#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1f s GLN 3 N 0.00 1.39 0.29 4.33 0.74 -1.26 -4.98 119.66 120.17 2a1f s GLN 3 Ca 0.00 -1.53 -0.29 0.00 0.05 0.00 0.00 55.36 53.59 2a1f s GLN 3 Cb 0.00 -1.42 -0.10 0.00 1.10 0.00 0.00 33.01 32.59 2a1f s GLN 3 CO 0.00 0.28 1.24 -1.25 -0.55 0.00 0.00 175.29 175.01 2a1f s PRO 4 N -3.12 4.45 0.00 1.67 0.04 -1.26 -4.39 135.00 132.39 2a1f s PRO 4 Ca 0.21 2.06 0.27 0.00 0.04 0.00 0.00 61.00 63.57 2a1f s PRO 4 Cb -0.05 -3.13 0.89 0.00 0.04 0.00 0.00 34.50 32.26 2a1f s PRO 4 CO 0.09 -0.08 1.65 0.44 0.04 0.00 0.00 177.00 179.14 2a1f n ILE 5 N 1.28 0.00 -5.12 0.56 -5.35 0.29 -4.89 119.36 106.14 2a1f n ILE 5 Ca 0.01 -0.21 -0.30 0.00 -0.27 0.00 0.00 62.75 61.97 2a1f n ILE 5 Cb 0.43 0.51 -0.15 0.00 -1.74 0.00 0.00 39.64 38.69 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 -2.19 2.30 -0.03 4.28 1.51 -1.26 -5.04 117.35 116.93 2a1f s TYR 6 Ca 0.32 -0.42 -0.13 0.00 -1.01 0.00 0.00 57.07 55.83 2a1f s TYR 6 Cb 0.20 -1.43 -0.32 0.00 -0.11 0.00 0.00 41.96 40.30 2a1f s TYR 6 CO 0.41 0.03 0.76 0.87 -1.11 0.00 0.00 175.55 176.50 2a1f h LYS 7 N 5.19 0.44 -3.27 -0.62 1.57 -1.94 -3.44 116.57 114.51 2a1f h LYS 7 Ca -0.44 -0.75 -0.28 0.00 -1.87 0.00 0.00 60.65 57.31 2a1f h LYS 7 Cb 1.13 0.28 -0.34 0.00 0.08 0.00 0.00 32.23 33.38 2a1f h LYS 7 CO 0.46 1.36 -0.65 0.50 -0.57 0.00 0.00 179.45 180.55 2a1f s ARG 8 N -2.58 0.04 0.24 3.15 3.52 -1.26 -1.33 118.95 120.72 2a1f s ARG 8 Ca -0.14 0.38 0.10 0.00 -0.13 0.00 0.00 55.73 55.94 2a1f s ARG 8 Cb 0.05 -0.25 -0.05 0.00 -1.56 0.00 0.00 34.95 33.15 2a1f s ARG 8 CO 0.88 -0.22 -0.18 0.96 -0.81 0.00 0.00 175.30 175.93 2a1f s ILE 9 N 1.52 2.13 -0.22 4.11 -4.36 -0.53 -0.10 121.20 123.75 2a1f s ILE 9 Ca -0.05 -2.27 0.02 0.00 -0.26 0.00 0.00 60.65 58.09 2a1f s ILE 9 Cb -0.12 -2.15 0.04 0.00 1.25 0.00 0.00 42.46 41.49 2a1f s ILE 9 CO -0.05 -0.45 -0.14 -0.22 0.24 0.00 0.00 174.94 174.32 2a1f s LEU 10 N -3.31 2.75 -0.37 0.37 0.20 -0.58 -1.93 118.68 115.81 2a1f s LEU 10 Ca 0.25 -1.04 -0.20 0.00 0.69 0.00 0.00 54.13 53.84 2a1f s LEU 10 Cb -0.04 -1.45 0.01 0.00 -0.43 0.00 0.00 46.19 44.28 2a1f s LEU 10 CO 0.11 -0.12 0.59 -0.22 -0.29 0.00 0.00 176.35 176.42 2a1f s LEU 11 N 1.23 4.36 -0.33 -0.68 2.96 -0.40 -0.10 118.68 125.72 2a1f s LEU 11 Ca -0.03 -0.05 -0.15 0.00 -0.22 0.00 0.00 54.13 53.68 2a1f s LEU 11 Cb -0.17 -2.69 -0.02 0.00 0.50 0.00 0.00 46.19 43.82 2a1f s LEU 11 CO -0.08 -0.59 0.37 -0.75 -1.32 0.00 0.00 176.35 173.97 2a1f s LYS 12 N 2.60 3.63 -0.12 1.98 2.36 0.19 -0.87 119.74 129.50 2a1f s LYS 12 Ca 0.22 -0.34 0.01 0.00 -2.55 0.00 0.00 55.97 53.30 2a1f s LYS 12 Cb -0.15 -3.78 -0.01 0.00 -1.05 0.00 0.00 37.83 32.84 2a1f s LYS 12 CO 0.15 -0.50 -0.15 -0.51 1.55 0.00 0.00 175.35 175.89 2a1f s LEU 13 N 2.05 2.58 0.62 5.43 1.43 0.03 -1.18 118.68 129.63 2a1f s LEU 13 Ca 0.13 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 52.68 2a1f s LEU 13 Cb -0.16 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 2a1f s LEU 13 CO 0.12 0.16 1.12 -0.94 0.23 0.00 0.00 176.35 177.04 2a1f s SER 14 N 0.35 5.32 0.32 2.29 1.04 -1.26 -0.82 113.70 120.93 2a1f s SER 14 Ca -0.13 2.08 0.05 0.00 0.48 0.00 0.00 55.95 58.43 2a1f s SER 14 Cb -0.16 -2.56 0.68 0.00 0.10 0.00 0.00 66.02 64.08 2a1f s SER 14 CO 0.06 -1.49 1.85 1.23 0.98 0.00 0.00 173.24 175.87 2a1f h GLY 15 N 0.47 1.46 2.00 7.32 0.00 -1.90 -1.80 103.07 110.62 2a1f h GLY 15 Ca -0.48 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.48 2a1f h GLY 15 CO 0.55 0.11 0.00 1.18 0.00 0.00 0.00 176.54 178.38 2a1f n GLU 16 N -4.60 0.05 0.23 4.80 4.71 -1.26 -1.26 120.64 123.30 2a1f n GLU 16 Ca 0.19 0.44 0.10 0.00 -0.01 0.00 0.00 57.16 57.87 2a1f n GLU 16 Cb 0.42 -1.63 0.52 0.00 -1.01 0.00 0.00 31.44 29.74 2a1f n GLU 16 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2a1f h ALA 17 N 2.18 1.12 0.00 0.62 0.00 -1.69 -3.03 119.26 118.46 2a1f h ALA 17 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2a1f h ALA 17 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2a1f h ALA 17 CO 0.00 0.28 -0.65 -0.07 0.00 0.00 0.00 179.25 178.81 2a1f h LEU 18 N 0.00 0.00 -9.59 0.00 3.38 -1.36 -3.47 115.31 104.27 2a1f h LEU 18 Ca -0.00 -0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 2a1f h LEU 18 Cb 0.63 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.47 2a1f h LEU 18 CO 0.03 0.00 0.50 1.67 0.09 0.00 0.00 178.44 180.73 2a1f n GLN 19 N -2.81 1.90 -2.31 1.13 7.27 -1.15 -1.17 117.38 120.25 2a1f n GLN 19 Ca 0.01 0.67 -0.33 0.00 0.07 0.00 0.00 57.00 57.43 2a1f n GLN 19 Cb 0.54 -2.26 -0.02 0.00 2.41 0.00 0.00 30.24 30.91 2a1f n GLN 19 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 2a1f s GLY 20 N 0.02 2.24 0.57 1.69 0.00 -1.25 -4.74 107.32 105.84 2a1f s GLY 20 Ca 0.64 0.41 0.34 0.00 0.00 0.00 0.00 44.72 46.12 2a1f s GLY 20 CO 0.54 0.72 1.72 1.05 0.00 0.00 0.00 173.10 177.13 2a1f h GLU 21 N 0.94 0.00 -0.21 2.90 -0.00 -1.94 1.22 114.58 117.49 2a1f h GLU 21 Ca -0.48 0.00 0.06 0.00 -0.00 0.00 0.00 59.36 58.94 2a1f h GLU 21 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.95 2a1f h GLU 21 CO 0.59 0.00 0.17 -0.44 -0.00 0.00 0.00 179.01 179.32 2a1f h ASP 22 N 0.00 0.00 0.00 3.06 5.19 -2.03 -3.46 116.42 119.18 2a1f h ASP 22 Ca 0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.91 2a1f h ASP 22 Cb 2.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.76 2a1f h ASP 22 CO -0.01 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.72 2a1f n GLY 23 N -1.53 0.86 3.19 2.75 0.00 0.42 -5.09 105.19 105.80 2a1f n GLY 23 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 2a1f n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a1f s LEU 24 N 0.00 2.38 0.00 0.99 1.43 -1.26 -4.84 118.68 117.38 2a1f s LEU 24 Ca 0.00 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 2a1f s LEU 24 Cb 0.00 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.81 2a1f s LEU 24 CO 0.00 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 176.99 2a1f n GLY 25 N 0.67 1.87 3.02 -3.19 0.00 -0.20 -3.84 105.19 103.52 2a1f n GLY 25 Ca -0.17 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 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 1.59 -0.35 -0.61 1.01 -1.26 -3.57 121.20 118.00 2a1f s ILE 26 Ca 0.00 -0.69 -0.20 0.00 0.00 0.00 0.00 60.65 59.75 2a1f s ILE 26 Cb 0.00 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.96 2a1f s ILE 26 CO 0.00 0.42 0.64 -0.62 0.00 0.00 0.00 174.94 175.38 2a1f s ASP 27 N 1.47 6.43 0.28 3.58 3.68 -0.32 -4.88 116.67 126.92 2a1f s ASP 27 Ca 0.04 0.16 -0.02 0.00 2.13 0.00 0.00 52.55 54.86 2a1f s ASP 27 Cb -0.13 -2.33 0.43 0.00 -1.45 0.00 0.00 42.92 39.43 2a1f s ASP 27 CO -0.10 -0.59 1.91 -0.65 0.13 0.00 0.00 175.17 175.86 2a1f h PRO 28 N 8.45 1.12 -0.38 4.34 0.11 -1.99 -1.13 132.00 142.53 2a1f h PRO 28 Ca -0.26 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.80 2a1f h PRO 28 Cb 1.11 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 2a1f h PRO 28 CO 0.84 0.74 0.21 0.00 -0.21 0.00 0.00 178.00 179.58 2a1f h ALA 29 N 1.46 0.48 -0.40 -0.75 0.00 -1.96 0.29 119.26 118.38 2a1f h ALA 29 Ca 0.39 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 2a1f h ALA 29 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2a1f h ALA 29 CO -0.13 -0.13 0.09 0.82 0.00 0.00 0.00 179.25 179.89 2a1f h ILE 30 N 0.44 1.23 -0.51 0.00 2.04 -1.80 -0.50 117.51 118.40 2a1f h ILE 30 Ca 0.15 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 2a1f h ILE 30 Cb 0.02 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2a1f h ILE 30 CO -0.08 0.28 0.28 0.25 0.00 0.00 0.00 178.15 178.87 2a1f h LEU 31 N 0.51 0.64 -0.79 1.44 5.85 -0.87 -1.57 115.31 120.52 2a1f h LEU 31 Ca 0.12 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 2a1f h LEU 31 Cb 0.33 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2a1f