#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa8 n LEU 306 N 0.00 0.71 -0.29 2.46 7.99 -1.26 -3.38 117.00 123.22 2qa8 n LEU 306 Ca 0.00 0.58 -0.03 0.00 -0.01 0.00 0.00 56.01 56.55 2qa8 n LEU 306 Cb 0.00 -0.38 0.08 0.00 -0.11 0.00 0.00 43.42 43.01 2qa8 n LEU 306 CO 0.00 -0.23 1.20 0.00 -1.51 0.00 0.00 177.39 176.85 2qa8 h ALA 307 N 2.52 1.02 0.00 -1.18 0.00 -1.99 -2.74 119.26 116.89 2qa8 h ALA 307 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2qa8 h ALA 307 Cb 0.65 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2qa8 h ALA 307 CO 0.00 0.37 -0.12 -0.07 0.00 0.00 0.00 179.25 179.43 2qa8 h LEU 308 N 1.03 0.00 -0.82 0.00 4.07 -1.96 -2.91 115.31 114.73 2qa8 h LEU 308 Ca 0.30 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.26 2qa8 h LEU 308 Cb -0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.68 2qa8 h LEU 308 CO -0.09 0.12 -0.08 -1.54 -1.08 0.00 0.00 178.44 175.77 2qa8 n SER 309 N -3.33 1.36 -4.77 -0.43 3.41 -1.03 -4.92 113.62 103.90 2qa8 n SER 309 Ca -0.00 -1.30 -0.40 0.00 -0.26 0.00 0.00 58.87 56.90 2qa8 n SER 309 Cb 0.34 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2qa8 n SER 309 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qa8 s LEU 310 N -2.17 4.27 1.09 1.04 1.02 -1.10 -5.02 118.68 117.80 2qa8 s LEU 310 Ca 0.33 2.91 -0.17 0.00 0.02 0.00 0.00 54.13 57.22 2qa8 s LEU 310 Cb 0.20 -3.77 0.24 0.00 0.02 0.00 0.00 46.19 42.89 2qa8 s LEU 310 CO 0.40 -0.90 1.19 0.42 0.02 0.00 0.00 176.35 177.48 2qa8 s THR 311 N -1.16 1.79 0.16 5.49 -4.23 -1.26 -4.84 115.64 111.58 2qa8 s THR 311 Ca 0.55 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.96 2qa8 s THR 311 Cb -0.44 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.67 2qa8 s THR 311 CO 0.58 0.00 1.50 0.00 -0.54 0.00 0.00 174.62 176.16 2qa8 h ALA 312 N -2.13 0.63 -0.74 3.99 0.00 -1.96 -1.45 119.26 117.60 2qa8 h ALA 312 Ca -0.45 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 53.96 2qa8 h ALA 312 Cb 1.27 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2qa8 h ALA 312 CO 0.38 0.67 0.24 -0.44 0.00 0.00 0.00 179.25 180.10 2qa8 h ASP 313 N 0.74 1.07 -0.01 0.00 3.32 -1.96 -1.06 116.42 118.52 2qa8 h ASP 313 Ca 0.07 -0.20 -0.15 0.00 0.02 0.00 0.00 57.03 56.76 2qa8 h ASP 313 Cb 0.94 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 2qa8 h ASP 313 CO 0.09 0.99 -0.51 1.56 -1.72 0.00 0.00 179.24 179.65 2qa8 h GLN 314 N 1.10 0.58 0.21 3.56 4.20 -1.90 -1.64 115.11 121.23 2qa8 h GLN 314 Ca 0.24 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 2qa8 h GLN 314 Cb 0.30 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2qa8 h GLN 314 CO -0.01 0.95 -0.13 1.98 -0.67 0.00 0.00 178.83 180.95 2qa8 h MET 315 N 0.45 -0.31 -0.97 1.46 4.05 -0.95 -0.74 114.93 117.91 2qa8 h MET 315 Ca 0.02 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.51 2qa8 h MET 315 Cb 1.05 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.86 2qa8 h MET 315 CO 0.10 -0.21 0.63 0.28 0.23 0.00 0.00 176.91 177.94 2qa8 h VAL 316 N -0.33 1.12 0.07 -5.77 2.07 -1.14 -1.10 116.25 111.18 2qa8 h VAL 316 Ca -0.02 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 2qa8 h VAL 316 Cb 0.27 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 2qa8 h VAL 316 CO 0.02 0.21 -0.04 0.28 0.02 0.00 0.00 177.57 178.07 2qa8 h SER 317 N 1.17 -0.08 -0.42 0.57 0.02 -1.12 -0.08 113.55 113.61 2qa8 h SER 317 Ca 0.41 -0.24 0.07 0.00 -0.84 0.00 0.00 61.79 61.19 2qa8 h SER 317 Cb 0.10 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.59 2qa8 h SER 317 CO -0.15 0.20 0.03 0.00 -1.14 0.00 0.00 176.83 175.76 2qa8 h ALA 318 N 0.53 0.41 0.26 3.77 0.00 -1.00 -0.36 119.26 122.88 2qa8 h ALA 318 Ca -0.01 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2qa8 h ALA 318 Cb 0.32 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2qa8 h ALA 318 CO 0.02 -0.37 -0.18 -0.07 0.00 0.00 0.00 179.25 178.65 2qa8 h LEU 319 N 0.14 -0.46 -1.21 0.00 3.38 -1.06 -1.35 115.31 114.75 2qa8 h LEU 319 Ca 0.21 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.29 2qa8 h LEU 319 Cb 0.29 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2qa8 h LEU 319 CO -0.32 -0.28 0.56 -0.07 0.09 0.00 0.00 178.44 178.42 2qa8 h LEU 320 N -0.44 0.81 -1.05 1.67 3.38 -0.72 -2.00 115.31 116.97 2qa8 h LEU 320 Ca -0.02 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2qa8 h LEU 320 Cb 0.37 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2qa8 h LEU 320 CO 0.01 0.50 -0.42 0.44 0.09 0.00 0.00 178.44 179.06 2qa8 h ASP 321 N 0.91 0.11 0.36 -0.43 3.32 -0.77 -2.98 116.42 116.95 2qa8 h ASP 321 Ca 0.39 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.39 2qa8 h ASP 321 Cb 0.31 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2qa8 h ASP 321 CO -0.15 0.52 -0.08 0.00 -1.72 0.00 0.00 179.24 177.81 2qa8 n ALA 322 N -2.46 2.71 -1.63 3.45 0.00 -0.54 -4.93 120.51 117.10 2qa8 n ALA 322 Ca -0.02 -0.25 -0.46 0.00 0.00 0.00 0.00 53.44 52.72 2qa8 n ALA 322 Cb 0.47 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 2qa8 n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qa8 n GLU 323 N -0.99 1.68 -1.59 0.00 -0.58 -1.13 -4.59 120.64 113.45 2qa8 n GLU 323 Ca 0.15 0.60 -0.31 0.00 -0.42 0.00 0.00 57.16 57.18 2qa8 n GLU 323 Cb 0.26 -2.17 0.05 0.00 -0.57 0.00 0.00 31.44 29.02 2qa8 n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2qa8 s PRO 324 N -0.63 2.93 0.72 3.49 0.04 -1.26 -5.04 135.00 135.24 2qa8 s PRO 324 Ca 0.68 0.92 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 2qa8 s PRO 324 Cb -0.71 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 31.86 2qa8 s PRO 324 CO 0.53 -1.10 1.08 -1.25 0.04 0.00 0.00 177.00 176.30 2qa8 s PRO 325 N -5.06 2.63 -0.19 0.56 0.04 -1.26 -5.01 135.00 126.71 2qa8 s PRO 325 Ca 0.58 1.12 -0.22 0.00 0.04 0.00 0.00 61.00 62.52 2qa8 s PRO 325 Cb -0.14 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 2qa8 s PRO 325 CO 0.55 -1.35 0.67 0.42 0.04 0.00 0.00 177.00 177.33 2qa8 s ILE 326 N -2.86 5.00 0.31 0.56 1.01 -1.26 -5.05 121.20 118.91 2qa8 s ILE 326 Ca 0.61 1.28 0.02 0.00 0.00 0.00 0.00 60.65 62.56 2qa8 s ILE 326 Cb -0.16 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 2qa8 s ILE 326 CO 0.53 0.10 0.49 -0.76 0.00 0.00 0.00 174.94 175.30 2qa8 s LEU 327 N 1.89 4.11 0.13 2.97 1.43 -1.26 -5.03 118.68 122.93 2qa8 s LEU 327 Ca 0.31 0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.71 2qa8 s LEU 327 Cb -0.16 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 2qa8 s LEU 327 CO 0.11 -0.23 0.32 -0.31 0.23 0.00 0.00 176.35 176.47 2qa8 s TYR 328 N -2.21 3.49 0.53 0.29 2.02 -1.26 -4.32 117.35 115.90 2qa8 s TYR 328 Ca 0.38 0.36 -0.19 0.00 -0.37 0.00 0.00 57.07 57.25 2qa8 s TYR 328 Cb -0.09 -1.85 -0.06 0.00 -0.40 0.00 0.00 41.96 39.55 2qa8 s TYR 328 CO 0.34 0.47 1.08 0.45 -1.57 0.00 0.00 175.55 176.32 2qa8 s SER 329 N -2.75 5.97 -0.04 2.29 0.15 -1.26 -4.95 113.70 113.11 2qa8 s SER 329 Ca 0.38 2.02 0.21 0.00 0.70 0.00 0.00 55.95 59.26 2qa8 s SER 329 Cb -0.12 -2.57 -0.28 0.00 -1.71 0.00 0.00 66.02 61.35 2qa8 s SER 329 CO 0.27 -1.04 0.47 1.21 1.20 0.00 0.00 173.24 175.35 2qa8 n GLU 330 N -1.29 0.66 -3.51 5.44 2.13 -1.26 -5.01 120.64 117.80 2qa8 n GLU 330 Ca 0.10 -0.11 -0.26 0.00 0.66 0.00 0.00 57.16 57.55 2qa8 n GLU 330 Cb 0.52 -1.57 -0.14 0.00 0.27 0.00 0.00 31.44 30.52 2qa8 n GLU 330 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2qa8 s PHE 337 N -3.27 0.14 0.41 4.31 0.08 -1.26 -5.14 117.98 113.24 2qa8 s PHE 337 Ca -0.07 -0.72 0.08 0.00 0.12 0.00 0.00 56.93 56.34 2qa8 s PHE 337 Cb 0.12 -0.80 -0.02 0.00 -0.57 0.00 0.00 43.02 41.75 2qa8 s PHE 337 CO 0.88 -0.85 0.38 -1.54 -0.10 0.00 0.00 175.22 173.99 2qa8 s SER 338 N 2.16 5.12 0.23 1.36 1.04 -1.26 -4.94 113.70 117.41 2qa8 s SER 338 Ca 0.09 -0.69 -0.07 0.00 0.48 0.00 0.00 55.95 55.76 2qa8 s SER 338 Cb -0.16 -0.63 0.38 0.00 0.10 0.00 0.00 66.02 65.71 2qa8 s SER 338 CO -0.36 -0.62 1.71 -0.08 0.98 0.00 0.00 173.24 174.87 2qa8 h GLU 339 N 1.03 0.32 -0.52 4.02 4.81 -2.00 -0.77 114.58 121.46 2qa8 h GLU 339 Ca -0.42 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.75 2qa8 h GLU 339 