#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mka s VAL -38 N 0.00 5.23 -0.40 0.00 1.01 -1.26 -5.05 120.40 119.92 3mka s VAL -38 Ca 0.00 0.57 -0.22 0.00 0.00 0.00 0.00 61.98 62.33 3mka s VAL -38 Cb 0.00 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.82 3mka s VAL -38 CO 0.00 0.60 0.74 -1.81 0.00 0.00 0.00 175.10 174.63 3mka s ASP -37 N -1.05 6.45 0.00 3.32 -0.00 -1.26 -4.86 116.67 119.26 3mka s ASP -37 Ca 0.20 0.06 0.24 0.00 -0.00 0.00 0.00 52.55 53.06 3mka s ASP -37 Cb -0.15 -2.37 0.55 0.00 -0.00 0.00 0.00 42.92 40.96 3mka s ASP -37 CO 0.09 -0.78 1.46 0.18 -0.00 0.00 0.00 175.17 176.12 3mka n LEU -36 N 6.45 2.51 -3.37 1.23 7.99 -1.26 -4.93 117.00 125.61 3mka n LEU -36 Ca 0.01 -0.94 -0.24 0.00 -0.01 0.00 0.00 56.01 54.83 3mka n LEU -36 Cb 0.48 -0.08 0.05 0.00 -0.11 0.00 0.00 43.42 43.76 3mka n LEU -36 CO 0.55 0.47 0.10 -1.20 -1.51 0.00 0.00 177.39 175.80 3mka n SER -35 N 0.92 -5.89 -4.51 -1.43 7.64 -1.26 -4.96 113.62 104.12 3mka n SER -35 Ca 0.17 -0.45 -0.37 0.00 1.01 0.00 0.00 58.87 59.23 3mka n SER -35 Cb 0.49 -4.71 -0.12 0.00 -1.01 0.00 0.00 64.21 58.87 3mka n SER -35 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3mka s SER -34 N -3.01 5.46 0.26 6.43 0.15 -1.26 -4.25 113.70 117.48 3mka s SER -34 Ca 0.46 -0.11 -0.05 0.00 0.70 0.00 0.00 55.95 56.96 3mka s SER -34 Cb -0.21 -1.99 0.31 0.00 -1.71 0.00 0.00 66.02 62.43 3mka s SER -34 CO 0.57 -0.01 1.91 0.15 1.20 0.00 0.00 173.24 177.06 3mka h PHE -33 N 8.08 1.16 -0.66 3.44 3.57 -1.92 -1.87 116.94 128.74 3mka h PHE -33 Ca -0.37 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.10 3mka h PHE -33 Cb 1.18 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 3mka h PHE -33 CO 0.68 0.77 0.27 1.15 -2.23 0.00 0.00 178.31 178.95 3mka h THR -32 N 1.22 1.24 -0.57 4.41 2.02 -1.94 -2.30 112.91 116.98 3mka h THR -32 Ca 0.32 -0.72 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 3mka h THR -32 Cb -0.06 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 3mka h THR -32 CO -0.06 0.29 0.12 -0.78 0.37 0.00 0.00 175.52 175.46 3mka h ASP -31 N 0.92 0.85 -0.50 4.18 3.58 -1.85 -1.05 116.42 122.55 3mka h ASP -31 Ca 0.22 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 3mka h ASP -31 Cb 0.19 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 3mka h ASP -31 CO -0.02 0.84 0.22 0.15 -2.88 0.00 0.00 179.24 177.55 3mka h PHE -30 N 0.86 0.74 -0.53 0.28 3.57 -1.04 0.10 116.94 120.92 3mka h PHE -30 Ca 0.18 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 3mka h PHE -30 Cb 0.34 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3mka h PHE -30 CO 0.02 0.60 0.10 -0.07 -2.23 0.00 0.00 178.31 176.73 3mka h LEU -29 N 0.66 0.83 -0.58 0.59 3.38 -1.16 1.03 115.31 120.06 3mka h LEU -29 Ca 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3mka h LEU -29 Cb 0.15 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3mka h LEU -29 CO -0.02 0.87 0.33 -0.09 0.09 0.00 0.00 178.44 179.62 3mka h ARG -28 N 0.75 0.80 -0.27 1.13 2.43 -0.91 0.44 114.38 118.75 3mka h ARG -28 Ca 0.16 -0.08 -0.17 0.00 -0.81 0.00 0.00 59.98 59.08 3mka h ARG -28 Cb 0.38 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3mka h ARG -28 CO 0.01 0.60 -0.48 -0.09 -1.51 0.00 0.00 179.97 178.49 3mka h ARG -27 N 0.78 0.80 0.00 0.20 2.43 -0.75 -3.42 114.38 114.42 3mka h ARG -27 Ca 0.21 -0.50 -0.28 0.00 -0.81 0.00 0.00 59.98 58.60 3mka h ARG -27 Cb 0.02 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 3mka h ARG -27 CO -0.04 1.13 -2.04 1.04 -1.51 0.00 0.00 179.97 178.56 3mka n GLN -26 N -4.10 0.45 -3.32 0.20 1.13 0.35 -4.91 117.38 107.19 3mka n GLN -26 Ca -0.05 0.11 -0.25 0.00 -1.94 0.00 0.00 57.00 54.87 3mka n GLN -26 Cb 0.59 -1.35 -0.08 0.00 0.11 0.00 0.00 30.24 29.50 3mka n GLN -26 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3mka n ALA -25 N -3.09 2.80 0.24 -1.58 0.00 0.15 -4.97 120.51 114.06 3mka n ALA -25 Ca -0.33 -3.54 0.07 0.00 0.00 0.00 0.00 53.44 49.64 3mka n ALA -25 Cb 0.84 -0.82 0.56 0.00 0.00 0.00 0.00 19.45 20.03 3mka n ALA -25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3mka h PRO -24 N 4.58 0.00 -0.88 0.00 0.11 -1.64 -2.53 132.00 131.64 3mka h PRO -24 Ca 0.15 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.32 3mka h PRO -24 Cb 0.86 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.91 3mka h PRO -24 CO 0.49 0.11 0.57 1.49 -0.21 0.00 0.00 178.00 180.46 3mka h GLU -23 N 0.00 0.97 0.00 1.05 4.57 -1.93 1.17 114.58 120.40 3mka h GLU -23 Ca -0.00 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 3mka h GLU -23 Cb 0.20 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 3mka h GLU -23 CO 0.01 0.64 -0.18 -0.07 -1.18 0.00 0.00 179.01 178.23 3mka h LEU -22 N 1.00 0.00 -9.79 1.64 3.38 -1.83 -3.44 115.31 106.27 3mka h LEU -22 Ca 0.37 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.80 3mka h LEU -22 Cb 0.19 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.03 3mka h LEU -22 CO -0.14 0.18 0.83 -0.11 0.09 0.00 0.00 178.44 179.30 3mka n LEU -21 N -3.84 4.26 -0.21 1.67 7.94 0.40 -4.86 117.00 122.36 3mka n LEU -21 Ca -0.02 1.16 -0.00 0.00 -1.11 0.00 0.00 56.01 56.03 3mka n LEU -21 Cb 0.28 -1.58 0.23 0.00 0.53 0.00 0.00 43.42 42.88 3mka n LEU -21 CO 0.33 0.07 1.19 1.55 -1.11 0.00 0.00 177.39 179.42 3mka h PRO -20 N 4.49 0.97 -6.48 1.96 0.13 -1.86 -3.43 132.00 127.79 3mka h PRO -20 Ca -0.47 -0.09 -0.59 0.00 -0.87 0.00 0.00 66.00 63.98 3mka h PRO -20 Cb 1.23 -0.21 0.06 0.00 0.13 0.00 0.00 31.00 32.22 3mka h PRO -20 CO 0.77 0.69 0.75 0.00 -0.23 0.00 0.00 178.00 179.97 3mka n ALA -19 N -2.43 1.09 -3.05 -0.56 0.00 -1.26 -4.86 120.51 109.45 3mka n ALA -19 Ca 0.07 0.45 -0.20 0.00 0.00 0.00 0.00 53.44 53.76 3mka n ALA -19 Cb 0.07 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.18 3mka n ALA -19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3mka n SER -18 N 3.25 2.13 -0.15 0.00 2.88 -1.26 -4.97 113.62 115.49 3mka n SER -18 Ca 0.17 -3.22 -0.09 0.00 -1.33 0.00 0.00 58.87 54.40 3mka n SER -18 Cb 0.28 -0.59 -0.00 0.00 -0.75 0.00 0.00 64.21 63.15 3mka n SER -18 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3mka h ILE -17 N 1.80 1.23 0.00 2.46 2.04 -1.95 -3.47 117.51 119.62 3mka h ILE -17 Ca 0.10 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3mka h ILE -17 Cb 0.84 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3mka h ILE -17 CO 0.61 0.28 0.00 -0.24 0.00 0.00 0.00 178.15 178.80 3mka n SER -16 N -4.53 0.00 -4.58 1.72 2.88 -1.26 -4.73 113.62 103.12 3mka n SER -16 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 3mka n SER -16 Cb 0.21 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.64 3mka n SER -16 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 3mka s GLN -5 N 0.00 3.62 -0.03 -1.46 2.00 -1.26 -5.12 119.66 117.41 3mka s GLN -5 Ca 0.00 0.37 -0.06 0.00 -2.00 0.00 0.00 55.36 53.67 3mka s GLN -5 Cb 0.00 -3.94 -0.04 0.00 0.80 0.00 0.00 33.01 29.83 3mka s GLN -5 CO 0.00 -1.39 0.23 -0.51 -0.50 0.00 0.00 175.29 173.11 3mka s LEU -4 N 4.32 4.38 0.22 3.68 2.01 -1.26 -4.99 118.68 127.04 3mka s LEU -4 Ca 0.44 0.52 -0.32 0.00 0.01 0.00 0.00 54.13 54.78 3mka s LEU -4 Cb -0.08 -2.49 -0.13 0.00 0.01 0.00 0.00 46.19 43.50 3mka s LEU -4 CO 0.29 0.30 1.60 -2.65 1.01 0.00 0.00 176.35 176.90 3mka n PRO -3 N 1.37 2.46 -3.83 1.29 -0.02 -1.26 -4.79 135.00 130.22 3mka n PRO -3 Ca -0.14 0.88 -0.07 0.00 -2.02 0.00 0.00 63.50 62.16 3mka n PRO -3 Cb 0.53 -2.66 0.01 0.00 -0.02 0.00 0.00 33.50 31.36 3mka n PRO -3 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3mka s HIS -2 N 0.62 -0.01 0.00 6.00 -3.43 -0.84 -1.57 115.29 116.06 3mka s HIS -2 Ca 0.72 -0.51 0.00 0.00 -0.80 0.00 0.00 55.06 54.47 3mka s HIS -2 Cb -0.58 0.75 0.00 0.00 -1.43 0.00 0.00 32.58 31.33 3mka s HIS -2 CO 0.40 -1.26 0.00 0.41 -2.00 0.00 0.00 174.74 172.29 3mka n GLY -1 N -0.53 1.18 3.46 -1.38 0.00 -1.16 -1.64 105.19 105.11 3mka n GLY -1 Ca -0.06 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 3mka n GLY -1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mka s ALA 301 N 0.00 -1.69 -0.09 4.61 0.00 -1.26 -4.44 121.76 118.88 3mka s ALA 301 Ca 0.00 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.72 3mka s ALA 301 Cb 0.00 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.77 3mka s ALA 301 CO 0.00 -0.70 -0.12 0.99 0.00 0.00 0.00 175.76 175.92 3mka s THR 302 N -3.30 1.25 -0.06 0.00 2.01 -1.26 -2.09 115.64 112.19 3mka s THR 302 Ca 0.01 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.54 3mka s THR 302 Cb -0.01 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.34 3mka s THR 302 CO -0.10 0.39 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.44 3mka s ILE 303 N 1.01 1.32 0.25 1.82 1.01 0.01 -2.74 121.20 123.88 3mka s ILE 303 Ca -0.07 -0.62 0.11 0.00 0.00 0.00 0.00 60.65 60.07 3mka s ILE 