h LEU 31 CO 0.00 0.55 -0.54 0.44 -0.34 0.00 0.00 178.44 178.56 2a1f h ASP 32 N 0.68 0.00 -0.23 1.25 3.45 -0.32 -2.49 116.42 118.75 2a1f h ASP 32 Ca 0.18 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.63 2a1f h ASP 32 Cb 0.06 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.81 2a1f h ASP 32 CO -0.03 0.54 0.13 -0.09 -1.57 0.00 0.00 179.24 178.21 2a1f h ARG 33 N 0.00 0.33 -0.76 3.56 1.12 -0.78 -2.62 114.38 115.23 2a1f h ARG 33 Ca -0.01 -0.04 0.03 0.00 -1.11 0.00 0.00 59.98 58.86 2a1f h ARG 33 Cb 1.05 -0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 30.90 2a1f h ARG 33 CO 0.07 0.30 0.50 0.52 -3.11 0.00 0.00 179.97 178.25 2a1f h MET 34 N 0.27 0.90 -0.35 0.20 2.86 -1.05 -2.14 114.93 115.63 2a1f h MET 34 Ca 0.08 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 2a1f h MET 34 Cb 0.07 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 2a1f h MET 34 CO -0.01 0.60 -0.19 0.00 1.06 0.00 0.00 176.91 178.36 2a1f h ALA 35 N 1.56 1.01 -0.52 6.32 0.00 -1.31 -1.07 119.26 125.25 2a1f h ALA 35 Ca 0.30 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2a1f h ALA 35 Cb 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2a1f h ALA 35 CO -0.09 0.59 0.06 0.28 0.00 0.00 0.00 179.25 180.09 2a1f h VAL 36 N 0.59 1.26 -0.70 0.00 2.07 -1.06 0.79 116.25 119.20 2a1f h VAL 36 Ca 0.09 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 2a1f h VAL 36 Cb 0.65 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2a1f h VAL 36 CO 0.05 0.35 0.22 -0.33 0.02 0.00 0.00 177.57 177.88 2a1f h GLU 37 N 0.75 1.08 -0.29 1.57 5.08 -1.26 -1.88 114.58 119.64 2a1f h GLU 37 Ca 0.15 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2a1f h GLU 37 Cb 0.44 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2a1f h GLU 37 CO 0.02 0.93 -0.02 0.82 -1.00 0.00 0.00 179.01 179.76 2a1f h ILE 38 N 1.02 1.26 -0.70 3.13 2.04 -1.08 -2.67 117.51 120.52 2a1f h ILE 38 Ca 0.22 -0.98 0.11 0.00 1.00 0.00 0.00 64.86 65.22 2a1f h ILE 38 Cb 0.30 1.32 -0.08 0.00 -0.74 0.00 0.00 36.82 37.62 2a1f h ILE 38 CO -0.01 0.31 0.29 0.50 0.00 0.00 0.00 178.15 179.24 2a1f h LYS 39 N 0.31 0.45 0.00 2.37 3.64 -0.70 -0.33 116.57 122.31 2a1f h LYS 39 Ca 0.08 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 2a1f h LYS 39 Cb 0.46 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2a1f h LYS 39 CO 0.02 0.30 -0.24 1.05 -2.27 0.00 0.00 179.45 178.31 2a1f h GLU 40 N 0.47 0.00 -0.29 1.90 4.11 -1.23 0.24 114.58 119.78 2a1f h GLU 40 Ca 0.36 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.71 2a1f h GLU 40 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2a1f h GLU 40 CO -0.34 0.24 -0.13 -0.07 0.07 0.00 0.00 179.01 178.78 2a1f h LEU 41 N 0.00 0.62 -0.49 3.06 3.38 -0.78 -2.74 115.31 118.35 2a1f h LEU 41 Ca -0.00 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 2a1f h LEU 41 Cb 0.56 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2a1f h LEU 41 CO 0.03 0.88 0.26 0.58 0.09 0.00 0.00 178.44 180.28 2a1f h VAL 42 N 0.35 1.18 0.00 1.22 2.07 -0.32 -2.42 116.25 118.33 2a1f h VAL 42 Ca 0.07 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 2a1f h VAL 42 Cb 0.64 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2a1f h VAL 42 CO 0.04 0.19 -0.02 -0.33 0.02 0.00 0.00 177.57 177.47 2a1f h GLU 43 N 0.65 0.00 -0.07 1.57 5.08 -0.56 -0.51 114.58 120.74 2a1f h GLU 43 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2a1f h GLU 43 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2a1f h GLU 43 CO -0.03 0.02 0.00 -1.33 -1.00 0.00 0.00 179.01 176.68 2a1f n MET 44 N -3.57 1.46 -0.53 2.33 2.81 -0.97 -4.94 117.12 113.71 2a1f n MET 44 Ca -0.03 -0.68 0.00 0.00 -1.81 0.00 0.00 57.70 55.18 2a1f n MET 44 Cb 0.11 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 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 1.05 0.76 3.71 3.03 0.00 -0.20 -4.84 105.19 108.71 2a1f n GLY 45 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.88 4.01 -0.31 1.61 1.01 -0.95 -4.97 120.40 117.92 2a1f s VAL 46 Ca 0.00 1.45 -0.27 0.00 0.00 0.00 0.00 61.98 63.15 2a1f s VAL 46 Cb 0.00 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.46 2a1f s VAL 46 CO 0.00 0.11 0.99 -1.61 0.00 0.00 0.00 175.10 174.60 2a1f s GLU 47 N 1.03 4.04 -0.19 2.72 2.02 -0.44 -4.18 118.70 123.70 2a1f s GLU 47 Ca 0.59 0.94 -0.04 0.00 0.02 0.00 0.00 54.97 56.47 2a1f s GLU 47 Cb -0.30 -3.73 -0.02 0.00 0.10 0.00 0.00 34.13 30.18 2a1f s GLU 47 CO 0.29 -0.83 -0.02 0.08 0.02 0.00 0.00 175.26 174.80 2a1f s VAL 48 N 3.44 3.77 0.20 2.63 1.01 -1.26 -1.45 120.40 128.74 2a1f s VAL 48 Ca 0.42 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 62.12 2a1f s VAL 48 Cb -0.13 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 2a1f s VAL 48 CO 0.14 0.44 -0.13 -0.94 0.00 0.00 0.00 175.10 174.61 2a1f s SER 49 N 0.95 4.01 -0.02 3.32 1.04 -0.81 -1.91 113.70 120.27 2a1f s SER 49 Ca 0.01 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.74 2a1f s SER 49 Cb -0.14 -0.57 0.01 0.00 0.10 0.00 0.00 66.02 65.42 2a1f s SER 49 CO 0.01 0.09 -0.02 -0.69 0.98 0.00 0.00 173.24 173.61 2a1f s VAL 50 N -1.83 0.28 -0.18 5.02 1.01 0.26 -1.27 120.40 123.69 2a1f s VAL 50 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2a1f s VAL 50 Cb -0.08 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 36.00 2a1f s VAL 50 CO 0.14 0.13 -0.17 -0.69 0.00 0.00 0.00 175.10 174.52 2a1f s VAL 51 N 0.52 2.37 -0.11 2.92 1.01 -0.05 -0.26 120.40 126.81 2a1f s VAL 51 Ca -0.05 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 2a1f s VAL 51 Cb -0.09 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 2a1f s VAL 51 CO -0.01 0.52 -0.04 -0.76 0.00 0.00 0.00 175.10 174.81 2a1f s LEU 52 N 1.24 3.30 0.00 3.92 1.43 -1.24 -0.79 118.68 126.54 2a1f s LEU 52 Ca 0.03 -0.03 -0.08 0.00 -1.03 0.00 0.00 54.13 53.03 2a1f s LEU 52 Cb -0.14 -1.76 0.15 0.00 0.03 0.00 0.00 46.19 44.48 2a1f s LEU 52 CO -0.09 0.29 0.96 0.61 0.23 0.00 0.00 176.35 178.35 2a1f n GLY 53 N 2.74 -0.55 0.00 -3.19 0.00 0.00 -4.81 105.19 99.37 2a1f n GLY 53 Ca -0.18 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2a1f n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a1f n GLY 54 N -1.67 0.12 0.00 -0.02 0.00 -1.26 -3.53 105.19 98.84 2a1f n GLY 54 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.24 -0.95 0.23 -0.02 0.00 -1.26 -1.77 105.19 101.19 2a1f n GLY 55 Ca 0.00 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.36 115.58 110.86 2a1f h ASN 56 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.29 2a1f h ASN 56 Cb 0.22 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.46 2a1f h ASN 56 CO 0.00 0.00 -1.53 0.18 0.07 0.00 0.00 177.43 176.15 2a1f n LEU 57 N -3.01 0.00 -3.58 6.14 4.77 -0.73 -1.03 117.00 119.56 2a1f n LEU 57 Ca 0.03 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.93 2a1f n LEU 57 Cb 0.43 0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 2a1f n LEU 57 CO 0.31 0.11 0.03 0.12 -1.33 0.00 0.00 177.39 176.63 2a1f s PHE 58 N -2.44 -0.88 -0.16 -1.77 5.36 -0.89 -5.01 117.98 112.20 2a1f s PHE 58 Ca -0.04 1.47 0.01 0.00 -0.96 0.00 0.00 56.93 57.42 2a1f s PHE 58 Cb 0.04 0.30 0.01 0.00 -0.34 0.00 0.00 43.02 43.04 2a1f s PHE 58 CO 0.39 -0.55 -0.20 1.03 -1.46 0.00 0.00 175.22 174.43 2a1f s ARG 59 N 2.63 3.05 -0.11 10.12 1.81 -1.26 -4.14 118.95 131.05 2a1f s ARG 59 Ca 0.01 -0.82 0.13 0.00 -1.72 0.00 0.00 55.73 53.33 2a1f s ARG 59 Cb -0.13 -2.53 0.56 0.00 -0.45 0.00 0.00 34.95 32.41 2a1f s ARG 59 CO -0.14 -0.09 1.42 0.41 -0.68 0.00 0.00 175.30 176.22 2a1f n GLY 60 N 4.29 2.22 0.13 -3.53 0.00 -1.26 -4.53 105.19 102.51 2a1f n GLY 60 Ca -0.20 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 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 3.69 -0.25 0.32 4.61 0.00 -1.99 -1.28 119.26 124.36 2a1f