#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rtj n ILE 2 N 0.00 0.00 -3.91 4.25 -5.35 -1.26 -4.66 119.36 108.43 1rtj n ILE 2 Ca 0.00 -0.06 -0.09 0.00 -0.27 0.00 0.00 62.75 62.32 1rtj n ILE 2 Cb 0.00 -0.24 -0.06 0.00 -1.74 0.00 0.00 39.64 37.60 1rtj n ILE 2 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1rtj s SER 3 N -1.41 -0.07 -0.63 7.28 0.01 -1.25 -4.57 113.70 113.05 1rtj s SER 3 Ca 0.31 -0.78 -0.03 0.00 1.31 0.00 0.00 55.95 56.77 1rtj s SER 3 Cb -0.00 0.51 0.25 0.00 0.21 0.00 0.00 66.02 66.99 1rtj s SER 3 CO 0.42 -1.00 2.29 -0.81 0.41 0.00 0.00 173.24 174.56 1rtj n PRO 4 N -0.29 2.52 -4.51 12.44 -0.04 -1.26 -4.85 135.00 139.01 1rtj n PRO 4 Ca -0.07 -2.86 -0.34 0.00 -0.04 0.00 0.00 63.50 60.20 1rtj n PRO 4 Cb 0.63 -2.16 -0.12 0.00 -0.04 0.00 0.00 33.50 31.81 1rtj n PRO 4 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1rtj s ILE 5 N -3.74 3.77 -0.41 0.52 1.10 -1.26 -5.06 121.20 116.12 1rtj s ILE 5 Ca 0.54 -0.42 -0.28 0.00 -0.51 0.00 0.00 60.65 59.99 1rtj s ILE 5 Cb 0.41 -2.61 -0.07 0.00 0.15 0.00 0.00 42.46 40.33 1rtj s ILE 5 CO -0.24 0.53 2.35 -0.62 -2.11 0.00 0.00 174.94 174.85 1rtj n GLU 6 N 3.07 1.30 -1.65 3.50 -0.58 -1.26 -4.82 120.64 120.21 1rtj n GLU 6 Ca -0.18 0.20 -0.42 0.00 -0.42 0.00 0.00 57.16 56.34 1rtj n GLU 6 Cb 0.53 -3.22 0.00 0.00 -0.57 0.00 0.00 31.44 28.18 1rtj n GLU 6 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1rtj n THR 7 N 7.84 2.27 -3.85 2.62 -1.04 -1.26 -5.01 114.28 115.86 1rtj n THR 7 Ca 0.36 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.51 1rtj n THR 7 Cb 0.47 -1.33 -0.07 0.00 -1.82 0.00 0.00 70.33 67.58 1rtj n THR 7 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1rtj s VAL 8 N -1.17 5.43 0.21 12.58 -7.23 -1.26 -4.95 120.40 124.01 1rtj s VAL 8 Ca 0.60 0.19 -0.30 0.00 -1.81 0.00 0.00 61.98 60.65 1rtj s VAL 8 Cb -0.57 -3.40 -0.09 0.00 0.56 0.00 0.00 36.38 32.87 1rtj s VAL 8 CO 0.59 0.56 1.32 -2.16 -0.31 0.00 0.00 175.10 175.10 1rtj s PRO 9 N -0.55 4.38 -0.01 4.82 0.04 -1.26 -4.04 135.00 138.38 1rtj s PRO 9 Ca 0.12 2.09 0.03 0.00 0.04 0.00 0.00 61.00 63.28 1rtj s PRO 9 Cb -0.12 -3.18 -0.00 0.00 0.04 0.00 0.00 34.50 31.24 1rtj s PRO 9 CO 0.02 -0.26 -0.10 0.08 0.04 0.00 0.00 177.00 176.78 1rtj s VAL 10 N 0.03 0.77 0.37 -0.36 1.01 -1.26 -5.07 120.40 115.88 1rtj s VAL 10 Ca 0.56 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 62.22 1rtj s VAL 10 Cb -0.37 -0.65 -0.07 0.00 0.00 0.00 0.00 36.38 35.28 1rtj s VAL 10 CO 0.39 0.22 -0.04 -0.54 0.00 0.00 0.00 175.10 175.14 1rtj s LYS 11 N -0.13 1.86 0.73 2.72 -0.14 -1.26 -4.64 119.74 118.87 1rtj s LYS 11 Ca 0.02 -2.00 -0.06 0.00 -1.36 0.00 0.00 55.97 52.56 1rtj s LYS 11 Cb -0.05 -1.60 0.08 0.00 -1.68 0.00 0.00 37.83 34.58 1rtj s LYS 11 CO -0.00 0.03 1.03 -0.51 -0.76 0.00 0.00 175.35 175.15 1rtj s LEU 12 N -3.64 2.85 0.31 3.17 1.43 -1.26 -1.78 118.68 119.77 1rtj s LEU 12 Ca 0.34 0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 53.44 1rtj s LEU 12 Cb 0.06 -2.84 -0.10 0.00 0.03 0.00 0.00 46.19 43.34 1rtj s LEU 12 CO 0.17 -1.74 1.27 -0.75 0.23 0.00 0.00 176.35 175.53 1rtj s LYS 13 N -5.28 4.41 0.00 1.70 2.20 -0.07 -4.18 119.74 118.51 1rtj s LYS 13 Ca 0.62 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 58.37 1rtj s LYS 13 Cb -0.09 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1rtj s LYS 13 CO 0.45 -0.13 0.00 -2.30 -0.36 0.00 0.00 175.35 173.02 1rtj n PRO 14 N 0.99 0.00 -3.18 4.03 -0.02 -1.26 -1.59 135.00 133.96 1rtj n PRO 14 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 1rtj n PRO 14 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 1rtj n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rtj n GLY 15 N 0.00 -1.21 3.26 -1.23 0.00 -1.26 -5.05 105.19 99.69 1rtj n GLY 15 Ca 0.00 0.63 -0.14 0.00 0.00 0.00 0.00 46.02 46.51 1rtj n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rtj s MET 16 N -3.27 1.20 0.23 1.61 -1.94 -0.62 -5.17 119.30 111.34 1rtj s MET 16 Ca 0.05 -1.61 0.09 0.00 -1.71 0.00 0.00 55.69 52.51 1rtj s MET 16 Cb -0.01 -0.21 -0.04 0.00 2.01 0.00 0.00 34.83 36.58 1rtj s MET 16 CO 0.78 -0.21 -0.05 0.34 -0.01 0.00 0.00 175.02 175.88 1rtj s ASP 17 N -3.21 4.39 0.64 3.03 2.15 -1.26 -4.90 116.67 117.51 1rtj s ASP 17 Ca 0.29 -0.63 -0.15 0.00 0.43 0.00 0.00 52.55 52.49 1rtj s ASP 17 Cb 0.07 -0.78 -0.01 0.00 -0.30 0.00 0.00 42.92 41.90 1rtj s ASP 17 CO 0.07 0.05 1.10 -0.83 -0.17 0.00 0.00 175.17 175.39 1rtj s GLY 18 N -3.30 2.18 0.40 2.66 0.00 -1.26 -4.88 107.32 103.11 1rtj s GLY 18 Ca 0.29 0.54 -0.26 0.00 0.00 0.00 0.00 44.72 45.28 1rtj s GLY 18 CO 0.18 0.88 1.29 -1.55 0.00 0.00 0.00 173.10 173.90 1rtj n PRO 19 N -2.27 2.03 -3.21 2.90 -0.04 -1.26 -4.95 135.00 128.20 1rtj n PRO 19 Ca 0.10 0.72 -0.23 0.00 -0.04 0.00 0.00 63.50 64.05 1rtj n PRO 19 Cb 0.52 -2.39 -0.07 0.00 -0.04 0.00 0.00 33.50 31.52 1rtj n PRO 19 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1rtj n LYS 20 N 0.20 0.54 -3.92 0.54 3.00 -1.25 -1.90 118.16 115.37 1rtj n LYS 20 Ca 0.06 -3.07 -0.34 0.00 -0.00 0.00 0.00 58.31 54.96 1rtj n LYS 20 Cb 0.39 -1.38 -0.14 0.00 0.00 0.00 0.00 35.03 33.90 1rtj n LYS 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1rtj s VAL 21 N -0.60 2.81 0.70 3.15 0.11 -1.22 -4.95 120.40 120.40 1rtj s VAL 21 Ca 0.34 -1.72 -0.17 0.00 -2.93 0.00 0.00 61.98 57.51 1rtj s VAL 21 Cb 0.13 -2.76 -0.06 0.00 -1.53 0.00 0.00 36.38 32.15 1rtj s VAL 21 CO -0.15 -0.30 0.37 1.17 -3.33 0.00 0.00 175.10 172.87 1rtj n LYS 22 N 4.53 0.27 -2.47 1.54 4.81 -1.26 -3.49 118.16 122.09 1rtj n LYS 22 Ca -0.08 0.12 -0.42 0.00 -0.87 0.00 0.00 58.31 57.06 1rtj n LYS 22 Cb 0.42 -1.67 -0.03 0.00 0.02 0.00 0.00 35.03 33.78 1rtj n LYS 22 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1rtj s GLN 23 N -2.44 4.37 0.89 1.64 2.00 -1.26 -4.45 119.66 120.42 1rtj s GLN 23 Ca 0.63 1.66 -0.11 0.00 -2.00 0.00 0.00 55.36 55.54 1rtj s GLN 23 Cb -0.37 -3.52 0.11 0.00 0.80 0.00 0.00 33.01 30.03 1rtj s GLN 23 CO 0.60 -0.40 1.00 0.91 -0.50 0.00 0.00 175.29 176.90 1rtj n TRP 24 N 4.96 0.46 -2.74 1.67 7.02 -1.26 -4.95 117.44 122.59 1rtj n TRP 24 Ca 0.10 0.37 -0.41 0.00 -1.02 0.00 0.00 57.50 56.54 1rtj n TRP 24 Cb 0.47 -1.98 -0.04 0.00 -2.42 0.00 0.00 31.31 27.33 1rtj n TRP 24 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1rtj s PRO 25 N -4.27 4.66 0.31 -0.99 0.04 -1.26 -4.86 135.00 128.63 1rtj s PRO 25 Ca 0.66 1.42 0.08 0.00 0.04 0.00 0.00 61.00 63.20 1rtj s PRO 25 Cb -0.24 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 1rtj s PRO 25 CO 0.58 0.17 0.14 -0.51 0.04 0.00 0.00 177.00 177.42 1rtj s LEU 26 N 0.19 3.36 0.28 -3.56 1.43 -1.26 -5.12 118.68 114.00 1rtj s LEU 26 Ca 0.47 -0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 52.64 1rtj s LEU 26 Cb -0.23 -1.88 -0.09 0.00 0.03 0.00 0.00 46.19 44.03 1rtj s LEU 26 CO 0.29 -0.21 1.00 -0.89 0.23 0.00 0.00 176.35 176.77 1rtj s THR 27 N -2.35 3.88 0.27 5.49 2.01 -1.26 -4.85 115.64 118.82 1rtj s THR 27 Ca 0.36 1.79 -0.01 0.00 0.31 0.00 0.00 61.69 64.14 1rtj s THR 27 Cb -0.04 -4.10 0.28 0.00 0.01 0.00 0.00 72.50 68.65 1rtj s THR 27 CO 0.23 0.35 1.66 -0.08 -0.69 0.00 0.00 174.62 176.09 1rtj h GLU 28 N 3.73 0.23 0.51 4.92 4.81 -1.97 0.67 114.58 127.47 1rtj h GLU 28 Ca -0.46 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.73 1rtj h GLU 28 Cb 1.20 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1rtj h GLU 28 CO 0.67 0.15 -0.27 1.49 -0.73 0.00 0.00 179.01 180.31 1rtj h GLU 29 N 0.23 -0.70 -1.09 1.92 4.81 -1.99 -0.36 114.58 117.40 1rtj h GLU 29 Ca 0.50 0.05 0.30 0.00 -0.13 0.00 0.00 59.36 60.08 1rtj h GLU 29 Cb 0.94 0.16 -0.07 0.00 0.63 0.00 0.00 28.75 30.41 1rtj h GLU 29 CO -0.60 -0.46 0.75 0.87 -0.73 0.00 0.00 179.01 178.83 1rtj h LYS 30 N -0.72 0.18 0.20 1.92 1.57 -1.42 -1.23 116.57 117.05 1rtj h LYS 30 Ca -0.07 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1rtj h LYS 30 Cb 0.56 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1rtj h LYS 30 CO 0.10 0.12 -0.09 0.82 -0.57 0.00 0.00 179.45 179.82 1rtj h ILE 31 N 0.18 0.00 -0.64 1.86 2.04 0.61 -2.14 117.51 119.43 1rtj h ILE 31 Ca 0.57 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 66.37 1rtj h ILE 31 Cb 1.87 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.87 1rtj h ILE 31 CO -0.15 0.00 -0.38 0.29 0.00 0.00 0.00 178.15 177.92 1rtj n LYS 32 N -3.02 -0.28 -0.23 2.37 5.02 -0.17 0.66 118.16 122.50 1rtj n LYS 32 Ca -0.03 0.99 -0.04 0.00 -2.02 0.00 0.00 58.31 57.20 1rtj n LYS 32 Cb 0.10 -1.45 0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1rtj n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rtj h ALA 33 N 0.29 0.03 -0.62 7.82 0.00 -1.29 -0.72 119.26 124.78 1rtj h ALA 33 Ca 0.10 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1rtj h ALA 33 Cb 0.26 0.79 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1rtj h ALA 33 CO -0.60 -0.65 0.24 -0.07 0.00 0.00 0.00 179.25 178.17 1rtj h LEU 34 N -0.13 0.86 -0.14 0.00 3.38 0.93 -1.32 115.31 118.89 1rtj h LEU 34 Ca 0.26 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1rtj h LEU 34 Cb 0.56 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1rtj h LEU 34 CO -0.73 0.80 0.04 0.58 0.09 0.00 0.00 178.44 179.23 1rtj h VAL 35 N 0.86 0.95 0.17 1.22 2.07 0.61 0.21 116.25 122.35 1rtj h VAL 35 Ca 0.20 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1rtj h VAL 35 Cb 0.22 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1rtj h VAL 35 CO -0.02 0.02 -0.14 -0.08 0.02 0.00 0.00 177.57 177.37 1rtj h GLU 36 N 0.10 -0.32 -0.98 1.57 4.22 -1.02 0.46 114.58 118.62 1rtj h GLU 36 Ca 0.06 0.02 0.19 0.00 0.08 0.00 0.00 59.36 59.71 1rtj h GLU 36 Cb 0.04 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.27 1rtj h GLU 36 CO -0.07 -0.21 0.61 0.82 -2.18 0.00 0.00 179.01 177.98 1rtj h ILE 37 N -0.33 0.72 -0.07 2.32 2.04 -0.92 -1.68 117.51 119.59 1rtj h ILE 37 Ca -0.00 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1rtj h ILE 37 Cb 0.30 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1rtj h ILE 37 CO -0.02 0.13 -0.15 0.00 0.00 0.00 0.00 178.15 178.11 1rtj h THR 39 N -0.25 0.81 0.31 0.00 1.35 0.72 0.54 112.91 116.38 1rtj h THR 39 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.85 1rtj h THR 39 Cb 0.73 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1rtj h THR 39 CO 0.03 0.00 -0.15 -0.08 -0.25 0.00 0.00 175.52 175.08 1rtj h GLU 40 N 0.00 -0.40 -0.58 4.72 4.57 -1.35 -2.96 114.58 118.59 1rtj h GLU 40 Ca 0.05 0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.32 1rtj h GLU 40 Cb 0.20 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 1rtj h GLU 40 CO -0.00 -0.07 0.38 1.98 -1.18 0.00 0.00 179.01 180.13 1rtj h MET 41 N -0.92 0.51 -0.28 1.92 4.05 -0.20 -2.19 114.93 117.82 1rtj h MET 41 Ca -0.04 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.31 1rtj h MET 41 Cb 0.51 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1rtj h MET 41 CO 0.07 0.34 0.04 1.49 0.23 0.00 0.00 176.91 179.08 1rtj h GLU 42 N 0.53 0.47 0.00 0.39 4.81 -0.03 -2.55 114.58 118.20 1rtj h GLU 42 Ca 0.25 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1rtj h GLU 42 Cb 0.31 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1rtj h GLU 42 CO -0.07 0.58 -0.46 0.87 -0.73 0.00 0.00 179.01 179.20 1rtj h LYS 43 N 0.28 0.00 0.00 1.92 1.79 -1.24 -1.99 116.57 117.33 1rtj h LYS 43 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1rtj h LYS 43 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1rtj h LYS 43 CO 0.01 0.46 0.00 0.39 -1.08 0.00 0.00 179.45 179.22 1rtj n GLU 44 N -3.48 0.64 -1.01 3.15 1.02 -0.89 -4.82 120.64 115.25 1rtj n GLU 44 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1rtj n GLU 44 Cb 0.59 -1.42 -0.00 0.00 -0.02 0.00 0.00 31.44 30.59 1rtj n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rtj n GLY 45 N 0.25 0.47 0.09 0.62 0.00 -0.75 -4.01 105.19 101.86 1rtj n GLY 45 Ca 0.13 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 1rtj n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rtj h LYS 46 N 0.60 0.20 -4.55 1.61 1.57 -1.57 -3.44 116.57 110.99 1rtj h LYS 46 Ca -0.01 -0.35 -0.22 0.00 -1.87 0.00 0.00 60.65 58.21 1rtj h LYS 46 Cb 0.05 0.13 -0.15 0.00 0.08 0.00 0.00 32.23 32.34 1rtj h LYS 46 CO 0.01 1.15 -0.65 0.96 -0.57 0.00 0.00 179.45 180.35 1rtj s ILE 47 N -2.66 0.25 -0.11 1.86 -4.36 -1.18 -0.74 121.20 114.25 1rtj s ILE 47 Ca -0.03 -1.94 -0.06 0.00 -0.26 0.00 0.00 60.65 58.36 1rtj s ILE 47 Cb 0.08 -2.12 0.05 0.00 1.25 0.00 0.00 42.46 41.71 1rtj s ILE 47 CO 0.87 -0.41 0.27 -0.44 0.24 0.00 0.00 174.94 175.46 1rtj s SER 48 N -3.10 -0.29 0.47 4.36 0.01 -0.78 -4.42 113.70 109.94 1rtj s SER 48 Ca 0.26 0.57 -0.23 0.00 1.31 0.00 0.00 55.95 57.86 1rtj s SER 48 Cb 0.07 0.47 -0.09 0.00 0.21 0.00 0.00 66.02 66.68 1rtj s SER 48 CO 0.04 -0.16 1.06 0.29 0.41 0.00 0.00 173.24 174.87 1rtj n LYS 49 N 4.09 1.37 -1.15 12.44 5.02 -1.26 -2.61 118.16 136.05 1rtj n LYS 49 Ca -0.24 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1rtj n LYS 49 Cb 0.54 -2.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 1rtj n LYS 49 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1rtj n ILE 50 N -0.75 0.00 -1.92 -0.18 -6.64 -0.54 -4.87 119.36 104.46 1rtj n ILE 50 Ca 0.10 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.08 1rtj n ILE 50 Cb 0.41 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.61 1rtj n ILE 50 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1rtj n GLY 51 N 1.00 5.08 0.34 3.28 0.00 -1.26 -4.57 105.19 109.05 1rtj n GLY 51 Ca 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 46.02 44.98 1rtj n GLY 51 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rtj h PRO 52 N 0.00 1.01 0.00 1.61 0.11 -2.00 -1.34 132.00 131.39 1rtj h PRO 52 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1rtj h PRO 52 Cb 0.00 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 30.88 1rtj h PRO 52 CO 0.00 0.67 0.16 1.49 -0.21 0.00 0.00 178.00 180.11 1rtj h GLU 53 N 1.04 0.00 -5.34 1.05 4.57 -2.03 -3.35 114.58 110.52 1rtj h GLU 53 Ca 0.40 0.00 -0.63 0.00 -1.18 0.00 0.00 59.36 57.96 1rtj h GLU 53 Cb 0.20 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 28.65 1rtj h GLU 53 CO -0.18 0.00 -0.00 1.21 -1.18 0.00 0.00 179.01 178.85 1rtj s ASN 54 N -4.40 6.40 0.19 1.04 3.84 -0.51 -4.88 114.94 116.62 1rtj s ASN 54 Ca -0.03 0.34 0.23 0.00 0.21 0.00 0.00 52.86 53.61 1rtj s ASN 54 Cb 0.09 -2.28 0.19 0.00 -0.55 0.00 0.00 41.25 38.69 1rtj s ASN 54 CO 0.27 -0.37 1.22 1.55 -2.79 0.00 0.00 177.10 176.98 1rtj h PRO 55 N 8.18 0.00 -7.40 0.43 0.13 -1.84 -3.47 132.00 128.03 1rtj h PRO 55 Ca -0.28 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.36 1rtj h PRO 55 Cb 1.13 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.38 1rtj h PRO 55 CO 0.74 0.00 0.32 0.71 -0.23 0.00 0.00 178.00 179.55 1rtj s TYR 56 N -3.26 2.74 -0.01 1.56 2.02 -1.26 -4.90 117.35 114.23 1rtj s TYR 56 Ca 0.03 1.17 -0.30 0.00 -0.37 0.00 0.00 57.07 57.60 1rtj s TYR 56 Cb 0.11 -3.13 0.10 0.00 -0.40 0.00 0.00 41.96 38.64 1rtj s TYR 56 CO 0.75 -1.88 1.08 1.21 -1.57 0.00 0.00 175.55 175.13 1rtj s ASN 57 N -3.82 -0.19 -0.02 2.29 2.47 -0.80 -4.66 114.94 110.21 1rtj s ASN 57 Ca 0.61 -0.14 -0.24 0.00 0.42 0.00 0.00 52.86 53.52 1rtj s ASN 57 Cb -0.15 0.30 0.05 0.00 -1.45 0.00 0.00 41.25 40.00 1rtj s ASN 57 CO 0.55 -0.53 0.52 -0.89 -3.72 0.00 0.00 177.10 173.03 1rtj s THR 58 N -2.83 0.03 0.13 -5.21 2.01 -1.11 -3.43 115.64 105.22 1rtj s THR 58 Ca 0.10 -0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 1rtj s THR 58 Cb 0.00 -0.86 -0.07 0.00 0.01 0.00 0.00 72.50 71.59 1rtj s THR 58 CO -0.04 -0.12 0.91 -2.16 -0.69 0.00 0.00 174.62 172.52 1rtj s PRO 59 N -1.46 4.68 -0.08 4.92 0.04 -1.25 -4.23 135.00 137.62 1rtj s PRO 59 Ca -0.11 1.36 -0.02 0.00 0.04 0.00 0.00 61.00 62.27 1rtj s PRO 59 Cb -0.02 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1rtj s PRO 59 CO 0.06 0.31 0.04 0.54 0.04 0.00 0.00 177.00 177.99 1rtj s VAL 60 N -0.33 4.56 0.24 -0.36 0.11 -1.26 -1.75 120.40 121.61 1rtj s VAL 60 Ca 0.43 -0.21 0.08 0.00 -2.93 0.00 0.00 61.98 59.36 1rtj s VAL 60 Cb -0.23 -2.96 -0.05 0.00 -1.53 0.00 0.00 36.38 31.61 1rtj s VAL 60 CO 0.29 0.56 -0.13 -0.36 -3.33 0.00 0.00 175.10 172.13 1rtj s PHE 61 N -0.96 1.88 -0.27 1.54 0.08 0.14 -4.68 117.98 115.71 1rtj s PHE 61 Ca 0.15 -0.56 0.01 0.00 0.12 0.00 0.00 56.93 56.65 1rtj s PHE 61 Cb -0.12 -0.91 0.08 0.00 -0.57 0.00 0.00 43.02 41.50 1rtj s PHE 61 CO 0.05 0.41 -0.00 0.00 -0.10 0.00 0.00 175.22 175.57 1rtj s ALA 62 N -2.90 2.05 -0.33 5.36 0.00 -1.26 -1.45 121.76 123.24 1rtj s ALA 62 Ca 0.26 -1.64 -0.11 0.00 0.00 0.00 0.00 51.96 50.47 1rtj s ALA 62 Cb -0.00 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 1rtj s ALA 62 CO 0.10 -1.38 0.20 0.96 0.00 0.00 0.00 175.76 175.64 1rtj s ILE 63 N 1.34 4.91 -0.94 0.00 -4.36 -0.90 -4.94 121.20 116.32 1rtj s ILE 63 Ca 0.00 -0.37 -0.24 0.00 -0.26 0.00 0.00 60.65 59.78 1rtj s ILE 63 Cb -0.19 -3.54 0.05 0.00 1.25 0.00 0.00 42.46 40.03 1rtj s ILE 63 CO -0.10 -0.00 1.40 -0.75 0.24 0.00 0.00 174.94 175.73 1rtj s LYS 64 N 1.66 3.48 -0.43 0.37 2.36 -1.26 -1.60 119.74 124.31 1rtj s LYS 64 Ca 0.05 -0.89 -0.24 0.00 -2.55 0.00 0.00 55.97 52.34 1rtj s LYS 64 Cb -0.17 -5.03 0.02 0.00 -1.05 0.00 0.00 37.83 31.60 1rtj s LYS 64 CO 0.08 -2.19 0.84 0.15 1.55 0.00 0.00 175.35 175.78 1rtj s LYS 65 N 5.15 3.53 0.00 4.03 3.01 -1.24 -4.90 119.74 129.31 1rtj s LYS 65 Ca 0.43 0.09 0.00 0.00 -1.01 0.00 0.00 55.97 55.48 1rtj s LYS 65 Cb -0.02 -3.91 0.00 0.00 -1.01 0.00 0.00 37.83 32.89 1rtj s LYS 65 CO -0.03 -1.10 0.27 0.36 0.51 0.00 0.00 175.35 175.36 1rtj n LYS 66 N 6.82 0.37 0.05 1.68 0.00 -1.26 -2.28 118.16 123.54 1rtj n LYS 66 Ca 0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.31 1rtj n LYS 66 Cb 0.48 -1.24 -0.09 0.00 -0.00 0.00 0.00 35.03 34.18 1rtj n LYS 66 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1rtj h ASP 67 N 0.90 0.00 0.00 -5.58 5.19 -1.93 -3.36 116.42 111.63 1rtj h ASP 67 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1rtj h ASP 67 Cb 0.