#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mka s ASP -37 N 0.00 5.79 0.01 6.55 3.68 -1.26 -4.99 116.67 126.44 3mka s ASP -37 Ca 0.00 0.12 0.23 0.00 2.13 0.00 0.00 52.55 55.03 3mka s ASP -37 Cb 0.00 -2.00 0.08 0.00 -1.45 0.00 0.00 42.92 39.55 3mka s ASP -37 CO 0.00 0.18 1.10 0.18 0.13 0.00 0.00 175.17 176.76 3mka n LEU -36 N 3.53 0.74 -2.10 -1.34 4.32 -1.26 -4.91 117.00 115.99 3mka n LEU -36 Ca -0.16 -0.24 -0.14 0.00 -0.02 0.00 0.00 56.01 55.45 3mka n LEU -36 Cb 0.52 -0.11 0.03 0.00 -1.62 0.00 0.00 43.42 42.25 3mka n LEU -36 CO 0.36 0.17 0.07 -1.20 -1.22 0.00 0.00 177.39 175.57 3mka n SER -35 N -1.57 -4.43 -4.51 -1.43 7.64 -1.26 -4.97 113.62 103.09 3mka n SER -35 Ca 0.04 -0.24 -0.38 0.00 1.01 0.00 0.00 58.87 59.30 3mka n SER -35 Cb 0.35 -3.16 -0.11 0.00 -1.01 0.00 0.00 64.21 60.28 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 -3.00 5.73 0.31 6.43 0.15 -1.26 -4.13 113.70 117.92 3mka s SER -34 Ca 0.26 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.65 3mka s SER -34 Cb -0.12 -2.05 0.52 0.00 -1.71 0.00 0.00 66.02 62.66 3mka s SER -34 CO 0.32 -0.12 1.94 0.15 1.20 0.00 0.00 173.24 176.73 3mka h PHE -33 N 8.36 1.02 -0.19 3.44 3.57 -1.90 -2.52 116.94 128.72 3mka h PHE -33 Ca -0.34 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.08 3mka h PHE -33 Cb 1.17 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 3mka h PHE -33 CO 0.69 0.57 -0.29 0.00 -2.23 0.00 0.00 178.31 177.05 3mka h THR -32 N 1.04 1.34 -0.62 4.41 1.03 -1.94 -2.59 112.91 115.57 3mka h THR -32 Ca 0.35 -1.51 -0.02 0.00 -0.01 0.00 0.00 66.41 65.23 3mka h THR -32 Cb 0.09 1.85 -0.03 0.00 -1.07 0.00 0.00 68.15 68.99 3mka h THR -32 CO -0.11 0.46 0.31 -0.78 -0.01 0.00 0.00 175.52 175.38 3mka h ASP -31 N 0.19 0.79 -0.72 0.00 1.82 -1.98 -1.53 116.42 115.00 3mka h ASP -31 Ca 0.02 -0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.54 3mka h ASP -31 Cb 0.87 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.65 3mka h ASP -31 CO 0.07 0.66 0.29 0.15 -1.61 0.00 0.00 179.24 178.80 3mka h PHE -30 N 0.88 1.10 -0.77 0.28 3.57 -1.36 -2.51 116.94 118.14 3mka h PHE -30 Ca 0.22 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 3mka h PHE -30 Cb 0.08 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 3mka h PHE -30 CO 0.01 0.84 0.28 -0.07 -2.23 0.00 0.00 178.31 177.14 3mka h LEU -29 N 1.06 1.08 -0.53 0.59 3.38 -0.90 -1.93 115.31 118.06 3mka h LEU -29 Ca 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3mka h LEU -29 Cb 0.21 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3mka h LEU -29 CO -0.02 0.98 0.30 0.03 0.09 0.00 0.00 178.44 179.82 3mka h ARG -28 N 1.12 0.72 -0.58 1.13 3.08 -0.96 0.36 114.38 119.26 3mka h ARG -28 Ca 0.25 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 3mka h ARG -28 Cb 0.25 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3mka h ARG -28 CO -0.02 0.54 0.03 0.00 -1.07 0.00 0.00 179.97 179.45 3mka h ARG -27 N 0.70 1.01 0.00 0.04 2.47 -1.33 -3.39 114.38 113.88 3mka h ARG -27 Ca 0.19 -0.31 -0.36 0.00 -1.26 0.00 0.00 59.98 58.24 3mka h ARG -27 Cb 0.02 -0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 28.18 3mka h ARG -27 CO -0.03 0.99 -2.25 1.04 0.56 0.00 0.00 179.97 180.28 3mka n GLN -26 N -4.25 0.50 -3.24 0.04 1.13 -0.74 -4.89 117.38 105.94 3mka n GLN -26 Ca 0.02 0.18 -0.24 0.00 -1.94 0.00 0.00 57.00 55.02 3mka n GLN -26 Cb 0.32 -1.35 -0.07 0.00 0.11 0.00 0.00 30.24 29.25 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 -3.66 2.84 0.25 -1.58 0.00 0.12 -4.92 120.51 113.57 3mka n ALA -25 Ca -0.42 -3.76 0.09 0.00 0.00 0.00 0.00 53.44 49.35 3mka n ALA -25 Cb 0.85 -0.84 0.64 0.00 0.00 0.00 0.00 19.45 20.11 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 3.94 0.00 -0.06 0.00 0.11 -1.60 -1.67 132.00 132.71 3mka h PRO -24 Ca 0.10 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.23 3mka h PRO -24 Cb 0.83 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 3mka h PRO -24 CO 0.56 0.11 0.06 1.05 -0.21 0.00 0.00 178.00 179.57 3mka h GLU -23 N 0.00 0.00 0.00 1.05 9.09 -1.91 -1.27 114.58 121.53 3mka h GLU -23 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3mka h GLU -23 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 3mka h GLU -23 CO 0.01 0.00 0.00 1.25 0.05 0.00 0.00 179.01 180.32 3mka h LEU -22 N 0.00 0.00-10.39 3.06 5.85 -1.67 -3.46 115.31 108.71 3mka h LEU -22 Ca 0.03 0.00 -0.49 0.00 0.84 0.00 0.00 57.88 58.26 3mka h LEU -22 Cb 0.15 0.00 0.11 0.00 0.37 0.00 0.00 40.66 41.29 3mka h LEU -22 CO -0.00 0.00 0.34 -0.76 -0.34 0.00 0.00 178.44 177.68 3mka s LEU -21 N -5.22 2.71 0.67 2.25 1.43 -0.48 -5.02 118.68 115.01 3mka s LEU -21 Ca 0.06 1.41 -0.16 0.00 -1.03 0.00 0.00 54.13 54.40 3mka s LEU -21 Cb 0.09 -4.07 0.01 0.00 0.03 0.00 0.00 46.19 42.25 3mka s LEU -21 CO 0.54 -1.90 1.20 -2.84 0.23 0.00 0.00 176.35 173.58 3mka s PRO -20 N -5.11 2.52 0.56 1.29 0.02 -1.26 -4.94 135.00 128.08 3mka s PRO -20 Ca 0.60 1.75 -0.21 0.00 0.02 0.00 0.00 61.00 63.16 3mka s PRO -20 Cb -0.15 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 3mka s PRO -20 CO 0.55 -1.54 1.29 0.00 -0.33 0.00 0.00 177.00 176.96 3mka s ALA -19 N -1.88 2.70 0.11 -1.55 0.00 -1.26 -5.06 121.76 114.82 3mka s ALA -19 Ca 0.75 1.19 0.04 0.00 0.00 0.00 0.00 51.96 53.94 3mka s ALA -19 Cb -0.29 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 3mka s ALA -19 CO 0.41 -1.28 -0.10 -1.54 0.00 0.00 0.00 175.76 173.24 3mka s SER -18 N -1.22 1.60 0.00 0.00 1.04 -1.26 -4.91 113.70 108.94 3mka s SER -18 Ca 0.74 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 56.30 3mka s SER -18 Cb -0.36 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 65.75 3mka s SER -18 CO 0.41 -0.27 0.00 0.00 0.98 0.00 0.00 173.24 174.36 3mka n ILE -17 N 0.35 0.00 -2.17 -1.02 3.06 -1.26 -5.03 119.36 113.29 3mka n ILE -17 Ca -0.14 0.00 -0.40 0.00 -2.50 0.00 0.00 62.75 59.71 3mka n ILE -17 Cb 0.58 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.74 3mka n ILE -17 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 3mka s GLN -5 N 0.00 2.92 0.12 9.51 2.00 -1.26 -5.14 119.66 127.82 3mka s GLN -5 Ca 0.00 0.58 -0.09 0.00 -2.00 0.00 0.00 55.36 53.85 3mka s GLN -5 Cb 0.00 -4.28 -0.06 0.00 0.80 0.00 0.00 33.01 29.47 3mka s GLN -5 CO 0.00 -2.39 0.44 -0.51 -0.50 0.00 0.00 175.29 172.33 3mka s LEU -4 N 7.77 4.30 0.19 3.68 1.02 -1.26 -4.88 118.68 129.50 3mka s LEU -4 Ca 0.62 0.80 -0.33 0.00 0.02 0.00 0.00 54.13 55.24 3mka s LEU -4 Cb -0.13 -3.20 -0.15 0.00 0.02 0.00 0.00 46.19 42.73 3mka s LEU -4 CO 0.23 0.10 1.28 -2.65 0.02 0.00 0.00 176.35 175.32 3mka n PRO -3 N 0.54 1.52 -3.83 1.29 -0.02 -1.26 -4.82 135.00 128.42 3mka n PRO -3 Ca -0.05 0.54 -0.07 0.00 -2.02 0.00 0.00 63.50 61.90 3mka n PRO -3 Cb 0.52 -2.12 0.02 0.00 -0.02 0.00 0.00 33.50 31.90 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 -0.05 0.06 0.00 6.00 -3.43 0.13 -3.60 115.29 114.40 3mka s HIS -2 Ca 0.72 -0.63 0.00 0.00 -0.80 0.00 0.00 55.06 54.35 3mka s HIS -2 Cb -0.78 0.79 0.00 0.00 -1.43 0.00 0.00 32.58 31.16 3mka s HIS -2 CO 0.50 -1.37 0.00 0.41 -2.00 0.00 0.00 174.74 172.28 3mka n GLY -1 N -0.55 0.74 3.44 -1.38 0.00 -1.26 -1.26 105.19 104.91 3mka n GLY -1 Ca -0.07 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.64 -0.08 4.61 0.00 -1.26 -4.38 121.76 119.00 3mka s ALA 301 Ca 0.00 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.58 3mka s ALA 301 Cb 0.00 0.79 0.01 0.00 0.00 0.00 0.00 23.12 23.92 3mka s ALA 301 CO 0.00 -0.75 -0.14 0.99 0.00 0.00 0.00 175.76 175.86 3mka s THR 302 N -3.58 1.34 -0.03 0.00 2.01 -1.26 -1.53 115.64 112.60 3mka s THR 302 Ca 0.01 -0.58 0.05 0.00 0.31 0.00 0.00 61.69 61.48 3mka s THR 302 Cb -0.01 -1.22 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 3mka s THR 302 CO -0.12 0.40 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.42 3mka s ILE 303 N 0.76 1.36 0.17 1.82 1.01 -0.03 -2.48 121.20 123.80 3mka s ILE 303 Ca -0.12 -0.70 0.08 0.00 0.00 0.00 0.00 60.65 59.91 3mka s ILE 303 Cb -0.16 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 3mka s ILE 303 CO 0.02 0.39 -0.16 0.68 0.00 0.00 0.00 174.94 175.87 3mka s VAL 304 N -0.13 1.68 -0.15 2.92 -7.23 0.29 -1.14 120.40 116.63 3mka s VAL 304 Ca 0.01 -1.98 -0.11 0.00 -1.81 0.00 0.00 61.98 58.09 3mka s VAL 304 Cb -0.09 -1.85 0.05 0.00 0.56 0.00 0.00 36.38 35.05 3mka s VAL 304 CO 0.01 -0.44 0.39 0.00 -0.31 0.00 0.00 175.10 174.75 3mka s ALA 305 N -2.39 -0.97 0.05 1.32 0.00 -0.78 -1.16 