303 Cb -0.15 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 3mka s ILE 303 CO -0.01 0.39 -0.17 0.68 0.00 0.00 0.00 174.94 175.83 3mka s VAL 304 N 0.34 2.68 -0.17 2.92 -7.23 0.00 -0.99 120.40 117.95 3mka s VAL 304 Ca -0.10 -2.17 -0.12 0.00 -1.81 0.00 0.00 61.98 57.78 3mka s VAL 304 Cb -0.14 -2.38 0.05 0.00 0.56 0.00 0.00 36.38 34.48 3mka s VAL 304 CO 0.03 -0.31 0.44 0.00 -0.31 0.00 0.00 175.10 174.95 3mka s ALA 305 N -2.22 -1.10 0.05 1.32 0.00 -0.39 -1.41 121.76 118.02 3mka s ALA 305 Ca 0.28 1.44 -0.03 0.00 0.00 0.00 0.00 51.96 53.64 3mka s ALA 305 Cb -0.06 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 3mka s ALA 305 CO 0.15 -0.24 0.02 -0.48 0.00 0.00 0.00 175.76 175.21 3mka s LEU 306 N 0.88 2.20 -0.15 0.00 0.05 -0.58 -1.12 118.68 119.96 3mka s LEU 306 Ca -0.05 -0.86 -0.08 0.00 0.05 0.00 0.00 54.13 53.19 3mka s LEU 306 Cb -0.06 0.39 -0.04 0.00 -2.05 0.00 0.00 46.19 44.43 3mka s LEU 306 CO -0.07 -0.60 0.13 -0.54 -0.55 0.00 0.00 176.35 174.72 3mka s LYS 307 N -3.65 3.74 0.18 1.48 1.02 0.28 -0.92 119.74 121.86 3mka s LYS 307 Ca 0.04 -0.19 0.06 0.00 0.02 0.00 0.00 55.97 55.91 3mka s LYS 307 Cb 0.06 -3.26 -0.05 0.00 -0.52 0.00 0.00 37.83 34.06 3mka s LYS 307 CO -0.09 0.57 -0.12 1.52 -0.92 0.00 0.00 175.35 176.30 3mka s TYR 308 N -0.42 1.50 0.16 3.18 -0.85 -0.55 -4.96 117.35 115.41 3mka s TYR 308 Ca 0.12 -0.66 -0.33 0.00 -0.52 0.00 0.00 57.07 55.68 3mka s TYR 308 Cb -0.12 -0.72 -0.12 0.00 0.38 0.00 0.00 41.96 41.38 3mka s TYR 308 CO 0.01 0.23 1.71 -2.30 -1.52 0.00 0.00 175.55 173.69 3mka n PRO 309 N -0.29 2.56 -1.77 -3.49 -0.02 -1.26 -0.47 135.00 130.25 3mka n PRO 309 Ca -0.09 0.93 -0.18 0.00 -2.02 0.00 0.00 63.50 62.14 3mka n PRO 309 Cb 0.60 -2.76 -0.05 0.00 -0.02 0.00 0.00 33.50 31.27 3mka n PRO 309 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mka n GLY 310 N 3.88 1.07 3.81 -1.23 0.00 -0.38 -4.79 105.19 107.55 3mka n GLY 310 Ca 0.17 -0.16 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 3mka n GLY 310 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mka s GLY 311 N -2.62 -0.15 -0.04 -0.02 0.00 0.38 -4.07 107.32 100.80 3mka s GLY 311 Ca 0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 44.72 44.46 3mka s GLY 311 CO 0.00 -0.05 0.30 0.54 0.00 0.00 0.00 173.10 173.89 3mka s VAL 312 N -3.67 0.04 0.07 1.40 0.11 -0.64 -1.49 120.40 116.23 3mka s VAL 312 Ca 0.11 -0.37 0.04 0.00 -2.93 0.00 0.00 61.98 58.84 3mka s VAL 312 Cb -0.04 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 3mka s VAL 312 CO 0.05 -0.20 -0.12 0.54 -3.33 0.00 0.00 175.10 172.04 3mka s VAL 313 N -0.93 0.94 -0.06 2.04 0.11 -0.10 -1.35 120.40 121.05 3mka s VAL 313 Ca -0.10 -1.35 -0.04 0.00 -2.93 0.00 0.00 61.98 57.56 3mka s VAL 313 Cb -0.05 -1.05 0.03 0.00 -1.53 0.00 0.00 36.38 33.78 3mka s VAL 313 CO 0.03 -0.35 0.14 -0.32 -3.33 0.00 0.00 175.10 171.27 3mka s MET 314 N -2.00 0.13 0.03 1.54 1.75 -0.35 -1.52 119.30 118.88 3mka s MET 314 Ca -0.02 0.28 -0.02 0.00 -1.25 0.00 0.00 55.69 54.68 3mka s MET 314 Cb -0.08 -0.04 -0.02 0.00 2.84 0.00 0.00 34.83 37.53 3mka s MET 314 CO 0.01 -0.09 0.01 0.00 -0.65 0.00 0.00 175.02 174.31 3mka s ALA 315 N 0.58 0.15 0.03 4.11 0.00 -0.50 -1.14 121.76 125.00 3mka s ALA 315 Ca -0.04 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.16 3mka s ALA 315 Cb -0.06 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 3mka s ALA 315 CO -0.03 -0.27 0.04 0.20 0.00 0.00 0.00 175.76 175.71 3mka s GLY 316 N -2.05 0.24 0.91 0.00 0.00 -0.66 -0.82 107.32 104.95 3mka s GLY 316 Ca -0.06 -0.68 -0.14 0.00 0.00 0.00 0.00 44.72 43.84 3mka s GLY 316 CO -0.04 -0.79 1.27 0.51 0.00 0.00 0.00 173.10 174.04 3mka s ASP 317 N -2.07 3.45 0.00 1.64 1.47 -1.11 -2.08 116.67 117.98 3mka s ASP 317 Ca -0.06 0.29 0.08 0.00 1.18 0.00 0.00 52.55 54.04 3mka s ASP 317 Cb -0.02 -0.43 0.05 0.00 -0.34 0.00 0.00 42.92 42.18 3mka s ASP 317 CO -0.04 -2.52 0.72 0.54 0.68 0.00 0.00 175.17 174.54 3mka n ARG 318 N -3.60 0.51 -2.80 2.11 5.12 -1.26 -4.58 116.66 112.16 3mka n ARG 318 Ca 0.14 -0.90 -0.34 0.00 -1.93 0.00 0.00 57.85 54.82 3mka n ARG 318 Cb 0.60 -1.13 -0.07 0.00 -1.16 0.00 0.00 32.46 30.70 3mka n ARG 318 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3mka s ARG 319 N -0.76 4.30 -0.03 5.56 3.52 -1.26 -1.76 118.95 128.52 3mka s ARG 319 Ca 0.09 1.19 0.02 0.00 -0.13 0.00 0.00 55.73 56.89 3mka s ARG 319 Cb 0.07 -2.33 0.01 0.00 -1.56 0.00 0.00 34.95 31.14 3mka s ARG 319 CO 0.12 0.03 -0.06 0.45 -0.81 0.00 0.00 175.30 175.02 3mka s SER 320 N -2.03 0.99 0.09 -2.12 0.15 -0.00 -4.61 113.70 106.16 3mka s SER 320 Ca 0.59 -0.15 0.06 0.00 0.70 0.00 0.00 55.95 57.15 3mka s SER 320 Cb -0.12 -0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 63.81 3mka s SER 320 CO 0.16 0.01 -0.15 0.42 1.20 0.00 0.00 173.24 174.89 3mka s THR 321 N 0.48 1.23 -0.37 6.45 -4.23 -0.65 0.64 115.64 119.19 3mka s THR 321 Ca -0.07 -1.48 0.02 0.00 -1.18 0.00 0.00 61.69 58.98 3mka s THR 321 Cb -0.10 -1.28 0.11 0.00 1.34 0.00 0.00 72.50 72.56 3mka s THR 321 CO 0.00 -0.29 0.13 -1.10 -0.54 0.00 0.00 174.62 172.83 3mka s GLN 322 N -2.12 1.26 6.94 3.99 -0.21 0.24 -1.99 119.66 127.77 3mka s GLN 322 Ca 0.03 -1.74 0.00 0.00 0.02 0.00 0.00 55.36 53.67 3mka s GLN 322 Cb -0.08 -2.65 0.00 0.00 1.00 0.00 0.00 33.01 31.28 3mka s GLN 322 CO 0.03 -1.02 0.00 0.41 -2.12 0.00 0.00 175.29 172.58 3mka n GLY 323 N 4.15 1.61 0.01 3.09 0.00 -1.26 -2.09 105.19 110.71 3mka n GLY 323 Ca 0.03 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.68 3mka n GLY 323 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mka n ASN 324 N 7.20 0.68 -4.77 1.61 3.02 -1.26 -4.93 115.26 116.82 3mka n ASN 324 Ca 0.00 -0.46 -0.39 0.00 -0.03 0.00 0.00 54.58 53.71 3mka n ASN 324 Cb 0.00 0.74 -0.06 0.00 -0.61 0.00 0.00 39.78 39.85 3mka n ASN 324 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3mka s MET 325 N -3.09 4.72 -0.35 3.52 -1.94 -0.89 -5.00 119.30 116.28 3mka s MET 325 Ca 0.07 1.40 -0.25 0.00 -1.71 0.00 0.00 55.69 55.20 3mka s MET 325 Cb 0.16 -3.06 0.01 0.00 2.01 0.00 0.00 34.83 33.95 3mka s MET 325 CO 0.80 0.41 0.90 0.42 -0.01 0.00 0.00 175.02 177.54 3mka s ILE 326 N -1.38 4.64 -0.13 2.53 1.01 -1.26 -0.59 121.20 126.02 3mka s ILE 326 Ca 0.45 1.23 0.20 0.00 0.00 0.00 0.00 60.65 62.53 3mka s ILE 326 Cb -0.22 -4.29 -0.18 0.00 0.01 0.00 0.00 42.46 37.78 3mka s ILE 326 CO 0.28 -0.45 0.67 -1.54 0.00 0.00 0.00 174.94 173.90 3mka n SER 327 N 6.61 0.48 -3.68 3.58 3.41 0.21 -4.92 113.62 119.30 3mka n SER 327 Ca 0.06 0.20 -0.15 0.00 -0.26 0.00 0.00 58.87 58.73 3mka n SER 327 Cb 0.48 0.91 -0.08 0.00 -0.26 0.00 0.00 64.21 65.26 3mka n SER 327 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3mka s GLY 328 N -4.70 -0.31 0.00 5.00 0.00 -0.84 -4.93 107.32 101.55 3mka s GLY 328 Ca -0.05 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.46 3mka s GLY 328 CO 0.84 0.54 0.58 -0.96 0.00 0.00 0.00 173.10 174.10 3mka n ARG 329 N 1.46 0.73 0.00 2.90 1.85 -1.26 -0.82 116.66 121.52 3mka n ARG 329 Ca -0.19 -0.75 0.00 0.00 -1.00 0.00 0.00 57.85 55.91 3mka n ARG 329 Cb 0.56 -0.81 0.00 0.00 -1.05 0.00 0.00 32.46 31.17 3mka n ARG 329 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 3mka n ASP 330 N -0.17 0.74 -4.59 2.89 5.75 -1.16 -4.63 116.55 115.38 3mka n ASP 330 Ca 0.00 -0.95 -0.55 0.00 -0.01 0.00 0.00 54.79 53.28 3mka n ASP 330 Cb 0.23 0.07 -0.07 0.00 -1.03 0.00 0.00 41.12 40.32 3mka n ASP 330 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3mka n VAL 331 N -0.07 0.04 -3.74 2.12 0.31 -0.72 -4.97 118.33 111.30 3mka n VAL 331 Ca 0.00 -0.01 -0.35 0.00 -0.01 0.00 0.00 64.34 63.97 3mka n VAL 331 Cb 0.04 -0.65 -0.08 0.00 -0.91 0.00 0.00 33.84 32.24 3mka n VAL 331 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3mka s ARG 332 N 0.86 4.18 0.00 5.55 3.52 -1.26 -4.25 118.95 127.55 3mka s ARG 332 Ca 0.89 -0.22 0.00 0.00 -0.13 0.00 0.00 55.73 56.26 3mka s ARG 332 Cb -1.07 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 28.91 3mka s ARG 332 CO 0.53 0.30 0.32 1.63 -0.81 0.00 0.00 175.30 177.28 3mka n LYS 333 N 3.51 0.76 -4.43 5.12 5.02 -1.26 -4.98 118.16 121.89 3mka n LYS 333 Ca -0.16 -0.32 -0.33 0.00 -2.02 0.00 0.00 58.31 55.48 3mka n LYS 333 Cb 0.52 -0.80 -0.16 0.00 -0.02 0.00 0.00 35.03 34.57 3mka n LYS 333 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3mka s VAL 334 N -0.20 2.44 -0.01 -0.18 1.01 -1.26 -2.48 120.40 119.71 3mka s VAL 334 Ca 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3mka s VAL 334 Cb 0.00 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 3mka s VAL 334 CO 0.00 0.52 -0.10 -0.31 0.00 0.00 0.00 175.10 175.21 3mka s TYR 335 N 0.97 0.95 -0.08 5.22 2.02 -0.60 -4.97 117.35 120.86 3mka s TYR 335 Ca -0.03 -0.19 -0.30 0.00 -0.37 0.00 0.00 57.07 56.18 3mka s TYR 335 Cb -0.15 -0.63 -0.02 0.00 -0.40 0.00 