============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. HIS 2 0.900 -4.148 -16.898 8.460 -99.200 -91.000 PHE 4 1.000 -1.377 -17.710 14.459 -99.200 -91.000 HIS 15 0.900 -11.100 -5.911 18.572 -99.200 -91.000 TYR 18 0.840 -18.696 -8.667 23.512 -99.200 -91.000 TRP 29 1.040 -15.929 1.745 29.047 -99.200 -91.000 TRP6 29 1.020 -13.949 1.406 27.797 -99.200 -91.000 TYR 41 0.840 -15.421 8.041 25.396 -99.200 -91.000 HIS 59 0.900 -10.257 12.081 15.087 -99.200 -91.000 HIS 67 0.900 -9.569 -0.382 0.511 -99.200 -91.000 TYR 72 0.840 -2.089 6.092 3.408 -99.200 -91.000 PHE 73 1.000 -3.693 1.021 13.091 -99.200 -91.000 TRP 74 1.040 -2.208 -5.046 7.489 -99.200 -91.000 TRP6 74 1.020 -1.313 -5.606 5.379 -99.200 -91.000 TRP 82 1.040 1.619 5.663 10.360 -99.200 -91.000 TRP6 82 1.020 0.941 4.555 12.342 -99.200 -91.000 PHE 89 1.000 8.216 -1.741 11.376 -99.200 -91.000 HIS 90 0.900 12.067 -8.961 12.516 -99.200 -91.000 TYR 103 0.840 10.806 -8.646 18.119 -99.200 -91.000 HIS 106 0.900 6.061 -0.316 20.972 -99.200 -91.000 TRP 110 1.040 7.340 2.563 31.877 -99.200 -91.000 TRP6 110 1.020 5.899 1.568 30.276 -99.200 -91.000 TYR 119 0.840 1.952 -6.146 16.037 -99.200 -91.000 TRP 137 1.040 -12.463 -1.336 4.072 -99.200 -91.000 TRP6 137 1.020 -10.884 -2.789 3.074 -99.200 -91.000 PHE 142 1.000 -4.897 -11.854 16.559 -99.200 -91.000 HIS 146 0.900 7.103 -17.301 13.743 -99.200 -91.000 TYR 190 0.840 -6.094 2.688 18.728 -99.200 -91.000 TRP 199 1.040 4.890 -3.383 39.849 -99.200 -91.000 TRP6 199 1.020 5.666 -1.234 40.469 -99.200 -91.000 TYR 213 0.840 -2.992 3.932 23.749 -99.200 -91.000 PHE 216 1.000 -2.450 5.649 16.851 -99.200 -91.000 PHE 220 1.000 -3.356 6.041 10.838 -99.200 -91.000 TYR 223 0.840 1.156 9.126 6.751 -99.200 -91.000 PHE 235 1.000 -15.827 6.025 -2.266 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z9zA1 THR 364 HA -0.01 -0.01 0.21 -0.75 4.39 3.83 2z9zA1 THR 364 HB 0.09 -0.03 0.02 -0.04 4.32 4.36 2z9zA1 THR 364 HG23 0.04 -0.00 -0.02 -0.04 1.22 1.20 2z9zA1 HIS 365 H -0.05 0.10 0.09 -0.55 8.41 8.01 2z9zA1 HIS 365 HA 0.05 0.15 0.31 -0.75 4.63 4.38 2z9zA1 HIS 365 HB2 0.11 -0.11 0.17 -0.04 3.26 3.39 2z9zA1 HIS 365 HB3 0.09 0.23 0.13 -0.04 3.20 3.60 2z9zA1 HIS 365 HD2 0.09 0.08 -0.02 -0.04 6.97 7.08 2z9zA1 HIS 365 HE1 0.27 0.05 -0.33 -0.04 7.75 7.70 2z9zA1 ARG 366 H 0.15 0.16 0.18 -0.55 8.46 8.40 2z9zA1 ARG 366 HA -0.05 0.16 0.33 -0.75 4.34 4.02 2z9zA1 ARG 366 HB2 -0.18 0.04 0.13 -0.04 1.90 1.84 2z9zA1 ARG 366 HB3 -0.06 0.05 0.16 -0.04 1.80 1.90 2z9zA1 ARG 366 HG2 -0.05 -0.09 0.10 -0.04 1.67 1.60 2z9zA1 ARG 366 HG3 -0.83 0.02 -0.13 -0.04 1.67 0.68 2z9zA1 ARG 366 HD2 -0.22 0.02 0.02 -0.04 3.22 3.00 2z9zA1 ARG 366 HD3 -0.07 0.02 0.05 -0.04 3.22 3.18 2z9zA1 PHE 367 H 0.56 0.07 -0.25 -0.55 8.34 8.17 2z9zA1 PHE 367 HA 0.15 0.20 0.75 -0.75 4.62 4.96 2z9zA1 PHE 367 HB2 0.43 0.01 -0.01 -0.04 3.15 3.54 2z9zA1 PHE 367 HB3 0.35 -0.03 0.11 -0.04 3.06 3.46 2z9zA1 PHE 367 HD2 0.19 -0.03 0.00 -0.04 7.28 7.40 2z9zA1 PHE 367 HE2 0.13 0.02 0.00 -0.04 7.38 7.49 2z9zA1 PHE 367 HZ 0.10 0.11 0.04 -0.04 7.32 7.54 2z9zA1 VAL 368 H -0.19 0.53 -0.38 -0.55 8.24 7.66 2z9zA1 VAL 368 HA -0.10 0.01 0.24 -0.75 4.13 3.52 2z9zA1 VAL 368 HB -0.22 0.27 0.03 -0.04 2.12 2.16 2z9zA1 VAL 368 HG13 -0.06 -0.00 -0.19 -0.04 0.97 0.68 2z9zA1 VAL 368 HG23 -0.48 0.02 0.01 -0.04 0.95 0.46 2z9zA1 GLN 369 H 0.01 0.20 -0.22 -0.55 8.47 7.91 2z9zA1 GLN 369 HA 0.01 0.11 0.41 -0.75 4.36 4.14 2z9zA1 GLN 369 HB2 0.02 0.01 0.06 -0.04 2.15 2.20 2z9zA1 GLN 369 HB3 0.01 0.03 -0.03 -0.04 2.02 2.00 2z9zA1 GLN 369 HG2 -0.00 0.03 -0.00 -0.04 2.40 2.38 2z9zA1 GLN 369 HG3 -0.01 -0.02 -0.01 -0.04 2.39 2.31 2z9zA1 GLN 369 HE21 -0.01 0.01 -0.00 -0.04 6.97 6.92 2z9zA1 GLN 369 HE22 -0.01 0.01 -0.01 -0.04 7.69 7.63 2z9zA1 LYS 370 H 0.14 0.12 -0.18 -0.55 8.42 7.94 2z9zA1 LYS 370 HA 0.02 0.08 0.48 -0.75 4.32 4.13 2z9zA1 LYS 370 HB2 0.21 -0.01 0.11 -0.04 1.87 2.14 2z9zA1 LYS 370 HB3 0.38 0.07 0.12 -0.04 1.79 2.32 2z9zA1 LYS 370 HG2 0.23 0.03 0.00 -0.04 1.46 1.69 2z9zA1 LYS 370 HG3 -0.29 0.01 -0.16 -0.04 1.46 0.98 2z9zA1 LYS 370 HD2 -0.09 -0.06 0.10 -0.04 1.69 1.60 2z9zA1 LYS 370 HD3 0.03 0.00 0.03 -0.04 1.68 1.70 2z9zA1 LYS 370 HE2 -0.24 -0.02 -0.00 -0.04 2.99 2.69 2z9zA1 LYS 370 HE3 -0.05 0.01 -0.00 -0.04 2.99 2.91 2z9zA1 VAL 371 H 0.25 0.65 -0.07 -0.55 8.24 8.52 2z9zA1 VAL 371 HA 0.23 0.03 0.40 -0.75 4.13 4.04 2z9zA1 VAL 371 HB 0.23 0.09 0.07 -0.04 2.12 2.46 2z9zA1 VAL 371 HG13 0.21 -0.00 -0.19 -0.04 0.97 0.94 2z9zA1 VAL 371 HG23 0.50 0.01 -0.07 -0.04 0.95 1.35 2z9zA1 GLU 372 H 0.07 0.60 -0.15 -0.55 8.60 8.57 2z9zA1 GLU 372 HA 0.04 0.01 0.34 -0.75 4.29 3.92 2z9zA1 GLU 372 HB2 0.02 0.08 0.12 -0.04 2.09 2.27 2z9zA1 GLU 372 HB3 0.01 -0.03 0.01 -0.04 1.99 1.94 2z9zA1 GLU 372 HG2 0.02 0.15 0.07 -0.04 2.34 2.54 2z9zA1 GLU 372 HG3 0.00 -0.02 0.00 -0.04 2.34 2.29 2z9zA1 GLU 373 H -0.00 0.41 -0.35 -0.55 8.60 8.12 2z9zA1 GLU 373 HA -0.01 0.04 0.56 -0.75 4.29 4.12 2z9zA1 GLU 373 HB2 -0.02 0.04 0.12 -0.04 2.09 2.18 2z9zA1 GLU 373 HB3 -0.06 0.10 0.18 -0.04 1.99 2.17 2z9zA1 GLU 373 HG2 -0.07 -0.01 -0.27 -0.04 2.34 1.95 2z9zA1 GLU 373 HG3 -0.03 -0.03 0.03 -0.04 2.34 2.27 2z9zA1 MET 374 H -0.11 0.64 -0.03 -0.55 8.47 8.42 2z9zA1 MET 374 HA -0.15 0.02 0.45 -0.75 4.52 4.08 2z9zA1 MET 374 HB2 -0.16 0.08 0.14 -0.04 2.15 2.17 2z9zA1 MET 374 HB3 -0.08 -0.04 0.01 -0.04 2.03 1.87 2z9zA1 MET 374 HG2 -0.50 0.26 0.08 -0.04 2.63 2.43 2z9zA1 MET 374 HG3 -1.50 -0.04 -0.03 -0.04 2.56 0.95 2z9zA1 MET 374 HE3 -0.15 0.00 0.00 -0.04 2.10 1.91 2z9zA1 VAL 375 H 0.05 0.66 -0.10 -0.55 8.24 8.30 2z9zA1 VAL 375 HA 0.16 0.01 0.33 -0.75 4.13 3.88 2z9zA1 VAL 375 HB 0.05 0.06 0.06 -0.04 2.12 2.24 2z9zA1 VAL 375 HG13 0.03 -0.01 -0.18 -0.04 0.97 0.77 2z9zA1 VAL 375 HG23 0.11 0.05 -0.06 -0.04 0.95 1.00 2z9zA1 GLN 376 H 0.02 0.53 -0.23 -0.55 8.47 8.25 2z9zA1 GLN 376 HA 0.02 0.02 0.44 -0.75 4.36 4.09 2z9zA1 GLN 376 HB2 0.01 0.04 0.13 -0.04 2.15 2.28 2z9zA1 GLN 376 HB3 0.01 0.08 0.15 -0.04 2.02 2.22 2z9zA1 GLN 376 HG2 0.00 -0.02 -0.01 -0.04 2.40 2.33 2z9zA1 GLN 376 HG3 0.02 -0.01 -0.18 -0.04 2.39 2.18 2z9zA1 GLN 376 HE21 -0.02 0.02 -0.05 -0.04 6.97 6.89 2z9zA1 GLN 376 HE22 -0.01 -0.02 -0.02 -0.04 7.69 7.60 2z9zA1 ASN 377 H -0.01 0.62 -0.20 -0.55 8.53 8.39 2z9zA1 ASN 377 HA 0.15 0.00 0.47 -0.75 4.76 4.64 2z9zA1 ASN 377 HB2 -0.16 0.12 0.19 -0.04 2.88 2.99 2z9zA1 ASN 377 HB3 -0.17 -0.06 -0.02 -0.04 2.79 2.51 2z9zA1 ASN 377 HD21 -0.09 -0.06 -0.04 -0.04 7.03 6.80 2z9zA1 ASN 377 HD22 -0.15 -0.02 -0.05 -0.04 7.74 7.48 2z9zA1 HIS 378 H 0.01 0.64 -0.12 -0.55 8.41 8.40 2z9zA1 HIS 378 HA 0.05 -0.02 0.42 -0.75 4.63 4.33 2z9zA1 HIS 378 HB2 0.03 0.09 0.09 -0.04 3.26 3.44 2z9zA1 HIS 378 HB3 0.02 -0.03 -0.06 -0.04 3.20 3.09 2z9zA1 HIS 378 HD2 0.04 0.00 -0.19 -0.04 6.97 6.77 2z9zA1 HIS 378 HE1 -0.00 0.03 -0.20 -0.04 7.75 7.53 2z9zA1 MET 379 H 0.10 0.64 -0.15 -0.55 8.47 8.51 2z9zA1 MET 379 HA 0.04 0.00 0.33 -0.75 4.52 4.14 2z9zA1 MET 379 HB2 0.02 0.06 0.12 -0.04 2.15 2.31 2z9zA1 MET 379 HB3 -0.00 -0.04 0.01 -0.04 2.03 1.96 2z9zA1 MET 379 HG2 0.05 0.25 0.04 -0.04 2.63 2.93 2z9zA1 MET 379 HG3 0.00 -0.06 -0.06 -0.04 2.56 2.40 2z9zA1 MET 379 HE3 -0.01 0.00 -0.04 -0.04 2.10 2.02 2z9zA1 THR 380 H 0.04 0.42 -0.34 -0.55 8.28 7.86 2z9zA1 THR 380 HA -0.10 0.07 0.49 -0.75 4.39 4.10 2z9zA1 THR 380 HB -0.09 0.01 0.09 -0.04 4.32 4.29 2z9zA1 THR 380 HG23 -0.31 -0.03 -0.03 -0.04 1.22 0.80 2z9zA1 TYR 381 H 0.15 0.61 0.05 -0.55 8.29 8.56 2z9zA1 TYR 381 HA -0.03 0.13 0.71 -0.75 4.56 4.62 2z9zA1 TYR 381 HB2 -0.04 0.14 0.08 -0.04 3.06 3.20 2z9zA1 TYR 381 HB3 -0.01 -0.04 -0.04 -0.04 2.98 2.84 2z9zA1 TYR 381 HD2 -0.02 0.07 0.05 -0.04 7.15 7.20 2z9zA1 TYR 381 HE2 -0.02 -0.02 -0.03 -0.04 6.85 6.74 2z9zA1 SER 382 H 0.11 0.50 0.14 -0.55 8.46 8.66 2z9zA1 SER 382 HA 0.03 0.09 0.35 -0.75 4.49 4.20 2z9zA1 SER 382 HB2 0.15 0.16 0.10 -0.04 3.95 4.32 2z9zA1 SER 382 HB3 0.08 -0.03 0.03 -0.04 3.93 3.97 2z9zA1 LEU 383 H -0.01 0.17 -0.34 -0.55 8.37 7.65 2z9zA1 LEU 383 HA -0.05 0.14 0.63 -0.75 4.35 4.32 2z9zA1 LEU 383 HB2 -0.03 0.12 -0.06 -0.04 1.64 1.63 2z9zA1 LEU 383 HB3 -0.03 -0.07 