#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qxs h ALA 307 N 0.00 1.28 0.00 1.96 0.00 -1.98 -1.49 119.26 119.02 2qxs h ALA 307 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qxs h ALA 307 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2qxs h ALA 307 CO 0.00 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.80 2qxs n LEU 308 N -4.62 0.00 0.01 0.00 4.77 -1.26 -2.70 117.00 113.20 2qxs n LEU 308 Ca 0.14 0.41 0.11 0.00 -0.03 0.00 0.00 56.01 56.64 2qxs n LEU 308 Cb 0.23 -0.41 0.05 0.00 -2.33 0.00 0.00 43.42 40.96 2qxs n LEU 308 CO 0.30 -0.08 0.10 -1.20 -1.33 0.00 0.00 177.39 175.18 2qxs n SER 309 N -1.41 0.66 -4.77 -1.43 7.64 -0.56 -4.97 113.62 108.78 2qxs n SER 309 Ca 0.08 -0.37 -0.41 0.00 1.01 0.00 0.00 58.87 59.18 2qxs n SER 309 Cb 0.23 0.70 -0.01 0.00 -1.01 0.00 0.00 64.21 64.12 2qxs n SER 309 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qxs s LEU 310 N -3.51 4.36 0.84 -3.43 1.43 -1.10 -5.02 118.68 112.25 2qxs s LEU 310 Ca 0.06 2.88 -0.12 0.00 -1.03 0.00 0.00 54.13 55.93 2qxs s LEU 310 Cb 0.15 -3.65 0.10 0.00 0.03 0.00 0.00 46.19 42.82 2qxs s LEU 310 CO 0.79 -0.74 1.12 0.42 0.23 0.00 0.00 176.35 178.16 2qxs s THR 311 N -0.93 2.55 0.22 5.49 -4.23 -1.26 -4.85 115.64 112.63 2qxs s THR 311 Ca 0.53 0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 61.14 2qxs s THR 311 Cb -0.44 -2.97 0.18 0.00 1.34 0.00 0.00 72.50 70.62 2qxs s THR 311 CO 0.57 -0.23 1.85 0.00 -0.54 0.00 0.00 174.62 176.26 2qxs h ALA 312 N -1.23 1.04 -0.79 3.99 0.00 -1.93 -0.99 119.26 119.36 2qxs h ALA 312 Ca -0.48 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 2qxs h ALA 312 Cb 1.30 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 2qxs h ALA 312 CO 0.61 0.23 0.33 0.22 0.00 0.00 0.00 179.25 180.64 2qxs h ASP 313 N 0.90 1.08 -0.18 0.00 3.58 -1.95 -1.70 116.42 118.14 2qxs h ASP 313 Ca 0.33 -0.16 -0.10 0.00 0.42 0.00 0.00 57.03 57.53 2qxs h ASP 313 Cb 0.11 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 2qxs h ASP 313 CO -0.15 0.94 -0.20 1.56 -2.88 0.00 0.00 179.24 178.51 2qxs h GLN 314 N 1.15 0.62 0.03 0.28 4.20 -1.78 -1.64 115.11 117.96 2qxs h GLN 314 Ca 0.27 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2qxs h GLN 314 Cb 0.19 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2qxs h GLN 314 CO -0.02 0.78 -0.02 1.98 -0.67 0.00 0.00 178.83 180.88 2qxs h MET 315 N 0.55 -0.04 -0.23 1.46 4.05 -0.78 -0.66 114.93 119.28 2qxs h MET 315 Ca 0.09 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.55 2qxs h MET 315 Cb 0.65 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.41 2qxs h MET 315 CO 0.05 0.14 -0.04 0.28 0.23 0.00 0.00 176.91 177.56 2qxs h VAL 316 N -0.22 0.78 -0.60 -5.77 2.07 -1.16 -0.90 116.25 110.46 2qxs h VAL 316 Ca -0.00 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2qxs h VAL 316 Cb 0.20 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 2qxs h VAL 316 CO 0.01 0.00 0.38 -1.28 0.02 0.00 0.00 177.57 176.70 2qxs h SER 317 N 0.02 0.64 -0.46 0.57 0.87 -1.20 0.00 113.55 113.98 2qxs h SER 317 Ca 0.11 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2qxs h SER 317 Cb 0.16 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 2qxs h SER 317 CO -0.23 0.45 0.30 0.00 -0.53 0.00 0.00 176.83 176.83 2qxs h ALA 318 N 1.25 0.58 -0.47 6.23 0.00 -0.53 -1.25 119.26 125.07 2qxs h ALA 318 Ca 0.23 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2qxs h ALA 318 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2qxs h ALA 318 CO -0.08 0.03 -0.08 -0.07 0.00 0.00 0.00 179.25 179.05 2qxs h LEU 319 N 0.62 0.88 -0.78 0.00 3.38 -0.72 -1.71 115.31 116.98 2qxs h LEU 319 Ca 0.17 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 2qxs h LEU 319 Cb -0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 2qxs h LEU 319 CO -0.04 1.02 0.05 -0.07 0.09 0.00 0.00 178.44 179.50 2qxs h LEU 320 N 0.73 0.94 -1.50 1.67 3.38 -0.85 -2.51 115.31 117.17 2qxs h LEU 320 Ca 0.12 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2qxs h LEU 320 Cb 0.62 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2qxs h LEU 320 CO 0.04 0.97 -0.13 0.44 0.09 0.00 0.00 178.44 179.85 2qxs h ASP 321 N 0.91 0.15 1.09 -0.43 3.32 -1.03 -2.82 116.42 117.62 2qxs h ASP 321 Ca 0.18 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2qxs h ASP 321 Cb 0.46 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2qxs h ASP 321 CO 0.02 0.30 0.00 0.00 -1.72 0.00 0.00 179.24 177.84 2qxs n ALA 322 N -2.50 2.30 -1.71 3.45 0.00 -0.66 -4.94 120.51 116.45 2qxs n ALA 322 Ca -0.01 -0.08 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 2qxs n ALA 322 Cb 0.25 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 2qxs n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qxs n GLU 323 N -1.67 2.33 -1.60 0.00 -0.58 -1.07 -4.52 120.64 113.52 2qxs n GLU 323 Ca 0.07 0.82 -0.31 0.00 -0.42 0.00 0.00 57.16 57.32 2qxs n GLU 323 Cb 0.36 -2.51 0.06 0.00 -0.57 0.00 0.00 31.44 28.78 2qxs n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2qxs s PRO 324 N -0.99 2.71 0.78 3.49 0.04 -1.26 -5.04 135.00 134.72 2qxs s PRO 324 Ca 0.62 0.81 -0.11 0.00 0.04 0.00 0.00 61.00 62.37 2qxs s PRO 324 Cb -0.56 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.06 2qxs s PRO 324 CO 0.54 -1.23 1.08 -1.25 0.04 0.00 0.00 177.00 176.19 2qxs s PRO 325 N -5.11 2.24 -0.31 0.56 0.04 -1.26 -5.02 135.00 126.15 2qxs s PRO 325 Ca 0.59 1.01 -0.22 0.00 0.04 0.00 0.00 61.00 62.42 2qxs s PRO 325 Cb -0.14 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.49 2qxs s PRO 325 CO 0.55 -1.61 0.71 0.42 0.04 0.00 0.00 177.00 177.11 2qxs s ILE 326 N -2.97 4.86 0.41 0.56 1.01 -1.26 -5.06 121.20 118.76 2qxs s ILE 326 Ca 0.61 1.02 -0.05 0.00 0.00 0.00 0.00 60.65 62.23 2qxs s ILE 326 Cb -0.16 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 2qxs s ILE 326 CO 0.56 -0.20 0.71 -0.76 0.00 0.00 0.00 174.94 175.25 2qxs s LEU 327 N 2.78 3.80 0.28 2.97 1.43 -1.26 -5.02 118.68 123.65 2qxs s LEU 327 Ca 0.29 0.85 0.08 0.00 -1.03 0.00 0.00 54.13 54.32 2qxs s LEU 327 Cb -0.15 -3.76 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 2qxs s LEU 327 CO 0.12 -0.44 0.12 -0.31 0.23 0.00 0.00 176.35 176.07 2qxs s TYR 328 N -2.50 2.88 0.75 0.29 1.51 -1.26 -4.33 117.35 114.70 2qxs s TYR 328 Ca 0.46 -0.20 -0.05 0.00 -1.01 0.00 0.00 57.07 56.27 2qxs s TYR 328 Cb -0.10 -1.38 0.12 0.00 -0.11 0.00 0.00 41.96 40.48 2qxs s TYR 328 CO 0.38 0.51 1.05 0.45 -1.11 0.00 0.00 175.55 176.83 2qxs s SER 329 N -3.79 4.29 0.71 2.29 0.15 -1.26 -4.94 113.70 111.14 2qxs s SER 329 Ca 0.34 -0.00 -0.02 0.00 0.70 0.00 0.00 55.95 56.97 2qxs s SER 329 Cb -0.06 -0.42 0.11 0.00 -1.71 0.00 0.00 66.02 63.94 2qxs s SER 329 CO 0.23 -1.92 0.98 -1.83 1.20 0.00 0.00 173.24 171.90 2qxs s GLU 330 N -5.29 1.77 0.00 5.44 -1.05 -1.26 -4.96 118.70 113.35 2qxs s GLU 330 Ca 0.66 -0.99 0.00 0.00 -0.15 0.00 0.00 54.97 54.49 2qxs s GLU 330 Cb -0.07 -2.32 0.00 0.00 -0.44 0.00 0.00 34.13 31.30 2qxs s GLU 330 CO 0.46 -1.38 0.00 0.66 0.95 0.00 0.00 175.26 175.94 2qxs n TYR 331 N -2.82 0.00 0.00 4.83 4.01 -1.26 -4.99 117.16 116.93 2qxs n TYR 331 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 2qxs n TYR 331 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 2qxs n TYR 331 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2qxs n ASP 332 N 0.00 0.00 -3.49 7.72 -0.08 -1.26 -5.12 116.55 114.32 2qxs n ASP 332 Ca 0.00 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.87 2qxs n ASP 332 Cb 0.00 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.37 2qxs n ASP 332 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2qxs n PRO 333 N 0.00 0.48 -1.30 -0.67 -0.04 -1.26 -5.08 135.00 127.14 2qxs n PRO 333 Ca 0.00 -1.21 0.16 0.00 -0.04 0.00 0.00 63.50 62.41 2qxs n PRO 333 Cb 0.00 -2.58 -0.08 0.00 -0.04 0.00 0.00 33.50 30.80 2qxs n PRO 333 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2qxs n ARG 335 N 7.39 -2.94 0.00 0.54 0.00 -1.26 -5.35 116.66 115.04 2qxs n ARG 335 Ca 0.44 2.35 0.00 0.00 -0.00 0.00 0.00 57.85 60.64 2qxs n ARG 335 Cb 0.38 -3.46 0.00 0.00 -0.00 0.00 0.00 32.46 29.38 2qxs n ARG 335 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2qxs n PRO 336 N -4.11 1.94 -3.64 2.89 -0.02 -1.26 -5.18 135.00 125.61 2qxs n PRO 336 Ca -0.07 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.34 