0.00 41.96 40.76 3mka s TYR 335 CO -0.03 -0.03 1.14 0.42 -1.57 0.00 0.00 175.55 175.47 3mka s ILE 336 N -0.17 4.43 -0.60 2.71 1.01 -1.26 -0.81 121.20 126.51 3mka s ILE 336 Ca 0.03 1.74 0.16 0.00 0.00 0.00 0.00 60.65 62.57 3mka s ILE 336 Cb -0.05 -4.12 -0.18 0.00 0.01 0.00 0.00 42.46 38.12 3mka s ILE 336 CO -0.00 -0.01 0.60 0.35 0.00 0.00 0.00 174.94 175.88 3mka n THR 337 N 4.63 0.00 -3.83 2.92 -2.24 0.53 -4.93 114.28 111.36 3mka n THR 337 Ca 0.10 -0.18 -0.01 0.00 -2.27 0.00 0.00 64.05 61.69 3mka n THR 337 Cb 0.47 0.84 0.01 0.00 -2.10 0.00 0.00 70.33 69.54 3mka n THR 337 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3mka s ASP 338 N -2.72 -0.04 0.67 3.42 1.47 -1.19 -4.58 116.67 113.69 3mka s ASP 338 Ca 0.04 -0.43 0.39 0.00 1.18 0.00 0.00 52.55 53.73 3mka s ASP 338 Cb 0.11 0.36 2.14 0.00 -0.34 0.00 0.00 42.92 45.20 3mka s ASP 338 CO 0.64 -0.71 2.21 0.44 0.68 0.00 0.00 175.17 178.44 3mka h ASP 339 N 2.00 0.00 0.00 2.11 3.32 -1.96 -2.97 116.42 118.93 3mka h ASP 339 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3mka h ASP 339 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3mka h ASP 339 CO 0.32 0.00 -0.18 -1.22 -1.72 0.00 0.00 179.24 176.44 3mka n TYR 340 N -3.04 0.00 -3.74 4.55 4.01 -1.26 -0.47 117.16 117.21 3mka n TYR 340 Ca -0.03 -0.59 -0.12 0.00 -0.16 0.00 0.00 57.90 57.00 3mka n TYR 340 Cb 0.18 -0.10 -0.08 0.00 -0.31 0.00 0.00 39.34 39.03 3mka n TYR 340 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3mka s THR 341 N -1.67 0.07 0.04 -0.72 -4.23 -1.12 -1.20 115.64 106.80 3mka s THR 341 Ca 0.18 -0.57 -0.02 0.00 -1.18 0.00 0.00 61.69 60.11 3mka s THR 341 Cb 0.16 -0.83 -0.03 0.00 1.34 0.00 0.00 72.50 73.14 3mka s THR 341 CO 0.02 -0.31 -0.00 0.00 -0.54 0.00 0.00 174.62 173.78 3mka s ALA 342 N -2.08 0.23 0.02 3.99 0.00 0.73 -0.35 121.76 124.29 3mka s ALA 342 Ca -0.08 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.10 3mka s ALA 342 Cb -0.02 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 3mka s ALA 342 CO -0.00 -0.28 -0.14 0.95 0.00 0.00 0.00 175.76 176.29 3mka s THR 343 N -2.67 1.10 -0.09 0.00 -4.23 0.01 -0.76 115.64 109.00 3mka s THR 343 Ca -0.05 -0.80 0.03 0.00 -1.18 0.00 0.00 61.69 59.69 3mka s THR 343 Cb -0.01 -0.96 0.01 0.00 1.34 0.00 0.00 72.50 72.88 3mka s THR 343 CO -0.05 0.15 -0.18 -0.83 -0.54 0.00 0.00 174.62 173.17 3mka s GLY 344 N -0.74 1.08 -0.08 3.99 0.00 -0.56 -1.56 107.32 109.45 3mka s GLY 344 Ca 0.03 -0.72 0.05 0.00 0.00 0.00 0.00 44.72 44.08 3mka s GLY 344 CO 0.00 -0.06 -0.23 -0.42 0.00 0.00 0.00 173.10 172.40 3mka s ILE 345 N 0.58 1.94 -0.10 0.90 1.01 -1.04 -0.16 121.20 124.33 3mka s ILE 345 Ca -0.15 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.55 3mka s ILE 345 Cb -0.17 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 3mka s ILE 345 CO 0.05 0.54 -0.15 0.00 0.00 0.00 0.00 174.94 175.38 3mka s ALA 346 N 0.19 2.57 0.00 9.38 0.00 -0.87 -4.93 121.76 128.11 3mka s ALA 346 Ca -0.13 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3mka s ALA 346 Cb -0.16 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.88 3mka s ALA 346 CO 0.06 0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.59 3mka n GLY 347 N 3.12 0.54 3.73 0.00 0.00 -1.26 -0.52 105.19 110.80 3mka n GLY 347 Ca -0.18 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 3mka n GLY 347 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mka s THR 348 N -4.00 2.43 0.18 2.61 2.01 -0.53 -2.99 115.64 115.35 3mka s THR 348 Ca 0.00 0.32 -0.11 0.00 0.31 0.00 0.00 61.69 62.20 3mka s THR 348 Cb 0.00 -3.20 0.09 0.00 0.01 0.00 0.00 72.50 69.39 3mka s THR 348 CO 0.00 0.03 1.74 0.00 -0.69 0.00 0.00 174.62 175.70 3mka h ALA 349 N 6.32 0.81 -0.34 7.40 0.00 -1.63 -0.52 119.26 131.29 3mka h ALA 349 Ca -0.44 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 3mka h ALA 349 Cb 1.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3mka h ALA 349 CO 0.89 0.42 0.20 0.00 0.00 0.00 0.00 179.25 180.76 3mka h ALA 350 N 1.10 0.43 -0.67 0.00 0.00 -1.90 -0.84 119.26 117.37 3mka h ALA 350 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3mka h ALA 350 Cb 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3mka h ALA 350 CO -0.02 -0.07 0.34 0.28 0.00 0.00 0.00 179.25 179.79 3mka h VAL 351 N 0.44 1.22 -0.51 0.00 2.07 -1.87 -1.03 116.25 116.57 3mka h VAL 351 Ca 0.12 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3mka h VAL 351 Cb 0.01 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3mka h VAL 351 CO -0.02 0.25 0.23 0.00 0.02 0.00 0.00 177.57 178.05 3mka h ALA 352 N 1.16 0.66 -0.66 1.67 0.00 -0.64 -0.47 119.26 120.99 3mka h ALA 352 Ca 0.23 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3mka h ALA 352 Cb 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3mka h ALA 352 CO -0.03 0.24 0.18 -0.24 0.00 0.00 0.00 179.25 179.39 3mka h VAL 353 N 0.68 1.25 -0.52 0.00 3.04 -0.81 -1.07 116.25 118.82 3mka h VAL 353 Ca 0.17 -0.91 -0.00 0.00 -1.01 0.00 0.00 66.70 64.96 3mka h VAL 353 Cb 0.14 0.59 -0.03 0.00 -2.01 0.00 0.00 31.29 29.99 3mka h VAL 353 CO -0.02 0.35 0.32 -0.33 -1.01 0.00 0.00 177.57 176.87 3mka h GLU 354 N 0.96 0.71 -0.57 4.17 4.39 -0.79 -1.37 114.58 122.08 3mka h GLU 354 Ca 0.21 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.82 3mka h GLU 354 Cb 0.33 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 3mka h GLU 354 CO -0.00 0.51 0.23 0.74 -1.16 0.00 0.00 179.01 179.33 3mka h PHE 355 N 0.70 0.85 -0.70 4.33 -1.00 -0.69 -0.11 116.94 120.33 3mka h PHE 355 Ca 0.19 -0.06 -0.00 0.00 2.81 0.00 0.00 57.97 60.90 3mka h PHE 355 Cb -0.02 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.25 3mka h PHE 355 CO -0.03 0.69 0.42 0.00 -1.61 0.00 0.00 178.31 177.78 3mka h ALA 356 N 1.08 0.89 -0.47 2.45 0.00 -0.76 -1.48 119.26 120.97 3mka h ALA 356 Ca 0.19 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3mka h ALA 356 Cb 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3mka h ALA 356 CO -0.02 0.35 -0.01 -0.09 0.00 0.00 0.00 179.25 179.49 3mka h ARG 357 N 0.95 0.84 -0.62 0.00 2.43 -0.84 -3.16 114.38 113.98 3mka h ARG 357 Ca 0.25 -0.27 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 3mka h ARG 357 Cb -0.04 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 3mka h ARG 357 CO -0.05 0.89 0.15 1.25 -1.51 0.00 0.00 179.97 180.70 3mka h LEU 358 N 0.69 0.94 -1.13 3.80 5.85 -0.63 -3.07 115.31 121.76 3mka h LEU 358 Ca 0.13 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 3mka h LEU 358 Cb 0.52 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3mka h LEU 358 CO 0.03 0.93 -0.26 0.22 -0.34 0.00 0.00 178.44 179.02 3mka h TYR 359 N 0.90 0.32 -0.10 1.25 3.20 -1.33 -1.65 116.97 119.57 3mka h TYR 359 Ca 0.19 -0.06 -0.19 0.00 3.14 0.00 0.00 58.73 61.81 3mka h TYR 359 Cb 0.36 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 3mka h TYR 359 CO 0.03 0.53 -0.73 0.00 -1.64 0.00 0.00 178.16 176.35 3mka h ALA 360 N 1.48 0.54 -0.16 1.82 0.00 -1.50 -1.97 119.26 119.47 3mka h ALA 360 Ca 0.04 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 3mka h ALA 360 Cb 0.60 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3mka h ALA 360 CO 0.04 0.74 0.00 0.28 0.00 0.00 0.00 179.25 180.32 3mka h VAL 361 N 0.34 1.25 -0.92 0.00 2.07 -1.42 -2.40 116.25 115.17 3mka h VAL 361 Ca -0.03 -0.83 0.12 0.00 0.82 0.00 0.00 66.70 66.77 3mka h VAL 361 Cb 1.31 1.50 -0.08 0.00 -1.52 0.00 0.00 31.29 32.50 3mka h VAL 361 CO 0.13 0.25 0.54 -0.08 0.02 0.00 0.00 177.57 178.43 3mka h GLU 362 N 0.02 0.83 -0.05 1.57 4.57 -1.21 0.21 114.58 120.52 3mka h GLU 362 Ca 0.04 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3mka h GLU 362 Cb 0.37 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 3mka h GLU 362 CO 0.01 0.55 0.00 -0.07 -1.18 0.00 0.00 179.01 178.31 3mka h LEU 363 N 0.85 0.08 -1.10 1.64 4.07 -1.22 -2.84 115.31 116.79 3mka h LEU 363 Ca 0.46 -0.30 -0.09 0.00 0.08 0.00 0.00 57.88 58.03 3mka h LEU 363 Cb 0.50 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 3mka h LEU 363 CO -0.28 0.36 -0.41 -0.08 -1.08 0.00 0.00 178.44 176.96 3mka h GLU 364 N -0.21 0.00 -0.27 1.13 4.81 -0.94 -2.81 114.58 116.29 3mka h GLU 364 Ca 0.01 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3mka h GLU 364 Cb 0.32 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3mka h GLU 364 CO 0.00 0.41 0.03 1.25 -0.73 0.00 0.00 179.01 179.97 3mka h HIS 365 N 0.00 0.49 -0.86 0.92 2.76 -0.58 -1.83 115.15 116.05 3mka h HIS 365 Ca -0.00 -0.07 -0.03 0.00 -2.20 0.00 0.00 60.37 58.07 3mka h HIS 365 Cb 0.81 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.59 3mka h HIS 365 CO 0.00 0.58 0.43 -0.92 -1.30 0.00 0.00 177.93 176.72 3mka h TYR 366 N 0.27 1.23 -0.65 5.26 3.20 -1.32 -0.89 116.97 124.06 3mka h TYR 366 Ca 0.08 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 3mka h