#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mec s ILE 2 N 0.00 1.32 0.32 4.25 1.01 -1.26 -4.28 121.20 122.56 3mec s ILE 2 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 60.65 59.78 3mec s ILE 2 Cb 0.00 -1.34 -0.12 0.00 0.01 0.00 0.00 42.46 41.01 3mec s ILE 2 CO 0.00 0.33 1.47 -0.24 0.00 0.00 0.00 174.94 176.49 3mec n SER 3 N 4.83 3.42 0.00 3.58 2.88 0.43 -4.84 113.62 123.92 3mec n SER 3 Ca -0.14 1.18 0.09 0.00 -1.33 0.00 0.00 58.87 58.67 3mec n SER 3 Cb 0.49 -1.55 0.53 0.00 -0.75 0.00 0.00 64.21 62.93 3mec n SER 3 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3mec n PRO 4 N 1.26 0.59 -2.01 -1.46 -0.04 -1.26 -4.47 135.00 127.61 3mec n PRO 4 Ca 0.06 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.15 3mec n PRO 4 Cb 0.36 -1.47 0.03 0.00 -0.04 0.00 0.00 33.50 32.38 3mec n PRO 4 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3mec s ILE 5 N -2.00 2.59 0.63 0.52 2.07 -1.26 -4.98 121.20 118.78 3mec s ILE 5 Ca 0.27 0.39 -0.18 0.00 -1.41 0.00 0.00 60.65 59.72 3mec s ILE 5 Cb 0.12 -3.17 -0.03 0.00 0.13 0.00 0.00 42.46 39.51 3mec s ILE 5 CO 0.21 -0.06 1.04 -0.62 -1.91 0.00 0.00 174.94 173.59 3mec n GLU 6 N -1.36 0.88 -2.17 3.50 1.02 -1.26 -4.84 120.64 116.40 3mec n GLU 6 Ca 0.12 0.35 -0.31 0.00 -0.02 0.00 0.00 57.16 57.30 3mec n GLU 6 Cb 0.49 -2.26 -0.01 0.00 -0.02 0.00 0.00 31.44 29.64 3mec n GLU 6 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3mec s THR 7 N -1.52 4.65 -0.17 2.62 -4.23 -1.26 -4.98 115.64 110.75 3mec s THR 7 Ca 0.78 0.97 -0.19 0.00 -1.18 0.00 0.00 61.69 62.07 3mec s THR 7 Cb -0.40 -3.80 -0.03 0.00 1.34 0.00 0.00 72.50 69.61 3mec s THR 7 CO 0.45 -0.92 0.52 -0.69 -0.54 0.00 0.00 174.62 173.44 3mec s VAL 8 N -2.89 5.13 0.20 2.29 1.01 -1.26 -4.97 120.40 119.90 3mec s VAL 8 Ca 0.56 0.98 -0.32 0.00 0.00 0.00 0.00 61.98 63.19 3mec s VAL 8 Cb -0.10 -3.84 -0.13 0.00 0.00 0.00 0.00 36.38 32.30 3mec s VAL 8 CO 0.43 0.22 1.67 -2.65 0.00 0.00 0.00 175.10 174.77 3mec n PRO 9 N 4.43 2.59 -4.32 2.72 -0.02 -1.26 -4.23 135.00 134.90 3mec n PRO 9 Ca -0.05 0.93 -0.19 0.00 -2.02 0.00 0.00 63.50 62.18 3mec n PRO 9 Cb 0.51 -2.75 -0.15 0.00 -0.02 0.00 0.00 33.50 31.09 3mec n PRO 9 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mec s VAL 10 N 1.01 0.66 0.22 -1.45 1.01 -1.26 -5.08 120.40 115.51 3mec s VAL 10 Ca 0.75 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.43 3mec s VAL 10 Cb -0.56 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 3mec s VAL 10 CO 0.35 0.20 -0.01 -0.54 0.00 0.00 0.00 175.10 175.10 3mec s LYS 11 N -0.03 1.29 0.44 2.72 -0.14 -1.26 -4.74 119.74 118.02 3mec s LYS 11 Ca 0.01 -1.65 -0.08 0.00 -1.36 0.00 0.00 55.97 52.90 3mec s LYS 11 Cb -0.05 -0.56 -0.05 0.00 -1.68 0.00 0.00 37.83 35.49 3mec s LYS 11 CO -0.00 -0.10 0.77 -0.51 -0.76 0.00 0.00 175.35 174.75 3mec s LEU 12 N -3.28 3.73 0.49 3.17 1.43 -1.26 -2.49 118.68 120.47 3mec s LEU 12 Ca 0.27 1.02 -0.21 0.00 -1.03 0.00 0.00 54.13 54.18 3mec s LEU 12 Cb 0.06 -3.93 -0.10 0.00 0.03 0.00 0.00 46.19 42.24 3mec s LEU 12 CO 0.08 -0.48 0.70 0.29 0.23 0.00 0.00 176.35 177.16 3mec n LYS 13 N -1.77 0.77 0.09 1.70 5.02 -0.47 -4.62 118.16 118.88 3mec n LYS 13 Ca 0.01 0.29 0.03 0.00 -2.02 0.00 0.00 58.31 56.62 3mec n LYS 13 Cb 0.54 -1.78 0.41 0.00 -0.02 0.00 0.00 35.03 34.18 3mec n LYS 13 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3mec h PRO 14 N 0.75 0.32 0.00 1.97 0.13 -1.96 -1.31 132.00 131.90 3mec h PRO 14 Ca -0.44 -0.05 -0.15 0.00 -0.87 0.00 0.00 66.00 64.48 3mec h PRO 14 Cb 1.38 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 3mec h PRO 14 CO 0.51 0.36 -0.72 0.78 -0.23 0.00 0.00 178.00 178.71 3mec h GLY 15 N 0.64 0.00 -2.10 1.56 0.00 -1.99 -3.48 103.07 97.70 3mec h GLY 15 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.97 3mec h GLY 15 CO 0.01 0.00 -0.13 1.06 0.00 0.00 0.00 176.54 177.47 3mec s MET 16 N -3.08 2.66 0.30 4.80 -1.94 -0.50 -5.12 119.30 116.42 3mec s MET 16 Ca 0.01 -0.99 0.06 0.00 -1.71 0.00 0.00 55.69 53.06 3mec s MET 16 Cb 0.10 -2.61 -0.06 0.00 2.01 0.00 0.00 34.83 34.27 3mec s MET 16 CO 0.77 -0.52 -0.02 0.34 -0.01 0.00 0.00 175.02 175.57 3mec s ASP 17 N -4.40 2.74 1.06 3.03 2.15 -1.26 -4.83 116.67 115.17 3mec s ASP 17 Ca 0.56 -1.25 -0.12 0.00 0.43 0.00 0.00 52.55 52.18 3mec s ASP 17 Cb -0.10 -0.16 0.22 0.00 -0.30 0.00 0.00 42.92 42.58 3mec s ASP 17 CO 0.36 -0.42 1.07 -0.83 -0.17 0.00 0.00 175.17 175.18 3mec s GLY 18 N -3.47 1.59 0.62 2.66 0.00 -1.26 -4.95 107.32 102.50 3mec s GLY 18 Ca 0.32 0.03 -0.18 0.00 0.00 0.00 0.00 44.72 44.88 3mec s GLY 18 CO 0.13 0.64 1.21 -4.14 0.00 0.00 0.00 173.10 170.94 3mec s PRO 19 N -4.61 2.84 -0.35 2.90 0.02 -1.26 -4.98 135.00 129.56 3mec s PRO 19 Ca 0.67 1.81 0.15 0.00 0.02 0.00 0.00 61.00 63.64 3mec s PRO 19 Cb -0.23 -1.91 0.42 0.00 0.02 0.00 0.00 34.50 32.79 3mec s PRO 19 CO 0.62 -1.30 0.98 1.63 -0.33 0.00 0.00 177.00 178.59 3mec n LYS 20 N -1.79 1.11 -3.00 5.54 5.02 -1.24 -2.80 118.16 120.99 3mec n LYS 20 Ca 0.14 -2.98 -0.36 0.00 -2.02 0.00 0.00 58.31 53.09 3mec n LYS 20 Cb 0.50 -1.14 -0.06 0.00 -0.02 0.00 0.00 35.03 34.30 3mec n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3mec s VAL 21 N -2.25 4.47 0.18 -0.18 1.01 -0.46 -4.87 120.40 118.29 3mec s VAL 21 Ca 0.29 1.41 -0.24 0.00 0.00 0.00 0.00 61.98 63.45 3mec s VAL 21 Cb 0.42 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.85 3mec s VAL 21 CO -0.01 0.12 0.75 -0.75 0.00 0.00 0.00 175.10 175.22 3mec s LYS 22 N -2.16 4.47 0.01 2.72 2.20 -1.26 -4.30 119.74 121.42 3mec s LYS 22 Ca 0.47 1.07 -0.30 0.00 -0.36 0.00 0.00 55.97 56.85 3mec s LYS 22 Cb -0.16 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 3mec s LYS 22 CO 0.21 0.53 1.18 -1.14 -0.36 0.00 0.00 175.35 175.76 3mec s GLN 23 N -1.36 4.41 0.32 4.03 2.00 -1.26 -4.76 119.66 123.04 3mec s GLN 23 Ca 0.37 1.69 -0.29 0.00 -2.00 0.00 0.00 55.36 55.14 3mec s GLN 23 Cb -0.21 -3.44 -0.10 0.00 0.80 0.00 0.00 33.01 30.06 3mec s GLN 23 CO 0.24 -0.31 1.22 -0.46 -0.50 0.00 0.00 175.29 175.49 3mec s TRP 24 N 1.51 3.22 0.34 1.67 -0.11 -1.26 -4.99 118.94 119.33 3mec s TRP 24 Ca 0.57 1.53 -0.29 0.00 1.22 0.00 0.00 56.10 59.13 3mec s TRP 24 Cb -0.27 -3.52 -0.11 0.00 -1.50 0.00 0.00 33.47 28.08 3mec s TRP 24 CO 0.26 -1.37 1.40 -1.25 -4.62 0.00 0.00 176.95 171.38 3mec s PRO 25 N -1.74 4.24 0.22 5.86 0.04 -1.26 -4.87 135.00 137.49 3mec s PRO 25 Ca 0.48 2.39 0.09 0.00 0.04 0.00 0.00 61.00 64.00 3mec s PRO 25 Cb -0.36 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 3mec s PRO 25 CO 0.47 -0.37 -0.06 -0.51 0.04 0.00 0.00 177.00 176.58 3mec s LEU 26 N -1.78 3.07 0.74 -3.56 1.43 -1.26 -5.11 118.68 112.21 3mec s LEU 26 Ca 0.52 -0.61 -0.16 0.00 -1.03 0.00 0.00 54.13 52.85 3mec s LEU 26 Cb -0.43 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 3mec s LEU 26 CO 0.57 0.06 0.49 0.41 0.23 0.00 0.00 176.35 178.10 3mec n THR 27 N -0.37 1.57 0.07 5.49 -1.04 -1.26 -4.64 114.28 114.11 3mec n THR 27 Ca -0.09 -0.38 -0.01 0.00 -2.04 0.00 0.00 64.05 61.53 3mec n THR 27 Cb 0.57 -0.70 0.27 0.00 -1.82 0.00 0.00 70.33 68.64 3mec n THR 27 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3mec h GLU 28 N -0.47 0.33 0.00 -2.82 4.81 -1.99 -1.84 114.58 112.59 3mec h GLU 28 Ca -0.45 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 58.62 3mec h GLU 28 Cb 1.35 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 3mec h GLU 28 CO 0.42 0.57 -0.31 1.05 -0.73 0.00 0.00 179.01 180.00 3mec h GLU 29 N 0.29 0.00 0.07 1.92 4.11 -1.99 -2.41 114.58 116.57 3mec h GLU 29 Ca 0.04 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.22 3mec h GLU 29 Cb 0.63 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.90 3mec h GLU 29 CO 0.05 0.18 -1.04 0.87 0.07 0.00 0.00 179.01 179.14 3mec h LYS 30 N 0.00 0.58 -1.00 1.06 1.57 -1.88 -2.37 116.57 114.53 3mec h LYS 30 Ca -0.01 -0.72 0.11 0.00 -1.87 0.00 0.00 60.65 58.16 3mec h LYS 30 Cb 1.16 0.23 -0.08 0.00 0.08 0.00 0.00 32.23 33.61 3mec h LYS 30 CO 0.02 1.31 0.63 0.82 -0.57 0.00 0.00 179.45 181.66 3mec h ILE 31 N 0.18 0.95 -0.08 1.86 2.04 -1.33 0.19 117.51 121.32 3mec h ILE 31 Ca -0.15 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 3mec h ILE 31 Cb 1.73 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3mec h ILE 31 CO 0.20 0.19 -0.09 0.50 0.00 0.00 0.00 178.15 178.95 3mec h LYS 32 N 1.02 0.20 -0.65 2.37 3.64 -1.42 -1.25 116.57 120.48 3mec h LYS 32 Ca 0.48 -0.11 0.07 0.00 -1.27 0.00 0.00 60.65 59.82 3mec h LYS 32 Cb 0.43 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 3mec h LYS 32 CO -0.25 0.64 0.34 0.00 -2.27 0.00 0.00 179.45 177.91 3mec h ALA 33 N 0.55 0.86 -0.56 5.00 0.00 -1.21 -1.84 119.26 122.06 3mec h ALA 33 Ca 0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3mec h ALA 33 Cb 0.61 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3mec h ALA 33 CO 0.02 -0.01 0.35 -0.07 0.00 0.00 0.00 179.25 179.54 3mec h LEU 34 N 0.62 0.66 -0.57 0.00 3.38 -0.75 -0.98 115.31 117.67 3mec h LEU 34 Ca 0.30 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.24 3mec h LEU 34 Cb 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3mec h LEU 34 CO -0.21 0.51 0.36 0.58 0.09 0.00 0.00 178.44 179.78 3mec h VAL 35 N 0.76 1.11 0.62 1.22 2.07 -0.93 0.59 116.25 121.68 3mec h VAL 35 Ca 0.20 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3mec h VAL 35 Cb -0.04 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3mec h VAL 35 CO -0.04 0.13 -0.31 -0.33 0.02 0.00 0.00 177.57 177.04 3mec h GLU 36 N 0.73 -0.82 -0.42 1.57 5.08 -0.94 -0.11 114.58 119.66 3mec h GLU 36 Ca 0.22 0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.71 3mec h GLU 36 Cb -0.03 0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 3mec h GLU 36 CO -0.07 -0.55 0.07 0.82 -1.00 0.00 0.00 179.01 178.28 3mec h ILE 37 N -0.85 0.76 -0.52 3.13 2.04 -1.08 -2.10 117.51 118.88 3mec h ILE 37 Ca -0.08 -0.07 -0.12 0.00 1.00 0.00 0.00 64.86 65.59 3mec h ILE 37 Cb 0.66 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3mec h ILE 37 CO 0.13 0.04 -0.13 0.00 0.00 0.00 0.00 178.15 178.18 3mec h THR 39 N 0.89 1.11 -0.22 0.00 2.02 -0.74 0.33 112.91 116.29 3mec h THR 39 Ca 0.13 -0.38 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 3mec h THR 39 Cb 0.70 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3mec h THR 39 CO 0.05 0.20 -0.18 -0.08 0.37 0.00 0.00 175.52 175.88 3mec h GLU 40 N 1.10 0.51 -0.97 6.66 4.57 -0.90 -2.58 114.58 122.96 3mec h GLU 40 Ca 0.38 -0.26 0.04 0.00 -1.18 0.00 0.00 59.36 58.34 3mec h GLU 40 Cb 0.08 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.62 3mec h GLU 40 CO -0.14 0.83 0.64 0.52 -1.18 0.00 0.00 179.01 179.67 3mec h MET 41 N 0.21 1.18 0.00 1.92 2.86 -0.79 -2.57 114.93 117.74 3mec h MET 41 Ca 0.04 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 3mec h MET 41 Cb 0.71 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3mec h MET 41 CO 0.05 0.78 -0.48 1.49 1.06 0.00 0.00 176.91 179.81 3mec h GLU 42 N 1.22 0.00 0.00 1.72 4.81 -0.23 -1.90 114.58 120.19 3mec h GLU 42 Ca 0.39 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.61 3mec h GLU 42 Cb 0.03 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3mec h GLU 42 CO -0.13 0.48 -0.06 0.87 -0.73 0.00 0.00 179.01 179.44 3mec h LYS 43 N 0.00 0.00 -0.02 1.92 1.57 -1.06 -2.94 116.57 116.04 3mec h LYS 43 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mec h LYS 43 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3mec h LYS 43 CO 0.06 0.06 -0.02 0.39 -0.57 0.00 0.00 179.45 179.36 3mec n GLU 44 N -3.14 2.00 -0.06 3.15 1.02 -0.95 -4.95 120.64 117.72 3mec n GLU 44 Ca 0.02 -1.50 0.00 0.00 -0.02 0.00 0.00 57.16 55.66 3mec n GLU 44 Cb 0.43 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 3mec n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mec n GLY 45 N 1.29 1.19 0.30 0.62 0.00 -1.02 -4.86 105.19 102.71 3mec n GLY 45 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 3mec n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mec h LYS 46 N 3.29 0.73 -5.30 1.61 1.79 -1.62 -3.42 116.57 113.67 3mec h LYS 46 Ca 0.00 -0.04 -0.39 0.00 -2.18 0.00 0.00 60.65 58.04 3mec h LYS 46 Cb 0.00 -0.16 -0.18 0.00 -1.58 0.00 0.00 32.23 30.30 3mec h LYS 46 CO 0.00 0.48 -0.75 0.96 -1.08 0.00 0.00 179.45 179.06 3mec s ILE 47 N -6.03 1.21 0.03 1.86 -4.36 -1.23 -0.85 121.20 111.83 3mec s ILE 47 Ca -0.12 -1.67 0.08 0.00 -0.26 0.00 0.00 60.65 58.68 3mec s ILE 47 Cb 0.19 -1.45 -0.02 0.00 1.25 0.00 0.00 42.46 42.43 3mec s ILE 47 CO 0.78 -0.44 -0.23 -0.44 0.24 0.00 0.00 174.94 174.85 3mec s SER 48 N -2.40 2.79 0.36 4.36 0.01 -0.58 -4.37 113.70 113.86 3mec s SER 48 Ca 0.07 -0.51 -0.20 0.00 1.31 0.00 0.00 55.95 56.62 3mec s SER 48 Cb -0.05 -0.26 -0.10 0.00 0.21 0.00 0.00 66.02 65.82 3mec s SER 48 CO 0.02 0.23 0.86 -1.59 0.41 0.00 0.00 173.24 173.18 3mec s LYS 49 N -1.01 4.22 0.18 12.44 -2.85 -1.26 -1.21 119.74 130.24 3mec s LYS 49 Ca 0.09 0.99 0.04 0.00 -1.00 0.00 0.00 55.97 56.09 3mec s LYS 49 Cb -0.09 -2.41 -0.05 0.00 -2.06 0.00 0.00 37.83 33.22 3mec s LYS 49 CO 0.01 0.11 -0.05 0.96 0.10 0.00 0.00 175.35 176.48 3mec s ILE 50 N -1.98 1.01 0.03 3.79 -4.36 0.79 -4.90 121.20 115.59 3mec s ILE 50 Ca 0.56 -2.03 0.05 0.00 -0.26 0.00 0.00 60.65 58.97 3mec s ILE 50 Cb -0.11 -2.04 -0.02 0.00 1.25 0.00 0.00 42.46 41.53 3mec s ILE 50 CO 0.17 -0.57 -0.15 -0.83 0.24 0.00 0.00 174.94 173.80 3mec s GLY 51 N -3.21 0.79 0.34 6.27 0.00 -1.26 -4.31 107.32 105.95 3mec s GLY 51 Ca 0.21 -0.80 -0.28 0.00 0.00 0.00 0.00 44.72 43.85 3mec s GLY 51 CO 0.03 -0.76 1.32 -1.55 0.00 0.00 0.00 173.10 172.14 3mec n PRO 52 N 2.06 2.17 0.00 2.90 -0.04 -1.26 -3.16 135.00 137.67 3mec n PRO 52 Ca -0.17 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 3mec n PRO 52 Cb 0.55 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 3mec n PRO 52 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3mec n GLU 53 N 0.66 0.00 -0.46 0.54 4.71 -1.26 -5.10 120.64 119.74 3mec n GLU 53 Ca 0.05 0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 56.98 3mec n GLU 53 Cb 0.36 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.74 3mec n GLU 53 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 3mec n ASN 54 N -0.27 0.27 -0.08 1.62 4.05 -1.19 -4.81 115.26 114.85 3mec n ASN 54 Ca 0.00 0.25 0.15 0.00 0.45 0.00 0.00 54.58 55.42 3mec n ASN 54 Cb 0.00 -0.33 0.70 0.00 1.23 0.00 0.00 39.78 41.38 3mec n ASN 54 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3mec n PRO 55 N 2.77 0.72 -3.44 1.20 -0.04 -1.26 -4.93 135.00 130.01 3mec n PRO 55 Ca 0.20 -0.17 -0.23 0.00 -0.04 0.00 0.00 63.50 63.26 3mec n PRO 55 Cb -0.01 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.94 3mec n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3mec s TYR 56 N -2.39 3.49 -0.18 0.54 2.02 -1.26 -4.86 117.35 114.71 3mec s TYR 56 Ca 0.33 0.31 -0.29 0.00 -0.37 0.00 0.00 57.07 57.04 3mec s TYR 56 Cb 0.20 -1.86 0.12 0.00 -0.40 0.00 0.00 41.96 40.02 3mec s TYR 56 CO 0.45 0.15 0.96 1.21 -1.57 0.00 0.00 175.55 176.75 3mec s ASN 57 N -4.03 -0.43 0.00 2.29 3.84 -1.12 -4.75 114.94 110.73 3mec s ASN 57 Ca 0.39 0.56 0.01 0.00 0.21 0.00 0.00 52.86 54.04 3mec s ASN 57 Cb -0.10 0.48 -0.01 0.00 -0.55 0.00 0.00 41.25 41.08 3mec s ASN 57 CO 0.35 -0.33 -0.05 -0.89 -2.79 0.00 0.00 177.10 173.39 3mec s THR 58 N -0.80 0.38 0.19 -5.21 2.01 -0.28 -1.36 115.64 110.58 3mec s THR 58 Ca -0.02 -0.34 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 3mec s THR 58 Cb -0.01 -0.35 -0.08 0.00 0.01 0.00 0.00 72.50 72.07 3mec s THR 58 CO 0.01 0.02 1.20 -2.16 -0.69 0.00 0.00 174.62 173.00 3mec s PRO 59 N -0.35 4.49 0.04 4.92 0.04 -1.26 -4.12 135.00 138.76 3mec s PRO 59 Ca -0.00 1.89 0.03 0.00 0.04 0.00 0.00 61.00 62.96 3mec s PRO 59 Cb -0.03 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 3mec s PRO 59 CO -0.00 -0.09 0.00 0.14 0.04 0.00 0.00 177.00 177.09 3mec s VAL 60 N -0.13 4.09 0.29 -0.36 -7.23 -1.26 -1.92 120.40 113.89 3mec s VAL 60 Ca 0.53 -0.76 0.03 0.00 -1.81 0.00 0.00 61.98 59.96 3mec s VAL 60 Cb -0.33 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 33.69 3mec s VAL 60 CO 0.37 0.27 0.16 0.12 -0.31 0.00 0.00 175.10 175.71 3mec s PHE 61 N -1.18 1.57 -0.10 2.82 2.19 0.15 -4.89 117.98 118.53 3mec s PHE 61 Ca 0.22 -1.37 -0.08 0.00 0.33 0.00 0.00 56.93 56.03 3mec s PHE 61 Cb -0.12 -0.83 0.03 0.00 -1.31 0.00 0.00 43.02 40.80 3mec s PHE 61 CO 0.14 -0.53 0.26 0.00 1.83 0.00 0.00 175.22 176.91 3mec s ALA 62 N -3.65 -0.63 0.12 11.12 0.00 -1.26 -1.23 121.76 126.22 3mec s ALA 62 Ca 0.36 0.88 0.10 0.00 0.00 0.00 0.00 51.96 53.30 3mec s ALA 62 Cb 0.05 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 3mec s ALA 62 CO 0.17 -0.16 -0.25 0.42 0.00 0.00 0.00 175.76 175.94 3mec s ILE 63 N 0.63 2.10 -0.32 0.00 1.01 -0.87 -4.97 121.20 118.79 3mec s ILE 63 Ca -0.04 -1.69 -0.22 0.00 0.00 0.00 0.00 60.65 58.69 3mec s ILE 63 Cb -0.05 -1.87 -0.00 0.00 0.01 0.00 0.00 42.46 40.55 3mec s ILE 63 CO -0.04 0.05 0.74 -0.75 0.00 0.00 0.00 174.94 174.94 3mec s LYS 64 N -2.01 3.90 -0.38 2.79 2.20 -1.26 -0.47 119.74 124.52 3mec s LYS 64 Ca 0.12 0.45 -0.27 0.00 -0.36 0.00 0.00 55.97 55.90 3mec s LYS 64 Cb -0.10 -3.74 -0.05 0.00 -1.51 0.00 0.00 37.83 32.42 3mec s LYS 64 CO 0.05 -0.68 2.25 0.21 -0.36 0.00 0.00 175.35 176.82 3mec s LYS 65 N 2.87 2.64 3.30 4.03 2.20 0.41 -4.73 119.74 130.47 3mec s LYS 65 Ca 0.30 1.60 0.00 0.00 -0.36 0.00 0.00 55.97 57.51 3mec s LYS 65 Cb -0.14 -4.46 0.00 0.00 -1.51 0.00 0.00 37.83 31.72 3mec s LYS 65 CO 0.13 -2.67 0.00 1.63 -0.36 0.00 0.00 175.35 174.09 3mec n LYS 66 N 8.88 0.00 0.08 4.03 5.02 -1.26 -2.81 118.16 132.10 3mec n LYS 66 Ca 0.32 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.47 3mec n LYS 66 Cb 0.50 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.37 3mec n LYS 66 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 3mec h ASP 67 N 6.94 0.31 -2.16 4.39 -0.00 -1.98 -3.46 116.42 120.47 3mec h ASP 67 Ca 0.00 -0.36 -0.56 0.00 -0.00 0.00 0.00 57.03 56.11 3mec h ASP 67 Cb 0.00 -0.10 0.01 0.00 -0.00 0.00 0.00 39.33 39.24 3mec h ASP 67 CO 0.00 1.28 1.38 -0.44 -0.00 0.00 0.00 179.24 181.46 3mec s SER 68 N -6.98 5.88 -0.51 4.15 0.01 -1.12 -4.79 113.70 110.34 3mec s SER 68 Ca -0.04 2.22 -0.16 0.00 1.31 0.00 0.00 55.95 59.28 3mec s SER 68 Cb 0.08 -2.52 -0.15 0.00 0.21 0.00 0.00 66.02 63.63 3mec s SER 68 CO 0.86 -1.57 1.74 0.35 0.41 0.00 0.00 173.24 175.03 3mec n THR 69 N 6.80 1.28 -4.47 1.44 -2.24 -1.26 -4.32 114.28 111.51 3mec n THR 69 Ca 0.25 -0.95 -0.30 0.00 -2.27 0.00 0.00 64.05 60.79 3mec n THR 69 Cb 0.43 -2.07 -0.12 0.00 -2.10 0.00 0.00 70.33 66.47 3mec n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3mec s LYS 70 N 5.03 1.87 -0.08 -0.78 1.02 -1.26 -5.01 119.74 120.53 3mec s LYS 70 Ca 0.46 -1.11 -0.05 0.00 0.02 0.00 0.00 55.97 55.28 3mec s LYS 70 Cb 0.11 -2.12 -0.04 0.00 -0.52 0.00 0.00 37.83 35.26 3mec s LYS 70 CO 0.11 0.50 0.15 -1.58 -0.92 0.00 0.00 175.35 173.61 3mec s TRP 71 N -1.04 3.56 0.07 3.18 0.52 -1.26 0.15 118.94 124.13 3mec s TRP 71 Ca 0.16 0.46 0.05 0.00 0.02 0.00 0.00 56.10 56.78 3mec s TRP 71 Cb -0.10 -1.89 -0.04 0.00 -1.15 0.00 0.00 33.47 30.28 3mec s TRP 71 CO 0.08 0.70 -0.03 1.03 0.02 0.00 0.00 176.95 178.74 3mec s ARG 72 N -1.33 2.48 -0.35 4.98 0.52 0.39 -4.85 118.95 120.78 3mec s ARG 72 Ca 0.19 -0.84 -0.18 0.00 -0.52 0.00 0.00 55.73 54.38 3mec s ARG 72 Cb -0.12 -2.50 -0.00 0.00 0.52 0.00 0.00 34.95 32.85 3mec s ARG 72 CO 0.09 0.55 0.51 0.21 0.02 0.00 0.00 175.30 176.68 3mec s LYS 73 N -2.11 3.60 -0.22 3.54 2.20 -1.26 -2.04 119.74 123.45 3mec s LYS 73 Ca 0.23 -0.18 -0.10 0.00 -0.36 0.00 0.00 55.97 55.57 3mec s LYS 73 Cb -0.11 -3.81 -0.05 0.00 -1.51 0.00 0.00 37.83 32.34 3mec s LYS 73 CO 0.15 -0.65 0.13 -0.51 -0.36 0.00 0.00 175.35 174.11 3mec s LEU 74 N 2.39 4.05 0.00 5.43 1.43 -0.37 -5.01 118.68 126.61 3mec s LEU 74 Ca 0.19 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 3mec s LEU 74 Cb -0.15 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 3mec s LEU 74 CO 0.13 0.10 0.02 -0.69 0.23 0.00 0.00 176.35 176.15 3mec s VAL 75 N 0.81 4.32 -0.47 -1.59 1.01 -1.26 0.34 120.40 123.56 3mec s VAL 75 Ca 0.07 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 3mec s VAL 75 Cb -0.13 -2.95 0.12 0.00 0.00 0.00 0.00 36.38 33.42 3mec s VAL 75 CO 0.02 0.36 0.34 -0.62 0.00 0.00 0.00 175.10 175.20 3mec s ASP 76 N -1.64 5.68 0.00 3.32 2.15 -0.81 -4.94 116.67 120.43 3mec s ASP 76 Ca 0.21 -1.90 0.26 0.00 0.43 0.00 0.00 52.55 51.54 3mec s ASP 76 Cb -0.12 -2.00 0.76 0.00 -0.30 0.00 0.00 42.92 41.26 3mec s ASP 76 CO 0.12 -0.68 1.58 0.49 -0.17 0.00 0.00 175.17 176.50 3mec n PHE 77 N 4.90 0.05 -0.08 -5.34 3.72 -1.26 -4.42 117.46 115.02 3mec n PHE 77 Ca -0.08 -0.03 -0.01 0.00 -0.05 0.00 0.00 57.45 57.28 3mec n PHE 77 Cb 0.41 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.94 3mec n PHE 77 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3mec n ARG 78 N 0.56 -0.07 0.02 -1.08 1.74 -1.26 0.95 116.66 117.52 3mec n ARG 78 Ca 0.17 0.32 -0.15 0.00 -0.77 0.00 0.00 57.85 57.43 3mec n ARG 78 Cb 0.43 -0.47 -0.04 0.00 -1.02 0.00 0.00 32.46 31.36 3mec n ARG 78 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3mec h GLU 79 N 0.00 0.60 -0.52 5.56 4.39 -2.00 -0.36 114.58 122.25 3mec h GLU 79 Ca 0.05 -0.53 -0.10 0.00 0.34 0.00 0.00 59.36 59.12 3mec h GLU 79 Cb 0.10 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 3mec h GLU 79 CO -0.20 1.15 -0.07 1.25 -1.16 0.00 0.00 179.01 179.97 3mec h LEU 80 N 0.39 0.93 -0.25 1.33 5.85 -0.84 -2.88 115.31 119.85 3mec h LEU 80 Ca -0.06 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 3mec h LEU 80 Cb 1.43 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3mec h LEU 80 CO 0.15 1.03 0.06 0.78 -0.34 0.00 0.00 178.44 180.13 3mec h ASN 81 N 0.85 0.37 -0.01 1.25 4.21 0.77 -0.77 115.58 122.26 3mec h ASN 81 Ca 0.14 -0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.43 3mec h ASN 81 Cb 0.61 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.71 3mec h ASN 81 CO 0.04 0.50 0.03 0.11 -1.29 0.00 0.00 177.43 176.82 3mec h LYS 82 N 0.23 0.00 -0.01 0.81 1.57 -1.06 -2.12 116.57 115.99 3mec h LYS 82 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3mec h LYS 82 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3mec h LYS 82 CO 0.00 0.00 -0.43 0.54 -0.57 0.00 0.00 179.45 178.99 3mec n ARG 83 N -3.22 1.40 -3.51 3.15 1.74 -0.61 -4.95 116.66 110.66 3mec n ARG 83 Ca -0.03 -0.89 -0.37 0.00 -0.77 0.00 0.00 57.85 55.79 3mec n ARG 83 Cb 0.10 -1.39 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 3mec n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3mec s THR 84 N -2.25 5.03 0.79 0.55 2.01 -0.40 -1.37 115.64 120.01 3mec s THR 84 Ca 0.16 0.70 -0.15 0.00 0.31 0.00 0.00 61.69 62.71 3mec s THR 84 Cb 0.16 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 3mec s THR 84 CO 0.51 0.44 0.36 0.00 -0.69 0.00 0.00 174.62 175.23 3mec n GLN 85 N 1.37 0.11 -2.48 4.92 10.64 -1.04 -4.55 117.38 126.36 3mec n GLN 85 Ca -0.11 0.08 -0.34 0.00 -1.83 0.00 0.00 57.00 54.80 3mec n GLN 85 Cb 0.52 -1.73 -0.03 0.00 -0.86 0.00 0.00 30.24 28.15 3mec n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3mec s ASP 86 N -1.55 6.23 0.29 2.61 1.01 -1.26 -4.94 116.67 119.07 3mec s ASP 86 Ca 0.61 1.96 0.11 0.00 0.71 0.00 0.00 52.55 55.93 3mec s ASP 86 Cb -0.31 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.01 3mec s ASP 86 CO 0.63 -0.86 -0.10 -0.36 0.21 0.00 0.00 175.17 174.69 3mec s PHE 87 N -1.97 2.45 0.59 4.23 0.08 -1.26 -5.11 117.98 116.98 3mec s PHE 87 Ca 0.68 -0.34 -0.20 0.00 0.12 0.00 0.00 56.93 57.19 3mec s PHE 87 Cb -0.17 -1.16 -0.03 0.00 -0.57 0.00 0.00 43.02 41.08 3mec s PHE 87 CO 0.22 0.64 1.31 -0.46 -0.10 0.00 0.00 175.22 176.83 3mec s TRP 88 N -2.47 2.23 0.16 0.36 -0.00 -1.26 -4.91 118.94 113.05 3mec s TRP 88 Ca 0.31 1.43 -0.32 0.00 -0.00 0.00 0.00 56.10 57.53 3mec s TRP 88 Cb -0.04 -3.72 -0.10 0.00 -0.00 0.00 0.00 33.47 29.61 3mec s TRP 88 CO 0.17 -2.80 1.60 -1.21 -0.00 0.00 0.00 176.95 174.71 3mec s GLU 89 N -3.13 4.20 0.00 5.86 0.41 -1.26 -4.89 118.70 119.89 3mec s GLU 89 Ca 0.76 2.40 0.00 0.00 -0.41 0.00 0.00 54.97 57.72 3mec s GLU 89 Cb -0.38 -3.19 0.00 0.00 -1.78 0.00 0.00 34.13 28.78 3mec s GLU 89 CO 0.43 -0.64 0.78 1.33 -0.49 0.00 0.00 175.26 176.66 3mec n VAL 90 N 4.05 0.00 -3.19 2.63 0.24 -1.26 -4.51 118.33 116.28 3mec n VAL 90 Ca 0.14 1.28 0.01 0.00 -2.04 0.00 0.00 64.34 63.73 3mec n VAL 90 Cb 0.38 -1.81 -0.01 0.00 -1.47 0.00 0.00 33.84 30.93 3mec n VAL 90 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3mec s GLN 91 N -2.10 0.67 -0.36 7.34 2.00 -1.26 -5.01 119.66 120.93 3mec s GLN 91 Ca 0.00 0.11 -0.29 0.00 -2.00 0.00 0.00 55.36 53.18 3mec s GLN 91 Cb 0.00 0.11 0.01 0.00 0.80 0.00 0.00 33.01 33.93 3mec s GLN 91 CO 0.00 -1.12 1.20 -0.48 -0.50 0.00 0.00 175.29 174.39 3mec s LEU 92 N 2.33 3.81 0.00 3.68 2.34 -1.26 -4.73 118.68 124.84 3mec s LEU 92 Ca 0.13 0.94 0.00 0.00 0.06 0.00 0.00 54.13 55.26 3mec s LEU 92 Cb -0.08 -3.54 0.00 0.00 -0.56 0.00 0.00 46.19 42.01 3mec s LEU 92 CO -0.17 -1.09 0.00 0.61 -1.06 0.00 0.00 176.35 174.64 3mec n GLY 93 N 4.36 3.69 3.37 -3.48 0.00 -1.26 -5.14 105.19 106.73 3mec n GLY 93 Ca 0.13 -1.30 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 3mec n GLY 93 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mec s ILE 94 N 0.00 2.12 0.51 -0.61 -5.25 -1.26 -5.11 121.20 111.60 3mec s ILE 94 Ca 0.00 -1.80 -0.22 0.00 -0.99 0.00 0.00 60.65 57.64 3mec s ILE 94 Cb 0.00 -1.92 -0.06 0.00 2.95 0.00 0.00 42.46 43.43 3mec s ILE 94 CO 0.00 -0.04 1.24 -2.84 -1.79 0.00 0.00 174.94 171.51 3mec s PRO 95 N -2.27 3.41 0.02 0.37 0.02 -1.26 -5.00 135.00 130.29 3mec s PRO 95 Ca 0.14 1.95 -0.14 0.00 0.02 0.00 0.00 61.00 62.97 3mec s PRO 95 Cb -0.09 -2.28 -0.06 0.00 0.02 0.00 0.00 34.50 32.10 3mec s PRO 95 CO 0.07 -0.88 0.41 -1.58 -0.33 0.00 0.00 177.00 174.69 3mec s HIS 96 N -1.47 3.71 0.34 6.54 2.46 -1.26 -5.00 115.29 120.61 3mec s HIS 96 Ca 0.69 0.97 0.09 0.00 0.47 0.00 0.00 55.06 57.28 3mec s HIS 96 Cb -0.33 -2.28 0.81 0.00 -0.13 0.00 0.00 32.58 30.65 3mec s HIS 96 CO 0.39 0.62 1.82 -1.35 -2.47 0.00 0.00 174.74 173.76 3mec h PRO 97 N 4.53 0.68 0.00 2.88 0.11 -1.96 -0.72 132.00 137.51 3mec h PRO 97 Ca -0.51 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3mec h PRO 97 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3mec h PRO 97 CO 0.62 0.45 0.00 0.00 -0.21 0.00 0.00 178.00 178.86 3mec h ALA 98 N 1.61 1.00 0.00 -0.75 0.00 -1.85 -0.81 119.26 118.47 3mec h ALA 98 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3mec h ALA 98 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3mec h ALA 98 CO -0.28 0.00 -1.15 0.41 0.00 0.00 0.00 179.25 178.24 3mec n GLY 99 N -0.94 -1.09 3.81 0.00 0.00 -0.28 -3.88 105.19 102.80 3mec n GLY 99 Ca -0.01 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 3mec n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mec s LEU 100 N -3.59 3.28 0.26 0.99 1.43 -0.31 -4.70 118.68 116.04 3mec s LEU 100 Ca 0.04 1.72 0.05 0.00 -1.03 0.00 0.00 54.13 54.91 3mec s LEU 100 Cb 0.15 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.83 3mec s LEU 100 CO 0.84 -1.37 0.39 -0.54 0.23 0.00 0.00 176.35 175.90 3mec s LYS 101 N -4.61 3.41 0.50 1.70 1.02 -1.26 -1.19 119.74 119.31 3mec s LYS 101 Ca 0.61 -0.74 -0.21 0.00 0.02 0.00 0.00 55.97 55.65 3mec s LYS 101 Cb -0.15 -2.86 -0.07 0.00 -0.52 0.00 0.00 37.83 34.24 3mec s LYS 101 CO 0.47 0.36 1.15 -1.59 -0.92 0.00 0.00 175.35 174.82 3mec s LYS 102 N -4.04 3.55 0.01 1.68 -2.85 -1.26 -4.91 119.74 111.93 3mec s LYS 102 Ca 0.36 1.70 0.02 0.00 -1.00 0.00 0.00 55.97 57.04 3mec s LYS 102 Cb -0.09 -2.21 -0.01 0.00 -2.06 0.00 0.00 37.83 33.46 3mec s LYS 102 CO 0.30 -0.70 -0.06 0.15 0.10 0.00 0.00 175.35 175.13 3mec s LYS 103 N -2.99 0.47 0.06 1.78 -0.14 -0.74 -4.90 119.74 113.28 3mec s LYS 103 Ca 0.68 -0.42 -0.15 0.00 -1.36 0.00 0.00 55.97 54.72 3mec s LYS 103 Cb -0.26 -0.36 -0.27 0.00 -1.68 0.00 0.00 37.83 35.25 3mec s LYS 103 CO 0.31 0.09 1.13 -0.22 -0.76 0.00 0.00 175.35 175.90 3mec h LYS 104 N 5.39 0.65 -4.26 1.68 1.63 -1.69 -3.41 116.57 116.56 3mec h LYS 104 Ca -0.31 -0.79 -0.44 0.00 -0.85 0.00 0.00 60.65 58.26 3mec h LYS 104 Cb 1.20 0.25 -0.33 0.00 -0.60 0.00 0.00 32.23 32.74 3mec h LYS 104 CO 0.46 1.35 -0.79 -1.12 -3.45 0.00 0.00 179.45 175.91 3mec s SER 105 N -7.35 1.20 0.00 4.20 0.01 -0.90 -4.95 113.70 105.91 3mec s SER 105 Ca -0.10 -0.18 0.04 0.00 1.31 0.00 0.00 55.95 57.01 3mec s SER 105 Cb 0.06 -0.53 -0.01 0.00 0.21 0.00 0.00 66.02 65.75 3mec s SER 105 CO 0.92 -0.01 -0.11 -0.69 0.41 0.00 0.00 173.24 173.76 3mec s VAL 106 N 0.70 0.88 0.01 3.43 1.01 -1.26 -1.42 120.40 123.75 3mec s VAL 106 Ca -0.11 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 3mec s VAL 106 Cb -0.14 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 3mec s VAL 106 CO 0.01 0.17 0.01 0.28 0.00 0.00 0.00 175.10 175.57 3mec s THR 107 N -0.42 0.09 -0.32 3.92 -1.32 -0.09 -4.96 115.64 112.53 3mec s THR 107 Ca 0.03 -0.71 -0.05 0.00 -1.21 0.00 0.00 61.69 59.75 3mec s THR 107 Cb -0.05 -0.26 0.04 0.00 -1.51 0.00 0.00 72.50 70.72 3mec s THR 107 CO -0.00 -0.39 0.07 -0.69 -2.21 0.00 0.00 174.62 171.40 3mec s VAL 108 N -1.18 3.59 -0.16 5.08 1.01 -1.26 -0.98 120.40 126.49 3mec s VAL 108 Ca -0.13 -1.11 -0.10 0.00 0.00 0.00 0.00 61.98 60.64 3mec s VAL 108 Cb -0.08 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 3mec s VAL 108 CO -0.00 -0.10 0.18 -0.76 0.00 0.00 0.00 175.10 174.41 3mec s LEU 109 N 1.38 4.27 -0.07 3.92 1.43 -0.02 -4.96 118.68 124.63 3mec s LEU 109 Ca -0.02 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 3mec s LEU 109 Cb -0.19 -2.17 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 3mec s LEU 109 CO 0.02 0.22 -0.13 1.51 0.23 0.00 0.00 176.35 178.20 3mec s ASP 110 N -0.00 4.13 -0.15 2.29 1.47 -1.26 0.30 116.67 123.44 3mec s ASP 110 Ca 0.12 -0.19 -0.25 0.00 1.18 0.00 0.00 52.55 53.41 3mec s ASP 110 Cb -0.12 -1.04 -0.02 0.00 -0.34 0.00 0.00 42.92 41.40 3mec s ASP 110 CO 0.01 0.31 0.79 -0.69 0.68 0.00 0.00 175.17 176.28 3mec s VAL 111 N -0.54 4.92 0.26 2.11 1.01 -0.06 -4.00 120.40 124.11 3mec s VAL 111 Ca 0.07 1.56 -0.29 0.00 0.00 0.00 0.00 61.98 63.32 3mec s VAL 111 Cb -0.12 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 3mec s VAL 111 CO 0.02 0.07 1.19 -0.83 0.00 0.00 0.00 175.10 175.55 3mec s GLY 112 N 1.11 2.90 -1.28 4.51 0.00 -0.81 -3.82 107.32 109.93 3mec s GLY 112 Ca 0.37 1.01 -0.22 0.00 0.00 0.00 0.00 44.72 45.88 3mec s GLY 112 CO 0.13 1.73 0.42 1.22 0.00 0.00 0.00 173.10 176.60 3mec n ASP 113 N 1.57 -2.18 0.15 1.64 8.00 -1.26 -4.66 116.55 119.81 3mec n ASP 113 Ca 0.01 -1.25 -0.14 0.00 0.71 0.00 0.00 54.79 54.12 3mec n ASP 113 Cb 0.44 -1.51 -0.07 0.00 -0.02 0.00 0.00 41.12 39.96 3mec n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mec h ALA 114 N 1.44 -0.67 -0.57 2.24 0.00 -1.97 -1.85 119.26 117.89 3mec h ALA 114 Ca -0.67 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 3mec h ALA 114 Cb 1.34 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 3mec h ALA 114 CO 0.56 -0.93 0.32 1.88 0.00 0.00 0.00 179.25 181.09 3mec h TYR 115 N -0.64 0.77 0.00 0.00 0.05 -1.87 -2.04 116.97 113.24 3mec h TYR 115 Ca 0.01 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3mec h TYR 115 Cb 0.63 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.12 3mec h TYR 115 CO -0.28 0.55 0.00 1.19 -1.05 0.00 0.00 178.16 178.57 3mec n PHE 116 N -4.62 0.00 0.85 4.88 0.99 -1.01 -1.92 117.46 116.63 3mec n PHE 116 Ca 0.03 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.60 3mec n PHE 116 Cb 0.07 -0.29 0.28 0.00 -1.00 0.00 0.00 39.48 38.54 3mec n PHE 116 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3mec n SER 117 N -1.29 2.59 -4.17 4.37 7.64 -0.73 -4.73 113.62 117.30 3mec n SER 117 Ca 0.08 -1.85 -0.30 0.00 1.01 0.00 0.00 58.87 57.80 3mec n SER 117 Cb 0.14 -0.14 -0.17 0.00 -1.01 0.00 0.00 64.21 63.03 3mec n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3mec s VAL 118 N -1.73 1.84 0.59 0.44 1.01 -0.81 -0.43 120.40 121.31 3mec s VAL 118 Ca 0.35 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 3mec s VAL 118 Cb 0.20 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3mec s VAL 118 CO 0.30 0.51 1.10 -2.16 0.00 0.00 0.00 175.10 174.85 3mec s PRO 119 N 0.43 3.20 -0.03 2.72 0.04 -1.26 -1.76 135.00 138.34 3mec s PRO 119 Ca -0.18 1.43 -0.01 0.00 0.04 0.00 0.00 61.00 62.29 3mec s PRO 119 Cb -0.17 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 3mec s PRO 119 CO 0.07 -0.94 0.05 -1.17 0.04 0.00 0.00 177.00 175.06 3mec s LEU 120 N -4.28 3.78 -0.41 -3.56 1.98 0.89 -4.60 118.68 112.48 3mec s LEU 120 Ca 0.68 0.13 -0.42 0.00 -2.89 0.00 0.00 54.13 51.63 3mec s LEU 120 Cb -0.20 -2.11 -0.17 0.00 0.66 0.00 0.00 46.19 44.36 3mec s LEU 120 CO 0.33 0.30 1.86 -0.67 -1.89 0.00 0.00 176.35 176.28 3mec n ASP 121 N 1.46 1.64 -0.29 3.68 2.03 -1.26 -4.79 116.55 119.02 3mec n ASP 121 Ca -0.15 0.92 0.11 0.00 0.52 0.00 0.00 54.79 56.20 3mec n ASP 121 Cb 0.53 -1.03 0.28 0.00 -0.72 0.00 0.00 41.12 40.18 3mec n ASP 121 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3mec h GLU 122 N 7.74 0.33 0.00 -0.67 4.81 -1.95 0.16 114.58 125.00 3mec h GLU 122 Ca -0.35 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3mec h GLU 122 Cb 1.36 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3mec h GLU 122 CO 1.01 0.22 0.00 -0.25 -0.73 0.00 0.00 179.01 179.25 3mec n ASP 123 N -5.10 0.64 -0.00 1.04 8.00 -1.26 -2.52 116.55 117.35 3mec n ASP 123 Ca 0.20 0.67 0.09 0.00 0.71 0.00 0.00 54.79 56.46 3mec n ASP 123 Cb 0.62 -0.80 -0.11 0.00 -0.02 0.00 0.00 41.12 40.80 3mec n ASP 123 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3mec n PHE 124 N -2.23 0.00 -0.06 1.24 7.35 0.55 -4.59 117.46 119.72 3mec n PHE 124 Ca 0.02 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.72 3mec n PHE 124 Cb 0.21 -0.06 0.33 0.00 0.35 0.00 0.00 39.48 40.31 3mec n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3mec h ARG 125 N 0.00 0.66 -0.45 -4.13 3.08 -1.27 -2.10 114.38 110.16 3mec h ARG 125 Ca 0.00 -0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.08 3mec h ARG 125 Cb 0.50 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3mec h ARG 125 CO 0.00 0.50 0.31 1.57 -1.07 0.00 0.00 179.97 181.28 3mec h LYS 126 N 0.66 0.18 0.00 0.04 -0.00 -1.81 0.67 116.57 116.31 3mec h LYS 126 Ca 0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.81 3mec h LYS 126 Cb 0.05 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 32.24 3mec h LYS 126 CO -0.03 0.12 0.00 0.66 -0.00 0.00 0.00 179.45 180.20 3mec n TYR 127 N -4.45 0.00 0.40 0.07 4.01 -0.79 -2.05 117.16 114.35 3mec n TYR 127 Ca 0.07 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.93 3mec n TYR 127 Cb 0.39 -0.18 0.19 0.00 -0.31 0.00 0.00 39.34 39.44 3mec n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3mec n THR 128 N -1.18 0.43 -1.61 -0.72 -2.24 0.23 -4.66 114.28 104.53 3mec n THR 128 Ca 0.13 -0.71 -0.50 0.00 -2.27 0.00 0.00 64.05 60.70 3mec n THR 128 Cb 0.14 1.07 -0.05 0.00 -2.10 0.00 0.00 70.33 69.38 3mec n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mec n ALA 129 N 1.46 -0.40 -2.33 6.98 0.00 -0.87 -4.35 120.51 121.00 3mec n ALA 129 Ca 0.18 0.49 -0.18 0.00 0.00 0.00 0.00 53.44 53.93 3mec n ALA 129 Cb 0.60 -2.13 -0.09 0.00 0.00 0.00 0.00 19.45 17.83 3mec n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3mec s PHE 130 N 0.38 1.59 -0.04 0.00 -0.71 0.78 -1.12 117.98 118.86 3mec s PHE 130 Ca 0.80 -1.35 -0.01 0.00 -1.04 0.00 0.00 56.93 55.33 3mec s PHE 130 Cb -0.87 -0.86 0.03 0.00 -1.21 0.00 0.00 43.02 40.11 3mec s PHE 130 CO 0.47 -0.50 0.05 0.99 -1.34 0.00 0.00 175.22 174.89 3mec s THR 131 N -3.62 -0.09 -0.23 -4.49 2.01 -1.26 -1.40 115.64 106.55 3mec s THR 131 Ca 0.36 0.37 -0.25 0.00 0.31 0.00 0.00 61.69 62.47 3mec s THR 131 Cb 0.05 -0.14 -0.00 0.00 0.01 0.00 0.00 72.50 72.42 3mec s THR 131 CO 0.17 0.16 0.87 -0.63 -0.69 0.00 0.00 174.62 174.50 3mec s ILE 132 N 1.88 4.81 0.49 1.82 1.01 -0.18 -4.59 121.20 126.45 3mec s ILE 132 Ca 0.01 1.66 -0.21 0.00 0.00 0.00 0.00 60.65 62.12 3mec s ILE 132 Cb -0.12 -4.15 -0.08 0.00 0.01 0.00 0.00 42.46 38.12 3mec s ILE 132 CO -0.03 -0.08 1.07 -2.16 0.00 0.00 0.00 174.94 173.74 3mec s PRO 133 N 2.82 3.70 0.93 2.79 0.04 -1.26 -1.51 135.00 142.50 3mec s PRO 133 Ca 0.37 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 62.76 3mec s PRO 133 Cb -0.15 -2.13 0.15 0.00 0.04 0.00 0.00 34.50 32.41 3mec s PRO 133 CO 0.08 -0.54 1.11 -1.54 0.04 0.00 0.00 177.00 176.15 3mec s SER 134 N -1.84 3.28 0.04 6.66 1.04 -1.26 -4.89 113.70 116.74 3mec s SER 134 Ca 0.68 1.16 -0.30 0.00 0.48 0.00 0.00 55.95 57.96 3mec s SER 134 Cb -0.20 -1.80 -0.09 0.00 0.10 0.00 0.00 66.02 64.03 3mec s SER 134 CO 0.24 -2.72 1.85 -0.63 0.98 0.00 0.00 173.24 172.96 3mec s ILE 135 N -3.10 3.02 -1.54 -1.02 1.01 -1.26 -1.22 121.20 117.08 3mec s ILE 135 Ca 0.64 0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.49 3mec s ILE 135 Cb -0.17 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.18 3mec s ILE 135 CO 0.56 -0.01 0.00 0.59 0.00 0.00 0.00 174.94 176.07 3mec n ASN 136 N 6.87 -4.28 0.00 3.58 3.02 -1.26 -2.66 115.26 120.54 3mec n ASN 136 Ca 0.19 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 3mec n ASN 136 Cb 0.41 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 35.82 3mec n ASN 136 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3mec n ASN 137 N -0.76 -2.95 0.08 6.41 5.15 -0.36 -4.90 115.26 117.93 3mec n ASN 137 Ca -0.15 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.82 3mec n ASN 137 Cb 0.52 -0.96 0.24 0.00 -0.53 0.00 0.00 39.78 39.04 3mec n ASN 137 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 3mec h GLU 138 N 1.09 0.29 -5.48 1.20 4.57 -1.72 -3.45 114.58 111.07 3mec h GLU 138 Ca 0.00 -0.12 -0.53 0.00 -1.18 0.00 0.00 59.36 57.53 3mec h GLU 138 Cb 0.15 -0.01 -0.14 0.00 -0.16 0.00 0.00 28.75 28.60 3mec h GLU 138 CO 0.00 0.61 -0.63 0.95 -1.18 0.00 0.00 179.01 178.75 3mec s THR 139 N -4.27 1.62 0.39 0.32 -4.23 -1.26 -5.11 115.64 103.11 3mec s THR 139 Ca -0.05 -2.06 -0.26 0.00 -1.18 0.00 0.00 61.69 58.14 3mec s THR 139 Cb 0.14 -2.72 -0.11 0.00 1.34 0.00 0.00 72.50 71.15 3mec s THR 139 CO 0.77 -0.12 1.26 -2.65 -0.54 0.00 0.00 174.62 173.34 3mec n PRO 140 N -0.73 1.97 -1.96 3.99 -0.02 -1.26 -4.12 135.00 132.87 3mec n PRO 140 Ca -0.04 0.70 -0.29 0.00 -2.02 0.00 0.00 63.50 61.85 3mec n PRO 140 Cb 0.65 -2.34 0.14 0.00 -0.02 0.00 0.00 33.50 31.93 3mec n PRO 140 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3mec s GLY 