h ALA 61 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2a1f h ALA 61 Cb 1.28 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2a1f h ALA 61 CO 0.23 -0.56 -0.19 0.87 0.00 0.00 0.00 179.25 179.60 2a1f h LYS 62 N -0.40 -0.47 -0.64 0.00 1.57 -2.00 -1.90 116.57 112.73 2a1f h LYS 62 Ca -0.03 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2a1f h LYS 62 Cb 0.31 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 2a1f h LYS 62 CO 0.04 -0.31 0.42 -0.07 -0.57 0.00 0.00 179.45 178.96 2a1f h LEU 63 N -0.49 0.59 -0.49 2.94 3.38 -1.87 -1.54 115.31 117.83 2a1f h LEU 63 Ca -0.03 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 2a1f h LEU 63 Cb 0.40 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2a1f h LEU 63 CO 0.04 0.39 -0.05 0.00 0.09 0.00 0.00 178.44 178.91 2a1f h ALA 64 N 1.65 0.67 0.00 1.53 0.00 -1.05 -1.30 119.26 120.75 2a1f h ALA 64 Ca 0.27 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2a1f h ALA 64 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2a1f h ALA 64 CO -0.08 0.52 -0.29 -0.22 0.00 0.00 0.00 179.25 179.18 2a1f h LYS 65 N 0.76 0.00 0.00 0.00 1.63 -0.64 -1.69 116.57 116.63 2a1f h LYS 65 Ca 0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2a1f h LYS 65 Cb 0.59 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2a1f h LYS 65 CO 0.04 0.29 0.00 0.00 -3.45 0.00 0.00 179.45 176.33 2a1f n ALA 66 N -2.40 2.02 0.00 5.00 0.00 -0.65 -4.90 120.51 119.59 2a1f n ALA 66 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2a1f n ALA 66 Cb 0.37 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 0.80 0.91 3.68 0.00 0.00 -0.64 -5.08 105.19 104.86 2a1f n GLY 67 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 2a1f n GLY 67 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2a1f n MET 68 N -0.63 2.25 -1.68 1.61 0.00 -0.53 -4.91 117.12 113.22 2a1f n MET 68 Ca 0.00 0.81 -0.45 0.00 -0.00 0.00 0.00 57.70 58.06 2a1f n MET 68 Cb 0.00 -2.60 -0.03 0.00 0.00 0.00 0.00 33.22 30.59 2a1f n MET 68 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2a1f n ASN 69 N 3.68 3.23 0.20 6.12 4.05 -1.26 -4.66 115.26 126.61 2a1f n ASN 69 Ca 0.17 1.10 0.04 0.00 0.45 0.00 0.00 54.58 56.34 2a1f n ASN 69 Cb 0.30 -1.47 0.40 0.00 1.23 0.00 0.00 39.78 40.24 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 5.54 0.00 -0.30 1.20 9.65 -1.98 -1.90 114.38 126.59 2a1f h ARG 70 Ca -0.45 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.48 2a1f h ARG 70 Cb 1.25 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.78 2a1f h ARG 70 CO 0.86 0.33 0.01 0.28 2.80 0.00 0.00 179.97 184.25 2a1f h VAL 71 N 0.00 0.79 -0.42 0.20 2.07 -1.99 0.14 116.25 117.04 2a1f h VAL 71 Ca -0.00 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2a1f h VAL 71 Cb 0.62 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2a1f h VAL 71 CO 0.04 0.02 0.19 0.58 0.02 0.00 0.00 177.57 178.42 2a1f h VAL 72 N 0.10 1.19 -0.84 2.57 2.07 -1.77 -1.33 116.25 118.22 2a1f h VAL 72 Ca 0.14 -0.55 0.07 0.00 0.82 0.00 0.00 66.70 67.18 2a1f h VAL 72 Cb 0.19 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 2a1f h VAL 72 CO -0.24 0.21 0.51 1.23 0.02 0.00 0.00 177.57 179.30 2a1f h GLY 73 N 0.54 1.28 1.49 2.17 0.00 -1.12 -1.98 103.07 105.44 2a1f h GLY 73 Ca 0.14 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 2a1f h GLY 73 CO -0.02 0.22 -0.26 -0.55 0.00 0.00 0.00 176.54 175.93 2a1f h ASP 74 N 0.91 0.60 -0.76 0.19 3.32 -0.34 -2.16 116.42 118.17 2a1f h ASP 74 Ca 0.38 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 2a1f h ASP 74 Cb 0.23 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 2a1f h ASP 74 CO -0.19 0.84 0.27 0.45 -1.72 0.00 0.00 179.24 178.88 2a1f h HIS 75 N 0.51 1.19 -0.27 4.55 3.86 -0.98 -0.32 115.15 123.69 2a1f h HIS 75 Ca 0.07 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2a1f h HIS 75 Cb 0.72 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 2a1f h HIS 75 CO 0.03 0.92 0.13 0.52 0.86 0.00 0.00 177.93 180.39 2a1f h MET 76 N 1.11 0.40 -0.75 2.45 2.86 -1.24 -2.16 114.93 117.60 2a1f h MET 76 Ca 0.25 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.89 2a1f h MET 76 Cb 0.27 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.80 2a1f h MET 76 CO -0.01 0.39 0.44 0.78 1.06 0.00 0.00 176.91 179.57 2a1f h GLY 77 N 0.31 1.12 1.11 8.32 0.00 -1.23 -1.80 103.07 110.90 2a1f h GLY 77 Ca 0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 2a1f h GLY 77 CO -0.01 0.21 0.41 -0.33 0.00 0.00 0.00 176.54 176.81 2a1f h MET 78 N 0.81 1.15 -0.63 4.80 2.86 -0.82 -2.39 114.93 120.71 2a1f h MET 78 Ca 0.33 -0.16 -0.07 0.00 -2.06 0.00 0.00 59.70 57.74 2a1f h MET 78 Cb 0.18 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 2a1f h MET 78 CO -0.18 0.87 0.10 -0.07 1.06 0.00 0.00 176.91 178.70 2a1f h LEU 79 N 1.15 1.00 -1.41 1.22 3.38 -0.93 -2.78 115.31 116.95 2a1f h LEU 79 Ca 0.28 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 58.09 2a1f h LEU 79 Cb 0.09 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 2a1f h LEU 79 CO -0.04 1.01 0.49 0.00 0.09 0.00 0.00 178.44 179.99 2a1f h ALA 80 N 1.03 1.82 -0.11 1.53 0.00 -1.16 -1.99 119.26 120.39 2a1f h ALA 80 Ca 0.19 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2a1f h ALA 80 Cb 0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2a1f h ALA 80 CO 0.01 0.03 -0.27 1.79 0.00 0.00 0.00 179.25 180.81 2a1f h THR 81 N 0.66 1.24 -0.41 0.00 1.35 -1.15 -1.77 112.91 112.82 2a1f h THR 81 Ca 0.35 -1.12 -0.09 0.00 -0.55 0.00 0.00 66.41 65.01 2a1f h THR 81 Cb 0.47 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 2a1f h THR 81 CO -0.13 0.33 -0.08 0.58 -0.25 0.00 0.00 175.52 175.98 2a1f h VAL 82 N 0.17 1.27 -0.65 6.82 2.07 -1.25 -0.77 116.25 123.91 2a1f h VAL 82 Ca 0.03 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.40 2a1f h VAL 82 Cb 0.57 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 2a1f h VAL 82 CO 0.04 0.39 0.42 0.24 0.02 0.00 0.00 177.57 178.68 2a1f h MET 83 N 0.61 0.82 -0.79 1.57 2.86 -1.27 -0.57 114.93 118.16 2a1f h MET 83 Ca 0.11 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2a1f h MET 83 Cb 0.60 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 2a1f h MET 83 CO 0.04 0.54 0.40 -0.91 1.06 0.00 0.00 176.91 178.04 2a1f h ASN 84 N 0.85 1.00 -0.32 1.22 2.35 -1.24 -2.55 115.58 116.88 2a1f h ASN 84 Ca 0.25 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.80 2a1f h ASN 84 Cb -0.06 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.04 2a1f h ASN 84 CO -0.07 0.83 -0.11 1.23 -1.65 0.00 0.00 177.43 177.66 2a1f h GLY 85 N 1.14 0.81 0.83 2.83 0.00 -0.64 -1.13 103.07 106.91 2a1f h GLY 85 Ca 0.27 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 2a1f h GLY 85 CO -0.04 0.55 0.02 1.41 0.00 0.00 0.00 176.54 178.48 2a1f h LEU 86 N 0.68 0.35 -0.78 3.11 3.38 -0.98 -0.48 115.31 120.59 2a1f h LEU 86 Ca 0.12 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.87 2a1f h LEU 86 Cb 0.58 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 2a1f h LEU 86 CO 0.04 0.54 0.46 0.00 0.09 0.00 0.00 178.44 179.57 2a1f h ALA 87 N 0.82 1.06 -0.31 1.53 0.00 -1.35 -1.71 119.26 119.29 2a1f h ALA 87 Ca 0.06 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2a1f h ALA 87 Cb 0.35 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2a1f h ALA 87 CO 0.01 0.16 -0.15 1.98 0.00 0.00 0.00 179.25 181.25 2a1f h MET 88 N 0.83 0.64 -0.67 0.00 1.85 -1.07 -1.57 114.93 114.95 2a1f h MET 88 Ca 0.35 -0.28 0.03 0.00 -0.61 0.00 0.00 59.70 59.18 2a1f h MET 88 Cb 0.20 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.17 2a1f h MET 88 CO -0.18 0.87 0.42 -0.09 -0.40 0.00 0.00 176.91 177.52 2a1f h ARG 89 N 0.40 0.79 -0.44 0.39 2.43 -0.97 -0.76 114.38 116.22 2a1f h ARG 89 Ca 0.07 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2a1f h ARG 89 