TYR 366 Cb 0.36 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 3mka h TYR 366 CO 0.03 0.87 0.13 1.49 -1.64 0.00 0.00 178.16 179.04 3mka h GLU 367 N 1.22 1.04 -0.19 1.82 4.81 -1.28 0.08 114.58 122.08 3mka h GLU 367 Ca 0.30 -0.25 -0.19 0.00 -0.13 0.00 0.00 59.36 59.09 3mka h GLU 367 Cb 0.09 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3mka h GLU 367 CO -0.04 0.94 -0.64 0.87 -0.73 0.00 0.00 179.01 179.41 3mka h LYS 368 N 0.98 0.69 -0.24 1.92 1.57 -1.01 0.44 116.57 120.91 3mka h LYS 368 Ca 0.20 -0.49 -0.16 0.00 -1.87 0.00 0.00 60.65 58.34 3mka h LYS 368 Cb 0.38 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3mka h LYS 368 CO 0.01 1.11 -0.49 -0.07 -0.57 0.00 0.00 179.45 179.43 3mka h LEU 369 N 0.51 0.73 -1.21 2.94 3.38 -0.97 -3.29 115.31 117.39 3mka h LEU 369 Ca -0.01 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3mka h LEU 369 Cb 1.23 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3mka h LEU 369 CO 0.13 1.10 -0.22 -0.62 0.09 0.00 0.00 178.44 178.92 3mka n GLU 370 N -4.00 1.57 -0.80 1.13 -0.58 -0.00 -4.97 120.64 113.00 3mka n GLU 370 Ca -0.03 -1.12 0.00 0.00 -0.42 0.00 0.00 57.16 55.59 3mka n GLU 370 Cb 0.58 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.13 3mka n GLU 370 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mka n GLY 371 N 1.12 0.48 3.12 0.62 0.00 0.15 -4.94 105.19 105.74 3mka n GLY 371 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 3mka n GLY 371 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mka s VAL 372 N -2.39 0.01 0.70 1.61 0.11 -1.17 -4.98 120.40 114.29 3mka s VAL 372 Ca 0.00 -0.07 -0.14 0.00 -2.93 0.00 0.00 61.98 58.84 3mka s VAL 372 Cb 0.00 -0.35 0.02 0.00 -1.53 0.00 0.00 36.38 34.52 3mka s VAL 372 CO 0.00 -0.04 1.12 -2.16 -3.33 0.00 0.00 175.10 170.69 3mka s PRO 373 N -0.04 2.55 0.74 1.54 0.04 -1.26 -4.20 135.00 134.36 3mka s PRO 373 Ca -0.02 1.41 -0.14 0.00 0.04 0.00 0.00 61.00 62.29 3mka s PRO 373 Cb -0.02 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.65 3mka s PRO 373 CO 0.01 -1.45 1.17 -1.17 0.04 0.00 0.00 177.00 175.59 3mka s LEU 374 N -5.16 3.25 0.82 -3.56 2.96 -1.26 -5.00 118.68 110.73 3mka s LEU 374 Ca 0.67 2.21 -0.12 0.00 -0.22 0.00 0.00 54.13 56.67 3mka s LEU 374 Cb -0.21 -4.57 0.08 0.00 0.50 0.00 0.00 46.19 41.99 3mka s LEU 374 CO 0.45 -2.21 1.10 0.42 -1.32 0.00 0.00 176.35 174.80 3mka s THR 375 N -2.23 2.91 0.12 3.68 -4.23 -1.26 -4.79 115.64 109.84 3mka s THR 375 Ca 0.71 0.29 -0.22 0.00 -1.18 0.00 0.00 61.69 61.29 3mka s THR 375 Cb -0.25 -3.02 -0.06 0.00 1.34 0.00 0.00 72.50 70.51 3mka s THR 375 CO 0.47 -0.38 1.70 0.15 -0.54 0.00 0.00 174.62 176.01 3mka h PHE 376 N -1.17 -0.21 -0.78 3.99 3.57 -1.97 -0.52 116.94 119.85 3mka h PHE 376 Ca -0.48 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.21 3mka h PHE 376 Cb 1.28 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 40.08 3mka h PHE 376 CO 0.44 -0.13 0.52 0.00 -2.23 0.00 0.00 178.31 176.91 3mka h ALA 377 N 0.97 2.22 -0.11 2.41 0.00 -1.99 0.23 119.26 122.98 3mka h ALA 377 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 3mka h ALA 377 Cb 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3mka h ALA 377 CO -0.16 -0.44 -0.61 0.78 0.00 0.00 0.00 179.25 178.82 3mka h GLY 378 N 0.35 0.43 1.09 0.00 0.00 -1.49 -1.51 103.07 101.95 3mka h GLY 378 Ca 0.39 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 3mka h GLY 378 CO -0.12 0.48 0.01 0.50 0.00 0.00 0.00 176.54 177.41 3mka h LYS 379 N 0.29 1.09 0.11 4.80 1.57 0.67 -1.78 116.57 123.33 3mka h LYS 379 Ca -0.01 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 3mka h LYS 379 Cb 1.14 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3mka h LYS 379 CO 0.10 1.05 -0.05 0.82 -0.57 0.00 0.00 179.45 180.80 3mka h ILE 380 N 0.99 0.95 -0.51 1.86 2.04 -1.16 -2.16 117.51 119.52 3mka h ILE 380 Ca 0.18 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.86 3mka h ILE 380 Cb 0.56 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 3mka h ILE 380 CO 0.03 0.06 0.34 -1.13 0.00 0.00 0.00 178.15 177.45 3mka h ASN 381 N -0.26 0.39 -0.18 1.72 -0.73 -1.06 -1.67 115.58 113.79 3mka h ASN 381 Ca -0.02 0.00 -0.22 0.00 1.87 0.00 0.00 56.30 57.94 3mka h ASN 381 Cb 0.21 -0.08 0.01 0.00 0.27 0.00 0.00 38.32 38.73 3mka h ASN 381 CO 0.03 0.26 -0.73 -0.09 -0.37 0.00 0.00 177.43 176.52 3mka h ARG 382 N 0.45 0.82 -0.64 6.67 9.65 -1.05 -2.57 114.38 127.70 3mka h ARG 382 Ca 0.22 -0.63 -0.05 0.00 -1.10 0.00 0.00 59.98 58.42 3mka h ARG 382 Cb 0.31 0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.98 3mka h ARG 382 CO -0.06 1.25 0.19 1.25 2.80 0.00 0.00 179.97 185.40 3mka h LEU 383 N 0.57 0.92 -0.87 3.80 5.85 -0.76 -2.56 115.31 122.25 3mka h LEU 383 Ca -0.04 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 3mka h LEU 383 Cb 1.36 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 3mka h LEU 383 CO 0.15 0.86 0.49 0.00 -0.34 0.00 0.00 178.44 179.61 3mka h ALA 384 N 1.26 1.11 -0.50 1.25 0.00 -1.23 -0.67 119.26 120.47 3mka h ALA 384 Ca 0.21 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3mka h ALA 384 Cb 0.28 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3mka h ALA 384 CO -0.01 0.60 0.02 0.82 0.00 0.00 0.00 179.25 180.68 3mka h ILE 385 N 1.20 1.26 -0.41 0.00 2.04 -1.21 -0.08 117.51 120.31 3mka h ILE 385 Ca 0.31 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 3mka h ILE 385 Cb -0.00 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3mka h ILE 385 CO -0.05 0.37 0.25 0.24 0.00 0.00 0.00 178.15 178.96 3mka h MET 386 N 0.74 0.56 0.30 2.37 2.86 -1.04 -0.72 114.93 120.00 3mka h MET 386 Ca 0.14 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3mka h MET 386 Cb 0.49 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3mka h MET 386 CO 0.02 0.41 -0.14 0.28 1.06 0.00 0.00 176.91 178.54 3mka h VAL 387 N 0.54 0.71 -0.79 -2.22 2.07 -0.96 -2.90 116.25 112.71 3mka h VAL 387 Ca 0.15 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.67 3mka h VAL 387 Cb -0.01 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 3mka h VAL 387 CO -0.03 0.01 0.52 -0.09 0.02 0.00 0.00 177.57 178.00 3mka h ARG 388 N -0.42 0.92 -0.08 1.57 2.43 -0.82 0.26 114.38 118.24 3mka h ARG 388 Ca -0.04 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3mka h ARG 388 Cb 0.32 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3mka h ARG 388 CO 0.07 0.61 0.00 0.41 -1.51 0.00 0.00 179.97 179.54 3mka n GLY 389 N -1.42 -0.50 0.02 2.80 0.00 -0.29 -1.95 105.19 103.84 3mka n GLY 389 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3mka n GLY 389 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3mka n ASN 390 N -0.43 1.38 -0.18 1.61 5.15 0.92 -4.75 115.26 118.96 3mka n ASN 390 Ca 0.00 -1.36 -0.01 0.00 -0.60 0.00 0.00 54.58 52.61 3mka n ASN 390 Cb 0.02 -0.00 0.09 0.00 -0.53 0.00 0.00 39.78 39.36 3mka n ASN 390 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3mka h LEU 391 N 0.07 0.07 -0.26 1.20 5.85 -1.42 0.14 115.31 120.96 3mka h LEU 391 Ca 0.00 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3mka h LEU 391 Cb 0.19 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3mka h LEU 391 CO 0.00 0.06 0.03 0.00 -0.34 0.00 0.00 178.44 178.18 3mka h ALA 392 N 1.42 0.25 -0.59 1.25 0.00 -1.85 -0.44 119.26 119.29 3mka h ALA 392 Ca 0.28 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 3mka h ALA 392 Cb 0.38 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3mka h ALA 392 CO -0.34 -0.39 0.17 0.00 0.00 0.00 0.00 179.25 178.70 3mka h ALA 393 N 1.20 0.78 0.00 0.00 0.00 -1.73 -2.83 119.26 116.69 3mka h ALA 393 Ca 0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3mka h ALA 393 Cb 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3mka h ALA 393 CO -0.18 0.46 -0.15 0.00 0.00 0.00 0.00 179.25 179.37 3mka h ALA 394 N 1.05 1.29 0.00 0.00 0.00 -0.13 -0.76 119.26 120.72 3mka h ALA 394 Ca 0.19 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3mka h ALA 394 Cb 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3mka h ALA 394 CO -0.00 0.19 -0.36 0.52 0.00 0.00 0.00 179.25 179.60 3mka h MET 395 N 0.00 0.00 -0.66 0.00 2.86 -0.84 -2.41 114.93 113.89 3mka h MET 395 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3mka h MET 395 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3mka h MET 395 CO 0.02 0.36 0.00 1.04 1.06 0.00 0.00 176.91 179.39 3mka n GLN 396 N -3.91 3.54 -0.05 1.72 6.02 -0.38 -4.91 117.38 119.40 3mka n GLN 396 Ca -0.02 -2.28 0.00 0.00 -0.01 0.00 0.00 57.00 54.70 3mka n GLN 396 Cb 0.42 -1.92 0.00 0.00 1.02 0.00 0.00 30.24 29.76 3mka n GLN 396 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mka n GLY 397 N 0.69 0.75 2.37 1.08 0.00 -0.90 -4.96 105.19 104.22 3mka n GLY 397 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 3mka n GLY 397 