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.78 1rtj h ASP 67 CO 0.00 0.81 -0.04 -1.20 -3.12 0.00 0.00 179.24 175.69 1rtj n SER 68 N -3.14 0.00 -3.84 6.45 7.64 -1.15 -5.06 113.62 114.52 1rtj n SER 68 Ca -0.07 -1.08 -0.17 0.00 1.01 0.00 0.00 58.87 58.57 1rtj n SER 68 Cb 0.91 -0.02 0.01 0.00 -1.01 0.00 0.00 64.21 64.10 1rtj n SER 68 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1rtj n THR 69 N 0.00 -0.89 -4.13 0.44 5.66 -0.96 -4.94 114.28 109.46 1rtj n THR 69 Ca 0.00 -0.21 -0.11 0.00 -3.05 0.00 0.00 64.05 60.69 1rtj n THR 69 Cb 0.52 -0.76 -0.09 0.00 -1.55 0.00 0.00 70.33 68.45 1rtj n THR 69 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1rtj s LYS 70 N -5.85 1.20 -0.24 1.09 -2.85 -1.26 -5.02 119.74 106.80 1rtj s LYS 70 Ca 0.17 -1.47 -0.23 0.00 -1.00 0.00 0.00 55.97 53.43 1rtj s LYS 70 Cb -0.10 0.31 -0.01 0.00 -2.06 0.00 0.00 37.83 35.98 1rtj s LYS 70 CO 0.34 -0.41 0.77 -1.58 0.10 0.00 0.00 175.35 174.57 1rtj s TRP 71 N -4.09 3.30 0.18 1.78 0.52 -1.26 -3.66 118.94 115.71 1rtj s TRP 71 Ca 0.31 1.04 -0.13 0.00 0.02 0.00 0.00 56.10 57.34 1rtj s TRP 71 Cb 0.05 -2.99 -0.07 0.00 -1.15 0.00 0.00 33.47 29.32 1rtj s TRP 71 CO 0.08 -0.38 0.56 1.03 0.02 0.00 0.00 176.95 178.26 1rtj s ARG 72 N 2.73 3.93 -0.16 4.98 1.81 -0.63 -4.86 118.95 126.76 1rtj s ARG 72 Ca 0.32 0.44 -0.13 0.00 -1.72 0.00 0.00 55.73 54.65 1rtj s ARG 72 Cb -0.15 -2.83 -0.05 0.00 -0.45 0.00 0.00 34.95 31.47 1rtj s ARG 72 CO 0.08 0.42 0.27 0.21 -0.68 0.00 0.00 175.30 175.59 1rtj s LYS 73 N -2.24 4.23 -0.04 3.54 2.20 -1.26 -2.12 119.74 124.04 1rtj s LYS 73 Ca 0.41 0.05 0.06 0.00 -0.36 0.00 0.00 55.97 56.13 1rtj s LYS 73 Cb -0.14 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.76 1rtj s LYS 73 CO 0.20 0.26 -0.21 -1.17 -0.36 0.00 0.00 175.35 174.06 1rtj s LEU 74 N 0.41 2.01 -0.14 5.43 2.96 -0.53 -4.99 118.68 123.82 1rtj s LEU 74 Ca 0.15 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 1rtj s LEU 74 Cb -0.13 -1.17 0.03 0.00 0.50 0.00 0.00 46.19 45.41 1rtj s LEU 74 CO 0.03 0.22 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.47 1rtj s VAL 75 N -0.15 1.39 -1.20 1.68 1.01 -1.26 0.28 120.40 122.14 1rtj s VAL 75 Ca -0.01 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.19 1rtj s VAL 75 Cb -0.12 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 1rtj s VAL 75 CO 0.02 0.38 1.81 -0.62 0.00 0.00 0.00 175.10 176.70 1rtj s ASP 76 N 1.55 5.92 0.00 3.32 -1.08 -0.72 -4.83 116.67 120.83 1rtj s ASP 76 Ca 0.04 -1.91 0.00 0.00 -0.52 0.00 0.00 52.55 50.16 1rtj s ASP 76 Cb -0.13 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 1rtj s ASP 76 CO -0.10 -2.13 0.73 0.49 0.52 0.00 0.00 175.17 174.69 1rtj n PHE 77 N 11.39 0.00 -0.13 -5.34 3.72 -1.26 -3.93 117.46 121.92 1rtj n PHE 77 Ca 0.45 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.81 1rtj n PHE 77 Cb 0.47 -0.03 0.02 0.00 -0.94 0.00 0.00 39.48 39.00 1rtj n PHE 77 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1rtj h ARG 78 N 0.04 0.04 -0.07 -1.08 0.11 -1.88 0.82 114.38 112.36 1rtj h ARG 78 Ca 0.00 -0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.92 1rtj h ARG 78 Cb 0.15 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.22 1rtj h ARG 78 CO 0.00 0.03 -0.58 1.49 0.10 0.00 0.00 179.97 181.01 1rtj h GLU 79 N 0.04 0.52 -0.97 0.08 4.57 -1.99 -2.49 114.58 114.35 1rtj h GLU 79 Ca 0.20 -0.46 0.04 0.00 -1.18 0.00 0.00 59.36 57.96 1rtj h GLU 79 Cb 0.30 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 28.94 1rtj h GLU 79 CO -0.39 1.09 0.63 1.25 -1.18 0.00 0.00 179.01 180.42 1rtj h LEU 80 N 0.10 1.04 -1.78 1.64 5.85 -1.67 -2.05 115.31 118.45 1rtj h LEU 80 Ca -0.05 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1rtj h LEU 80 Cb 1.24 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 1rtj h LEU 80 CO 0.12 0.71 -0.15 0.78 -0.34 0.00 0.00 178.44 179.55 1rtj h ASN 81 N 1.20 0.00 0.85 1.25 2.35 0.89 -0.98 115.58 121.15 1rtj h ASN 81 Ca 0.39 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.06 1rtj h ASN 81 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1rtj h ASN 81 CO -0.12 0.15 -0.36 0.11 -1.65 0.00 0.00 177.43 175.56 1rtj h LYS 82 N 0.00 0.00 -0.26 0.81 1.57 -0.92 -3.10 116.57 114.67 1rtj h LYS 82 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rtj h LYS 82 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1rtj h LYS 82 CO 0.02 0.36 0.00 0.54 -0.57 0.00 0.00 179.45 179.80 1rtj n ARG 83 N -3.52 2.39 -3.50 3.15 1.74 -0.42 -4.86 116.66 111.64 1rtj n ARG 83 Ca -0.00 -2.07 -0.34 0.00 -0.77 0.00 0.00 57.85 54.67 1rtj n ARG 83 Cb 0.50 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.39 1rtj n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1rtj s THR 84 N -1.68 5.01 0.44 0.55 2.01 -0.92 -0.90 115.64 120.15 1rtj s THR 84 Ca 0.35 0.50 -0.06 0.00 0.31 0.00 0.00 61.69 62.79 1rtj s THR 84 Cb 0.22 -3.66 0.09 0.00 0.01 0.00 0.00 72.50 69.16 1rtj s THR 84 CO 0.31 0.17 0.21 0.00 -0.69 0.00 0.00 174.62 174.62 1rtj n GLN 85 N 0.56 -1.14 -4.23 4.92 10.64 -0.73 -4.16 117.38 123.24 1rtj n GLN 85 Ca -0.05 -0.35 -0.25 0.00 -1.83 0.00 0.00 57.00 54.52 1rtj n GLN 85 Cb 0.52 -0.62 -0.07 0.00 -0.86 0.00 0.00 30.24 29.21 1rtj n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1rtj s ASP 86 N -1.87 4.72 0.26 2.61 1.01 -1.26 -4.86 116.67 117.28 1rtj s ASP 86 Ca 0.16 -0.47 0.06 0.00 0.71 0.00 0.00 52.55 53.02 1rtj s ASP 86 Cb -0.03 -0.97 -0.05 0.00 1.01 0.00 0.00 42.92 42.87 1rtj s ASP 86 CO 0.14 0.06 -0.07 -0.36 0.21 0.00 0.00 175.17 175.15 1rtj s PHE 87 N -1.92 1.85 0.53 4.23 0.40 -1.26 -5.09 117.98 116.73 1rtj s PHE 87 Ca 0.29 -0.70 -0.21 0.00 -0.60 0.00 0.00 56.93 55.71 1rtj s PHE 87 Cb -0.08 -1.03 -0.06 0.00 0.51 0.00 0.00 43.02 42.36 1rtj s PHE 87 CO 0.19 0.25 1.19 -0.46 0.70 0.00 0.00 175.22 177.09 1rtj s TRP 88 N -3.06 2.61 -0.42 0.36 -0.00 -1.26 -4.82 118.94 112.36 1rtj s TRP 88 Ca 0.28 1.51 -0.42 0.00 -0.00 0.00 0.00 56.10 57.47 1rtj s TRP 88 Cb 0.03 -3.43 -0.18 0.00 -0.00 0.00 0.00 33.47 29.89 1rtj s TRP 88 CO 0.10 -1.88 1.41 -1.91 -0.00 0.00 0.00 176.95 174.67 1rtj n GLU 89 N -1.10 0.00 -2.11 5.86 0.00 -1.26 -4.77 120.64 117.26 1rtj n GLU 89 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.88 1rtj n GLU 89 Cb 0.49 -1.36 -0.03 0.00 0.00 0.00 0.00 31.44 30.55 1rtj n GLU 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1rtj n VAL 90 N 3.45 2.98 -0.12 6.31 0.31 -1.26 -4.84 118.33 125.15 1rtj n VAL 90 Ca 0.27 -2.97 -0.04 0.00 -0.01 0.00 0.00 64.34 61.59 1rtj n VAL 90 Cb -0.04 -2.33 -0.01 0.00 -0.91 0.00 0.00 33.84 30.54 1rtj n VAL 90 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1rtj n GLN 91 N 7.84 0.00 -3.34 5.55 -0.06 -1.26 -4.87 117.38 121.23 1rtj n GLN 91 Ca 0.48 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 55.11 1rtj n GLN 91 Cb 0.44 -0.13 -0.06 0.00 -4.06 0.00 0.00 30.24 26.43 1rtj n GLN 91 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 1rtj s LEU 92 N 0.71 4.28 0.00 1.69 1.98 -1.26 -4.91 118.68 121.17 1rtj s LEU 92 Ca 0.11 0.79 0.00 0.00 -2.89 0.00 0.00 54.13 52.15 1rtj s LEU 92 Cb -0.11 -2.66 0.00 0.00 0.66 0.00 0.00 46.19 44.08 1rtj s LEU 92 CO 0.05 0.03 0.00 0.61 -1.89 0.00 0.00 176.35 175.14 1rtj n GLY 93 N 3.21 -0.59 3.66 7.98 0.00 -1.26 -5.13 105.19 113.06 1rtj n GLY 93 Ca -0.08 0.69 -0.46 0.00 0.00 0.00 0.00 46.02 46.17 1rtj n GLY 93 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rtj n ILE 94 N 0.00 0.28 -1.09 -0.61 5.41 -1.26 -4.93 119.36 117.16 1rtj n ILE 94 Ca 0.00 -0.07 -0.31 0.00 1.00 0.00 0.00 62.75 63.37 1rtj n ILE 94 Cb 0.00 -1.46 0.12 0.00 -0.71 0.00 0.00 39.64 37.59 1rtj n ILE 94 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1rtj s PRO 95 N 0.49 1.70 -0.22 0.38 0.02 -1.26 -4.99 135.00 131.12 1rtj s PRO 95 Ca 0.76 1.20 -0.08 0.00 0.02 0.00 0.00 61.00 62.91 1rtj s PRO 95 Cb -0.69 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 31.96 1rtj s PRO 95 CO 0.42 -2.04 0.08 -1.58 -0.33 0.00 0.00 177.00 173.55 1rtj s HIS 96 N -2.83 3.17 0.51 6.54 2.46 -1.26 -4.98 115.29 118.89 1rtj s HIS 96 Ca 0.63 -0.13 0.41 0.00 0.47 0.00 0.00 55.06 56.44 1rtj s HIS 96 Cb -0.19 -2.19 1.60 0.00 -0.13 0.00 0.00 32.58 31.67 1rtj s HIS 96 CO 0.57 -0.11 1.62 -1.35 -2.47 0.00 0.00 174.74 173.01 1rtj h PRO 97 N 7.57 0.03 0.00 2.88 0.11 -1.96 0.68 132.00 141.31 1rtj h PRO 97 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1rtj h PRO 97 Cb 1.17 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1rtj h PRO 97 CO 0.63 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 1rtj n ALA 98 N -2.75 2.41 1.05 -0.75 0.00 -1.26 -2.22 120.51 116.99 1rtj n ALA 98 Ca 0.39 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.81 1rtj n ALA 98 Cb 1.69 -1.46 0.08 0.00 0.00 0.00 0.00 19.45 19.76 1rtj n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rtj n GLY 99 N 1.09 -0.55 3.74 0.00 0.00 0.24 -3.47 105.19 106.23 1rtj n GLY 99 Ca 0.14 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 1rtj n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rtj s LEU 100 N -2.69 4.45 0.09 0.99 1.43 -0.94 -4.81 118.68 117.19 1rtj s LEU 100 Ca 0.16 2.26 -0.24 0.00 -1.03 0.00 0.00 54.13 55.27 1rtj s LEU 100 Cb 0.18 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.72 1rtj s LEU 100 CO 0.66 -0.38 0.74 -0.54 0.23 0.00 0.00 176.35 177.06 1rtj s LYS 101 N -0.27 4.48 -0.45 1.70 1.02 -1.26 -1.27 119.74 123.68 1rtj s LYS 101 Ca 0.53 1.05 -0.28 0.00 0.02 0.00 0.00 55.97 57.29 1rtj s LYS 101 Cb -0.33 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.65 1rtj s LYS 101 CO 0.37 0.43 1.78 -1.59 -0.92 0.00 0.00 175.35 175.42 1rtj s LYS 102 N -0.56 3.07 -0.15 1.68 -2.85 -1.23 -4.91 119.74 114.80 1rtj s LYS 102 Ca 0.36 1.04 -0.07 0.00 -1.00 0.00 0.00 55.97 56.29 1rtj s LYS 102 Cb -0.21 -4.25 -0.04 0.00 -2.06 0.00 0.00 37.83 31.26 1rtj s LYS 102 CO 0.23 -2.18 0.12 0.15 0.10 0.00 0.00 175.35 173.77 1rtj s LYS 103 N 6.14 3.68 0.65 1.78 -0.14 -1.26 -4.97 119.74 125.62 1rtj s LYS 103 Ca 0.72 -0.20 0.34 0.00 -1.36 0.00 0.00 55.97 55.47 1rtj s LYS 103 Cb -0.17 -3.22 1.84 0.00 -1.68 0.00 0.00 37.83 34.59 1rtj s LYS 103 CO 0.28 0.58 2.07 -0.22 -0.76 0.00 0.00 175.35 177.30 1rtj h LYS 104 N 5.68 0.00 -3.03 1.68 3.64 -1.32 -3.40 116.57 119.82 1rtj h LYS 104 Ca -0.49 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.77 1rtj h LYS 104 Cb 1.20 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.81 1rtj h LYS 104 CO 0.64 0.00 -0.30 -1.12 -2.27 0.00 0.00 179.45 176.41 1rtj s SER 105 N -4.89 -0.21 -0.13 4.20 0.01 -0.33 -4.96 113.70 107.39 1rtj s SER 105 Ca -0.04 0.19 -0.11 0.00 1.31 0.00 0.00 55.95 57.30 1rtj s SER 105 Cb 0.11 0.38 0.04 0.00 0.21 0.00 0.00 66.02 66.76 1rtj s SER 105 CO 0.37 -0.38 0.34 -0.69 0.41 0.00 0.00 173.24 173.30 1rtj s VAL 106 N -1.02 -0.01 0.06 3.43 1.01 -1.26 -0.95 120.40 121.65 1rtj s VAL 106 Ca -0.11 0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1rtj s VAL 106 Cb -0.05 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 1rtj s VAL 106 CO 0.03 0.01 -0.10 -0.89 0.00 0.00 0.00 175.10 174.16 1rtj s THR 107 N 0.54 0.74 -0.11 3.92 2.01 0.22 -4.97 115.64 117.99 1rtj s THR 107 Ca -0.03 -1.24 -0.04 0.00 0.31 0.00 0.00 61.69 60.70 1rtj s THR 107 Cb -0.04 -0.86 0.05 0.00 0.01 0.00 0.00 72.50 71.66 1rtj s THR 107 CO -0.03 -0.38 0.09 -0.69 -0.69 0.00 0.00 174.62 172.92 1rtj s VAL 108 N -1.56 -0.13 -0.18 3.82 1.01 -1.26 0.31 120.40 122.41 1rtj s VAL 108 Ca -0.05 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 1rtj s VAL 108 Cb -0.09 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.88 1rtj s VAL 108 CO 0.01 -0.04 0.10 -0.76 0.00 0.00 0.00 175.10 174.41 1rtj s LEU 109 N 2.18 4.08 -0.80 3.92 1.02 0.53 -4.72 118.68 124.89 1rtj s LEU 109 Ca 0.04 0.21 -0.23 0.00 0.02 0.00 0.00 54.13 54.17 1rtj s LEU 109 Cb -0.14 -2.04 0.07 0.00 0.02 0.00 0.00 46.19 44.10 1rtj s LEU 109 CO -0.06 0.21 1.16 -0.62 0.02 0.00 0.00 176.35 177.06 1rtj s ASP 110 N 0.16 6.33 -0.15 2.29 2.15 -1.26 -1.13 116.67 125.06 1rtj s ASP 110 Ca 0.07 -1.19 0.04 0.00 0.43 0.00 0.00 52.55 51.90 1rtj s ASP 110 Cb -0.12 -2.47 0.32 0.00 -0.30 0.00 0.00 42.92 40.35 1rtj s ASP 110 CO -0.01 -1.46 1.22 1.33 -0.17 0.00 0.00 175.17 176.08 1rtj n VAL 111 N 6.11 1.57 0.00 1.11 0.24 -0.60 -4.66 118.33 122.10 1rtj n VAL 111 Ca 0.11 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 1rtj n VAL 111 Cb 0.48 -0.60 0.00 0.00 -1.47 0.00 0.00 33.84 32.25 1rtj n VAL 111 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rtj n GLY 112 N 0.03 -3.25 0.00 7.63 0.00 -1.17 -1.68 105.19 106.75 1rtj n GLY 112 Ca 0.19 0.62 0.01 0.00 0.00 0.00 0.00 46.02 46.84 1rtj n GLY 112 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rtj n ASP 113 N -0.84 0.00 -0.03 1.61 -0.08 -1.26 -3.18 116.55 112.78 1rtj n ASP 113 Ca 0.00 -0.28 0.02 0.00 -1.51 0.00 0.00 54.79 53.02 1rtj n ASP 113 Cb 0.00 0.00 0.35 0.00 2.34 0.00 0.00 41.12 43.81 1rtj n ASP 113 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1rtj h ALA 114 N 1.73 1.54 -0.09 -1.67 0.00 -1.61 -2.01 119.26 117.15 1rtj h ALA 114 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1rtj h ALA 114 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1rtj h ALA 114 CO 0.00 0.37 0.07 0.10 0.00 0.00 0.00 179.25 179.79 1rtj h TYR 115 N 0.59 0.00 -0.02 0.00 -0.00 -1.72 -0.32 116.97 115.49 1rtj h TYR 115 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.88 1rtj h TYR 115 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.82 1rtj h TYR 115 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 178.16 178.50 1rtj n PHE 116 N -4.25 0.03 0.33 0.10 -0.00 -0.75 -2.58 117.46 110.33 1rtj n PHE 116 Ca -0.01 -0.02 0.04 0.00 -0.00 0.00 0.00 57.45 57.46 1rtj n PHE 116 Cb 0.18 0.00 0.01 0.00 -0.00 0.00 0.00 39.48 39.67 1rtj n PHE 116 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1rtj n SER 117 N -0.59 1.26 -4.66 -2.13 7.64 -0.13 -4.77 113.62 110.24 1rtj n SER 117 Ca 0.11 -1.13 -0.40 0.00 1.01 0.00 0.00 58.87 58.46 1rtj n SER 117 Cb 0.08 0.30 -0.06 0.00 -1.01 0.00 0.00 64.21 63.52 1rtj n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1rtj s VAL 118 N -0.97 5.03 0.68 0.44 1.01 -1.07 -3.86 120.40 121.66 1rtj s VAL 118 Ca 0.07 1.19 -0.14 0.00 0.00 0.00 0.00 61.98 63.11 1rtj s VAL 118 Cb 0.06 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.50 1rtj s VAL 118 CO 0.16 0.12 1.09 -2.16 0.00 0.00 0.00 175.10 174.31 1rtj s PRO 119 N 1.83 2.79 0.13 2.72 0.04 -1.26 -1.39 135.00 139.85 1rtj s PRO 119 Ca 0.29 1.26 -0.06 0.00 0.04 0.00 0.00 61.00 62.53 1rtj s PRO 119 Cb -0.16 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 1rtj s PRO 119 CO 0.11 -1.24 0.38 -1.17 0.04 0.00 0.00 177.00 175.11 1rtj s LEU 120 N -5.10 4.28 -0.27 -3.56 2.96 0.48 -4.55 118.68 112.92 1rtj s LEU 120 Ca 0.64 0.63 -0.30 0.00 -0.22 0.00 0.00 54.13 54.88 1rtj s LEU 120 Cb -0.18 -3.23 -0.07 0.00 0.50 0.00 0.00 46.19 43.21 1rtj s LEU 120 CO 0.45 0.08 2.23 -0.67 -1.32 0.00 0.00 176.35 177.12 1rtj n ASP 121 N 0.28 2.91 -0.33 3.68 2.03 -1.26 -4.76 116.55 119.10 1rtj n ASP 121 Ca -0.04 0.23 0.35 0.00 0.52 0.00 0.00 54.79 55.85 1rtj n ASP 121 Cb 0.52 -1.48 0.56 0.00 -0.72 0.00 0.00 41.12 40.01 1rtj n ASP 121 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1rtj h GLU 122 N 14.50 0.00 0.12 -0.67 9.09 -1.94 0.18 114.58 135.87 1rtj h GLU 122 Ca -0.37 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 58.77 1rtj h GLU 122 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 1rtj h GLU 122 CO 0.98 0.00 -1.29 -0.44 0.05 0.00 0.00 179.01 178.31 1rtj h ASP 123 N 0.00 0.40 1.16 3.06 3.32 -1.95 -3.30 116.42 119.12 1rtj h ASP 123 Ca 0.59 -0.45 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 1rtj h ASP 123 Cb 3.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 42.44 1rtj h ASP 123 CO -0.01 1.36 -0.47 0.15 -1.72 0.00 0.00 179.24 178.55 1rtj h PHE 124 N 0.07 0.00 0.00 4.55 3.04 -0.91 -3.35 116.94 120.34 1rtj h PHE 124 Ca -0.15 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.80 1rtj h PHE 124 Cb 1.98 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.49 1rtj h PHE 124 CO 0.06 0.47 0.42 0.54 -2.02 0.00 0.00 178.31 177.78 1rtj n ARG 125 N -3.37 0.06 0.14 1.11 1.74 -0.96 -0.70 116.66 114.68 1rtj n ARG 125 Ca 0.01 0.50 0.02 0.00 -0.77 0.00 0.00 57.85 57.61 1rtj n ARG 125 Cb 0.64 -2.11 0.07 0.00 -1.02 0.00 0.00 32.46 30.04 1rtj n ARG 125 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1rtj h LYS 126 N 0.00 0.00 0.00 5.56 2.10 -1.82 -3.33 116.57 119.07 1rtj h LYS 126 Ca 0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.48 1rtj h LYS 126 Cb 0.84 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.15 1rtj h LYS 126 CO 0.00 0.54 -0.82 1.88 -2.00 0.00 0.00 179.45 179.05 1rtj h TYR 127 N 0.00 0.00 0.00 0.07 0.05 -1.22 -3.14 116.97 112.72 1rtj h TYR 127 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1rtj h TYR 127 Cb 1.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.08 1rtj h TYR 127 CO 0.00 0.82 0.00 0.25 -1.05 0.00 0.00 178.16 178.18 1rtj n THR 128 N -3.50 0.00 -1.72 -2.88 -2.24 -1.25 -4.59 114.28 98.10 1rtj n THR 128 Ca -0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1rtj n THR 128 Cb 0.81 -0.20 0.06 0.00 -2.10 0.00 0.00 70.33 68.90 1rtj n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rtj n ALA 129 N -0.30 1.21 -3.19 6.98 0.00 -1.19 -4.26 120.51 119.77 1rtj n ALA 129 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 1rtj n ALA 129 Cb 0.08 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.17 1rtj n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1rtj s PHE 130 N -1.36 0.38 0.04 0.00 -0.12 -1.18 -2.75 117.98 112.99 1rtj s PHE 130 Ca 0.78 -0.75 0.03 0.00 -0.05 0.00 0.00 56.93 56.94 1rtj s PHE 130 Cb -0.40 0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.17 1rtj s PHE 130 CO 0.44 -1.01 -0.09 0.99 -0.05 0.00 0.00 175.22 175.50 1rtj s THR 131 N -3.94 0.65 -0.32 -4.49 2.01 -1.26 -1.59 115.64 106.70 1rtj s THR 131 Ca 0.23 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 1rtj s THR 131 Cb -0.01 -0.68 0.03 0.00 0.01 0.00 0.00 72.50 71.86 1rtj s THR 131 CO 0.10 -0.28 0.07 -0.63 -0.69 0.00 0.00 174.62 173.19 1rtj s ILE 132 N -1.19 3.64 0.30 1.82 -1.09 -0.26 -4.60 121.20 119.82 1rtj s ILE 132 Ca -0.07 -1.08 -0.29 0.00 -2.23 0.00 0.00 60.65 56.98 1rtj s ILE 132 Cb -0.09 -3.02 -0.13 0.00 -1.58 0.00 0.00 42.46 37.65 1rtj s ILE 132 CO 0.01 -0.09 1.38 -2.65 -1.23 0.00 0.00 174.94 172.35 1rtj n PRO 133 N 4.79 2.17 -3.06 2.79 -0.02 -1.26 -1.20 135.00 139.21 1rtj n PRO 133 Ca -0.13 0.77 -0.24 0.00 -2.02 0.00 0.00 63.50 61.88 1rtj n PRO 133 Cb 0.45 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1rtj n PRO 133 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1rtj s SER 134 N 0.02 6.04 -0.02 2.55 1.04 -1.26 -4.88 113.70 117.19 1rtj s SER 134 Ca 0.61 0.44 -0.14 0.00 0.48 0.00 0.00 55.95 57.34 1rtj s SER 134 Cb -0.59 -1.80 -0.08 0.00 0.10 0.00 0.00 66.02 63.65 1rtj s SER 134 CO 0.56 -0.56 0.69 0.40 0.98 0.00 0.00 173.24 175.31 1rtj h ILE 135 N 0.48 0.00 -1.18 -1.02 5.03 -1.93 -3.37 117.51 115.53 1rtj h ILE 135 Ca -0.47 -0.39 -0.38 0.00 -0.12 0.00 0.00 64.86 63.49 1rtj h ILE 135 Cb 1.23 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 34.98 1rtj h ILE 135 CO 0.59 0.00 0.98 0.21 -0.68 0.00 0.00 178.15 179.25 1rtj s ASN 136 N -4.24 5.29 0.65 1.72 3.04 -1.26 -4.93 114.94 115.22 1rtj s ASN 136 Ca -0.07 -0.40 -0.17 0.00 0.04 0.00 0.00 52.86 52.25 1rtj s ASN 136 Cb 0.01 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 37.13 1rtj s ASN 136 CO 0.22 -2.53 0.85 0.59 -3.04 0.00 0.00 177.10 173.19 1rtj n ASN 137 N 13.16 0.19 -0.84 -4.21 4.13 -1.26 -3.00 115.26 123.43 1rtj n ASN 137 Ca 0.32 0.73 -0.08 0.00 1.68 0.00 0.00 54.58 57.23 1rtj n ASN 137 Cb 0.49 -1.34 -0.01 0.00 -1.54 0.00 0.00 39.78 37.38 1rtj n ASN 137 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1rtj n GLU 138 N -1.12 -0.60 -4.82 3.52 4.07 -1.26 -5.02 120.64 115.42 1rtj n GLU 138 Ca 0.13 0.40 -0.28 0.00 -0.06 0.00 0.00 57.16 57.36 1rtj n GLU 138 Cb 0.48 -4.32 -0.17 0.00 -0.06 0.00 0.00 31.44 27.38 1rtj