0.04 -0.04 1.64 1.54 2z9zA1 LEU 383 HG 0.01 0.07 -0.11 -0.04 1.64 1.57 2z9zA1 LEU 383 HD13 -0.00 0.00 -0.05 -0.04 0.93 0.84 2z9zA1 LEU 383 HD23 -0.00 -0.00 -0.16 -0.04 0.89 0.68 2z9zA1 GLN 384 H -0.07 0.19 -0.45 -0.55 8.47 7.59 2z9zA1 GLN 384 HA -0.09 -0.01 0.43 -0.75 4.36 3.94 2z9zA1 GLN 384 HB2 -0.11 0.09 -0.03 -0.04 2.15 2.06 2z9zA1 GLN 384 HB3 -0.10 -0.04 -0.03 -0.04 2.02 1.80 2z9zA1 GLN 384 HG2 -0.09 -0.05 0.03 -0.04 2.40 2.24 2z9zA1 GLN 384 HG3 -0.09 0.06 0.02 -0.04 2.39 2.34 2z9zA1 GLN 384 HE21 -0.00 -0.05 -0.01 -0.04 6.97 6.87 2z9zA1 GLN 384 HE22 -0.05 -0.04 -0.01 -0.04 7.69 7.55 2z9zA1 ASP 385 H -0.11 0.08 0.13 -0.55 8.40 7.96 2z9zA1 ASP 385 HA -0.20 0.12 0.53 -0.75 4.63 4.32 2z9zA1 ASP 385 HB2 -0.09 0.10 0.10 -0.04 2.71 2.78 2z9zA1 ASP 385 HB3 -0.09 0.01 0.17 -0.04 2.70 2.75 2z9zA1 VAL 386 H -0.46 0.24 0.15 -0.55 8.24 7.61 2z9zA1 VAL 386 HA -0.43 0.14 0.62 -0.75 4.13 3.71 2z9zA1 VAL 386 HB -1.04 -0.01 0.03 -0.04 2.12 1.07 2z9zA1 VAL 386 HG13 -1.33 0.06 -0.12 -0.04 0.97 -0.47 2z9zA1 VAL 386 HG23 -1.24 0.02 -0.13 -0.04 0.95 -0.45 2z9zA1 GLY 387 H -0.30 0.05 -0.15 -0.55 8.43 7.49 2z9zA1 GLY 387 HA2 0.04 0.11 0.37 -0.51 4.01 4.02 2z9zA1 GLY 387 HA3 -0.02 0.03 0.23 -0.51 4.01 3.74 2z9zA1 GLY 388 H -0.08 0.08 -0.32 -0.55 8.43 7.56 2z9zA1 GLY 388 HA2 0.01 0.17 0.61 -0.51 4.01 4.30 2z9zA1 GLY 388 HA3 -0.01 -0.01 0.22 -0.51 4.01 3.70 2z9zA1 ASP 389 H -0.06 0.21 -0.56 -0.55 8.40 7.44 2z9zA1 ASP 389 HA 0.05 0.04 0.63 -0.75 4.63 4.59 2z9zA1 ASP 389 HB2 -0.08 0.08 0.09 -0.04 2.71 2.76 2z9zA1 ASP 389 HB3 0.01 0.10 0.18 -0.04 2.70 2.95 2z9zA1 ALA 390 H 0.07 0.17 0.20 -0.55 8.40 8.29 2z9zA1 ALA 390 HA 0.09 0.18 0.25 -0.75 4.34 4.11 2z9zA1 ALA 390 HB3 0.05 -0.00 0.10 -0.04 1.41 1.52 2z9zA1 ASN 391 H 0.16 -0.02 -0.37 -0.55 8.53 7.75 2z9zA1 ASN 391 HA 0.02 0.14 0.74 -0.75 4.76 4.90 2z9zA1 ASN 391 HB2 0.15 -0.02 0.00 -0.04 2.88 2.97 2z9zA1 ASN 391 HB3 -0.07 0.00 0.09 -0.04 2.79 2.77 2z9zA1 ASN 391 HD21 0.01 -0.02 -0.02 -0.04 7.03 6.95 2z9zA1 ASN 391 HD22 -0.01 0.06 0.04 -0.04 7.74 7.79 2z9zA1 TRP 392 H 0.36 0.50 -0.19 -0.55 7.97 8.09 2z9zA1 TRP 392 HA 0.03 0.21 0.92 -0.75 4.62 5.03 2z9zA1 TRP 392 HB2 -0.01 0.21 0.08 -0.04 3.23 3.46 2z9zA1 TRP 392 HB3 0.07 -0.06 -0.08 -0.04 3.23 3.13 2z9zA1 TRP 392 HD1 -0.02 -0.14 -0.18 -0.04 7.22 6.83 2z9zA1 TRP 392 HE1 -0.02 -0.02 -0.12 -0.04 10.20 10.00 2z9zA1 TRP 392 HE3 0.08 -0.04 -0.35 -0.04 7.59 7.24 2z9zA1 TRP 392 HZ2 -0.02 -0.01 -0.12 -0.04 7.44 7.25 2z9zA1 TRP 392 HZ3 0.02 -0.01 -0.37 -0.04 7.13 6.73 2z9zA1 TRP 392 HH2 -0.02 -0.01 -0.30 -0.04 7.19 6.83 2z9zA1 GLN 393 H 0.24 0.64 0.36 -0.55 8.47 9.17 2z9zA1 GLN 393 HA 0.17 0.17 0.93 -0.75 4.36 4.88 2z9zA1 GLN 393 HB2 0.05 0.02 -0.03 -0.04 2.15 2.15 2z9zA1 GLN 393 HB3 0.06 -0.03 0.13 -0.04 2.02 2.14 2z9zA1 GLN 393 HG2 0.04 0.04 -0.47 -0.04 2.40 1.97 2z9zA1 GLN 393 HG3 0.05 0.01 0.00 -0.04 2.39 2.41 2z9zA1 GLN 393 HE21 0.00 -0.05 -0.02 -0.04 6.97 6.86 2z9zA1 GLN 393 HE22 0.01 0.07 -0.03 -0.04 7.69 7.70 2z9zA1 LEU 394 H 0.13 0.19 0.11 -0.55 8.37 8.25 2z9zA1 LEU 394 HA -0.29 0.11 0.72 -0.75 4.35 4.14 2z9zA1 LEU 394 HB2 -0.14 0.01 0.07 -0.04 1.64 1.54 2z9zA1 LEU 394 HB3 -0.03 -0.01 0.19 -0.04 1.64 1.76 2z9zA1 LEU 394 HG -0.15 -0.02 -0.21 -0.04 1.64 1.21 2z9zA1 LEU 394 HD13 -0.62 0.04 -0.01 -0.04 0.93 0.30 2z9zA1 LEU 394 HD23 -0.08 -0.01 -0.02 -0.04 0.89 0.74 2z9zA1 VAL 395 H -0.08 0.64 0.50 -0.55 8.24 8.75 2z9zA1 VAL 395 HA -0.02 0.18 0.83 -0.75 4.13 4.37 2z9zA1 VAL 395 HB 0.01 -0.03 0.07 -0.04 2.12 2.12 2z9zA1 VAL 395 HG13 0.03 0.03 -0.15 -0.04 0.97 0.84 2z9zA1 VAL 395 HG23 0.03 0.02 -0.10 -0.04 0.95 0.86 2z9zA1 VAL 396 H -0.10 0.36 0.26 -0.55 8.24 8.21 2z9zA1 VAL 396 HA -0.04 0.14 0.70 -0.75 4.13 4.19 2z9zA1 VAL 396 HB -0.02 -0.10 0.08 -0.04 2.12 2.05 2z9zA1 VAL 396 HG13 -0.02 -0.01 -0.11 -0.04 0.97 0.79 2z9zA1 VAL 396 HG23 0.02 0.04 -0.12 -0.04 0.95 0.84 2z9zA1 GLU 397 H -0.05 0.27 0.16 -0.55 8.60 8.43 2z9zA1 GLU 397 HA -0.10 0.30 0.72 -0.75 4.29 4.46 2z9zA1 GLU 397 HB2 -0.09 -0.02 0.02 -0.04 2.09 1.96 2z9zA1 GLU 397 HB3 -0.05 -0.04 0.09 -0.04 1.99 1.94 2z9zA1 GLU 397 HG2 -0.05 -0.07 -0.14 -0.04 2.34 2.03 2z9zA1 GLU 397 HG3 -0.07 0.21 0.06 -0.04 2.34 2.50 2z9zA1 GLU 398 H -0.09 0.61 0.09 -0.55 8.60 8.66 2z9zA1 GLU 398 HA -0.04 0.05 0.41 -0.75 4.29 3.96 2z9zA1 GLU 398 HB2 -0.04 0.12 0.04 -0.04 2.09 2.17 2z9zA1 GLU 398 HB3 -0.07 -0.03 0.08 -0.04 1.99 1.93 2z9zA1 GLU 398 HG2 -0.03 -0.05 -0.17 -0.04 2.34 2.04 2z9zA1 GLU 398 HG3 -0.02 -0.02 0.06 -0.04 2.34 2.31 2z9zA1 GLY 399 H -0.03 0.14 0.10 -0.55 8.43 8.10 2z9zA1 GLY 399 HA2 -0.01 0.05 0.38 -0.51 4.01 3.92 2z9zA1 GLY 399 HA3 -0.01 0.01 0.53 -0.51 4.01 4.03 2z9zA1 GLU 400 H 0.03 0.14 0.31 -0.55 8.60 8.54 2z9zA1 GLU 400 HA 0.01 0.14 0.55 -0.75 4.29 4.24 2z9zA1 GLU 400 HB2 0.28 0.03 0.19 -0.04 2.09 2.54 2z9zA1 GLU 400 HB3 0.13 -0.06 0.23 -0.04 1.99 2.25 2z9zA1 GLU 400 HG2 0.05 -0.11 0.05 -0.04 2.34 2.29 2z9zA1 GLU 400 HG3 0.06 0.09 0.13 -0.04 2.34 2.59 2z9zA1 MET 401 H -0.21 0.39 -0.07 -0.55 8.47 8.04 2z9zA1 MET 401 HA -0.32 0.35 0.97 -0.75 4.52 4.77 2z9zA1 MET 401 HB2 -1.19 -0.08 0.10 -0.04 2.15 0.94 2z9zA1 MET 401 HB3 -0.32 0.10 0.19 -0.04 2.03 1.95 2z9zA1 MET 401 HG2 -0.17 -0.01 -0.32 -0.04 2.63 2.09 2z9zA1 MET 401 HG3 -0.27 0.05 -0.03 -0.04 2.56 2.26 2z9zA1 MET 401 HE3 -0.09 0.00 -0.05 -0.04 2.10 1.92 2z9zA1 LYS 402 H -0.06 0.67 0.42 -0.55 8.42 8.90 2z9zA1 LYS 402 HA -0.15 0.23 1.03 -0.75 4.32 4.66 2z9zA1 LYS 402 HB2 0.05 -0.05 0.16 -0.04 1.87 1.98 2z9zA1 LYS 402 HB3 -0.34 -0.01 0.03 -0.04 1.79 1.43 2z9zA1 LYS 402 HG2 -0.10 0.05 -0.01 -0.04 1.46 1.36 2z9zA1 LYS 402 HG3 -0.03 0.03 -0.35 -0.04 1.46 1.06 2z9zA1 LYS 402 HD2 0.01 -0.03 -0.03 -0.04 1.69 1.60 2z9zA1 LYS 402 HD3 -0.02 -0.00 -0.04 -0.04 1.68 1.57 2z9zA1 LYS 402 HE2 0.08 0.00 -0.06 -0.04 2.99 2.97 2z9zA1 LYS 402 HE3 0.09 -0.05 -0.04 -0.04 2.99 2.96 2z9zA1 VAL 403 H -0.20 0.76 0.40 -0.55 8.24 8.65 2z9zA1 VAL 403 HA 0.07 0.18 1.13 -0.75 4.13 4.77 2z9zA1 VAL 403 HB -0.01 -0.07 0.18 -0.04 2.12 2.17 2z9zA1 VAL 403 HG13 0.10 0.01 -0.13 -0.04 0.97 0.91 2z9zA1 VAL 403 HG23 0.01 -0.00 -0.18 -0.04 0.95 0.74 2z9zA1 TYR 404 H 0.32 0.90 0.49 -0.55 8.29 9.45 2z9zA1 TYR 404 HA 0.14 0.21 1.22 -0.75 4.56 5.38 2z9zA1 TYR 404 HB2 0.21 -0.00 0.05 -0.04 3.06 3.27 2z9zA1 TYR 404 HB3 0.39 0.01 -0.05 -0.04 2.98 3.29 2z9zA1 TYR 404 HD2 0.06 0.14 -0.22 -0.04 7.15 7.09 2z9zA1 TYR 404 HE2 -0.01 0.03 -0.10 -0.04 6.85 6.74 2z9zA1 ARG 405 H 0.29 0.55 0.42 -0.55 8.46 9.17 2z9zA1 ARG 405 HA 0.23 0.21 0.45 -0.75 4.34 4.47 2z9zA1 ARG 405 HB2 -0.07 0.13 0.12 -0.04 1.90 2.04 2z9zA1 ARG 405 HB3 0.07 0.03 0.07 -0.04 1.80 1.92 2z9zA1 ARG 405 HG2 0.04 -0.02 -0.05 -0.04 1.67 1.60 2z9zA1 ARG 405 HG3 -0.03 -0.06 -0.20 -0.04 1.67 1.34 2z9zA1 ARG 405 HD2 -0.06 -0.03 -0.11 -0.04 3.22 2.98 2z9zA1 ARG 405 HD3 -0.00 0.03 -0.07 -0.04 3.22 3.14 2z9zA1 ARG 406 H -0.55 0.66 0.24 -0.55 8.46 8.25 2z9zA1 ARG 406 HA -0.52 0.22 0.91 -0.75 4.34 4.20 2z9zA1 ARG 406 HB2 -2.35 -0.03 -0.05 -0.04 1.90 -0.58 2z9zA1 ARG 406 HB3 -0.92 -0.03 0.12 -0.04 1.80 0.94 2z9zA1 ARG 406 HG2 -0.40 -0.01 -0.18 -0.04 1.67 1.04 2z9zA1 ARG 406 HG3 -0.54 0.29 0.10 -0.04 1.67 1.47 2z9zA1 ARG 406 HD2 -0.56 -0.03 -0.11 -0.04 3.22 2.48 2z9zA1 ARG 406 HD3 -0.40 -0.04 -0.06 -0.04 3.22 2.68 2z9zA1 GLU 407 H -0.20 0.22 0.13 -0.55 8.60 8.20 2z9zA1 GLU 407 HA -0.14 0.05 0.78 -0.75 4.29 4.23 2z9zA1 GLU 407 HB2 -0.10 0.03 0.17 -0.04 2.09 2.15 2z9zA1 GLU 407 HB3 -0.09 -0.04 0.03 -0.04 1.99 1.86 2z9zA1 GLU 407 HG2 -0.09 0.03 -0.06 -0.04 2.34 2.18 2z9zA1 GLU 407 HG3 -0.08 0.05 -0.02 -0.04 2.34 2.24 2z9zA1 VAL 408 H -0.13 0.18 0.29 -0.55 8.24 8.03 2z9zA1 VAL 408 HA -0.10 0.17 0.84 -0.75 4.13 4.29 2z9zA1 VAL 408 HB -0.12 -0.03 -0.05 -0.04 2.12 1.88 2z9zA1 VAL 408 HG13 -0.07 -0.01 -0.17 -0.04 0.97 0.68 2z9zA1 VAL 408 HG23 -0.18 0.03 -0.29 -0.04 0.95 0.46 2z9zA1 GLU 409 H -0.06 0.28 0.16 -0.55 8.60 8.43 2z9zA1 GLU 409 HA -0.06 0.34 0.64 -0.75 4.29 4.45 2z9zA1 GLU 409 HB2 -0.04 -0.00 -0.01 -0.04 2.09 1.99 2z9zA1 GLU 409 HB3 -0.03 -0.10 -0.22 -0.04 1.99 1.59 2z9zA1 GLU 409 HG2 -0.08 0.02 -0.29 -0.04 2.34 1.95 2z9zA1 GLU 409 HG3 -0.07 -0.04 -0.38 -0.04 2.34 1.81 2z9zA1 GLU 410 H -0.03 0.63 0.14 -0.55 8.60 8.79 2z9zA1 GLU 410 HA -0.02 0.10 0.82 -0.75 4.29 4.44 2z9zA1 GLU 410 HB2 -0.02 0.05 0.06 -0.04 2.09 2.15 2z9zA1 GLU 410 HB3 -0.01 0.02 0.02 -0.04 1.99 1.97 2z9zA1 GLU 410 HG2 -0.02 0.03 0.03 -0.04 2.34 2.33 2z9zA1 GLU 410 HG3 -0.04 -0.06 -0.52 -0.04 2.34 1.68 2z9zA1 ASN 411 H -0.00 0.18 0.10 -0.55 8.53 8.26 2z9zA1 ASN 411 HA 0.01 0.04 0.34 -0.75 4.76 4.39 2z9zA1 ASN 411 HB2 0.02 0.15 0.17 -0.04 2.88 3.18 2z9zA1 ASN 411 HB3 0.02 0.02 0.17 -0.04 2.79 2.96 2z9zA1 ASN 411 HD21 0.01 0.01 -0.05 -0.04 7.03 6.95 2z9zA1 ASN 411 HD22 0.01 0.04 -0.04 -0.04 7.74 7.71 2z9zA1 GLY 412 H 0.01 0.04 -0.21 -0.55 8.43 7.72 2z9zA1 GLY 412 HA2 0.04 -0.02 0.25 -0.51 4.01 3.77 2z9zA1 GLY 412 HA3 0.08 0.15 0.44 -0.51 4.01 4.17 2z9zA1 ILE 413 H -0.00 0.22 -0.48 -0.55 8.25 7.44 2z9zA1 ILE 413 HA -0.08 0.14 0.86 -0.75 4.18 4.35 2z9zA1 ILE 413 HB 0.01 0.12 0.02 -0.04 1.89 2.00 2z9zA1 ILE 413 HG12 -0.00 -0.00 -0.04 -0.04 1.49 1.41 2z9zA1 ILE 413 HG13 0.08 -0.00 -0.25 -0.04 1.21 0.99 2z9zA1 ILE 413 HG23 -0.04 -0.01 -0.17 -0.04 0.93 0.67 2z9zA1 ILE 413 HD13 0.08 0.00 -0.02 -0.04 0.88 0.90 2z9zA1 VAL 414 H -0.16 0.17 0.20 -0.55 8.24 7.89 2z9zA1 VAL 414 HA -0.10 0.10 0.61 -0.75 4.13 3.99 2z9zA1 VAL 414 HB -0.20 0.03 0.21 -0.04 2.12 2.12 2z9zA1 VAL 414 HG13 -0.13 0.01 -0.03 -0.04 0.97 0.79 2z9zA1 VAL 414 HG23 -0.18 -0.01 0.11 -0.04 0.95 0.83 2z9zA1 LEU 415 H -0.08 0.62 0.44 -0.55 8.37 8.80 2z9zA1 LEU 415 HA -0.05 0.32 0.94 -0.75 4.35 4.81 2z9zA1 LEU 415 HB2 -0.06 -0.05 -0.06 -0.04 1.64 1.43 2z9zA1 LEU 415 HB3 -0.04 -0.01 0.07 -0.04 1.64 1.61 2z9zA1 LEU 415 HG -0.04 0.08 -0.11 -0.04 1.64 1.52 2z9zA1 LEU 415 HD13 -0.02 -0.02 -0.07 -0.04 0.93 0.78 2z9zA1 LEU 415 HD23 -0.02 0.04 -0.19 -0.04 0.89 0.68 2z9zA1 ASP 416 H -0.09 -0.02 0.16 -0.55 8.40 7.89 2z9zA1 ASP 416 HA -0.15 0.15 0.57 -0.75 4.63 4.45 2z9zA1 ASP 416 HB2 -0.07 -0.03 0.12 -0.04 2.71 2.69 2z9zA1 ASP 416 HB3 -0.10 0.08 0.05 -0.04 2.70 2.70 2z9zA1 PRO 417 HA -0.01 0.15 0.84 -0.51 4.44 4.91 2z9zA1 PRO 417 HB2 -0.27 -0.07 0.03 -0.04 2.28 1.93 2z9zA1 PRO 417 HB3 0.11 0.02 0.12 -0.04 2.02 2.23 2z9zA1 PRO 417 HG2 -0.19 -0.02 0.05 -0.04 2.03 1.82 2z9zA1 PRO 417 HG3 -0.07 0.05 0.09 -0.04 2.03 2.06 2z9zA1 PRO 417 HD2 -0.32 0.17 0.24 -0.04 3.68 3.73 2z9zA1 PRO 417 HD3 -0.15 -0.00 -0.05 -0.04 3.65 3.41 2z9zA1 LEU 418 H 0.06 0.51 0.49 -0.55 8.37 8.88 2z9zA1 LEU 418 HA 0.22 0.26 1.09 -0.75 4.35 5.17 2z9zA1 LEU 418 HB2 -0.13 0.05 0.02 -0.04 1.64 1.55 2z9zA1 LEU 418 HB3 -0.24 -0.06 0.24 -0.04 1.64 1.53 2z9zA1 LEU 418 HG 0.06 0.17 0.14 -0.04 1.64 1.97 2z9zA1 LEU 418 HD13 -0.11 -0.02 -0.07 -0.04 0.93 0.69 2z9zA1 LEU 418 HD23 -0.25 -0.04 -0.18 -0.04 0.89 0.38 2z9zA1 LYS 419 H 0.34 0.63 0.38 -0.55 8.42 9.22 2z9zA1 LYS 419 HA 0.07 0.31 1.01 -0.75 4.32 4.95 2z9zA1 LYS 419 HB2 -0.12 0.02 -0.08 -0.04 1.87 1.65 2z9zA1 LYS 419 HB3 -0.25 -0.10 0.03 -0.04 1.79 1.43 2z9zA1 LYS 419 HG2 -0.12 -0.07 -0.27 -0.04 1.46 0.96 2z9zA1 LYS 419 HG3 -0.09 0.07 0.04 -0.04 1.46 1.44 2z9zA1 LYS 419 HD2 -0.37 0.02 -0.01 -0.04 1.69 1.28 2z9zA1 LYS 419 HD3 -0.75 -0.14 -0.07 -0.04 1.68 0.68 2z9zA1 LYS 419 HE2 -0.17 0.41 0.09 -0.04 2.99 3.27 2z9zA1 LYS 419 HE3 -0.34 0.15 -0.01 -0.04 2.99 2.75 2z9zA1 ALA 420 H 0.16 0.73 0.47 -0.55 8.40 9.21 2z9zA1 ALA 420 HA 0.19 0.29 1.25 -0.75 4.34 5.31 2z9zA1 ALA 420 HB3 0.16 -0.02 0.04 -0.04 1.41 1.55 2z9zA1 THR 421 H 0.14 0.55 0.48 -0.55 8.28 8.90 2z9zA1 THR 421 HA 0.08 0.36 0.99 -0.75 4.39 5.07 2z9zA1 THR 421 HB 0.06 0.04 0.23 -0.04 4.32 4.60 2z9zA1 THR 421 HG23 0.01 -0.01 0.01 -0.04 1.22 1.19 2z9zA1 HIS 422 H 0.11 0.57 0.43 -0.55 8.41 8.98 2z9zA1 HIS 422 HA -0.00 0.29 0.64 -0.75 4.63 4.80 2z9zA1 HIS 422 HB2 -0.02 -0.01 -0.37 -0.04 3.26 2.83 2z9zA1 HIS 422 HB3 -0.02 -0.04 -0.10 -0.04 3.20 2.99 2z9zA1 HIS 422 HD2 -0.09 0.02 -0.14 -0.04 6.97 6.71 2z9zA1 HIS 422 HE1 -0.04 -0.07 0.06 -0.04 7.75 7.66 2z9zA1 ALA 423 H 0.39 0.26 0.13 -0.55 8.40 8.64 2z9zA1 ALA 423 HA -0.02 0.27 0.84 -0.75 4.34 4.69 2z9zA1 ALA 423 HB3 0.03 0.00 0.04 -0.04 1.41 1.44 2z9zA1 VAL 424 H -0.10 0.56 0.20 -0.55 8.24 8.36 2z9zA1 VAL 424 HA -0.19 0.14 0.91 -0.75 4.13 4.23 2z9zA1 VAL 424 HB -0.18 -0.05 0.10 -0.04 2.12 1.95 2z9zA1 VAL 424 HG13 -0.22 0.04 -0.13 -0.04 0.97 0.63 2z9zA1 VAL 424 HG23 -0.50 0.00 -0.21 -0.04 0.95 0.20 2z9zA1 LYS 425 H -0.08 0.15 0.16 -0.55 8.42 8.10 2z9zA1 LYS 425 HA -0.05 0.08 0.68 -0.75 4.32 4.27 2z9zA1 LYS 425 HB2 -0.06 -0.02 0.14 -0.04 1.87 1.88 2z9zA1 LYS 425 HB3 -0.04 0.09 0.08 -0.04 1.79 1.88 2z9zA1 LYS 425 HG2 -0.03 0.05 0.05 -0.04 1.46 1.49 2z9zA1 LYS 425 HG3 -0.03 -0.05 0.07 -0.04 1.46 1.40 2z9zA1 LYS 425 HD2 -0.03 -0.01 0.05 -0.04 1.69 1.66 2z9zA1 LYS 425 HD3 -0.02 0.02 0.03 -0.04 1.68 1.67 2z9zA1 LYS 425 HE2 -0.01 0.01 0.01 -0.04 2.99 2.96 2z9zA1 LYS 425 HE3 -0.01 -0.01 0.04 -0.04 2.99 2.97 2z9zA1 GLY 426 H -0.06 0.64 0.37 -0.55 8.43 8.83 2z9zA1 GLY 426 HA2 -0.07 0.24 0.47 -0.51 4.01 4.14 2z9zA1 GLY 426 HA3 -0.08 -0.00 0.20 -0.51 4.01 3.61 2z9zA1 VAL 427 H -0.10 0.22 -0.22 -0.55 8.24 7.59 2z9zA1 VAL 427 HA -0.15 0.16 0.60 -0.75 4.13 3.98 2z9zA1 VAL 427 HB -0.16 -0.07 -0.02 -0.04 2.12 1.82 2z9zA1 VAL 427 HG13 -0.20 0.04 -0.33 -0.04 0.97 0.43 2z9zA1 VAL 427 HG23 -0.15 0.00 -0.27 -0.04 0.95 0.49 2z9zA1 THR 428 H -0.16 0.16 0.08 -0.55 8.28 7.82 2z9zA1 THR 428 HA -0.05 0.25 0.78 -0.75 4.39 4.61 2z9zA1 THR 428 HB -0.04 -0.10 0.08 -0.04 4.32 4.22 2z9zA1 THR 428 HG23 -0.49 0.03 -0.28 -0.04 1.22 0.44 2z9zA1 GLY 429 H 0.05 0.19 0.01 -0.55 8.43 8.14 2z9zA1 GLY 429 HA2 0.04 0.11 0.28 -0.51 4.01 3.92 2z9zA1 GLY 429 HA3 0.13 0.13 0.11 -0.51 4.01 3.87 2z9zA1 HIS 430 H -0.18 0.05 -0.18 -0.55 8.41 7.56 2z9zA1 HIS 430 HA -1.68 0.08 0.38 -0.75 4.63 2.66 2z9zA1 HIS 430 HB2 -0.76 -0.10 0.03 -0.04 3.26 2.40 2z9zA1 HIS 430 HB3 -0.44 0.21 0.00 -0.04 3.20 2.94 2z9zA1 HIS 430 HD2 -1.16 -0.10 0.02 -0.04 6.97 5.68 2z9zA1 HIS 430 HE1 0.02 -0.00 -0.09 -0.04 7.75 7.63 2z9zA1 GLU 431 H -0.18 0.08 -0.24 -0.55 8.60 7.72 2z9zA1 GLU 431 HA -0.13 0.07 0.40 -0.75 4.29 3.88 2z9zA1 GLU 431 HB2 -0.11 -0.05 0.13 -0.04 2.09 2.02 2z9zA1 GLU 431 HB3 0.02 0.09 -0.02 -0.04 1.99 2.03 2z9zA1 GLU 431 HG2 -0.11 0.06 0.05 -0.04 2.34 2.30 2z9zA1 GLU 431 HG3 -0.23 0.09 0.10 -0.04 2.34 2.26 2z9zA1 VAL 432 H -0.04 0.51 -0.15 -0.55 8.24 8.01 2z9zA1 VAL 432 HA 0.05 0.05 0.29 -0.75 4.13 3.77 2z9zA1 VAL 432 HB 0.04 0.01 0.01 -0.04 2.12 2.14 2z9zA1 VAL 432 HG13 0.16 0.00 -0.25 -0.04 0.97 0.85 2z9zA1 VAL 432 HG23 -0.10 0.03 -0.15 -0.04 0.95 0.69 2z9zA1 CYS 433 H 0.07 0.61 -0.22 -0.55 8.50 8.42 2z9zA1 CYS 433 HA 0.31 0.02 0.34 -0.75 4.58 4.50 2z9zA1 CYS 433 HB2 0.11 0.10 0.05 -0.04 2.97 3.19 2z9zA1 CYS 433 HB3 0.29 -0.04 -0.13 -0.04 2.97 3.05 2z9zA1 ASN 434 H 0.03 0.62 -0.14 -0.55 8.53 8.50 2z9zA1 ASN 434 HA 0.19 -0.04 0.37 -0.75 4.76 4.52 2z9zA1 ASN 434 HB2 -0.10 0.11 0.16 -0.04 2.88 3.01 2z9zA1 ASN 434 HB3 -0.14 -0.03 -0.09 -0.04 2.79 2.48 2z9zA1 ASN 434 HD21 -0.40 -0.04 -0.08 -0.04 7.03 6.47 2z9zA1 ASN 434 HD22 -0.36 0.00 -0.08 -0.04 7.74 7.26 2z9zA1 TYR 435 H 0.33 0.62 -0.23 -0.55 8.29 8.45 2z9zA1 TYR 435 HA 0.29 -0.00 0.38 -0.75 4.56 4.47 2z9zA1 TYR 435 HB2 0.12 0.10 0.08 -0.04 3.06 3.32 2z9zA1 TYR 435 HB3 0.28 -0.01 -0.08 -0.04 2.98 3.12 2z9zA1 TYR 435 HD2 0.22 0.15 -0.05 -0.04 7.15 7.43 2z9zA1 TYR 435 HE2 -0.05 -0.02 -0.06 -0.04 6.85 6.67 2z9zA1 PHE 436 H 0.58 0.44 -0.24 -0.55 8.34 8.57 2z9zA1 PHE 436 HA -0.16 0.02 0.31 -0.75 4.62 4.04 2z9zA1 PHE 436 HB2 -0.01 0.05 0.02 -0.04 3.15 3.17 2z9zA1 PHE 436 HB3 0.18 0.03 0.06 -0.04 3.06 3.29 2z9zA1 PHE 436 HD2 -0.66 0.00 -0.11 -0.04 7.28 6.46 2z9zA1 PHE 436 HE2 0.03 -0.01 -0.15 -0.04 7.38 7.21 2z9zA1 PHE 436 HZ 0.22 -0.02 -0.15 -0.04 7.32 7.32 2z9zA1 TRP 437 H 0.52 0.52 -0.24 -0.55 7.97 8.22 2z9zA1 TRP 437 HA 0.03 0.04 0.37 -0.75 4.62 4.31 2z9zA1 TRP 437 HB2 0.21 -0.02 -0.04 -0.04 3.23 3.34 2z9zA1 TRP 437 HB3 0.15 0.07 0.01 -0.04 3.23 3.41 2z9zA1 TRP 437 HD1 0.11 -0.00 -0.32 -0.04 7.22 6.96 2z9zA1 TRP 437 HE1 0.04 0.25 -0.38 -0.04 10.20 10.08 2z9zA1 TRP 437 