141 N -0.45 1.70 -0.19 -1.23 0.00 -1.26 -4.62 107.32 101.26 3mec s GLY 141 Ca 0.59 -1.00 -0.16 0.00 0.00 0.00 0.00 44.72 44.15 3mec s GLY 141 CO 0.60 -0.36 0.42 -0.42 0.00 0.00 0.00 173.10 173.33 3mec s ILE 142 N -3.71 5.19 -0.14 0.90 1.01 -0.57 -4.90 121.20 118.98 3mec s ILE 142 Ca 0.68 0.75 -0.03 0.00 0.00 0.00 0.00 60.65 62.06 3mec s ILE 142 Cb -0.07 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 3mec s ILE 142 CO 0.51 0.25 -0.04 -0.13 0.00 0.00 0.00 174.94 175.53 3mec s ARG 143 N 1.26 3.48 0.22 2.79 0.52 -1.26 -1.01 118.95 124.95 3mec s ARG 143 Ca 0.20 -0.52 0.06 0.00 -0.52 0.00 0.00 55.73 54.95 3mec s ARG 143 Cb -0.15 -2.85 -0.05 0.00 0.52 0.00 0.00 34.95 32.42 3mec s ARG 143 CO 0.08 0.34 -0.07 0.71 0.02 0.00 0.00 175.30 176.38 3mec s TYR 144 N 0.09 1.64 0.09 -0.53 2.02 -0.50 -0.15 117.35 120.02 3mec s TYR 144 Ca -0.01 -0.74 0.03 0.00 -0.37 0.00 0.00 57.07 55.98 3mec s TYR 144 Cb -0.14 -0.88 -0.04 0.00 -0.40 0.00 0.00 41.96 40.51 3mec s TYR 144 CO 0.03 0.17 -0.09 1.14 -1.57 0.00 0.00 175.55 175.22 3mec s GLN 145 N -3.75 0.81 0.41 -0.62 -2.07 -0.35 -0.16 119.66 113.94 3mec s GLN 145 Ca 0.25 -1.15 -0.23 0.00 -1.82 0.00 0.00 55.36 52.41 3mec s GLN 145 Cb 0.03 -0.45 -0.10 0.00 -1.09 0.00 0.00 33.01 31.40 3mec s GLN 145 CO 0.07 0.06 0.99 0.71 -1.32 0.00 0.00 175.29 175.80 3mec s TYR 146 N -2.56 3.32 -0.59 9.60 2.02 -1.26 -1.53 117.35 126.35 3mec s TYR 146 Ca 0.05 1.65 0.09 0.00 -0.37 0.00 0.00 57.07 58.48 3mec s TYR 146 Cb -0.02 -2.97 -0.05 0.00 -0.40 0.00 0.00 41.96 38.52 3mec s TYR 146 CO -0.01 -0.30 0.47 0.09 -1.57 0.00 0.00 175.55 174.23 3mec n ASN 147 N -0.33 0.74 -4.42 2.29 3.02 -0.03 -4.71 115.26 111.82 3mec n ASN 147 Ca 0.06 -0.87 -0.20 0.00 -0.03 0.00 0.00 54.58 53.54 3mec n ASN 147 Cb 0.52 0.75 -0.11 0.00 -0.61 0.00 0.00 39.78 40.34 3mec n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3mec s VAL 148 N -1.55 1.10 -0.17 2.41 -7.23 -1.22 -0.08 120.40 113.66 3mec s VAL 148 Ca 0.05 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 57.92 3mec s VAL 148 Cb 0.07 -2.73 -0.06 0.00 0.56 0.00 0.00 36.38 34.21 3mec s VAL 148 CO 0.29 -0.03 2.16 0.18 -0.31 0.00 0.00 175.10 177.39 3mec n LEU 149 N -0.63 3.37 -4.79 1.32 4.77 -0.72 -4.65 117.00 115.67 3mec n LEU 149 Ca -0.02 0.37 -0.35 0.00 -0.03 0.00 0.00 56.01 55.98 3mec n LEU 149 Cb 0.66 -1.53 -0.04 0.00 -2.33 0.00 0.00 43.42 40.19 3mec n LEU 149 CO 0.41 -0.50 0.73 -2.84 -1.33 0.00 0.00 177.39 173.86 3mec s PRO 150 N 5.92 3.94 0.15 3.23 0.02 -1.26 -4.08 135.00 142.92 3mec s PRO 150 Ca 0.99 1.44 -0.31 0.00 0.02 0.00 0.00 61.00 63.14 3mec s PRO 150 Cb -0.40 -2.28 -0.08 0.00 0.02 0.00 0.00 34.50 31.75 3mec s PRO 150 CO 0.38 -0.33 1.37 -0.65 -0.33 0.00 0.00 177.00 177.44 3mec s GLN 151 N -2.92 4.34 0.00 5.54 -0.21 -1.26 -3.16 119.66 121.99 3mec s GLN 151 Ca 0.63 2.08 0.00 0.00 0.02 0.00 0.00 55.36 58.10 3mec s GLN 151 Cb -0.19 -3.22 0.00 0.00 1.00 0.00 0.00 33.01 30.60 3mec s GLN 151 CO 0.24 -0.38 0.00 0.41 -2.12 0.00 0.00 175.29 173.44 3mec n GLY 152 N 3.06 1.75 3.81 3.09 0.00 -1.26 -4.80 105.19 110.84 3mec n GLY 152 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3mec n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3mec s TRP 153 N -2.36 3.47 0.38 1.61 -0.00 -1.19 -4.69 118.94 116.16 3mec s TRP 153 Ca 0.00 1.58 0.07 0.00 -0.00 0.00 0.00 56.10 57.76 3mec s TRP 153 Cb 0.00 -2.80 0.77 0.00 -0.00 0.00 0.00 33.47 31.44 3mec s TRP 153 CO 0.00 0.06 1.96 -0.22 -0.00 0.00 0.00 176.95 178.75 3mec h LYS 154 N 2.49 0.42 0.00 5.86 3.64 -1.92 -2.88 116.57 124.18 3mec h LYS 154 Ca -0.48 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 3mec h LYS 154 Cb 1.18 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3mec h LYS 154 CO 0.63 0.41 -0.25 0.41 -2.27 0.00 0.00 179.45 178.38 3mec n GLY 155 N -1.11 -1.41 0.09 5.01 0.00 -1.26 -4.45 105.19 102.07 3mec n GLY 155 Ca 0.01 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 3mec n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3mec h SER 156 N 0.00 0.18 -0.59 1.61 0.02 -1.80 -1.72 113.55 111.25 3mec h SER 156 Ca 0.00 -0.36 -0.02 0.00 -0.84 0.00 0.00 61.79 60.57 3mec h SER 156 Cb 0.54 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 3mec h SER 156 CO 0.00 0.50 0.31 1.55 -1.14 0.00 0.00 176.83 178.05 3mec h PRO 157 N -0.15 0.84 -0.57 3.45 0.13 -1.80 0.21 132.00 134.11 3mec h PRO 157 Ca 0.02 -0.11 -0.05 0.00 -0.87 0.00 0.00 66.00 65.00 3mec h PRO 157 Cb 0.42 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.37 3mec h PRO 157 CO 0.01 0.66 0.17 0.00 -0.23 0.00 0.00 178.00 178.61 3mec h ALA 158 N 1.13 0.74 -0.13 -0.56 0.00 -1.82 -1.31 119.26 117.32 3mec h ALA 158 Ca 0.21 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 3mec h ALA 158 Cb 0.08 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.66 3mec h ALA 158 CO -0.03 0.41 -0.79 0.82 0.00 0.00 0.00 179.25 179.66 3mec h ILE 159 N 0.80 1.29 -0.09 0.00 2.04 -1.12 -1.23 117.51 119.19 3mec h ILE 159 Ca 0.18 -2.02 0.02 0.00 1.00 0.00 0.00 64.86 64.05 3mec h ILE 159 Cb 0.29 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 3mec h ILE 159 CO -0.00 0.63 -0.05 0.15 0.00 0.00 0.00 178.15 178.88 3mec h PHE 160 N 0.50 -0.11 -0.84 1.37 3.57 -0.88 -0.16 116.94 120.40 3mec h PHE 160 Ca -0.06 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 3mec h PHE 160 Cb 1.42 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 40.18 3mec h PHE 160 CO 0.08 -0.07 0.41 0.37 -2.23 0.00 0.00 178.31 176.87 3mec h GLN 161 N -0.04 1.20 -0.36 1.11 5.75 -1.18 -0.69 115.11 120.91 3mec h GLN 161 Ca 0.05 -0.17 -0.10 0.00 -0.15 0.00 0.00 58.65 58.28 3mec h GLN 161 Cb 0.12 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 3mec h GLN 161 CO -0.12 0.91 -0.20 0.66 -2.65 0.00 0.00 178.83 177.43 3mec h SER 162 N 1.19 0.68 -0.42 -0.69 4.64 -1.02 -0.70 113.55 117.24 3mec h SER 162 Ca 0.29 -0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 3mec h SER 162 Cb 0.10 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 3mec h SER 162 CO -0.04 0.88 0.17 0.28 -0.87 0.00 0.00 176.83 177.25 3mec h SER 163 N 0.60 0.57 -0.58 4.97 0.02 -0.45 -1.17 113.55 117.52 3mec h SER 163 Ca 0.09 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.78 3mec h SER 163 Cb 0.68 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 3mec h SER 163 CO 0.05 0.58 -0.00 -0.03 -1.14 0.00 0.00 176.83 176.29 3mec h MET 164 N 0.53 1.02 -0.67 3.45 -1.53 -0.91 -0.91 114.93 115.91 3mec h MET 164 Ca 0.14 -0.33 0.01 0.00 -3.44 0.00 0.00 59.70 56.08 3mec h MET 164 Cb 0.19 -0.09 -0.03 0.00 -0.55 0.00 0.00 31.60 31.11 3mec h MET 164 CO -0.01 1.01 0.44 1.15 0.14 0.00 0.00 176.91 179.64 3mec h THR 165 N 0.91 1.17 -0.76 -0.77 2.02 -0.93 0.17 112.91 114.72 3mec h THR 165 Ca 0.16 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.97 3mec h THR 165 Cb 0.55 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 3mec h THR 165 CO 0.03 0.17 0.28 0.11 0.37 0.00 0.00 175.52 176.47 3mec h LYS 166 N 0.91 1.16 -0.00 6.66 1.57 -0.87 -2.45 116.57 123.54 3mec h LYS 166 Ca 0.24 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 3mec h LYS 166 Cb -0.10 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 3mec h LYS 166 CO -0.05 0.96 -0.50 0.82 -0.57 0.00 0.00 179.45 180.11 3mec h ILE 167 N 1.12 1.36 0.00 1.86 2.04 -0.66 -3.10 117.51 120.13 3mec h ILE 167 Ca 0.25 -1.73 -0.10 0.00 1.00 0.00 0.00 64.86 64.28 3mec h ILE 167 Cb 0.26 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 3mec h ILE 167 CO -0.02 0.49 -0.46 -0.07 0.00 0.00 0.00 178.15 178.10 3mec h LEU 168 N 0.01 0.00 -0.47 1.44 3.38 -0.43 -3.40 115.31 115.84 3mec h LEU 168 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3mec h LEU 168 Cb 0.89 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.57 3mec h LEU 168 CO 0.07 0.46 -0.44 -0.33 0.09 0.00 0.00 178.44 178.29 3mec h GLU 169 N 0.00 -0.19 -0.67 1.13 4.39 -1.36 -0.61 114.58 117.27 3mec h GLU 169 Ca -0.00 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.77 3mec h GLU 169 Cb 1.31 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.96 3mec h GLU 169 CO 0.06 -0.13 0.44 -1.35 -1.16 0.00 0.00 179.01 176.87 3mec h PRO 170 N -0.20 0.66 -0.15 2.33 0.11 -1.79 -0.33 132.00 132.62 3mec h PRO 170 Ca 0.08 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.97 3mec h PRO 170 Cb 0.41 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 3mec h PRO 170 CO -0.55 0.43 -0.62 0.35 -0.21 0.00 0.00 178.00 177.40 3mec h PHE 171 N 0.68 0.71 -0.33 0.65 3.04 -1.48 -0.84 116.94 119.35 3mec h PHE 171 Ca 0.29 -0.27 -0.08 0.00 3.98 0.00 0.00 57.97 61.88 3mec h PHE 171 Cb 0.27 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 3mec h PHE 171 CO -0.00 1.03 -0.13 0.00 -2.02 0.00 0.00 178.31 177.18 3mec h ARG 172 N 0.40 0.58 -0.01 1.11 3.08 0.28 -1.91 114.38 117.92 3mec h ARG 172 Ca -0.01 -0.18 -0.23 0.00 0.07 0.00 0.00 59.98 59.63 3mec h ARG 172 Cb 1.19 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3mec h ARG 172 CO 0.12 0.70 -0.93 -0.22 -1.07 0.00 0.00 179.97 178.57 3mec h LYS 173 N 0.53 0.46 0.00 0.04 3.64 -0.86 -3.00 116.57 117.38 3mec h LYS 173 Ca 0.09 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3mec h LYS 173 Cb 0.55 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3mec h LYS 173 CO 0.03 1.13 -0.13 1.04 -2.27 0.00 0.00 179.45 179.25 3mec n GLN 174 N -3.77 0.02 -3.00 1.90 6.02 -0.34 -4.25 117.38 113.96 3mec n GLN 174 Ca -0.07 0.02 -0.18 0.00 -0.01 0.00 0.00 57.00 56.75 3mec n GLN 174 Cb 0.83 -1.52 -0.02 0.00 1.02 0.00 0.00 30.24 30.54 3mec n GLN 174 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3mec n ASN 175 N -1.56 1.83 0.31 1.08 4.13 -0.72 -4.94 115.26 115.38 3mec n ASN 175 Ca 0.06 -3.11 0.21 0.00 1.68 0.00 0.00 54.58 53.42 3mec n ASN 175 Cb 0.35 -0.58 1.09 0.00 -1.54 0.00 0.00 39.78 39.09 3mec n ASN 175 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 3mec h PRO 176 N 2.97 0.00 -0.00 3.52 0.13 -1.72 -1.11 132.00 135.80 3mec h PRO 176 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3mec h PRO 176 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3mec h PRO 176 CO 0.58 0.00 -0.14 -0.25 -0.23 0.00 0.00 178.00 177.96 3mec n ASP 177 N -2.98 0.29 -4.55 1.44 10.43 -1.26 -4.82 116.55 115.10 3mec n ASP 177 Ca -0.02 -0.15 -0.29 0.00 2.57 0.00 0.00 54.79 56.89 3mec n ASP 177 Cb 0.10 -0.16 -0.10 0.00 1.84 0.00 0.00 41.12 42.80 3mec n ASP 177 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 3mec s ILE 178 N -2.74 3.16 0.01 0.53 -1.16 -0.42 -4.52 121.20 116.06 3mec s ILE 178 Ca 0.21 -1.42 0.08 0.00 -0.51 0.00 0.00 60.65 59.01 3mec s ILE 178 Cb 0.19 -2.48 -0.02 0.00 0.61 0.00 0.00 42.46 40.76 3mec s ILE 178 CO 0.53 0.07 -0.23 0.54 -2.81 0.00 0.00 174.94 173.04 3mec s VAL 179 N -1.28 1.85 -0.05 4.00 0.11 -0.26 -4.98 120.40 119.78 3mec s VAL 179 Ca 0.21 -1.13 -0.01 0.00 -2.93 0.00 0.00 61.98 58.12 3mec s VAL 179 Cb -0.10 -1.56 0.03 0.00 -1.53 0.00 0.00 36.38 33.21 3mec s VAL 179 CO 0.13 0.40 0.01 -0.63 -3.33 0.00 0.00 175.10 171.68 3mec s ILE 180 N -0.66 0.23 -0.16 7.04 1.01 -1.26 -1.04 121.20 126.36 3mec s ILE 180 Ca 0.09 0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.84 3mec s ILE 180 Cb -0.09 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 3mec s ILE 180 CO 0.00 0.21 0.03 -0.47 0.00 0.00 0.00 174.94 174.72 3mec s TYR 181 N 1.68 3.20 -0.13 3.97 5.04 -0.26 -4.95 117.35 125.91 3mec s TYR 181 Ca -0.00 0.01 -0.10 0.00 -2.44 0.00 0.00 57.07 54.54 3mec s TYR 181 Cb -0.13 -2.01 -0.05 0.00 0.35 0.00 0.00 41.96 40.13 3mec s TYR 181 CO -0.03 0.17 0.21 -0.65 -1.34 0.00 0.00 175.55 173.90 3mec s GLN 182 N 0.17 3.84 -0.17 4.97 -0.21 -1.26 -1.11 119.66 125.89 3mec s GLN 182 Ca 0.03 -0.02 -0.07 0.00 0.02 0.00 0.00 55.36 55.32 3mec s GLN 182 Cb -0.13 -3.29 0.08 0.00 1.00 0.00 0.00 33.01 30.67 3mec s GLN 182 CO 0.01 0.56 0.37 -0.47 -2.12 0.00 0.00 175.29 173.64 3mec s TYR 183 N -0.44 -0.64 0.00 0.91 5.04 -0.92 -5.03 117.35 116.26 3mec s TYR 183 Ca 0.15 1.31 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 3mec s TYR 183 Cb -0.13 0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.38 3mec s TYR 183 CO 0.04 -0.41 0.00 -1.33 -1.34 0.00 0.00 175.55 172.51 3mec n MET 184 N 5.11 0.00 -0.65 4.97 2.81 -1.26 -0.31 117.12 127.79 3mec n MET 184 Ca -0.12 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.84 3mec n MET 184 Cb 0.51 0.00 0.33 0.00 -0.71 0.00 0.00 33.22 33.34 3mec n MET 184 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3mec n ASP 185 N 3.31 4.59 -4.74 7.83 5.68 -1.26 -4.92 116.55 127.03 3mec n ASP 185 Ca 0.00 -2.59 -0.27 0.00 -0.50 0.00 0.00 54.79 51.42 3mec n ASP 185 Cb 0.00 -0.60 -0.07 0.00 -1.14 0.00 0.00 41.12 39.31 3mec n ASP 185 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 3mec s ASP 186 N -0.73 5.21 -0.09 -1.12 1.01 0.58 -0.88 116.67 120.65 3mec s ASP 186 Ca 0.45 -0.20 0.02 0.00 0.71 0.00 0.00 52.55 53.53 3mec s ASP 186 Cb 0.32 -1.28 0.01 0.00 1.01 0.00 0.00 42.92 42.98 3mec s ASP 186 CO 0.17 0.10 -0.16 -0.76 0.21 0.00 0.00 175.17 174.74 3mec s LEU 187 N -2.84 1.76 -0.30 1.23 1.43 0.15 -2.17 118.68 117.94 3mec s LEU 187 Ca 0.29 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 3mec s LEU 187 Cb -0.10 -1.04 0.03 0.00 0.03 0.00 0.00 46.19 45.11 3mec s LEU 187 CO 0.21 0.05 0.02 -0.31 0.23 0.00 0.00 176.35 176.55 3mec s TYR 188 N 0.72 3.19 -0.07 0.29 1.51 -0.26 -0.84 117.35 121.90 3mec s TYR 188 Ca -0.12 -1.54 0.04 0.00 -1.01 0.00 0.00 57.07 54.44 3mec s TYR 188 Cb -0.16 -2.16 -0.02 0.00 -0.11 0.00 0.00 41.96 39.51 3mec s TYR 188 CO 0.03 -0.73 -0.19 0.08 -1.11 0.00 0.00 175.55 173.63 3mec s VAL 189 N 1.35 2.60 -0.01 0.71 1.01 -0.15 -1.10 120.40 124.81 3mec s VAL 189 Ca -0.02 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 3mec s VAL 189 Cb -0.18 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 3mec s VAL 189 CO -0.00 0.57 0.09 -0.83 0.00 0.00 0.00 175.10 174.92 3mec s GLY 190 N -0.25 0.05 0.18 4.51 0.00 -0.20 -0.92 107.32 110.69 3mec s GLY 190 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 44.72 44.55 3mec s GLY 190 CO 0.03 -0.17 0.30 -1.35 0.00 0.00 0.00 173.10 171.91 3mec s SER 191 N -0.88 0.03 -0.55 1.64 1.04 -0.51 -1.10 113.70 113.37 3mec s SER 191 Ca -0.10 -0.94 0.01 0.00 0.48 0.00 0.00 55.95 55.41 3mec s SER 191 Cb -0.06 0.46 0.56 0.00 0.10 0.00 0.00 66.02 67.08 3mec s SER 191 CO 0.00 -0.93 1.96 0.47 0.98 0.00 0.00 173.24 175.72 3mec n ASP 192 N -0.25 5.70 -4.92 7.02 10.43 -1.26 -2.09 116.55 131.17 3mec n ASP 192 Ca -0.05 -3.70 -0.28 0.00 2.57 0.00 0.00 54.79 53.33 3mec n ASP 192 Cb 0.63 -0.90 -0.03 0.00 1.84 0.00 0.00 41.12 42.66 3mec n ASP 192 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3mec s LEU 193 N -3.56 4.15 0.58 0.64 2.01 -1.26 -4.88 118.68 116.35 3mec s LEU 193 Ca 0.61 0.54 -0.16 0.00 0.01 0.00 0.00 54.13 55.12 3mec s LEU 193 Cb 0.49 -3.33 -0.04 0.00 0.01 0.00 0.00 46.19 43.32 3mec s LEU 193 CO 0.05 -0.11 1.05 -1.61 1.01 0.00 0.00 176.35 176.74 3mec s GLU 194 N -3.43 3.41 0.51 1.70 8.01 -1.26 -4.26 118.70 123.38 3mec s GLU 194 Ca 0.41 1.21 0.37 0.00 0.01 0.00 0.00 54.97 56.97 3mec s GLU 194 Cb -0.11 -2.05 1.53 0.00 -4.31 0.00 0.00 34.13 29.20 3mec s GLU 194 CO 0.29 -0.73 1.70 0.82 0.01 0.00 0.00 175.26 177.35 3mec h ILE 195 N 0.61 0.26 0.13 -1.63 2.04 -1.98 -1.49 117.51 115.44 3mec h ILE 195 Ca -0.47 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 3mec h ILE 195 Cb 1.22 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3mec h ILE 195 CO 0.58 0.01 -0.06 1.23 0.00 0.00 0.00 178.15 179.91 3mec h GLY 196 N 0.06 -0.18 2.00 5.37 0.00 -1.99 -0.97 103.07 107.36 3mec h GLY 196 Ca 0.72 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 48.09 3mec h GLY 196 CO -0.12 -0.06 -0.13 1.46 0.00 0.00 0.00 176.54 177.68 3mec h GLN 197 N -0.88 0.00 0.00 4.80 4.20 -1.67 -2.78 115.11 118.78 3mec h GLN 197 Ca -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3mec h GLN 197 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3mec h GLN 197 CO 0.03 0.13 -0.01 1.25 -0.67 0.00 0.00 178.83 179.56 3mec h HIS 198 N 0.00 0.01 -0.42 2.96 2.76 -1.34 -2.46 115.15 116.66 3mec h HIS 198 Ca -0.00 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.26 3mec h HIS 198 Cb 0.39 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 3mec h HIS 198 CO 0.00 0.89 0.29 0.00 -1.30 0.00 0.00 177.93 177.82 3mec h ARG 199 N -0.87 0.14 -0.35 5.26 3.08 -1.13 0.13 114.38 120.64 3mec h ARG 199 Ca -0.00 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 3mec h ARG 199 Cb 0.90 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 3mec h ARG 199 CO 0.00 0.09 -0.38 1.15 -1.07 0.00 0.00 179.97 179.77 3mec h THR 200 N 0.14 1.28 -0.33 2.04 2.02 -1.46 -2.37 112.91 114.23 3mec h THR 200 Ca 0.20 -1.55 -0.17 0.00 0.77 0.00 0.00 66.41 65.66 3mec h THR 200 Cb 0.60 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3mec h THR 200 CO -0.03 0.51 -0.45 0.11 0.37 0.00 0.00 175.52 176.04 3mec h LYS 201 N 0.67 0.86 -0.59 6.66 1.79 -0.39 -2.34 116.57 123.24 3mec h LYS 201 Ca 0.06 -0.48 0.07 0.00 -2.18 0.00 0.00 60.65 58.11 3mec h LYS 201 Cb 0.94 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.56 3mec h LYS 201 CO 0.09 1.12 0.27 0.82 -1.08 0.00 0.00 179.45 180.67 3mec h ILE 202 N 0.68 0.89 -0.43 1.86 1.08 -0.79 -0.99 117.51 119.82 3mec h ILE 202 Ca 0.04 -0.17 -0.08 0.00 -0.39 0.00 0.00 64.86 64.25 3mec h ILE 202 Cb 1.03 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 3mec h ILE 202 CO 0.10 0.09 -0.07 -0.33 -0.69 0.00 0.00 178.15 177.25 3mec h GLU 203 N 0.51 0.74 -0.19 2.37 4.39 -1.19 0.83 114.58 122.04 3mec h GLU 203 Ca 0.27 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 3mec h GLU 203 Cb 0.25 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3mec h GLU 203 CO -0.22 0.80 -0.15 0.93 -1.16 0.00 0.00 179.01 179.21 3mec h GLU 204 N 0.68 0.31 0.23 2.33 5.08 -0.96 0.53 114.58 122.78 3mec h GLU 204 Ca 0.12 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3mec h GLU 204 Cb 0.53 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3mec h GLU 204 CO 0.03 0.47 -0.11 1.25 -1.00 0.00 0.00 179.01 179.65 3mec h LEU 205 N 0.29 -0.26 -0.25 1.33 6.46 0.19 -0.40 115.31 122.68 3mec h LEU 205 Ca 0.06 -0.23 0.04 0.00 -0.12 0.00 0.00 57.88 57.64 3mec h LEU 205 Cb 0.44 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.40 3mec h LEU 205 CO 0.03 0.11 -0.01 0.03 -0.62 0.00 0.00 178.44 177.98 3mec h ARG 206 N -0.67 0.06 -0.80 1.25 3.08 -0.79 0.56 114.38 117.08 3mec h ARG 206 Ca -0.03 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.14 3mec h ARG 206 Cb 0.47 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.42 3mec h ARG 206 CO 0.05 0.04 0.40 1.96 -1.07 0.00 0.00 179.97 181.36 3mec h GLN 207 N 0.06 0.60 -0.24 0.04 1.08 -0.92 0.46 115.11 116.19 3mec h GLN 207 Ca 0.12 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 57.16 3mec h GLN 207 Cb 0.16 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 3mec h GLN 207 CO -0.21 0.40 -0.38 1.25 -0.95 0.00 0.00 178.83 178.93 3mec h HIS 208 N 0.62 0.65 -0.01 2.96 2.76 0.53 -1.27 115.15 121.38 3mec h HIS 208 Ca 0.42 -0.18 -0.00 0.00 -2.20 0.00 0.00 60.37 58.41 3mec h HIS 208 Cb 0.55 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.36 3mec h HIS 208 CO -0.10 0.85 0.00 -0.07 -1.30 0.00 