121.76 117.83 3mka s ALA 305 Ca 0.17 1.28 -0.05 0.00 0.00 0.00 0.00 51.96 53.36 3mka s ALA 305 Cb -0.04 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 3mka s ALA 305 CO 0.06 -0.22 0.08 -0.48 0.00 0.00 0.00 175.76 175.19 3mka s LEU 306 N 0.81 1.93 -0.15 0.00 0.05 -0.57 -1.13 118.68 119.61 3mka s LEU 306 Ca -0.05 -0.66 -0.07 0.00 0.05 0.00 0.00 54.13 53.40 3mka s LEU 306 Cb -0.06 0.55 -0.04 0.00 -2.05 0.00 0.00 46.19 44.59 3mka s LEU 306 CO -0.06 -0.55 0.11 -0.54 -0.55 0.00 0.00 176.35 174.76 3mka s LYS 307 N -3.06 3.71 0.19 1.48 1.02 0.42 -0.96 119.74 122.54 3mka s LYS 307 Ca -0.01 -0.22 0.07 0.00 0.02 0.00 0.00 55.97 55.83 3mka s LYS 307 Cb 0.02 -3.23 -0.05 0.00 -0.52 0.00 0.00 37.83 34.05 3mka s LYS 307 CO -0.07 0.55 -0.14 1.52 -0.92 0.00 0.00 175.35 176.29 3mka s TYR 308 N -0.38 1.62 0.14 3.18 -0.85 -0.48 -4.94 117.35 115.64 3mka s TYR 308 Ca 0.11 -0.59 -0.32 0.00 -0.52 0.00 0.00 57.07 55.74 3mka s TYR 308 Cb -0.12 -0.77 -0.12 0.00 0.38 0.00 0.00 41.96 41.33 3mka s TYR 308 CO 0.01 0.30 1.75 -2.30 -1.52 0.00 0.00 175.55 173.79 3mka n PRO 309 N -0.22 2.58 -1.08 -3.49 -0.02 -1.26 -0.61 135.00 130.90 3mka n PRO 309 Ca -0.09 0.94 -0.03 0.00 -2.02 0.00 0.00 63.50 62.29 3mka n PRO 309 Cb 0.60 -2.78 -0.01 0.00 -0.02 0.00 0.00 33.50 31.28 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 3.97 0.53 3.81 -1.23 0.00 0.90 -4.86 105.19 108.31 3mka n GLY 310 Ca 0.18 -0.19 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.28 -0.04 -0.04 -0.02 0.00 0.22 -4.19 107.32 100.98 3mka s GLY 311 Ca 0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 44.72 44.28 3mka s GLY 311 CO 0.00 -0.14 0.23 0.54 0.00 0.00 0.00 173.10 173.72 3mka s VAL 312 N -3.92 0.04 0.06 1.40 0.11 -0.67 -1.38 120.40 116.04 3mka s VAL 312 Ca 0.12 -0.37 0.04 0.00 -2.93 0.00 0.00 61.98 58.84 3mka s VAL 312 Cb -0.05 -0.45 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 3mka s VAL 312 CO 0.06 -0.20 -0.12 0.54 -3.33 0.00 0.00 175.10 172.05 3mka s VAL 313 N -0.80 0.94 -0.06 2.04 0.11 -0.14 -0.95 120.40 121.53 3mka s VAL 313 Ca -0.09 -1.23 -0.04 0.00 -2.93 0.00 0.00 61.98 57.69 3mka s VAL 313 Cb -0.05 -0.93 0.02 0.00 -1.53 0.00 0.00 36.38 33.90 3mka s VAL 313 CO 0.02 -0.27 0.15 -0.32 -3.33 0.00 0.00 175.10 171.35 3mka s MET 314 N -1.68 0.15 0.02 1.54 1.75 -0.19 -1.50 119.30 119.39 3mka s MET 314 Ca -0.04 0.27 -0.08 0.00 -1.25 0.00 0.00 55.69 54.58 3mka s MET 314 Cb -0.10 -0.00 0.00 0.00 2.84 0.00 0.00 34.83 37.57 3mka s MET 314 CO 0.02 -0.07 0.17 0.00 -0.65 0.00 0.00 175.02 174.49 3mka s ALA 315 N 0.46 -0.34 0.03 4.11 0.00 -0.31 -0.52 121.76 125.19 3mka s ALA 315 Ca -0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 51.96 51.65 3mka s ALA 315 Cb -0.05 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 3mka s ALA 315 CO -0.02 -0.29 0.10 0.20 0.00 0.00 0.00 175.76 175.75 3mka s GLY 316 N -1.79 0.15 0.96 0.00 0.00 -0.69 -0.55 107.32 105.40 3mka s GLY 316 Ca -0.09 -0.47 -0.16 0.00 0.00 0.00 0.00 44.72 44.00 3mka s GLY 316 CO -0.01 -0.60 1.32 0.51 0.00 0.00 0.00 173.10 174.32 3mka s ASP 317 N -1.94 3.09 0.00 1.64 1.47 -1.04 -2.24 116.67 117.65 3mka s ASP 317 Ca -0.08 0.27 0.10 0.00 1.18 0.00 0.00 52.55 54.02 3mka s ASP 317 Cb -0.03 -0.31 0.07 0.00 -0.34 0.00 0.00 42.92 42.32 3mka s ASP 317 CO -0.03 -2.75 0.80 0.54 0.68 0.00 0.00 175.17 174.41 3mka n ARG 318 N -3.78 0.64 -3.18 2.11 5.12 -1.26 -4.57 116.66 111.74 3mka n ARG 318 Ca 0.15 -1.05 -0.32 0.00 -1.93 0.00 0.00 57.85 54.70 3mka n ARG 318 Cb 0.59 -1.18 -0.06 0.00 -1.16 0.00 0.00 32.46 30.65 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 -0.92 3.95 -0.03 5.56 3.52 -1.26 -1.96 118.95 127.81 3mka s ARG 319 Ca 0.12 0.58 0.01 0.00 -0.13 0.00 0.00 55.73 56.30 3mka s ARG 319 Cb 0.09 -2.47 0.02 0.00 -1.56 0.00 0.00 34.95 31.03 3mka s ARG 319 CO 0.14 0.17 -0.00 0.45 -0.81 0.00 0.00 175.30 175.25 3mka s SER 320 N -2.35 0.41 0.16 -2.12 0.15 -0.29 -4.60 113.70 105.04 3mka s SER 320 Ca 0.53 -0.03 0.08 0.00 0.70 0.00 0.00 55.95 57.22 3mka s SER 320 Cb -0.10 -0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 63.96 3mka s SER 320 CO 0.19 -0.08 -0.17 0.42 1.20 0.00 0.00 173.24 174.80 3mka s THR 321 N 0.87 1.68 -0.34 6.45 -4.23 -0.39 0.43 115.64 120.11 3mka s THR 321 Ca -0.09 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 3mka s THR 321 Cb -0.12 -1.78 0.11 0.00 1.34 0.00 0.00 72.50 72.05 3mka s THR 321 CO -0.01 -0.37 0.13 -1.10 -0.54 0.00 0.00 174.62 172.73 3mka s GLN 322 N -2.84 0.92 7.59 3.99 -0.21 -0.19 -0.69 119.66 128.23 3mka s GLN 322 Ca 0.15 -1.38 0.00 0.00 0.02 0.00 0.00 55.36 54.15 3mka s GLN 322 Cb -0.05 -2.17 0.00 0.00 1.00 0.00 0.00 33.01 31.79 3mka s GLN 322 CO 0.06 -1.03 0.00 0.41 -2.12 0.00 0.00 175.29 172.61 3mka n GLY 323 N 4.47 2.52 0.02 3.09 0.00 -1.26 -2.06 105.19 111.96 3mka n GLY 323 Ca 0.01 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 8.15 0.65 -4.78 1.61 3.02 -1.26 -4.94 115.26 117.71 3mka n ASN 324 Ca 0.00 -0.42 -0.37 0.00 -0.03 0.00 0.00 54.58 53.76 3mka n ASN 324 Cb 0.00 0.91 -0.06 0.00 -0.61 0.00 0.00 39.78 40.02 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 -3.15 4.57 -0.34 3.52 -1.94 -0.87 -5.00 119.30 116.09 3mka s MET 325 Ca 0.05 1.38 -0.26 0.00 -1.71 0.00 0.00 55.69 55.14 3mka s MET 325 Cb 0.15 -2.83 0.01 0.00 2.01 0.00 0.00 34.83 34.18 3mka s MET 325 CO 0.82 0.26 0.94 0.42 -0.01 0.00 0.00 175.02 177.44 3mka s ILE 326 N -1.57 4.62 -0.11 2.53 1.01 -1.26 -1.02 121.20 125.39 3mka s ILE 326 Ca 0.50 1.36 0.15 0.00 0.00 0.00 0.00 60.65 62.67 3mka s ILE 326 Cb -0.20 -4.31 -0.23 0.00 0.01 0.00 0.00 42.46 37.73 3mka s ILE 326 CO 0.25 -0.44 0.47 -1.54 0.00 0.00 0.00 174.94 173.69 3mka n SER 327 N 6.65 0.53 -3.91 3.58 3.41 0.17 -4.92 113.62 119.12 3mka n SER 327 Ca 0.08 0.25 -0.10 0.00 -0.26 0.00 0.00 58.87 58.83 3mka n SER 327 Cb 0.48 0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 64.75 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 -5.17 0.12 0.00 5.00 0.00 -0.73 -4.94 107.32 101.60 3mka s GLY 328 Ca -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.35 3mka s GLY 328 CO 0.83 -0.41 0.50 -0.96 0.00 0.00 0.00 173.10 173.05 3mka n ARG 329 N 1.54 0.53 0.00 2.90 1.85 -1.25 -1.14 116.66 121.08 3mka n ARG 329 Ca -0.23 -0.62 0.00 0.00 -1.00 0.00 0.00 57.85 56.00 3mka n ARG 329 Cb 0.55 -0.73 0.00 0.00 -1.05 0.00 0.00 32.46 31.24 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 -0.12 0.74 -4.63 2.89 5.75 -1.15 -4.65 116.55 115.37 3mka n ASP 330 Ca 0.00 -1.04 -0.56 0.00 -0.01 0.00 0.00 54.79 53.18 3mka n ASP 330 Cb 0.27 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.29 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 -0.02 0.11 -3.71 2.12 0.31 -0.83 -4.98 118.33 111.33 3mka n VAL 331 Ca 0.00 -0.02 -0.35 0.00 -0.01 0.00 0.00 64.34 63.96 3mka n VAL 331 Cb 0.09 -0.85 -0.08 0.00 -0.91 0.00 0.00 33.84 32.09 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 1.69 4.15 0.00 5.55 3.52 -1.26 -4.26 118.95 128.33 3mka s ARG 332 Ca 0.91 -0.17 0.00 0.00 -0.13 0.00 0.00 55.73 56.35 3mka s ARG 332 Cb -1.07 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 28.92 3mka s ARG 332 CO 0.57 0.33 0.37 1.63 -0.81 0.00 0.00 175.30 177.39 3mka n LYS 333 N 3.41 0.01 -4.96 5.12 5.02 -1.26 -4.68 118.16 120.81 3mka n LYS 333 Ca -0.16 -0.37 -0.32 0.00 -2.02 0.00 0.00 58.31 55.44 3mka n LYS 333 Cb 0.52 -0.86 -0.16 0.00 -0.02 0.00 0.00 35.03 34.51 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 -0.11 2.27 0.02 -0.18 1.01 -1.26 -2.49 120.40 119.66 3mka s VAL 334 Ca 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.06 3mka s VAL 334 Cb 0.00 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 3mka s VAL 334 CO 0.00 0.55 -0.04 -0.31 0.00 0.00 0.00 175.10 175.30 3mka s TYR 335 N 0.49 0.31 -0.22 5.22 2.02 -0.85 -4.98 117.35 119.34 3mka s TYR 335 Ca -0.14 -0.33 -0.29 0.00 -0.37 0.00 0.00 57.07 55.95 3mka s TYR 335 Cb -0.17 -0.20 0.01 0.00 -0.40 0.00 0.00 41.96 41.20 3mka s TYR 335 CO 0.05 -0.09 1.02 0.42 -1.57 0.00 0.00 175.55 175.38 3mka s ILE 336 N -0.88 4.70 -0.24 2.71 1.01 -1.26 -1.13 121.20 126.10 3mka s ILE 336 Ca -0.08 2.00 0.22 0.00 0.00 0.00 0.00 60.65 62.79 3mka s ILE 336 Cb -0.06 -4.30 -0.11 0.00 0.01 0.00 0.00 42.46 38.00 3mka s ILE 336 CO -0.00 -0.16 0.89 0.35 0.00 0.00 0.00 174.94 176.02 3mka n THR 337 N 5.24 0.37 -3.84 2.92 -2.24 -0.12 -4.94 114.28 111.68 3mka n THR 337 Ca 0.11 -0.48 -0.05 0.00 -2.27 0.00 0.00 64.05 