HE3 0.08 0.09 -0.21 -0.04 7.59 7.51 2z9zA1 TRP 437 HZ2 0.03 -0.12 -0.38 -0.04 7.44 6.93 2z9zA1 TRP 437 HZ3 0.06 -0.02 -0.02 -0.04 7.13 7.10 2z9zA1 TRP 437 HH2 0.05 0.18 0.06 -0.04 7.19 7.44 2z9zA1 ASN 438 H 0.34 0.50 -0.19 -0.55 8.53 8.64 2z9zA1 ASN 438 HA -0.09 -0.06 0.37 -0.75 4.76 4.23 2z9zA1 ASN 438 HB2 0.21 0.10 0.09 -0.04 2.88 3.24 2z9zA1 ASN 438 HB3 0.16 0.10 0.12 -0.04 2.79 3.13 2z9zA1 ASN 438 HD21 0.05 -0.01 -0.11 -0.04 7.03 6.92 2z9zA1 ASN 438 HD22 0.02 0.10 -0.09 -0.04 7.74 7.73 2z9zA1 VAL 439 H -0.34 0.16 0.22 -0.55 8.24 7.73 2z9zA1 VAL 439 HA -0.14 0.14 0.42 -0.75 4.13 3.79 2z9zA1 VAL 439 HB 0.18 -0.00 0.00 -0.04 2.12 2.25 2z9zA1 VAL 439 HG13 -0.35 0.04 -0.01 -0.04 0.97 0.61 2z9zA1 VAL 439 HG23 -0.15 -0.00 0.04 -0.04 0.95 0.80 2z9zA1 ASP 440 H -0.01 0.07 -0.16 -0.55 8.40 7.75 2z9zA1 ASP 440 HA 0.03 0.06 0.32 -0.75 4.63 4.29 2z9zA1 ASP 440 HB2 0.05 0.04 -0.07 -0.04 2.71 2.70 2z9zA1 ASP 440 HB3 0.04 0.04 0.05 -0.04 2.70 2.79 2z9zA1 VAL 441 H 0.12 0.34 -0.67 -0.55 8.24 7.48 2z9zA1 VAL 441 HA 0.14 0.20 0.99 -0.75 4.13 4.70 2z9zA1 VAL 441 HB 0.50 -0.02 0.10 -0.04 2.12 2.66 2z9zA1 VAL 441 HG13 0.21 -0.02 -0.18 -0.04 0.97 0.93 2z9zA1 VAL 441 HG23 0.42 0.02 -0.06 -0.04 0.95 1.29 2z9zA1 ARG 442 H 0.03 0.40 -0.06 -0.55 8.46 8.28 2z9zA1 ARG 442 HA -0.62 0.10 0.33 -0.75 4.34 3.38 2z9zA1 ARG 442 HB2 -0.07 0.02 0.06 -0.04 1.90 1.87 2z9zA1 ARG 442 HB3 -0.61 -0.05 -0.06 -0.04 1.80 1.04 2z9zA1 ARG 442 HG2 -0.13 0.14 0.05 -0.04 1.67 1.69 2z9zA1 ARG 442 HG3 -0.59 -0.08 0.00 -0.04 1.67 0.96 2z9zA1 ARG 442 HD2 -0.59 -0.09 -0.09 -0.04 3.22 2.41 2z9zA1 ARG 442 HD3 -0.23 0.02 -0.07 -0.04 3.22 2.90 2z9zA1 ASN 443 H -0.08 0.14 -0.24 -0.55 8.53 7.81 2z9zA1 ASN 443 HA -0.18 0.13 0.35 -0.75 4.76 4.31 2z9zA1 ASN 443 HB2 -0.06 0.04 -0.03 -0.04 2.88 2.79 2z9zA1 ASN 443 HB3 -0.05 -0.02 0.03 -0.04 2.79 2.72 2z9zA1 ASN 443 HD21 0.01 0.01 -0.03 -0.04 7.03 6.98 2z9zA1 ASN 443 HD22 -0.02 -0.01 -0.07 -0.04 7.74 7.60 2z9zA1 ASP 444 H -0.11 0.24 -0.36 -0.55 8.40 7.62 2z9zA1 ASP 444 HA -0.02 0.04 0.27 -0.75 4.63 4.16 2z9zA1 ASP 444 HB2 -0.08 0.15 0.04 -0.04 2.71 2.77 2z9zA1 ASP 444 HB3 0.12 -0.03 0.02 -0.04 2.70 2.78 2z9zA1 TRP 445 H -0.52 0.18 -0.31 -0.55 7.97 6.78 2z9zA1 TRP 445 HA -0.12 0.21 0.94 -0.75 4.62 4.90 2z9zA1 TRP 445 HB2 0.06 -0.08 -0.09 -0.04 3.23 3.08 2z9zA1 TRP 445 HB3 -0.73 -0.00 -0.16 -0.04 3.23 2.30 2z9zA1 TRP 445 HD1 -0.41 0.02 -0.08 -0.04 7.22 6.71 2z9zA1 TRP 445 HE1 0.16 0.13 -0.22 -0.04 10.20 10.23 2z9zA1 TRP 445 HE3 0.31 -0.03 -0.37 -0.04 7.59 7.46 2z9zA1 TRP 445 HZ2 -0.24 0.19 -0.03 -0.04 7.44 7.32 2z9zA1 TRP 445 HZ3 0.01 -0.09 -0.09 -0.04 7.13 6.91 2z9zA1 TRP 445 HH2 -0.42 -0.03 -0.07 -0.04 7.19 6.62 2z9zA1 GLU 446 H -1.00 0.53 0.14 -0.55 8.60 7.72 2z9zA1 GLU 446 HA -0.12 -0.01 0.55 -0.75 4.29 3.95 2z9zA1 GLU 446 HB2 -1.61 -0.02 0.05 -0.04 2.09 0.47 2z9zA1 GLU 446 HB3 -0.93 0.24 0.08 -0.04 1.99 1.35 2z9zA1 GLU 446 HG2 -0.49 0.01 -0.12 -0.04 2.34 1.70 2z9zA1 GLU 446 HG3 -0.31 -0.05 -0.39 -0.04 2.34 1.54 2z9zA1 THR 447 H -0.03 -0.02 0.19 -0.55 8.28 7.87 2z9zA1 THR 447 HA -0.07 0.34 0.95 -0.75 4.39 4.86 2z9zA1 THR 447 HB -0.00 -0.00 -0.00 -0.04 4.32 4.28 2z9zA1 THR 447 HG23 0.04 0.05 -0.16 -0.04 1.22 1.11 2z9zA1 THR 448 H -0.05 -0.01 0.10 -0.55 8.28 7.78 2z9zA1 THR 448 HA -0.02 0.18 0.46 -0.75 4.39 4.26 2z9zA1 THR 448 HB 0.05 0.05 0.08 -0.04 4.32 4.46 2z9zA1 THR 448 HG23 -0.02 -0.00 0.01 -0.04 1.22 1.17 2z9zA1 ILE 449 H -0.16 0.08 -0.42 -0.55 8.25 7.20 2z9zA1 ILE 449 HA -0.36 0.10 0.76 -0.75 4.18 3.92 2z9zA1 ILE 449 HB -0.24 0.03 -0.12 -0.04 1.89 1.53 2z9zA1 ILE 449 HG12 -0.68 0.04 -0.17 -0.04 1.49 0.65 2z9zA1 ILE 449 HG13 -0.32 -0.12 -0.19 -0.04 1.21 0.54 2z9zA1 ILE 449 HG23 -0.08 0.03 -0.33 -0.04 0.93 0.51 2z9zA1 ILE 449 HD13 -0.46 0.00 -0.15 -0.04 0.88 0.23 2z9zA1 GLU 450 H -0.17 0.56 0.32 -0.55 8.60 8.76 2z9zA1 GLU 450 HA -0.07 0.17 0.64 -0.75 4.29 4.28 2z9zA1 GLU 450 HB2 -0.07 -0.04 -0.21 -0.04 2.09 1.74 2z9zA1 GLU 450 HB3 -0.08 -0.04 -0.14 -0.04 1.99 1.69 2z9zA1 GLU 450 HG2 -0.04 -0.03 -0.23 -0.04 2.34 1.99 2z9zA1 GLU 450 HG3 -0.05 0.03 -0.04 -0.04 2.34 2.24 2z9zA1 ASN 451 H -0.08 0.30 0.25 -0.55 8.53 8.45 2z9zA1 ASN 451 HA -0.10 0.18 0.62 -0.75 4.76 4.70 2z9zA1 ASN 451 HB2 -0.02 -0.08 -0.07 -0.04 2.88 2.67 2z9zA1 ASN 451 HB3 0.00 -0.00 -0.07 -0.04 2.79 2.67 2z9zA1 ASN 451 HD21 -0.08 -0.00 0.02 -0.04 7.03 6.92 2z9zA1 ASN 451 HD22 -0.06 -0.01 0.00 -0.04 7.74 7.63 2z9zA1 PHE 452 H -0.33 0.32 0.20 -0.55 8.34 7.98 2z9zA1 PHE 452 HA -0.11 0.14 0.60 -0.75 4.62 4.50 2z9zA1 PHE 452 HB2 -0.22 0.11 0.11 -0.04 3.15 3.11 2z9zA1 PHE 452 HB3 -0.22 0.01 -0.05 -0.04 3.06 2.76 2z9zA1 PHE 452 HD2 -0.19 -0.02 -0.35 -0.04 7.28 6.67 2z9zA1 PHE 452 HE2 -0.19 -0.02 -0.13 -0.04 7.38 7.00 2z9zA1 PHE 452 HZ -0.17 0.10 -0.02 -0.04 7.32 7.19 2z9zA1 HIS 453 H -0.10 0.69 0.38 -0.55 8.41 8.84 2z9zA1 HIS 453 HA -0.08 0.09 0.54 -0.75 4.63 4.42 2z9zA1 HIS 453 HB2 -0.07 0.02 0.09 -0.04 3.26 3.27 2z9zA1 HIS 453 HB3 -0.10 0.07 -0.10 -0.04 3.20 3.03 2z9zA1 HIS 453 HD2 -0.05 0.19 -0.50 -0.04 6.97 6.56 2z9zA1 HIS 453 HE1 -0.10 0.01 -0.08 -0.04 7.75 7.53 2z9zA1 VAL 454 H 0.05 0.15 0.13 -0.55 8.24 8.02 2z9zA1 VAL 454 HA -0.13 0.13 0.79 -0.75 4.13 4.16 2z9zA1 VAL 454 HB -0.02 -0.00 0.14 -0.04 2.12 2.20 2z9zA1 VAL 454 HG13 -0.07 -0.01 -0.17 -0.04 0.97 0.68 2z9zA1 VAL 454 HG23 -0.09 0.00 0.00 -0.04 0.95 0.83 2z9zA1 VAL 455 H -0.18 0.68 0.47 -0.55 8.24 8.67 2z9zA1 VAL 455 HA 0.03 0.10 0.52 -0.75 4.13 4.03 2z9zA1 VAL 455 HB -0.30 -0.00 -0.03 -0.04 2.12 1.75 2z9zA1 VAL 455 HG13 -0.52 -0.02 -0.14 -0.04 0.97 0.25 2z9zA1 VAL 455 HG23 -0.17 0.00 -0.06 -0.04 0.95 0.68 2z9zA1 GLU 456 H -0.12 0.35 0.20 -0.55 8.60 8.48 2z9zA1 GLU 456 HA -0.01 0.15 0.55 -0.75 4.29 4.23 2z9zA1 GLU 456 HB2 0.02 0.13 -0.15 -0.04 2.09 2.04 2z9zA1 GLU 456 HB3 -0.02 -0.10 -0.06 -0.04 1.99 1.77 2z9zA1 GLU 456 HG2 0.07 -0.02 -0.42 -0.04 2.34 1.93 2z9zA1 GLU 456 HG3 0.08 0.06 0.04 -0.04 2.34 2.47 2z9zA1 THR 457 H 0.02 0.25 0.14 -0.55 8.28 8.13 2z9zA1 THR 457 HA 0.01 0.13 1.08 -0.75 4.39 4.85 2z9zA1 THR 457 HB 0.04 -0.00 0.15 -0.04 4.32 4.46 2z9zA1 THR 457 HG23 0.07 0.02 -0.11 -0.04 1.22 1.16 2z9zA1 LEU 458 H 0.00 0.53 0.34 -0.55 8.37 8.69 2z9zA1 LEU 458 HA 0.03 0.11 0.68 -0.75 4.35 4.40 2z9zA1 LEU 458 HB2 -0.26 0.07 -0.02 -0.04 1.64 1.39 2z9zA1 LEU 458 HB3 -0.42 -0.11 -0.00 -0.04 1.64 1.06 2z9zA1 LEU 458 HG -0.01 -0.01 -0.21 -0.04 1.64 1.37 2z9zA1 LEU 458 HD13 -0.07 -0.01 -0.19 -0.04 0.93 0.61 2z9zA1 LEU 458 HD23 0.19 -0.01 -0.06 -0.04 0.89 0.96 2z9zA1 ALA 459 H 0.04 0.56 0.31 -0.55 8.40 8.77 2z9zA1 ALA 459 HA 0.08 0.17 0.50 -0.75 4.34 4.33 2z9zA1 ALA 459 HB3 0.11 0.01 0.05 -0.04 1.41 1.54 2z9zA1 ASP 460 H 0.08 0.19 0.17 -0.55 8.40 8.29 2z9zA1 ASP 460 HA 0.13 0.10 0.48 -0.75 4.63 4.59 2z9zA1 ASP 460 HB2 0.05 -0.04 0.16 -0.04 2.71 2.85 2z9zA1 ASP 460 HB3 0.06 0.06 0.02 -0.04 2.70 2.80 2z9zA1 ASN 461 H 0.06 -0.02 -0.22 -0.55 8.53 7.80 2z9zA1 ASN 461 HA -0.44 0.24 0.69 -0.75 4.76 4.48 2z9zA1 ASN 461 HB2 -0.29 0.19 0.29 -0.04 2.88 3.03 2z9zA1 ASN 461 HB3 -0.13 -0.03 0.02 -0.04 2.79 2.61 2z9zA1 ASN 461 HD21 0.03 -0.07 -0.01 -0.04 7.03 6.94 2z9zA1 ASN 461 HD22 -0.06 0.47 0.19 -0.04 7.74 8.30 2z9zA1 ALA 462 H 0.20 0.27 -0.25 -0.55 8.40 8.07 2z9zA1 ALA 462 HA 0.28 0.38 1.09 -0.75 4.34 5.34 2z9zA1 ALA 462 HB3 -0.01 -0.02 -0.08 -0.04 1.41 1.26 2z9zA1 ILE 463 H 0.16 0.74 0.41 -0.55 8.25 9.01 2z9zA1 ILE 463 HA -0.01 0.04 1.12 -0.75 4.18 4.57 2z9zA1 ILE 463 HB -0.13 0.03 0.11 -0.04 1.89 1.86 2z9zA1 ILE 463 HG12 -0.03 0.10 0.06 -0.04 1.49 1.59 2z9zA1 ILE 463 HG13 -0.21 -0.06 -0.01 -0.04 1.21 0.89 2z9zA1 ILE 463 HG23 0.08 -0.03 -0.13 -0.04 0.93 0.81 2z9zA1 ILE 463 HD13 -0.59 0.01 -0.04 -0.04 0.88 0.23 2z9zA1 ILE 464 H -0.12 0.68 0.40 -0.55 8.25 8.66 2z9zA1 ILE 464 HA -0.29 0.32 1.19 -0.75 4.18 4.64 2z9zA1 ILE 464 HB -0.17 -0.09 0.13 -0.04 1.89 1.72 2z9zA1 ILE 464 HG12 -0.25 0.05 -0.10 -0.04 1.49 1.15 2z9zA1 ILE 464 HG13 -0.10 -0.10 -0.22 -0.04 1.21 0.76 2z9zA1 ILE 464 HG23 -0.19 0.01 -0.26 -0.04 0.93 0.45 2z9zA1 ILE 464 HD13 0.15 0.00 -0.09 -0.04 0.88 0.90 2z9zA1 ILE 465 