0.00 177.93 177.31 3mec h LEU 209 N 0.46 0.01 -1.54 0.26 4.07 0.16 -3.07 115.31 115.67 3mec h LEU 209 Ca 0.04 -0.25 -0.05 0.00 0.08 0.00 0.00 57.88 57.71 3mec h LEU 209 Cb 0.87 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.60 3mec h LEU 209 CO 0.07 0.26 -0.24 0.25 -1.08 0.00 0.00 178.44 177.70 3mec h LEU 210 N -0.23 0.00 -2.38 1.67 5.85 0.03 0.24 115.31 120.48 3mec h LEU 210 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3mec h LEU 210 Cb 0.25 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 3mec h LEU 210 CO 0.00 0.24 -0.02 0.03 -0.34 0.00 0.00 178.44 178.35 3mec h ARG 211 N 0.00 0.00 -0.23 1.25 3.08 -1.13 -2.76 114.38 114.59 3mec h ARG 211 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mec h ARG 211 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3mec h ARG 211 CO 0.03 0.02 0.00 0.91 -1.07 0.00 0.00 179.97 179.86 3mec n TRP 212 N -3.23 0.74 -0.22 3.04 7.02 0.78 -4.90 117.44 120.67 3mec n TRP 212 Ca -0.02 -0.84 0.00 0.00 -1.02 0.00 0.00 57.50 55.62 3mec n TRP 212 Cb 0.16 -0.25 0.00 0.00 -2.42 0.00 0.00 31.31 28.80 3mec n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3mec n GLY 213 N -0.51 0.62 3.25 6.99 0.00 -1.04 -4.25 105.19 110.26 3mec n GLY 213 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3mec n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mec s LEU 214 N 0.00 3.95 0.40 0.99 1.43 -0.91 -4.40 118.68 120.15 3mec s LEU 214 Ca 0.00 -1.04 -0.16 0.00 -1.03 0.00 0.00 54.13 51.90 3mec s LEU 214 Cb 0.00 -1.80 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 3mec s LEU 214 CO 0.00 -0.25 0.85 0.42 0.23 0.00 0.00 176.35 177.59 3mec s THR 215 N 1.38 4.59 -0.13 5.49 -4.23 -1.26 -2.79 115.64 118.68 3mec s THR 215 Ca -0.01 1.10 -0.03 0.00 -1.18 0.00 0.00 61.69 61.56 3mec s THR 215 Cb -0.19 -3.64 0.05 0.00 1.34 0.00 0.00 72.50 70.06 3mec s THR 215 CO 0.01 -0.36 0.05 0.42 -0.54 0.00 0.00 174.62 174.20 3mec s THR 216 N -2.21 0.15 0.32 3.99 -4.23 -1.26 -1.92 115.64 110.48 3mec s THR 216 Ca 0.57 -0.07 -0.25 0.00 -1.18 0.00 0.00 61.69 60.75 3mec s THR 216 Cb -0.10 -0.58 -0.15 0.00 1.34 0.00 0.00 72.50 73.01 3mec s THR 216 CO 0.21 -0.06 0.59 -2.65 -0.54 0.00 0.00 174.62 172.17 3mec n PRO 217 N 5.20 0.51 0.00 3.99 -0.02 -1.26 -4.91 135.00 138.51 3mec n PRO 217 Ca -0.07 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3mec n PRO 217 Cb 0.49 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 3mec n PRO 217 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3mec n ASP 218 N 1.60 0.00 -0.51 2.55 8.00 -1.26 -4.81 116.55 122.12 3mec n ASP 218 Ca 0.13 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.67 3mec n ASP 218 Cb 0.34 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.55 3mec n ASP 218 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3mec n LYS 219 N 0.00 1.65 -3.99 -1.24 4.81 -1.26 -5.14 118.16 112.99 3mec n LYS 219 Ca 0.00 -0.93 -0.34 0.00 -0.87 0.00 0.00 58.31 56.17 3mec n LYS 219 Cb 0.00 -1.25 -0.15 0.00 0.02 0.00 0.00 35.03 33.66 3mec n LYS 219 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3mec s LYS 220 N -1.66 2.87 0.00 1.64 -0.14 -1.26 -5.26 119.74 115.93 3mec s LYS 220 Ca 0.17 -0.95 0.00 0.00 -1.36 0.00 0.00 55.97 53.84 3mec s LYS 220 Cb 0.09 -2.90 0.00 0.00 -1.68 0.00 0.00 37.83 33.34 3mec s LYS 220 CO 0.11 -0.36 0.00 1.63 -0.76 0.00 0.00 175.35 175.97 3mec n LYS 223 N 4.65 1.28 -2.94 1.68 5.02 -1.26 -5.04 118.16 121.55 3mec n LYS 223 Ca -0.17 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 55.91 3mec n LYS 223 Cb 0.48 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.50 3mec n LYS 223 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3mec s GLU 224 N 4.62 2.84 0.99 1.97 2.02 -1.26 -4.99 118.70 124.90 3mec s GLU 224 Ca 0.00 -0.81 -0.14 0.00 0.02 0.00 0.00 54.97 54.04 3mec s GLU 224 Cb 0.00 -2.61 0.06 0.00 0.10 0.00 0.00 34.13 31.68 3mec s GLU 224 CO 0.00 -0.38 0.39 -2.30 0.02 0.00 0.00 175.26 172.99 3mec n PRO 225 N -2.06 -0.62 -2.50 0.39 -0.02 -1.26 -4.53 135.00 124.39 3mec n PRO 225 Ca 0.05 -0.14 -0.35 0.00 -2.02 0.00 0.00 63.50 61.03 3mec n PRO 225 Cb 0.59 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.17 3mec n PRO 225 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3mec s PRO 226 N -3.68 3.84 -0.17 0.52 0.04 -1.26 -5.12 135.00 129.17 3mec s PRO 226 Ca 0.58 1.44 -0.14 0.00 0.04 0.00 0.00 61.00 62.91 3mec s PRO 226 Cb -0.19 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 3mec s PRO 226 CO 0.67 -0.41 0.32 -0.06 0.04 0.00 0.00 177.00 177.55 3mec s PHE 227 N -1.87 3.43 -0.23 0.56 0.08 0.27 -4.88 117.98 115.34 3mec s PHE 227 Ca 0.65 0.59 -0.25 0.00 0.12 0.00 0.00 56.93 58.04 3mec s PHE 227 Cb -0.19 -2.39 -0.00 0.00 -0.57 0.00 0.00 43.02 39.87 3mec s PHE 227 CO 0.23 0.17 0.86 -0.51 -0.10 0.00 0.00 175.22 175.86 3mec s LEU 228 N 0.70 4.09 -0.15 -0.37 1.43 -1.26 0.08 118.68 123.21 3mec s LEU 228 Ca 0.17 1.09 -0.04 0.00 -1.03 0.00 0.00 54.13 54.32 3mec s LEU 228 Cb -0.13 -3.24 0.07 0.00 0.03 0.00 0.00 46.19 42.92 3mec s LEU 228 CO 0.05 -0.52 0.20 0.86 0.23 0.00 0.00 176.35 177.16 3mec s TRP 229 N 2.82 -0.23 -1.51 0.29 -0.00 0.39 -4.94 118.94 115.77 3mec s TRP 229 Ca 0.36 0.43 -0.12 0.00 -0.00 0.00 0.00 56.10 56.78 3mec s TRP 229 Cb -0.15 -0.30 0.07 0.00 -0.00 0.00 0.00 33.47 33.09 3mec s TRP 229 CO 0.08 -0.44 0.91 -1.33 -0.00 0.00 0.00 176.95 176.16 3mec n MET 230 N 5.32 -5.22 -0.06 5.86 2.81 -1.26 0.31 117.12 124.88 3mec n MET 230 Ca -0.05 0.58 0.00 0.00 -1.81 0.00 0.00 57.70 56.42 3mec n MET 230 Cb 0.50 -5.38 0.00 0.00 -0.71 0.00 0.00 33.22 27.62 3mec n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3mec n GLY 231 N -1.67 1.57 3.81 3.03 0.00 -1.26 -5.04 105.19 105.64 3mec n GLY 231 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 3mec n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mec s TYR 232 N -2.62 2.89 -0.31 1.61 2.02 0.15 -0.02 117.35 121.07 3mec s TYR 232 Ca 0.00 -0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.43 3mec s TYR 232 Cb 0.00 -1.67 0.07 0.00 -0.40 0.00 0.00 41.96 39.96 3mec s TYR 232 CO 0.00 0.29 0.00 -2.00 -1.57 0.00 0.00 175.55 172.28 3mec s GLU 233 N -3.92 2.09 -0.15 -0.62 2.12 0.12 -0.46 118.70 117.87 3mec s GLU 233 Ca 0.38 -1.51 -0.14 0.00 0.36 0.00 0.00 54.97 54.07 3mec s GLU 233 Cb -0.05 -3.15 -0.05 0.00 0.26 0.00 0.00 34.13 31.14 3mec s GLU 233 CO 0.25 -0.74 0.30 -0.51 -0.54 0.00 0.00 175.26 174.02 3mec s LEU 234 N 1.11 4.25 0.39 2.70 1.43 0.11 -2.16 118.68 126.52 3mec s LEU 234 Ca -0.01 0.52 0.08 0.00 -1.03 0.00 0.00 54.13 53.69 3mec s LEU 234 Cb -0.20 -2.38 -0.07 0.00 0.03 0.00 0.00 46.19 43.57 3mec s LEU 234 CO -0.04 0.11 0.04 -1.00 0.23 0.00 0.00 176.35 175.69 3mec s HIS 235 N 0.40 2.53 0.32 0.29 3.76 0.27 -0.57 115.29 122.29 3mec s HIS 235 Ca 0.17 -0.60 0.04 0.00 -0.15 0.00 0.00 55.06 54.51 3mec s HIS 235 Cb -0.13 -1.74 0.63 0.00 1.11 0.00 0.00 32.58 32.45 3mec s HIS 235 CO 0.04 0.40 1.89 -1.35 -0.85 0.00 0.00 174.74 174.88 3mec h PRO 236 N 1.71 0.88 0.00 8.40 0.11 -1.93 -3.20 132.00 137.97 3mec h PRO 236 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3mec h PRO 236 Cb 1.25 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3mec h PRO 236 CO 0.75 0.58 -0.10 -0.40 -0.21 0.00 0.00 178.00 178.62 3mec n ASP 237 N -4.53 0.89 -3.94 -2.05 3.85 -1.26 -1.79 116.55 107.72 3mec n ASP 237 Ca 0.15 -1.78 -0.09 0.00 -0.71 0.00 0.00 54.79 52.36 3mec n ASP 237 Cb 0.30 -0.10 -0.05 0.00 -1.35 0.00 0.00 41.12 39.91 3mec n ASP 237 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3mec s LYS 238 N -0.70 1.51 0.05 0.11 -2.85 -1.21 -4.27 119.74 112.38 3mec s LYS 238 Ca 0.05 -1.16 -0.09 0.00 -1.00 0.00 0.00 55.97 53.77 3mec s LYS 238 Cb 0.04 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.29 3mec s LYS 238 CO 0.00 -0.63 0.18 1.67 0.10 0.00 0.00 175.35 176.67 3mec s TRP 239 N -3.98 0.10 0.30 1.78 1.48 -0.44 -0.57 118.94 117.61 3mec s TRP 239 Ca 0.19 -0.37 -0.09 0.00 -1.06 0.00 0.00 56.10 54.77 3mec s TRP 239 Cb -0.01 -0.05 0.00 0.00 -1.16 0.00 0.00 33.47 32.25 3mec s TRP 239 CO 0.06 -0.44 0.51 -0.08 -4.06 0.00 0.00 176.95 172.94 3mec s THR 240 N -2.81 0.00 0.63 0.66 -1.32 -0.92 0.52 115.64 112.41 3mec s THR 240 Ca -0.03 -1.44 -0.14 0.00 -1.21 0.00 0.00 61.69 58.87 3mec s THR 240 Cb 0.00 -2.45 -0.02 0.00 -1.51 0.00 0.00 72.50 68.52 3mec s THR 240 CO -0.05 0.00 1.06 0.68 -2.21 0.00 0.00 174.62 174.09 3mec s VAL 241 N -3.46 3.90 0.59 5.08 -7.23 -1.26 0.12 120.40 118.15 3mec s VAL 241 Ca 0.25 0.79 -0.18 0.00 -1.81 0.00 0.00 61.98 61.03 3mec s VAL 241 Cb -0.01 -3.39 -0.03 0.00 0.56 0.00 0.00 36.38 33.51 3mec s VAL 241 CO 0.13 -0.64 1.12 0.00 -0.31 0.00 0.00 175.10 175.41 3mec s GLN 242 N -4.44 3.11 0.07 4.82 -2.07 0.98 -4.41 119.66 117.71 3mec s GLN 242 Ca 0.61 1.52 -0.35 0.00 -1.82 0.00 0.00 55.36 55.32 3mec s GLN 242 Cb -0.15 -1.98 -0.15 0.00 -1.09 0.00 0.00 33.01 29.64 3mec s GLN 242 CO 0.43 -1.03 1.56 -0.35 -1.32 0.00 0.00 175.29 174.59 3mec n PRO 243 N -1.79 1.75 -3.52 9.60 -0.04 -1.26 -4.94 135.00 134.81 3mec n PRO 243 Ca 0.11 0.63 -0.37 0.00 -0.04 0.00 0.00 63.50 63.83 3mec n PRO 243 Cb 0.51 -2.37 -0.08 0.00 -0.04 0.00 0.00 33.50 31.52 3mec n PRO 243 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3mec s ILE 244 N 1.44 5.28 -0.24 0.52 1.09 -1.26 -5.07 121.20 122.95 3mec s ILE 244 Ca 0.84 0.47 0.02 0.00 -1.10 0.00 0.00 60.65 60.88 3mec s ILE 244 Cb -0.80 -3.62 0.05 0.00 -1.06 0.00 0.00 42.46 37.03 3mec s ILE 244 CO 0.45 0.31 -0.12 0.54 -0.10 0.00 0.00 174.94 176.02 3mec s VAL 245 N 1.10 2.23 -0.30 2.92 0.11 -1.26 -5.09 120.40 120.11 3mec s VAL 245 Ca 0.14 -1.44 -0.20 0.00 -2.93 0.00 0.00 61.98 57.55 3mec s VAL 245 Cb -0.14 -2.22 -0.01 0.00 -1.53 0.00 0.00 36.38 32.47 3mec s VAL 245 CO 0.06 0.10 0.61 -0.76 -3.33 0.00 0.00 175.10 171.78 3mec s LEU 246 N 1.16 4.13 0.80 2.54 1.43 -1.26 -5.05 118.68 122.44 3mec s LEU 246 Ca -0.05 0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 53.36 3mec s LEU 246 Cb -0.18 -2.79 0.08 0.00 0.03 0.00 0.00 46.19 43.33 3mec s LEU 246 CO -0.06 -0.44 1.21 -2.16 0.23 0.00 0.00 176.35 175.12 3mec s PRO 247 N 2.55 1.68 -0.24 1.29 0.04 -1.26 -5.02 135.00 134.04 3mec s PRO 247 Ca 0.24 1.78 -0.10 0.00 0.04 0.00 0.00 61.00 62.97 3mec s PRO 247 Cb -0.15 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 3mec s PRO 247 CO 0.11 -2.19 0.14 -1.21 0.04 0.00 0.00 177.00 173.89 3mec s GLU 248 N -4.09 4.00 -0.01 4.56 2.02 -1.26 -5.09 118.70 118.83 3mec s GLU 248 Ca 0.74 -0.31 -0.02 0.00 0.02 0.00 0.00 54.97 55.40 3mec s GLU 248 Cb -0.29 -3.49 -0.00 0.00 0.10 0.00 0.00 34.13 30.44 3mec s GLU 248 CO 0.50 0.03 0.05 0.15 0.02 0.00 0.00 175.26 176.01 3mec s LYS 249 N 1.11 0.20 0.37 1.61 1.02 -1.26 -5.01 119.74 117.78 3mec s LYS 249 Ca 0.07 -0.17 0.20 0.00 0.02 0.00 0.00 55.97 56.09 3mec s LYS 249 Cb -0.14 0.08 0.23 0.00 -0.52 0.00 0.00 37.83 37.48 3mec s LYS 249 CO 0.05 -0.04 1.52 -0.44 -0.92 0.00 0.00 175.35 175.52 3mec h ASP 250 N 5.42 0.00 -3.47 2.83 3.45 -2.05 -3.45 116.42 119.14 3mec h ASP 250 Ca -0.27 0.00 -0.38 0.00 0.43 0.00 0.00 57.03 56.81 3mec h ASP 250 Cb 1.21 0.00 -0.34 0.00 -0.56 0.00 0.00 39.33 39.64 3mec h ASP 250 CO 0.45 0.17 -0.76 -0.44 -1.57 0.00 0.00 179.24 177.08 3mec s SER 251 N -6.24 0.73 -0.20 6.45 0.01 -1.26 -5.01 113.70 108.17 3mec s SER 251 Ca 0.06 -0.08 -0.02 0.00 1.31 0.00 0.00 55.95 57.21 3mec s SER 251 Cb 0.06 -0.35 0.00 0.00 0.21 0.00 0.00 66.02 65.94 3mec s SER 251 CO 0.70 -0.08 -0.10 0.26 0.41 0.00 0.00 173.24 174.44 3mec s TRP 252 N 0.97 2.89 0.60 2.43 0.52 -1.26 -5.02 118.94 120.07 3mec s TRP 252 Ca -0.10 -1.16 -0.13 0.00 0.02 0.00 0.00 56.10 54.73 3mec s TRP 252 Cb -0.14 -2.04 -0.05 0.00 -1.15 0.00 0.00 33.47 30.10 3mec s TRP 252 CO -0.01 -0.62 1.02 0.95 0.02 0.00 0.00 176.95 178.31 3mec s THR 253 N 1.38 4.56 0.27 2.01 -4.23 -1.26 0.12 115.64 118.48 3mec s THR 253 Ca 0.05 0.95 -0.03 0.00 -1.18 0.00 0.00 61.69 61.48 3mec s THR 253 Cb -0.14 -3.76 0.30 0.00 1.34 0.00 0.00 72.50 70.23 3mec s THR 253 CO -0.06 -0.97 1.64 0.58 -0.54 0.00 0.00 174.62 175.27 3mec h VAL 254 N 0.02 0.32 -0.29 2.29 2.07 -0.87 -0.51 116.25 119.29 3mec h VAL 254 Ca -0.45 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.05 3mec h VAL 254 Cb 1.19 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3mec h VAL 254 CO 0.61 0.03 0.11 -1.13 0.02 0.00 0.00 177.57 177.21 3mec h ASN 255 N 0.15 0.13 -0.76 0.57 -0.00 -1.49 -0.77 115.58 113.41 3mec h ASN 255 Ca 0.48 0.03 0.01 0.00 -0.00 0.00 0.00 56.30 56.81 3mec h ASN 255 Cb 0.90 0.01 -0.04 0.00 -0.00 0.00 0.00 38.32 39.19 3mec h ASN 255 CO -0.67 0.11 0.50 0.44 -0.00 0.00 0.00 177.43 177.81 3mec h ASP 256 N 0.24 0.88 0.07 1.15 3.45 -1.46 -2.17 116.42 118.58 3mec h ASP 256 Ca 0.12 -0.03 -0.27 0.00 0.43 0.00 0.00 57.03 57.28 3mec h ASP 256 Cb 0.08 -0.22 0.02 0.00 -0.56 0.00 0.00 39.33 38.66 3mec h ASP 256 CO -0.12 0.64 -1.10 0.40 -1.57 0.00 0.00 179.24 177.49 3mec h ILE 257 N 1.04 1.29 -0.55 0.35 2.04 -0.85 -1.55 117.51 119.27 3mec h ILE 257 Ca 0.28 -2.33 0.08 0.00 1.00 0.00 0.00 64.86 63.89 3mec h ILE 257 Cb -0.11 2.48 -0.07 0.00 -0.74 0.00 0.00 36.82 38.38 3mec h ILE 257 CO -0.06 0.72 0.18 1.56 0.00 0.00 0.00 178.15 180.55 3mec h GLN 258 N 0.35 0.34 -0.35 2.37 4.20 -1.03 -0.55 115.11 120.44 3mec h GLN 258 Ca -0.14 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.40 3mec h GLN 258 Cb 1.76 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.45 3mec h GLN 258 CO 0.21 0.23 -0.38 0.87 -0.67 0.00 0.00 178.83 179.09 3mec h LYS 259 N 0.35 0.82 -0.42 1.46 1.57 -1.30 -1.56 116.57 117.49 3mec h LYS 259 Ca 0.27 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3mec h LYS 259 Cb 0.33 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3mec h LYS 259 CO -0.29 1.06 0.18 1.25 -0.57 0.00 0.00 179.45 181.08 3mec h LEU 260 N 0.68 0.57 -1.43 2.94 5.85 -1.02 -0.96 115.31 121.93 3mec h LEU 260 Ca 0.06 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3mec h LEU 260 Cb 0.94 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 3mec h LEU 260 CO 0.09 0.57 0.32 0.58 -0.34 0.00 0.00 178.44 179.66 3mec h VAL 261 N 0.53 1.15 -0.22 1.05 2.07 -0.93 -0.56 116.25 119.34 3mec h VAL 261 Ca 0.14 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3mec h VAL 261 Cb 0.17 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3mec h VAL 261 CO -0.01 0.15 -0.07 1.23 0.02 0.00 0.00 177.57 178.89 3mec h GLY 262 N 0.75 0.47 1.02 2.17 0.00 -0.81 -0.02 103.07 106.65 3mec h GLY 262 Ca 0.19 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3mec h GLY 262 CO -0.04 0.37 0.44 0.50 0.00 0.00 0.00 176.54 177.81 3mec h LYS 263 N 0.16 1.11 -0.24 4.80 1.57 -0.91 -0.87 116.57 122.19 3mec h LYS 263 Ca 0.05 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3mec h LYS 263 Cb 0.54 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3mec h LYS 263 CO 0.02 0.82 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.62 3mec h LEU 264 N 1.11 0.43 -1.09 2.94 4.07 -1.02 -0.09 115.31 121.66 3mec h LEU 264 Ca 0.28 -0.34 0.07 0.00 0.08 0.00 0.00 57.88 57.97 3mec h LEU 264 Cb 0.02 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 41.58 3mec h LEU 264 CO -0.05 0.67 0.61 0.78 -1.08 0.00 0.00 178.44 179.38 3mec h ASN 265 N 0.19 0.95 -0.40 -0.43 2.35 -0.87 -0.67 115.58 116.70 3mec h ASN 265 Ca 0.06 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 3mec h ASN 265 Cb 0.46 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3mec h ASN 265 CO 0.02 0.60 -0.13 -0.25 -1.65 0.00 0.00 177.43 176.02 3mec h TRP 266 N 1.08 0.91 0.00 1.19 2.91 -0.73 -2.76 115.95 118.55 3mec h TRP 266 Ca 0.41 -0.21 -0.01 0.00 1.13 0.00 0.00 58.89 60.21 3mec h TRP 266 Cb 0.21 -0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 28.64 3mec h TRP 266 CO -0.00 0.94 -0.06 0.00 -1.03 0.00 0.00 178.44 178.29 3mec h ALA 267 N 0.83 1.07 0.00 2.65 0.00 -0.36 -2.93 119.26 120.53 3mec h ALA 267 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3mec h ALA 267 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3mec h ALA 267 CO 0.05 0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.24 3mec n SER 268 N -3.26 0.00 0.26 0.00 3.41 -0.32 -1.30 113.62 112.41 3mec n SER 268 Ca -0.01 0.03 0.16 0.00 -0.26 0.00 0.00 58.87 58.79 3mec n SER 268 Cb 0.26 -0.26 0.57 0.00 -0.26 0.00 0.00 64.21 64.51 3mec n SER 268 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3mec h GLN 269 N 0.00 0.00 0.00 4.33 4.20 -1.66 -3.14 115.11 118.83 3mec h GLN 269 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3mec h GLN 269 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3mec h GLN 269 CO 0.00 0.00 0.00 1.51 -0.67 0.00 0.00 178.83 179.67 3mec n ILE 270 N -3.08 0.00 -2.89 2.54 0.13 -1.00 -0.04 119.36 115.01 3mec n ILE 270 Ca 0.01 0.00 -0.42 0.00 -1.10 0.00 0.00 62.75 61.24 3mec n ILE 270 Cb 0.36 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 39.11 3mec n ILE 270 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 3mec s TYR 271 N -0.24 3.08 0.25 9.51 2.02 -0.42 -4.66 117.35 126.88 3mec s TYR 271 Ca 0.00 0.61 -0.30 0.00 -0.37 0.00 0.00 57.07 57.01 3mec s TYR 271 Cb 0.00 -3.55 -0.10 0.00 -0.40 0.00 0.00 41.96 37.91 3mec s TYR 271 CO 0.00 -0.81 1.41 -2.14 -1.57 0.00 0.00 175.55 172.44 3mec s PRO 272 N 3.30 4.29 -0.55 -1.71 0.02 -1.26 -3.73 135.00 135.36 3mec s PRO 272 Ca 0.34 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.62 3mec s PRO 272 Cb -0.12 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3mec s PRO 272 CO 0.18 -0.38 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 3mec n GLY 273 N 2.12 0.73 3.72 0.52 0.00 -1.26 -5.01 105.19 106.02 3mec n GLY 273 Ca 0.06 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 3mec n GLY 273 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3mec n ILE 274 N -2.95 1.29 -5.07 -0.61 2.08 -1.24 -4.97 119.36 107.89 3mec n ILE 274 Ca -0.05 -0.32 -0.28 0.00 0.56 0.00 0.00 62.75 62.65 3mec n ILE 274 Cb 0.20 -1.79 -0.16 0.00 -0.75 0.00 0.00 39.64 37.15 3mec n ILE 274 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3mec s LYS 275 N -0.92 1.77 0.00 0.38 3.01 -1.26 -4.99 119.74 117.73 3mec s LYS 275 Ca 0.62 -0.80 0.00 0.00 -1.01 0.00 0.00 55.97 54.79 3mec s LYS 275 Cb -0.54 -1.72 0.00 0.00 -1.01 0.00 0.00 37.83 34.56 3mec s LYS 275 CO 0.53 0.47 0.60 1.33 0.51 0.00 0.00 175.35 178.79 3mec n VAL 276 N 2.50 0.34 -0.07 3.17 0.24 -1.26 -4.86 118.33 118.38 3mec n VAL 276 Ca -0.15 -0.39 -0.07 0.00 -2.04 0.00 0.00 64.34 61.68 3mec n VAL 276 Cb 0.52 0.97 -0.01 0.00 -1.47 0.00 0.00 33.84 33.85 3mec n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3mec h ARG 277 N 0.00 0.17 -0.22 7.34 2.43 -1.99 0.22 114.38 122.33 3mec h ARG 277 Ca 0.00 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 3mec h ARG 277 Cb 0.66 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3mec h ARG 277 CO 0.00 0.11 -0.54 1.96 -1.51 0.00 0.00 179.97 179.99 3mec h GLN 278 N 0.17 0.66 -0.53 0.20 1.08 -1.91 -2.27 115.11 112.50 3mec h GLN 278 Ca 0.13 -0.41 -0.08 0.00 -1.45 0.00 0.00 58.65 56.84 3mec h GLN 278 Cb 0.13 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 3mec h GLN 278 CO -0.16 1.03 0.03 -0.07 -0.95 0.00 0.00 178.83 178.70 3mec h LEU 279 N 0.50 0.90 -1.46 1.46 3.38 -1.82 -3.12 115.31 115.16 3mec h LEU 279 Ca 0.01 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 3mec h LEU 279 Cb 1.