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mka n LEU 398 N 0.00 7.43 -4.78 0.99 4.77 -0.67 -4.77 117.00 119.97 3mka n LEU 398 Ca 0.00 -4.31 -0.37 0.00 -0.03 0.00 0.00 56.01 51.30 3mka n LEU 398 Cb 0.00 -1.39 -0.05 0.00 -2.33 0.00 0.00 43.42 39.65 3mka n LEU 398 CO 0.00 1.94 0.72 -0.22 -1.33 0.00 0.00 177.39 178.50 3mka s LEU 399 N -1.26 4.25 -0.21 2.23 2.96 -1.26 -3.83 118.68 121.57 3mka s LEU 399 Ca 0.61 2.03 -0.04 0.00 -0.22 0.00 0.00 54.13 56.50 3mka s LEU 399 Cb 0.25 -4.05 0.08 0.00 0.50 0.00 0.00 46.19 42.96 3mka s LEU 399 CO -0.10 -0.34 0.12 0.00 -1.32 0.00 0.00 176.35 174.72 3mka s ALA 400 N -1.57 0.35 -0.44 5.97 0.00 -1.26 -1.45 121.76 123.36 3mka s ALA 400 Ca 0.54 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 52.00 3mka s ALA 400 Cb -0.23 -1.18 0.10 0.00 0.00 0.00 0.00 23.12 21.81 3mka s ALA 400 CO 0.29 -1.30 0.29 -1.17 0.00 0.00 0.00 175.76 173.86 3mka s LEU 401 N 2.16 5.36 0.39 0.00 2.96 0.33 -4.96 118.68 124.92 3mka s LEU 401 Ca 0.04 -1.69 -0.11 0.00 -0.22 0.00 0.00 54.13 52.15 3mka s LEU 401 Cb -0.16 -1.99 -0.07 0.00 0.50 0.00 0.00 46.19 44.48 3mka s LEU 401 CO -0.17 -0.60 0.76 -2.16 -1.32 0.00 0.00 176.35 172.87 3mka s PRO 402 N 1.38 3.82 -0.08 0.98 0.04 -1.26 -2.04 135.00 137.84 3mka s PRO 402 Ca 0.04 0.50 0.03 0.00 0.04 0.00 0.00 61.00 61.62 3mka s PRO 402 Cb -0.24 -2.40 0.01 0.00 0.04 0.00 0.00 34.50 31.91 3mka s PRO 402 CO 0.01 0.00 -0.17 -1.17 0.04 0.00 0.00 177.00 175.71 3mka s LEU 403 N -3.68 1.82 -0.13 -3.56 2.96 0.77 -3.37 118.68 113.49 3mka s LEU 403 Ca 0.52 -0.41 -0.00 0.00 -0.22 0.00 0.00 54.13 54.02 3mka s LEU 403 Cb -0.10 -1.07 -0.01 0.00 0.50 0.00 0.00 46.19 45.51 3mka s LEU 403 CO 0.29 0.08 -0.13 -0.22 -1.32 0.00 0.00 176.35 175.05 3mka s LEU 404 N 0.55 2.72 -0.05 -0.68 2.96 0.39 -1.50 118.68 123.09 3mka s LEU 404 Ca -0.16 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 53.49 3mka s LEU 404 Cb -0.17 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 3mka s LEU 404 CO 0.06 0.17 -0.24 0.00 -1.32 0.00 0.00 176.35 175.01 3mka s ALA 405 N 0.35 2.03 0.16 5.97 0.00 0.06 -0.56 121.76 129.76 3mka s ALA 405 Ca -0.11 -0.99 -0.16 0.00 0.00 0.00 0.00 51.96 50.70 3mka s ALA 405 Cb -0.16 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.38 3mka s ALA 405 CO 0.06 0.42 0.45 0.20 0.00 0.00 0.00 175.76 176.88 3mka s GLY 406 N -0.24 -0.13 -0.12 0.00 0.00 -0.40 -0.19 107.32 106.24 3mka s GLY 406 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.53 3mka s GLY 406 CO 0.02 -0.32 -0.15 -0.47 0.00 0.00 0.00 173.10 172.18 3mka s TYR 407 N -3.85 2.77 -0.37 1.90 5.04 -0.34 0.91 117.35 123.40 3mka s TYR 407 Ca 0.07 -0.70 -0.14 0.00 -2.44 0.00 0.00 57.07 53.86 3mka s TYR 407 Cb 0.01 -1.82 -0.00 0.00 0.35 0.00 0.00 41.96 40.50 3mka s TYR 407 CO -0.07 -0.24 0.27 0.34 -1.34 0.00 0.00 175.55 174.51 3mka s ASP 408 N 0.33 6.09 0.29 4.32 2.15 -0.91 -4.88 116.67 124.05 3mka s ASP 408 Ca -0.12 -0.63 0.00 0.00 0.43 0.00 0.00 52.55 52.23 3mka s ASP 408 Cb -0.16 -2.15 0.44 0.00 -0.30 0.00 0.00 42.92 40.74 3mka s ASP 408 CO 0.06 -0.34 1.82 0.16 -0.17 0.00 0.00 175.17 176.71 3mka h ILE 409 N 5.56 1.22 -0.01 4.11 3.07 -1.98 -2.80 117.51 126.68 3mka h ILE 409 Ca -0.29 -0.85 0.00 0.00 1.55 0.00 0.00 64.86 65.27 3mka h ILE 409 Cb 1.14 0.79 0.00 0.00 -0.27 0.00 0.00 36.82 38.48 3mka h ILE 409 CO 0.68 0.31 -0.00 1.41 -1.05 0.00 0.00 178.15 179.49 3mka n HIS 410 N -4.26 0.00 -1.90 0.16 8.25 -1.26 -4.88 115.22 111.33 3mka n HIS 410 Ca 0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.09 3mka n HIS 410 Cb 0.25 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 3mka n HIS 410 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mka s ALA 411 N -2.00 3.34 0.22 -1.41 0.00 -1.06 -4.91 121.76 115.94 3mka s ALA 411 Ca 0.43 1.41 -0.07 0.00 0.00 0.00 0.00 51.96 53.73 3mka s ALA 411 Cb 0.22 -3.56 0.18 0.00 0.00 0.00 0.00 23.12 19.96 3mka s ALA 411 CO 0.35 -1.02 1.82 0.66 0.00 0.00 0.00 175.76 177.57 3mka h SER 412 N 2.66 1.11 -3.32 0.00 4.64 -1.90 -3.41 113.55 113.32 3mka h SER 412 Ca -0.50 -0.14 -0.66 0.00 -0.47 0.00 0.00 61.79 60.02 3mka h SER 412 Cb 1.25 -0.29 -0.27 0.00 -0.31 0.00 0.00 62.40 62.78 3mka h SER 412 CO 0.62 0.94 -0.76 -0.62 -0.87 0.00 0.00 176.83 176.14 3mka s ASP 413 N -6.29 4.00 0.25 4.97 2.15 -1.26 -5.02 116.67 115.48 3mka s ASP 413 Ca -0.13 -0.36 -0.04 0.00 0.43 0.00 0.00 52.55 52.45 3mka s ASP 413 Cb 0.16 -1.62 0.30 0.00 -0.30 0.00 0.00 42.92 41.45 3mka s ASP 413 CO 0.83 0.12 1.83 1.55 -0.17 0.00 0.00 175.17 179.34 3mka h PRO 414 N 7.01 1.05 -0.77 4.34 0.13 -1.95 -2.77 132.00 139.05 3mka h PRO 414 Ca -0.29 -0.17 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 3mka h PRO 414 Cb 1.20 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 32.11 3mka h PRO 414 CO 0.57 0.85 0.37 1.96 -0.23 0.00 0.00 178.00 181.51 3mka h GLN 415 N 1.03 1.09 -0.63 0.86 1.08 -1.94 -2.72 115.11 113.89 3mka h GLN 415 Ca 0.24 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3mka h GLN 415 Cb 0.18 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 3mka h GLN 415 CO -0.02 0.84 0.00 -1.13 -0.95 0.00 0.00 178.83 177.57 3mka n SER 416 N -4.32 3.76 -0.10 1.46 3.41 -1.14 -1.25 113.62 115.43 3mka n SER 416 Ca 0.07 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 3mka n SER 416 Cb 0.14 -0.48 0.29 0.00 -0.26 0.00 0.00 64.21 63.89 3mka n SER 416 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mka h ALA 417 N 4.02 1.44 -2.96 7.33 0.00 -1.20 -3.45 119.26 124.45 3mka h ALA 417 Ca 0.00 -0.11 -0.54 0.00 0.00 0.00 0.00 54.91 54.26 3mka h ALA 417 Cb 1.07 -0.22 0.11 0.00 0.00 0.00 0.00 17.79 18.75 3mka h ALA 417 CO 0.11 0.44 0.73 0.20 0.00 0.00 0.00 179.25 180.73 3mka s GLY 418 N -3.60 2.93 0.01 0.00 0.00 -1.26 -2.15 107.32 103.25 3mka s GLY 418 Ca -0.09 1.49 0.04 0.00 0.00 0.00 0.00 44.72 46.16 3mka s GLY 418 CO 0.77 2.14 -0.14 0.50 0.00 0.00 0.00 173.10 176.37 3mka s ARG 419 N -2.27 1.00 -0.08 2.90 1.81 0.26 -4.93 118.95 117.63 3mka s ARG 419 Ca 0.57 -0.61 0.01 0.00 -1.72 0.00 0.00 55.73 53.97 3mka s ARG 419 Cb -0.44 -0.98 0.02 0.00 -0.45 0.00 0.00 34.95 33.09 3mka s ARG 419 CO 0.59 0.26 -0.08 0.42 -0.68 0.00 0.00 175.30 175.80 3mka s ILE 420 N -0.58 0.92 -0.03 1.52 1.01 -1.26 -1.27 121.20 121.51 3mka s ILE 420 Ca 0.03 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.43 3mka s ILE 420 Cb -0.06 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.49 3mka s ILE 420 CO 0.00 0.33 -0.12 -0.69 0.00 0.00 0.00 174.94 174.46 3mka s VAL 421 N 1.27 1.03 0.21 2.92 1.01 0.27 -1.94 120.40 125.18 3mka s VAL 421 Ca -0.04 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.55 3mka s VAL 421 Cb -0.14 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 3mka s VAL 421 CO -0.03 0.31 -0.13 -0.94 0.00 0.00 0.00 175.10 174.31 3mka s SER 422 N 0.15 3.99 -0.02 3.32 1.04 -0.71 -0.46 113.70 121.01 3mka s SER 422 Ca -0.04 -0.74 0.05 0.00 0.48 0.00 0.00 55.95 55.71 3mka s SER 422 Cb -0.10 -0.56 -0.01 0.00 0.10 0.00 0.00 66.02 65.46 3mka s SER 422 CO 0.01 0.08 -0.17 -0.36 0.98 0.00 0.00 173.24 173.78 3mka s PHE 423 N -1.94 1.61 0.65 5.02 0.08 -1.22 -1.35 117.98 120.84 3mka s PHE 423 Ca 0.26 -0.36 -0.02 0.00 0.12 0.00 0.00 56.93 56.93 3mka s PHE 423 Cb -0.08 -1.06 0.07 0.00 -0.57 0.00 0.00 43.02 41.39 3mka s PHE 423 CO 0.15 -0.08 0.91 0.16 -0.10 0.00 0.00 175.22 176.26 3mka s ASP 424 N -0.24 4.83 0.30 1.36 1.47 -0.01 -4.72 116.67 119.67 3mka s ASP 424 Ca 0.03 0.02 0.22 0.00 1.18 0.00 0.00 52.55 54.00 3mka s ASP 424 Cb -0.08 -0.68 1.10 0.00 -0.34 0.00 0.00 42.92 42.92 3mka s ASP 424 CO 0.00 -1.51 1.68 0.00 0.68 0.00 0.00 175.17 176.02 3mka n ALA 425 N -2.67 1.25 0.36 2.11 0.00 -1.26 -1.60 120.51 118.70 3mka n ALA 425 Ca 0.10 0.16 0.10 0.00 0.00 0.00 0.00 53.44 53.81 3mka n ALA 425 Cb 0.60 -1.34 0.27 0.00 0.00 0.00 0.00 19.45 18.98 3mka n ALA 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mka n ALA 426 N -1.78 2.43 -0.18 0.00 0.00 -1.26 -4.46 120.51 115.27 3mka n ALA 426 Ca -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.50 3mka n ALA 426 Cb 0.10 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3mka n ALA 426 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mka n GLY 427 N 1.41 0.96 3.76 0.00 0.00 -0.63 -4.51 105.19 106.19 3mka n GLY 427 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3mka n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mka s GLY 428 N -1.73 2.46 0.16 -0.02 0.00 -1.26 -4.76 107.32 102.18 3mka s GLY 428 Ca 0.00 1.52 0.10 0.00 0.00 0.00 0.00 44.72 46.34 3mka s GLY 428 CO 0.00 2.38 -0.22 0.66 0.00 0.00 0.00 173.10 175.91 3mka s TRP 429 N -0.43 2.10 -0.02 1.90 1.48 -1.26 -0.83 118.94 121.87 3mka s TRP 429 Ca 0.58 -0.40 -0.03 0.00 -1.06 0.00 0.00 56.10 55.20 3mka s TRP 429 Cb -0.46 -1.07 0.00 0.00 -1.16 0.00 0.00 33.47 