#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mee s ILE 2 N 0.00 1.86 0.25 4.25 1.01 -1.26 -4.23 121.20 123.08 3mee s ILE 2 Ca 0.00 -1.30 -0.29 0.00 0.00 0.00 0.00 60.65 59.06 3mee s ILE 2 Cb 0.00 -1.97 -0.15 0.00 0.01 0.00 0.00 42.46 40.35 3mee s ILE 2 CO 0.00 0.07 0.99 -0.24 0.00 0.00 0.00 174.94 175.75 3mee n SER 3 N 4.58 0.99 0.00 3.58 2.88 0.22 -4.84 113.62 121.02 3mee n SER 3 Ca -0.14 1.16 0.10 0.00 -1.33 0.00 0.00 58.87 58.66 3mee n SER 3 Cb 0.45 -1.23 0.55 0.00 -0.75 0.00 0.00 64.21 63.23 3mee n SER 3 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3mee n PRO 4 N 1.01 0.36 -1.64 -1.46 -0.04 -1.25 -4.53 135.00 127.45 3mee n PRO 4 Ca 0.12 0.07 -0.39 0.00 -0.04 0.00 0.00 63.50 63.27 3mee n PRO 4 Cb 0.29 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.29 3mee n PRO 4 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3mee n ILE 5 N -1.24 3.45 -1.26 0.52 3.06 -1.26 -4.97 119.36 117.66 3mee n ILE 5 Ca 0.11 -0.50 -0.34 0.00 -2.50 0.00 0.00 62.75 59.52 3mee n ILE 5 Cb 0.15 -1.27 0.11 0.00 0.54 0.00 0.00 39.64 39.18 3mee n ILE 5 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 3mee s GLU 6 N -2.62 1.87 0.46 9.51 2.02 -1.26 -4.81 118.70 123.87 3mee s GLU 6 Ca 0.72 1.76 -0.07 0.00 0.02 0.00 0.00 54.97 57.40 3mee s GLU 6 Cb -0.45 -1.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 3mee s GLU 6 CO 0.50 -2.04 0.78 0.95 0.02 0.00 0.00 175.26 175.47 3mee s THR 7 N -2.07 4.88 -0.21 3.63 -4.23 -1.26 -4.97 115.64 111.40 3mee s THR 7 Ca 0.74 0.32 -0.18 0.00 -1.18 0.00 0.00 61.69 61.39 3mee s THR 7 Cb -0.29 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.69 3mee s THR 7 CO 0.48 -0.76 0.51 -0.69 -0.54 0.00 0.00 174.62 173.62 3mee s VAL 8 N -2.64 5.10 0.22 2.29 1.01 -1.26 -4.97 120.40 120.15 3mee s VAL 8 Ca 0.48 0.93 -0.31 0.00 0.00 0.00 0.00 61.98 63.08 3mee s VAL 8 Cb -0.10 -3.83 -0.11 0.00 0.00 0.00 0.00 36.38 32.34 3mee s VAL 8 CO 0.41 0.16 1.60 -2.16 0.00 0.00 0.00 175.10 175.11 3mee s PRO 9 N 1.74 4.18 0.05 2.72 0.04 -1.26 -4.29 135.00 138.18 3mee s PRO 9 Ca 0.23 2.47 0.02 0.00 0.04 0.00 0.00 61.00 63.76 3mee s PRO 9 Cb -0.15 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 3mee s PRO 9 CO 0.09 -0.63 -0.07 0.54 0.04 0.00 0.00 177.00 176.97 3mee s VAL 10 N 0.71 0.55 0.14 -0.36 0.11 -1.26 -5.09 120.40 115.20 3mee s VAL 10 Ca 0.68 -1.20 -0.05 0.00 -2.93 0.00 0.00 61.98 58.48 3mee s VAL 10 Cb -0.46 -0.76 -0.02 0.00 -1.53 0.00 0.00 36.38 33.61 3mee s VAL 10 CO 0.37 -0.46 0.16 -0.75 -3.33 0.00 0.00 175.10 171.09 3mee s LYS 11 N -1.92 1.02 0.69 1.54 2.47 -1.26 -4.73 119.74 117.55 3mee s LYS 11 Ca -0.07 -1.29 -0.14 0.00 -1.56 0.00 0.00 55.97 52.91 3mee s LYS 11 Cb -0.08 0.31 0.01 0.00 -1.46 0.00 0.00 37.83 36.61 3mee s LYS 11 CO -0.00 -0.33 1.10 -0.51 0.16 0.00 0.00 175.35 175.76 3mee s LEU 12 N -3.00 3.28 0.57 5.43 2.01 -1.26 -2.41 118.68 123.31 3mee s LEU 12 Ca 0.20 1.91 -0.18 0.00 0.01 0.00 0.00 54.13 56.07 3mee s LEU 12 Cb 0.05 -4.54 -0.08 0.00 0.01 0.00 0.00 46.19 41.64 3mee s LEU 12 CO 0.00 -1.70 0.63 0.29 1.01 0.00 0.00 176.35 176.58 3mee n LYS 13 N -2.74 0.59 -0.32 1.70 5.02 0.71 -4.63 118.16 118.51 3mee n LYS 13 Ca 0.10 0.23 0.10 0.00 -2.02 0.00 0.00 58.31 56.72 3mee n LYS 13 Cb 0.52 -1.80 0.32 0.00 -0.02 0.00 0.00 35.03 34.05 3mee n LYS 13 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3mee h PRO 14 N 0.30 0.79 0.00 1.97 0.13 -1.94 -0.61 132.00 132.63 3mee h PRO 14 Ca -0.46 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3mee h PRO 14 Cb 1.39 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3mee h PRO 14 CO 0.48 0.52 -0.92 0.78 -0.23 0.00 0.00 178.00 178.63 3mee h GLY 15 N 0.81 0.00 -1.26 1.56 0.00 -1.99 -3.49 103.07 98.71 3mee h GLY 15 Ca 0.48 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.33 3mee h GLY 15 CO -0.25 0.00 0.33 1.06 0.00 0.00 0.00 176.54 177.67 3mee s MET 16 N -3.34 2.93 0.32 4.80 -1.94 -0.24 -5.10 119.30 116.74 3mee s MET 16 Ca 0.01 0.31 0.09 0.00 -1.71 0.00 0.00 55.69 54.38 3mee s MET 16 Cb 0.10 -2.12 -0.05 0.00 2.01 0.00 0.00 34.83 34.77 3mee s MET 16 CO 0.78 -0.88 0.05 0.34 -0.01 0.00 0.00 175.02 175.30 3mee s ASP 17 N -4.33 4.41 1.10 3.03 3.68 -1.26 -4.85 116.67 118.45 3mee s ASP 17 Ca 0.56 -0.85 -0.12 0.00 2.13 0.00 0.00 52.55 54.27 3mee s ASP 17 Cb -0.11 -0.66 0.25 0.00 -1.45 0.00 0.00 42.92 40.96 3mee s ASP 17 CO 0.49 -0.21 1.05 -0.83 0.13 0.00 0.00 175.17 175.81 3mee s GLY 18 N -3.75 1.57 0.48 2.66 0.00 -1.26 -4.95 107.32 102.07 3mee s GLY 18 Ca 0.35 0.00 -0.22 0.00 0.00 0.00 0.00 44.72 44.85 3mee s GLY 18 CO 0.20 0.65 1.13 2.56 0.00 0.00 0.00 173.10 177.65 3mee s PRO 19 N -4.53 3.71 -0.47 2.90 0.04 -1.26 -4.98 135.00 130.41 3mee s PRO 19 Ca 0.68 1.66 0.06 0.00 0.04 0.00 0.00 61.00 63.45 3mee s PRO 19 Cb -0.24 -2.29 0.23 0.00 0.04 0.00 0.00 34.50 32.24 3mee s PRO 19 CO 0.63 -0.57 0.52 1.63 0.04 0.00 0.00 177.00 179.25 3mee n LYS 20 N -0.69 1.02 -4.35 4.56 5.02 -1.25 -1.88 118.16 120.58 3mee n LYS 20 Ca 0.08 -3.58 -0.34 0.00 -2.02 0.00 0.00 58.31 52.46 3mee n LYS 20 Cb 0.49 -1.59 -0.11 0.00 -0.02 0.00 0.00 35.03 33.80 3mee n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3mee s VAL 21 N -1.17 4.06 0.15 -0.18 1.01 0.26 -4.87 120.40 119.65 3mee s VAL 21 Ca 0.35 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.72 3mee s VAL 21 Cb 0.12 -2.78 -0.08 0.00 0.00 0.00 0.00 36.38 33.64 3mee s VAL 21 CO -0.12 0.50 1.37 -0.75 0.00 0.00 0.00 175.10 176.10 3mee s LYS 22 N 0.22 4.34 -0.15 2.72 2.36 -1.26 -4.09 119.74 123.87 3mee s LYS 22 Ca -0.01 2.08 -0.29 0.00 -2.55 0.00 0.00 55.97 55.19 3mee s LYS 22 Cb -0.14 -3.22 -0.01 0.00 -1.05 0.00 0.00 37.83 33.41 3mee s LYS 22 CO 0.02 -0.38 1.15 -1.14 1.55 0.00 0.00 175.35 176.55 3mee s GLN 23 N 0.65 4.29 0.64 4.03 2.00 -1.26 -4.75 119.66 125.26 3mee s GLN 23 Ca 0.62 1.54 -0.11 0.00 -2.00 0.00 0.00 55.36 55.40 3mee s GLN 23 Cb -0.37 -3.65 -0.02 0.00 0.80 0.00 0.00 33.01 29.76 3mee s GLN 23 CO 0.33 -0.58 1.04 1.67 -0.50 0.00 0.00 175.29 177.26 3mee s TRP 24 N 2.94 3.39 0.44 1.67 -2.14 -1.26 -5.03 118.94 118.95 3mee s TRP 24 Ca 0.51 1.36 -0.24 0.00 2.66 0.00 0.00 56.10 60.39 3mee s TRP 24 Cb -0.20 -2.80 -0.08 0.00 -3.10 0.00 0.00 33.47 27.30 3mee s TRP 24 CO 0.14 -0.91 1.23 -1.25 -2.66 0.00 0.00 176.95 173.51 3mee s PRO 25 N -5.03 3.78 0.23 3.25 0.04 -1.26 -4.87 135.00 131.15 3mee s PRO 25 Ca 0.57 1.97 0.11 0.00 0.04 0.00 0.00 61.00 63.69 3mee s PRO 25 Cb -0.12 -2.54 -0.05 0.00 0.04 0.00 0.00 34.50 31.83 3mee s PRO 25 CO 0.53 -0.58 -0.20 -0.51 0.04 0.00 0.00 177.00 176.27 3mee s LEU 26 N -2.82 2.57 0.77 -3.56 1.43 -1.26 -5.10 118.68 110.71 3mee s LEU 26 Ca 0.61 -0.91 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 3mee s LEU 26 Cb -0.33 -1.20 0.06 0.00 0.03 0.00 0.00 46.19 44.75 3mee s LEU 26 CO 0.41 0.08 1.18 0.42 0.23 0.00 0.00 176.35 178.67 3mee s THR 27 N -2.06 2.40 0.34 5.49 -4.23 -1.26 -4.70 115.64 111.63 3mee s THR 27 Ca 0.25 0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.96 3mee s THR 27 Cb -0.07 -2.62 0.26 0.00 1.34 0.00 0.00 72.50 71.42 3mee s THR 27 CO 0.13 -0.13 2.00 -0.33 -0.54 0.00 0.00 174.62 175.75 3mee h GLU 28 N -0.67 0.89 0.00 3.99 5.08 -1.99 -1.28 114.58 120.60 3mee h GLU 28 Ca -0.46 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 57.69 3mee h GLU 28 Cb 1.28 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 3mee h GLU 28 CO 0.48 0.59 -0.74 1.05 -1.00 0.00 0.00 179.01 179.39 3mee h GLU 29 N 0.91 0.00 -0.15 2.33 4.11 -1.99 -1.04 114.58 118.76 3mee h GLU 29 Ca 0.25 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.54 3mee h GLU 29 Cb -0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3mee h GLU 29 CO -0.06 0.74 -0.53 0.87 0.07 0.00 0.00 179.01 180.10 3mee h LYS 30 N 0.00 0.42 -0.17 1.06 1.57 -1.79 -1.91 116.57 115.74 3mee h LYS 30 Ca -0.01 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.45 3mee h LYS 30 Cb 1.36 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 3mee h LYS 30 CO 0.10 0.84 -0.20 0.82 -0.57 0.00 0.00 179.45 180.44 3mee h ILE 31 N 0.32 1.22 -0.03 1.86 2.04 -0.82 -1.94 117.51 120.17 3mee h ILE 31 Ca 0.01 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 3mee h ILE 31 Cb 1.04 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 3mee h ILE 31 CO 0.09 0.32 -0.14 0.50 0.00 0.00 0.00 178.15 178.92 3mee h LYS 32 N 0.27 0.15 -0.48 2.37 3.64 -0.95 -2.50 116.57 119.07 3mee h LYS 32 Ca 0.05 -0.12 0.10 0.00 -1.27 0.00 0.00 60.65 59.41 3mee h LYS 32 Cb 0.51 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.26 3mee h LYS 32 CO 0.03 0.77 -0.18 0.00 -2.27 0.00 0.00 179.45 177.80 3mee h ALA 33 N 0.38 0.20 -0.73 5.00 0.00 -1.26 -1.84 119.26 121.01 3mee h ALA 33 Ca -0.01 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3mee h ALA 33 Cb 0.79 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3mee h ALA 33 CO 0.03 -0.51 0.35 -0.07 0.00 0.00 0.00 179.25 179.05 3mee h LEU 34 N -0.07 0.95 -0.37 0.00 3.38 -1.36 -1.41 115.31 116.43 3mee h LEU 34 Ca 0.23 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3mee h LEU 34 Cb 0.42 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3mee h LEU 34 CO -0.53 0.80 -0.03 0.58 0.09 0.00 0.00 178.44 179.36 3mee h VAL 35 N 1.04 1.27 -0.16 1.22 2.07 -0.97 -0.28 116.25 120.44 3mee h VAL 35 Ca 0.25 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 3mee h VAL 35 Cb 0.10 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3mee h VAL 35 CO -0.03 0.35 0.10 -0.33 0.02 0.00 0.00 177.57 177.67 3mee h GLU 36 N 0.48 0.22 -0.17 1.57 5.08 -1.03 -1.42 114.58 119.31 3mee h GLU 36 Ca 0.10 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3mee h GLU 36 Cb 0.51 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3mee h GLU 36 CO 0.02 0.19 0.06 0.82 -1.00 0.00 0.00 179.01 179.11 3mee h ILE 37 N 0.18 1.16 0.00 3.13 2.04 -1.21 -1.10 117.51 121.70 3mee h ILE 37 Ca 0.06 -0.49 -0.08 0.00 1.00 0.00 0.00 64.86 65.35 3mee h ILE 37 Cb 0.03 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3mee h ILE 37 CO -0.01 0.15 -0.37 0.00 0.00 0.00 0.00 178.15 177.92 3mee h THR 39 N 0.00 1.20 0.59 0.00 2.02 -1.00 0.65 112.91 116.38 3mee h THR 39 Ca -0.00 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 3mee h THR 39 Cb 0.71 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 3mee h THR 39 CO 0.05 0.23 -0.49 -0.33 0.37 0.00 0.00 175.52 175.34 3mee h GLU 40 N 0.44 -1.02 -0.99 6.66 5.08 -0.44 -2.80 114.58 121.51 3mee h GLU 40 Ca 0.12 0.07 0.14 0.00 -1.00 0.00 0.00 59.36 58.69 3mee h GLU 40 Cb 0.23 0.23 -0.09 0.00 0.50 0.00 0.00 28.75 29.62 3mee h GLU 40 CO -0.01 -0.68 0.61 0.52 -1.00 0.00 0.00 179.01 178.46 3mee h MET 41 N -1.06 0.89 -0.36 2.33 2.86 -0.96 -1.43 114.93 117.20 3mee h MET 41 Ca -0.08 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 3mee h MET 41 Cb 0.89 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 3mee h MET 41 CO -0.01 0.59 -0.09 1.49 1.06 0.00 0.00 176.91 179.95 3mee h GLU 42 N 0.91 0.62 0.00 1.72 4.81 -0.78 -0.94 114.58 120.93 3mee h GLU 42 Ca 0.51 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3mee h GLU 42 Cb 0.59 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3mee h GLU 42 CO -0.30 0.71 0.00 1.63 -0.73 0.00 0.00 179.01 180.32 3mee n LYS 43 N -4.20 0.08 0.00 1.92 5.02 -0.56 -2.04 118.16 118.39 3mee n LYS 43 Ca 0.01 0.09 0.11 0.00 -2.02 0.00 0.00 58.31 56.50 3mee n LYS 43 Cb 0.33 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 3mee n LYS 43 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3mee n GLU 44 N -1.45 1.05 -0.14 1.97 1.02 -0.45 -4.96 120.64 117.68 3mee n GLU 44 Ca 0.07 -0.87 0.00 0.00 -0.02 0.00 0.00 57.16 56.34 3mee n GLU 44 Cb 0.26 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3mee n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mee n GLY 45 N 1.43 0.88 0.33 0.62 0.00 -0.86 -4.84 105.19 102.75 3mee n GLY 45 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 3mee n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mee h LYS 46 N 3.73 1.03 -4.85 1.61 6.56 -1.53 -3.42 116.57 119.71 3mee h LYS 46 Ca 0.00 -0.15 -0.32 0.00 -1.06 0.00 0.00 60.65 59.12 3mee h LYS 46 Cb 0.00 -0.19 -0.15 0.00 -0.57 0.00 0.00 32.23 31.33 3mee h LYS 46 CO 0.00 0.80 -0.64 0.96 -2.06 0.00 0.00 179.45 178.51 3mee s ILE 47 N -5.57 0.61 -0.01 1.86 -4.36 -1.24 -0.84 121.20 111.65 3mee s ILE 47 Ca -0.11 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.30 3mee s ILE 47 Cb 0.16 -2.41 0.00 0.00 1.25 0.00 0.00 42.46 41.47 3mee s ILE 47 CO 0.81 -0.21 -0.04 -0.44 0.24 0.00 0.00 174.94 175.30 3mee s SER 48 N -3.25 0.50 0.33 4.36 0.01 -0.08 -4.50 113.70 111.08 3mee s SER 48 Ca 0.32 -0.07 -0.29 0.00 1.31 0.00 0.00 55.95 57.22 3mee s SER 48 Cb 0.07 -0.09 -0.11 0.00 0.21 0.00 0.00 66.02 66.10 3mee s SER 48 CO 0.09 0.03 1.44 -0.54 0.41 0.00 0.00 173.24 174.68 3mee s LYS 49 N 0.08 4.20 0.23 12.44 1.02 -1.26 -0.94 119.74 135.51 3mee s LYS 49 Ca -0.00 2.43 0.12 0.00 0.02 0.00 0.00 55.97 58.53 3mee s LYS 49 Cb -0.04 -3.03 -0.05 0.00 -0.52 0.00 0.00 37.83 34.20 3mee s LYS 49 CO -0.00 -0.43 -0.22 0.96 -0.92 0.00 0.00 175.35 174.73 3mee s ILE 50 N -0.81 2.43 0.58 2.17 -4.36 -0.41 -4.87 121.20 115.92 3mee s ILE 50 Ca 0.54 -2.18 -0.10 0.00 -0.26 0.00 0.00 60.65 58.66 3mee s ILE 50 Cb -0.44 -2.21 0.14 0.00 1.25 0.00 0.00 42.46 41.20 3mee s ILE 50 CO 0.55 -0.23 0.58 0.61 0.24 0.00 0.00 174.94 176.69 3mee n GLY 51 N -0.10 -2.24 0.20 6.27 0.00 -1.26 -4.71 105.19 103.34 3mee n GLY 51 Ca -0.09 -1.53 0.09 0.00 0.00 0.00 0.00 46.02 44.48 3mee n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mee h PRO 52 N 0.00 0.00 0.29 1.61 0.13 -2.01 -3.34 132.00 128.68 3mee h PRO 52 Ca -0.21 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3mee h PRO 52 Cb 0.62 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.72 3mee h PRO 52 CO 0.14 0.23 -0.41 0.93 -0.23 0.00 0.00 178.00 178.66 3mee h GLU 53 N 0.00 -0.70 -5.73 0.86 3.07 -2.04 -3.42 114.58 106.62 3mee h GLU 53 Ca -0.00 0.05 -0.69 0.00 -0.50 0.00 0.00 59.36 58.21 3mee h GLU 53 Cb 1.04 0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 29.06 3mee h GLU 53 CO 0.03 -0.47 1.44 -1.71 -1.40 0.00 0.00 179.01 176.90 3mee n ASN 54 N -4.87 0.65 -0.03 1.42 5.15 -1.26 -4.79 115.26 111.53 3mee n ASN 54 Ca -0.09 0.54 0.14 0.00 -0.60 0.00 0.00 54.58 54.57 3mee n ASN 54 Cb 0.36 -0.91 0.57 0.00 -0.53 0.00 0.00 39.78 39.26 3mee n ASN 54 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3mee n PRO 55 N 7.79 0.24 -3.45 1.20 -0.04 -1.26 -4.90 135.00 134.58 3mee n PRO 55 Ca 0.58 -0.06 -0.31 0.00 -0.04 0.00 0.00 63.50 63.66 3mee n PRO 55 Cb -0.01 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.90 3mee n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3mee s TYR 56 N -2.80 3.44 -0.10 0.54 2.02 -1.26 -4.80 117.35 114.40 3mee s TYR 56 Ca 0.20 0.79 -0.30 0.00 -0.37 0.00 0.00 57.07 57.39 3mee s TYR 56 Cb 0.19 -2.20 0.07 0.00 -0.40 0.00 0.00 41.96 39.63 3mee s TYR 56 CO 0.54 0.28 0.70 1.21 -1.57 0.00 0.00 175.55 176.71 3mee s ASN 57 N -2.47 -0.66 -0.04 2.29 3.84 -0.79 -4.63 114.94 112.47 3mee s ASN 57 Ca 0.46 0.85 0.01 0.00 0.21 0.00 0.00 52.86 54.38 3mee s ASN 57 Cb -0.11 0.71 0.02 0.00 -0.55 0.00 0.00 41.25 41.32 3mee s ASN 57 CO 0.23 -0.53 -0.03 -0.89 -2.79 0.00 0.00 177.10 173.09 3mee s THR 58 N -0.88 0.42 0.65 -5.21 2.01 -0.25 -0.57 115.64 111.81 3mee s THR 58 Ca -0.08 -0.05 -0.17 0.00 0.31 0.00 0.00 61.69 61.69 3mee s THR 58 Cb -0.01 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 72.02 3mee s THR 58 CO 0.08 0.20 1.23 -2.16 -0.69 0.00 0.00 174.62 173.28 3mee s PRO 59 N 0.99 2.59 0.13 4.92 0.04 -1.26 -4.24 135.00 138.17 3mee s PRO 59 Ca -0.10 1.87 0.03 0.00 0.04 0.00 0.00 61.00 62.84 3mee s PRO 59 Cb -0.14 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 3mee s PRO 59 CO -0.01 -1.51 -0.08 0.54 0.04 0.00 0.00 177.00 175.98 3mee s VAL 60 N -1.67 0.94 0.34 -0.36 0.11 -1.26 -2.20 120.40 116.30 3mee s VAL 60 Ca 0.78 -2.00 -0.18 0.00 -2.93 0.00 0.00 61.98 57.65 3mee s VAL 60 Cb -0.32 -1.79 0.04 0.00 -1.53 0.00 0.00 36.38 32.79 3mee s VAL 60 CO 0.39 -0.79 0.78 0.72 -3.33 0.00 0.00 175.10 172.86 3mee s PHE 61 N -3.47 0.01 0.00 1.54 -0.71 -0.25 -4.92 117.98 110.18 3mee s PHE 61 Ca 0.15 -0.60 0.01 0.00 -1.04 0.00 0.00 56.93 55.45 3mee s PHE 61 Cb 0.04 0.79 -0.01 0.00 -1.21 0.00 0.00 43.02 42.63 3mee s PHE 61 CO -0.02 -1.43 -0.03 0.00 -1.34 0.00 0.00 175.22 172.40 3mee s ALA 62 N -2.87 0.22 0.06 1.99 0.00 -1.26 -1.12 121.76 118.78 3mee s ALA 62 Ca 0.14 -0.22 0.05 0.00 0.00 0.00 0.00 51.96 51.92 3mee s ALA 62 Cb -0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 3mee s ALA 62 CO 0.10 0.02 -0.13 0.42 0.00 0.00 0.00 175.76 176.16 3mee s ILE 63 N -0.34 1.01 -0.40 0.00 1.01 -0.75 -4.96 121.20 116.76 3mee s ILE 63 Ca -0.02 -1.19 -0.27 0.00 0.00 0.00 0.00 60.65 59.17 3mee s ILE 63 Cb -0.03 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.49 3mee s ILE 63 CO -0.00 -0.19 0.99 -0.75 0.00 0.00 0.00 174.94 174.99 3mee s LYS 64 N -1.56 3.79 -0.34 2.79 2.20 -1.26 -0.24 119.74 125.12 3mee s LYS 64 Ca -0.02 0.57 -0.28 0.00 -0.36 0.00 0.00 55.97 55.88 3mee s LYS 64 Cb -0.09 -3.84 -0.03 0.00 -1.51 0.00 0.00 37.83 32.36 3mee s LYS 64 CO 0.02 -1.08 1.97 0.21 -0.36 0.00 0.00 175.35 176.11 3mee s LYS 65 N 3.76 3.09 4.43 4.03 2.20 0.02 -4.76 119.74 132.51 3mee s LYS 65 Ca 0.41 1.50 0.00 0.00 -0.36 0.00 0.00 55.97 57.52 3mee s LYS 65 Cb -0.11 -4.30 0.00 0.00 -1.51 0.00 0.00 37.83 31.91 3mee s LYS 65 CO 0.22 -2.15 0.00 1.63 -0.36 0.00 0.00 175.35 174.70 3mee n LYS 66 N 8.65 0.00 -2.86 4.03 4.01 -1.26 -1.61 118.16 129.12 3mee n LYS 66 Ca 0.26 0.00 -0.39 0.00 -0.51 0.00 0.00 58.31 57.66 3mee n LYS 66 Cb 0.48 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.00 3mee n LYS 66 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 3mee n ASP 67 N 0.46 6.50 -2.45 4.39 -0.08 -1.26 -4.97 116.55 119.14 3mee n ASP 67 Ca 0.00 -3.57 -0.10 0.00 -1.51 0.00 0.00 54.79 49.61 3mee n ASP 67 Cb 0.00 -1.11 -0.03 0.00 2.34 0.00 0.00 41.12 42.32 3mee n ASP 67 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 3mee n SER 68 N 0.49 1.23 -0.33 1.67 2.88 -0.63 -5.07 113.62 113.86 3mee n SER 68 Ca 0.37 -1.82 0.08 0.00 -1.33 0.00 0.00 58.87 56.17 3mee n SER 68 Cb 0.31 0.36 0.17 0.00 -0.75 0.00 0.00 64.21 64.30 3mee n SER 68 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3mee n THR 69 N -0.36 2.04 -3.91 2.46 -2.24 -1.26 -4.68 114.28 106.33 3mee n THR 69 Ca -0.03 -2.40 -0.21 0.00 -2.27 0.00 0.00 64.05 59.14 3mee n THR 69 Cb 0.23 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.18 3mee n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3mee s LYS 70 N -2.95 2.79 0.27 -0.78 3.01 -1.26 -5.02 119.74 115.80 3mee s LYS 70 Ca 0.35 -1.21 0.09 0.00 -1.01 0.00 0.00 55.97 54.19 3mee s LYS 70 Cb 0.31 -2.51 -0.04 0.00 -1.01 0.00 0.00 37.83 34.58 3mee s LYS 70 CO 0.02 0.19 0.01 -1.58 0.51 0.00 0.00 175.35 174.51 3mee s TRP 71 N -2.25 2.71 0.10 3.18 0.52 -1.26 -0.80 118.94 121.14 3mee s TRP 71 Ca 0.38 -0.22 0.07 0.00 0.02 0.00 0.00 56.10 56.35 3mee s TRP 71 Cb -0.07 -1.22 -0.04 0.00 -1.15 0.00 0.00 33.47 30.99 3mee s TRP 71 CO 0.26 0.61 -0.13 1.03 0.02 0.00 0.00 176.95 178.74 3mee s ARG 72 N -3.69 2.04 -0.30 4.98 0.52 0.67 -4.78 118.95 118.39 3mee s ARG 72 Ca 0.32 -1.05 -0.14 0.00 -0.52 0.00 