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3mec h LEU 279 CO 0.11 0.97 -0.19 0.00 0.09 0.00 0.00 178.44 179.43 3mec h LYS 281 N 0.12 0.00 -0.11 0.00 1.57 -1.35 -1.17 116.57 115.62 3mec h LYS 281 Ca 0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3mec h LYS 281 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3mec h LYS 281 CO 0.03 0.20 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.03 3mec h LEU 282 N 0.00 0.14 -0.09 2.94 4.07 -1.40 -2.45 115.31 118.52 3mec h LEU 282 Ca -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3mec h LEU 282 Cb 0.38 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.08 3mec h LEU 282 CO 0.03 0.18 -0.02 0.18 -1.08 0.00 0.00 178.44 177.72 3mec n LEU 283 N -4.43 0.17 -4.76 1.67 4.32 -0.45 -4.83 117.00 108.70 3mec n LEU 283 Ca -0.01 0.09 -0.41 0.00 -0.02 0.00 0.00 56.01 55.66 3mec n LEU 283 Cb 0.15 -0.15 -0.04 0.00 -1.62 0.00 0.00 43.42 41.76 3mec n LEU 283 CO 0.36 0.03 0.85 -0.13 -1.22 0.00 0.00 177.39 177.28 3mec s ARG 284 N -2.33 4.54 0.00 3.23 0.52 -0.93 -4.83 118.95 119.16 3mec s ARG 284 Ca 0.36 1.91 0.00 0.00 -0.52 0.00 0.00 55.73 57.48 3mec s ARG 284 Cb 0.21 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 32.50 3mec s ARG 284 CO 0.43 0.06 0.00 0.41 0.02 0.00 0.00 175.30 176.21 3mec n GLY 285 N 1.33 -0.66 2.67 -3.53 0.00 -1.26 -4.90 105.19 98.84 3mec n GLY 285 Ca 0.00 -2.18 -0.27 0.00 0.00 0.00 0.00 46.02 43.57 3mec n GLY 285 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3mec n THR 286 N 0.00 0.62 -4.41 2.61 5.66 -1.26 -5.09 114.28 112.41 3mec n THR 286 Ca 0.00 -4.37 -0.24 0.00 -3.05 0.00 0.00 64.05 56.39 3mec n THR 286 Cb 0.00 -1.99 -0.09 0.00 -1.55 0.00 0.00 70.33 66.70 3mec n THR 286 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 3mec s LYS 287 N -1.00 1.86 0.52 1.09 2.47 -1.26 -5.13 119.74 118.29 3mec s LYS 287 Ca 0.29 -1.62 -0.17 0.00 -1.56 0.00 0.00 55.97 52.91 3mec s LYS 287 Cb 0.01 -1.91 -0.07 0.00 -1.46 0.00 0.00 37.83 34.39 3mec s LYS 287 CO -0.17 0.35 0.99 0.00 0.16 0.00 0.00 175.35 176.69 3mec s ALA 288 N -2.34 3.02 0.35 3.13 0.00 -1.26 -4.96 121.76 119.70 3mec s ALA 288 Ca 0.29 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.52 3mec s ALA 288 Cb -0.06 -3.14 0.69 0.00 0.00 0.00 0.00 23.12 20.61 3mec s ALA 288 CO 0.16 -0.30 1.96 1.25 0.00 0.00 0.00 175.76 178.83 3mec h LEU 289 N 0.89 0.71 -0.30 0.00 5.85 -2.00 -1.62 115.31 118.84 3mec h LEU 289 Ca -0.47 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3mec h LEU 289 Cb 1.19 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3mec h LEU 289 CO 0.61 0.48 -0.03 0.35 -0.34 0.00 0.00 178.44 179.50 3mec n THR 290 N -4.47 0.00 -2.83 1.05 -2.24 -1.26 -1.33 114.28 103.21 3mec n THR 290 Ca 0.10 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.39 3mec n THR 290 Cb 0.18 -0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.23 3mec n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3mec s GLU 291 N -2.17 4.58 -0.02 -0.78 2.12 -0.61 -4.80 118.70 117.02 3mec s GLU 291 Ca 0.39 1.28 -0.29 0.00 0.36 0.00 0.00 54.97 56.71 3mec s GLU 291 Cb 0.21 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 3mec s GLU 291 CO 0.40 0.14 0.93 0.08 -0.54 0.00 0.00 175.26 176.27 3mec s VAL 292 N 0.37 4.90 -0.27 3.70 1.01 -1.26 -0.69 120.40 128.15 3mec s VAL 292 Ca 0.45 1.95 -0.00 0.00 0.00 0.00 0.00 61.98 64.38 3mec s VAL 292 Cb -0.21 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 31.94 3mec s VAL 292 CO 0.26 0.17 -0.06 -0.63 0.00 0.00 0.00 175.10 174.84 3mec s ILE 293 N 1.02 2.69 0.15 2.22 -1.09 0.12 -4.94 121.20 121.37 3mec s ILE 293 Ca 0.49 -1.32 -0.33 0.00 -2.23 0.00 0.00 60.65 57.27 3mec s ILE 293 Cb -0.20 -2.48 -0.12 0.00 -1.58 0.00 0.00 42.46 38.07 3mec s ILE 293 CO 0.26 0.04 1.72 -2.65 -1.23 0.00 0.00 174.94 173.07 3mec n PRO 294 N 4.59 2.53 -2.25 2.79 -0.02 -1.26 -4.40 135.00 136.98 3mec n PRO 294 Ca -0.15 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 61.82 3mec n PRO 294 Cb 0.44 -2.75 -0.03 0.00 -0.02 0.00 0.00 33.50 31.15 3mec n PRO 294 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mec s LEU 295 N 1.69 4.30 1.30 2.45 1.43 -1.26 -5.02 118.68 123.57 3mec s LEU 295 Ca 0.79 2.05 -0.18 0.00 -1.03 0.00 0.00 54.13 55.76 3mec s LEU 295 Cb -0.57 -3.56 0.32 0.00 0.03 0.00 0.00 46.19 42.41 3mec s LEU 295 CO 0.37 -0.73 0.82 0.35 0.23 0.00 0.00 176.35 177.39 3mec n THR 296 N 4.80 0.00 -0.04 5.49 -2.24 -1.26 -4.76 114.28 116.27 3mec n THR 296 Ca 0.13 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 3mec n THR 296 Cb 0.44 -0.93 -0.09 0.00 -2.10 0.00 0.00 70.33 67.65 3mec n THR 296 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3mec h GLU 297 N -3.09 0.29 -0.58 -0.78 4.57 -1.98 -1.36 114.58 111.65 3mec h GLU 297 Ca -0.51 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 57.46 3mec h GLU 297 Cb 1.30 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.89 3mec h GLU 297 CO 0.36 0.79 0.29 1.05 -1.18 0.00 0.00 179.01 180.32 3mec h GLU 298 N -0.17 0.83 -0.66 1.92 9.09 -1.98 -0.45 114.58 123.17 3mec h GLU 298 Ca 0.00 -0.12 0.00 0.00 0.05 0.00 0.00 59.36 59.29 3mec h GLU 298 Cb 0.79 -0.15 -0.03 0.00 -1.65 0.00 0.00 28.75 27.70 3mec h GLU 298 CO 0.04 0.67 0.41 0.00 0.05 0.00 0.00 179.01 180.18 3mec h ALA 299 N 1.12 1.49 -0.11 1.06 0.00 -1.80 0.23 119.26 121.25 3mec h ALA 299 Ca 0.20 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3mec h ALA 299 Cb 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3mec h ALA 299 CO -0.03 0.46 -0.59 1.49 0.00 0.00 0.00 179.25 180.58 3mec h GLU 300 N 0.90 0.36 -0.03 0.00 4.57 -0.61 -0.04 114.58 119.73 3mec h GLU 300 Ca 0.24 -0.24 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 3mec h GLU 300 Cb -0.06 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 3mec h GLU 300 CO -0.05 0.85 -0.18 -0.07 -1.18 0.00 0.00 179.01 178.38 3mec h LEU 301 N 0.27 0.22 -0.76 1.64 4.07 -0.54 -2.79 115.31 117.41 3mec h LEU 301 Ca -0.00 -0.67 0.15 0.00 0.08 0.00 0.00 57.88 57.43 3mec h LEU 301 Cb 1.11 -0.06 -0.10 0.00 1.08 0.00 0.00 40.66 42.69 3mec h LEU 301 CO 0.10 0.86 0.29 -0.08 -1.08 0.00 0.00 178.44 178.53 3mec h GLU 302 N -0.41 0.41 -0.75 1.13 4.81 -0.45 0.40 114.58 119.72 3mec h GLU 302 Ca -0.01 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3mec h GLU 302 Cb 0.86 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.09 3mec h GLU 302 CO 0.04 0.27 0.44 1.25 -0.73 0.00 0.00 179.01 180.28 3mec h LEU 303 N 0.42 0.68 0.13 1.64 6.46 -1.02 -1.34 115.31 122.28 3mec h LEU 303 Ca 0.42 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 58.20 3mec h LEU 303 Cb 0.66 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 3mec h LEU 303 CO -0.42 0.44 -0.06 0.00 -0.62 0.00 0.00 178.44 177.77 3mec h ALA 304 N 1.37 -0.18 -0.90 1.25 0.00 -0.30 -1.15 119.26 119.34 3mec h ALA 304 Ca 0.33 -0.15 0.23 0.00 0.00 0.00 0.00 54.91 55.32 3mec h ALA 304 Cb 0.17 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 17.90 3mec h ALA 304 CO -0.17 -0.47 0.40 1.49 0.00 0.00 0.00 179.25 180.49 3mec h GLU 305 N -0.44 0.38 -0.20 0.00 4.81 -0.08 0.18 114.58 119.23 3mec h GLU 305 Ca -0.02 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 3mec h GLU 305 Cb 0.35 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3mec h GLU 305 CO 0.03 0.25 -0.41 -0.91 -0.73 0.00 0.00 179.01 177.24 3mec h ASN 306 N 0.39 0.71 0.24 1.04 -0.26 -0.97 -2.79 115.58 113.94 3mec h ASN 306 Ca 0.57 -0.55 -0.03 0.00 -0.56 0.00 0.00 56.30 55.73 3mec h ASN 306 Cb 1.10 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 38.15 3mec h ASN 306 CO -0.54 1.13 -0.15 -0.09 -1.06 0.00 0.00 177.43 176.72 3mec h ARG 307 N 0.32 0.00 -0.05 0.81 9.65 -0.07 -0.89 114.38 124.15 3mec h ARG 307 Ca 0.01 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.74 3mec h ARG 307 Cb 1.01 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.58 3mec h ARG 307 CO 0.09 0.15 -0.61 1.49 2.80 0.00 0.00 179.97 183.89 3mec h GLU 308 N 0.00 0.17 0.00 0.20 4.57 -0.84 -2.96 114.58 115.72 3mec h GLU 308 Ca -0.00 -0.12 -0.13 0.00 -1.18 0.00 0.00 59.36 57.93 3mec h GLU 308 Cb 0.31 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 3mec h GLU 308 CO 0.02 0.73 -0.62 0.82 -1.18 0.00 0.00 179.01 178.77 3mec h ILE 309 N 0.12 1.16 0.00 2.32 2.04 -0.94 -3.34 117.51 118.87 3mec h ILE 309 Ca -0.01 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.46 3mec h ILE 309 Cb 1.11 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 39.60 3mec h ILE 309 CO 0.09 0.61 -0.86 -0.11 0.00 0.00 0.00 178.15 177.88 3mec n LEU 310 N -3.38 0.63 0.04 1.44 7.94 -0.59 -4.49 117.00 118.60 3mec n LEU 310 Ca 0.01 0.03 -0.11 0.00 -1.11 0.00 0.00 56.01 54.83 3mec n LEU 310 Cb 0.73 -0.13 -0.05 0.00 0.53 0.00 0.00 43.42 44.50 3mec n LEU 310 CO 0.42 0.04 0.78 0.11 -1.11 0.00 0.00 177.39 177.62 3mec h LYS 311 N 0.00 -0.19 -5.75 1.96 1.57 -1.65 -3.41 116.57 109.10 3mec h LYS 311 Ca 0.00 0.01 -0.67 0.00 -1.87 0.00 0.00 60.65 58.13 3mec h LYS 311 Cb 0.70 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.96 3mec h LYS 311 CO 0.00 -0.13 -0.52 -1.83 -0.57 0.00 0.00 179.45 176.41 3mec s GLU 312 N -6.15 3.32 0.68 3.15 1.03 -1.26 -5.08 118.70 114.38 3mec s GLU 312 Ca -0.14 -0.23 -0.17 0.00 0.03 0.00 0.00 54.97 54.46 3mec s GLU 312 Cb 0.09 -3.08 0.01 0.00 -0.80 0.00 0.00 34.13 30.35 3mec s GLU 312 CO 0.67 0.74 1.22 -1.25 -1.33 0.00 0.00 175.26 175.31 3mec s PRO 313 N -1.14 2.47 0.10 -4.83 0.04 -1.26 -5.06 135.00 125.31 3mec s PRO 313 Ca 0.16 1.81 0.05 0.00 0.04 0.00 0.00 61.00 63.07 3mec s PRO 313 Cb -0.12 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 3mec s PRO 313 CO 0.06 -1.60 -0.14 0.08 0.04 0.00 0.00 177.00 175.44 3mec s VAL 314 N -1.80 1.20 0.11 -0.36 1.01 -1.26 -5.17 120.40 114.14 3mec s VAL 314 Ca 0.76 -1.52 0.03 0.00 0.00 0.00 0.00 61.98 61.26 3mec s VAL 314 Cb -0.30 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 3mec s VAL 314 CO 0.41 -0.33 -0.09 -1.38 0.00 0.00 0.00 175.10 173.70 3mec s HIS 315 N -1.74 1.08 0.31 5.22 -3.43 -1.26 -4.75 115.29 110.72 3mec s HIS 315 Ca 0.03 -0.76 0.07 0.00 -0.80 0.00 0.00 55.06 53.60 3mec s HIS 315 Cb -0.07 -0.58 -0.02 0.00 -1.43 0.00 0.00 32.58 30.48 3mec s HIS 315 CO 0.02 -0.01 0.39 0.20 -2.00 0.00 0.00 174.74 173.35 3mec s GLY 316 N -2.84 1.57 0.49 -1.38 0.00 0.19 -4.75 107.32 100.60 3mec s GLY 316 Ca 0.11 -1.47 0.08 0.00 0.00 0.00 0.00 44.72 43.44 3mec s GLY 316 CO -0.01 -1.41 0.54 -1.34 0.00 0.00 0.00 173.10 170.88 3mec s VAL 317 N -2.17 2.32 0.68 1.40 -7.23 -0.80 -1.33 120.40 113.28 3mec s VAL 317 Ca 0.42 -1.22 0.01 0.00 -1.81 0.00 0.00 61.98 59.38 3mec s VAL 317 Cb -0.08 -2.54 0.11 0.00 0.56 0.00 0.00 36.38 34.43 3mec s VAL 317 CO 0.29 0.00 0.94 -0.31 -0.31 0.00 0.00 175.10 175.72 3mec s TYR 318 N -2.58 1.62 -0.04 2.82 2.02 -1.26 -4.49 117.35 115.44 3mec s TYR 318 Ca 0.50 -0.35 -0.18 0.00 -0.37 0.00 0.00 57.07 56.67 3mec s TYR 318 Cb -0.05 -2.83 -0.05 0.00 -0.40 0.00 0.00 41.96 38.63 3mec s TYR 318 CO 0.30 -1.56 0.50 -0.47 -1.57 0.00 0.00 175.55 172.75 3mec s TYR 319 N -3.03 3.63 -0.33 2.71 5.04 -0.33 -4.94 117.35 120.11 3mec s TYR 319 Ca 0.65 1.02 -0.04 0.00 -2.44 0.00 0.00 57.07 56.26 3mec s TYR 319 Cb -0.06 -2.50 0.05 0.00 0.35 0.00 0.00 41.96 39.81 3mec s TYR 319 CO 0.43 0.37 0.07 0.34 -1.34 0.00 0.00 175.55 175.42 3mec s ASP 320 N -0.14 5.14 0.00 4.32 3.68 -1.26 -4.54 116.67 123.86 3mec s ASP 320 Ca 0.27 -1.28 0.06 0.00 2.13 0.00 0.00 52.55 53.72 3mec s ASP 320 Cb -0.17 -1.80 0.26 0.00 -1.45 0.00 0.00 42.92 39.77 3mec s ASP 320 CO 0.13 -0.32 1.08 -2.65 0.13 0.00 0.00 175.17 173.54 3mec n PRO 321 N 4.71 0.05 0.00 4.34 -0.02 -1.26 -2.08 135.00 140.74 3mec n PRO 321 Ca -0.12 0.30 0.12 0.00 -2.02 0.00 0.00 63.50 61.78 3mec n PRO 321 Cb 0.44 -1.50 0.16 0.00 -0.02 0.00 0.00 33.50 32.58 3mec n PRO 321 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3mec n SER 322 N -1.36 2.57 -4.39 2.55 3.41 -1.26 -4.92 113.62 110.21 3mec n SER 322 Ca 0.02 -1.82 -0.27 0.00 -0.26 0.00 0.00 58.87 56.54 3mec n SER 322 Cb 0.05 0.07 -0.12 0.00 -0.26 0.00 0.00 64.21 63.95 3mec n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3mec s LYS 323 N -2.08 1.42 0.80 4.33 1.02 -0.88 -5.13 119.74 119.21 3mec s LYS 323 Ca 0.28 -1.41 -0.13 0.00 0.02 0.00 0.00 55.97 54.73 3mec s LYS 323 Cb 0.20 -1.78 0.08 0.00 -0.52 0.00 0.00 37.83 35.80 3mec s LYS 323 CO 0.35 0.40 1.17 -0.51 -0.92 0.00 0.00 175.35 175.84 3mec s ASP 324 N -2.36 3.83 -0.17 2.83 -0.00 -1.26 -4.94 116.67 114.60 3mec s ASP 324 Ca 0.16 2.22 -0.09 0.00 -0.00 0.00 0.00 52.55 54.85 3mec s ASP 324 Cb -0.09 -2.57 -0.05 0.00 -0.00 0.00 0.00 42.92 40.22 3mec s ASP 324 CO 0.08 -2.50 0.13 -0.76 -0.00 0.00 0.00 175.17 172.12 3mec s LEU 325 N -5.74 4.28 -0.15 1.23 1.43 -1.26 -4.50 118.68 113.97 3mec s LEU 325 Ca 0.70 0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 54.10 3mec s LEU 325 Cb -0.25 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 3mec s LEU 325 CO 0.51 0.28 -0.06 -0.63 0.23 0.00 0.00 176.35 176.67 3mec s ILE 326 N -0.22 3.69 -0.10 -0.59 -1.09 0.11 -0.32 121.20 122.68 3mec s ILE 326 Ca 0.11 -0.43 0.04 0.00 -2.23 0.00 0.00 60.65 58.14 3mec s ILE 326 Cb -0.11 -2.60 -0.00 0.00 -1.58 0.00 0.00 42.46 38.16 3mec s ILE 326 CO 0.01 0.50 -0.24 0.00 -1.23 0.00 0.00 174.94 173.98 3mec s ALA 327 N 0.34 2.19 -0.03 9.38 0.00 -0.14 -0.91 121.76 132.58 3mec s ALA 327 Ca -0.06 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.00 3mec s ALA 327 Cb -0.15 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 3mec s ALA 327 CO 0.04 0.30 -0.24 -1.21 0.00 0.00 0.00 175.76 174.64 3mec s GLU 328 N 0.31 2.25 -0.02 0.00 2.02 -0.60 0.03 118.70 122.69 3mec s GLU 328 Ca -0.18 -0.90 0.07 0.00 0.02 0.00 0.00 54.97 53.99 3mec s GLU 328 Cb -0.18 -2.11 -0.02 0.00 0.10 0.00 0.00 34.13 31.93 3mec s GLU 328 CO 0.09 0.53 -0.24 0.42 0.02 0.00 0.00 175.26 176.07 3mec s ILE 329 N -0.53 1.92 0.01 -1.63 1.01 -1.07 -1.59 121.20 119.32 3mec s ILE 329 Ca 0.07 -1.04 0.05 0.00 0.00 0.00 0.00 60.65 59.74 3mec s ILE 329 Cb -0.11 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.75 3mec s ILE 329 CO 0.00 0.54 -0.17 -1.10 0.00 0.00 0.00 174.94 174.22 3mec s GLN 330 N -0.54 1.23 0.06 2.79 1.11 0.13 -4.23 119.66 120.21 3mec s GLN 330 Ca 0.08 -0.70 -0.31 0.00 0.01 0.00 0.00 55.36 54.45 3mec s GLN 330 Cb -0.10 -1.24 -0.06 0.00 -1.01 0.00 0.00 33.01 30.60 3mec s GLN 330 CO -0.01 0.33 1.34 0.21 0.01 0.00 0.00 175.29 177.17 3mec s LYS 331 N -0.74 4.34 0.00 2.91 2.20 -1.26 -1.54 119.74 125.64 3mec s LYS 331 Ca 0.05 1.95 0.00 0.00 -0.36 0.00 0.00 55.97 57.61 3mec s LYS 331 Cb -0.07 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 3mec s LYS 331 CO 0.00 -0.44 0.00 0.94 -0.36 0.00 0.00 175.35 175.49 3mec n GLN 332 N 4.46 0.00 0.00 4.03 7.27 0.12 -4.58 117.38 128.68 3mec n GLN 332 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.18 3mec n GLN 332 Cb 0.44 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.09 3mec n GLN 332 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3mec n GLY 333 N 5.00 -1.66 3.47 1.69 0.00 -1.24 -4.89 105.19 107.56 3mec n GLY 333 Ca 0.00 -1.10 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 3mec n GLY 333 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mec s GLN 334 N 0.00 3.68 0.00 1.61 -1.52 -1.26 -4.05 119.66 118.12 3mec s GLN 334 Ca 0.00 -0.47 0.00 0.00 -1.95 0.00 0.00 55.36 52.94 3mec s GLN 334 Cb 0.00 -3.28 0.00 0.00 -0.22 0.00 0.00 33.01 29.51 3mec s GLN 334 CO 0.00 -0.11 0.00 0.41 -0.25 0.00 0.00 175.29 175.34 3mec n GLY 335 N 4.69 2.00 3.66 3.09 0.00 -1.26 -5.01 105.19 112.35 3mec n GLY 335 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 3mec n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mec s GLN 336 N -0.02 4.06 0.02 1.61 -0.21 -1.26 -4.13 119.66 119.73 3mec s GLN 336 Ca 0.00 -0.28 0.06 0.00 0.02 0.00 0.00 55.36 55.16 3mec s GLN 336 Cb 0.00 -3.44 -0.02 0.00 1.00 0.00 0.00 33.01 30.55 3mec s GLN 336 CO 0.00 0.14 -0.18 -1.58 -2.12 0.00 0.00 175.29 171.55 3mec s TRP 337 N 0.81 1.60 0.08 0.91 0.52 0.11 0.13 118.94 123.09 3mec s TRP 337 Ca 0.07 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 55.89 3mec s TRP 337 Cb -0.13 -0.98 -0.03 0.00 -1.15 0.00 0.00 33.47 31.18 3mec s TRP 337 CO 0.02 0.04 -0.12 -0.08 0.02 0.00 0.00 176.95 176.83 3mec s THR 338 N -0.67 0.95 0.07 2.01 -1.32 -0.59 -0.03 115.64 116.05 3mec s THR 338 Ca 0.06 -1.39 -0.13 0.00 -1.21 0.00 0.00 61.69 59.03 3mec s THR 338 Cb -0.08 -1.09 0.02 0.00 -1.51 0.00 0.00 72.50 69.84 3mec s THR 338 CO 0.01 -0.37 0.29 -0.72 -2.21 0.00 0.00 174.62 171.61 3mec s TYR 339 N -1.71 -0.05 0.04 9.09 1.13 -0.72 -0.69 117.35 124.44 3mec s TYR 339 Ca -0.01 -0.20 0.03 0.00 -1.41 0.00 0.00 57.07 55.48 3mec s TYR 339 Cb -0.07 0.08 -0.02 0.00 -1.10 0.00 0.00 41.96 40.84 3mec s TYR 339 CO 0.01 -0.55 -0.09 -0.65 -2.51 0.00 0.00 175.55 171.76 3mec s GLN 340 N -3.11 0.61 -0.08 -3.49 1.11 -0.62 -1.20 119.66 112.87 3mec s GLN 340 Ca -0.01 -0.69 0.03 0.00 0.01 0.00 0.00 55.36 54.70 3mec s GLN 340 Cb 0.01 -0.48 0.01 0.00 -1.01 0.00 0.00 33.01 31.54 3mec s GLN 340 CO -0.07 0.10 -0.16 0.42 0.01 0.00 0.00 175.29 175.60 3mec s ILE 341 N -1.08 1.44 0.18 1.08 1.01 -0.07 -1.55 121.20 122.21 3mec s ILE 341 Ca -0.05 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.86 3mec s ILE 341 Cb -0.08 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 3mec s ILE 341 CO 0.01 0.42 0.28 -0.72 0.00 0.00 0.00 174.94 174.94 3mec s TYR 342 N 0.64 0.50 -0.05 3.97 -0.85 -0.09 -0.26 117.35 121.21 3mec s TYR 342 Ca -0.14 -0.85 0.04 0.00 -0.52 0.00 0.00 57.07 55.60 3mec s TYR 342 Cb -0.16 -0.10 -0.05 0.00 0.38 0.00 0.00 41.96 42.03 3mec s TYR 342 CO 0.04 -0.74 0.01 1.04 -1.52 0.00 0.00 175.55 174.37 3mec n GLN 343 N -0.24 2.78 -4.35 -3.49 6.02 -1.26 0.07 117.38 116.91 3mec n GLN 343 Ca -0.05 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.65 3mec n GLN 343 Cb 0.63 -1.12 -0.17 0.00 1.02 0.00 0.00 30.24 30.61 3mec n GLN 343 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3mec s GLU 344 N -2.11 2.33 0.23 -1.09 2.56 -1.26 -4.89 118.70 114.46 3mec s GLU 344 Ca -0.03 -0.59 -0.30 0.00 0.00 0.00 0.00 54.97 54.05 3mec s GLU 344 Cb 0.01 -2.01 -0.10 0.00 2.00 0.00 0.00 34.13 34.04 3mec s GLU 344 CO 0.18 -0.11 1.40 -1.25 -0.56 0.00 0.00 175.26 174.92 3mec s PRO 345 N 1.11 4.30 -0.65 4.30 0.04 -1.26 0.75 135.00 143.60 3mec s PRO 345 Ca -0.03 2.22 0.04 0.00 0.04 0.00 0.00 61.00 63.27 3mec s PRO 345 Cb -0.14 -3.14 0.35 0.00 0.04 0.00 0.00 34.50 31.60 3mec s PRO 345 CO -0.04 -0.37 1.15 1.19 0.04 0.00 0.00 177.00 178.96 3mec n PHE 346 N 2.49 3.74 -2.89 0.56 3.01 -1.26 -5.09 117.46 118.03 3mec n PHE 346 Ca 0.07 -3.61 -0.44 0.00 1.01 0.00 0.00 57.45 54.48 3mec n PHE 346 Cb 0.41 -0.59 -0.02 0.00 -0.01 0.00 0.00 39.48 39.27 3mec n PHE 346 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3mec s LYS 347 N -3.65 3.67 0.15 -1.08 -0.14 0.23 -5.00 119.74 113.92 3mec s LYS 347 Ca 0.47 -1.80 -0.31 0.00 -1.36 0.00 0.00 55.97 52.96 3mec s LYS 347 Cb 0.28 -4.99 -0.10 0.00 -1.68 0.00 0.00 37.83 31.34 3mec s LYS 347 CO -0.15 -1.82 1.63 -0.80 -0.76 0.00 0.00 175.35 173.44 3mec s ASN 348 N 3.68 6.54 0.20 2.83 0.01 -1.26 -4.28 114.94 122.67 3mec s ASN 348 