2qxs n PRO 336 Cb 0.61 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 34.02 2qxs n PRO 336 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2qxs s PHE 337 N 0.00 -0.95 0.00 6.00 -0.71 -1.26 -4.96 117.98 116.10 2qxs s PHE 337 Ca 0.00 1.95 0.00 0.00 -1.04 0.00 0.00 56.93 57.84 2qxs s PHE 337 Cb 0.00 0.54 0.00 0.00 -1.21 0.00 0.00 43.02 42.35 2qxs s PHE 337 CO 0.00 -0.47 0.00 -1.13 -1.34 0.00 0.00 175.22 172.28 2qxs n SER 338 N 3.95 0.00 0.00 1.98 3.41 -1.26 -4.62 113.62 117.08 2qxs n SER 338 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 2qxs n SER 338 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2qxs n SER 338 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qxs n ALA 340 N -3.00 0.00 0.03 7.33 0.00 -1.26 -1.69 120.51 121.92 2qxs n ALA 340 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2qxs n ALA 340 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2qxs n ALA 340 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qxs h SER 341 N 0.00 -0.06 -0.30 0.00 0.87 -1.98 -1.45 113.55 110.64 2qxs h SER 341 Ca 0.00 -0.29 0.06 0.00 -1.23 0.00 0.00 61.79 60.32 2qxs h SER 341 Cb 0.00 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 61.92 2qxs h SER 341 CO 0.00 0.27 -0.03 -0.03 -0.53 0.00 0.00 176.83 176.50 2qxs h MET 342 N -0.39 0.05 -0.46 2.24 4.05 -1.58 -1.00 114.93 117.84 2qxs h MET 342 Ca -0.01 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 2qxs h MET 342 Cb 0.35 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.11 2qxs h MET 342 CO 0.01 0.03 0.18 0.52 0.23 0.00 0.00 176.91 177.88 2qxs h MET 343 N 0.05 0.66 -0.47 0.39 2.86 -1.81 -1.28 114.93 115.33 2qxs h MET 343 Ca 0.14 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 2qxs h MET 343 Cb 0.20 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 2qxs h MET 343 CO -0.27 0.55 0.20 0.78 1.06 0.00 0.00 176.91 179.23 2qxs h GLY 344 N 0.81 0.74 0.99 8.32 0.00 -0.70 -0.64 103.07 112.59 2qxs h GLY 344 Ca 0.16 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2qxs h GLY 344 CO -0.01 0.37 0.25 1.41 0.00 0.00 0.00 176.54 178.56 2qxs h LEU 345 N 0.61 0.82 -0.53 3.11 3.38 -0.70 -1.42 115.31 120.58 2qxs h LEU 345 Ca 0.16 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2qxs h LEU 345 Cb 0.17 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2qxs h LEU 345 CO -0.01 0.76 -0.22 -0.07 0.09 0.00 0.00 178.44 178.99 2qxs h LEU 346 N 0.83 0.99 -0.28 1.67 3.38 -1.09 -1.39 115.31 119.42 2qxs h LEU 346 Ca 0.20 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2qxs h LEU 346 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2qxs h LEU 346 CO -0.02 1.16 0.13 0.74 0.09 0.00 0.00 178.44 180.54 2qxs h THR 347 N 0.84 1.16 -0.64 0.22 2.02 -1.02 -0.49 112.91 115.00 2qxs h THR 347 Ca 0.11 -0.48 0.04 0.00 0.77 0.00 0.00 66.41 66.85 2qxs h THR 347 Cb 0.79 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 2qxs h THR 347 CO 0.07 0.17 0.38 -1.13 0.37 0.00 0.00 175.52 175.37 2qxs h ASN 348 N 0.32 0.60 0.17 4.18 -0.73 -1.10 -0.92 115.58 118.09 2qxs h ASN 348 Ca 0.10 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.27 2qxs h ASN 348 Cb 0.15 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.62 2qxs h ASN 348 CO -0.01 0.41 -0.08 0.25 -0.37 0.00 0.00 177.43 177.63 2qxs h LEU 349 N 0.73 -0.20 -0.74 0.34 5.85 -1.05 -2.52 115.31 117.73 2qxs h LEU 349 Ca 0.27 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.94 2qxs h LEU 349 Cb 0.07 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 2qxs h LEU 349 CO -0.13 0.00 0.42 0.00 -0.34 0.00 0.00 178.44 178.39 2qxs h ALA 350 N 0.41 1.01 -0.87 1.25 0.00 -0.94 0.08 119.26 120.21 2qxs h ALA 350 Ca -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2qxs h ALA 350 Cb 0.30 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2qxs h ALA 350 CO 0.04 0.09 0.46 -0.44 0.00 0.00 0.00 179.25 179.39 2qxs h ASP 351 N 0.75 1.10 0.06 0.00 3.32 -1.10 -1.14 116.42 119.40 2qxs h ASP 351 Ca 0.34 -0.11 -0.17 0.00 0.02 0.00 0.00 57.03 57.10 2qxs h ASP 351 Cb 0.24 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2qxs h ASP 351 CO -0.20 0.90 -0.62 0.03 -1.72 0.00 0.00 179.24 177.62 2qxs h ARG 352 N 1.22 0.55 -0.11 3.56 3.08 -0.96 -3.09 114.38 118.63 2qxs h ARG 352 Ca 0.30 -0.38 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 2qxs h ARG 352 Cb 0.06 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2qxs h ARG 352 CO -0.05 1.00 -0.20 0.93 -1.07 0.00 0.00 179.97 180.59 2qxs h GLU 353 N 0.41 0.18 -0.95 0.04 5.08 -0.47 -3.07 114.58 115.80 2qxs h GLU 353 Ca -0.01 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2qxs h GLU 353 Cb 1.18 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 2qxs h GLU 353 CO 0.12 0.38 0.63 1.25 -1.00 0.00 0.00 179.01 180.39 2qxs h LEU 354 N 0.17 1.09 -0.54 1.33 5.85 -1.14 0.72 115.31 122.79 2qxs h LEU 354 Ca 0.03 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2qxs h LEU 354 Cb 0.46 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2qxs h LEU 354 CO 0.03 0.79 0.35 0.58 -0.34 0.00 0.00 178.44 179.85 2qxs h VAL 355 N 1.29 1.12 0.00 1.05 2.07 -1.64 -1.46 116.25 118.68 2qxs h VAL 355 Ca 0.35 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.52 2qxs h VAL 355 Cb -0.15 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 2qxs h VAL 355 CO -0.08 0.13 -0.50 0.45 0.02 0.00 0.00 177.57 177.59 2qxs h HIS 356 N 0.71 0.00 -0.56 1.57 3.86 -1.45 -2.75 115.15 116.53 2qxs h HIS 356 Ca 0.20 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.34 2qxs h HIS 356 Cb -0.06 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 2qxs h HIS 356 CO -0.04 0.50 0.06 1.98 0.86 0.00 0.00 177.93 181.29 2qxs h MET 357 N 0.00 0.91 -0.44 2.45 -1.53 -0.03 -0.17 114.93 116.13 2qxs h MET 357 Ca -0.01 -0.23 -0.04 0.00 -3.44 0.00 0.00 59.70 55.98 2qxs h MET 357 Cb 0.90 -0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 31.82 2qxs h MET 357 CO 0.07 0.87 0.10 0.82 0.14 0.00 0.00 176.91 178.91 2qxs h ILE 358 N 0.86 1.23 -0.56 1.77 5.03 -1.02 0.24 117.51 125.06 2qxs h ILE 358 Ca 0.17 -0.81 0.04 0.00 -0.12 0.00 0.00 64.86 64.14 2qxs h ILE 358 Cb 0.42 0.93 -0.04 0.00 -3.03 0.00 0.00 36.82 35.09 2qxs h ILE 358 CO 0.01 0.29 0.31 0.78 -0.68 0.00 0.00 178.15 178.86 2qxs h ASN 359 N 0.57 0.47 -0.13 1.72 2.35 -1.24 -1.85 115.58 117.47 2qxs h ASN 359 Ca 0.14 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 2qxs h ASN 359 Cb 0.32 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2qxs h ASN 359 CO 0.00 0.32 0.06 -0.25 -1.65 0.00 0.00 177.43 175.91 2qxs h TRP 360 N 0.60 0.11 -0.85 1.19 7.01 -0.80 -3.03 115.95 120.18 2qxs h TRP 360 Ca 0.24 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.30 2qxs h TRP 360 Cb 0.10 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.07 2qxs h TRP 360 CO -0.08 0.06 0.53 0.00 -2.79 0.00 0.00 178.44 176.16 2qxs h ALA 361 N 1.06 1.16 0.00 2.65 0.00 -0.47 -0.29 119.26 123.37 2qxs h ALA 361 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qxs h ALA 361 Cb 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2qxs h ALA 361 CO -0.04 0.30 0.00 0.87 0.00 0.00 0.00 179.25 180.38 2qxs h LYS 362 N 0.99 0.00 -0.01 0.00 1.57 -1.24 -1.60 116.57 116.27 2qxs h LYS 362 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2qxs h LYS 362 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2qxs h LYS 362 CO -0.16 0.00 -0.44 0.54 -0.57 0.00 0.00 179.45 178.82 2qxs n ARG 363 N -2.54 1.15 -2.38 3.15 1.74 -0.15 -4.56 116.66 113.07 2qxs n ARG 363 Ca 0.00 -0.92 -0.43 0.00 -0.77 0.00 0.00 57.85 55.73 2qxs n ARG 363 Cb 0.17 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 2qxs n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qxs s VAL 364 N -2.48 4.20 0.06 1.55 1.01 -0.60 -4.82 120.40 119.32 2qxs s VAL 364 Ca 0.19 1.44 -0.36 0.00 0.00 0.00 0.00 61.98 63.25 2qxs s VAL 364 Cb 0.18 -3.97 -0.15 0.00 0.00 0.00 0.00 36.38 32.44 2qxs s VAL 364 CO 0.56 -0.17 1.49 -2.65 0.00 0.00 0.00 175.10 174.33 2qxs n PRO 365 N 6.75 1.52 0.00 2.72 -0.02 -1.26 -1.58 135.00 143.14 2qxs n PRO 365 Ca 0.14 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2qxs n PRO 365 Cb 0.45 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2qxs n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qxs n GLY 366 N 3.08 3.23 0.18 -1.23 0.00 -1.26 -4.93 105.19 