Cb 1.27 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2qa8 h GLU 339 CO 0.57 0.21 0.16 0.00 -0.73 0.00 0.00 179.01 179.22 2qa8 h ALA 340 N 1.52 0.68 -0.22 2.92 0.00 -1.91 -1.80 119.26 120.45 2qa8 h ALA 340 Ca 0.37 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 2qa8 h ALA 340 Cb 0.56 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2qa8 h ALA 340 CO -0.42 0.34 -0.24 0.66 0.00 0.00 0.00 179.25 179.59 2qa8 h SER 341 N 0.71 0.60 -0.34 0.00 4.64 -1.82 -0.48 113.55 116.86 2qa8 h SER 341 Ca 0.17 -0.48 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 2qa8 h SER 341 Cb 0.27 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2qa8 h SER 341 CO -0.01 0.96 0.16 -0.03 -0.87 0.00 0.00 176.83 177.04 2qa8 h MET 342 N 0.25 0.49 -0.73 4.77 -1.53 -1.15 -0.24 114.93 116.78 2qa8 h MET 342 Ca 0.03 -0.07 0.08 0.00 -3.44 0.00 0.00 59.70 56.30 2qa8 h MET 342 Cb 0.80 -0.09 -0.05 0.00 -0.55 0.00 0.00 31.60 31.71 2qa8 h MET 342 CO 0.06 0.45 0.48 0.52 0.14 0.00 0.00 176.91 178.55 2qa8 h MET 343 N 0.41 0.69 -0.11 0.39 2.07 -1.30 -1.81 114.93 115.26 2qa8 h MET 343 Ca 0.12 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.70 2qa8 h MET 343 Cb 0.12 -0.15 -0.00 0.00 -1.87 0.00 0.00 31.60 29.69 2qa8 h MET 343 CO -0.01 0.45 0.05 0.78 1.07 0.00 0.00 176.91 179.25 2qa8 h GLY 344 N 0.71 0.16 0.36 8.32 0.00 0.22 -1.59 103.07 111.24 2qa8 h GLY 344 Ca 0.32 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.59 2qa8 h GLY 344 CO -0.11 0.07 -0.39 1.41 0.00 0.00 0.00 176.54 177.52 2qa8 h LEU 345 N 0.06 -1.13 -0.48 3.11 4.07 -0.70 0.87 115.31 121.10 2qa8 h LEU 345 Ca 0.04 0.12 0.05 0.00 0.08 0.00 0.00 57.88 58.17 2qa8 h LEU 345 Cb 0.10 0.42 -0.05 0.00 1.08 0.00 0.00 40.66 42.22 2qa8 h LEU 345 CO -0.00 -0.48 0.22 -0.07 -1.08 0.00 0.00 178.44 177.03 2qa8 h LEU 346 N -0.65 0.29 -0.45 1.67 4.07 -1.29 -0.91 115.31 118.04 2qa8 h LEU 346 Ca 0.02 0.04 -0.17 0.00 0.08 0.00 0.00 57.88 57.84 2qa8 h LEU 346 Cb 0.66 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 2qa8 h LEU 346 CO -0.21 0.21 -0.76 0.71 -1.08 0.00 0.00 178.44 177.31 2qa8 h THR 347 N 0.43 1.46 -0.20 0.22 1.35 -1.18 -1.93 112.91 113.06 2qa8 h THR 347 Ca 0.22 -2.37 -0.03 0.00 -0.55 0.00 0.00 66.41 63.68 2qa8 h THR 347 Cb 0.16 2.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 2qa8 h THR 347 CO -0.17 0.69 0.02 -1.13 -0.25 0.00 0.00 175.52 174.68 2qa8 h ASN 348 N 0.12 0.32 -0.09 5.36 -0.73 -0.54 -1.62 115.58 118.40 2qa8 h ASN 348 Ca -0.03 -0.27 0.04 0.00 1.87 0.00 0.00 56.30 57.91 2qa8 h ASN 348 Cb 1.33 -0.09 -0.06 0.00 0.27 0.00 0.00 38.32 39.78 2qa8 h ASN 348 CO 0.11 0.52 -0.31 0.25 -0.37 0.00 0.00 177.43 177.63 2qa8 h LEU 349 N 0.12 -0.96 -1.09 0.34 5.85 -1.13 -2.15 115.31 116.28 2qa8 h LEU 349 Ca 0.06 0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.99 2qa8 h LEU 349 Cb 0.34 0.40 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 2qa8 h LEU 349 CO 0.01 -0.36 0.61 0.00 -0.34 0.00 0.00 178.44 178.36 2qa8 h ALA 350 N 0.39 1.48 -0.53 1.25 0.00 -1.29 0.13 119.26 120.69 2qa8 h ALA 350 Ca 0.08 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2qa8 h ALA 350 Cb 0.54 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2qa8 h ALA 350 CO -0.32 0.36 -0.02 0.22 0.00 0.00 0.00 179.25 179.49 2qa8 h ASP 351 N 1.07 0.93 -0.27 0.00 3.58 -0.97 0.27 116.42 121.04 2qa8 h ASP 351 Ca 0.41 -0.32 -0.16 0.00 0.42 0.00 0.00 57.03 57.39 2qa8 h ASP 351 Cb 0.22 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 2qa8 h ASP 351 CO -0.17 1.02 -0.44 0.03 -2.88 0.00 0.00 179.24 176.81 2qa8 h ARG 352 N 0.82 0.84 -0.63 0.28 3.08 -0.66 -3.15 114.38 114.96 2qa8 h ARG 352 Ca 0.15 -0.47 -0.05 0.00 0.07 0.00 0.00 59.98 59.68 2qa8 h ARG 352 Cb 0.56 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 2qa8 h ARG 352 CO 0.03 1.10 0.18 0.93 -1.07 0.00 0.00 179.97 181.15 2qa8 h GLU 353 N 0.67 0.97 -0.80 0.04 5.08 -0.57 -3.02 114.58 116.95 2qa8 h GLU 353 Ca 0.04 -0.20 0.16 0.00 -1.00 0.00 0.00 59.36 58.37 2qa8 h GLU 353 Cb 1.02 -0.15 -0.10 0.00 0.50 0.00 0.00 28.75 30.02 2qa8 h GLU 353 CO 0.10 0.84 0.32 -0.07 -1.00 0.00 0.00 179.01 179.20 2qa8 h LEU 354 N 0.94 0.28 -0.77 1.33 3.38 -0.90 0.16 115.31 119.73 2qa8 h LEU 354 Ca 0.21 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.23 2qa8 h LEU 354 Cb 0.29 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2qa8 h LEU 354 CO -0.01 0.08 0.19 0.58 0.09 0.00 0.00 178.44 179.37 2qa8 h VAL 355 N 0.43 1.26 0.00 1.22 2.07 -1.56 -2.15 116.25 117.52 2qa8 h VAL 355 Ca 0.45 -0.94 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 2qa8 h VAL 355 Cb 0.73 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2qa8 h VAL 355 CO -0.44 0.36 -0.44 0.45 0.02 0.00 0.00 177.57 177.52 2qa8 h HIS 356 N 1.06 0.00 -0.60 1.57 3.86 -1.19 -3.03 115.15 116.82 2qa8 h HIS 356 Ca 0.22 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.36 2qa8 h HIS 356 Cb 0.35 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 2qa8 h HIS 356 CO 0.03 0.44 0.08 1.98 0.86 0.00 0.00 177.93 181.32 2qa8 h MET 357 N 0.00 0.97 -0.64 2.45 -1.53 -0.24 -1.49 114.93 114.46 2qa8 h MET 357 Ca -0.00 -0.25 -0.05 0.00 -3.44 0.00 0.00 59.70 55.96 2qa8 h MET 357 Cb 1.00 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.90 2qa8 h MET 357 CO 0.06 0.91 0.20 0.82 0.14 0.00 0.00 176.91 179.04 2qa8 h ILE 358 N 0.91 1.24 -0.46 1.77 2.04 -1.29 0.16 117.51 121.89 2qa8 h ILE 358 Ca 0.18 -0.82 -0.09 0.00 1.00 0.00 0.00 64.86 65.13 2qa8 h ILE 358 Cb 0.42 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2qa8 h ILE 358 CO 0.01 0.32 -0.06 0.78 0.00 0.00 0.00 178.15 179.20 2qa8 h ASN 359 N 0.94 0.84 -0.39 1.72 2.35 -1.40 -2.78 115.58 116.87 2qa8 h ASN 359 Ca 0.21 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 2qa8 h ASN 359 Cb 0.27 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 2qa8 h ASN 359 CO -0.01 0.98 0.25 -0.25 -1.65 0.00 0.00 177.43 176.75 2qa8 h TRP 360 N 0.69 0.51 -0.55 1.19 7.01 -0.84 -3.15 115.95 120.80 2qa8 h TRP 360 Ca 0.12 0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.20 2qa8 h TRP 360 Cb 0.58 -0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 27.41 2qa8 h TRP 360 CO 0.04 0.35 0.21 0.00 -2.79 0.00 0.00 178.44 176.25 2qa8 h ALA 361 N 1.12 0.68 0.00 2.65 0.00 -0.49 0.49 119.26 123.71 2qa8 h ALA 361 Ca 0.14 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2qa8 h ALA 361 Cb -0.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2qa8 h ALA 361 CO -0.03 -0.19 0.00 0.87 0.00 0.00 0.00 179.25 179.90 2qa8 h LYS 362 N 0.39 0.00 -0.01 0.00 6.56 -1.47 -1.05 116.57 120.99 2qa8 h LYS 362 Ca 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.86 2qa8 h LYS 362 Cb 0.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 2qa8 h LYS 362 CO -0.26 0.00 -0.21 0.54 -2.06 0.00 0.00 179.45 177.46 2qa8 n ARG 363 N -2.69 1.36 -2.66 3.15 1.74 0.17 -4.56 116.66 113.16 2qa8 n ARG 363 Ca -0.02 -0.96 -0.43 0.00 -0.77 0.00 0.00 57.85 55.68 2qa8 n ARG 363 Cb 0.09 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.03 2qa8 n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qa8 s VAL 364 N -2.30 4.60 0.16 1.55 1.01 -0.40 -4.86 120.40 120.17 2qa8 s VAL 364 Ca 0.27 1.84 -0.33 0.00 0.00 0.00 0.00 61.98 63.76 2qa8 s VAL 364 Cb 0.19 -4.35 -0.16 0.00 0.00 0.00 0.00 36.38 32.07 2qa8 s VAL 364 CO 0.46 -0.33 1.24 -2.65 0.00 0.00 0.00 175.10 173.81 2qa8 n PRO 365 N 6.59 1.30 0.00 2.72 -0.02 -1.26 -1.29 135.00 143.04 2qa8 n PRO 365 Ca 0.12 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2qa8 n PRO 365 Cb 0.47 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2qa8 n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qa8 n GLY 366 N 2.17 2.92 0.30 -1.23 0.00 -1.26 -4.88 105.19 103.20 2qa8 n GLY 366 Ca 0.15 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 2qa8 n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qa8 h PHE 367 N 0.00 -0.73 -0.12 1.61 3.57 -1.47 -0.19 116.94 119.60 2qa8 h PHE 367 Ca 0.00 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.55 2qa8 h PHE 367 Cb 0.00 0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 2qa8 h PHE 367 CO 0.00 -0.37 0.25 -0.24 -2.23 0.00 0.00 178.31 175.72 2qa8 h VAL 368 N -0.46 0.21 0.00 1.41 3.04 -1.80 0.32 116.25 118.97 2qa8 h VAL 368 Ca 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.73 2qa8 h VAL 368 Cb 0.51 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 2qa8 h VAL 368 CO -0.19 0.00 0.00 0.44 -1.01 0.00 0.00 177.57 176.81 2qa8 h ASP 369 N 0.00 0.00 -3.93 3.17 3.32 -1.39 -3.45 116.42 114.14 2qa8 h ASP 369 Ca 0.06 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.62 2qa8 h ASP 369 Cb 0.56 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.13 2qa8 h ASP 369 CO -0.00 0.00 0.24 -0.76 -1.72 0.00 0.00 179.24 177.00 2qa8 s LEU 370 N -4.68 3.72 0.58 1.55 1.43 0.11 -5.05 118.68 116.33 2qa8 s LEU 370 Ca 0.05 1.32 -0.18 0.00 -1.03 0.00 0.00 54.13 54.30 2qa8 s LEU 370 Cb 0.10 -4.