Ca 0.36 2.64 -0.02 0.00 -0.71 0.00 0.00 52.86 55.13 3mec s ASN 348 Cb -0.04 -2.59 0.14 0.00 0.41 0.00 0.00 41.25 39.17 3mec s ASN 348 CO -0.08 -0.87 1.53 -0.07 -1.51 0.00 0.00 177.10 176.09 3mec h LEU 349 N 7.25 0.60 -7.86 0.60 4.07 -0.85 -2.14 115.31 116.99 3mec h LEU 349 Ca -0.43 -0.31 0.15 0.00 0.08 0.00 0.00 57.88 57.37 3mec h LEU 349 Cb 1.20 -0.17 -0.05 0.00 1.08 0.00 0.00 40.66 42.73 3mec h LEU 349 CO 0.93 1.01 0.52 -1.59 -1.08 0.00 0.00 178.44 178.23 3mec s LYS 350 N -4.04 1.37 0.39 1.13 -2.85 -1.18 -4.42 119.74 110.14 3mec s LYS 350 Ca -0.07 -0.84 0.04 0.00 -1.00 0.00 0.00 55.97 54.09 3mec s LYS 350 Cb 0.12 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 36.26 3mec s LYS 350 CO 0.84 -0.64 0.13 0.95 0.10 0.00 0.00 175.35 176.73 3mec s THR 351 N -2.55 0.61 0.13 3.79 -4.23 0.94 -0.89 115.64 113.43 3mec s THR 351 Ca 0.18 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.44 3mec s THR 351 Cb -0.02 -2.41 0.08 0.00 1.34 0.00 0.00 72.50 71.48 3mec s THR 351 CO 0.05 0.00 1.07 -0.83 -0.54 0.00 0.00 174.62 174.37 3mec s GLY 352 N -3.56 -0.12 0.11 3.99 0.00 -0.34 -4.23 107.32 103.17 3mec s GLY 352 Ca 0.27 0.03 0.09 0.00 0.00 0.00 0.00 44.72 45.11 3mec s GLY 352 CO 0.15 1.35 -0.21 0.54 0.00 0.00 0.00 173.10 174.94 3mec s LYS 353 N -2.61 1.71 -0.02 2.90 1.02 -1.26 -1.75 119.74 119.72 3mec s LYS 353 Ca 0.18 -1.20 0.01 0.00 0.02 0.00 0.00 55.97 54.97 3mec s LYS 353 Cb -0.01 -2.06 0.02 0.00 -0.52 0.00 0.00 37.83 35.27 3mec s LYS 353 CO 0.02 0.48 -0.02 -0.47 -0.92 0.00 0.00 175.35 174.44 3mec s TYR 354 N -1.08 0.39 0.00 3.18 5.04 0.95 -4.97 117.35 120.86 3mec s TYR 354 Ca 0.16 -0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.74 3mec s TYR 354 Cb -0.10 -0.40 0.00 0.00 0.35 0.00 0.00 41.96 41.81 3mec s TYR 354 CO 0.08 -0.10 0.00 0.00 -1.34 0.00 0.00 175.55 174.19 3mec n ALA 355 N 3.80 0.00 -1.72 3.97 0.00 -1.26 0.07 120.51 125.38 3mec n ALA 355 Ca -0.23 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.81 3mec n ALA 355 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.00 3mec n ALA 355 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3mec n ARG 356 N 0.00 1.89 -3.76 0.00 0.63 -1.26 -4.80 116.66 109.36 3mec n ARG 356 Ca 0.00 0.68 -0.37 0.00 -0.92 0.00 0.00 57.85 57.24 3mec n ARG 356 Cb 0.14 -2.46 -0.13 0.00 0.45 0.00 0.00 32.46 30.46 3mec n ARG 356 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3mec s MET 357 N -2.44 3.23 -0.73 -0.14 0.23 -1.26 -5.04 119.30 113.16 3mec s MET 357 Ca 0.64 -0.76 -0.17 0.00 -1.03 0.00 0.00 55.69 54.37 3mec s MET 357 Cb -0.47 -3.35 0.14 0.00 -1.53 0.00 0.00 34.83 29.62 3mec s MET 357 CO 0.55 -0.38 0.80 1.03 -2.03 0.00 0.00 175.02 174.99 3mec s ARG 358 N 1.53 3.31 0.00 3.16 0.52 -1.26 -4.93 118.95 121.28 3mec s ARG 358 Ca 0.04 -1.76 0.00 0.00 -0.52 0.00 0.00 55.73 53.49 3mec s ARG 358 Cb -0.17 -4.45 0.00 0.00 0.52 0.00 0.00 34.95 30.85 3mec s ARG 358 CO 0.03 -1.51 0.00 0.41 0.02 0.00 0.00 175.30 174.25 3mec n GLY 359 N 4.96 -1.67 0.10 -3.53 0.00 -1.26 -4.71 105.19 99.09 3mec n GLY 359 Ca 0.04 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.79 3mec n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mec n ALA 360 N -0.06 1.33 -3.52 4.61 0.00 -1.26 -4.92 120.51 116.68 3mec n ALA 360 Ca 0.00 -0.84 -0.30 0.00 0.00 0.00 0.00 53.44 52.30 3mec n ALA 360 Cb 0.00 -0.63 -0.17 0.00 0.00 0.00 0.00 19.45 18.65 3mec n ALA 360 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3mec s HIS 361 N -2.56 2.28 0.30 0.00 3.76 -1.26 -2.29 115.29 115.51 3mec s HIS 361 Ca -0.13 -1.04 -0.02 0.00 -0.15 0.00 0.00 55.06 53.72 3mec s HIS 361 Cb 0.07 -1.58 -0.01 0.00 1.11 0.00 0.00 32.58 32.17 3mec s HIS 361 CO 0.79 -0.48 0.38 0.95 -0.85 0.00 0.00 174.74 175.53 3mec s THR 362 N 0.72 0.00 0.35 1.30 -4.23 -0.86 -4.96 115.64 107.97 3mec s THR 362 Ca -0.11 -1.71 0.04 0.00 -1.18 0.00 0.00 61.69 58.73 3mec s THR 362 Cb -0.16 -2.52 -0.06 0.00 1.34 0.00 0.00 72.50 71.10 3mec s THR 362 CO 0.02 0.00 0.06 0.54 -0.54 0.00 0.00 174.62 174.69 3mec s ASN 363 N -3.21 2.71 0.33 3.99 2.20 -1.26 -1.47 114.94 118.23 3mec s ASN 363 Ca 0.32 -1.42 0.02 0.00 -0.94 0.00 0.00 52.86 50.84 3mec s ASN 363 Cb 0.01 -0.03 0.58 0.00 -2.00 0.00 0.00 41.25 39.81 3mec s ASN 363 CO 0.18 -0.63 1.94 0.44 -2.94 0.00 0.00 177.10 176.09 3mec h ASP 364 N 1.99 0.69 -0.74 3.54 3.32 -1.95 -2.43 116.42 120.86 3mec h ASP 364 Ca -0.41 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.55 3mec h ASP 364 Cb 1.25 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 3mec h ASP 364 CO 0.70 0.59 0.32 0.58 -1.72 0.00 0.00 179.24 179.71 3mec h VAL 365 N 0.78 1.25 -0.43 -1.35 2.07 -1.94 0.55 116.25 117.17 3mec h VAL 365 Ca 0.20 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 3mec h VAL 365 Cb 0.07 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 3mec h VAL 365 CO -0.03 0.30 -0.01 0.50 0.02 0.00 0.00 177.57 178.36 3mec h LYS 366 N 1.05 0.76 -0.34 1.57 3.64 -1.88 -2.15 116.57 119.21 3mec h LYS 366 Ca 0.25 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3mec h LYS 366 Cb 0.17 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3mec h LYS 366 CO -0.03 0.84 0.04 1.96 -2.27 0.00 0.00 179.45 179.99 3mec h GLN 367 N 0.59 0.57 -0.80 1.90 4.20 -1.17 -1.41 115.11 118.99 3mec h GLN 367 Ca 0.12 -0.16 0.07 0.00 0.06 0.00 0.00 58.65 58.74 3mec h GLN 367 Cb 0.50 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.16 3mec h GLN 367 CO 0.02 0.67 0.47 1.25 -0.67 0.00 0.00 178.83 180.58 3mec h LEU 368 N 0.39 0.71 -0.68 1.46 5.85 -0.81 0.13 115.31 122.37 3mec h LEU 368 Ca 0.10 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 3mec h LEU 368 Cb 0.39 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3mec h LEU 368 CO 0.01 0.44 0.21 0.74 -0.34 0.00 0.00 178.44 179.50 3mec h THR 369 N 0.84 1.25 -0.61 1.05 2.02 -1.10 -0.22 112.91 116.14 3mec h THR 369 Ca 0.36 -0.87 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 3mec h THR 369 Cb 0.24 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3mec h THR 369 CO -0.20 0.34 0.24 -0.33 0.37 0.00 0.00 175.52 175.94 3mec h GLU 370 N 0.99 0.92 -0.71 6.66 5.08 -0.45 -0.48 114.58 126.60 3mec h GLU 370 Ca 0.22 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3mec h GLU 370 Cb 0.30 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3mec h GLU 370 CO -0.01 0.79 0.43 0.00 -1.00 0.00 0.00 179.01 179.23 3mec h ALA 371 N 1.09 0.90 -0.69 3.43 0.00 -0.65 0.39 119.26 123.73 3mec h ALA 371 Ca 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3mec h ALA 371 Cb 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3mec h ALA 371 CO -0.02 0.36 0.41 0.28 0.00 0.00 0.00 179.25 180.29 3mec h VAL 372 N 0.96 1.19 -0.26 0.00 2.07 -0.54 -0.45 116.25 119.22 3mec h VAL 372 Ca 0.25 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 3mec h VAL 372 Cb -0.05 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 3mec h VAL 372 CO -0.05 0.20 -0.07 1.56 0.02 0.00 0.00 177.57 179.23 3mec h GLN 373 N 0.94 0.51 -0.75 1.57 1.08 -0.15 -1.14 115.11 117.18 3mec h GLN 373 Ca 0.25 -0.20 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 3mec h GLN 373 Cb -0.04 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 3mec h GLN 373 CO -0.05 0.73 0.28 -0.22 -0.95 0.00 0.00 178.83 178.62 3mec h LYS 374 N 0.25 1.12 -0.09 1.46 3.64 -0.49 -2.44 116.57 120.03 3mec h LYS 374 Ca 0.06 -0.20 -0.13 0.00 -1.27 0.00 0.00 60.65 59.11 3mec h LYS 374 Cb 0.54 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3mec h LYS 374 CO 0.03 0.91 -0.53 0.82 -2.27 0.00 0.00 179.45 178.41 3mec h ILE 375 N 1.09 1.36 -0.47 2.00 2.04 -1.01 -2.14 117.51 120.38 3mec h ILE 375 Ca 0.25 -1.80 -0.06 0.00 1.00 0.00 0.00 64.86 64.25 3mec h ILE 375 Cb 0.22 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 3mec h ILE 375 CO -0.02 0.53 0.06 0.74 0.00 0.00 0.00 178.15 179.46 3mec h THR 376 N 0.19 1.25 -0.48 -0.27 2.02 -0.86 -1.59 112.91 113.17 3mec h THR 376 Ca 0.00 -0.95 -0.09 0.00 0.77 0.00 0.00 66.41 66.14 3mec h THR 376 Cb 0.99 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 3mec h THR 376 CO 0.08 0.33 -0.06 0.74 0.37 0.00 0.00 175.52 176.98 3mec h THR 377 N 0.65 1.27 -0.90 3.16 2.02 -1.35 -1.02 112.91 116.74 3mec h THR 377 Ca 0.14 -1.17 0.05 0.00 0.77 0.00 0.00 66.41 66.20 3mec h THR 377 Cb 0.42 1.06 -0.06 0.00 -1.74 0.00 0.00 68.15 67.83 3mec h THR 377 CO 0.01 0.40 0.57 -0.08 0.37 0.00 0.00 175.52 176.80 3mec h GLU 378 N 0.73 1.04 -0.48 6.66 4.81 -1.31 -1.84 114.58 124.19 3mec h GLU 378 Ca 0.13 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 3mec h GLU 378 Cb 0.60 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3mec h GLU 378 CO 0.04 0.69 -0.23 0.77 -0.73 0.00 0.00 179.01 179.55 3mec h SER 379 N 1.07 1.03 -0.38 1.04 0.02 -0.84 -0.34 113.55 115.15 3mec h SER 379 Ca 0.38 -0.40 0.05 0.00 -0.84 0.00 0.00 61.79 60.98 3mec h SER 379 Cb 0.12 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 3mec h SER 379 CO -0.16 1.20 0.12 0.40 -1.14 0.00 0.00 176.83 177.26 3mec h ILE 380 N 0.85 0.88 -0.19 3.27 1.08 -0.75 0.29 117.51 122.93 3mec h ILE 380 Ca 0.11 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.47 3mec h ILE 380 Cb 0.81 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 3mec h ILE 380 CO 0.07 0.05 0.07 0.58 -0.69 0.00 0.00 178.15 178.23 3mec h VAL 381 N 0.27 1.17 0.20 1.67 2.07 -1.11 0.31 116.25 120.84 3mec h VAL 381 Ca 0.17 -0.53 -0.32 0.00 0.82 0.00 0.00 66.70 66.84 3mec h VAL 381 Cb 0.16 1.16 0.03 0.00 -1.52 0.00 0.00 31.29 31.12 3mec h VAL 381 CO -0.18 0.17 -1.39 0.40 0.02 0.00 0.00 177.57 176.59 3mec h ILE 382 N 0.15 1.29 0.00 4.57 2.04 -0.87 -3.40 117.51 121.30 3mec h ILE 382 Ca 0.06 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 63.29 3mec h ILE 382 Cb 0.20 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 3mec h ILE 382 CO -0.00 0.79 -0.34 0.79 0.00 0.00 0.00 178.15 179.39 3mec n TRP 383 N -3.73 0.00 -1.00 1.37 8.01 0.05 -4.65 117.44 117.49 3mec n TRP 383 Ca -0.15 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.04 3mec n TRP 383 Cb 1.06 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 30.36 3mec n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3mec n GLY 384 N 1.46 0.48 3.47 6.99 0.00 0.10 -5.01 105.19 112.68 3mec n GLY 384 Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 3mec n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mec s LYS 385 N -0.28 1.34 0.21 1.61 -2.85 -1.25 -4.93 119.74 113.58 3mec s LYS 385 Ca 0.00 -1.11 -0.14 0.00 -1.00 0.00 0.00 55.97 53.72 3mec s LYS 385 Cb 0.00 0.45 -0.08 0.00 -2.06 0.00 0.00 37.83 36.14 3mec s LYS 385 CO 0.00 -0.54 0.61 0.95 0.10 0.00 0.00 175.35 176.47 3mec s THR 386 N -3.96 4.79 0.62 3.79 -4.23 -1.26 -3.76 115.64 111.64 3mec s THR 386 Ca 0.16 0.86 -0.11 0.00 -1.18 0.00 0.00 61.69 61.43 3mec s THR 386 Cb 0.01 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 3mec s THR 386 CO 0.02 0.10 1.03 -2.16 -0.54 0.00 0.00 174.62 173.07 3mec s PRO 387 N -2.30 3.53 0.01 3.99 0.04 -1.26 -4.76 135.00 134.24 3mec s PRO 387 Ca 0.43 0.71 -0.29 0.00 0.04 0.00 0.00 61.00 61.89 3mec s PRO 387 Cb -0.14 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 3mec s PRO 387 CO 0.20 -0.60 0.95 0.15 0.04 0.00 0.00 177.00 177.73 3mec s LYS 388 N -5.18 4.56 0.21 4.56 1.02 0.57 -4.80 119.74 120.67 3mec s LYS 388 Ca 0.55 1.37 -0.05 0.00 0.02 0.00 0.00 55.97 57.86 3mec s LYS 388 Cb -0.11 -3.45 -0.05 0.00 -0.52 0.00 0.00 37.83 33.70 3mec s LYS 388 CO 0.54 -0.01 0.46 -0.06 -0.92 0.00 0.00 175.35 175.35 3mec s PHE 389 N 0.87 3.47 -0.13 3.18 0.40 -0.74 -0.97 117.98 124.06 3mec s PHE 389 Ca 0.50 0.59 -0.00 0.00 -0.60 0.00 0.00 56.93 57.42 3mec s PHE 389 Cb -0.21 -2.05 0.03 0.00 0.51 0.00 0.00 43.02 41.31 3mec s PHE 389 CO 0.27 0.33 -0.07 0.15 0.70 0.00 0.00 175.22 176.59 3mec s LYS 390 N -3.05 1.57 -0.03 0.44 1.02 0.10 -1.55 119.74 118.24 3mec s LYS 390 Ca 0.42 -0.37 0.04 0.00 0.02 0.00 0.00 55.97 56.08 3mec s LYS 390 Cb -0.11 -1.78 -0.01 0.00 -0.52 0.00 0.00 37.83 35.41 3mec s LYS 390 CO 0.26 -0.32 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.70 3mec s LEU 391 N 1.66 1.94 -0.01 3.17 1.43 -0.11 -2.61 118.68 124.16 3mec s LEU 391 Ca 0.04 -0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 3mec s LEU 391 Cb -0.13 -0.89 -0.26 0.00 0.03 0.00 0.00 46.19 44.93 3mec s LEU 391 CO -0.08 0.16 3.57 -0.81 0.23 0.00 0.00 176.35 179.42 3mec n PRO 392 N 2.99 1.97 -3.85 1.29 -0.04 -1.25 -1.03 135.00 135.08 3mec n PRO 392 Ca -0.17 -0.99 -0.12 0.00 -0.04 0.00 0.00 63.50 62.18 3mec n PRO 392 Cb 0.54 -1.99 -0.14 0.00 -0.04 0.00 0.00 33.50 31.87 3mec n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3mec s ILE 393 N 1.04 -0.00 0.38 0.52 2.07 -1.26 -0.85 121.20 123.09 3mec s ILE 393 Ca 0.66 0.01 -0.25 0.00 -1.41 0.00 0.00 60.65 59.66 3mec s ILE 393 Cb 0.31 -0.09 -0.09 0.00 0.13 0.00 0.00 42.46 42.73 3mec s ILE 393 CO -0.00 0.01 1.09 -1.10 -1.91 0.00 0.00 174.94 173.03 3mec s GLN 394 N 0.11 4.20 0.29 3.50 -1.52 -1.26 -4.49 119.66 120.48 3mec s GLN 394 Ca -0.01 1.66 0.03 0.00 -1.95 0.00 0.00 55.36 55.09 3mec s GLN 394 Cb -0.01 -2.68 0.63 0.00 -0.22 0.00 0.00 33.01 30.72 3mec s GLN 394 CO -0.00 -0.14 1.81 0.87 -0.25 0.00 0.00 175.29 177.58 3mec h LYS 395 N 2.75 0.88 -0.21 2.91 1.79 -1.98 -1.73 116.57 120.98 3mec h LYS 395 Ca -0.48 -0.05 -0.11 0.00 -2.18 0.00 0.00 60.65 57.82 3mec h LYS 395 Cb 1.22 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.66 3mec h LYS 395 CO 0.63 0.59 -0.35 1.49 -1.08 0.00 0.00 179.45 180.73 3mec h GLU 396 N 0.91 0.46 -0.10 3.15 4.81 -1.99 -1.65 114.58 120.17 3mec h GLU 396 Ca 0.53 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 3mec h GLU 396 Cb 0.65 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 3mec h GLU 396 CO -0.31 0.75 -0.01 1.15 -0.73 0.00 0.00 179.01 179.85 3mec h THR 397 N 0.39 1.28 -0.25 0.32 2.02 -1.73 -1.91 112.91 113.02 3mec h THR 397 Ca 0.04 -0.89 0.02 0.00 0.77 0.00 0.00 66.41 66.35 3mec h THR 397 Cb 0.80 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 3mec h THR 397 CO 0.06 0.25 0.12 -0.25 0.37 0.00 0.00 175.52 176.08 3mec h TRP 398 N -0.12 0.23 0.00 3.16 2.91 -1.11 -1.56 115.95 119.46 3mec h TRP 398 Ca 0.03 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.00 3mec h TRP 398 Cb 0.40 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 28.98 3mec h TRP 398 CO 0.04 0.12 -0.28 1.05 -1.03 0.00 0.00 178.44 178.35 3mec h GLU 399 N 0.26 0.00 -0.45 2.65 4.11 -1.34 -0.24 114.58 119.57 3mec h GLU 399 Ca 0.11 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.42 3mec h GLU 399 Cb 0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3mec h GLU 399 CO -0.08 0.28 -0.19 1.15 0.07 0.00 0.00 179.01 180.24 3mec h THR 400 N 0.00 1.27 -0.01 -1.06 2.02 -0.95 -2.82 112.91 111.36 3mec h THR 400 Ca -0.00 -1.32 -0.00 0.00 0.77 0.00 0.00 66.41 65.86 3mec h THR 400 Cb 0.91 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 3mec h THR 400 CO 0.04 0.45 -0.01 -0.25 0.37 0.00 0.00 175.52 176.11 3mec h TRP 401 N 0.77 0.03 -0.46 3.16 2.91 -0.73 -3.13 115.95 118.48 3mec h TRP 401 Ca 0.11 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.16 3mec h TRP 401 Cb 0.72 -0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.33 3mec h TRP 401 CO 0.04 0.59 0.22 2.35 -1.03 0.00 0.00 178.44 180.62 3mec h TRP 402 N -0.55 0.41 0.05 2.65 7.01 -1.12 -1.45 115.95 122.96 3mec h TRP 402 Ca 0.00 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 3mec h TRP 402 Cb 0.59 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.53 3mec h TRP 402 CO 0.13 0.20 -0.03 1.79 -2.79 0.00 0.00 178.44 177.74 3mec h THR 403 N 0.45 1.10 0.00 2.65 1.35 -1.62 -3.17 112.91 113.66 3mec h THR 403 Ca 0.20 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 3mec h THR 403 Cb 0.12 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3mec h THR 403 CO -0.15 0.12 0.00 -1.84 -0.25 0.00 0.00 175.52 173.40 3mec n GLU 404 N -5.02 0.14 -3.27 4.72 0.28 -1.09 -4.78 120.64 111.62 3mec n GLU 404 Ca -0.08 0.20 -0.32 0.00 -0.16 0.00 0.00 57.16 56.80 3mec n GLU 404 Cb 0.15 -1.69 -0.06 0.00 1.43 0.00 0.00 31.44 31.27 3mec n GLU 404 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3mec s TYR 405 N -3.10 3.40 -1.96 -1.84 5.04 -0.57 -4.99 117.35 113.32 3mec s TYR 405 Ca 0.10 1.05 0.26 0.00 -2.44 0.00 0.00 57.07 56.04 3mec s TYR 405 Cb 0.13 -2.40 0.69 0.00 0.35 0.00 0.00 41.96 40.73 3mec s TYR 405 CO 0.49 0.18 1.53 -2.67 -1.34 0.00 0.00 175.55 173.74 3mec n TRP 406 N -0.25 0.00 -3.72 4.97 4.27 -1.26 -4.83 117.44 116.62 3mec n TRP 406 Ca 0.02 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.30 3mec n TRP 406 Cb 0.53 -0.08 -0.05 0.00 -1.36 0.00 0.00 31.31 30.35 3mec n TRP 406 CO 0.00 0.00 0.00 -0.65 -2.29 0.00 0.00 177.69 174.75 3mec s GLN 407 N -2.39 3.60 0.29 -2.67 -1.52 -1.26 -5.08 119.66 110.63 3mec s GLN 407 Ca 0.26 -0.10 -0.29 0.00 -1.95 0.00 0.00 55.36 53.28 3mec s GLN 407 Cb 0.19 -2.95 -0.09 0.00 -0.22 0.00 0.00 33.01 29.94 3mec s GLN 407 CO 0.49 0.54 1.09 0.00 -0.25 0.00 0.00 175.29 177.16 3mec s ALA 408 N -1.52 3.38 0.30 6.09 0.00 -1.26 -5.03 121.76 123.73 3mec s ALA 408 Ca 0.36 0.88 -0.10 0.00 0.00 0.00 0.00 51.96 53.10 3mec s ALA 408 Cb -0.13 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.68 3mec s ALA 408 CO 0.22 -0.16 0.52 -0.08 0.00 0.00 0.00 175.76 176.27 3mec s THR 409 N -1.20 0.00 -0.30 0.00 -1.32 -1.26 -5.17 115.64 106.39 3mec s THR 409 Ca 0.45 -1.41 -0.19 0.00 -1.21 0.00 0.00 61.69 59.33 3mec s THR 409 Cb -0.31 -2.44 0.19 0.00 -1.51 0.00 0.00 72.50 68.42 3mec s THR 409 CO 0.40 0.00 1.24 0.86 -2.21 0.00 0.00 174.62 174.91 3mec s TRP 410 N -3.45 -0.18 0.01 9.09 -0.11 -1.26 -5.13 118.94 117.91 3mec s TRP 410 Ca 0.24 0.39 0.07 0.00 1.22 0.00 0.00 56.10 58.02 3mec s TRP 410 Cb -0.01 0.23 -0.02 0.00 -1.50 0.00 0.00 33.47 32.17 3mec s TRP 410 CO 0.13 -0.09 -0.22 0.96 -4.62 0.00 0.00 176.95 173.11 3mec s ILE 411 N 0.76 1.77 1.29 5.86 -4.36 -1.26 -5.02 121.20 120.24 3mec s ILE 411 Ca -0.03 -1.09 -0.18 0.00 -0.26 0.00 0.00 60.65 59.08 3mec s ILE 411 Cb -0.03 -1.50 0.30 0.00 1.25 0.00 0.00 42.46 42.48 3mec s ILE 411 CO -0.12 0.38 0.78 -0.81 0.24 0.00 0.00 174.94 175.41 3mec n PRO 412 N 2.20 -3.38 -1.54 0.37 -0.04 -1.26 -4.80 135.00 126.55 3mec n PRO 412 Ca -0.16 -0.98 -0.60 0.00 -0.04 0.00 0.00 63.50 61.71 3mec n PRO 412 Cb 0.53 -1.95 -0.09 0.00 -0.04 0.00 0.00 33.50 31.95 3mec n PRO 412 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3mec n GLU 413 N -4.71 0.00 -4.00 0.54 2.13 -1.26 -4.80 120.64 108.54 3mec n GLU 413 Ca 0.07 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.79 3mec n GLU 413 Cb 0.56 -1.36 -0.08 0.00 0.27 0.00 0.00 31.44 30.83 3mec n GLU 413 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 3mec s TRP 414 N 2.21 0.46 0.05 4.31 1.48 -1.26 -1.79 118.94 124.40 3mec s TRP 414 Ca 0.93 -0.87 0.04 0.00 -1.06 0.00 0.00 56.10 55.13 3mec s TRP 414 Cb -1.32 -0.20 -0.02 0.00 -1.16 0.00 0.00 33.47 30.77 3mec s TRP 414 CO 0.70 -0.59 -0.11 -1.21 -4.06 0.00 0.00 176.95 171.68 3mec s GLU 415 N -3.96 0.69 0.29 3.25 2.02 -0.60 -4.96 118.70 115.44 3mec s GLU 415 Ca 0.15 -0.81 -0.29 0.00 0.02 0.00 0.00 54.97 54.03 3mec s GLU 415 Cb 0.05 -0.60 -0.10 0.00 0.10 0.00 0.00 34.13 33.58 3mec s GLU 415 CO -0.03 0.13 1.24 0.12 0.02 0.00 0.00 175.26 176.74 3mec s PHE 416 N -1.21 3.25 -0.03 1.61 5.36 -1.26 -0.94 117.98 124.76 3mec s PHE 416 Ca -0.05 1.47 0.01 0.00 -0.96 0.00 0.00 56.93 57.40 3mec s PHE 416 Cb -0.09 -3.54 0.02 0.00 -0.34 0.00 0.00 43.02 39.06 3mec s PHE 416 CO 0.01 -1.45 -0.04 0.54 -1.46 0.00 0.00 175.22 172.82 3mec s VAL 417 N -0.91 0.45 -1.27 3.12 0.11 -0.20 -4.77 120.40 116.92 3mec s VAL 417 Ca 0.49 -0.10 -0.16 0.00 -2.93 0.00 0.00 61.98 59.27 3mec s VAL 417 Cb -0.37 -0.48 0.11 0.00 -1.53 0.00 0.00 36.38 34.11 3mec s VAL 417 CO 0.47 0.19 1.64 -3.20 -3.33 0.00 0.00 175.10 170.86 3mec n ASN 418 N 3.89 5.04 -3.88 3.54 2.85 -1.26 -3.86 115.26 121.57 3mec n ASN 418 Ca -0.24 -2.94 -0.30 0.00 -0.11 0.00 0.00 54.58 50.99 3mec n ASN 418 Cb 0.52 -1.68 -0.13 0.00 1.24 0.00 0.00 39.78 39.72 3mec n ASN 418 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3mec s THR 419 N 3.25 2.33 0.78 -0.44 2.01 -1.26 -5.11 115.64 117.20 3mec s THR 419 Ca 0.50 -3.27 -0.13 0.00 0.31 0.00 0.00 61.69 59.10 3mec s THR 419 Cb 0.02 -2.61 0.07 0.00 0.01 0.00 0.00 72.50 69.99 3mec s THR 419 CO 0.05 -0.85 1.18 -2.16 -0.69 0.00 0.00 174.62 172.15 3mec s PRO 420 N -0.30 1.88 0.25 4.92 0.04 -1.26 -4.41 135.00 136.12 3mec s PRO 420 Ca 0.18 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 3mec s PRO 420 Cb -0.22 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 3mec s PRO 420 CO -0.02 -2.01 1.25 -1.25 0.04 0.00 0.00 177.00 175.00 3mec s PRO 421 N -4.18 4.45 0.31 0.56 0.04 -1.26 -4.92 135.00 129.99 3mec s PRO 421 Ca 0.71 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 63.51 3mec s PRO 421 Cb -0.26 -3.