n GLU 138 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1rtj s THR 139 N -2.37 1.49 -0.47 6.31 2.01 -1.16 -5.07 115.64 116.38 1rtj s THR 139 Ca 0.00 -0.69 -0.44 0.00 0.31 0.00 0.00 61.69 60.87 1rtj s THR 139 Cb 0.00 -1.33 -0.19 0.00 0.01 0.00 0.00 72.50 71.00 1rtj s THR 139 CO 0.00 0.43 1.89 -0.81 -0.69 0.00 0.00 174.62 175.44 1rtj n PRO 140 N 3.72 0.16 -2.18 4.92 -0.04 -1.26 -4.50 135.00 135.82 1rtj n PRO 140 Ca -0.21 0.05 -0.33 0.00 -0.04 0.00 0.00 63.50 62.97 1rtj n PRO 140 Cb 0.52 -1.61 -0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1rtj n PRO 140 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1rtj s GLY 141 N 4.65 2.26 -0.32 0.55 0.00 -1.26 -4.75 107.32 108.46 1rtj s GLY 141 Ca 1.11 0.48 -0.29 0.00 0.00 0.00 0.00 44.72 46.03 1rtj s GLY 141 CO 0.71 0.80 1.33 -0.42 0.00 0.00 0.00 173.10 175.53 1rtj s ILE 142 N -2.28 4.08 0.14 0.90 1.09 -0.34 -4.76 121.20 120.02 1rtj s ILE 142 Ca 0.65 1.20 -0.10 0.00 -1.10 0.00 0.00 60.65 61.30 1rtj s ILE 142 Cb -0.17 -4.15 -0.06 0.00 -1.06 0.00 0.00 42.46 37.02 1rtj s ILE 142 CO 0.32 -0.52 0.46 -0.13 -0.10 0.00 0.00 174.94 174.97 1rtj s ARG 143 N 4.33 3.79 0.00 2.79 0.52 -1.26 -1.10 118.95 128.02 1rtj s ARG 143 Ca 0.58 0.22 0.00 0.00 -0.52 0.00 0.00 55.73 56.01 1rtj s ARG 143 Cb -0.16 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.42 1rtj s ARG 143 CO 0.25 0.47 0.00 0.66 0.02 0.00 0.00 175.30 176.71 1rtj n TYR 144 N 0.52 -0.02 -3.62 -0.53 4.01 -0.62 -1.46 117.16 115.44 1rtj n TYR 144 Ca -0.05 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.64 1rtj n TYR 144 Cb 0.52 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.50 1rtj n TYR 144 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 1rtj s GLN 145 N -0.40 0.26 0.02 -0.72 -2.07 -1.07 -3.09 119.66 112.59 1rtj s GLN 145 Ca 0.00 0.11 -0.24 0.00 -1.82 0.00 0.00 55.36 53.41 1rtj s GLN 145 Cb 0.00 0.12 -0.05 0.00 -1.09 0.00 0.00 33.01 31.99 1rtj s GLN 145 CO 0.00 -0.07 0.72 0.71 -1.32 0.00 0.00 175.29 175.33 1rtj s TYR 146 N -0.79 3.71 -2.67 9.60 1.51 -1.26 -1.87 117.35 125.58 1rtj s TYR 146 Ca 0.05 1.39 0.24 0.00 -1.01 0.00 0.00 57.07 57.73 1rtj s TYR 146 Cb -0.02 -2.77 0.41 0.00 -0.11 0.00 0.00 41.96 39.48 1rtj s TYR 146 CO -0.06 0.27 1.39 0.09 -1.11 0.00 0.00 175.55 176.13 1rtj n ASN 147 N 2.89 2.98 -4.12 2.29 3.02 0.08 -4.66 115.26 117.73 1rtj n ASN 147 Ca -0.03 -1.93 -0.08 0.00 -0.03 0.00 0.00 54.58 52.50 1rtj n ASN 147 Cb 0.50 -0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 39.45 1rtj n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1rtj s VAL 148 N -1.76 0.40 -0.46 2.41 -7.23 -1.24 -0.39 120.40 112.13 1rtj s VAL 148 Ca 0.34 -1.86 -0.31 0.00 -1.81 0.00 0.00 61.98 58.34 1rtj s VAL 148 Cb 0.21 -1.59 -0.11 0.00 0.56 0.00 0.00 36.38 35.45 1rtj s VAL 148 CO 0.31 -0.94 2.33 0.18 -0.31 0.00 0.00 175.10 176.67 1rtj n LEU 149 N 0.05 2.09 -4.77 1.32 4.77 -0.49 -4.63 117.00 115.33 1rtj n LEU 149 Ca -0.13 0.10 -0.34 0.00 -0.03 0.00 0.00 56.01 55.60 1rtj n LEU 149 Cb 0.61 -1.35 0.02 0.00 -2.33 0.00 0.00 43.42 40.37 1rtj n LEU 149 CO 0.29 -0.96 0.76 -2.84 -1.33 0.00 0.00 177.39 173.31 1rtj s PRO 150 N 7.19 3.19 0.12 3.23 0.02 -1.26 -4.51 135.00 142.97 1rtj s PRO 150 Ca 1.09 1.51 -0.30 0.00 0.02 0.00 0.00 61.00 63.32 1rtj s PRO 150 Cb -0.65 -1.99 -0.07 0.00 0.02 0.00 0.00 34.50 31.81 1rtj s PRO 150 CO 0.41 -0.96 1.22 -1.14 -0.33 0.00 0.00 177.00 176.19 1rtj s GLN 151 N -3.58 4.45 -0.37 5.54 0.74 -1.26 -2.94 119.66 122.23 1rtj s GLN 151 Ca 0.70 1.84 -0.00 0.00 0.05 0.00 0.00 55.36 57.95 1rtj s GLN 151 Cb -0.22 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.60 1rtj s GLN 151 CO 0.32 -0.20 0.02 0.41 -0.55 0.00 0.00 175.29 175.29 1rtj n GLY 152 N 2.84 0.23 3.59 2.59 0.00 -1.26 -4.90 105.19 108.28 1rtj n GLY 152 Ca 0.07 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 1rtj n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1rtj s TRP 153 N -2.30 2.88 0.27 1.61 -0.00 -1.15 -4.36 118.94 115.90 1rtj s TRP 153 Ca 0.01 -0.05 -0.00 0.00 -0.00 0.00 0.00 56.10 56.06 1rtj s TRP 153 Cb -0.00 -1.60 0.62 0.00 -0.00 0.00 0.00 33.47 32.49 1rtj s TRP 153 CO 0.01 0.37 1.67 -0.22 -0.00 0.00 0.00 176.95 178.78 1rtj h LYS 154 N 4.49 0.25 0.09 5.86 3.64 -1.90 -3.12 116.57 125.87 1rtj h LYS 154 Ca -0.48 -0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 58.63 1rtj h LYS 154 Cb 1.17 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1rtj h LYS 154 CO 0.54 0.16 -1.15 0.78 -2.27 0.00 0.00 179.45 177.51 1rtj h GLY 155 N 0.26 0.26 -0.71 5.01 0.00 -1.95 -3.39 103.07 102.55 1rtj h GLY 155 Ca 0.50 -0.63 0.08 0.00 0.00 0.00 0.00 47.33 47.29 1rtj h GLY 155 CO -0.59 0.55 -0.36 1.44 0.00 0.00 0.00 176.54 177.57 1rtj n SER 156 N -3.52 -0.64 -0.03 0.19 7.64 -1.18 0.30 113.62 116.37 1rtj n SER 156 Ca -0.06 1.25 -0.09 0.00 1.01 0.00 0.00 58.87 60.98 1rtj n SER 156 Cb 0.98 -0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 63.94 1rtj n SER 156 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1rtj h PRO 157 N 0.00 0.05 -0.34 1.43 0.13 -1.77 -0.36 132.00 131.14 1rtj h PRO 157 Ca 0.16 -0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.33 1rtj h PRO 157 Cb 0.34 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.42 1rtj h PRO 157 CO -0.68 0.04 0.10 0.00 -0.23 0.00 0.00 178.00 177.23 1rtj h ALA 158 N 1.16 0.39 0.59 -0.56 0.00 -0.40 -2.52 119.26 117.92 1rtj h ALA 158 Ca 0.09 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1rtj h ALA 158 Cb 0.11 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1rtj h ALA 158 CO -0.15 -0.29 -0.28 0.82 0.00 0.00 0.00 179.25 179.34 1rtj h ILE 159 N 0.24 0.16 -0.91 0.00 2.04 -0.71 -3.09 117.51 115.24 1rtj h ILE 159 Ca 0.16 -0.39 0.25 0.00 1.00 0.00 0.00 64.86 65.88 1rtj h ILE 159 Cb 0.15 0.23 -0.14 0.00 -0.74 0.00 0.00 36.82 36.32 1rtj h ILE 159 CO -0.17 0.03 0.34 0.15 0.00 0.00 0.00 178.15 178.49 1rtj h PHE 160 N -1.13 0.53 -0.22 1.37 3.57 -1.02 0.22 116.94 120.27 1rtj h PHE 160 Ca -0.08 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.38 1rtj h PHE 160 Cb 0.65 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1rtj h PHE 160 CO 0.01 -0.18 -0.24 0.37 -2.23 0.00 0.00 178.31 176.03 1rtj h GLN 161 N 0.26 0.40 -0.20 1.11 5.75 -1.46 -0.34 115.11 120.64 1rtj h GLN 161 Ca 0.60 -0.14 -0.17 0.00 -0.15 0.00 0.00 58.65 58.79 1rtj h GLN 161 Cb 1.25 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.77 1rtj h GLN 161 CO -0.63 0.62 -0.55 0.66 -2.65 0.00 0.00 178.83 176.28 1rtj h SER 162 N 0.36 0.83 0.45 -0.69 4.64 -0.52 -1.09 113.55 117.52 1rtj h SER 162 Ca 0.06 -0.58 -0.01 0.00 -0.47 0.00 0.00 61.79 60.79 1rtj h SER 162 Cb 0.62 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 1rtj h SER 162 CO 0.04 1.26 -0.38 0.28 -0.87 0.00 0.00 176.83 177.17 1rtj h SER 163 N 0.44 -1.01 -0.92 4.97 0.02 -1.13 -1.28 113.55 114.64 1rtj h SER 163 Ca -0.01 0.08 0.19 0.00 -0.84 0.00 0.00 61.79 61.21 1rtj h SER 163 Cb 1.17 0.33 -0.11 0.00 0.14 0.00 0.00 62.40 63.93 1rtj h SER 163 CO 0.12 -0.54 0.49 -0.03 -1.14 0.00 0.00 176.83 175.73 1rtj h MET 164 N -0.83 0.58 -0.69 3.45 -1.53 -0.96 0.08 114.93 115.04 1rtj h MET 164 Ca -0.04 -0.03 -0.02 0.00 -3.44 0.00 0.00 59.70 56.16 1rtj h MET 164 Cb 0.72 -0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 31.60 1rtj h MET 164 CO -0.02 0.38 0.35 1.15 0.14 0.00 0.00 176.91 178.91 1rtj h THR 165 N 0.60 1.22 -0.14 -0.77 2.02 -0.61 0.14 112.91 115.37 1rtj h THR 165 Ca 0.54 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1rtj h THR 165 Cb 0.90 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1rtj h THR 165 CO -0.43 0.25 -0.07 0.07 0.37 0.00 0.00 175.52 175.72 1rtj h LYS 166 N 0.95 0.30 -0.54 6.66 2.10 0.09 -1.25 116.57 124.88 1rtj h LYS 166 Ca 0.24 -0.13 0.08 0.00 -2.00 0.00 0.00 60.65 58.83 1rtj h LYS 166 Cb 0.08 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.37 1rtj h LYS 166 CO -0.03 0.63 0.36 0.82 -2.00 0.00 0.00 179.45 179.23 1rtj h ILE 167 N -0.03 0.94 0.00 0.07 2.04 -0.88 -1.49 117.51 118.16 1rtj h ILE 167 Ca 0.03 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1rtj h ILE 167 Cb 0.54 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1rtj h ILE 167 CO 0.02 0.08 -0.42 -0.07 0.00 0.00 0.00 178.15 177.76 1rtj h LEU 168 N 0.42 0.00 -0.73 1.44 4.07 -0.75 -3.38 115.31 116.38 1rtj h LEU 168 Ca 0.24 -0.03 0.13 0.00 0.08 0.00 0.00 57.88 58.30 1rtj h LEU 168 Cb 0.41 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.01 1rtj h LEU 168 CO -0.06 0.02 -0.30 -0.08 -1.08 0.00 0.00 178.44 176.93 1rtj h GLU 169 N 0.00 -0.08 0.32 1.13 4.81 -0.11 -1.14 114.58 119.51 1rtj h GLU 169 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1rtj h GLU 169 Cb 0.93 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1rtj h GLU 169 CO 0.00 -0.05 -0.30 -1.35 -0.73 0.00 0.00 179.01 176.58 1rtj h PRO 170 N -0.08 -0.59 -0.36 0.92 0.11 -1.74 -2.94 132.00 127.32 1rtj h PRO 170 Ca 0.30 0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.53 1rtj h PRO 170 Cb 0.57 0.13 -0.08 0.00 0.11 0.00 0.00 31.00 31.73 1rtj h PRO 170 CO -0.78 -0.39 -0.18 0.35 -0.21 0.00 0.00 178.00 176.79 1rtj h PHE 171 N -0.61 -0.44 -0.78 0.65 3.04 -1.79 0.86 116.94 117.86 1rtj h PHE 171 Ca -0.04 0.04 0.23 0.00 3.98 0.00 0.00 57.97 62.18 1rtj h PHE 171 Cb 0.52 0.25 -0.03 0.00 2.56 0.00 0.00 35.95 39.25 1rtj h PHE 171 CO -0.16 -0.26 0.57 0.00 -2.02 0.00 0.00 178.31 176.44 1rtj h ARG 172 N -0.12 0.00 0.00 1.11 3.08 -1.18 0.25 114.38 117.52 1rtj h ARG 172 Ca 0.18 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.08 1rtj h ARG 172 Cb 0.39 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1rtj h ARG 172 CO -0.43 0.00 -2.03 0.36 -1.07 0.00 0.00 179.97 176.79 1rtj n LYS 173 N -4.28 0.66 0.00 0.04 2.85 -0.89 -4.03 118.16 112.51 1rtj n LYS 173 Ca 0.16 -0.07 0.10 0.00 -1.05 0.00 0.00 58.31 57.45 1rtj n LYS 173 Cb 0.86 -1.56 0.46 0.00 -0.65 0.00 0.00 35.03 34.13 1rtj n LYS 173 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1rtj n GLN 174 N -2.52 0.02 -3.09 -1.58 6.02 0.53 -3.96 117.38 112.79 1rtj n GLN 174 Ca -0.15 0.13 -0.19 0.00 -0.01 0.00 0.00 57.00 56.78 1rtj n GLN 174 Cb 0.81 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.53 1rtj n GLN 174 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1rtj n ASN 175 N -1.49 -0.31 0.00 1.08 3.02 0.56 -4.99 115.26 113.13 1rtj n ASN 175 Ca 0.05 -2.92 0.00 0.00 -0.03 0.00 0.00 54.58 51.69 1rtj n ASN 175 Cb 0.25 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1rtj n ASN 175 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1rtj n PRO 176 N 1.13 0.00 -0.06 3.52 -0.02 -1.25 -0.12 135.00 138.20 1rtj n PRO 176 Ca 0.19 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.61 1rtj n PRO 176 Cb 0.58 -1.12 -0.09 0.00 -0.02 0.00 0.00 33.50 32.86 1rtj n PRO 176 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1rtj n ASP 177 N -0.51 2.21 -4.62 2.55 8.00 -1.26 -4.93 116.55 117.99 1rtj n ASP 177 Ca 0.00 -0.01 -0.43 0.00 0.71 0.00 0.00 54.79 55.06 1rtj n ASP 177 Cb 0.00 0.69 -0.02 0.00 -0.02 0.00 0.00 41.12 41.77 1rtj n ASP 177 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rtj s ILE 178 N -2.28 3.84 -0.43 0.53 -1.09 0.83 -4.72 121.20 117.88 1rtj s ILE 178 Ca -0.07 0.92 -0.15 0.00 -2.23 0.00 0.00 60.65 59.12 1rtj s ILE 178 Cb 0.04 -3.96 0.04 0.00 -1.58 0.00 0.00 42.46 37.00 1rtj s ILE 178 CO 0.46 -0.49 0.34 -0.69 -1.23 0.00 0.00 174.94 173.33 1rtj s VAL 179 N 5.26 5.25 -0.07 2.92 1.01 -1.18 -4.93 120.40 128.66 1rtj s VAL 179 Ca 0.66 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1rtj s VAL 179 Cb -0.19 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1rtj s VAL 179 CO 0.29 -0.42 -0.08 -0.63 0.00 0.00 0.00 175.10 174.27 1rtj s ILE 180 N 1.66 3.63 -0.05 2.22 1.01 -1.26 -2.06 121.20 126.36 1rtj s ILE 180 Ca 0.05 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.23 1rtj s ILE 180 Cb -0.21 -2.48 -0.00 0.00 0.01 0.00 0.00 42.46 39.78 1rtj s ILE 180 CO 0.09 0.60 -0.17 -0.31 0.00 0.00 0.00 174.94 175.14 1rtj s TYR 181 N -0.79 1.74 -0.07 3.97 2.02 -0.18 -4.94 117.35 119.10 1rtj s TYR 181 Ca 0.12 -0.54 0.05 0.00 -0.37 0.00 0.00 57.07 56.33 1rtj s TYR 181 Cb -0.11 -1.18 -0.01 0.00 -0.40 0.00 0.00 41.96 40.25 1rtj s TYR 181 CO 0.01 -0.20 -0.22 1.14 -1.57 0.00 0.00 175.55 174.71 1rtj s GLN 182 N 0.14 2.67 -0.29 -0.62 -2.07 -1.26 -0.68 119.66 117.56 1rtj s GLN 182 Ca -0.06 -0.85 -0.15 0.00 -1.82 0.00 0.00 55.36 52.47 1rtj s GLN 182 Cb -0.13 -2.25 0.11 0.00 -1.09 0.00 0.00 33.01 29.65 1rtj s GLN 182 CO 0.03 0.38 0.78 -0.47 -1.32 0.00 0.00 175.29 174.69 1rtj s TYR 183 N -0.14 -0.94 0.00 9.60 6.14 -0.79 -5.04 117.35 126.18 1rtj s TYR 183 Ca -0.04 1.82 0.00 0.00 0.64 0.00 0.00 57.07 59.49 1rtj s TYR 183 Cb -0.14 0.56 0.00 0.00 0.42 0.00 0.00 41.96 42.80 1rtj s TYR 183 CO 0.04 -0.46 0.00 -1.33 0.64 0.00 0.00 175.55 174.43 1rtj n MET 184 N 4.31 0.00 -0.48 4.97 2.81 -1.26 0.51 117.12 127.98 1rtj n MET 184 Ca -0.18 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.70 1rtj n MET 184 Cb 0.57 0.00 0.16 0.00 -0.71 0.00 0.00 33.22 33.24 1rtj n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1rtj n ASP 185 N 1.65 3.31 -4.01 7.83 8.00 -1.26 -4.88 116.55 127.18 1rtj n ASP 185 Ca 0.00 -2.55 -0.25 0.00 0.71 0.00 0.00 54.79 52.71 1rtj n ASP 185 Cb 0.00 -0.61 -0.17 0.00 -0.02 0.00 0.00 41.12 40.32 1rtj n ASP 185 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1rtj s ASP 186 N -0.29 1.81 -0.30 -2.24 1.11 0.18 -1.56 116.67 115.39 1rtj s ASP 186 Ca 0.26 -0.30 -0.08 0.00 0.18 0.00 0.00 52.55 52.61 1rtj s ASP 186 Cb 0.21 -0.83 -0.01 0.00 1.07 0.00 0.00 42.92 43.37 1rtj s ASP 186 CO 0.07 0.02 0.12 -0.22 1.18 0.00 0.00 175.17 176.33 1rtj s LEU 187 N 0.76 3.91 -0.35 1.23 2.96 -0.29 -1.89 118.68 125.01 1rtj s LEU 187 Ca -0.13 -0.53 -0.11 0.00 -0.22 0.00 0.00 54.13 53.14 1rtj s LEU 187 Cb -0.16 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.60 1rtj s LEU 187 CO 0.03 -0.17 0.19 -0.47 -1.32 0.00 0.00 176.35 174.61 1rtj s TYR 188 N 1.58 3.22 -0.22 5.38 6.14 0.14 -0.35 117.35 133.23 1rtj s TYR 188 Ca 0.04 -0.76 -0.03 0.00 0.64 0.00 0.00 57.07 56.96 1rtj s TYR 188 Cb -0.17 -2.42 0.01 0.00 0.42 0.00 0.00 41.96 39.80 1rtj s TYR 188 CO 0.05 -0.56 -0.07 0.08 0.64 0.00 0.00 175.55 175.69 1rtj s VAL 189 N 1.59 3.08 0.01 3.14 1.01 0.15 -1.01 120.40 128.36 1rtj s VAL 189 Ca 0.03 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 1rtj s VAL 189 Cb -0.18 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1rtj s VAL 189 CO 0.07 0.37 -0.01 -0.83 0.00 0.00 0.00 175.10 174.69 1rtj s GLY 190 N 1.41 0.13 0.23 4.51 0.00 -0.87 0.69 107.32 113.43 1rtj s GLY 190 Ca 0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 44.72 44.39 1rtj s GLY 190 CO -0.05 -0.37 0.39 -1.14 0.00 0.00 0.00 173.10 171.93 1rtj n SER 191 N 2.23 -1.10 -0.84 1.64 3.41 -0.12 -3.10 113.62 115.74 1rtj n SER 191 Ca -0.19 -2.13 0.07 0.00 -0.26 0.00 0.00 58.87 56.36 1rtj n SER 191 Cb 0.57 1.94 0.22 0.00 -0.26 0.00 0.00 64.21 66.68 1rtj n SER 191 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1rtj n ASP 192 N -1.62 3.55 -4.75 4.04 9.92 -1.26 -0.86 116.55 125.57 1rtj n ASP 192 Ca -0.02 -2.54 -0.30 0.00 -0.53 0.00 0.00 54.79 51.39 1rtj n ASP 192 Cb 0.37 -0.41 0.11 0.00 -0.64 0.00 0.00 41.12 40.55 1rtj n ASP 192 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1rtj s LEU 193 N -1.98 2.66 0.59 0.64 1.43 -1.26 -4.83 118.68 115.94 1rtj s LEU 193 Ca 0.35 1.61 -0.16 0.00 -1.03 0.00 0.00 54.13 54.89 1rtj s LEU 193 Cb 0.25 -4.19 -0.04 0.00 0.03 0.00 0.00 46.19 42.23 1rtj s LEU 193 CO 0.13 -2.24 1.06 -1.61 0.23 0.00 0.00 176.35 173.93 1rtj s GLU 194 N -4.96 3.32 0.25 1.70 0.41 -1.26 -4.57 118.70 113.60 1rtj s GLU 194 Ca 0.62 1.26 -0.13 0.00 -0.41 0.00 0.00 54.97 56.30 1rtj s GLU 194 Cb -0.17 -2.03 0.34 0.00 -1.78 0.00 0.00 34.13 30.49 1rtj s GLU 194 CO 0.56 -0.82 1.56 0.82 -0.49 0.00 0.00 175.26 176.89 1rtj h ILE 195 N 0.54 0.00 -0.20 -1.63 1.08 -1.94 -0.56 117.51 114.81 1rtj h ILE 195 Ca -0.47 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.98 1rtj h ILE 195 Cb 1.22 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 1rtj h ILE 195 CO 0.57 0.00 0.05 1.23 -0.69 0.00 0.00 178.15 179.32 1rtj h GLY 196 N -0.00 0.33 0.95 5.37 0.00 -1.99 -0.56 103.07 107.17 1rtj h GLY 196 Ca 0.41 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 1rtj h GLY 196 CO -1.01 0.19 -0.34 1.46 0.00 0.00 0.00 176.54 176.84 1rtj h GLN 197 N 0.14 -0.88 -0.89 4.80 4.20 -1.73 -1.36 115.11 119.39 1rtj h GLN 197 Ca 0.06 0.06 0.22 0.00 0.06 0.00 0.00 58.65 59.05 1rtj h GLN 197 Cb 0.25 0.20 -0.13 0.00 0.30 0.00 0.00 27.48 28.10 1rtj h GLN 197 CO -0.00 -0.59 0.36 1.25 -0.67 0.00 0.00 178.83 179.18 1rtj h HIS 198 N -0.92 0.59 -0.18 2.96 2.76 -1.07 0.51 115.15 119.80 1rtj h HIS 198 Ca -0.09 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1rtj h HIS 198 Cb 0.72 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 1rtj h HIS 198 CO -0.05 -0.08 0.10 -0.09 -1.30 0.00 0.00 177.93 176.51 1rtj h ARG 199 N 0.36 0.25 0.05 5.26 1.12 -0.87 0.23 114.38 120.78 1rtj h ARG 199 Ca 0.56 -0.03 0.02 0.00 -1.11 0.00 0.00 59.98 59.42 1rtj h ARG 199 Cb 1.07 -0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 30.95 1rtj h ARG 199 CO -0.55 0.24 -0.19 1.15 -3.11 0.00 0.00 179.97 177.51 1rtj h THR 200 N 0.18 0.56 -0.29 0.20 2.02 0.38 -2.30 112.91 113.66 1rtj h THR 200 Ca 0.06 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.31 1rtj h THR 200 Cb 0.07 0.56 -0.07 0.00 -1.74 0.00 0.00 68.15 66.97 1rtj h THR 200 CO -0.01 0.00 -0.21 0.11 0.37 0.00 0.00 175.52 175.78 1rtj h LYS 201 N -0.33 -0.18 -0.13 6.66 1.79 0.55 0.44 116.57 125.37 1rtj h LYS 201 Ca 0.04 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.56 1rtj h LYS 201 Cb 0.38 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1rtj h LYS 201 CO -0.14 -0.12 0.20 0.82 -1.08 0.00 0.00 179.45 179.13 1rtj h ILE 202 N -0.18 0.32 0.12 1.86 5.03 -0.39 0.19 117.51 124.46 1rtj h ILE 202 Ca 0.15 0.00 -0.27 0.00 -0.12 0.00 0.00 64.86 64.62 1rtj h ILE 202 Cb 0.42 0.83 0.01 0.00 -3.03 0.00 0.00 36.82 35.04 1rtj h ILE 202 CO -0.40 0.00 -1.23 -0.08 -0.68 0.00 0.00 178.15 175.77 1rtj h GLU 203 N 0.00 0.31 0.74 2.37 4.57 0.39 -2.01 114.58 120.95 1rtj h GLU 203 Ca 0.06 -0.50 -0.04 0.00 -1.18 0.00 0.00 59.36 57.71 1rtj h GLU 203 Cb 0.47 0.18 0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1rtj h GLU 203 CO -0.00 1.23 -0.36 1.49 -1.18 0.00 0.00 179.01 180.19 1rtj h GLU 204 N 0.10 -0.96 -0.82 1.92 4.81 0.72 -1.88 114.58 118.46 1rtj h GLU 204 Ca -0.14 0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.27 1rtj h GLU 204 Cb 1.94 0.22 -0.13 0.00 0.63 0.00 0.00 28.75 31.41 1rtj h GLU 204 CO 0.21 -0.64 -0.46 1.25 -0.73 0.00 0.00 179.01 178.63 1rtj h LEU 205 N -1.01 -1.66 -1.88 1.64 6.46 -1.16 0.40 115.31 118.10 1rtj h LEU 205 Ca -0.10 0.29 0.07 0.00 -0.12 0.00 0.00 57.88 58.01 1rtj h LEU 205 Cb 0.76 0.78 -0.02 0.00 -0.73 0.00 0.00 40.66 41.46 1rtj h LEU 205 CO 0.17 -0.29 0.23 -0.09 -0.62 0.00 0.00 178.44 177.83 1rtj h ARG 