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 2qa8 s LEU 370 CO 0.45 -0.50 1.12 0.42 0.23 0.00 0.00 176.35 178.08 2qa8 s THR 371 N -2.51 3.20 0.48 5.49 -4.23 -1.26 -4.81 115.64 112.00 2qa8 s THR 371 Ca 0.55 0.69 0.20 0.00 -1.18 0.00 0.00 61.69 61.94 2qa8 s THR 371 Cb -0.10 -3.24 0.37 0.00 1.34 0.00 0.00 72.50 70.87 2qa8 s THR 371 CO 0.32 -0.22 1.98 0.25 -0.54 0.00 0.00 174.62 176.41 2qa8 h LEU 372 N 0.85 0.17 -0.62 4.79 5.85 -1.96 0.74 115.31 125.14 2qa8 h LEU 372 Ca -0.49 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.09 2qa8 h LEU 372 Cb 1.26 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 2qa8 h LEU 372 CO 0.56 0.10 -0.65 0.45 -0.34 0.00 0.00 178.44 178.56 2qa8 h HIS 373 N 0.19 0.24 -0.32 1.25 -0.00 -2.00 -1.93 115.15 112.58 2qa8 h HIS 373 Ca 0.27 -0.10 -0.15 0.00 -0.00 0.00 0.00 60.37 60.40 2qa8 h HIS 373 Cb 0.81 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 28.18 2qa8 h HIS 373 CO -0.00 0.78 -0.37 -0.44 -0.00 0.00 0.00 177.93 177.90 2qa8 h ASP 374 N 0.13 0.88 -0.66 2.45 3.32 -1.25 -1.97 116.42 119.32 2qa8 h ASP 374 Ca -0.01 -0.48 0.02 0.00 0.02 0.00 0.00 57.03 56.58 2qa8 h ASP 374 Cb 1.17 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.43 2qa8 h ASP 374 CO 0.10 1.19 0.42 1.56 -1.72 0.00 0.00 179.24 180.79 2qa8 h GLN 375 N 0.59 0.81 0.19 3.56 4.20 -1.12 0.36 115.11 123.71 2qa8 h GLN 375 Ca 0.04 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2qa8 h GLN 375 Cb 0.96 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2qa8 h GLN 375 CO 0.09 0.54 -0.09 0.28 -0.67 0.00 0.00 178.83 178.98 2qa8 h VAL 376 N 0.84 0.85 -0.65 -0.54 2.07 -1.35 -1.26 116.25 116.21 2qa8 h VAL 376 Ca 0.26 -0.19 0.11 0.00 0.82 0.00 0.00 66.70 67.70 2qa8 h VAL 376 Cb -0.02 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 2qa8 h VAL 376 CO -0.09 0.04 0.22 -0.74 0.02 0.00 0.00 177.57 177.02 2qa8 h HIS 377 N -0.35 0.37 -0.51 1.57 -0.00 -1.07 0.12 115.15 115.28 2qa8 h HIS 377 Ca -0.03 0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 60.26 2qa8 h HIS 377 Cb 0.27 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.60 2qa8 h HIS 377 CO -0.04 0.05 -0.12 -0.07 -0.00 0.00 0.00 177.93 177.75 2qa8 h LEU 378 N 0.37 0.99 -0.29 0.26 3.38 -0.74 -2.11 115.31 117.18 2qa8 h LEU 378 Ca 0.34 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2qa8 h LEU 378 Cb 0.48 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2qa8 h LEU 378 CO -0.37 1.12 -0.15 -0.07 0.09 0.00 0.00 178.44 179.06 2qa8 h LEU 379 N 0.85 0.63 -1.28 1.67 3.38 -0.89 -1.77 115.31 117.90 2qa8 h LEU 379 Ca 0.13 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2qa8 h LEU 379 Cb 0.69 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2qa8 h LEU 379 CO 0.05 0.91 0.29 -0.33 0.09 0.00 0.00 178.44 179.45 2qa8 h GLU 380 N 0.35 0.78 -0.15 1.13 5.08 -0.72 0.92 114.58 121.98 2qa8 h GLU 380 Ca 0.06 -0.09 -0.20 0.00 -1.00 0.00 0.00 59.36 58.13 2qa8 h GLU 380 Cb 0.68 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.78 2qa8 h GLU 380 CO 0.04 0.59 -0.69 0.00 -1.00 0.00 0.00 179.01 177.96 2qa8 n ALA 382 N -2.59 4.17 -0.25 0.00 0.00 -0.67 -4.70 120.51 116.48 2qa8 n ALA 382 Ca -0.07 -0.48 0.04 0.00 0.00 0.00 0.00 53.44 52.92 2qa8 n ALA 382 Cb 0.70 -0.62 0.17 0.00 0.00 0.00 0.00 19.45 19.70 2qa8 n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2qa8 h TRP 383 N 0.09 0.49 0.02 0.00 5.08 -1.02 0.30 115.95 120.92 2qa8 h TRP 383 Ca 0.00 0.03 -0.21 0.00 1.08 0.00 0.00 58.89 59.79 2qa8 h TRP 383 Cb 0.41 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 26.45 2qa8 h TRP 383 CO 0.00 0.08 -0.95 1.25 -1.28 0.00 0.00 178.44 177.54 2qa8 h LEU 384 N 0.44 0.25 -0.12 0.11 5.85 -1.85 -1.77 115.31 118.22 2qa8 h LEU 384 Ca 0.39 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.92 2qa8 h LEU 384 Cb 0.56 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2qa8 h LEU 384 CO -0.38 1.06 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.41 2qa8 h GLU 385 N 0.09 -0.03 -0.54 1.25 5.08 -1.62 -0.13 114.58 118.67 2qa8 h GLU 385 Ca -0.05 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 2qa8 h GLU 385 Cb 1.62 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.82 2qa8 h GLU 385 CO 0.14 -0.02 0.22 0.82 -1.00 0.00 0.00 179.01 179.18 2qa8 h ILE 386 N -0.03 0.85 -0.55 3.13 2.04 -0.85 -1.36 117.51 120.74 2qa8 h ILE 386 Ca 0.06 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 2qa8 h ILE 386 Cb 0.12 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2qa8 h ILE 386 CO -0.14 0.08 0.25 -0.07 0.00 0.00 0.00 178.15 178.27 2qa8 h LEU 387 N 0.42 0.73 -0.50 1.44 3.38 -1.10 -2.52 115.31 117.16 2qa8 h LEU 387 Ca 0.26 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 2qa8 h LEU 387 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2qa8 h LEU 387 CO -0.24 0.67 -0.50 0.24 0.09 0.00 0.00 178.44 178.70 2qa8 h MET 388 N 0.74 0.66 -0.58 1.13 2.86 -0.74 -0.35 114.93 118.65 2qa8 h MET 388 Ca 0.19 -0.39 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 2qa8 h MET 388 Cb 0.14 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 2qa8 h MET 388 CO -0.02 1.00 0.12 0.97 1.06 0.00 0.00 176.91 180.04 2qa8 h ILE 389 N 0.51 1.24 0.10 -1.22 2.10 -1.21 0.55 117.51 119.58 2qa8 h ILE 389 Ca 0.02 -0.88 -0.01 0.00 1.08 0.00 0.00 64.86 65.07 2qa8 h ILE 389 Cb 1.05 0.66 0.00 0.00 -1.09 0.00 0.00 36.82 37.44 2qa8 h ILE 389 CO 0.10 0.33 -0.05 1.23 -1.08 0.00 0.00 178.15 178.68 2qa8 h GLY 390 N 1.00 -0.14 0.10 8.18 0.00 -1.15 -0.59 103.07 110.47 2qa8 h GLY 390 Ca 0.18 0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.64 2qa8 h GLY 390 CO 0.00 -0.05 -0.20 -2.00 0.00 0.00 0.00 176.54 174.29 2qa8 h LEU 391 N -0.23 -0.67 -0.69 3.11 5.85 -0.68 0.12 115.31 122.11 2qa8 h LEU 391 Ca -0.01 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2qa8 h LEU 391 Cb 0.19 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2qa8 h LEU 391 CO 0.02 -0.23 0.26 1.62 -0.34 0.00 0.00 178.44 179.77 2qa8 h VAL 392 N -0.16 1.25 0.11 1.05 3.04 -0.78 0.03 116.25 120.80 2qa8 h VAL 392 Ca 0.17 -0.80 0.02 0.00 -1.01 0.00 0.00 66.70 65.08 2qa8 h VAL 392 Cb 0.42 0.47 -0.03 0.00 -2.01 0.00 0.00 31.29 30.13 2qa8 h VAL 392 CO -0.43 0.32 -0.25 -0.25 -1.01 0.00 0.00 177.57 175.94 2qa8 h TRP 393 N 1.00 -0.68 0.00 3.17 2.91 -0.66 -2.66 115.95 119.03 2qa8 h TRP 393 Ca 0.23 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.26 2qa8 h TRP 393 Cb 0.24 0.28 0.00 0.00 -0.51 0.00 0.00 29.16 29.17 2qa8 h TRP 393 CO 0.02 -0.35 0.00 0.07 -1.03 0.00 0.00 178.44 177.14 2qa8 h ARG 394 N -0.45 0.00 0.00 2.65 0.11 -0.64 -2.29 114.38 113.76 2qa8 h ARG 394 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 2qa8 h ARG 394 Cb 0.