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.01 3mec s PRO 421 CO 0.49 -0.12 0.94 -0.51 0.04 0.00 0.00 177.00 177.84 3mec s LEU 422 N -0.85 4.39 -0.06 -3.56 1.43 -1.26 -4.56 118.68 114.21 3mec s LEU 422 Ca 0.52 1.84 -0.29 0.00 -1.03 0.00 0.00 54.13 55.17 3mec s LEU 422 Cb -0.36 -3.94 -0.02 0.00 0.03 0.00 0.00 46.19 41.90 3mec s LEU 422 CO 0.42 -0.03 0.97 0.54 0.23 0.00 0.00 176.35 178.49 3mec s VAL 423 N -1.54 4.84 0.10 -1.59 0.11 -0.03 -5.03 120.40 117.26 3mec s VAL 423 Ca 0.48 2.00 0.03 0.00 -2.93 0.00 0.00 61.98 61.56 3mec s VAL 423 Cb -0.20 -4.29 -0.04 0.00 -1.53 0.00 0.00 36.38 30.32 3mec s VAL 423 CO 0.25 0.09 -0.08 -0.54 -3.33 0.00 0.00 175.10 171.49 3mec s LYS 424 N 1.48 0.84 -0.11 1.54 1.02 -1.26 -4.56 119.74 118.69 3mec s LYS 424 Ca 0.49 -1.23 -0.21 0.00 0.02 0.00 0.00 55.97 55.03 3mec s LYS 424 Cb -0.19 -0.39 -0.03 0.00 -0.52 0.00 0.00 37.83 36.69 3mec s LYS 424 CO 0.22 0.04 0.63 -0.51 -0.92 0.00 0.00 175.35 174.81 3mec s LEU 425 N -2.71 4.26 0.15 3.17 1.43 -1.26 -4.72 118.68 119.00 3mec s LEU 425 Ca 0.08 1.00 0.23 0.00 -1.03 0.00 0.00 54.13 54.42 3mec s LEU 425 Cb 0.00 -2.94 0.17 0.00 0.03 0.00 0.00 46.19 43.46 3mec s LEU 425 CO -0.02 -0.13 1.18 -0.50 0.23 0.00 0.00 176.35 177.12 3mec h TRP 426 N 6.93 0.00 -3.20 0.29 4.06 -1.95 -3.45 115.95 118.62 3mec h TRP 426 Ca -0.38 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.49 3mec h TRP 426 Cb 1.18 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 29.18 3mec h TRP 426 CO 0.66 0.00 -0.14 1.52 -3.56 0.00 0.00 178.44 176.92 3mec s TYR 427 N -3.25 -0.20 -0.00 0.49 1.13 -1.26 -4.76 117.35 109.50 3mec s TYR 427 Ca 0.03 0.06 0.08 0.00 -1.41 0.00 0.00 57.07 55.83 3mec s TYR 427 Cb 0.12 0.19 -0.02 0.00 -1.10 0.00 0.00 41.96 41.14 3mec s TYR 427 CO 0.76 -0.58 -0.25 -0.65 -2.51 0.00 0.00 175.55 172.32 3mec s GLN 428 N -2.84 2.07 0.21 -3.49 -0.21 -1.26 -5.06 119.66 109.08 3mec s GLN 428 Ca -0.03 -0.96 -0.28 0.00 0.02 0.00 0.00 55.36 54.11 3mec s GLN 428 Cb 0.00 -2.06 -0.09 0.00 1.00 0.00 0.00 33.01 31.86 3mec s GLN 428 CO -0.05 0.55 0.88 -0.51 -2.12 0.00 0.00 175.29 174.04 3mec s LEU 429 N -0.83 4.62 0.70 2.90 1.43 -1.26 -4.67 118.68 121.58 3mec s LEU 429 Ca 0.11 1.83 -0.16 0.00 -1.03 0.00 0.00 54.13 54.88 3mec s LEU 429 Cb -0.10 -3.49 0.02 0.00 0.03 0.00 0.00 46.19 42.65 3mec s LEU 429 CO 0.00 0.17 1.25 -1.61 0.23 0.00 0.00 176.35 176.39 3mec s GLU 430 N -1.12 2.26 0.01 1.70 0.41 0.77 -4.96 118.70 117.76 3mec s GLU 430 Ca 0.39 1.92 0.22 0.00 -0.41 0.00 0.00 54.97 57.09 3mec s GLU 430 Cb -0.25 -1.83 -0.26 0.00 -1.78 0.00 0.00 34.13 30.01 3mec s GLU 430 CO 0.30 -1.78 0.58 1.63 -0.49 0.00 0.00 175.26 175.49 3mec n LYS 431 N -2.40 0.65 -4.25 1.61 5.02 -1.26 -4.69 118.16 112.84 3mec n LYS 431 Ca 0.15 -0.11 -0.19 0.00 -2.02 0.00 0.00 58.31 56.14 3mec n LYS 431 Cb 0.49 -1.59 -0.11 0.00 -0.02 0.00 0.00 35.03 33.80 3mec n LYS 431 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3mec s GLU 432 N -3.41 1.04 0.39 1.97 0.41 -1.26 -5.11 118.70 112.72 3mec s GLU 432 Ca -0.06 -1.22 -0.25 0.00 -0.41 0.00 0.00 54.97 53.03 3mec s GLU 432 Cb 0.12 -0.98 -0.12 0.00 -1.78 0.00 0.00 34.13 31.37 3mec s GLU 432 CO 0.88 0.20 0.98 -2.30 -0.49 0.00 0.00 175.26 174.52 3mec n PRO 433 N 0.64 1.30 -3.16 0.39 -0.02 -1.26 -4.85 135.00 128.04 3mec n PRO 433 Ca -0.16 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 3mec n PRO 433 Cb 0.56 -1.96 -0.07 0.00 -0.02 0.00 0.00 33.50 32.02 3mec n PRO 433 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mec s ILE 434 N -1.24 4.94 0.26 4.25 1.01 -1.26 -5.04 121.20 124.12 3mec s ILE 434 Ca 0.62 0.47 -0.30 0.00 0.00 0.00 0.00 60.65 61.43 3mec s ILE 434 Cb -0.59 -4.04 -0.11 0.00 0.01 0.00 0.00 42.46 37.73 3mec s ILE 434 CO 0.58 -0.29 1.58 -0.69 0.00 0.00 0.00 174.94 176.12 3mec s VAL 435 N 2.59 2.24 0.00 2.92 1.01 -1.26 -2.59 120.40 125.31 3mec s VAL 435 Ca 0.22 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3mec s VAL 435 Cb -0.15 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.11 3mec s VAL 435 CO 0.14 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.88 3mec n GLY 436 N 2.65 0.84 3.78 4.51 0.00 -1.26 -5.02 105.19 110.70 3mec n GLY 436 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3mec n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mec s ALA 437 N -3.31 3.71 0.20 4.61 0.00 -1.07 -5.05 121.76 120.85 3mec s ALA 437 Ca 0.00 -0.53 -0.33 0.00 0.00 0.00 0.00 51.96 51.10 3mec s ALA 437 Cb 0.00 -2.22 -0.13 0.00 0.00 0.00 0.00 23.12 20.77 3mec s ALA 437 CO 0.00 0.30 1.64 -1.91 0.00 0.00 0.00 175.76 175.79 3mec n GLU 438 N 2.92 2.48 -2.91 0.00 2.13 -1.26 -4.52 120.64 119.48 3mec n GLU 438 Ca -0.15 0.89 -0.43 0.00 0.66 0.00 0.00 57.16 58.13 3mec n GLU 438 Cb 0.53 -2.70 -0.05 0.00 0.27 0.00 0.00 31.44 29.49 3mec n GLU 438 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3mec s THR 439 N 0.94 4.56 -0.37 6.31 2.01 -1.26 -1.95 115.64 125.87 3mec s THR 439 Ca 0.76 0.41 -0.23 0.00 0.31 0.00 0.00 61.69 62.93 3mec s THR 439 Cb -0.58 -4.40 0.01 0.00 0.01 0.00 0.00 72.50 67.54 3mec s THR 439 CO 0.36 -0.85 0.80 -0.36 -0.69 0.00 0.00 174.62 173.89 3mec s PHE 440 N 3.52 3.10 -0.46 4.92 0.40 0.33 -2.40 117.98 127.39 3mec s PHE 440 Ca 0.31 0.55 -0.23 0.00 -0.60 0.00 0.00 56.93 56.96 3mec s PHE 440 Cb -0.12 -3.46 0.03 0.00 0.51 0.00 0.00 43.02 39.98 3mec s PHE 440 CO 0.22 -0.77 0.76 0.71 0.70 0.00 0.00 175.22 176.85 3mec s TYR 441 N 3.17 2.99 0.32 0.36 1.51 0.16 -0.86 117.35 124.99 3mec s TYR 441 Ca 0.32 0.07 0.07 0.00 -1.01 0.00 0.00 57.07 56.52 3mec s TYR 441 Cb -0.13 -3.63 -0.03 0.00 -0.11 0.00 0.00 41.96 38.06 3mec s TYR 441 CO 0.18 -1.00 0.29 0.14 -1.11 0.00 0.00 175.55 174.05 3mec s VAL 442 N 3.22 3.72 -0.27 0.71 -7.23 -0.60 -0.99 120.40 118.97 3mec s VAL 442 Ca 0.28 -1.35 -0.26 0.00 -1.81 0.00 0.00 61.98 58.84 3mec s VAL 442 Cb -0.13 -3.24 0.12 0.00 0.56 0.00 0.00 36.38 33.70 3mec s VAL 442 CO 0.21 -0.20 1.02 -0.62 -0.31 0.00 0.00 175.10 175.20 3mec s ASP 443 N -3.98 -0.45 0.08 4.85 3.68 -0.56 -4.56 116.67 115.72 3mec s ASP 443 Ca 0.40 0.83 0.04 0.00 2.13 0.00 0.00 52.55 55.95 3mec s ASP 443 Cb -0.06 0.82 -0.03 0.00 -1.45 0.00 0.00 42.92 42.20 3mec s ASP 443 CO 0.27 -0.18 -0.12 -0.83 0.13 0.00 0.00 175.17 174.44 3mec s GLY 444 N 0.06 0.82 -0.28 2.66 0.00 -1.26 -1.43 107.32 107.89 3mec s GLY 444 Ca 0.02 -1.03 -0.20 0.00 0.00 0.00 0.00 44.72 43.52 3mec s GLY 444 CO -0.05 -1.08 0.79 0.00 0.00 0.00 0.00 173.10 172.76 3mec s ALA 445 N -1.65 -1.93 0.17 3.20 0.00 -0.72 -4.50 121.76 116.33 3mec s ALA 445 Ca -0.01 2.21 0.11 0.00 0.00 0.00 0.00 51.96 54.28 3mec s ALA 445 Cb -0.08 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 3mec s ALA 445 CO 0.01 -0.35 -0.24 0.00 0.00 0.00 0.00 175.76 175.19 3mec s ALA 446 N 1.06 2.52 -0.07 0.00 0.00 -1.26 -1.47 121.76 122.53 3mec s ALA 446 Ca -0.05 -1.57 -0.18 0.00 0.00 0.00 0.00 51.96 50.16 3mec s ALA 446 Cb -0.05 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 3mec s ALA 446 CO -0.12 0.47 0.48 1.21 0.00 0.00 0.00 175.76 177.81 3mec s ASN 447 N -2.48 6.76 0.15 0.00 3.84 -0.44 -4.84 114.94 117.92 3mec s ASN 447 Ca 0.19 0.90 -0.13 0.00 0.21 0.00 0.00 52.86 54.03 3mec s ASN 447 Cb -0.09 -2.29 0.02 0.00 -0.55 0.00 0.00 41.25 38.34 3mec s ASN 447 CO 0.09 0.08 1.63 -0.09 -2.79 0.00 0.00 177.10 176.02 3mec h ARG 448 N 6.13 0.82 0.00 0.43 9.65 -1.97 0.25 114.38 129.69 3mec h ARG 448 Ca -0.44 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.21 3mec h ARG 448 Cb 1.19 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 3mec h ARG 448 CO 0.72 0.83 -1.11 0.39 2.80 0.00 0.00 179.97 183.60 3mec n GLU 449 N -4.41 0.29 -0.06 0.20 4.71 -1.26 -4.16 120.64 115.96 3mec n GLU 449 Ca 0.01 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.16 57.05 3mec n GLU 449 Cb 0.26 -1.58 -0.15 0.00 -1.01 0.00 0.00 31.44 28.97 3mec n GLU 449 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3mec n THR 450 N -1.93 1.46 -1.27 2.62 -1.04 -1.14 -4.96 114.28 108.02 3mec n THR 450 Ca 0.02 -0.82 -0.09 0.00 -2.04 0.00 0.00 64.05 61.11 3mec n THR 450 Cb 0.44 -0.73 -0.04 0.00 -1.82 0.00 0.00 70.33 68.18 3mec n THR 450 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3mec n LYS 451 N -2.88 -1.19 -3.51 -2.82 4.01 0.85 -4.66 118.16 107.97 3mec n LYS 451 Ca -0.24 0.78 -0.37 0.00 -0.51 0.00 0.00 58.31 57.96 3mec n LYS 451 Cb 1.09 -4.89 -0.08 0.00 -0.51 0.00 0.00 35.03 30.65 3mec n LYS 451 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3mec s LEU 452 N -2.14 4.19 0.33 -0.35 2.96 -1.25 -0.27 118.68 122.14 3mec s LEU 452 Ca 0.00 0.44 0.08 0.00 -0.22 0.00 0.00 54.13 54.42 3mec s LEU 452 Cb 0.00 -2.37 -0.06 0.00 0.50 0.00 0.00 46.19 44.25 3mec s LEU 452 CO 0.00 0.03 -0.06 -0.83 -1.32 0.00 0.00 176.35 174.17 3mec s GLY 453 N 0.79 2.08 -0.02 7.98 0.00 -0.04 -1.33 107.32 116.78 3mec s GLY 453 Ca 0.16 -2.04 0.03 0.00 0.00 0.00 0.00 44.72 42.87 3mec s GLY 453 CO 0.05 -1.95 -0.12 0.54 0.00 0.00 0.00 173.10 171.62 3mec s LYS 454 N -3.68 1.19 -0.03 2.90 3.01 -0.54 -1.02 119.74 121.57 3mec s LYS 454 Ca 0.32 -0.44 0.04 0.00 -1.01 0.00 0.00 55.97 54.88 3mec s LYS 454 Cb 0.04 -1.10 -0.00 0.00 -1.01 0.00 0.00 37.83 35.76 3mec s LYS 454 CO 0.15 0.21 -0.13 0.00 0.51 0.00 0.00 175.35 176.09 3mec s ALA 455 N -0.03 1.16 0.12 5.17 0.00 -0.71 -1.76 121.76 125.71 3mec s ALA 455 Ca -0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 3mec s ALA 455 Cb -0.08 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.72 3mec s ALA 455 CO 0.00 0.23 0.60 0.41 0.00 0.00 0.00 175.76 177.01 3mec n GLY 456 N 3.05 0.94 3.30 0.00 0.00 -0.51 -1.15 105.19 110.81 3mec n GLY 456 Ca -0.17 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 3mec n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mec s TYR 457 N -3.82 -0.21 0.02 1.61 -0.85 -0.53 -1.49 117.35 112.08 3mec s TYR 457 Ca 0.13 0.13 0.06 0.00 -0.52 0.00 0.00 57.07 56.87 3mec s TYR 457 Cb -0.02 0.18 -0.02 0.00 0.38 0.00 0.00 41.96 42.48 3mec s TYR 457 CO 0.04 -0.56 -0.18 0.08 -1.52 0.00 0.00 175.55 173.41 3mec s VAL 458 N -2.58 1.45 0.36 -3.49 1.01 -0.16 -2.15 120.40 114.84 3mec s VAL 458 Ca -0.05 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.03 3mec s VAL 458 Cb -0.01 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 3mec s VAL 458 CO -0.03 0.24 0.08 0.42 0.00 0.00 0.00 175.10 175.81 3mec s THR 459 N -0.66 2.64 -0.12 3.92 -4.23 -0.25 0.36 115.64 117.30 3mec s THR 459 Ca 0.06 -1.84 0.30 0.00 -1.18 0.00 0.00 61.69 59.03 3mec s THR 459 Cb -0.08 -2.90 0.35 0.00 1.34 0.00 0.00 72.50 71.22 3mec s THR 459 CO 0.01 -0.14 1.88 -0.55 -0.54 0.00 0.00 174.62 175.27 3mec h ASN 460 N 1.66 0.00 -0.16 3.99 -1.07 -1.81 -2.20 115.58 115.99 3mec h ASN 460 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.94 3mec h ASN 460 Cb 1.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 3mec h ASN 460 CO 0.67 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.71 3mec n ARG 461 N -2.84 1.61 -0.14 4.14 1.74 -1.26 -4.92 116.66 114.98 3mec n ARG 461 Ca 0.01 -0.92 0.00 0.00 -0.77 0.00 0.00 57.85 56.17 3mec n ARG 461 Cb 0.31 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 3mec n ARG 461 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mec n GLY 462 N 1.05 0.85 3.77 -0.13 0.00 -0.83 -5.04 105.19 104.87 3mec n GLY 462 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3mec n GLY 462 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mec s ARG 463 N -0.67 3.76 0.04 1.61 0.52 -1.26 -4.82 118.95 118.13 3mec s ARG 463 Ca 0.00 1.68 -0.10 0.00 -0.52 0.00 0.00 55.73 56.80 3mec s ARG 463 Cb 0.00 -2.35 0.01 0.00 0.52 0.00 0.00 34.95 33.13 3mec s ARG 463 CO 0.00 -0.53 0.21 -0.65 0.02 0.00 0.00 175.30 174.35 3mec s GLN 464 N -2.79 0.72 -0.29 3.54 -0.21 -1.26 -1.09 119.66 118.28 3mec s GLN 464 Ca 0.64 -0.64 -0.17 0.00 0.02 0.00 0.00 55.36 55.22 3mec s GLN 464 Cb -0.26 0.30 0.18 0.00 1.00 0.00 0.00 33.01 34.23 3mec s GLN 464 CO 0.31 -0.21 1.16 0.21 -2.12 0.00 0.00 175.29 174.64 3mec s LYS 465 N -2.65 0.18 -0.01 2.91 2.20 -0.91 -4.98 119.74 116.48 3mec s LYS 465 Ca -0.04 0.30 0.02 0.00 -0.36 0.00 0.00 55.97 55.89 3mec s LYS 465 Cb -0.01 0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.35 3mec s LYS 465 CO -0.04 -0.04 -0.08 0.54 -0.36 0.00 0.00 175.35 175.37 3mec s VAL 466 N 1.09 0.60 0.12 4.02 0.11 -1.26 -1.45 120.40 123.62 3mec s VAL 466 Ca -0.08 -0.32 0.06 0.00 -2.93 0.00 0.00 61.98 58.72 3mec s VAL 466 Cb -0.03 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 3mec s VAL 466 CO -0.12 0.17 -0.15 0.68 -3.33 0.00 0.00 175.10 172.35 3mec s VAL 467 N -0.17 1.39 0.01 2.04 -7.23 -0.30 -4.97 120.40 111.16 3mec s VAL 467 Ca 0.03 -1.65 -0.11 0.00 -1.81 0.00 0.00 61.98 58.44 3mec s VAL 467 Cb -0.03 -1.49 -0.05 0.00 0.56 0.00 0.00 36.38 35.37 3mec s VAL 467 CO -0.00 -0.33 0.34 -0.89 -0.31 0.00 0.00 175.10 173.91 3mec s THR 468 N -1.86 5.17 0.02 5.32 2.01 -1.26 -1.74 115.64 123.29 3mec s THR 468 Ca 0.07 0.51 0.06 0.00 0.31 0.00 0.00 61.69 62.65 3mec s THR 468 Cb -0.06 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.81 3mec s THR 468 CO 0.03 0.47 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.50 3mec s LEU 469 N -1.42 2.11 -0.10 4.42 1.43 -0.19 -4.98 118.68 119.95 3mec s LEU 469 Ca 0.26 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 3mec s LEU 469 Cb -0.15 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 3mec s LEU 469 CO 0.14 0.15 -0.09 0.42 0.23 0.00 0.00 176.35 177.19 3mec s THR 470 N -0.63 3.43 -0.86 5.49 -4.23 -1.26 -0.86 115.64 116.72 3mec s THR 470 Ca 0.06 -0.56 -0.04 0.00 -1.18 0.00 0.00 61.69 59.97 3mec s THR 470 Cb -0.08 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.35 3mec s THR 470 CO 0.01 0.56 0.63 -0.67 -0.54 0.00 0.00 174.62 174.60 3mec n ASP 471 N 2.85 -5.20 -4.57 3.99 4.64 -0.09 -4.99 116.55 113.18 3mec n ASP 471 Ca -0.18 -0.88 -0.26 0.00 -1.38 0.00 0.00 54.79 52.09 3mec n ASP 471 Cb 0.53 -2.23 -0.11 0.00 -1.04 0.00 0.00 41.12 38.27 3mec n ASP 471 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 3mec s THR 472 N -3.06 1.80 0.42 5.18 -1.32 0.62 -5.02 115.64 114.26 3mec s THR 472 Ca 0.06 -2.02 0.07 0.00 -1.21 0.00 0.00 61.69 58.60 3mec s THR 472 Cb -0.03 -2.91 -0.03 0.00 -1.51 0.00 0.00 72.50 68.02 3mec s THR 472 CO 0.88 -0.02 0.33 0.42 -2.21 0.00 0.00 174.62 174.02 3mec s THR 473 N -2.86 2.49 0.35 5.08 -4.23 -1.26 -4.63 115.64 110.57 3mec s THR 473 Ca 0.35 -1.45 0.07 0.00 -1.18 0.00 0.00 61.69 59.48 3mec s THR 473 Cb 0.09 -2.94 0.13 0.00 1.34 0.00 0.00 72.50 71.12 3mec s THR 473 CO 0.17 0.00 1.86 -1.13 -0.54 0.00 0.00 174.62 174.98 3mec h ASN 474 N 1.12 0.32 0.90 3.99 -1.24 -1.94 -2.50 115.58 116.22 3mec h ASN 474 Ca -0.41 -0.08 -0.19 0.00 0.71 0.00 0.00 56.30 56.33 3mec h ASN 474 Cb 1.26 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 40.20 3mec h ASN 474 CO 0.61 0.50 -0.89 0.06 -1.29 0.00 0.00 177.43 176.41 3mec h GLN 475 N 0.31 0.00 -0.34 6.67 3.07 -1.95 -2.95 115.11 119.92 3mec h GLN 475 Ca 0.06 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.64 3mec h GLN 475 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.01 3mec h GLN 475 CO 0.03 0.89 -0.42 0.87 0.09 0.00 0.00 178.83 180.29 3mec h LYS 476 N 0.00 0.85 -0.32 0.06 1.57 -1.91 -2.70 116.57 114.12 3mec h LYS 476 Ca -0.01 -0.46 -0.07 0.00 -1.87 0.00 0.00 60.65 58.23 3mec h LYS 476 Cb 1.58 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.90 3mec h LYS 476 CO 0.12 1.10 -0.11 1.79 -0.57 0.00 0.00 179.45 181.77 3mec h THR 477 N 0.69 1.24 -0.48 -0.16 1.35 -1.41 0.23 112.91 114.37 3mec h THR 477 Ca 0.05 -1.04 -0.10 0.00 -0.55 0.00 0.00 66.41 64.77 3mec h THR 477 Cb 1.00 1.