#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwm h GLN 303 N 0.00 0.80 -0.26 1.97 7.50 -1.99 -1.44 115.11 121.69 1fwm h GLN 303 Ca 0.00 -0.24 -0.03 0.00 0.50 0.00 0.00 58.65 58.88 1fwm h GLN 303 Cb 0.00 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.44 1fwm h GLN 303 CO 0.00 0.84 0.04 -0.92 -1.50 0.00 0.00 178.83 177.29 1fwm h TYR 304 N 0.65 0.47 -0.58 2.96 3.20 -2.01 -2.01 116.97 119.65 1fwm h TYR 304 Ca 0.13 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 1fwm h TYR 304 Cb 0.47 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 1fwm h TYR 304 CO 0.04 0.55 0.17 -0.07 -1.64 0.00 0.00 178.16 177.20 1fwm h LEU 305 N 0.25 0.81 -0.99 2.82 4.07 -1.99 -2.16 115.31 118.12 1fwm h LEU 305 Ca 0.08 -0.13 -0.06 0.00 0.08 0.00 0.00 57.88 57.85 1fwm h LEU 305 Cb 0.33 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 1fwm h LEU 305 CO 0.01 0.77 0.10 -0.33 -1.08 0.00 0.00 178.44 177.91 1fwm h GLU 306 N 0.85 0.83 -0.49 1.13 5.08 -1.06 -2.37 114.58 118.55 1fwm h GLU 306 Ca 0.19 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1fwm h GLU 306 Cb 0.26 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1fwm h GLU 306 CO -0.01 0.77 -0.16 1.25 -1.00 0.00 0.00 179.01 179.86 1fwm h LEU 307 N 0.80 0.99 -0.44 1.33 5.85 -0.90 -2.52 115.31 120.42 1fwm h LEU 307 Ca 0.17 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.54 1fwm h LEU 307 Cb 0.33 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1fwm h LEU 307 CO 0.00 1.14 0.24 0.24 -0.34 0.00 0.00 178.44 179.73 1fwm h MET 308 N 0.83 0.46 -0.23 1.25 2.86 -1.10 -1.85 114.93 117.17 1fwm h MET 308 Ca 0.12 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1fwm h MET 308 Cb 0.73 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1fwm h MET 308 CO 0.06 0.31 -0.08 0.37 1.06 0.00 0.00 176.91 178.63 1fwm h GLN 309 N 0.48 0.36 -0.45 1.72 5.75 -1.38 -2.46 115.11 119.13 1fwm h GLN 309 Ca 0.18 -0.08 -0.14 0.00 -0.15 0.00 0.00 58.65 58.46 1fwm h GLN 309 Cb 0.06 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1fwm h GLN 309 CO -0.11 0.45 -0.27 -0.22 -2.65 0.00 0.00 178.83 176.03 1fwm h LYS 310 N 0.34 0.97 -0.46 1.69 3.64 -0.93 -1.31 116.57 120.51 1fwm h LYS 310 Ca 0.07 -0.44 -0.03 0.00 -1.27 0.00 0.00 60.65 58.98 1fwm h LYS 310 Cb 0.36 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1fwm h LYS 310 CO 0.02 1.11 0.18 0.28 -2.27 0.00 0.00 179.45 178.77 1fwm h VAL 311 N 0.82 1.21 -0.42 2.00 2.07 -1.01 0.16 116.25 121.08 1fwm h VAL 311 Ca 0.09 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1fwm h VAL 311 Cb 0.86 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1fwm h VAL 311 CO 0.08 0.24 0.08 -0.07 0.02 0.00 0.00 177.57 177.92 1fwm h LEU 312 N 0.61 0.59 0.13 2.57 3.38 -1.32 0.44 115.31 121.70 1fwm h LEU 312 Ca 0.15 -0.10 -0.32 0.00 0.09 0.00 0.00 57.88 57.71 1fwm h LEU 312 Cb 0.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1fwm h LEU 312 CO -0.01 0.60 -1.60 0.44 0.09 0.00 0.00 178.44 177.96 1fwm h ASP 313 N 0.62 0.41 0.00 -0.43 3.32 -0.90 -3.40 116.42 116.04 1fwm h ASP 313 Ca 0.14 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1fwm h ASP 313 Cb 0.26 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1fwm h ASP 313 CO 0.00 1.51 -0.28 -0.62 -1.72 0.00 0.00 179.24 178.12 1fwm n GLU 314 N -3.46 5.09 -1.54 3.56 1.02 0.55 -5.06 120.64 120.80 1fwm n GLU 314 Ca -0.18 -0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.56 1fwm n GLU 314 Cb 1.05 -0.76 0.03 0.00 -0.02 0.00 0.00 31.44 31.74 1fwm n GLU 314 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fwm n GLY 315 N 1.17 -0.83 3.71 0.62 0.00 0.15 -4.87 105.19 105.14 1fwm n GLY 315 Ca 0.01 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1fwm n GLY 315 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fwm s THR 316 N -1.50 4.40 -0.14 2.61 2.01 0.16 -4.65 115.64 118.53 1fwm s THR 316 Ca 0.68 -0.41 -0.29 0.00 0.31 0.00 0.00 61.69 61.98 1fwm s THR 316 Cb -0.49 -2.93 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 1fwm s THR 316 CO 0.54 0.45 1.23 -1.58 -0.69 0.00 0.00 174.62 174.57 1fwm s GLN 317 N -1.36 4.27 0.04 4.92 2.00 -1.26 -0.30 119.66 127.98 1fwm s GLN 317 Ca 0.18 1.64 0.04 0.00 -2.00 0.00 0.00 55.36 55.23 1fwm s GLN 317 Cb -0.12 -3.70 -0.02 0.00 0.80 0.00 0.00 33.01 29.98 1fwm s GLN 317 CO 0.08 -0.63 -0.13 0.15 -0.50 0.00 0.00 175.29 174.27 1fwm s LYS 318 N 3.11 0.86 -0.20 1.67 1.02 0.15 -4.98 119.74 121.37 1fwm s LYS 318 Ca 0.54 -0.75 -0.14 0.00 0.02 0.00 0.00 55.97 55.64 1fwm s LYS 318 Cb -0.22 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.20 1fwm s LYS 318 CO 0.16 0.20 0.32 1.21 -0.92 0.00 0.00 175.35 176.32 1fwm s ASN 319 N -1.20 6.36 0.44 2.83 3.84 -1.26 -0.34 114.94 125.61 1fwm s ASN 319 Ca 0.00 0.42 0.07 0.00 0.21 0.00 0.00 52.86 53.56 1fwm s ASN 319 Cb -0.08 -2.19 -0.02 0.00 -0.55 0.00 0.00 41.25 38.41 1fwm s ASN 319 CO 0.01 -0.00 0.35 1.51 -2.79 0.00 0.00 177.10 176.18 1fwm s ASP 320 N 0.91 4.87 0.63 -4.21 -4.77 -1.26 -4.97 116.67 107.87 1fwm s ASP 320 Ca 0.16 -0.88 0.30 0.00 -3.30 0.00 0.00 52.55 48.83 1fwm s ASP 320 Cb -0.14 -0.39 1.66 0.00 -1.09 0.00 0.00 42.92 42.95 1fwm s ASP 320 CO 0.06 -0.71 1.98 0.08 0.70 0.00 0.00 175.17 177.28 1fwm h ARG 321 N 1.05 0.00 0.00 2.11 0.11 -1.99 0.10 114.38 115.76 1fwm h ARG 321 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 1fwm h ARG 321 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1fwm h ARG 321 CO 0.59 0.00 -0.61 0.00 0.10 0.00 0.00 179.97 180.05 1fwm h THR 322 N 0.00 0.00 0.00 0.08 1.03 -1.95 -3.48 112.91 108.60 1fwm h THR 322 Ca 0.07 -0.79 0.00 0.00 -0.01 0.00 0.00 66.41 65.67 1fwm h THR 322 Cb 0.71 1.45 0.00 0.00 -1.07 0.00 0.00 68.15 69.25 1fwm h THR 322 CO -0.00 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.12 1fwm n GLY 323 N 1.23 0.81 0.18 2.99 0.00 0.36 -4.94 105.19 105.81 1fwm n GLY 323 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 1fwm n GLY 323 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1fwm h THR 324 N 0.00 1.30 0.00 2.61 2.02 -1.93 -3.47 112.91 113.45 1fwm h THR 324 Ca 0.00 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1fwm h THR 324 Cb 0.00 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1fwm h THR 324 CO 0.00 0.71 0.00 0.61 0.37 0.00 0.00 175.52 177.21 1fwm n GLY 325 N 1.24 2.42 3.20 2.16 0.00 -1.26 -4.57 105.19 108.38 1fwm n GLY 325 Ca -0.12 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 1fwm n GLY 325 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fwm s THR 326 N -1.87 0.10 -0.21 2.61 -1.32 0.54 -1.61 115.64 113.88 1fwm s THR 326 Ca 0.00 -0.82 -0.08 0.00 -1.21 0.00 0.00 61.69 59.58 1fwm s THR 326 Cb 0.00 -0.91 -0.04 0.00 -1.51 0.00 0.00 72.50 70.04 1fwm s THR 326 CO 0.00 -0.45 0.08 -0.76 -2.21 0.00 0.00 174.62 171.28 1fwm s LEU 327 N -2.07 3.74 0.03 9.08 1.43 -0.14 -0.68 118.68 130.08 1fwm s LEU 327 Ca -0.05 -0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 1fwm s LEU 327 Cb -0.01 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 1fwm s LEU 327 CO -0.04 0.10 -0.05 -0.55 0.23 0.00 0.00 176.35 176.04 1fwm s SER 328 N 0.85 0.50 0.16 2.29 0.15 0.59 -1.29 113.70 116.95 1fwm s SER 328 Ca 0.04 -0.48 0.04 0.00 0.70 0.00 0.00 55.95 56.26 1fwm s SER 328 Cb -0.13 0.06 -0.05 0.00 -1.71 0.00 0.00 66.02 64.19 1fwm s SER 328 CO 0.02 -0.23 -0.08 0.27 1.20 0.00 0.00 173.24 174.42 1fwm s ILE 329 N -1.29 1.13 -0.14 6.45 -4.36 -0.85 0.40 121.20 122.55 1fwm s ILE 329 Ca -0.12 -2.05 0.01 0.00 -0.26 0.00 0.00 60.65 58.23 1fwm s ILE 329 Cb -0.09 -1.93 0.02 0.00 1.25 0.00 0.00 42.46 41.71 1fwm s ILE 329 CO -0.00 -0.68 -0.17 0.12 0.24 0.00 0.00 174.94 174.45 1fwm s PHE 330 N -3.35 2.29 0.00 1.37 5.36 -1.26 -1.55 117.98 120.84 1fwm s PHE 330 Ca 0.19 -1.23 0.00 0.00 -0.96 0.00 0.00 56.93 54.93 1fwm s PHE 330 Cb 0.03 -1.63 0.00 0.00 -0.34 0.00 0.00 43.02 41.08 1fwm s PHE 330 CO 0.02 -0.63 0.00 0.41 -1.46 0.00 0.00 175.22 173.56 1fwm n GLY 331 N 4.49 -1.96 3.35 13.12 0.00 -0.41 -4.99 105.19 118.78 1fwm n GLY 331 Ca -0.19 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 1fwm n GLY 331 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fwm s HIS 332 N 0.00 -0.32 -0.08 1.61 2.46 -0.84 -4.95 115.29 113.18 1fwm s HIS 332 Ca 0.00 0.24 -0.05 0.00 0.47 0.00 0.00 55.06 55.73 1fwm s HIS 332 Cb 0.00 0.29 0.03 0.00 -0.13 0.00 0.00 32.58 32.77 1fwm s HIS 332 CO 0.00 -0.64 0.18 -1.14 -2.47 0.00 0.00 174.74 170.67 1fwm s GLN 333 N -2.83 0.16 0.07 2.88 0.74 -1.26 0.49 119.66 119.91 1fwm s GLN 333 Ca -0.03 0.37 0.06 0.00 0.05 0.00 0.00 55.36 55.80 1fwm s GLN 333 Cb -0.00 -0.07 -0.03 0.00 1.10 0.00 0.00 33.01 34.01 1fwm s GLN 333 CO -0.05 -0.11 -0.15 -1.64 -0.55 0.00 0.00 175.29 172.78 1fwm s MET 334 N 0.81 0.90 -0.07 1.67 -1.94 0.32 -4.98 119.30 116.01 1fwm s MET 334 Ca -0.06 -0.94 0.03 0.00 -1.71 0.00 0.00 55.69 53.01 1fwm s MET 334 Cb -0.08 -0.95 0.01 0.00 2.01 0.00 0.00 34.83 35.82 1fwm s MET 334 CO -0.04 0.22 -0.17 0.50 -0.01 0.00 0.00 175.02 175.52 1fwm s ARG 335 N -1.61 2.17 -0.24 2.03 3.52 -1.26 0.05 