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.56 2qa8 h ARG 394 CO -0.15 0.00 0.00 0.43 0.10 0.00 0.00 179.97 180.35 2qa8 n SER 395 N -2.54 0.08 -0.29 0.08 7.64 -0.03 -4.34 113.62 114.22 2qa8 n SER 395 Ca 0.02 0.51 0.09 0.00 1.01 0.00 0.00 58.87 60.50 2qa8 n SER 395 Cb 0.31 -0.53 0.25 0.00 -1.01 0.00 0.00 64.21 63.23 2qa8 n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2qa8 h MET 396 N 0.00 0.49 -0.90 1.43 2.86 -1.07 0.21 114.93 117.94 2qa8 h MET 396 Ca 0.00 -0.03 -0.36 0.00 -2.06 0.00 0.00 59.70 57.25 2qa8 h MET 396 Cb 0.52 -0.11 -0.21 0.00 0.06 0.00 0.00 31.60 31.86 2qa8 h MET 396 CO 0.00 0.32 0.46 -0.85 1.06 0.00 0.00 176.91 177.90 2qa8 n GLU 397 N -4.97 2.81 -3.26 1.72 0.28 -1.26 -4.35 120.64 111.61 2qa8 n GLU 397 Ca 0.18 -2.85 -0.25 0.00 -0.16 0.00 0.00 57.16 54.09 2qa8 n GLU 397 Cb 0.51 -2.13 -0.07 0.00 1.43 0.00 0.00 31.44 31.18 2qa8 n GLU 397 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2qa8 n HIS 398 N -0.62 0.55 -1.67 -1.84 8.25 0.72 -5.11 115.22 115.50 2qa8 n HIS 398 Ca 0.48 -3.69 -0.44 0.00 -0.26 0.00 0.00 57.72 53.81 2qa8 n HIS 398 Cb 1.48 -0.37 -0.02 0.00 1.12 0.00 0.00 29.99 32.21 2qa8 n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2qa8 n PRO 399 N 1.37 1.98 -0.89 -0.41 -0.02 -1.26 -0.81 135.00 134.97 2qa8 n PRO 399 Ca 0.23 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 2qa8 n PRO 399 Cb 0.50 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2qa8 n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qa8 n GLY 400 N 1.51 0.42 3.19 -1.23 0.00 -1.26 -4.99 105.19 102.83 2qa8 n GLY 400 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 2qa8 n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qa8 s LYS 401 N -0.66 0.88 -0.29 1.61 1.02 0.01 -4.37 119.74 117.94 2qa8 s LYS 401 Ca 0.00 -1.08 -0.03 0.00 0.02 0.00 0.00 55.97 54.88 2qa8 s LYS 401 Cb 0.00 -0.77 0.04 0.00 -0.52 0.00 0.00 37.83 36.57 2qa8 s LYS 401 CO 0.00 0.15 0.01 -0.51 -0.92 0.00 0.00 175.35 174.08 2qa8 s LEU 402 N -2.11 3.73 -1.26 3.17 1.43 0.31 -4.79 118.68 119.16 2qa8 s LEU 402 Ca 0.03 -1.06 -0.16 0.00 -1.03 0.00 0.00 54.13 51.91 2qa8 s LEU 402 Cb -0.07 -1.74 0.12 0.00 0.03 0.00 0.00 46.19 44.53 2qa8 s LEU 402 CO 0.02 -0.22 1.62 -0.11 0.23 0.00 0.00 176.35 177.89 2qa8 n LEU 403 N 4.69 5.20 -0.33 1.79 0.00 -1.26 -1.22 117.00 125.87 2qa8 n LEU 403 Ca -0.14 -4.20 -0.03 0.00 0.00 0.00 0.00 56.01 51.63 2qa8 n LEU 403 Cb 0.45 -1.68 0.09 0.00 0.00 0.00 0.00 43.42 42.28 2qa8 n LEU 403 CO 0.28 0.49 1.24 -0.26 0.00 0.00 0.00 177.39 179.14 2qa8 h PHE 404 N 7.24 1.13 -3.57 1.96 0.04 -1.71 -3.43 116.94 118.59 2qa8 h PHE 404 Ca 0.39 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 61.12 2qa8 h PHE 404 Cb 0.85 -0.38 -0.12 0.00 2.20 0.00 0.00 35.95 38.51 2qa8 h PHE 404 CO 1.27 0.72 -0.14 0.00 -0.60 0.00 0.00 178.31 179.56 2qa8 s ALA 405 N -6.09 -0.52 0.52 2.45 0.00 -1.02 -4.91 121.76 112.20 2qa8 s ALA 405 Ca -0.13 -0.49 0.29 0.00 0.00 0.00 0.00 51.96 51.63 2qa8 s ALA 405 Cb 0.17 0.82 1.71 0.00 0.00 0.00 0.00 23.12 25.81 2qa8 s ALA 405 CO 0.80 -0.71 2.19 -1.35 0.00 0.00 0.00 175.76 176.70 2qa8 h PRO 406 N 2.38 0.00 -0.40 0.00 0.11 -1.88 -1.54 132.00 130.67 2qa8 h PRO 406 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2qa8 h PRO 406 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2qa8 h PRO 406 CO 0.44 0.05 0.00 0.27 -0.21 0.00 0.00 178.00 178.54 2qa8 n ASN 407 N -3.73 4.58 -3.32 -2.05 6.94 -1.26 -4.73 115.26 111.69 2qa8 n ASN 407 Ca -0.03 -2.91 -0.22 0.00 -0.02 0.00 0.00 54.58 51.40 2qa8 n ASN 407 Cb 0.14 -0.59 -0.08 0.00 -2.36 0.00 0.00 39.78 36.89 2qa8 n ASN 407 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2qa8 s LEU 408 N -2.67 0.62 -0.32 -4.53 2.96 -0.58 -4.86 118.68 109.30 2qa8 s LEU 408 Ca 0.47 -2.40 -0.02 0.00 -0.22 0.00 0.00 54.13 51.96 2qa8 s LEU 408 Cb 0.36 0.10 0.06 0.00 0.50 0.00 0.00 46.19 47.21 2qa8 s LEU 408 CO 0.13 -0.20 0.03 -0.22 -1.32 0.00 0.00 176.35 174.77 2qa8 s LEU 409 N 0.66 4.13 0.05 -0.68 2.96 -1.26 -1.87 118.68 122.68 2qa8 s LEU 409 Ca 0.26 -1.42 0.06 0.00 -0.22 0.00 0.00 54.13 52.81 2qa8 s LEU 409 Cb -0.06 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 2qa8 s LEU 409 CO -0.10 -0.31 -0.14 -0.76 -1.32 0.00 0.00 176.35 173.73 2qa8 s LEU 410 N 1.22 2.84 0.52 -0.68 1.43 -0.36 -4.90 118.68 118.75 2qa8 s LEU 410 Ca -0.03 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 2qa8 s LEU 410 Cb -0.20 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.38 2qa8 s LEU 410 CO -0.02 0.25 0.26 1.51 0.23 0.00 0.00 176.35 178.58 2qa8 s ASP 411 N -1.60 4.46 0.58 2.29 1.47 -1.26 -0.53 116.67 122.08 2qa8 s ASP 411 Ca 0.17 -1.36 0.28 0.00 1.18 0.00 0.00 52.55 52.81 2qa8 s ASP 411 Cb -0.11 0.38 1.73 0.00 -0.34 0.00 0.00 42.92 44.58 2qa8 s ASP 411 CO 0.08 -0.98 2.23 0.08 0.68 0.00 0.00 175.17 177.25 2qa8 h ARG 412 N 0.99 0.00 0.00 2.11 0.11 -1.96 -1.42 114.38 114.22 2qa8 h ARG 412 Ca -0.40 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.62 2qa8 h ARG 412 Cb 1.30 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.37 2qa8 h ARG 412 CO 0.63 0.00 -0.33 -0.91 0.10 0.00 0.00 179.97 179.47 2qa8 h ASN 413 N 0.00 0.00 1.28 0.08 -0.26 -1.96 -1.84 115.58 112.88 2qa8 h ASN 413 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 2qa8 h ASN 413 Cb 0.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 2qa8 h ASN 413 CO -0.00 0.33 -0.33 1.56 -1.06 0.00 0.00 177.43 177.93 2qa8 h GLN 414 N 0.00 0.00 -0.02 0.81 4.20 -1.65 -3.25 115.11 115.20 2qa8 h GLN 414 Ca -0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 2qa8 h GLN 414 Cb 0.70 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 2qa8 h GLN 414 CO 0.04 0.00 -0.67 0.78 -0.67 0.00 0.00 178.83 178.31 2qa8 h GLY 415 N 4.39 0.11 1.84 3.46 0.00 -1.19 -3.18 103.07 108.50 2qa8 h GLY 415 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2qa8 h GLY 415 CO 0.00 0.14 0.00 0.58 0.00 0.00 0.00 176.54 177.26 2qa8 n LYS 416 N -3.78 0.05 0.22 4.80 2.85 -1.15 -2.12 118.16 119.04 2qa8 n LYS 416 Ca -0.02 0.28 0.07 0.00 -1.05 0.00 0.00 58.31 57.60 2qa8 n LYS 416 Cb 0.66 -1.50 0.53 0.00 -0.65 0.00 0.00 35.03 34.07 2qa8 n LYS 416 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2qa8 s VAL 418 N -4.23 2.73 0.18 0.00 1.01 -0.90 -4.06 120.40 115.13 2qa8 s VAL 418 Ca -0.03 -0.81 -0.33 0.00 0.00 0.00 0.00 61.98 60.81 2qa8 s VAL 418 Cb 0.14 -2.08 -0.14 0.00 0.00 0.00 0.00 36.38 34.30 2qa8 s VAL 418 CO 0.66 0.56 1.58 1.21 0.00 0.00 0.00 175.10 179.10 2qa8 n GLU 419 N 3.05 2.22 -0.57 2.72 2.13 -1.26 -2.21 120.64 126.72 2qa8 n GLU 419 Ca -0.18 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.44 2qa8 n GLU 419 Cb 0.52 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.67 2qa8 n GLU 419 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qa8 n GLY 420 N 3.31 0.99 0.10 8.31 0.00 -1.26 -4.89 105.19 111.75 2qa8 n GLY 420 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 2qa8 n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2qa8 h MET 421 N 1.68 0.24 -0.61 1.61 -1.53 -1.66 -3.33 114.93 111.34 2qa8 h MET 421 Ca 0.00 -0.41 0.05 0.00 -3.44 0.00 0.00 59.70 55.89 2qa8 h MET 421 Cb 0.00 0.15 -0.04 0.00 -0.55 0.00 0.00 31.60 31.17 2qa8 h MET 421 CO 0.00 1.16 0.40 -0.24 0.14 0.00 0.00 176.91 178.37 2qa8 h VAL 422 N 0.07 1.05 -0.60 -5.77 3.04 -1.75 -0.51 116.25 111.77 2qa8 h VAL 422 Ca -0.16 -0.23 0.03 0.00 -1.01 0.00 0.00 66.70 65.33 2qa8 h VAL 422 Cb 1.97 0.32 -0.04 0.00 -2.01 0.00 0.00 31.29 31.53 2qa8 h VAL 422 CO 0.18 0.12 0.36 -0.33 -1.01 0.00 0.00 177.57 176.90 2qa8 h GLU 423 N 0.67 0.69 -0.05 4.17 3.07 -1.94 0.65 114.58 121.84 2qa8 h GLU 423 Ca 0.25 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 2qa8 h GLU 423 Cb 0.16 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 2qa8 h GLU 423 CO -0.07 0.46 -0.00 0.82 -1.40 0.00 0.00 179.01 178.81 2qa8 h ILE 424 N 0.71 1.26 -0.62 3.13 2.04 -1.41 -2.50 117.51 120.12 2qa8 h ILE 424 Ca 0.24 -0.79 0.13 0.00 1.00 0.00 0.00 64.86 65.44 2qa8 h ILE 424 Cb 0.04 1.68 -0.12 0.00 -0.74 0.00 0.00 36.82 37.68 2qa8 h ILE 424 CO -0.11 0.22 -0.13 -0.26 0.00 0.00 0.00 178.15 177.87 2qa8 h PHE 425 N -0.21 -0.28 -0.90 1.37 -1.00 -0.96 -0.52 116.94 114.44 2qa8 h PHE 425 Ca 0.01 0.05 0.02 0.00 2.81 0.00 0.00 57.97 60.87 2qa8 h PHE 425 Cb 0.34 0.22 -0.05 0.00 3.61 0.00 0.00 35.95 40.07 2qa8 h PHE 425 CO 0.04 -0.25 0.59 -0.44 -1.61 0.00 0.00 178.31 176.64 2qa8 h ASP 426 N 0.02 1.01 -0.19 2.17 3.32 -0.78 0.17 116.42 122.13 2qa8 h ASP 426 Ca 0.31 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 2qa8 h ASP 426 Cb 0.48 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2qa8 h ASP 426 CO -0.62 