61.36 3mka n THR 337 Cb 0.46 -0.15 0.02 0.00 -2.10 0.00 0.00 70.33 68.56 3mka n THR 337 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3mka n ASP 338 N -2.44 -1.93 -0.30 3.42 3.85 -1.09 -4.45 116.55 113.60 3mka n ASP 338 Ca -0.01 -2.17 0.01 0.00 -0.71 0.00 0.00 54.79 51.91 3mka n ASP 338 Cb 0.54 3.18 0.20 0.00 -1.35 0.00 0.00 41.12 43.68 3mka n ASP 338 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3mka h ASP 339 N 1.93 0.98 -0.36 -1.12 3.32 -1.95 -3.11 116.42 116.10 3mka h ASP 339 Ca -0.29 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3mka h ASP 339 Cb 1.19 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3mka h ASP 339 CO 0.38 0.69 0.00 -1.22 -1.72 0.00 0.00 179.24 177.37 3mka n TYR 340 N -4.43 0.68 -3.98 4.55 4.01 -1.26 -2.08 117.16 114.65 3mka n TYR 340 Ca 0.11 -0.60 -0.09 0.00 -0.16 0.00 0.00 57.90 57.17 3mka n TYR 340 Cb 0.08 -0.11 -0.10 0.00 -0.31 0.00 0.00 39.34 38.90 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 -1.52 0.16 -0.01 -0.72 -4.23 -1.18 -1.21 115.64 106.93 3mka s THR 341 Ca 0.31 -1.29 -0.08 0.00 -1.18 0.00 0.00 61.69 59.45 3mka s THR 341 Cb 0.20 -1.04 0.00 0.00 1.34 0.00 0.00 72.50 73.00 3mka s THR 341 CO 0.15 -0.71 0.15 0.00 -0.54 0.00 0.00 174.62 173.67 3mka s ALA 342 N -2.96 -0.37 -0.02 3.99 0.00 -0.17 -0.95 121.76 121.29 3mka s ALA 342 Ca -0.02 -0.02 0.04 0.00 0.00 0.00 0.00 51.96 51.96 3mka s ALA 342 Cb 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 3mka s ALA 342 CO -0.06 -0.20 -0.15 0.95 0.00 0.00 0.00 175.76 176.30 3mka s THR 343 N -1.19 1.22 -0.10 0.00 -4.23 -0.29 -1.65 115.64 109.39 3mka s THR 343 Ca -0.13 -0.64 0.03 0.00 -1.18 0.00 0.00 61.69 59.77 3mka s THR 343 Cb -0.07 -1.03 0.00 0.00 1.34 0.00 0.00 72.50 72.75 3mka s THR 343 CO 0.02 0.35 -0.21 -0.83 -0.54 0.00 0.00 174.62 173.40 3mka s GLY 344 N -0.23 1.24 -0.08 3.99 0.00 -0.50 -2.02 107.32 109.73 3mka s GLY 344 Ca 0.03 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 43.88 3mka s GLY 344 CO 0.00 -0.17 -0.17 -0.42 0.00 0.00 0.00 173.10 172.34 3mka s ILE 345 N 0.53 1.51 -0.29 0.90 1.01 -1.04 -0.45 121.20 123.36 3mka s ILE 345 Ca -0.15 -0.70 -0.24 0.00 0.00 0.00 0.00 60.65 59.56 3mka s ILE 345 Cb -0.17 -1.34 -0.00 0.00 0.01 0.00 0.00 42.46 40.96 3mka s ILE 345 CO 0.05 0.44 0.80 0.00 0.00 0.00 0.00 174.94 176.23 3mka s ALA 346 N 0.50 3.55 0.00 9.38 0.00 -1.23 -4.80 121.76 129.17 3mka s ALA 346 Ca -0.16 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.44 3mka s ALA 346 Cb -0.16 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3mka s ALA 346 CO 0.06 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.07 3mka n GLY 347 N 4.11 -0.49 3.75 0.00 0.00 -1.26 -4.40 105.19 106.90 3mka n GLY 347 Ca 0.04 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.40 2.29 0.22 2.61 2.01 -1.24 -4.57 115.64 113.56 3mka s THR 348 Ca 0.00 0.20 -0.09 0.00 0.31 0.00 0.00 61.69 62.11 3mka s THR 348 Cb 0.00 -3.09 0.18 0.00 0.01 0.00 0.00 72.50 69.60 3mka s THR 348 CO 0.00 -0.02 1.85 0.00 -0.69 0.00 0.00 174.62 175.76 3mka h ALA 349 N 1.12 1.06 -0.46 7.40 0.00 -1.90 -0.21 119.26 126.27 3mka h ALA 349 Ca -0.51 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 3mka h ALA 349 Cb 1.31 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3mka h ALA 349 CO 0.56 0.54 0.16 0.00 0.00 0.00 0.00 179.25 180.51 3mka h ALA 350 N 1.26 0.60 -0.61 0.00 0.00 -1.92 -1.89 119.26 116.69 3mka h ALA 350 Ca 0.29 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3mka h ALA 350 Cb -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3mka h ALA 350 CO -0.05 0.23 0.13 0.28 0.00 0.00 0.00 179.25 179.84 3mka h VAL 351 N 0.60 1.26 -0.66 0.00 2.07 -1.83 0.24 116.25 117.92 3mka h VAL 351 Ca 0.15 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 3mka h VAL 351 Cb 0.24 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3mka h VAL 351 CO -0.01 0.35 0.24 0.00 0.02 0.00 0.00 177.57 178.17 3mka h ALA 352 N 1.04 1.17 -0.01 1.67 0.00 -0.95 -0.64 119.26 121.54 3mka h ALA 352 Ca 0.19 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3mka h ALA 352 Cb 0.38 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.92 3mka h ALA 352 CO 0.01 0.59 -0.69 -0.24 0.00 0.00 0.00 179.25 178.91 3mka h VAL 353 N 0.96 1.39 -0.41 0.00 3.04 -1.05 -2.74 116.25 117.44 3mka h VAL 353 Ca 0.22 -2.09 -0.01 0.00 -1.01 0.00 0.00 66.70 63.80 3mka h VAL 353 Cb 0.23 2.52 -0.02 0.00 -2.01 0.00 0.00 31.29 32.00 3mka h VAL 353 CO -0.01 0.62 0.21 -0.08 -1.01 0.00 0.00 177.57 177.30 3mka h GLU 354 N 0.03 0.57 -0.59 4.17 4.81 -0.32 0.29 114.58 123.54 3mka h GLU 354 Ca -0.08 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 3mka h GLU 354 Cb 1.38 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 3mka h GLU 354 CO 0.14 0.48 0.21 0.74 -0.73 0.00 0.00 179.01 179.84 3mka h PHE 355 N 0.52 0.93 -0.66 0.92 -1.00 -1.20 -0.40 116.94 116.05 3mka h PHE 355 Ca 0.14 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 3mka h PHE 355 Cb 0.08 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 39.33 3mka h PHE 355 CO -0.02 0.76 0.36 0.00 -1.61 0.00 0.00 178.31 177.80 3mka h ALA 356 N 1.07 0.85 -0.53 2.45 0.00 -1.16 -0.24 119.26 121.70 3mka h ALA 356 Ca 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3mka h ALA 356 Cb 0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3mka h ALA 356 CO -0.01 0.37 0.26 -0.09 0.00 0.00 0.00 179.25 179.79 3mka h ARG 357 N 0.91 0.77 -0.51 0.00 2.43 -0.56 0.54 114.38 117.96 3mka h ARG 357 Ca 0.23 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 3mka h ARG 357 Cb 0.05 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3mka h ARG 357 CO -0.04 0.62 0.05 1.25 -1.51 0.00 0.00 179.97 180.35 3mka h LEU 358 N 0.72 0.84 -0.56 3.80 5.85 -0.71 -0.40 115.31 124.84 3mka h LEU 358 Ca 0.18 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 3mka h LEU 358 Cb 0.10 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3mka h LEU 358 CO -0.02 0.91 -0.01 0.22 -0.34 0.00 0.00 178.44 179.20 3mka h TYR 359 N 0.74 1.09 -0.54 1.25 3.20 -0.66 0.10 116.97 122.16 3mka h TYR 359 Ca 0.15 -0.19 -0.04 0.00 3.14 0.00 0.00 58.73 61.79 3mka h TYR 359 Cb 0.45 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3mka h TYR 359 CO 0.03 0.99 0.18 0.00 -1.64 0.00 0.00 178.16 177.72 3mka h ALA 360 N 0.96 0.71 -0.41 1.82 0.00 0.29 -1.15 119.26 121.49 3mka h ALA 360 Ca 0.16 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3mka h ALA 360 Cb 0.55 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3mka h ALA 360 CO 0.03 0.36 0.06 0.28 0.00 0.00 0.00 179.25 179.98 3mka h VAL 361 N 0.75 1.24 -0.91 0.00 2.07 -0.79 -2.05 116.25 116.57 3mka h VAL 361 Ca 0.18 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.86 3mka h VAL 361 Cb 0.27 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3mka h VAL 361 CO -0.01 0.30 0.60 -0.08 0.02 0.00 0.00 177.57 178.40 3mka h GLU 362 N 0.53 1.08 -0.14 1.57 4.57 -0.54 0.27 114.58 121.92 3mka h GLU 362 Ca 0.12 -0.07 -0.10 0.00 -1.18 0.00 0.00 59.36 58.14 3mka h GLU 362 Cb 0.38 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3mka h GLU 362 CO 0.01 0.72 -0.30 -0.07 -1.18 0.00 0.00 179.01 178.18 3mka h LEU 363 N 1.11 0.51 -0.97 1.64 4.07 -1.00 -2.78 115.31 117.88 3mka h LEU 363 Ca 0.37 -0.56 -0.09 0.00 0.08 0.00 0.00 57.88 57.68 3mka h LEU 363 Cb 0.06 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 3mka h LEU 363 CO -0.12 0.98 -0.41 -0.08 -1.08 0.00 0.00 178.44 177.72 3mka h GLU 364 N 0.06 0.00 -0.28 1.13 4.81 -1.18 -2.74 114.58 116.38 3mka h GLU 364 Ca 0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 3mka h GLU 364 Cb 0.90 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 3mka h GLU 364 CO 0.07 0.41 -0.09 1.25 -0.73 0.00 0.00 179.01 179.92 3mka h HIS 365 N 0.00 0.62 -0.45 0.92 2.76 -0.91 -1.40 115.15 116.69 3mka h HIS 365 Ca -0.00 -0.14 -0.06 0.00 -2.20 0.00 0.00 60.37 57.97 3mka h HIS 365 Cb 0.89 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.68 3mka h HIS 365 CO 0.00 0.77 0.05 -0.92 -1.30 0.00 0.00 177.93 176.53 3mka h TYR 366 N 0.30 0.74 -0.57 5.26 3.20 -1.38 -1.00 116.97 123.52 3mka h TYR 366 Ca 0.07 -0.08 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 3mka h TYR 366 Cb 0.58 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3mka h TYR 366 CO 0.06 0.67 -0.01 1.49 -1.64 0.00 0.00 178.16 178.72 3mka h GLU 367 N 0.68 1.02 -0.16 1.82 4.81 -1.22 -1.00 114.58 120.53 3mka h GLU 367 Ca 0.14 -0.33 -0.17 0.00 -0.13 0.00 0.00 59.36 58.88 3mka h GLU 367 Cb 0.35 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3mka h GLU 367 CO 0.01 1.02 -0.59 0.87 -0.73 0.00 0.00 179.01 179.58 3mka h LYS 368 N 0.91 0.52 -0.23 1.92 1.57 -0.93 0.46 116.57 120.79 3mka h LYS 368 Ca 0.16 -0.34 -0.16 0.00 -1.87 0.00 0.00 60.65 58.44 3mka h LYS 368 Cb 0.57 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3mka h LYS 368 CO 0.03 0.96 -0.51 -0.07 -0.57 0.00 0.00 179.45 179.29 3mka h LEU 369 N 0.39 0.71 -1.63 2.94 3.38 -0.98 -3.29 115.31 116.84 3mka h LEU 369 Ca -0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3mka h LEU 369 Cb 1.14 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3mka h LEU 369 CO 0.11 1.09 -0.00 -0.62 0.09 0.00 0.00 178.44 179.11 3mka n GLU 370 N -3.99 1.28 -0.91 1.13 -0.58 -0.40 -4.97 120.64 112.20 3mka n GLU 370 Ca -0.03 -1.47 0.00 0.00 -0.42 0.00 0.00 57.16 55.24 3mka n GLU 370 Cb 0.59 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 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 0.92 0.21 3.24 0.62 0.00 0.16 -4.95 105.19 105.39 3mka n GLY 371 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.50 -0.00 0.67 1.61 0.11 -1.16 -5.00 120.40 115.13 3mka s VAL 372 Ca 0.00 0.01 -0.15 0.00 -2.93 0.00 0.00 61.98 58.91 3mka s VAL 372 Cb 0.00 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.35 3mka s VAL 372 CO 0.00 0.01 1.15 -2.16 -3.33 0.00 0.00 175.10 170.76 3mka s PRO 373 N 0.32 2.62 0.72 1.54 0.04 -1.26 -4.25 135.00 134.73 3mka s PRO 373 Ca -0.01 1.54 -0.15 0.00 0.04 0.00 0.00 61.00 62.43 3mka s PRO 373 Cb -0.03 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.63 3mka s PRO 373 CO -0.01 -1.42 1.18 -0.51 0.04 0.00 0.00 177.00 176.28 3mka s LEU 374 N -4.87 3.31 0.76 -3.56 1.02 -1.26 -5.00 118.68 109.08 3mka s LEU 374 Ca 0.70 2.25 -0.11 0.00 0.02 0.00 0.00 54.13 57.00 3mka s LEU 374 Cb -0.24 -4.58 0.05 0.00 0.02 0.00 0.00 46.19 41.44 3mka s LEU 374 CO 0.41 -2.14 1.08 0.42 0.02 0.00 0.00 176.35 176.14 3mka s THR 375 N -2.11 3.47 0.16 5.49 -4.23 -1.26 -4.79 115.64 112.37 3mka s THR 375 Ca 0.72 0.48 -0.18 0.00 -1.18 0.00 0.00 61.69 61.53 3mka s THR 375 Cb -0.27 -3.12 0.08 0.00 1.34 0.00 0.00 72.50 70.53 3mka s THR 375 CO 0.45 -0.62 1.67 0.15 -0.54 0.00 0.00 174.62 175.72 3mka h PHE 376 N -1.01 -0.23 -0.75 3.99 3.57 -1.96 -0.11 116.94 120.44 3mka h PHE 376 Ca -0.45 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.19 3mka h PHE 376 Cb 1.24 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 40.08 3mka h PHE 376 CO 0.55 -0.17 0.49 0.00 -2.23 0.00 0.00 178.31 176.95 3mka h ALA 377 N 1.34 1.87 -0.11 2.41 0.00 -2.00 -0.67 119.26 122.10 3mka h ALA 377 Ca 0.18 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 3mka h ALA 377 Cb 0.29 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3mka h ALA 377 CO -0.39 -0.04 -0.68 0.78 0.00 0.00 0.00 179.25 178.92 3mka h GLY 378 N 0.61 0.53 1.00 0.00 0.00 -1.44 -1.37 103.07 102.40 3mka h GLY 378 Ca 0.35 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 3mka h GLY 378 CO -0.13 0.63 0.31 0.50 0.00 0.00 0.00 176.54 177.85 3mka h LYS 379 N 0.34 0.94 0.16 4.80 1.57 0.35 -1.79 116.57 122.94 3mka h LYS 379 Ca -0.02 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 3mka h LYS 379 Cb 1.25 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 3mka h LYS 379 CO 0.12 0.75 -0.09 0.82 -0.57 0.00 0.00 179.45 180.49 3mka h ILE 380 N 0.90 0.81 -0.52 1.86 2.04 -1.18 -1.45 117.51 119.98 3mka h ILE 380 Ca 0.22 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.16 3mka h ILE 380 Cb 0.12 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3mka h ILE 380 CO -0.03 0.00 0.35 -1.13 0.00 0.00 0.00 178.15 177.34 3mka h ASN 381 N -0.23 0.33 -0.12 1.72 -0.73 -1.11 0.13 115.58 115.57 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 0.19 -0.07 0.01 0.00 0.27 0.00 0.00 38.32 38.73 3mka h ASN 381 CO 0.02 0.21 -0.79 -0.09 -0.37 0.00 0.00 177.43 176.41 3mka h ARG 382 N 0.37 0.74 -0.89 6.67 9.65 -0.91 -1.34 114.38 128.68 3mka h ARG 382 Ca 0.23 -0.64 -0.02 0.00 -1.10 0.00 0.00 59.98 58.45 3mka h ARG 382 Cb 0.44 0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 29.12 3mka h ARG 382 CO -0.06 1.25 0.48 1.25 2.80 0.00 0.00 179.97 185.69 3mka h LEU 383 N 0.45 1.11 -0.76 3.80 5.85 -0.13 -1.55 115.31 124.09 3mka h LEU 383 Ca -0.07 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 3mka h LEU 383 Cb 1.43 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 3mka h LEU 383 CO 0.16 0.90 0.35 0.00 -0.34 0.00 0.00 178.44 179.51 3mka h ALA 384 N 1.28 0.98 -0.60 1.25 0.00 -0.60 -1.67 119.26 119.90 3mka h ALA 384 Ca 0.31 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3mka h ALA 384 Cb 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3mka h ALA 384 CO -0.05 0.56 0.15 0.82 0.00 0.00 0.00 179.25 180.72 3mka h ILE 385 N 1.07 1.25 -0.54 0.00 2.04 -0.55 -1.07 117.51 119.72 3mka h ILE 385 Ca 0.26 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 3mka h ILE 385 Cb 0.14 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3mka h ILE 385 CO -0.03 0.34 0.17 0.24 0.00 0.00 0.00 178.15 178.87 3mka h MET 386 N 0.86 0.83 -0.65 2.37 2.86 -1.01 -2.83 114.93 117.37 3mka h MET 386 Ca 0.19 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 3mka h MET 386 Cb 0.35 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 3mka h MET 386 CO 0.00 0.76 0.16 0.28 1.06 0.00 0.00 176.91 179.18 3mka h VAL 387 N 0.74 1.26 -0.13 -2.22 2.07 -1.12 -3.02 116.25 113.83 3mka h VAL 387 Ca 0.17 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 3mka h VAL 387 Cb 0.27 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3mka h VAL 387 CO -0.01 0.35 0.02 -0.09 0.02 0.00 0.00 177.57 177.87 3mka h ARG 388 N 0.97 0.18 -0.48 1.57 2.43 -1.08 -0.93 114.38 117.03 3mka h ARG 388 Ca 0.21 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3mka h ARG 388 Cb 0.36 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3mka h ARG 388 CO 0.00 0.18 0.00 0.41 -1.51 0.00 0.00 179.97 179.05 3mka n GLY 389 N -1.33 0.57 0.00 2.80 0.00 -1.08 -3.22 105.19 102.92 3mka n GLY 389 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.01 1.11 -0.24 1.61 5.15 -0.36 -4.77 115.26 117.75 3mka n ASN 390 Ca 0.05 -1.20 0.10 0.00 -0.60 0.00 0.00 54.58 52.92 3mka n ASN 390 Cb 0.25 0.00 0.36 0.00 -0.53 0.00 0.00 39.78 39.86 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 0.00 0.67 0.58 1.20 5.85 -1.64 0.77 115.31 122.74 3mka h LEU 391 Ca 0.00 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3mka h LEU 391 Cb 0.16 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.09 3mka h LEU 391 CO 0.00 0.38 -0.28 0.00 -0.34 0.00 0.00 178.44 178.20 3mka h ALA 392 N 1.59 -0.78 -0.10 1.25 0.00 -1.86 -2.50 119.26 116.86 3mka h ALA 392 Ca 0.40 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3mka h ALA 392 Cb 0.54 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3mka h ALA 392 CO -0.17 -0.82 0.09 0.00 0.00 0.00 0.00 179.25 178.35 3mka h ALA 393 N -0.76 1.86 0.00 0.00 0.00 -1.81 -1.75 119.26 116.80 3mka h ALA 393 Ca -0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3mka h ALA 393 Cb 0.66 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3mka h ALA 393 CO 0.13 -0.14 -0.17 0.00 0.00 0.00 0.00 179.25 179.07 3mka h ALA 394 N 1.92 0.95 0.00 0.00 0.00 -0.60 -1.95 119.26 119.59 3mka h ALA 394 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3mka h ALA 394 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3mka h ALA 394 CO -0.00 0.22 0.00 0.52 0.00 0.00 0.00 179.25 179.99 3mka h MET 395 N 0.00 0.00 -0.49 0.00 2.86 -0.88 -3.03 114.93 113.39 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 0.87 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.53 3mka h MET 395 CO 0.02 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.03 3mka n GLN 396 N -2.96 3.78 0.00 1.72 6.02 -1.01 -4.97 117.38 119.97 3mka n GLN 396 Ca 0.03 -2.88 0.00 0.00 -0.01 0.00 0.00 57.00 54.14 3mka n GLN 396 Cb 0.45 -1.93 0.00 0.00 1.02 0.00 0.00 30.24 29.78 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 0.47 3.40 2.35 1.08 0.00 -1.14 -4.97 105.19 106.37 3mka n GLY 397 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 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 7.75 -4.71 0.99 4.77 -0.77 -4.95 117.00 120.09 3mka n LEU 398 Ca 0.00 -4.35 -0.42 0.00 -0.03 0.00 0.00 56.01 51.21 3mka n LEU 398 Cb 0.00 