0.00 55.73 54.33 3mee s ARG 72 Cb -0.06 -2.25 -0.03 0.00 0.52 0.00 0.00 34.95 33.13 3mee s ARG 72 CO 0.20 0.51 0.34 0.21 0.02 0.00 0.00 175.30 176.58 3mee s LYS 73 N -2.09 3.83 -0.12 3.54 2.20 -1.26 -1.82 119.74 124.02 3mee s LYS 73 Ca 0.20 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 3mee s LYS 73 Cb -0.11 -3.72 -0.02 0.00 -1.51 0.00 0.00 37.83 32.48 3mee s LYS 73 CO 0.12 -0.36 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.11 3mee s LEU 74 N 2.00 2.78 -0.04 5.43 1.02 -0.28 -5.03 118.68 124.57 3mee s LEU 74 Ca 0.12 -0.28 0.01 0.00 0.02 0.00 0.00 54.13 54.01 3mee s LEU 74 Cb -0.16 -1.62 -0.03 0.00 0.02 0.00 0.00 46.19 44.40 3mee s LEU 74 CO 0.11 0.20 -0.04 -0.69 0.02 0.00 0.00 176.35 175.94 3mee s VAL 75 N 0.16 3.87 -0.63 -1.59 1.01 -1.26 -1.09 120.40 120.87 3mee s VAL 75 Ca -0.06 -0.56 -0.17 0.00 0.00 0.00 0.00 61.98 61.19 3mee s VAL 75 Cb -0.15 -2.65 0.13 0.00 0.00 0.00 0.00 36.38 33.71 3mee s VAL 75 CO 0.05 0.49 0.67 -0.62 0.00 0.00 0.00 175.10 175.68 3mee s ASP 76 N -1.16 6.30 -0.15 3.32 3.68 -0.93 -4.92 116.67 122.81 3mee s ASP 76 Ca 0.15 -1.78 0.12 0.00 2.13 0.00 0.00 52.55 53.17 3mee s ASP 76 Cb -0.11 -2.26 0.60 0.00 -1.45 0.00 0.00 42.92 39.70 3mee s ASP 76 CO 0.05 -0.94 1.44 0.49 0.13 0.00 0.00 175.17 176.34 3mee n PHE 77 N 5.61 1.44 -0.00 -5.34 3.72 -1.26 -4.37 117.46 117.26 3mee n PHE 77 Ca -0.06 -0.52 -0.11 0.00 -0.05 0.00 0.00 57.45 56.71 3mee n PHE 77 Cb 0.43 -0.34 -0.05 0.00 -0.94 0.00 0.00 39.48 38.58 3mee n PHE 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mee h ARG 78 N 3.07 -0.42 -0.20 -1.08 3.08 -1.91 0.48 114.38 117.40 3mee h ARG 78 Ca 0.00 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3mee h ARG 78 Cb 1.47 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.61 3mee h ARG 78 CO 0.31 -0.28 0.10 0.93 -1.07 0.00 0.00 179.97 179.97 3mee h GLU 79 N -0.43 0.29 -0.67 0.04 4.39 -2.00 -0.97 114.58 115.23 3mee h GLU 79 Ca 0.09 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 3mee h GLU 79 Cb 0.58 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 3mee h GLU 79 CO -0.37 0.29 0.25 1.25 -1.16 0.00 0.00 179.01 179.27 3mee h LEU 80 N 0.21 0.94 -0.55 1.33 5.85 -1.82 -2.67 115.31 118.60 3mee h LEU 80 Ca 0.07 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.62 3mee h LEU 80 Cb 0.09 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3mee h LEU 80 CO -0.01 0.86 0.36 0.78 -0.34 0.00 0.00 178.44 180.09 3mee h ASN 81 N 0.96 0.61 0.39 1.25 2.35 0.38 0.40 115.58 121.92 3mee h ASN 81 Ca 0.22 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 3mee h ASN 81 Cb 0.23 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 3mee h ASN 81 CO -0.02 0.44 -0.10 0.11 -1.65 0.00 0.00 177.43 176.21 3mee h LYS 82 N 0.73 0.00 -0.01 0.81 1.57 -0.91 -1.56 116.57 117.20 3mee h LYS 82 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3mee h LYS 82 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3mee h LYS 82 CO -0.06 0.10 -0.35 0.54 -0.57 0.00 0.00 179.45 179.12 3mee n ARG 83 N -3.57 1.24 -3.39 3.15 1.74 -0.42 -4.90 116.66 110.51 3mee n ARG 83 Ca -0.02 -0.95 -0.33 0.00 -0.77 0.00 0.00 57.85 55.78 3mee n ARG 83 Cb 0.23 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.14 3mee n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3mee s THR 84 N -2.41 4.90 0.91 0.55 2.01 -0.00 -0.21 115.64 121.39 3mee s THR 84 Ca 0.22 0.61 -0.10 0.00 0.31 0.00 0.00 61.69 62.72 3mee s THR 84 Cb 0.19 -3.66 0.14 0.00 0.01 0.00 0.00 72.50 69.18 3mee s THR 84 CO 0.52 0.04 1.13 0.00 -0.69 0.00 0.00 174.62 175.62 3mee n GLN 85 N 0.20 -0.41 -2.28 4.92 10.64 -1.01 -4.47 117.38 124.98 3mee n GLN 85 Ca -0.02 -0.05 -0.32 0.00 -1.83 0.00 0.00 57.00 54.78 3mee n GLN 85 Cb 0.52 -2.37 -0.02 0.00 -0.86 0.00 0.00 30.24 27.52 3mee n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3mee s ASP 86 N -2.57 6.29 0.24 2.61 1.01 -1.26 -4.92 116.67 118.06 3mee s ASP 86 Ca 0.67 1.69 0.11 0.00 0.71 0.00 0.00 52.55 55.73 3mee s ASP 86 Cb -0.23 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.13 3mee s ASP 86 CO 0.58 -0.82 -0.20 -0.36 0.21 0.00 0.00 175.17 174.58 3mee s PHE 87 N -2.52 2.18 0.03 4.23 0.08 -1.26 -5.09 117.98 115.63 3mee s PHE 87 Ca 0.61 -0.38 -0.39 0.00 0.12 0.00 0.00 56.93 56.90 3mee s PHE 87 Cb -0.13 -1.00 -0.19 0.00 -0.57 0.00 0.00 43.02 41.14 3mee s PHE 87 CO 0.32 0.59 1.13 1.87 -0.10 0.00 0.00 175.22 179.03 3mee n TRP 88 N -0.29 0.85 -1.64 0.36 -0.00 -1.26 -4.84 117.44 110.61 3mee n TRP 88 Ca -0.08 0.95 -0.48 0.00 -0.00 0.00 0.00 57.50 57.89 3mee n TRP 88 Cb 0.59 -2.15 -0.04 0.00 -0.00 0.00 0.00 31.31 29.70 3mee n TRP 88 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 3mee n GLU 89 N 1.75 1.83 0.00 5.87 -0.58 -1.26 -4.87 120.64 123.37 3mee n GLU 89 Ca 0.19 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.59 3mee n GLU 89 Cb 0.11 -2.37 0.00 0.00 -0.57 0.00 0.00 31.44 28.61 3mee n GLU 89 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3mee n VAL 90 N 2.94 0.00 -3.64 2.62 0.31 -1.26 -4.54 118.33 114.76 3mee n VAL 90 Ca 0.17 1.38 -0.05 0.00 -0.01 0.00 0.00 64.34 65.83 3mee n VAL 90 Cb 0.26 -1.94 -0.07 0.00 -0.91 0.00 0.00 33.84 31.18 3mee n VAL 90 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3mee s GLN 91 N -2.53 0.58 -0.35 5.55 -1.52 -1.26 -4.96 119.66 115.16 3mee s GLN 91 Ca 0.00 1.00 -0.09 0.00 -1.95 0.00 0.00 55.36 54.32 3mee s GLN 91 Cb 0.00 0.11 0.03 0.00 -0.22 0.00 0.00 33.01 32.93 3mee s GLN 91 CO 0.00 -0.12 0.16 -0.51 -0.25 0.00 0.00 175.29 174.57 3mee s LEU 92 N 1.51 4.48 0.00 2.90 1.02 -1.26 -4.89 118.68 122.44 3mee s LEU 92 Ca -0.10 -0.97 0.00 0.00 0.02 0.00 0.00 54.13 53.08 3mee s LEU 92 Cb -0.04 -1.97 0.00 0.00 0.02 0.00 0.00 46.19 44.20 3mee s LEU 92 CO -0.18 -0.34 0.00 0.61 0.02 0.00 0.00 176.35 176.47 3mee n GLY 93 N 4.93 3.40 3.59 -3.19 0.00 -1.26 -5.14 105.19 107.52 3mee n GLY 93 Ca -0.12 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 3mee n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mee s ILE 94 N 0.00 4.24 0.28 -0.61 -1.09 -1.26 -5.08 121.20 117.68 3mee s ILE 94 Ca 0.00 -0.24 -0.30 0.00 -2.23 0.00 0.00 60.65 57.88 3mee s ILE 94 Cb 0.00 -2.85 -0.10 0.00 -1.58 0.00 0.00 42.46 37.93 3mee s ILE 94 CO 0.00 0.52 1.46 -2.16 -1.23 0.00 0.00 174.94 173.53 3mee s PRO 95 N -0.04 4.23 0.16 2.79 0.04 -1.26 -4.99 135.00 135.95 3mee s PRO 95 Ca 0.03 2.37 -0.23 0.00 0.04 0.00 0.00 61.00 63.22 3mee s PRO 95 Cb -0.13 -3.07 -0.08 0.00 0.04 0.00 0.00 34.50 31.26 3mee s PRO 95 CO 0.02 -0.45 0.72 -1.58 0.04 0.00 0.00 177.00 175.76 3mee s HIS 96 N -0.24 3.82 0.36 0.56 2.46 -1.26 -4.96 115.29 116.02 3mee s HIS 96 Ca 0.58 1.50 0.11 0.00 0.47 0.00 0.00 55.06 57.72 3mee s HIS 96 Cb -0.43 -2.67 0.88 0.00 -0.13 0.00 0.00 32.58 30.23 3mee s HIS 96 CO 0.47 0.48 1.83 -1.35 -2.47 0.00 0.00 174.74 173.70 3mee h PRO 97 N 4.11 0.60 0.00 2.88 0.11 -1.97 -1.51 132.00 136.22 3mee h PRO 97 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3mee h PRO 97 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3mee h PRO 97 CO 0.65 0.40 0.00 0.00 -0.21 0.00 0.00 178.00 178.84 3mee h ALA 98 N 1.61 1.00 0.00 -0.75 0.00 -1.85 0.91 119.26 120.19 3mee h ALA 98 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3mee h ALA 98 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3mee h ALA 98 CO -0.26 0.00 -0.51 0.41 0.00 0.00 0.00 179.25 178.89 3mee n GLY 99 N -0.50 -1.46 3.79 0.00 0.00 -0.57 -3.92 105.19 102.53 3mee n GLY 99 Ca 0.01 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3mee n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mee s LEU 100 N -4.24 3.94 0.15 0.99 1.43 0.31 -4.66 118.68 116.60 3mee s LEU 100 Ca 0.07 2.01 -0.12 0.00 -1.03 0.00 0.00 54.13 55.06 3mee s LEU 100 Cb 0.13 -4.43 -0.07 0.00 0.03 0.00 0.00 46.19 41.86 3mee s LEU 100 CO 0.70 -0.74 0.52 -0.54 0.23 0.00 0.00 176.35 176.51 3mee s LYS 101 N -2.98 3.90 0.27 1.70 3.01 -1.26 -1.30 119.74 123.08 3mee s LYS 101 Ca 0.65 0.38 -0.30 0.00 -1.01 0.00 0.00 55.97 55.69 3mee s LYS 101 Cb -0.19 -2.89 -0.14 0.00 -1.01 0.00 0.00 37.83 33.60 3mee s LYS 101 CO 0.24 0.46 1.21 1.17 0.51 0.00 0.00 175.35 178.94 3mee n LYS 102 N 0.64 1.69 -4.53 1.68 4.81 -1.26 -4.92 118.16 116.27 3mee n LYS 102 Ca -0.05 0.60 -0.23 0.00 -0.87 0.00 0.00 58.31 57.76 3mee n LYS 102 Cb 0.52 -2.12 -0.14 0.00 0.02 0.00 0.00 35.03 33.32 3mee n LYS 102 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3mee s LYS 103 N -1.13 1.17 -0.01 1.64 3.01 -0.79 -4.94 119.74 118.69 3mee s LYS 103 Ca 0.63 -0.80 -0.23 0.00 -1.01 0.00 0.00 55.97 54.56 3mee s LYS 103 Cb -0.68 -1.21 -0.19 0.00 -1.01 0.00 0.00 37.83 34.74 3mee s LYS 103 CO 0.56 0.31 1.23 0.87 0.51 0.00 0.00 175.35 178.83 3mee h LYS 104 N 5.04 0.18 -3.59 1.68 1.57 -1.51 -3.40 116.57 116.54 3mee h LYS 104 Ca -0.39 -0.12 -0.22 0.00 -1.87 0.00 0.00 60.65 58.05 3mee h LYS 104 Cb 1.17 0.01 -0.28 0.00 0.08 0.00 0.00 32.23 33.22 3mee h LYS 104 CO 0.45 0.70 -0.66 -1.54 -0.57 0.00 0.00 179.45 177.83 3mee s SER 105 N -6.02 -0.05 -0.01 0.86 1.04 -0.48 -4.93 113.70 104.11 3mee s SER 105 Ca -0.15 0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.41 3mee s SER 105 Cb 0.03 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.25 3mee s SER 105 CO 0.72 -0.02 -0.07 -0.69 0.98 0.00 0.00 173.24 174.16 3mee s VAL 106 N 0.06 0.52 0.00 5.02 1.01 -1.26 -0.67 120.40 125.09 3mee s VAL 106 Ca -0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 3mee s VAL 106 Cb -0.01 -0.44 -0.00 0.00 0.00 0.00 0.00 36.38 35.93 3mee s VAL 106 CO -0.00 0.15 -0.00 0.28 0.00 0.00 0.00 175.10 175.52 3mee s THR 107 N -0.15 0.02 -0.19 3.92 -1.32 -0.39 -4.60 115.64 112.93 3mee s THR 107 Ca 0.03 -0.20 -0.07 0.00 -1.21 0.00 0.00 61.69 60.23 3mee s THR 107 Cb -0.03 -0.07 -0.04 0.00 -1.51 0.00 0.00 72.50 70.86 3mee s THR 107 CO -0.00 -0.11 0.06 -0.69 -2.21 0.00 0.00 174.62 171.67 3mee s VAL 108 N -0.32 4.65 -0.10 5.08 1.01 -1.26 -0.67 120.40 128.79 3mee s VAL 108 Ca -0.04 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3mee s VAL 108 Cb -0.02 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 3mee s VAL 108 CO -0.00 0.43 -0.13 -0.76 0.00 0.00 0.00 175.10 174.65 3mee s LEU 109 N 0.63 2.78 -0.31 3.92 1.43 0.70 -3.98 118.68 123.85 3mee s LEU 109 Ca 0.03 -0.26 -0.09 0.00 -1.03 0.00 0.00 54.13 52.78 3mee s LEU 109 Cb -0.13 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.48 3mee s LEU 109 CO 0.02 0.23 0.15 -0.62 0.23 0.00 0.00 176.35 176.36 3mee s ASP 110 N -0.05 5.51 -0.10 2.29 2.15 -1.26 -1.31 116.67 123.91 3mee s ASP 110 Ca -0.02 -0.59 -0.30 0.00 0.43 0.00 0.00 52.55 52.07 3mee s ASP 110 Cb -0.14 -1.99 -0.02 0.00 -0.30 0.00 0.00 42.92 40.48 3mee s ASP 110 CO 0.04 -0.21 1.03 -0.69 -0.17 0.00 0.00 175.17 175.17 3mee s VAL 111 N 1.59 4.71 0.17 1.11 1.01 -0.62 -3.86 120.40 124.52 3mee s VAL 111 Ca 0.04 1.98 -0.29 0.00 0.00 0.00 0.00 61.98 63.71 3mee s VAL 111 Cb -0.17 -4.27 -0.07 0.00 0.00 0.00 0.00 36.38 31.86 3mee s VAL 111 CO 0.06 0.01 0.91 -0.83 0.00 0.00 0.00 175.10 175.25 3mee s GLY 112 N 1.15 3.03 -1.64 4.51 0.00 -0.88 -4.06 107.32 109.42 3mee s GLY 112 Ca 0.49 0.54 -0.08 0.00 0.00 0.00 0.00 44.72 45.68 3mee s GLY 112 CO 0.19 1.23 0.26 1.22 0.00 0.00 0.00 173.10 175.99 3mee n ASP 113 N 2.05 -0.21 -0.16 1.64 9.92 -1.26 -4.67 116.55 123.86 3mee n ASP 113 Ca -0.01 -1.23 -0.12 0.00 -0.53 0.00 0.00 54.79 52.91 3mee n ASP 113 Cb 0.48 -1.82 -0.07 0.00 -0.64 0.00 0.00 41.12 39.07 3mee n ASP 113 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3mee h ALA 114 N 0.82 -0.60 -0.51 2.24 0.00 -1.96 -1.01 119.26 118.24 3mee h ALA 114 Ca -0.64 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.33 3mee h ALA 114 Cb 1.39 1.05 -0.03 0.00 0.00 0.00 0.00 17.79 20.21 3mee h ALA 114 CO 0.76 -0.96 0.32 1.88 0.00 0.00 0.00 179.25 181.25 3mee h TYR 115 N -0.33 0.61 0.00 0.00 -1.99 -1.87 -1.37 116.97 112.02 3mee h TYR 115 Ca 0.11 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.86 3mee h TYR 115 Cb 0.58 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.11 3mee h TYR 115 CO -0.71 0.37 0.00 1.19 -0.00 0.00 0.00 178.16 179.00 3mee n PHE 116 N -4.76 0.00 1.27 4.88 0.99 -0.49 -2.30 117.46 117.05 3mee n PHE 116 Ca 0.03 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.61 3mee n PHE 116 Cb 0.05 -0.22 0.34 0.00 -1.00 0.00 0.00 39.48 38.65 3mee n PHE 116 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3mee n SER 117 N -1.22 2.16 -4.24 4.37 7.64 -0.52 -4.72 113.62 117.08 3mee n SER 117 Ca 0.11 -1.72 -0.32 0.00 1.01 0.00 0.00 58.87 57.95 3mee n SER 117 Cb 0.14 -0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.17 3mee n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3mee s VAL 118 N -1.99 2.15 0.50 0.44 1.01 -0.98 0.70 120.40 122.23 3mee s VAL 118 Ca 0.34 -0.99 -0.21 0.00 0.00 0.00 0.00 61.98 61.11 3mee s VAL 118 Cb 0.21 -1.82 -0.07 0.00 0.00 0.00 0.00 36.38 34.70 3mee s VAL 118 CO 0.32 0.56 1.16 -2.16 0.00 0.00 0.00 175.10 174.98 3mee s PRO 119 N 0.25 3.54 -0.07 2.72 0.04 -1.26 -1.49 135.00 138.72 3mee s PRO 119 Ca -0.16 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 62.56 3mee s PRO 119 Cb -0.17 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 3mee s PRO 119 CO 0.08 -0.72 0.14 -1.17 0.04 0.00 0.00 177.00 175.37 3mee s LEU 120 N -3.40 4.32 -0.34 -3.56 0.20 0.87 -4.68 118.68 112.09 3mee s LEU 120 Ca 0.68 0.39 -0.41 0.00 0.69 0.00 0.00 54.13 55.49 3mee s LEU 120 Cb -0.27 -2.26 -0.16 0.00 -0.43 0.00 0.00 46.19 43.07 3mee s LEU 120 CO 0.32 0.35 1.83 -0.67 -0.29 0.00 0.00 176.35 177.88 3mee n ASP 121 N 1.59 2.07 -0.29 3.68 2.03 -1.26 -4.82 116.55 119.54 3mee n ASP 121 Ca -0.16 0.96 0.08 0.00 0.52 0.00 0.00 54.79 56.19 3mee n ASP 121 Cb 0.54 -1.10 0.24 0.00 -0.72 0.00 0.00 41.12 40.08 3mee n ASP 121 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3mee h GLU 122 N 7.82 0.52 0.00 -0.67 4.81 -1.95 0.39 114.58 125.51 3mee h GLU 122 Ca -0.40 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3mee h GLU 122 Cb 1.33 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3mee h GLU 122 CO 0.98 0.34 0.00 -0.44 -0.73 0.00 0.00 179.01 179.17 3mee h ASP 123 N 0.54 0.00 0.19 1.04 3.32 -1.94 -2.81 116.42 116.75 3mee h ASP 123 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 3mee h ASP 123 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3mee h ASP 123 CO -0.41 0.00 -1.74 0.33 -1.72 0.00 0.00 179.24 175.70 3mee n PHE 124 N -3.06 0.18 -0.32 4.55 7.35 0.13 -4.49 117.46 121.80 3mee n PHE 124 Ca -0.01 0.05 0.07 0.00 -0.76 0.00 0.00 57.45 56.80 3mee n PHE 124 Cb 0.17 -0.55 0.26 0.00 0.35 0.00 0.00 39.48 39.71 3mee n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3mee h ARG 125 N 0.00 0.93 -0.91 -4.13 3.08 -1.17 -1.56 114.38 110.62 3mee h ARG 125 Ca 0.00 -0.06 0.23 0.00 0.07 0.00 0.00 59.98 60.22 3mee h ARG 125 Cb 0.97 -0.21 -0.06 0.00 0.08 0.00 0.00 29.97 30.75 3mee h ARG 125 CO 0.00 0.62 0.62 1.57 -1.07 0.00 0.00 179.97 181.70 3mee h LYS 126 N 0.96 0.26 0.00 0.04 2.10 -1.79 0.15 116.57 118.29 3mee h LYS 126 Ca 0.45 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 3mee h LYS 126 Cb 0.42 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 3mee h LYS 126 CO -0.21 0.17 0.00 0.66 -2.00 0.00 0.00 179.45 178.07 3mee n TYR 127 N -4.44 0.00 0.15 0.07 4.01 -0.59 -2.81 117.16 113.55 3mee n TYR 127 Ca 0.19 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 58.04 3mee n TYR 127 Cb 0.80 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 40.03 3mee n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3mee n THR 128 N -0.91 0.60 -1.64 -0.72 -2.24 0.53 -4.70 114.28 105.20 3mee n THR 128 Ca 0.18 -0.80 -0.47 0.00 -2.27 0.00 0.00 64.05 60.69 3mee n THR 128 Cb 0.08 0.87 -0.04 0.00 -2.10 0.00 0.00 70.33 69.14 3mee n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mee n ALA 129 N 1.26 0.40 -2.25 6.98 0.00 -1.13 -4.40 120.51 121.39 3mee n ALA 129 Ca 0.17 0.45 -0.14 0.00 0.00 0.00 0.00 53.44 53.93 3mee n ALA 129 Cb 0.54 -2.21 -0.10 0.00 0.00 0.00 0.00 19.45 17.69 3mee n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3mee s PHE 130 N 0.29 1.26 -0.09 0.00 -0.71 0.02 -1.09 117.98 117.66 3mee s PHE 130 Ca 0.75 -1.14 0.00 0.00 -1.04 0.00 0.00 56.93 55.51 3mee s PHE 130 Cb -0.76 -0.71 0.02 0.00 -1.21 0.00 0.00 43.02 40.36 3mee s PHE 130 CO 0.46 -0.34 -0.07 0.99 -1.34 0.00 0.00 175.22 174.93 3mee s THR 131 N -3.79 0.87 -0.31 -4.49 2.01 -1.26 -1.26 115.64 107.42 3mee s THR 131 Ca 0.30 -0.24 -0.27 0.00 0.31 0.00 0.00 61.69 61.79 3mee s THR 131 Cb 0.07 -0.89 0.01 0.00 0.01 0.00 0.00 72.50 71.70 3mee s THR 131 CO 0.07 0.33 0.95 -0.63 -0.69 0.00 0.00 174.62 174.65 3mee s ILE 132 N 1.39 4.65 0.37 1.82 1.01 0.12 -4.65 121.20 125.91 3mee s ILE 132 Ca -0.02 1.51 -0.26 0.00 0.00 0.00 0.00 60.65 61.88 3mee s ILE 132 Cb -0.13 -4.29 -0.09 0.00 0.01 0.00 0.00 42.46 37.96 3mee s ILE 132 CO -0.04 -0.36 1.17 -2.16 0.00 0.00 0.00 174.94 173.56 3mee s PRO 133 N 3.31 4.19 0.68 2.79 0.04 -1.26 -1.34 135.00 143.41 3mee s PRO 133 Ca 0.40 1.87 -0.11 0.00 0.04 0.00 0.00 61.00 63.20 3mee s PRO 133 Cb -0.13 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.61 3mee s PRO 133 CO 0.13 -0.22 1.06 -1.54 0.04 0.00 0.00 177.00 176.47 3mee s SER 134 N -1.02 5.51 0.27 6.66 1.04 -1.26 -4.90 113.70 119.99 3mee s SER 134 Ca 0.54 1.59 -0.30 0.00 0.48 0.00 0.00 55.95 58.26 3mee s SER 134 Cb -0.32 -2.49 -0.14 0.00 0.10 0.00 0.00 66.02 63.18 3mee s SER 134 CO 0.40 -1.36 1.25 -0.38 0.98 0.00 0.00 173.24 174.14 3mee n ILE 135 N -3.07 1.47 -1.32 -1.02 5.41 -1.26 0.20 119.36 119.77 3mee n ILE 135 Ca 0.07 -0.37 -0.11 0.00 1.00 0.00 0.00 62.75 63.35 3mee n ILE 135 Cb 0.54 -1.31 -0.05 0.00 -0.71 0.00 0.00 39.64 38.11 3mee n ILE 135 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3mee n ASN 136 N 1.54 -2.82 -4.18 4.38 3.02 -1.26 -1.75 115.26 114.18 3mee n ASN 136 Ca 0.10 0.26 -0.34 0.00 -0.03 0.00 0.00 54.58 54.57 3mee n ASN 136 Cb 0.32 -2.73 -0.03 0.00 -0.61 0.00 0.00 39.78 36.73 3mee n ASN 136 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3mee n ASN 137 N -0.23 -2.65 0.01 6.41 2.85 0.13 -4.88 115.26 116.89 3mee n ASN 137 Ca -0.11 -1.02 -0.21 0.00 -0.11 0.00 0.00 54.58 53.13 3mee n ASN 137 Cb 0.35 -2.77 -0.14 0.00 1.24 0.00 0.00 39.78 38.47 3mee n ASN 137 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 3mee h GLU 138 N -1.57 0.24 -6.08 1.20 4.57 -1.50 -3.48 114.58 107.97 3mee h GLU 138 Ca -0.60 -0.41 -0.54 0.00 -1.18 0.00 0.00 59.36 56.63 3mee h GLU 138 Cb 1.38 0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 30.05 3mee h GLU 138 CO 0.75 1.20 -0.51 0.95 -1.18 0.00 0.00 179.01 180.21 3mee s THR 139 N -2.48 2.94 0.34 0.32 -4.23 -1.26 -5.08 115.64 106.18 3mee s THR 139 Ca -0.20 -1.65 -0.28 0.00 -1.18 0.00 0.00 61.69 58.38 3mee s THR 139 Cb 0.05 -3.00 -0.12 0.00 1.34 0.00 0.00 72.50 70.77 3mee s THR 139 CO 0.76 -0.14 1.39 -2.65 -0.54 0.00 0.00 174.62 173.44 3mee n PRO 140 N -1.21 2.35 -2.01 3.99 -0.02 -1.26 -4.12 135.00 132.72 3mee n PRO 140 Ca -0.02 0.83 -0.28 0.00 -2.02 0.00 0.00 63.50 62.00 3mee n PRO 140 Cb 0.62 -2.48 0.13 0.00 -0.02 0.00 0.00 33.50 31.75 3mee n PRO 140 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3mee s GLY 141 N -0.13 1.71 -0.24 -1.23 0.00 -1.26 -4.67 107.32 101.50 3mee s GLY 141 Ca 0.57 -1.03 -0.20 0.00 0.00 0.00 0.00 