Cb 0.67 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2a1f h ARG 89 CO 0.05 0.52 0.14 0.22 -1.51 0.00 0.00 179.97 179.39 2a1f h ASP 90 N 0.82 0.64 -0.64 -3.80 3.58 -1.19 -1.70 116.42 114.13 2a1f h ASP 90 Ca 0.27 -0.20 -0.04 0.00 0.42 0.00 0.00 57.03 57.47 2a1f h ASP 90 Cb 0.01 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.87 2a1f h ASP 90 CO -0.10 0.68 0.26 0.77 -2.88 0.00 0.00 179.24 177.96 2a1f h SER 91 N 0.58 0.89 -0.52 2.28 4.64 -0.97 -0.21 113.55 120.23 2a1f h SER 91 Ca 0.14 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 2a1f h SER 91 Cb 0.26 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2a1f h SER 91 CO -0.00 0.82 0.25 -0.07 -0.87 0.00 0.00 176.83 176.95 2a1f h LEU 92 N 0.90 0.68 -0.73 5.97 3.38 -1.06 -0.92 115.31 123.54 2a1f h LEU 92 Ca 0.21 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.13 2a1f h LEU 92 Cb 0.21 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 2a1f h LEU 92 CO -0.02 0.62 0.40 0.15 0.09 0.00 0.00 178.44 179.68 2a1f h PHE 93 N 0.70 0.72 0.00 1.13 3.57 -0.92 0.14 116.94 122.28 2a1f h PHE 93 Ca 0.18 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 2a1f h PHE 93 Cb 0.12 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 2a1f h PHE 93 CO -0.01 0.32 -0.21 0.00 -2.23 0.00 0.00 178.31 176.18 2a1f h ARG 94 N 0.70 0.00 -0.37 1.11 3.08 -0.52 -1.80 114.38 116.58 2a1f h ARG 94 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 2a1f h ARG 94 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2a1f h ARG 94 CO -0.22 0.21 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 2a1f n ALA 95 N -2.25 2.52 -3.39 0.04 0.00 -0.40 -4.92 120.51 112.11 2a1f n ALA 95 Ca -0.00 -0.57 -0.19 0.00 0.00 0.00 0.00 53.44 52.67 2a1f n ALA 95 Cb 0.39 -0.98 0.07 0.00 0.00 0.00 0.00 19.45 18.92 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 0.39 -5.22 -4.32 0.00 9.92 -0.68 -5.01 116.55 111.64 2a1f n ASP 96 Ca 0.10 -0.46 -0.33 0.00 -0.53 0.00 0.00 54.79 53.57 2a1f n ASP 96 Cb 0.30 -4.31 -0.15 0.00 -0.64 0.00 0.00 41.12 36.32 2a1f n ASP 96 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2a1f s VAL 97 N -3.27 2.86 -0.27 2.53 1.01 0.40 -5.01 120.40 118.64 2a1f s VAL 97 Ca 0.43 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 2a1f s VAL 97 Cb -0.19 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 2a1f s VAL 97 CO 0.61 0.52 1.52 0.21 0.00 0.00 0.00 175.10 177.96 2a1f s ASN 98 N 0.58 6.42 0.01 3.32 3.84 -1.26 -3.55 114.94 124.31 2a1f s ASN 98 Ca -0.08 1.40 -0.02 0.00 0.21 0.00 0.00 52.86 54.37 2a1f s ASN 98 Cb -0.16 -2.53 -0.01 0.00 -0.55 0.00 0.00 41.25 38.00 2a1f s ASN 98 CO 0.03 -1.26 0.01 0.00 -2.79 0.00 0.00 177.10 173.10 2a1f s ALA 99 N 5.11 0.00 0.05 1.71 0.00 -1.26 -1.47 121.76 125.89 2a1f s ALA 99 Ca 0.67 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 52.25 2a1f s ALA 99 Cb -0.21 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 2a1f s ALA 99 CO 0.28 -0.15 -0.14 0.15 0.00 0.00 0.00 175.76 175.90 2a1f s LYS 100 N -1.29 0.88 -0.17 0.00 -0.14 0.13 -4.96 119.74 114.19 2a1f s LYS 100 Ca -0.14 -0.80 -0.03 0.00 -1.36 0.00 0.00 55.97 53.64 2a1f s LYS 100 Cb -0.08 -0.88 -0.02 0.00 -1.68 0.00 0.00 37.83 35.17 2a1f s LYS 100 CO -0.00 0.21 -0.06 -1.17 -0.76 0.00 0.00 175.35 173.56 2a1f s LEU 101 N -1.30 2.98 -0.05 3.17 2.96 -1.26 -0.54 118.68 124.64 2a1f s LEU 101 Ca 0.00 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 2a1f s LEU 101 Cb -0.08 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 2a1f s LEU 101 CO 0.01 0.10 -0.17 -0.04 -1.32 0.00 0.00 176.35 174.93 2a1f s MET 102 N 0.79 2.44 0.01 1.98 -1.94 0.50 -1.53 119.30 121.55 2a1f s MET 102 Ca -0.02 -0.75 0.07 0.00 -1.71 0.00 0.00 55.69 53.28 2a1f s MET 102 Cb -0.15 -2.31 -0.02 0.00 2.01 0.00 0.00 34.83 34.36 2a1f s MET 102 CO 0.02 0.60 -0.23 0.45 -0.01 0.00 0.00 175.02 175.84 2a1f s SER 103 N -0.67 2.71 0.48 3.03 0.15 -0.58 -0.78 113.70 118.03 2a1f s SER 103 Ca 0.10 -0.47 0.19 0.00 0.70 0.00 0.00 55.95 56.48 2a1f s SER 103 Cb -0.11 -0.28 1.18 0.00 -1.71 0.00 0.00 66.02 65.11 2a1f s SER 103 CO 0.00 0.25 2.03 0.00 1.20 0.00 0.00 173.24 176.73 2a1f h ALA 104 N 5.28 1.57 -2.68 5.45 0.00 -1.51 -0.11 119.26 127.27 2a1f h ALA 104 Ca -0.42 -0.14 -0.62 0.00 0.00 0.00 0.00 54.91 53.73 2a1f h ALA 104 Cb 1.14 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 2a1f h ALA 104 CO 0.46 0.19 -0.32 -0.06 0.00 0.00 0.00 179.25 179.53 2a1f s PHE 105 N -4.52 3.64 0.02 0.00 2.99 -1.26 -4.79 117.98 114.06 2a1f s PHE 105 Ca -0.04 0.76 -0.34 0.00 0.00 0.00 0.00 56.93 57.31 2a1f s PHE 105 Cb 0.15 -2.12 -0.13 0.00 0.00 0.00 0.00 43.02 40.92 2a1f s PHE 105 CO 0.66 0.64 1.72 0.94 -0.00 0.00 0.00 175.22 179.18 2a1f n GLN 106 N 1.56 2.08 -3.50 0.44 7.27 -1.26 -4.81 117.38 119.16 2a1f n GLN 106 Ca -0.14 0.76 -0.28 0.00 0.07 0.00 0.00 57.00 57.41 2a1f n GLN 106 Cb 0.53 -2.56 -0.11 0.00 2.41 0.00 0.00 30.24 30.52 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 2.53 1.88 0.28 1.69 1.43 -1.26 -5.10 118.68 120.13 2a1f s LEU 107 Ca 0.87 -2.99 -0.30 0.00 -1.03 0.00 0.00 54.13 50.67 2a1f s LEU 107 Cb -0.71 -0.63 -0.12 0.00 0.03 0.00 0.00 46.19 44.76 2a1f s LEU 107 CO 0.46 -0.19 1.62 0.59 0.23 0.00 0.00 176.35 179.06 2a1f n ASN 108 N 2.99 3.88 0.00 2.29 5.03 -1.26 -1.77 115.26 126.42 2a1f n ASN 108 Ca 0.24 1.13 0.00 0.00 0.87 0.00 0.00 54.58 56.82 2a1f n ASN 108 Cb 0.43 -1.59 0.00 0.00 -1.02 0.00 0.00 39.78 37.60 2a1f n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2a1f n GLY 109 N 2.51 3.03 0.29 7.41 0.00 -1.26 -4.82 105.19 112.35 2a1f n GLY 109 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 1.25 -3.83 -0.61 5.41 -0.73 -5.10 119.36 113.76 2a1f n ILE 110 Ca 0.00 -0.33 -0.07 0.00 1.00 0.00 0.00 62.75 63.35 2a1f n ILE 110 Cb 0.00 -1.79 0.02 0.00 -0.71 0.00 0.00 39.64 37.16 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 -3.14 6.30 0.02 0.00 1.11 -0.58 -4.52 116.67 115.87 2a1f s ASP 112 Ca 0.17 1.60 -0.20 0.00 0.18 0.00 0.00 52.55 54.30 2a1f s ASP 112 Cb -0.04 -2.51 -0.06 0.00 1.07 0.00 0.00 42.92 41.38 2a1f s ASP 112 CO 0.09 -0.81 0.59 -0.89 1.18 0.00 0.00 175.17 175.33 2a1f s THR 113 N -2.70 4.85 0.15 -1.27 2.01 -1.26 -1.53 115.64 115.89 2a1f s THR 113 Ca 0.59 1.24 -0.31 0.00 0.31 0.00 0.00 61.69 63.52 2a1f s THR 113 Cb -0.12 -3.93 -0.10 0.00 0.01 0.00 0.00 72.50 68.37 2a1f s THR 113 CO 0.37 0.46 1.67 -0.47 -0.69 0.00 0.00 174.62 175.97 2a1f s TYR 114 N -0.47 2.71 -0.06 4.92 5.04 -0.05 -4.75 117.35 124.69 2a1f s TYR 114 Ca 0.30 0.37 -0.02 0.00 -2.44 0.00 0.00 57.07 55.28 2a1f s TYR 114 Cb -0.19 -4.04 0.04 0.00 0.35 0.00 0.00 41.96 38.13 2a1f s TYR 114 CO 0.18 -4.01 0.12 1.21 -1.34 0.00 0.00 175.55 171.70 2a1f s ASN 115 N 1.73 0.36 0.19 4.32 3.84 -1.26 -5.00 114.94 119.12 2a1f s ASN 115 Ca 0.74 0.23 -0.12 0.00 0.21 0.00 0.00 52.86 53.93 2a1f s ASN 115 Cb -0.45 0.12 0.11 0.00 -0.55 0.00 0.00 41.25 40.49 2a1f s ASN 115 CO 0.33 -0.19 1.84 4.11 -2.79 0.00 0.00 177.10 180.39 2a1f h TRP 116 N 7.77 0.86 0.08 0.43 5.08 -1.95 -1.04 115.95 127.18 2a1f h TRP 116 Ca -0.30 0.00 -0.25 0.00 1.08 0.00 0.00 58.89 59.42 2a1f h TRP 116 Cb 1.13 -0.28 0.00 0.00 -3.00 0.00 0.00 29.16 27.00 2a1f h TRP 116 CO 0.45 0.57 -1.13 0.66 -1.28 0.00 0.00 178.44 177.71 2a1f h SER 117 N 0.89 0.40 -0.78 0.11 4.64 -1.98 -1.89 113.55 114.94 2a1f h SER 117 Ca 0.24 -0.40 0.04 0.00 -0.47 0.00 0.00 61.79 61.20 2a1f h SER 117 Cb -0.04 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 61.88 2a1f h SER 117 CO -0.05 1.27 0.52 -0.33 -0.87 0.00 0.00 176.83 177.37 2a1f h GLU 118 N 0.10 0.92 -0.37 4.77 4.39 -1.97 -0.71 114.58 121.70 2a1f h GLU 118 Ca -0.11 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 2a1f h GLU 118 Cb 1.84 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 30.27 2a1f h GLU 