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 39.63 3mka n LEU 398 CO 0.00 1.98 0.64 -0.22 -1.33 0.00 0.00 177.39 178.46 3mka s LEU 399 N -0.96 4.38 -0.25 2.23 2.96 -1.26 -3.94 118.68 121.84 3mka s LEU 399 Ca 0.63 1.61 -0.00 0.00 -0.22 0.00 0.00 54.13 56.14 3mka s LEU 399 Cb 0.23 -3.50 0.07 0.00 0.50 0.00 0.00 46.19 43.49 3mka s LEU 399 CO -0.08 -0.22 0.02 0.00 -1.32 0.00 0.00 176.35 174.75 3mka s ALA 400 N 0.87 1.69 -0.41 5.97 0.00 -1.26 -4.92 121.76 123.69 3mka s ALA 400 Ca 0.49 -1.38 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 3mka s ALA 400 Cb -0.21 -1.47 0.09 0.00 0.00 0.00 0.00 23.12 21.53 3mka s ALA 400 CO 0.27 -1.36 0.24 -1.17 0.00 0.00 0.00 175.76 173.73 3mka s LEU 401 N 1.53 5.11 0.33 0.00 2.96 -1.26 -4.98 118.68 122.37 3mka s LEU 401 Ca 0.01 -1.61 -0.12 0.00 -0.22 0.00 0.00 54.13 52.18 3mka s LEU 401 Cb -0.18 -1.94 -0.08 0.00 0.50 0.00 0.00 46.19 44.49 3mka s LEU 401 CO -0.12 -0.53 0.70 -2.16 -1.32 0.00 0.00 176.35 172.93 3mka s PRO 402 N 1.35 3.89 -0.12 0.98 0.04 -1.26 -3.52 135.00 136.37 3mka s PRO 402 Ca 0.03 0.51 0.03 0.00 0.04 0.00 0.00 61.00 61.62 3mka s PRO 402 Cb -0.23 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.85 3mka s PRO 402 CO 0.00 0.13 -0.22 -1.17 0.04 0.00 0.00 177.00 175.79 3mka s LEU 403 N -3.22 2.19 -0.09 -3.56 2.96 0.40 -3.28 118.68 114.08 3mka s LEU 403 Ca 0.52 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 3mka s LEU 403 Cb -0.10 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 3mka s LEU 403 CO 0.22 0.13 -0.12 -0.22 -1.32 0.00 0.00 176.35 175.04 3mka s LEU 404 N 0.52 2.82 -0.06 -0.68 2.96 0.66 -1.40 118.68 123.50 3mka s LEU 404 Ca -0.14 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 3mka s LEU 404 Cb -0.17 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 44.92 3mka s LEU 404 CO 0.05 0.27 -0.15 0.00 -1.32 0.00 0.00 176.35 175.20 3mka s ALA 405 N -0.26 1.38 0.16 5.97 0.00 -0.66 -0.09 121.76 128.26 3mka s ALA 405 Ca 0.02 -0.55 -0.16 0.00 0.00 0.00 0.00 51.96 51.28 3mka s ALA 405 Cb -0.13 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.48 3mka s ALA 405 CO 0.03 0.19 0.45 0.20 0.00 0.00 0.00 175.76 176.63 3mka s GLY 406 N 0.37 -0.10 -0.14 0.00 0.00 -0.18 -1.00 107.32 106.28 3mka s GLY 406 Ca -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 44.72 44.38 3mka s GLY 406 CO 0.03 -0.34 -0.11 -0.47 0.00 0.00 0.00 173.10 172.20 3mka s TYR 407 N -3.86 2.85 -0.40 1.90 5.04 -0.35 0.78 117.35 123.30 3mka s TYR 407 Ca 0.08 -0.65 -0.16 0.00 -2.44 0.00 0.00 57.07 53.89 3mka s TYR 407 Cb 0.01 -1.88 0.01 0.00 0.35 0.00 0.00 41.96 40.45 3mka s TYR 407 CO -0.06 -0.23 0.40 0.34 -1.34 0.00 0.00 175.55 174.66 3mka s ASP 408 N 0.47 6.18 0.28 4.32 2.15 -0.82 -4.87 116.67 124.37 3mka s ASP 408 Ca -0.08 -0.61 -0.01 0.00 0.43 0.00 0.00 52.55 52.27 3mka s ASP 408 Cb -0.16 -2.21 0.41 0.00 -0.30 0.00 0.00 42.92 40.66 3mka s ASP 408 CO 0.04 -0.51 1.81 0.16 -0.17 0.00 0.00 175.17 176.50 3mka h ILE 409 N 5.67 1.23 -0.01 4.11 3.07 -1.98 -2.57 117.51 127.03 3mka h ILE 409 Ca -0.27 -0.86 0.00 0.00 1.55 0.00 0.00 64.86 65.27 3mka h ILE 409 Cb 1.12 0.77 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 3mka h ILE 409 CO 0.76 0.31 -0.00 1.41 -1.05 0.00 0.00 178.15 179.58 3mka n HIS 410 N -4.26 0.00 -1.91 0.16 8.25 -1.26 -4.88 115.22 111.33 3mka n HIS 410 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 3mka n HIS 410 Cb 0.25 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.35 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 -2.01 3.55 0.22 -1.41 0.00 -0.97 -4.91 121.76 116.23 3mka s ALA 411 Ca 0.43 1.47 -0.08 0.00 0.00 0.00 0.00 51.96 53.79 3mka s ALA 411 Cb 0.21 -3.57 0.18 0.00 0.00 0.00 0.00 23.12 19.95 3mka s ALA 411 CO 0.36 -0.92 1.81 1.03 0.00 0.00 0.00 175.76 178.04 3mka h SER 412 N 3.16 1.10 -3.40 0.00 0.87 -1.89 -3.40 113.55 109.98 3mka h SER 412 Ca -0.50 -0.14 -0.65 0.00 -1.23 0.00 0.00 61.79 59.27 3mka h SER 412 Cb 1.23 -0.28 -0.25 0.00 -0.44 0.00 0.00 62.40 62.66 3mka h SER 412 CO 0.65 0.93 -0.70 -0.62 -0.53 0.00 0.00 176.83 176.56 3mka s ASP 413 N -6.28 4.51 0.24 6.23 3.68 -1.26 -5.00 116.67 118.79 3mka s ASP 413 Ca -0.13 -0.29 -0.05 0.00 2.13 0.00 0.00 52.55 54.22 3mka s ASP 413 Cb 0.16 -1.76 0.27 0.00 -1.45 0.00 0.00 42.92 40.14 3mka s ASP 413 CO 0.83 0.05 1.80 -0.65 0.13 0.00 0.00 175.17 177.33 3mka h PRO 414 N 7.62 1.03 -0.67 4.34 0.11 -1.95 -2.42 132.00 140.06 3mka h PRO 414 Ca -0.37 -0.20 -0.03 0.00 0.11 0.00 0.00 66.00 65.51 3mka h PRO 414 Cb 1.18 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 3mka h PRO 414 CO 0.60 0.87 0.28 1.96 -0.21 0.00 0.00 178.00 181.50 3mka h GLN 415 N 1.00 0.98 -0.67 1.05 1.08 -1.93 -2.63 115.11 113.99 3mka h GLN 415 Ca 0.23 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3mka h GLN 415 Cb 0.25 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3mka h GLN 415 CO -0.01 0.78 0.00 -1.13 -0.95 0.00 0.00 178.83 177.52 3mka n SER 416 N -4.31 4.62 -0.05 1.46 3.41 -1.13 -0.07 113.62 117.55 3mka n SER 416 Ca 0.06 -2.38 0.01 0.00 -0.26 0.00 0.00 58.87 56.30 3mka n SER 416 Cb 0.16 -0.57 0.32 0.00 -0.26 0.00 0.00 64.21 63.86 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 4.18 1.48 -3.00 7.33 0.00 -1.04 -3.45 119.26 124.76 3mka h ALA 417 Ca 0.00 -0.12 -0.55 0.00 0.00 0.00 0.00 54.91 54.24 3mka h ALA 417 Cb 1.38 -0.19 0.13 0.00 0.00 0.00 0.00 17.79 19.11 3mka h ALA 417 CO 0.20 0.40 0.65 0.20 0.00 0.00 0.00 179.25 180.70 3mka s GLY 418 N -3.70 2.90 0.00 0.00 0.00 -1.26 -1.95 107.32 103.32 3mka s GLY 418 Ca -0.09 1.38 0.01 0.00 0.00 0.00 0.00 44.72 46.03 3mka s GLY 418 CO 0.76 1.94 -0.04 0.50 0.00 0.00 0.00 173.10 176.26 3mka s ARG 419 N -2.71 0.33 -0.06 2.90 1.81 0.23 -4.91 118.95 116.54 3mka s ARG 419 Ca 0.67 -0.25 0.01 0.00 -1.72 0.00 0.00 55.73 54.44 3mka s ARG 419 Cb -0.42 -0.27 0.02 0.00 -0.45 0.00 0.00 34.95 33.84 3mka s ARG 419 CO 0.51 0.07 -0.07 0.42 -0.68 0.00 0.00 175.30 175.55 3mka s ILE 420 N -0.35 0.81 -0.05 1.52 1.01 -1.26 -1.01 121.20 121.88 3mka s ILE 420 Ca -0.01 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.40 3mka s ILE 420 Cb -0.03 -0.80 0.02 0.00 0.01 0.00 0.00 42.46 41.65 3mka s ILE 420 CO -0.00 0.30 -0.08 -0.69 0.00 0.00 0.00 174.94 174.47 3mka s VAL 421 N 1.03 0.78 0.23 2.92 1.01 0.87 -1.44 120.40 125.80 3mka s VAL 421 Ca -0.09 -0.29 0.10 0.00 0.00 0.00 0.00 61.98 61.70 3mka s VAL 421 Cb -0.14 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 3mka s VAL 421 CO -0.00 0.27 -0.08 -0.94 0.00 0.00 0.00 175.10 174.35 3mka s SER 422 N 0.66 4.27 -0.03 3.32 1.04 -0.57 -0.24 113.70 122.14 3mka s SER 422 Ca -0.11 -0.67 0.04 0.00 0.48 0.00 0.00 55.95 55.70 3mka s SER 422 Cb -0.14 -0.71 -0.00 0.00 0.10 0.00 0.00 66.02 65.27 3mka s SER 422 CO 0.01 0.06 -0.15 -0.36 0.98 0.00 0.00 173.24 173.78 3mka s PHE 423 N -2.04 1.50 0.63 5.02 0.08 -1.20 -1.06 117.98 120.90 3mka s PHE 423 Ca 0.28 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.93 3mka s PHE 423 Cb -0.07 -1.01 0.06 0.00 -0.57 0.00 0.00 43.02 41.43 3mka s PHE 423 CO 0.17 -0.12 0.88 0.16 -0.10 0.00 0.00 175.22 176.22 3mka s ASP 424 N -0.04 4.96 0.53 1.36 1.47 0.28 -4.68 116.67 120.55 3mka s ASP 424 Ca -0.01 0.05 0.33 0.00 1.18 0.00 0.00 52.55 54.10 3mka s ASP 424 Cb -0.10 -0.77 1.82 0.00 -0.34 0.00 0.00 42.92 43.54 3mka s ASP 424 CO 0.01 -1.41 2.02 0.00 0.68 0.00 0.00 175.17 176.47 3mka h ALA 425 N -0.23 1.04 -0.30 2.11 0.00 -1.93 -1.83 119.26 118.12 3mka h ALA 425 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3mka h ALA 425 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3mka h ALA 425 CO 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.72 3mka n ALA 426 N -1.93 2.46 -0.12 0.00 0.00 -1.26 -4.46 120.51 115.20 3mka n ALA 426 Ca -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.61 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 1.36 0.63 3.74 0.00 0.00 -0.69 -4.62 105.19 105.61 3mka n GLY 427 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.57 1.74 0.16 -0.02 0.00 -1.26 -4.77 107.32 101.60 3mka s GLY 428 Ca 0.00 1.55 0.10 0.00 0.00 0.00 0.00 44.72 46.37 3mka s GLY 428 CO 0.00 2.67 -0.20 0.66 0.00 0.00 0.00 173.10 176.23 3mka s TRP 429 N 0.53 2.42 -0.03 1.90 1.48 -1.26 -0.55 118.94 123.44 3mka s TRP 429 Ca 0.68 -0.31 -0.01 0.00 -1.06 0.00 0.00 56.10 55.40 3mka s TRP 429 Cb -0.48 -1.23 0.03 0.00 -1.16 0.00 0.00 33.47 30.63 3mka s TRP 429 CO 0.40 0.45 0.05 1.21 -4.06 0.00 0.00 176.95 175.01 3mka s