118.95 123.61 1fwm s ARG 335 Ca 0.00 -0.60 0.02 0.00 -0.13 0.00 0.00 55.73 55.02 1fwm s ARG 335 Cb -0.09 -1.73 0.05 0.00 -1.56 0.00 0.00 34.95 31.61 1fwm s ARG 335 CO 0.02 0.11 -0.13 -0.06 -0.81 0.00 0.00 175.30 174.43 1fwm s PHE 336 N 0.46 3.11 -0.55 5.12 0.08 -0.09 -4.97 117.98 121.14 1fwm s PHE 336 Ca -0.14 -2.12 -0.28 0.00 0.12 0.00 0.00 56.93 54.50 1fwm s PHE 336 Cb -0.16 -1.92 0.02 0.00 -0.57 0.00 0.00 43.02 40.40 1fwm s PHE 336 CO 0.05 -0.86 1.26 1.21 -0.10 0.00 0.00 175.22 176.78 1fwm s ASN 337 N 1.16 6.39 0.31 1.36 3.84 -1.26 -0.34 114.94 126.40 1fwm s ASN 337 Ca -0.05 0.26 0.22 0.00 0.21 0.00 0.00 52.86 53.50 1fwm s ASN 337 Cb -0.18 -2.55 1.13 0.00 -0.55 0.00 0.00 41.25 39.10 1fwm s ASN 337 CO -0.07 -1.50 1.67 0.18 -2.79 0.00 0.00 177.10 174.59 1fwm n LEU 338 N 8.67 0.59 0.10 3.21 4.32 -0.52 -1.69 117.00 131.68 1fwm n LEU 338 Ca 0.11 0.74 -0.02 0.00 -0.02 0.00 0.00 56.01 56.82 1fwm n LEU 338 Cb 0.49 -0.78 0.21 0.00 -1.62 0.00 0.00 43.42 41.72 1fwm n LEU 338 CO 0.71 -0.87 0.60 1.56 -1.22 0.00 0.00 177.39 178.17 1fwm h GLN 339 N 0.00 0.20 0.00 3.23 1.08 -1.81 -2.76 115.11 115.04 1fwm h GLN 339 Ca 0.00 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1fwm h GLN 339 Cb 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1fwm h GLN 339 CO 0.00 0.63 0.00 -0.25 -0.95 0.00 0.00 178.83 178.26 1fwm n ASP 340 N -3.98 0.00 0.00 1.46 8.00 -0.68 -4.96 116.55 116.39 1fwm n ASP 340 Ca -0.02 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1fwm n ASP 340 Cb 0.52 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1fwm n ASP 340 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fwm n GLY 341 N 0.32 3.42 3.71 0.44 0.00 -1.04 -4.77 105.19 107.27 1fwm n GLY 341 Ca 0.10 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 1fwm n GLY 341 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fwm s PHE 342 N -2.62 2.96 -1.50 1.61 5.36 -1.03 -4.63 117.98 118.12 1fwm s PHE 342 Ca 0.00 0.70 -0.09 0.00 -0.96 0.00 0.00 56.93 56.57 1fwm s PHE 342 Cb 0.00 -3.81 -0.08 0.00 -0.34 0.00 0.00 43.02 38.78 1fwm s PHE 342 CO 0.00 -3.03 2.81 -0.35 -1.46 0.00 0.00 175.22 173.19 1fwm n PRO 343 N 4.51 3.41 -3.60 10.12 -0.04 -1.26 -3.94 135.00 144.20 1fwm n PRO 343 Ca 0.13 -2.08 -0.37 0.00 -0.04 0.00 0.00 63.50 61.14 1fwm n PRO 343 Cb 0.41 -2.75 -0.09 0.00 -0.04 0.00 0.00 33.50 31.02 1fwm n PRO 343 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1fwm s LEU 344 N 0.20 4.10 0.48 1.53 2.96 -1.26 -4.14 118.68 122.55 1fwm s LEU 344 Ca 0.64 0.15 -0.24 0.00 -0.22 0.00 0.00 54.13 54.47 1fwm s LEU 344 Cb 0.17 -2.18 -0.07 0.00 0.50 0.00 0.00 46.19 44.60 1fwm s LEU 344 CO -0.06 0.01 1.37 1.33 -1.32 0.00 0.00 176.35 177.69 1fwm n VAL 345 N 4.47 3.09 0.27 1.68 0.24 -1.26 -4.79 118.33 122.03 1fwm n VAL 345 Ca -0.14 -0.50 0.03 0.00 -2.04 0.00 0.00 64.34 61.70 1fwm n VAL 345 Cb 0.52 -1.73 -0.04 0.00 -1.47 0.00 0.00 33.84 31.11 1fwm n VAL 345 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1fwm n THR 346 N -0.49 0.00 1.65 3.34 -2.24 -1.26 -4.52 114.28 110.75 1fwm n THR 346 Ca 0.07 -0.29 0.07 0.00 -2.27 0.00 0.00 64.05 61.63 1fwm n THR 346 Cb 0.42 0.85 0.43 0.00 -2.10 0.00 0.00 70.33 69.94 1fwm n THR 346 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1fwm n THR 347 N -1.30 0.00 -3.63 4.28 -2.24 -1.26 -0.89 114.28 109.24 1fwm n THR 347 Ca 0.01 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.68 1fwm n THR 347 Cb 0.13 -0.36 -0.07 0.00 -2.10 0.00 0.00 70.33 67.93 1fwm n THR 347 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1fwm s LYS 348 N -2.00 0.63 0.10 -0.78 -2.85 -1.26 -4.64 119.74 108.93 1fwm s LYS 348 Ca 0.22 0.71 -0.31 0.00 -1.00 0.00 0.00 55.97 55.58 1fwm s LYS 348 Cb 0.10 0.30 -0.08 0.00 -2.06 0.00 0.00 37.83 36.10 1fwm s LYS 348 CO 0.17 -0.08 1.38 0.50 0.10 0.00 0.00 175.35 177.42 1fwm s ARG 349 N 0.20 4.32 0.05 1.78 3.52 -0.51 -4.70 118.95 123.62 1fwm s ARG 349 Ca 0.02 2.05 0.04 0.00 -0.13 0.00 0.00 55.73 57.70 1fwm s ARG 349 Cb -0.05 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 1fwm s ARG 349 CO -0.03 -0.44 -0.01 0.00 -0.81 0.00 0.00 175.30 174.01 1fwm s HIS 351 N -1.21 3.19 0.35 0.00 0.09 -1.26 -4.90 115.29 111.55 1fwm s HIS 351 Ca 0.23 -0.90 0.31 0.00 -0.00 0.00 0.00 55.06 54.70 1fwm s HIS 351 Cb -0.12 -3.38 1.54 0.00 -0.00 0.00 0.00 32.58 30.63 1fwm s HIS 351 CO 0.15 -0.90 2.08 1.25 -0.00 0.00 0.00 174.74 177.31 1fwm h LEU 352 N 9.03 0.00 0.05 0.89 5.85 -1.99 -3.22 115.31 125.92 1fwm h LEU 352 Ca -0.29 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 1fwm h LEU 352 Cb 1.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1fwm h LEU 352 CO 0.93 0.08 -0.03 -0.09 -0.34 0.00 0.00 178.44 179.00 1fwm h ARG 353 N 0.00 -0.07 -0.05 1.25 2.43 -2.00 -0.67 114.38 115.27 1fwm h ARG 353 Ca -0.00 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 1fwm h ARG 353 Cb 0.37 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1fwm h ARG 353 CO 0.01 -0.04 -0.51 0.66 -1.51 0.00 0.00 179.97 178.58 1fwm h SER 354 N -0.07 0.13 -0.40 -3.80 4.64 -1.94 -2.44 113.55 109.67 1fwm h SER 354 Ca -0.01 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.17 1fwm h SER 354 Cb 0.06 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1fwm h SER 354 CO 0.01 0.62 -0.03 0.40 -0.87 0.00 0.00 176.83 176.96 1fwm h ILE 355 N 0.10 1.27 -0.13 0.95 2.04 -1.54 -2.39 117.51 117.80 1fwm h ILE 355 Ca 0.00 -1.08 -0.15 0.00 1.00 0.00 0.00 64.86 64.64 1fwm h ILE 355 Cb 0.94 1.16 0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1fwm h ILE 355 CO 0.07 0.36 -0.49 0.40 0.00 0.00 0.00 178.15 178.50 1fwm h ILE 356 N 0.56 1.35 -0.29 -0.67 2.04 -1.06 -2.96 117.51 116.48 1fwm h ILE 356 Ca 0.11 -1.77 -0.09 0.00 1.00 0.00 0.00 64.86 64.11 1fwm h ILE 356 Cb 0.53 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 1fwm h ILE 356 CO 0.03 0.54 -0.19 0.45 0.00 0.00 0.00 178.15 178.98 1fwm h HIS 357 N 0.20 0.59 0.07 1.37 3.86 -1.49 -1.63 115.15 118.12 1fwm h HIS 357 Ca -0.02 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.07 1fwm h HIS 357 Cb 1.12 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.44 1fwm h HIS 357 CO 0.10 0.69 -0.03 1.49 0.86 0.00 0.00 177.93 181.04 1fwm h GLU 358 N 0.48 -0.09 -0.66 2.45 4.81 -1.47 0.19 114.58 120.28 1fwm h GLU 358 Ca 0.08 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1fwm h GLU 358 Cb 0.60 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.95 1fwm h GLU 358 CO 0.04 0.03 0.38 1.25 -0.73 0.00 0.00 179.01 179.99 1fwm h LEU 359 N -0.20 0.58 -1.12 1.64 5.85 -1.35 0.70 115.31 121.40 1fwm h LEU 359 Ca -0.01 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1fwm h LEU 359 Cb 0.17 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1fwm h LEU 359 CO 0.02 0.39 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.21 1fwm h LEU 360 N 0.72 0.34 -0.41 2.25 3.38 -1.08 -1.81 115.31 118.69 1fwm h LEU 360 Ca 0.29 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1fwm h LEU 360 Cb 0.14 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1fwm h LEU 360 CO -0.16 0.57 0.09 -0.25 0.09 0.00 0.00 178.44 178.79 1fwm h TRP 361 N 0.31 0.70 0.06 1.13 7.01 0.72 -2.79 115.95 123.09 1fwm h TRP 361 Ca 0.05 -0.09 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 1fwm h TRP 361 Cb 0.57 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 27.43 1fwm h TRP 361 CO 0.01 0.66 -0.05 0.74 -2.79 0.00 0.00 178.44 177.02 1fwm h PHE 362 N 0.53 -0.12 -0.13 2.65 0.04 -0.45 -2.72 116.94 116.74 1fwm h PHE 362 Ca 0.13 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.93 1fwm h PHE 362 Cb 0.32 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 1fwm h PHE 362 CO 0.02 -0.07 0.16 -0.07 -0.60 0.00 0.00 178.31 177.75 1fwm h LEU 363 N -0.11 0.00 0.00 1.54 3.38 -1.25 0.13 115.31 119.00 1fwm h LEU 363 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fwm h LEU 363 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1fwm h LEU 363 CO -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.41 1fwm n GLN 364 N -3.70 0.10 -1.61 1.13 3.00 -1.04 -4.92 117.38 110.35 1fwm n GLN 364 Ca 0.00 0.07 -0.03 0.00 -0.01 0.00 0.00 57.00 57.02 1fwm n GLN 364 Cb 0.27 -1.60 -0.01 0.00 0.00 0.00 0.00 30.24 28.90 1fwm n GLN 364 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1fwm n GLY 365 N 1.43 0.43 3.77 1.08 0.00 0.46 -5.03 105.19 107.33 1fwm n GLY 365 Ca 0.06 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 1fwm n GLY 365 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fwm s ASP 366 N -2.90 6.69 0.00 1.61 2.15 -1.17 -4.11 116.67 118.94 1fwm s ASP 366 Ca 0.00 0.82 0.01 0.00 0.43 0.00 0.00 52.55 53.81 1fwm s ASP 366 Cb 0.00 -2.25 0.03 0.00 -0.30 0.00 0.00 42.92 40.39 1fwm s ASP 366 CO 0.00 0.15 0.96 0.35 -0.17 0.00 0.00 175.17 176.46 1fwm n THR 367 N 2.89 0.87 -4.05 1.71 -2.24 -1.26 -4.45 114.28 107.76 1fwm n THR 367 Ca -0.11 -0.94 -0.35 0.00 -2.27 0.00 0.00 64.05 60.39 1fwm n THR 367 Cb 0.52 0.57 -0.12 0.00 -2.10 0.00 0.00 70.33 69.20 1fwm n THR 367 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1fwm