30.79 3mka s TRP 429 CO 0.52 0.39 0.07 1.21 -4.06 0.00 0.00 176.95 175.08 3mka s ASN 430 N -2.46 -0.05 -0.17 -2.66 2.47 -0.45 -4.97 114.94 106.65 3mka s ASN 430 Ca 0.16 0.08 -0.09 0.00 0.42 0.00 0.00 52.86 53.44 3mka s ASN 430 Cb -0.08 0.15 -0.05 0.00 -1.45 0.00 0.00 41.25 39.82 3mka s ASN 430 CO 0.08 -0.06 0.13 -0.63 -3.72 0.00 0.00 177.10 172.90 3mka s ILE 431 N -0.13 5.43 -0.42 -5.21 1.01 -1.26 -1.74 121.20 118.87 3mka s ILE 431 Ca -0.02 0.19 -0.26 0.00 0.00 0.00 0.00 60.65 60.57 3mka s ILE 431 Cb -0.01 -3.43 0.02 0.00 0.01 0.00 0.00 42.46 39.04 3mka s ILE 431 CO 0.00 0.51 0.92 -1.61 0.00 0.00 0.00 174.94 174.76 3mka s GLU 432 N -0.16 3.66 0.31 2.79 0.41 -0.82 -4.87 118.70 120.03 3mka s GLU 432 Ca 0.10 0.33 0.19 0.00 -0.41 0.00 0.00 54.97 55.19 3mka s GLU 432 Cb -0.11 -3.87 0.15 0.00 -1.78 0.00 0.00 34.13 28.51 3mka s GLU 432 CO 0.00 -1.11 1.40 0.93 -0.49 0.00 0.00 175.26 176.00 3mka h GLU 433 N 8.83 0.00 -0.49 1.61 4.39 -1.94 -3.33 114.58 123.65 3mka h GLU 433 Ca -0.24 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.44 3mka h GLU 433 Cb 1.08 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 3mka h GLU 433 CO 1.01 0.22 0.19 0.93 -1.16 0.00 0.00 179.01 180.19 3mka h GLU 434 N 0.00 0.71 0.00 2.33 4.39 -2.00 -3.47 114.58 116.54 3mka h GLU 434 Ca -0.02 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.58 3mka h GLU 434 Cb 1.20 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3mka h GLU 434 CO 0.03 0.59 0.00 0.41 -1.16 0.00 0.00 179.01 178.88 3mka n GLY 435 N -1.10 2.03 3.50 -3.84 0.00 -1.25 -5.04 105.19 99.48 3mka n GLY 435 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 3mka n GLY 435 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mka s TYR 436 N -2.15 -0.29 0.11 1.61 -0.85 -1.26 -0.56 117.35 113.96 3mka s TYR 436 Ca 0.00 -0.01 -0.25 0.00 -0.52 0.00 0.00 57.07 56.29 3mka s TYR 436 Cb 0.00 0.47 0.07 0.00 0.38 0.00 0.00 41.96 42.89 3mka s TYR 436 CO 0.00 -0.90 0.80 -1.14 -1.52 0.00 0.00 175.55 172.79 3mka s GLN 437 N -3.82 1.15 0.08 -3.49 2.00 -0.28 -5.00 119.66 110.30 3mka s GLN 437 Ca 0.05 -0.51 -0.17 0.00 -2.00 0.00 0.00 55.36 52.73 3mka s GLN 437 Cb -0.01 0.47 0.04 0.00 0.80 0.00 0.00 33.01 34.31 3mka s GLN 437 CO -0.07 -0.51 0.41 0.00 -0.50 0.00 0.00 175.29 174.62 3mka s ALA 438 N -3.43 -0.98 0.07 1.58 0.00 -1.26 -1.26 121.76 116.48 3mka s ALA 438 Ca 0.06 0.16 -0.05 0.00 0.00 0.00 0.00 51.96 52.13 3mka s ALA 438 Cb -0.02 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 3mka s ALA 438 CO -0.06 -0.54 0.09 0.14 0.00 0.00 0.00 175.76 175.39 3mka s VAL 439 N -3.06 0.17 0.00 0.00 -7.23 -0.16 -4.91 120.40 105.20 3mka s VAL 439 Ca -0.02 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 3mka s VAL 439 Cb 0.00 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.59 3mka s VAL 439 CO -0.07 -0.78 0.00 0.61 -0.31 0.00 0.00 175.10 174.55 3mka n GLY 440 N 0.11 1.04 0.30 2.32 0.00 -1.26 -0.81 105.19 106.90 3mka n GLY 440 Ca -0.15 -2.21 0.17 0.00 0.00 0.00 0.00 46.02 43.83 3mka n GLY 440 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mka h SER 441 N 0.00 0.00 -0.28 1.61 4.64 -1.81 -2.29 113.55 115.42 3mka h SER 441 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mka h SER 441 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3mka h SER 441 CO 0.00 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 3mka n GLY 442 N -1.05 3.69 0.27 -0.77 0.00 -1.26 -4.70 105.19 101.36 3mka n GLY 442 Ca -0.03 -0.86 0.09 0.00 0.00 0.00 0.00 46.02 45.23 3mka n GLY 442 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mka h SER 443 N 1.87 0.00 -0.32 1.61 4.64 -1.64 -1.51 113.55 118.21 3mka h SER 443 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3mka h SER 443 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 3mka h SER 443 CO 0.17 0.00 -0.23 -0.07 -0.87 0.00 0.00 176.83 175.83 3mka h LEU 444 N 0.00 0.76 -0.41 5.97 4.07 -1.84 -0.57 115.31 123.29 3mka h LEU 444 Ca 0.01 -0.44 -0.02 0.00 0.08 0.00 0.00 57.88 57.51 3mka h LEU 444 Cb 0.04 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 3mka h LEU 444 CO -0.00 1.03 0.18 -0.26 -1.08 0.00 0.00 178.44 178.31 3mka h PHE 445 N 0.48 0.61 -0.77 1.13 0.04 -1.77 -1.23 116.94 115.44 3mka h PHE 445 Ca 0.06 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3mka h PHE 445 Cb 0.79 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.71 3mka h PHE 445 CO 0.07 0.53 0.35 0.00 -0.60 0.00 0.00 178.31 178.66 3mka h ALA 446 N 1.02 0.99 -0.64 2.45 0.00 -1.21 -1.20 119.26 120.67 3mka h ALA 446 Ca 0.14 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3mka h ALA 446 Cb 0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3mka h ALA 446 CO -0.01 0.58 0.11 0.87 0.00 0.00 0.00 179.25 180.79 3mka h LYS 447 N 1.09 1.06 0.00 0.00 1.57 -0.87 -0.53 116.57 118.90 3mka h LYS 447 Ca 0.26 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 3mka h LYS 447 Cb 0.15 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3mka h LYS 447 CO -0.03 0.98 -0.51 0.77 -0.57 0.00 0.00 179.45 180.10 3mka h SER 448 N 0.98 0.00 -0.03 0.86 0.02 -0.85 -0.30 113.55 114.22 3mka h SER 448 Ca 0.20 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3mka h SER 448 Cb 0.43 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 3mka h SER 448 CO 0.01 0.51 -0.05 -1.28 -1.14 0.00 0.00 176.83 174.88 3mka h SER 449 N 0.00 0.10 -0.18 3.07 0.87 -1.00 -3.20 113.55 113.22 3mka h SER 449 Ca -0.01 -0.53 -0.03 0.00 -1.23 0.00 0.00 61.79 59.99 3mka h SER 449 Cb 0.95 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.86 3mka h SER 449 CO 0.07 0.61 0.03 0.24 -0.53 0.00 0.00 176.83 177.25 3mka h MET 450 N -0.40 0.40 -0.87 2.24 2.07 -0.77 -0.98 114.93 116.61 3mka h MET 450 Ca 0.00 -0.06 0.17 0.00 -2.07 0.00 0.00 59.70 57.74 3mka h MET 450 Cb 0.59 -0.07 -0.07 0.00 -1.87 0.00 0.00 31.60 30.18 3mka h MET 450 CO 0.01 0.40 0.57 -0.22 1.07 0.00 0.00 176.91 178.74 3mka h LYS 451 N 0.39 0.49 0.14 1.72 3.64 -1.05 0.16 116.57 122.05 3mka h LYS 451 Ca 0.09 -0.03 -0.35 0.00 -1.27 0.00 0.00 60.65 59.10 3mka h LYS 451 Cb 0.21 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3mka h LYS 451 CO 0.00 0.32 -1.82 0.87 -2.27 0.00 0.00 179.45 176.55 3mka h LYS 452 N 0.50 0.29 0.00 1.90 1.79 -1.23 -3.37 116.57 116.45 3mka h LYS 452 Ca 0.44 -0.49 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3mka h LYS 452 Cb 0.96 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 3mka h LYS 452 CO -0.18 1.18 -0.03 1.28 -1.08 0.00 0.00 179.45 180.62 3mka n LEU 453 N -3.48 0.62 -0.32 2.94 4.77 -0.64 -4.44 117.00 116.45 3mka n LEU 453 Ca -0.26 0.54 0.03 0.00 -0.03 0.00 0.00 56.01 56.29 3mka n LEU 453 Cb 1.06 -0.35 0.17 0.00 -2.33 0.00 0.00 43.42 41.96 3mka n LEU 453 CO 0.47 -0.13 1.20 0.22 -1.33 0.00 0.00 177.39 177.82 3mka h TYR 454 N 0.00 1.01 -0.19 -1.77 3.20 -0.86 -1.83 116.97 116.53 3mka h TYR 454 Ca 0.00 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.96 3mka h TYR 454 Cb 0.68 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3mka h TYR 454 CO 0.00 0.47 0.31 0.66 -1.64 0.00 0.00 178.16 177.96 3mka h SER 455 N 0.96 0.00 0.12 -2.11 4.64 -1.85 0.18 113.55 115.49 3mka h SER 455 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3mka h SER 455 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3mka h SER 455 CO -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.75 3mka n GLN 456 N -3.45 0.76 -3.15 4.77 6.02 -0.69 -4.81 117.38 116.83 3mka n GLN 456 Ca 0.02 0.01 -0.40 0.00 -0.01 0.00 0.00 57.00 56.62 3mka n GLN 456 Cb 0.42 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.12 3mka n GLN 456 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3mka s VAL 457 N -2.14 5.02 0.00 5.09 1.01 0.65 -4.79 120.40 125.24 3mka s VAL 457 Ca 0.38 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.44 3mka s VAL 457 Cb 0.19 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3mka s VAL 457 CO 0.34 0.07 0.04 0.35 0.00 0.00 0.00 175.10 175.91 3mka n THR 458 N 5.01 0.00 -3.75 3.92 -2.24 -1.26 -4.92 114.28 111.04 3mka n THR 458 Ca -0.02 -0.13 -0.02 0.00 -2.27 0.00 0.00 64.05 61.60 3mka n THR 458 Cb 0.49 1.22 -0.01 0.00 -2.10 0.00 0.00 70.33 69.93 3mka n THR 458 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3mka s ASP 459 N -0.19 -0.13 0.40 3.42 1.47 -1.26 -4.55 116.67 115.83 3mka s ASP 459 Ca 0.00 -0.39 0.18 0.00 1.18 0.00 0.00 52.55 53.52 3mka s ASP 459 Cb 0.00 0.43 1.09 0.00 -0.34 0.00 0.00 42.92 44.10 3mka s ASP 459 CO 0.00 -0.80 1.78 1.23 0.68 0.00 0.00 175.17 178.06 3mka h GLY 460 N 2.00 1.19 0.69 2.12 0.00 -1.94 0.34 103.07 107.46 3mka h GLY 460 Ca -0.26 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 3mka h GLY 460 CO 0.27 -0.12 -0.32 -0.55 0.00 0.00 0.00 176.54 175.82 3mka h ASP 461 N 0.41 0.40 -0.28 0.19 3.32 -1.98 0.11 116.42 118.59 3mka h ASP 461 Ca 0.58 -0.65 -0.15 0.00 0.02 0.00 0.00 57.03 56.83 3mka h ASP 461 Cb 1.44 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 3mka h ASP 461 CO -0.28 0.99 -0.37 0.77 -1.72 0.00 0.00 179.24 178.62 3mka h SER 462 N -0.16 0.87 -0.43 6.45 4.64 -1.75 -1.84 113.55 121.34 3mka h SER 462 Ca -0.02 -0.39 0.05 0.00 -0.47 0.00 0.00 61.79 60.96 3mka h SER 462 Cb 0.97 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.78 3mka h SER 462 CO 0.07 1.14 0.18 1.23 -0.87 0.00 0.00 176.83 178.58 3mka h GLY 463 N 0.88 0.57 2.00 -0.77 0.00 -0.28 -1.29 103.07 104.18 3mka h GLY 463 Ca 0.06 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 3mka h GLY 463 CO 0.09 0.06 -0.32 -2.00 0.00 0.00 0.00 176.54 174.37 3mka h LEU 464 N 0.37 0.00 0.36 3.11 5.85 -0.58 -2.36 115.31 122.05 3mka h LEU 464 Ca 0.19 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3mka h LEU 464 Cb 0.