104.26 2qxs n GLY 366 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 2qxs n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qxs h PHE 367 N 0.00 0.55 0.00 1.61 3.57 -1.57 -2.46 116.94 118.64 2qxs h PHE 367 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2qxs h PHE 367 Cb 0.00 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.57 2qxs h PHE 367 CO 0.00 0.45 0.00 1.33 -2.23 0.00 0.00 178.31 177.86 2qxs n VAL 368 N -4.71 0.19 0.24 1.41 0.24 -1.26 -2.12 118.33 112.32 2qxs n VAL 368 Ca -0.00 0.05 0.12 0.00 -2.04 0.00 0.00 64.34 62.47 2qxs n VAL 368 Cb 0.11 -0.62 0.57 0.00 -1.47 0.00 0.00 33.84 32.43 2qxs n VAL 368 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2qxs h ASP 369 N 0.00 0.00 -4.33 -1.34 3.32 -1.82 -3.45 116.42 108.80 2qxs h ASP 369 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 2qxs h ASP 369 Cb 0.27 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.92 2qxs h ASP 369 CO 0.00 0.16 0.36 -0.76 -1.72 0.00 0.00 179.24 177.28 2qxs s LEU 370 N -6.77 2.97 0.77 1.55 1.43 -0.90 -5.04 118.68 112.69 2qxs s LEU 370 Ca -0.00 1.51 -0.13 0.00 -1.03 0.00 0.00 54.13 54.48 2qxs s LEU 370 Cb 0.11 -4.32 0.06 0.00 0.03 0.00 0.00 46.19 42.07 2qxs s LEU 370 CO 0.60 -1.58 1.17 0.42 0.23 0.00 0.00 176.35 177.19 2qxs s THR 371 N -3.09 2.47 0.28 5.49 -4.23 -1.26 -4.80 115.64 110.49 2qxs s THR 371 Ca 0.59 0.20 -0.04 0.00 -1.18 0.00 0.00 61.69 61.26 2qxs s THR 371 Cb -0.14 -2.63 0.24 0.00 1.34 0.00 0.00 72.50 71.31 2qxs s THR 371 CO 0.55 -0.15 1.93 -0.07 -0.54 0.00 0.00 174.62 176.34 2qxs h LEU 372 N -0.70 1.01 -0.48 4.79 3.38 -1.96 -0.19 115.31 121.16 2qxs h LEU 372 Ca -0.46 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.53 2qxs h LEU 372 Cb 1.28 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 2qxs h LEU 372 CO 0.49 0.76 0.16 -0.74 0.09 0.00 0.00 178.44 179.19 2qxs h HIS 373 N 1.17 0.27 -0.14 1.13 2.76 -2.00 -0.69 115.15 117.66 2qxs h HIS 373 Ca 0.31 0.03 -0.17 0.00 -2.20 0.00 0.00 60.37 58.34 2qxs h HIS 373 Cb -0.08 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 2qxs h HIS 373 CO 0.00 0.08 -0.62 -0.44 -1.30 0.00 0.00 177.93 175.65 2qxs h ASP 374 N 0.32 0.56 -0.50 3.26 3.32 -1.80 -1.69 116.42 119.89 2qxs h ASP 374 Ca 0.23 -0.32 0.03 0.00 0.02 0.00 0.00 57.03 56.99 2qxs h ASP 374 Cb 0.26 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 2qxs h ASP 374 CO -0.25 1.04 0.28 1.56 -1.72 0.00 0.00 179.24 180.15 2qxs h GLN 375 N 0.36 0.54 -0.41 3.56 4.20 -0.73 -0.84 115.11 121.80 2qxs h GLN 375 Ca -0.01 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2qxs h GLN 375 Cb 1.18 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 2qxs h GLN 375 CO 0.11 0.36 0.26 0.28 -0.67 0.00 0.00 178.83 179.16 2qxs h VAL 376 N 0.55 1.12 -0.49 -0.54 2.07 -0.91 -2.12 116.25 115.93 2qxs h VAL 376 Ca 0.21 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2qxs h VAL 376 Cb 0.06 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2qxs h VAL 376 CO -0.11 0.12 0.31 -0.74 0.02 0.00 0.00 177.57 177.17 2qxs h HIS 377 N 0.54 0.64 -0.69 1.57 -0.00 -0.94 0.16 115.15 116.44 2qxs h HIS 377 Ca 0.15 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.53 2qxs h HIS 377 Cb -0.02 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.14 2qxs h HIS 377 CO -0.04 0.43 0.45 -0.07 -0.00 0.00 0.00 177.93 178.70 2qxs h LEU 378 N 0.66 0.80 -0.41 0.26 3.38 -0.94 -1.64 115.31 117.43 2qxs h LEU 378 Ca 0.18 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 2qxs h LEU 378 Cb -0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2qxs h LEU 378 CO -0.04 0.59 -0.39 -0.07 0.09 0.00 0.00 178.44 178.63 2qxs h LEU 379 N 0.94 0.98 -1.10 1.67 3.38 -0.82 -0.87 115.31 119.50 2qxs h LEU 379 Ca 0.25 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.84 2qxs h LEU 379 Cb -0.10 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.31 2qxs h LEU 379 CO -0.05 1.25 0.61 -0.33 0.09 0.00 0.00 178.44 180.00 2qxs h GLU 380 N 0.75 1.04 -0.03 1.13 5.08 -0.39 -1.04 114.58 121.12 2qxs h GLU 380 Ca 0.06 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 2qxs h GLU 380 Cb 0.98 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2qxs h GLU 380 CO 0.09 0.69 -0.83 0.00 -1.00 0.00 0.00 179.01 177.96 2qxs n ALA 382 N -2.50 3.71 -0.35 0.00 0.00 -0.35 -4.70 120.51 116.32 2qxs n ALA 382 Ca -0.04 -0.46 0.01 0.00 0.00 0.00 0.00 53.44 52.95 2qxs n ALA 382 Cb 0.77 -0.61 0.15 0.00 0.00 0.00 0.00 19.45 19.76 2qxs n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2qxs h TRP 383 N 0.00 1.15 0.04 0.00 5.08 -1.40 -0.09 115.95 120.74 2qxs h TRP 383 Ca 0.00 0.03 -0.24 0.00 1.08 0.00 0.00 58.89 59.76 2qxs h TRP 383 Cb 0.53 -0.38 0.01 0.00 -3.00 0.00 0.00 29.16 26.32 2qxs h TRP 383 CO 0.00 0.62 -1.04 1.25 -1.28 0.00 0.00 178.44 177.99 2qxs h LEU 384 N 1.15 0.54 -0.81 0.11 5.85 -1.86 -1.28 115.31 119.01 2qxs h LEU 384 Ca 0.41 -0.47 0.07 0.00 0.84 0.00 0.00 57.88 58.73 2qxs h LEU 384 Cb 0.11 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 2qxs h LEU 384 CO -0.16 1.29 0.48 -0.33 -0.34 0.00 0.00 178.44 179.38 2qxs h GLU 385 N 0.20 0.83 -0.34 1.25 5.08 -1.66 0.62 114.58 120.56 2qxs h GLU 385 Ca -0.10 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 2qxs h GLU 385 Cb 1.70 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 2qxs h GLU 385 CO 0.18 0.55 -0.04 0.82 -1.00 0.00 0.00 179.01 179.52 2qxs h ILE 386 N 0.86 1.27 -0.70 3.13 2.04 -0.82 0.16 117.51 123.44 2qxs h ILE 386 Ca 0.36 -1.06 0.02 0.00 1.00 0.00 0.00 64.86 65.19 2qxs h ILE 386 Cb 0.23 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 2qxs h ILE 386 CO -0.20 0.35 0.45 -0.07 0.00 0.00 0.00 178.15 178.68 2qxs h LEU 387 N 0.42 0.75 -0.39 1.44 3.38 -0.90 -2.10 115.31 117.91 2qxs h LEU 387 Ca 0.09 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2qxs h LEU 387 Cb 0.52 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2qxs h LEU 387 CO 0.03 0.53 -0.04 0.24 0.09 0.00 0.00 178.44 179.28 2qxs h MET 388 N 0.89 0.72 -0.27 1.13 2.86 -0.58 -0.79 114.93 118.89 2qxs h MET 388 Ca 0.27 -0.25 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 2qxs h MET 388 Cb -0.02 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2qxs h MET 388 CO -0.09 0.83 -0.28 0.97 1.06 0.00 0.00 176.91 179.40 2qxs h ILE 389 N 0.54 1.28 -0.34 -1.22 2.10 -0.90 0.17 117.51 119.13 2qxs h ILE 389 Ca 0.11 -1.35 0.02 0.00 1.08 0.00 0.00 64.86 64.71 2qxs h ILE 389 Cb 0.53 1.38 -0.03 0.00 -1.09 0.00 0.00 36.82 37.61 2qxs h ILE 389 CO 0.03 0.43 0.19 1.23 -1.08 0.00 0.00 178.15 178.95 2qxs h GLY 390 N 1.03 0.47 0.70 8.18 0.00 -1.24 -1.00 103.07 111.22 2qxs h GLY 390 Ca 0.06 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.29 2qxs h GLY 390 CO 0.06 0.12 0.14 -2.00 0.00 0.00 0.00 176.54 174.85 2qxs h LEU 391 N 0.39 0.16 -0.51 3.11 5.85 -0.60 -0.54 115.31 123.17 2qxs h LEU 391 Ca 0.14 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2qxs h LEU 391 Cb 0.03 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2qxs h LEU 391 CO -0.08 0.13 0.30 0.58 -0.34 0.00 0.00 178.44 179.03 2qxs h VAL 392 N 0.29 1.16 -0.22 1.05 2.07 -0.74 -1.35 116.25 118.52 2qxs h VAL 392 Ca 0.16 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 2qxs h VAL 392 Cb 0.13 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2qxs h VAL 392 CO -0.16 0.16 0.13 -0.25 0.02 0.00 0.00 177.57 177.47 2qxs h TRP 393 N 0.68 0.30 -0.02 1.57 2.91 -0.93 -2.05 115.95 118.41 2qxs h TRP 393 Ca 0.18 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.20 2qxs h TRP 393 Cb 0.00 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 28.56 2qxs h TRP 393 CO -0.02 0.26 0.02 0.00 -1.03 0.00 0.00 178.44 177.66 2qxs h ARG 394 N 0.26 0.00 -0.01 2.65 3.08 -0.71 -2.54 114.38 117.10 2qxs h ARG 394 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2qxs h ARG 394 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2qxs h ARG 394 CO -0.01 0.00 -0.42 0.43 -1.07 0.00 0.00 179.97 178.90 2qxs n SER 395 N -4.21 0.94 -0.22 7.04 7.64 -0.54 -4.49 113.62 119.77 2qxs n SER 395 Ca -0.03 -0.74 0.03 0.00 1.01 0.00 0.00 58.87 59.15 2qxs n SER 395 Cb 0.11 0.28 0.28 0.00 -1.01 0.00 0.00 64.21 63.86 2qxs n SER 395 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2qxs h MET 396 N 0.81 0.90 -0.66 1.43 -1.53 -0.94 -0.50 114.93 114.45 2qxs h MET 396 Ca 