s ASN 368 N -0.88 5.13 0.00 3.42 3.84 -1.26 -2.42 114.94 122.77 1fwm s ASN 368 Ca 0.02 -0.11 0.06 0.00 0.21 0.00 0.00 52.86 53.04 1fwm s ASN 368 Cb 0.01 -1.88 0.35 0.00 -0.55 0.00 0.00 41.25 39.18 1fwm s ASN 368 CO 0.01 0.09 0.75 2.30 -2.79 0.00 0.00 177.10 177.46 1fwm n ILE 369 N 4.06 0.00 -0.02 -5.21 -6.64 -0.42 -3.80 119.36 107.32 1fwm n ILE 369 Ca -0.17 0.00 -0.09 0.00 -1.77 0.00 0.00 62.75 60.73 1fwm n ILE 369 Cb 0.52 -0.60 -0.02 0.00 -1.44 0.00 0.00 39.64 38.10 1fwm n ILE 369 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1fwm h ALA 370 N 2.22 -0.03 -0.60 -1.28 0.00 -1.92 -1.50 119.26 116.16 1fwm h ALA 370 Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1fwm h ALA 370 Cb 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1fwm h ALA 370 CO 0.00 -0.59 0.39 -0.92 0.00 0.00 0.00 179.25 178.14 1fwm h TYR 371 N -0.16 0.61 -0.02 0.00 5.03 -2.00 -1.31 116.97 119.12 1fwm h TYR 371 Ca 0.11 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.33 1fwm h TYR 371 Cb 0.33 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.40 1fwm h TYR 371 CO -0.29 0.34 -0.47 -0.07 -1.32 0.00 0.00 178.16 176.34 1fwm h LEU 372 N 0.61 0.04 -0.16 2.82 3.38 -1.57 -2.89 115.31 117.55 1fwm h LEU 372 Ca 0.25 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 1fwm h LEU 372 Cb 0.22 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1fwm h LEU 372 CO -0.07 0.51 -0.59 0.45 0.09 0.00 0.00 178.44 178.83 1fwm h HIS 373 N 0.03 0.90 -0.38 1.13 3.86 -0.50 0.24 115.15 120.42 1fwm h HIS 373 Ca -0.00 -0.38 0.11 0.00 -1.16 0.00 0.00 60.37 58.94 1fwm h HIS 373 Cb 0.85 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 29.16 1fwm h HIS 373 CO 0.00 1.18 0.43 0.93 0.86 0.00 0.00 177.93 181.33 1fwm h GLU 374 N 0.36 0.00 -0.27 2.45 5.08 -1.16 0.31 114.58 121.34 1fwm h GLU 374 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1fwm h GLU 374 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1fwm h GLU 374 CO 0.12 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.22 1fwm n ASN 375 N -3.67 3.65 -1.99 1.42 4.13 -1.04 -4.99 115.26 112.77 1fwm n ASN 375 Ca 0.07 -2.81 -0.19 0.00 1.68 0.00 0.00 54.58 53.32 1fwm n ASN 375 Cb 0.60 -0.48 -0.03 0.00 -1.54 0.00 0.00 39.78 38.33 1fwm n ASN 375 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1fwm n ASN 376 N -0.33 -5.49 -4.46 6.41 5.03 0.11 -4.99 115.26 111.54 1fwm n ASN 376 Ca 0.19 0.13 -0.36 0.00 0.87 0.00 0.00 54.58 55.40 1fwm n ASN 376 Cb 0.79 -4.57 -0.12 0.00 -1.02 0.00 0.00 39.78 34.85 1fwm n ASN 376 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1fwm s VAL 377 N -2.89 4.38 -0.64 2.41 0.11 0.79 -4.97 120.40 119.59 1fwm s VAL 377 Ca 0.00 -0.15 0.13 0.00 -2.93 0.00 0.00 61.98 59.03 1fwm s VAL 377 Cb 0.00 -3.05 0.38 0.00 -1.53 0.00 0.00 36.38 32.18 1fwm s VAL 377 CO 0.00 0.34 1.31 0.35 -3.33 0.00 0.00 175.10 173.77 1fwm n THR 378 N 4.88 1.46 0.31 5.04 -2.24 -1.26 -4.01 114.28 118.46 1fwm n THR 378 Ca -0.16 -1.32 0.19 0.00 -2.27 0.00 0.00 64.05 60.50 1fwm n THR 378 Cb 0.51 0.23 1.03 0.00 -2.10 0.00 0.00 70.33 70.01 1fwm n THR 378 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1fwm h ILE 379 N 1.91 0.13 -0.14 2.28 -2.65 -1.96 -2.39 117.51 114.68 1fwm h ILE 379 Ca 0.00 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.89 1fwm h ILE 379 Cb 0.98 0.89 0.00 0.00 -2.05 0.00 0.00 36.82 36.65 1fwm h ILE 379 CO 0.08 0.00 0.00 0.79 0.03 0.00 0.00 178.15 179.05 1fwm n TRP 380 N -3.24 0.17 -0.12 0.16 7.02 -1.26 -4.77 117.44 115.41 1fwm n TRP 380 Ca -0.02 -0.14 -0.06 0.00 -1.02 0.00 0.00 57.50 56.26 1fwm n TRP 380 Cb 0.19 -0.01 -0.00 0.00 -2.42 0.00 0.00 31.31 29.07 1fwm n TRP 380 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1fwm h ASP 381 N 2.88 -0.90 0.00 -0.99 5.19 -1.78 -2.97 116.42 117.86 1fwm h ASP 381 Ca 0.00 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1fwm h ASP 381 Cb 0.68 0.44 0.00 0.00 0.18 0.00 0.00 39.33 40.63 1fwm h ASP 381 CO 0.00 -0.28 0.00 -1.84 -3.12 0.00 0.00 179.24 174.00 1fwm n GLU 382 N -5.40 0.60 0.00 3.56 0.00 -1.26 -2.79 120.64 115.34 1fwm n GLU 382 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.18 1fwm n GLU 382 Cb 0.32 -1.12 0.00 0.00 0.00 0.00 0.00 31.44 30.64 1fwm n GLU 382 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 1fwm n TRP 383 N -0.62 0.00 -2.72 -1.84 8.01 -1.12 -5.05 117.44 114.10 1fwm n TRP 383 Ca 0.03 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.89 1fwm n TRP 383 Cb 0.02 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.26 1fwm n TRP 383 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1fwm s ALA 384 N -0.71 3.02 1.01 6.99 0.00 -1.12 -4.76 121.76 126.18 1fwm s ALA 384 Ca 0.00 0.40 -0.06 0.00 0.00 0.00 0.00 51.96 52.29 1fwm s ALA 384 Cb 0.00 -3.16 0.09 0.00 0.00 0.00 0.00 23.12 20.05 1fwm s ALA 384 CO 0.00 0.01 0.50 -0.40 0.00 0.00 0.00 175.76 175.88 1fwm n ASP 385 N -0.82 -0.05 0.28 0.00 5.68 0.00 -4.78 116.55 116.87 1fwm n ASP 385 Ca 0.07 -1.16 0.18 0.00 -0.50 0.00 0.00 54.79 53.39 1fwm n ASP 385 Cb 0.54 -0.39 0.95 0.00 -1.14 0.00 0.00 41.12 41.08 1fwm n ASP 385 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1fwm h GLU 386 N 0.00 0.00 -0.02 0.11 4.81 -1.97 0.20 114.58 117.71 1fwm h GLU 386 Ca -0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1fwm h GLU 386 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1fwm h GLU 386 CO 0.11 0.00 -0.37 0.09 -0.73 0.00 0.00 179.01 178.12 1fwm n ASN 387 N -3.49 2.13 0.00 1.04 4.13 -1.26 -4.96 115.26 112.86 1fwm n ASN 387 Ca -0.01 -1.56 0.00 0.00 1.68 0.00 0.00 54.58 54.69 1fwm n ASN 387 Cb 0.22 0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.82 1fwm n ASN 387 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1fwm n GLY 388 N 1.40 0.74 3.88 7.41 0.00 0.06 -4.93 105.19 113.75 1fwm n GLY 388 Ca 0.10 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 1fwm n GLY 388 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fwm s ASP 389 N -2.43 6.47 0.00 1.61 1.01 -1.26 -1.31 116.67 120.76 1fwm s ASP 389 Ca 0.00 0.53 0.10 0.00 0.71 0.00 0.00 52.55 53.89 1fwm s ASP 389 Cb 0.00 -2.08 -0.09 0.00 1.01 0.00 0.00 42.92 41.76 1fwm s ASP 389 CO 0.00 0.29 0.45 0.18 0.21 0.00 0.00 175.17 176.30 1fwm n LEU 390 N 1.33 0.58 0.00 1.23 4.77 -1.02 -0.82 117.00 123.09 1fwm n LEU 390 Ca -0.13 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1fwm n LEU 390 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1fwm n LEU 390 CO 0.39 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1fwm n GLY 391 N 1.17 -1.78 2.56 -0.72 0.00 -1.26 -0.15 105.19 105.00 1fwm n GLY 391 Ca 0.02 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 1fwm n GLY 391 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fwm n PRO 392 N 0.00 3.57 -0.17 1.61 -0.02 -1.26 -4.81 135.00 133.92 1fwm n PRO 392 Ca 0.00 -2.73 0.00 0.00 -2.02 0.00 0.00 63.50 58.75 1fwm n PRO 392 Cb 0.00 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 30.53 1fwm n PRO 392 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1fwm n VAL 393 N 3.72 0.00 0.00 -1.45 0.24 -1.26 -4.50 118.33 115.08 1fwm n VAL 393 Ca 0.62 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.92 1fwm n VAL 393 Cb 0.30 -1.73 0.00 0.00 -1.47 0.00 0.00 33.84 30.94 1fwm n VAL 393 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1fwm n TYR 394 N -1.11 0.00 -0.27 6.34 4.01 -1.26 -0.82 117.16 124.04 1fwm n TYR 394 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 1fwm n TYR 394 Cb 0.00 0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.24 1fwm n TYR 394 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1fwm h GLY 395 N 0.00 1.07 0.86 2.72 0.00 -1.78 -0.70 103.07 105.24 1fwm h GLY 395 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 1fwm h GLY 395 CO 0.00 -0.30 0.01 1.70 0.00 0.00 0.00 176.54 177.96 1fwm h LYS 396 N 0.18 0.05 -0.31 4.80 3.11 -1.13 -2.35 116.57 120.91 1fwm h LYS 396 Ca 0.46 -0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 58.22 1fwm h LYS 396 Cb 0.86 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.07 1fwm h LYS 396 CO -0.63 0.18 -0.12 1.96 -2.81 0.00 0.00 179.45 178.03 1fwm h GLN 397 N -0.10 0.53 -0.26 1.90 1.08 -1.19 0.17 115.11 117.24 1fwm h GLN 397 Ca 0.01 -0.16 -0.10 0.00 -1.45 0.00 0.00 58.65 56.95 1fwm h GLN 397 Cb 0.15 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1fwm h GLN 397 CO -0.00 0.65 -0.23 -1.49 -0.95 0.00 0.00 178.83 176.81 1fwm h TRP 398 N 0.49 0.74 0.00 2.96 4.06 -1.12 -3.28 115.95 119.81 1fwm h TRP 398 Ca 0.09 -0.22 -0.20 0.00 2.06 0.00 0.00 58.89 60.63 1fwm h TRP 398 Cb 0.50 -0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 28.47 1fwm h TRP 398 CO 0.02 0.93 -1.73 0.54 -3.56 0.00 0.00 178.44 174.64 1fwm n ARG 399 N -4.34 0.64 -2.91 0.49 5.12 -0.89 -1.50 116.66 113.27 1fwm n ARG 399 Ca -0.04 0.12 -0.14 0.00 -1.93 0.00 0.00 57.85 55.86 1fwm n ARG 399 Cb 0.43 -1.70 0.01 0.00 -1.16 0.00 0.00 32.46 30.03 1fwm n ARG 399 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1fwm n ALA 400 N -2.46 0.02 -1.96 