118 CO 0.18 0.61 -0.11 0.00 -1.16 0.00 0.00 179.01 178.53 2a1f h ALA 119 N 1.55 0.51 -0.99 3.43 0.00 -1.02 -1.58 119.26 121.15 2a1f h ALA 119 Ca 0.32 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2a1f h ALA 119 Cb 0.07 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2a1f h ALA 119 CO -0.10 0.38 0.66 0.82 0.00 0.00 0.00 179.25 181.02 2a1f h ILE 120 N 0.52 1.24 -0.48 0.00 2.04 -1.10 -1.02 117.51 118.71 2a1f h ILE 120 Ca 0.09 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.42 2a1f h ILE 120 Cb 0.64 -0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 2a1f h ILE 120 CO 0.04 0.24 0.01 0.11 0.00 0.00 0.00 178.15 178.55 2a1f h LYS 121 N 1.33 0.84 -0.41 2.37 1.57 -0.94 -0.87 116.57 120.47 2a1f h LYS 121 Ca 0.37 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 2a1f h LYS 121 Cb -0.12 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 2a1f h LYS 121 CO -0.09 0.88 -0.08 0.52 -0.57 0.00 0.00 179.45 180.11 2a1f h MET 122 N 0.70 0.70 -0.40 3.15 2.86 -1.03 -1.83 114.93 119.08 2a1f h MET 122 Ca 0.14 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.48 2a1f h MET 122 Cb 0.50 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 2a1f h MET 122 CO 0.02 0.77 -0.10 -0.07 1.06 0.00 0.00 176.91 178.60 2a1f h LEU 123 N 0.64 0.79 -1.60 1.22 3.38 -0.92 -0.76 115.31 118.06 2a1f h LEU 123 Ca 0.12 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2a1f h LEU 123 Cb 0.52 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2a1f h LEU 123 CO 0.03 0.97 0.18 0.03 0.09 0.00 0.00 178.44 179.74 2a1f h ARG 124 N 0.60 0.45 0.00 1.13 3.08 -1.04 0.24 114.38 118.83 2a1f h ARG 124 Ca 0.10 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2a1f h ARG 124 Cb 0.63 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2a1f h ARG 124 CO 0.04 0.33 0.00 0.39 -1.07 0.00 0.00 179.97 179.66 2a1f n GLU 125 N -4.45 0.76 -2.73 0.04 1.02 -0.70 -4.90 120.64 109.69 2a1f n GLU 125 Ca 0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.04 2a1f n GLU 125 Cb 0.10 -1.38 0.02 0.00 -0.02 0.00 0.00 31.44 30.16 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 -0.88 -2.86 -3.90 3.49 5.02 0.07 -5.01 118.16 114.10 2a1f n LYS 126 Ca 0.14 0.47 -0.36 0.00 -2.02 0.00 0.00 58.31 56.53 2a1f n LYS 126 Cb 0.06 -4.41 -0.06 0.00 -0.02 0.00 0.00 35.03 30.60 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 -5.23 3.43 -0.02 1.97 0.52 -0.32 -4.85 118.95 114.44 2a1f s ARG 127 Ca 0.18 -0.17 -0.30 0.00 -0.52 0.00 0.00 55.73 54.93 2a1f s ARG 127 Cb -0.08 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 32.17 2a1f s ARG 127 CO 0.23 0.76 1.35 0.08 0.02 0.00 0.00 175.30 177.74 2a1f s VAL 128 N -1.07 3.87 -0.22 3.52 1.01 -0.55 -4.17 120.40 122.79 2a1f s VAL 128 Ca 0.17 1.23 -0.05 0.00 0.00 0.00 0.00 61.98 63.33 2a1f s VAL 128 Cb -0.12 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 2a1f s VAL 128 CO 0.06 -0.00 0.00 -0.69 0.00 0.00 0.00 175.10 174.47 2a1f s VAL 129 N 2.37 3.80 -0.18 2.92 1.01 -0.80 -0.69 120.40 128.83 2a1f s VAL 129 Ca 0.62 -0.35 -0.13 0.00 0.00 0.00 0.00 61.98 62.11 2a1f s VAL 129 Cb -0.29 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 2a1f s VAL 129 CO 0.25 0.40 0.26 -0.63 0.00 0.00 0.00 175.10 175.38 2a1f s ILE 130 N 1.39 5.32 -0.20 2.22 1.01 0.29 -0.58 121.20 130.66 2a1f s ILE 130 Ca 0.05 0.46 -0.06 0.00 0.00 0.00 0.00 60.65 61.09 2a1f s ILE 130 Cb -0.15 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 2a1f s ILE 130 CO 0.00 0.38 0.03 -0.36 0.00 0.00 0.00 174.94 174.99 2a1f s PHE 131 N 0.59 3.10 0.35 3.97 0.40 0.65 -0.37 117.98 126.67 2a1f s PHE 131 Ca 0.14 -0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.24 2a1f s PHE 131 Cb -0.13 -2.09 -0.05 0.00 0.51 0.00 0.00 43.02 41.26 2a1f s PHE 131 CO 0.03 -0.11 0.08 -1.54 0.70 0.00 0.00 175.22 174.38 2a1f s SER 132 N 0.82 2.38 -1.16 1.36 1.04 0.04 -3.65 113.70 114.53 2a1f s SER 132 Ca 0.02 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 54.98 2a1f s SER 132 Cb -0.14 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2a1f s SER 132 CO 0.02 -0.72 0.00 0.00 0.98 0.00 0.00 173.24 173.52 2a1f n ALA 133 N -0.74 -0.32 -0.46 5.32 0.00 -1.25 -1.55 120.51 121.52 2a1f n ALA 133 Ca -0.03 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2a1f n ALA 133 Cb 0.66 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.14 3.05 0.99 0.00 0.00 -1.26 -1.71 105.19 105.12 2a1f n GLY 134 Ca -0.14 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 1.19 -0.31 2.61 -2.24 -1.26 -4.56 114.28 109.71 2a1f n THR 135 Ca 0.00 -1.09 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 2a1f n THR 135 Cb 0.00 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.87 2.17 3.56 3.38 0.00 -0.70 -5.01 105.19 109.46 2a1f n GLY 136 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.54 4.35 0.92 1.61 0.01 -1.26 -5.07 114.94 111.96 2a1f s ASN 137 Ca 0.00 -0.33 -0.13 0.00 -0.71 0.00 0.00 52.86 51.69 2a1f s ASN 137 Cb 0.00 -0.86 0.15 0.00 0.41 0.00 0.00 41.25 40.94 2a1f s ASN 137 CO 0.00 0.22 1.14 -2.16 -1.51 0.00 0.00 177.10 174.79 2a1f s PRO 138 N -1.85 1.04 -0.81 -0.60 0.04 -1.26 -4.27 135.00 127.28 2a1f s PRO 138 Ca 0.19 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.48 2a1f s PRO 138 Cb -0.11 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2a1f s PRO 138 CO 0.11 -2.26 0.00 1.19 0.04 0.00 0.00 177.00 176.08 2a1f n PHE 139 N -3.80 0.00 -4.29 0.56 3.72 -1.26 -5.01 117.46 107.38 2a1f n PHE 139 Ca 0.07 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.24 2a1f n PHE 139 Cb 0.59 -1.77 -0.17 0.00 -0.94 0.00 0.00 39.48 37.20 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 -2.12 1.13 0.76 1.38 0.40 -1.26 -5.13 117.98 113.14 2a1f s PHE 140 Ca 0.00 -0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 55.81 2a1f s PHE 140 Cb 0.00 -0.91 0.05 0.00 0.51 0.00 0.00 43.02 42.66 2a1f s PHE 140 CO 0.00 -0.27 1.08 0.95 0.70 0.00 0.00 175.22 177.68 2a1f s THR 141 N 0.95 3.42 0.36 0.64 -4.23 -1.26 -4.87 115.64 110.65 2a1f s THR 141 Ca -0.10 0.46 0.07 0.00 -1.18 0.00 0.00 61.69 60.94 2a1f s THR 141 Cb -0.15 -3.22 0.30 0.00 1.34 0.00 0.00 72.50 70.78 2a1f s THR 141 CO 0.00 -0.60 1.92 0.74 -0.54 0.00 0.00 174.62 176.14 2a1f h THR 142 N -0.94 0.95 -0.51 3.99 2.02 -1.99 -1.56 112.91 114.88 2a1f h THR 142 Ca -0.46 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 66.50 2a1f h THR 142 Cb 1.25 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 2a1f h THR 142 CO 0.59 0.14 0.27 0.44 0.37 0.00 0.00 175.52 177.32 2a1f h ASP 143 N 0.75 0.40 -0.76 4.18 3.32 -1.99 0.28 116.42 122.61 2a1f h ASP 143 Ca 0.37 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.42 2a1f h ASP 143 Cb 0.44 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 2a1f h ASP 143 CO -0.14 0.28 0.38 0.28 -1.72 0.00 0.00 179.24 178.32 2a1f h SER 144 N 0.53 0.98 -0.24 6.45 0.02 -1.74 -1.50 113.55 118.06 2a1f h SER 144 Ca 0.22 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2a1f h SER 144 Cb 0.10 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2a1f h SER 144 CO -0.14 0.82 0.14 0.74 -1.14 0.00 0.00 176.83 177.25 2a1f h THR 145 N 1.08 1.03 -0.47 -2.27 2.02 -0.97 -1.19 112.91 112.15 2a1f h THR 145 Ca 0.27 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.35 2a1f h THR 145 Cb 0.08 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 2a1f h THR 145 CO -0.04 0.05 0.31 0.00 0.37 0.00 0.00 175.52 176.22 2a1f h ALA 146 N 1.10 0.60 -0.57 6.16 0.00 -0.60 -0.81 119.26 125.14 2a1f h ALA 146 Ca 0.09 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2a1f h ALA 146 Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2a1f h ALA 146 CO -0.04 0.05 0.13 0.00 0.00 0.00 0.00 179.25 179.39 2a1f h LEU 148 N 0.82 -0.23 -0.42 0.00 5.85 -0.96 -1.48 115.31 118.89 2a1f h LEU 148 Ca 0.18 