206 N -0.10 0.14 0.02 1.25 2.43 -1.34 0.88 114.38 117.67 1rtj h ARG 206 Ca 0.23 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1rtj h ARG 206 Cb 0.54 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1rtj h ARG 206 CO -0.85 0.09 -0.01 1.96 -1.51 0.00 0.00 179.97 179.65 1rtj h GLN 207 N 0.15 -0.02 -0.69 0.20 4.20 0.54 -2.13 115.11 117.35 1rtj h GLN 207 Ca 0.15 0.00 0.15 0.00 0.06 0.00 0.00 58.65 59.01 1rtj h GLN 207 Cb 0.40 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.06 1rtj h GLN 207 CO -0.02 0.70 -0.07 1.25 -0.67 0.00 0.00 178.83 180.02 1rtj h HIS 208 N -0.78 -0.18 -0.11 2.96 2.76 0.06 1.08 115.15 120.94 1rtj h HIS 208 Ca -0.00 0.06 -0.08 0.00 -2.20 0.00 0.00 60.37 58.14 1rtj h HIS 208 Cb 0.72 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.86 1rtj h HIS 208 CO 0.18 -0.25 -0.30 -0.07 -1.30 0.00 0.00 177.93 176.19 1rtj h LEU 209 N 0.06 0.21 -1.69 0.26 3.38 -0.93 0.79 115.31 117.39 1rtj h LEU 209 Ca 0.36 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1rtj h LEU 209 Cb 0.59 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1rtj h LEU 209 CO -0.65 0.51 -0.11 -0.07 0.09 0.00 0.00 178.44 178.21 1rtj h LEU 210 N 0.18 0.00 -2.26 1.67 -0.00 0.16 -1.66 115.31 113.40 1rtj h LEU 210 Ca 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1rtj h LEU 210 Cb 0.63 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.29 1rtj h LEU 210 CO 0.05 0.11 -0.02 0.03 -0.00 0.00 0.00 178.44 178.61 1rtj h ARG 211 N 0.00 0.00 0.00 1.13 3.08 0.27 -2.99 114.38 115.87 1rtj h ARG 211 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1rtj h ARG 211 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1rtj h ARG 211 CO 0.01 0.02 -0.03 0.91 -1.07 0.00 0.00 179.97 179.82 1rtj n TRP 212 N -3.20 0.00 0.00 3.04 7.02 -0.74 -4.98 117.44 118.58 1rtj n TRP 212 Ca -0.02 -0.84 0.00 0.00 -1.02 0.00 0.00 57.50 55.62 1rtj n TRP 212 Cb 0.18 -0.12 0.00 0.00 -2.42 0.00 0.00 31.31 28.95 1rtj n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1rtj n GLY 213 N -1.17 0.38 3.44 6.99 0.00 -1.13 -4.47 105.19 109.23 1rtj n GLY 213 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 1rtj n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rtj s LEU 214 N 0.00 4.87 -0.01 0.99 1.02 -0.70 -3.39 118.68 121.46 1rtj s LEU 214 Ca 0.00 -1.53 -0.28 0.00 0.02 0.00 0.00 54.13 52.34 1rtj s LEU 214 Cb 0.00 -2.39 -0.03 0.00 0.02 0.00 0.00 46.19 43.79 1rtj s LEU 214 CO 0.00 -1.22 0.89 -0.89 0.02 0.00 0.00 176.35 175.15 1rtj s THR 215 N 3.20 4.90 -0.11 5.49 2.01 -1.26 -3.25 115.64 126.62 1rtj s THR 215 Ca 0.25 1.87 -0.03 0.00 0.31 0.00 0.00 61.69 64.09 1rtj s THR 215 Cb -0.13 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 1rtj s THR 215 CO 0.01 0.20 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.24 1rtj s THR 216 N 0.87 4.17 0.12 -0.82 2.01 -1.26 -4.74 115.64 115.98 1rtj s THR 216 Ca 0.47 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 1rtj s THR 216 Cb -0.20 -2.78 -0.07 0.00 0.01 0.00 0.00 72.50 69.46 1rtj s THR 216 CO 0.25 0.56 1.22 -2.16 -0.69 0.00 0.00 174.62 173.80 1rtj s PRO 217 N -0.39 4.44 -0.09 4.92 0.04 -1.26 -4.97 135.00 137.69 1rtj s PRO 217 Ca 0.07 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1rtj s PRO 217 Cb -0.12 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 31.07 1rtj s PRO 217 CO 0.02 -0.21 -0.08 -0.40 0.04 0.00 0.00 177.00 176.36 1rtj n ASP 218 N 3.37 3.16 0.00 6.66 5.68 -1.26 -4.57 116.55 129.59 1rtj n ASP 218 Ca 0.07 -0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 1rtj n ASP 218 Cb 0.45 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 1rtj n ASP 218 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1rtj n LYS 219 N -2.80 0.00 0.12 0.11 4.01 -1.26 -4.34 118.16 114.00 1rtj n LYS 219 Ca -0.17 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.69 1rtj n LYS 219 Cb 0.67 -0.33 0.32 0.00 -0.51 0.00 0.00 35.03 35.19 1rtj n LYS 219 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1rtj n LYS 220 N -2.48 0.08 -0.41 1.97 4.81 -1.26 -2.30 118.16 118.57 1rtj n LYS 220 Ca 0.00 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1rtj n LYS 220 Cb 0.00 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.13 1rtj n LYS 220 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1rtj n HIS 221 N -1.92 0.00 -0.52 5.64 -0.00 -1.26 -5.13 115.22 112.03 1rtj n HIS 221 Ca -0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.43 1rtj n HIS 221 Cb 0.19 -0.00 0.26 0.00 -0.00 0.00 0.00 29.99 30.43 1rtj n HIS 221 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1rtj s GLN 222 N 0.00 -1.30 -0.20 -0.41 -0.44 -0.97 -4.92 119.66 111.42 1rtj s GLN 222 Ca 0.00 0.71 0.01 0.00 -2.50 0.00 0.00 55.36 53.58 1rtj s GLN 222 Cb 0.00 -1.52 0.04 0.00 -1.64 0.00 0.00 33.01 29.89 1rtj s GLN 222 CO 0.00 -3.94 -0.11 0.15 0.50 0.00 0.00 175.29 171.89 1rtj s LYS 223 N -4.53 2.10 0.00 1.67 1.02 -1.26 -5.07 119.74 113.67 1rtj s LYS 223 Ca 0.69 -0.86 0.04 0.00 0.02 0.00 0.00 55.97 55.86 1rtj s LYS 223 Cb -0.24 -2.44 -0.03 0.00 -0.52 0.00 0.00 37.83 34.60 1rtj s LYS 223 CO 0.64 -0.42 -0.10 -2.00 -0.92 0.00 0.00 175.35 172.56 1rtj s GLU 224 N 1.38 2.46 0.51 1.68 2.12 -1.26 -4.77 118.70 120.82 1rtj s GLU 224 Ca -0.01 -0.77 -0.21 0.00 0.36 0.00 0.00 54.97 54.35 1rtj s GLU 224 Cb -0.16 -2.43 -0.08 0.00 0.26 0.00 0.00 34.13 31.71 1rtj s GLU 224 CO -0.08 0.59 0.83 -2.30 -0.54 0.00 0.00 175.26 173.76 1rtj n PRO 225 N 1.63 0.93 -1.52 4.30 -0.02 -1.26 -4.49 135.00 134.58 1rtj n PRO 225 Ca -0.16 0.35 -0.32 0.00 -2.02 0.00 0.00 63.50 61.35 1rtj n PRO 225 Cb 0.52 -1.95 0.07 0.00 -0.02 0.00 0.00 33.50 32.12 1rtj n PRO 225 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1rtj s PRO 226 N -2.22 2.59 -0.18 0.52 0.04 -1.26 -5.15 135.00 129.35 1rtj s PRO 226 Ca 0.68 1.22 -0.05 0.00 0.04 0.00 0.00 61.00 62.89 1rtj s PRO 226 Cb -0.49 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 1rtj s PRO 226 CO 0.53 -1.39 0.01 -0.06 0.04 0.00 0.00 177.00 176.13 1rtj s PHE 227 N -2.71 3.10 0.84 0.56 0.08 -1.16 -4.88 117.98 113.82 1rtj s PHE 227 Ca 0.63 -0.22 -0.11 0.00 0.12 0.00 0.00 56.93 57.35 1rtj s PHE 227 Cb -0.18 -2.04 0.10 0.00 -0.57 0.00 0.00 43.02 40.33 1rtj s PHE 227 CO 0.50 -0.04 1.09 -0.51 -0.10 0.00 0.00 175.22 176.16 1rtj s LEU 228 N 0.59 2.58 -0.35 -0.37 1.43 -1.25 -0.28 118.68 121.02 1rtj s LEU 228 Ca -0.00 1.60 -0.04 0.00 -1.03 0.00 0.00 54.13 54.66 1rtj s LEU 228 Cb -0.14 -4.15 0.23 0.00 0.03 0.00 0.00 46.19 42.17 1rtj s LEU 228 CO 0.02 -2.35 1.12 1.87 0.23 0.00 0.00 176.35 177.24 1rtj n TRP 229 N -3.71 -0.90 -0.52 0.29 -0.00 0.04 -4.85 117.44 107.79 1rtj n TRP 229 Ca 0.08 -0.75 0.00 0.00 -0.00 0.00 0.00 57.50 56.83 1rtj n TRP 229 Cb 0.54 1.13 0.00 0.00 -0.00 0.00 0.00 31.31 32.98 1rtj n TRP 229 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1rtj n MET 230 N 2.22 0.00 0.00 5.87 0.00 -1.26 -2.04 117.12 121.91 1rtj n MET 230 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.78 1rtj n MET 230 Cb 0.66 -4.32 0.00 0.00 0.00 0.00 0.00 33.22 29.56 1rtj n MET 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1rtj n GLY 231 N -2.00 0.00 3.42 3.17 0.00 -1.26 -5.02 105.19 103.49 1rtj n GLY 231 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1rtj n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rtj s TYR 232 N 0.00 2.49 -0.31 1.61 2.02 -0.86 0.18 117.35 122.48 1rtj s TYR 232 Ca 0.00 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.41 1rtj s TYR 232 Cb 0.00 -1.47 0.10 0.00 -0.40 0.00 0.00 41.96 40.19 1rtj s TYR 232 CO 0.00 0.19 0.08 -1.21 -1.57 0.00 0.00 175.55 173.03 1rtj s GLU 233 N -1.25 0.99 0.44 -0.62 2.02 0.38 -0.78 118.70 119.88 1rtj s GLU 233 Ca 0.13 -1.31 -0.24 0.00 0.02 0.00 0.00 54.97 53.57 1rtj s GLU 233 Cb -0.10 -2.39 -0.08 0.00 0.10 0.00 0.00 34.13 31.66 1rtj s GLU 233 CO 0.03 -0.95 1.20 -1.17 0.02 0.00 0.00 175.26 174.40 1rtj s LEU 234 N 1.39 4.08 0.00 1.80 2.96 0.61 -1.18 118.68 128.34 1rtj s LEU 234 Ca 0.09 2.41 0.00 0.00 -0.22 0.00 0.00 54.13 56.41 1rtj s LEU 234 Cb -0.18 -4.13 0.00 0.00 0.50 0.00 0.00 46.19 42.38 1rtj s LEU 234 CO -0.19 -0.89 0.00 1.41 -1.32 0.00 0.00 176.35 175.36 1rtj n HIS 235 N -0.27 0.00 0.00 5.38 8.25 -0.77 -3.00 115.22 124.81 1rtj n HIS 235 Ca 0.06 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.45 1rtj n HIS 235 Cb 0.47 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.52 1rtj n HIS 235 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1rtj h PRO 236 N 0.00 -0.12 -0.11 -0.41 0.13 -1.98 -3.41 132.00 126.10 1rtj h PRO 236 Ca 0.00 0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.08 1rtj h PRO 236 Cb 0.00 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.12 1rtj h PRO 236 CO 0.00 0.22 -0.35 -0.25 -0.23 0.00 0.00 178.00 177.39 1rtj n ASP 237 N -4.83 1.98 -3.62 1.44 8.00 -1.26 -4.86 116.55 113.40 1rtj n ASP 237 Ca -0.05 -3.84 -0.03 0.00 0.71 0.00 0.00 54.79 51.57 1rtj n ASP 237 Cb 0.19 -0.56 -0.02 0.00 -0.02 0.00 0.00 41.12 40.71 1rtj n ASP 237 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1rtj s LYS 238 N -3.23 0.19 0.13 -1.24 -2.85 -1.26 -4.71 119.74 106.77 1rtj s LYS 238 Ca 0.40 -0.07 0.10 0.00 -1.00 0.00 0.00 55.97 55.40 1rtj s LYS 238 Cb 0.38 0.09 -0.04 0.00 -2.06 0.00 0.00 37.83 36.20 1rtj s LYS 238 CO -0.05 -0.08 -0.24 1.67 0.10 0.00 0.00 175.35 176.75 1rtj s TRP 239 N -2.26 2.09 0.13 1.78 1.48 0.42 -1.85 118.94 120.73 1rtj s TRP 239 Ca 0.11 -0.40 0.06 0.00 -1.06 0.00 0.00 56.10 54.80 1rtj s TRP 239 Cb -0.01 -1.12 -0.04 0.00 -1.16 0.00 0.00 33.47 31.14 1rtj s TRP 239 CO -0.04 0.30 -0.13 0.95 -4.06 0.00 0.00 176.95 173.98 1rtj s THR 240 N -1.21 1.31 -0.55 0.66 -4.23 -0.33 -0.26 115.64 111.04 1rtj s THR 240 Ca 0.12 -1.83 -0.21 0.00 -1.18 0.00 0.00 61.69 58.59 1rtj s THR 240 Cb -0.10 -1.63 0.06 0.00 1.34 0.00 0.00 72.50 72.17 1rtj s THR 240 CO 0.06 -0.51 0.77 -0.69 -0.54 0.00 0.00 174.62 173.71 1rtj s VAL 241 N -2.48 4.65 -0.32 2.29 1.01 -1.07 -0.47 120.40 124.01 1rtj s VAL 241 Ca 0.12 -0.34 -0.41 0.00 0.00 0.00 0.00 61.98 61.35 1rtj s VAL 241 Cb -0.03 -4.45 -0.16 0.00 0.00 0.00 0.00 36.38 31.75 1rtj s VAL 241 CO 0.03 -1.03 1.79 0.00 0.00 0.00 0.00 175.10 175.88 1rtj n GLN 242 N 6.77 0.99 -1.27 2.72 6.02 0.48 -4.77 117.38 128.31 1rtj n GLN 242 Ca -0.04 0.36 -0.38 0.00 -0.01 0.00 0.00 57.00 56.93 1rtj n GLN 242 Cb 0.45 -2.05 0.04 0.00 1.02 0.00 0.00 30.24 29.70 1rtj n GLN 242 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1rtj n PRO 243 N 5.60 0.20 -4.23 -1.09 -0.02 -1.26 -4.85 135.00 129.34 1rtj n PRO 243 Ca 0.29 0.08 -0.19 0.00 -2.02 0.00 0.00 63.50 61.66 1rtj n PRO 243 Cb 0.11 -1.39 -0.16 0.00 -0.02 0.00 0.00 33.50 32.05 1rtj n PRO 243 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1rtj s ILE 244 N -1.91 0.59 0.06 4.25 1.10 -1.26 -5.08 121.20 118.94 1rtj s ILE 244 Ca 0.60 -0.21 0.06 0.00 -0.51 0.00 0.00 60.65 60.59 1rtj s ILE 244 Cb -0.41 -0.57 -0.04 0.00 0.15 0.00 0.00 42.46 41.60 1rtj s ILE 244 CO 0.63 0.21 -0.09 0.68 -2.11 0.00 0.00 174.94 174.27 1rtj s VAL 245 N 0.54 3.46 -0.45 4.00 -7.23 -1.26 -4.84 120.40 114.62 1rtj s VAL 245 Ca -0.07 -1.06 -0.16 0.00 -1.81 0.00 0.00 61.98 58.88 1rtj s VAL 245 Cb -0.11 -2.57 0.05 0.00 0.56 0.00 0.00 36.38 34.32 1rtj s VAL 245 CO 0.00 0.24 0.40 -0.76 -0.31 0.00 0.00 175.10 174.67 1rtj s LEU 246 N -1.85 5.32 -0.88 1.32 1.43 -1.26 -5.00 118.68 117.75 1rtj s LEU 246 Ca 0.20 -1.08 -0.25 0.00 -1.03 0.00 0.00 54.13 51.97 1rtj s LEU 246 Cb -0.11 -2.23 -0.21 0.00 0.03 0.00 0.00 46.19 43.67 1rtj s LEU 246 CO 0.11 -0.61 2.50 -0.81 0.23 0.00 0.00 176.35 177.77 1rtj n PRO 247 N 5.33 0.25 -2.30 1.29 -0.04 -1.26 -4.91 135.00 133.37 1rtj n PRO 247 Ca -0.11 -0.08 -0.39 0.00 -0.04 0.00 0.00 63.50 62.89 1rtj n PRO 247 Cb 0.45 -1.97 -0.02 0.00 -0.04 0.00 0.00 33.50 31.92 1rtj n PRO 247 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1rtj s GLU 248 N 8.41 4.19 -0.10 0.54 2.12 -1.26 -5.01 118.70 127.61 1rtj s GLU 248 Ca 1.24 1.88 -0.31 0.00 0.36 0.00 0.00 54.97 58.14 1rtj s GLU 248 Cb -0.86 -2.81 0.11 0.00 0.26 0.00 0.00 34.13 30.83 1rtj s GLU 248 CO 0.43 -0.21 1.39 -1.59 -0.54 0.00 0.00 175.26 174.74 1rtj s LYS 249 N -2.09 0.02 -0.25 4.30 -2.85 -1.26 -5.07 119.74 112.53 1rtj s LYS 249 Ca 0.54 -0.01 0.19 0.00 -1.00 0.00 0.00 55.97 55.69 1rtj s LYS 249 Cb -0.32 0.01 0.49 0.00 -2.06 0.00 0.00 37.83 35.95 1rtj s LYS 249 CO 0.41 -0.01 1.13 -0.40 0.10 0.00 0.00 175.35 176.58 1rtj n ASP 250 N -0.87 2.37 -2.88 0.03 5.75 -1.26 -4.86 116.55 114.82 1rtj n ASP 250 Ca 0.02 -2.48 -0.11 0.00 -0.01 0.00 0.00 54.79 52.22 1rtj n ASP 250 Cb 0.60 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 1rtj n ASP 250 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1rtj n SER 251 N -0.58 -2.48 -4.62 -1.12 7.64 -1.26 -5.11 113.62 106.09 1rtj n SER 251 Ca 0.16 -2.98 -0.43 0.00 1.01 0.00 0.00 58.87 56.63 1rtj n SER 251 Cb 0.86 1.24 -0.02 0.00 -1.01 0.00 0.00 64.21 65.27 1rtj n SER 251 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1rtj s TRP 252 N 0.47 3.02 0.61 1.43 0.52 -1.26 -5.03 118.94 118.69 1rtj s TRP 252 Ca 0.32 0.92 -0.05 0.00 0.02 0.00 0.00 56.10 57.30 1rtj s TRP 252 Cb 0.11 -3.92 0.02 0.00 -1.15 0.00 0.00 33.47 28.54 1rtj s TRP 252 CO -0.15 -0.95 0.91 0.99 0.02 0.00 0.00 176.95 177.77 1rtj s THR 253 N 3.86 3.29 0.14 2.01 2.01 -1.26 -1.27 115.64 124.42 1rtj s THR 253 Ca 0.44 -0.11 -0.16 0.00 0.31 0.00 0.00 61.69 62.17 1rtj s THR 253 Cb -0.10 -3.32 0.01 0.00 0.01 0.00 0.00 72.50 69.09 1rtj s THR 253 CO 0.22 -0.33 1.74 0.58 -0.69 0.00 0.00 174.62 176.14 1rtj h VAL 254 N -0.24 1.16 -0.03 3.82 2.07 0.07 -0.83 116.25 122.26 1rtj h VAL 254 Ca -0.45 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1rtj h VAL 254 Cb 1.27 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1rtj h VAL 254 CO 0.60 0.16 -0.06 0.78 0.02 0.00 0.00 177.57 179.08 1rtj h ASN 255 N 0.52 -0.18 -1.01 0.57 -0.26 -1.74 -0.43 115.58 113.05 1rtj h ASN 255 Ca 0.14 0.02 0.32 0.00 -0.56 0.00 0.00 56.30 56.22 1rtj h ASN 255 Cb 0.07 0.07 -0.15 0.00 -1.06 0.00 0.00 38.32 37.26 1rtj h ASN 255 CO -0.02 -0.04 0.58 0.44 -1.06 0.00 0.00 177.43 177.33 1rtj h ASP 256 N -0.04 0.52 0.83 5.81 3.32 -1.85 0.25 116.42 125.26 1rtj h ASP 256 Ca 0.01 0.18 -0.13 0.00 0.02 0.00 0.00 57.03 57.12 1rtj h ASP 256 Cb 0.06 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1rtj h ASP 256 CO -0.06 -0.12 -0.60 0.40 -1.72 0.00 0.00 179.24 177.15 1rtj h ILE 257 N 0.34 1.27 0.19 0.35 2.04 -0.13 -1.59 117.51 119.98 1rtj h ILE 257 Ca 0.73 -2.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.42 1rtj h ILE 257 Cb 1.67 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 39.97 1rtj h ILE 257 CO -0.59 0.58 -0.09 1.56 0.00 0.00 0.00 178.15 179.62 1rtj h GLN 258 N 0.00 -0.25 -0.56 2.37 4.20 0.10 -0.34 115.11 120.64 1rtj h GLN 258 Ca -0.01 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.83 1rtj h GLN 258 Cb 1.17 0.06 -0.09 0.00 0.30 0.00 0.00 27.48 28.91 1rtj h GLN 258 CO 0.08 0.12 0.00 0.87 -0.67 0.00 0.00 178.83 179.23 1rtj h LYS 259 N -0.93 0.12 0.05 1.46 1.57 -1.28 0.67 116.57 118.22 1rtj h LYS 259 Ca -0.03 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1rtj h LYS 259 Cb 0.49 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1rtj h LYS 259 CO 0.04 0.08 -0.16 1.25 -0.57 0.00 0.00 179.45 180.09 1rtj h LEU 260 N 0.12 -0.45 -1.76 2.94 5.85 -1.33 0.39 115.31 121.07 1rtj h LEU 260 Ca 0.29 0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.12 1rtj h LEU 260 Cb 0.45 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1rtj h LEU 260 CO -0.47 -0.22 0.27 0.58 -0.34 0.00 0.00 178.44 178.26 1rtj h VAL 261 N -0.28 0.96 0.32 1.05 2.07 0.33 0.28 116.25 120.97 1rtj h VAL 261 Ca 0.04 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1rtj h VAL 261 Cb 0.33 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1rtj h VAL 261 CO -0.12 0.05 -0.15 1.23 0.02 0.00 0.00 177.57 178.60 1rtj h GLY 262 N 0.30 -0.45 0.08 2.17 0.00 0.42 0.11 103.07 105.70 1rtj h GLY 262 Ca 0.17 0.17 0.13 0.00 0.00 0.00 0.00 47.33 47.80 1rtj h GLY 262 CO -0.04 -0.16 0.17 0.50 0.00 0.00 0.00 176.54 177.01 1rtj h LYS 263 N -0.43 0.28 -0.53 4.80 1.79 -0.24 0.86 116.57 123.10 1rtj h LYS 263 Ca -0.04 -0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.50 1rtj h LYS 263 Cb 0.33 -0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 30.85 1rtj h LYS 263 CO 0.07 0.19 0.15 -0.07 -1.08 0.00 0.00 179.45 178.71 1rtj h LEU 264 N 0.29 0.09 -0.73 2.94 -0.00 -0.79 0.15 115.31 117.26 1rtj h LEU 264 Ca 0.37 0.08 -0.12 0.00 -0.00 0.00 0.00 57.88 58.21 1rtj h LEU 264 Cb 0.58 0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.32 1rtj h LEU 264 CO -0.44 0.07 -0.33 -1.13 -0.00 0.00 0.00 178.44 176.61 1rtj h ASN 265 N 0.30 0.62 -0.89 -0.43 -1.24 0.15 -0.88 115.58 113.22 1rtj h ASN 265 Ca 0.27 -0.25 0.02 0.00 0.71 0.00 0.00 56.30 57.05 1rtj h ASN 265 Cb 0.34 -0.17 -0.05 0.00 0.73 0.00 0.00 38.32 39.17 1rtj h ASN 265 CO -0.31 0.91 0.58 -0.25 -1.29 0.00 0.00 177.43 177.07 1rtj h TRP 266 N 0.51 1.10 -0.25 0.67 7.01 0.22 -2.90 115.95 122.30 1rtj h TRP 266 Ca 0.06 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.03 1rtj h TRP 266 Cb 0.82 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 27.50 1rtj h TRP 266 CO 0.03 0.67 -0.06 0.00 -2.79 0.00 0.00 178.44 176.29 1rtj h ALA 267 N 1.34 0.34 0.00 2.65 0.00 -0.42 -3.28 119.26 119.89 1rtj h ALA 267 Ca 0.34 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1rtj h ALA 267 Cb -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1rtj h ALA 267 CO -0.09 0.14 0.61 -1.13 0.00 0.00 0.00 179.25 178.78 1rtj n SER 268 N -4.56 0.03 0.04 0.00 3.41 -0.37 -1.54 113.62 110.64 1rtj n SER 268 Ca -0.04 0.20 -0.10 0.00 -0.26 0.00 0.00 58.87 58.68 1rtj n SER 268 Cb 0.30 -0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.12 1rtj n SER 268 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1rtj h GLN 269 N 0.00 -0.19 -0.00 4.33 1.08 -1.73 -3.29 115.11 115.31 1rtj h GLN 269 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1rtj h GLN 269 Cb 1.21 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1rtj h GLN 269 CO 0.00 0.24 -0.53 0.44 -0.95 0.00 0.00 178.83 178.02 1rtj n ILE 270 N -4.89 0.00 -3.30 2.54 -5.35 -0.59 -3.69 119.36 104.08 1rtj n ILE 270 Ca -0.07 -0.04 -0.26 0.00 -0.27 0.00 0.00 62.75 62.11 1rtj n ILE 270 Cb 0.25 0.44 -0.07 0.00 -1.74 0.00 0.00 39.64 38.53 1rtj n ILE 270 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1rtj n TYR 271 N -1.27 3.23 -1.82 4.28 4.01 -0.85 -4.97 117.16 119.77 1rtj n TYR 271 Ca 0.07 -4.06 -0.42 0.00 -0.16 0.00 0.00 57.90 53.33 1rtj n TYR 271 Cb 0.34 -0.52 -0.03 0.00 -0.31 0.00 0.00 39.34 38.82 1rtj n TYR 271 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1rtj s PRO 272 N -2.54 4.17 0.00 -0.72 0.02 -1.24 -2.40 135.00 132.29 1rtj s PRO 272 Ca 0.41 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.89 1rtj s PRO 272 Cb 0.18 -3.64 0.00 0.00 0.02 0.00 0.00 34.50 31.06 1rtj s PRO 272 CO -0.05 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.24 1rtj n