7.54 0.00 0.57 -3.78 120.51 120.43 1fwm n ALA 400 Ca -0.14 -2.15 -0.42 0.00 0.00 0.00 0.00 53.44 50.72 1fwm n ALA 400 Cb 0.89 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 1fwm n ALA 400 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1fwm s TRP 401 N -0.01 1.87 -0.01 0.00 -0.11 0.60 -4.66 118.94 116.62 1fwm s TRP 401 Ca 0.33 0.18 -0.30 0.00 1.22 0.00 0.00 56.10 57.53 1fwm s TRP 401 Cb 0.21 -3.97 -0.04 0.00 -1.50 0.00 0.00 33.47 28.17 1fwm s TRP 401 CO -0.20 -3.93 1.13 -1.25 -4.62 0.00 0.00 176.95 168.08 1fwm s PRO 402 N 4.31 4.44 0.42 5.86 0.04 -1.26 -1.00 135.00 147.80 1fwm s PRO 402 Ca 0.76 1.61 -0.06 0.00 0.04 0.00 0.00 61.00 63.35 1fwm s PRO 402 Cb -0.33 -3.46 -0.05 0.00 0.04 0.00 0.00 34.50 30.70 1fwm s PRO 402 CO 0.31 -0.27 0.73 0.95 0.04 0.00 0.00 177.00 178.75 1fwm s THR 403 N 1.52 4.91 0.31 1.26 -4.23 -0.89 -4.96 115.64 113.55 1fwm s THR 403 Ca 0.55 0.24 0.36 0.00 -1.18 0.00 0.00 61.69 61.66 1fwm s THR 403 Cb -0.25 -3.81 0.37 0.00 1.34 0.00 0.00 72.50 70.15 1fwm s THR 403 CO 0.25 -0.66 2.10 -0.65 -0.54 0.00 0.00 174.62 175.13 1fwm h PRO 404 N 0.77 0.00 -0.66 3.99 0.11 -1.97 -2.17 132.00 132.07 1fwm h PRO 404 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1fwm h PRO 404 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1fwm h PRO 404 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 1fwm n ASP 405 N -2.81 4.68 0.00 -2.05 5.75 -1.26 -4.96 116.55 115.91 1fwm n ASP 405 Ca -0.02 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.32 1fwm n ASP 405 Cb 0.09 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 1fwm n ASP 405 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fwm n GLY 406 N 1.13 3.37 3.13 6.12 0.00 -0.82 -5.07 105.19 113.05 1fwm n GLY 406 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 1fwm n GLY 406 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fwm n ARG 407 N -1.79 -2.58 -3.88 1.61 1.74 -1.26 -4.79 116.66 105.71 1fwm n ARG 407 Ca 0.00 -1.58 -0.12 0.00 -0.77 0.00 0.00 57.85 55.38 1fwm n ARG 407 Cb 0.00 -1.40 -0.14 0.00 -1.02 0.00 0.00 32.46 29.91 1fwm n ARG 407 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1fwm s HIS 408 N -2.88 0.03 -0.14 -1.55 3.76 -1.26 -2.10 115.29 111.14 1fwm s HIS 408 Ca 0.63 -0.06 0.01 0.00 -0.15 0.00 0.00 55.06 55.49 1fwm s HIS 408 Cb -0.05 -0.02 -0.00 0.00 1.11 0.00 0.00 32.58 33.61 1fwm s HIS 408 CO 0.48 -0.03 -0.17 0.42 -0.85 0.00 0.00 174.74 174.59 1fwm s ILE 409 N -0.18 2.56 -0.73 0.60 -1.09 -0.17 -4.88 121.20 117.31 1fwm s ILE 409 Ca -0.02 -0.81 -0.16 0.00 -2.23 0.00 0.00 60.65 57.43 1fwm s ILE 409 Cb -0.01 -2.06 0.16 0.00 -1.58 0.00 0.00 42.46 38.97 1fwm s ILE 409 CO -0.00 0.53 0.74 -0.62 -1.23 0.00 0.00 174.94 174.36 1fwm s ASP 410 N 0.71 6.50 0.42 3.58 -1.08 -1.25 -0.29 116.67 125.26 1fwm s ASP 410 Ca -0.08 -2.15 0.10 0.00 -0.52 0.00 0.00 52.55 49.90 1fwm s ASP 410 Cb -0.16 -2.25 0.89 0.00 -1.46 0.00 0.00 42.92 39.94 1fwm s ASP 410 CO 0.01 -0.81 2.00 1.56 0.52 0.00 0.00 175.17 178.45 1fwm h GLN 411 N 8.46 0.28 -0.24 4.34 4.20 -1.51 -1.61 115.11 129.02 1fwm h GLN 411 Ca -0.06 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 1fwm h GLN 411 Cb 1.06 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 1fwm h GLN 411 CO 0.94 0.30 -0.10 0.82 -0.67 0.00 0.00 178.83 180.11 1fwm h ILE 412 N 0.28 1.30 -0.60 2.54 5.03 -1.88 -0.23 117.51 123.94 1fwm h ILE 412 Ca 0.07 -1.17 -0.03 0.00 -0.12 0.00 0.00 64.86 63.61 1fwm h ILE 412 Cb 0.18 1.55 -0.03 0.00 -3.03 0.00 0.00 36.82 35.49 1fwm h ILE 412 CO 0.00 0.36 0.25 0.74 -0.68 0.00 0.00 178.15 178.83 1fwm h THR 413 N 0.23 1.23 -0.29 -0.27 2.02 -1.80 -0.99 112.91 113.04 1fwm h THR 413 Ca 0.06 -0.69 -0.09 0.00 0.77 0.00 0.00 66.41 66.46 1fwm h THR 413 Cb 0.60 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1fwm h THR 413 CO 0.03 0.27 -0.22 0.71 0.37 0.00 0.00 175.52 176.69 1fwm h THR 414 N 0.84 1.26 -0.50 3.16 1.35 -1.20 -1.62 112.91 116.20 1fwm h THR 414 Ca 0.20 -1.23 -0.05 0.00 -0.55 0.00 0.00 66.41 64.78 1fwm h THR 414 Cb 0.18 1.28 -0.02 0.00 -1.73 0.00 0.00 68.15 67.86 1fwm h THR 414 CO -0.02 0.40 0.11 0.58 -0.25 0.00 0.00 175.52 176.34 1fwm h VAL 415 N 0.48 1.24 -0.61 6.82 2.07 -0.70 0.11 116.25 125.66 1fwm h VAL 415 Ca 0.07 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.75 1fwm h VAL 415 Cb 0.64 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1fwm h VAL 415 CO 0.05 0.31 0.39 0.25 0.02 0.00 0.00 177.57 178.59 1fwm h LEU 416 N 0.69 0.65 -0.91 2.57 7.12 -0.86 -0.65 115.31 123.92 1fwm h LEU 416 Ca 0.15 -0.01 -0.11 0.00 0.13 0.00 0.00 57.88 58.04 1fwm h LEU 416 Cb 0.35 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.31 1fwm h LEU 416 CO 0.00 0.46 -0.54 0.78 -0.13 0.00 0.00 178.44 179.02 1fwm h ASN 417 N 0.78 0.01 -0.27 1.25 -0.26 -1.03 -2.58 115.58 113.48 1fwm h ASN 417 Ca 0.24 -0.01 -0.19 0.00 -0.56 0.00 0.00 56.30 55.78 1fwm h ASN 417 Cb -0.03 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 1fwm h ASN 417 CO -0.08 0.55 -0.58 1.56 -1.06 0.00 0.00 177.43 177.82 1fwm h GLN 418 N 0.01 0.88 -0.38 0.81 4.20 -0.33 -0.06 115.11 120.24 1fwm h GLN 418 Ca -0.00 -0.58 -0.05 0.00 0.06 0.00 0.00 58.65 58.08 1fwm h GLN 418 Cb 0.96 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 1fwm h GLN 418 CO 0.07 1.21 0.04 -0.07 -0.67 0.00 0.00 178.83 179.41 1fwm h LEU 419 N 0.66 0.54 0.15 1.46 3.38 -1.01 0.26 115.31 120.75 1fwm h LEU 419 Ca 0.01 -0.09 -0.24 0.00 0.09 0.00 0.00 57.88 57.65 1fwm h LEU 419 Cb 1.19 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 41.82 1fwm h LEU 419 CO 0.13 0.58 -1.10 0.11 0.09 0.00 0.00 178.44 178.25 1fwm h LYS 420 N 0.56 0.32 0.00 1.13 1.57 -1.37 -3.34 116.57 115.44 1fwm h LYS 420 Ca 0.12 -0.54 -0.04 0.00 -1.87 0.00 0.00 60.65 58.32 1fwm h LYS 420 Cb 0.29 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1fwm h LYS 420 CO 0.00 1.26 -1.95 0.09 -0.57 0.00 0.00 179.45 178.28 1fwm n ASN 421 N -4.00 0.08 -3.04 0.86 4.13 -0.04 -4.71 115.26 108.53 1fwm n ASN 421 Ca -0.18 0.03 -0.16 0.00 1.68 0.00 0.00 54.58 55.95 1fwm n ASN 421 Cb 0.89 1.74 -0.01 0.00 -1.54 0.00 0.00 39.78 40.86 1fwm n ASN 421 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1fwm n ASP 422 N -2.36 -0.42 0.23 6.41 2.03 0.86 -4.98 116.55 118.32 1fwm n ASP 422 Ca -0.07 -3.12 0.13 0.00 0.52 0.00 0.00 54.79 52.26 1fwm n ASP 422 Cb 0.64 0.20 0.76 0.00 -0.72 0.00 0.00 41.12 42.00 1fwm n ASP 422 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1fwm h PRO 423 N 3.35 0.00 0.00 -0.67 0.13 -1.55 -1.97 132.00 131.29 1fwm h PRO 423 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1fwm h PRO 423 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1fwm h PRO 423 CO 0.39 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.91 1fwm n ASP 424 N -4.18 0.00 -4.56 1.44 8.00 -1.26 -4.08 116.55 111.90 1fwm n ASP 424 Ca -0.01 0.21 -0.41 0.00 0.71 0.00 0.00 54.79 55.29 1fwm n ASP 424 Cb 0.19 -0.39 0.01 0.00 -0.02 0.00 0.00 41.12 40.91 1fwm n ASP 424 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1fwm n SER 425 N -1.39 0.59 -0.96 -2.24 2.88 -0.74 -4.90 113.62 106.86 1fwm n SER 425 Ca 0.09 0.98 0.09 0.00 -1.33 0.00 0.00 58.87 58.70 1fwm n SER 425 Cb 0.23 -1.28 0.20 0.00 -0.75 0.00 0.00 64.21 62.60 1fwm n SER 425 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1fwm n ARG 426 N 0.19 2.40 -2.17 -1.46 1.74 -1.26 -4.46 116.66 111.64 1fwm n ARG 426 Ca 0.10 -2.16 -0.14 0.00 -0.77 0.00 0.00 57.85 54.88 1fwm n ARG 426 Cb 0.40 -1.42 0.04 0.00 -1.02 0.00 0.00 32.46 30.46 1fwm n ARG 426 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1fwm n ARG 427 N 1.15 2.85 -2.79 5.56 1.85 -1.26 -4.94 116.66 119.07 1fwm n ARG 427 Ca 0.17 -3.87 -0.43 0.00 -1.00 0.00 0.00 57.85 52.72 1fwm n ARG 427 Cb 0.52 -1.98 -0.02 0.00 -1.05 0.00 0.00 32.46 29.93 1fwm n ARG 427 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1fwm s ILE 428 N -4.17 4.51 0.07 8.89 1.01 -1.26 -4.95 121.20 125.30 1fwm s ILE 428 Ca 0.43 -1.66 0.07 0.00 0.00 0.00 0.00 60.65 59.49 1fwm s ILE 428 Cb 0.38 -4.94 -0.03 0.00 0.01 0.00 0.00 42.46 37.89 1fwm s ILE 428 CO 0.00 -1.71 -0.18 -0.63 0.00 0.00 0.00 174.94 172.42 1fwm s ILE 429 N 3.22 1.46 -0.11 2.92 1.01 -1.26 -0.85 121.20 127.58 1fwm s ILE 429 Ca 0.41 -1.29 0.01 0.00 0.00 0.00 0.00 60.65 59.78 1fwm s ILE 429 Cb -0.02 -1.32 0.02 0.00 0.01 0.00 0.00 42.46 41.15 1fwm s ILE 429 CO -0.05 -0.01 -0.13 -0.69 0.00 0.00 0.00 174.94 174.05 1fwm s VAL 430 N -1.02 1.38 -0.05 2.92 1.01 -0.54 -4.94 120.40 119.15 1fwm s VAL 430 Ca 0.04 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1fwm s VAL 430 Cb -0.09 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.00 1fwm s VAL 430 CO 0.03 0.42 -0.19 -0.55 0.00 0.00 0.00 175.10 174.80 1fwm s SER 431 N 1.16 2.44 0.00 3.32 0.15 -1.26 -1.56 113.70 117.94 1fwm s SER 431 Ca -0.04 -0.41 0.15 0.00 0.70 0.00 0.00 55.95 56.36 1fwm s SER 431 Cb -0.14 -0.76 0.20 0.00 -1.71 0.00 0.00 66.02 63.61 1fwm s SER 431 CO -0.04 0.17 1.08 0.00 1.20 0.00 0.00 173.24 175.65 1fwm n ALA 432 N 3.19 2.42 -2.80 