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.51 3mec h THR 477 CO 0.10 0.34 -0.10 -0.33 -0.25 0.00 0.00 175.52 175.29 3mec h GLU 478 N 0.51 0.87 -0.60 4.72 5.08 -1.48 0.15 114.58 123.83 3mec h GLU 478 Ca 0.09 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.08 3mec h GLU 478 Cb 0.51 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3mec h GLU 478 CO 0.03 0.93 0.06 -0.07 -1.00 0.00 0.00 179.01 178.96 3mec h LEU 479 N 0.78 0.95 -0.60 1.33 4.07 -1.05 -2.95 115.31 117.84 3mec h LEU 479 Ca 0.13 -0.23 -0.04 0.00 0.08 0.00 0.00 57.88 57.82 3mec h LEU 479 Cb 0.60 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 42.07 3mec h LEU 479 CO 0.04 0.97 0.22 1.56 -1.08 0.00 0.00 178.44 180.16 3mec h GLN 480 N 0.92 0.91 -0.86 1.13 1.08 0.27 -1.49 115.11 117.08 3mec h GLN 480 Ca 0.18 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3mec h GLN 480 Cb 0.45 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.70 3mec h GLN 480 CO 0.02 0.79 0.53 0.00 -0.95 0.00 0.00 178.83 179.22 3mec h ALA 481 N 1.08 1.33 -0.13 3.87 0.00 -0.71 0.13 119.26 124.82 3mec h ALA 481 Ca 0.20 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 3mec h ALA 481 Cb 0.23 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.68 3mec h ALA 481 CO -0.01 0.59 -0.60 0.82 0.00 0.00 0.00 179.25 180.05 3mec h ILE 482 N 1.18 1.33 -0.84 0.00 2.04 -1.29 -2.39 117.51 117.54 3mec h ILE 482 Ca 0.31 -1.86 0.03 0.00 1.00 0.00 0.00 64.86 64.34 3mec h ILE 482 Cb -0.08 2.07 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 3mec h ILE 482 CO -0.06 0.57 0.54 0.22 0.00 0.00 0.00 178.15 179.42 3mec h TYR 483 N 0.31 1.01 -0.63 1.37 3.20 -1.03 -1.83 116.97 119.36 3mec h TYR 483 Ca -0.04 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.93 3mec h TYR 483 Cb 1.24 -0.33 -0.06 0.00 1.54 0.00 0.00 36.73 39.11 3mec h TYR 483 CO 0.10 0.58 0.31 -0.07 -1.64 0.00 0.00 178.16 177.44 3mec h LEU 484 N 1.05 0.41 -0.99 2.82 3.38 -0.58 -1.32 115.31 120.08 3mec h LEU 484 Ca 0.33 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.25 3mec h LEU 484 Cb 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3mec h LEU 484 CO -0.11 0.26 -0.49 0.00 0.09 0.00 0.00 178.44 178.18 3mec h ALA 485 N 1.37 1.16 -0.07 1.53 0.00 -0.90 -2.62 119.26 119.74 3mec h ALA 485 Ca 0.30 -0.45 -0.25 0.00 0.00 0.00 0.00 54.91 54.51 3mec h ALA 485 Cb 0.27 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.00 3mec h ALA 485 CO -0.23 0.62 -0.93 -0.07 0.00 0.00 0.00 179.25 178.64 3mec h LEU 486 N 0.03 0.93 -0.17 0.00 3.38 -0.61 -2.96 115.31 115.90 3mec h LEU 486 Ca -0.00 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.28 3mec h LEU 486 Cb 0.88 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3mec h LEU 486 CO 0.07 1.49 0.00 0.06 0.09 0.00 0.00 178.44 180.14 3mec h GLN 487 N 0.45 0.00 -0.12 1.13 3.07 -1.12 -3.21 115.11 115.31 3mec h GLN 487 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.64 3mec h GLN 487 Cb 1.57 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.13 3mec h GLN 487 CO 0.19 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 178.86 3mec n ASP 488 N -2.31 2.72 -4.84 0.06 8.00 -1.00 -5.00 116.55 114.18 3mec n ASP 488 Ca 0.05 -1.81 -0.22 0.00 0.71 0.00 0.00 54.79 53.51 3mec n ASP 488 Cb 0.39 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.38 3mec n ASP 488 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3mec s SER 489 N -1.45 4.82 0.17 -2.24 1.04 -1.12 -5.07 113.70 109.85 3mec s SER 489 Ca 0.25 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.78 3mec s SER 489 Cb 0.16 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.83 3mec s SER 489 CO 0.24 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.40 3mec n GLY 490 N -1.48 -1.13 0.23 7.32 0.00 -1.26 -4.94 105.19 103.94 3mec n GLY 490 Ca 0.02 -1.58 0.15 0.00 0.00 0.00 0.00 46.02 44.60 3mec n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mec h LEU 491 N 0.00 0.00 -8.48 0.99 3.38 -1.94 -3.42 115.31 105.85 3mec h LEU 491 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 3mec h LEU 491 Cb 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.44 3mec h LEU 491 CO 0.00 0.00 -0.87 -1.61 0.09 0.00 0.00 178.44 176.05 3mec s GLU 492 N -3.47 2.13 -0.28 1.13 2.02 -1.26 -0.14 118.70 118.82 3mec s GLU 492 Ca 0.04 -0.84 -0.16 0.00 0.02 0.00 0.00 54.97 54.02 3mec s GLU 492 Cb 0.08 -1.93 0.09 0.00 0.10 0.00 0.00 34.13 32.48 3mec s GLU 492 CO 0.56 0.43 0.76 0.54 0.02 0.00 0.00 175.26 177.57 3mec s VAL 493 N -0.34 0.00 -0.04 2.63 0.11 -0.81 -4.32 120.40 117.62 3mec s VAL 493 Ca 0.03 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.96 3mec s VAL 493 Cb -0.11 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.69 3mec s VAL 493 CO 0.01 0.00 0.32 0.20 -3.33 0.00 0.00 175.10 172.30 3mec s ASN 494 N 1.51 6.66 -0.08 3.54 0.01 -0.82 -2.33 114.94 123.43 3mec s ASN 494 Ca -0.09 0.79 0.01 0.00 -0.71 0.00 0.00 52.86 52.86 3mec s ASN 494 Cb -0.05 -2.19 0.02 0.00 0.41 0.00 0.00 41.25 39.44 3mec s ASN 494 CO -0.18 0.35 -0.07 -0.63 -1.51 0.00 0.00 177.10 175.06 3mec s ILE 495 N -1.03 0.86 -0.28 0.60 1.01 0.03 -0.51 121.20 121.89 3mec s ILE 495 Ca 0.21 -0.25 -0.04 0.00 0.00 0.00 0.00 60.65 60.57 3mec s ILE 495 Cb -0.15 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.48 3mec s ILE 495 CO 0.10 0.32 0.01 -0.69 0.00 0.00 0.00 174.94 174.68 3mec s VAL 496 N 1.25 3.34 0.34 2.92 1.01 -0.04 -1.05 120.40 128.17 3mec s VAL 496 Ca -0.05 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.06 3mec s VAL 496 Cb -0.14 -2.75 -0.06 0.00 0.00 0.00 0.00 36.38 33.43 3mec s VAL 496 CO -0.02 0.08 -0.04 0.28 0.00 0.00 0.00 175.10 175.40 3mec s THR 497 N 1.38 2.42 -0.22 3.92 -1.32 -0.46 -1.55 115.64 119.81 3mec s THR 497 Ca 0.00 -2.08 0.13 0.00 -1.21 0.00 0.00 61.69 58.53 3mec s THR 497 Cb -0.17 -2.73 0.29 0.00 -1.51 0.00 0.00 72.50 68.37 3mec s THR 497 CO -0.01 -0.19 1.20 -0.90 -2.21 0.00 0.00 174.62 172.51 3mec n ASP 498 N -0.88 2.75 -4.34 8.08 5.68 -1.26 -1.33 116.55 125.25 3mec n ASP 498 Ca -0.05 -2.69 -0.45 0.00 -0.50 0.00 0.00 54.79 51.10 3mec n ASP 498 Cb 0.63 -0.34 -0.06 0.00 -1.14 0.00 0.00 41.12 40.20 3mec n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3mec s SER 499 N -1.98 6.13 0.34 -1.12 0.15 -1.26 -4.69 113.70 111.26 3mec s SER 499 Ca 0.27 -1.59 0.01 0.00 0.70 0.00 0.00 55.95 55.34 3mec s SER 499 Cb 0.22 -2.18 0.60 0.00 -1.71 0.00 0.00 66.02 62.94 3mec s SER 499 CO 0.06 -0.75 2.00 -0.61 1.20 0.00 0.00 173.24 175.14 3mec h GLN 500 N 8.79 0.88 -0.00 5.44 4.15 -1.94 -0.95 115.11 131.48 3mec h GLN 500 Ca -0.29 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.11 3mec h GLN 500 Cb 1.10 -0.20 -0.06 0.00 0.21 0.00 0.00 27.48 28.54 3mec h GLN 500 CO 0.95 0.59 -0.44 -0.92 -1.93 0.00 0.00 178.83 177.08 3mec h TYR 501 N 0.91 -1.27 -0.89 3.99 3.20 -1.99 0.67 116.97 121.59 3mec h TYR 501 Ca 0.24 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 3mec h TYR 501 Cb -0.10 0.55 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 3mec h TYR 501 CO 0.00 -0.51 0.53 0.00 -1.64 0.00 0.00 178.16 176.54 3mec h ALA 502 N -0.11 1.26 -0.41 1.82 0.00 -1.78 -2.48 119.26 117.56 3mec h ALA 502 Ca 0.04 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3mec h ALA 502 Cb 0.67 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3mec h ALA 502 CO -0.33 0.63 -0.34 1.25 0.00 0.00 0.00 179.25 180.46 3mec h LEU 503 N 1.23 1.01 -0.32 0.00 5.85 -0.65 -2.24 115.31 120.18 3mec h LEU 503 Ca 0.32 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 58.63 3mec h LEU 503 Cb -0.04 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 3mec h LEU 503 CO -0.06 1.24 0.09 1.23 -0.34 0.00 0.00 178.44 180.61 3mec h GLY 504 N 0.78 0.39 0.88 3.75 0.00 0.76 -1.17 103.07 108.47 3mec h GLY 504 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 3mec h GLY 504 CO 0.09 0.01 -0.16 -2.22 0.00 0.00 0.00 176.54 174.26 3mec h ILE 505 N 0.22 0.68 -0.20 2.60 2.04 -1.31 -2.94 117.51 118.60 3mec h ILE 505 Ca 0.15 -0.23 -0.18 0.00 1.00 0.00 0.00 64.86 65.59 3mec h ILE 505 Cb 0.14 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3mec h ILE 505 CO -0.17 0.05 -0.61 0.40 0.00 0.00 0.00 178.15 177.82 3mec h ILE 506 N -0.58 1.30 0.00 -0.67 2.04 -1.32 -2.55 117.51 115.73 3mec h ILE 506 Ca -0.05 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 63.97 3mec h ILE 506 Cb 0.43 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 3mec h ILE 506 CO 0.08 0.58 0.00 1.67 0.00 0.00 0.00 178.15 180.48 3mec n GLN 507 N -3.96 0.19 0.23 2.37 7.27 -0.45 -0.45 117.38 122.59 3mec n GLN 507 Ca -0.04 0.36 0.16 0.00 0.07 0.00 0.00 57.00 57.54 3mec n GLN 507 Cb 0.65 -1.82 0.60 0.00 2.41 0.00 0.00 30.24 32.07 3mec n GLN 507 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3mec h ALA 508 N 2.36 1.00 -1.39 1.69 0.00 -1.26 -3.48 119.26 118.18 3mec h ALA 508 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3mec h ALA 508 Cb 0.44 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.24 3mec h ALA 508 CO 0.00 0.00 -0.08 0.94 0.00 0.00 0.00 179.25 180.11 3mec n GLN 509 N -2.86 -0.86 -1.69 0.00 7.27 0.41 -4.90 117.38 114.74 3mec n GLN 509 Ca 0.01 0.11 -0.41 0.00 0.07 0.00 0.00 57.00 56.78 3mec n GLN 509 Cb 0.31 -3.08 0.01 0.00 2.41 0.00 0.00 30.24 29.90 3mec n GLN 509 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 3mec n PRO 510 N -1.10 1.83 -0.03 3.69 -0.02 -1.26 -4.71 135.00 133.39 3mec n PRO 510 Ca -0.00 0.65 0.03 0.00 -2.02 0.00 0.00 63.50 62.15 3mec n PRO 510 Cb 0.51 -2.36 0.04 0.00 -0.02 0.00 0.00 33.50 31.68 3mec n PRO 510 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3mec n ASP 511 N 0.13 1.85 -3.58 2.55 5.68 -0.54 -4.92 116.55 117.72 3mec n ASP 511 Ca 0.07 -1.55 -0.16 0.00 -0.50 0.00 0.00 54.79 52.66 3mec n ASP 511 Cb 0.40 -0.05 -0.07 0.00 -1.14 0.00 0.00 41.12 40.27 3mec n ASP 511 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mec s GLN 512 N -0.67 0.94 0.11 0.11 -2.07 -0.68 -4.99 119.66 112.41 3mec s GLN 512 Ca 0.08 0.67 -0.14 0.00 -1.82 0.00 0.00 55.36 54.15 3mec s GLN 512 Cb 0.05 0.45 0.02 0.00 -1.09 0.00 0.00 33.01 32.44 3mec s GLN 512 CO 0.07 -0.20 0.33 0.45 -1.32 0.00 0.00 175.29 174.62 3mec s SER 513 N -0.33 -0.11 0.17 12.60 0.15 -1.26 -2.03 113.70 122.90 3mec s SER 513 Ca -0.05 -0.44 0.16 0.00 0.70 0.00 0.00 55.95 56.32 3mec s SER 513 Cb -0.03 0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 64.67 3mec s SER 513 CO 0.05 -0.82 1.15 -0.33 1.20 0.00 0.00 173.24 174.50 3mec h GLU 514 N 2.49 0.00 -6.44 5.44 5.08 -1.84 -3.45 114.58 115.85 3mec h GLU 514 Ca -0.34 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.48 3mec h GLU 514 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 3mec h GLU 514 CO 0.50 0.42 0.52 0.45 -1.00 0.00 0.00 179.01 179.90 3mec s SER 515 N -6.15 7.16 0.12 1.42 0.15 -1.26 -4.94 113.70 110.20 3mec s SER 515 Ca 0.01 1.89 -0.13 0.00 0.70 0.00 0.00 55.95 58.41 3mec s SER 515 Cb 0.08 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.76 3mec s SER 515 CO 0.78 -0.42 1.47 -0.08 1.20 0.00 0.00 173.24 176.19 3mec h GLU 516 N 6.86 0.80 -0.31 5.44 4.57 -2.00 -2.27 114.58 127.68 3mec h GLU 516 Ca -0.41 -0.39 0.07 0.00 -1.18 0.00 0.00 59.36 57.45 3mec h GLU 516 Cb 1.21 -0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.73 3mec h GLU 516 CO 0.80 1.02 -0.14 1.25 -1.18 0.00 0.00 179.01 180.76 3mec h LEU 517 N 0.59 -0.47 -0.94 1.64 6.46 -1.99 -0.97 115.31 119.63 3mec h LEU 517 Ca 0.07 0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.90 3mec h LEU 517 Cb 0.83 0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.99 3mec h LEU 517 CO 0.07 -0.17 0.30 0.58 -0.62 0.00 0.00 178.44 178.59 3mec h VAL 518 N -0.09 1.24 -0.44 1.05 2.07 -1.93 0.23 116.25 118.38 3mec h VAL 518 Ca 0.16 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 3mec h VAL 518 Cb 0.33 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3mec h VAL 518 CO -0.37 0.31 0.12 0.78 0.02 0.00 0.00 177.57 178.43 3mec h ASN 519 N 1.04 0.60 -0.28 0.57 -0.26 -0.94 -0.90 115.58 115.41 3mec h ASN 519 Ca 0.24 -0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 55.88 3mec h ASN 519 Cb 0.19 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 3mec h ASN 519 CO -0.02 0.59 0.11 1.56 -1.06 0.00 0.00 177.43 178.60 3mec h GLN 520 N 0.64 0.42 -0.75 0.81 4.20 0.35 -1.10 115.11 119.68 3mec h GLN 520 Ca 0.15 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.81 3mec h GLN 520 Cb 0.21 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 3mec h GLN 520 CO -0.01 0.45 0.49 0.82 -0.67 0.00 0.00 178.83 179.92 3mec h ILE 521 N 0.30 1.12 0.14 2.54 2.04 -0.83 -1.78 117.51 121.05 3mec h ILE 521 Ca 0.09 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3mec h ILE 521 Cb 0.19 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3mec h ILE 521 CO -0.01 0.17 -0.07 0.40 0.00 0.00 0.00 178.15 178.64 3mec h ILE 522 N 0.92 1.01 -0.94 -0.67 2.04 -0.74 0.70 117.51 119.84 3mec h ILE 522 Ca 0.29 -0.76 0.14 0.00 1.00 0.00 0.00 64.86 65.53 3mec h ILE 522 Cb 0.03 1.47 -0.08 0.00 -0.74 0.00 0.00 36.82 37.51 3mec h ILE 522 CO -0.08 0.18 0.60 1.05 0.00 0.00 0.00 178.15 179.89 3mec h GLU 523 N -0.56 0.79 -0.63 2.37 4.11 -1.07 0.04 114.58 119.63 3mec h GLU 523 Ca -0.02 -0.05 -0.09 0.00 0.07 0.00 0.00 59.36 59.28 3mec h GLU 523 Cb 0.43 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3mec h GLU 523 CO 0.03 0.52 0.05 0.37 0.07 0.00 0.00 179.01 180.05 3mec h GLN 524 N 0.81 1.07 -0.19 1.06 5.75 -1.05 -2.90 115.11 119.67 3mec h GLN 524 Ca 0.47 -0.32 -0.08 0.00 -0.15 0.00 0.00 58.65 58.58 3mec h GLN 524 Cb 0.63 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.06 3mec h GLN 524 CO -0.23 1.02 -0.22 -0.07 -2.65 0.00 0.00 178.83 176.68 3mec h LEU 525 N 0.98 0.33 -0.85 -2.39 3.38 0.10 -2.74 115.31 114.12 3mec h LEU 525 Ca 0.18 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 3mec h LEU 525 Cb 0.51 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3mec h LEU 525 CO 0.02 0.56 -0.52 0.40 0.09 0.00 0.00 178.44 178.99 3mec h ILE 526 N 0.30 1.37 0.00 1.22 2.04 -1.15 -3.10 117.51 118.18 3mec h ILE 526 Ca 0.05 -1.80 -0.12 0.00 1.00 0.00 0.00 64.86 64.00 3mec h ILE 526 Cb 0.56 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 3mec h ILE 526 CO 0.04 0.52 -0.56 0.11 0.00 0.00 0.00 178.15 178.26 3mec h LYS 527 N 0.11 0.00 -7.28 2.37 1.57 -1.30 -3.46 116.57 108.58 3mec h LYS 527 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 3mec h LYS 527 Cb 0.96 0.00 0.17 0.00 0.08 0.00 0.00 32.23 33.44 3mec h LYS 527 CO 0.08 0.56 0.22 0.15 -0.57 0.00 0.00 179.45 179.89 3mec s LYS 528 N -3.17 1.08 -0.19 3.15 -0.14 -1.11 -4.98 119.74 114.38 3mec s LYS 528 Ca 0.02 1.11 0.13 0.00 -1.36 0.00 0.00 55.97 55.87 3mec s LYS 528 Cb 0.09 -1.77 -0.21 0.00 -1.68 0.00 0.00 37.83 34.27 3mec s LYS 528 CO 0.74 -2.45 0.02 -1.91 -0.76 0.00 0.00 175.35 170.99 3mec n GLU 529 N -4.06 0.99 -3.69 1.68 4.07 0.80 -4.98 120.64 115.45 3mec n GLU 529 Ca 0.08 0.02 -0.10 0.00 -0.06 0.00 0.00 57.16 57.10 3mec n GLU 529 Cb 0.54 -1.46 -0.11 0.00 -0.06 0.00 0.00 31.44 30.35 3mec n GLU 529 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 3mec s LYS 530 N -2.44 0.40 -0.06 5.31 1.02 -0.64 -5.00 119.74 118.33 3mec s LYS 530 Ca -0.13 0.83 0.01 0.00 0.02 0.00 0.00 55.97 56.70 3mec s LYS 530 Cb 0.06 0.02 0.02 0.00 -0.52 0.00 0.00 37.83 37.41 3mec s LYS 530 CO 0.70 -0.17 -0.06 0.08 -0.92 0.00 0.00 175.35 174.98 3mec s VAL 531 N 1.55 0.69 -0.17 3.17 1.01 -1.26 -1.93 120.40 123.46 3mec s VAL 531 Ca -0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 3mec s VAL 531 Cb -0.09 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.58 3mec s VAL 531 CO -0.13 0.28 -0.15 -0.47 0.00 0.00 0.00 175.10 174.63 3mec s TYR 532 N 1.14 2.81 -0.17 5.22 5.04 -0.99 -0.17 117.35 130.24 3mec s TYR 532 Ca -0.07 -1.20 -0.03 0.00 -2.44 0.00 0.00 57.07 53.33 3mec s TYR 532 Cb -0.14 -1.94 -0.02 0.00 0.35 0.00 0.00 41.96 40.21 3mec s TYR 532 CO -0.01 -0.59 -0.04 -1.17 -1.34 0.00 0.00 175.55 172.40 3mec s LEU 533 N 1.08 3.13 0.11 6.97 1.98 -1.26 -0.79 118.68 129.89 3mec s LEU 533 Ca -0.00 -0.21 0.06 0.00 -2.89 0.00 0.00 54.13 51.09 3mec s LEU 533 Cb -0.14 -1.76 -0.04 0.00 0.66 0.00 0.00 46.19 44.91 3mec s LEU 533 CO -0.04 0.12 -0.14 0.00 -1.89 0.00 0.00 176.35 174.39 3mec s ALA 534 N 0.65 1.42 0.02 5.97 0.00 -0.22 -4.99 121.76 124.61 3mec s ALA 534 Ca -0.03 -1.21 0.05 0.00 0.00 0.00 0.00 51.96 50.78 3mec s ALA 534 Cb -0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 3mec s ALA 534 CO 0.02 0.14 -0.13 -0.46 0.00 0.00 0.00 175.76 175.33 3mec s TRP 535 N -1.84 2.72 0.06 0.00 -0.00 -1.26 -1.36 118.94 117.25 3mec s TRP 535 Ca 0.06 -0.15 0.04 0.00 -0.00 0.00 0.00 56.10 56.04 3mec s TRP 535 Cb -0.07 -1.54 -0.03 0.00 -0.00 0.00 0.00 33.47 31.84 3mec s TRP 535 CO 0.03 0.30 -0.11 0.08 -0.00 0.00 0.00 176.95 177.25 3mec s VAL 536 N -0.95 0.83 0.01 5.86 1.01 -0.44 -4.94 120.40 121.78 3mec s VAL 536 Ca 0.16 -1.17 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 3mec s VAL 536 Cb -0.11 -0.84 -0.06 0.00 0.00 0.00 0.00 36.38 35.37 3mec s VAL 536 CO 0.06 -0.29 1.47 -2.84 0.00 0.00 0.00 175.10 173.50 3mec s PRO 537 N -1.62 4.26 0.63 2.72 0.02 -1.26 -4.27 135.00 135.48 3mec s PRO 537 Ca -0.06 2.05 -0.14 0.00 0.02 0.00 0.00 61.00 62.87 3mec s PRO 537 Cb -0.10 -3.60 -0.02 0.00 0.02 0.00 0.00 34.50 30.80 3mec s PRO 537 CO 0.01 -0.63 1.06 0.00 -0.33 0.00 0.00 177.00 177.12 3mec s ALA 538 N 2.56 2.70 0.00 -1.55 0.00 -1.26 -3.45 121.76 120.75 3mec s ALA 538 Ca 0.66 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.95 3mec s ALA 538 Cb -0.33 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3mec s ALA 538 CO 0.28 -0.96 0.00 0.72 0.00 0.00 0.00 175.76 175.80 3mec n HIS 539 N -2.35 0.00 0.44 0.00 8.25 -1.26 -4.74 115.22 115.57 3mec n HIS 539 Ca 0.09 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.57 3mec n HIS 539 Cb 0.53 -1.35 0.14 0.00 1.12 0.00 0.00 29.99 30.43 3mec n HIS 539 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3mec n LYS 540 N -1.79 2.26 -2.18 -0.41 4.76 -1.22 -4.88 118.16 114.70 3mec n LYS 540 Ca 0.00 -1.07 -0.15 0.00 -2.87 0.00 0.00 58.31 54.22 3mec n LYS 540 Cb 0.04 -1.70 -0.01 0.00 -1.84 0.00 0.00 35.03 31.51 3mec n LYS 540 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mec n GLY 541 N 0.29 -0.03 3.75 0.72 0.00 -1.26 -4.95 105.19 103.71 3mec n GLY 541 Ca 0.09 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3mec n GLY 541 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mec s ILE 542 N -2.72 3.54 0.00 -0.61 -1.09 -1.26 -4.85 121.20 114.20 3mec s ILE 542 Ca 0.00 1.41 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 3mec s ILE 542 Cb 0.00 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 3mec s ILE 542 CO 0.00 0.28 0.45 0.61 -1.23 0.00 0.00 174.94 175.06 3mec n GLY 543 N 1.66 -3.34 0.26 6.18 0.00 -1.26 -1.10 105.19 107.59 3mec n GLY 543 Ca 0.01 0.72 0.10 0.00 0.00 0.00 0.00 46.02 46.85 3mec n GLY 543 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3mec h GLY 544 N 0.00 0.00 0.65 -0.02 0.00 -1.99 -3.10 103.07 98.62 3mec h GLY 544 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3mec h GLY 544 CO 0.00 0.00 -0.20 -0.57 0.00 0.00 0.00 176.54 175.77 3mec h ASN 545 N 0.00 -0.47 -0.08 0.19 -1.24 -1.63 -2.94 115.58 109.41 3mec h ASN 545 Ca -0.00 -0.11 -0.04 0.00 0.71 0.00 0.00 56.30 56.86 3mec h ASN 545 Cb 0.15 0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.30 3mec h ASN 545 CO 0.01 -0.09 0.05 -0.62 -1.29 0.00 0.00 177.43 175.48 3mec n GLU 546 N -5.20 1.13 0.00 6.67 -0.58 -0.26 -0.41 120.64 122.00 3mec n GLU 546 Ca -0.10 -0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.39 3mec n GLU 546 Cb 0.29 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 3mec n GLU 546 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3mec n GLN 547 N 0.32 2.09 -0.01 3.49 6.02 -1.18 -4.24 117.38 123.87 3mec n GLN 547 Ca 0.05 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.13 3mec n GLN 547 Cb 0.56 -0.82 -0.14 0.00 1.02 0.00 0.00 30.24 30.86 3mec n GLN 547 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 3mec n VAL 548 N -0.99 0.00 0.08 5.09 3.14 -1.02 -3.69 118.33 120.95 3mec n VAL 548 Ca 0.00 -0.32 -0.07 0.00 -2.96 0.00 0.00 64.34 60.99 3mec n VAL 548 Cb 0.00 0.37 -0.06 0.00 -1.06 0.00 0.00 33.84 33.09 3mec n VAL 548 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 3mec h ASP 549 N 0.00 0.07 0.56 6.55 1.82 -0.99 -2.74 116.42 121.69 3mec h ASP 549 Ca 0.00 -0.06 -0.18 0.00 -0.39 0.00 0.00 57.03 56.40 3mec h ASP 549 Cb 0.74 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.72 3mec h ASP 549 CO 0.00 0.97 -0.80 0.50 -1.61 0.00 0.00 179.24 178.31 3mec h LYS 550 N 0.02 0.17 0.00 0.28 3.64 -1.74 -3.17 116.57 115.77 3mec h LYS 550 Ca -0.02 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3mec h LYS 550 Cb 1.65 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.51 3mec h LYS 550 CO 0.13 0.88 -0.30 -0.07 -2.27 0.00 0.00 179.45 177.81 3mec h LEU 551 N 0.11 0.00 -1.67 5.20 4.07 -1.63 -3.50 115.31 117.88 3mec h LEU 551 Ca -0.03 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.89 3mec h LEU 551 Cb 1.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.13 3mec h LEU 551 CO 0.12 0.02 0.00 1.33 -1.08 0.00 0.00 178.44 178.83