0.72 0.07 0.24 -1.72 0.00 0.00 179.24 177.92 2qa8 h MET 427 N 1.19 0.30 -0.55 3.56 2.86 -1.07 -1.02 114.93 120.19 2qa8 h MET 427 Ca 0.34 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.90 2qa8 h MET 427 Cb -0.08 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 2qa8 h MET 427 CO -0.09 0.38 0.25 -0.07 1.06 0.00 0.00 176.91 178.44 2qa8 h LEU 428 N 0.15 0.70 -0.50 1.22 3.38 -0.55 -1.16 115.31 118.55 2qa8 h LEU 428 Ca 0.06 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2qa8 h LEU 428 Cb 0.20 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2qa8 h LEU 428 CO -0.00 0.61 -0.24 -0.07 0.09 0.00 0.00 178.44 178.83 2qa8 h LEU 429 N 0.78 1.00 -0.94 1.67 3.38 -0.63 -2.03 115.31 118.54 2qa8 h LEU 429 Ca 0.19 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 2qa8 h LEU 429 Cb 0.11 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2qa8 h LEU 429 CO -0.02 1.18 -0.07 0.00 0.09 0.00 0.00 178.44 179.61 2qa8 h ALA 430 N 0.88 1.11 -0.21 1.53 0.00 -0.64 -1.34 119.26 120.60 2qa8 h ALA 430 Ca 0.10 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 2qa8 h ALA 430 Cb 0.82 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2qa8 h ALA 430 CO 0.07 0.56 -0.51 1.15 0.00 0.00 0.00 179.25 180.51 2qa8 h THR 431 N 0.64 1.31 -0.36 0.00 2.02 -1.03 -0.75 112.91 114.75 2qa8 h THR 431 Ca 0.12 -1.74 -0.11 0.00 0.77 0.00 0.00 66.41 65.45 2qa8 h THR 431 Cb 0.51 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 2qa8 h THR 431 CO 0.03 0.54 -0.22 -1.28 0.37 0.00 0.00 175.52 174.96 2qa8 h SER 432 N 0.46 0.81 -0.50 4.18 0.87 -1.25 -1.22 113.55 116.90 2qa8 h SER 432 Ca 0.02 -0.43 -0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2qa8 h SER 432 Cb 1.05 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.76 2qa8 h SER 432 CO 0.10 1.06 0.30 -1.28 -0.53 0.00 0.00 176.83 176.48 2qa8 h SER 433 N 0.56 0.60 -0.26 6.23 0.87 -1.04 -1.81 113.55 118.71 2qa8 h SER 433 Ca 0.07 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.54 2qa8 h SER 433 Cb 0.78 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 2qa8 h SER 433 CO 0.06 0.47 -0.10 -0.09 -0.53 0.00 0.00 176.83 176.64 2qa8 h ARG 434 N 0.70 0.52 -0.60 2.24 9.65 -0.68 -0.31 114.38 125.91 2qa8 h ARG 434 Ca 0.18 -0.22 0.04 0.00 -1.10 0.00 0.00 59.98 58.89 2qa8 h ARG 434 Cb -0.02 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 2qa8 h ARG 434 CO -0.03 0.76 0.40 0.74 2.80 0.00 0.00 179.97 184.63 2qa8 h PHE 435 N 0.25 0.65 0.09 2.20 0.04 -1.07 -2.24 116.94 116.88 2qa8 h PHE 435 Ca 0.06 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 2qa8 h PHE 435 Cb 0.59 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.52 2qa8 h PHE 435 CO 0.06 0.37 -0.04 -0.09 -0.60 0.00 0.00 178.31 178.01 2qa8 h ARG 436 N 0.67 -0.12 -0.71 1.51 2.43 -0.96 0.68 114.38 117.87 2qa8 h ARG 436 Ca 0.24 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.52 2qa8 h ARG 436 Cb 0.13 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 2qa8 h ARG 436 CO -0.07 0.32 0.47 0.00 -1.51 0.00 0.00 179.97 179.18 2qa8 h MET 437 N -0.61 0.57 0.00 0.20 -0.00 -1.03 -0.63 114.93 113.43 2qa8 h MET 437 Ca -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 2qa8 h MET 437 Cb 0.50 -0.13 0.00 0.00 -0.00 0.00 0.00 31.60 31.97 2qa8 h MET 437 CO 0.02 0.38 -0.13 -1.33 -0.00 0.00 0.00 176.91 175.85 2qa8 n MET 438 N -4.49 0.07 -3.71 -0.10 2.81 -0.85 -4.96 117.12 105.89 2qa8 n MET 438 Ca 0.12 0.05 -0.26 0.00 -1.81 0.00 0.00 57.70 55.80 2qa8 n MET 438 Cb 0.35 -1.57 0.03 0.00 -0.71 0.00 0.00 33.22 31.32 2qa8 n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2qa8 n ASN 439 N -1.69 -2.96 -4.73 7.83 5.15 0.06 -4.87 115.26 114.05 2qa8 n ASN 439 Ca 0.06 -0.93 -0.42 0.00 -0.60 0.00 0.00 54.58 52.70 2qa8 n ASN 439 Cb 0.36 -3.67 -0.03 0.00 -0.53 0.00 0.00 39.78 35.91 2qa8 n ASN 439 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2qa8 n LEU 440 N -4.19 4.13 -4.93 1.20 7.94 -0.19 -4.99 117.00 115.98 2qa8 n LEU 440 Ca -0.21 1.09 -0.29 0.00 -1.11 0.00 0.00 56.01 55.50 2qa8 n LEU 440 Cb 0.64 -1.58 -0.04 0.00 0.53 0.00 0.00 43.42 42.98 2qa8 n LEU 440 CO 0.69 0.17 -0.07 -1.10 -1.11 0.00 0.00 177.39 175.97 2qa8 s GLN 441 N 0.57 3.48 0.38 1.96 -1.52 -1.26 -4.95 119.66 118.32 2qa8 s GLN 441 Ca 0.71 -0.43 0.12 0.00 -1.95 0.00 0.00 55.36 53.82 2qa8 s GLN 441 Cb -0.50 -2.95 0.93 0.00 -0.22 0.00 0.00 33.01 30.27 2qa8 s GLN 441 CO 0.38 0.52 1.87 0.78 -0.25 0.00 0.00 175.29 178.58 2qa8 h GLY 442 N 2.50 1.07 1.88 3.09 0.00 -1.99 0.16 103.07 109.78 2qa8 h GLY 442 Ca -0.47 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 46.51 2qa8 h GLY 442 CO 0.71 0.04 -0.45 0.83 0.00 0.00 0.00 176.54 177.68 2qa8 h GLU 443 N 0.57 0.13 -0.13 4.80 3.07 -1.97 -2.39 114.58 118.65 2qa8 h GLU 443 Ca 0.45 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 59.14 2qa8 h GLU 443 Cb 0.89 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 2qa8 h GLU 443 CO -0.20 0.55 -0.33 0.93 -1.40 0.00 0.00 179.01 178.57 2qa8 h GLU 444 N 0.11 0.46 -0.27 2.33 5.08 -1.15 -2.98 114.58 118.15 2qa8 h GLU 444 Ca 0.01 -0.31 0.06 0.00 -1.00 0.00 0.00 59.36 58.12 2qa8 h GLU 444 Cb 0.83 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.06 2qa8 h GLU 444 CO 0.06 0.93 -0.22 0.35 -1.00 0.00 0.00 179.01 179.13 2qa8 h PHE 445 N 0.06 -0.57 -0.01 4.33 3.57 -0.98 -0.78 116.94 122.57 2qa8 h PHE 445 Ca -0.00 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 2qa8 h PHE 445 Cb 0.93 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 2qa8 h PHE 445 CO 0.10 -0.29 -0.31 -0.39 -2.23 0.00 0.00 178.31 175.19 2qa8 h VAL 446 N -0.21 1.23 -0.04 1.41 -1.51 -1.47 0.24 116.25 115.90 2qa8 h VAL 446 Ca 0.15 -1.08 -0.00 0.00 -1.23 0.00 0.00 66.70 64.53 2qa8 h VAL 446 Cb 0.43 1.58 -0.00 0.00 -2.13 0.00 0.00 31.29 31.17 2qa8 h VAL 446 CO -0.39 0.31 0.02 0.00 -1.23 0.00 0.00 177.57 176.28 2qa8 h LEU 448 N -0.05 1.09 -0.71 0.00 3.38 -0.48 -0.71 115.31 117.83 2qa8 h LEU 448 Ca 0.02 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 2qa8 h LEU 448 Cb 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2qa8 h LEU 448 CO -0.00 0.87 -0.13 0.50 0.09 0.00 0.00 178.44 179.78 2qa8 h LYS 449 N 1.23 0.86 0.00 1.13 3.64 -0.93 -1.57 116.57 120.93 2qa8 h LYS 449 Ca 0.31 -0.30 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 2qa8 h LYS 449 Cb 0.02 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2qa8 h LYS 449 CO -0.05 0.94 -0.86 0.66 -2.27 0.00 0.00 179.45 177.87 2qa8 h SER 450 N 0.77 0.04 -0.74 4.20 4.64 -1.04 -2.62 113.55 118.80 2qa8 h SER 450 Ca 0.12 -0.04 0.06 0.00 -0.47 0.00 0.00 61.79 61.46 2qa8 h SER 450 Cb 0.64 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.66 2qa8 h SER 450 CO 0.04 0.88 0.44 0.40 -0.87 0.00 0.00 176.83 177.72 2qa8 h ILE 451 N 0.02 1.01 -0.56 0.95 2.04 -0.77 -1.51 117.51 118.69 2qa8 h ILE 451 Ca -0.02 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 2qa8 h ILE 451 Cb 1.51 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2qa8 h ILE 451 CO 0.11 0.15 0.34 0.40 0.00 0.00 0.00 178.15 179.15 2qa8 h ILE 452 N 0.81 1.16 -0.41 -0.67 2.04 -0.94 0.17 117.51 119.67 2qa8 h ILE 452 Ca 0.32 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.85 2qa8 h ILE 452 Cb 0.16 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 2qa8 h ILE 452 CO -0.17 0.17 0.25 0.25 0.00 0.00 0.00 178.15 178.64 2qa8 h LEU 453 N 0.75 0.40 0.00 1.44 5.85 -1.21 -1.72 115.31 120.81 2qa8 h LEU 453 Ca 0.20 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.75 2qa8 h LEU 453 Cb -0.03 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2qa8 h LEU 453 CO -0.04 0.29 -0.98 -0.07 -0.34 0.00 0.00 178.44 177.30 2qa8 h LEU 454 N 0.50 0.00 0.14 2.25 3.38 -0.81 -3.38 115.31 117.39 2qa8 h LEU 454 Ca 0.16 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.79 2qa8 h LEU 454 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qa8 h LEU 454 CO -0.07 0.71 -1.75 -1.13 0.09 0.00 0.00 178.44 176.28 2qa8 h ASN 455 N 0.00 0.46 -0.37 -0.43 -0.73 -0.58 -3.35 115.58 110.58 2qa8 h ASN 455 Ca -0.07 -0.76 -0.05 0.00 1.87 0.00 0.00 56.30 57.29 2qa8 h ASN 455 Cb 1.60 