0.00 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.21 2qxs h MET 396 Cb 0.53 -0.20 0.00 0.00 -0.55 0.00 0.00 31.60 31.37 2qxs h MET 396 CO 0.00 0.60 0.00 0.39 0.14 0.00 0.00 176.91 178.04 2qxs n GLU 397 N -4.45 3.40 -3.56 0.39 1.02 -1.26 -4.55 120.64 111.63 2qxs n GLU 397 Ca 0.10 -2.19 -0.27 0.00 -0.02 0.00 0.00 57.16 54.78 2qxs n GLU 397 Cb 0.12 -1.89 -0.10 0.00 -0.02 0.00 0.00 31.44 29.56 2qxs n GLU 397 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2qxs n HIS 398 N 0.62 1.18 -1.66 -0.32 8.25 -0.20 -5.10 115.22 117.98 2qxs n HIS 398 Ca 0.20 -3.80 -0.46 0.00 -0.26 0.00 0.00 57.72 53.40 2qxs n HIS 398 Cb 0.81 -0.23 -0.04 0.00 1.12 0.00 0.00 29.99 31.66 2qxs n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2qxs n PRO 399 N 2.12 2.03 -0.92 -0.41 -0.02 -1.26 -1.83 135.00 134.71 2qxs n PRO 399 Ca 0.25 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 2qxs n PRO 399 Cb 0.43 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2qxs n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qxs n GLY 400 N 2.76 0.84 3.21 -1.23 0.00 -1.26 -5.01 105.19 104.50 2qxs n GLY 400 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 2qxs n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qxs s LYS 401 N -0.08 0.92 -0.23 1.61 1.02 -0.76 -4.29 119.74 117.93 2qxs s LYS 401 Ca 0.00 -1.04 -0.04 0.00 0.02 0.00 0.00 55.97 54.91 2qxs s LYS 401 Cb 0.00 -0.99 -0.01 0.00 -0.52 0.00 0.00 37.83 36.31 2qxs s LYS 401 CO 0.00 0.22 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.13 2qxs s LEU 402 N -1.85 3.10 -1.21 3.17 1.43 0.10 -4.84 118.68 118.59 2qxs s LEU 402 Ca 0.01 -0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 52.55 2qxs s LEU 402 Cb -0.10 -1.77 0.18 0.00 0.03 0.00 0.00 46.19 44.53 2qxs s LEU 402 CO 0.03 -0.05 1.44 -0.11 0.23 0.00 0.00 176.35 177.89 2qxs n LEU 403 N 4.81 5.39 -0.28 1.79 0.00 -1.26 -1.29 117.00 126.16 2qxs n LEU 403 Ca -0.17 -4.55 -0.03 0.00 0.00 0.00 0.00 56.01 51.26 2qxs n LEU 403 Cb 0.50 -1.59 0.09 0.00 0.00 0.00 0.00 43.42 42.43 2qxs n LEU 403 CO 0.29 0.86 1.18 -0.26 0.00 0.00 0.00 177.39 179.46 2qxs h PHE 404 N 6.93 0.93 -3.71 1.96 0.04 -1.62 -3.44 116.94 118.04 2qxs h PHE 404 Ca 0.31 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 61.02 2qxs h PHE 404 Cb 0.85 -0.31 -0.13 0.00 2.20 0.00 0.00 35.95 38.56 2qxs h PHE 404 CO 1.08 0.54 -0.25 0.00 -0.60 0.00 0.00 178.31 179.07 2qxs s ALA 405 N -6.11 -0.33 0.56 2.45 0.00 -1.07 -4.93 121.76 112.33 2qxs s ALA 405 Ca -0.13 -0.59 0.27 0.00 0.00 0.00 0.00 51.96 51.51 2qxs s ALA 405 Cb 0.16 0.72 1.47 0.00 0.00 0.00 0.00 23.12 25.47 2qxs s ALA 405 CO 0.78 -0.62 2.01 -1.35 0.00 0.00 0.00 175.76 176.58 2qxs h PRO 406 N 2.54 0.00 -0.32 0.00 0.11 -1.87 0.33 132.00 132.78 2qxs h PRO 406 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2qxs h PRO 406 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2qxs h PRO 406 CO 0.49 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.55 2qxs n ASN 407 N -4.11 4.19 -3.22 -2.05 6.94 -1.26 -4.59 115.26 111.15 2qxs n ASN 407 Ca 0.07 -2.96 -0.24 0.00 -0.02 0.00 0.00 54.58 51.44 2qxs n ASN 407 Cb 0.54 -0.56 -0.07 0.00 -2.36 0.00 0.00 39.78 37.33 2qxs n ASN 407 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2qxs n LEU 408 N -0.25 -0.29 -4.22 -4.53 7.94 0.10 -4.86 117.00 110.89 2qxs n LEU 408 Ca 0.22 -4.47 -0.37 0.00 -1.11 0.00 0.00 56.01 50.28 2qxs n LEU 408 Cb 0.93 0.62 -0.12 0.00 0.53 0.00 0.00 43.42 45.38 2qxs n LEU 408 CO 0.18 1.99 -0.26 -0.22 -1.11 0.00 0.00 177.39 177.97 2qxs s LEU 409 N -0.69 4.37 0.06 -1.96 2.96 -1.24 -1.51 118.68 120.66 2qxs s LEU 409 Ca 0.34 -1.32 0.06 0.00 -0.22 0.00 0.00 54.13 52.99 2qxs s LEU 409 Cb 0.13 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2qxs s LEU 409 CO -0.14 -0.35 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.65 2qxs s LEU 410 N 1.33 2.89 0.52 -0.68 1.43 -0.41 -4.91 118.68 118.83 2qxs s LEU 410 Ca -0.01 -0.36 0.08 0.00 -1.03 0.00 0.00 54.13 52.81 2qxs s LEU 410 Cb -0.20 -1.69 0.04 0.00 0.03 0.00 0.00 46.19 44.37 2qxs s LEU 410 CO 0.01 0.23 0.55 1.51 0.23 0.00 0.00 176.35 178.88 2qxs s ASP 411 N -1.73 4.98 0.32 2.29 1.47 -1.26 -0.72 116.67 122.02 2qxs s ASP 411 Ca 0.18 -0.92 0.08 0.00 1.18 0.00 0.00 52.55 53.06 2qxs s ASP 411 Cb -0.11 0.06 0.78 0.00 -0.34 0.00 0.00 42.92 43.31 2qxs s ASP 411 CO 0.09 -1.06 1.79 -0.09 0.68 0.00 0.00 175.17 176.58 2qxs h ARG 412 N 0.60 0.71 0.00 2.11 2.43 -1.98 -1.74 114.38 116.50 2qxs h ARG 412 Ca -0.36 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.67 2qxs h ARG 412 Cb 1.29 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 2qxs h ARG 412 CO 0.50 0.47 -0.47 -0.91 -1.51 0.00 0.00 179.97 178.05 2qxs h ASN 413 N 0.73 0.00 0.40 -3.80 2.35 -1.96 -2.02 115.58 111.28 2qxs h ASN 413 Ca 0.56 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 56.14 2qxs h ASN 413 Cb 0.91 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.27 2qxs h ASN 413 CO -0.34 0.47 -0.71 1.56 -1.65 0.00 0.00 177.43 176.77 2qxs h GLN 414 N 0.00 0.26 -0.43 0.81 4.20 -1.74 -3.06 115.11 115.15 2qxs h GLN 414 Ca -0.00 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 58.51 2qxs h GLN 414 Cb 1.04 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 2qxs h GLN 414 CO 0.06 0.86 0.29 0.78 -0.67 0.00 0.00 178.83 180.15 2qxs h GLY 415 N 1.54 0.58 2.00 3.46 0.00 -0.68 -1.96 103.07 108.01 2qxs h GLY 415 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2qxs h GLY 415 CO 0.11 0.20 0.00 0.50 0.00 0.00 0.00 176.54 177.35 2qxs h LYS 416 N 0.54 0.00 0.00 4.80 1.57 -1.31 -2.65 116.57 119.52 2qxs h LYS 416 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2qxs h LYS 416 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2qxs h LYS 416 CO -0.04 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.84 2qxs s VAL 418 N -3.24 4.01 -0.02 0.00 1.01 -1.00 -4.84 120.40 116.32 2qxs s VAL 418 Ca 0.06 -0.46 -0.36 0.00 0.00 0.00 0.00 61.98 61.23 2qxs s VAL 418 Cb 0.10 -2.95 -0.14 0.00 0.00 0.00 0.00 36.38 33.39 2qxs s VAL 418 CO 0.46 0.24 1.65 -1.84 0.00 0.00 0.00 175.10 175.60 2qxs n GLU 419 N 4.88 1.72 -0.56 2.72 0.00 -1.26 -1.91 120.64 126.23 2qxs n GLU 419 Ca -0.16 0.63 0.00 0.00 0.00 0.00 0.00 57.16 57.63 2qxs n GLU 419 Cb 0.50 -2.37 0.00 0.00 0.00 0.00 0.00 31.44 29.56 2qxs n GLU 419 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2qxs n GLY 420 N 3.67 1.01 0.10 -1.84 0.00 -1.26 -4.94 105.19 101.93 2qxs n GLY 420 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 2qxs n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2qxs h MET 421 N 3.53 0.20 -0.74 1.61 1.85 -1.61 -3.40 114.93 116.37 2qxs h MET 421 Ca 0.00 -0.34 0.07 0.00 -0.61 0.00 0.00 59.70 58.82 2qxs h MET 421 Cb 0.00 0.13 -0.06 0.00 0.43 0.00 0.00 31.60 32.09 2qxs h MET 421 CO 0.00 1.09 0.41 -0.39 -0.40 0.00 0.00 176.91 177.63 2qxs h VAL 422 N 0.05 0.95 -0.94 -5.77 -1.51 -1.78 0.39 116.25 107.64 2qxs h VAL 422 Ca -0.16 -0.25 0.04 0.00 -1.23 0.00 0.00 66.70 65.09 2qxs h VAL 422 Cb 1.96 0.15 -0.06 0.00 -2.13 0.00 0.00 31.29 31.21 2qxs h VAL 422 CO 0.17 0.13 0.61 -0.33 -1.23 0.00 0.00 177.57 176.92 2qxs h GLU 423 N 0.74 1.14 0.01 5.19 3.07 -1.96 0.20 114.58 122.97 2qxs h GLU 423 Ca 0.34 -0.07 -0.24 0.00 -0.50 0.00 0.00 59.36 58.89 2qxs h GLU 423 Cb 0.25 -0.26 0.01 0.00 -0.84 0.00 0.00 28.75 27.91 2qxs h GLU 423 CO -0.21 0.76 -1.00 0.82 -1.40 0.00 0.00 179.01 177.98 2qxs h ILE 424 N 1.18 1.35 -0.55 3.13 2.04 -1.65 -2.59 117.51 120.43 2qxs h ILE 424 Ca 0.38 -2.39 0.10 0.00 1.00 0.00 0.00 64.86 63.95 2qxs h ILE 424 Cb 0.02 2.43 -0.08 0.00 -0.74 0.00 0.00 36.82 38.44 2qxs h ILE 424 CO -0.13 0.72 0.08 0.15 0.00 0.00 0.00 178.15 178.98 2qxs h PHE 425 N 0.29 0.12 -0.82 1.37 3.04 -0.38 -0.41 116.94 120.15 2qxs h PHE 425 Ca -0.10 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.87 2qxs h PHE 425 Cb 1.64 0.03 -0.04 0.00 2.56 0.00 0.00 35.95 40.15 2qxs h PHE 425 CO 0.08 -0.06 0.46 -0.44 -2.02 0.00 0.00 178.31 176.33 2qxs h ASP 426 N 0.21 1.01 -0.62 0.41 3.32 -0.48 -0.71 116.42 119.56 2qxs h ASP 426 Ca 0.29 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 2qxs h ASP 426 Cb 0.42 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2qxs h ASP 426 CO -0.40 0.80 0.14 0.24 -1.72 0.00 0.00 179.24 178.30 2qxs h MET 427 N 1.14 0.99 -0.56 