5.45 0.00 0.40 -4.70 120.51 124.46 1fwm n ALA 432 Ca -0.18 -0.76 -0.44 0.00 0.00 0.00 0.00 53.44 52.06 1fwm n ALA 432 Cb 0.53 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1fwm n ALA 432 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1fwm n TRP 433 N 0.88 4.57 -3.15 0.00 -0.00 -1.20 -4.87 117.44 113.67 1fwm n TRP 433 Ca 0.11 -3.22 -0.45 0.00 -0.00 0.00 0.00 57.50 53.93 1fwm n TRP 433 Cb 0.41 -2.18 -0.02 0.00 -0.00 0.00 0.00 31.31 29.53 1fwm n TRP 433 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1fwm s ASN 434 N 2.54 6.77 0.32 5.87 3.04 -1.26 -4.93 114.94 127.28 1fwm s ASN 434 Ca 0.43 -2.52 0.05 0.00 0.04 0.00 0.00 52.86 50.86 1fwm s ASN 434 Cb 0.00 -2.29 0.87 0.00 -1.54 0.00 0.00 41.25 38.28 1fwm s ASN 434 CO 0.01 -0.75 1.58 0.58 -3.04 0.00 0.00 177.10 175.47 1fwm h VAL 435 N 5.11 0.03 0.00 -5.21 2.07 -2.02 0.58 116.25 116.81 1fwm h VAL 435 Ca 0.14 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1fwm h VAL 435 Cb 1.01 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1fwm h VAL 435 CO 0.93 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.14 1fwm n GLY 436 N -1.45 -0.85 0.00 2.17 0.00 -1.26 -3.32 105.19 100.49 1fwm n GLY 436 Ca 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1fwm n GLY 436 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fwm n GLU 437 N -0.86 0.15 -0.32 1.61 1.02 0.17 -4.80 120.64 117.61 1fwm n GLU 437 Ca 0.15 -0.26 0.04 0.00 -0.02 0.00 0.00 57.16 57.06 1fwm n GLU 437 Cb 0.07 -0.73 0.19 0.00 -0.02 0.00 0.00 31.44 30.94 1fwm n GLU 437 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1fwm h LEU 438 N 0.00 0.76 -2.65 -4.62 3.38 -1.49 -0.23 115.31 110.46 1fwm h LEU 438 Ca 0.00 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1fwm h LEU 438 Cb 0.16 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1fwm h LEU 438 CO 0.00 0.42 -0.01 -2.24 0.09 0.00 0.00 178.44 176.71 1fwm h ASP 439 N 0.86 0.00 0.93 -0.43 2.03 -1.87 -1.43 116.42 116.52 1fwm h ASP 439 Ca 0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.73 1fwm h ASP 439 Cb 0.40 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.90 1fwm h ASP 439 CO -0.25 0.01 -0.66 0.11 -1.03 0.00 0.00 179.24 177.41 1fwm h LYS 440 N 0.00 0.00 -6.82 4.15 6.56 -1.39 -3.47 116.57 115.61 1fwm h LYS 440 Ca -0.00 0.00 -0.49 0.00 -1.06 0.00 0.00 60.65 59.10 1fwm h LYS 440 Cb 0.09 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.74 1fwm h LYS 440 CO 0.00 0.00 0.39 -1.64 -2.06 0.00 0.00 179.45 176.14 1fwm s MET 441 N -3.20 4.67 0.00 3.15 -1.94 -0.54 -4.31 119.30 117.13 1fwm s MET 441 Ca 0.05 1.54 0.18 0.00 -1.71 0.00 0.00 55.69 55.75 1fwm s MET 441 Cb 0.12 -3.07 1.03 0.00 2.01 0.00 0.00 34.83 34.93 1fwm s MET 441 CO 0.73 0.32 1.53 0.00 -0.01 0.00 0.00 175.02 177.59 1fwm n ALA 442 N 1.04 2.10 -3.63 3.03 0.00 0.79 -4.72 120.51 119.12 1fwm n ALA 442 Ca -0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.28 1fwm n ALA 442 Cb 0.47 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 1fwm n ALA 442 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1fwm s LEU 443 N -2.24 -0.20 -0.08 0.00 2.96 -1.26 -5.02 118.68 112.84 1fwm s LEU 443 Ca 0.24 0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 54.18 1fwm s LEU 443 Cb 0.13 1.41 -0.02 0.00 0.50 0.00 0.00 46.19 48.21 1fwm s LEU 443 CO 0.24 -0.10 1.01 0.00 -1.32 0.00 0.00 176.35 176.18 1fwm s ALA 444 N -0.27 3.37 -0.12 5.97 0.00 -1.26 -4.96 121.76 124.48 1fwm s ALA 444 Ca 0.05 0.42 -0.39 0.00 0.00 0.00 0.00 51.96 52.04 1fwm s ALA 444 Cb -0.04 -3.42 -0.17 0.00 0.00 0.00 0.00 23.12 19.49 1fwm s ALA 444 CO -0.09 -0.55 1.50 -2.30 0.00 0.00 0.00 175.76 174.32 1fwm n PRO 445 N 4.82 0.95 0.12 0.00 -0.02 -1.26 -4.87 135.00 134.73 1fwm n PRO 445 Ca 0.08 0.34 0.08 0.00 -2.02 0.00 0.00 63.50 61.99 1fwm n PRO 445 Cb 0.49 -1.98 0.02 0.00 -0.02 0.00 0.00 33.50 32.02 1fwm n PRO 445 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fwm s HIS 447 N -3.20 2.55 -1.16 0.00 -3.43 -1.26 -2.95 115.29 105.85 1fwm s HIS 447 Ca 0.01 -2.80 0.12 0.00 -0.80 0.00 0.00 55.06 51.59 1fwm s HIS 447 Cb 0.08 -2.24 0.27 0.00 -1.43 0.00 0.00 32.58 29.25 1fwm s HIS 447 CO 0.76 -0.73 1.16 0.00 -2.00 0.00 0.00 174.74 173.93 1fwm n ALA 448 N 3.10 2.27 -3.64 -1.38 0.00 -1.26 -4.86 120.51 114.75 1fwm n ALA 448 Ca 0.11 -1.00 -0.07 0.00 0.00 0.00 0.00 53.44 52.48 1fwm n ALA 448 Cb 0.35 -0.46 -0.08 0.00 0.00 0.00 0.00 19.45 19.26 1fwm n ALA 448 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1fwm s PHE 449 N -1.00 -0.90 0.04 0.00 2.19 -1.25 -0.45 117.98 116.60 1fwm s PHE 449 Ca 0.22 1.63 -0.02 0.00 0.33 0.00 0.00 56.93 59.09 1fwm s PHE 449 Cb 0.12 0.38 -0.03 0.00 -1.31 0.00 0.00 43.02 42.19 1fwm s PHE 449 CO 0.17 -0.53 0.01 -0.59 1.83 0.00 0.00 175.22 176.11 1fwm s PHE 450 N 2.66 0.35 0.00 10.12 -0.71 -0.60 -1.48 117.98 128.32 1fwm s PHE 450 Ca -0.01 -0.74 0.03 0.00 -1.04 0.00 0.00 56.93 55.16 1fwm s PHE 450 Cb -0.12 -0.26 -0.01 0.00 -1.21 0.00 0.00 43.02 41.42 1fwm s PHE 450 CO -0.14 -0.32 -0.09 -1.14 -1.34 0.00 0.00 175.22 172.19 1fwm s GLN 451 N -2.83 0.69 0.14 1.99 0.74 0.06 -1.47 119.66 118.98 1fwm s GLN 451 Ca -0.03 -0.37 0.03 0.00 0.05 0.00 0.00 55.36 55.04 1fwm s GLN 451 Cb 0.00 -0.66 -0.04 0.00 1.10 0.00 0.00 33.01 33.42 1fwm s GLN 451 CO -0.06 0.18 0.21 -0.06 -0.55 0.00 0.00 175.29 175.01 1fwm s PHE 452 N -0.34 3.36 -0.15 1.67 0.08 -0.03 -0.71 117.98 121.86 1fwm s PHE 452 Ca 0.02 0.09 -0.12 0.00 0.12 0.00 0.00 56.93 57.04 1fwm s PHE 452 Cb -0.04 -1.62 0.04 0.00 -0.57 0.00 0.00 43.02 40.83 1fwm s PHE 452 CO -0.00 0.53 0.39 -0.47 -0.10 0.00 0.00 175.22 175.57 1fwm s TYR 453 N -1.69 -0.47 -0.05 0.36 6.14 -0.37 -4.48 117.35 116.79 1fwm s TYR 453 Ca 0.33 1.11 0.05 0.00 0.64 0.00 0.00 57.07 59.20 1fwm s TYR 453 Cb -0.11 0.18 -0.01 0.00 0.42 0.00 0.00 41.96 42.44 1fwm s TYR 453 CO 0.26 -0.25 -0.22 0.08 0.64 0.00 0.00 175.55 176.07 1fwm s VAL 454 N 0.58 1.81 -0.24 3.14 1.01 -1.26 -0.55 120.40 124.90 1fwm s VAL 454 Ca -0.03 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 1fwm s VAL 454 Cb -0.05 -1.54 0.08 0.00 0.00 0.00 0.00 36.38 34.87 1fwm s VAL 454 CO -0.04 0.51 0.56 0.00 0.00 0.00 0.00 175.10 176.14 1fwm s ALA 455 N -0.08 -1.54 -1.33 5.51 0.00 -1.04 -4.80 121.76 118.47 1fwm s ALA 455 Ca -0.04 2.02 -0.01 0.00 0.00 0.00 0.00 51.96 53.93 1fwm s ALA 455 Cb -0.13 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.70 1fwm s ALA 455 CO 0.03 -0.46 0.69 -0.25 0.00 0.00 0.00 175.76 175.77 1fwm n ASP 456 N 4.57 -1.32 0.00 0.00 8.00 -1.26 -1.79 116.55 124.75 1fwm n ASP 456 Ca -0.19 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1fwm n ASP 456 Cb 0.55 -3.93 0.00 0.00 -0.02 0.00 0.00 41.12 37.72 1fwm n ASP 456 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fwm n GLY 457 N -1.63 0.82 3.87 0.44 0.00 -1.26 -4.97 105.19 102.47 1fwm n GLY 457 Ca -0.28 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1fwm n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fwm s LYS 458 N -0.30 3.72 -0.24 1.61 1.02 -0.74 0.10 119.74 124.90 1fwm s LYS 458 Ca 0.00 0.12 -0.04 0.00 0.02 0.00 0.00 55.97 56.06 1fwm s LYS 458 Cb 0.00 -3.01 -0.00 0.00 -0.52 0.00 0.00 37.83 34.29 1fwm s LYS 458 CO 0.00 0.58 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.83 1fwm s LEU 459 N -1.88 3.20 0.30 3.17 2.96 0.17 -2.50 118.68 124.10 1fwm s LEU 459 Ca 0.32 -0.52 0.09 0.00 -0.22 0.00 0.00 54.13 53.79 1fwm s LEU 459 Cb -0.14 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1fwm s LEU 459 CO 0.18 -0.08 0.07 -0.44 -1.32 0.00 0.00 176.35 174.76 1fwm s SER 460 N 1.47 4.65 -0.12 3.68 0.01 0.29 -0.07 113.70 123.61 1fwm s SER 460 Ca 0.04 -0.69 -0.08 0.00 1.31 0.00 0.00 55.95 56.54 1fwm s SER 460 Cb -0.15 -0.82 0.04 0.00 0.21 0.00 0.00 66.02 65.30 1fwm s SER 460 CO -0.02 -0.14 0.30 0.00 0.41 0.00 0.00 173.24 173.80 1fwm s GLN 462 N 0.85 2.74 -0.13 0.00 0.74 0.12 -0.92 119.66 123.05 1fwm s GLN 462 Ca -0.06 -0.81 0.02 0.00 0.05 0.00 0.00 55.36 54.57 1fwm s GLN 462 Cb -0.07 -2.32 0.01 0.00 1.10 0.00 0.00 33.01 31.73 1fwm s GLN 462 CO -0.06 0.40 -0.21 -1.17 -0.55 0.00 0.00 175.29 173.70 1fwm s LEU 463 N -0.17 2.03 -0.32 3.68 1.98 -0.54 -0.76 118.68 124.59 1fwm s LEU 463 Ca -0.02 -0.57 -0.13 0.00 -2.89 0.00 0.00 54.13 50.52 1fwm s LEU 463 Cb -0.14 -1.37 -0.03 0.00 0.66 0.00 0.00 46.19 45.31 1fwm s LEU 463 CO 0.04 0.07 0.26 -0.47 -1.89 0.00 0.00 176.35 174.36 1fwm s TYR 464 N 0.81 3.22 -0.42 5.38 6.14 -0.55 -0.81 117.35 131.12 1fwm s TYR 464 Ca -0.08 -0.01 -0.05 0.00 0.64 0.00 0.00 57.07 57.57 1fwm s TYR 464 Cb -0.16 -2.50 0.11 0.00 0.42 0.00 0.00 41.96 39.84 1fwm s TYR 464 CO -0.01 -0.30 0.24 -1.14 0.64 0.00 0.00 175.55 174.98 1fwm s GLN 465 N 1.83 2.16 0.26 4.97 0.74 0.33 -3.90 119.66 126.05 1fwm s GLN 465 Ca 0.08 -1.78 -0.03 0.00 0.05 0.00 0.00 55.36 53.68 1fwm s GLN 465 Cb -0.17 -3.67 0.39 0.00 1.10 0.00 0.00 33.01 30.66 1fwm s GLN 465 CO 0.11 -1.09 1.88 -0.56 -0.55 0.00 0.00 175.29 175.08 1fwm h GLN 466 N 8.17 1.13 -4.78 1.67 3.07 -1.81 -1.01 115.11 121.56 1fwm h GLN 466 Ca -0.16 -0.07 -0.54 0.00 0.09 0.00 0.00 58.65 57.98 1fwm h GLN 466 Cb 1.06 -0.26 -0.33 0.00 0.08 0.00 0.00 27.48 28.03 1fwm h GLN 466 CO 0.74 0.75 -0.82 0.45 0.09 0.00 0.00 178.83 180.04 1fwm s SER 467 N -5.90 1.95 -0.14 0.06 0.15 -1.23 -0.79 113.70 107.81 1fwm s SER 467 Ca -0.13 -0.33 -0.04 0.00 0.70 0.00 0.00 55.95 56.16 1fwm s SER 467 Cb 0.20 -0.81 0.07 0.00 -1.71 0.00 0.00 66.02 63.76 1fwm s SER 467 CO 0.81 0.07 0.20 0.00 1.20 0.00 0.00 173.24 175.52 1fwm s ASP 469 N 2.32 6.31 0.16 0.00 -1.08 -1.26 -1.09 116.67 122.03 1fwm s ASP 469 Ca 0.04 0.22 -0.16 0.00 -0.52 0.00 0.00 52.55 52.13 1fwm s ASP 469 Cb -0.13 -2.55 0.04 0.00 -1.46 0.00 0.00 42.92 38.81 1fwm s ASP 469 CO -0.09 -1.58 1.81 0.58 0.52 0.00 0.00 175.17 176.41 1fwm h VAL 470 N 6.27 1.06 -0.01 1.11 2.07 -0.93 -1.59 116.25 124.23 1fwm h VAL 470 Ca -0.26 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 1fwm h VAL 470 Cb 1.07 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1fwm h VAL 470 CO 1.18 0.09 -0.14 0.15 0.02 0.00 0.00 177.57 178.87 1fwm h PHE 471 N 0.52 0.17 0.00 1.57 3.04 -1.91 -3.33 116.94 116.99 1fwm h PHE 471 Ca 0.16 -0.08 -0.11 0.00 3.98 0.00 0.00 57.97 61.92 1fwm h PHE 471 Cb -0.01 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.46 1fwm h PHE 471 CO -0.06 0.82 -0.73 -0.07 -2.02 0.00 0.00 178.31 176.25 1fwm h LEU 472 N -0.54 0.00 -0.02 0.59 4.07 -1.97 -3.43 115.31 114.02 1fwm h LEU 472 Ca -0.01 -0.37 -0.17 0.00 0.08 0.00 0.00 57.88 57.40 1fwm h LEU 472 Cb 0.85 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.61 1fwm h LEU 472 CO 0.03 1.10 -0.66 1.23 -1.08 0.00 0.00 178.44 179.06 1fwm h GLY 473 N -1.00 0.53 0.20 0.83 0.00 -1.69 -3.37 103.07 98.56 1fwm h GLY 473 Ca -0.16 -0.90 0.07 0.00 0.00 0.00 0.00 47.33 46.34 1fwm h GLY 473 CO -0.10 0.80 -0.15 -2.00 0.00 0.00 0.00 176.54 175.09 1fwm h LEU 474 N 0.01 -0.51 -1.24 3.11 5.85 -1.41 -1.25 115.31 119.87 1fwm h LEU 474 Ca -0.08 0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.85 1fwm h LEU 474 Cb 1.35 0.29 -0.06 0.00 0.37 0.00 0.00 40.66 42.61 1fwm h LEU 474 CO 0.13 -0.19 0.55 -0.65 -0.34 0.00 0.00 178.44 177.95 1fwm h PRO 475 N -0.10 0.85 0.25 5.25 0.11 -1.76 -1.30 132.00 135.29 1fwm h PRO 475 Ca 0.17 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 1fwm h PRO 475 Cb 0.35 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1fwm h PRO 475 CO -0.39 0.56 -0.12 0.35 -0.21 0.00 0.00 178.00 178.19 1fwm h PHE 476 N 0.87 -0.31 -0.55 0.65 3.57 -1.44 -2.86 116.94 116.87 1fwm h PHE 476 Ca 0.38 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.80 1fwm h PHE 476 Cb 0.34 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1fwm h PHE 476 CO -0.00 -0.16 0.05 -0.91 -2.23 0.00 0.00 178.31 175.05 1fwm h ASN 477 N -0.38 0.87 0.19 0.41 -0.26 -0.82 -1.09 115.58 114.49 1fwm h ASN 477 Ca -0.03 -0.20 -0.01 0.00 -0.56 0.00 0.00 56.30 55.49 1fwm h ASN 477 Cb 0.29 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 1fwm h ASN 477 CO 0.06 0.90 -0.09 0.40 -1.06 0.00 0.00 177.43 177.63 1fwm h ILE 478 N 0.85 0.84 -0.80 2.81 1.08 -1.25 -1.96 117.51 119.08 1fwm h ILE 478 Ca 0.17 -0.11 -0.01 0.00 -0.39 0.00 0.00 64.86 64.52 1fwm h ILE 478 Cb 0.43 0.90 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 1fwm h ILE 478 CO 0.02 0.03 0.48 0.00 -0.69 0.00 0.00 178.15 177.98 1fwm h ALA 479 N 0.49 1.02 -0.35 1.87 0.00 -1.45 -1.80 119.26 119.05 1fwm h ALA 479 Ca -0.03 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1fwm h ALA 479 Cb 0.24 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1fwm h ALA 479 CO 0.04 0.49 0.19 1.03 0.00 0.00 0.00 179.25 181.01 1fwm h SER 480 N 1.10 0.30 0.68 0.00 0.87 -0.99 -1.45 113.55 114.07 1fwm h SER 480 Ca 0.29 0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.67 1fwm h SER 480 Cb -0.04 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 1fwm h SER 480 CO -0.05 0.22 -0.85 1.88 -0.53 0.00 0.00 176.83 177.49 1fwm h TYR 481 N 0.39 0.17 -0.20 2.24 0.05 -1.25 -2.24 116.97 116.13 1fwm h TYR 481 Ca 0.14 -0.10 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 1fwm h TYR 481 Cb 0.02 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1fwm h TYR 481 CO -0.08 0.91 -0.13 0.00 -1.05 0.00 0.00 178.16 177.81 1fwm h ALA 482 N 1.06 1.40 0.13 3.88 0.00 -1.19 -1.01 119.26 123.52 1fwm h ALA 482 Ca -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1fwm h ALA 482 Cb 1.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1fwm h ALA 482 CO 0.12 0.41 -0.06 1.25 0.00 0.00 0.00 179.25 180.97 1fwm h LEU 483 N 0.31 -0.14 -1.27 0.00 6.46 -1.04 -2.45 115.31 117.17 1fwm h LEU 483 Ca 0.06 -0.25 0.09 0.00 -0.12 0.00 0.00 57.88 57.66 1fwm h LEU 483 Cb 0.43 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.34 1fwm h LEU 483 CO 0.02 0.18 0.54 0.25 -0.62 0.00 0.00 178.44 178.81 1fwm h LEU 484 N -0.48 0.74 -0.47 2.25 5.85 -1.01 -0.90 115.31 121.28 1fwm h LEU 484 Ca -0.02 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1fwm h LEU 484 Cb 0.38 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1fwm h LEU 484 CO 0.03 0.44 0.12 0.58 -0.34 0.00 0.00 178.44 179.27 1fwm h VAL 485 N 0.82 1.24 -0.46 1.05 2.07 -1.07 0.24 116.25 120.13 1fwm h VAL 485 Ca 0.38 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1fwm h VAL 485 Cb 0.39 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1fwm h VAL 485 CO -0.15 0.30 0.17 0.45 0.02 0.00 0.00 177.57 178.35 1fwm h HIS 486 N 0.64 0.73 0.21 1.57 3.86 -0.83 0.44 115.15 121.77 1fwm h HIS 486 Ca 0.15 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1fwm h HIS 486 Cb 0.32 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1fwm h HIS 486 CO 0.02 0.63 -0.18 0.52 0.86 0.00 0.00 177.93 179.78 1fwm h MET 487 N 0.61 -0.39 -0.20 2.45 2.07 -0.96 -1.68 114.93 116.84 1fwm h MET 487 Ca 0.15 0.03 0.04 0.00 -2.07 0.00 0.00 59.70 57.85 1fwm h MET 487 Cb 0.23 0.09 -0.04 0.00 -1.87 0.00 0.00 31.60 30.01 1fwm h MET 487 CO -0.01 -0.26 -0.05 0.52 1.07 0.00 0.00 176.91 178.19 1fwm h MET 488 N -0.40 0.00 -0.88 1.72 2.86 -0.81 -2.00 114.93 115.43 1fwm h MET 488 Ca -0.01 -0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 1fwm h MET 488 Cb 0.37 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.95 1fwm h MET 488 CO -0.02 0.00 0.52 0.00 1.06 0.00 0.00 176.91 178.47 1fwm h ALA 489 N 1.19 1.26 -0.43 6.32 0.00 -0.76 -1.46 119.26 125.38 1fwm h ALA 489 Ca 0.09 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1fwm h ALA 489 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1fwm h ALA 489 CO -0.20 0.17 0.09 0.37 0.00 0.00 0.00 179.25 179.68 1fwm h GLN 490 N 0.88 0.70 0.00 0.00 4.15 -0.80 -0.24 115.11 119.81 1fwm h GLN 490 Ca 0.42 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.64 1fwm h GLN 490 Cb 0.35 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 1fwm h GLN 490 CO -0.24 0.72 -0.09 1.96 -1.93 0.00 0.00 178.83 179.26 1fwm h GLN 491 N 0.57 0.00 -0.25 1.69 1.08 -0.85 -3.10 115.11 114.26 1fwm h GLN 491 Ca 0.13 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.28 1fwm h GLN 491 Cb 0.35 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 1fwm h GLN 491 CO 0.00 0.09 -0.03 0.00 -0.95 0.00 0.00 178.83 177.94 1fwm n ASP 493 N -0.86 -3.46 -4.29 0.00 8.00 -0.55 -4.97 116.55 110.42 1fwm n ASP 493 Ca 0.24 -1.31 -0.16 0.00 0.71 0.00 0.00 54.79 54.28 1fwm n ASP 493 Cb 0.90 -1.63 -0.10 0.00 -0.02 0.00 0.00 41.12 40.26 1fwm n ASP 493 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1fwm s LEU 494 N -7.48 2.28 0.41 0.64 1.43 -0.21 -5.05 118.68 110.70 1fwm s LEU 494 Ca 0.43 -1.15 -0.06 0.00 -1.03 0.00 0.00 54.13 52.32 1fwm s LEU 494 Cb -0.24 -0.26 -0.05 0.00 0.03 0.00 0.00 46.19 45.67 1fwm s LEU 494 CO 0.98 -0.46 0.72 -0.70 0.23 0.00 0.00 176.35 177.11 1fwm s GLU 495 N -3.83 3.63 0.18 1.70 2.56 0.11 -4.48 118.70 118.56 1fwm s GLU 495 Ca 0.24 0.20 -0.25 0.00 0.00 0.00 0.00 54.97 55.16 1fwm s GLU 495 Cb 0.05 -2.46 -0.08 0.00 2.00 0.00 0.00 34.13 33.64 1fwm s GLU 495 CO 0.06 -0.04 0.78 0.14 -0.56 0.00 0.00 175.26 175.63 1fwm s VAL 496 N -2.47 4.37 0.00 3.70 -7.23 -1.26 0.45 120.40 117.95 1fwm s VAL 496 Ca 0.47 1.69 0.00 0.00 -1.81 0.00 0.00 61.98 62.33 1fwm s VAL 496 Cb -0.10 -4.12 0.00 0.00 0.56 0.00 0.00 36.38 32.72 1fwm s VAL 496 CO 0.37 0.49 0.00 0.61 -0.31 0.00 0.00 175.10 176.26 1fwm n GLY 497 N 1.49 1.17 3.77 2.32 0.00 0.90 -4.59 105.19 110.25 1fwm n GLY 497 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1fwm n GLY 497 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fwm s ASP 498 N 0.06 5.44 -0.30 1.61 1.01 -1.26 -1.44 116.67 121.80 1fwm s ASP 498 Ca 0.00 -0.08 -0.01 0.00 0.71 0.00 0.00 52.55 53.17 1fwm s ASP 498 Cb 0.00 -1.42 0.05 0.00 1.01 0.00 0.00 42.92 42.56 1fwm s ASP 498 CO 0.00 0.13 -0.01 0.12 0.21 0.00 0.00 175.17 175.63 1fwm s PHE 499 N -1.52 3.29 -0.19 4.23 5.36 0.54 -1.57 117.98 128.13 1fwm s PHE 499 Ca 0.29 -1.98 -0.13 0.00 -0.96 0.00 0.00 56.93 54.15 1fwm s PHE 499 Cb -0.11 -2.15 -0.05 0.00 -0.34 0.00 0.00 43.02 40.37 1fwm s PHE 499 CO 0.22 -0.82 0.26 0.08 -1.46 0.00 0.00 175.22 