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 40.02 2qa8 h ASN 455 CO 0.08 1.65 0.07 0.28 -0.37 0.00 0.00 177.43 179.14 2qa8 h SER 456 N 0.08 0.64 -0.26 1.15 0.02 -1.49 -2.25 113.55 111.43 2qa8 h SER 456 Ca -0.33 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2qa8 h SER 456 Cb 2.06 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 64.43 2qa8 h SER 456 CO 0.14 0.67 0.00 0.61 -1.14 0.00 0.00 176.83 177.11 2qa8 n GLY 457 N -0.88 1.38 0.13 -3.77 0.00 -1.26 -4.71 105.19 96.08 2qa8 n GLY 457 Ca 0.03 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 2qa8 n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2qa8 h VAL 458 N 3.62 1.13 -0.14 1.61 3.04 -1.53 -3.23 116.25 120.75 2qa8 h VAL 458 Ca 0.00 -0.35 -0.07 0.00 -1.01 0.00 0.00 66.70 65.27 2qa8 h VAL 458 Cb 0.84 0.91 -0.00 0.00 -2.01 0.00 0.00 31.29 31.03 2qa8 h VAL 458 CO 0.00 0.12 -0.20 1.88 -1.01 0.00 0.00 177.57 178.37 2qa8 h TYR 459 N 0.27 0.47 0.00 3.17 0.05 -1.84 -2.97 116.97 116.12 2qa8 h TYR 459 Ca 0.08 -0.15 -0.03 0.00 0.05 0.00 0.00 58.73 58.68 2qa8 h TYR 459 Cb 0.08 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 2qa8 h TYR 459 CO -0.03 0.81 0.03 0.25 -1.05 0.00 0.00 178.16 178.17 2qa8 n THR 460 N -4.50 1.04 0.00 -2.88 -2.24 -1.22 -5.20 114.28 99.28 2qa8 n THR 460 Ca -0.06 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2qa8 n THR 460 Cb 0.40 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 2qa8 n THR 460 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2qa8 n PHE 461 N 2.08 0.00 0.00 4.78 3.72 -1.12 -5.06 117.46 121.86 2qa8 n PHE 461 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 2qa8 n PHE 461 Cb 0.28 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 2qa8 n PHE 461 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2qa8 n GLU 470 N 0.00 0.00 0.08 -1.08 2.13 -1.26 -5.12 120.64 115.39 2qa8 n GLU 470 Ca 0.00 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 2qa8 n GLU 470 Cb 0.00 -1.04 -0.15 0.00 0.27 0.00 0.00 31.44 30.52 2qa8 n GLU 470 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2qa8 h GLU 471 N 0.00 0.36 0.03 5.31 3.07 -2.02 -3.09 114.58 118.24 2qa8 h GLU 471 Ca 0.00 -0.62 -0.00 0.00 -0.50 0.00 0.00 59.36 58.24 2qa8 h GLU 471 Cb 0.00 0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2qa8 h GLU 471 CO 0.00 1.26 -0.02 0.87 -1.40 0.00 0.00 179.01 179.73 2qa8 h LYS 472 N 0.10 -0.04 -0.84 2.33 1.57 -2.00 -2.71 116.57 114.98 2qa8 h LYS 472 Ca -0.29 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 58.70 2qa8 h LYS 472 Cb 2.08 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 34.25 2qa8 h LYS 472 CO 0.19 -0.03 0.09 0.22 -0.57 0.00 0.00 179.45 179.35 2qa8 h ASP 473 N -0.04 -0.26 -0.33 0.86 3.58 -1.99 0.15 116.42 118.39 2qa8 h ASP 473 Ca -0.00 0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 2qa8 h ASP 473 Cb 0.03 0.35 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2qa8 h ASP 473 CO 0.01 -0.20 0.14 -0.74 -2.88 0.00 0.00 179.24 175.57 2qa8 h HIS 474 N 0.12 0.49 -0.80 0.28 2.76 -1.43 -0.70 115.15 115.87 2qa8 h HIS 474 Ca 0.50 -0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.69 2qa8 h HIS 474 Cb 0.95 -0.15 -0.06 0.00 1.55 0.00 0.00 27.41 29.71 2qa8 h HIS 474 CO -0.39 0.44 0.49 0.82 -1.30 0.00 0.00 177.93 178.00 2qa8 h ILE 475 N 0.39 1.05 -0.36 6.26 2.04 -0.61 -0.74 117.51 125.53 2qa8 h ILE 475 Ca 0.11 -0.31 -0.12 0.00 1.00 0.00 0.00 64.86 65.54 2qa8 h ILE 475 Cb 0.15 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 2qa8 h ILE 475 CO -0.01 0.17 -0.26 0.45 0.00 0.00 0.00 178.15 178.50 2qa8 h HIS 476 N 0.92 0.85 -0.32 1.37 3.86 -0.53 0.40 115.15 121.68 2qa8 h HIS 476 Ca 0.34 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 2qa8 h HIS 476 Cb 0.12 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 2qa8 h HIS 476 CO -0.04 0.92 0.15 0.00 0.86 0.00 0.00 177.93 179.82 2qa8 h ARG 477 N 0.64 0.46 -0.27 2.45 3.08 -0.87 0.27 114.38 120.14 2qa8 h ARG 477 Ca 0.08 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.07 2qa8 h ARG 477 Cb 0.76 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 2qa8 h ARG 477 CO 0.06 0.44 0.17 0.28 -1.07 0.00 0.00 179.97 179.85 2qa8 h VAL 478 N 0.38 1.05 -0.76 2.04 2.07 -0.76 0.11 116.25 120.38 2qa8 h VAL 478 Ca 0.11 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2qa8 h VAL 478 Cb 0.13 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 2qa8 h VAL 478 CO -0.01 0.06 0.45 -0.07 0.02 0.00 0.00 177.57 178.02 2qa8 h LEU 479 N 0.35 0.92 -0.53 2.57 3.38 -0.09 -0.92 115.31 120.98 2qa8 h LEU 479 Ca 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2qa8 h LEU 479 Cb -0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2qa8 h LEU 479 CO -0.03 0.71 0.25 0.44 0.09 0.00 0.00 178.44 179.90 2qa8 h ASP 480 N 1.05 0.70 -0.77 -0.43 3.32 0.09 -1.64 116.42 118.74 2qa8 h ASP 480 Ca 0.27 -0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.24 2qa8 h ASP 480 Cb -0.03 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.28 2qa8 h ASP 480 CO -0.05 0.64 0.47 0.50 -1.72 0.00 0.00 179.24 179.08 2qa8 h LYS 481 N 0.71 0.85 -0.33 3.56 1.63 -0.26 -1.47 116.57 121.26 2qa8 h LYS 481 Ca 0.18 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.88 2qa8 h LYS 481 Cb 0.13 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 2qa8 h LYS 481 CO -0.02 0.56 -0.00 0.82 -3.45 0.00 0.00 179.45 177.36 2qa8 h ILE 482 N 0.87 1.19 -0.08 2.00 2.04 -0.76 -1.89 117.51 120.89 2qa8 h ILE 482 Ca 0.33 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.42 2qa8 h ILE 482 Cb 0.13 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2qa8 h ILE 482 CO -0.16 0.26 0.05 0.74 0.00 0.00 0.00 178.15 179.05 2qa8 h THR 483 N 0.49 1.03 -0.82 -0.27 2.02 -0.35 -0.93 112.91 114.08 2qa8 h THR 483 Ca 0.11 -0.06 0.14 0.00 0.77 0.00 0.00 66.41 67.37 2qa8 h THR 483 Cb 0.32 0.93 -0.09 0.00 -1.74 0.00 0.00 68.15 67.57 2qa8 h THR 483 CO 0.01 0.03 0.40 0.44 0.37 0.00 0.00 175.52 176.77 2qa8 h ASP 484 N 0.09 0.47 -0.38 4.18 3.32 -1.01 0.06 116.42 123.15 2qa8 h ASP 484 Ca 0.03 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 2qa8 h ASP 484 Cb 0.00 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2qa8 h ASP 484 CO -0.01 0.19 -0.04 0.74 -1.72 0.00 0.00 179.24 178.41 2qa8 h THR 485 N 0.58 1.27 0.19 0.35 2.02 -0.92 -0.09 112.91 116.30 2qa8 h THR 485 Ca 0.45 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 2qa8 h THR 485 Cb 0.64 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2qa8 h THR 485 CO -0.37 0.36 -0.11 -0.07 0.37 0.00 0.00 175.52 175.70 2qa8 h LEU 486 N 0.51 -0.28 -0.55 2.58 3.38 -0.29 -1.44 115.31 119.22 2qa8 h LEU 486 Ca 0.10 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.19 2qa8 h LEU 486 Cb 0.53 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.29 2qa8 h LEU 486 CO 0.03 -0.18 0.11 0.40 0.09 0.00 0.00 178.44 178.89 2qa8 h ILE 487 N -0.29 0.68 -0.73 1.22 1.08 -0.95 -2.25 117.51 116.27 2qa8 h ILE 487 Ca -0.02 -0.08 0.08 0.00 -0.39 0.00 0.00 64.86 64.45 2qa8 h ILE 487 Cb 0.24 0.41 -0.06 0.00 -3.07 0.00 0.00 36.82 34.33 2qa8 h ILE 487 CO 0.02 0.05 0.40 -0.74 -0.69 0.00 0.00 178.15 177.18 2qa8 h HIS 488 N 0.25 0.72 -0.68 1.37 2.76 -0.66 0.11 115.15 119.02 2qa8 h HIS 488 Ca 0.28 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.46 2qa8 h HIS 488 Cb 0.40 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.12 2qa8 h HIS 488 CO -0.24 0.31 0.32 -0.07 -1.30 0.00 0.00 177.93 176.95 2qa8 h LEU 489 N 0.70 0.89 -0.24 0.26 3.38 -0.86 0.17 115.31 119.61 2qa8 h LEU 489 Ca 0.34 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 2qa8 h LEU 489 Cb 0.