23.12 19.43 2a1f s ALA 161 CO -0.01 -0.68 0.00 0.25 0.00 0.00 0.00 175.76 175.33 2a1f n THR 162 N 3.83 0.00 0.30 0.00 -2.24 0.65 -4.46 114.28 112.35 2a1f n THR 162 Ca 0.12 -0.06 0.09 0.00 -2.27 0.00 0.00 64.05 61.93 2a1f n THR 162 Cb 0.41 0.02 0.15 0.00 -2.10 0.00 0.00 70.33 68.81 2a1f n THR 162 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2a1f n LYS 163 N -0.02 2.05 -4.58 -0.78 4.76 -1.26 -1.80 118.16 116.53 2a1f n LYS 163 Ca -0.00 -1.92 -0.27 0.00 -2.87 0.00 0.00 58.31 53.25 2a1f n LYS 163 Cb 0.02 -1.38 -0.11 0.00 -1.84 0.00 0.00 35.03 31.72 2a1f n LYS 163 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2a1f s VAL 164 N -1.28 1.74 0.16 -0.18 -7.23 -1.26 -4.89 120.40 107.46 2a1f s VAL 164 Ca 0.28 -2.00 0.18 0.00 -1.81 0.00 0.00 61.98 58.63 2a1f s VAL 164 Cb 0.17 -2.90 0.13 0.00 0.56 0.00 0.00 36.38 34.34 2a1f s VAL 164 CO 0.24 0.00 1.72 0.44 -0.31 0.00 0.00 175.10 177.19 2a1f h ASP 165 N 1.84 0.00 0.00 4.85 3.45 -1.93 -2.79 116.42 121.83 2a1f h ASP 165 Ca -0.43 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.03 2a1f h ASP 165 Cb 1.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.01 2a1f h ASP 165 CO 0.78 0.38 0.00 0.61 -1.57 0.00 0.00 179.24 179.44 2a1f n GLY 166 N 0.26 -0.83 3.66 2.75 0.00 -1.26 -4.00 105.19 105.77 2a1f n GLY 166 Ca -0.00 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 2a1f n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a1f s VAL 167 N -4.00 5.06 0.56 1.61 1.01 -1.26 -4.95 120.40 118.42 2a1f s VAL 167 Ca 0.00 1.08 0.05 0.00 0.00 0.00 0.00 61.98 63.11 2a1f s VAL 167 Cb 0.00 -3.90 0.05 0.00 0.00 0.00 0.00 36.38 32.53 2a1f s VAL 167 CO 0.00 0.15 0.42 -0.31 0.00 0.00 0.00 175.10 175.36 2a1f s TYR 168 N 1.74 1.52 0.32 5.22 1.51 -1.26 -0.68 117.35 125.72 2a1f s TYR 168 Ca 0.27 -0.87 0.07 0.00 -1.01 0.00 0.00 57.07 55.53 2a1f s TYR 168 Cb -0.16 -1.90 0.54 0.00 -0.11 0.00 0.00 41.96 40.34 2a1f s TYR 168 CO 0.10 -0.53 1.76 -0.44 -1.11 0.00 0.00 175.55 175.33 2a1f h ASP 169 N 0.70 0.26 0.00 2.29 3.32 -1.86 -3.46 116.42 117.67 2a1f h ASP 169 Ca -0.36 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2a1f h ASP 169 Cb 1.31 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2a1f h ASP 169 CO 0.56 0.57 0.00 0.00 -1.72 0.00 0.00 179.24 178.66 2a1f n ALA 178 N -2.97 2.97 -2.67 0.00 0.00 -1.26 -5.13 120.51 111.45 2a1f n ALA 178 Ca 0.00 -3.75 -0.38 0.00 0.00 0.00 0.00 53.44 49.30 2a1f n ALA 178 Cb 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 19.45 18.50 2a1f n ALA 178 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2a1f s LYS 179 N -1.28 3.78 0.04 0.00 2.20 -1.26 -5.07 119.74 118.16 2a1f s LYS 179 Ca 0.35 -0.43 -0.30 0.00 -0.36 0.00 0.00 55.97 55.22 2a1f s LYS 179 Cb 0.12 -3.63 -0.06 