3.56 2.86 -0.98 -1.09 114.93 120.84 2qxs h MET 427 Ca 0.29 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.61 2qxs h MET 427 Cb 0.01 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 2qxs h MET 427 CO -0.05 0.91 0.07 -0.07 1.06 0.00 0.00 176.91 178.84 2qxs h LEU 428 N 0.91 0.91 -0.56 1.22 3.38 -0.62 -1.67 115.31 118.88 2qxs h LEU 428 Ca 0.19 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2qxs h LEU 428 Cb 0.37 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2qxs h LEU 428 CO 0.00 0.95 0.26 -0.07 0.09 0.00 0.00 178.44 179.68 2qxs h LEU 429 N 0.84 0.75 -1.34 1.67 3.38 -0.98 -1.19 115.31 118.44 2qxs h LEU 429 Ca 0.17 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2qxs h LEU 429 Cb 0.44 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2qxs h LEU 429 CO 0.01 0.68 0.45 0.00 0.09 0.00 0.00 178.44 179.68 2qxs h ALA 430 N 1.10 1.53 -0.27 1.53 0.00 -0.97 -0.28 119.26 121.89 2qxs h ALA 430 Ca 0.19 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2qxs h ALA 430 Cb 0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2qxs h ALA 430 CO -0.02 0.44 -0.33 1.15 0.00 0.00 0.00 179.25 180.48 2qxs h THR 431 N 0.91 1.31 -0.42 0.00 2.02 -0.85 -1.06 112.91 114.82 2qxs h THR 431 Ca 0.25 -1.51 0.06 0.00 0.77 0.00 0.00 66.41 65.98 2qxs h THR 431 Cb -0.09 1.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.92 2qxs h THR 431 CO -0.06 0.48 0.13 -1.28 0.37 0.00 0.00 175.52 175.17 2qxs h SER 432 N 0.43 0.11 -0.65 4.18 0.87 -0.94 -0.68 113.55 116.86 2qxs h SER 432 Ca 0.04 0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.71 2qxs h SER 432 Cb 0.91 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.87 2qxs h SER 432 CO 0.08 0.10 0.35 0.28 -0.53 0.00 0.00 176.83 177.10 2qxs h SER 433 N 0.28 0.50 -0.72 6.23 0.02 -0.87 -1.99 113.55 117.01 2qxs h SER 433 Ca 0.20 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 2qxs h SER 433 Cb 0.21 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 2qxs h SER 433 CO -0.22 0.32 0.47 -0.09 -1.14 0.00 0.00 176.83 176.17 2qxs h ARG 434 N 0.64 0.95 -0.97 3.45 9.65 -0.62 -0.68 114.38 126.80 2qxs h ARG 434 Ca 0.30 -0.06 0.05 0.00 -1.10 0.00 0.00 59.98 59.17 2qxs h ARG 434 Cb 0.21 -0.21 -0.06 0.00 -1.39 0.00 0.00 29.97 28.52 2qxs h ARG 434 CO -0.20 0.64 0.63 0.74 2.80 0.00 0.00 179.97 184.58 2qxs h PHE 435 N 0.97 1.17 -0.26 2.20 -1.00 -0.73 -1.47 116.94 117.82 2qxs h PHE 435 Ca 0.26 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.98 2qxs h PHE 435 Cb -0.10 -0.39 -0.01 0.00 3.61 0.00 0.00 35.95 39.07 2qxs h PHE 435 CO -0.02 0.64 -0.19 -0.09 -1.61 0.00 0.00 178.31 177.04 2qxs h ARG 436 N 1.17 0.59 0.00 1.51 2.43 -0.77 -0.90 114.38 118.42 2qxs h ARG 436 Ca 0.41 -0.28 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 2qxs h ARG 436 Cb 0.10 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2qxs h ARG 436 CO -0.14 0.87 -0.36 0.00 -1.51 0.00 0.00 179.97 178.82 2qxs h MET 437 N 0.31 0.00 -0.00 0.20 -0.00 -0.68 -1.65 114.93 113.12 2qxs h MET 437 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.75 2qxs h MET 437 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.32 2qxs h MET 437 CO 0.05 0.36 -0.37 -1.33 -0.00 0.00 0.00 176.91 175.63 2qxs n MET 438 N -4.08 0.02 -3.77 -0.10 2.81 -0.60 -4.96 117.12 106.45 2qxs n MET 438 Ca -0.02 -0.01 -0.24 0.00 -1.81 0.00 0.00 57.70 55.62 2qxs n MET 438 Cb 0.40 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.43 2qxs n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2qxs n ASN 439 N -1.48 -1.68 -4.68 7.83 5.15 -0.45 -4.86 115.26 115.09 2qxs n ASN 439 Ca 0.06 -0.91 -0.46 0.00 -0.60 0.00 0.00 54.58 52.68 2qxs n ASN 439 Cb 0.34 -3.65 -0.04 0.00 -0.53 0.00 0.00 39.78 35.89 2qxs n ASN 439 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2qxs n LEU 440 N -4.27 3.21 -4.91 1.20 7.94 -0.56 -4.99 117.00 114.63 2qxs n LEU 440 Ca -0.27 1.08 -0.30 0.00 -1.11 0.00 0.00 56.01 55.42 2qxs n LEU 440 Cb 0.67 -1.44 -0.04 0.00 0.53 0.00 0.00 43.42 43.13 2qxs n LEU 440 CO 0.70 -0.23 0.08 -1.10 -1.11 0.00 0.00 177.39 175.73 2qxs s GLN 441 N 0.99 3.60 0.34 1.96 -1.52 -1.26 -4.97 119.66 118.80 2qxs s GLN 441 Ca 0.78 -0.12 0.03 0.00 -1.95 0.00 0.00 55.36 54.10 2qxs s GLN 441 Cb -0.66 -2.79 0.63 0.00 -0.22 0.00 0.00 33.01 29.97 2qxs s GLN 441 CO 0.37 0.38 1.98 0.78 -0.25 0.00 0.00 175.29 178.55 2qxs h GLY 442 N 2.30 1.00 1.67 3.09 0.00 -1.99 -0.55 103.07 108.58 2qxs h GLY 442 Ca -0.47 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 46.43 2qxs h GLY 442 CO 0.70 0.31 -0.21 0.83 0.00 0.00 0.00 176.54 178.16 2qxs h GLU 443 N 0.88 0.39 -0.33 4.80 3.07 -1.99 -1.75 114.58 119.65 2qxs h GLU 443 Ca 0.28 -0.13 -0.15 0.00 -0.50 0.00 0.00 59.36 58.87 2qxs h GLU 443 Cb 0.04 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2qxs h GLU 443 CO -0.08 0.59 -0.36 0.93 -1.40 0.00 0.00 179.01 178.69 2qxs h GLU 444 N 0.36 0.84 -0.12 2.33 5.08 -1.56 -3.03 114.58 118.47 2qxs h GLU 444 Ca 0.06 -0.45 0.03 0.00 -1.00 0.00 0.00 59.36 58.00 2qxs h GLU 444 Cb 0.58 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2qxs h GLU 444 CO 0.04 1.09 -0.06 0.35 -1.00 0.00 0.00 179.01 179.43 2qxs h PHE 445 N 0.62 -0.15 -0.40 4.33 3.57 -0.70 -1.20 116.94 123.01 2qxs h PHE 445 Ca 0.05 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 2qxs h PHE 445 Cb 0.95 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 2qxs h PHE 445 CO 0.07 -0.10 0.13 -0.39 -2.23 0.00 0.00 178.31 175.79 2qxs h VAL 446 N -0.06 1.17 -0.16 1.41 -1.51 -1.38 -0.75 116.25 114.98 2qxs h VAL 446 Ca 0.07 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 2qxs h VAL 446 Cb 0.16 0.73 -0.01 0.00 -2.13 0.00 0.00 31.29 30.04 2qxs h VAL 446 CO -0.16 0.21 0.10 0.00 -1.23 0.00 0.00 177.57 176.49 2qxs h LEU 448 N 0.20 1.11 -0.90 0.00 3.38 -0.43 -0.59 115.31 118.08 2qxs h LEU 448 Ca 0.06 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2qxs h LEU 448 Cb -0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2qxs h LEU 448 CO -0.02 0.90 -0.25 0.50 0.09 0.00 0.00 178.44 179.65 2qxs h LYS 449 N 1.24 0.52 -0.24 1.13 3.64 -1.04 -1.23 116.57 120.58 2qxs h LYS 449 Ca 0.31 -0.20 -0.15 0.00 -1.27 0.00 0.00 60.65 59.35 2qxs h LYS 449 Cb 0.03 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2qxs h LYS 449 CO -0.05 0.73 -0.45 0.77 -2.27 0.00 0.00 179.45 178.18 2qxs h SER 450 N 0.46 0.66 -0.50 4.20 0.02 -0.99 -2.41 113.55 114.99 2qxs h SER 450 Ca 0.07 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 2qxs h SER 450 Cb 0.68 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 2qxs h SER 450 CO 0.05 1.02 0.27 0.40 -1.14 0.00 0.00 176.83 177.43 2qxs h ILE 451 N 0.50 1.17 -0.33 3.27 2.04 -0.64 -2.19 117.51 121.32 2qxs h ILE 451 Ca 0.03 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.50 2qxs h ILE 451 Cb 0.97 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 2qxs h ILE 451 CO 0.09 0.19 0.05 0.40 0.00 0.00 0.00 178.15 178.87 2qxs h ILE 452 N 0.66 0.81 -0.55 -0.67 2.04 -0.94 0.16 117.51 119.01 2qxs h ILE 452 Ca 0.18 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 66.04 2qxs h ILE 452 Cb 0.06 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 2qxs h ILE 452 CO -0.03 0.03 0.26 0.25 0.00 0.00 0.00 178.15 178.66 2qxs h LEU 453 N 0.16 0.36 0.00 1.44 5.85 -1.14 -1.44 115.31 120.53 2qxs h LEU 453 Ca 0.16 0.04 -0.22 0.00 0.84 0.00 0.00 57.88 58.70 2qxs h LEU 453 Cb 0.19 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2qxs h LEU 453 CO -0.23 0.24 -1.20 -0.07 -0.34 0.00 0.00 178.44 176.84 2qxs h LEU 454 N 0.50 0.00 0.05 2.25 3.38 -0.98 -3.39 115.31 117.13 2qxs h LEU 454 Ca 0.25 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.89 2qxs h LEU 454 Cb 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2qxs h LEU 454 CO -0.20 0.93 -1.90 -3.20 0.09 0.00 0.00 178.44 174.16 2qxs n ASN 455 N -3.21 1.41 0.01 -0.43 2.85 0.51 -4.20 115.26 112.19 2qxs n ASN 455 Ca -0.06 0.28 -0.03 0.00 -0.11 0.00 0.00 54.58 54.67 2qxs n ASN 455 Cb 0.95 -0.36 0.23 0.00 1.24 0.00 0.00 39.78 41.84 2qxs n ASN 455 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2qxs h SER 456 N 0.03 0.48 -0.14 1.20 0.02 -1.46 -2.94 113.55 110.75 2qxs h SER 456 Ca -0.37 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 2qxs h SER 456 Cb 2.03 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 