44.72 44.06 3mee s GLY 141 CO 0.60 -0.42 0.59 -0.42 0.00 0.00 0.00 173.10 173.45 3mee s ILE 142 N -3.64 5.03 -0.13 0.90 1.01 -0.45 -4.87 121.20 119.05 3mee s ILE 142 Ca 0.68 1.05 -0.05 0.00 0.00 0.00 0.00 60.65 62.33 3mee s ILE 142 Cb -0.07 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 3mee s ILE 142 CO 0.50 0.08 0.06 -0.13 0.00 0.00 0.00 174.94 175.45 3mee s ARG 143 N 2.24 3.49 0.11 2.79 0.52 -1.26 -0.70 118.95 126.14 3mee s ARG 143 Ca 0.25 -0.31 0.03 0.00 -0.52 0.00 0.00 55.73 55.18 3mee s ARG 143 Cb -0.16 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 3mee s ARG 143 CO 0.09 0.56 -0.08 0.71 0.02 0.00 0.00 175.30 176.60 3mee s TYR 144 N -0.44 1.02 0.07 -0.53 2.02 -0.39 -1.29 117.35 117.81 3mee s TYR 144 Ca 0.10 -0.80 0.04 0.00 -0.37 0.00 0.00 57.07 56.04 3mee s TYR 144 Cb -0.12 -0.56 -0.03 0.00 -0.40 0.00 0.00 41.96 40.85 3mee s TYR 144 CO 0.02 -0.05 -0.11 1.14 -1.57 0.00 0.00 175.55 174.98 3mee s GLN 145 N -3.49 0.74 0.44 -0.62 -2.07 -0.12 -0.80 119.66 113.75 3mee s GLN 145 Ca 0.11 -0.97 -0.23 0.00 -1.82 0.00 0.00 55.36 52.45 3mee s GLN 145 Cb 0.02 -0.55 -0.08 0.00 -1.09 0.00 0.00 33.01 31.31 3mee s GLN 145 CO -0.02 0.10 1.07 0.71 -1.32 0.00 0.00 175.29 175.84 3mee s TYR 146 N -1.75 3.08 -0.10 9.60 2.02 -1.26 -0.90 117.35 128.03 3mee s TYR 146 Ca -0.02 1.60 0.05 0.00 -0.37 0.00 0.00 57.07 58.33 3mee s TYR 146 Cb -0.07 -3.17 -0.07 0.00 -0.40 0.00 0.00 41.96 38.25 3mee s TYR 146 CO 0.01 -0.91 0.16 0.09 -1.57 0.00 0.00 175.55 173.33 3mee n ASN 147 N -0.46 2.38 -4.32 2.29 3.02 -0.02 -4.70 115.26 113.46 3mee n ASN 147 Ca 0.07 -0.25 -0.27 0.00 -0.03 0.00 0.00 54.58 54.11 3mee n ASN 147 Cb 0.50 1.15 -0.05 0.00 -0.61 0.00 0.00 39.78 40.77 3mee n ASN 147 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3mee n VAL 148 N -1.46 0.00 -2.12 2.41 0.24 -1.20 -0.09 118.33 116.10 3mee n VAL 148 Ca -0.00 -2.01 -0.43 0.00 -2.04 0.00 0.00 64.34 59.86 3mee n VAL 148 Cb 0.12 0.31 -0.02 0.00 -1.47 0.00 0.00 33.84 32.77 3mee n VAL 148 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3mee s LEU 149 N 0.00 3.64 0.54 1.34 1.43 -0.56 -4.52 118.68 120.56 3mee s LEU 149 Ca 0.05 1.28 -0.20 0.00 -1.03 0.00 0.00 54.13 54.23 3mee s LEU 149 Cb -0.00 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 3mee s LEU 149 CO 0.03 -1.50 1.19 -2.84 0.23 0.00 0.00 176.35 173.46 3mee s PRO 150 N 5.17 3.30 0.08 1.29 0.02 -1.26 -4.02 135.00 139.57 3mee s PRO 150 Ca 0.73 1.78 -0.31 0.00 0.02 0.00 0.00 61.00 63.22 3mee s PRO 150 Cb -0.21 -2.09 -0.06 0.00 0.02 0.00 0.00 34.50 32.15 3mee s PRO 150 CO 0.32 -0.94 1.25 -0.65 -0.33 0.00 0.00 177.00 176.66 3mee s GLN 151 N -3.13 4.40 0.00 5.54 -0.21 -1.26 -3.50 119.66 121.50 3mee s GLN 151 Ca 0.72 1.86 0.00 0.00 0.02 0.00 0.00 55.36 57.96 3mee s GLN 151 Cb -0.29 -3.31 0.00 0.00 1.00 0.00 0.00 33.01 30.41 3mee s GLN 151 CO 0.33 -0.30 0.00 0.41 -2.12 0.00 0.00 175.29 173.60 3mee n GLY 152 N 3.26 1.91 3.78 3.09 0.00 -1.26 -4.77 105.19 111.20 3mee n GLY 152 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 3mee n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3mee s TRP 153 N -2.40 3.52 0.28 1.61 -0.00 -1.23 -4.74 118.94 115.97 3mee s TRP 153 Ca 0.00 1.72 0.01 0.00 -0.00 0.00 0.00 56.10 57.83 3mee s TRP 153 Cb 0.00 -3.00 0.64 0.00 -0.00 0.00 0.00 33.47 31.10 3mee s TRP 153 CO 0.00 -0.13 1.70 -0.22 -0.00 0.00 0.00 176.95 178.30 3mee h LYS 154 N 2.89 0.40 -0.01 5.86 3.64 -1.92 -2.64 116.57 124.78 3mee h LYS 154 Ca -0.47 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3mee h LYS 154 Cb 1.20 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3mee h LYS 154 CO 0.64 0.26 -0.03 0.41 -2.27 0.00 0.00 179.45 178.46 3mee n GLY 155 N -1.34 -0.34 0.15 5.01 0.00 -1.26 -4.37 105.19 103.04 3mee n GLY 155 Ca 0.19 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 3mee n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3mee h SER 156 N 1.62 0.53 -0.80 1.61 0.02 -1.76 -2.30 113.55 112.47 3mee h SER 156 Ca 0.00 -0.66 0.08 0.00 -0.84 0.00 0.00 61.79 60.36 3mee h SER 156 Cb 0.38 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.70 3mee h SER 156 CO 0.00 1.11 0.46 -0.65 -1.14 0.00 0.00 176.83 176.61 3mee h PRO 157 N -0.01 0.78 0.07 3.45 0.11 -1.80 -0.84 132.00 133.76 3mee h PRO 157 Ca -0.04 -0.05 -0.27 0.00 0.11 0.00 0.00 66.00 65.76 3mee h PRO 157 Cb 1.11 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 32.06 3mee h PRO 157 CO 0.09 0.52 -1.12 0.00 -0.21 0.00 0.00 178.00 177.28 3mee h ALA 158 N 1.42 0.16 -0.07 -0.75 0.00 -1.84 -2.42 119.26 115.76 3mee h ALA 158 Ca 0.37 -0.76 -0.20 0.00 0.00 0.00 0.00 54.91 54.32 3mee h ALA 158 Cb 0.28 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3mee h ALA 158 CO -0.22 0.78 -0.78 0.82 0.00 0.00 0.00 179.25 179.86 3mee h ILE 159 N 0.24 1.37 0.08 0.00 2.04 -1.33 -2.08 117.51 117.83 3mee h ILE 159 Ca -0.13 -2.18 0.01 0.00 1.00 0.00 0.00 64.86 63.55 3mee h ILE 159 Cb 1.78 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 40.01 3mee h ILE 159 CO 0.20 0.66 -0.10 0.15 0.00 0.00 0.00 178.15 179.06 3mee h PHE 160 N 0.31 -0.25 -0.73 1.37 3.57 -1.18 -0.40 116.94 119.63 3mee h PHE 160 Ca -0.04 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3mee h PHE 160 Cb 1.38 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 40.19 3mee h PHE 160 CO 0.05 -0.15 0.39 1.96 -2.23 0.00 0.00 178.31 178.33 3mee h GLN 161 N -0.21 1.02 -0.74 1.11 1.08 -1.39 -0.16 115.11 115.82 3mee h GLN 161 Ca 0.01 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.05 3mee h GLN 161 Cb 0.21 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 3mee h GLN 161 CO -0.04 0.77 0.34 1.03 -0.95 0.00 0.00 178.83 179.97 3mee h SER 162 N 1.01 0.98 -0.57 1.46 0.87 -1.30 0.31 113.55 116.32 3mee h SER 162 Ca 0.26 -0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 3mee h SER 162 Cb 0.05 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 3mee h SER 162 CO -0.04 0.86 0.15 0.28 -0.53 0.00 0.00 176.83 177.55 3mee h SER 163 N 1.04 0.85 -0.03 6.23 0.02 -0.34 -0.15 113.55 121.17 3mee h SER 163 Ca 0.25 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3mee h SER 163 Cb 0.15 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 3mee h SER 163 CO -0.03 0.85 0.01 -0.03 -1.14 0.00 0.00 176.83 176.49 3mee h MET 164 N 0.81 0.04 -0.74 3.45 -1.53 -0.71 -0.35 114.93 115.90 3mee h MET 164 Ca 0.18 -0.01 0.09 0.00 -3.44 0.00 0.00 59.70 56.52 3mee h MET 164 Cb 0.32 -0.01 -0.07 0.00 -0.55 0.00 0.00 31.60 31.29 3mee h MET 164 CO -0.00 0.22 0.40 1.15 0.14 0.00 0.00 176.91 178.81 3mee h THR 165 N -0.14 0.89 -0.34 -0.77 2.02 -0.66 0.12 112.91 114.02 3mee h THR 165 Ca 0.01 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 3mee h THR 165 Cb 0.19 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 3mee h THR 165 CO -0.00 0.12 0.11 0.50 0.37 0.00 0.00 175.52 176.62 3mee h LYS 166 N 0.68 0.53 -1.00 6.66 3.64 -0.83 -2.33 116.57 123.92 3mee h LYS 166 Ca 0.36 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 3mee h LYS 166 Cb 0.34 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.02 3mee h LYS 166 CO -0.25 0.56 0.65 0.82 -2.27 0.00 0.00 179.45 178.96 3mee h ILE 167 N 0.40 1.14 0.00 2.00 1.08 -0.04 -2.88 117.51 119.21 3mee h ILE 167 Ca 0.11 -0.42 -0.05 0.00 -0.39 0.00 0.00 64.86 64.10 3mee h ILE 167 Cb 0.24 -0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 33.79 3mee h ILE 167 CO -0.00 0.23 -0.25 -0.07 -0.69 0.00 0.00 178.15 177.36 3mee h LEU 168 N 1.23 0.00 -0.64 1.44 3.38 -0.53 -3.36 115.31 116.83 3mee h LEU 168 Ca 0.41 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.48 3mee h LEU 168 Cb 0.07 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 3mee h LEU 168 CO -0.14 0.25 0.25 -0.08 0.09 0.00 0.00 178.44 178.81 3mee h GLU 169 N 0.00 0.43 -0.43 1.13 4.57 -1.19 0.31 114.58 119.39 3mee h GLU 169 Ca -0.00 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 3mee h GLU 169 Cb 0.98 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.44 3mee h GLU 169 CO 0.03 0.28 0.21 -1.35 -1.18 0.00 0.00 179.01 177.00 3mee h PRO 170 N 0.44 0.40 -0.41 0.92 0.11 -1.77 -0.15 132.00 131.54 3mee h PRO 170 Ca 0.32 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.41 3mee h PRO 170 Cb 0.40 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 3mee h PRO 170 CO -0.31 0.27 0.25 0.35 -0.21 0.00 0.00 178.00 178.35 3mee h PHE 171 N 0.42 0.54 -0.74 0.65 3.04 -1.25 -1.28 116.94 118.32 3mee h PHE 171 Ca 0.19 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.15 3mee h PHE 171 Cb 0.10 -0.18 -0.04 0.00 2.56 0.00 0.00 35.95 38.39 3mee h PHE 171 CO -0.11 0.38 0.49 0.00 -2.02 0.00 0.00 178.31 177.05 3mee h ARG 172 N 0.55 0.95 -0.02 1.11 3.08 -0.83 -1.16 114.38 118.06 3mee h ARG 172 Ca 0.15 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 3mee h ARG 172 Cb -0.01 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 3mee h ARG 172 CO -0.03 0.63 -0.28 -0.22 -1.07 0.00 0.00 179.97 179.00 3mee h LYS 173 N 0.98 0.04 -0.06 0.04 3.64 -0.08 -0.89 116.57 120.24 3mee h LYS 173 Ca 0.28 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3mee h LYS 173 Cb -0.08 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3mee h LYS 173 CO -0.07 0.33 0.00 1.04 -2.27 0.00 0.00 179.45 178.47 3mee n GLN 174 N -4.19 2.09 -3.06 1.90 6.02 -0.57 -4.47 117.38 115.09 3mee n GLN 174 Ca -0.02 -1.59 -0.16 0.00 -0.01 0.00 0.00 57.00 55.22 3mee n GLN 174 Cb 0.34 -1.47 -0.00 0.00 1.02 0.00 0.00 30.24 30.13 3mee n GLN 174 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3mee n ASN 175 N 0.91 0.31 0.23 1.08 3.02 -0.37 -4.96 115.26 115.48 3mee n ASN 175 Ca 0.16 -3.09 0.06 0.00 -0.03 0.00 0.00 54.58 51.69 3mee n ASN 175 Cb 0.50 -0.17 0.53 0.00 -0.61 0.00 0.00 39.78 40.04 3mee n ASN 175 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3mee h PRO 176 N 2.98 0.00 0.00 3.52 0.13 -1.69 -2.04 132.00 134.90 3mee h PRO 176 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3mee h PRO 176 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3mee h PRO 176 CO 0.43 0.18 0.00 -0.25 -0.23 0.00 0.00 178.00 178.13 3mee n ASP 177 N -4.21 0.69 -4.85 1.44 9.92 -1.26 -4.75 116.55 113.53 3mee n ASP 177 Ca -0.02 0.69 -0.33 0.00 -0.53 0.00 0.00 54.79 54.60 3mee n ASP 177 Cb 0.25 -0.83 -0.06 0.00 -0.64 0.00 0.00 41.12 39.84 3mee n ASP 177 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3mee s ILE 178 N -3.38 5.12 -0.06 0.53 1.01 -0.77 -4.69 121.20 118.97 3mee s ILE 178 Ca 0.03 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.47 3mee s ILE 178 Cb 0.09 -3.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 3mee s ILE 178 CO 0.37 0.34 -0.22 0.54 0.00 0.00 0.00 174.94 175.97 3mee s VAL 179 N -1.26 2.31 -0.02 2.92 0.11 -0.40 -4.98 120.40 119.07 3mee s VAL 179 Ca 0.25 -0.98 0.00 0.00 -2.93 0.00 0.00 61.98 58.32 3mee s VAL 179 Cb -0.12 -1.86 0.02 0.00 -1.53 0.00 0.00 36.38 32.89 3mee s VAL 179 CO 0.16 0.57 0.01 -0.63 -3.33 0.00 0.00 175.10 171.88 3mee s ILE 180 N -0.25 0.04 -0.09 7.04 1.01 -1.26 0.33 121.20 128.01 3mee s ILE 180 Ca -0.01 0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.80 3mee s ILE 180 Cb -0.13 -0.13 0.00 0.00 0.01 0.00 0.00 42.46 42.21 3mee s ILE 180 CO 0.03 0.09 -0.21 -0.47 0.00 0.00 0.00 174.94 174.38 3mee s TYR 181 N 0.83 2.27 -0.31 3.97 5.04 0.00 -4.96 117.35 124.20 3mee s TYR 181 Ca -0.07 -0.94 -0.16 0.00 -2.44 0.00 0.00 57.07 53.46 3mee s TYR 181 Cb -0.11 -1.55 -0.02 0.00 0.35 0.00 0.00 41.96 40.63 3mee s TYR 181 CO -0.02 -0.40 0.43 -0.65 -1.34 0.00 0.00 175.55 173.57 3mee s GLN 182 N 0.48 3.82 -0.10 4.97 -0.21 -1.26 -1.52 119.66 125.84 3mee s GLN 182 Ca -0.17 -0.08 -0.01 0.00 0.02 0.00 0.00 55.36 55.13 3mee s GLN 182 Cb -0.17 -3.73 0.03 0.00 1.00 0.00 0.00 33.01 30.14 3mee s GLN 182 CO 0.07 -0.44 -0.04 -0.47 -2.12 0.00 0.00 175.29 172.29 3mee s TYR 183 N 2.17 1.14 0.00 0.91 5.04 -0.88 -5.02 117.35 120.72 3mee s TYR 183 Ca 0.16 -0.50 0.00 0.00 -2.44 0.00 0.00 57.07 54.29 3mee s TYR 183 Cb -0.16 -1.05 0.00 0.00 0.35 0.00 0.00 41.96 41.10 3mee s TYR 183 CO 0.11 -0.44 0.00 -1.33 -1.34 0.00 0.00 175.55 172.55 3mee n MET 184 N 5.03 0.00 -0.98 4.97 2.81 -1.26 -0.79 117.12 126.89 3mee n MET 184 Ca -0.10 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.77 3mee n MET 184 Cb 0.50 0.00 0.34 0.00 -0.71 0.00 0.00 33.22 33.35 3mee n MET 184 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3mee n ASP 185 N 4.56 5.11 -4.62 7.83 5.68 -1.26 -4.93 116.55 128.92 3mee n ASP 185 Ca 0.00 -3.14 -0.31 0.00 -0.50 0.00 0.00 54.79 50.84 3mee n ASP 185 Cb 0.00 -0.73 -0.09 0.00 -1.14 0.00 0.00 41.12 39.16 3mee n ASP 185 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 3mee s ASP 186 N -0.98 4.71 -0.07 -1.12 1.01 0.03 -1.58 116.67 118.66 3mee s ASP 186 Ca 0.55 -0.22 0.03 0.00 0.71 0.00 0.00 52.55 53.62 3mee s ASP 186 Cb 0.43 -1.06 0.01 0.00 1.01 0.00 0.00 42.92 43.31 3mee s ASP 186 CO 0.14 0.22 -0.16 -0.76 0.21 0.00 0.00 175.17 174.82 3mee s LEU 187 N -1.95 1.81 -0.07 1.23 1.43 -0.42 -2.07 118.68 118.64 3mee s LEU 187 Ca 0.21 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 3mee s LEU 187 Cb -0.11 -1.00 -0.02 0.00 0.03 0.00 0.00 46.19 45.08 3mee s LEU 187 CO 0.13 0.09 -0.15 -0.31 0.23 0.00 0.00 176.35 176.34 3mee s TYR 188 N 0.45 2.70 -0.11 0.29 1.51 -0.58 -0.21 117.35 121.40 3mee s TYR 188 Ca -0.13 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 3mee s TYR 188 Cb -0.15 -1.67 0.02 0.00 -0.11 0.00 0.00 41.96 40.05 3mee s TYR 188 CO 0.05 0.08 -0.11 0.08 -1.11 0.00 0.00 175.55 174.54 3mee s VAL 189 N -0.48 1.22 0.02 0.71 1.01 0.16 -0.82 120.40 122.22 3mee s VAL 189 Ca 0.06 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3mee s VAL 189 Cb -0.12 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3mee s VAL 189 CO 0.02 0.40 -0.06 -0.83 0.00 0.00 0.00 175.10 174.62 3mee s GLY 190 N 1.42 1.78 0.06 4.51 0.00 0.15 -1.26 107.32 113.98 3mee s GLY 190 Ca 0.01 -1.04 -0.04 0.00 0.00 0.00 0.00 44.72 43.65 3mee s GLY 190 CO -0.06 -0.92 0.06 -1.35 0.00 0.00 0.00 173.10 170.83 3mee s SER 191 N -1.57 0.32 -0.43 1.64 1.04 0.15 -1.28 113.70 113.58 3mee s SER 191 Ca 0.18 -0.83 0.05 0.00 0.48 0.00 0.00 55.95 55.83 3mee s SER 191 Cb -0.11 0.25 0.65 0.00 0.10 0.00 0.00 66.02 66.92 3mee s SER 191 CO 0.09 -0.64 1.86 0.47 0.98 0.00 0.00 173.24 176.00 3mee n ASP 192 N 0.11 3.63 -4.94 7.02 8.00 -1.26 -1.38 116.55 127.73 3mee n ASP 192 Ca -0.15 -3.62 -0.25 0.00 0.71 0.00 0.00 54.79 51.49 3mee n ASP 192 Cb 0.61 -0.81 -0.02 0.00 -0.02 0.00 0.00 41.12 40.88 3mee n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3mee s LEU 193 N -3.28 4.09 0.59 0.64 1.02 -1.26 -4.84 118.68 115.63 3mee s LEU 193 Ca 0.55 0.44 -0.13 0.00 0.02 0.00 0.00 54.13 55.02 3mee s LEU 193 Cb 0.47 -3.27 -0.05 0.00 0.02 0.00 0.00 46.19 43.36 3mee s LEU 193 CO 0.10 -0.21 1.02 -1.61 0.02 0.00 0.00 176.35 175.66 3mee s GLU 194 N -4.00 3.69 0.52 1.70 8.01 -1.26 -4.21 118.70 123.15 3mee s GLU 194 Ca 0.40 0.82 0.41 0.00 0.01 0.00 0.00 54.97 56.60 3mee s GLU 194 Cb -0.10 -2.09 1.60 0.00 -4.31 0.00 0.00 34.13 29.22 3mee s GLU 194 CO 0.33 -0.49 1.65 0.82 0.01 0.00 0.00 175.26 177.58 3mee h ILE 195 N 0.05 0.15 0.31 -1.63 2.04 -1.99 -1.99 117.51 114.46 3mee h ILE 195 Ca -0.45 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3mee h ILE 195 Cb 1.19 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3mee h ILE 195 CO 0.62 0.01 -0.15 1.23 0.00 0.00 0.00 178.15 179.85 3mee h GLY 196 N 0.03 -0.43 2.00 5.37 0.00 -2.00 -2.62 103.07 105.43 3mee h GLY 196 Ca 0.80 0.16 -0.08 0.00 0.00 0.00 0.00 47.33 48.22 3mee h GLY 196 CO -0.12 -0.16 -0.36 1.46 0.00 0.00 0.00 176.54 177.36 3mee h GLN 197 N -1.05 0.00 -0.42 4.80 4.20 -1.77 -2.57 115.11 118.30 3mee h GLN 197 Ca -0.04 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 3mee h GLN 197 Cb 0.42 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3mee h GLN 197 CO 0.07 0.36 -0.04 1.25 -0.67 0.00 0.00 178.83 179.80 3mee h HIS 198 N 0.00 0.85 -0.12 2.96 2.76 -1.47 0.15 115.15 120.27 3mee h HIS 198 Ca -0.00 -0.16 -0.03 0.00 -2.20 0.00 0.00 60.37 57.97 3mee h HIS 198 Cb 0.82 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 3mee h HIS 198 CO 0.00 0.86 -0.08 -0.09 -1.30 0.00 0.00 177.93 177.32 3mee h ARG 199 N 0.59 0.18 0.01 5.26 9.65 -1.24 -0.90 114.38 127.93 3mee h ARG 199 Ca 0.11 -0.03 -0.23 0.00 -1.10 0.00 0.00 59.98 58.74 3mee h ARG 199 Cb 0.55 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 3mee h ARG 199 CO 0.03 0.27 -0.95 1.15 2.80 0.00 0.00 179.97 183.27 3mee h THR 200 N 0.17 1.41 -0.08 0.20 2.02 -0.97 -2.79 112.91 112.87 3mee h THR 200 Ca 0.04 -2.47 -0.15 0.00 0.77 0.00 0.00 66.41 64.60 3mee h THR 200 Cb 0.26 2.44 -0.01 0.00 -1.74 0.00 0.00 68.15 69.10 3mee h THR 200 CO 0.01 0.74 -0.61 0.11 0.37 0.00 0.00 175.52 176.14 3mee h LYS 201 N 0.22 0.27 -0.24 6.66 1.79 -0.24 -2.72 116.57 122.31 3mee h LYS 201 Ca -0.08 -0.19 -0.04 0.00 -2.18 0.00 0.00 60.65 58.16 3mee h LYS 201 Cb 1.59 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.25 3mee h LYS 201 CO 0.16 0.80 -0.04 0.82 -1.08 0.00 0.00 179.45 180.11 3mee h ILE 202 N 0.20 1.17 0.06 1.86 2.04 -1.13 -2.31 117.51 119.40 3mee h ILE 202 Ca -0.01 -0.69 -0.26 0.00 1.00 0.00 0.00 64.86 64.90 3mee h ILE 202 Cb 1.12 1.03 0.02 0.00 -0.74 0.00 0.00 36.82 38.24 3mee h ILE 202 CO 0.10 0.23 -1.11 -0.33 0.00 0.00 0.00 178.15 177.04 3mee h GLU 203 N 0.35 0.52 -0.24 2.37 4.39 -1.22 -1.14 114.58 119.62 3mee h GLU 203 Ca 0.08 -0.63 -0.02 0.00 0.34 0.00 0.00 59.36 59.12 3mee h GLU 203 Cb 0.30 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3mee h GLU 203 CO 0.01 1.25 0.04 0.93 -1.16 0.00 0.00 179.01 180.09 3mee h GLU 204 N 0.25 0.34 -0.06 2.33 5.08 -1.34 0.12 114.58 121.31 3mee h GLU 204 Ca -0.13 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.08 3mee h GLU 204 Cb 1.77 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.96 3mee h GLU 204 CO 0.20 0.34 -0.36 1.25 -1.00 0.00 0.00 179.01 179.43 3mee h LEU 205 N 0.34 0.42 -0.58 1.33 7.12 -1.31 -0.05 115.31 122.58 3mee h LEU 205 Ca 0.08 -0.68 0.07 0.00 0.13 0.00 0.00 57.88 57.48 3mee h LEU 205 Cb 0.17 -0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 40.11 3mee h LEU 205 CO -0.00 1.03 0.27 0.03 -0.13 0.00 0.00 178.44 179.64 3mee h ARG 206 N -0.16 0.49 -0.56 1.25 3.08 -0.93 0.20 114.38 117.75 3mee h ARG 206 Ca -0.03 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3mee h ARG 206 Cb 1.03 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 3mee h ARG 206 CO 0.07 0.32 0.23 1.96 -1.07 0.00 0.00 179.97 181.49 3mee h GLN 207 N 0.50 0.80 -0.11 0.04 1.08 -0.70 0.16 115.11 116.89 3mee h GLN 207 Ca 0.27 -0.12 -0.14 0.00 -1.45 0.00 0.00 58.65 57.22 3mee h GLN 207 Cb 0.25 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 3mee h GLN 207 CO -0.22 0.66 -0.55 1.25 -0.95 0.00 0.00 178.83 179.02 3mee h HIS 208 N 0.80 0.39 0.03 2.96 2.76 0.08 -0.77 115.15 121.40 3mee h HIS 208 Ca 0.19 -0.14 -0.25 0.00 -2.20 0.00 0.00 60.37 57.97 3mee h HIS 208 Cb 0.15 -0.07 0.01 0.00 1.55 0.00 0.00 27.41 29.04 3mee h HIS 208 CO 0.01 0.79 -1.04 -0.07 -1.30 0.00 0.00 177.93 176.32 3mee h LEU 209 N 0.24 0.66 -0.62 0.26 4.07 0.08 -3.07 115.31 116.93 3mee h LEU 209 Ca 0.00 -0.56 -0.14 0.00 0.08 0.00 0.00 57.88 57.26 3mee h LEU 209 Cb 1.04 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.55 