0.00 -1.51 0.00 0.00 37.83 32.76 2a1f s LYS 179 CO -0.11 -0.25 1.26 -1.17 -0.36 0.00 0.00 175.35 174.72 2a1f s LEU 180 N 1.72 4.35 0.42 5.43 2.96 -1.26 -2.30 118.68 130.00 2a1f s LEU 180 Ca 0.07 2.04 -0.18 0.00 -0.22 0.00 0.00 54.13 55.84 2a1f s LEU 180 Cb -0.16 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.86 2a1f s LEU 180 CO 0.10 -0.55 0.89 -0.31 -1.32 0.00 0.00 176.35 175.15 2a1f s TYR 181 N 1.46 3.37 -0.12 5.38 1.51 0.15 -5.00 117.35 124.10 2a1f s TYR 181 Ca 0.60 1.44 0.05 0.00 -1.01 0.00 0.00 57.07 58.15 2a1f s TYR 181 Cb -0.30 -2.73 -0.11 0.00 -0.11 0.00 0.00 41.96 38.71 2a1f s TYR 181 CO 0.28 -0.11 -0.04 1.17 -1.11 0.00 0.00 175.55 175.73 2a1f n LYS 182 N -0.81 1.29 -4.03 -0.62 4.81 -1.26 -4.44 118.16 113.10 2a1f n LYS 182 Ca 0.06 0.04 -0.14 0.00 -0.87 0.00 0.00 58.31 57.39 2a1f n LYS 182 Cb 0.54 -1.27 -0.14 0.00 0.02 0.00 0.00 35.03 34.18 2a1f n LYS 182 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2a1f s ASN 183 N -4.81 0.35 -0.03 3.14 0.01 -1.26 -0.87 114.94 111.48 2a1f s ASN 183 Ca -0.12 -0.07 -0.11 0.00 -0.71 0.00 0.00 52.86 51.86 2a1f s ASN 183 Cb 0.04 -0.04 0.02 0.00 0.41 0.00 0.00 41.25 41.68 2a1f s ASN 183 CO 0.37 0.03 0.24 -0.76 -1.51 0.00 0.00 177.10 175.47 2a1f s LEU 184 N -0.12 1.14 0.55 0.60 1.43 -0.53 -4.95 118.68 116.80 2a1f s LEU 184 Ca 0.01 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 2a1f s LEU 184 Cb -0.01 0.96 0.03 0.00 0.03 0.00 0.00 46.19 47.20 2a1f s LEU 184 CO -0.00 -0.33 0.79 -0.94 0.23 0.00 0.00 176.35 176.10 2a1f s SER 185 N -0.96 5.32 0.22 2.29 1.04 -1.26 -1.77 113.70 118.58 2a1f s SER 185 Ca -0.10 0.10 -0.07 0.00 0.48 0.00 0.00 55.95 56.35 2a1f s SER 185 Cb -0.05 -1.02 0.18 0.00 0.10 0.00 0.00 66.02 65.23 2a1f s SER 185 CO 0.02 -1.13 1.81 1.88 0.98 0.00 0.00 173.24 176.81 2a1f h TYR 186 N 0.04 1.22 -0.55 5.02 -1.99 -1.93 -2.52 116.97 116.26 2a1f h TYR 186 Ca -0.43 -0.06 -0.06 0.00 2.00 0.00 0.00 58.73 60.17 2a1f h TYR 186 Cb 1.29 -0.38 -0.02 0.00 2.00 0.00 0.00 36.73 39.62 2a1f h TYR 186 CO 0.38 0.89 0.10 0.00 -0.00 0.00 0.00 178.16 179.53 2a1f h ALA 187 N 1.22 0.74 -0.04 3.88 0.00 -1.94 -2.51 119.26 120.60 2a1f h ALA 187 Ca 0.29 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2a1f h ALA 187 Cb 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2a1f h ALA 187 CO -0.04 0.47 -0.10 1.49 0.00 0.00 0.00 179.25 181.07 2a1f h GLU 188 N 0.80 -0.15 -0.69 0.00 4.81 -1.92 -1.12 114.58 116.32 2a1f h GLU 188 Ca 0.17 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.52 2a1f h GLU 188 Cb 0.39 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.73 2a1f h GLU 188 CO 0.01 -0.10 0.29 0.28 -0.73 0.00 0.00 179.01 178.76 2a1f h VAL 189 N -0.15 0.76 -0.30 0.32 2.07 -1.21 0.34 116.25 118.06 