H -0.57 0.75 0.36 -0.55 8.25 8.23 2z9zA1 ILE 465 HA -0.32 0.14 0.99 -0.75 4.18 4.24 2z9zA1 ILE 465 HB -1.33 0.01 0.07 -0.04 1.89 0.59 2z9zA1 ILE 465 HG12 -0.32 -0.02 -0.18 -0.04 1.49 0.93 2z9zA1 ILE 465 HG13 -0.44 -0.06 -0.26 -0.04 1.21 0.41 2z9zA1 ILE 465 HG23 -0.36 -0.00 -0.30 -0.04 0.93 0.23 2z9zA1 ILE 465 HD13 -0.40 0.02 -0.10 -0.04 0.88 0.35 2z9zA1 TYR 466 H -0.33 0.56 0.41 -0.55 8.29 8.38 2z9zA1 TYR 466 HA -0.20 0.31 1.14 -0.75 4.56 5.05 2z9zA1 TYR 466 HB2 -0.25 -0.03 0.10 -0.04 3.06 2.84 2z9zA1 TYR 466 HB3 -0.70 -0.03 0.15 -0.04 2.98 2.36 2z9zA1 TYR 466 HD2 -0.07 -0.04 -0.12 -0.04 7.15 6.88 2z9zA1 TYR 466 HE2 0.02 -0.03 -0.14 -0.04 6.85 6.66 2z9zA1 GLN 467 H -0.79 0.62 0.37 -0.55 8.47 8.12 2z9zA1 GLN 467 HA -0.31 0.13 0.80 -0.75 4.36 4.23 2z9zA1 GLN 467 HB2 -0.20 0.14 0.11 -0.04 2.15 2.16 2z9zA1 GLN 467 HB3 -0.14 -0.03 -0.17 -0.04 2.02 1.64 2z9zA1 GLN 467 HG2 -0.01 -0.02 -0.11 -0.04 2.40 2.22 2z9zA1 GLN 467 HG3 -0.25 -0.01 -0.30 -0.04 2.39 1.79 2z9zA1 GLN 467 HE21 -0.15 0.01 -0.18 -0.04 6.97 6.61 2z9zA1 GLN 467 HE22 0.12 -0.01 -0.22 -0.04 7.69 7.53 2z9zA1 THR 468 H -0.19 0.68 0.41 -0.55 8.28 8.63 2z9zA1 THR 468 HA -0.14 0.24 1.10 -0.75 4.39 4.84 2z9zA1 THR 468 HB -0.02 -0.03 0.02 -0.04 4.32 4.25 2z9zA1 THR 468 HG23 -0.04 -0.04 0.05 -0.04 1.22 1.15 2z9zA1 HIS 469 H 0.02 0.67 0.37 -0.55 8.41 8.93 2z9zA1 HIS 469 HA -0.10 0.06 1.09 -0.75 4.63 4.92 2z9zA1 HIS 469 HB2 -0.13 -0.06 0.16 -0.04 3.26 3.19 2z9zA1 HIS 469 HB3 -0.13 0.20 0.06 -0.04 3.20 3.29 2z9zA1 HIS 469 HD2 -0.11 0.02 -0.32 -0.04 6.97 6.52 2z9zA1 HIS 469 HE1 -0.16 -0.03 -0.19 -0.04 7.75 7.32 2z9zA1 LYS 470 H -0.04 0.58 0.22 -0.55 8.42 8.62 2z9zA1 LYS 470 HA -0.06 -0.02 0.56 -0.75 4.32 4.05 2z9zA1 LYS 470 HB2 -0.04 0.03 0.00 -0.04 1.87 1.82 2z9zA1 LYS 470 HB3 -0.05 0.02 0.00 -0.04 1.79 1.72 2z9zA1 LYS 470 HG2 -0.05 -0.06 -0.05 -0.04 1.46 1.26 2z9zA1 LYS 470 HG3 -0.07 -0.07 -0.36 -0.04 1.46 0.92 2z9zA1 LYS 470 HD2 -0.05 0.23 -0.02 -0.04 1.69 1.81 2z9zA1 LYS 470 HD3 -0.04 -0.08 -0.04 -0.04 1.68 1.49 2z9zA1 LYS 470 HE2 -0.05 -0.12 -0.03 -0.04 2.99 2.76 2z9zA1 LYS 470 HE3 -0.06 0.21 -0.14 -0.04 2.99 2.96 2z9zA1 ARG 471 H -0.10 0.08 0.15 -0.55 8.46 8.03 2z9zA1 ARG 471 HA -0.31 0.03 0.52 -0.75 4.34 3.83 2z9zA1 ARG 471 HB2 -0.10 -0.06 0.15 -0.04 1.90 1.85 2z9zA1 ARG 471 HB3 -0.19 0.09 0.01 -0.04 1.80 1.68 2z9zA1 ARG 471 HG2 -0.21 0.24 0.02 -0.04 1.67 1.68 2z9zA1 ARG 471 HG3 -0.12 -0.10 0.12 -0.04 1.67 1.53 2z9zA1 ARG 471 HD2 -0.07 -0.07 0.06 -0.04 3.22 3.10 2z9zA1 ARG 471 HD3 -0.09 -0.07 0.08 -0.04 3.22 3.10 2z9zA1 VAL 472 H -0.37 0.11 0.23 -0.55 8.24 7.66 2z9zA1 VAL 472 HA -0.01 0.22 0.90 -0.75 4.13 4.48 2z9zA1 VAL 472 HB 0.12 -0.04 0.07 -0.04 2.12 2.24 2z9zA1 VAL 472 HG13 -0.01 0.03 -0.08 -0.04 0.97 0.87 2z9zA1 VAL 472 HG23 0.03 0.01 0.01 -0.04 0.95 0.96 2z9zA1 TRP 473 H -0.47 0.15 0.11 -0.55 7.97 7.21 2z9zA1 TRP 473 HA -0.01 0.18 0.26 -0.75 4.62 4.30 2z9zA1 TRP 473 HB2 -0.01 0.01 0.06 -0.04 3.23 3.25 2z9zA1 TRP 473 HB3 -0.02 0.05 -0.01 -0.04 3.23 3.21 2z9zA1 TRP 473 HD1 0.01 0.11 -0.35 -0.04 7.22 6.94 2z9zA1 TRP 473 HE1 -0.00 0.05 -0.08 -0.04 10.20 10.13 2z9zA1 TRP 473 HE3 -0.04 -0.00 -0.23 -0.04 7.59 7.27 2z9zA1 TRP 473 HZ2 -0.03 0.09 -0.10 -0.04 7.44 7.36 2z9zA1 TRP 473 HZ3 -0.07 0.01 -0.06 -0.04 7.13 6.96 2z9zA1 TRP 473 HH2 -0.06 0.04 -0.04 -0.04 7.19 7.09 2z9zA1 PRO 474 HA -0.02 0.09 0.49 -0.51 4.44 4.49 2z9zA1 PRO 474 HB2 0.10 -0.00 0.19 -0.04 2.28 2.53 2z9zA1 PRO 474 HB3 0.05 0.03 0.09 -0.04 2.02 2.14 2z9zA1 PRO 474 HG2 0.09 0.01 0.08 -0.04 2.03 2.18 2z9zA1 PRO 474 HG3 0.07 0.06 0.02 -0.04 2.03 2.14 2z9zA1 PRO 474 HD2 0.23 0.06 0.14 -0.04 3.68 4.07 2z9zA1 PRO 474 HD3 0.18 0.13 0.13 -0.04 3.65 4.05 2z9zA1 ALA 475 H -0.17 0.45 0.41 -0.55 8.40 8.55 2z9zA1 ALA 475 HA 0.04 0.01 0.41 -0.75 4.34 4.05 2z9zA1 ALA 475 HB3 0.02 0.01 0.01 -0.04 1.41 1.41 2z9zA1 SER 476 H 0.01 0.07 0.15 -0.55 8.46 8.14 2z9zA1 SER 476 HA -0.05 0.03 0.58 -0.75 4.49 4.30 2z9zA1 SER 476 HB2 -0.01 0.17 0.13 -0.04 3.95 4.19 2z9zA1 SER 476 HB3 0.01 -0.01 0.15 -0.04 3.93 4.03 2z9zA1 GLN 477 H -0.07 0.10 0.25 -0.55 8.47 8.21 2z9zA1 GLN 477 HA -0.19 0.09 0.56 -0.75 4.36 4.07 2z9zA1 GLN 477 HB2 -0.04 -0.06 0.11 -0.04 2.15 2.12 2z9zA1 GLN 477 HB3 -0.06 0.15 0.14 -0.04 2.02 2.21 2z9zA1 GLN 477 HG2 -0.09 0.05 0.13 -0.04 2.40 2.45 2z9zA1 GLN 477 HG3 -0.08 -0.06 0.14 -0.04 2.39 2.35 2z9zA1 GLN 477 HE21 -0.03 -0.02 0.01 -0.04 6.97 6.89 2z9zA1 GLN 477 HE22 -0.04 -0.01 0.06 -0.04 7.69 7.66 2z9zA1 ARG 478 H -0.13 0.17 0.23 -0.55 8.46 8.18 2z9zA1 ARG 478 HA -0.01 0.27 1.05 -0.75 4.34 4.89 2z9zA1 ARG 478 HB2 -0.15 -0.07 0.16 -0.04 1.90 1.80 2z9zA1 ARG 478 HB3 -0.04 -0.00 -0.00 -0.04 1.80 1.71 2z9zA1 ARG 478 HG2 0.04 -0.06 0.03 -0.04 1.67 1.64 2z9zA1 ARG 478 HG3 0.04 0.12 0.03 -0.04 1.67 1.82 2z9zA1 ARG 478 HD2 -0.09 -0.04 -0.32 -0.04 3.22 2.73 2z9zA1 ARG 478 HD3 -0.29 -0.08 -0.04 -0.04 3.22 2.77 2z9zA1 ASP 479 H 0.04 0.55 0.25 -0.55 8.40 8.68 2z9zA1 ASP 479 HA -0.04 0.23 0.85 -0.75 4.63 4.92 2z9zA1 ASP 479 HB2 -0.27 0.09 0.15 -0.04 2.71 2.64 2z9zA1 ASP 479 HB3 0.02 -0.07 0.03 -0.04 2.70 2.64 2z9zA1 VAL 480 H -0.24 0.63 0.39 -0.55 8.24 8.47 2z9zA1 VAL 480 HA 0.06 0.24 0.86 -0.75 4.13 4.54 2z9zA1 VAL 480 HB 0.16 -0.04 -0.12 -0.04 2.12 2.08 2z9zA1 VAL 480 HG13 0.07 0.02 -0.15 -0.04 0.97 0.86 2z9zA1 VAL 480 HG23 0.11 0.03 -0.38 -0.04 0.95 0.67 2z9zA1 LEU 481 H 0.12 0.29 0.18 -0.55 8.37 8.41 2z9zA1 LEU 481 HA -0.02 0.30 0.98 -0.75 4.35 4.86 2z9zA1 LEU 481 HB2 0.21 0.01 -0.01 -0.04 1.64 1.80 2z9zA1 LEU 481 HB3 0.11 0.06 0.24 -0.04 1.64 2.01 2z9zA1 LEU 481 HG 0.02 -0.04 -0.21 -0.04 1.64 1.36 2z9zA1 LEU 481 HD13 0.02 0.01 -0.09 -0.04 0.93 0.83 2z9zA1 LEU 481 HD23 0.12 0.05 0.04 -0.04 0.89 1.06 2z9zA1 TYR 482 H -0.36 0.58 0.29 -0.55 8.29 8.25 2z9zA1 TYR 482 HA -0.16 0.11 1.00 -0.75 4.56 4.75 2z9zA1 TYR 482 HB2 -0.15 0.02 -0.31 -0.04 3.06 2.58 2z9zA1 TYR 482 HB3 -0.06 -0.05 -0.47 -0.04 2.98 2.36 2z9zA1 TYR 482 HD2 -0.12 0.00 -0.41 -0.04 7.15 6.58 2z9zA1 TYR 482 HE2 -0.19 0.02 -0.20 -0.04 6.85 6.45 2z9zA1 LEU 483 H -0.47 0.65 0.32 -0.55 8.37 8.33 2z9zA1 LEU 483 HA -0.32 0.19 0.94 -0.75 4.35 4.40 2z9zA1 LEU 483 HB2 -0.69 -0.05 0.08 -0.04 1.64 0.95 2z9zA1 LEU 483 HB3 -1.30 0.02 0.16 -0.04 1.64 0.48 2z9zA1 LEU 483 HG -0.24 -0.00 -0.09 -0.04 1.64 1.27 2z9zA1 LEU 483 HD13 -0.28 -0.02 -0.07 -0.04 0.93 0.52 2z9zA1 LEU 483 HD23 -0.09 0.01 -0.30 -0.04 0.89 0.47 2z9zA1 SER 484 H -0.09 0.74 0.43 -0.55 8.46 8.99 2z9zA1 SER 484 HA 0.18 0.36 1.06 -0.75 4.49 5.33 2z9zA1 SER 484 HB2 0.18 -0.03 -0.06 -0.04 3.95 3.99 2z9zA1 SER 484 HB3 -0.06 -0.06 0.15 -0.04 3.93 3.92 2z9zA1 VAL 485 H 0.29 0.63 0.38 -0.55 8.24 8.99 2z9zA1 VAL 485 HA 0.30 0.36 1.23 -0.75 4.13 5.26 2z9zA1 VAL 485 HB 0.17 -0.11 -0.10 -0.04 2.12 2.04 2z9zA1 VAL 485 HG13 0.25 -0.00 -0.01 -0.04 0.97 1.17 2z9zA1 VAL 485 HG23 0.11 0.00 -0.17 -0.04 0.95 0.85 2z9zA1 ILE 486 H -0.37 0.60 0.37 -0.55 8.25 8.30 2z9zA1 ILE 486 HA 0.00 0.30 1.16 -0.75 4.18 4.89 2z9zA1 ILE 486 HB -0.56 0.01 -0.01 -0.04 1.89 1.30 2z9zA1 ILE 486 HG12 0.30 -0.05 -0.26 -0.04 1.49 1.43 2z9zA1 ILE 486 HG13 0.25 0.08 -0.02 -0.04 1.21 1.48 2z9zA1 ILE 486 HG23 -1.24 0.00 0.07 -0.04 0.93 -0.28 2z9zA1 ILE 486 HD13 0.11 0.01 -0.25 -0.04 0.88 0.71 2z9zA1 ARG 487 H 0.05 0.71 0.36 -0.55 8.46 9.03 2z9zA1 ARG 487 HA -0.15 0.13 0.97 -0.75 4.34 4.54 2z9zA1 ARG 487 HB2 -0.03 0.00 -0.01 -0.04 1.90 1.83 2z9zA1 ARG 487 HB3 -0.11 0.07 -0.12 -0.04 1.80 1.60 2z9zA1 ARG 487 HG2 0.01 -0.02 -0.58 -0.04 1.67 1.04 2z9zA1 ARG 487 HG3 0.04 -0.03 -0.19 -0.04 1.67 1.46 2z9zA1 ARG 487 HD2 -0.05 0.03 0.05 -0.04 3.22 3.21 2z9zA1 ARG 487 HD3 0.03 -0.06 -0.08 -0.04 3.22 3.08 2z9zA1 LYS 488 H -0.49 0.17 0.16 -0.55 8.42 7.71 2z9zA1 LYS 488 HA -1.20 0.23 1.05 -0.75 4.32 3.64 2z9zA1 LYS 488 HB2 -2.22 -0.03 0.04 -0.04 1.87 -0.37 2z9zA1 LYS 488 HB3 -0.69 -0.01 0.11 -0.04 1.79 1.16 2z9zA1 LYS 488 HG2 -0.61 0.04 -0.33 -0.04 1.46 0.52 2z9zA1 LYS 488 HG3 -1.64 -0.02 -0.08 -0.04 1.46 -0.32 2z9zA1 LYS 488 HD2 -0.15 -0.03 -0.08 -0.04 1.69 1.38 2z9zA1 LYS 488 HD3 -0.28 -0.00 -0.05 -0.04 1.68 1.31 2z9zA1 LYS 488 