3mee h LEU 209 CO 0.09 1.37 -0.67 0.25 -1.08 0.00 0.00 178.44 178.40 3mee h LEU 210 N 0.26 0.00 -2.65 1.67 5.85 -0.49 -0.48 115.31 119.46 3mee h LEU 210 Ca -0.11 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3mee h LEU 210 Cb 1.70 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.73 3mee h LEU 210 CO 0.19 0.67 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.85 3mee h ARG 211 N 0.00 0.00 -0.33 1.25 2.43 -1.05 -2.73 114.38 113.96 3mee h ARG 211 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3mee h ARG 211 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3mee h ARG 211 CO 0.09 0.01 0.00 0.91 -1.51 0.00 0.00 179.97 179.47 3mee n TRP 212 N -3.34 0.50 0.00 2.20 7.02 -0.46 -4.86 117.44 118.51 3mee n TRP 212 Ca -0.03 -0.54 0.00 0.00 -1.02 0.00 0.00 57.50 55.91 3mee n TRP 212 Cb 0.10 -0.06 0.00 0.00 -2.42 0.00 0.00 31.31 28.94 3mee n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3mee n GLY 213 N 0.38 0.60 3.27 6.99 0.00 -0.94 -3.90 105.19 111.60 3mee n GLY 213 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3mee n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mee s LEU 214 N 0.00 3.40 0.24 0.99 1.43 -0.32 -4.30 118.68 120.13 3mee s LEU 214 Ca 0.00 -0.74 -0.13 0.00 -1.03 0.00 0.00 54.13 52.24 3mee s LEU 214 Cb 0.00 -1.76 -0.08 0.00 0.03 0.00 0.00 46.19 44.38 3mee s LEU 214 CO 0.00 -0.14 0.62 0.42 0.23 0.00 0.00 176.35 177.48 3mee s THR 215 N 1.41 4.82 0.14 5.49 -4.23 -1.26 -2.71 115.64 119.31 3mee s THR 215 Ca 0.02 0.72 -0.02 0.00 -1.18 0.00 0.00 61.69 61.24 3mee s THR 215 Cb -0.16 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 69.99 3mee s THR 215 CO -0.02 -0.04 0.08 0.42 -0.54 0.00 0.00 174.62 174.53 3mee s THR 216 N -1.79 0.09 0.30 3.99 -4.23 -1.26 -2.08 115.64 110.65 3mee s THR 216 Ca 0.48 -1.89 -0.29 0.00 -1.18 0.00 0.00 61.69 58.80 3mee s THR 216 Cb -0.12 -2.09 -0.11 0.00 1.34 0.00 0.00 72.50 71.53 3mee s THR 216 CO 0.20 -0.39 1.47 -2.84 -0.54 0.00 0.00 174.62 172.51 3mee s PRO 217 N -4.06 4.21 0.92 3.99 0.02 -1.25 -4.99 135.00 133.84 3mee s PRO 217 Ca 0.26 2.41 -0.11 0.00 0.02 0.00 0.00 61.00 63.58 3mee s PRO 217 Cb 0.07 -3.05 0.14 0.00 0.02 0.00 0.00 34.50 31.68 3mee s PRO 217 CO 0.03 -0.46 1.10 0.16 -0.33 0.00 0.00 177.00 177.50 3mee s ASP 218 N 0.17 3.08 0.08 2.53 -4.77 -1.26 -4.69 116.67 111.81 3mee s ASP 218 Ca 0.57 1.82 0.03 0.00 -3.30 0.00 0.00 52.55 51.68 3mee s ASP 218 Cb -0.44 -2.41 0.18 0.00 -1.09 0.00 0.00 42.92 39.16 3mee s ASP 218 CO 0.50 -2.94 0.93 1.17 0.70 0.00 0.00 175.17 175.53 3mee n LYS 219 N -4.10 0.02 -0.03 2.11 4.81 -1.26 0.89 118.16 120.60 3mee n LYS 219 Ca 0.09 0.37 -0.08 0.00 -0.87 0.00 0.00 58.31 57.82 3mee n LYS 219 Cb 0.53 -1.79 -0.14 0.00 0.02 0.00 0.00 35.03 33.65 3mee n LYS 219 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3mee n LYS 220 N -1.50 0.64 -0.12 1.64 4.81 -1.26 -4.47 118.16 117.90 3mee n LYS 220 Ca -0.00 0.25 0.12 0.00 -0.87 0.00 0.00 58.31 57.81 3mee n LYS 220 Cb 0.22 -1.76 0.19 0.00 0.02 0.00 0.00 35.03 33.71 3mee n LYS 220 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3mee n HIS 221 N -2.99 0.32 -2.51 5.64 8.25 0.26 -4.90 115.22 119.28 3mee n HIS 221 Ca -0.18 -0.16 -0.43 0.00 -0.26 0.00 0.00 57.72 56.69 3mee n HIS 221 Cb 1.05 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.13 3mee n HIS 221 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3mee s GLN 222 N -1.68 4.31 0.68 -0.41 -0.21 -1.19 -4.90 119.66 116.27 3mee s GLN 222 Ca 0.35 1.58 -0.17 0.00 0.02 0.00 0.00 55.36 57.14 3mee s GLN 222 Cb 0.22 -3.63 0.01 0.00 1.00 0.00 0.00 33.01 30.60 3mee s GLN 222 CO 0.31 -0.53 1.28 0.15 -2.12 0.00 0.00 175.29 174.38 3mee s LYS 223 N 2.72 2.37 0.20 2.91 1.02 -1.26 -4.92 119.74 122.78 3mee s LYS 223 Ca 0.53 2.01 -0.14 0.00 0.02 0.00 0.00 55.97 58.40 3mee s LYS 223 Cb -0.21 -1.83 -0.07 0.00 -0.52 0.00 0.00 37.83 35.19 3mee s LYS 223 CO 0.17 -1.73 0.59 -1.83 -0.92 0.00 0.00 175.35 171.63 3mee s GLU 224 N -3.52 3.96 0.69 1.68 -1.05 -1.26 -4.23 118.70 114.97 3mee s GLU 224 Ca 0.81 0.49 -0.16 0.00 -0.15 0.00 0.00 54.97 55.95 3mee s GLU 224 Cb -0.36 -2.79 0.02 0.00 -0.44 0.00 0.00 34.13 30.56 3mee s GLU 224 CO 0.42 0.39 1.22 -2.14 0.95 0.00 0.00 175.26 176.10 3mee s PRO 225 N -2.33 2.34 0.37 -4.83 0.02 -1.26 -4.36 135.00 124.96 3mee s PRO 225 Ca 0.43 1.82 -0.24 0.00 0.02 0.00 0.00 61.00 63.03 3mee s PRO 225 Cb -0.13 -1.85 -0.10 0.00 0.02 0.00 0.00 34.50 32.44 3mee s PRO 225 CO 0.20 -1.70 0.97 -1.25 -0.33 0.00 0.00 177.00 174.89 3mee s PRO 226 N -3.73 4.39 0.07 5.54 0.04 -1.26 -5.12 135.00 134.93 3mee s PRO 226 Ca 0.76 1.30 0.01 0.00 0.04 0.00 0.00 61.00 63.11 3mee s PRO 226 Cb -0.31 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 3mee s PRO 226 CO 0.42 0.10 0.19 -0.06 0.04 0.00 0.00 177.00 177.69 3mee s PHE 227 N -1.80 3.46 -0.08 0.56 0.08 -0.70 -4.90 117.98 114.60 3mee s PHE 227 Ca 0.55 0.21 -0.17 0.00 0.12 0.00 0.00 56.93 57.65 3mee s PHE 227 Cb -0.16 -1.73 -0.05 0.00 -0.57 0.00 0.00 43.02 40.51 3mee s PHE 227 CO 0.21 0.57 0.45 -0.51 -0.10 0.00 0.00 175.22 175.84 3mee s LEU 228 N -2.52 4.34 -0.25 -0.37 2.01 -1.26 -1.24 118.68 119.39 3mee s LEU 228 Ca 0.34 0.86 -0.10 0.00 0.01 0.00 0.00 54.13 55.23 3mee s LEU 228 Cb -0.13 -2.65 0.10 0.00 0.01 0.00 0.00 46.19 43.52 3mee s LEU 228 CO 0.27 0.11 0.56 0.86 1.01 0.00 0.00 176.35 179.16 3mee s TRP 229 N 0.04 -1.03 -1.26 0.29 -0.00 -0.21 -4.95 118.94 111.82 3mee s TRP 229 Ca 0.25 1.92 -0.09 0.00 -0.00 0.00 0.00 56.10 58.17 3mee s TRP 229 Cb -0.16 0.55 0.07 0.00 -0.00 0.00 0.00 33.47 33.94 3mee s TRP 229 CO 0.11 -0.54 0.46 -1.33 -0.00 0.00 0.00 176.95 175.65 3mee n MET 230 N 5.04 -3.26 -0.36 5.86 2.81 -1.26 -0.11 117.12 125.84 3mee n MET 230 Ca -0.14 0.46 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 3mee n MET 230 Cb 0.52 -5.15 0.00 0.00 -0.71 0.00 0.00 33.22 27.88 3mee n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3mee n GLY 231 N -1.14 0.71 3.63 3.03 0.00 -1.26 -5.06 105.19 105.10 3mee n GLY 231 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3mee n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mee s TYR 232 N -2.56 2.77 -0.34 1.61 2.02 0.85 -1.21 117.35 120.48 3mee s TYR 232 Ca 0.00 -0.17 -0.06 0.00 -0.37 0.00 0.00 57.07 56.47 3mee s TYR 232 Cb 0.00 -1.34 0.04 0.00 -0.40 0.00 0.00 41.96 40.26 3mee s TYR 232 CO 0.00 0.52 0.11 -2.00 -1.57 0.00 0.00 175.55 172.60 3mee s GLU 233 N -2.90 2.61 -0.19 -0.62 2.12 -0.07 -1.05 118.70 118.61 3mee s GLU 233 Ca 0.26 -1.19 -0.15 0.00 0.36 0.00 0.00 54.97 54.25 3mee s GLU 233 Cb -0.09 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 3mee s GLU 233 CO 0.17 -0.67 0.35 -0.51 -0.54 0.00 0.00 175.26 174.06 3mee s LEU 234 N 1.40 4.18 0.29 2.70 2.01 -0.37 -2.21 118.68 126.67 3mee s LEU 234 Ca -0.02 0.49 0.09 0.00 0.01 0.00 0.00 54.13 54.71 3mee s LEU 234 Cb -0.20 -2.45 -0.04 0.00 0.01 0.00 0.00 46.19 43.51 3mee s LEU 234 CO 0.03 -0.01 0.01 -1.00 1.01 0.00 0.00 176.35 176.39 3mee s HIS 235 N 1.02 2.66 0.57 0.29 3.76 0.09 -1.72 115.29 121.96 3mee s HIS 235 Ca 0.18 -0.28 0.25 0.00 -0.15 0.00 0.00 55.06 55.06 3mee s HIS 235 Cb -0.14 -1.29 1.61 0.00 1.11 0.00 0.00 32.58 33.87 3mee s HIS 235 CO 0.07 0.56 2.20 -1.35 -0.85 0.00 0.00 174.74 175.37 3mee h PRO 236 N 1.84 0.00 0.00 8.40 0.11 -1.92 -3.14 132.00 137.29 3mee h PRO 236 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3mee h PRO 236 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3mee h PRO 236 CO 0.62 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 3mee n ASP 237 N -4.09 0.65 -3.73 -2.05 3.85 -1.26 -1.88 116.55 108.03 3mee n ASP 237 Ca -0.02 -0.89 -0.09 0.00 -0.71 0.00 0.00 54.79 53.08 3mee n ASP 237 Cb 0.13 0.14 -0.03 0.00 -1.35 0.00 0.00 41.12 40.01 3mee n ASP 237 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3mee s LYS 238 N -0.14 1.49 0.03 0.11 -2.85 -1.19 -4.50 119.74 112.69 3mee s LYS 238 Ca 0.00 -0.86 -0.06 0.00 -1.00 0.00 0.00 55.97 54.05 3mee s LYS 238 Cb 0.00 0.55 -0.01 0.00 -2.06 0.00 0.00 37.83 36.32 3mee s LYS 238 CO 0.00 -0.65 0.12 1.67 0.10 0.00 0.00 175.35 176.58 3mee s TRP 239 N -3.87 0.14 0.34 1.78 1.48 -0.56 -0.73 118.94 117.52 3mee s TRP 239 Ca 0.09 -0.38 -0.06 0.00 -1.06 0.00 0.00 56.10 54.69 3mee s TRP 239 Cb -0.02 -0.10 0.01 0.00 -1.16 0.00 0.00 33.47 32.20 3mee s TRP 239 CO -0.01 -0.35 0.55 -0.08 -4.06 0.00 0.00 176.95 173.00 3mee s THR 240 N -2.23 0.00 0.48 0.66 -1.32 -0.94 0.92 115.64 113.22 3mee s THR 240 Ca -0.08 -1.45 -0.16 0.00 -1.21 0.00 0.00 61.69 58.79 3mee s THR 240 Cb -0.03 -2.65 -0.08 0.00 -1.51 0.00 0.00 72.50 68.22 3mee s THR 240 CO -0.03 0.00 0.93 0.68 -2.21 0.00 0.00 174.62 174.00 3mee s VAL 241 N -2.97 4.57 0.71 5.08 -7.23 -1.26 -0.89 120.40 118.41 3mee s VAL 241 Ca 0.26 1.13 -0.11 0.00 -1.81 0.00 0.00 61.98 61.46 3mee s VAL 241 Cb -0.01 -3.70 0.02 0.00 0.56 0.00 0.00 36.38 33.24 3mee s VAL 241 CO 0.17 -0.60 1.07 0.00 -0.31 0.00 0.00 175.10 175.43 3mee s GLN 242 N -3.89 2.82 0.17 4.82 -2.07 -0.35 -4.49 119.66 116.67 3mee s GLN 242 Ca 0.58 0.82 -0.33 0.00 -1.82 0.00 0.00 55.36 54.61 3mee s GLN 242 Cb -0.10 -1.99 -0.16 0.00 -1.09 0.00 0.00 33.01 29.68 3mee s GLN 242 CO 0.29 -1.15 1.20 -2.30 -1.32 0.00 0.00 175.29 172.01 3mee n PRO 243 N -3.15 1.25 -4.01 9.60 -0.02 -1.26 -4.95 135.00 132.47 3mee n PRO 243 Ca 0.07 0.45 -0.31 0.00 -2.02 0.00 0.00 63.50 61.69 3mee n PRO 243 Cb 0.54 -1.97 -0.15 0.00 -0.02 0.00 0.00 33.50 31.90 3mee n PRO 243 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mee s ILE 244 N -0.12 2.04 -0.40 4.25 1.01 -1.26 -5.09 121.20 121.63 3mee s ILE 244 Ca 0.74 -1.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.36 3mee s ILE 244 Cb -0.84 -2.36 0.02 0.00 0.01 0.00 0.00 42.46 39.29 3mee s ILE 244 CO 0.51 -0.34 0.28 0.54 0.00 0.00 0.00 174.94 175.93 3mee s VAL 245 N 1.09 5.14 -0.22 2.92 0.11 -1.26 -5.06 120.40 123.12 3mee s VAL 245 Ca 0.02 -0.65 -0.29 0.00 -2.93 0.00 0.00 61.98 58.13 3mee s VAL 245 Cb -0.19 -3.84 0.01 0.00 -1.53 0.00 0.00 36.38 30.82 3mee s VAL 245 CO -0.08 -0.27 1.01 -0.76 -3.33 0.00 0.00 175.10 171.67 3mee s LEU 246 N 1.66 4.12 0.59 2.54 1.43 -1.26 -5.01 118.68 122.74 3mee s LEU 246 Ca 0.05 1.36 -0.19 0.00 -1.03 0.00 0.00 54.13 54.31 3mee s LEU 246 Cb -0.19 -3.50 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 3mee s LEU 246 CO 0.09 -0.62 1.24 -2.16 0.23 0.00 0.00 176.35 175.14 3mee s PRO 247 N 3.01 2.98 -0.38 1.29 0.04 -1.26 -5.00 135.00 135.67 3mee s PRO 247 Ca 0.43 1.93 -0.17 0.00 0.04 0.00 0.00 61.00 63.23 3mee s PRO 247 Cb -0.15 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.39 3mee s PRO 247 CO 0.08 -1.23 0.46 -1.21 0.04 0.00 0.00 177.00 175.14 3mee s GLU 248 N -3.22 3.37 0.04 4.56 0.41 -1.26 -5.06 118.70 117.54 3mee s GLU 248 Ca 0.77 -0.47 -0.00 0.00 -0.41 0.00 0.00 54.97 54.85 3mee s GLU 248 Cb -0.33 -3.88 -0.03 0.00 -1.78 0.00 0.00 34.13 28.11 3mee s GLU 248 CO 0.37 -0.73 -0.03 0.15 -0.49 0.00 0.00 175.26 174.53 3mee s LYS 249 N 2.25 0.47 -0.00 1.61 1.02 -1.26 -5.03 119.74 118.80 3mee s LYS 249 Ca 0.15 -0.93 0.18 0.00 0.02 0.00 0.00 55.97 55.39 3mee s LYS 249 Cb -0.16 0.15 -0.19 0.00 -0.52 0.00 0.00 37.83 37.11 3mee s LYS 249 CO 0.14 -0.08 0.62 -0.25 -0.92 0.00 0.00 175.35 174.86 3mee n ASP 250 N 0.82 0.55 -3.96 2.83 10.43 -1.26 -4.89 116.55 121.08 3mee n ASP 250 Ca -0.19 0.24 -0.27 0.00 2.57 0.00 0.00 54.79 57.14 3mee n ASP 250 Cb 0.58 0.62 -0.17 0.00 1.84 0.00 0.00 41.12 44.00 3mee n ASP 250 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3mee s SER 251 N -5.51 2.25 -0.25 -2.24 0.01 -1.26 -4.99 113.70 101.71 3mee s SER 251 Ca -0.05 -0.35 -0.08 0.00 1.31 0.00 0.00 55.95 56.78 3mee s SER 251 Cb 0.09 -0.93 -0.03 0.00 0.21 0.00 0.00 66.02 65.36 3mee s SER 251 CO 0.83 -0.08 0.08 0.26 0.41 0.00 0.00 173.24 174.74 3mee s TRP 252 N 1.48 3.11 0.54 2.43 0.52 -1.26 -5.03 118.94 120.73 3mee s TRP 252 Ca 0.02 -0.33 -0.10 0.00 0.02 0.00 0.00 56.10 55.71 3mee s TRP 252 Cb -0.13 -2.24 -0.04 0.00 -1.15 0.00 0.00 33.47 29.90 3mee s TRP 252 CO -0.07 -0.30 0.92 0.95 0.02 0.00 0.00 176.95 178.47 3mee s THR 253 N 1.54 4.77 0.27 2.01 -4.23 -1.26 -0.13 115.64 118.60 3mee s THR 253 Ca 0.06 0.66 -0.01 0.00 -1.18 0.00 0.00 61.69 61.22 3mee s THR 253 Cb -0.15 -3.84 0.29 0.00 1.34 0.00 0.00 72.50 70.14 3mee s THR 253 CO 0.04 -0.95 1.65 0.58 -0.54 0.00 0.00 174.62 175.40 3mee h VAL 254 N 0.10 0.36 -0.57 2.29 2.07 -0.68 -0.67 116.25 119.16 3mee h VAL 254 Ca -0.46 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 3mee h VAL 254 Cb 1.19 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3mee h VAL 254 CO 0.62 0.04 0.26 -1.13 0.02 0.00 0.00 177.57 177.38 3mee h ASN 255 N 0.21 0.76 -0.98 0.57 -0.00 -1.64 -1.36 115.58 113.14 3mee h ASN 255 Ca 0.50 -0.14 0.08 0.00 -0.00 0.00 0.00 56.30 56.74 3mee h ASN 255 Cb 0.96 -0.20 -0.07 0.00 -0.00 0.00 0.00 38.32 39.01 3mee h ASN 255 CO -0.62 0.69 0.63 0.44 -0.00 0.00 0.00 177.43 178.56 3mee h ASP 256 N 0.78 0.98 -0.12 1.15 3.45 -1.48 -2.23 116.42 118.96 3mee h ASP 256 Ca 0.20 0.02 -0.21 0.00 0.43 0.00 0.00 57.03 57.47 3mee h ASP 256 Cb 0.14 -0.19 0.01 0.00 -0.56 0.00 0.00 39.33 38.74 3mee h ASP 256 CO -0.02 0.61 -0.74 0.40 -1.57 0.00 0.00 179.24 177.92 3mee h ILE 257 N 1.11 1.30 -0.20 0.35 2.04 -0.78 -1.65 117.51 119.68 3mee h ILE 257 Ca 0.44 -1.97 0.01 0.00 1.00 0.00 0.00 64.86 64.34 3mee h ILE 257 Cb 0.24 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 3mee h ILE 257 CO -0.20 0.61 0.09 1.56 0.00 0.00 0.00 178.15 180.22 3mee h GLN 258 N 0.39 0.19 -0.50 2.37 4.20 -1.12 0.18 115.11 120.83 3mee h GLN 258 Ca -0.06 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 3mee h GLN 258 Cb 1.38 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.09 3mee h GLN 258 CO 0.15 0.13 0.02 0.87 -0.67 0.00 0.00 178.83 179.33 3mee h LYS 259 N 0.20 0.83 -0.22 1.46 1.57 -1.41 0.59 116.57 119.58 3mee h LYS 259 Ca 0.08 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3mee h LYS 259 Cb 0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3mee h LYS 259 CO -0.07 0.82 0.03 1.25 -0.57 0.00 0.00 179.45 180.91 3mee h LEU 260 N 0.77 0.36 -1.38 2.94 5.85 -0.87 -1.32 115.31 121.67 3mee h LEU 260 Ca 0.15 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.69 3mee h LEU 260 Cb 0.44 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3mee h LEU 260 CO 0.02 0.53 0.49 0.58 -0.34 0.00 0.00 178.44 179.71 3mee h VAL 261 N 0.17 0.99 -0.25 1.05 2.07 -0.17 -1.22 116.25 118.89 3mee h VAL 261 Ca 0.07 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3mee h VAL 261 Cb 0.33 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3mee h VAL 261 CO 0.00 0.13 -0.05 1.23 0.02 0.00 0.00 177.57 178.91 3mee h GLY 262 N 0.73 0.51 1.34 2.17 0.00 -0.45 -0.50 103.07 106.86 3mee h GLY 262 Ca 0.33 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 3mee h GLY 262 CO -0.11 0.38 0.05 0.50 0.00 0.00 0.00 176.54 177.35 3mee h LYS 263 N 0.22 0.81 -0.05 4.80 1.57 -0.96 -0.93 116.57 122.02 3mee h LYS 263 Ca 0.06 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 3mee h LYS 263 Cb 0.50 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3mee h LYS 263 CO 0.02 0.78 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.58 3mee h LEU 264 N 0.77 0.12 -0.95 2.94 4.07 -1.10 0.02 115.31 121.17 3mee h LEU 264 Ca 0.16 -0.45 0.15 0.00 0.08 0.00 0.00 57.88 57.81 3mee h LEU 264 Cb 0.39 -0.03 -0.09 0.00 1.08 0.00 0.00 40.66 42.01 3mee h LEU 264 CO 0.01 0.54 0.56 0.78 -1.08 0.00 0.00 178.44 179.26 3mee h ASN 265 N -0.31 0.77 -0.34 -0.43 2.35 -1.03 -1.12 115.58 115.47 3mee h ASN 265 Ca 0.01 0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 3mee h ASN 265 Cb 0.51 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3mee h ASN 265 CO 0.01 0.35 -0.14 -0.25 -1.65 0.00 0.00 177.43 175.75 3mee h TRP 266 N 0.82 0.80 0.00 1.19 2.91 -0.86 -2.97 115.95 117.83 3mee h TRP 266 Ca 0.51 -0.19 -0.02 0.00 1.13 0.00 0.00 58.89 60.31 3mee h TRP 266 Cb 0.65 -0.19 -0.00 0.00 -0.51 0.00 0.00 29.16 29.11 3mee h TRP 266 CO -0.03 0.89 -0.10 0.00 -1.03 0.00 0.00 178.44 178.17 3mee h ALA 267 N 0.79 1.11 0.00 2.65 0.00 -0.25 -2.85 119.26 120.71 3mee h ALA 267 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3mee h ALA 267 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3mee h ALA 267 CO 0.05 0.13 0.00 -1.13 0.00 0.00 0.00 179.25 178.30 3mee n SER 268 N -3.37 0.00 0.27 0.00 3.41 -0.49 -0.69 113.62 112.75 3mee n SER 268 Ca -0.01 0.01 0.15 0.00 -0.26 0.00 0.00 58.87 58.77 3mee n SER 268 Cb 0.29 -0.25 0.74 0.00 -0.26 0.00 0.00 64.21 64.73 3mee n SER 268 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3mee h GLN 269 N 0.00 0.00 0.00 4.33 4.20 -1.65 -3.12 115.11 118.87 3mee h GLN 269 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3mee h GLN 269 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3mee h GLN 269 CO 0.00 0.08 0.00 1.51 -0.67 0.00 0.00 178.83 179.75 3mee n ILE 270 N -3.34 0.00 -2.97 2.54 0.13 -0.72 0.46 119.36 115.45 3mee n ILE 270 Ca -0.01 0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.21 3mee n ILE 270 Cb 0.27 0.00 -0.05 0.00 -0.84 0.00 0.00 39.64 39.01 3mee n ILE 270 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 3mee s TYR 271 N -0.14 3.00 0.26 9.51 2.02 0.13 -4.70 117.35 127.43 3mee s TYR 271 Ca 0.00 0.14 -0.30 0.00 -0.37 0.00 0.00 57.07 56.55 3mee s TYR 271 Cb 0.00 -3.64 -0.10 0.00 -0.40 0.00 0.00 41.96 37.82 3mee s TYR 271 CO 0.00 -0.98 1.41 -1.25 -1.57 0.00 0.00 175.55 173.16 3mee s PRO 272 N 3.26 4.29 0.00 -1.71 0.04 -1.26 -3.58 135.00 136.04 3mee s PRO 272 Ca 0.29 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.61 3mee s PRO 272 Cb -0.12 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.31 3mee s PRO 272 CO 0.22 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.30 3mee n GLY 273 N 1.96 0.99 3.55 0.56 0.00 -1.26 -5.00 105.19 106.00 3mee n GLY 273 Ca 0.06 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.56 3mee n GLY 273 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3mee n ILE 274 N -2.00 0.49 -4.30 -0.61 2.08 -1.23 -4.99 119.36 108.80 3mee n ILE 274 Ca 0.00 -0.12 -0.19 0.00 0.56 0.00 0.00 62.75 63.00 3mee n ILE 274 Cb 0.00 -0.61 -0.13 0.00 -0.75 0.00 0.00 39.64 38.15 3mee n ILE 274 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 3mee s LYS 275 N -0.06 0.88 0.00 0.38 -2.85 -1.26 -5.01 119.74 111.83 3mee s LYS 275 Ca 0.80 -0.79 0.00 0.00 -1.00 0.00 0.00 55.97 54.98 3mee s LYS 275 Cb -0.98 -0.88 0.00 0.00 -2.06 0.00 0.00 37.83 33.92 3mee s LYS 275 CO 0.52 0.21 0.58 1.33 0.10 0.00 0.00 175.35 178.09 3mee n VAL 276 N 1.76 0.19 -0.08 1.79 0.24 -1.26 -4.87 118.33 116.10 3mee n VAL 276 Ca -0.19 -0.19 -0.07 0.00 -2.04 0.00 0.00 64.34 61.86 3mee n VAL 276 Cb 0.55 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 3mee n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3mee h ARG 277 N 0.00 0.11 -0.13 7.34 2.43 -1.98 0.18 114.38 122.34 3mee h ARG 277 Ca 0.00 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 3mee h ARG 277 Cb 0.89 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3mee h ARG 277 CO 0.00 0.08 -0.70 1.96 -1.51 0.00 0.00 179.97 179.80 3mee h GLN 278 N 0.12 0.58 -0.24 0.20 1.08 -1.89 -1.85 115.11 113.11 3mee h GLN 278 Ca 0.14 -0.44 -0.11 0.00 -1.45 0.00 0.00 58.65 56.80 3mee