64.44 2qxs h SER 456 CO 0.07 0.68 0.00 0.61 -1.14 0.00 0.00 176.83 177.06 2qxs n GLY 457 N -0.51 1.07 0.23 -3.77 0.00 -1.26 -4.53 105.19 96.42 2qxs n GLY 457 Ca 0.00 -0.64 0.15 0.00 0.00 0.00 0.00 46.02 45.52 2qxs n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2qxs h VAL 458 N 4.23 0.00 -0.00 1.61 3.04 -1.68 -2.87 116.25 120.57 2qxs h VAL 458 Ca 0.00 -0.63 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 2qxs h VAL 458 Cb 0.92 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 31.80 2qxs h VAL 458 CO 0.00 0.00 -0.35 -1.22 -1.01 0.00 0.00 177.57 174.99 2qxs n TYR 459 N -2.95 0.00 -1.31 3.17 4.02 -1.26 -4.23 117.16 114.60 2qxs n TYR 459 Ca 0.02 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.99 2qxs n TYR 459 Cb 0.37 -0.24 0.16 0.00 -0.02 0.00 0.00 39.34 39.61 2qxs n TYR 459 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2qxs n THR 460 N -1.27 1.90 0.00 -0.72 -2.24 -1.08 -5.25 114.28 105.62 2qxs n THR 460 Ca 0.08 -2.51 0.00 0.00 -2.27 0.00 0.00 64.05 59.35 2qxs n THR 460 Cb 0.33 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 2qxs n THR 460 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2qxs n PHE 461 N -1.24 0.00 0.00 4.78 0.99 -1.25 -5.13 117.46 115.61 2qxs n PHE 461 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 2qxs n PHE 461 Cb 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.15 2qxs n PHE 461 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2qxs n THR 465 N 0.00 0.00 -0.26 4.37 -2.24 -1.26 -5.17 114.28 109.71 2qxs n THR 465 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 2qxs n THR 465 Cb 0.00 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.33 2qxs n THR 465 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2qxs h LEU 466 N 0.00 0.73 -0.77 3.22 5.85 -2.06 -1.51 115.31 120.77 2qxs h LEU 466 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2qxs h LEU 466 Cb 0.00 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 2qxs h LEU 466 CO 0.00 0.49 0.46 0.11 -0.34 0.00 0.00 178.44 179.15 2qxs h LYS 467 N 0.86 1.05 -0.72 1.25 6.56 -2.05 -2.08 116.57 121.45 2qxs h LYS 467 Ca 0.31 -0.10 -0.07 0.00 -1.06 0.00 0.00 60.65 59.74 2qxs h LYS 467 Cb 0.09 -0.22 -0.03 0.00 -0.57 0.00 0.00 32.23 31.51 2qxs h LYS 467 CO -0.14 0.75 0.19 1.03 -2.06 0.00 0.00 179.45 179.22 2qxs h SER 468 N 1.06 1.08 -0.76 0.86 0.87 -1.84 -0.64 113.55 114.17 2qxs h SER 468 Ca 0.28 -0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2qxs h SER 468 Cb -0.02 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 61.61 2qxs h SER 468 CO -0.05 1.02 0.50 -0.07 -0.53 0.00 0.00 176.83 177.70 2qxs h LEU 469 N 1.08 0.85 -0.71 2.23 3.38 -1.01 -0.48 115.31 120.65 2qxs h LEU 469 Ca 0.23 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2qxs h LEU 469 Cb 0.36 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2qxs h LEU 469 CO -0.00 0.61 0.31 -0.33 0.09 0.00 0.00 178.44 179.12 2qxs h GLU 470 N 1.01 1.05 -0.29 1.13 5.08 -0.98 -1.68 114.58 119.88 2qxs h GLU 470 Ca 0.28 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2qxs h GLU 470 Cb -0.09 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 2qxs h GLU 470 CO -0.07 0.85 0.11 0.93 -1.00 0.00 0.00 179.01 179.82 2qxs h GLU 471 N 1.00 0.45 -0.72 2.33 4.39 -0.65 -1.86 114.58 119.52 2qxs h GLU 471 Ca 0.24 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.80 2qxs h GLU 471 Cb 0.18 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 2qxs h GLU 471 CO -0.02 0.48 0.25 0.87 -1.16 0.00 0.00 179.01 179.43 2qxs h LYS 472 N 0.32 1.10 -0.61 2.33 1.57 -0.99 -1.13 116.57 119.16 2qxs h LYS 472 Ca 0.10 -0.22 0.04 0.00 -1.87 0.00 0.00 60.65 58.69 2qxs h LYS 472 Cb 0.21 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 2qxs h LYS 472 CO -0.01 0.93 0.36 0.22 -0.57 0.00 0.00 179.45 180.38 2qxs h ASP 473 N 1.05 0.56 -0.32 0.86 3.58 -1.16 -0.59 116.42 120.39 2qxs h ASP 473 Ca 0.24 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 2qxs h ASP 473 Cb 0.26 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2qxs h ASP 473 CO -0.01 0.38 0.16 -0.74 -2.88 0.00 0.00 179.24 176.15 2qxs h HIS 474 N 0.69 0.44 -0.51 0.28 2.76 -0.95 -1.49 115.15 116.38 2qxs h HIS 474 Ca 0.26 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.41 2qxs h HIS 474 Cb 0.08 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 2qxs h HIS 474 CO -0.07 0.38 0.31 0.82 -1.30 0.00 0.00 177.93 178.07 2qxs h ILE 475 N 0.38 1.15 -0.54 6.26 2.04 -0.89 -0.74 117.51 125.17 2qxs h ILE 475 Ca 0.11 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 2qxs h ILE 475 Cb 0.09 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2qxs h ILE 475 CO -0.02 0.16 0.10 0.45 0.00 0.00 0.00 178.15 178.84 2qxs h HIS 476 N 0.69 0.87 -0.53 1.37 3.86 -0.98 0.13 115.15 120.56 2qxs h HIS 476 Ca 0.18 -0.09 -0.12 0.00 -1.16 0.00 0.00 60.37 59.18 2qxs h HIS 476 Cb -0.02 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 2qxs h HIS 476 CO -0.03 0.75 -0.13 0.00 0.86 0.00 0.00 177.93 179.38 2qxs h ARG 477 N 0.80 1.03 -0.38 2.45 3.08 -0.80 -0.96 114.38 119.61 2qxs h ARG 477 Ca 0.17 -0.40 -0.12 0.00 0.07 0.00 0.00 59.98 59.70 2qxs h ARG 477 Cb 0.34 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2qxs h ARG 477 CO 0.00 1.09 -0.24 0.28 -1.07 0.00 0.00 179.97 180.03 2qxs h VAL 478 N 0.91 1.28 -0.92 2.04 2.07 -0.61 -1.98 116.25 119.04 2qxs h VAL 478 Ca 0.13 -1.39 0.05 0.00 0.82 0.00 0.00 66.70 66.32 2qxs h VAL 478 Cb 0.71 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 2qxs h VAL 478 CO 0.05 0.46 0.59 -0.07 0.02 0.00 0.00 177.57 178.62 2qxs h LEU 479 N 0.64 0.96 -0.88 2.57 3.38 -0.65 -0.76 115.31 120.57 2qxs h LEU 479 Ca 0.08 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.07 2qxs h LEU 479 Cb 0.80 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 2qxs h LEU 479 CO 0.07 0.64 0.58 0.44 0.09 0.00 0.00 178.44 180.26 2qxs h ASP 480 N 1.11 0.99 -0.78 -0.43 3.32 -0.88 -1.14 116.42 118.62 2qxs h ASP 480 Ca 0.38 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.40 2qxs h ASP 480 Cb 0.08 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 2qxs h ASP 480 CO -0.14 0.71 0.46 0.50 -1.72 0.00 0.00 179.24 179.05 2qxs h LYS 481 N 1.17 1.07 -0.32 3.56 3.64 -0.56 -0.97 116.57 124.17 2qxs h LYS 481 Ca 0.33 -0.10 -0.15 0.00 -1.27 0.00 0.00 60.65 59.46 2qxs h LYS 481 Cb -0.10 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.49 2qxs h LYS 481 CO -0.08 0.76 -0.41 0.82 -2.27 0.00 0.00 179.45 178.27 2qxs h ILE 482 N 1.09 1.28 -0.23 2.00 2.04 -0.48 -1.08 117.51 122.13 2qxs h ILE 482 Ca 0.28 -1.58 0.04 0.00 1.00 0.00 0.00 64.86 64.59 2qxs h ILE 482 Cb -0.03 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 2qxs h ILE 482 CO -0.05 0.52 0.02 0.74 0.00 0.00 0.00 178.15 179.38 2qxs h THR 483 N 0.63 0.86 -0.93 -0.27 2.02 -0.93 0.38 112.91 114.67 2qxs h THR 483 Ca 0.05 -0.03 0.11 0.00 0.77 0.00 0.00 66.41 67.31 2qxs h THR 483 Cb 0.96 0.75 -0.07 0.00 -1.74 0.00 0.00 68.15 68.06 2qxs h THR 483 CO 0.09 0.02 0.60 0.44 0.37 0.00 0.00 175.52 177.04 2qxs h ASP 484 N 0.10 0.83 -0.30 4.18 3.32 -0.89 -1.10 116.42 122.56 2qxs h ASP 484 Ca 0.11 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 2qxs h ASP 484 Cb 0.12 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2qxs h ASP 484 CO -0.16 0.46 -0.18 0.74 -1.72 0.00 0.00 179.24 178.38 2qxs h THR 485 N 0.90 1.30 -0.38 0.35 2.02 -0.46 -0.02 112.91 116.61 2qxs h THR 485 Ca 0.45 -1.30 0.01 0.00 0.77 0.00 0.00 66.41 66.34 2qxs h THR 485 Cb 0.47 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2qxs h THR 485 CO -0.21 0.41 0.24 -0.07 0.37 0.00 0.00 175.52 176.27 2qxs h LEU 486 N 0.39 0.41 -0.69 2.58 3.38 -0.41 -1.46 115.31 119.52 2qxs h LEU 486 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2qxs h LEU 486 Cb 0.71 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2qxs h LEU 486 CO 0.05 0.30 0.45 0.40 0.09 0.00 0.00 178.44 179.73 2qxs h ILE 487 N 0.50 1.18 -0.57 1.22 1.08 -1.06 -1.89 117.51 117.96 2qxs h ILE 487 Ca 0.15 -0.35 0.05 0.00 -0.39 0.00 0.00 64.86 64.32 2qxs h ILE 487 Cb -0.04 0.18 -0.05 0.00 -3.07 0.00 0.00 36.82 33.85 2qxs h ILE 487 CO -0.05 0.18 0.30 -0.74 -0.69 0.00 0.00 178.15 177.15 2qxs h HIS 488 N 0.93 0.54 -0.49 1.37 -0.00 -0.65 0.12 115.15 116.97 2qxs h HIS 488 Ca 0.25 