2a1f h VAL 189 Ca 0.05 -0.16 -0.17 0.00 0.82 0.00 0.00 66.70 67.24 2a1f h VAL 189 Cb 0.23 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2a1f h VAL 189 CO -0.13 0.09 -0.47 0.40 0.02 0.00 0.00 177.57 177.47 2a1f h ILE 190 N 0.48 1.28 0.00 4.57 2.04 -1.27 -0.15 117.51 124.46 2a1f h ILE 190 Ca 0.35 -1.66 -0.16 0.00 1.00 0.00 0.00 64.86 64.40 2a1f h ILE 190 Cb 0.45 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 2a1f h ILE 190 CO -0.33 0.54 -0.74 0.44 0.00 0.00 0.00 178.15 178.06 2a1f h ASP 191 N 0.63 0.00 -0.11 1.72 5.19 -0.73 -2.80 116.42 120.32 2a1f h ASP 191 Ca 0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2a1f h ASP 191 Cb 1.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.59 2a1f h ASP 191 CO 0.11 0.74 0.00 0.29 -3.12 0.00 0.00 179.24 177.26 2a1f n LYS 192 N -3.40 1.93 -3.79 3.56 5.02 0.06 -4.95 118.16 116.59 2a1f n LYS 192 Ca 0.00 -1.38 -0.29 0.00 -2.02 0.00 0.00 58.31 54.63 2a1f n LYS 192 Cb 0.79 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 34.37 2a1f n LYS 192 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2a1f n GLU 193 N 0.63 -5.33 -2.38 1.97 1.02 -0.88 -4.91 120.64 110.77 2a1f n GLU 193 Ca 0.17 0.61 -0.34 0.00 -0.02 0.00 0.00 57.16 57.58 2a1f n GLU 193 Cb 0.43 -5.49 -0.02 0.00 -0.02 0.00 0.00 31.44 26.35 2a1f n GLU 193 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2a1f s LEU 194 N -7.17 3.77 -0.41 -4.62 1.43 -0.12 -4.99 118.68 106.56 2a1f s LEU 194 Ca 0.62 2.00 -0.18 0.00 -1.03 0.00 0.00 54.13 55.54 2a1f s LEU 194 Cb -0.31 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.36 2a1f s LEU 194 CO 0.76 -0.99 0.52 -1.59 0.23 0.00 0.00 176.35 175.28 2a1f s LYS 195 N -3.35 3.29 0.08 1.70 -2.85 -1.26 -4.82 119.74 112.52 2a1f s LYS 195 Ca 0.69 -0.49 0.00 0.00 -1.00 0.00 0.00 55.97 55.17 2a1f s LYS 195 Cb -0.19 -3.92 0.00 0.00 -2.06 0.00 0.00 37.83 31.66 2a1f s LYS 195 CO 0.24 -0.84 0.00 0.28 0.10 0.00 0.00 175.35 175.13 2a1f n VAL 196 N 5.56 0.44 -3.83 1.79 0.31 -1.26 -4.90 118.33 116.45 2a1f n VAL 196 Ca -0.05 0.15 -0.07 0.00 -0.01 0.00 0.00 64.34 64.35 2a1f n VAL 196 Cb 0.48 -1.23 0.01 0.00 -0.91 0.00 0.00 33.84 32.18 2a1f n VAL 196 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2a1f s MET 197 N -2.00 1.93 0.74 5.55 0.23 -1.26 -5.12 119.30 119.37 2a1f s MET 197 Ca 0.00 -1.20 -0.15 0.00 -1.03 0.00 0.00 55.69 53.32 2a1f s MET 197 Cb 0.00 0.57 0.05 0.00 -1.53 0.00 0.00 34.83 33.92 2a1f s MET 197 CO 0.00 -0.90 1.22 0.16 -2.03 0.00 0.00 175.02 173.47 2a1f s ASP 198 N -3.07 4.08 0.36 -1.18 1.47 -1.26 -4.72 116.67 112.35 2a1f s ASP 198 Ca 0.15 2.38 0.06 0.00 1.18 0.00 0.00 52.55 56.32 2a1f s ASP 198 Cb -0.05 -2.59 0.74 0.00 -0.34 0.00 0.00 42.92 40.68 2a1f s ASP 198 CO 0.09 -2.34 1.97 