ASN 430 N -2.50 0.03 -0.18 -2.66 2.47 -0.23 -4.97 114.94 106.91 3mka s ASN 430 Ca 0.20 0.08 -0.24 0.00 0.42 0.00 0.00 52.86 53.32 3mka s ASN 430 Cb -0.09 -0.02 -0.02 0.00 -1.45 0.00 0.00 41.25 39.67 3mka s ASN 430 CO 0.10 -0.12 0.78 -0.63 -3.72 0.00 0.00 177.10 173.51 3mka s ILE 431 N 1.02 4.92 0.06 -5.21 1.01 -1.26 -1.51 121.20 120.23 3mka s ILE 431 Ca -0.08 1.51 -0.31 0.00 0.00 0.00 0.00 60.65 61.77 3mka s ILE 431 Cb -0.12 -4.09 -0.06 0.00 0.01 0.00 0.00 42.46 38.20 3mka s ILE 431 CO -0.03 0.05 1.29 -1.61 0.00 0.00 0.00 174.94 174.64 3mka s GLU 432 N 2.09 4.37 -0.02 2.79 0.41 -0.52 -4.93 118.70 122.89 3mka s GLU 432 Ca 0.36 1.89 0.20 0.00 -0.41 0.00 0.00 54.97 57.01 3mka s GLU 432 Cb -0.16 -3.35 -0.30 0.00 -1.78 0.00 0.00 34.13 28.54 3mka s GLU 432 CO 0.12 -0.37 0.48 0.39 -0.49 0.00 0.00 175.26 175.39 3mka n GLU 433 N 4.20 0.61 0.29 1.61 -0.58 -1.26 -4.40 120.64 121.10 3mka n GLU 433 Ca 0.10 -0.16 0.19 0.00 -0.42 0.00 0.00 57.16 56.88 3mka n GLU 433 Cb 0.45 -1.46 0.95 0.00 -0.57 0.00 0.00 31.44 30.80 3mka n GLU 433 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3mka h GLU 434 N 0.00 0.00 0.00 3.49 4.39 -2.00 -3.46 114.58 117.00 3mka h GLU 434 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3mka h GLU 434 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 3mka h GLU 434 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 3mka n GLY 435 N -0.69 2.50 3.52 -3.84 0.00 -1.26 -5.03 105.19 100.39 3mka n GLY 435 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.67 -0.04 0.15 1.61 -0.85 -1.26 -0.43 117.35 113.85 3mka s TYR 436 Ca 0.00 -0.31 -0.24 0.00 -0.52 0.00 0.00 57.07 56.00 3mka s TYR 436 Cb 0.00 0.35 0.06 0.00 0.38 0.00 0.00 41.96 42.76 3mka s TYR 436 CO 0.00 -0.92 0.80 -1.14 -1.52 0.00 0.00 175.55 172.77 3mka s GLN 437 N -3.89 1.27 0.06 -3.49 2.00 -0.29 -4.93 119.66 110.40 3mka s GLN 437 Ca 0.11 -0.61 -0.21 0.00 -2.00 0.00 0.00 55.36 52.66 3mka s GLN 437 Cb -0.01 0.49 0.05 0.00 0.80 0.00 0.00 33.01 34.34 3mka s GLN 437 CO -0.01 -0.57 0.48 0.00 -0.50 0.00 0.00 175.29 174.69 3mka s ALA 438 N -3.51 -1.21 0.04 1.58 0.00 -1.26 -1.86 121.76 115.53 3mka s ALA 438 Ca 0.07 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 3mka s ALA 438 Cb -0.02 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 3mka s ALA 438 CO -0.03 -0.53 0.07 0.14 0.00 0.00 0.00 175.76 175.41 3mka s VAL 439 N -2.73 0.14 0.00 0.00 -7.23 -0.30 -4.91 120.40 105.37 3mka s VAL 439 Ca -0.04 -1.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 3mka s VAL 439 Cb -0.00 -0.86 0.00 0.00 0.56 0.00 0.00 36.38 36.07 3mka s VAL 439 CO -0.04 -0.62 0.00 0.61 -0.31 0.00 0.00 175.10 174.74 3mka n GLY 440 N 0.82 0.08 0.23 2.32 0.00 -1.26 -0.85 105.19 106.54 3mka n GLY 440 Ca -0.19 -2.29 0.10 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.39 1.61 4.64 -1.65 -2.90 113.55 114.86 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 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 3mka n GLY 442 N -0.36 3.23 0.32 -0.77 0.00 -1.26 -4.64 105.19 101.71 3mka n GLY 442 Ca -0.01 -0.73 0.16 0.00 0.00 0.00 0.00 46.02 45.43 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 2.44 0.00 -0.14 1.61 4.64 -1.74 -1.16 113.55 119.19 3mka h SER 443 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 3mka h SER 443 Cb 1.17 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3mka h SER 443 CO 0.14 0.00 -0.75 -0.07 -0.87 0.00 0.00 176.83 175.28 3mka h LEU 444 N 0.00 0.93 -0.51 5.97 4.07 -1.84 -0.54 115.31 123.39 3mka h LEU 444 Ca 0.07 -0.59 -0.08 0.00 0.08 0.00 0.00 57.88 57.36 3mka h LEU 444 Cb 0.36 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 3mka h LEU 444 CO -0.00 1.39 0.01 -0.26 -1.08 0.00 0.00 178.44 178.50 3mka h PHE 445 N 0.55 0.97 -0.43 1.13 0.04 -1.61 -1.79 116.94 115.80 3mka h PHE 445 Ca -0.04 -0.17 -0.10 0.00 2.80 0.00 0.00 57.97 60.46 3mka h PHE 445 Cb 1.37 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 39.25 3mka h PHE 445 CO 0.08 0.90 -0.13 0.00 -0.60 0.00 0.00 178.31 178.57 3mka h ALA 446 N 0.94 0.96 -0.47 2.45 0.00 -1.22 -1.51 119.26 120.41 3mka h ALA 446 Ca 0.14 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3mka h ALA 446 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3mka h ALA 446 CO 0.02 0.61 -0.21 0.87 0.00 0.00 0.00 179.25 180.54 3mka h LYS 447 N 0.71 0.95 -0.08 0.00 1.57 -0.92 -1.60 116.57 117.20 3mka h LYS 447 Ca 0.12 -0.40 -0.11 0.00 -1.87 0.00 0.00 60.65 58.38 3mka h LYS 447 Cb 0.62 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3mka h LYS 447 CO 0.04 1.07 -0.45 0.77 -0.57 0.00 0.00 179.45 180.31 3mka h SER 448 N 0.83 0.21 -0.21 0.86 0.02 -1.05 0.34 113.55 114.55 3mka h SER 448 Ca 0.11 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 3mka h SER 448 Cb 0.78 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.26 3mka h SER 448 CO 0.06 0.64 -0.31 -1.28 -1.14 0.00 0.00 176.83 174.80 3mka h SER 449 N 0.16 0.64 0.33 3.07 0.87 -1.15 -3.08 113.55 114.39 3mka h SER 449 Ca 0.01 -0.52 -0.07 0.00 -1.23 0.00 0.00 61.79 59.98 3mka h SER 449 Cb 0.86 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 3mka h SER 449 CO 0.07 1.03 -0.34 0.24 -0.53 0.00 0.00 176.83 177.30 3mka h MET 450 N 0.26 0.02 -0.64 2.24 2.07 -0.93 -1.59 114.93 116.36 3mka h MET 450 Ca 0.02 -0.01 0.09 0.00 -2.07 0.00 0.00 59.70 57.73 3mka h MET 450 Cb 0.89 -0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.58 3mka h MET 450 CO 0.07 0.37 0.43 -0.22 1.07 0.00 0.00 176.91 178.63 3mka h LYS 451 N 0.02 0.49 0.17 1.72 3.64 -0.84 0.99 116.57 122.76 3mka h LYS 451 Ca -0.00 -0.03 -0.34 0.00 -1.27 0.00 0.00 60.65 59.01 3mka h LYS 451 Cb 0.62 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3mka h LYS 451 CO 0.05 0.32 -1.73 0.87 -2.27 0.00 0.00 179.45 176.69 3mka h LYS 452 N 0.50 0.36 0.00 1.90 1.79 -1.40 -3.37 116.57 116.35 3mka h LYS 452 Ca 0.29 -0.61 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 3mka h LYS 452 Cb 0.49 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 3mka h LYS 452 CO -0.09 1.29 -0.10 1.28 -1.08 0.00 0.00 179.45 180.75 3mka n LEU 453 N -3.64 0.58 -0.36 2.94 4.77 -0.66 -4.41 117.00 116.23 3mka n LEU 453 Ca -0.26 0.49 0.06 0.00 -0.03 0.00 0.00 56.01 56.27 3mka n LEU 453 Cb 1.04 -0.35 0.22 0.00 -2.33 0.00 0.00 43.42 42.00 3mka n LEU 453 CO 0.49 -0.10 1.23 0.22 -1.33 0.00 0.00 177.39 177.89 3mka h TYR 454 N 0.00 1.12 -0.09 -1.77 3.20 -0.98 -1.36 116.97 117.09 3mka h TYR 454 Ca 0.00 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.93 3mka h TYR 454 Cb 0.67 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 3mka h TYR 454 CO 0.00 0.47 0.24 0.66 -1.64 0.00 0.00 178.16 177.90 3mka h SER 455 N 1.01 0.00 0.70 -2.11 4.64 -1.86 0.54 113.55 116.47 3mka h SER 455 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3mka h SER 455 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3mka h SER 455 CO -0.24 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 175.63 3mka n GLN 456 N -3.25 0.25 -2.70 4.77 6.02 -0.51 -4.77 117.38 117.18 3mka n GLN 456 Ca -0.00 -0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.52 3mka n GLN 456 Cb 0.33 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.05 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 -2.79 4.07 -0.22 5.09 1.01 0.18 -4.82 120.40 122.93 3mka s VAL 457 Ca 0.20 0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.52 3mka s VAL 457 Cb 0.19 -4.74 -0.09 0.00 0.00 0.00 0.00 36.38 31.74 3mka s VAL 457 CO 0.52 -1.50 0.25 0.35 0.00 0.00 0.00 175.10 174.72 3mka n THR 458 N 6.27 0.00 -3.80 3.92 -2.24 -1.26 -4.83 114.28 112.34 3mka n THR 458 Ca 0.02 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.43 3mka n THR 458 Cb 0.48 0.78 0.02 0.00 -2.10 0.00 0.00 70.33 69.51 3mka n THR 458 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3mka n ASP 459 N -1.36 -2.17 0.19 3.42 5.68 -1.26 -4.58 116.55 116.46 3mka n ASP 459 Ca 0.00 -2.59 0.06 0.00 -0.50 0.00 0.00 54.79 51.76 3mka n ASP 459 Cb 0.14 3.64 0.53 0.00 -1.14 0.00 0.00 41.12 44.29 3mka n ASP 459 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3mka h GLY 460 N 1.94 0.14 1.10 6.12 0.00 -1.94 0.34 103.07 110.76 3mka h GLY 460 Ca -0.32 -0.06 -0.24 0.00 0.00 0.00 0.00 47.33 46.70 3mka h GLY 460 CO 0.41 0.06 -0.94 -0.55 0.00 0.00 0.00 176.54 175.52 3mka h ASP 461 N 0.13 0.82 0.27 0.19 3.32 -1.98 -1.91 116.42 117.25 3mka h ASP 461 Ca 0.03 -0.75 -0.19 0.00 0.02 0.00 0.00 57.03 56.14 3mka