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.60 2qxs h HIS 488 Cb -0.09 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.14 2qxs h HIS 488 CO -0.02 0.26 0.16 -0.07 -0.00 0.00 0.00 177.93 178.25 2qxs h LEU 489 N 0.57 0.72 -0.62 0.26 3.38 -0.83 -0.09 115.31 118.69 2qxs h LEU 489 Ca 0.26 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2qxs h LEU 489 Cb 0.16 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2qxs h LEU 489 CO -0.17 0.73 -0.23 0.24 0.09 0.00 0.00 178.44 179.10 2qxs h MET 490 N 0.66 0.84 -0.49 1.13 2.86 -1.00 -2.18 114.93 116.76 2qxs h MET 490 Ca 0.16 -0.35 -0.06 0.00 -2.06 0.00 0.00 59.70 57.39 2qxs h MET 490 Cb 0.27 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 2qxs h MET 490 CO -0.01 0.98 0.09 0.00 1.06 0.00 0.00 176.91 179.04 2qxs h ALA 491 N 1.01 0.65 0.00 6.32 0.00 -0.73 -2.64 119.26 123.87 2qxs h ALA 491 Ca 0.10 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2qxs h ALA 491 Cb 0.76 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2qxs h ALA 491 CO 0.06 0.37 -0.22 -0.22 0.00 0.00 0.00 179.25 179.25 2qxs h LYS 492 N 0.68 0.00 -0.00 0.00 3.64 -0.91 -1.77 116.57 118.22 2qxs h LYS 492 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2qxs h LYS 492 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2qxs h LYS 492 CO 0.01 0.22 -0.11 0.00 -2.27 0.00 0.00 179.45 177.30 2qxs n ALA 493 N -2.40 2.74 -0.14 5.00 0.00 -0.83 -4.95 120.51 119.93 2qxs n ALA 493 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2qxs n ALA 493 Cb 0.30 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2qxs n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qxs n GLY 494 N 1.31 0.85 3.77 0.00 0.00 -0.66 -5.07 105.19 105.38 2qxs n GLY 494 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 2qxs n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qxs s LEU 495 N 0.00 4.03 0.94 0.99 1.43 -1.02 -5.03 118.68 120.02 2qxs s LEU 495 Ca 0.00 2.30 -0.12 0.00 -1.03 0.00 0.00 54.13 55.28 2qxs s LEU 495 Cb 0.00 -4.22 0.16 0.00 0.03 0.00 0.00 46.19 42.15 2qxs s LEU 495 CO 0.00 -0.88 1.09 0.42 0.23 0.00 0.00 176.35 177.21 2qxs s THR 496 N -1.54 2.42 0.21 5.49 -4.23 -1.26 -4.68 115.64 112.05 2qxs s THR 496 Ca 0.63 0.14 -0.09 0.00 -1.18 0.00 0.00 61.69 61.18 2qxs s THR 496 Cb -0.28 -2.59 0.14 0.00 1.34 0.00 0.00 72.50 71.11 2qxs s THR 496 CO 0.35 -0.18 1.79 -0.07 -0.54 0.00 0.00 174.62 175.97 2qxs h LEU 497 N -1.73 0.49 -0.34 4.79 3.38 -1.99 0.14 115.31 120.05 2qxs h LEU 497 Ca -0.52 0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.52 2qxs h LEU 497 Cb 1.30 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 2qxs h LEU 497 CO 0.55 0.31 0.16 -0.61 0.09 0.00 0.00 178.44 178.94 2qxs h GLN 498 N 0.63 0.32 -0.58 1.13 4.15 -2.00 -1.31 115.11 117.44 2qxs h GLN 498 Ca 0.30 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.68 2qxs h GLN 498 Cb 0.23 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 2qxs h GLN 498 CO -0.20 0.21 0.26 1.96 -1.93 0.00 0.00 178.83 179.13 2qxs h GLN 499 N 0.33 0.83 0.06 1.69 4.20 -1.71 -1.15 115.11 119.36 2qxs h GLN 499 Ca 0.15 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2qxs h GLN 499 Cb 0.07 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.70 2qxs h GLN 499 CO -0.12 0.65 -0.03 1.96 -0.67 0.00 0.00 178.83 180.63 2qxs h GLN 500 N 0.82 -0.08 -0.27 1.46 4.20 -0.18 -0.62 115.11 120.44 2qxs h GLN 500 Ca 0.20 0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.80 2qxs h GLN 500 Cb 0.11 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2qxs h GLN 500 CO -0.02 0.02 -0.33 1.12 -0.67 0.00 0.00 178.83 178.94 2qxs h HIS 501 N -0.16 0.69 -0.53 2.96 2.07 -1.05 -0.33 115.15 118.80 2qxs h HIS 501 Ca -0.01 -0.18 -0.02 0.00 -2.85 0.00 0.00 60.37 57.31 2qxs h HIS 501 Cb 0.14 -0.16 -0.02 0.00 2.57 0.00 0.00 27.41 29.94 2qxs h HIS 501 CO -0.05 0.85 0.24 1.96 -3.07 0.00 0.00 177.93 177.86 2qxs h GLN 502 N 0.50 0.78 -0.33 5.12 4.20 -1.12 -2.08 115.11 122.17 2qxs h GLN 502 Ca 0.06 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 2qxs h GLN 502 Cb 0.82 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 2qxs h GLN 502 CO 0.07 0.66 -0.23 -0.09 -0.67 0.00 0.00 178.83 178.56 2qxs h ARG 503 N 0.71 0.75 -0.53 1.46 2.43 -0.94 -1.48 114.38 116.78 2qxs h ARG 503 Ca 0.18 -0.36 0.10 0.00 -0.81 0.00 0.00 59.98 59.10 2qxs h ARG 503 Cb 0.15 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.61 2qxs h ARG 503 CO -0.02 0.98 -0.01 1.25 -1.51 0.00 0.00 179.97 180.66 2qxs h LEU 504 N 0.52 -0.25 -0.49 3.80 5.85 -0.97 0.40 115.31 124.17 2qxs h LEU 504 Ca 0.07 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 2qxs h LEU 504 Cb 0.79 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 2qxs h LEU 504 CO 0.06 -0.09 0.24 0.00 -0.34 0.00 0.00 178.44 178.31 2qxs h ALA 505 N 1.48 0.64 -0.56 1.25 0.00 -1.19 -1.28 119.26 119.59 2qxs h ALA 505 Ca 0.27 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2qxs h ALA 505 Cb 0.41 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2qxs h ALA 505 CO -0.45 0.20 0.37 1.96 0.00 0.00 0.00 179.25 181.32 2qxs h GLN 506 N 0.65 0.73 -0.33 0.00 4.20 -0.77 -0.29 115.11 119.30 2qxs h GLN 506 Ca 0.17 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 2qxs h GLN 506 Cb 0.12 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2qxs h GLN 506 CO -0.02 0.48 0.13 -0.07 -0.67 0.00 0.00 178.83 178.68 2qxs h LEU 507 N 0.75 0.45 -0.95 1.46 3.38 -0.71 -3.00 115.31 116.69 2qxs h LEU 507 Ca 0.21 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 2qxs h LEU 507 Cb -0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2qxs h LEU 507 CO -0.05 0.49 -0.47 -0.07 0.09 0.00 0.00 178.44 178.43 2qxs h LEU 508 N 0.38 0.00 -1.49 1.67 3.38 -0.89 -2.27 115.31 116.09 2qxs h LEU 508 Ca 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2qxs h LEU 508 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2qxs h LEU 508 CO -0.01 0.47 -0.26 -0.07 0.09 0.00 0.00 178.44 178.67 2qxs h LEU 509 N 0.00 0.00 -1.57 1.67 3.38 -0.96 -2.09 115.31 115.73 2qxs h LEU 509 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2qxs h LEU 509 Cb 0.92 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2qxs h LEU 509 CO 0.06 0.26 0.31 0.40 0.09 0.00 0.00 178.44 179.55 2qxs h ILE 510 N 0.00 1.09 0.00 1.22 2.04 -1.27 -1.81 117.51 118.78 2qxs h ILE 510 Ca -0.00 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 2qxs h ILE 510 Cb 0.53 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2qxs h ILE 510 CO 0.03 0.11 -0.09 -0.07 0.00 0.00 0.00 178.15 178.13 2qxs h LEU 511 N 0.58 0.00 -0.74 1.44 3.38 -1.44 -0.79 115.31 117.73 2qxs h LEU 511 Ca 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2qxs h LEU 511 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2qxs h LEU 511 CO -0.04 0.09 0.25 -1.28 0.09 0.00 0.00 178.44 177.55 2qxs h SER 512 N 0.00 1.06 -0.47 -0.43 0.87 -1.44 -0.90 113.55 112.24 2qxs h SER 512 Ca -0.00 -0.20 -0.13 0.00 -1.23 0.00 0.00 61.79 60.23 2qxs h SER 512 Cb 0.16 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2qxs h SER 512 CO 0.01 0.97 -0.22 0.45 -0.53 0.00 0.00 176.83 177.51 2qxs h HIS 513 N 1.08 1.14 -0.58 2.24 3.86 -1.30 -1.25 115.15 120.35 2qxs h HIS 513 Ca 0.24 -0.28 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2qxs h HIS 513 Cb 0.28 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 2qxs h HIS 513 CO 0.02 1.10 0.32 0.82 0.86 0.00 0.00 177.93 181.06 2qxs h ILE 514 N 0.85 1.19 -0.32 2.45 2.04 -1.01 -0.48 117.51 122.23 2qxs h ILE 514 Ca 0.11 -0.46 0.03 0.00 1.00 0.00 0.00 64.86 65.54 2qxs h ILE 514 Cb 0.80 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 2qxs h ILE 514 CO 0.07 0.20 0.13 -0.09 0.00 0.00 0.00 178.15 178.46 2qxs h ARG 515 N 0.78 0.28 -0.33 2.37 9.65 -0.99 -0.79 114.38 125.35 2qxs h ARG 515 Ca 0.20 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.12 2qxs h ARG 515 Cb 0.03 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.50 2qxs h ARG 515 CO -0.03 0.19 0.05 1.25 2.80 0.00 0.00 179.97 184.22 2qxs h HIS 516 N 0.29 0.08 -0.74 2.20 2.76 -0.71 -1.26 115.15 117.76 2qxs h HIS 516 Ca 0.14 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 2qxs h HIS 516 Cb 0.08 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.02 2qxs h HIS 516 CO -0.12 0.00 0.36 0.52 -1.30 0.00 0.00 177.93 177.39 2qxs h MET 