h GLN 278 Cb 0.18 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 3mee h GLN 278 CO -0.22 1.07 -0.30 -0.07 -0.95 0.00 0.00 178.83 178.35 3mee h LEU 279 N 0.41 0.49 -0.85 1.46 3.38 -1.82 -3.14 115.31 115.23 3mee h LEU 279 Ca -0.03 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 3mee h LEU 279 Cb 1.29 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3mee h LEU 279 CO 0.13 0.77 -0.48 0.00 0.09 0.00 0.00 178.44 178.95 3mee h LYS 281 N 0.00 0.05 -0.96 0.00 1.57 -1.30 -2.53 116.57 113.40 3mee h LYS 281 Ca -0.00 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3mee h LYS 281 Cb 0.99 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.25 3mee h LYS 281 CO 0.06 0.44 0.64 -0.07 -0.57 0.00 0.00 179.45 179.95 3mee h LEU 282 N 0.04 1.10 0.00 2.94 4.07 -1.54 -1.60 115.31 120.32 3mee h LEU 282 Ca 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3mee h LEU 282 Cb 0.72 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.19 3mee h LEU 282 CO 0.05 0.79 0.00 0.18 -1.08 0.00 0.00 178.44 178.38 3mee n LEU 283 N -4.42 0.00 -4.81 1.67 4.32 -0.95 -4.79 117.00 108.02 3mee n LEU 283 Ca 0.11 0.12 -0.33 0.00 -0.02 0.00 0.00 56.01 55.90 3mee n LEU 283 Cb 0.02 -0.12 -0.01 0.00 -1.62 0.00 0.00 43.42 41.69 3mee n LEU 283 CO 0.37 -0.07 0.71 -0.13 -1.22 0.00 0.00 177.39 177.05 3mee s ARG 284 N -2.24 3.54 3.92 3.23 0.52 -0.60 -4.54 118.95 122.78 3mee s ARG 284 Ca 0.17 1.18 0.00 0.00 -0.52 0.00 0.00 55.73 56.56 3mee s ARG 284 Cb 0.09 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.50 3mee s ARG 284 CO 0.17 -0.63 0.00 0.41 0.02 0.00 0.00 175.30 175.28 3mee n GLY 285 N -0.96 0.50 2.62 -3.53 0.00 -1.26 -4.79 105.19 97.76 3mee n GLY 285 Ca 0.08 -0.96 -0.04 0.00 0.00 0.00 0.00 46.02 45.10 3mee n GLY 285 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3mee n THR 286 N 0.00 0.00 -1.58 2.61 5.66 -1.26 -5.15 114.28 114.55 3mee n THR 286 Ca 0.00 -0.87 -0.26 0.00 -3.05 0.00 0.00 64.05 59.87 3mee n THR 286 Cb 0.00 0.70 0.19 0.00 -1.55 0.00 0.00 70.33 69.68 3mee n THR 286 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3mee n LYS 287 N -0.55 -1.64 -2.03 1.09 4.76 -1.26 -5.05 118.16 113.48 3mee n LYS 287 Ca -0.19 -1.74 -0.31 0.00 -2.87 0.00 0.00 58.31 53.20 3mee n LYS 287 Cb 0.70 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.62 3mee n LYS 287 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mee s ALA 288 N -3.71 3.12 0.35 7.82 0.00 -1.26 -4.98 121.76 123.10 3mee s ALA 288 Ca 0.66 -0.07 0.15 0.00 0.00 0.00 0.00 51.96 52.69 3mee s ALA 288 Cb -0.03 -3.05 0.78 0.00 0.00 0.00 0.00 23.12 20.83 3mee s ALA 288 CO 0.47 -0.57 1.84 1.25 0.00 0.00 0.00 175.76 178.74 3mee h LEU 289 N -0.04 0.00 -1.09 0.00 5.85 -1.97 -2.18 115.31 115.88 3mee h LEU 289 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3mee h LEU 289 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3mee h LEU 289 CO 0.62 0.35 0.00 0.35 -0.34 0.00 0.00 178.44 179.42 3mee n THR 290 N -3.98 0.12 -2.52 1.05 -2.24 -1.26 -1.79 114.28 103.66 3mee n THR 290 Ca -0.02 -0.32 -0.39 0.00 -2.27 0.00 0.00 64.05 61.05 3mee n THR 290 Cb 0.41 0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 69.06 3mee n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3mee s GLU 291 N -1.88 4.53 -0.06 -0.78 2.56 -0.82 -4.80 118.70 117.45 3mee s GLU 291 Ca 0.35 1.69 -0.18 0.00 0.00 0.00 0.00 54.97 56.83 3mee s GLU 291 Cb 0.19 -3.01 -0.05 0.00 2.00 0.00 0.00 34.13 33.26 3mee s GLU 291 CO 0.30 0.14 0.50 0.08 -0.56 0.00 0.00 175.26 175.72 3mee s VAL 292 N -1.31 5.06 -0.29 3.70 1.01 -1.26 -0.36 120.40 126.96 3mee s VAL 292 Ca 0.48 1.02 0.02 0.00 0.00 0.00 0.00 61.98 63.50 3mee s VAL 292 Cb -0.28 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.33 3mee s VAL 292 CO 0.36 0.41 -0.05 -0.63 0.00 0.00 0.00 175.10 175.19 3mee s ILE 293 N -0.01 2.38 0.25 2.22 -1.09 0.81 -4.93 121.20 120.83 3mee s ILE 293 Ca 0.27 -1.73 -0.31 0.00 -2.23 0.00 0.00 60.65 56.65 3mee s ILE 293 Cb -0.16 -2.46 -0.12 0.00 -1.58 0.00 0.00 42.46 38.13 3mee s ILE 293 CO 0.13 -0.16 1.64 -0.81 -1.23 0.00 0.00 174.94 174.50 3mee n PRO 294 N 4.44 2.68 -2.30 2.79 -0.04 -1.26 -4.47 135.00 136.84 3mee n PRO 294 Ca -0.10 0.96 -0.41 0.00 -0.04 0.00 0.00 63.50 63.90 3mee n PRO 294 Cb 0.42 -2.76 -0.03 0.00 -0.04 0.00 0.00 33.50 31.09 3mee n PRO 294 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3mee s LEU 295 N 0.22 4.44 1.19 1.53 1.43 -1.26 -5.03 118.68 121.20 3mee s LEU 295 Ca 0.69 2.33 -0.18 0.00 -1.03 0.00 0.00 54.13 55.94 3mee s LEU 295 Cb -0.51 -3.61 0.28 0.00 0.03 0.00 0.00 46.19 42.37 3mee s LEU 295 CO 0.42 -0.43 1.07 0.42 0.23 0.00 0.00 176.35 178.06 3mee s THR 296 N -0.15 1.67 0.05 5.49 -4.23 -1.26 -4.77 115.64 112.44 3mee s THR 296 Ca 0.53 0.00 -0.33 0.00 -1.18 0.00 0.00 61.69 60.71 3mee s THR 296 Cb -0.35 -2.38 -0.19 0.00 1.34 0.00 0.00 72.50 70.93 3mee s THR 296 CO 0.39 0.00 1.44 -0.08 -0.54 0.00 0.00 174.62 175.82 3mee h GLU 297 N -2.58 -1.04 0.00 3.99 4.57 -1.99 -1.44 114.58 116.09 3mee h GLU 297 Ca -0.49 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 3mee h GLU 297 Cb 1.32 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 30.14 3mee h GLU 297 CO 0.40 -0.68 0.00 -0.85 -1.18 0.00 0.00 179.01 176.70 3mee n GLU 298 N -5.52 0.01 -0.02 1.92 0.00 -1.26 -1.47 120.64 114.30 3mee n GLU 298 Ca -0.14 0.32 -0.18 0.00 0.00 0.00 0.00 57.16 57.15 3mee n GLU 298 Cb 0.44 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.24 3mee n GLU 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3mee n ALA 299 N -1.48 1.07 0.21 -1.84 0.00 -1.16 -2.64 120.51 114.67 3mee n ALA 299 Ca 0.03 -0.70 0.06 0.00 0.00 0.00 0.00 53.44 52.83 3mee n ALA 299 Cb 0.11 -0.63 0.45 0.00 0.00 0.00 0.00 19.45 19.37 3mee n ALA 299 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3mee h GLU 300 N 0.05 0.00 0.21 0.00 4.57 -0.58 -0.46 114.58 118.36 3mee h GLU 300 Ca -0.42 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.44 3mee h GLU 300 Cb 2.02 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 30.64 3mee h GLU 300 CO 0.07 0.31 -1.40 1.25 -1.18 0.00 0.00 179.01 178.06 3mee h LEU 301 N 0.00 0.72 -0.30 1.64 5.85 -1.40 -2.88 115.31 118.93 3mee h LEU 301 Ca -0.00 -0.76 0.01 0.00 0.84 0.00 0.00 57.88 57.96 3mee h LEU 301 Cb 0.67 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3mee h LEU 301 CO 0.04 1.60 0.18 -0.08 -0.34 0.00 0.00 178.44 179.84 3mee h GLU 302 N 0.13 0.37 -0.93 1.25 4.81 -1.23 0.17 114.58 119.15 3mee h GLU 302 Ca -0.22 -0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.16 3mee h GLU 302 Cb 2.10 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 31.31 3mee h GLU 302 CO 0.25 0.24 0.60 1.25 -0.73 0.00 0.00 179.01 180.62 3mee h LEU 303 N 0.38 0.65 0.46 1.64 6.46 -1.18 -1.99 115.31 121.74 3mee h LEU 303 Ca 0.12 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.91 3mee h LEU 303 Cb -0.02 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 3mee h LEU 303 CO -0.05 0.29 -0.22 0.00 -0.62 0.00 0.00 178.44 177.84 3mee h ALA 304 N 1.61 -0.62 -0.39 1.25 0.00 -0.49 0.12 119.26 120.72 3mee h ALA 304 Ca 0.49 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.31 3mee h ALA 304 Cb 0.86 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 3mee h ALA 304 CO -0.25 -0.81 0.07 0.93 0.00 0.00 0.00 179.25 179.19 3mee h GLU 305 N -0.70 0.19 -0.24 0.00 5.08 -0.85 -1.56 114.58 116.50 3mee h GLU 305 Ca -0.06 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3mee h GLU 305 Cb 0.52 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3mee h GLU 305 CO 0.10 0.12 0.14 -0.91 -1.00 0.00 0.00 179.01 177.47 3mee h ASN 306 N 0.19 0.29 -0.10 1.42 2.35 -1.16 0.10 115.58 118.67 3mee h ASN 306 Ca 0.19 -0.06 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 3mee h ASN 306 Cb 0.23 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 3mee h ASN 306 CO -0.26 0.27 0.09 -0.09 -1.65 0.00 0.00 177.43 175.79 3mee h ARG 307 N 0.29 0.00 0.03 0.81 9.65 -0.43 -1.53 114.38 123.19 3mee h ARG 307 Ca 0.08 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3mee h ARG 307 Cb 0.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 3mee h ARG 307 CO -0.01 0.00 -0.01 1.49 2.80 0.00 0.00 179.97 184.23 3mee h GLU 308 N 0.00 -0.03 -0.38 0.20 4.57 -0.16 -2.80 114.58 115.98 3mee h GLU 308 Ca 0.05 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.34 3mee h GLU 308 Cb 0.23 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 3mee h GLU 308 CO -0.00 0.69 0.36 0.82 -1.18 0.00 0.00 179.01 179.69 3mee h ILE 309 N -0.88 0.50 0.00 2.32 2.04 -0.12 -1.66 117.51 119.72 3mee h ILE 309 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3mee h ILE 309 Cb 0.74 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3mee h ILE 309 CO 0.01 0.00 -1.20 0.18 0.00 0.00 0.00 178.15 177.14 3mee n LEU 310 N -3.93 0.57 0.15 1.44 4.77 -0.64 -4.33 117.00 115.02 3mee n LEU 310 Ca 0.06 0.08 0.19 0.00 -0.03 0.00 0.00 56.01 56.31 3mee n LEU 310 Cb 0.53 -0.07 0.76 0.00 -2.33 0.00 0.00 43.42 42.31 3mee n LEU 310 CO 0.30 -0.03 1.17 0.11 -1.33 0.00 0.00 177.39 177.61 3mee h LYS 311 N 0.00 0.00 -6.33 3.23 1.57 -1.02 -3.40 116.57 110.63 3mee h LYS 311 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 3mee h LYS 311 Cb 0.85 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.87 3mee h LYS 311 CO 0.00 0.00 -0.87 -2.00 -0.57 0.00 0.00 179.45 176.01 3mee s GLU 312 N -4.50 1.89 0.43 3.15 2.12 -1.26 -5.11 118.70 115.41 3mee s GLU 312 Ca -0.04 -0.85 -0.26 0.00 0.36 0.00 0.00 54.97 54.18 3mee s GLU 312 Cb 0.14 -1.83 -0.09 0.00 0.26 0.00 0.00 34.13 32.60 3mee s GLU 312 CO 0.49 0.50 1.41 -2.30 -0.54 0.00 0.00 175.26 174.82 3mee n PRO 313 N 2.47 2.27 -3.95 4.30 -0.02 -1.26 -5.03 135.00 133.78 3mee n PRO 313 Ca -0.16 0.81 -0.15 0.00 -2.02 0.00 0.00 63.50 61.98 3mee n PRO 313 Cb 0.52 -2.58 -0.15 0.00 -0.02 0.00 0.00 33.50 31.26 3mee n PRO 313 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mee s VAL 314 N -1.18 0.16 0.19 -1.45 1.01 -1.26 -5.17 120.40 112.71 3mee s VAL 314 Ca 0.59 0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.68 3mee s VAL 314 Cb -0.47 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 3mee s VAL 314 CO 0.59 0.10 -0.22 -1.38 0.00 0.00 0.00 175.10 174.19 3mee s HIS 315 N 0.51 2.13 0.21 5.22 -3.43 -1.26 -4.73 115.29 113.94 3mee s HIS 315 Ca -0.05 -0.39 0.05 0.00 -0.80 0.00 0.00 55.06 53.86 3mee s HIS 315 Cb -0.08 -1.05 -0.03 0.00 -1.43 0.00 0.00 32.58 29.99 3mee s HIS 315 CO -0.01 0.45 0.31 0.20 -2.00 0.00 0.00 174.74 173.69 3mee s GLY 316 N -2.70 1.39 0.67 -1.38 0.00 0.26 -4.80 107.32 100.76 3mee s GLY 316 Ca 0.19 -1.20 0.02 0.00 0.00 0.00 0.00 44.72 43.74 3mee s GLY 316 CO 0.09 -1.21 0.92 -1.34 0.00 0.00 0.00 173.10 171.56 3mee s VAL 317 N -1.92 2.18 0.44 1.40 -7.23 -0.46 -1.50 120.40 113.31 3mee s VAL 317 Ca 0.34 -0.72 0.08 0.00 -1.81 0.00 0.00 61.98 59.87 3mee s VAL 317 Cb -0.09 -2.46 0.02 0.00 0.56 0.00 0.00 36.38 34.40 3mee s VAL 317 CO 0.28 0.00 0.58 -0.31 -0.31 0.00 0.00 175.10 175.34 3mee s TYR 318 N -2.98 2.61 -0.10 2.82 2.02 -1.26 -4.47 117.35 115.99 3mee s TYR 318 Ca 0.64 -0.45 -0.20 0.00 -0.37 0.00 0.00 57.07 56.69 3mee s TYR 318 Cb -0.06 -2.34 -0.04 0.00 -0.40 0.00 0.00 41.96 39.12 3mee s TYR 318 CO 0.42 -0.49 0.55 -0.47 -1.57 0.00 0.00 175.55 173.99 3mee s TYR 319 N -2.40 3.54 -0.39 2.71 5.04 -0.42 -4.85 117.35 120.57 3mee s TYR 319 Ca 0.55 1.01 -0.12 0.00 -2.44 0.00 0.00 57.07 56.07 3mee s TYR 319 Cb -0.09 -2.63 0.03 0.00 0.35 0.00 0.00 41.96 39.62 3mee s TYR 319 CO 0.33 0.16 0.25 0.34 -1.34 0.00 0.00 175.55 175.29 3mee s ASP 320 N 0.62 5.88 0.15 4.32 3.68 -1.26 -4.46 116.67 125.59 3mee s ASP 320 Ca 0.30 -1.01 0.12 0.00 2.13 0.00 0.00 52.55 54.09 3mee s ASP 320 Cb -0.16 -2.08 0.59 0.00 -1.45 0.00 0.00 42.92 39.83 3mee s ASP 320 CO 0.13 -0.43 1.36 -2.65 0.13 0.00 0.00 175.17 173.71 3mee n PRO 321 N 5.06 0.07 0.00 4.34 -0.02 -1.26 -2.11 135.00 141.07 3mee n PRO 321 Ca -0.11 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 3mee n PRO 321 Cb 0.46 -1.71 0.40 0.00 -0.02 0.00 0.00 33.50 32.63 3mee n PRO 321 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3mee n SER 322 N -1.86 0.81 -4.38 2.55 3.41 -1.26 -4.92 113.62 107.97 3mee n SER 322 Ca -0.00 -0.69 -0.24 0.00 -0.26 0.00 0.00 58.87 57.68 3mee n SER 322 Cb 0.05 0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 63.99 3mee n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3mee s LYS 323 N -2.60 1.39 0.67 4.33 1.02 -0.90 -5.13 119.74 118.52 3mee s LYS 323 Ca 0.22 -1.47 -0.15 0.00 0.02 0.00 0.00 55.97 54.60 3mee s LYS 323 Cb 0.19 -1.57 0.01 0.00 -0.52 0.00 0.00 37.83 35.94 3mee s LYS 323 CO 0.55 0.33 1.13 -0.51 -0.92 0.00 0.00 175.35 175.92 3mee s ASP 324 N -2.69 4.94 -0.08 2.83 -0.00 -1.26 -4.93 116.67 115.48 3mee s ASP 324 Ca 0.18 2.07 -0.05 0.00 -0.00 0.00 0.00 52.55 54.76 3mee s ASP 324 Cb -0.07 -2.56 -0.04 0.00 -0.00 0.00 0.00 42.92 40.25 3mee s ASP 324 CO 0.08 -1.75 0.14 -0.76 -0.00 0.00 0.00 175.17 172.88 3mee s LEU 325 N -4.90 4.29 -0.13 1.23 1.43 -1.26 -4.55 118.68 114.79 3mee s LEU 325 Ca 0.69 0.39 0.03 0.00 -1.03 0.00 0.00 54.13 54.20 3mee s LEU 325 Cb -0.22 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 43.79 3mee s LEU 325 CO 0.42 0.36 -0.22 -0.63 0.23 0.00 0.00 176.35 176.51 3mee s ILE 326 N -1.11 2.00 -0.14 -0.59 -1.09 0.40 -0.47 121.20 120.20 3mee s ILE 326 Ca 0.19 -0.95 -0.01 0.00 -2.23 0.00 0.00 60.65 57.65 3mee s ILE 326 Cb -0.12 -1.76 -0.02 0.00 -1.58 0.00 0.00 42.46 38.98 3mee s ILE 326 CO 0.09 0.54 -0.11 0.00 -1.23 0.00 0.00 174.94 174.23 3mee s ALA 327 N 0.74 2.70 -0.01 9.38 0.00 0.67 -1.31 121.76 133.94 3mee s ALA 327 Ca -0.09 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.05 3mee s ALA 327 Cb -0.16 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 3mee s ALA 327 CO 0.00 0.22 -0.20 -1.21 0.00 0.00 0.00 175.76 174.57 3mee s GLU 328 N 0.39 2.20 -0.04 0.00 2.02 -0.39 -0.45 118.70 122.42 3mee s GLU 328 Ca -0.09 -0.88 0.04 0.00 0.02 0.00 0.00 54.97 54.05 3mee s GLU 328 Cb -0.15 -2.18 -0.00 0.00 0.10 0.00 0.00 34.13 31.90 3mee s GLU 328 CO 0.05 0.57 -0.15 0.42 0.02 0.00 0.00 175.26 176.17 3mee s ILE 329 N -0.74 1.29 0.05 -1.63 1.01 -1.14 -1.34 121.20 118.69 3mee s ILE 329 Ca 0.12 -0.63 0.08 0.00 0.00 0.00 0.00 60.65 60.22 3mee s ILE 329 Cb -0.10 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 3mee s ILE 329 CO 0.01 0.38 -0.24 -1.10 0.00 0.00 0.00 174.94 173.99 3mee s GLN 330 N 0.12 1.61 -0.11 2.79 1.11 -0.49 -4.16 119.66 120.52 3mee s GLN 330 Ca -0.05 -1.04 -0.29 0.00 0.01 0.00 0.00 55.36 53.99 3mee s GLN 330 Cb -0.11 -1.77 -0.03 0.00 -1.01 0.00 0.00 33.01 30.09 3mee s GLN 330 CO 0.02 0.45 1.37 0.21 0.01 0.00 0.00 175.29 177.35 3mee s LYS 331 N -1.22 4.23 0.00 2.91 2.20 -1.26 -1.61 119.74 124.98 3mee s LYS 331 Ca 0.10 1.82 0.00 0.00 -0.36 0.00 0.00 55.97 57.53 3mee s LYS 331 Cb -0.09 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.44 3mee s LYS 331 CO 0.02 -0.71 0.00 1.04 -0.36 0.00 0.00 175.35 175.34 3mee n GLN 332 N 6.52 0.00 0.00 4.03 1.13 0.64 -4.47 117.38 125.24 3mee n GLN 332 Ca 0.14 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 3mee n GLN 332 Cb 0.44 -0.41 0.00 0.00 0.11 0.00 0.00 30.24 30.38 3mee n GLN 332 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mee n GLY 333 N 2.56 4.23 3.56 1.08 0.00 -1.21 -4.93 105.19 110.48 3mee n GLY 333 Ca 0.00 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 3mee n GLY 333 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mee s GLN 334 N 3.12 2.93 -1.03 1.61 1.11 -1.26 -2.94 119.66 123.19 3mee s GLN 334 Ca 0.00 -0.75 0.00 0.00 0.01 0.00 0.00 55.36 54.62 3mee s GLN 334 Cb 0.00 -5.20 0.00 0.00 -1.01 0.00 0.00 33.01 26.80 3mee s GLN 334 CO 0.00 -3.06 0.00 0.41 0.01 0.00 0.00 175.29 172.65 3mee n GLY 335 N 6.63 0.95 3.25 3.09 0.00 -1.26 -5.00 105.19 112.84 3mee n GLY 335 Ca 0.39 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3mee n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mee s GLN 336 N -3.14 3.22 0.05 1.61 -0.21 -1.15 -4.25 119.66 115.80 3mee s GLN 336 Ca 0.00 -0.72 0.08 0.00 0.02 0.00 0.00 55.36 54.74 3mee s GLN 336 Cb 0.00 -2.76 -0.03 0.00 1.00 0.00 0.00 33.01 31.22 3mee s GLN 336 CO 0.00 -0.12 -0.22 -1.58 -2.12 0.00 0.00 175.29 171.25 3mee s TRP 337 N 1.18 2.45 0.15 0.91 0.52 0.11 -0.26 118.94 124.01 3mee s TRP 337 Ca 0.02 -0.33 0.06 0.00 0.02 0.00 0.00 56.10 55.87 3mee s TRP 337 Cb -0.14 -1.41 -0.04 0.00 -1.15 0.00 0.00 33.47 30.72 3mee s TRP 337 CO -0.05 0.22 -0.13 -0.08 0.02 0.00 0.00 176.95 176.93 3mee s THR 338 N -0.90 1.40 0.15 2.01 -1.32 -0.64 0.05 115.64 116.40 3mee s THR 338 Ca 0.14 -1.98 -0.20 0.00 -1.21 0.00 0.00 61.69 58.44 3mee s THR 338 Cb -0.10 -1.79 0.05 0.00 -1.51 0.00 0.00 72.50 69.15 3mee s THR 338 CO 0.04 -0.58 0.52 -0.72 -2.21 0.00 0.00 174.62 171.68 3mee s TYR 339 N -2.78 -0.36 0.02 9.09 1.13 -0.48 -1.39 117.35 122.57 3mee s TYR 339 Ca 0.15 0.10 0.01 0.00 -1.41 0.00 0.00 57.07 55.92 3mee s TYR 339 Cb -0.01 0.44 -0.01 0.00 -1.10 0.00 0.00 41.96 41.27 3mee s TYR 339 CO 0.03 -0.81 -0.05 -0.65 -2.51 0.00 0.00 175.55 171.56 3mee s GLN 340 N -3.79 0.36 -0.10 -3.49 1.11 -0.45 -1.46 119.66 111.84 3mee s GLN 340 Ca 0.03 -0.43 0.03 0.00 0.01 0.00 0.00 55.36 54.99 3mee s GLN 340 Cb -0.00 -0.19 0.01 0.00 -1.01 0.00 0.00 33.01 31.82 3mee s GLN 340 CO -0.11 0.04 -0.17 0.42 0.01 0.00 0.00 175.29 175.47 3mee s ILE 341 N -0.80 1.60 0.22 1.08 1.01 -0.05 -1.26 121.20 123.00 3mee s ILE 341 Ca -0.06 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 3mee s ILE 341 Cb -0.06 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 3mee s ILE 341 CO -0.00 0.46 0.34 -0.72 0.00 0.00 0.00 174.94 175.02 3mee s TYR 342 N 0.68 0.62 -0.01 3.97 -0.85 -0.43 -0.64 117.35 120.70 3mee s TYR 342 Ca -0.13 -0.94 0.02 0.00 -0.52 0.00 0.00 57.07 55.50 3mee s TYR 342 Cb -0.16 -0.08 -0.02 0.00 0.38 0.00 0.00 41.96 42.08 3mee s TYR 342 CO 0.03 -0.85 0.01 1.04 -1.52 0.00 0.00 175.55 174.26 3mee n GLN 343 N -0.33 3.15 -4.14 -3.49 6.02 -1.26 -0.45 117.38 116.89 3mee n GLN 343 Ca -0.01 -0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.69 3mee n GLN 343 Cb 0.63 -1.04 -0.17 0.00 1.02 0.00 0.00 30.24 30.68 3mee n GLN 343 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3mee s GLU 344 N -2.06 2.04 0.14 -1.09 2.56 -1.26 -4.93 118.70 114.10 3mee s GLU 344 Ca -0.01 -0.47 -0.31 0.00 0.00 0.00 0.00 54.97 54.19 3mee s GLU 344 Cb 0.01 -1.87 -0.08 0.00 2.00 0.00 0.00 34.13 34.19 3mee s GLU 344 CO 0.07 -0.18 1.36 -1.25 -0.56 0.00 0.00 175.26 174.70 3mee s PRO 345 N 1.37 4.34 -0.45 4.30 0.04 -1.26 0.14 135.00 143.48 3mee s PRO 345 Ca 0.01 2.06 0.06 0.00 0.04 0.00 0.00 61.00 63.17 3mee s PRO 345 Cb -0.13 -3.23 0.41 0.00 0.04 0.00 0.00 34.50 31.58 3mee s PRO 345 CO -0.07 -0.37 1.07 1.19 0.04 0.00 0.00 177.00 178.86 3mee n PHE 346 N 3.50 3.33 -2.66 0.56 3.01 -1.26 -5.10 117.46 118.85 3mee n PHE 346 Ca 0.10 -3.24 -0.42 0.00 1.01 0.00 0.00 57.45 54.90 3mee n PHE 346 Cb 0.43 -0.17 -0.03 0.00 -0.01 0.00 0.00 39.48 39.70 3mee n PHE 346 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3mee s LYS 347 N -3.49 3.42 0.21 -1.08 1.02 0.12 -5.00 119.74 114.94 3mee s LYS 347 Ca 0.47 -0.96 -0.30 0.00 0.02 0.00 0.00 55.97 55.20 3mee s LYS 347 Cb 0.38 -4.80 -0.09 0.00 -0.52 0.00 0.00 37.83 32.80 