0.25 0.68 0.00 0.00 175.17 175.82 2a1f h LEU 199 N -0.37 0.66 -0.27 2.11 5.85 -2.01 -1.21 115.31 120.06 2a1f h LEU 199 Ca -0.48 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.12 2a1f h LEU 199 Cb 1.30 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 2a1f h LEU 199 CO 0.49 0.43 -0.32 0.28 -0.34 0.00 0.00 178.44 178.99 2a1f h SER 200 N 0.75 0.75 0.11 1.25 0.02 -1.98 0.37 113.55 114.82 2a1f h SER 200 Ca 0.29 -0.49 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 2a1f h SER 200 Cb 0.20 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2a1f h SER 200 CO -0.09 1.09 -0.05 0.00 -1.14 0.00 0.00 176.83 176.63 2a1f h ALA 201 N 0.68 -0.15 -0.50 3.77 0.00 -1.78 -1.62 119.26 119.67 2a1f h ALA 201 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2a1f h ALA 201 Cb 0.89 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2a1f h ALA 201 CO 0.08 -0.51 0.24 0.35 0.00 0.00 0.00 179.25 179.41 2a1f h PHE 202 N -0.31 0.68 -0.19 0.00 3.57 -1.19 -1.13 116.94 118.37 2a1f h PHE 202 Ca -0.02 -0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.31 2a1f h PHE 202 Cb 0.25 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 2a1f h PHE 202 CO -0.02 0.50 -0.54 1.15 -2.23 0.00 0.00 178.31 177.17 2a1f h THR 203 N 0.69 1.32 -0.46 4.41 2.02 -0.79 -1.21 112.91 118.89 2a1f h THR 203 Ca 0.17 -1.79 -0.06 0.00 0.77 0.00 0.00 66.41 65.50 2a1f h THR 203 Cb 0.07 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 2a1f h THR 203 CO -0.02 0.56 0.04 0.25 0.37 0.00 0.00 175.52 176.71 2a1f h LEU 204 N 0.44 0.77 -0.95 2.58 5.85 -0.31 -1.06 115.31 122.63 2a1f h LEU 204 Ca 0.01 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 2a1f h LEU 204 Cb 1.09 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2a1f h LEU 204 CO 0.10 0.86 0.09 0.00 -0.34 0.00 0.00 178.44 179.15 2a1f h ALA 205 N 0.93 1.14 -0.01 1.25 0.00 -1.12 -2.98 119.26 118.47 2a1f h ALA 205 Ca 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2a1f h ALA 205 Cb 0.44 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2a1f h ALA 205 CO 0.02 0.57 -0.00 -0.09 0.00 0.00 0.00 179.25 179.75 2a1f h ARG 206 N 0.82 0.01 0.00 0.00 2.43 -0.97 0.34 114.38 117.01 2a1f h ARG 206 Ca 0.17 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2a1f h ARG 206 Cb 0.36 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2a1f h ARG 206 CO 0.01 0.36 -0.08 -0.44 -1.51 0.00 0.00 179.97 178.31 2a1f h ASP 207 N -0.33 0.00 -0.05 -3.80 3.32 -1.22 -2.39 116.42 111.94 2a1f h ASP 207 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2a1f h ASP 207 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2a1f h ASP 207 CO 0.00 0.08 0.00 1.41 -1.72 0.00 0.00 179.24 179.01 2a1f n HIS 208 N -3.33 0.04 -2.52 4.55 8.25 -1.13 -4.99 115.22 