GLY 273 N 4.13 0.97 3.69 0.52 0.00 -1.26 -5.10 105.19 108.13 1rtj n GLY 273 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1rtj n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rtj s ILE 274 N 0.00 4.06 0.03 -0.61 -1.09 -1.01 -4.97 121.20 117.61 1rtj s ILE 274 Ca 0.00 1.40 0.08 0.00 -2.23 0.00 0.00 60.65 59.90 1rtj s ILE 274 Cb 0.00 -3.90 -0.02 0.00 -1.58 0.00 0.00 42.46 36.96 1rtj s ILE 274 CO 0.00 -0.01 -0.22 -0.54 -1.23 0.00 0.00 174.94 172.94 1rtj s LYS 275 N 2.36 1.54 0.00 2.79 -0.14 -1.26 -4.87 119.74 120.16 1rtj s LYS 275 Ca 0.59 -0.95 0.00 0.00 -1.36 0.00 0.00 55.97 54.25 1rtj s LYS 275 Cb -0.27 -1.64 0.00 0.00 -1.68 0.00 0.00 37.83 34.24 1rtj s LYS 275 CO 0.23 0.43 0.75 1.33 -0.76 0.00 0.00 175.35 177.33 1rtj n VAL 276 N 1.96 0.52 -0.25 3.17 0.24 -1.26 -4.89 118.33 117.82 1rtj n VAL 276 Ca -0.17 -0.53 0.04 0.00 -2.04 0.00 0.00 64.34 61.64 1rtj n VAL 276 Cb 0.53 0.75 0.13 0.00 -1.47 0.00 0.00 33.84 33.78 1rtj n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1rtj h ARG 277 N 0.00 0.06 0.00 7.34 2.43 -2.02 -1.53 114.38 120.66 1rtj h ARG 277 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1rtj h ARG 277 Cb 0.72 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1rtj h ARG 277 CO 0.00 0.04 0.00 1.96 -1.51 0.00 0.00 179.97 180.46 1rtj h GLN 278 N 0.06 0.00 -0.99 0.20 1.08 -1.93 -1.93 115.11 111.60 1rtj h GLN 278 Ca 0.39 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.50 1rtj h GLN 278 Cb 0.66 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.04 1rtj h GLN 278 CO -0.69 0.00 0.11 1.28 -0.95 0.00 0.00 178.83 178.58 1rtj n LEU 279 N -2.98 3.47 0.00 1.46 7.99 -0.58 -3.94 117.00 122.43 1rtj n LEU 279 Ca 0.04 -1.78 0.00 0.00 -0.01 0.00 0.00 56.01 54.26 1rtj n LEU 279 Cb 0.48 -0.56 0.00 0.00 -0.11 0.00 0.00 43.42 43.22 1rtj n LEU 279 CO 0.32 0.57 0.00 0.29 -1.51 0.00 0.00 177.39 177.06 1rtj n LYS 281 N 0.16 0.00 0.00 3.23 5.02 -0.73 -4.11 118.16 121.73 1rtj n LYS 281 Ca 0.11 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.52 1rtj n LYS 281 Cb 0.69 0.00 0.57 0.00 -0.02 0.00 0.00 35.03 36.27 1rtj n LYS 281 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1rtj n LEU 282 N 0.00 0.00 0.04 -0.35 4.32 -1.25 -2.81 117.00 116.95 1rtj n LEU 282 Ca 0.00 0.37 -0.08 0.00 -0.02 0.00 0.00 56.01 56.29 1rtj n LEU 282 Cb 0.00 -0.37 -0.13 0.00 -1.62 0.00 0.00 43.42 41.30 1rtj n LEU 282 CO 0.00 -0.07 -0.06 -0.07 -1.22 0.00 0.00 177.39 175.97 1rtj h LEU 283 N 0.00 0.00 -9.06 2.23 4.07 -1.94 -3.45 115.31 107.16 1rtj h LEU 283 Ca 0.00 -0.00 -0.79 0.00 0.08 0.00 0.00 57.88 57.17 1rtj h LEU 283 Cb 0.30 -0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.08 1rtj h LEU 283 CO 0.00 1.00 0.36 0.54 -1.08 0.00 0.00 178.44 179.27 1rtj n ARG 284 N -3.26 0.32 -1.31 1.13 1.74 -1.12 -1.66 116.66 112.49 1rtj n ARG 284 Ca -0.05 0.12 -0.12 0.00 -0.77 0.00 0.00 57.85 57.03 1rtj n ARG 284 Cb 0.97 -1.66 -0.05 0.00 -1.02 0.00 0.00 32.46 30.70 1rtj n ARG 284 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rtj n GLY 285 N 2.55 1.12 3.77 -0.13 0.00 -1.26 -4.96 105.19 106.27 1rtj n GLY 285 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 1rtj n GLY 285 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rtj s THR 286 N -1.97 2.45 -1.27 2.61 -4.23 -0.66 -4.98 115.64 107.59 1rtj s THR 286 Ca 0.00 0.40 0.12 0.00 -1.18 0.00 0.00 61.69 61.03 1rtj s THR 286 Cb 0.00 -3.23 0.20 0.00 1.34 0.00 0.00 72.50 70.81 1rtj s THR 286 CO 0.00 0.05 1.06 2.29 -0.54 0.00 0.00 174.62 177.48 1rtj n LYS 287 N -0.01 1.65 -3.61 3.99 2.85 -1.26 -5.03 118.16 116.74 1rtj n LYS 287 Ca 0.04 -1.61 -0.07 0.00 -1.05 0.00 0.00 58.31 55.62 1rtj n LYS 287 Cb 0.43 -1.26 -0.05 0.00 -0.65 0.00 0.00 35.03 33.50 1rtj n LYS 287 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1rtj s ALA 288 N -1.00 -2.01 0.14 0.58 0.00 -1.26 -4.97 121.76 113.23 1rtj s ALA 288 Ca 0.19 1.72 -0.17 0.00 0.00 0.00 0.00 51.96 53.69 1rtj s ALA 288 Cb 0.11 -1.13 -0.00 0.00 0.00 0.00 0.00 23.12 22.10 1rtj s ALA 288 CO 0.16 -0.26 1.79 -0.07 0.00 0.00 0.00 175.76 177.38 1rtj h LEU 289 N 2.74 0.32 0.00 0.00 -0.00 -1.97 -0.89 115.31 115.51 1rtj h LEU 289 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 1rtj h LEU 289 Cb 1.17 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1rtj h LEU 289 CO 0.24 0.23 0.00 0.35 -0.00 0.00 0.00 178.44 179.27 1rtj n THR 290 N -4.90 0.13 -1.81 0.22 -2.24 -1.26 -1.46 114.28 102.96 1rtj n THR 290 Ca -0.01 0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 1rtj n THR 290 Cb 0.05 -0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 67.55 1rtj n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1rtj s GLU 291 N -2.20 4.16 -0.37 -0.78 2.12 -0.34 -4.70 118.70 116.59 1rtj s GLU 291 Ca 0.28 2.51 -0.22 0.00 0.36 0.00 0.00 54.97 57.91 1rtj s GLU 291 Cb 0.15 -3.14 0.01 0.00 0.26 0.00 0.00 34.13 31.41 1rtj s GLU 291 CO 0.27 -0.70 0.70 0.08 -0.54 0.00 0.00 175.26 175.07 1rtj s VAL 292 N 1.27 4.81 -0.33 3.70 1.01 -1.26 -1.04 120.40 128.55 1rtj s VAL 292 Ca 0.73 0.66 -0.11 0.00 0.00 0.00 0.00 61.98 63.27 1rtj s VAL 292 Cb -0.47 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 31.75 1rtj s VAL 292 CO 0.32 -0.40 0.19 -0.63 0.00 0.00 0.00 175.10 174.57 1rtj s ILE 293 N 2.90 4.82 0.35 2.22 -1.09 -0.40 -5.00 121.20 125.00 1rtj s ILE 293 Ca 0.27 -0.42 -0.27 0.00 -2.23 0.00 0.00 60.65 58.00 1rtj s ILE 293 Cb -0.14 -3.50 -0.09 0.00 -1.58 0.00 0.00 42.46 37.15 1rtj s ILE 293 CO 0.16 -0.00 1.18 -2.16 -1.23 0.00 0.00 174.94 172.90 1rtj s PRO 294 N 1.64 4.31 0.11 2.79 0.04 -1.26 -4.55 135.00 138.07 1rtj s PRO 294 Ca 0.05 1.93 -0.26 0.00 0.04 0.00 0.00 61.00 62.75 1rtj s PRO 294 Cb -0.17 -2.93 -0.07 0.00 0.04 0.00 0.00 34.50 31.37 1rtj s PRO 294 CO 0.08 -0.13 0.82 -0.51 0.04 0.00 0.00 177.00 177.30 1rtj s LEU 295 N -2.01 4.52 1.06 -3.56 1.43 -1.26 -5.05 118.68 113.81 1rtj s LEU 295 Ca 0.51 1.60 -0.14 0.00 -1.03 0.00 0.00 54.13 55.08 1rtj s LEU 295 Cb -0.33 -3.34 0.22 0.00 0.03 0.00 0.00 46.19 42.77 1rtj s LEU 295 CO 0.43 0.07 1.09 0.42 0.23 0.00 0.00 176.35 178.59 1rtj s THR 296 N -0.45 1.92 0.12 5.49 -4.23 -1.26 -4.79 115.64 112.45 1rtj s THR 296 Ca 0.39 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.66 1rtj s THR 296 Cb -0.22 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 1rtj s THR 296 CO 0.26 0.00 1.65 -0.08 -0.54 0.00 0.00 174.62 175.91 1rtj h GLU 297 N -2.13 -0.32 -0.60 3.99 4.81 -2.00 -2.33 114.58 116.01 1rtj h GLU 297 Ca -0.54 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 58.83 1rtj h GLU 297 Cb 1.33 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.69 1rtj h GLU 297 CO 0.53 -0.21 0.08 0.93 -0.73 0.00 0.00 179.01 179.61 1rtj h GLU 298 N -0.33 0.20 0.08 1.92 3.07 -1.97 0.10 114.58 117.64 1rtj h GLU 298 Ca 0.07 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.94 1rtj h GLU 298 Cb 0.42 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.26 1rtj h GLU 298 CO -0.22 0.13 -0.21 0.00 -1.40 0.00 0.00 179.01 177.30 1rtj h ALA 299 N 1.50 -0.33 -0.64 3.43 0.00 -1.70 0.89 119.26 122.41 1rtj h ALA 299 Ca 0.31 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.33 1rtj h ALA 299 Cb 0.49 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 1rtj h ALA 299 CO -0.44 -0.73 0.09 0.93 0.00 0.00 0.00 179.25 179.10 1rtj h GLU 300 N -0.38 0.20 0.83 0.00 4.39 -0.59 0.34 114.58 119.37 1rtj h GLU 300 Ca 0.04 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1rtj h GLU 300 Cb 0.42 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1rtj h GLU 300 CO -0.14 0.13 -0.40 1.25 -1.16 0.00 0.00 179.01 178.70 1rtj h LEU 301 N 0.21 -0.94 -0.17 1.33 5.85 -0.30 0.12 115.31 121.41 1rtj h LEU 301 Ca 0.35 0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.14 1rtj h LEU 301 Cb 0.56 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.78 1rtj h LEU 301 CO -0.48 -0.63 -0.13 -0.08 -0.34 0.00 0.00 178.44 176.78 1rtj h GLU 302 N -1.19 -0.13 -0.81 1.25 4.81 -0.38 0.36 114.58 118.50 1rtj h GLU 302 Ca -0.11 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.27 1rtj h GLU 302 Cb 0.86 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.21 1rtj h GLU 302 CO 0.19 -0.08 0.53 1.25 -0.73 0.00 0.00 179.01 180.16 1rtj h LEU 303 N -0.13 0.50 0.28 1.64 7.12 -0.32 -1.13 115.31 123.27 1rtj h LEU 303 Ca 0.11 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.13 1rtj h LEU 303 Cb 0.29 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.35 1rtj h LEU 303 CO -0.25 0.26 -0.14 0.00 -0.13 0.00 0.00 178.44 178.18 1rtj h ALA 304 N 1.63 -0.48 -1.26 1.25 0.00 0.98 -2.95 119.26 118.43 1rtj h ALA 304 Ca 0.40 -0.08 0.36 0.00 0.00 0.00 0.00 54.91 55.59 1rtj h ALA 304 Cb 0.79 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1rtj h ALA 304 CO -0.15 -0.45 0.96 0.93 0.00 0.00 0.00 179.25 180.54 1rtj h GLU 305 N -0.83 0.00 -0.07 0.00 5.08 -0.08 0.26 114.58 118.94 1rtj h GLU 305 Ca -0.04 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1rtj h GLU 305 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1rtj h GLU 305 CO 0.06 0.00 -0.13 -0.91 -1.00 0.00 0.00 179.01 177.04 1rtj h ASN 306 N 0.00 0.23 -0.18 1.42 2.35 -1.24 -2.86 115.58 115.30 1rtj h ASN 306 Ca 0.60 -0.55 0.05 0.00 -0.55 0.00 0.00 56.30 55.85 1rtj h ASN 306 Cb 2.52 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 40.81 1rtj h ASN 306 CO -0.01 0.74 0.28 0.03 -1.65 0.00 0.00 177.43 176.83 1rtj h ARG 307 N -0.26 0.00 -0.02 0.81 3.08 -0.30 -1.13 114.38 116.56 1rtj h ARG 307 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1rtj h ARG 307 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1rtj h ARG 307 CO 0.03 0.00 -0.05 0.93 -1.07 0.00 0.00 179.97 179.81 1rtj h GLU 308 N 0.00 0.07 -0.65 0.04 4.39 -1.29 -2.07 114.58 115.07 1rtj h GLU 308 Ca 0.09 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.74 1rtj h GLU 308 Cb 0.65 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 1rtj h GLU 308 CO -0.00 0.63 0.42 0.82 -1.16 0.00 0.00 179.01 179.73 1rtj h ILE 309 N -0.48 1.17 -0.39 3.13 1.08 -1.05 -2.83 117.51 118.13 1rtj h ILE 309 Ca 0.00 -0.32 -0.07 0.00 -0.39 0.00 0.00 64.86 64.08 1rtj h ILE 309 Cb 0.63 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 34.59 1rtj h ILE 309 CO 0.01 0.16 -0.04 -0.07 -0.69 0.00 0.00 178.15 177.52 1rtj h LEU 310 N 0.88 0.62 -1.69 1.44 3.38 -1.43 -1.29 115.31 117.21 1rtj h LEU 310 Ca 0.24 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.18 1rtj h LEU 310 Cb -0.09 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1rtj h LEU 310 CO -0.05 0.72 0.42 0.11 0.09 0.00 0.00 178.44 179.73 1rtj h LYS 311 N 0.61 0.32 -7.29 1.13 1.57 -1.11 -3.43 116.57 108.36 1rtj h LYS 311 Ca 0.12 -0.02 -0.52 0.00 -1.87 0.00 0.00 60.65 58.36 1rtj h LYS 311 Cb 0.45 -0.07 0.17 0.00 0.08 0.00 0.00 32.23 32.85 1rtj h LYS 311 CO 0.02 0.21 0.27 -2.00 -0.57 0.00 0.00 179.45 177.38 1rtj s GLU 312 N -5.32 1.62 -0.12 3.15 2.12 -0.49 -5.05 118.70 114.61 1rtj s GLU 312 Ca -0.07 1.37 0.01 0.00 0.36 0.00 0.00 54.97 56.63 1rtj s GLU 312 Cb 0.20 -1.81 -0.02 0.00 0.26 0.00 0.00 34.13 32.76 1rtj s GLU 312 CO 0.75 -2.16 -0.14 -1.25 -0.54 0.00 0.00 175.26 171.92 1rtj s PRO 313 N -4.77 3.24 -0.43 4.30 0.04 -1.26 -5.03 135.00 131.09 1rtj s PRO 313 Ca 0.64 -0.70 -0.12 0.00 0.04 0.00 0.00 61.00 60.86 1rtj s PRO 313 Cb -0.20 -2.57 0.07 0.00 0.04 0.00 0.00 34.50 31.83 1rtj s PRO 313 CO 0.57 0.27 0.30 0.14 0.04 0.00 0.00 177.00 178.32 1rtj s VAL 314 N 0.19 4.66 0.33 -0.36 -7.23 -1.26 -5.06 120.40 111.67 1rtj s VAL 314 Ca -0.08 -1.17 -0.03 0.00 -1.81 0.00 0.00 61.98 58.89 1rtj s VAL 314 Cb -0.15 -3.77 -0.04 0.00 0.56 0.00 0.00 36.38 32.97 1rtj s VAL 314 CO 0.05 -0.48 0.58 -1.00 -0.31 0.00 0.00 175.10 173.94 1rtj s HIS 315 N 1.53 3.50 0.06 2.82 3.76 -1.26 -2.60 115.29 123.10 1rtj s HIS 315 Ca 0.03 0.57 0.01 0.00 -0.15 0.00 0.00 55.06 55.51 1rtj s HIS 315 Cb -0.23 -2.06 -0.03 0.00 1.11 0.00 0.00 32.58 31.37 1rtj s HIS 315 CO 0.05 0.10 -0.05 0.20 -0.85 0.00 0.00 174.74 174.19 1rtj s GLY 316 N -3.56 0.55 0.18 -2.22 0.00 0.64 -4.89 107.32 98.01 1rtj s GLY 316 Ca 0.43 -1.08 0.04 0.00 0.00 0.00 0.00 44.72 44.12 1rtj s GLY 316 CO 0.34 -1.17 0.23 0.14 0.00 0.00 0.00 173.10 172.64 1rtj s VAL 317 N -2.95 4.90 0.45 1.40 1.01 -1.01 -0.44 120.40 123.77 1rtj s VAL 317 Ca 0.02 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1rtj s VAL 317 Cb 0.01 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1rtj s VAL 317 CO -0.05 -0.17 0.65 -0.31 0.00 0.00 0.00 175.10 175.22 1rtj s TYR 318 N -1.84 3.12 -0.15 5.22 2.02 -1.26 -4.41 117.35 120.04 1rtj s TYR 318 Ca 0.33 0.08 -0.29 0.00 -0.37 0.00 0.00 57.07 56.81 1rtj s TYR 318 Cb -0.10 -2.34 -0.01 0.00 -0.40 0.00 0.00 41.96 39.10 1rtj s TYR 318 CO 0.26 -0.40 1.22 -0.47 -1.57 0.00 0.00 175.55 174.60 1rtj s TYR 319 N -2.52 2.97 -0.54 2.71 5.04 -0.40 -4.87 117.35 119.75 1rtj s TYR 319 Ca 0.50 1.11 -0.05 0.00 -2.44 0.00 0.00 57.07 56.18 1rtj s TYR 319 Cb -0.10 -3.46 0.14 0.00 0.35 0.00 0.00 41.96 38.89 1rtj s TYR 319 CO 0.37 -1.47 0.37 0.34 -1.34 0.00 0.00 175.55 173.82 1rtj s ASP 320 N 1.79 5.48 0.54 4.32 2.15 -1.26 -3.48 116.67 126.21 1rtj s ASP 320 Ca 0.54 -2.36 0.22 0.00 0.43 0.00 0.00 52.55 51.38 1rtj s ASP 320 Cb -0.21 -1.91 1.20 0.00 -0.30 0.00 0.00 42.92 41.69 1rtj s ASP 320 CO 0.15 -0.52 1.64 -0.65 -0.17 0.00 0.00 175.17 175.62 1rtj h PRO 321 N 7.76 0.00 -0.00 4.34 0.11 -1.98 0.39 132.00 142.61 1rtj h PRO 321 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1rtj h PRO 321 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1rtj h PRO 321 CO 0.75 0.00 -0.01 0.45 -0.21 0.00 0.00 178.00 178.98 1rtj n SER 322 N -2.56 0.08 -4.40 -2.05 2.88 -1.26 -4.87 113.62 101.45 1rtj n SER 322 Ca -0.01 -0.67 -0.25 0.00 -1.33 0.00 0.00 58.87 56.61 1rtj n SER 322 Cb 0.39 -0.11 -0.11 0.00 -0.75 0.00 0.00 64.21 63.63 1rtj n SER 322 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1rtj s LYS 323 N -2.24 1.45 0.53 -1.46 2.20 0.14 -5.12 119.74 115.23 1rtj s LYS 323 Ca 0.39 -1.51 -0.20 0.00 -0.36 0.00 0.00 55.97 54.30 1rtj s LYS 323 Cb 0.21 -1.66 -0.09 0.00 -1.51 0.00 0.00 37.83 34.78 1rtj s LYS 323 CO 0.41 0.35 0.69 -0.25 -0.36 0.00 0.00 175.35 176.18 1rtj n ASP 324 N 0.19 -0.32 -4.35 1.43 9.92 -1.26 -4.89 116.55 117.27 1rtj n ASP 324 Ca -0.12 0.82 -0.32 0.00 -0.53 0.00 0.00 54.79 54.63 1rtj n ASP 324 Cb 0.57 -1.23 -0.15 0.00 -0.64 0.00 0.00 41.12 39.66 1rtj n ASP 324 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1rtj s LEU 325 N 0.14 2.51 0.05 0.64 0.20 -1.26 -4.22 118.68 116.74 1rtj s LEU 325 Ca 0.69 -0.36 0.01 0.00 0.69 0.00 0.00 54.13 55.15 1rtj s LEU 325 Cb -0.48 -1.53 -0.03 0.00 -0.43 0.00 0.00 46.19 43.73 1rtj s LEU 325 CO 0.54 0.22 -0.06 -0.63 -0.29 0.00 0.00 176.35 176.13 1rtj s ILE 326 N 0.01 0.41 -0.10 6.68 1.01 -0.25 -1.81 121.20 127.15 1rtj s ILE 326 Ca -0.06 -1.29 -0.04 0.00 0.00 0.00 0.00 60.65 59.26 1rtj s ILE 326 Cb -0.15 -0.84 0.05 0.00 0.01 0.00 0.00 42.46 41.54 1rtj s ILE 326 CO 0.05 -0.59 0.20 0.00 0.00 0.00 0.00 174.94 174.59 1rtj s ALA 327 N -2.16 -0.30 -0.04 9.38 0.00 -0.56 -2.34 121.76 125.74 1rtj s ALA 327 Ca -0.05 0.69 -0.00 0.00 0.00 0.00 0.00 51.96 52.60 1rtj s ALA 327 Cb -0.05 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1rtj s ALA 327 CO -0.02 -0.58 0.01 -2.00 0.00 0.00 0.00 175.76 173.16 1rtj s GLU 328 N 2.31 2.89 0.02 0.00 2.12 -0.91 -1.22 118.70 123.91 1rtj s GLU 328 Ca 0.02 -0.52 0.05 0.00 0.36 0.00 0.00 54.97 54.89 1rtj s GLU 328 Cb -0.12 -2.73 -0.02 0.00 0.26 0.00 0.00 34.13 31.52 1rtj s GLU 328 CO -0.07 0.66 -0.16 0.42 -0.54 0.00 0.00 175.26 175.58 1rtj s ILE 329 N -1.01 1.24 0.00 -3.70 1.01 -1.08 -1.33 121.20 116.33 1rtj s ILE 329 Ca 0.17 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 1rtj s ILE 329 Cb -0.11 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 1rtj s ILE 329 CO 0.07 0.15 0.07 0.00 0.00 0.00 0.00 174.94 175.23 1rtj s GLN 330 N -0.89 0.34 -0.40 2.79 0.00 0.17 -4.20 119.66 117.48 1rtj s GLN 330 Ca 0.04 -0.37 -0.18 0.00 -0.00 0.00 0.00 55.36 54.85 1rtj s GLN 330 Cb -0.07 0.14 0.01 0.00 0.00 0.00 0.00 33.01 33.09 1rtj s GLN 330 CO 0.01 -0.07 0.52 0.21 0.00 0.00 0.00 175.29 175.95 1rtj s LYS 331 N -1.12 3.33 0.15 9.60 2.20 -1.26 -0.85 119.74 131.79 1rtj s LYS 331 Ca -0.12 -0.45 0.25 0.00 -0.36 0.00 0.00 55.97 55.28 1rtj s LYS 331 Cb -0.07 -3.91 0.92 0.00 -1.51 0.00 0.00 37.83 33.26 1rtj s LYS 331 CO 0.00 -0.82 1.76 1.04 -0.36 0.00 0.00 175.35 176.97 1rtj n GLN 332 N 5.83 0.16 0.00 4.03 3.00 -0.82 -4.54 117.38 125.04 1rtj n GLN 332 Ca -0.05 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 1rtj n GLN 332 Cb 0.48 -1.72 0.00 0.00 0.00 0.00 0.00 30.24 29.00 1rtj n GLN 332 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1rtj n GLY 333 N 0.86 -0.14 3.68 1.08 0.00 -1.25 -4.95 105.19 104.47 1rtj n GLY 333 Ca 0.05 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1rtj n GLY 333 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rtj s GLN 334 N -2.00 4.16 -0.76 1.61 -2.07 -1.26 -2.43 119.66 116.91 1rtj s GLN 334 Ca 0.00 2.49 0.00 0.00 -1.82 0.00 0.00 55.36 56.03 1rtj s GLN 334 Cb 0.00 -3.71 0.00 0.00 -1.09 0.00 0.00 33.01 28.21 1rtj s GLN 334 CO 0.00 -0.83 0.00 0.41 -1.32 0.00 0.00 175.29 173.55 1rtj n GLY 335 N 4.20 0.90 3.18 2.60 0.00 -1.26 -4.96 105.19 109.85 1rtj n GLY 335 Ca 0.17 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 1rtj n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rtj s GLN 336 N -2.31 2.32 0.03 1.61 -0.21 -1.02 -2.35 119.66 117.72 1rtj s GLN 336 Ca 0.00 -0.74 0.02 0.00 0.02 0.00 0.00 55.36 54.67 1rtj s GLN 336 Cb 0.00 -1.90 -0.02 0.00 1.00 0.00 0.00 33.01 32.09 1rtj s GLN 336 CO 0.00 0.24 -0.08 -1.58 -2.12 0.00 0.00 175.29 171.75 1rtj s TRP 337 N 0.14 0.68 0.14 0.91 0.52 -1.19 -1.94 118.94 118.20 1rtj s TRP 337 Ca -0.09 -0.37 0.10 0.00 0.02 0.00 0.00 56.10 55.76 1rtj s TRP 337 Cb -0.14 -0.41 -0.04 0.00 -1.15 0.00 0.00 33.47 31.72 1rtj s TRP 337 CO 0.05 -0.05 -0.24 0.95 0.02 0.00 0.00 176.95 177.68 1rtj s THR 338 N -0.97 2.09 0.07 2.01 -4.23 -0.03 -0.64 115.64 113.95 1rtj s THR 338 Ca -0.05 -1.77 -0.14 0.00 -1.18 0.00 0.00 61.69 58.55 1rtj s THR 338 Cb -0.08 -1.89 0.02 0.00 1.34 0.00 0.00 72.50 71.89 1rtj s THR 338 CO 0.00 -0.02 0.32 -0.72 -0.54 0.00 0.00 174.62 173.66 1rtj s TYR 339 N -1.28 -0.10 -0.06 3.99 1.13 0.21 0.46 117.35 121.69 1rtj s TYR 339 Ca 0.13 -0.12 -0.03 0.00 -1.41 0.00 0.00 57.07 55.64 1rtj s TYR 339 Cb -0.09 0.12 0.03 0.00 -1.10 0.00 0.00 41.96 40.92 1rtj s TYR 339 CO 0.06 -0.57 0.14 1.14 -2.51 0.00 0.00 175.55 173.82 1rtj s GLN 340 N -3.09 0.10 -0.22 -3.49 0.00 -0.45 0.51 119.66 113.03 1rtj s GLN 340 Ca -0.01 0.34 -0.08 0.00 -0.00 0.00 0.00 55.36 55.61 1rtj s GLN 340 Cb 0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 33.01 32.84 1rtj s GLN 340 CO -0.07 -0.14 0.08 0.42 0.00 0.00 0.00 175.29 175.57 1rtj s ILE 341 N 1.01 4.64 0.19 3.63 1.01 0.53 -2.14 121.20 130.06 1rtj s ILE 341 Ca -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 1rtj s ILE 341 Cb -0.10 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1rtj