517 N 0.16 1.06 -0.51 5.26 2.86 -0.74 -1.02 114.93 122.00 2qxs h MET 517 Ca 0.16 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 2qxs h MET 517 Cb 0.18 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 2qxs h MET 517 CO -0.22 0.82 0.12 0.66 1.06 0.00 0.00 176.91 179.35 2qxs h SER 518 N 1.06 0.77 -0.42 1.22 4.64 -0.60 0.29 113.55 120.50 2qxs h SER 518 Ca 0.26 -0.23 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 2qxs h SER 518 Cb 0.11 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 2qxs h SER 518 CO -0.03 0.80 0.12 0.78 -0.87 0.00 0.00 176.83 177.63 2qxs h ASN 519 N 0.70 0.62 0.01 4.97 2.35 -0.88 0.92 115.58 124.27 2qxs h ASN 519 Ca 0.16 -0.22 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 2qxs h ASN 519 Cb 0.33 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2qxs h ASN 519 CO 0.00 0.68 -0.23 0.11 -1.65 0.00 0.00 177.43 176.34 2qxs h LYS 520 N 0.54 0.37 -0.27 0.81 1.79 -1.00 -1.98 116.57 116.84 2qxs h LYS 520 Ca 0.13 -0.13 -0.18 0.00 -2.18 0.00 0.00 60.65 58.30 2qxs h LYS 520 Cb 0.29 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2qxs h LYS 520 CO -0.00 0.59 -0.52 0.78 -1.08 0.00 0.00 179.45 179.22 2qxs h GLY 521 N 0.98 0.91 0.98 3.86 0.00 -0.07 -2.40 103.07 107.33 2qxs h GLY 521 Ca 0.05 -1.07 -0.03 0.00 0.00 0.00 0.00 47.33 46.28 2qxs h GLY 521 CO 0.04 0.96 0.19 1.98 0.00 0.00 0.00 176.54 179.72 2qxs h MET 522 N 0.60 0.80 -0.86 4.80 1.85 -0.61 0.92 114.93 122.42 2qxs h MET 522 Ca 0.01 -0.15 0.04 0.00 -0.61 0.00 0.00 59.70 58.99 2qxs h MET 522 Cb 1.13 -0.12 -0.06 0.00 0.43 0.00 0.00 31.60 32.98 2qxs h MET 522 CO 0.12 0.71 0.55 1.49 -0.40 0.00 0.00 176.91 179.38 2qxs h GLU 523 N 0.71 1.01 0.02 0.39 4.81 -1.38 -1.08 114.58 119.06 2qxs h GLU 523 Ca 0.17 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2qxs h GLU 523 Cb 0.23 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2qxs h GLU 523 CO -0.01 0.67 -0.01 1.25 -0.73 0.00 0.00 179.01 180.18 2qxs h HIS 524 N 1.04 -0.02 -0.63 0.92 2.76 -0.88 -1.86 115.15 116.47 2qxs h HIS 524 Ca 0.36 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.64 2qxs h HIS 524 Cb 0.07 0.01 -0.09 0.00 1.55 0.00 0.00 27.41 28.95 2qxs h HIS 524 CO -0.02 0.22 0.16 -0.07 -1.30 0.00 0.00 177.93 176.92 2qxs h LEU 525 N -0.27 0.05 -1.43 0.26 3.38 -0.64 -1.37 115.31 115.29 2qxs h LEU 525 Ca -0.00 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2qxs h LEU 525 Cb 0.26 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2qxs h LEU 525 CO 0.00 0.03 0.01 1.88 0.09 0.00 0.00 178.44 180.46 2qxs h TYR 526 N 0.29 0.39 0.00 1.13 0.05 -1.02 -2.47 116.97 115.34 2qxs h TYR 526 Ca 0.33 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.09 2qxs h TYR 526 Cb 0.49 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.11 2qxs h TYR 526 CO -0.23 0.39 0.00 0.66 -1.05 0.00 0.00 178.16 177.92 2qxs h SER 527 N 0.38 0.00 0.97 3.88 4.64 -0.39 -2.75 113.55 120.27 2qxs h SER 527 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2qxs h SER 527 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2qxs h SER 527 CO 0.00 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.19 2qxs n MET 528 N -2.56 0.07 -2.46 4.77 2.81 -0.93 -5.12 117.12 113.71 2qxs n MET 528 Ca 0.00 0.14 -0.02 0.00 -1.81 0.00 0.00 57.70 56.01 2qxs n MET 528 Cb 0.19 -1.60 -0.01 0.00 -0.71 0.00 0.00 33.22 31.09 2qxs n MET 528 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2qxs n LYS 529 N -1.73 -3.65 -0.11 0.03 0.00 -1.04 -5.16 118.16 106.50 2qxs n LYS 529 Ca 0.06 2.72 -0.23 0.00 -0.00 0.00 0.00 58.31 60.85 2qxs n LYS 529 Cb 0.31 -3.61 -0.11 0.00 -0.00 0.00 0.00 35.03 31.62 2qxs n LYS 529 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2qxs n LYS 531 N 1.93 0.63 -4.69 -1.58 4.81 -1.26 -5.18 118.16 112.82 2qxs n LYS 531 Ca -0.12 0.25 -0.33 0.00 -0.87 0.00 0.00 58.31 57.24 2qxs n LYS 531 Cb 0.19 -1.56 -0.15 0.00 0.02 0.00 0.00 35.03 33.53 2qxs n LYS 531 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2qxs s ASN 532 N -6.99 3.58 0.07 3.14 0.01 -1.26 -4.98 114.94 108.51 2qxs s ASN 532 Ca -0.34 -0.47 0.00 0.00 -0.71 0.00 0.00 52.86 51.34 2qxs s ASN 532 Cb 0.11 -1.54 0.00 0.00 0.41 0.00 0.00 41.25 40.23 2qxs s ASN 532 CO 0.58 0.11 0.00 0.52 -1.51 0.00 0.00 177.10 176.80 2qxs n VAL 533 N 3.88 0.74 -3.87 1.60 0.31 -1.26 -5.09 118.33 114.64 2qxs n VAL 533 Ca -0.19 0.24 -0.30 0.00 -0.01 0.00 0.00 64.34 64.08 2qxs n VAL 533 Cb 0.52 -1.51 -0.04 0.00 -0.91 0.00 0.00 33.84 31.90 2qxs n VAL 533 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2qxs s VAL 534 N -2.00 5.33 0.08 2.52 -7.23 -1.26 -5.06 120.40 112.78 2qxs s VAL 534 Ca 0.00 -0.37 -0.31 0.00 -1.81 0.00 0.00 61.98 59.49 2qxs s VAL 534 Cb 0.00 -3.65 -0.07 0.00 0.56 0.00 0.00 36.38 33.22 2qxs s VAL 534 CO 0.00 0.07 1.40 -2.16 -0.31 0.00 0.00 175.10 174.10 2qxs s PRO 535 N -2.70 4.31 0.85 4.82 0.04 -1.26 -5.00 135.00 136.07 2qxs s PRO 535 Ca 0.36 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.34 2qxs s PRO 535 Cb -0.12 -3.36 0.10 0.00 0.04 0.00 0.00 34.50 31.16 2qxs s PRO 535 CO 0.28 -0.48 1.09 -1.54 0.04 0.00 0.00 177.00 176.38 2qxs s SER 536 N 1.39 3.84 0.17 6.66 1.04 -1.26 -4.84 113.70 120.70 2qxs s SER 536 Ca 0.65 1.57 -0.15 0.00 0.48 0.00 0.00 55.95 58.50 2qxs s SER 536 Cb -0.35 -2.26 0.12 0.00 0.10 0.00 0.00 66.02 63.62 2qxs s SER 536 CO 0.29 -2.42 1.73 0.22 0.98 0.00 0.00 173.24 174.05 2qxs h TYR 537 N -1.40 0.19 0.00 5.02 5.03 -1.98 -1.97 116.97 121.86 2qxs h TYR 537 Ca -0.48 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 60.76 2qxs h TYR 537 Cb 1.27 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.51 2qxs h TYR 537 CO 0.47 0.04 -0.45 -0.44 -1.32 0.00 0.00 178.16 176.47 2qxs h ASP 538 N 0.25 0.00 -0.04 -2.11 5.19 -1.97 0.74 116.42 118.48 2qxs h ASP 538 Ca 0.20 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.61 2qxs h ASP 538 Cb 0.23 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 2qxs h ASP 538 CO -0.24 0.45 0.01 0.25 -3.12 0.00 0.00 179.24 176.58 2qxs h LEU 539 N 0.00 0.07 -0.39 1.55 6.46 -1.85 -0.84 115.31 120.30 2qxs h LEU 539 Ca -0.00 -0.25 -0.03 0.00 -0.12 0.00 0.00 57.88 57.48 2qxs h LEU 539 Cb 1.06 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.96 2qxs h LEU 539 CO 0.06 0.30 0.13 -0.07 -0.62 0.00 0.00 178.44 178.24 2qxs h LEU 540 N -0.17 0.57 -0.52 2.25 3.38 -1.21 -1.45 115.31 118.16 2qxs h LEU 540 Ca 0.01 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 57.89 2qxs h LEU 540 Cb 0.26 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 40.76 2qxs h LEU 540 CO 0.00 0.61 -0.32 0.25 0.09 0.00 0.00 178.44 179.07 2qxs h LEU 541 N 0.49 -1.10 -0.58 1.67 7.12 -0.78 0.48 115.31 122.62 2qxs h LEU 541 Ca 0.13 0.21 -0.13 0.00 0.13 0.00 0.00 57.88 58.22 2qxs h LEU 541 Cb 0.24 0.54 -0.01 0.00 -0.53 0.00 0.00 40.66 40.90 2qxs h LEU 541 CO -0.01 -0.30 -0.27 -0.08 -0.13 0.00 0.00 178.44 177.65 2qxs h GLU 542 N -0.19 0.85 -0.40 1.25 4.81 -0.88 6.73 114.58 126.76 2qxs h GLU 542 Ca 0.21 -0.38 -0.12 0.00 -0.13 0.00 0.00 59.36 58.95 2qxs h GLU 542 Cb 0.54 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2qxs h GLU 542 CO -0.63 1.01 -0.22 0.52 -0.73 0.00 0.00 179.01 178.97 2qxs h MET 543 N 0.73 0.86 0.18 1.92 2.86 -0.83 -3.27 114.93 117.39 2qxs h MET 543 Ca 0.09 -0.39 -0.32 0.00 -2.06 0.00 0.00 59.70 57.02 2qxs h MET 543 Cb 0.81 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.47 2qxs h MET 543 CO 0.07 1.03 -1.51 -0.07 1.06 0.00 0.00 176.91 177.48 2qxs h LEU 544 N 0.67 0.60 -5.42 1.22 3.38 0.69 -3.39 115.31 113.06 2qxs h LEU 544 Ca 0.09 -0.74 -0.67 0.00 0.09 0.00 0.00 57.88 56.65 2qxs h LEU 544 Cb 0.78 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2qxs h LEU 544 CO 0.06 1.60 3.52 -0.67 0.09 0.00 0.00 178.44 183.04 2qxs n ASP 545 N -3.59 6.69 -4.80 -0.43 2.03 2.16 -4.96 116.55 113.66 2qxs n ASP 545 Ca -0.17 -2.66 -0.33 0.00 0.52 0.00 0.00 54.79 52.15 2qxs n ASP 545 Cb 1.07 -1.57 0.01 0.00 -0.72 0.00 0.00 41.12 39.91 2qxs n ASP 545 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qxs s ALA 546 N 2.66 2.72 -2.52 -1.67 0.00 -1.26 -4.72 121.76 116.97 2qxs s ALA 546 Ca 0.60 0.47 0.28 0.00 0.00 0.00 0.00 51.96 53.31 2qxs s ALA 546 Cb 0.16 -3.25 1.01 0.00 0.00 0.00 0.00 23.12 21.04 2qxs s ALA 546 CO -0.07 -0.80 1.72 -2.39 0.00 0.00 0.00 175.76 174.23