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3mka h LEU 464 CO -0.17 0.32 -0.17 -0.09 -0.34 0.00 0.00 178.44 177.98 3mka h ARG 465 N 0.00 -0.46 -0.82 1.25 2.43 -0.41 -2.16 114.38 114.22 3mka h ARG 465 Ca -0.00 0.03 0.34 0.00 -0.81 0.00 0.00 59.98 59.54 3mka h ARG 465 Cb 0.59 0.10 -0.15 0.00 -0.42 0.00 0.00 29.97 30.10 3mka h ARG 465 CO 0.04 -0.31 0.42 0.28 -1.51 0.00 0.00 179.97 178.90 3mka n VAL 466 N -3.91 -0.34 -0.07 0.20 0.31 -0.64 0.54 118.33 114.42 3mka n VAL 466 Ca -0.06 1.67 -0.14 0.00 -0.01 0.00 0.00 64.34 65.80 3mka n VAL 466 Cb 0.19 -2.70 -0.06 0.00 -0.91 0.00 0.00 33.84 30.37 3mka n VAL 466 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mka h ALA 467 N 1.64 0.33 0.00 3.52 0.00 -1.33 -1.09 119.26 122.33 3mka h ALA 467 Ca 0.69 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 3mka h ALA 467 Cb 1.80 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 3mka h ALA 467 CO -0.64 0.34 -0.21 0.28 0.00 0.00 0.00 179.25 179.02 3mka h VAL 468 N 0.27 0.61 0.03 0.00 2.07 0.77 -2.49 116.25 117.52 3mka h VAL 468 Ca 0.03 -0.99 -0.23 0.00 0.82 0.00 0.00 66.70 66.33 3mka h VAL 468 Cb 0.85 1.65 0.02 0.00 -1.52 0.00 0.00 31.29 32.29 3mka h VAL 468 CO 0.07 0.21 -0.93 -0.08 0.02 0.00 0.00 177.57 176.86 3mka h GLU 469 N 0.00 0.57 -0.83 1.57 4.81 -0.85 -2.13 114.58 117.73 3mka h GLU 469 Ca -0.00 -0.66 0.03 0.00 -0.13 0.00 0.00 59.36 58.60 3mka h GLU 469 Cb 0.64 0.20 -0.05 0.00 0.63 0.00 0.00 28.75 30.17 3mka h GLU 469 CO 0.03 1.26 0.55 0.00 -0.73 0.00 0.00 179.01 180.12 3mka h ALA 470 N 0.33 1.47 0.00 2.92 0.00 -0.99 0.17 119.26 123.15 3mka h ALA 470 Ca -0.13 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3mka h ALA 470 Cb 1.61 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3mka h ALA 470 CO 0.18 0.46 -0.33 1.25 0.00 0.00 0.00 179.25 180.81 3mka h LEU 471 N 1.05 0.00 -0.09 0.00 5.85 -1.45 -1.20 115.31 119.48 3mka h LEU 471 Ca 0.32 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.94 3mka h LEU 471 Cb -0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3mka h LEU 471 CO -0.09 0.33 -0.36 0.22 -0.34 0.00 0.00 178.44 178.20 3mka h TYR 472 N 0.00 0.53 -0.60 1.25 3.20 -0.06 -2.31 116.97 118.98 3mka h TYR 472 Ca -0.00 -0.23 -0.02 0.00 3.14 0.00 0.00 58.73 61.62 3mka h TYR 472 Cb 0.88 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 3mka h TYR 472 CO 0.00 0.97 0.28 -0.44 -1.64 0.00 0.00 178.16 177.33 3mka h ASP 473 N -0.06 0.76 -0.60 -2.11 3.32 -0.87 -2.11 116.42 114.75 3mka h ASP 473 Ca -0.02 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 56.86 3mka h ASP 473 Cb 1.00 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 3mka h ASP 473 CO 0.08 0.65 0.02 0.00 -1.72 0.00 0.00 179.24 178.26 3mka h ALA 474 N 1.47 0.81 0.00 3.45 0.00 -1.15 -2.80 119.26 121.04 3mka h ALA 474 Ca 0.21 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3mka h ALA 474 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3mka h ALA 474 CO -0.03 0.63 -0.26 0.00 0.00 0.00 0.00 179.25 179.59 3mka h ALA 475 N 0.99 1.32 -0.49 0.00 0.00 -0.90 -1.54 119.26 118.64 3mka h ALA 475 Ca 0.17 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3mka h ALA 475 Cb 0.53 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3mka h ALA 475 CO 0.03 0.32 -0.06 0.22 0.00 0.00 0.00 179.25 179.76 3mka h ASP 476 N 0.00 0.85 -0.01 0.00 3.58 -1.14 -3.30 116.42 116.40 3mka h ASP 476 Ca -0.00 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.20 3mka h ASP 476 Cb 0.54 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.37 3mka h ASP 476 CO 0.03 0.95 -0.25 0.47 -2.88 0.00 0.00 179.24 177.56 3mka n ASP 477 N -4.17 1.57 -3.91 2.28 8.00 -1.06 -4.92 116.55 114.34 3mka n ASP 477 Ca 0.02 -1.28 -0.26 0.00 0.71 0.00 0.00 54.79 53.98 3mka n ASP 477 Cb 0.35 0.41 -0.17 0.00 -0.02 0.00 0.00 41.12 41.69 3mka n ASP 477 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3mka s ASP 478 N -1.64 1.97 0.08 -2.24 2.15 -0.61 -5.00 116.67 111.39 3mka s ASP 478 Ca 0.12 -0.27 0.22 0.00 0.43 0.00 0.00 52.55 53.06 3mka s ASP 478 Cb 0.11 -0.77 0.90 0.00 -0.30 0.00 0.00 42.92 42.86 3mka s ASP 478 CO 0.33 -0.10 1.69 -1.54 -0.17 0.00 0.00 175.17 175.38 3mka n SER 479 N 4.74 0.25 0.08 -0.34 3.41 -1.26 -2.85 113.62 117.66 3mka n SER 479 Ca -0.14 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 3mka n SER 479 Cb 0.50 -0.60 0.25 0.00 -0.26 0.00 0.00 64.21 64.10 3mka n SER 479 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mka h ALA 480 N 2.60 0.75 -3.16 7.33 0.00 -1.94 -3.44 119.26 121.40 3mka h ALA 480 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 3mka h ALA 480 Cb 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.05 3mka h ALA 480 CO 0.00 0.00 -0.54 0.99 0.00 0.00 0.00 179.25 179.70 3mka s THR 481 N -3.15 4.99 -0.06 0.00 2.01 -1.13 -4.55 115.64 113.76 3mka s THR 481 Ca 0.08 0.05 -0.15 0.00 0.31 0.00 0.00 61.69 61.97 3mka s THR 481 Cb 0.13 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 3mka s THR 481 CO 0.67 0.40 0.40 -0.83 -0.69 0.00 0.00 174.62 174.57 3mka s GLY 482 N 0.80 2.41 0.59 4.40 0.00 -1.26 -4.48 107.32 109.78 3mka s GLY 482 Ca 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 44.72 44.51 3mka s GLY 482 CO 0.02 0.31 0.80 0.61 0.00 0.00 0.00 173.10 174.85 3mka n GLY 483 N 2.39 0.61 3.68 0.20 0.00 -1.26 -4.40 105.19 106.40 3mka n GLY 483 Ca -0.12 -2.01 -0.44 0.00 0.00 0.00 0.00 46.02 43.45 3mka n GLY 483 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mka n PRO 484 N -2.49 2.57 -2.95 1.61 -0.04 -1.26 -4.94 135.00 127.50 3mka n PRO 484 Ca 0.13 0.94 -0.44 0.00 -0.04 0.00 0.00 63.50 64.09 3mka n PRO 484 Cb 0.47 -2.83 -0.03 0.00 -0.04 0.00 0.00 33.50 31.07 3mka n PRO 484 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3mka s ASP 485 N 3.56 6.37 0.50 3.54 -1.08 -0.29 -4.89 116.67 124.38 3mka s ASP 485 Ca 0.87 -1.55 0.31 0.00 -0.52 0.00 0.00 52.55 51.66 3mka s ASP 485 Cb -0.55 -2.38 1.20 0.00 -1.46 0.00 0.00 42.92 39.73 3mka s ASP 485 CO 0.43 -1.20 1.91 -0.07 0.52 0.00 0.00 175.17 176.77 3mka h LEU 486 N 10.57 0.00 0.01 -1.34 4.07 -1.92 0.30 115.31 127.00 3mka h LEU 486 Ca -0.10 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.59 3mka h LEU 486 Cb 1.06 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.81 3mka h LEU 486 CO 1.12 0.00 -1.13 0.58 -1.08 0.00 0.00 178.44 177.93 3mka h VAL 487 N 0.00 1.36 0.00 1.22 2.07 -1.97 -3.30 116.25 115.63 3mka h VAL 487 Ca 0.00 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.98 3mka h VAL 487 Cb 0.56 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 3mka h VAL 487 CO 0.00 0.76 -1.18 0.54 0.02 0.00 0.00 177.57 177.72 3mka n ARG 488 N -3.74 0.13 -2.85 1.57 1.74 -1.20 -5.00 116.66 107.31 3mka n ARG 488 Ca -0.10 -0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 56.84 3mka n ARG 488 Cb 0.94 -1.51 0.04 0.00 -1.02 0.00 0.00 32.46 30.91 3mka n ARG 488 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mka n GLY 489 N 1.45 0.09 3.41 -0.13 0.00 0.99 -5.03 105.19 105.97 3mka n GLY 489 Ca 0.03 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3mka n GLY 489 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mka s ILE 490 N -3.18 3.54 0.29 -0.61 1.01 -0.79 -5.00 121.20 116.46 3mka s ILE 490 Ca 0.11 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.33 3mka s ILE 490 Cb -0.05 -2.56 -0.06 0.00 0.01 0.00 0.00 42.46 39.81 3mka s ILE 490 CO 0.37 0.48 0.03 -0.36 0.00 0.00 0.00 174.94 175.46 3mka s PHE 491 N 0.73 1.80 0.86 3.97 0.08 -1.26 -1.14 117.98 123.02 3mka s PHE 491 Ca -0.03 -0.94 -0.12 0.00 0.12 0.00 0.00 56.93 55.96 3mka s PHE 491 Cb -0.15 -1.11 0.09 0.00 -0.57 0.00 0.00 43.02 41.28 3mka s PHE 491 CO 0.02 -0.01 1.03 -2.30 -0.10 0.00 0.00 175.22 173.86 3mka n PRO 492 N -0.57 -0.10 -4.11 0.24 -0.02 -1.26 -4.79 135.00 124.39 3mka n PRO 492 Ca -0.03 0.04 -0.31 0.00 -2.02 0.00 0.00 63.50 61.18 3mka n PRO 492 Cb 0.65 -2.30 -0.07 