s ILE 341 CO -0.05 0.39 0.15 -0.72 0.00 0.00 0.00 174.94 174.71 1rtj s TYR 342 N 0.98 0.99 -0.08 3.97 1.13 -0.99 -0.23 117.35 123.12 1rtj s TYR 342 Ca 0.04 -1.26 0.00 0.00 -1.41 0.00 0.00 57.07 54.44 1rtj s TYR 342 Cb -0.14 -0.46 -0.05 0.00 -1.10 0.00 0.00 41.96 40.21 1rtj s TYR 342 CO 0.03 -0.64 -0.07 1.04 -2.51 0.00 0.00 175.55 173.40 1rtj n GLN 343 N -0.23 0.19 -5.12 -3.49 6.02 -1.24 -1.09 117.38 112.42 1rtj n GLN 343 Ca -0.01 0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.71 1rtj n GLN 343 Cb 0.65 -1.15 -0.15 0.00 1.02 0.00 0.00 30.24 30.62 1rtj n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1rtj s GLU 344 N -2.15 2.35 0.31 -1.09 0.41 -1.26 -4.71 118.70 112.56 1rtj s GLU 344 Ca -0.10 -0.83 -0.26 0.00 -0.41 0.00 0.00 54.97 53.37 1rtj s GLU 344 Cb 0.03 -2.21 -0.14 0.00 -1.78 0.00 0.00 34.13 30.03 1rtj s GLU 344 CO 0.18 0.56 0.75 -2.30 -0.49 0.00 0.00 175.26 173.95 1rtj n PRO 345 N 2.47 0.79 0.00 0.39 -0.02 -1.26 -1.59 135.00 135.78 1rtj n PRO 345 Ca -0.17 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1rtj n PRO 345 Cb 0.52 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1rtj n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1rtj n PHE 346 N -0.19 0.00 -3.11 6.00 3.01 -1.26 -4.78 117.46 117.13 1rtj n PHE 346 Ca 0.12 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.14 1rtj n PHE 346 Cb 0.33 -0.56 0.00 0.00 -0.01 0.00 0.00 39.48 39.24 1rtj n PHE 346 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1rtj n LYS 347 N -1.57 3.66 -3.68 -1.08 4.76 -0.62 -5.01 118.16 114.61 1rtj n LYS 347 Ca 0.00 -4.25 -0.37 0.00 -2.87 0.00 0.00 58.31 50.83 1rtj n LYS 347 Cb 0.00 -2.70 -0.06 0.00 -1.84 0.00 0.00 35.03 30.43 1rtj n LYS 347 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1rtj s ASN 348 N 1.17 6.60 0.06 4.39 6.03 -1.26 -3.71 114.94 128.22 1rtj s ASN 348 Ca 0.35 0.71 -0.16 0.00 -1.03 0.00 0.00 52.86 52.73 1rtj s ASN 348 Cb -0.04 -2.16 -0.19 0.00 -3.03 0.00 0.00 41.25 35.84 1rtj s ASN 348 CO -0.02 0.32 1.23 -0.07 -2.03 0.00 0.00 177.10 176.53 1rtj h LEU 349 N 4.55 0.78 -7.24 3.54 3.38 -0.82 -2.67 115.31 116.84 1rtj h LEU 349 Ca -0.52 -0.67 -0.04 0.00 0.09 0.00 0.00 57.88 56.74 1rtj h LEU 349 Cb 1.22 -0.23 -0.13 0.00 0.09 0.00 0.00 40.66 41.61 1rtj h LEU 349 CO 0.62 1.33 0.04 -0.75 0.09 0.00 0.00 178.44 179.76 1rtj s LYS 350 N -3.59 1.15 0.08 1.13 2.20 0.09 -4.56 119.74 116.24 1rtj s LYS 350 Ca -0.11 -0.60 -0.06 0.00 -0.36 0.00 0.00 55.97 54.84 1rtj s LYS 350 Cb 0.07 0.52 -0.01 0.00 -1.51 0.00 0.00 37.83 36.89 1rtj s LYS 350 CO 0.87 -0.47 0.13 0.95 -0.36 0.00 0.00 175.35 176.47 1rtj s THR 351 N -3.72 0.16 0.11 3.43 -4.23 -1.26 0.20 115.64 110.34 1rtj s THR 351 Ca 0.02 -1.38 -0.26 0.00 -1.18 0.00 0.00 61.69 58.89 1rtj s THR 351 Cb 0.01 -1.42 0.08 0.00 1.34 0.00 0.00 72.50 72.51 1rtj s THR 351 CO -0.12 -0.74 1.06 -0.83 -0.54 0.00 0.00 174.62 173.46 1rtj s GLY 352 N -2.88 -0.22 0.02 3.99 0.00 0.18 -4.58 107.32 103.82 1rtj s GLY 352 Ca 0.06 0.18 -0.02 0.00 0.00 0.00 0.00 44.72 44.95 1rtj s GLY 352 CO -0.10 0.55 0.01 1.25 0.00 0.00 0.00 173.10 174.81 1rtj s LYS 353 N -2.87 0.36 -0.42 2.90 2.20 -1.26 -0.62 119.74 120.03 1rtj s LYS 353 Ca 0.15 -0.56 0.02 0.00 -0.36 0.00 0.00 55.97 55.21 1rtj s LYS 353 Cb -0.00 0.13 0.13 0.00 -1.51 0.00 0.00 37.83 36.58 1rtj s LYS 353 CO 0.01 -0.07 0.21 0.71 -0.36 0.00 0.00 175.35 175.86 1rtj s TYR 354 N -1.47 2.14 -0.42 4.03 2.02 0.19 -4.95 117.35 118.89 1rtj s TYR 354 Ca -0.16 -2.43 -0.28 0.00 -0.37 0.00 0.00 57.07 53.83 1rtj s TYR 354 Cb -0.09 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.45 1rtj s TYR 354 CO -0.00 -0.80 1.76 0.00 -1.57 0.00 0.00 175.55 174.94 1rtj s ALA 355 N 0.49 2.70 0.71 3.71 0.00 -1.26 -3.15 121.76 124.95 1rtj s ALA 355 Ca 0.16 -0.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.96 1rtj s ALA 355 Cb -0.24 -4.08 0.02 0.00 0.00 0.00 0.00 23.12 18.82 1rtj s ALA 355 CO -0.03 -2.95 1.07 1.03 0.00 0.00 0.00 175.76 174.88 1rtj s ARG 356 N 5.94 2.83 0.50 0.00 0.52 -0.99 -5.02 118.95 122.73 1rtj s ARG 356 Ca 0.74 0.80 0.18 0.00 -0.52 0.00 0.00 55.73 56.92 1rtj s ARG 356 Cb -0.18 -1.99 1.26 0.00 0.52 0.00 0.00 34.95 34.55 1rtj s ARG 356 CO 0.30 -1.13 2.10 1.98 0.02 0.00 0.00 175.30 178.57 1rtj h MET 357 N -0.74 0.00 -4.71 3.54 4.05 -1.92 -3.48 114.93 111.68 1rtj h MET 357 Ca -0.45 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1rtj h MET 357 Cb 1.22 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 1rtj h MET 357 CO 0.59 0.07 -0.06 -2.13 0.23 0.00 0.00 176.91 175.61 1rtj n ARG 358 N -4.32 -1.09 -0.80 0.39 0.63 -1.26 -4.96 116.66 105.25 1rtj n ARG 358 Ca -0.03 1.30 -0.29 0.00 -0.92 0.00 0.00 57.85 57.92 1rtj n ARG 358 Cb 0.15 -4.59 0.21 0.00 0.45 0.00 0.00 32.46 28.68 1rtj n ARG 358 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1rtj s GLY 359 N -2.63 1.58 0.16 5.14 0.00 -1.26 -4.83 107.32 105.47 1rtj s GLY 359 Ca 0.03 -0.09 0.23 0.00 0.00 0.00 0.00 44.72 44.88 1rtj s GLY 359 CO 0.55 0.54 1.69 0.00 0.00 0.00 0.00 173.10 175.88 1rtj n ALA 360 N -4.53 1.86 -3.19 3.20 0.00 -1.26 -3.68 120.51 112.91 1rtj n ALA 360 Ca 0.05 0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.55 1rtj n ALA 360 Cb 0.55 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 1rtj n ALA 360 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1rtj s HIS 361 N -3.16 -0.51 0.00 0.00 2.46 -1.26 -3.27 115.29 109.55 1rtj s HIS 361 Ca 0.07 0.61 0.00 0.00 0.47 0.00 0.00 55.06 56.21 1rtj s HIS 361 Cb 0.11 0.21 0.00 0.00 -0.13 0.00 0.00 32.58 32.77 1rtj s HIS 361 CO 0.42 -0.27 0.00 2.41 -2.47 0.00 0.00 174.74 174.83 1rtj n THR 362 N 5.32 0.00 -3.49 0.89 -1.04 -0.64 -5.01 114.28 110.30 1rtj n THR 362 Ca -0.07 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.80 1rtj n THR 362 Cb 0.54 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.01 1rtj n THR 362 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1rtj s ASN 363 N 1.18 -0.54 0.12 8.00 2.20 -1.26 -0.89 114.94 123.75 1rtj s ASN 363 Ca 0.00 0.32 -0.14 0.00 -0.94 0.00 0.00 52.86 52.10 1rtj s ASN 363 Cb 0.00 0.50 -0.05 0.00 -2.00 0.00 0.00 41.25 39.70 1rtj s ASN 363 CO 0.00 -0.69 1.50 0.44 -2.94 0.00 0.00 177.10 175.42 1rtj h ASP 364 N 2.45 0.74 -0.23 3.54 3.32 -1.93 -2.31 116.42 121.99 1rtj h ASP 364 Ca -0.27 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.39 1rtj h ASP 364 Cb 1.21 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1rtj h ASP 364 CO 0.36 0.96 0.15 0.58 -1.72 0.00 0.00 179.24 179.57 1rtj h VAL 365 N 0.52 1.06 -0.24 -1.35 2.07 -1.96 0.36 116.25 116.71 1rtj h VAL 365 Ca 0.09 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 1rtj h VAL 365 Cb 0.66 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1rtj h VAL 365 CO 0.04 0.06 -0.11 0.50 0.02 0.00 0.00 177.57 178.09 1rtj h LYS 366 N 0.32 0.50 -0.01 1.57 1.63 -1.96 -2.20 116.57 116.42 1rtj h LYS 366 Ca 0.09 -0.21 -0.09 0.00 -0.85 0.00 0.00 60.65 59.58 1rtj h LYS 366 Cb -0.03 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 1rtj h LYS 366 CO -0.02 0.76 -0.44 1.96 -3.45 0.00 0.00 179.45 178.26 1rtj h GLN 367 N 0.22 0.03 0.33 1.90 4.20 -0.61 -1.71 115.11 119.46 1rtj h GLN 367 Ca 0.05 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1rtj h GLN 367 Cb 0.60 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 1rtj h GLN 367 CO 0.03 0.46 -0.18 1.25 -0.67 0.00 0.00 178.83 179.72 1rtj h LEU 368 N 0.02 -0.45 -0.88 1.46 6.46 -0.07 -1.41 115.31 120.44 1rtj h LEU 368 Ca -0.00 0.02 0.23 0.00 -0.12 0.00 0.00 57.88 58.02 1rtj h LEU 368 Cb 0.79 0.13 -0.14 0.00 -0.73 0.00 0.00 40.66 40.70 1rtj h LEU 368 CO 0.06 -0.30 0.21 0.74 -0.62 0.00 0.00 178.44 178.53 1rtj h THR 369 N -0.48 0.29 0.00 1.05 2.02 -1.13 0.63 112.91 115.29 1rtj h THR 369 Ca -0.04 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 1rtj h THR 369 Cb 0.39 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1rtj h THR 369 CO 0.05 0.03 -0.17 -0.33 0.37 0.00 0.00 175.52 175.47 1rtj h GLU 370 N 0.18 0.00 0.11 6.66 5.08 -0.59 -1.86 114.58 124.17 1rtj h GLU 370 Ca 0.55 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.72 1rtj h GLU 370 Cb 1.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.37 1rtj h GLU 370 CO -0.67 0.17 -0.92 0.00 -1.00 0.00 0.00 179.01 176.59 1rtj h ALA 371 N 1.83 0.02 -0.75 3.43 0.00 0.12 -2.77 119.26 121.13 1rtj h ALA 371 Ca -0.00 -0.82 0.17 0.00 0.00 0.00 0.00 54.91 54.26 1rtj h ALA 371 Cb 0.78 0.23 -0.14 0.00 0.00 0.00 0.00 17.79 18.67 1rtj h ALA 371 CO 0.02 0.48 -0.07 0.28 0.00 0.00 0.00 179.25 179.97 1rtj h VAL 372 N -0.46 0.30 -0.12 0.00 2.07 -0.70 0.68 116.25 118.02 1rtj h VAL 372 Ca -0.18 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1rtj h VAL 372 Cb 1.59 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1rtj h VAL 372 CO 0.09 0.01 0.06 0.06 0.02 0.00 0.00 177.57 177.81 1rtj h GLN 373 N 0.06 0.17 -0.25 1.57 -0.00 -1.42 0.13 115.11 115.37 1rtj h GLN 373 Ca 0.40 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.97 1rtj h GLN 373 Cb 0.67 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 28.10 1rtj h GLN 373 CO -0.71 0.24 -0.04 0.87 -0.00 0.00 0.00 178.83 179.19 1rtj h LYS 374 N 0.07 0.39 0.69 0.06 1.57 -0.81 -1.81 116.57 116.72 1rtj h LYS 374 Ca 0.04 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1rtj h LYS 374 Cb 0.12 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.38 1rtj h LYS 374 CO -0.01 0.45 -0.33 0.82 -0.57 0.00 0.00 179.45 179.82 1rtj h ILE 375 N 0.38 0.00 -0.99 1.86 2.04 -0.31 -1.54 117.51 118.95 1rtj h ILE 375 Ca 0.08 -0.14 0.26 0.00 1.00 0.00 0.00 64.86 66.06 1rtj h ILE 375 Cb 0.32 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 36.21 1rtj h ILE 375 CO 0.01 0.00 -0.03 0.41 0.00 0.00 0.00 178.15 178.54 1rtj n THR 376 N -4.88 -0.42 -0.01 -0.27 -1.04 0.41 0.12 114.28 108.19 1rtj n THR 376 Ca -0.11 2.20 -0.11 0.00 -2.04 0.00 0.00 64.05 63.99 1rtj n THR 376 Cb 0.36 -3.18 -0.05 0.00 -1.82 0.00 0.00 70.33 65.64 1rtj n THR 376 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1rtj h THR 377 N 0.00 1.05 -0.47 12.58 2.02 -1.14 -1.57 112.91 125.37 1rtj h THR 377 Ca 0.58 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.66 1rtj h THR 377 Cb 1.14 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 1rtj h THR 377 CO -0.95 0.04 0.29 -0.08 0.37 0.00 0.00 175.52 175.20 1rtj h GLU 378 N 0.14 0.58 0.09 6.66 4.81 0.19 -1.57 114.58 125.48 1rtj h GLU 378 Ca 0.04 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1rtj h GLU 378 Cb 0.01 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 1rtj h GLU 378 CO -0.01 0.38 -0.09 0.77 -0.73 0.00 0.00 179.01 179.33 1rtj h SER 379 N 0.60 -0.25 -0.96 1.04 0.02 -0.55 -2.14 113.55 111.30 1rtj h SER 379 Ca 0.18 0.02 0.38 0.00 -0.84 0.00 0.00 61.79 61.53 1rtj h SER 379 Cb -0.03 0.08 -0.17 0.00 0.14 0.00 0.00 62.40 62.42 1rtj h SER 379 CO -0.06 -0.12 0.42 -0.38 -1.14 0.00 0.00 176.83 175.55 1rtj n ILE 380 N -2.85 -0.40 0.17 3.27 5.41 0.01 -0.21 119.36 124.76 1rtj n ILE 380 Ca -0.02 1.99 -0.14 0.00 1.00 0.00 0.00 62.75 65.58 1rtj n ILE 380 Cb 0.08 -3.16 -0.08 0.00 -0.71 0.00 0.00 39.64 35.77 1rtj n ILE 380 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1rtj h VAL 381 N 0.00 0.69 0.08 1.39 2.07 -1.07 -1.15 116.25 118.25 1rtj h VAL 381 Ca 0.77 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.83 1rtj h VAL 381 Cb 1.98 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1rtj h VAL 381 CO -0.77 0.09 -0.04 0.40 0.02 0.00 0.00 177.57 177.27 1rtj h ILE 382 N -0.69 1.20 -0.25 4.57 2.04 -0.39 -3.37 117.51 120.62 1rtj h ILE 382 Ca -0.04 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1rtj h ILE 382 Cb 0.48 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1rtj h ILE 382 CO 0.07 0.28 0.00 0.79 0.00 0.00 0.00 178.15 179.29 1rtj n TRP 383 N -4.89 0.32 -0.91 1.37 8.01 0.71 -4.75 117.44 117.29 1rtj n TRP 383 Ca -0.08 -0.24 -0.02 0.00 -1.31 0.00 0.00 57.50 55.84 1rtj n TRP 383 Cb 0.27 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.31 29.55 1rtj n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1rtj n GLY 384 N 0.94 0.23 3.33 6.99 0.00 -0.44 -4.88 105.19 111.36 1rtj n GLY 384 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 1rtj n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rtj s LYS 385 N -1.89 1.69 -0.09 1.61 -2.85 -1.26 -4.86 119.74 112.09 1rtj s LYS 385 Ca 0.00 -1.85 0.03 0.00 -1.00 0.00 0.00 55.97 53.16 1rtj s LYS 385 Cb 0.00 0.35 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 1rtj s LYS 385 CO 0.00 -0.64 -0.20 0.95 0.10 0.00 0.00 175.35 175.56 1rtj s THR 386 N -3.50 1.75 0.82 3.79 -4.23 -1.26 -0.81 115.64 112.20 1rtj s THR 386 Ca 0.37 -0.84 -0.13 0.00 -1.18 0.00 0.00 61.69 59.91 1rtj s THR 386 Cb 0.02 -1.53 0.08 0.00 1.34 0.00 0.00 72.50 72.41 1rtj s THR 386 CO 0.22 0.49 1.13 -0.81 -0.54 0.00 0.00 174.62 175.11 1rtj n PRO 387 N 3.62 0.12 -2.99 3.99 -0.04 -1.26 -4.98 135.00 133.46 1rtj n PRO 387 Ca -0.20 0.12 -0.38 0.00 -0.04 0.00 0.00 63.50 63.00 1rtj n PRO 387 Cb 0.53 -2.38 -0.06 0.00 -0.04 0.00 0.00 33.50 31.55 1rtj n PRO 387 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1rtj s LYS 388 N -4.06 4.44 0.08 0.54 -0.14 -0.75 -4.87 119.74 114.98 1rtj s LYS 388 Ca 0.72 1.07 0.01 0.00 -1.36 0.00 0.00 55.97 56.41 1rtj s LYS 388 Cb -0.29 -3.01 -0.04 0.00 -1.68 0.00 0.00 37.83 32.82 1rtj s LYS 388 CO 0.52 0.44 0.22 -0.06 -0.76 0.00 0.00 175.35 175.71 1rtj s PHE 389 N -1.40 3.49 -0.12 3.18 0.08 -1.00 -1.49 117.98 120.72 1rtj s PHE 389 Ca 0.42 0.21 -0.01 0.00 0.12 0.00 0.00 56.93 57.67 1rtj s PHE 389 Cb -0.20 -1.73 0.03 0.00 -0.57 0.00 0.00 43.02 40.55 1rtj s PHE 389 CO 0.24 0.57 -0.05 0.15 -0.10 0.00 0.00 175.22 176.03 1rtj s LYS 390 N -2.65 1.28 0.02 0.44 -0.14 -0.36 -0.17 119.74 118.16 1rtj s LYS 390 Ca 0.35 -0.23 0.02 0.00 -1.36 0.00 0.00 55.97 54.74 1rtj s LYS 390 Cb -0.13 -1.56 -0.01 0.00 -1.68 0.00 0.00 37.83 34.45 1rtj s LYS 390 CO 0.28 -0.32 -0.06 -0.51 -0.76 0.00 0.00 175.35 173.98 1rtj s LEU 391 N 1.76 2.14 -1.23 3.17 1.43 0.36 -2.62 118.68 123.67 1rtj s LEU 391 Ca 0.04 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.74 1rtj s LEU 391 Cb -0.13 -0.17 -0.07 0.00 0.03 0.00 0.00 46.19 45.85 1rtj s LEU 391 CO -0.07 -0.09 2.50 -0.81 0.23 0.00 0.00 176.35 178.10 1rtj n PRO 392 N 2.17 2.81 -3.70 1.29 -0.04 -1.24 -1.28 135.00 135.01 1rtj n PRO 392 Ca -0.18 -1.79 -0.11 0.00 -0.04 0.00 0.00 63.50 61.38 1rtj n PRO 392 Cb 0.56 -2.61 -0.11 0.00 -0.04 0.00 0.00 33.50 31.31 1rtj n PRO 392 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1rtj s ILE 393 N 2.85 -0.02 0.91 0.52 1.01 -1.26 -0.32 121.20 124.89 1rtj s ILE 393 Ca 0.53 0.08 -0.11 0.00 0.00 0.00 0.00 60.65 61.15 1rtj s ILE 393 Cb 0.14 -0.61 0.14 0.00 0.01 0.00 0.00 42.46 42.13 1rtj s ILE 393 CO -0.05 0.03 1.11 -1.10 0.00 0.00 0.00 174.94 174.93 1rtj s GLN 394 N 1.24 1.11 0.08 2.79 -1.52 -1.26 -4.67 119.66 117.43 1rtj s GLN 394 Ca -0.08 1.21 -0.01 0.00 -1.95 0.00 0.00 55.36 54.53 1rtj s GLN 394 Cb -0.08 -1.76 -0.26 0.00 -0.22 0.00 0.00 33.01 30.69 1rtj s GLN 394 CO -0.11 -2.46 1.16 0.87 -0.25 0.00 0.00 175.29 174.50 1rtj h LYS 395 N -1.73 0.20 -0.46 2.91 1.79 -2.00 -3.13 116.57 114.16 1rtj h LYS 395 Ca -0.47 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 57.66 1rtj h LYS 395 Cb 1.27 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 32.03 1rtj h LYS 395 CO 0.48 1.16 0.29 0.93 -1.08 0.00 0.00 179.45 181.22 1rtj h GLU 396 N 0.05 0.61 -0.26 3.15 3.07 -1.98 -0.64 114.58 118.59 1rtj h GLU 396 Ca -0.11 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.66 1rtj h GLU 396 Cb 1.92 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 29.69 1rtj h GLU 396 CO 0.18 0.42 -0.05 1.15 -1.40 0.00 0.00 179.01 179.32 1rtj h THR 397 N 0.63 1.28 0.43 1.13 2.02 -1.92 0.44 112.91 116.92 1rtj h THR 397 Ca 0.17 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1rtj h THR 397 Cb -0.04 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1rtj h THR 397 CO -0.03 0.33 -0.42 -0.25 0.37 0.00 0.00 175.52 175.52 1rtj h TRP 398 N 0.24 -1.14 0.00 3.16 -0.00 -1.23 -0.90 115.95 116.09 1rtj h TRP 398 Ca 0.07 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.96 1rtj h TRP 398 Cb 0.51 0.44 0.00 0.00 -0.00 0.00 0.00 29.16 30.11 1rtj h TRP 398 CO 0.05 -0.58 0.00 -1.91 -0.00 0.00 0.00 178.44 176.00 1rtj n GLU 399 N -5.51 0.00 -0.23 2.65 4.07 -0.35 -0.70 120.64 120.57 1rtj n GLU 399 Ca -0.11 0.45 0.12 0.00 -0.06 0.00 0.00 57.16 57.57 1rtj n GLU 399 Cb 0.41 -1.06 0.23 0.00 -0.06 0.00 0.00 31.44 30.96 1rtj n GLU 399 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1rtj n THR 400 N -1.13 -0.28 0.04 6.31 -1.04 0.15 -1.98 114.28 116.35 1rtj n THR 400 Ca 0.00 1.44 -0.03 0.00 -2.04 0.00 0.00 64.05 63.42 1rtj n THR 400 Cb 0.00 -2.14 -0.01 0.00 -1.82 0.00 0.00 70.33 66.35 1rtj n THR 400 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1rtj h TRP 401 N 0.00 -0.19 -0.33 -1.42 7.01 -0.02 -3.39 115.95 117.62 1rtj h TRP 401 Ca 0.43 -0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.37 1rtj h TRP 401 Cb 0.96 0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 28.06 1rtj h TRP 401 CO -0.27 -0.12 -0.05 0.11 -2.79 0.00 0.00 178.44 175.32 1rtj h TRP 402 N -1.03 0.55 0.00 2.65 5.08 -0.26 -1.97 115.95 120.97 1rtj h TRP 402 Ca -0.02 -0.07 0.00 0.00 1.08 0.00 0.00 58.89 59.88 1rtj h TRP 402 Cb 0.15 -0.15 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1rtj h TRP 402 CO 0.00 0.57 0.00 1.79 -1.28 0.00 0.00 178.44 179.52 1rtj h THR 403 N 0.49 0.00 0.00 0.12 1.35 -1.61 -2.64 112.91 110.62 1rtj h THR 403 Ca 0.10 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 1rtj h THR 403 Cb 0.39 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1rtj h THR 403 CO 0.02 0.00 -0.43 -0.62 -0.25 0.00 0.00 175.52 174.23 1rtj n GLU 404 N -2.95 4.30 -1.50 4.72 -0.58 -1.16 -5.03 120.64 118.44 1rtj n GLU 404 Ca -0.02 -0.01 -0.36 0.00 -0.42 0.00 0.00 57.16 56.35 1rtj n GLU 404 Cb 0.08 -0.78 0.08 0.00 -0.57 0.00 0.00 31.44 30.26 1rtj n GLU 404 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1rtj n TYR 405 N -1.23 1.23 0.09 -0.32 9.36 -0.75 -4.87 117.16 120.68 1rtj n TYR 405 Ca 0.00 0.41 -0.05 0.00 3.32 0.00 0.00 57.90 61.59 1rtj n TYR 405 Cb 0.06 -2.16 0.12 0.00 -0.63 0.00 0.00 39.34 36.73 1rtj n TYR 405 CO 0.00 0.00 0.00 0.11 0.22 0.00 0.00 176.86 177.19 1rtj h TRP 406 N 0.05 0.30 -3.60 2.98 5.08 -1.90 -3.45 115.95 115.40 1rtj h TRP 406 Ca -0.49 -0.11 -0.50 0.00 1.08 0.00 0.00 58.89 58.87 1rtj h TRP 406 Cb 1.34 -0.05 -0.01 0.00 -3.00 0.00 0.00 29.16 27.43 1rtj h TRP 406 CO 0.41 0.77 0.04 -1.14 -1.28 0.00 0.00 178.44 177.24 1rtj s GLN 407 N -3.76 3.84 0.13 0.12 0.74 -1.26 -5.05 119.66 114.42 1rtj s GLN 407 Ca -0.04 0.45 -0.30 0.00 0.05 0.00 0.00 55.36 55.52 1rtj s GLN 407 Cb 0.12 -2.48 -0.06 0.00 1.10 0.00 0.00 33.01 31.69 1rtj s GLN 407 CO 0.80 0.12 0.95 0.00 -0.55 0.00 0.00 175.29 176.61 1rtj s ALA 408 N -2.11 3.26 0.02 1.58 0.00 -1.26 -5.02 121.76 118.24 1rtj s ALA 408 Ca 0.51 0.57 -0.24 0.00 0.00 0.00 0.00 51.96 