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2a1f h LEU 148 Cb 0.35 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2a1f h LEU 148 CO 0.00 -0.02 0.12 0.03 -0.34 0.00 0.00 178.44 178.23 2a1f h ARG 149 N -0.44 0.66 -0.39 1.25 2.47 -1.12 -1.41 114.38 115.40 2a1f h ARG 149 Ca -0.03 -0.15 0.08 0.00 -1.26 0.00 0.00 59.98 58.63 2a1f h ARG 149 Cb 0.33 -0.09 -0.09 0.00 -1.65 0.00 0.00 29.97 28.47 2a1f h ARG 149 CO 0.05 0.66 -0.26 0.78 0.56 0.00 0.00 179.97 181.76 2a1f h GLY 150 N 0.54 -0.07 0.74 0.04 0.00 -1.06 -0.63 103.07 102.63 2a1f h GLY 150 Ca 0.13 0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.83 2a1f h GLY 150 CO -0.00 -0.21 0.19 -2.22 0.00 0.00 0.00 176.54 174.30 2a1f h ILE 151 N -0.19 0.94 -0.25 2.60 2.04 -1.07 0.29 117.51 121.87 2a1f h ILE 151 Ca 0.18 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 2a1f h ILE 151 Cb 0.49 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2a1f h ILE 151 CO -0.50 0.07 -0.01 -0.33 0.00 0.00 0.00 178.15 177.38 2a1f h GLU 152 N 0.38 0.45 -0.20 2.37 5.08 -0.81 -2.44 114.58 119.41 2a1f h GLU 152 Ca 0.18 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2a1f h GLU 152 Cb 0.11 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2a1f h GLU 152 CO -0.15 0.62 0.00 0.44 -1.00 0.00 0.00 179.01 178.93 2a1f n ILE 153 N -4.62 0.27 -3.61 3.13 -6.64 -0.28 -4.93 119.36 102.67 2a1f n ILE 153 Ca -0.04 -0.30 -0.23 0.00 -1.77 0.00 0.00 62.75 60.42 2a1f n ILE 153 Cb 0.25 0.16 0.07 0.00 -1.44 0.00 0.00 39.64 38.68 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 0.14 -7.15 -1.71 6.28 1.02 -0.72 -4.90 120.64 113.59 2a1f n GLU 154 Ca 0.10 0.79 -0.37 0.00 -0.02 0.00 0.00 57.16 57.66 2a1f n GLU 154 Cb 0.22 -5.78 0.07 0.00 -0.02 0.00 0.00 31.44 25.92 2a1f n GLU 154 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2a1f n ALA 155 N -4.72 0.99 0.20 0.62 0.00 0.01 -4.92 120.51 112.68 2a1f n ALA 155 Ca -0.07 -0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.42 2a1f n ALA 155 Cb 0.59 -2.29 0.39 0.00 0.00 0.00 0.00 19.45 18.14 2a1f n ALA 155 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2a1f h ASP 156 N 0.50 0.00 -4.56 0.00 3.32 -0.84 -3.46 116.42 111.37 2a1f h ASP 156 Ca -0.51 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.58 2a1f h ASP 156 Cb 1.34 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.70 2a1f h ASP 156 CO 0.53 0.35 0.40 0.54 -1.72 0.00 0.00 179.24 179.33 2a1f s VAL 157 N -3.83 0.00 -0.28 -1.35 0.11 -1.25 -4.49 120.40 109.32 2a1f s VAL 157 Ca -0.01 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.96 2a1f s VAL 157 Cb 0.12 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 2a1f s VAL 157 CO 0.68 0.00 0.10 -0.69 -3.33 0.00 0.00 175.10 171.86 2a1f s VAL 158 N -1.77 4.35 -0.32 2.04 1.01 -0.76 -1.53 120.40 123.43 2a1f s VAL 158 Ca -0.03 -0.33 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 2a1f s VAL 158 Cb -0.00 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 2a1f s VAL 158 CO 0.01 0.21 0.60 -0.76 0.00 0.00 0.00 175.10 175.15 2a1f s LEU 159 N 1.60 4.19 -0.59 3.92 1.43 0.85 -1.26 118.68 128.81 2a1f s LEU 159 Ca 0.05 0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 53.28 2a1f s LEU 159 Cb -0.16 -2.75 0.12 0.00 0.03 0.00 0.00 46.19 43.43 2a1f s LEU 159 CO 0.04 -0.48 0.62 -0.75 0.23 0.00 0.00 176.35 176.02 2a1f s LYS 160 N 2.56 3.07 0.11 1.70 2.20 0.75 0.53 119.74 130.65 2a1f s LYS 160 Ca 0.23 -1.58 -0.31 0.00 -0.36 0.00 0.00 55.97 53.95 2a1f s LYS 160 Cb -0.15 -4.31 -0.08 0.00 -1.51 0.00 0.00 37.83 31.78 2a1f s LYS 160 CO 0.12 -1.43 1.41 0.00 -0.36 0.00 0.00 175.35 175.09 2a1f s ALA 161 N 2.02 3.60 0.30 3.13 0.00 -0.33 -2.34 121.76 128.15 2a1f s ALA 161 Ca 0.08 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.20 2a1f s ALA 161 Cb -0.26 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.30 2a1f s ALA 161 CO 0.03 -0.67 0.15 0.25 0.00 0.00 0.00 175.76 175.53 2a1f n THR 162 N 4.05 0.00 0.77 0.00 -2.24 -0.05 -4.48 114.28 112.33 2a1f n THR 162 Ca 0.12 -1.89 0.12 0.00 -2.27 0.00 0.00 64.05 60.13 2a1f n THR 162 Cb 0.42 0.77 0.25 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.64 2.24 -4.23 -0.78 4.76 -1.26 -1.39 118.16 116.86 2a1f n LYS 163 Ca -0.01 -1.85 -0.25 0.00 -2.87 0.00 0.00 58.31 53.33 2a1f n LYS 163 Cb 0.48 -1.47 -0.08 0.00 -1.84 0.00 0.00 35.03 32.11 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 -1.73 2.30 -0.67 -0.18 -7.23 -1.26 -4.90 120.40 106.74 2a1f s VAL 164 Ca 0.35 -1.77 0.26 0.00 -1.81 0.00 0.00 61.98 59.00 2a1f s VAL 164 Cb 0.21 -2.98 0.29 0.00 0.56 0.00 0.00 36.38 34.46 2a1f s VAL 164 CO 0.30 -0.02 1.76 0.44 -0.31 0.00 0.00 175.10 177.27 2a1f h ASP 165 N 1.52 0.00 0.00 4.85 3.45 -1.93 -1.93 116.42 122.38 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 1.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 2a1f h ASP 165 CO 0.71 0.00 0.00 0.61 -1.57 0.00 0.00 179.24 178.99 2a1f n GLY 166 N 1.12 -0.42 3.75 2.75 0.00 -1.26 -3.94 105.19 107.20 2a1f n GLY 166 Ca 0.05 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.59 5.13 0.42 1.61 1.01 -1.26 -4.97 120.40 118.76 2a1f s VAL 167 Ca 0.00 0.93 0.07 0.00 0.00 0.00 0.00 61.98 62.98 2a1f s VAL 167 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2a1f s VAL 167 CO 0.00 0.40 0.21 -0.31 0.00 0.00 0.00 175.10 175.39 2a1f s TYR 168 N 0.14 2.55 0.09 5.22 1.51 -1.26 0.01 117.35 125.62 2a1f s TYR 168 Ca 0.25 -0.60 -0.25 0.00 -1.01 0.00 0.00 57.07 55.46 2a1f s TYR 168 Cb -0.16 -1.97 -0.14 0.00 -0.11 0.00 0.00 41.96 39.58 2a1f s TYR 168 CO 0.11 0.12 1.70 -0.44 -1.11 0.00 0.00 175.55 175.93 2a1f h ASP 169 N 1.35 -0.28 0.00 2.29 3.32 -1.28 -3.46 116.42 118.35 2a1f h ASP 169 Ca -0.42 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2a1f h ASP 169 Cb 1.26 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.90 2a1f h ASP 169 CO 0.68 -0.18 0.00 0.00 -1.72 0.00 0.00 179.24 178.03 2a1f n ALA 178 N -3.07 0.00 -2.48 0.00 0.00 -1.26 -5.16 120.51 108.54 2a1f n ALA 178 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2a1f n ALA 178 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2a1f n ALA 178 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2a1f s LYS 179 N -4.53 4.61 -0.14 0.00 1.02 -1.26 -5.05 119.74 114.38 2a1f s LYS 179 Ca 0.00 1.37 -0.25 0.00 0.02 0.00 0.00 55.97 57.12 2a1f s LYS 179 Cb 0.00 -3.41 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 2a1f s LYS 179 CO 0.00 0.11 0.79 -1.17 -0.92 0.00 0.00 175.35 174.16 2a1f s LEU 180 N 0.44 4.21 0.25 3.17 2.96 -1.26 -0.67 118.68 127.79 2a1f s LEU 180 Ca 0.48 1.17 -0.30 0.00 -0.22 0.00 0.00 54.13 55.26 2a1f s LEU 180 Cb -0.22 -3.19 -0.09 0.00 0.50 0.00 0.00 46.19 43.19 2a1f s LEU 180 CO 0.28 -0.32 1.04 -0.31 -1.32 0.00 0.00 176.35 175.72 2a1f s TYR 181 N 1.79 3.72 -0.20 5.38 1.51 0.10 -4.97 117.35 124.68 2a1f s TYR 181 Ca 0.38 1.76 -0.17 0.00 -1.01 0.00 0.00 57.07 58.03 2a1f s TYR 181 Cb -0.17 -3.18 -0.20 0.00 -0.11 0.00 0.00 41.96 38.30 2a1f s TYR 181 CO 0.14 -0.21 0.17 1.17 -1.11 0.00 0.00 175.55 175.70 2a1f n LYS 182 N 1.46 0.61 -3.91 -0.62 0.00 -1.26 -4.20 118.16 110.25 2a1f n LYS 182 Ca -0.01 0.47 -0.15 0.00 0.00 0.00 0.00 58.31 58.62 2a1f n LYS 182 Cb 0.46 -1.70 -0.15 0.00 0.00 0.00 0.00 35.03 33.63 2a1f n LYS 182 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2a1f s ASN 183 N -6.96 0.26 0.02 3.14 0.01 -1.26 -1.48 114.94 108.67 2a1f s ASN 183 Ca -0.29 -0.01 0.02 0.00 -0.71 0.00 0.00 52.86 51.87 2a1f s ASN 183 Cb 0.07 -0.11 -0.02 0.00 0.41 0.00 0.00 41.25 41.60 2a1f s ASN 183 CO 0.62 -0.06 -0.08 -0.76 -1.51 0.00 0.00 177.10 175.30 2a1f s LEU 184 N 0.65 2.15 0.52 0.60 1.43 0.80 -4.96 118.68 119.87 2a1f s LEU 184 Ca -0.06 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 52.63 2a1f s LEU 184 Cb -0.09 -0.27 -0.01 0.00 