116.09 2a1f n HIS 208 Ca -0.01 -0.03 -0.17 0.00 -0.26 0.00 0.00 57.72 57.24 2a1f n HIS 208 Cb 0.26 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.37 2a1f n HIS 208 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2a1f n GLY 209 N 0.85 -0.32 3.64 -1.41 0.00 -0.48 -4.98 105.19 102.49 2a1f n GLY 209 Ca 0.09 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2a1f n GLY 209 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2a1f s MET 210 N -5.07 4.01 0.51 1.61 0.00 -0.01 -4.93 119.30 115.41 2a1f s MET 210 Ca 0.09 1.28 -0.20 0.00 0.00 0.00 0.00 55.69 56.86 2a1f s MET 210 Cb -0.04 -3.82 -0.07 0.00 0.00 0.00 0.00 34.83 30.90 2a1f s MET 210 CO 0.11 -0.99 1.10 -1.25 0.00 0.00 0.00 175.02 173.98 2a1f s PRO 211 N 3.92 3.59 -0.02 4.11 0.04 -1.26 -4.68 135.00 140.70 2a1f s PRO 211 Ca 0.53 1.53 0.08 0.00 0.04 0.00 0.00 61.00 63.19 2a1f s PRO 211 Cb -0.16 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 2a1f s PRO 211 CO 0.20 -0.64 -0.26 0.42 0.04 0.00 0.00 177.00 176.76 2a1f s ILE 212 N -1.82 2.06 -0.14 0.56 1.01 -0.20 -1.25 121.20 121.42 2a1f s ILE 212 Ca 0.69 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2a1f s ILE 212 Cb -0.21 -1.70 0.01 0.00 0.01 0.00 0.00 42.46 40.56 2a1f s ILE 212 CO 0.25 0.58 -0.21 -0.13 0.00 0.00 0.00 174.94 175.43 2a1f s ARG 213 N -0.61 3.05 -0.24 2.79 1.81 -0.49 0.24 118.95 125.50 2a1f s ARG 213 Ca 0.10 -0.84 -0.06 0.00 -1.72 0.00 0.00 55.73 53.20 2a1f s ARG 213 Cb -0.10 -2.46 -0.02 0.00 -0.45 0.00 0.00 34.95 31.92 2a1f s ARG 213 CO -0.01 0.00 0.04 0.08 -0.68 0.00 0.00 175.30 174.74 2a1f s VAL 214 N 0.78 4.10 0.19 3.52 1.01 -0.12 0.03 120.40 129.92 2a1f s VAL 214 Ca -0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2a1f s VAL 214 Cb -0.16 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2a1f s VAL 214 CO -0.01 0.36 0.16 0.72 0.00 0.00 0.00 175.10 176.33 2a1f s PHE 215 N 1.54 1.02 -0.80 5.22 -0.12 -1.01 -1.22 117.98 122.61 2a1f s PHE 215 Ca 0.06 -1.28 -0.18 0.00 -0.05 0.00 0.00 56.93 55.48 2a1f s PHE 215 Cb -0.15 -0.46 0.14 0.00 -0.63 0.00 0.00 43.02 41.92 2a1f s PHE 215 CO 0.02 -0.66 0.92 1.21 -0.05 0.00 0.00 175.22 176.67 2a1f s ASN 216 N -3.12 6.52 0.57 1.98 3.84 -1.06 -0.25 114.94 123.41 2a1f s ASN 216 Ca 0.34 -1.97 0.35 0.00 0.21 0.00 0.00 52.86 51.79 2a1f s ASN 216 Cb 0.06 -2.33 1.57 0.00 -0.55 0.00 0.00 41.25 40.00 2a1f s ASN 216 CO 0.10 -0.99 2.06 -0.03 -2.79 0.00 0.00 177.10 175.45 2a1f h MET 217 N 8.72 0.00 -0.73 0.43 1.85 -1.64 -2.95 114.93 120.62 2a1f h MET 217 Ca 0.00 0.00 0.19 0.00 -0.61 0.00 0.00 59.70 59.28 2a1f h MET 217 Cb 1.05 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 33.04 2a1f h MET 217 CO 1.03 0.02 0.51 0.78 -0.40 0.00 0.00 176.91 178.84 2a1f h GLY 218 N 