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2qa8 h LEU 489 CO -0.23 0.77 0.05 0.24 0.09 0.00 0.00 178.44 179.37 2qa8 h MET 490 N 0.94 0.39 0.41 1.13 2.86 -0.82 -0.14 114.93 119.70 2qa8 h MET 490 Ca 0.23 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2qa8 h MET 490 Cb 0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2qa8 h MET 490 CO -0.03 0.51 -0.33 0.00 1.06 0.00 0.00 176.91 178.12 2qa8 h ALA 491 N 0.86 -0.75 -0.60 6.32 0.00 -0.52 -1.80 119.26 122.77 2qa8 h ALA 491 Ca 0.07 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.96 2qa8 h ALA 491 Cb 0.30 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 2qa8 h ALA 491 CO 0.00 -0.95 0.13 -0.22 0.00 0.00 0.00 179.25 178.21 2qa8 h LYS 492 N -0.74 0.25 0.00 0.00 3.64 -0.65 0.24 116.57 119.32 2qa8 h LYS 492 Ca -0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2qa8 h LYS 492 Cb 0.64 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2qa8 h LYS 492 CO -0.01 0.17 0.00 0.00 -2.27 0.00 0.00 179.45 177.34 2qa8 h ALA 493 N 1.47 1.00 0.00 5.00 0.00 -0.81 -3.46 119.26 122.46 2qa8 h ALA 493 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2qa8 h ALA 493 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2qa8 h ALA 493 CO -0.40 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.26 2qa8 n GLY 494 N -1.25 0.91 3.77 0.00 0.00 0.86 -5.06 105.19 104.41 2qa8 n GLY 494 Ca -0.01 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 2qa8 n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qa8 s LEU 495 N 0.00 3.96 0.83 0.99 1.02 -0.73 -5.02 118.68 119.74 2qa8 s LEU 495 Ca 0.00 2.42 -0.11 0.00 0.02 0.00 0.00 54.13 56.47 2qa8 s LEU 495 Cb 0.00 -4.26 0.09 0.00 0.02 0.00 0.00 46.19 42.05 2qa8 s LEU 495 CO 0.00 -1.09 1.11 0.42 0.02 0.00 0.00 176.35 176.80 2qa8 s THR 496 N -1.49 2.88 0.29 5.49 -4.23 -1.26 -4.64 115.64 112.68 2qa8 s THR 496 Ca 0.66 0.29 -0.03 0.00 -1.18 0.00 0.00 61.69 61.43 2qa8 s THR 496 Cb -0.32 -2.63 0.26 0.00 1.34 0.00 0.00 72.50 71.16 2qa8 s THR 496 CO 0.38 -0.37 1.95 0.25 -0.54 0.00 0.00 174.62 176.29 2qa8 h LEU 497 N -1.41 0.99 -0.46 4.79 5.85 -1.99 0.12 115.31 123.20 2qa8 h LEU 497 Ca -0.44 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.20 2qa8 h LEU 497 Cb 1.25 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 2qa8 h LEU 497 CO 0.49 0.71 0.07 1.56 -0.34 0.00 0.00 178.44 180.92 2qa8 h GLN 498 N 1.17 0.77 -0.73 1.25 4.20 -2.01 -2.68 115.11 117.09 2qa8 h GLN 498 Ca 0.33 -0.21 0.06 0.00 0.06 0.00 0.00 58.65 58.89 2qa8 h GLN 498 Cb -0.08 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 2qa8 h GLN 498 CO -0.08 0.79 0.48 1.96 -0.67 0.00 0.00 178.83 181.31 2qa8 h GLN 499 N 0.64 0.76 0.37 1.46 4.20 -1.64 -1.08 115.11 119.83 2qa8 h GLN 499 Ca 0.14 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 2qa8 h GLN 499 Cb 0.40 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2qa8 h GLN 499 CO 0.01 0.51 -0.18 1.96 -0.67 0.00 0.00 178.83 180.46 2qa8 h GLN 500 N 0.79 -0.48 -0.09 1.46 4.20 -0.47 0.75 115.11 121.27 2qa8 h GLN 500 Ca 0.31 0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.92 2qa8 h GLN 500 Cb 0.21 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2qa8 h GLN 500 CO -0.10 -0.32 -0.52 1.12 -0.67 0.00 0.00 178.83 178.33 2qa8 h HIS 501 N -0.50 0.30 -0.22 2.96 2.07 -1.31 -0.15 115.15 118.29 2qa8 h HIS 501 Ca -0.05 -0.10 -0.01 0.00 -2.85 0.00 0.00 60.37 57.36 2qa8 h HIS 501 Cb 0.39 -0.06 -0.01 0.00 2.57 0.00 0.00 27.41 30.30 2qa8 h HIS 501 CO -0.05 0.72 0.11 1.96 -3.07 0.00 0.00 177.93 177.60 2qa8 h GLN 502 N 0.19 0.31 -0.37 5.12 4.20 -1.09 -1.34 115.11 122.14 2qa8 h GLN 502 Ca 0.00 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 2qa8 h GLN 502 Cb 0.99 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 2qa8 h GLN 502 CO 0.08 0.31 -0.17 -0.09 -0.67 0.00 0.00 178.83 178.30 2qa8 h ARG 503 N 0.23 0.77 -0.47 1.46 2.43 -0.69 -1.14 114.38 116.97 2qa8 h ARG 503 Ca 0.08 -0.33 0.08 0.00 -0.81 0.00 0.00 59.98 58.99 2qa8 h ARG 503 Cb 0.10 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 2qa8 h ARG 503 CO -0.01 0.95 0.11 1.25 -1.51 0.00 0.00 179.97 180.76 2qa8 h LEU 504 N 0.56 0.04 -0.26 3.80 5.85 -0.94 -0.21 115.31 124.17 2qa8 h LEU 504 Ca 0.08 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2qa8 h LEU 504 Cb 0.71 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 2qa8 h LEU 504 CO 0.05 0.05 0.14 0.00 -0.34 0.00 0.00 178.44 178.34 2qa8 h ALA 505 N 1.36 0.33 -0.63 1.25 0.00 -1.04 -1.37 119.26 119.16 2qa8 h ALA 505 Ca 0.23 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.15 2qa8 h ALA 505 Cb 0.29 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 2qa8 h ALA 505 CO -0.29 -0.14 0.31 1.96 0.00 0.00 0.00 179.25 181.08 2qa8 h GLN 506 N 0.30 0.54 -0.29 0.00 4.20 -0.61 0.16 115.11 119.41 2qa8 h GLN 506 Ca 0.09 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 2qa8 h GLN 506 Cb 0.07 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2qa8 h GLN 506 CO -0.01 0.36 0.11 -0.07 -0.67 0.00 0.00 178.83 178.54 2qa8 h LEU 507 N 0.55 0.40 -0.81 1.46 3.38 -0.81 -2.60 115.31 116.89 2qa8 h LEU 507 Ca 0.30 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2qa8 h LEU 507 Cb 0.26 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2qa8 h LEU 507 CO -0.23 0.47 -0.08 -0.07 0.09 0.00 0.00 178.44 178.63 2qa8 h LEU 508 N 0.31 0.80 -1.34 1.67 3.38 -0.77 -2.57 115.31 116.80 2qa8 h LEU 508 Ca 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2qa8 h LEU 508 Cb 0.20 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2qa8 h LEU 508 CO -0.01 0.91 0.30 -0.07 0.09 0.00 0.00 178.44 179.67 2qa8 h LEU 509 N 0.74 0.67 -1.76 1.67 3.38 -0.87 -0.80 115.31 118.34 2qa8 h LEU 509 Ca 0.13 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2qa8 h LEU 509 Cb 0.56 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2qa8 h LEU 509 CO 0.03 0.54 -0.14 0.40 0.09 0.00 0.00 178.44 179.36 2qa8 h ILE 510 N 0.76 1.03 -0.07 1.22 2.04 -1.06 -2.06 117.51 119.37 2qa8 h ILE 510 Ca 0.20 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 2qa8 h ILE 510 Cb 0.02 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2qa8 h ILE 510 CO -0.03 0.14 -0.04 -0.07 0.00 0.00 0.00 178.15 178.14 2qa8 h LEU 511 N 0.00 0.09 -0.90 1.44 3.38 -1.04 -0.95 115.31 117.32 2qa8 h LEU 511 Ca -0.00 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2qa8 h LEU 511 Cb 0.25 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2qa8 h LEU 511 CO 0.02 0.15 -0.30 0.28 0.09 0.00 0.00 178.44 178.68 2qa8 h SER 512 N 0.10 0.46 -0.41 -0.43 0.02 -1.41 -0.19 113.55 111.68 2qa8 h SER 512 Ca 0.02 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.71 2qa8 h SER 512 Cb 0.14 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2qa8 h SER 512 CO 0.01 0.74 -0.09 0.45 -1.14 0.00 0.00 176.83 176.80 2qa8 h HIS 513 N 0.39 0.93 -0.43 3.45 3.86 -1.20 -1.15 115.15 121.00 2qa8 h HIS 513 Ca 0.05 -0.17 -0.05 0.00 -1.16 0.00 0.00 60.37 59.04 2qa8 h HIS 513 Cb 0.73 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 2qa8 h HIS 513 CO 0.02 0.89 0.08 0.82 0.86 0.00 0.00 177.93 180.61 2qa8 h ILE 514 N 0.77 1.24 0.12 2.45 2.04 -1.05 -1.38 117.51 121.70 2qa8 h ILE 514 Ca 0.13 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.16 2qa8 h ILE 514 Cb 0.59 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 2qa8 h ILE 514 CO 0.04 0.30 -0.34 -0.09 0.00 0.00 0.00 178.15 178.06 2qa8 h ARG 515 N 0.57 -0.55 -0.85 2.37 9.65 -0.96 -0.68 114.38 123.93 2qa8 h ARG 515 Ca 0.13 0.04 0.17 0.00 -1.10 0.00 0.00 59.98 59.22 2qa8 h ARG 515 Cb 0.35 0.12 -0.16 0.00 -1.39 0.00 0.00 29.97 28.90 2qa8 h ARG 515 CO 0.01 -0.37 -0.23 1.25 2.80 0.00 0.00 179.97 183.43 2qa8 h HIS 516 N -0.57 -0.50 -0.26 2.20 2.76 -1.03 -0.76 115.15 116.99 2qa8 h HIS 516 Ca 0.03 0.08 -0.06 0.00 -2.20 0.00 0.00 60.37 58.22 2qa8 h HIS 516 Cb 0.60 0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 2qa8 h HIS 516 CO -0.30 -0.37 -0.06 0.52 -1.30 0.00 0.00 177.93 176.42 2qa8 h MET 517 N -0.01 0.51 -0.59 5.26 2.86 -0.96 -1.17 114.93 120.83 2qa8 h MET 517 Ca 0.40 -0.20 0.10 0.00 -2.06 0.00 0.00 59.70 57.95 2qa8 h MET 517 Cb 0.62 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.17 2qa8 h MET 517 CO -0.88 0.72 0.16 1.03 1.06 0.00 0.00 176.91 179.01 2qa8 h SER 518 N 0.26 0.08 -0.37 1.22 0.87 -0.41 0.80 113.55 116.00 2qa8 h SER 518 Ca 0.07 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 2qa8 h SER 518 Cb 0.54 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 2qa8 h SER 518 CO 0.03 0.05 0.12 0.78 -0.53 0.00 0.00 176.83 177.28 2qa8 h ASN 519 N 0.31 