h ASP 461 Cb 0.12 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3mka h ASP 461 CO 0.00 1.46 -0.77 0.77 -1.72 0.00 0.00 179.24 178.99 3mka h SER 462 N 0.26 0.49 -0.33 6.45 4.64 -1.88 -1.68 113.55 121.49 3mka h SER 462 Ca -0.12 -0.34 -0.03 0.00 -0.47 0.00 0.00 61.79 60.84 3mka h SER 462 Cb 1.61 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.54 3mka h SER 462 CO 0.19 1.09 0.13 1.23 -0.87 0.00 0.00 176.83 178.60 3mka h GLY 463 N 1.28 0.61 1.85 -0.77 0.00 -0.94 0.97 103.07 106.06 3mka h GLY 463 Ca -0.04 -0.30 -0.18 0.00 0.00 0.00 0.00 47.33 46.82 3mka h GLY 463 CO 0.13 0.28 -0.80 -2.00 0.00 0.00 0.00 176.54 174.16 3mka h LEU 464 N 0.56 0.18 0.07 3.11 5.85 -1.16 -1.80 115.31 122.12 3mka h LEU 464 Ca 0.14 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3mka h LEU 464 Cb 0.16 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3mka h LEU 464 CO -0.01 0.90 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.87 3mka h ARG 465 N 0.08 -0.09 -0.56 1.25 2.43 -0.29 -1.68 114.38 115.53 3mka h ARG 465 Ca -0.03 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3mka h ARG 465 Cb 1.39 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.92 3mka h ARG 465 CO 0.12 0.33 0.31 0.28 -1.51 0.00 0.00 179.97 179.50 3mka h VAL 466 N -0.53 1.01 -0.49 0.20 2.07 -0.87 -0.84 116.25 116.80 3mka h VAL 466 Ca -0.01 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.35 3mka h VAL 466 Cb 0.46 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 3mka h VAL 466 CO 0.02 0.11 0.21 0.00 0.02 0.00 0.00 177.57 177.93 3mka h ALA 467 N 1.27 0.61 0.00 1.67 0.00 -1.31 0.21 119.26 121.70 3mka h ALA 467 Ca 0.24 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3mka h ALA 467 Cb 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3mka h ALA 467 CO -0.13 -0.16 -0.23 0.28 0.00 0.00 0.00 179.25 179.01 3mka h VAL 468 N 0.42 0.74 0.10 0.00 2.07 -0.81 -2.46 116.25 116.31 3mka h VAL 468 Ca 0.22 -0.98 -0.28 0.00 0.82 0.00 0.00 66.70 66.48 3mka h VAL 468 Cb 0.18 1.61 0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3mka h VAL 468 CO -0.19 0.23 -1.19 -0.08 0.02 0.00 0.00 177.57 176.36 3mka h GLU 469 N 0.00 0.52 -0.60 1.57 4.81 0.39 -2.51 114.58 118.76 3mka h GLU 469 Ca -0.00 -0.70 -0.03 0.00 -0.13 0.00 0.00 59.36 58.50 3mka h GLU 469 Cb 0.59 0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 3mka h GLU 469 CO 0.03 1.30 0.23 0.00 -0.73 0.00 0.00 179.01 179.84 3mka h ALA 470 N 0.43 1.28 0.00 2.92 0.00 -0.51 -0.04 119.26 123.35 3mka h ALA 470 Ca -0.16 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 3mka h ALA 470 Cb 1.86 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 3mka h ALA 470 CO 0.22 0.53 -0.51 1.25 0.00 0.00 0.00 179.25 180.74 3mka h LEU 471 N 0.86 0.00 -0.20 0.00 5.85 -1.47 -1.09 115.31 119.26 3mka h LEU 471 Ca 0.20 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.74 3mka h LEU 471 Cb 0.18 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.21 3mka h LEU 471 CO -0.02 0.51 -0.59 0.22 -0.34 0.00 0.00 178.44 178.22 3mka h TYR 472 N 0.00 0.97 -0.57 1.25 3.20 -0.59 -1.98 116.97 119.25 3mka h TYR 472 Ca -0.01 -0.39 -0.07 0.00 3.14 0.00 0.00 58.73 61.41 3mka h TYR 472 Cb 1.00 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 3mka h TYR 472 CO 0.00 1.20 0.08 -0.44 -1.64 0.00 0.00 178.16 177.36 3mka h ASP 473 N 0.47 0.87 -0.55 -2.11 3.32 -0.97 -2.15 116.42 115.30 3mka h ASP 473 Ca -0.02 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 56.77 3mka h ASP 473 Cb 1.21 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 3mka h ASP 473 CO 0.13 0.89 0.09 0.00 -1.72 0.00 0.00 179.24 178.62 3mka h ALA 474 N 1.22 0.74 0.00 3.45 0.00 -1.10 -2.42 119.26 121.14 3mka h ALA 474 Ca 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3mka h ALA 474 Cb 0.40 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3mka h ALA 474 CO 0.01 0.48 -0.11 0.00 0.00 0.00 0.00 179.25 179.64 3mka h ALA 475 N 0.99 1.10 -0.07 0.00 0.00 -1.09 -1.60 119.26 118.59 3mka h ALA 475 Ca 0.17 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3mka h ALA 475 Cb 0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3mka h ALA 475 CO 0.01 0.13 -0.61 0.22 0.00 0.00 0.00 179.25 179.00 3mka h ASP 476 N 0.00 0.29 -0.01 0.00 3.58 -0.89 -3.32 116.42 116.07 3mka h ASP 476 Ca -0.00 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.28 3mka h ASP 476 Cb 0.47 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.44 3mka h ASP 476 CO 0.01 0.83 -0.21 0.47 -2.88 0.00 0.00 179.24 177.46 3mka n ASP 477 N -3.87 1.21 -3.94 2.28 8.00 -0.95 -4.93 116.55 114.34 3mka n ASP 477 Ca -0.02 -1.10 -0.27 0.00 0.71 0.00 0.00 54.79 54.11 3mka n ASP 477 Cb 0.63 0.47 -0.17 0.00 -0.02 0.00 0.00 41.12 42.03 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 -1.36 2.12 0.33 -2.24 2.15 -0.65 -5.00 116.67 112.03 3mka s ASP 478 Ca 0.08 -0.32 0.26 0.00 0.43 0.00 0.00 52.55 53.01 3mka s ASP 478 Cb 0.08 -0.86 0.94 0.00 -0.30 0.00 0.00 42.92 42.78 3mka s ASP 478 CO 0.25 -0.08 1.78 0.77 -0.17 0.00 0.00 175.17 177.72 3mka h SER 479 N 7.87 0.00 1.36 -0.34 4.64 -1.88 -2.79 113.55 122.41 3mka h SER 479 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3mka h SER 479 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3mka h SER 479 CO 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.39 3mka n ALA 480 N -1.89 2.24 -2.75 5.18 0.00 -1.26 -4.70 120.51 117.34 3mka n ALA 480 Ca 0.03 -0.03 -0.36 0.00 0.00 0.00 0.00 53.44 53.09 3mka n ALA 480 Cb 0.34 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.23 3mka n ALA 480 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mka s THR 481 N -3.10 5.16 -0.09 0.00 2.01 -1.05 -4.33 115.64 114.24 3mka s THR 481 Ca 0.11 0.11 -0.12 0.00 0.31 0.00 0.00 61.69 62.10 3mka s THR 481 Cb 0.13 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.22 3mka s THR 481 CO 0.57 0.40 0.27 -0.83 -0.69 0.00 0.00 174.62 174.35 3mka s GLY 482 N 0.70 2.28 0.20 4.40 0.00 -1.26 -4.55 107.32 109.09 3mka s GLY 482 Ca 0.06 -0.44 0.01 0.00 0.00 0.00 0.00 44.72 44.35 3mka s GLY 482 CO 0.01 0.04 0.27 0.61 0.00 0.00 0.00 173.10 174.04 3mka n GLY 483 N 2.35 1.15 3.67 0.20 0.00 -1.26 -4.38 105.19 106.93 3mka n GLY 483 Ca -0.16 -2.04 -0.45 0.00 0.00 0.00 0.00 46.02 43.37 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 -1.48 2.49 -3.00 1.61 -0.04 -1.26 -4.93 135.00 128.38 3mka n PRO 484 Ca 0.05 0.91 -0.44 0.00 -0.04 0.00 0.00 63.50 63.98 3mka n PRO 484 Cb 0.17 -2.79 -0.03 0.00 -0.04 0.00 0.00 33.50 30.80 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 3.84 6.39 0.50 3.54 -1.08 -0.14 -4.91 116.67 124.82 3mka s ASP 485 Ca 0.89 -1.65 0.31 0.00 -0.52 0.00 0.00 52.55 51.58 3mka s ASP 485 Cb -0.58 -2.36 1.12 0.00 -1.46 0.00 0.00 42.92 39.64 3mka s ASP 485 CO 0.46 -1.13 1.89 -0.07 0.52 0.00 0.00 175.17 176.83 3mka h LEU 486 N 10.28 0.00 0.06 -1.34 4.07 -1.92 0.36 115.31 126.82 3mka h LEU 486 Ca -0.10 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.58 3mka h LEU 486 Cb 1.06 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.82 3mka h LEU 486 CO 1.09 0.00 -1.13 0.58 -1.08 0.00 0.00 178.44 177.90 3mka h VAL 487 N 0.00 1.28 0.00 1.22 2.07 -1.96 -3.28 116.25 115.58 3mka h VAL 487 Ca 0.00 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.17 3mka h VAL 487 Cb 0.61 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 3mka h VAL 487 CO 0.00 0.72 -1.01 0.54 0.02 0.00 0.00 177.57 177.83 3mka n ARG 488 N -3.84 0.12 -2.69 1.57 1.74 -1.22 -5.00 116.66 107.35 3mka n ARG 488 Ca -0.12 -0.02 -0.08 0.00 -0.77 0.00 0.00 57.85 56.86 3mka n ARG 488 Cb 0.93 -1.52 0.04 0.00 -1.02 0.00 0.00 32.46 30.89 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 0.10 3.37 -0.13 0.00 0.12 -5.04 105.19 105.06 3mka n GLY 489 Ca 0.03 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.16 3.02 0.28 -0.61 1.01 -0.54 -4.99 121.20 116.20 3mka s ILE 490 Ca 0.03 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.03 3mka s ILE 490 Cb -0.01 -2.26 -0.06 0.00 0.01 0.00 0.00 42.46 40.14 3mka s ILE 490 CO 0.33 0.53 0.07 -0.36 0.00 0.00 0.00 174.94 175.51 3mka s PHE 491 N 0.26 1.69 0.90 3.97 0.08 -1.26 -0.97 117.98 122.65 3mka s PHE 491 Ca -0.09 -1.07 -0.11 0.00 0.12 0.00 0.00 56.93 55.78 3mka s PHE 491 Cb -0.16 -1.04 0.12 0.00 -0.57 0.00 0.00 43.02 41.38 3mka s PHE 491 CO 0.05 -0.17 1.08 -2.30 -0.10 0.00 0.00 175.22 173.78 3mka n PRO 492 N -0.53 -0.33 -4.14 0.24 -0.02 -1.26 -4.79 135.00 