3mee s LYS 347 CO -0.17 -2.06 1.36 -0.80 -0.92 0.00 0.00 175.35 172.77 3mee s ASN 348 N 4.23 6.80 0.14 2.83 0.01 -1.26 -4.22 114.94 123.47 3mee s ASN 348 Ca 0.37 2.49 -0.10 0.00 -0.71 0.00 0.00 52.86 54.91 3mee s ASN 348 Cb -0.05 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.95 3mee s ASN 348 CO -0.00 -0.60 1.44 -0.07 -1.51 0.00 0.00 177.10 176.35 3mee h LEU 349 N 5.40 0.93 -7.16 0.60 4.07 -1.10 -1.22 115.31 116.83 3mee h LEU 349 Ca -0.45 -0.48 0.15 0.00 0.08 0.00 0.00 57.88 57.18 3mee h LEU 349 Cb 1.21 -0.26 -0.14 0.00 1.08 0.00 0.00 40.66 42.55 3mee h LEU 349 CO 0.78 1.27 0.54 -1.59 -1.08 0.00 0.00 178.44 178.37 3mee s LYS 350 N -4.15 0.83 0.48 1.13 -2.85 -1.17 -4.40 119.74 109.62 3mee s LYS 350 Ca -0.10 -0.36 0.02 0.00 -1.00 0.00 0.00 55.97 54.53 3mee s LYS 350 Cb 0.10 0.35 -0.02 0.00 -2.06 0.00 0.00 37.83 36.20 3mee s LYS 350 CO 0.88 -0.37 0.02 0.95 0.10 0.00 0.00 175.35 176.93 3mee s THR 351 N -3.05 1.16 0.15 3.79 -4.23 0.17 -0.87 115.64 112.76 3mee s THR 351 Ca 0.08 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.35 3mee s THR 351 Cb -0.01 -2.27 0.08 0.00 1.34 0.00 0.00 72.50 71.64 3mee s THR 351 CO -0.06 0.00 1.09 -0.83 -0.54 0.00 0.00 174.62 174.28 3mee s GLY 352 N -3.82 0.07 0.02 3.99 0.00 -0.54 -4.24 107.32 102.80 3mee s GLY 352 Ca 0.11 -0.27 -0.05 0.00 0.00 0.00 0.00 44.72 44.51 3mee s GLY 352 CO 0.06 3.09 0.07 -1.59 0.00 0.00 0.00 173.10 174.74 3mee s LYS 353 N -2.12 0.47 -0.07 2.90 -2.85 -1.26 -1.38 119.74 115.42 3mee s LYS 353 Ca 0.23 -0.58 0.03 0.00 -1.00 0.00 0.00 55.97 54.65 3mee s LYS 353 Cb -0.02 0.18 0.01 0.00 -2.06 0.00 0.00 37.83 35.94 3mee s LYS 353 CO 0.04 -0.11 -0.16 -0.47 0.10 0.00 0.00 175.35 174.75 3mee s TYR 354 N -1.82 1.81 -0.45 1.78 5.04 0.11 -4.97 117.35 118.85 3mee s TYR 354 Ca -0.12 -0.67 0.06 0.00 -2.44 0.00 0.00 57.07 53.90 3mee s TYR 354 Cb -0.06 -1.26 0.18 0.00 0.35 0.00 0.00 41.96 41.16 3mee s TYR 354 CO -0.01 -0.29 0.56 0.00 -1.34 0.00 0.00 175.55 174.46 3mee s ALA 355 N 0.44 -1.05 -0.01 3.97 0.00 -1.26 0.09 121.76 123.94 3mee s ALA 355 Ca -0.14 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 50.96 3mee s ALA 355 Cb -0.16 -2.34 0.01 0.00 0.00 0.00 0.00 23.12 20.64 3mee s ALA 355 CO 0.05 -2.16 0.01 0.50 0.00 0.00 0.00 175.76 174.15 3mee s ARG 356 N 0.98 0.04 -0.22 0.00 3.52 -1.26 -5.04 118.95 116.96 3mee s ARG 356 Ca 0.26 0.06 -0.18 0.00 -0.13 0.00 0.00 55.73 55.74 3mee s ARG 356 Cb -0.03 -0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.17 3mee s ARG 356 CO -0.08 -0.07 0.48 0.00 -0.81 0.00 0.00 175.30 174.83 3mee s MET 357 N 0.48 4.14 -0.65 5.12 0.00 -1.26 -5.02 119.30 122.10 3mee s MET 357 Ca -0.04 0.32 -0.11 0.00 0.00 0.00 0.00 55.69 55.86 3mee s MET 357 Cb -0.06 -3.59 0.17 0.00 0.00 0.00 0.00 34.83 31.35 3mee s MET 357 CO -0.01 -0.20 0.55 1.03 0.00 0.00 0.00 175.02 176.39 3mee s ARG 358 N 1.81 3.00 0.00 3.16 0.52 -1.26 -4.97 118.95 121.22 3mee s ARG 358 Ca 0.22 -2.19 0.00 0.00 -0.52 0.00 0.00 55.73 53.24 3mee s ARG 358 Cb -0.15 -4.13 0.00 0.00 0.52 0.00 0.00 34.95 31.18 3mee s ARG 358 CO 0.09 -1.25 0.00 0.41 0.02 0.00 0.00 175.30 174.57 3mee n GLY 359 N 4.30 1.34 0.14 -3.53 0.00 -1.26 -4.73 105.19 101.45 3mee n GLY 359 Ca 0.03 -2.01 0.02 0.00 0.00 0.00 0.00 46.02 44.06 3mee n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mee h ALA 360 N 0.00 0.72 -3.43 4.61 0.00 -1.97 -3.45 119.26 115.75 3mee h ALA 360 Ca 0.00 -0.47 -0.41 0.00 0.00 0.00 0.00 54.91 54.02 3mee h ALA 360 Cb 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 17.79 17.36 3mee h ALA 360 CO 0.00 0.65 -0.77 -1.01 0.00 0.00 0.00 179.25 178.12 3mee s HIS 361 N -3.11 0.73 0.16 0.00 3.76 -1.26 -2.14 115.29 113.43 3mee s HIS 361 Ca 0.03 -0.20 -0.01 0.00 -0.15 0.00 0.00 55.06 54.72 3mee s HIS 361 Cb 0.09 -0.68 0.00 0.00 1.11 0.00 0.00 32.58 33.10 3mee s HIS 361 CO 0.74 -0.21 0.22 0.25 -0.85 0.00 0.00 174.74 174.88 3mee n THR 362 N 4.22 0.00 -4.24 1.30 -2.24 -1.17 -4.97 114.28 107.19 3mee n THR 362 Ca -0.22 -0.78 -0.13 0.00 -2.27 0.00 0.00 64.05 60.65 3mee n THR 362 Cb 0.51 0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 69.12 3mee n THR 362 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3mee s ASN 363 N -1.96 1.08 0.52 3.42 2.20 -1.26 -1.72 114.94 117.22 3mee s ASN 363 Ca 0.13 -1.20 0.27 0.00 -0.94 0.00 0.00 52.86 51.12 3mee s ASN 363 Cb -0.00 0.15 1.41 0.00 -2.00 0.00 0.00 41.25 40.80 3mee s ASN 363 CO 0.09 -0.61 1.94 0.44 -2.94 0.00 0.00 177.10 176.02 3mee h ASP 364 N 2.68 0.03 0.37 3.54 3.32 -1.94 -0.55 116.42 123.87 3mee h ASP 364 Ca -0.37 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.52 3mee h ASP 364 Cb 1.21 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 3mee h ASP 364 CO 0.62 0.02 -0.68 0.58 -1.72 0.00 0.00 179.24 178.05 3mee h VAL 365 N 0.03 1.40 -0.27 -1.35 2.07 -1.95 -0.62 116.25 115.56 3mee h VAL 365 Ca 0.35 -2.13 -0.05 0.00 0.82 0.00 0.00 66.70 65.69 3mee h VAL 365 Cb 1.33 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 33.19 3mee h VAL 365 CO -0.02 0.63 -0.02 0.11 0.02 0.00 0.00 177.57 178.29 3mee h LYS 366 N 0.20 0.50 -0.46 1.57 1.57 -1.53 -2.49 116.57 115.92 3mee h LYS 366 Ca -0.02 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.50 3mee h LYS 366 Cb 1.23 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 3mee h LYS 366 CO 0.11 0.68 -0.07 1.96 -0.57 0.00 0.00 179.45 181.56 3mee h GLN 367 N 0.27 0.85 -0.47 3.15 4.20 -1.24 -1.05 115.11 120.83 3mee h GLN 367 Ca 0.07 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 3mee h GLN 367 Cb 0.47 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3mee h GLN 367 CO 0.02 0.94 0.22 1.25 -0.67 0.00 0.00 178.83 180.58 3mee h LEU 368 N 0.70 0.62 -1.83 1.46 5.85 -1.18 -1.17 115.31 119.76 3mee h LEU 368 Ca 0.12 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3mee h LEU 368 Cb 0.60 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 3mee h LEU 368 CO 0.04 0.58 -0.14 0.74 -0.34 0.00 0.00 178.44 179.32 3mee h THR 369 N 0.61 0.88 0.23 1.05 2.02 -0.95 -0.87 112.91 115.88 3mee h THR 369 Ca 0.16 -0.51 -0.33 0.00 0.77 0.00 0.00 66.41 66.50 3mee h THR 369 Cb 0.14 1.29 0.03 0.00 -1.74 0.00 0.00 68.15 67.87 3mee h THR 369 CO -0.02 0.13 -1.45 -0.33 0.37 0.00 0.00 175.52 174.23 3mee h GLU 370 N 0.00 0.49 -0.49 6.66 5.08 -0.48 -2.65 114.58 123.18 3mee h GLU 370 Ca -0.00 -0.83 0.01 0.00 -1.00 0.00 0.00 59.36 57.53 3mee h GLU 370 Cb 0.28 0.31 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 3mee h GLU 370 CO 0.02 1.40 0.32 0.00 -1.00 0.00 0.00 179.01 179.74 3mee h ALA 371 N 0.24 0.62 -0.97 3.43 0.00 -0.87 0.82 119.26 122.53 3mee h ALA 371 Ca -0.24 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 54.81 3mee h ALA 371 Cb 2.14 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 19.65 3mee h ALA 371 CO 0.26 0.05 0.61 0.28 0.00 0.00 0.00 179.25 180.45 3mee h VAL 372 N 0.65 0.79 -0.03 0.00 2.07 -1.15 0.74 116.25 119.32 3mee h VAL 372 Ca 0.18 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 3mee h VAL 372 Cb -0.05 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 29.67 3mee h VAL 372 CO -0.05 0.14 -0.42 -0.61 0.02 0.00 0.00 177.57 176.65 3mee h GLN 373 N 0.78 0.33 -0.72 1.57 5.75 -0.94 -1.12 115.11 120.77 3mee h GLN 373 Ca 0.51 -0.32 0.10 0.00 -0.15 0.00 0.00 58.65 58.79 3mee h GLN 373 Cb 0.77 0.08 -0.07 0.00 1.07 0.00 0.00 27.48 29.33 3mee h GLN 373 CO -0.28 1.00 0.35 -0.22 -2.65 0.00 0.00 178.83 177.02 3mee h LYS 374 N -0.21 0.58 -0.04 1.69 3.11 -0.47 -1.66 116.57 119.57 3mee h LYS 374 Ca -0.04 -0.03 -0.11 0.00 -2.81 0.00 0.00 60.65 57.65 3mee h LYS 374 Cb 1.12 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 32.21 3mee h LYS 374 CO 0.08 0.38 -0.51 0.82 -2.81 0.00 0.00 179.45 177.42 3mee h ILE 375 N 0.60 1.36 -0.12 2.00 2.04 -0.79 -2.61 117.51 119.99 3mee h ILE 375 Ca 0.36 -1.76 -0.03 0.00 1.00 0.00 0.00 64.86 64.42 3mee h ILE 375 Cb 0.39 1.91 -0.00 0.00 -0.74 0.00 0.00 36.82 38.38 3mee h ILE 375 CO -0.28 0.51 -0.05 0.74 0.00 0.00 0.00 178.15 179.07 3mee h THR 376 N 0.07 1.31 -0.46 -0.27 2.02 -0.32 -0.79 112.91 114.48 3mee h THR 376 Ca -0.00 -1.07 0.03 0.00 0.77 0.00 0.00 66.41 66.14 3mee h THR 376 Cb 0.93 1.76 -0.04 0.00 -1.74 0.00 0.00 68.15 69.07 3mee h THR 376 CO 0.07 0.31 0.25 0.74 0.37 0.00 0.00 175.52 177.26 3mee h THR 377 N -0.09 1.00 -0.60 3.16 2.02 -1.35 -1.55 112.91 115.51 3mee h THR 377 Ca 0.03 -0.17 0.05 0.00 0.77 0.00 0.00 66.41 67.08 3mee h THR 377 Cb 0.51 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 3mee h THR 377 CO 0.02 0.09 0.33 -0.08 0.37 0.00 0.00 175.52 176.25 3mee h GLU 378 N 0.50 0.61 -0.89 6.66 4.81 -1.36 -1.66 114.58 123.25 3mee h GLU 378 Ca 0.19 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3mee h GLU 378 Cb 0.07 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 3mee h GLU 378 CO -0.12 0.40 0.49 0.77 -0.73 0.00 0.00 179.01 179.83 3mee h SER 379 N 0.63 1.11 -0.59 1.04 0.02 -0.60 -0.54 113.55 114.62 3mee h SER 379 Ca 0.26 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3mee h SER 379 Cb 0.13 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 3mee h SER 379 CO -0.15 0.89 0.37 0.40 -1.14 0.00 0.00 176.83 177.19 3mee h ILE 380 N 1.24 1.17 -0.21 3.27 1.08 -0.44 0.15 117.51 123.78 3mee h ILE 380 Ca 0.31 -0.35 -0.02 0.00 -0.39 0.00 0.00 64.86 64.41 3mee h ILE 380 Cb 0.02 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.10 3mee h ILE 380 CO -0.05 0.17 0.06 0.58 -0.69 0.00 0.00 178.15 178.21 3mee h VAL 381 N 0.80 1.20 0.09 1.67 2.07 -0.91 0.56 116.25 121.73 3mee h VAL 381 Ca 0.21 -0.64 -0.25 0.00 0.82 0.00 0.00 66.70 66.84 3mee h VAL 381 Cb -0.04 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3mee h VAL 381 CO -0.04 0.20 -1.15 0.40 0.02 0.00 0.00 177.57 176.99 3mee h ILE 382 N 0.15 1.53 0.00 4.57 2.04 -0.85 -3.39 117.51 121.56 3mee h ILE 382 Ca 0.07 -3.05 0.00 0.00 1.00 0.00 0.00 64.86 62.87 3mee h ILE 382 Cb 0.26 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.20 3mee h ILE 382 CO -0.00 0.89 -0.16 0.79 0.00 0.00 0.00 178.15 179.67 3mee n TRP 383 N -3.53 0.00 -2.39 1.37 8.01 0.49 -4.51 117.44 116.88 3mee n TRP 383 Ca -0.07 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 55.97 3mee n TRP 383 Cb 0.98 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.28 3mee n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3mee n GLY 384 N 0.82 -0.23 3.40 6.99 0.00 0.19 -4.98 105.19 111.37 3mee n GLY 384 Ca 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 3mee n GLY 384 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mee s LYS 385 N -4.87 0.63 0.23 1.61 2.20 -1.23 -4.94 119.74 113.37 3mee s LYS 385 Ca 0.05 0.58 -0.27 0.00 -0.36 0.00 0.00 55.97 55.96 3mee s LYS 385 Cb -0.02 0.30 -0.09 0.00 -1.51 0.00 0.00 37.83 36.52 3mee s LYS 385 CO 0.06 -0.10 0.87 0.95 -0.36 0.00 0.00 175.35 176.77 3mee s THR 386 N -0.00 4.22 0.67 3.43 -4.23 -1.26 -3.78 115.64 114.68 3mee s THR 386 Ca -0.02 1.87 -0.11 0.00 -1.18 0.00 0.00 61.69 62.24 3mee s THR 386 Cb -0.03 -4.19 -0.01 0.00 1.34 0.00 0.00 72.50 69.61 3mee s THR 386 CO 0.02 0.44 1.06 -2.16 -0.54 0.00 0.00 174.62 173.44 3mee s PRO 387 N -1.35 3.19 -0.03 3.99 0.04 -1.26 -4.74 135.00 134.84 3mee s PRO 387 Ca 0.41 0.63 -0.22 0.00 0.04 0.00 0.00 61.00 61.86 3mee s PRO 387 Cb -0.23 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 3mee s PRO 387 CO 0.28 -0.84 0.66 0.15 0.04 0.00 0.00 177.00 177.30 3mee s LYS 388 N -5.25 4.40 0.13 4.56 1.02 0.38 -4.73 119.74 120.25 3mee s LYS 388 Ca 0.57 0.83 -0.01 0.00 0.02 0.00 0.00 55.97 57.38 3mee s LYS 388 Cb -0.11 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 3mee s LYS 388 CO 0.53 0.21 0.31 -0.06 -0.92 0.00 0.00 175.35 175.42 3mee s PHE 389 N 0.30 3.49 -0.16 3.18 0.40 -0.66 -0.24 117.98 124.30 3mee s PHE 389 Ca 0.35 0.33 -0.01 0.00 -0.60 0.00 0.00 56.93 57.00 3mee s PHE 389 Cb -0.18 -1.83 0.04 0.00 0.51 0.00 0.00 43.02 41.56 3mee s PHE 389 CO 0.18 0.48 -0.05 0.15 0.70 0.00 0.00 175.22 176.69 3mee s LYS 390 N -2.88 1.34 -0.01 0.44 1.02 0.40 -2.12 119.74 117.94 3mee s LYS 390 Ca 0.37 -0.45 0.07 0.00 0.02 0.00 0.00 55.97 55.98 3mee s LYS 390 Cb -0.12 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 35.27 3mee s LYS 390 CO 0.28 -0.42 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.57 3mee s LEU 391 N 1.68 2.06 -0.42 3.17 1.43 -0.69 -2.86 118.68 123.04 3mee s LEU 391 Ca 0.01 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 3mee s LEU 391 Cb -0.15 -1.06 -0.22 0.00 0.03 0.00 0.00 46.19 44.79 3mee s LEU 391 CO -0.08 0.24 3.45 -0.81 0.23 0.00 0.00 176.35 179.39 3mee n PRO 392 N 2.47 2.44 -3.76 1.29 -0.04 -1.25 -1.01 135.00 135.14 3mee n PRO 392 Ca -0.15 -1.32 -0.13 0.00 -0.04 0.00 0.00 63.50 61.86 3mee n PRO 392 Cb 0.53 -2.20 -0.11 0.00 -0.04 0.00 0.00 33.50 31.67 3mee n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3mee s ILE 393 N 1.25 -0.01 0.35 0.52 2.07 -1.26 -0.98 121.20 123.14 3mee s ILE 393 Ca 0.68 0.02 -0.26 0.00 -1.41 0.00 0.00 60.65 59.68 3mee s ILE 393 Cb 0.29 -0.41 -0.09 0.00 0.13 0.00 0.00 42.46 42.37 3mee s ILE 393 CO -0.02 0.01 1.02 -1.10 -1.91 0.00 0.00 174.94 172.94 3mee s GLN 394 N 0.36 4.42 0.42 3.50 -1.52 -1.26 -4.49 119.66 121.09 3mee s GLN 394 Ca -0.02 1.50 0.12 0.00 -1.95 0.00 0.00 55.36 55.01 3mee s GLN 394 Cb -0.03 -2.77 0.97 0.00 -0.22 0.00 0.00 33.01 30.96 3mee s GLN 394 CO -0.01 0.09 1.98 0.87 -0.25 0.00 0.00 175.29 177.96 3mee h LYS 395 N 3.02 0.46 -0.22 2.91 1.79 -1.98 -1.84 116.57 120.72 3mee h LYS 395 Ca -0.47 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 57.94 3mee h LYS 395 Cb 1.21 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.74 3mee h LYS 395 CO 0.64 0.31 0.00 1.49 -1.08 0.00 0.00 179.45 180.81 3mee h GLU 396 N 0.48 0.38 -0.34 3.15 4.81 -1.98 -1.43 114.58 119.64 3mee h GLU 396 Ca 0.28 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.45 3mee h GLU 396 Cb 0.48 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 3mee h GLU 396 CO -0.08 0.56 0.06 1.15 -0.73 0.00 0.00 179.01 179.97 3mee h THR 397 N 0.15 0.82 -0.03 0.32 2.02 -1.73 -0.83 112.91 113.62 3mee h THR 397 Ca 0.06 -0.06 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 3mee h THR 397 Cb 0.39 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3mee h THR 397 CO 0.01 0.03 -0.62 -0.25 0.37 0.00 0.00 175.52 175.06 3mee h TRP 398 N 0.17 0.15 -0.01 3.16 7.01 -1.36 -2.19 115.95 122.88 3mee h TRP 398 Ca 0.16 -0.06 -0.16 0.00 2.11 0.00 0.00 58.89 60.94 3mee h TRP 398 Cb 0.19 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.20 3mee h TRP 398 CO -0.19 0.70 -0.75 1.49 -2.79 0.00 0.00 178.44 176.90 3mee h GLU 399 N 0.08 0.09 -0.13 2.65 4.81 -1.01 -1.06 114.58 120.02 3mee h GLU 399 Ca -0.01 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 3mee h GLU 399 Cb 1.11 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 3mee h GLU 399 CO 0.09 0.80 -0.01 1.15 -0.73 0.00 0.00 179.01 180.30 3mee h THR 400 N 0.06 1.27 -0.04 0.32 2.02 -0.88 -2.94 112.91 112.71 3mee h THR 400 Ca -0.02 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 3mee h THR 400 Cb 1.32 1.61 -0.00 0.00 -1.74 0.00 0.00 68.15 69.34 3mee h THR 400 CO 0.11 0.26 -0.02 -0.25 0.37 0.00 0.00 175.52 175.99 3mee h TRP 401 N -0.05 0.10 -0.64 3.16 2.91 -1.34 -3.19 115.95 116.89 3mee h TRP 401 Ca 0.03 -0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.07 3mee h TRP 401 Cb 0.40 -0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 28.98 3mee h TRP 401 CO 0.04 0.46 0.38 2.35 -1.03 0.00 0.00 178.44 180.64 3mee h TRP 402 N -0.28 0.72 -0.55 2.65 7.01 -1.28 -1.00 115.95 123.22 3mee h TRP 402 Ca 0.01 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 60.95 3mee h TRP 402 Cb 0.43 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 3mee h TRP 402 CO 0.06 0.39 0.00 1.79 -2.79 0.00 0.00 178.44 177.90 3mee h THR 403 N 0.75 1.26 -0.00 2.65 1.35 -1.57 -3.15 112.91 114.19 3mee h THR 403 Ca 0.26 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 3mee h THR 403 Cb 0.06 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 3mee h THR 403 CO -0.12 0.39 -0.82 -1.84 -0.25 0.00 0.00 175.52 172.88 3mee n GLU 404 N -4.19 0.30 -2.68 4.72 0.28 -1.09 -4.88 120.64 113.10 3mee n GLU 404 Ca 0.03 -0.24 -0.35 0.00 -0.16 0.00 0.00 57.16 56.44 3mee n GLU 404 Cb 0.33 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.65 3mee n GLU 404 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3mee s TYR 405 N -2.87 3.31 -0.15 -1.84 5.04 -0.40 -4.98 117.35 115.47 3mee s TYR 405 Ca 0.11 1.65 0.16 0.00 -2.44 0.00 0.00 57.07 56.55 3mee s TYR 405 Cb 0.17 -2.99 -0.02 0.00 0.35 0.00 0.00 41.96 39.47 3mee s TYR 405 CO 0.78 -0.34 1.15 0.11 -1.34 0.00 0.00 175.55 175.92 3mee h TRP 406 N 2.27 0.00 -4.04 4.97 5.08 -1.90 -3.46 115.95 118.87 3mee h TRP 406 Ca -0.48 0.00 -0.48 0.00 1.08 0.00 0.00 58.89 59.00 3mee h TRP 406 Cb 1.20 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 27.39 3mee h TRP 406 CO 0.60 0.50 0.41 -0.65 -1.28 0.00 0.00 178.44 178.01 3mee s GLN 407 N -2.97 3.82 0.32 0.12 -1.52 -1.26 -5.04 119.66 113.12 3mee s GLN 407 Ca 0.01 1.47 -0.26 0.00 -1.95 0.00 0.00 55.36 54.63 3mee s GLN 407 Cb 0.08 -2.21 -0.10 0.00 -0.22 0.00 0.00 33.01 30.56 3mee s GLN 407 CO 0.78 -0.44 0.95 0.00 -0.25 0.00 0.00 175.29 176.33 3mee s ALA 408 N -1.83 3.22 0.26 6.09 0.00 -1.26 -5.03 121.76 123.19 3mee s ALA 408 Ca 0.66 0.54 -0.10 0.00 0.00 0.00 0.00 51.96 53.06 3mee s ALA 408 Cb -0.20 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 3mee s ALA 408 CO 0.24 0.16 0.43 -0.08 0.00 0.00 0.00 175.76 176.51 3mee s THR 409 N -1.59 0.00 -0.29 0.00 -1.32 -1.26 -5.16 115.64 106.02 3mee s THR 409 Ca 0.50 -1.51 -0.18 0.00 -1.21 0.00 0.00 61.69 59.29 3mee s THR 409 Cb -0.19 -2.32 0.17 0.00 -1.51 0.00 0.00 72.50 68.65 3mee s THR 409 CO 0.25 0.00 1.13 0.86 -2.21 0.00 0.00 174.62 174.65 3mee s TRP 410 N -3.88 -0.33 0.04 9.09 -0.11 -1.26 -5.16 118.94 117.33 3mee s TRP 410 Ca 0.26 0.68 0.07 0.00 1.22 0.00 0.00 56.10 58.32 3mee s TRP 410 Cb 0.00 0.26 -0.02 0.00 -1.50 0.00 0.00 33.47 32.20 3mee s TRP 410 CO 0.11 -0.16 -0.19 0.96 -4.62 0.00 0.00 176.95 173.05 3mee s ILE 411 N 0.97 1.49 1.39 5.86 -4.36 -1.26 -5.02 121.20 120.27 3mee s ILE 411 Ca -0.06 -1.14 -0.22 0.00 -0.26 0.00 0.00 60.65 58.98 3mee s ILE 411 Cb -0.03 -1.31 0.36 0.00 1.25 0.00 0.00 42.46 42.72 3mee s ILE 411 CO -0.12 0.14 0.94 -2.16 0.24 0.00 0.00 174.94 173.98 3mee s PRO 412 N -1.18 -2.71 -0.12 0.37 0.04 -1.26 -4.81 135.00 125.34 3mee s PRO 412 Ca 0.06 0.22 -0.40 0.00 0.04 0.00 0.00 61.00 60.92 3mee s PRO 412 Cb -0.08 -1.40 -0.18 0.00 0.04 0.00 0.00 34.50 32.88 3mee s PRO 412 CO 0.02 -4.75 1.41 -1.91 0.04 0.00 0.00 177.00 171.81 3mee n GLU 413 N -5.55 0.68 -4.09 4.56 2.13 -1.26 -4.82 120.64 112.28 3mee n GLU 413 Ca 0.11 0.25 -0.11 0.00 0.66 0.00 0.00 57.16 58.07 3mee n GLU 413 Cb 0.59 -1.84 -0.07 0.00 0.27 0.00 0.00 31.44 30.40 3mee n GLU 413 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 3mee s TRP 414 N 1.52 0.79 0.13 4.31 1.48 -1.26 -1.66 118.94 124.25 3mee s TRP 414 Ca 0.93 -1.07 -0.17 0.00 -1.06 0.00 0.00 56.10 54.73 3mee s TRP 414 Cb -1.15 -0.13 0.04 0.00 -1.16 0.00 0.00 33.47 31.06 3mee s TRP 414 CO 0.60 -0.90 0.43 -1.83 -4.06 0.00 0.00 176.95 171.19 3mee s GLU 415 N -3.89 1.11 0.39 3.25 -1.05 -0.90 -4.95 118.70 112.66 