1.59 0.27 -6.42 1.39 0.00 -1.90 -3.40 103.07 94.60 2a1f h GLY 218 Ca -0.00 -0.06 -0.59 0.00 0.00 0.00 0.00 47.33 46.67 2a1f h GLY 218 CO 0.00 0.01 0.60 0.54 0.00 0.00 0.00 176.54 177.70 2a1f s LYS 219 N -5.14 3.80 0.31 4.80 1.02 -1.11 -5.03 119.74 118.38 2a1f s LYS 219 Ca -0.06 0.53 -0.28 0.00 0.02 0.00 0.00 55.97 56.18 2a1f s LYS 219 Cb 0.21 -3.82 -0.13 0.00 -0.52 0.00 0.00 37.83 33.57 2a1f s LYS 219 CO 0.76 -0.99 1.11 -2.30 -0.92 0.00 0.00 175.35 173.01 2a1f n PRO 220 N 6.83 1.61 0.00 -1.68 -0.02 -1.26 -2.02 135.00 138.46 2a1f n PRO 220 Ca 0.07 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2a1f n PRO 220 Cb 0.48 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2a1f n PRO 220 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a1f n GLY 221 N 1.08 3.05 0.33 -1.23 0.00 -1.26 -4.93 105.19 102.23 2a1f n GLY 221 Ca 0.08 -0.61 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 2a1f n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1f h ALA 222 N 0.00 1.16 -0.39 4.61 0.00 -1.67 -2.26 119.26 120.70 2a1f h ALA 222 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2a1f h ALA 222 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2a1f h ALA 222 CO 0.00 0.38 0.18 1.25 0.00 0.00 0.00 179.25 181.07 2a1f h LEU 223 N 1.07 0.51 -1.00 0.00 5.85 -1.86 -0.01 115.31 119.87 2a1f h LEU 223 Ca 0.35 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 2a1f h LEU 223 Cb 0.04 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2a1f h LEU 223 CO -0.13 0.50 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.20 2a1f h ARG 224 N 0.49 0.51 -0.70 1.25 2.43 -1.87 -2.07 114.38 114.42 2a1f h ARG 224 Ca 0.13 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 2a1f h ARG 224 Cb 0.13 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 2a1f h ARG 224 CO -0.02 0.67 0.25 1.96 -1.51 0.00 0.00 179.97 181.33 2a1f h GLN 225 N 0.47 1.06 -0.46 0.20 4.20 -0.95 -1.52 115.11 118.11 2a1f h GLN 225 Ca 0.08 -0.21 -0.14 0.00 0.06 0.00 0.00 58.65 58.44 2a1f h GLN 225 Cb 0.58 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2a1f h GLN 225 CO 0.04 0.90 -0.24 0.28 -0.67 0.00 0.00 178.83 179.13 2a1f h VAL 226 N 1.01 1.27 0.00 -0.54 2.07 -0.72 -2.49 116.25 116.85 2a1f h VAL 226 Ca 0.23 -1.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.27 2a1f h VAL 226 Cb 0.25 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2a1f h VAL 226 CO -0.01 0.48 -0.34 0.58 0.02 0.00 0.00 177.57 178.30 2a1f h VAL 227 N 0.82 0.67 -0.29 2.57 2.07 -1.29 -3.30 116.25 117.50 2a1f h VAL 227 Ca 0.10 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 65.98 2a1f h VAL 227 Cb 0.83 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2a1f h VAL 227 CO 0.07 0.34 0.00 0.35 0.02 0.00 0.00 