124.17 3mka n PRO 492 Ca -0.02 -0.03 -0.31 0.00 -2.02 0.00 0.00 63.50 61.13 3mka n PRO 492 Cb 0.66 -2.33 -0.08 0.00 -0.02 0.00 0.00 33.50 31.73 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 -2.51 4.21 0.05 3.45 -4.23 -0.95 -4.94 115.64 110.71 3mka s THR 493 Ca 0.67 -0.83 -0.01 0.00 -1.18 0.00 0.00 61.69 60.34 3mka s THR 493 Cb -0.24 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.58 3mka s THR 493 CO 0.58 0.18 -0.03 0.00 -0.54 0.00 0.00 174.62 174.80 3mka s ALA 494 N -1.28 0.49 -0.01 3.99 0.00 -1.26 -1.70 121.76 121.98 3mka s ALA 494 Ca 0.25 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 51.08 3mka s ALA 494 Cb -0.12 0.25 -0.00 0.00 0.00 0.00 0.00 23.12 23.25 3mka s ALA 494 CO 0.18 -0.34 -0.04 0.08 0.00 0.00 0.00 175.76 175.63 3mka s VAL 495 N -3.65 0.35 -0.08 0.00 1.01 0.32 -1.42 120.40 116.94 3mka s VAL 495 Ca 0.05 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.88 3mka s VAL 495 Cb 0.06 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 36.14 3mka s VAL 495 CO -0.09 0.10 -0.18 -0.51 0.00 0.00 0.00 175.10 174.43 3mka s ILE 496 N -0.05 1.57 -0.11 2.22 2.07 -0.39 -1.02 121.20 125.50 3mka s ILE 496 Ca 0.01 -0.75 0.03 0.00 -1.41 0.00 0.00 60.65 58.54 3mka s ILE 496 Cb -0.02 -1.38 0.00 0.00 0.13 0.00 0.00 42.46 41.19 3mka s ILE 496 CO -0.00 0.45 -0.23 -0.63 -1.91 0.00 0.00 174.94 172.62 3mka s ILE 497 N 0.43 2.07 0.30 2.00 1.01 -0.13 -1.14 121.20 125.73 3mka s ILE 497 Ca -0.15 -1.00 0.05 0.00 0.00 0.00 0.00 60.65 59.55 3mka s ILE 497 Cb -0.16 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 3mka s ILE 497 CO 0.06 0.56 0.17 -0.90 0.00 0.00 0.00 174.94 174.83 3mka n ASP 498 N 3.70 0.27 -0.30 3.58 5.68 -0.36 -1.68 116.55 127.44 3mka n ASP 498 Ca -0.19 -2.75 0.01 0.00 -0.50 0.00 0.00 54.79 51.35 3mka n ASP 498 Cb 0.53 1.09 0.19 0.00 -1.14 0.00 0.00 41.12 41.79 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 1.71 1.40 -0.77 2.12 0.00 -1.96 -2.26 119.26 119.50 3mka h ALA 499 Ca -0.22 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3mka h ALA 499 Cb 0.97 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3mka h ALA 499 CO 0.34 0.52 0.32 -0.44 0.00 0.00 0.00 179.25 179.99 3mka h ASP 500 N 1.16 1.05 0.00 0.00 3.32 -1.96 -3.49 116.42 116.50 3mka h ASP 500 Ca 0.34 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3mka h ASP 500 Cb -0.05 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.23 3mka h ASP 500 CO -0.09 0.93 0.00 0.61 -1.72 0.00 0.00 179.24 178.96 3mka n GLY 501 N -0.90 -1.54 3.46 2.75 0.00 -0.85 -5.09 105.19 103.02 3mka n GLY 501 Ca 0.07 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.15 2.90 0.05 4.61 0.00 -0.88 -1.22 121.76 126.06 3mka s ALA 502 Ca 0.00 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.13 3mka s ALA 502 Cb 0.00 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 3mka s ALA 502 CO 0.00 0.20 -0.06 0.14 0.00 0.00 0.00 175.76 176.03 3mka s VAL 503 N 0.40 0.48 0.11 0.00 -7.23 -0.30 -4.97 120.40 108.90 3mka s VAL 503 Ca -0.05 -1.29 -0.30 0.00 -1.81 0.00 0.00 61.98 58.53 3mka s VAL 503 Cb -0.15 -0.85 -0.06 0.00 0.56 0.00 0.00 36.38 35.89 3mka s VAL 503 CO 0.03 -0.55 1.02 -1.81 -0.31 0.00 0.00 175.10 173.48 3mka s ASP 504 N -1.97 7.39 0.17 4.85 1.01 -1.26 -1.26 116.67 125.60 3mka s ASP 504 Ca -0.05 1.88 -0.30 0.00 0.71 0.00 0.00 52.55 54.79 3mka s ASP 504 Cb -0.05 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.21 3mka s ASP 504 CO -0.02 -0.16 0.98 -0.69 0.21 0.00 0.00 175.17 175.49 3mka s VAL 505 N 0.12 4.23 0.42 -1.27 1.01 -0.51 -4.93 120.40 119.48 3mka s VAL 505 Ca 0.49 2.00 -0.25 0.00 0.00 0.00 0.00 61.98 64.23 3mka s VAL 505 Cb -0.25 -4.28 -0.08 0.00 0.00 0.00 0.00 36.38 31.77 3mka s VAL 505 CO 0.31 0.38 1.20 -2.16 0.00 0.00 0.00 175.10 174.83 3mka s PRO 506 N -0.53 3.93 0.22 2.72 0.04 -1.26 -4.69 135.00 135.43 3mka s PRO 506 Ca 0.45 1.91 -0.09 0.00 0.04 0.00 0.00 61.00 63.30 3mka s PRO 506 Cb -0.25 -2.62 0.32 0.00 0.04 0.00 0.00 34.50 31.99 3mka s PRO 506 CO 0.32 -0.44 1.69 1.49 0.04 0.00 0.00 177.00 180.10 3mka h GLU 507 N 2.46 0.23 -0.20 4.56 4.81 -1.95 -0.08 114.58 124.42 3mka h GLU 507 Ca -0.49 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.78 3mka h GLU 507 Cb 1.24 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 3mka h GLU 507 CO 0.62 0.15 0.17 0.66 -0.73 0.00 0.00 179.01 179.88 3mka h SER 508 N 0.24 0.00 -0.05 1.04 4.64 -1.99 -0.23 113.55 117.20 3mka h SER 508 Ca 0.33 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.42 3mka h SER 508 Cb 0.51 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.62 3mka h SER 508 CO -0.44 0.00 -0.86 -0.09 -0.87 0.00 0.00 176.83 174.58 3mka h ARG 509 N 0.00 0.66 -0.14 4.77 9.65 -1.38 -2.54 114.38 125.41 3mka h ARG 509 Ca 0.09 -0.65 -0.21 0.00 -1.10 0.00 0.00 59.98 58.12 3mka h ARG 509 Cb 0.43 0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 3mka h ARG 509 CO -0.00 1.25 -0.74 0.82 2.80 0.00 0.00 179.97 184.10 3mka h ILE 510 N 0.32 1.31 -0.87 1.20 2.04 -1.19 -2.04 117.51 118.28 3mka h ILE 510 Ca -0.09 -2.00 0.06 0.00 1.00 0.00 0.00 64.86 63.83 3mka h ILE 510 Cb 1.51 1.99 -0.06 0.00 -0.74 0.00 0.00 36.82 39.52 3mka h ILE 510 CO 0.17 0.62 0.57 0.00 0.00 0.00 0.00 178.15 179.52 3mka h ALA 511 N 0.71 1.54 0.87 1.87 0.00 -1.09 0.81 119.26 123.98 3mka h ALA 511 Ca -0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3mka h ALA 511 Cb 1.34 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.88 3mka h ALA 511 CO 0.14 0.33 -0.42 1.49 0.00 0.00 0.00 179.25 180.79 3mka h GLU 512 N 0.99 -1.13 -0.54 0.00 4.81 -1.27 0.11 114.58 117.54 3mka h GLU 512 Ca 0.38 0.08 0.10 0.00 -0.13 0.00 0.00 59.36 59.78 3mka h GLU 512 Cb 0.20 0.26 -0.11 0.00 0.63 0.00 0.00 28.75 29.73 3mka h GLU 512 CO -0.14 -0.75 -0.35 -0.07 -0.73 0.00 0.00 179.01 176.97 3mka h LEU 513 N -1.25 -1.21 -0.44 1.64 4.07 -1.11 -0.78 115.31 116.24 3mka h LEU 513 Ca -0.12 0.22 0.04 0.00 0.08 0.00 0.00 57.88 58.10 3mka h LEU 513 Cb 0.90 0.58 -0.04 0.00 1.08 0.00 0.00 40.66 43.18 3mka h LEU 513 CO 0.20 -0.32 0.21 0.00 -1.08 0.00 0.00 178.44 177.46 3mka h ALA 514 N 0.86 0.55 -0.60 1.53 0.00 -0.75 -0.55 119.26 120.31 3mka h ALA 514 Ca 0.21 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3mka h ALA 514 Cb 0.55 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3mka h ALA 514 CO -0.65 -0.14 0.36 0.00 0.00 0.00 0.00 179.25 178.82 3mka h ARG 515 N 0.43 0.80 0.03 0.00 3.08 -0.56 -1.63 114.38 116.53 3mka h ARG 515 Ca 0.19 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 3mka h ARG 515 Cb 0.11 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3mka h ARG 515 CO -0.14 0.56 -0.02 0.00 -1.07 0.00 0.00 179.97 179.30 3mka h ALA 516 N 1.58 -0.04 -0.48 0.04 0.00 0.36 -1.42 119.26 119.30 3mka h ALA 516 Ca 0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3mka h ALA 516 Cb -0.04 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3mka h ALA 516 CO -0.04 -0.52 0.28 0.82 0.00 0.00 0.00 179.25 179.80 3mka h ILE 517 N -0.06 1.15 -0.73 0.00 2.04 -1.03 -0.35 117.51 118.53 3mka h ILE 517 Ca -0.00 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.52 3mka h ILE 517 Cb 0.05 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 3mka h ILE 517 CO 0.01 0.16 0.46 0.40 0.00 0.00 0.00 178.15 179.18 3mka h ILE 518 N 0.64 1.10 -0.02 -0.67 2.04 -1.21 0.34 117.51 119.73 3mka h ILE 518 Ca 0.17 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 3mka h ILE 518 Cb 0.01 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3mka h ILE 518 CO -0.03 0.16 0.00 -0.08 0.00 0.00 0.00 178.15 178.21 3mka h GLU 519 N 0.90 0.03 -0.34 2.37 4.57 -0.99 -2.91 114.58 118.21 3mka h GLU 519 Ca 0.29 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.46 3mka h GLU 519 Cb 0.02 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 3mka h GLU 519 CO -0.11 0.30 0.20 1.03 -1.18 0.00 0.00 179.01 179.25 3mka h SER 520 N -0.24 0.39 -0.05 1.04 0.87 -0.76 -1.66 113.55 113.15 3mka h SER 520 Ca 0.01 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3mka h SER 520 Cb 0.28 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 3mka h SER 520 CO 0.00 0.30 0.00 0.54 -0.53 0.00 0.00 176.83 177.14 3mka n ARG 521 N -4.47 1.11 0.00 2.24 1.74 0.08 -5.09 116.66 112.28 3mka n ARG 521 Ca 0.02 -0.18 0.02 0.00 -0.77 0.00 0.00 57.85 56.94 3mka n ARG 521 Cb 0.08 -1.06 0.01 0.00 -1.02 0.00 0.00 32.46 30.47 3mka n ARG 521 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54