173.50 1fwm s VAL 500 N 1.22 5.31 -0.16 3.12 1.01 -0.09 -0.92 120.40 129.89 1fwm s VAL 500 Ca -0.05 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.36 1fwm s VAL 500 Cb -0.20 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1fwm s VAL 500 CO -0.02 0.36 -0.08 0.86 0.00 0.00 0.00 175.10 176.22 1fwm s TRP 501 N 0.74 2.92 -0.12 5.22 -0.00 0.11 -1.47 118.94 126.34 1fwm s TRP 501 Ca 0.14 -0.58 0.02 0.00 -0.00 0.00 0.00 56.10 55.68 1fwm s TRP 501 Cb -0.13 -1.94 0.01 0.00 -0.00 0.00 0.00 33.47 31.41 1fwm s TRP 501 CO 0.04 -0.22 -0.18 0.99 -0.00 0.00 0.00 176.95 177.58 1fwm s THR 502 N 0.59 1.71 0.13 5.86 2.01 0.01 -0.52 115.64 125.42 1fwm s THR 502 Ca -0.05 -0.77 0.06 0.00 0.31 0.00 0.00 61.69 61.24 1fwm s THR 502 Cb -0.15 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 1fwm s THR 502 CO 0.03 0.48 -0.03 -0.83 -0.69 0.00 0.00 174.62 173.58 1fwm s GLY 503 N 0.89 1.81 0.00 4.40 0.00 0.18 -0.51 107.32 114.08 1fwm s GLY 503 Ca -0.08 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.39 1fwm s GLY 503 CO -0.01 -1.25 0.00 0.61 0.00 0.00 0.00 173.10 172.45 1fwm n GLY 504 N 0.32 0.33 3.55 0.20 0.00 -0.38 -1.98 105.19 107.23 1fwm n GLY 504 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1fwm n GLY 504 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fwm s ASP 505 N -0.87 5.21 -0.36 1.61 -1.08 0.03 -1.29 116.67 119.92 1fwm s ASP 505 Ca 0.00 0.31 -0.10 0.00 -0.52 0.00 0.00 52.55 52.23 1fwm s ASP 505 Cb 0.00 -2.53 0.02 0.00 -1.46 0.00 0.00 42.92 38.95 1fwm s ASP 505 CO 0.00 -2.44 0.18 -0.89 0.52 0.00 0.00 175.17 172.55 1fwm s THR 506 N 9.34 4.48 0.29 1.71 2.01 -0.59 -1.01 115.64 131.86 1fwm s THR 506 Ca 0.69 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 61.92 1fwm s THR 506 Cb -0.12 -3.46 -0.06 0.00 0.01 0.00 0.00 72.50 68.86 1fwm s THR 506 CO 0.19 -0.17 0.01 -1.38 -0.69 0.00 0.00 174.62 172.58 1fwm s HIS 507 N 1.54 1.86 -0.10 4.92 -3.43 -0.25 -2.00 115.29 117.83 1fwm s HIS 507 Ca 0.02 -0.87 0.00 0.00 -0.80 0.00 0.00 55.06 53.41 1fwm s HIS 507 Cb -0.19 -1.14 0.02 0.00 -1.43 0.00 0.00 32.58 29.85 1fwm s HIS 507 CO 0.06 0.08 -0.09 -1.17 -2.00 0.00 0.00 174.74 171.62 1fwm s LEU 508 N -3.43 1.33 0.47 5.38 2.96 -0.41 -0.15 118.68 124.83 1fwm s LEU 508 Ca 0.32 -0.32 -0.22 0.00 -0.22 0.00 0.00 54.13 53.70 1fwm s LEU 508 Cb 0.06 -0.86 -0.07 0.00 0.50 0.00 0.00 46.19 45.82 1fwm s LEU 508 CO 0.13 -0.08 1.13 -0.31 -1.32 0.00 0.00 176.35 175.90 1fwm s TYR 509 N 1.44 2.89 0.29 5.38 2.02 -1.26 -0.97 117.35 127.14 1fwm s TYR 509 Ca 0.00 1.55 0.04 0.00 -0.37 0.00 0.00 57.07 58.30 1fwm s TYR 509 Cb -0.13 -3.30 0.69 0.00 -0.40 0.00 0.00 41.96 38.82 1fwm s TYR 509 CO -0.06 -1.36 1.77 0.77 -1.57 0.00 0.00 175.55 175.10 1fwm h SER 510 N 1.86 0.69 -0.20 2.29 0.02 -1.55 -1.47 113.55 115.20 1fwm h SER 510 Ca -0.49 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.52 1fwm h SER 510 Cb 1.24 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 1fwm h SER 510 CO 0.60 0.24 0.05 -0.46 -1.14 0.00 0.00 176.83 176.11 1fwm n ASN 511 N -4.81 2.60 0.00 3.07 6.94 -1.26 -3.45 115.26 118.35 1fwm n ASN 511 Ca 0.22 -2.32 0.00 0.00 -0.02 0.00 0.00 54.58 52.45 1fwm n ASN 511 Cb 0.55 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 1fwm n ASN 511 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1fwm n HIS 512 N 0.15 0.00 0.03 -2.53 8.25 -0.55 -4.75 115.22 115.81 1fwm n HIS 512 Ca 0.10 -0.05 -0.11 0.00 -0.26 0.00 0.00 57.72 57.41 1fwm n HIS 512 Cb 0.61 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.67 1fwm n HIS 512 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1fwm h MET 513 N 0.00 -0.35 -0.15 -0.41 2.86 -1.67 -0.74 114.93 114.46 1fwm h MET 513 Ca 0.00 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1fwm h MET 513 Cb 0.07 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 1fwm h MET 513 CO 0.00 -0.24 -0.09 -0.44 1.06 0.00 0.00 176.91 177.20 1fwm h ASP 514 N -0.37 -0.30 -0.65 1.22 3.32 -1.88 -0.32 116.42 117.44 1fwm h ASP 514 Ca 0.08 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1fwm h ASP 514 Cb 0.49 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1fwm h ASP 514 CO -0.28 -0.12 0.36 1.56 -1.72 0.00 0.00 179.24 179.04 1fwm h GLN 515 N -0.09 0.93 -0.42 3.56 7.50 -1.85 -1.05 115.11 123.69 1fwm h GLN 515 Ca 0.09 -0.10 -0.07 0.00 0.50 0.00 0.00 58.65 59.07 1fwm h GLN 515 Cb 0.22 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 27.55 1fwm h GLN 515 CO -0.21 0.68 -0.00 1.15 -1.50 0.00 0.00 178.83 178.95 1fwm h THR 516 N 0.93 1.26 -0.70 -0.54 2.02 -0.52 -0.36 112.91 115.01 1fwm h THR 516 Ca 0.24 -1.02 -0.05 0.00 0.77 0.00 0.00 66.41 66.34 1fwm h THR 516 Cb 0.03 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1fwm h THR 516 CO -0.04 0.35 0.22 0.45 0.37 0.00 0.00 175.52 176.87 1fwm h HIS 517 N 0.57 1.12 -0.23 3.16 3.86 -0.69 0.14 115.15 123.09 1fwm h HIS 517 Ca 0.12 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1fwm h HIS 517 Cb 0.49 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1fwm h HIS 517 CO 0.04 0.89 0.12 1.25 0.86 0.00 0.00 177.93 181.09 1fwm h LEU 518 N 1.02 0.29 -1.11 2.43 5.85 -0.95 -2.83 115.31 120.00 1fwm h LEU 518 Ca 0.23 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 1fwm h LEU 518 Cb 0.30 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1fwm h LEU 518 CO -0.01 0.31 -0.20 -0.61 -0.34 0.00 0.00 178.44 177.60 1fwm h GLN 519 N 0.24 0.39 0.00 1.25 4.15 -0.82 -2.93 115.11 117.39 1fwm h GLN 519 Ca 0.08 -0.12 -0.05 0.00 0.77 0.00 0.00 58.65 59.33 1fwm h GLN 519 Cb 0.09 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1fwm h GLN 519 CO -0.01 0.58 -0.22 -0.07 -1.93 0.00 0.00 178.83 177.17 1fwm h LEU 520 N 0.36 0.00 -0.94 -2.39 4.07 -0.74 -2.79 115.31 112.87 1fwm h LEU 520 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1fwm h LEU 520 Cb 0.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.29 1fwm h LEU 520 CO 0.04 0.22 0.00 -1.54 -1.08 0.00 0.00 178.44 176.08 1fwm n SER 521 N -3.80 1.37 -4.81 -0.43 3.41 -1.10 -4.86 113.62 103.40 1fwm n SER 521 Ca -0.02 -1.99 -0.30 0.00 -0.26 0.00 0.00 58.87 56.30 1fwm n SER 521 Cb 0.32 -0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 64.05 1fwm n SER 521 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1fwm s ARG 522 N -1.66 3.00 -0.17 4.33 0.52 -1.06 -5.10 118.95 118.82 1fwm s ARG 522 Ca 0.18 -0.66 -0.15 0.00 -0.52 0.00 0.00 55.73 54.57 1fwm s ARG 522 Cb 0.09 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 1fwm s ARG 522 CO 0.12 0.56 0.37 -1.21 0.02 0.00 0.00 175.30 175.16 1fwm s GLU 523 N -2.51 4.24 0.61 3.54 0.41 -1.26 -5.02 118.70 118.71 1fwm s GLU 523 Ca 0.31 0.20 -0.19 0.00 -0.41 0.00 0.00 54.97 54.88 1fwm s GLU 523 Cb -0.12 -3.47 -0.03 0.00 -1.78 0.00 0.00 34.13 28.73 1fwm s GLU 523 CO 0.23 0.11 1.28 -1.25 -0.49 0.00 0.00 175.26 175.15 1fwm s PRO 524 N 0.83 2.78 0.20 0.39 0.04 -1.26 -4.83 135.00 133.16 1fwm s PRO 524 Ca 0.19 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.35 1fwm s PRO 524 Cb -0.14 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1fwm s PRO 524 CO 0.07 -1.41 -0.10 1.03 0.04 0.00 0.00 177.00 176.63 1fwm s ARG 525 N -3.27 2.02 0.21 4.56 0.52 -1.26 -5.06 118.95 116.67 1fwm s ARG 525 Ca 0.79 -1.35 -0.30 0.00 -0.52 0.00 0.00 55.73 54.36 1fwm s ARG 525 Cb -0.36 -2.11 -0.16 0.00 0.52 0.00 0.00 34.95 32.84 1fwm s ARG 525 CO 0.39 0.41 0.83 -0.35 0.02 0.00 0.00 175.30 176.60 1fwm n PRO 526 N -0.12 0.64 -2.20 3.54 -0.04 -1.26 -4.84 135.00 130.72 1fwm n PRO 526 Ca -0.10 0.23 -0.37 0.00 -0.04 0.00 0.00 63.50 63.22 1fwm n PRO 526 Cb 0.56 -1.47 -0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1fwm n PRO 526 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fwm s LEU 527 N 1.54 3.94 0.00 1.53 2.01 -1.26 -4.82 118.68 121.62 1fwm s LEU 527 Ca 0.66 2.33 0.00 0.00 0.01 0.00 0.00 54.13 57.13 1fwm s LEU 527 Cb -0.87 -4.32 0.00 0.00 0.01 0.00 0.00 46.19 41.01 1fwm s LEU 527 CO 0.57 -1.06 0.00 -0.81 1.01 0.00 0.00 176.35 176.06 1fwm n PRO 528 N -0.73 -0.22 -3.73 1.29 -0.04 -1.25 -4.75 135.00 125.58 1fwm n PRO 528 Ca 0.09 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.37 1fwm n PRO 528 Cb 0.48 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.77 1fwm n PRO 528 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1fwm s LYS 529 N -1.76 -0.01 0.05 0.54 2.47 0.80 -2.48 119.74 119.35 1fwm s LYS 529 Ca 0.00 0.28 -0.28 0.00 -1.56 0.00 0.00 55.97 54.41 1fwm s LYS 529 Cb 0.00 -0.43 -0.05 0.00 -1.46 0.00 0.00 37.83 35.89 1fwm s LYS 529 CO 0.00 -0.26 0.88 -1.17 0.16 0.00 0.00 175.35 174.96 1fwm s LEU 530 N 1.68 4.44 -0.07 5.43 1.98 -1.26 -0.69 118.68 130.19 1fwm s LEU 530 Ca -0.01 1.61 0.02 0.00 -2.89 0.00 0.00 54.13 52.85 1fwm s LEU 530 Cb -0.12 -3.43 0.01 0.00 0.66 0.00 0.00 46.19 43.31 1fwm s LEU 530 CO -0.03 -0.08 -0.12 -0.63 -1.89 0.00 0.00 176.35 173.60 1fwm s ILE 531 N 0.24 1.12 -0.33 6.68 1.01 0.10 -4.99 121.20 125.04 1fwm s ILE 531 Ca 0.44 -0.46 -0.09 0.00 0.00 0.00 0.00 60.65 60.55 1fwm s ILE 531 Cb -0.21 