177.57 178.35 2a1f n THR 228 N -3.30 1.67 -3.59 2.57 -2.24 -0.58 -1.02 114.28 107.78 2a1f n THR 228 Ca 0.01 -1.46 -0.05 0.00 -2.27 0.00 0.00 64.05 60.28 2a1f n THR 228 Cb 0.58 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.90 2a1f n THR 228 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2a1f s GLY 229 N -1.49 -0.36 0.00 3.38 0.00 -0.94 -4.47 107.32 103.44 2a1f s GLY 229 Ca 0.33 1.11 0.26 0.00 0.00 0.00 0.00 44.72 46.42 2a1f s GLY 229 CO 0.12 0.35 1.46 -1.30 0.00 0.00 0.00 173.10 173.72 2a1f n THR 230 N -0.24 0.00 -0.05 0.90 -2.24 -1.26 -4.54 114.28 106.85 2a1f n THR 230 Ca -0.05 -0.38 -0.19 0.00 -2.27 0.00 0.00 64.05 61.17 2a1f n THR 230 Cb 0.60 1.06 -0.13 0.00 -2.10 0.00 0.00 70.33 69.75 2a1f n THR 230 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2a1f n GLU 231 N 0.76 0.71 -1.92 -0.78 -0.58 -1.26 -4.92 120.64 112.65 2a1f n GLU 231 Ca 0.16 0.21 -0.42 0.00 -0.42 0.00 0.00 57.16 56.69 2a1f n GLU 231 Cb 0.49 -1.64 -0.03 0.00 -0.57 0.00 0.00 31.44 29.69 2a1f n GLU 231 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2a1f s GLU 232 N -2.55 4.21 2.19 3.49 0.41 -1.26 -4.80 118.70 120.39 2a1f s GLU 232 Ca -0.25 2.37 0.00 0.00 -0.41 0.00 0.00 54.97 56.68 2a1f s GLU 232 Cb 0.07 -3.21 0.00 0.00 -1.78 0.00 0.00 34.13 29.21 2a1f s GLU 232 CO 0.72 -0.63 0.00 0.41 -0.49 0.00 0.00 175.26 175.27 2a1f n GLY 233 N 3.80 -1.27 3.33 -1.39 0.00 -1.26 -4.83 105.19 103.57 2a1f n GLY 233 Ca 0.14 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 2a1f n GLY 233 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a1f s THR 234 N 0.00 2.81 -0.19 2.61 2.01 -0.35 -4.69 115.64 117.84 2a1f s THR 234 Ca 0.00 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.17 2a1f s THR 234 Cb 0.00 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 2a1f s THR 234 CO 0.00 0.53 0.08 -0.89 -0.69 0.00 0.00 174.62 173.65 2a1f s THR 235 N 0.40 4.93 -0.15 -0.82 2.01 -0.05 -0.94 115.64 121.02 2a1f s THR 235 Ca -0.12 0.02 0.02 0.00 0.31 0.00 0.00 61.69 61.92 2a1f s THR 235 Cb -0.16 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.13 2a1f s THR 235 CO 0.06 0.45 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.59 2a1f s ILE 236 N 0.42 2.06 0.32 1.82 1.01 0.14 -1.45 121.20 125.52 2a1f s ILE 236 Ca 0.04 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.61 2a1f s ILE 236 Cb -0.12 -1.83 0.02 0.00 0.01 0.00 0.00 42.46 40.53 2a1f s ILE 236 CO -0.00 0.55 0.59 0.00 0.00 0.00 0.00 174.94 176.07 2a1f s GLU 238 N -3.23 4.18 0.00 0.00 2.12 -1.26 -3.37 118.70 117.14 2a1f s GLU 238 Ca 0.22 2.46 0.32 0.00 0.36 0.00 0.00 54.97 58.33 2a1f s GLU 238 Cb -0.02 -3.06 1.83 0.00 0.26 0.00 0.00 34.13 33.14 2a1f s GLU 238 CO 0.13 -0.54 2.18 0.41 -0.54 0.00 0.00 175.26 176.90