0.00 -0.02 0.00 0.00 33.50 31.76 3mka n PRO 492 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3mka s THR 493 N -2.32 4.30 0.06 3.45 -4.23 -0.88 -4.94 115.64 111.07 3mka s THR 493 Ca 0.68 -0.81 -0.02 0.00 -1.18 0.00 0.00 61.69 60.36 3mka s THR 493 Cb -0.26 -3.04 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 3mka s THR 493 CO 0.56 0.17 0.01 0.00 -0.54 0.00 0.00 174.62 174.82 3mka s ALA 494 N -1.31 0.42 -0.02 3.99 0.00 -1.26 -1.65 121.76 121.93 3mka s ALA 494 Ca 0.26 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 3mka s ALA 494 Cb -0.12 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.36 3mka s ALA 494 CO 0.19 -0.40 0.04 0.08 0.00 0.00 0.00 175.76 175.67 3mka s VAL 495 N -3.92 -0.03 0.04 0.00 1.01 -0.29 -1.39 120.40 115.82 3mka s VAL 495 Ca 0.08 0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.25 3mka s VAL 495 Cb 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.35 3mka s VAL 495 CO -0.09 0.04 -0.25 -0.51 0.00 0.00 0.00 175.10 174.30 3mka s ILE 496 N 0.58 2.28 -0.05 2.22 2.07 -0.32 -1.21 121.20 126.76 3mka s ILE 496 Ca -0.05 -1.32 -0.01 0.00 -1.41 0.00 0.00 60.65 57.87 3mka s ILE 496 Cb -0.07 -1.90 0.03 0.00 0.13 0.00 0.00 42.46 40.66 3mka s ILE 496 CO -0.02 0.38 0.02 -0.63 -1.91 0.00 0.00 174.94 172.78 3mka s ILE 497 N -0.81 0.18 0.00 2.00 1.01 -0.46 -0.53 121.20 122.60 3mka s ILE 497 Ca 0.12 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.98 3mka s ILE 497 Cb -0.10 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.01 3mka s ILE 497 CO 0.02 0.21 0.00 -0.90 0.00 0.00 0.00 174.94 174.28 3mka n ASP 498 N 4.98 0.73 0.10 3.58 5.68 -1.15 -1.62 116.55 128.85 3mka n ASP 498 Ca -0.10 -0.57 0.18 0.00 -0.50 0.00 0.00 54.79 53.80 3mka n ASP 498 Cb 0.50 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.22 3mka n ASP 498 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mka h ALA 499 N 1.00 2.18 -0.10 2.12 0.00 -1.95 -0.37 119.26 122.13 3mka h ALA 499 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mka h ALA 499 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3mka h ALA 499 CO 0.00 -0.48 0.00 -0.25 0.00 0.00 0.00 179.25 178.52 3mka n ASP 500 N -4.11 0.57 0.00 0.00 8.00 -1.26 -5.03 116.55 114.72 3mka n ASP 500 Ca 0.06 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.62 3mka n ASP 500 Cb 0.47 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 3mka n ASP 500 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mka n GLY 501 N 0.70 0.60 3.68 0.44 0.00 -0.15 -4.98 105.19 105.48 3mka n GLY 501 Ca 0.05 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.57 3mka n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mka s ALA 502 N -1.18 3.51 0.04 4.61 0.00 0.38 -2.93 121.76 126.19 3mka s ALA 502 Ca 0.00 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 51.83 3mka s ALA 502 Cb 0.00 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 3mka s ALA 502 CO 0.00 -0.41 -0.22 0.14 0.00 0.00 0.00 175.76 175.26 3mka s VAL 503 N 1.57 1.81 0.08 0.00 -7.23 0.31 -4.98 120.40 111.96 3mka s VAL 503 Ca 0.29 -1.25 -0.30 0.00 -1.81 0.00 0.00 61.98 58.91 3mka s VAL 503 Cb -0.16 -1.56 -0.06 0.00 0.56 0.00 0.00 36.38 35.16 3mka s VAL 503 CO 0.11 0.26 1.15 -1.81 -0.31 0.00 0.00 175.10 174.51 3mka s ASP 504 N -1.17 7.15 0.15 4.85 1.01 -1.26 -1.17 116.67 126.23 3mka s ASP 504 Ca 0.09 1.98 -0.30 0.00 0.71 0.00 0.00 52.55 55.03 3mka s ASP 504 Cb -0.09 -2.58 -0.07 0.00 1.01 0.00 0.00 42.92 41.19 3mka s ASP 504 CO 0.02 -0.39 1.09 -0.69 0.21 0.00 0.00 175.17 175.40 3mka s VAL 505 N 0.80 4.00 0.28 -1.27 1.01 -0.48 -4.92 120.40 119.81 3mka s VAL 505 Ca 0.56 1.67 -0.29 0.00 0.00 0.00 0.00 61.98 63.92 3mka s VAL 505 Cb -0.28 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 31.93 3mka s VAL 505 CO 0.30 0.26 1.26 -2.16 0.00 0.00 0.00 175.10 174.76 3mka s PRO 506 N -0.13 4.43 0.25 2.72 0.04 -1.26 -4.68 135.00 136.37 3mka s PRO 506 Ca 0.50 2.07 -0.13 0.00 0.04 0.00 0.00 61.00 63.48 3mka s PRO 506 Cb -0.28 -3.14 0.34 0.00 0.04 0.00 0.00 34.50 31.46 3mka s PRO 506 CO 0.33 -0.12 1.57 1.49 0.04 0.00 0.00 177.00 180.32 3mka h GLU 507 N 4.14 -0.01 -0.94 4.56 4.81 -1.94 0.12 114.58 125.31 3mka h GLU 507 Ca -0.47 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 58.88 3mka h GLU 507 Cb 1.22 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.53 3mka h GLU 507 CO 0.70 -0.01 0.60 0.66 -0.73 0.00 0.00 179.01 180.23 3mka h SER 508 N -0.01 0.83 0.05 1.04 4.64 -1.98 0.37 113.55 118.49 3mka h SER 508 Ca 0.40 0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.69 3mka h SER 508 Cb 0.64 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3mka h SER 508 CO -0.94 0.45 -0.19 -0.09 -0.87 0.00 0.00 176.83 175.18 3mka h ARG 509 N 0.89 0.26 0.08 4.77 9.65 -1.13 -1.22 114.38 127.69 3mka h ARG 509 Ca 0.46 -0.08 -0.13 0.00 -1.10 0.00 0.00 59.98 59.14 3mka h ARG 509 Cb 0.51 -0.03 0.01 0.00 -1.39 0.00 0.00 29.97 29.08 3mka h ARG 509 CO -0.22 0.46 -0.54 0.82 2.80 0.00 0.00 179.97 183.28 3mka h ILE 510 N 0.24 1.58 -0.98 1.20 2.04 -0.73 -2.40 117.51 118.47 3mka h ILE 510 Ca 0.04 -2.40 0.14 0.00 1.00 0.00 0.00 64.86 63.64 3mka h ILE 510 Cb 0.49 3.17 -0.09 0.00 -0.74 0.00 0.00 36.82 39.66 3mka h ILE 510 CO 0.03 0.67 0.62 0.00 0.00 0.00 0.00 178.15 179.47 3mka h ALA 511 N 0.09 1.62 -0.25 1.87 0.00 -0.29 0.22 119.26 122.54 3mka h ALA 511 Ca -0.09 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3mka h ALA 511 Cb 1.40 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3mka h ALA 511 CO 0.10 0.11 0.02 1.49 0.00 0.00 0.00 179.25 180.97 3mka h GLU 512 N 0.88 0.42 -0.83 0.00 4.81 -1.23 -1.97 114.58 116.67 3mka h GLU 512 Ca 0.50 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 3mka h GLU 512 Cb 0.62 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 3mka h GLU 512 CO -0.27 0.57 0.44 1.25 -0.73 0.00 0.00 179.01 180.27 3mka h LEU 513 N 0.21 1.04 0.83 1.64 5.85 -0.57 -1.15 115.31 123.16 3mka h LEU 513 Ca 0.07 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 3mka h LEU 513 Cb 0.37 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.14 3mka h LEU 513 CO 0.01 0.84 -0.41 0.00 -0.34 0.00 0.00 178.44 178.54 3mka h ALA 514 N 1.32 -1.30 -0.85 1.25 0.00 -0.48 -1.79 119.26 117.42 3mka h ALA 514 Ca 0.29 -0.25 0.19 0.00 0.00 0.00 0.00 54.91 55.14 3mka h ALA 514 Cb 0.05 0.46 -0.11 0.00 0.00 0.00 0.00 17.79 18.18 3mka h ALA 514 CO -0.04 -1.22 0.35 0.00 0.00 0.00 0.00 179.25 178.34 3mka h ARG 515 N -1.13 0.41 -0.30 0.00 3.08 -1.25 0.21 114.38 115.39 3mka h ARG 515 Ca -0.11 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 59.96 3mka h ARG 515 Cb 0.87 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 3mka h ARG 515 CO 0.18 0.27 0.04 0.00 -1.07 0.00 0.00 179.97 179.39 3mka h ALA 516 N 1.65 0.30 -0.63 0.04 0.00 -0.78 0.11 119.26 119.95 3mka h ALA 516 Ca 0.50 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.39 3mka h ALA 516 Cb 0.89 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3mka h ALA 516 CO -0.49 -0.37 0.04 0.82 0.00 0.00 0.00 179.25 179.25 3mka h ILE 517 N 0.14 1.26 -0.63 0.00 2.04 -0.02 -1.22 117.51 119.08 3mka h ILE 517 Ca 0.14 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 3mka h ILE 517 Cb 0.17 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3mka h ILE 517 CO -0.21 0.41 0.36 0.40 0.00 0.00 0.00 178.15 179.11 3mka h ILE 518 N 1.00 1.20 -0.30 -0.67 2.04 -0.11 0.23 117.51 120.90 3mka h ILE 518 Ca 0.18 -0.49 -0.13 0.00 1.00 0.00 0.00 64.86 65.43 3mka h ILE 518 Cb 0.52 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3mka h ILE 518 CO 0.02 0.21 -0.34 -0.08 0.00 0.00 0.00 178.15 177.97 3mka h GLU 519 N 0.86 0.65 -0.64 2.37 4.57 -0.61 -1.72 114.58 120.06 3mka h GLU 519 Ca 0.22 -0.31 -0.05 0.00 -1.18 0.00 0.00 59.36 58.04 3mka h GLU 519 Cb 0.03 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 3mka h GLU 519 CO -0.04 0.90 0.18 1.03 -1.18 0.00 0.00 179.01 179.91 3mka h SER 520 N 0.55 0.92 -0.48 1.04 0.87 -0.67 6.01 113.55 121.79 3mka h SER 520 Ca 0.06 -0.17 -0.07 0.00 -1.23 0.00 0.00 61.79 60.38 3mka h SER 520 Cb 0.84 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 3mka h SER 520 CO 0.07 0.87 0.05 0.03 -0.53 0.00 0.00 176.83 177.32 3mka h ARG 521 N 0.95 0.87 0.00 2.24 2.47 -0.16 -3.32 114.38 117.43 3mka h ARG 521 Ca 0.21 -0.23 -0.39 0.00 -1.26 0.00 0.00 59.98 58.32 3mka h ARG 521 Cb 0.29 -0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 28.45 3mka h ARG 521 CO -0.01 0.84 -2.25 -1.13 0.56 0.00 0.00 179.97 177.99 3mka n SER 522 N -4.22 1.95 0.00 7.04 3.41 -0.68 -5.09 113.62 116.03 3mka n SER 522 Ca 0.03 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 3mka n SER 522 Cb 0.29 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 3mka n SER 522 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49