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.23 1fwm s ILE 531 CO 0.26 0.36 0.15 -0.63 0.00 0.00 0.00 174.94 175.08 1fwm s ILE 532 N 0.81 4.35 0.19 2.92 1.09 -1.26 -0.54 121.20 128.76 1fwm s ILE 532 Ca -0.12 -0.71 -0.11 0.00 -1.10 0.00 0.00 60.65 58.61 1fwm s ILE 532 Cb -0.15 -3.33 0.11 0.00 -1.06 0.00 0.00 42.46 38.03 1fwm s ILE 532 CO 0.02 -0.06 1.77 0.11 -0.10 0.00 0.00 174.94 176.68 1fwm h LYS 533 N 8.34 0.96 -4.38 2.79 1.57 -0.73 -3.45 116.57 121.66 1fwm h LYS 533 Ca -0.29 -0.14 -0.20 0.00 -1.87 0.00 0.00 60.65 58.15 1fwm h LYS 533 Cb 1.12 -0.17 -0.18 0.00 0.08 0.00 0.00 32.23 33.08 1fwm h LYS 533 CO 0.63 0.76 -0.71 -0.98 -0.57 0.00 0.00 179.45 178.59 1fwm s ARG 534 N -5.69 0.57 -0.46 3.15 1.70 -1.26 -5.12 118.95 111.84 1fwm s ARG 534 Ca -0.13 -0.96 -0.14 0.00 -0.47 0.00 0.00 55.73 54.03 1fwm s ARG 534 Cb 0.14 -0.07 0.07 0.00 -0.57 0.00 0.00 34.95 34.52 1fwm s ARG 534 CO 0.80 -0.02 0.37 0.21 -1.08 0.00 0.00 175.30 175.57 1fwm s LYS 535 N -2.60 2.90 0.82 3.89 2.20 -1.26 -5.02 119.74 120.67 1fwm s LYS 535 Ca -0.02 -1.37 -0.11 0.00 -0.36 0.00 0.00 55.97 54.10 1fwm s LYS 535 Cb -0.02 -4.06 0.08 0.00 -1.51 0.00 0.00 37.83 32.32 1fwm s LYS 535 CO -0.03 -1.01 1.09 -1.25 -0.36 0.00 0.00 175.35 173.79 1fwm s PRO 536 N 1.60 1.88 0.00 4.03 0.04 -1.26 -4.93 135.00 136.36 1fwm s PRO 536 Ca 0.04 0.77 0.13 0.00 0.04 0.00 0.00 61.00 61.98 1fwm s PRO 536 Cb -0.24 -1.89 0.66 0.00 0.04 0.00 0.00 34.50 33.08 1fwm s PRO 536 CO 0.06 -1.79 1.35 -1.91 0.04 0.00 0.00 177.00 174.74 1fwm n GLU 537 N -3.57 0.18 -3.80 4.56 2.13 -1.26 -4.82 120.64 114.05 1fwm n GLU 537 Ca 0.07 0.17 -0.05 0.00 0.66 0.00 0.00 57.16 58.01 1fwm n GLU 537 Cb 0.55 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.75 1fwm n GLU 537 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1fwm s SER 538 N -2.60 -0.20 0.20 4.31 1.04 -1.26 -5.01 113.70 110.18 1fwm s SER 538 Ca 0.12 -0.52 0.23 0.00 0.48 0.00 0.00 55.95 56.27 1fwm s SER 538 Cb 0.09 0.60 0.91 0.00 0.10 0.00 0.00 66.02 67.72 1fwm s SER 538 CO 0.20 -1.11 1.71 0.00 0.98 0.00 0.00 173.24 175.02 1fwm n ILE 539 N -0.47 0.75 0.61 -1.02 0.13 -1.26 -2.71 119.36 115.38 1fwm n ILE 539 Ca -0.05 0.11 0.12 0.00 -1.10 0.00 0.00 62.75 61.82 1fwm n ILE 539 Cb 0.60 -0.98 0.24 0.00 -0.84 0.00 0.00 39.64 38.66 1fwm n ILE 539 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 1fwm n PHE 540 N -2.11 0.37 -0.02 9.51 3.72 -1.26 -4.38 117.46 123.29 1fwm n PHE 540 Ca 0.03 -0.18 0.07 0.00 -0.05 0.00 0.00 57.45 57.32 1fwm n PHE 540 Cb 0.27 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 38.97 1fwm n PHE 540 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1fwm n ASP 541 N 1.23 2.94 -4.77 4.37 8.00 -1.10 -4.98 116.55 122.24 1fwm n ASP 541 Ca 0.18 -1.90 -0.32 0.00 0.71 0.00 0.00 54.79 53.46 1fwm n ASP 541 Cb 0.55 -0.22 0.06 0.00 -0.02 0.00 0.00 41.12 41.49 1fwm n ASP 541 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1fwm s TYR 542 N -1.05 2.62 0.09 1.24 1.51 -1.26 -4.91 117.35 115.59 1fwm s TYR 542 Ca 0.26 1.55 0.01 0.00 -1.01 0.00 0.00 57.07 57.88 1fwm s TYR 542 Cb 0.15 -3.12 -0.04 0.00 -0.11 0.00 0.00 41.96 38.83 1fwm s TYR 542 CO 0.20 -1.71 -0.06 1.03 -1.11 0.00 0.00 175.55 173.90 1fwm s ARG 543 N -4.39 0.79 0.38 -0.62 3.00 -1.26 -5.04 118.95 111.80 1fwm s ARG 543 Ca 0.65 -1.31 0.13 0.00 0.00 0.00 0.00 55.73 55.19 1fwm s ARG 543 Cb -0.19 -0.10 0.94 0.00 0.00 0.00 0.00 34.95 35.59 1fwm s ARG 543 CO 0.47 -0.04 1.84 0.35 0.00 0.00 0.00 175.30 177.91 1fwm h PHE 544 N 3.00 0.74 0.00 -0.53 3.57 -1.97 -1.11 116.94 120.65 1fwm h PHE 544 Ca -0.35 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.14 1fwm h PHE 544 Cb 1.16 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 1fwm h PHE 544 CO 0.57 0.21 -0.13 0.93 -2.23 0.00 0.00 178.31 177.66 1fwm h GLU 545 N 0.56 0.00 0.00 1.11 3.07 -2.03 -2.94 114.58 114.36 1fwm h GLU 545 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1fwm h GLU 545 Cb 1.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1fwm h GLU 545 CO -0.23 0.13 0.00 -0.44 -1.40 0.00 0.00 179.01 177.07 1fwm h ASP 546 N 0.00 0.00 -2.84 1.42 3.32 -1.59 -3.44 116.42 113.29 1fwm h ASP 546 Ca -0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 1fwm h ASP 546 Cb 0.38 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.86 1fwm h ASP 546 CO 0.02 0.00 -0.51 -0.36 -1.72 0.00 0.00 179.24 176.66 1fwm s PHE 547 N -3.74 3.49 -0.08 4.55 0.08 -1.11 0.01 117.98 121.19 1fwm s PHE 547 Ca 0.00 0.38 -0.03 0.00 0.12 0.00 0.00 56.93 57.40 1fwm s PHE 547 Cb 0.10 -1.85 0.04 0.00 -0.57 0.00 0.00 43.02 40.74 1fwm s PHE 547 CO 0.50 0.65 0.15 -2.00 -0.10 0.00 0.00 175.22 174.42 1fwm s GLU 548 N -1.49 0.04 0.05 0.44 2.56 0.30 -4.94 118.70 115.67 1fwm s GLU 548 Ca 0.21 0.49 -0.05 0.00 0.00 0.00 0.00 54.97 55.62 1fwm s GLU 548 Cb -0.12 -0.25 -0.05 0.00 2.00 0.00 0.00 34.13 35.71 1fwm s GLU 548 CO 0.11 -0.26 0.29 -1.50 -0.56 0.00 0.00 175.26 173.34 1fwm s ILE 549 N 1.93 5.28 -0.01 -3.70 2.07 -1.26 0.01 121.20 125.52 1fwm s ILE 549 Ca -0.01 0.06 0.01 0.00 -1.41 0.00 0.00 60.65 59.30 1fwm s ILE 549 Cb -0.12 -3.59 0.01 0.00 0.13 0.00 0.00 42.46 38.89 1fwm s ILE 549 CO -0.06 0.25 -0.02 -0.70 -1.91 0.00 0.00 174.94 172.50 1fwm s GLU 550 N -2.09 0.29 -0.22 3.50 2.12 0.14 -4.84 118.70 117.61 1fwm s GLU 550 Ca 0.32 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.60 1fwm s GLU 550 Cb -0.13 -0.35 0.00 0.00 0.26 0.00 0.00 34.13 33.91 1fwm s GLU 550 CO 0.20 -0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.33 1fwm n GLY 551 N 3.41 0.30 3.43 -1.50 0.00 -1.26 -0.14 105.19 109.43 1fwm n GLY 551 Ca -0.18 -0.81 -0.44 0.00 0.00 0.00 0.00 46.02 44.60 1fwm n GLY 551 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1fwm s TYR 552 N -2.12 3.09 -0.57 1.61 5.04 -1.26 -4.27 117.35 118.86 1fwm s TYR 552 Ca 0.00 -0.62 0.04 0.00 -2.44 0.00 0.00 57.07 54.05 1fwm s TYR 552 Cb 0.00 -3.46 0.16 0.00 0.35 0.00 0.00 41.96 39.01 1fwm s TYR 552 CO 0.00 -0.98 0.38 0.34 -1.34 0.00 0.00 175.55 173.94 1fwm s ASP 553 N 2.67 3.96 0.52 4.32 2.15 -1.26 -5.09 116.67 123.93 1fwm s ASP 553 Ca 0.13 -3.33 -0.05 0.00 0.43 0.00 0.00 52.55 49.72 1fwm s ASP 553 Cb -0.20 -1.32 -0.02 0.00 -0.30 0.00 0.00 42.92 41.08 1fwm s ASP 553 CO 0.11 -0.16 0.82 -2.16 -0.17 0.00 0.00 175.17 173.61 1fwm s PRO 554 N -0.64 3.29 0.81 4.34 0.04 -1.26 -4.91 135.00 136.66 1fwm s PRO 554 Ca 0.23 0.08 -0.11 0.00 0.04 0.00 0.00 61.00 61.24 1fwm s PRO 554 Cb -0.11 -2.35 0.08 0.00 0.04 0.00 0.00 34.50 32.16 1fwm s PRO 554 CO -0.11 -0.39 1.09 -1.01 0.04 0.00 0.00 177.00 176.62 1fwm s HIS 555 N -2.82 2.64 0.63 0.56 3.76 -0.07 -4.82 115.29 115.17 1fwm s HIS 555 Ca 0.50 1.31 -0.18 0.00 -0.15 0.00 0.00 55.06 56.54 1fwm s HIS 555 Cb -0.10 -3.08 -0.04 0.00 1.11 0.00 0.00 32.58 30.47 1fwm s HIS 555 CO 0.45 -1.91 1.02 -0.35 -0.85 0.00 0.00 174.74 173.09 1fwm n PRO 556 N -3.56 0.89 -1.06 8.40 -0.04 -1.26 -1.42 135.00 136.94 1fwm n PRO 556 Ca 0.08 0.35 -0.32 0.00 -0.04 0.00 0.00 63.50 63.56 1fwm n PRO 556 Cb 0.55 -2.24 0.13 0.00 -0.04 0.00 0.00 33.50 31.89 1fwm n PRO 556 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1fwm s GLY 557 N -1.32 1.91 -0.20 0.55 0.00 -1.26 -3.67 107.32 103.33 1fwm s GLY 557 Ca 0.78 0.63 0.01 0.00 0.00 0.00 0.00 44.72 46.13 1fwm s GLY 557 CO 0.45 1.03 -0.10 -0.42 0.00 0.00 0.00 173.10 174.07 1fwm s ILE 558 N -2.47 1.61 0.18 0.90 1.01 -1.26 -4.85 121.20 116.32 1fwm s ILE 558 Ca 0.68 -1.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.02 1fwm s ILE 558 Cb -0.24 -1.71 -0.08 0.00 0.01 0.00 0.00 42.46 40.45 1fwm s ILE 558 CO 0.53 0.14 1.10 -0.54 0.00 0.00 0.00 174.94 176.17 1fwm s LYS 559 N 1.40 4.60 -0.15 2.79 -0.14 -1.26 -5.04 119.74 121.94 1fwm s LYS 559 Ca -0.02 1.72 -0.11 0.00 -1.36 0.00 0.00 55.97 56.21 1fwm s LYS 559 Cb -0.16 -3.27 0.05 0.00 -1.68 0.00 0.00 37.83 32.76 1fwm s LYS 559 CO -0.08 0.09 0.38 0.00 -0.76 0.00 0.00 175.35 174.97 1fwm s ALA 560 N -0.30 -0.94 0.41 5.17 0.00 -1.26 -4.96 121.76 119.87 1fwm s ALA 560 Ca 0.49 1.24 -0.26 0.00 0.00 0.00 0.00 51.96 53.43 1fwm s ALA 560 Cb -0.30 -0.74 -0.08 0.00 0.00 0.00 0.00 23.12 22.00 1fwm s ALA 560 CO 0.35 -0.21 1.29 -1.25 0.00 0.00 0.00 175.76 175.93 1fwm s PRO 561 N 0.77 3.94 -0.04 0.00 0.04 -1.26 -5.01 135.00 133.43 1fwm s PRO 561 Ca -0.05 2.12 -0.15 0.00 0.04 0.00 0.00 61.00 62.96 1fwm s PRO 561 Cb -0.06 -2.72 -0.05 0.00 0.04 0.00 0.00 34.50 31.71 1fwm s PRO 561 CO -0.05 -0.50 0.38 0.54 0.04 0.00 0.00 177.00 177.41 1fwm s VAL 562 N -1.29 5.12 -0.50 -0.36 0.11 -1.26 -4.99 120.40 117.23 1fwm s VAL 562 Ca 0.57 0.77 -0.25 0.00 -2.93 0.00 0.00 61.98 60.14 1fwm s VAL 562 Cb -0.37 -3.69 0.03 0.00 -1.53 0.00 0.00 36.38 30.82 1fwm s VAL 562 CO 0.47 0.53 0.96 0.00 -3.33 0.00 0.00 175.10 173.73 1fwm s ALA 563 N -0.66 3.19 -1.09 1.54 0.00 -1.26 -5.23 121.76 118.25 1fwm s ALA 563 Ca 0.22 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.37 1fwm s ALA 563 Cb -0.16 -3.71 0.07 0.00 0.00 0.00 0.00 23.12 19.32 1fwm s ALA 563 CO 0.11 -2.21 0.78 -0.89 0.00 0.00 0.00 175.76 173.54