3mee s GLU 415 Ca 0.30 -0.70 -0.26 0.00 -0.15 0.00 0.00 54.97 54.16 3mee s GLU 415 Cb 0.02 0.48 -0.09 0.00 -0.44 0.00 0.00 34.13 34.11 3mee s GLU 415 CO 0.12 -0.44 1.19 0.12 0.95 0.00 0.00 175.26 177.20 3mee s PHE 416 N -3.80 3.06 -0.01 4.83 5.36 -1.26 -1.71 117.98 124.45 3mee s PHE 416 Ca 0.03 1.53 -0.00 0.00 -0.96 0.00 0.00 56.93 57.53 3mee s PHE 416 Cb 0.01 -3.44 0.02 0.00 -0.34 0.00 0.00 43.02 39.27 3mee s PHE 416 CO -0.12 -1.41 0.03 0.54 -1.46 0.00 0.00 175.22 172.80 3mee s VAL 417 N -1.36 -0.03 -1.16 3.12 0.11 -0.18 -4.74 120.40 116.16 3mee s VAL 417 Ca 0.56 0.11 -0.11 0.00 -2.93 0.00 0.00 61.98 59.61 3mee s VAL 417 Cb -0.32 -0.06 0.23 0.00 -1.53 0.00 0.00 36.38 34.70 3mee s VAL 417 CO 0.41 0.04 1.28 -3.20 -3.33 0.00 0.00 175.10 170.31 3mee n ASN 418 N 3.64 5.43 -3.81 3.54 2.85 -1.26 -3.83 115.26 121.82 3mee n ASN 418 Ca -0.20 -3.03 -0.30 0.00 -0.11 0.00 0.00 54.58 50.94 3mee n ASN 418 Cb 0.55 -1.45 -0.13 0.00 1.24 0.00 0.00 39.78 39.98 3mee n ASN 418 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3mee s THR 419 N -0.18 1.95 0.77 -0.44 2.01 -1.26 -5.11 115.64 113.38 3mee s THR 419 Ca 0.36 -2.96 -0.13 0.00 0.31 0.00 0.00 61.69 59.26 3mee s THR 419 Cb -0.06 -2.36 0.06 0.00 0.01 0.00 0.00 72.50 70.16 3mee s THR 419 CO -0.04 -0.87 1.17 -2.84 -0.69 0.00 0.00 174.62 171.36 3mee s PRO 420 N -0.01 1.95 0.26 4.92 0.02 -1.26 -4.46 135.00 136.41 3mee s PRO 420 Ca 0.18 1.63 -0.29 0.00 0.02 0.00 0.00 61.00 62.53 3mee s PRO 420 Cb -0.23 -1.82 -0.09 0.00 0.02 0.00 0.00 34.50 32.37 3mee s PRO 420 CO -0.01 -1.95 1.20 -1.25 -0.33 0.00 0.00 177.00 174.65 3mee s PRO 421 N -4.19 4.51 0.29 5.54 0.04 -1.26 -4.89 135.00 135.03 3mee s PRO 421 Ca 0.71 1.95 -0.28 0.00 0.04 0.00 0.00 61.00 63.42 3mee s PRO 421 Cb -0.26 -3.18 -0.09 0.00 0.04 0.00 0.00 34.50 31.01 3mee s PRO 421 CO 0.49 -0.01 0.95 -0.51 0.04 0.00 0.00 177.00 177.96 3mee s LEU 422 N -1.06 4.48 -0.04 -3.56 1.43 -1.26 -4.61 118.68 114.05 3mee s LEU 422 Ca 0.49 1.91 -0.27 0.00 -1.03 0.00 0.00 54.13 55.23 3mee s LEU 422 Cb -0.34 -3.83 -0.03 0.00 0.03 0.00 0.00 46.19 42.02 3mee s LEU 422 CO 0.42 0.02 0.87 0.54 0.23 0.00 0.00 176.35 178.43 3mee s VAL 423 N -1.41 4.93 0.19 -1.59 0.11 -0.16 -5.04 120.40 117.44 3mee s VAL 423 Ca 0.46 1.80 -0.06 0.00 -2.93 0.00 0.00 61.98 61.25 3mee s VAL 423 Cb -0.22 -4.20 -0.02 0.00 -1.53 0.00 0.00 36.38 30.40 3mee s VAL 423 CO 0.28 0.18 0.25 -1.59 -3.33 0.00 0.00 175.10 170.88 3mee s LYS 424 N 1.07 1.22 -0.12 1.54 -2.85 -1.26 -4.58 119.74 114.75 3mee s LYS 424 Ca 0.46 -1.36 -0.24 0.00 -1.00 0.00 0.00 55.97 53.82 3mee s LYS 424 Cb -0.19 0.35 -0.03 0.00 -2.06 0.00 0.00 37.83 35.90 3mee s LYS 424 CO 0.23 -0.43 0.75 -0.51 0.10 0.00 0.00 175.35 175.48 3mee s LEU 425 N -3.05 4.24 0.12 2.77 1.43 -1.26 -4.81 118.68 118.12 3mee s LEU 425 Ca 0.26 1.15 0.24 0.00 -1.03 0.00 0.00 54.13 54.74 3mee s LEU 425 Cb 0.04 -3.13 0.38 0.00 0.03 0.00 0.00 46.19 43.51 3mee s LEU 425 CO 0.06 -0.26 1.36 0.79 0.23 0.00 0.00 176.35 178.52 3mee n TRP 426 N 4.56 0.57 -3.54 0.29 7.02 -1.26 -4.89 117.44 120.19 3mee n TRP 426 Ca 0.01 0.17 -0.12 0.00 -1.02 0.00 0.00 57.50 56.54 3mee n TRP 426 Cb 0.50 -0.67 -0.05 0.00 -2.42 0.00 0.00 31.31 28.67 3mee n TRP 426 CO 0.00 0.00 0.00 1.52 -2.02 0.00 0.00 177.69 177.19 3mee s TYR 427 N -3.16 -0.45 -0.08 -5.99 1.13 -1.26 -4.74 117.35 102.80 3mee s TYR 427 Ca 0.07 0.68 0.04 0.00 -1.41 0.00 0.00 57.07 56.45 3mee s TYR 427 Cb 0.13 0.46 -0.00 0.00 -1.10 0.00 0.00 41.96 41.45 3mee s TYR 427 CO 0.71 -0.47 -0.21 -0.65 -2.51 0.00 0.00 175.55 172.41 3mee s GLN 428 N -1.60 2.54 0.38 -3.49 -0.21 -1.26 -5.00 119.66 111.02 3mee s GLN 428 Ca -0.03 -0.77 -0.26 0.00 0.02 0.00 0.00 55.36 54.32 3mee s GLN 428 Cb -0.00 -2.02 -0.09 0.00 1.00 0.00 0.00 33.01 31.90 3mee s GLN 428 CO 0.01 0.21 1.20 -0.51 -2.12 0.00 0.00 175.29 174.08 3mee s LEU 429 N 0.24 4.26 0.83 2.90 1.43 -1.26 -4.73 118.68 122.34 3mee s LEU 429 Ca -0.13 2.43 -0.13 0.00 -1.03 0.00 0.00 54.13 55.27 3mee s LEU 429 Cb -0.16 -3.92 0.08 0.00 0.03 0.00 0.00 46.19 42.22 3mee s LEU 429 CO 0.06 -0.64 1.11 -0.62 0.23 0.00 0.00 176.35 176.49 3mee n GLU 430 N 0.27 0.08 -0.01 1.70 -0.58 -0.11 -4.96 120.64 117.03 3mee n GLU 430 Ca 0.03 0.10 0.09 0.00 -0.42 0.00 0.00 57.16 56.96 3mee n GLU 430 Cb 0.45 -2.36 -0.13 0.00 -0.57 0.00 0.00 31.44 28.83 3mee n GLU 430 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3mee n LYS 431 N -3.16 0.70 -4.14 3.49 5.02 -1.26 -4.73 118.16 114.08 3mee n LYS 431 Ca 0.13 -0.12 -0.17 0.00 -2.02 0.00 0.00 58.31 56.13 3mee n LYS 431 Cb 0.51 -1.41 -0.12 0.00 -0.02 0.00 0.00 35.03 33.99 3mee n LYS 431 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3mee s GLU 432 N -3.12 0.74 0.57 1.97 0.41 -1.26 -5.12 118.70 112.90 3mee s GLU 432 Ca -0.03 -0.91 -0.20 0.00 -0.41 0.00 0.00 54.97 53.43 3mee s GLU 432 Cb 0.12 -0.67 -0.05 0.00 -1.78 0.00 0.00 34.13 31.75 3mee s GLU 432 CO 0.76 0.14 1.03 -0.35 -0.49 0.00 0.00 175.26 176.36 3mee n PRO 433 N 1.30 1.06 -3.59 0.39 -0.04 -1.26 -4.85 135.00 128.01 3mee n PRO 433 Ca -0.21 0.40 -0.37 0.00 -0.04 0.00 0.00 63.50 63.28 3mee n PRO 433 Cb 0.54 -2.22 -0.07 0.00 -0.04 0.00 0.00 33.50 31.72 3mee n PRO 433 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3mee s ILE 434 N -1.45 5.30 0.30 0.52 1.01 -1.26 -5.08 121.20 120.54 3mee s ILE 434 Ca 0.74 0.52 -0.27 0.00 0.00 0.00 0.00 60.65 61.63 3mee s ILE 434 Cb -0.43 -3.60 -0.10 0.00 0.01 0.00 0.00 42.46 38.34 3mee s ILE 434 CO 0.48 0.44 0.95 -0.69 0.00 0.00 0.00 174.94 176.13 3mee s VAL 435 N 0.09 4.12 -0.03 2.92 1.01 -1.26 -3.65 120.40 123.60 3mee s VAL 435 Ca 0.17 1.88 0.00 0.00 0.00 0.00 0.00 61.98 64.02 3mee s VAL 435 Cb -0.13 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.16 3mee s VAL 435 CO 0.05 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.01 3mee n GLY 436 N 0.85 0.40 3.43 4.51 0.00 -1.26 -5.00 105.19 108.13 3mee n GLY 436 Ca 0.01 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3mee n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mee s ALA 437 N -1.79 2.81 0.26 4.61 0.00 -1.24 -5.05 121.76 121.36 3mee s ALA 437 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.78 3mee s ALA 437 Cb 0.00 -1.41 -0.14 0.00 0.00 0.00 0.00 23.12 21.58 3mee s ALA 437 CO 0.00 0.19 1.25 -1.91 0.00 0.00 0.00 175.76 175.28 3mee n GLU 438 N 3.61 1.75 -3.31 0.00 2.13 -1.26 -4.49 120.64 119.07 3mee n GLU 438 Ca -0.18 0.62 -0.41 0.00 0.66 0.00 0.00 57.16 57.85 3mee n GLU 438 Cb 0.52 -2.16 -0.09 0.00 0.27 0.00 0.00 31.44 29.99 3mee n GLU 438 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3mee s THR 439 N -0.55 5.08 -0.43 6.31 2.01 -1.26 -1.42 115.64 125.39 3mee s THR 439 Ca 0.64 0.08 -0.19 0.00 0.31 0.00 0.00 61.69 62.53 3mee s THR 439 Cb -0.68 -3.93 0.02 0.00 0.01 0.00 0.00 72.50 67.92 3mee s THR 439 CO 0.55 -0.22 0.52 -0.36 -0.69 0.00 0.00 174.62 174.42 3mee s PHE 440 N 2.21 3.13 -0.52 4.92 0.40 0.85 -2.54 117.98 126.42 3mee s PHE 440 Ca 0.15 -0.25 -0.26 0.00 -0.60 0.00 0.00 56.93 55.97 3mee s PHE 440 Cb -0.16 -3.09 0.03 0.00 0.51 0.00 0.00 43.02 40.31 3mee s PHE 440 CO 0.13 -0.78 1.00 0.71 0.70 0.00 0.00 175.22 176.99 3mee s TYR 441 N 2.42 2.80 0.30 0.36 1.51 0.16 -0.74 117.35 124.16 3mee s TYR 441 Ca 0.16 0.26 0.07 0.00 -1.01 0.00 0.00 57.07 56.55 3mee s TYR 441 Cb -0.16 -4.16 -0.03 0.00 -0.11 0.00 0.00 41.96 37.50 3mee s TYR 441 CO 0.16 -1.31 0.26 0.14 -1.11 0.00 0.00 175.55 173.68 3mee s VAL 442 N 4.13 3.99 -0.28 0.71 -7.23 -0.54 -1.38 120.40 119.80 3mee s VAL 442 Ca 0.36 -1.36 -0.24 0.00 -1.81 0.00 0.00 61.98 58.93 3mee s VAL 442 Cb -0.10 -3.30 0.12 0.00 0.56 0.00 0.00 36.38 33.65 3mee s VAL 442 CO 0.24 -0.25 1.00 -0.62 -0.31 0.00 0.00 175.10 175.15 3mee s ASP 443 N -3.94 -0.49 0.11 4.85 3.68 -0.53 -4.61 116.67 115.74 3mee s ASP 443 Ca 0.37 0.92 0.05 0.00 2.13 0.00 0.00 52.55 56.02 3mee s ASP 443 Cb -0.07 0.96 -0.04 0.00 -1.45 0.00 0.00 42.92 42.33 3mee s ASP 443 CO 0.26 -0.16 -0.12 -0.83 0.13 0.00 0.00 175.17 174.45 3mee s GLY 444 N 0.37 0.95 0.19 2.66 0.00 -1.26 -1.27 107.32 108.96 3mee s GLY 444 Ca 0.02 -1.22 -0.16 0.00 0.00 0.00 0.00 44.72 43.36 3mee s GLY 444 CO -0.07 -1.28 0.48 0.00 0.00 0.00 0.00 173.10 172.23 3mee s ALA 445 N -2.21 -0.72 -0.21 3.20 0.00 -0.45 -4.43 121.76 116.94 3mee s ALA 445 Ca 0.06 -0.39 -0.14 0.00 0.00 0.00 0.00 51.96 51.49 3mee s ALA 445 Cb -0.04 0.86 0.06 0.00 0.00 0.00 0.00 23.12 24.00 3mee s ALA 445 CO 0.02 -0.78 0.53 0.00 0.00 0.00 0.00 175.76 175.52 3mee s ALA 446 N -3.90 -1.37 -0.17 0.00 0.00 -1.26 -2.22 121.76 112.83 3mee s ALA 446 Ca 0.11 1.79 -0.28 0.00 0.00 0.00 0.00 51.96 53.58 3mee s ALA 446 Cb -0.00 -1.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.05 3mee s ALA 446 CO -0.01 -0.30 0.98 1.21 0.00 0.00 0.00 175.76 177.64 3mee s ASN 447 N 1.15 7.12 0.33 0.00 3.04 -0.45 -4.75 114.94 121.38 3mee s ASN 447 Ca -0.07 1.39 0.05 0.00 0.04 0.00 0.00 52.86 54.27 3mee s ASN 447 Cb -0.06 -2.53 0.57 0.00 -1.54 0.00 0.00 41.25 37.69 3mee s ASN 447 CO -0.11 -0.53 1.82 0.03 -3.04 0.00 0.00 177.10 175.27 3mee h ARG 448 N 7.30 0.44 0.00 0.43 3.08 -1.96 0.21 114.38 123.89 3mee h ARG 448 Ca -0.26 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3mee h ARG 448 Cb 1.11 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3mee h ARG 448 CO 0.90 0.57 -0.36 0.93 -1.07 0.00 0.00 179.97 180.94 3mee h GLU 449 N 0.41 0.00 0.00 0.04 3.07 -1.97 -3.35 114.58 112.78 3mee h GLU 449 Ca 0.08 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.60 3mee h GLU 449 Cb 0.47 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.32 3mee h GLU 449 CO 0.03 0.00 -2.29 2.41 -1.40 0.00 0.00 179.01 177.76 3mee n THR 450 N -2.31 1.29 -1.05 1.13 -1.04 -0.88 -4.97 114.28 106.44 3mee n THR 450 Ca 0.04 -0.75 -0.02 0.00 -2.04 0.00 0.00 64.05 61.28 3mee n THR 450 Cb 0.45 -0.63 -0.01 0.00 -1.82 0.00 0.00 70.33 68.33 3mee n THR 450 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3mee n LYS 451 N -2.76 -0.77 -3.33 -2.82 4.01 0.01 -4.73 118.16 107.77 3mee n LYS 451 Ca -0.32 0.33 -0.36 0.00 -0.51 0.00 0.00 58.31 57.45 3mee n LYS 451 Cb 1.08 -4.00 -0.06 0.00 -0.51 0.00 0.00 35.03 31.55 3mee n LYS 451 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3mee s LEU 452 N -0.41 4.37 0.04 -0.35 2.96 -1.25 0.08 118.68 124.13 3mee s LEU 452 Ca 0.00 1.13 0.01 0.00 -0.22 0.00 0.00 54.13 55.05 3mee s LEU 452 Cb 0.00 -3.21 -0.03 0.00 0.50 0.00 0.00 46.19 43.45 3mee s LEU 452 CO 0.00 0.13 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.28 3mee s GLY 453 N -1.59 0.45 0.03 7.98 0.00 0.14 -1.34 107.32 112.99 3mee s GLY 453 Ca 0.36 -0.85 0.08 0.00 0.00 0.00 0.00 44.72 44.31 3mee s GLY 453 CO 0.19 -0.93 -0.22 0.54 0.00 0.00 0.00 173.10 172.68 3mee s LYS 454 N -2.21 1.57 -0.01 2.90 1.02 -0.94 0.78 119.74 122.85 3mee s LYS 454 Ca -0.06 -0.95 0.01 0.00 0.02 0.00 0.00 55.97 54.99 3mee s LYS 454 Cb -0.05 -1.67 0.01 0.00 -0.52 0.00 0.00 37.83 35.60 3mee s LYS 454 CO -0.02 0.43 -0.03 0.00 -0.92 0.00 0.00 175.35 174.81 3mee s ALA 455 N -0.74 0.37 0.16 5.17 0.00 -0.28 -1.34 121.76 125.11 3mee s ALA 455 Ca 0.09 -0.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.84 3mee s ALA 455 Cb -0.09 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.90 3mee s ALA 455 CO 0.01 0.04 0.63 0.41 0.00 0.00 0.00 175.76 176.85 3mee n GLY 456 N 3.37 0.99 3.35 0.00 0.00 -0.40 -0.67 105.19 111.83 3mee n GLY 456 Ca -0.18 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 3mee n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mee s TYR 457 N -3.78 -0.33 0.19 1.61 -0.85 -0.73 -1.45 117.35 112.02 3mee s TYR 457 Ca 0.14 0.40 0.11 0.00 -0.52 0.00 0.00 57.07 57.19 3mee s TYR 457 Cb -0.02 0.24 -0.04 0.00 0.38 0.00 0.00 41.96 42.52 3mee s TYR 457 CO 0.05 -0.56 -0.23 0.08 -1.52 0.00 0.00 175.55 173.38 3mee s VAL 458 N -2.08 2.26 0.30 -3.49 1.01 -0.48 -2.46 120.40 115.46 3mee s VAL 458 Ca -0.08 -2.04 0.04 0.00 0.00 0.00 0.00 61.98 59.91 3mee s VAL 458 Cb -0.02 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.22 3mee s VAL 458 CO 0.01 -0.18 0.03 0.42 0.00 0.00 0.00 175.10 175.38 3mee s THR 459 N -1.81 1.24 -0.75 3.92 -4.23 -0.27 -0.66 115.64 113.08 3mee s THR 459 Ca 0.20 -2.03 0.25 0.00 -1.18 0.00 0.00 61.69 58.93 3mee s THR 459 Cb -0.07 -2.64 0.25 0.00 1.34 0.00 0.00 72.50 71.37 3mee s THR 459 CO 0.10 -0.12 1.75 -0.46 -0.54 0.00 0.00 174.62 175.35 3mee n ASN 460 N -0.61 0.51 -0.91 3.99 6.94 -1.05 -1.43 115.26 122.69 3mee n ASN 460 Ca -0.03 0.57 0.11 0.00 -0.02 0.00 0.00 54.58 55.21 3mee n ASN 460 Cb 0.65 -0.70 0.27 0.00 -2.36 0.00 0.00 39.78 37.65 3mee n ASN 460 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3mee n ARG 461 N -2.01 2.18 -0.59 -3.83 1.74 -1.26 -4.95 116.66 107.95 3mee n ARG 461 Ca 0.05 -1.79 0.00 0.00 -0.77 0.00 0.00 57.85 55.34 3mee n ARG 461 Cb 0.33 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3mee n ARG 461 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mee n GLY 462 N 1.34 0.97 3.75 -0.13 0.00 -0.52 -5.03 105.19 105.57 3mee n GLY 462 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3mee n GLY 462 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mee s ARG 463 N -0.33 2.90 0.15 1.61 0.52 -1.26 -4.77 118.95 117.78 3mee s ARG 463 Ca 0.00 2.01 -0.12 0.00 -0.52 0.00 0.00 55.73 57.10 3mee s ARG 463 Cb 0.00 -2.00 0.01 0.00 0.52 0.00 0.00 34.95 33.47 3mee s ARG 463 CO 0.00 -1.31 0.34 -0.65 0.02 0.00 0.00 175.30 173.70 3mee s GLN 464 N -3.21 1.15 0.00 3.54 -0.21 -1.26 -1.11 119.66 118.55 3mee s GLN 464 Ca 0.77 -1.01 0.00 0.00 0.02 0.00 0.00 55.36 55.14 3mee s GLN 464 Cb -0.35 0.42 0.00 0.00 1.00 0.00 0.00 33.01 34.07 3mee s GLN 464 CO 0.39 -0.43 0.00 1.17 -2.12 0.00 0.00 175.29 174.30 3mee n LYS 465 N -0.22 0.00 -3.81 2.91 4.81 -1.03 -4.97 118.16 115.86 3mee n LYS 465 Ca -0.10 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.21 3mee n LYS 465 Cb 0.63 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.55 3mee n LYS 465 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3mee s VAL 466 N -1.28 -0.01 -0.02 3.15 0.11 -1.26 -1.77 120.40 119.32 3mee s VAL 466 Ca 0.00 0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.14 3mee s VAL 466 Cb 0.00 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.62 3mee s VAL 466 CO 0.00 0.01 -0.18 0.68 -3.33 0.00 0.00 175.10 172.28 3mee s VAL 467 N 0.28 1.47 0.13 2.04 -7.23 0.16 -4.96 120.40 112.29 3mee s VAL 467 Ca -0.02 -0.79 -0.20 0.00 -1.81 0.00 0.00 61.98 59.16 3mee s VAL 467 Cb -0.03 -1.23 -0.07 0.00 0.56 0.00 0.00 36.38 35.61 3mee s VAL 467 CO -0.01 0.42 0.65 -0.89 -0.31 0.00 0.00 175.10 174.96 3mee s THR 468 N -0.36 4.63 0.06 5.32 2.01 -1.26 -1.12 115.64 124.91 3mee s THR 468 Ca 0.05 1.31 0.06 0.00 0.31 0.00 0.00 61.69 63.42 3mee s THR 468 Cb -0.08 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 3mee s THR 468 CO -0.00 0.44 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.46 3mee s LEU 469 N -1.38 2.22 0.25 4.42 1.02 0.23 -4.97 118.68 120.47 3mee s LEU 469 Ca 0.34 -0.54 0.09 0.00 0.02 0.00 0.00 54.13 54.04 3mee s LEU 469 Cb -0.19 -0.65 -0.04 0.00 0.02 0.00 0.00 46.19 45.32 3mee s LEU 469 CO 0.21 0.02 -0.01 0.42 0.02 0.00 0.00 176.35 177.01 3mee s THR 470 N -1.01 3.47 -1.23 5.49 -4.23 -1.26 0.28 115.64 117.14 3mee s THR 470 Ca 0.02 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 3mee s THR 470 Cb -0.09 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 70.92 3mee s THR 470 CO 0.02 -0.32 0.00 -0.90 -0.54 0.00 0.00 174.62 172.88 3mee n ASP 471 N -0.73 -3.16 -4.97 3.99 5.68 0.11 -4.90 116.55 112.57 3mee n ASP 471 Ca -0.07 0.29 -0.21 0.00 -0.50 0.00 0.00 54.79 54.29 3mee n ASP 471 Cb 0.58 -2.98 0.03 0.00 -1.14 0.00 0.00 41.12 37.61 3mee n ASP 471 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3mee s THR 472 N -2.05 3.02 0.41 2.12 -1.32 0.22 -4.99 115.64 113.05 3mee s THR 472 Ca 0.00 -0.68 0.07 0.00 -1.21 0.00 0.00 61.69 59.87 3mee s THR 472 Cb 0.00 -3.11 -0.05 0.00 -1.51 0.00 0.00 72.50 67.83 3mee s THR 472 CO 0.00 -0.07 0.17 0.42 -2.21 0.00 0.00 174.62 172.93 3mee s THR 473 N -2.65 2.34 0.28 5.08 -4.23 -1.26 -4.52 115.64 110.68 3mee s THR 473 Ca 0.55 -1.70 -0.02 0.00 -1.18 0.00 0.00 61.69 59.33 3mee s THR 473 Cb -0.10 -2.99 0.27 0.00 1.34 0.00 0.00 72.50 71.02 3mee s THR 473 CO 0.37 -0.01 1.91 0.78 -0.54 0.00 0.00 174.62 177.13 3mee h ASN 474 N 1.44 1.02 -0.41 3.99 2.35 -1.88 -2.01 115.58 120.09 3mee h ASN 474 Ca -0.43 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.21 3mee h ASN 474 Cb 1.25 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.38 3mee h ASN 474 CO 0.70 0.69 -0.15 1.56 -1.65 0.00 0.00 177.43 178.58 3mee h GLN 475 N 1.18 0.88 -0.31 0.81 4.20 -1.96 -2.74 115.11 117.17 3mee h GLN 475 Ca 0.39 -0.33 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 3mee h GLN 475 Cb 0.06 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3mee h GLN 475 CO -0.13 0.97 -0.22 0.87 -0.67 0.00 0.00 178.83 179.65 3mee h LYS 476 N 0.78 0.69 -0.51 1.46 1.57 -1.86 -2.88 116.57 115.82 3mee h LYS 476 Ca 0.12 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 3mee h LYS 476 Cb 0.68 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 3mee h LYS 476 CO 0.05 0.93 0.10 1.79 -0.57 0.00 0.00 179.45 181.75 3mee h THR 477 N 0.44 1.22 -0.18 -0.16 1.35 -1.24 0.13 112.91 114.47 3mee h THR 477 Ca 0.06 -0.84 -0.04 0.00 -0.55 0.00 0.00 66.41 65.04 3mee h THR 477 Cb 0.77 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 67.91 3mee h THR 477 CO 0.06 0.31 -0.08 -0.33 -0.25 0.00 0.00 175.52 175.23 3mee h GLU 478 N 0.76 0.28 0.15 4.72 5.08 -1.44 -0.54 114.58 123.59 3mee h GLU 478 Ca 0.16 -0.06 -0.29 0.00 -1.00 0.00 0.00 59.36 58.18 3mee h GLU 478 Cb 0.32 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.55 3mee h GLU 478 CO 0.00 0.37 -1.27 1.25 -1.00 0.00 0.00 179.01 178.36 3mee h LEU 479 N 0.27 0.61 -0.82 1.33 5.85 -1.04 -3.21 115.31 118.30 3mee h LEU 479 Ca 0.06 -0.62 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 3mee h LEU 479 Cb 0.31 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3mee h LEU 479 CO 0.01 1.47 0.46 1.56 -0.34 0.00 0.00 178.44 181.60 3mee h GLN 480 N 0.14 1.13 -0.34 1.25 1.08 -0.35 -0.39 115.11 117.64 3mee h GLN 480 Ca -0.17 -0.13 -0.05 0.00 -1.45 0.00 0.00 58.65 56.85 3mee h GLN 480 Cb 1.97 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 29.16 3mee h GLN 480 CO 0.22 0.83 -0.01 0.00 -0.95 0.00 0.00 178.83 178.92 3mee h ALA 481 N 1.24 1.36 0.07 3.87 0.00 -1.17 0.37 119.26 125.00 3mee h ALA 481 Ca 0.29 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.72 3mee h ALA 481 Cb 0.02 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.68 3mee h ALA 481 CO -0.05 0.44 -1.14 0.82 0.00 0.00 0.00 179.25 179.32 3mee h ILE 482 N 0.50 1.31 -0.72 0.00 2.04 -1.47 -2.30 117.51 116.87 3mee h ILE 482 Ca 0.11 -2.44 0.07 0.00 1.00 0.00 0.00 64.86 63.59 3mee h ILE 482 Cb 0.34 2.58 -0.06 0.00 -0.74 0.00 0.00 36.82 38.94 3mee h ILE 482 CO 0.01 0.74 0.41 0.22 0.00 0.00 0.00 178.15 179.53 3mee h TYR 483 N 0.29 0.75 -0.47 1.37 3.20 -0.45 -1.77 116.97 119.89 3mee h TYR 483 Ca -0.15 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.74 3mee h TYR 483 Cb 1.81 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.83 3mee h TYR 483 CO 0.10 0.35 0.27 -0.07 -1.64 0.00 0.00 178.16 177.17 3mee h LEU 