52.80 1rtj s ALA 408 Cb -0.10 -3.26 0.05 0.00 0.00 0.00 0.00 23.12 19.81 1rtj s ALA 408 CO 0.25 0.01 0.54 -0.08 0.00 0.00 0.00 175.76 176.48 1rtj s THR 409 N -0.16 0.02 0.15 0.00 -1.32 -1.26 -5.17 115.64 107.90 1rtj s THR 409 Ca 0.46 -0.20 -0.24 0.00 -1.21 0.00 0.00 61.69 60.50 1rtj s THR 409 Cb -0.24 -0.95 0.06 0.00 -1.51 0.00 0.00 72.50 69.87 1rtj s THR 409 CO 0.30 -0.11 0.75 0.86 -2.21 0.00 0.00 174.62 174.21 1rtj s TRP 410 N -2.07 -0.35 -0.06 9.09 -0.00 -1.26 -5.08 118.94 119.21 1rtj s TRP 410 Ca -0.07 0.08 -0.03 0.00 -0.00 0.00 0.00 56.10 56.08 1rtj s TRP 410 Cb -0.01 0.60 0.04 0.00 -0.00 0.00 0.00 33.47 34.10 1rtj s TRP 410 CO 0.01 -0.87 0.14 0.42 -0.00 0.00 0.00 176.95 176.65 1rtj s ILE 411 N -3.58 -0.09 1.11 5.86 1.01 -1.26 -4.91 121.20 119.34 1rtj s ILE 411 Ca 0.06 0.22 -0.13 0.00 0.00 0.00 0.00 60.65 60.80 1rtj s ILE 411 Cb -0.02 -0.24 0.25 0.00 0.01 0.00 0.00 42.46 42.46 1rtj s ILE 411 CO -0.05 0.09 1.05 -2.16 0.00 0.00 0.00 174.94 173.87 1rtj s PRO 412 N 1.39 -0.45 0.04 2.79 0.04 -1.26 -4.87 135.00 132.68 1rtj s PRO 412 Ca -0.07 0.72 -0.25 0.00 0.04 0.00 0.00 61.00 61.44 1rtj s PRO 412 Cb -0.12 -1.62 -0.13 0.00 0.04 0.00 0.00 34.50 32.67 1rtj s PRO 412 CO -0.06 -3.38 0.62 -1.91 0.04 0.00 0.00 177.00 172.32 1rtj n GLU 413 N -4.66 0.00 -3.87 4.56 4.07 -1.26 -4.80 120.64 114.68 1rtj n GLU 413 Ca 0.04 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.06 1rtj n GLU 413 Cb 0.55 -0.92 -0.01 0.00 -0.06 0.00 0.00 31.44 31.00 1rtj n GLU 413 CO 0.00 0.00 0.00 1.67 -0.06 0.00 0.00 177.13 178.74 1rtj s TRP 414 N -0.21 0.03 0.03 4.31 1.48 -1.26 -2.38 118.94 120.94 1rtj s TRP 414 Ca 0.57 -0.53 0.01 0.00 -1.06 0.00 0.00 56.10 55.09 1rtj s TRP 414 Cb -0.80 0.64 -0.02 0.00 -1.16 0.00 0.00 33.47 32.13 1rtj s TRP 414 CO 0.39 -1.30 -0.05 -1.21 -4.06 0.00 0.00 176.95 170.72 1rtj s GLU 415 N -3.43 0.38 -0.24 3.25 2.02 0.76 -4.91 118.70 116.53 1rtj s GLU 415 Ca 0.15 -0.66 -0.26 0.00 0.02 0.00 0.00 54.97 54.22 1rtj s GLU 415 Cb -0.05 -0.02 0.00 0.00 0.10 0.00 0.00 34.13 34.16 1rtj s GLU 415 CO 0.09 -0.02 0.92 0.12 0.02 0.00 0.00 175.26 176.39 1rtj s PHE 416 N -1.43 3.31 -0.33 1.61 5.36 -1.26 -0.49 117.98 124.75 1rtj s PHE 416 Ca -0.14 1.25 -0.12 0.00 -0.96 0.00 0.00 56.93 56.96 1rtj s PHE 416 Cb -0.10 -3.17 -0.02 0.00 -0.34 0.00 0.00 43.02 39.39 1rtj s PHE 416 CO -0.01 -0.46 0.21 0.54 -1.46 0.00 0.00 175.22 174.05 1rtj s VAL 417 N 3.03 5.14 0.00 3.12 0.11 -0.41 -4.81 120.40 126.58 1rtj s VAL 417 Ca 0.39 -0.21 -0.03 0.00 -2.93 0.00 0.00 61.98 59.20 1rtj s VAL 417 Cb -0.15 -3.61 -0.14 0.00 -1.53 0.00 0.00 36.38 30.96 1rtj s VAL 417 CO 0.07 0.04 2.47 -3.20 -3.33 0.00 0.00 175.10 171.16 1rtj n ASN 418 N 5.07 4.14 -4.11 3.54 4.05 -1.26 -3.68 115.26 123.02 1rtj n ASN 418 Ca -0.13 -2.21 -0.34 0.00 0.45 0.00 0.00 54.58 52.34 1rtj n ASN 418 Cb 0.50 -1.03 -0.13 0.00 1.23 0.00 0.00 39.78 40.34 1rtj n ASN 418 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1rtj s THR 419 N 1.08 2.88 0.88 -0.44 -4.23 -1.26 -5.05 115.64 109.50 1rtj s THR 419 Ca 0.34 -1.88 -0.16 0.00 -1.18 0.00 0.00 61.69 58.82 1rtj s THR 419 Cb 0.16 -2.88 -0.07 0.00 1.34 0.00 0.00 72.50 71.05 1rtj s THR 419 CO 0.00 -0.44 -0.12 -2.65 -0.54 0.00 0.00 174.62 170.87 1rtj n PRO 420 N 4.51 -0.04 -2.50 3.99 -0.02 -1.26 -4.65 135.00 135.04 1rtj n PRO 420 Ca -0.05 0.01 -0.41 0.00 -2.02 0.00 0.00 63.50 61.03 1rtj n PRO 420 Cb 0.42 -1.42 -0.04 0.00 -0.02 0.00 0.00 33.50 32.45 1rtj n PRO 420 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1rtj s PRO 421 N -2.55 4.57 0.43 0.52 0.04 -1.26 -4.93 135.00 131.82 1rtj s PRO 421 Ca 0.51 1.73 -0.24 0.00 0.04 0.00 0.00 61.00 63.05 1rtj s PRO 421 Cb -0.25 -3.28 -0.08 0.00 0.04 0.00 0.00 34.50 30.93 1rtj s PRO 421 CO 0.72 0.04 1.13 -0.51 0.04 0.00 0.00 177.00 178.42 1rtj s LEU 422 N -0.25 4.07 -0.08 -3.56 1.43 -1.26 -4.58 118.68 114.45 1rtj s LEU 422 Ca 0.50 2.23 -0.15 0.00 -1.03 0.00 0.00 54.13 55.68 1rtj s LEU 422 Cb -0.30 -4.20 -0.05 0.00 0.03 0.00 0.00 46.19 41.68 1rtj s LEU 422 CO 0.35 -0.76 0.38 0.68 0.23 0.00 0.00 176.35 177.23 1rtj s VAL 423 N -1.56 5.17 0.00 -1.59 -7.23 0.57 -5.02 120.40 110.73 1rtj s VAL 423 Ca 0.61 0.77 0.00 0.00 -1.81 0.00 0.00 61.98 61.55 1rtj s VAL 423 Cb -0.27 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 32.97 1rtj s VAL 423 CO 0.33 0.46 0.00 2.29 -0.31 0.00 0.00 175.10 177.87 1rtj n LYS 424 N 2.81 0.00 -3.15 4.82 0.00 -1.26 -4.53 118.16 116.85 1rtj n LYS 424 Ca -0.12 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 57.75 1rtj n LYS 424 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.49 1rtj n LYS 424 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1rtj s LEU 425 N 0.00 5.11 0.43 -5.58 1.43 -1.26 -4.66 118.68 114.15 1rtj s LEU 425 Ca 0.00 -1.08 0.16 0.00 -1.03 0.00 0.00 54.13 52.18 1rtj s LEU 425 Cb 0.00 -2.40 1.06 0.00 0.03 0.00 0.00 46.19 44.89 1rtj s LEU 425 CO 0.00 -0.96 1.91 -0.50 0.23 0.00 0.00 176.35 177.03 1rtj h TRP 426 N 9.05 0.48 -3.67 0.29 4.06 -1.97 -3.45 115.95 120.75 1rtj h TRP 426 Ca -0.28 0.01 -0.06 0.00 2.06 0.00 0.00 58.89 60.62 1rtj h TRP 426 Cb 1.09 -0.15 -0.10 0.00 -1.00 0.00 0.00 29.16 29.01 1rtj h TRP 426 CO 0.78 0.18 -0.13 1.52 -3.56 0.00 0.00 178.44 177.22 1rtj s TYR 427 N -5.40 0.35 -0.28 0.49 -0.85 -1.26 -4.65 117.35 105.74 1rtj s TYR 427 Ca -0.08 -0.71 0.01 0.00 -0.52 0.00 0.00 57.07 55.78 1rtj s TYR 427 Cb 0.21 0.17 0.16 0.00 0.38 0.00 0.00 41.96 42.88 1rtj s TYR 427 CO 0.77 -0.96 0.42 -0.65 -1.52 0.00 0.00 175.55 173.61 1rtj s GLN 428 N -4.01 0.42 0.38 -3.49 -1.52 -1.26 -5.11 119.66 105.07 1rtj s GLN 428 Ca 0.21 0.23 -0.26 0.00 -1.95 0.00 0.00 55.36 53.59 1rtj s GLN 428 Cb -0.00 -0.28 -0.11 0.00 -0.22 0.00 0.00 33.01 32.39 1rtj s GLN 428 CO 0.08 -0.97 1.12 1.28 -0.25 0.00 0.00 175.29 176.55 1rtj n LEU 429 N 5.36 2.94 -4.64 2.90 4.77 -1.26 -4.72 117.00 122.36 1rtj n LEU 429 Ca 0.00 1.12 -0.30 0.00 -0.03 0.00 0.00 56.01 56.80 1rtj n LEU 429 Cb 0.50 -1.40 0.18 0.00 -2.33 0.00 0.00 43.42 40.37 1rtj n LEU 429 CO -0.01 -1.08 0.63 -1.61 -1.33 0.00 0.00 177.39 174.00 1rtj s GLU 430 N -1.93 0.61 -0.11 3.23 0.41 -0.89 -4.99 118.70 115.03 1rtj s GLU 430 Ca 0.60 1.22 -0.11 0.00 -0.41 0.00 0.00 54.97 56.27 1rtj s GLU 430 Cb -0.58 -1.70 -0.27 0.00 -1.78 0.00 0.00 34.13 29.80 1rtj s GLU 430 CO 0.59 -2.81 0.46 0.87 -0.49 0.00 0.00 175.26 173.88 1rtj h LYS 431 N -1.98 0.26 -5.71 1.61 6.56 -1.93 -3.46 116.57 111.93 1rtj h LYS 431 Ca -0.49 -0.45 -0.63 0.00 -1.06 0.00 0.00 60.65 58.02 1rtj h LYS 431 Cb 1.29 0.17 -0.13 0.00 -0.57 0.00 0.00 32.23 32.98 1rtj h LYS 431 CO 0.47 1.21 -0.62 -1.21 -2.06 0.00 0.00 179.45 177.24 1rtj s GLU 432 N -2.52 1.93 0.57 3.15 0.41 -1.26 -5.11 118.70 115.87 1rtj s GLU 432 Ca -0.21 -2.07 -0.20 0.00 -0.41 0.00 0.00 54.97 52.08 1rtj s GLU 432 Cb 0.06 -1.64 -0.04 0.00 -1.78 0.00 0.00 34.13 30.72 1rtj s GLU 432 CO 0.77 -0.01 1.26 -2.14 -0.49 0.00 0.00 175.26 174.64 1rtj s PRO 433 N -3.69 3.05 -0.11 0.39 0.02 -1.26 -4.87 135.00 128.53 1rtj s PRO 433 Ca 0.35 1.97 -0.25 0.00 0.02 0.00 0.00 61.00 63.08 1rtj s PRO 433 Cb 0.08 -2.06 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 1rtj s PRO 433 CO 0.18 -1.18 0.81 0.42 -0.33 0.00 0.00 177.00 176.89 1rtj s ILE 434 N -1.48 4.94 0.02 2.83 1.01 -1.26 -5.02 121.20 122.24 1rtj s ILE 434 Ca 0.75 1.62 -0.24 0.00 0.00 0.00 0.00 60.65 62.78 1rtj s ILE 434 Cb -0.34 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 1rtj s ILE 434 CO 0.38 0.12 0.74 -0.69 0.00 0.00 0.00 174.94 175.49 1rtj s VAL 435 N 1.52 4.82 0.00 2.92 1.01 -1.26 -3.52 120.40 125.88 1rtj s VAL 435 Ca 0.40 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.94 1rtj s VAL 435 Cb -0.18 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1rtj s VAL 435 CO 0.17 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1rtj n GLY 436 N 2.55 1.44 3.87 4.51 0.00 -1.26 -5.03 105.19 111.27 1rtj n GLY 436 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1rtj n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rtj s ALA 437 N -2.79 3.73 0.81 4.61 0.00 -1.23 -5.05 121.76 121.84 1rtj s ALA 437 Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 51.96 51.45 1rtj s ALA 437 Cb 0.00 -2.26 0.09 0.00 0.00 0.00 0.00 23.12 20.94 1rtj s ALA 437 CO 0.00 0.56 1.19 -2.00 0.00 0.00 0.00 175.76 175.51 1rtj s GLU 438 N -1.80 1.62 -0.22 0.00 2.12 -1.24 -4.63 118.70 114.55 1rtj s GLU 438 Ca 0.31 1.70 0.02 0.00 0.36 0.00 0.00 54.97 57.36 1rtj s GLU 438 Cb -0.14 -1.78 0.05 0.00 0.26 0.00 0.00 34.13 32.52 1rtj s GLU 438 CO 0.17 -2.22 -0.12 0.99 -0.54 0.00 0.00 175.26 173.55 1rtj s THR 439 N -2.23 1.92 -0.41 -1.70 2.01 -1.26 -0.85 115.64 113.11 1rtj s THR 439 Ca 0.72 -1.28 -0.16 0.00 0.31 0.00 0.00 61.69 61.28 1rtj s THR 439 Cb -0.27 -1.98 0.02 0.00 0.01 0.00 0.00 72.50 70.27 1rtj s THR 439 CO 0.51 0.12 0.34 -0.36 -0.69 0.00 0.00 174.62 174.54 1rtj s PHE 440 N 1.26 3.22 -0.39 4.92 0.40 0.69 -2.94 117.98 125.13 1rtj s PHE 440 Ca -0.04 -0.51 -0.27 0.00 -0.60 0.00 0.00 56.93 55.51 1rtj s PHE 440 Cb -0.18 -2.68 0.02 0.00 0.51 0.00 0.00 43.02 40.69 1rtj s PHE 440 CO -0.07 -0.62 1.00 0.71 0.70 0.00 0.00 175.22 176.93 1rtj s TYR 441 N 1.82 3.03 0.27 0.36 1.51 0.09 -1.62 117.35 122.81 1rtj s TYR 441 Ca 0.07 0.80 0.09 0.00 -1.01 0.00 0.00 57.07 57.02 1rtj s TYR 441 Cb -0.18 -3.84 -0.04 0.00 -0.11 0.00 0.00 41.96 37.78 1rtj s TYR 441 CO 0.11 -0.93 0.05 0.14 -1.11 0.00 0.00 175.55 173.82 1rtj s VAL 442 N 3.73 3.57 -0.21 0.71 -7.23 -0.92 -0.33 120.40 119.72 1rtj s VAL 442 Ca 0.41 -1.79 -0.30 0.00 -1.81 0.00 0.00 61.98 58.50 1rtj s VAL 442 Cb -0.11 -2.96 0.15 0.00 0.56 0.00 0.00 36.38 34.02 1rtj s VAL 442 CO 0.21 -0.34 1.12 -0.62 -0.31 0.00 0.00 175.10 175.16 1rtj s ASP 443 N -3.73 -0.26 0.06 4.85 2.15 -0.78 -4.65 116.67 114.32 1rtj s ASP 443 Ca 0.33 0.29 -0.22 0.00 0.43 0.00 0.00 52.55 53.37 1rtj s ASP 443 Cb -0.06 0.22 0.05 0.00 -0.30 0.00 0.00 42.92 42.83 1rtj s ASP 443 CO 0.21 -0.23 0.52 -0.83 -0.17 0.00 0.00 175.17 174.67 1rtj s GLY 444 N -1.04 -0.43 -0.08 2.66 0.00 -1.26 -1.68 107.32 105.50 1rtj s GLY 444 Ca 0.02 0.53 -0.30 0.00 0.00 0.00 0.00 44.72 44.98 1rtj s GLY 444 CO -0.02 0.23 0.91 0.00 0.00 0.00 0.00 173.10 174.22 1rtj s ALA 445 N -2.70 -1.86 0.00 3.20 0.00 -0.89 -4.29 121.76 115.22 1rtj s ALA 445 Ca -0.04 1.29 -0.12 0.00 0.00 0.00 0.00 51.96 53.09 1rtj s ALA 445 Cb -0.00 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1rtj s ALA 445 CO -0.04 -0.49 0.24 0.00 0.00 0.00 0.00 175.76 175.47 1rtj s ALA 446 N -2.06 -0.59 -0.67 0.00 0.00 -1.26 -1.59 121.76 115.59 1rtj s ALA 446 Ca 0.00 0.09 -0.26 0.00 0.00 0.00 0.00 51.96 51.79 1rtj s ALA 446 Cb -0.01 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 1rtj s ALA 446 CO -0.03 -0.27 1.89 1.21 0.00 0.00 0.00 175.76 178.57 1rtj s ASN 447 N -1.48 5.23 0.56 0.00 3.84 -0.48 -4.63 114.94 117.98 1rtj s ASN 447 Ca -0.12 0.13 0.33 0.00 0.21 0.00 0.00 52.86 53.41 1rtj s ASN 447 Cb -0.05 -2.54 1.46 0.00 -0.55 0.00 0.00 41.25 39.58 1rtj s ASN 447 CO 0.02 -2.46 1.77 -0.09 -2.79 0.00 0.00 177.10 173.55 1rtj h ARG 448 N 14.25 0.00 0.07 0.43 2.43 -1.94 0.31 114.38 129.93 1rtj h ARG 448 Ca -0.18 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.67 1rtj h ARG 448 Cb 1.13 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1rtj h ARG 448 CO 1.22 0.00 -1.72 0.39 -1.51 0.00 0.00 179.97 178.34 1rtj n GLU 449 N -3.95 0.68 0.14 0.20 1.02 -1.26 -4.33 120.64 113.14 1rtj n GLU 449 Ca 0.21 0.39 0.12 0.00 -0.02 0.00 0.00 57.16 57.85 1rtj n GLU 449 Cb 1.12 -1.72 0.17 0.00 -0.02 0.00 0.00 31.44 31.00 1rtj n GLU 449 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1rtj h THR 450 N -0.37 0.00 -1.40 2.62 1.35 -1.88 -3.48 112.91 109.74 1rtj h THR 450 Ca -0.40 -0.80 -0.29 0.00 -0.55 0.00 0.00 66.41 64.37 1rtj h THR 450 Cb 1.74 1.59 -0.06 0.00 -1.73 0.00 0.00 68.15 69.69 1rtj h THR 450 CO -0.04 0.00 -0.32 0.29 -0.25 0.00 0.00 175.52 175.20 1rtj n LYS 451 N -2.64 -1.06 -4.19 4.72 5.02 0.11 -4.74 118.16 115.38 1rtj n LYS 451 Ca 0.03 0.83 -0.35 0.00 -2.02 0.00 0.00 58.31 56.80 1rtj n LYS 451 Cb 0.50 -5.03 -0.08 0.00 -0.02 0.00 0.00 35.03 30.40 1rtj n LYS 451 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rtj s LEU 452 N -3.68 3.85 0.00 -0.35 2.01 -1.25 -0.84 118.68 118.41 1rtj s LEU 452 Ca 0.00 0.21 -0.07 0.00 0.01 0.00 0.00 54.13 54.28 1rtj s LEU 452 Cb 0.00 -2.00 0.03 0.00 0.01 0.00 0.00 46.19 44.23 1rtj s LEU 452 CO 0.00 0.35 0.39 0.61 1.01 0.00 0.00 176.35 178.71 1rtj n GLY 453 N 1.82 1.48 3.25 -3.19 0.00 -0.27 -1.38 105.19 106.90 1rtj n GLY 453 Ca -0.17 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 1rtj n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rtj s LYS 454 N -2.04 1.29 -0.06 1.61 1.02 -0.62 0.20 119.74 121.14 1rtj s LYS 454 Ca 0.08 -1.64 -0.31 0.00 0.02 0.00 0.00 55.97 54.13 1rtj s LYS 454 Cb -0.02 0.30 0.07 0.00 -0.52 0.00 0.00 37.83 37.65 1rtj s LYS 454 CO 0.06 -0.44 0.68 0.00 -0.92 0.00 0.00 175.35 174.72 1rtj s ALA 455 N -4.06 -1.77 0.00 5.17 0.00 -0.32 -2.09 121.76 118.69 1rtj s ALA 455 Ca 0.38 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1rtj s ALA 455 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1rtj s ALA 455 CO 0.13 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1rtj n GLY 456 N 0.96 -0.87 1.33 0.00 0.00 -0.68 -0.52 105.19 105.43 1rtj n GLY 456 Ca -0.19 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 44.90 1rtj n GLY 456 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1rtj n TYR 457 N 3.96 -1.40 -3.66 1.61 0.18 -0.93 -1.86 117.16 115.06 1rtj n TYR 457 Ca 0.00 -0.69 -0.14 0.00 1.88 0.00 0.00 57.90 58.95 1rtj n TYR 457 Cb 0.00 0.32 -0.08 0.00 -0.38 0.00 0.00 39.34 39.20 1rtj n TYR 457 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1rtj s VAL 458 N -2.66 0.00 0.25 -3.48 1.01 0.55 -3.24 120.40 112.82 1rtj s VAL 458 Ca 0.06 -0.00 0.11 0.00 0.00 0.00 0.00 61.98 62.16 1rtj s VAL 458 Cb -0.02 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 1rtj s VAL 458 CO 0.05 -0.00 -0.19 0.42 0.00 0.00 0.00 175.10 175.38 1rtj s THR 459 N 0.32 2.58 -0.75 3.92 -4.23 -0.98 -0.73 115.64 115.77 1rtj s THR 459 Ca -0.00 -2.20 0.09 0.00 -1.18 0.00 0.00 61.69 58.40 1rtj s THR 459 Cb -0.04 -2.32 0.09 0.00 1.34 0.00 0.00 72.50 71.57 1rtj s THR 459 CO 0.01 -0.30 1.28 -0.46 -0.54 0.00 0.00 174.62 174.62 1rtj n ASN 460 N -0.34 0.20 -0.38 3.99 6.94 -1.15 -1.65 115.26 122.87 1rtj n ASN 460 Ca -0.08 0.58 0.04 0.00 -0.02 0.00 0.00 54.58 55.10 1rtj n ASN 460 Cb 0.58 -0.61 0.07 0.00 -2.36 0.00 0.00 39.78 37.47 1rtj n ASN 460 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 1rtj n ARG 461 N -1.76 1.75 0.00 -3.83 1.85 -1.26 -5.02 116.66 108.39 1rtj n ARG 461 Ca 0.00 -1.50 0.00 0.00 -1.00 0.00 0.00 57.85 55.35 1rtj n ARG 461 Cb 0.04 -1.17 0.00 0.00 -1.05 0.00 0.00 32.46 30.29 1rtj n ARG 461 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1rtj n GLY 462 N 0.28 3.14 3.45 2.89 0.00 -0.66 -5.10 105.19 109.20 1rtj n GLY 462 Ca 0.06 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 1rtj n GLY 462 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rtj n ARG 463 N 0.00 -0.22 -3.56 1.61 0.63 -1.26 -4.72 116.66 109.14 1rtj n ARG 463 Ca 0.00 -0.02 -0.06 0.00 -0.92 0.00 0.00 57.85 56.85 1rtj n ARG 463 Cb 0.00 -1.92 -0.02 0.00 0.45 0.00 0.00 32.46 30.97 1rtj n ARG 463 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1rtj s GLN 464 N -3.64 0.55 0.02 -0.14 -2.07 -1.26 -2.31 119.66 110.81 1rtj s GLN 464 Ca 0.59 -0.21 -0.28 0.00 -1.82 0.00 0.00 55.36 53.64 1rtj s GLN 464 Cb -0.23 0.25 0.10 0.00 -1.09 0.00 0.00 33.01 32.03 1rtj s GLN 464 CO 0.65 -0.24 0.96 0.21 -1.32 0.00 0.00 175.29 175.55 1rtj s LYS 465 N -2.74 0.84 -0.17 9.60 2.20 -1.20 -4.99 119.74 123.29 1rtj s LYS 465 Ca 0.08 -0.37 -0.29 0.00 -0.36 0.00 0.00 55.97 55.03 1rtj s LYS 465 Cb -0.01 0.35 0.10 0.00 -1.51 0.00 0.00 37.83 36.76 1rtj s LYS 465 CO -0.06 -0.38 0.88 0.54 -0.36 0.00 0.00 175.35 175.97 1rtj s VAL 466 N -3.05 0.00 0.05 4.02 0.11 -1.26 -2.19 120.40 118.07 1rtj s VAL 466 Ca 0.08 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.14 1rtj s VAL 466 Cb -0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 1rtj s VAL 466 CO -0.05 0.00 -0.05 -0.69 -3.33 0.00 0.00 175.10 170.97 1rtj s VAL 467 N -0.69 0.38 -0.21 2.04 1.01 0.33 -4.96 120.40 118.30 1rtj s VAL 467 Ca -0.03 -1.31 -0.02 0.00 0.00 0.00 0.00 61.98 60.62 1rtj s VAL 467 Cb -0.02 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.52 1rtj s VAL 467 CO 0.02 -0.61 -0.09 0.42 0.00 0.00 0.00 175.10 174.84 1rtj s THR 468 N -2.24 2.86 0.25 3.92 -4.23 -1.26 -1.17 115.64 113.76 1rtj s THR 468 Ca -0.05 -0.74 -0.11 0.00 -1.18 0.00 0.00 61.69 59.61 1rtj s THR 468 Cb -0.04 -2.31 -0.08 0.00 1.34 0.00 0.00 72.50 71.41 1rtj s THR 468 CO -0.03 0.41 0.58 -0.76 -0.54 0.00 0.00 174.62 174.29 1rtj s LEU 469 N 1.39 4.15 0.04 4.79 1.43 0.52 -4.92 118.68 126.08 1rtj s LEU 469 Ca 0.04 0.99 0.08 0.00 -1.03 0.00 0.00 54.13 54.21 1rtj s LEU 469 Cb -0.14 -3.75 -0.02 0.00 0.03 0.00 0.00 46.19 42.30 1rtj s LEU 469 CO -0.07 -0.09 -0.22 -0.89 0.23 0.00 0.00 176.35 175.31 1rtj s THR 470 N -1.84 1.77 -1.50 5.49 2.01 -1.26 -1.11 115.64 119.19 1rtj s THR 470 Ca 0.48 -1.21 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 1rtj s THR 470 Cb -0.11 -1.52 0.03 0.00 0.01 0.00 0.00 72.50 70.90 1rtj s THR 470 CO 0.20 0.27 0.34 -0.67 -0.69 0.00 0.00 174.62 174.08 1rtj n ASP 471 N 1.91 -0.33 -2.95 3.53 2.03 -0.31 -4.96 116.55 115.48 1rtj n ASP 471 Ca -0.17 -1.09 -0.10 0.00 0.52 0.00 0.00 54.79 53.95 1rtj n ASP 471 Cb 0.53 -2.55 -0.01 0.00 -0.72 0.00 0.00 41.12 38.36 1rtj n ASP 471 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1rtj n THR 472 N -4.44 0.00 -3.99 5.18 5.66 -0.02 -5.05 114.28 111.61 1rtj n THR 472 Ca -0.26 -0.79 -0.09 0.00 -3.05 0.00 0.00 64.05 59.86 1rtj n THR 472 Cb 0.66 -0.08 -0.10 0.00 -1.55 0.00 0.00 70.33 69.25 1rtj n THR 472 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1rtj s THR 473 N -1.29 0.14 0.30 1.09 -4.23 -1.26 -4.61 115.64 105.78 1rtj s THR 473 Ca 0.05 -1.13 0.05 0.00 -1.18 0.00 0.00 61.69 59.48 1rtj s THR 473 Cb -0.00 -0.66 0.29 0.00 1.34 0.00 0.00 72.50 73.47 1rtj s THR 473 CO 0.03 -0.62 1.79 -1.13 -0.54 0.00 0.00 174.62 174.15 1rtj h ASN 474 N 4.12 0.82 0.27 3.99 -1.24 -1.92 -0.86 115.58 120.76 1rtj h ASN 474 Ca -0.32 0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.77 1rtj h ASN 474 Cb 1.19 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 40.16 1rtj h ASN 474 CO 0.48 0.33 -0.25 -0.61 -1.29 0.00 0.00 177.43 176.09 1rtj h GLN 475 N 0.82 -0.53 -0.74 6.67 4.15 -1.96 -1.43 115.11 122.09 1rtj h GLN 475 Ca 0.56 0.04 0.05 0.00 0.77 0.00 0.00 58.65 60.07 1rtj h GLN 475 Cb 0.80 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.56 1rtj h GLN 475 CO -0.35 -0.35 0.49 0.87 -1.93 0.00 0.00 178.83 177.55 1rtj h LYS 476 N -0.55 0.81 -0.22 1.69 1.57 -1.61 -0.15 116.57 118.11 1rtj h LYS 476 Ca -0.01 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1rtj h LYS 476 Cb 0.50 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1rtj h LYS 476 CO -0.04 0.53 -0.06 1.79 -0.57 0.00 0.00 179.45 181.11 1rtj h THR 477 N 0.83 1.29 -0.74 -0.16 1.35 -0.99 0.62 112.91 115.10 1rtj h THR 477 Ca 0.31 -1.05 0.08 0.00 -0.55 0.00 0.00 66.41 65.20 1rtj h THR 477 Cb 0.16 1.52 -0.07 0.00 -1.73 0.00 0.00 68.15 68.04 1rtj h THR 477 CO -0.10 0.32 0.40 -0.33 -0.25 0.00 0.00 175.52 175.57 1rtj h GLU 478 N 0.16 0.68 0.15 4.72 5.08 -0.71 0.17 114.58 124.83 1rtj h GLU 478 Ca 0.06 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1rtj h GLU 478 Cb 0.51 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1rtj h GLU 478 CO 0.02 0.45 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.34 1rtj h LEU 479 N 0.70 -0.17 -1.86 1.33 3.38 -0.73 -3.03 115.31 114.93 1rtj h LEU 479 Ca 0.35 -0.32 0.16 0.00 0.09 0.00 0.00 57.88 58.16 1rtj h LEU 479 Cb 0.32 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1rtj h LEU 479 CO -0.24 0.27 0.44 -0.61 0.09 0.00 0.00 178.44 178.39 1rtj h GLN 480 N -0.66 0.14 -0.40 1.13 5.75 0.76 0.55 115.11 122.39 1rtj h GLN 480 Ca -0.02 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.52 1rtj h GLN 480 Cb 0.49 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.96 1rtj h GLN 480 CO 0.03 0.09 0.14 0.00 -2.65 0.00 0.00 178.83 176.44 1rtj h ALA 481 N 1.69 0.47 -0.07 3.38 0.00 -0.56 0.16 119.26 124.32 1rtj h ALA 481 Ca 0.30 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 1rtj h ALA 481 Cb 1.