0.03 0.00 0.00 46.19 45.86 2a1f s LEU 184 CO -0.01 -0.07 0.80 -0.94 0.23 0.00 0.00 176.35 176.35 2a1f s SER 185 N -0.99 5.84 0.15 2.29 1.04 -1.26 -1.28 113.70 119.49 2a1f s SER 185 Ca -0.04 0.63 -0.17 0.00 0.48 0.00 0.00 55.95 56.85 2a1f s SER 185 Cb -0.07 -1.79 0.05 0.00 0.10 0.00 0.00 66.02 64.31 2a1f s SER 185 CO 0.00 -0.82 1.73 1.88 0.98 0.00 0.00 173.24 177.01 2a1f h TYR 186 N 0.11 0.08 -0.77 5.02 -1.99 -1.77 -2.48 116.97 115.17 2a1f h TYR 186 Ca -0.46 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.33 2a1f h TYR 186 Cb 1.24 0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.94 2a1f h TYR 186 CO 0.49 0.00 0.51 0.00 -0.00 0.00 0.00 178.16 179.16 2a1f h ALA 187 N 1.25 1.56 -0.74 3.88 0.00 -1.95 -2.37 119.26 120.89 2a1f h ALA 187 Ca 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2a1f h ALA 187 Cb 0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2a1f h ALA 187 CO -0.22 0.35 0.28 0.93 0.00 0.00 0.00 179.25 180.60 2a1f h GLU 188 N 0.92 1.11 -0.15 0.00 5.08 -1.86 -0.62 114.58 119.06 2a1f h GLU 188 Ca 0.31 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2a1f h GLU 188 Cb 0.08 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2a1f h GLU 188 CO -0.09 0.91 0.07 0.28 -1.00 0.00 0.00 179.01 179.18 2a1f h VAL 189 N 1.09 1.14 -0.44 3.13 2.07 -0.99 0.11 116.25 122.35 2a1f h VAL 189 Ca 0.25 -0.40 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 2a1f h VAL 189 Cb 0.22 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2a1f h VAL 189 CO -0.02 0.13 -0.11 0.40 0.02 0.00 0.00 177.57 177.99 2a1f h ILE 190 N 0.11 1.27 -0.50 4.57 2.04 -1.52 -0.84 117.51 122.65 2a1f h ILE 190 Ca 0.05 -1.22 -0.11 0.00 1.00 0.00 0.00 64.86 64.58 2a1f h ILE 190 Cb 0.14 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2a1f h ILE 190 CO -0.01 0.41 -0.13 0.44 0.00 0.00 0.00 178.15 178.86 2a1f h ASP 191 N 0.68 0.95 -0.08 1.72 3.32 -1.01 -2.81 116.42 119.18 2a1f h ASP 191 Ca 0.11 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.85 2a1f h ASP 191 Cb 0.65 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2a1f h ASP 191 CO 0.04 1.08 0.00 0.29 -1.72 0.00 0.00 179.24 178.93 2a1f n LYS 192 N -4.14 1.60 -3.97 3.56 5.02 0.36 -4.96 118.16 115.63 2a1f n LYS 192 Ca 0.01 -0.89 -0.28 0.00 -2.02 0.00 0.00 58.31 55.13 2a1f n LYS 192 Cb 0.41 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 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 0.09 -3.76 -2.86 1.97 1.02 -0.65 -4.98 120.64 111.47 2a1f n GLU 193 Ca 0.18 0.45 -0.30 0.00 -0.02 0.00 0.00 57.16 57.47 2a1f n GLU 193 Cb 0.31 -4.85 -0.03 0.00 -0.02 0.00 0.00 31.44 26.85 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 -7.04 3.83 -0.34 -4.62 1.43 -0.41 -5.04 118.68 106.49 2a1f s LEU 194 Ca 0.24 1.10 -0.07 0.00 -1.03 0.00 0.00 54.13 54.37 2a1f s LEU 194 Cb -0.13 -3.98 0.03 0.00 0.03 0.00 0.00 46.19 42.14 2a1f s LEU 194 CO 0.88 -0.40 0.11 -1.59 0.23 0.00 0.00 176.35 175.58 2a1f s LYS 195 N -3.89 2.71 0.01 1.70 -2.85 -1.26 -4.81 119.74 111.35 2a1f s LYS 195 Ca 0.51 -1.12 -0.01 0.00 -1.00 0.00 0.00 55.97 54.35 2a1f s LYS 195 Cb -0.10 -3.48 -0.01 0.00 -2.06 0.00 0.00 37.83 32.18 2a1f s LYS 195 CO 0.32 -0.64 -0.02 0.28 0.10 0.00 0.00 175.35 175.39 2a1f n VAL 196 N 4.84 0.41 -3.53 1.79 0.31 -1.26 -5.01 118.33 115.89 2a1f n VAL 196 Ca -0.13 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2a1f n VAL 196 Cb 0.45 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 2a1f n VAL 196 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2a1f n MET 197 N -3.21 1.06 -2.70 5.55 2.81 -1.26 -5.12 117.12 114.25 2a1f n MET 197 Ca -0.03 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.57 2a1f n MET 197 Cb 0.39 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.87 2a1f n MET 197 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2a1f s ASP 198 N -0.06 6.46 0.30 7.83 1.47 -1.26 -4.92 116.67 126.50 2a1f s ASP 198 Ca 0.00 1.16 0.06 0.00 1.18 0.00 0.00 52.55 54.95 2a1f s ASP 198 Cb 0.00 -2.34 0.76 0.00 -0.34 0.00 0.00 42.92 41.01 2a1f s ASP 198 CO 0.00 -0.48 1.76 0.25 0.68 0.00 0.00 175.17 177.37 2a1f h LEU 199 N 0.92 0.71 -0.43 2.11 5.85 -2.01 -1.77 115.31 120.69 2a1f h LEU 199 Ca -0.47 0.11 -0.18 0.00 0.84 0.00 0.00 57.88 58.18 2a1f h LEU 199 Cb 1.19 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 2a1f h LEU 199 CO 0.63 0.21 -0.67 0.77 -0.34 0.00 0.00 178.44 179.04 2a1f h SER 200 N 0.68 0.56 0.11 1.25 4.64 -1.98 -0.03 113.55 118.77 2a1f h SER 200 Ca 0.59 -0.34 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 2a1f h SER 200 Cb 0.98 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2a1f h SER 200 CO -0.42 1.07 -0.05 0.00 -0.87 0.00 0.00 176.83 176.56 2a1f h ALA 201 N 0.93 -0.14 -0.85 5.18 0.00 -1.70 -2.45 119.26 120.23 2a1f h ALA 201 Ca -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2a1f h ALA 201 Cb 1.24 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2a1f h ALA 201 CO 0.12 -0.50 0.51 0.35 0.00 0.00 0.00 179.25 179.73 2a1f h PHE 202 N -0.30 1.12 -0.69 0.00 3.57 -1.32 -1.79 116.94 117.54 2a1f h PHE 202 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 2a1f h PHE 202 Cb 0.25 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 2a1f h PHE 202 CO -0.02 0.75 0.34 1.15 -2.23 0.00 0.00 178.31 178.30 2a1f h THR 203 N 1.18 1.23 -0.02 4.41 2.02 -0.98 0.14 112.91 120.88 2a1f h THR 203 Ca 0.31 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 2a1f h THR 203 Cb -0.04 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2a1f h THR 203 CO -0.06 0.26 -0.00 0.25 0.37 0.00 0.00 175.52 176.34 2a1f h LEU 204 N 0.95 0.04 -0.40 2.58 5.85 -0.99 -0.19 115.31 123.15 2a1f h LEU 204 Ca 0.24 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.67 2a1f h LEU 204 Cb 0.10 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 2a1f h LEU 204 CO -0.03 0.39 -0.09 0.00 -0.34 0.00 0.00 178.44 178.36 2a1f h ALA 205 N 0.65 0.27 0.33 1.25 0.00 -1.26 -2.35 119.26 118.14 2a1f h ALA 205 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2a1f h ALA 205 Cb 0.37 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2a1f h ALA 205 CO 0.00 -0.45 -0.30 -0.09 0.00 0.00 0.00 179.25 178.41 2a1f h ARG 206 N 0.00 -0.62 -0.28 0.00 2.43 -0.54 0.82 114.38 116.20 2a1f h ARG 206 Ca 0.19 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.45 2a1f h ARG 206 Cb 0.29 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2a1f h ARG 206 CO -0.41 -0.41 0.19 -0.44 -1.51 0.00 0.00 179.97 177.39 2a1f h ASP 207 N -0.65 0.13 -0.02 -3.80 3.32 -0.97 -1.98 116.42 112.46 2a1f h ASP 207 Ca -0.02 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2a1f h ASP 207 Cb 0.58 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2a1f h ASP 207 CO -0.04 0.09 -0.19 1.41 -1.72 0.00 0.00 179.24 178.79 2a1f n HIS 208 N -4.48 0.00 -1.84 4.55 8.25 -0.89 -4.98 115.22 115.83 2a1f n HIS 208 Ca 0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.36 2a1f n HIS 208 Cb 0.24 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.32 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 1.37 0.54 3.63 -1.41 0.00 0.14 -4.97 105.19 104.50 2a1f n GLY 209 Ca 0.12 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.92 3.97 0.53 1.61 0.00 -0.37 -4.82 119.30 116.30 2a1f s MET 210 Ca 0.00 1.28 -0.20 0.00 0.00 0.00 0.00 55.69 56.77 2a1f s MET 210 Cb 0.00 -3.85 -0.06 0.00 0.00 0.00 0.00 34.83 30.91 2a1f s MET 210 CO 0.00 -1.05 1.11 -1.25 0.00 0.00 0.00 175.02 173.83 2a1f s PRO 211 N 4.04 3.46 -0.03 4.11 0.04 -1.26 -4.69 135.00 140.67 2a1f s PRO 211 Ca 0.55 1.55 0.05 0.00 0.04 0.00 0.00 61.00 63.20 2a1f s PRO 211 Cb -0.17 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 2a1f s PRO 211 CO 0.21 -0.75 -0.20 0.42 0.04 0.00 0.00 177.00 176.73 2a1f s ILE 212 N -1.82 1.59 -0.22 0.56 1.01 -0.65 -1.82 121.20 119.85 2a1f s ILE 212 Ca 0.72 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 60.49 2a1f s ILE 212 Cb -0.22 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 2a1f s ILE 212 CO 0.25 0.45 -0.04 -0.13 0.00 0.00 0.00 174.94 175.47 2a1f s ARG 213 N -0.21 3.37 -0.27 2.79 1.81 -0.39 -0.63 118.95 125.42 2a1f s ARG 213 Ca 0.01 -0.63 -0.12 0.00 -1.72 0.00 0.00 55.73 53.28 2a1f s ARG 213 Cb -0.10 -3.00 -0.05 0.00 -0.45 0.00 0.00 34.95 31.35 2a1f s ARG 213 CO 0.01 -0.20 0.22 0.08 -0.68 0.00 0.00 175.30 174.74 2a1f s VAL 214 N 1.48 5.29 0.18 3.52 1.01 0.08 -0.18 120.40 131.78 2a1f s VAL 214 Ca 0.06 0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 2a1f s VAL 214 Cb -0.14 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 2a1f s VAL 214 CO -0.03 0.25 0.30 0.72 0.00 0.00 0.00 175.10 176.34 2a1f s PHE 215 N 1.64 0.47 -0.66 5.22 -0.12 -0.99 -1.23 117.98 122.31 2a1f s PHE 215 Ca 0.09 -0.82 -0.23 0.00 -0.05 0.00 0.00 56.93 55.92 2a1f s PHE 215 Cb -0.15 -0.07 0.06 0.00 -0.63 0.00 0.00 43.02 42.23 2a1f s PHE 215 CO 0.09 -0.76 1.00 1.21 -0.05 0.00 0.00 175.22 176.71 2a1f s ASN 216 N -3.00 6.18 0.44 1.98 3.84 -0.73 -0.87 114.94 122.79 2a1f s ASN 216 Ca 0.20 -0.90 0.25 0.00 0.21 0.00 0.00 52.86 52.62 2a1f s ASN 216 Cb 0.03 -2.44 0.77 0.00 -0.55 0.00 0.00 41.25 39.06 2a1f s ASN 216 CO 0.03 -1.48 1.76 -0.03 -2.79 0.00 0.00 177.10 174.59 2a1f h MET 217 N 9.61 0.00 0.00 0.43 1.85 -1.49 -2.98 114.93 122.35 2a1f h MET 217 Ca -0.29 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.80 2a1f h MET 217 Cb 1.07 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.10 2a1f h MET 217 CO 1.19 0.16 0.00 0.41 -0.40 0.00 0.00 176.91 178.27 2a1f n GLY 218 N 0.50 -0.93 3.44 1.39 0.00 -1.25 -4.35 105.19 103.99 2a1f n GLY 218 Ca 0.01 -0.07 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 2a1f n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a1f s LYS 219 N -2.73 3.14 0.15 1.61 1.02 -1.13 -5.07 119.74 116.73 2a1f s LYS 219 Ca 0.13 -0.88 -0.34 0.00 0.02 0.00 0.00 55.97 54.90 2a1f s LYS 219 Cb 0.11 -4.12 -0.16 0.00 -0.52 0.00 0.00 37.83 33.14 2a1f s LYS 219 CO 0.28 -1.32 1.31 -2.30 -0.92 0.00 0.00 175.35 172.39 2a1f n PRO 220 N 6.41 1.39 0.00 -1.68 -0.02 -1.26 -1.65 135.00 138.19 2a1f n PRO 220 Ca -0.06 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2a1f n PRO 220 Cb 0.45 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 2.41 3.21 0.22 -1.23 0.00 -1.26 -4.94 105.19 103.59 2a1f n GLY 221 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 0.58 -0.41 4.61 0.00 -1.59 -1.43 119.26 121.02 2a1f h ALA 222 Ca 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2a1f h ALA 222 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2a1f h ALA 222 CO 0.00 0.27 0.16 1.25 0.00 0.00 0.00 179.25 180.93 2a1f h LEU 223 N 0.58 0.20 -0.49 0.00 5.85 -1.83 0.13 115.31 119.74 2a1f h LEU 223 Ca 0.14 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2a1f h LEU 223 Cb 0.33 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2a1f h LEU 223 CO 0.00 0.15 0.26 -0.09 -0.34 0.00 0.00 178.44 178.43 2a1f h ARG 224 N 0.34 0.69 -0.50 1.25 2.43 -1.89 -2.32 114.38 114.39 2a1f h ARG 224 Ca 0.19 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2a1f h ARG 224 Cb 0.15 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 2a1f h ARG 224 CO -0.18 0.55 0.33 1.96 -1.51 0.00 0.00 179.97 181.12 2a1f h GLN 225 N 0.65 0.65 -0.96 0.20 4.20 -0.81 -1.76 115.11 117.28 2a1f h GLN 225 Ca 0.17 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.91 2a1f h GLN 225 Cb 0.06 -0.15 -0.07 0.00 0.30 0.00 0.00 27.48 27.63 2a1f h GLN 225 CO -0.03 0.43 0.61 0.28 -0.67 0.00 0.00 178.83 179.45 2a1f h VAL 226 N 0.67 1.08 0.00 -0.54 2.07 -0.44 -2.69 116.25 116.39 2a1f h VAL 226 Ca 0.18 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.18 2a1f h VAL 226 Cb -0.07 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.55 2a1f h VAL 226 CO -0.04 0.20 -0.68 0.58 0.02 0.00 0.00 177.57 177.65 2a1f h VAL 227 N 1.11 1.19 -0.55 2.57 2.07 -1.18 -3.31 116.25 118.15 2a1f h VAL 227 Ca 0.41 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 65.33 2a1f h VAL 227 Cb 0.16 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2a1f h VAL 227 CO -0.17 0.66 0.00 0.35 0.02 0.00 0.00 177.57 178.43 2a1f n THR 228 N -3.31 1.89 0.00 2.57 -2.24 -0.68 -0.54 114.28 111.96 2a1f n THR 228 Ca 0.01 -1.30 0.00 0.00 -2.27 0.00 0.00 64.05 60.49 2a1f n THR 228 Cb 0.79 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 2a1f n THR 228 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a1f n GLY 229 N 0.76 -0.07 0.00 3.38 0.00 -1.04 -4.28 105.19 103.95 2a1f n GLY 229 Ca 0.24 -0.95 0.11 0.00 0.00 0.00 0.00 46.02 45.41 2a1f n GLY 229 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2a1f n THR 230 N -0.17 0.01 -0.00 2.61 -1.04 -1.26 -4.59 114.28 109.85 2a1f n THR 230 Ca 0.00 -0.03 -0.17 0.00 -2.04 0.00 0.00 64.05 61.80 2a1f n THR 230 Cb 0.00 0.70 -0.14 0.00 -1.82 0.00 0.00 70.33 69.07 2a1f n THR 230 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2a1f h GLU 231 N 0.00 0.19 -6.50 -2.82 4.39 -1.93 -3.46 114.58 104.46 2a1f h GLU 231 Ca 0.00 -0.30 -0.53 0.00 0.34 0.00 0.00 59.36 58.87 2a1f h GLU 231 Cb 0.53 0.11 0.02 0.00 -0.10 0.00 0.00 28.75 29.32 2a1f h GLU 231 CO 0.00 1.12 0.89 -1.21 -1.16 0.00 0.00 179.01 178.65 2a1f s GLU 232 N -2.47 4.24 1.90 2.33 0.41 -1.26 -4.83 118.70 119.00 2a1f s GLU 232 Ca -0.16 2.24 0.00 0.00 -0.41 0.00 0.00 54.97 56.64 2a1f s GLU 232 Cb -0.00 -3.41 0.00 0.00 -1.78 0.00 0.00 34.13 28.93 2a1f s GLU 232 CO 0.77 -0.62 0.00 0.41 -0.49 0.00 0.00 175.26 175.33 2a1f n GLY 233 N 3.79 -1.54 3.19 -1.39 0.00 -1.25 -4.80 105.19 103.19 2a1f n GLY 233 Ca 0.14 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 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 2.11 -0.12 2.61 2.01 -0.37 -4.62 115.64 117.27 2a1f s THR 234 Ca 0.00 -0.97 -0.11 0.00 0.31 0.00 0.00 61.69 60.92 2a1f s THR 234 Cb 0.00 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.63 2a1f s THR 234 CO 0.00 0.55 0.23 -0.89 -0.69 0.00 0.00 174.62 173.81 2a1f s THR 235 N 0.71 5.35 -0.17 -0.82 2.01 -0.55 -0.74 115.64 121.44 2a1f s THR 235 Ca -0.09 0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.32 2a1f s THR 235 Cb -0.16 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 68.85 2a1f s THR 235 CO 0.00 0.52 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.66 2a1f s ILE 236 N -0.40 1.84 0.33 1.82 1.09 0.20 -0.14 121.20 125.94 2a1f s ILE 236 Ca 0.16 -0.85 -0.02 0.00 -1.10 0.00 0.00 60.65 58.84 2a1f s ILE 236 Cb -0.13 -1.72 0.01 0.00 -1.06 0.00 0.00 42.46 39.56 2a1f s ILE 236 CO 0.05 0.46 0.45 0.00 -0.10 0.00 0.00 174.94 175.80 2a1f s GLU 238 N -2.76 4.22 0.75 0.00 2.12 -1.26 -2.06 118.70 119.72 2a1f s GLU 238 Ca 0.27 2.32 -0.15 0.00 0.36 0.00 0.00 54.97 57.77 2a1f s GLU 238 Cb -0.01 -3.29 0.04 0.00 0.26 0.00 0.00 34.13 31.13 2a1f s GLU 238 CO 0.20 -0.62 1.13 0.41 -0.54 0.00 0.00 175.26 175.83 2a1f n GLY 239 N 3.79 -0.08 0.13 -1.50 0.00 -1.26 -4.93 105.19 101.34 2a1f n GLY 239 Ca 0.14 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.90 2a1f n GLY 239 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2a1f n HIS 240 N -2.79 0.83 1.71 1.61 1.44 -1.26 -4.05 115.22 112.71 2a1f n HIS 240 Ca 0.14 0.32 0.14 0.00 -2.01 0.00 0.00 57.72 56.30 2a1f n HIS 240 Cb 0.50 -1.01 0.82 0.00 0.12 0.00 0.00 29.99 30.41 2a1f n HIS 240 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2a1f n HIS 241 N -2.25 0.00 1.16 -1.40 1.44 -1.26 -5.33 115.22 107.59 2a1f n HIS 241 Ca 0.02 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.86 2a1f n HIS 241 Cb 0.25 -0.03 0.24 0.00 0.12 0.00 0.00 29.99 30.56 2a1f n HIS 241 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25