HE2 -0.08 -0.00 -0.04 -0.04 2.99 2.83 2z9zA1 LYS 488 HE3 -0.25 -0.00 -0.03 -0.04 2.99 2.66 2z9zA1 ILE 489 H -0.40 0.95 0.29 -0.55 8.25 8.54 2z9zA1 ILE 489 HA -0.17 0.16 0.86 -0.75 4.18 4.28 2z9zA1 ILE 489 HB -0.11 -0.07 0.19 -0.04 1.89 1.86 2z9zA1 ILE 489 HG12 -0.11 0.03 -0.15 -0.04 1.49 1.22 2z9zA1 ILE 489 HG13 -0.05 0.00 -0.09 -0.04 1.21 1.04 2z9zA1 ILE 489 HG23 -0.07 0.05 -0.08 -0.04 0.93 0.79 2z9zA1 ILE 489 HD13 -0.08 0.01 -0.23 -0.04 0.88 0.54 2z9zA1 PRO 490 HA -0.11 -0.05 0.42 -0.51 4.44 4.19 2z9zA1 PRO 490 HB2 -0.06 0.18 -0.05 -0.04 2.28 2.31 2z9zA1 PRO 490 HB3 -0.08 -0.02 0.08 -0.04 2.02 1.96 2z9zA1 PRO 490 HG2 -0.07 0.03 0.03 -0.04 2.03 1.98 2z9zA1 PRO 490 HG3 -0.07 0.02 0.06 -0.04 2.03 1.99 2z9zA1 PRO 490 HD2 -0.11 0.07 0.26 -0.04 3.68 3.86 2z9zA1 PRO 490 HD3 -0.15 0.20 0.10 -0.04 3.65 3.76 2z9zA1 ALA 491 H -0.05 0.03 0.17 -0.55 8.40 8.01 2z9zA1 ALA 491 HA -0.03 0.14 0.66 -0.75 4.34 4.35 2z9zA1 ALA 491 HB3 -0.02 -0.02 -0.06 -0.04 1.41 1.27 2z9zA1 LEU 492 H -0.02 0.16 0.15 -0.55 8.37 8.10 2z9zA1 LEU 492 HA -0.03 0.14 0.51 -0.75 4.35 4.21 2z9zA1 LEU 492 HB2 -0.02 -0.03 0.07 -0.04 1.64 1.62 2z9zA1 LEU 492 HB3 -0.02 -0.01 0.09 -0.04 1.64 1.65 2z9zA1 LEU 492 HG -0.03 0.04 0.03 -0.04 1.64 1.64 2z9zA1 LEU 492 HD13 -0.02 -0.00 0.00 -0.04 0.93 0.87 2z9zA1 LEU 492 HD23 -0.03 0.01 -0.06 -0.04 0.89 0.78 2z9zA1 THR 493 H -0.02 0.15 -0.07 -0.55 8.28 7.79 2z9zA1 THR 493 HA -0.02 0.20 0.58 -0.75 4.39 4.39 2z9zA1 THR 493 HB -0.01 0.15 0.05 -0.04 4.32 4.46 2z9zA1 THR 493 HG23 -0.01 -0.00 -0.08 -0.04 1.22 1.08 2z9zA1 GLU 494 H -0.01 0.19 0.11 -0.55 8.60 8.34 2z9zA1 GLU 494 HA -0.01 0.17 0.56 -0.75 4.29 4.25 2z9zA1 GLU 494 HB2 -0.01 -0.01 0.10 -0.04 2.09 2.12 2z9zA1 GLU 494 HB3 -0.02 0.04 0.14 -0.04 1.99 2.11 2z9zA1 GLU 494 HG2 -0.02 0.03 0.01 -0.04 2.34 2.33 2z9zA1 GLU 494 HG3 -0.01 -0.02 0.01 -0.04 2.34 2.27 2z9zA1 ASN 495 H -0.01 -0.06 -0.42 -0.55 8.53 7.49 2z9zA1 ASN 495 HA -0.01 0.17 0.66 -0.75 4.76 4.83 2z9zA1 ASN 495 HB2 -0.01 -0.03 -0.03 -0.04 2.88 2.77 2z9zA1 ASN 495 HB3 -0.01 0.04 0.07 -0.04 2.79 2.85 2z9zA1 ASN 495 HD21 -0.01 0.03 -0.01 -0.04 7.03 7.00 2z9zA1 ASN 495 HD22 -0.01 -0.04 0.01 -0.04 7.74 7.66 2z9zA1 ASP 496 H -0.01 0.25 -0.22 -0.55 8.40 7.87 2z9zA1 ASP 496 HA 0.00 0.22 0.88 -0.75 4.63 4.98 2z9zA1 ASP 496 HB2 -0.01 -0.14 0.10 -0.04 2.71 2.62 2z9zA1 ASP 496 HB3 -0.01 0.15 0.06 -0.04 2.70 2.87 2z9zA1 PRO 497 HA 0.04 0.03 0.53 -0.51 4.44 4.53 2z9zA1 PRO 497 HB2 0.06 0.07 0.17 -0.04 2.28 2.53 2z9zA1 PRO 497 HB3 0.05 0.18 0.18 -0.04 2.02 2.39 2z9zA1 PRO 497 HG2 0.02 0.03 0.05 -0.04 2.03 2.09 2z9zA1 PRO 497 HG3 0.03 0.02 0.05 -0.04 2.03 2.09 2z9zA1 PRO 497 HD2 0.01 0.04 0.22 -0.04 3.68 3.91 2z9zA1 PRO 497 HD3 0.01 0.16 0.22 -0.04 3.65 4.00 2z9zA1 GLU 498 H 0.06 0.03 0.26 -0.55 8.60 8.41 2z9zA1 GLU 498 HA -0.03 0.15 0.70 -0.75 4.29 4.35 2z9zA1 GLU 498 HB2 0.09 -0.11 0.10 -0.04 2.09 2.13 2z9zA1 GLU 498 HB3 -0.11 0.09 0.01 -0.04 1.99 1.94 2z9zA1 GLU 498 HG2 -0.04 -0.27 0.18 -0.04 2.34 2.16 2z9zA1 GLU 498 HG3 0.01 0.05 0.12 -0.04 2.34 2.48 2z9zA1 THR 499 H -0.11 0.69 0.25 -0.55 8.28 8.56 2z9zA1 THR 499 HA 0.07 0.31 1.16 -0.75 4.39 5.18 2z9zA1 THR 499 HB -0.05 -0.07 0.08 -0.04 4.32 4.24 2z9zA1 THR 499 HG23 0.04 0.01 -0.16 -0.04 1.22 1.07 2z9zA1 TRP 500 H 0.31 0.54 0.32 -0.55 7.97 8.59 2z9zA1 TRP 500 HA -0.02 0.27 1.10 -0.75 4.62 5.22 2z9zA1 TRP 500 HB2 0.03 -0.08 -0.04 -0.04 3.23 3.10 2z9zA1 TRP 500 HB3 0.02 0.04 -0.07 -0.04 3.23 3.19 2z9zA1 TRP 500 HD1 0.01 -0.02 -0.21 -0.04 7.22 6.97 2z9zA1 TRP 500 HE1 -0.08 -0.03 -0.09 -0.04 10.20 9.96 2z9zA1 TRP 500 HE3 -0.07 0.05 -0.15 -0.04 7.59 7.38 2z9zA1 TRP 500 HZ2 -0.57 0.03 -0.07 -0.04 7.44 6.79 2z9zA1 TRP 500 HZ3 -0.18 0.01 -0.20 -0.04 7.13 6.72 2z9zA1 TRP 500 HH2 -0.40 0.02 -0.08 -0.04 7.19 6.69 2z9zA1 ILE 501 H 0.13 0.64 0.36 -0.55 8.25 8.82 2z9zA1 ILE 501 HA 0.12 0.37 1.09 -0.75 4.18 5.01 2z9zA1 ILE 501 HB 0.05 -0.01 -0.16 -0.04 1.89 1.73 2z9zA1 ILE 501 HG12 0.06 -0.07 -0.38 -0.04 1.49 1.07 2z9zA1 ILE 501 HG13 0.02 0.13 -0.08 -0.04 1.21 1.24 2z9zA1 ILE 501 HG23 0.02 -0.00 -0.07 -0.04 0.93 0.84 2z9zA1 ILE 501 HD13 0.02 -0.01 -0.12 -0.04 0.88 0.73 2z9zA1 VAL 502 H 0.15 0.61 0.36 -0.55 8.24 8.82 2z9zA1 VAL 502 HA 0.23 0.36 1.11 -0.75 4.13 5.07 2z9zA1 VAL 502 HB 0.53 -0.09 0.16 -0.04 2.12 2.68 2z9zA1 VAL 502 HG13 0.54 0.02 -0.22 -0.04 0.97 1.26 2z9zA1 VAL 502 HG23 0.41 -0.00 -0.07 -0.04 0.95 1.25 2z9zA1 CYS 503 H 0.23 0.47 0.27 -0.55 8.50 8.92 2z9zA1 CYS 503 HA 0.13 0.28 1.11 -0.75 4.58 5.35 2z9zA1 CYS 503 HB2 0.32 -0.07 0.11 -0.04 2.97 3.29 2z9zA1 CYS 503 HB3 0.42 0.00 -0.04 -0.04 2.97 3.31 2z9zA1 ALA 504 H 0.19 0.78 0.32 -0.55 8.40 9.14 2z9zA1 ALA 504 HA 0.14 0.36 1.00 -0.75 4.34 5.09 2z9zA1 ALA 504 HB3 -0.07 -0.02 -0.03 -0.04 1.41 1.24 2z9zA1 PHE 505 H -0.22 0.57 0.27 -0.55 8.34 8.41 2z9zA1 PHE 505 HA 0.05 0.28 0.85 -0.75 4.62 5.05 2z9zA1 PHE 505 HB2 0.06 0.09 0.18 -0.04 3.15 3.44 2z9zA1 PHE 505 HB3 0.10 -0.01 -0.04 -0.04 3.06 3.06 2z9zA1 PHE 505 HD2 0.07 0.11 -0.21 -0.04 7.28 7.21 2z9zA1 PHE 505 HE2 0.04 -0.03 -0.07 -0.04 7.38 7.28 2z9zA1 PHE 505 HZ 0.08 -0.09 -0.12 -0.04 7.32 7.15 2z9zA1 SER 506 H 0.18 0.52 0.37 -0.55 8.46 8.98 2z9zA1 SER 506 HA 0.11 0.21 0.78 -0.75 4.49 4.84 2z9zA1 SER 506 HB2 0.13 -0.00 0.27 -0.04 3.95 4.31 2z9zA1 SER 506 HB3 0.11 0.10 0.18 -0.04 3.93 4.28 2z9zA1 VAL 507 H 0.04 0.59 0.44 -0.55 8.24 8.76 2z9zA1 VAL 507 HA 0.12 0.12 0.67 -0.75 4.13 4.29 2z9zA1 VAL 507 HB -0.03 0.00 0.14 -0.04 2.12 2.20 2z9zA1 VAL 507 HG13 -0.38 0.02 -0.08 -0.04 0.97 0.49 2z9zA1 VAL 507 HG23 -0.18 -0.03 -0.26 -0.04 0.95 0.44 2z9zA1 ASP 508 H 0.19 0.11 0.15 -0.55 8.40 8.30 2z9zA1 ASP 508 HA 0.12 0.21 0.81 -0.75 4.63 5.02 2z9zA1 ASP 508 HB2 0.14 -0.04 0.04 -0.04 2.71 2.82 2z9zA1 ASP 508 HB3 0.10 0.01 -0.05 -0.04 2.70 2.71 2z9zA1 HIS 509 H 0.15 0.40 0.07 -0.55 8.41 8.49 2z9zA1 HIS 509 HA 0.09 0.08 0.49 -0.75 4.63 4.55 2z9zA1 HIS 509 HB2 0.05 0.09 -0.29 -0.04 3.26 3.08 2z9zA1 HIS 509 HB3 0.03 -0.02 -0.02 -0.04 3.20 3.15 2z9zA1 HIS 509 HD2 0.11 0.03 -0.03 -0.04 6.97 7.03 2z9zA1 HIS 509 HE1 0.03 0.09 -0.02 -0.04 7.75 7.81 2z9zA1 ASP 510 H -0.27 0.18 0.07 -0.55 8.40 7.84 2z9zA1 ASP 510 HA 0.00 0.09 0.32 -0.75 4.63 4.29 2z9zA1 ASP 510 HB2 -0.12 -0.02 0.09 -0.04 2.71 2.61 2z9zA1 ASP 510 HB3 -0.02 0.06 0.01 -0.04 2.70 2.71 2z9zA1 SER 511 H 0.38 -0.03 -0.39 -0.55 8.46 7.87 2z9zA1 SER 511 HA 0.07 0.15 0.47 -0.75 4.49 4.43 2z9zA1 SER 511 HB2 0.23 -0.00 -0.04 -0.04 3.95 4.10 2z9zA1 SER 511 HB3 0.09 0.05 0.08 -0.04 3.93 4.11 2z9zA1 ALA 512 H 0.16 0.22 -0.37 -0.55 8.40 7.85 2z9zA1 ALA 512 HA -0.09 0.23 0.74 -0.75 4.34 4.47 2z9zA1 ALA 512 HB3 -0.09 -0.02 0.04 -0.04 1.41 1.30 2z9zA1 PRO 513 HA 0.04 0.03 0.54 -0.51 4.44 4.54 2z9zA1 PRO 513 HB2 0.02 0.08 0.07 -0.04 2.28 2.40 2z9zA1 PRO 513 HB3 0.02 0.00 0.09 -0.04 2.02 2.09 2z9zA1 PRO 513 HG2 -0.01 0.04 -0.11 -0.04 2.03 1.91 2z9zA1 PRO 513 HG3 0.00 0.01 0.01 -0.04 2.03 2.01 2z9zA1 PRO 513 HD2 -0.04 0.11 -0.02 -0.04 3.68 3.68 2z9zA1 PRO 513 HD3 0.01 0.24 -0.21 -0.04 3.65 3.65 2z9zA1 LEU 514 H 0.04 0.04 0.14 -0.55 8.37 8.05 2z9zA1 LEU 514 HA 0.07 0.06 0.52 -0.75 4.35 4.24 2z9zA1 LEU 514 HB2 0.04 -0.03 0.06 -0.04 1.64 1.68 2z9zA1 LEU 514 HB3 0.05 0.07 0.10 -0.04 1.64 1.82 2z9zA1 LEU 514 HG 0.05 -0.05 0.13 -0.04 1.64 1.72 2z9zA1 LEU 514 HD13 0.05 0.00 0.04 -0.04 0.93 0.97 2z9zA1 LEU 514 HD23 0.07 0.01 0.04 -0.04 0.89 0.97 2z9zA1 ASN 515 H 0.06 0.17 0.20 -0.55 8.53 8.41 2z9zA1 ASN 515 HA 0.02 0.22 0.83 -0.75 4.76 5.08 2z9zA1 ASN 515 HB2 0.02 -0.09 0.14 -0.04 2.88 2.91 2z9zA1 ASN 515 HB3 0.01 0.17 -0.10 -0.04 2.79 2.83 2z9zA1 ASN 515 HD21 0.15 -0.01 -0.07 -0.04 7.03 7.06 2z9zA1 ASN 515 HD22 0.04 0.14 -0.06 -0.04 7.74 7.81 2z9zA1 ASN 516 H 0.02 0.15 0.14 -0.55 8.53 8.30 2z9zA1 ASN 516 HA 0.03 0.19 0.40 -0.75 4.76 4.62 2z9zA1 ASN 516 HB2 0.01 -0.02 0.09 -0.04 2.88 2.93 2z9zA1 ASN 516 HB3 0.02 0.03 0.08 -0.04 2.79 2.89 2z9zA1 ASN 516 HD21 0.01 0.01 -0.00 -0.04 7.03 7.00 2z9zA1 ASN 516 HD22 0.01 0.00 0.01 -0.04 7.74 7.73 2z9zA1 ARG 517 H 0.03 -0.00 -0.15 -0.55 8.46 7.78 2z9zA1 ARG 517 HA 0.02 0.20 0.81 -0.75 4.34 4.61 2z9zA1 ARG 517 HB2 0.01 0.02 0.09 -0.04 1.90 1.98 2z9zA1 ARG 517 HB3 0.01 -0.03 0.03 -0.04 1.80 1.78 2z9zA1 ARG 517 HG2 0.04 -0.09 -0.01 -0.04 1.67 1.57 2z9zA1 ARG 517 HG3 0.04 0.04 -0.18 -0.04 1.67 1.52 2z9zA1 ARG 517 HD2 0.02 0.02 -0.04 -0.04 3.22 3.18 2z9zA1 ARG 517 HD3 0.02 -0.02 -0.01 -0.04 3.22 3.16 2z9zA1 CYS 518 H 0.04 0.08 -0.16 -0.55 8.50 7.92 2z9zA1 CYS 518 HA 0.02 0.32 0.94 -0.75 4.58 5.10 2z9zA1 CYS 518 HB2 0.08 -0.09 -0.09 -0.04 2.97 2.83 2z9zA1 CYS 518 HB3 0.05 0.02 -0.20 -0.04 2.97 2.80 2z9zA1 VAL 519 H 0.02 0.66 0.28 -0.55 8.24 8.65 2z9zA1 VAL 519 HA 0.06 0.10 0.88 -0.75 4.13 4.42 2z9zA1 VAL 519 HB 0.06 0.07 0.06 -0.04 2.12 2.26 2z9zA1 VAL 519 HG13 0.10 0.02 -0.21 -0.04 0.97 0.84 2z9zA1 VAL 519 HG23 0.07 -0.00 -0.06 -0.04 0.95 0.93 2z9zA1 ARG 520 H 0.07 0.12 0.13 -0.55 8.46 8.23 2z9zA1 ARG 520 HA 0.07 0.16 0.68 -0.75 4.34 4.50 2z9zA1 ARG 520 HB2 0.08 -0.06 0.08 -0.04 1.90 1.97 2z9zA1 ARG 520 HB3 0.07 -0.06 0.19 -0.04 1.80 1.96 2z9zA1 ARG 520 HG2 0.09 -0.07 -0.01 -0.04 1.67 1.63 2z9zA1 ARG 520 HG3 0.08 0.13 -0.16 -0.04 1.67 1.68 2z9zA1 ARG 520 HD2 0.11 -0.04 -0.04 -0.04 3.22 3.21 2z9zA1 ARG 520 HD3 0.09 0.22 -0.10 -0.04 3.22 3.39 2z9zA1 ALA 521 H 0.05 0.57 0.39 -0.55 8.40 8.86 2z9zA1 ALA 521 HA 0.06 0.17 0.57 -0.75 4.34 4.38 2z9zA1 ALA 521 HB3 0.02 -0.01 -0.01 -0.04 1.41 1.37 2z9zA1 LYS 522 H 0.05 0.60 0.30 -0.55 8.42 8.81 2z9zA1 LYS 522 HA 0.06 0.11 0.96 -0.75 4.32 4.70 2z9zA1 LYS 522 HB2 0.05 -0.02 0.18 -0.04 1.87 2.03 2z9zA1 LYS 522 HB3 0.06 0.01 0.05 -0.04 1.79 1.87 2z9zA1 LYS 522 HG2 0.07 -0.01 0.01 -0.04 1.46 1.50 2z9zA1 LYS 522 HG3 0.06 0.09 -0.40 -0.04 1.46 1.17 2z9zA1 LYS 522 HD2 0.05 -0.01 -0.01 -0.04 1.69 1.68 2z9zA1 LYS 522 HD3 0.06 -0.02 -0.01 -0.04 1.68 1.66 2z9zA1 LYS 522 HE2 0.06 0.05 -0.05 -0.04 2.99 3.01 2z9zA1 LYS 522 HE3 0.05 -0.03 -0.01 -0.04 2.99 2.96 2z9zA1 ILE 523 H 0.06 0.11 0.22 -0.55 8.25 8.10 2z9zA1 ILE 523 HA 0.04 0.35 1.24 -0.75 4.18 5.05 2z9zA1 ILE 523 HB -0.02 0.04 -0.07 -0.04 1.89 1.80 2z9zA1 ILE 523 HG12 -0.05 -0.02 -0.13 -0.04 1.49 1.25 2z9zA1 ILE 523 HG13 0.00 -0.11 -0.18 -0.04 1.21 0.88 2z9zA1 ILE 523 HG23 -0.03 -0.00 -0.31 -0.04 0.93 0.55 2z9zA1 ILE 523 HD13 -0.49 0.02 -0.26 -0.04 0.88 0.11 2z9zA1 ASN 524 H 0.05 0.60 0.28 -0.55 8.53 8.92 2z9zA1 ASN 524 HA 0.18 0.15 0.74 -0.75 4.76 5.08 2z9zA1 ASN 524 HB2 0.09 0.02 0.10 -0.04 2.88 3.04 2z9zA1 ASN 524 HB3 0.06 0.02 0.23 -0.04 2.79 3.06 2z9zA1 ASN 524 HD21 -0.11 -0.01 -0.05 -0.04 7.03 6.81 2z9zA1 ASN 524 HD22 -0.01 -0.01 0.00 -0.04 7.74 7.68 2z9zA1 VAL 525 H 0.12 0.74 0.37 -0.55 8.24 8.92 2z9zA1 VAL 525 HA -0.08 0.33 1.03 -0.75 4.13 4.66 2z9zA1 VAL 525 HB 0.02 -0.02 0.11 -0.04 2.12 2.18 2z9zA1 VAL 525 HG13 0.08 0.02 -0.12 -0.04 0.97 0.91 2z9zA1 VAL 525 HG23 0.02 -0.04 -0.11 -0.04 0.95 0.79 2z9zA1 ALA 526 H -0.29 0.60 0.45 -0.55 8.40 8.62 2z9zA1 ALA 526 HA -0.05 0.34 0.91 -0.75 4.34 4.78 2z9zA1 ALA 526 HB3 -0.65 -0.02 0.01 -0.04 1.41 0.71 2z9zA1 MET 527 H 0.03 0.51 0.35 -0.55 8.47 8.80 2z9zA1 MET 527 HA -0.03 0.28 0.93 -0.75 4.52 4.95 2z9zA1 MET 527 HB2 -0.64 0.00 0.06 -0.04 2.15 1.53 2z9zA1 MET 527 HB3 -0.38 -0.06 0.10 -0.04 2.03 1.65 2z9zA1 MET 527 HG2 -0.06 -0.01 -0.25 -0.04 2.63 2.27 2z9zA1 MET 527 HG3 -0.02 0.04 -0.04 -0.04 2.56 2.50 2z9zA1 MET 527 HE3 -0.60 0.00 -0.10 -0.04 2.10 1.36 2z9zA1 ILE 528 H 0.01 0.73 0.34 -0.55 8.25 8.78 2z9zA1 ILE 528 HA 0.06 0.21 1.02 -0.75 4.18 4.71 2z9zA1 ILE 528 HB 0.01 -0.01 0.14 -0.04 1.89 2.00 2z9zA1 ILE 528 HG12 -0.02 -0.02 -0.24 -0.04 1.49 1.16 2z9zA1 ILE 528 HG13 -0.05 -0.01 -0.28 -0.04 1.21 0.82 2z9zA1 ILE 528 HG23 0.03 -0.00 -0.17 -0.04 0.93 0.75 2z9zA1 ILE 528 HD13 0.01 0.00 -0.21 -0.04 0.88 0.65 2z9zA1 CYS 529 H 0.12 0.73 0.42 -0.55 8.50 9.22 2z9zA1 CYS 529 HA 0.06 0.44 1.27 -0.75 4.58 5.59 2z9zA1 CYS 529 HB2 0.16 -0.09 0.12 -0.04 2.97 3.12 2z9zA1 CYS 529 HB3 0.08 -0.06 -0.02 -0.04 2.97 2.92 2z9zA1 GLN 530 H 0.06 0.65 0.43 -0.55 8.47 9.07 2z9zA1 GLN 530 HA 0.12 0.23 0.98 -0.75 4.36 4.93 2z9zA1 GLN 530 HB2 0.04 -0.02 0.13 -0.04 2.15 2.26 2z9zA1 GLN 530 HB3 0.05 0.02 0.07 -0.04 2.02 2.13 2z9zA1 GLN 530 HG2 0.05 0.19 -0.06 -0.04 2.40 2.54 2z9zA1 GLN 530 HG3 0.05 -0.08 -0.42 -0.04 2.39 1.90 2z9zA1 GLN 530 HE21 0.00 0.00 -0.07 -0.04 6.97 6.86 2z9zA1 GLN 530 HE22 0.01 -0.01 -0.14 -0.04 7.69 7.51 2z9zA1 THR 531 H 0.12 0.25 0.27 -0.55 8.28 8.37 2z9zA1 THR 531 HA 0.06 0.27 1.04 -0.75 4.39 5.00 2z9zA1 THR 531 HB 0.19 0.02 0.17 -0.04 4.32 4.67 2z9zA1 THR 531 HG23 0.13 0.06 -0.12 -0.04 1.22 1.25 2z9zA1 LEU 532 H 0.05 0.84 0.47 -0.55 8.37 9.19 2z9zA1 LEU 532 HA 0.05 0.13 0.90 -0.75 4.35 4.68 2z9zA1 LEU 532 HB2 0.03 -0.02 0.19 -0.04 1.64 1.79 2z9zA1 LEU 532 HB3 0.03 0.04 0.04 -0.04 1.64 1.71 2z9zA1 LEU 532 HG 0.03 -0.01 -0.01 -0.04 1.64 1.60 2z9zA1 LEU 532 HD13 0.01 -0.00 -0.01 -0.04 0.93 0.89 2z9zA1 LEU 532 HD23 0.03 0.02 -0.06 -0.04 0.89 0.84 2z9zA1 VAL 533 H 0.05 0.26 0.17 -0.55 8.24 8.17 2z9zA1 VAL 533 HA 0.08 0.33 0.97 -0.75 4.13 4.77 2z9zA1 VAL 533 HB 0.18 -0.07 -0.13 -0.04 2.12 2.06 2z9zA1 VAL 533 HG13 -0.02 0.00 0.03 -0.04 0.97 0.95 2z9zA1 VAL 533 HG23 0.09 -0.00 -0.11 -0.04 0.95 0.88 2z9zA1 SER 534 H 0.04 0.67 0.17 -0.55 8.46 8.80 2z9zA1 SER 534 HA 0.01 0.19 0.95 -0.75 4.49 4.89 2z9zA1 SER 534 HB2 0.01 0.02 0.06 -0.04 3.95 4.00 2z9zA1 SER 534 HB3 0.02 -0.05 -0.09 -0.04 3.93 3.76 2z9zA1 PRO 535 HA 0.01 -0.02 0.30 -0.51 4.44 4.23 2z9zA1 PRO 535 HB2 -0.00 0.06 0.03 -0.04 2.28 2.33 2z9zA1 PRO 535 HB3 -0.01 -0.00 0.08 -0.04 2.02 2.05 2z9zA1 PRO 535 HG2 -0.01 0.02 0.06 -0.04 2.03 2.06 2z9zA1 PRO 535 HG3 -0.02 -0.01 0.02 -0.04 2.03 1.98 2z9zA1 PRO 535 HD2 0.00 0.09 0.16 -0.04 3.68 3.88 2z9zA1 PRO 535 HD3 0.00 0.28 -0.04 -0.04 3.65 3.85 2z9zA1 PRO 536 HA 0.01 0.14 0.50 -0.51 4.44 4.57 2z9zA1 PRO 536 HB2 0.01 0.07 0.03 -0.04 2.28 2.34 2z9zA1 PRO 536 HB3 0.01 -0.03 0.06 -0.04 2.02 2.02 2z9zA1 PRO 536 HG2 0.01 0.23 -0.26 -0.04 2.03 1.97 2z9zA1 PRO 536 HG3 0.02 0.05 -0.35 -0.04 2.03 1.70 2z9zA1 PRO 536 HD2 0.01 0.08 0.08 -0.04 3.68 3.81 2z9zA1 PRO 536 HD3 0.02 0.00 0.15 -0.04 3.65 3.78 2z9zA1 GLU 537 H 0.00 0.13 0.16 -0.55 8.60 8.34 2z9zA1 GLU 537 HA 0.00 0.18 0.81 -0.75 4.29 4.52 2z9zA1 GLU 537 HB2 0.00 -0.02 0.02 -0.04 2.09 2.04 2z9zA1 GLU 537 HB3 0.00 0.01 0.09 -0.04 1.99 2.05 2z9zA1 GLU 537 HG2 0.00 0.01 0.01 -0.04 2.34 2.31 2z9zA1 GLU 537 HG3 0.00 0.08 -0.12 -0.04 2.34 2.26 2z9zA1 GLY 538 H 0.00 0.23 0.13 -0.55 8.43 8.24 2z9zA1 GLY 538 HA2 0.00 0.00 0.29 -0.51 4.01 3.79 2z9zA1 GLY 538 HA3 0.00 0.11 0.95 -0.51 4.01 4.57 2z9zA1 ASN 539 H 0.00 0.06 0.18 -0.55 8.53 8.22 2z9zA1 ASN 539 HA 0.00 0.18 0.65 -0.75 4.76 4.84 2z9zA1 ASN 539 HB2 0.00 0.09 -0.30 -0.04 2.88 2.64 2z9zA1 ASN 539 HB3 0.00 -0.04 -0.07 -0.04 2.79 2.64 2z9zA1 ASN 539 HD21 0.00 -0.01 0.01 -0.04 7.03 7.00 2z9zA1 ASN 539 HD22 0.00 -0.02 -0.08 -0.04 7.74 7.60 2z9zA1 GLN 540 H 0.00 0.06 0.09 -0.55 8.47 8.07 2z9zA1 GLN 540 HA 0.01 0.06 0.35 -0.75 4.36 4.02 2z9zA1 GLN 540 HB2 0.00 -0.32 0.28 -0.04 2.15 2.08 2z9zA1 GLN 540 HB3 0.00 0.14 -0.09 -0.04 2.02 2.04 2z9zA1 GLN 540 HG2 0.00 0.28 0.13 -0.04 2.40 2.78 2z9zA1 GLN 540 HG3 0.01 0.08 -0.15 -0.04 2.39 2.29 2z9zA1 GLN 540 HE21 0.00 -0.02 0.02 -0.04 6.97 6.94 2z9zA1 GLN 540 HE22 0.01 0.16 -0.05 -0.04 7.69 7.76 2z9zA1 GLU 541 H 0.01 0.05 0.11 -0.55 8.60 8.22 2z9zA1 GLU 541 HA 0.02 0.09 0.31 -0.75 4.29 3.96 2z9zA1 GLU 541 HB2 0.02 0.04 -0.04 -0.04 2.09 2.07 2z9zA1 GLU 541 HB3 0.03 0.04 0.08 -0.04 1.99 2.09 2z9zA1 GLU 541 HG2 0.01 -0.14 0.11 -0.04 2.34 2.28 2z9zA1 GLU 541 HG3 0.01 0.03 0.04 -0.04 2.34 2.39 2z9zA1 ILE 542 H 0.04 0.09 0.14 -0.55 8.25 7.96 2z9zA1 ILE 542 HA 0.04 0.08 0.60 -0.75 4.18 4.14 2z9zA1 ILE 542 HB 0.09 0.05 0.06 -0.04 1.89 2.04 2z9zA1 ILE 542 HG12 0.10 -0.04 0.07 -0.04 1.49 1.57 2z9zA1 ILE 542 HG13 0.17 -0.00 -0.21 -0.04 1.21 1.13 2z9zA1 ILE 542 HG23 0.03 0.01 0.07 -0.04 0.93 0.99 2z9zA1 ILE 542 HD13 0.21 0.01 -0.07 -0.04 0.88 0.98 2z9zA1 SER 543 H 0.03 0.12 0.20 -0.55 8.46 8.26 2z9zA1 SER 543 HA 0.01 0.26 0.79 -0.75 4.49 4.79 2z9zA1 SER 543 HB2 -0.01 -0.04 0.18 -0.04 3.95 4.04 2z9zA1 SER 543 HB3 0.00 