0.53 -0.29 6.23 2.35 -0.55 0.49 115.58 124.65 2qa8 h ASN 519 Ca 0.31 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2qa8 h ASN 519 Cb 0.43 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2qa8 h ASN 519 CO -0.36 0.59 0.18 0.11 -1.65 0.00 0.00 177.43 176.30 2qa8 h LYS 520 N 0.45 0.39 -0.90 0.81 6.56 -1.03 -0.77 116.57 122.09 2qa8 h LYS 520 Ca 0.12 -0.03 0.01 0.00 -1.06 0.00 0.00 60.65 59.69 2qa8 h LYS 520 Cb 0.24 -0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 31.77 2qa8 h LYS 520 CO -0.01 0.29 0.59 0.78 -2.06 0.00 0.00 179.45 179.05 2qa8 h GLY 521 N 0.38 1.26 0.86 3.86 0.00 -0.50 -0.16 103.07 108.78 2qa8 h GLY 521 Ca 0.11 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 2qa8 h GLY 521 CO -0.02 0.46 0.05 1.98 0.00 0.00 0.00 176.54 179.01 2qa8 h MET 522 N 1.21 0.38 -0.10 4.80 -1.53 0.27 0.18 114.93 120.14 2qa8 h MET 522 Ca 0.33 -0.10 -0.14 0.00 -3.44 0.00 0.00 59.70 56.35 2qa8 h MET 522 Cb -0.14 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 30.85 2qa8 h MET 522 CO -0.07 0.51 -0.56 1.05 0.14 0.00 0.00 176.91 177.97 2qa8 h GLU 523 N 0.20 0.32 -0.09 0.39 4.11 -0.96 -1.77 114.58 116.78 2qa8 h GLU 523 Ca 0.07 -0.20 -0.00 0.00 0.07 0.00 0.00 59.36 59.30 2qa8 h GLU 523 Cb 0.30 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2qa8 h GLU 523 CO 0.00 0.80 0.05 1.25 0.07 0.00 0.00 179.01 181.18 2qa8 h HIS 524 N 0.24 0.12 -1.00 2.06 2.76 -0.84 -1.22 115.15 117.27 2qa8 h HIS 524 Ca 0.00 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.26 2qa8 h HIS 524 Cb 1.06 -0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.91 2qa8 h HIS 524 CO 0.03 0.14 0.64 1.25 -1.30 0.00 0.00 177.93 178.69 2qa8 h LEU 525 N 0.07 0.99 -0.97 0.26 5.85 -0.53 -0.02 115.31 120.96 2qa8 h LEU 525 Ca 0.03 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 2qa8 h LEU 525 Cb 0.05 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2qa8 h LEU 525 CO -0.01 0.59 -0.25 0.22 -0.34 0.00 0.00 178.44 178.65 2qa8 h TYR 526 N 1.10 0.49 -0.02 1.25 3.20 -0.88 0.51 116.97 122.62 2qa8 h TYR 526 Ca 0.46 -0.10 -0.16 0.00 3.14 0.00 0.00 58.73 62.07 2qa8 h TYR 526 Cb 0.31 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2qa8 h TYR 526 CO -0.00 0.66 -0.72 0.66 -1.64 0.00 0.00 178.16 177.12 2qa8 h SER 527 N 0.39 0.18 -0.37 -2.11 4.64 -0.32 -3.10 113.55 112.86 2qa8 h SER 527 Ca 0.06 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 2qa8 h SER 527 Cb 0.66 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 2qa8 h SER 527 CO 0.05 0.84 0.09 0.24 -0.87 0.00 0.00 176.83 177.17 2qa8 h MET 528 N 0.10 0.59 0.00 4.77 2.86 -0.38 -1.61 114.93 121.26 2qa8 h MET 528 Ca -0.02 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2qa8 h MET 528 Cb 1.28 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2qa8 h MET 528 CO 0.11 0.63 0.00 1.17 1.06 0.00 0.00 176.91 179.88 2qa8 n LYS 529 N -4.59 0.00 0.00 1.72 4.81 0.11 -1.41 118.16 118.80 2qa8 n LYS 529 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 2qa8 n LYS 529 Cb 0.20 -0.96 0.00 0.00 0.02 0.00 0.00 35.03 34.30 2qa8 n LYS 529 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2qa8 n LYS 531 N 0.40 0.00 -3.58 1.64 5.02 -0.61 -4.50 118.16 116.53 2qa8 n LYS 531 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 2qa8 n LYS 531 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.06 2qa8 n LYS 531 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qa8 n ASN 532 N 0.00 -5.58 0.07 4.39 4.13 -1.04 -4.93 115.26 112.30 2qa8 n ASN 532 Ca 0.00 -0.56 -0.12 0.00 1.68 0.00 0.00 54.58 55.58 2qa8 n ASN 532 Cb 0.00 -4.45 -0.13 0.00 -1.54 0.00 0.00 39.78 33.66 2qa8 n ASN 532 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 2qa8 h VAL 533 N -2.09 1.53 -3.79 2.41 -1.51 -1.46 -3.46 116.25 107.88 2qa8 h VAL 533 Ca -0.55 -3.19 -0.31 0.00 -1.23 0.00 0.00 66.70 61.42 2qa8 h VAL 533 Cb 1.36 2.86 -0.29 0.00 -2.13 0.00 0.00 31.29 33.09 2qa8 h VAL 533 CO 0.60 0.91 -0.75 0.54 -1.23 0.00 0.00 177.57 177.64 2qa8 s VAL 534 N -2.67 0.29 -0.04 7.19 0.11 -1.26 -4.64 120.40 119.37 2qa8 s VAL 534 Ca -0.02 -0.12 -0.28 0.00 -2.93 0.00 0.00 61.98 58.62 2qa8 s VAL 534 Cb 0.08 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 2qa8 s VAL 534 CO 0.85 0.10 0.92 -2.16 -3.33 0.00 0.00 175.10 171.48 2qa8 s PRO 535 N 0.10 4.50 -0.00 1.54 0.04 -1.26 -4.71 135.00 135.21 2qa8 s PRO 535 Ca -0.01 1.29 -0.02 0.00 0.04 0.00 0.00 61.00 62.31 2qa8 s PRO 535 Cb -0.04 -3.48 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 2qa8 s PRO 535 CO -0.00 -0.09 0.14 -0.51 0.04 0.00 0.00 177.00 176.58 2qa8 s LEU 536 N 1.20 4.18 0.89 -3.56 1.43 -1.26 -5.01 118.68 116.55 2qa8 s LEU 536 Ca 0.48 0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 53.74 2qa8 s LEU 536 Cb -0.20 -2.49 0.13 0.00 0.03 0.00 0.00 46.19 43.67 2qa8 s LEU 536 CO 0.24 0.26 1.14 -0.94 0.23 0.00 0.00 176.35 177.28 2qa8 s SER 537 N -1.89 3.16 0.28 2.29 1.04 -1.26 -4.76 113.70 112.56 2qa8 s SER 537 Ca 0.26 2.15 0.01 0.00 0.48 0.00 0.00 55.95 58.84 2qa8 s SER 537 Cb -0.12 -2.56 0.54 0.00 0.10 0.00 0.00 66.02 63.97 2qa8 s SER 537 CO 0.17 -2.95 1.84 0.44 0.98 0.00 0.00 173.24 173.73 2qa8 h ASP 538 N -1.74 0.94 -0.22 7.02 3.32 -1.99 -0.78 116.42 122.97 2qa8 h ASP 538 Ca -0.43 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.62 2qa8 h ASP 538 Cb 1.26 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 2qa8 h ASP 538 CO 0.43 0.51 -0.04 0.25 -1.72 0.00 0.00 179.24 178.67 2qa8 h LEU 539 N 1.01 0.42 -0.78 1.55 5.85 -1.99 -2.21 115.31 119.17 2qa8 h LEU 539 Ca 0.49 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.87 2qa8 h LEU 539 Cb 0.46 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 2qa8 h LEU 539 CO -0.26 0.68 0.51 0.25 -0.34 0.00 0.00 178.44 179.28 2qa8 h LEU 540 N 0.16 0.88 -1.17 2.25 5.85 -1.82 0.23 115.31 121.69 2qa8 h LEU 540 Ca 0.06 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.77 2qa8 h LEU 540 Cb 0.48 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 2qa8 h LEU 540 CO 0.02 0.64 0.56 -0.07 -0.34 0.00 0.00 178.44 179.25 2qa8 h LEU 541 N 1.04 0.96 -0.24 2.25 3.38 -1.12 0.07 115.31 121.65 2qa8 h LEU 541 Ca 0.29 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 58.03 2qa8 h LEU 541 Cb -0.11 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.41 2qa8 h LEU 541 CO -0.07 0.68 -0.74 -0.08 0.09 0.00 0.00 178.44 178.32 2qa8 h GLU 542 N 1.13 0.70 -0.90 1.13 4.81 -0.72 -0.90 114.58 119.83 2qa8 h GLU 542 Ca 0.32 -0.56 0.01 0.00 -0.13 0.00 0.00 59.36 59.00 2qa8 h GLU 542 Cb -0.08 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 2qa8 h GLU 542 CO -0.08 1.18 0.59 0.52 -0.73 0.00 0.00 179.01 180.49 2qa8 h MET 543 N 0.49 1.17 0.01 1.92 2.86 0.16 -2.86 114.93 118.67 2qa8 h MET 543 Ca -0.04 -0.07 -0.24 0.00 -2.06 0.00 0.00 59.70 57.28 2qa8 h MET 543 Cb 1.36 -0.26 0.01 0.00 0.06 0.00 0.00 31.60 32.76 2qa8 h MET 543 CO 0.15 0.77 -1.00 1.25 1.06 0.00 0.00 176.91 179.14 2qa8 h LEU 544 N 1.20 0.67 -1.51 1.22 5.85 -0.85 -3.25 115.31 118.64 2qa8 h LEU 544 Ca 0.33 -0.54 0.04 0.00 0.84 0.00 0.00 57.88 58.54 2qa8 h LEU 544 Cb -0.12 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 2qa8 h LEU 544 CO -0.08 1.35 0.37 0.44 -0.34 0.00 0.00 178.44 180.18 2qa8 h ASP 545 N 0.28 0.54 0.00 1.25 3.45 -0.95 -1.71 116.42 119.29 2qa8 h ASP 545 Ca -0.10 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.35 2qa8 h ASP 545 Cb 1.65 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 40.30 2qa8 h ASP 545 CO 0.18 0.37 0.02 0.00 -1.57 0.00 0.00 179.24 178.24 2qa8 n ALA 546 N -2.47 1.02 -0.70 3.45 0.00 -1.12 -2.03 120.51 118.66 2qa8 n ALA 546 Ca 0.07 0.19 0.08 0.00 0.00 0.00 0.00 53.44 53.78 2qa8 n ALA 546 Cb 0.15 -1.28 0.25 0.00 0.00 0.00 0.00 19.45 18.57 2qa8 n ALA 546 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2qa8 n HIS 547 N -2.23 0.92 -1.76 0.00 8.25 -0.64 -5.00 115.22 114.76 2qa8 n HIS 547 Ca -0.01 -0.72 0.00 0.00 -0.26 0.00 0.00 57.72 56.72 2qa8 n HIS 547 Cb 0.05 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 30.93 2qa8 n HIS 547 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52