484 N 0.74 0.58 -1.64 2.82 3.38 -0.20 -1.42 115.31 119.57 3mee h LEU 484 Ca 0.33 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3mee h LEU 484 Cb 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3mee h LEU 484 CO -0.19 0.48 0.09 0.00 0.09 0.00 0.00 178.44 178.91 3mee h ALA 485 N 1.12 1.72 -0.02 1.53 0.00 -1.12 -2.39 119.26 120.09 3mee h ALA 485 Ca 0.17 -0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.75 3mee h ALA 485 Cb 0.02 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.73 3mee h ALA 485 CO -0.03 0.23 -1.00 -0.07 0.00 0.00 0.00 179.25 178.37 3mee h LEU 486 N 0.33 0.92 -0.55 0.00 3.38 -0.70 -2.66 115.31 116.03 3mee h LEU 486 Ca 0.08 -0.72 -0.08 0.00 0.09 0.00 0.00 57.88 57.26 3mee h LEU 486 Cb 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3mee h LEU 486 CO -0.01 1.52 0.03 1.56 0.09 0.00 0.00 178.44 181.63 3mee h GLN 487 N 0.42 0.96 -0.00 1.13 4.20 -1.00 -3.19 115.11 117.62 3mee h GLN 487 Ca -0.12 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.30 3mee h GLN 487 Cb 1.65 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.34 3mee h GLN 487 CO 0.20 0.95 -0.31 -0.25 -0.67 0.00 0.00 178.83 178.74 3mee n ASP 488 N -4.29 0.63 -4.94 1.46 8.00 -0.93 -4.92 116.55 111.56 3mee n ASP 488 Ca 0.02 -0.45 -0.24 0.00 0.71 0.00 0.00 54.79 54.83 3mee n ASP 488 Cb 0.31 0.09 0.02 0.00 -0.02 0.00 0.00 41.12 41.52 3mee n ASP 488 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3mee s SER 489 N -2.75 5.77 1.01 -2.24 1.04 -1.00 -5.09 113.70 110.44 3mee s SER 489 Ca 0.19 0.42 -0.03 0.00 0.48 0.00 0.00 55.95 57.01 3mee s SER 489 Cb 0.19 -1.60 0.04 0.00 0.10 0.00 0.00 66.02 64.75 3mee s SER 489 CO 0.59 -0.81 0.23 0.61 0.98 0.00 0.00 173.24 174.84 3mee n GLY 490 N -2.23 -1.37 0.30 7.32 0.00 -1.26 -4.94 105.19 103.00 3mee n GLY 490 Ca 0.02 -1.65 0.17 0.00 0.00 0.00 0.00 46.02 44.57 3mee n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mee h LEU 491 N 0.00 0.00 -8.51 0.99 3.38 -1.95 -3.39 115.31 105.83 3mee h LEU 491 Ca -0.07 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.21 3mee h LEU 491 Cb 0.21 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.65 3mee h LEU 491 CO 0.05 0.04 -0.88 -1.61 0.09 0.00 0.00 178.44 176.13 3mee s GLU 492 N -4.14 2.33 -0.27 1.13 2.02 -1.26 -0.19 118.70 118.32 3mee s GLU 492 Ca -0.03 -0.89 -0.24 0.00 0.02 0.00 0.00 54.97 53.83 3mee s GLU 492 Cb 0.13 -2.06 0.08 0.00 0.10 0.00 0.00 34.13 32.37 3mee s GLU 492 CO 0.52 0.43 0.74 0.54 0.02 0.00 0.00 175.26 177.51 3mee s VAL 493 N -0.31 0.00 -0.10 2.63 0.11 -0.70 -4.29 120.40 117.75 3mee s VAL 493 Ca 0.01 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.01 3mee s VAL 493 Cb -0.12 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 3mee s VAL 493 CO 0.02 0.00 0.12 0.20 -3.33 0.00 0.00 175.10 172.10 3mee s ASN 494 N 0.56 6.14 -0.09 3.54 0.01 -0.51 -1.82 114.94 122.77 3mee s ASN 494 Ca -0.01 0.38 0.00 0.00 -0.71 0.00 0.00 52.86 52.52 3mee s ASN 494 Cb -0.05 -1.93 0.02 0.00 0.41 0.00 0.00 41.25 39.70 3mee s ASN 494 CO -0.03 0.39 -0.07 -0.63 -1.51 0.00 0.00 177.10 175.25 3mee s ILE 495 N -1.04 0.87 -0.20 0.60 1.01 0.44 -0.11 121.20 122.78 3mee s ILE 495 Ca 0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.54 3mee s ILE 495 Cb -0.12 -0.90 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 3mee s ILE 495 CO 0.05 0.33 -0.04 -0.69 0.00 0.00 0.00 174.94 174.59 3mee s VAL 496 N 1.45 3.52 0.23 2.92 1.01 0.09 -0.58 120.40 129.04 3mee s VAL 496 Ca -0.01 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3mee s VAL 496 Cb -0.13 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 3mee s VAL 496 CO -0.04 0.44 -0.02 0.28 0.00 0.00 0.00 175.10 175.75 3mee s THR 497 N 1.14 1.14 -0.43 3.92 -1.32 -0.02 -1.47 115.64 118.60 3mee s THR 497 Ca 0.02 -2.05 0.05 0.00 -1.21 0.00 0.00 61.69 58.50 3mee s THR 497 Cb -0.15 -2.29 0.14 0.00 -1.51 0.00 0.00 72.50 68.70 3mee s THR 497 CO -0.00 -0.38 1.12 -0.90 -2.21 0.00 0.00 174.62 172.25 3mee n ASP 498 N -0.41 2.43 -4.43 8.08 3.85 -1.26 -0.06 116.55 124.75 3mee n ASP 498 Ca -0.06 -2.00 -0.44 0.00 -0.71 0.00 0.00 54.79 51.58 3mee n ASP 498 Cb 0.63 -0.11 -0.05 0.00 -1.35 0.00 0.00 41.12 40.24 3mee n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 3mee s SER 499 N -1.00 6.22 0.36 -1.12 0.15 -1.26 -4.58 113.70 112.46 3mee s SER 499 Ca 0.11 -1.01 0.04 0.00 0.70 0.00 0.00 55.95 55.79 3mee s SER 499 Cb 0.06 -2.31 0.69 0.00 -1.71 0.00 0.00 66.02 62.74 3mee s SER 499 CO 0.07 -1.02 1.97 -0.61 1.20 0.00 0.00 173.24 174.86 3mee h GLN 500 N 9.11 0.64 -0.05 5.44 4.15 -1.93 -2.22 115.11 130.24 3mee h GLN 500 Ca -0.28 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.10 3mee h GLN 500 Cb 1.09 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.62 3mee h GLN 500 CO 1.03 0.50 -0.15 -0.92 -1.93 0.00 0.00 178.83 177.35 3mee h TYR 501 N 0.64 -0.39 -0.60 3.99 3.20 -2.00 0.31 116.97 122.12 3mee h TYR 501 Ca 0.16 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 3mee h TYR 501 Cb 0.07 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3mee h TYR 501 CO 0.00 -0.22 0.04 0.00 -1.64 0.00 0.00 178.16 176.35 3mee h ALA 502 N 0.76 0.93 -0.46 1.82 0.00 -1.88 -2.73 119.26 117.70 3mee h ALA 502 Ca 0.07 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3mee h ALA 502 Cb 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3mee h ALA 502 CO -0.19 0.65 0.08 1.25 0.00 0.00 0.00 179.25 181.04 3mee h LEU 503 N 0.95 0.73 0.04 0.00 6.46 -1.11 -1.84 115.31 120.54 3mee h LEU 503 Ca 0.18 -0.26 0.02 0.00 -0.12 0.00 0.00 57.88 57.70 3mee h LEU 503 Cb 0.49 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 3mee h LEU 503 CO 0.02 0.80 -0.16 1.23 -0.62 0.00 0.00 178.44 179.71 3mee h GLY 504 N 0.63 -0.25 0.52 3.75 0.00 -0.79 0.16 103.07 107.10 3mee h GLY 504 Ca 0.14 0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 3mee h GLY 504 CO 0.01 -0.16 -0.41 -2.22 0.00 0.00 0.00 176.54 173.76 3mee h ILE 505 N -0.29 0.17 -0.23 2.60 2.04 -1.24 -2.84 117.51 117.72 3mee h ILE 505 Ca 0.04 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.74 3mee h ILE 505 Cb 0.34 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3mee h ILE 505 CO -0.13 0.00 -0.53 0.40 0.00 0.00 0.00 178.15 177.90 3mee h ILE 506 N -0.80 1.31 0.00 -0.67 2.04 -1.23 -2.46 117.51 115.70 3mee h ILE 506 Ca -0.03 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.09 3mee h ILE 506 Cb 0.73 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 3mee h ILE 506 CO -0.10 0.55 0.00 1.67 0.00 0.00 0.00 178.15 180.27 3mee n GLN 507 N -3.98 0.16 -0.10 2.37 7.27 0.55 -0.73 117.38 122.91 3mee n GLN 507 Ca -0.03 0.54 0.07 0.00 0.07 0.00 0.00 57.00 57.64 3mee n GLN 507 Cb 0.60 -1.90 0.25 0.00 2.41 0.00 0.00 30.24 31.60 3mee n GLN 507 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3mee n ALA 508 N -1.76 2.50 -3.99 1.69 0.00 -0.92 -4.93 120.51 113.09 3mee n ALA 508 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 53.44 52.72 3mee n ALA 508 Cb 0.12 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3mee n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3mee n GLN 509 N 0.13 -4.28 -1.64 0.00 6.02 0.09 -4.84 117.38 112.85 3mee n GLN 509 Ca 0.11 0.49 -0.38 0.00 -0.01 0.00 0.00 57.00 57.21 3mee n GLN 509 Cb 0.23 -5.13 0.05 0.00 1.02 0.00 0.00 30.24 26.40 3mee n GLN 509 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3mee n PRO 510 N -4.49 1.12 0.00 -1.09 -0.04 -1.26 -4.70 135.00 124.54 3mee n PRO 510 Ca -0.06 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 3mee n PRO 510 Cb 0.57 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 3mee n PRO 510 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3mee n ASP 511 N -0.65 1.46 -3.51 3.54 5.68 -0.70 -4.93 116.55 117.43 3mee n ASP 511 Ca 0.12 -1.56 -0.11 0.00 -0.50 0.00 0.00 54.79 52.75 3mee n ASP 511 Cb 0.46 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.40 3mee n ASP 511 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mee s GLN 512 N -0.56 0.87 0.09 0.11 -2.07 -1.02 -4.99 119.66 112.10 3mee s GLN 512 Ca 0.00 -0.14 -0.22 0.00 -1.82 0.00 0.00 55.36 53.18 3mee s GLN 512 Cb 0.00 0.40 0.06 0.00 -1.09 0.00 0.00 33.01 32.38 3mee s GLN 512 CO 0.00 -0.34 0.53 0.45 -1.32 0.00 0.00 175.29 174.61 3mee s SER 513 N -2.00 -0.45 0.22 12.60 0.15 -1.26 -3.03 113.70 119.93 3mee s SER 513 Ca 0.00 0.05 0.25 0.00 0.70 0.00 0.00 55.95 56.96 3mee s SER 513 Cb -0.01 0.53 0.61 0.00 -1.71 0.00 0.00 66.02 65.44 3mee s SER 513 CO -0.04 -0.82 1.63 -0.33 1.20 0.00 0.00 173.24 174.87 3mee h GLU 514 N 2.45 0.00 -5.94 5.44 5.08 -1.81 -3.45 114.58 116.35 3mee h GLU 514 Ca -0.32 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.47 3mee h GLU 514 Cb 1.25 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 3mee h GLU 514 CO 0.41 0.00 -0.02 0.45 -1.00 0.00 0.00 179.01 178.85 3mee s SER 515 N -4.74 6.87 0.16 1.42 0.15 -1.26 -4.97 113.70 111.33 3mee s SER 515 Ca 0.09 1.05 -0.12 0.00 0.70 0.00 0.00 55.95 57.66 3mee s SER 515 Cb 0.11 -2.35 0.05 0.00 -1.71 0.00 0.00 66.02 62.12 3mee s SER 515 CO 0.64 -0.01 1.67 -0.08 1.20 0.00 0.00 173.24 176.66 3mee h GLU 516 N 6.42 0.86 -0.05 5.44 4.57 -1.99 -1.89 114.58 127.93 3mee h GLU 516 Ca -0.42 -0.20 0.02 0.00 -1.18 0.00 0.00 59.36 57.58 3mee h GLU 516 Cb 1.19 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 29.61 3mee h GLU 516 CO 0.74 0.81 -0.54 1.25 -1.18 0.00 0.00 179.01 180.08 3mee h LEU 517 N 0.76 -1.69 -1.39 1.64 6.46 -1.99 -0.99 115.31 118.11 3mee h LEU 517 Ca 0.17 0.19 -0.00 0.00 -0.12 0.00 0.00 57.88 58.12 3mee h LEU 517 Cb 0.33 0.65 -0.03 0.00 -0.73 0.00 0.00 40.66 40.88 3mee h LEU 517 CO 0.00 -0.51 0.34 0.58 -0.62 0.00 0.00 178.44 178.22 3mee h VAL 518 N -0.64 1.16 -0.36 1.05 2.07 -1.92 0.32 116.25 117.91 3mee h VAL 518 Ca 0.02 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 3mee h VAL 518 Cb 0.71 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3mee h VAL 518 CO -0.39 0.16 -0.02 0.78 0.02 0.00 0.00 177.57 178.12 3mee h ASN 519 N 0.76 0.54 0.06 0.57 -0.26 -0.97 0.92 115.58 117.20 3mee h ASN 519 Ca 0.20 -0.11 -0.00 0.00 -0.56 0.00 0.00 56.30 55.82 3mee h ASN 519 Cb -0.03 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.08 3mee h ASN 519 CO -0.04 0.63 -0.03 1.56 -1.06 0.00 0.00 177.43 178.50 3mee h GLN 520 N 0.55 -0.07 -1.03 0.81 4.20 0.75 -0.31 115.11 120.01 3mee h GLN 520 Ca 0.11 0.00 0.26 0.00 0.06 0.00 0.00 58.65 59.08 3mee h GLN 520 Cb 0.38 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.08 3mee h GLN 520 CO 0.02 0.51 0.66 0.82 -0.67 0.00 0.00 178.83 180.16 3mee h ILE 521 N -0.73 0.55 -0.06 2.54 2.04 -0.48 0.15 117.51 121.51 3mee h ILE 521 Ca -0.01 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3mee h ILE 521 Cb 0.61 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3mee h ILE 521 CO 0.01 0.08 -0.10 0.40 0.00 0.00 0.00 178.15 178.54 3mee h ILE 522 N 0.43 1.40 -0.63 -0.67 2.04 -0.72 -1.66 117.51 117.69 3mee h ILE 522 Ca 0.59 -1.35 0.15 0.00 1.00 0.00 0.00 64.86 65.25 3mee h ILE 522 Cb 1.43 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 39.63 3mee h ILE 522 CO -0.30 0.37 0.44 -0.08 0.00 0.00 0.00 178.15 178.58 3mee h GLU 523 N -0.30 0.18 -0.04 2.37 4.57 0.63 -0.43 114.58 121.57 3mee h GLU 523 Ca 0.01 -0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 57.95 3mee h GLU 523 Cb 0.65 -0.04 0.02 0.00 -0.16 0.00 0.00 28.75 29.21 3mee h GLU 523 CO 0.02 0.12 -0.86 0.37 -1.18 0.00 0.00 179.01 177.48 3mee h GLN 524 N 0.19 0.65 -0.00 1.92 5.75 -0.59 -3.18 115.11 119.84 3mee h GLN 524 Ca 0.30 -0.65 -0.07 0.00 -0.15 0.00 0.00 58.65 58.09 3mee h GLN 524 Cb 0.93 0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.64 3mee h GLN 524 CO -0.05 1.25 -0.32 -0.07 -2.65 0.00 0.00 178.83 176.98 3mee h LEU 525 N 0.29 0.00 -0.89 -2.39 3.38 -0.13 -1.97 115.31 113.60 3mee h LEU 525 Ca -0.10 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3mee h LEU 525 Cb 1.52 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.24 3mee h LEU 525 CO 0.17 0.33 0.17 0.40 0.09 0.00 0.00 178.44 179.60 3mee h ILE 526 N 0.00 1.24 -0.17 1.22 1.08 -1.31 -3.07 117.51 116.51 3mee h ILE 526 Ca -0.00 -0.88 -0.12 0.00 -0.39 0.00 0.00 64.86 63.47 3mee h ILE 526 Cb 0.58 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 3mee h ILE 526 CO 0.04 0.33 -0.41 0.50 -0.69 0.00 0.00 178.15 177.93 3mee h LYS 527 N 0.95 0.38 -7.28 2.37 3.64 -1.35 -3.46 116.57 111.82 3mee h LYS 527 Ca 0.21 -0.19 -0.44 0.00 -1.27 0.00 0.00 60.65 58.96 3mee h LYS 527 Cb 0.31 0.00 0.18 0.00 -0.41 0.00 0.00 32.23 32.32 3mee h LYS 527 CO -0.00 0.73 0.11 0.15 -2.27 0.00 0.00 179.45 178.16 3mee s LYS 528 N -4.18 -0.46 -0.15 1.90 -0.14 -1.04 -4.98 119.74 110.68 3mee s LYS 528 Ca -0.06 0.50 0.03 0.00 -1.36 0.00 0.00 55.97 55.07 3mee s LYS 528 Cb 0.13 -1.63 -0.11 0.00 -1.68 0.00 0.00 37.83 34.53 3mee s LYS 528 CO 0.79 -3.33 -0.11 -1.91 -0.76 0.00 0.00 175.35 170.03 3mee n GLU 529 N -4.59 0.62 -3.69 1.68 4.07 0.74 -4.99 120.64 114.48 3mee n GLU 529 Ca 0.05 0.08 -0.11 0.00 -0.06 0.00 0.00 57.16 57.13 3mee n GLU 529 Cb 0.57 -1.31 -0.11 0.00 -0.06 0.00 0.00 31.44 30.53 3mee n GLU 529 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 3mee s LYS 530 N -2.31 0.34 -0.11 5.31 1.02 -0.75 -5.00 119.74 118.24 3mee s LYS 530 Ca -0.19 0.79 0.01 0.00 0.02 0.00 0.00 55.97 56.60 3mee s LYS 530 Cb 0.05 0.01 0.02 0.00 -0.52 0.00 0.00 37.83 37.39 3mee s LYS 530 CO 0.38 -0.18 -0.14 0.08 -0.92 0.00 0.00 175.35 174.57 3mee s VAL 531 N 1.62 1.46 -0.15 3.17 1.01 -1.26 -1.72 120.40 124.52 3mee s VAL 531 Ca -0.08 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 3mee s VAL 531 Cb -0.09 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 3mee s VAL 531 CO -0.12 0.43 -0.04 -0.47 0.00 0.00 0.00 175.10 174.91 3mee s TYR 532 N 1.11 3.03 -0.14 5.22 5.04 -0.76 -0.93 117.35 129.93 3mee s TYR 532 Ca -0.04 -0.28 0.01 0.00 -2.44 0.00 0.00 57.07 54.32 3mee s TYR 532 Cb -0.14 -1.95 -0.01 0.00 0.35 0.00 0.00 41.96 40.21 3mee s TYR 532 CO -0.03 -0.01 -0.16 -1.17 -1.34 0.00 0.00 175.55 172.83 3mee s LEU 533 N 0.31 2.50 0.09 6.97 0.20 -1.26 -0.42 118.68 127.07 3mee s LEU 533 Ca -0.04 -0.44 0.06 0.00 0.69 0.00 0.00 54.13 54.41 3mee s LEU 533 Cb -0.14 -1.56 -0.03 0.00 -0.43 0.00 0.00 46.19 44.03 3mee s LEU 533 CO 0.03 0.12 -0.16 0.00 -0.29 0.00 0.00 176.35 176.05 3mee s ALA 534 N 0.60 1.40 0.09 5.97 0.00 0.25 -4.97 121.76 125.10 3mee s ALA 534 Ca -0.09 -1.12 0.08 0.00 0.00 0.00 0.00 51.96 50.84 3mee s ALA 534 Cb -0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 3mee s ALA 534 CO 0.03 0.21 -0.17 -0.46 0.00 0.00 0.00 175.76 175.36 3mee s TRP 535 N -1.39 2.56 0.03 0.00 -0.00 -1.26 -0.84 118.94 118.04 3mee s TRP 535 Ca 0.02 -0.25 0.00 0.00 -0.00 0.00 0.00 56.10 55.87 3mee s TRP 535 Cb -0.09 -1.39 -0.02 0.00 -0.00 0.00 0.00 33.47 31.97 3mee s TRP 535 CO 0.03 0.35 -0.04 0.08 -0.00 0.00 0.00 176.95 177.37 3mee s VAL 536 N -1.08 0.22 0.12 5.86 1.01 0.91 -4.89 120.40 122.55 3mee s VAL 536 Ca 0.17 -1.04 -0.31 0.00 0.00 0.00 0.00 61.98 60.80 3mee s VAL 536 Cb -0.11 -0.47 -0.08 0.00 0.00 0.00 0.00 36.38 35.73 3mee s VAL 536 CO 0.09 -0.53 1.34 -2.16 0.00 0.00 0.00 175.10 173.84 3mee s PRO 537 N -1.75 4.35 0.44 2.72 0.04 -1.26 -4.16 135.00 135.39 3mee s PRO 537 Ca -0.12 2.01 -0.23 0.00 0.04 0.00 0.00 61.00 62.70 3mee s PRO 537 Cb -0.08 -3.26 -0.08 0.00 0.04 0.00 0.00 34.50 31.12 3mee s PRO 537 CO -0.02 -0.37 1.09 0.00 0.04 0.00 0.00 177.00 177.74 3mee s ALA 538 N 0.96 2.98 0.00 8.56 0.00 -1.26 -3.55 121.76 129.44 3mee s ALA 538 Ca 0.62 0.77 0.00 0.00 0.00 0.00 0.00 51.96 53.35 3mee s ALA 538 Cb -0.35 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.46 3mee s ALA 538 CO 0.31 -0.41 0.00 1.58 0.00 0.00 0.00 175.76 177.24 3mee n HIS 539 N -0.46 0.00 1.09 0.00 -0.00 -1.26 -4.71 115.22 109.88 3mee n HIS 539 Ca 0.07 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.37 3mee n HIS 539 Cb 0.50 -1.08 0.59 0.00 -0.12 0.00 0.00 29.99 29.87 3mee n HIS 539 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 3mee n LYS 540 N -1.93 0.31 -1.72 1.57 3.00 -1.23 -4.88 118.16 113.27 3mee n LYS 540 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 3mee n LYS 540 Cb 0.01 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.54 3mee n LYS 540 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3mee n GLY 541 N 0.74 0.97 3.82 3.14 0.00 -1.26 -5.04 105.19 107.56 3mee n GLY 541 Ca 0.11 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 3mee n GLY 541 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mee s ILE 542 N -2.68 4.48 0.18 -0.61 -1.09 -1.26 -4.81 121.20 115.41 3mee s ILE 542 Ca 0.00 1.35 -0.25 0.00 -2.23 0.00 0.00 60.65 59.52 3mee s ILE 542 Cb 0.00 -3.75 0.04 0.00 -1.58 0.00 0.00 42.46 37.17 3mee s ILE 542 CO 0.00 -0.06 1.49 0.61 -1.23 0.00 0.00 174.94 175.74 3mee n GLY 543 N -0.00 -2.32 0.08 6.18 0.00 -1.26 -0.10 105.19 107.77 3mee n GLY 543 Ca 0.03 1.12 -0.07 0.00 0.00 0.00 0.00 46.02 47.10 3mee n GLY 543 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3mee h GLY 544 N 0.00 0.00 0.89 -0.02 0.00 -2.01 -3.29 103.07 98.64 3mee h GLY 544 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 3mee h GLY 544 CO -0.92 0.00 0.07 -0.57 0.00 0.00 0.00 176.54 175.12 3mee h ASN 545 N 0.00 0.23 -0.93 0.19 -1.24 -1.77 -2.85 115.58 109.22 3mee h ASN 545 Ca -0.24 -0.15 0.12 0.00 0.71 0.00 0.00 56.30 56.74 3mee h ASN 545 Cb 1.91 -0.06 -0.08 0.00 0.73 0.00 0.00 38.32 40.82 3mee h ASN 545 CO 0.08 0.32 0.56 -0.33 -1.29 0.00 0.00 177.43 176.77 3mee h GLU 546 N 0.13 0.85 0.68 6.67 4.39 -0.63 -2.04 114.58 124.63 3mee h GLU 546 Ca 0.06 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3mee h GLU 546 Cb 0.16 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3mee h GLU 546 CO -0.01 0.56 -0.35 1.96 -1.16 0.00 0.00 179.01 180.01 3mee h GLN 547 N 0.88 -0.91 0.00 2.33 1.08 -1.57 -2.26 115.11 114.66 3mee h GLN 547 Ca 0.47 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.73 3mee h GLN 547 Cb 0.49 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 3mee h GLN 547 CO -0.28 -0.61 0.00 1.55 -0.95 0.00 0.00 178.83 178.55 3mee n VAL 548 N -4.64 0.16 0.10 -0.54 3.14 -1.19 -1.59 118.33 113.77 3mee n VAL 548 Ca -0.12 0.04 -0.01 0.00 -2.96 0.00 0.00 64.34 61.30 3mee n VAL 548 Cb 0.38 -0.64 -0.03 0.00 -1.06 0.00 0.00 33.84 32.49 3mee n VAL 548 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 3mee h ASP 549 N 0.00 0.00 1.21 6.55 3.58 -1.07 -2.96 116.42 123.72 3mee h ASP 549 Ca 0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 3mee h ASP 549 Cb 0.17 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 3mee h ASP 549 CO 0.00 0.66 -0.49 0.50 -2.88 0.00 0.00 179.24 177.03 3mee h LYS 550 N 0.00 0.00 0.14 0.28 3.11 -0.71 -3.32 116.57 116.07 3mee h LYS 550 Ca -0.04 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.55 3mee h LYS 550 Cb 1.53 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.77 3mee h LYS 550 CO 0.08 0.49 -1.21 -0.07 -2.81 0.00 0.00 179.45 175.93 3mee h LEU 551 N 0.00 0.46 -0.80 5.20 3.38 -1.58 -3.52 115.31 118.45 3mee h LEU 551 Ca -0.00 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.07 3mee h LEU 551 Cb 1.22 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3mee h LEU 551 CO 0.06 1.55 0.00 1.33 0.09 0.00 0.00 178.44 181.47