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1rtj h ALA 481 CO -0.04 -0.25 -0.55 0.82 0.00 0.00 0.00 179.25 179.22 1rtj h ILE 482 N 0.29 1.37 0.58 0.00 2.04 0.10 -2.90 117.51 119.00 1rtj h ILE 482 Ca 0.18 -1.87 -0.03 0.00 1.00 0.00 0.00 64.86 64.14 1rtj h ILE 482 Cb 0.17 1.93 0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1rtj h ILE 482 CO -0.19 0.55 -0.28 0.22 0.00 0.00 0.00 178.15 178.45 1rtj h TYR 483 N 0.16 -0.72 -0.64 1.37 3.20 0.11 -1.39 116.97 119.06 1rtj h TYR 483 Ca -0.00 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.93 1rtj h TYR 483 Cb 1.03 0.24 -0.04 0.00 1.54 0.00 0.00 36.73 39.50 1rtj h TYR 483 CO 0.02 -0.45 0.42 -0.07 -1.64 0.00 0.00 178.16 176.44 1rtj h LEU 484 N -0.78 0.52 -1.05 2.82 3.38 -0.73 0.23 115.31 119.70 1rtj h LEU 484 Ca -0.08 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1rtj h LEU 484 Cb 0.60 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1rtj h LEU 484 CO 0.13 0.33 -0.23 0.00 0.09 0.00 0.00 178.44 178.76 1rtj h ALA 485 N 1.66 1.20 -0.10 1.53 0.00 -1.27 0.15 119.26 122.43 1rtj h ALA 485 Ca 0.28 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1rtj h ALA 485 Cb 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rtj h ALA 485 CO -0.09 0.52 -0.27 -0.07 0.00 0.00 0.00 179.25 179.34 1rtj h LEU 486 N 0.36 0.40 -0.51 0.00 3.38 0.41 -2.83 115.31 116.52 1rtj h LEU 486 Ca 0.06 -0.59 0.01 0.00 0.09 0.00 0.00 57.88 57.45 1rtj h LEU 486 Cb 0.60 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1rtj h LEU 486 CO 0.04 0.93 0.33 1.56 0.09 0.00 0.00 178.44 181.39 1rtj h GLN 487 N -0.10 0.64 -0.16 1.13 4.20 -0.31 -3.22 115.11 117.30 1rtj h GLN 487 Ca -0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1rtj h GLN 487 Cb 0.88 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1rtj h GLN 487 CO 0.06 0.43 0.00 -0.25 -0.67 0.00 0.00 178.83 178.39 1rtj n ASP 488 N -4.75 1.71 -5.00 1.46 8.00 0.48 -4.95 116.55 113.49 1rtj n ASP 488 Ca 0.03 -1.71 -0.19 0.00 0.71 0.00 0.00 54.79 53.63 1rtj n ASP 488 Cb 0.04 -0.10 0.03 0.00 -0.02 0.00 0.00 41.12 41.06 1rtj n ASP 488 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1rtj s SER 489 N -1.59 5.33 0.00 -2.24 1.04 -1.07 -5.06 113.70 110.10 1rtj s SER 489 Ca 0.33 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1rtj s SER 489 Cb 0.18 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1rtj s SER 489 CO 0.27 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 174.10 1rtj n GLY 490 N -1.97 -0.24 0.12 7.32 0.00 -1.26 -4.96 105.19 104.19 1rtj n GLY 490 Ca 0.10 -1.49 -0.00 0.00 0.00 0.00 0.00 46.02 44.62 1rtj n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rtj h LEU 491 N 0.00 0.00 -8.30 0.99 3.38 -1.95 -3.42 115.31 106.01 1rtj h LEU 491 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 1rtj h LEU 491 Cb 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.45 1rtj h LEU 491 CO 0.00 0.66 -0.75 -1.61 0.09 0.00 0.00 178.44 176.83 1rtj s GLU 492 N -2.91 3.23 0.09 1.13 2.02 -1.26 -2.31 118.70 118.69 1rtj s GLU 492 Ca 0.03 -0.71 0.06 0.00 0.02 0.00 0.00 54.97 54.36 1rtj s GLU 492 Cb 0.09 -2.93 -0.03 0.00 0.10 0.00 0.00 34.13 31.35 1rtj s GLU 492 CO 0.77 -0.23 -0.14 0.08 0.02 0.00 0.00 175.26 175.75 1rtj s VAL 493 N 1.43 1.22 -0.13 2.63 1.01 -1.15 -3.72 120.40 121.69 1rtj s VAL 493 Ca 0.05 -1.47 0.02 0.00 0.00 0.00 0.00 61.98 60.58 1rtj s VAL 493 Cb -0.14 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1rtj s VAL 493 CO -0.05 -0.29 -0.21 0.20 0.00 0.00 0.00 175.10 174.75 1rtj s ASN 494 N -2.01 3.01 0.01 3.32 0.01 -0.03 -2.26 114.94 116.98 1rtj s ASN 494 Ca 0.03 -0.58 0.06 0.00 -0.71 0.00 0.00 52.86 51.66 1rtj s ASN 494 Cb -0.08 -1.39 -0.02 0.00 0.41 0.00 0.00 41.25 40.17 1rtj s ASN 494 CO 0.03 0.07 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.86 1rtj s ILE 495 N 0.82 1.54 -0.08 0.60 1.01 -0.67 -0.23 121.20 124.21 1rtj s ILE 495 Ca -0.07 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.64 1rtj s ILE 495 Cb -0.16 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.02 1rtj s ILE 495 CO -0.01 0.33 -0.13 0.68 0.00 0.00 0.00 174.94 175.81 1rtj s VAL 496 N -0.59 1.22 0.12 2.92 -7.23 -0.64 -1.27 120.40 114.92 1rtj s VAL 496 Ca 0.07 -0.51 -0.01 0.00 -1.81 0.00 0.00 61.98 59.72 1rtj s VAL 496 Cb -0.08 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 1rtj s VAL 496 CO 0.00 0.38 0.04 0.28 -0.31 0.00 0.00 175.10 175.49 1rtj s THR 497 N 0.76 0.15 -0.16 5.32 -1.32 -0.57 -2.16 115.64 117.67 1rtj s THR 497 Ca -0.13 -1.90 0.14 0.00 -1.21 0.00 0.00 61.69 58.60 1rtj s THR 497 Cb -0.16 -1.95 0.36 0.00 -1.51 0.00 0.00 72.50 69.24 1rtj s THR 497 CO 0.03 -0.56 1.18 -0.90 -2.21 0.00 0.00 174.62 172.16 1rtj n ASP 498 N -0.06 1.77 -4.67 8.08 5.68 -1.24 -0.07 116.55 126.03 1rtj n ASP 498 Ca -0.07 -3.39 -0.40 0.00 -0.50 0.00 0.00 54.79 50.43 1rtj n ASP 498 Cb 0.63 -0.46 -0.06 0.00 -1.14 0.00 0.00 41.12 40.09 1rtj n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1rtj s SER 499 N -2.91 6.71 0.39 -1.12 0.15 -1.26 -4.67 113.70 110.99 1rtj s SER 499 Ca 0.34 0.86 0.16 0.00 0.70 0.00 0.00 55.95 58.01 1rtj s SER 499 Cb 0.32 -2.35 0.81 0.00 -1.71 0.00 0.00 66.02 63.09 1rtj s SER 499 CO -0.04 -0.25 1.84 1.56 1.20 0.00 0.00 173.24 177.55 1rtj h GLN 500 N 7.39 0.00 0.00 5.44 4.20 -1.95 -1.62 115.11 128.57 1rtj h GLN 500 Ca -0.33 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 1rtj h GLN 500 Cb 1.15 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.92 1rtj h GLN 500 CO 0.77 0.34 -0.11 -0.92 -0.67 0.00 0.00 178.83 178.24 1rtj h TYR 501 N 0.00 0.00 0.00 2.96 5.03 -2.00 0.80 116.97 123.77 1rtj h TYR 501 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1rtj h TYR 501 Cb 0.66 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.94 1rtj h TYR 501 CO 0.00 0.11 0.00 0.00 -1.32 0.00 0.00 178.16 176.95 1rtj h ALA 502 N 1.89 1.00 -0.19 1.82 0.00 -1.70 -1.79 119.26 120.28 1rtj h ALA 502 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1rtj h ALA 502 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1rtj h ALA 502 CO 0.01 0.00 -0.33 1.25 0.00 0.00 0.00 179.25 180.19 1rtj h LEU 503 N 0.00 0.62 0.08 0.00 5.85 0.81 -3.00 115.31 119.68 1rtj h LEU 503 Ca 0.00 -0.53 -0.00 0.00 0.84 0.00 0.00 57.88 58.18 1rtj h LEU 503 Cb 0.69 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1rtj h LEU 503 CO 0.00 1.04 -0.06 1.23 -0.34 0.00 0.00 178.44 180.30 1rtj h GLY 504 N 0.23 -0.62 -0.92 3.75 0.00 -0.69 -2.78 103.07 102.04 1rtj h GLY 504 Ca 0.01 0.27 0.27 0.00 0.00 0.00 0.00 47.33 47.88 1rtj h GLY 504 CO 0.07 -0.23 1.17 1.39 0.00 0.00 0.00 176.54 178.95 1rtj n ILE 505 N -2.62 0.00 0.07 2.60 5.41 -0.75 0.15 119.36 124.22 1rtj n ILE 505 Ca -0.02 1.20 -0.20 0.00 1.00 0.00 0.00 62.75 64.72 1rtj n ILE 505 Cb 0.06 -2.16 -0.15 0.00 -0.71 0.00 0.00 39.64 36.68 1rtj n ILE 505 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1rtj h ILE 506 N 0.00 1.05 0.37 1.39 2.04 -1.35 -1.51 117.51 119.50 1rtj h ILE 506 Ca 0.44 -2.65 -0.02 0.00 1.00 0.00 0.00 64.86 63.63 1rtj h ILE 506 Cb 2.77 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 41.63 1rtj h ILE 506 CO -0.00 0.84 -0.18 -0.61 0.00 0.00 0.00 178.15 178.19 1rtj h GLN 507 N 0.09 -0.48 -0.01 2.37 4.15 0.17 -3.36 115.11 118.04 1rtj h GLN 507 Ca -0.30 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.16 1rtj h GLN 507 Cb 2.07 0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.87 1rtj h GLN 507 CO 0.18 -0.32 -0.05 0.00 -1.93 0.00 0.00 178.83 176.70 1rtj n ALA 508 N -2.49 2.70 -3.16 3.38 0.00 -0.32 -4.74 120.51 115.87 1rtj n ALA 508 Ca -0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 53.44 53.04 1rtj n ALA 508 Cb 0.20 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1rtj n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rtj n GLN 509 N -0.63 -0.54 -0.50 0.00 6.02 -0.57 -4.84 117.38 116.32 1rtj n GLN 509 Ca 0.18 -0.19 -0.29 0.00 -0.01 0.00 0.00 57.00 56.69 1rtj n GLN 509 Cb 0.26 0.20 0.23 0.00 1.02 0.00 0.00 30.24 31.95 1rtj n GLN 509 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1rtj n PRO 510 N -0.99 -2.66 0.00 -1.09 -0.04 -1.26 -4.89 135.00 124.08 1rtj n PRO 510 Ca -0.02 -0.76 0.00 0.00 -0.04 0.00 0.00 63.50 62.68 1rtj n PRO 510 Cb 0.06 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1rtj n PRO 510 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1rtj n ASP 511 N -3.66 0.00 -3.61 3.54 5.68 -0.06 -4.93 116.55 113.51 1rtj n ASP 511 Ca 0.04 -1.00 -0.13 0.00 -0.50 0.00 0.00 54.79 53.20 1rtj n ASP 511 Cb 0.56 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.47 1rtj n ASP 511 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rtj s GLN 512 N 0.00 0.75 0.00 0.11 -2.07 -1.25 -4.92 119.66 112.27 1rtj s GLN 512 Ca 0.00 0.63 0.00 0.00 -1.82 0.00 0.00 55.36 54.17 1rtj s GLN 512 Cb 0.00 0.36 0.00 0.00 -1.09 0.00 0.00 33.01 32.28 1rtj s GLN 512 CO 0.00 -0.14 0.00 0.43 -1.32 0.00 0.00 175.29 174.26 1rtj n SER 513 N 1.96 0.00 -0.08 12.60 7.64 -1.26 -1.62 113.62 132.86 1rtj n SER 513 Ca -0.14 -0.96 -0.07 0.00 1.01 0.00 0.00 58.87 58.72 1rtj n SER 513 Cb 0.56 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.60 1rtj n SER 513 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1rtj n GLU 514 N 0.00 0.68 -2.99 1.43 2.13 -1.20 -4.83 120.64 115.86 1rtj n GLU 514 Ca 0.00 -0.02 -0.41 0.00 0.66 0.00 0.00 57.16 57.40 1rtj n GLU 514 Cb 0.00 -1.54 -0.05 0.00 0.27 0.00 0.00 31.44 30.12 1rtj n GLU 514 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1rtj s SER 515 N -5.39 6.85 0.21 4.31 0.15 -1.26 -4.93 113.70 113.63 1rtj s SER 515 Ca -0.09 1.04 -0.10 0.00 0.70 0.00 0.00 55.95 57.50 1rtj s SER 515 Cb 0.07 -2.41 0.24 0.00 -1.71 0.00 0.00 66.02 62.22 1rtj s SER 515 CO 0.84 -0.33 1.79 -0.08 1.20 0.00 0.00 173.24 176.66 1rtj h GLU 516 N 7.36 0.57 -0.14 5.44 4.57 -1.99 -0.43 114.58 129.95 1rtj h GLU 516 Ca -0.31 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 57.85 1rtj h GLU 516 Cb 1.14 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.59 1rtj h GLU 516 CO 0.81 0.37 0.04 1.25 -1.18 0.00 0.00 179.01 180.30 1rtj h LEU 517 N 0.58 0.03 -1.18 1.64 6.46 -1.99 0.40 115.31 121.25 1rtj h LEU 517 Ca 0.29 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 58.13 1rtj h LEU 517 Cb 0.24 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.14 1rtj h LEU 517 CO -0.21 0.04 0.57 0.58 -0.62 0.00 0.00 178.44 178.79 1rtj h VAL 518 N 0.10 1.09 -0.84 1.05 2.07 -1.82 -0.19 116.25 117.70 1rtj h VAL 518 Ca 0.06 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.25 1rtj h VAL 518 Cb 0.04 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 29.75 1rtj h VAL 518 CO -0.07 0.18 0.55 0.78 0.02 0.00 0.00 177.57 179.04 1rtj h ASN 519 N 1.01 0.94 -0.27 0.57 2.35 0.65 0.31 115.58 121.13 1rtj h ASN 519 Ca 0.36 -0.02 0.04 0.00 -0.55 0.00 0.00 56.30 56.14 1rtj h ASN 519 Cb 0.15 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 1rtj h ASN 519 CO -0.13 0.66 0.05 1.56 -1.65 0.00 0.00 177.43 177.92 1rtj h GLN 520 N 1.10 0.14 -0.98 0.81 1.08 0.50 0.27 115.11 118.03 1rtj h GLN 520 Ca 0.32 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.51 1rtj h GLN 520 Cb -0.08 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.27 1rtj h GLN 520 CO -0.09 0.09 0.63 0.82 -0.95 0.00 0.00 178.83 179.34 1rtj h ILE 521 N 0.14 1.26 -0.48 2.54 2.04 0.13 0.38 117.51 123.52 1rtj h ILE 521 Ca 0.13 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 1rtj h ILE 521 Cb 0.14 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.03 1rtj h ILE 521 CO -0.17 0.26 0.16 0.40 0.00 0.00 0.00 178.15 178.79 1rtj h ILE 522 N 1.34 1.22 0.04 -0.67 2.04 0.12 0.22 117.51 121.82 1rtj h ILE 522 Ca 0.36 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.52 1rtj h ILE 522 Cb -0.12 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1rtj h ILE 522 CO -0.07 0.26 -0.42 -0.33 0.00 0.00 0.00 178.15 177.59 1rtj h GLU 523 N 0.63 -0.58 -0.95 2.37 4.39 0.71 0.10 114.58 121.25 1rtj h GLU 523 Ca 0.15 0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.96 1rtj h GLU 523 Cb 0.25 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.96 1rtj h GLU 523 CO -0.01 -0.38 0.61 1.96 -1.16 0.00 0.00 179.01 180.02 1rtj h GLN 524 N -0.60 1.06 -0.81 2.33 1.08 -0.06 -2.59 115.11 115.52 1rtj h GLN 524 Ca 0.04 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.21 1rtj h GLN 524 Cb 0.66 -0.24 -0.05 0.00 -0.05 0.00 0.00 27.48 27.80 1rtj h GLN 524 CO -0.29 0.70 0.52 -0.07 -0.95 0.00 0.00 178.83 178.74 1rtj h LEU 525 N 1.09 0.85 -0.81 1.46 3.38 0.73 -1.96 115.31 120.05 1rtj h LEU 525 Ca 0.42 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.30 1rtj h LEU 525 Cb 0.19 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1rtj h LEU 525 CO -0.18 0.59 -0.03 0.40 0.09 0.00 0.00 178.44 179.30 1rtj h ILE 526 N 1.00 1.25 0.00 1.22 2.04 -0.49 -3.12 117.51 119.41 1rtj h ILE 526 Ca 0.33 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1rtj h ILE 526 Cb 0.02 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1rtj h ILE 526 CO -0.12 0.39 0.00 0.29 0.00 0.00 0.00 178.15 178.71 1rtj n LYS 527 N -4.19 0.10 -4.05 2.37 5.02 -0.74 -4.78 118.16 111.90 1rtj n LYS 527 Ca 0.02 0.53 -0.22 0.00 -2.02 0.00 0.00 58.31 56.62 1rtj n LYS 527 Cb 0.33 -1.78 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 1rtj n LYS 527 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1rtj s LYS 528 N -3.31 3.14 0.10 1.97 -0.14 -1.18 -5.01 119.74 115.30 1rtj s LYS 528 Ca 0.00 -0.91 0.06 0.00 -1.36 0.00 0.00 55.97 53.76 1rtj s LYS 528 Cb 0.06 -2.71 -0.22 0.00 -1.68 0.00 0.00 37.83 33.27 1rtj s LYS 528 CO 0.19 0.42 1.20 0.93 -0.76 0.00 0.00 175.35 177.33 1rtj h GLU 529 N 1.47 0.04 -2.35 1.68 5.08 -1.76 -3.46 114.58 115.28 1rtj h GLU 529 Ca -0.50 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 57.75 1rtj h GLU 529 Cb 1.23 0.02 -0.24 0.00 0.50 0.00 0.00 28.75 30.26 1rtj h GLU 529 CO 0.61 0.98 -0.19 0.15 -1.00 0.00 0.00 179.01 179.57 1rtj s LYS 530 N -2.69 0.51 -0.08 2.33 1.02 -1.12 -5.02 119.74 114.68 1rtj s LYS 530 Ca -0.00 1.03 -0.03 0.00 0.02 0.00 0.00 55.97 56.99 1rtj s LYS 530 Cb 0.09 0.17 0.04 0.00 -0.52 0.00 0.00 37.83 37.61 1rtj s LYS 530 CO 0.83 -0.17 0.12 0.08 -0.92 0.00 0.00 175.35 175.29 1rtj s VAL 531 N 1.80 -0.20 -0.23 3.17 1.01 -1.26 -2.91 120.40 121.78 1rtj s VAL 531 Ca -0.08 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.17 1rtj s VAL 531 Cb -0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 1rtj s VAL 531 CO -0.16 0.12 0.02 -0.47 0.00 0.00 0.00 175.10 174.62 1rtj s TYR 532 N 2.24 3.04 -0.28 5.22 5.04 -0.96 -2.08 117.35 129.57 1rtj s TYR 532 Ca 0.04 -0.58 -0.10 0.00 -2.44 0.00 0.00 57.07 53.98 1rtj s TYR 532 Cb -0.12 -2.17 -0.05 0.00 0.35 0.00 0.00 41.96 39.97 1rtj s TYR 532 CO -0.05 -0.39 0.17 -0.51 -1.34 0.00 0.00 175.55 173.43 1rtj s LEU 533 N 1.44 3.95 -0.10 6.97 1.02 -1.26 -1.66 118.68 129.03 1rtj s LEU 533 Ca 0.05 -0.06 0.02 0.00 0.02 0.00 0.00 54.13 54.16 1rtj s LEU 533 Cb -0.15 -2.09 -0.01 0.00 0.02 0.00 0.00 46.19 43.96 1rtj s LEU 533 CO 0.01 -0.05 -0.16 0.00 0.02 0.00 0.00 176.35 176.16 1rtj s ALA 534 N 1.74 2.50 0.03 4.21 0.00 -0.40 -5.00 121.76 124.84 1rtj s ALA 534 Ca 0.07 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.12 1rtj s ALA 534 Cb -0.16 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1rtj s ALA 534 CO 0.10 0.33 -0.01 -0.46 0.00 0.00 0.00 175.76 175.71 1rtj s TRP 535 N 0.11 3.01 0.01 0.00 -0.00 -1.26 -1.51 118.94 119.30 1rtj s TRP 535 Ca -0.08 0.02 -0.04 0.00 -0.00 0.00 0.00 56.10 56.00 1rtj s TRP 535 Cb -0.15 -1.61 -0.01 0.00 -0.00 0.00 0.00 33.47 31.70 1rtj s TRP 535 CO 0.05 0.45 0.07 0.14 -0.00 0.00 0.00 176.95 177.66 1rtj s VAL 536 N -1.15 0.09 0.56 5.86 -7.23 0.90 -4.92 120.40 114.50 1rtj s VAL 536 Ca 0.21 -0.73 -0.19 0.00 -1.81 0.00 0.00 61.98 59.47 1rtj s VAL 536 Cb -0.12 -0.34 -0.05 0.00 0.56 0.00 0.00 36.38 36.43 1rtj s VAL 536 CO 0.13 -0.40 1.12 -2.16 -0.31 0.00 0.00 175.10 173.47 1rtj s PRO 537 N -1.31 3.29 0.89 4.82 0.04 -1.26 -3.71 135.00 137.76 1rtj s PRO 537 Ca -0.14 1.54 -0.13 0.00 0.04 0.00 0.00 61.00 62.31 1rtj s PRO 537 Cb -0.08 -2.00 0.13 0.00 0.04 0.00 0.00 34.50 32.58 1rtj s PRO 537 CO 0.00 -0.88 1.17 0.00 0.04 0.00 0.00 177.00 177.33 1rtj s ALA 538 N -1.91 2.12 0.00 8.56 0.00 -1.26 -4.24 121.76 125.03 1rtj s ALA 538 Ca 0.71 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1rtj s ALA 538 Cb -0.22 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1rtj s ALA 538 CO 0.29 -2.11 0.00 0.72 0.00 0.00 0.00 175.76 174.67 1rtj n HIS 539 N -3.62 0.00 -2.97 0.00 8.25 -1.26 -4.91 115.22 110.70 1rtj n HIS 539 Ca 0.08 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.31 1rtj n HIS 539 Cb 0.60 -1.17 0.01 0.00 1.12 0.00 0.00 29.99 30.55 1rtj n HIS 539 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1rtj s LYS 540 N -0.39 3.07 -1.05 -0.41 -0.14 -1.26 -4.99 119.74 114.58 1rtj s LYS 540 Ca 0.00 -0.47 -0.06 0.00 -1.36 0.00 0.00 55.97 54.08 1rtj s LYS 540 Cb 0.00 -2.55 0.01 0.00 -1.68 0.00 0.00 37.83 33.61 1rtj s LYS 540 CO 0.00 -0.27 2.75 0.41 -0.76 0.00 0.00 175.35 177.48 1rtj n GLY 541 N -2.09 4.55 3.35 -3.33 0.00 -1.26 -4.89 105.19 101.52 1rtj n GLY 541 Ca 0.01 -1.79 -0.45 0.00 0.00 0.00 0.00 46.02 43.79 1rtj n GLY 541 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rtj s ILE 542 N -0.38 5.08 0.00 -0.61 1.09 -1.26 -5.24 121.20 119.88 1rtj s ILE 542 Ca 0.60 -1.45 0.00 0.00 -1.10 0.00 0.00 60.65 58.71 1rtj s ILE 542 Cb 0.24 -4.45 0.00 0.00 -1.06 0.00 0.00 42.46 37.19 1rtj s ILE 542 CO -0.10 -1.05 0.00 0.61 -0.10 0.00 0.00 174.94 174.30