0.14 -0.01 -0.04 3.93 4.03 2z9zA1 ARG 544 H -0.03 0.24 0.13 -0.55 8.46 8.25 2z9zA1 ARG 544 HA -0.05 0.09 0.42 -0.75 4.34 4.05 2z9zA1 ARG 544 HB2 -0.05 -0.04 0.13 -0.04 1.90 1.90 2z9zA1 ARG 544 HB3 -0.07 0.08 0.15 -0.04 1.80 1.91 2z9zA1 ARG 544 HG2 -0.11 0.01 -0.02 -0.04 1.67 1.51 2z9zA1 ARG 544 HG3 -0.07 -0.08 0.01 -0.04 1.67 1.49 2z9zA1 ARG 544 HD2 -0.07 -0.19 0.05 -0.04 3.22 2.97 2z9zA1 ARG 544 HD3 -0.10 0.18 0.03 -0.04 3.22 3.29 2z9zA1 ASP 545 H -0.01 0.01 -0.36 -0.55 8.40 7.49 2z9zA1 ASP 545 HA -0.02 0.16 0.64 -0.75 4.63 4.66 2z9zA1 ASP 545 HB2 -0.00 -0.04 0.03 -0.04 2.71 2.65 2z9zA1 ASP 545 HB3 -0.01 0.05 0.05 -0.04 2.70 2.76 2z9zA1 ASN 546 H 0.01 0.44 -0.30 -0.55 8.53 8.14 2z9zA1 ASN 546 HA 0.02 0.21 0.63 -0.75 4.76 4.86 2z9zA1 ASN 546 HB2 0.05 0.04 0.09 -0.04 2.88 3.02 2z9zA1 ASN 546 HB3 0.04 0.08 0.08 -0.04 2.79 2.95 2z9zA1 ASN 546 HD21 0.01 -0.07 -0.06 -0.04 7.03 6.87 2z9zA1 ASN 546 HD22 0.01 0.14 -0.03 -0.04 7.74 7.82 2z9zA1 ILE 547 H 0.00 0.27 -0.41 -0.55 8.25 7.56 2z9zA1 ILE 547 HA 0.05 0.39 1.17 -0.75 4.18 5.03 2z9zA1 ILE 547 HB 0.02 0.02 -0.06 -0.04 1.89 1.83 2z9zA1 ILE 547 HG12 -0.04 -0.01 0.02 -0.04 1.49 1.41 2z9zA1 ILE 547 HG13 -0.06 -0.12 -0.16 -0.04 1.21 0.82 2z9zA1 ILE 547 HG23 0.12 -0.01 -0.26 -0.04 0.93 0.74 2z9zA1 ILE 547 HD13 -0.18 0.02 -0.47 -0.04 0.88 0.21 2z9zA1 LEU 548 H 0.03 0.60 0.36 -0.55 8.37 8.82 2z9zA1 LEU 548 HA -0.03 0.10 0.85 -0.75 4.35 4.51 2z9zA1 LEU 548 HB2 -0.01 0.06 -0.17 -0.04 1.64 1.48 2z9zA1 LEU 548 HB3 0.01 -0.03 0.05 -0.04 1.64 1.63 2z9zA1 LEU 548 HG -0.01 0.00 -0.34 -0.04 1.64 1.25 2z9zA1 LEU 548 HD13 -0.03 0.01 -0.33 -0.04 0.93 0.54 2z9zA1 LEU 548 HD23 0.00 0.00 -0.10 -0.04 0.89 0.75 2z9zA1 CYS 549 H -0.05 0.60 0.26 -0.55 8.50 8.76 2z9zA1 CYS 549 HA 0.01 0.20 1.02 -0.75 4.58 5.06 2z9zA1 CYS 549 HB2 -0.05 0.15 -0.25 -0.04 2.97 2.78 2z9zA1 CYS 549 HB3 -0.08 -0.01 0.07 -0.04 2.97 2.92 2z9zA1 LYS 550 H 0.02 0.62 0.42 -0.55 8.42 8.93 2z9zA1 LYS 550 HA 0.01 0.16 0.96 -0.75 4.32 4.70 2z9zA1 LYS 550 HB2 0.03 -0.07 0.23 -0.04 1.87 2.02 2z9zA1 LYS 550 HB3 0.02 0.07 0.09 -0.04 1.79 1.93 2z9zA1 LYS 550 HG2 0.02 -0.04 -0.01 -0.04 1.46 1.39 2z9zA1 LYS 550 HG3 0.02 0.00 0.02 -0.04 1.46 1.46 2z9zA1 LYS 550 HD2 0.02 0.08 0.09 -0.04 1.69 1.84 2z9zA1 LYS 550 HD3 0.01 -0.04 -0.05 -0.04 1.68 1.57 2z9zA1 LYS 550 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.94 2z9zA1 LYS 550 HE3 0.01 0.03 0.01 -0.04 2.99 3.01 2z9zA1 ILE 551 H 0.03 0.70 0.39 -0.55 8.25 8.83 2z9zA1 ILE 551 HA 0.03 0.28 1.05 -0.75 4.18 4.79 2z9zA1 ILE 551 HB 0.06 -0.07 0.03 -0.04 1.89 1.87 2z9zA1 ILE 551 HG12 0.00 0.00 -0.26 -0.04 1.49 1.20 2z9zA1 ILE 551 HG13 -0.04 0.03 -0.39 -0.04 1.21 0.77 2z9zA1 ILE 551 HG23 0.04 -0.01 -0.26 -0.04 0.93 0.66 2z9zA1 ILE 551 HD13 -0.08 -0.01 -0.17 -0.04 0.88 0.58 2z9zA1 THR 552 H 0.04 0.74 0.41 -0.55 8.28 8.91 2z9zA1 THR 552 HA 0.06 0.30 0.91 -0.75 4.39 4.91 2z9zA1 THR 552 HB 0.01 -0.07 0.13 -0.04 4.32 4.35 2z9zA1 THR 552 HG23 -0.03 0.04 -0.11 -0.04 1.22 1.09 2z9zA1 TYR 553 H 0.15 0.69 0.35 -0.55 8.29 8.94 2z9zA1 TYR 553 HA -0.03 0.29 1.14 -0.75 4.56 5.21 2z9zA1 TYR 553 HB2 -0.00 -0.05 -0.03 -0.04 3.06 2.94 2z9zA1 TYR 553 HB3 0.06 -0.05 0.13 -0.04 2.98 3.08 2z9zA1 TYR 553 HD2 0.01 -0.06 -0.11 -0.04 7.15 6.96 2z9zA1 TYR 553 HE2 0.26 -0.03 -0.15 -0.04 6.85 6.88 2z9zA1 VAL 554 H -0.43 0.62 0.43 -0.55 8.24 8.31 2z9zA1 VAL 554 HA -0.13 0.30 1.13 -0.75 4.13 4.67 2z9zA1 VAL 554 HB 0.02 0.03 0.08 -0.04 2.12 2.21 2z9zA1 VAL 554 HG13 -0.01 0.01 -0.01 -0.04 0.97 0.92 2z9zA1 VAL 554 HG23 -0.01 -0.03 0.04 -0.04 0.95 0.90 2z9zA1 ALA 555 H -0.13 0.61 0.34 -0.55 8.40 8.67 2z9zA1 ALA 555 HA -0.10 0.15 0.88 -0.75 4.34 4.52 2z9zA1 ALA 555 HB3 -0.07 -0.01 0.02 -0.04 1.41 1.31 2z9zA1 ASN 556 H 0.02 0.69 0.25 -0.55 8.53 8.95 2z9zA1 ASN 556 HA 0.01 0.20 0.82 -0.75 4.76 5.03 2z9zA1 ASN 556 HB2 0.04 0.03 0.26 -0.04 2.88 3.17 2z9zA1 ASN 556 HB3 0.01 -0.00 0.07 -0.04 2.79 2.83 2z9zA1 ASN 556 HD21 0.11 0.00 -0.07 -0.04 7.03 7.03 2z9zA1 ASN 556 HD22 0.07 0.00 -0.21 -0.04 7.74 7.56 2z9zA1 VAL 557 H 0.02 0.38 0.05 -0.55 8.24 8.14 2z9zA1 VAL 557 HA 0.04 0.24 1.06 -0.75 4.13 4.71 2z9zA1 VAL 557 HB 0.09 0.03 -0.01 -0.04 2.12 2.19 2z9zA1 VAL 557 HG13 0.05 -0.01 -0.27 -0.04 0.97 0.69 2z9zA1 VAL 557 HG23 0.10 -0.04 -0.26 -0.04 0.95 0.72 2z9zA1 ASN 558 H 0.03 0.75 0.33 -0.55 8.53 9.09 2z9zA1 ASN 558 HA 0.00 0.29 0.86 -0.75 4.76 5.16 2z9zA1 ASN 558 HB2 0.02 0.03 0.08 -0.04 2.88 2.96 2z9zA1 ASN 558 HB3 0.03 -0.07 0.26 -0.04 2.79 2.97 2z9zA1 ASN 558 HD21 0.02 0.00 -0.02 -0.04 7.03 6.99 2z9zA1 ASN 558 HD22 0.02 0.00 -0.01 -0.04 7.74 7.71 2z9zA1 PRO 559 HA 0.12 0.01 0.20 -0.51 4.44 4.26 2z9zA1 PRO 559 HB2 0.19 0.07 -0.05 -0.04 2.28 2.45 2z9zA1 PRO 559 HB3 0.07 -0.03 0.02 -0.04 2.02 2.04 2z9zA1 PRO 559 HG2 -0.04 0.12 -0.07 -0.04 2.03 2.00 2z9zA1 PRO 559 HG3 -0.16 -0.02 0.02 -0.04 2.03 1.83 2z9zA1 PRO 559 HD2 -0.03 0.07 0.17 -0.04 3.68 3.86 2z9zA1 PRO 559 HD3 -0.03 0.27 0.11 -0.04 3.65 3.95 2z9zA1 GLY 560 H 0.05 -0.05 -0.59 -0.55 8.43 7.30 2z9zA1 GLY 560 HA2 0.07 -0.02 0.26 -0.51 4.01 3.81 2z9zA1 GLY 560 HA3 0.09 0.16 0.39 -0.51 4.01 4.14 2z9zA1 GLY 561 H 0.10 0.05 0.10 -0.55 8.43 8.14 2z9zA1 GLY 561 HA2 0.14 -0.01 0.32 -0.51 4.01 3.95 2z9zA1 GLY 561 HA3 0.17 0.05 0.32 -0.51 4.01 4.03 2z9zA1 TRP 562 H 0.30 0.22 0.21 -0.55 7.97 8.15 2z9zA1 TRP 562 HA 0.02 0.15 0.78 -0.75 4.62 4.81 2z9zA1 TRP 562 HB2 0.03 0.01 -0.17 -0.04 3.23 3.06 2z9zA1 TRP 562 HB3 0.04 -0.03 0.01 -0.04 3.23 3.21 2z9zA1 TRP 562 HD1 -0.00 0.05 0.02 -0.04 7.22 7.24 2z9zA1 TRP 562 HE1 -0.01 0.01 0.02 -0.04 10.20 10.17 2z9zA1 TRP 562 HE3 0.03 0.03 -0.38 -0.04 7.59 7.23 2z9zA1 TRP 562 HZ2 -0.02 -0.02 -0.02 -0.04 7.44 7.33 2z9zA1 TRP 562 HZ3 0.01 0.01 -0.06 -0.04 7.13 7.04 2z9zA1 TRP 562 HH2 -0.01 -0.04 -0.04 -0.04 7.19 7.06 2z9zA1 ALA 563 H -1.16 0.29 0.18 -0.55 8.40 7.17 2z9zA1 ALA 563 HA -0.32 0.12 0.44 -0.75 4.34 3.82 2z9zA1 ALA 563 HB3 -0.51 0.04 -0.02 -0.04 1.41 0.87 2z9zA1 PRO 564 HA -0.52 0.07 0.58 -0.51 4.44 4.06 2z9zA1 PRO 564 HB2 -0.19 -0.24 0.13 -0.04 2.28 1.94 2z9zA1 PRO 564 HB3 -0.07 0.06 0.15 -0.04 2.02 2.12 2z9zA1 PRO 564 HG2 -0.02 0.08 0.12 -0.04 2.03 2.18 2z9zA1 PRO 564 HG3 0.13 0.10 0.11 -0.04 2.03 2.32 2z9zA1 PRO 564 HD2 -0.24 0.14 0.22 -0.04 3.68 3.75 2z9zA1 PRO 564 HD3 -0.01 0.20 0.16 -0.04 3.65 3.96 2z9zA1 ALA 565 H -0.28 0.20 0.26 -0.55 8.40 8.03 2z9zA1 ALA 565 HA -0.28 0.12 0.50 -0.75 4.34 3.93 2z9zA1 ALA 565 HB3 -0.13 0.03 0.14 -0.04 1.41 1.40 2z9zA1 SER 566 H -0.13 0.08 -0.16 -0.55 8.46 7.71 2z9zA1 SER 566 HA -0.09 0.11 0.30 -0.75 4.49 4.06 2z9zA1 SER 566 HB2 -0.05 0.08 0.03 -0.04 3.95 3.98 2z9zA1 SER 566 HB3 -0.05 0.01 0.08 -0.04 3.93 3.93 2z9zA1 VAL 567 H -0.17 0.11 -0.21 -0.55 8.24 7.41 2z9zA1 VAL 567 HA -0.08 0.11 0.54 -0.75 4.13 3.94 2z9zA1 VAL 567 HB -0.08 0.05 0.08 -0.04 2.12 2.13 2z9zA1 VAL 567 HG13 -0.05 -0.01 0.05 -0.04 0.97 0.93 2z9zA1 VAL 567 HG23 -0.39 0.06 0.02 -0.04 0.95 0.60 2z9zA1 LEU 568 H -0.36 0.47 -0.14 -0.55 8.37 7.81 2z9zA1 LEU 568 HA -0.49 0.03 0.32 -0.75 4.35 3.46 2z9zA1 LEU 568 HB2 -0.35 0.09 0.13 -0.04 1.64 1.46 2z9zA1 LEU 568 HB3 -0.35 0.01 -0.02 -0.04 1.64 1.25 2z9zA1 LEU 568 HG -0.79 0.00 -0.09 -0.04 1.64 0.72 2z9zA1 LEU 568 HD13 -0.47 -0.00 -0.09 -0.04 0.93 0.33 2z9zA1 LEU 568 HD23 -1.30 0.01 -0.05 -0.04 0.89 -0.50 2z9zA1 ARG 569 H -0.16 0.48 -0.16 -0.55 8.46 8.07 2z9zA1 ARG 569 HA -0.05 0.07 0.58 -0.75 4.34 4.19 2z9zA1 ARG 569 HB2 -0.08 0.03 0.09 -0.04 1.90 1.90 2z9zA1 ARG 569 HB3 -0.05 -0.01 0.01 -0.04 1.80 1.72 2z9zA1 ARG 569 HG2 -0.08 -0.00 0.02 -0.04 1.67 1.56 2z9zA1 ARG 569 HG3 -0.12 0.13 0.07 -0.04 1.67 1.71 2z9zA1 ARG 569 HD2 -0.08 -0.05 -0.08 -0.04 3.22 2.96 2z9zA1 ARG 569 HD3 -0.06 0.02 -0.03 -0.04 3.22 3.11 2z9zA1 ALA 570 H -0.07 0.39 -0.22 -0.55 8.40 7.95 2z9zA1 ALA 570 HA -0.00 0.04 0.55 -0.75 4.34 4.18 2z9zA1 ALA 570 HB3 -0.01 0.02 0.15 -0.04 1.41 1.53 2z9zA1 VAL 571 H -0.03 0.62 -0.05 -0.55 8.24 8.23 2z9zA1 VAL 571 HA 0.06 0.04 0.37 -0.75 4.13 3.86 2z9zA1 VAL 571 HB 0.01 0.05 0.11 -0.04 2.12 2.25 2z9zA1 VAL 571 HG13 0.20 -0.02 -0.12 -0.04 0.97 0.99 2z9zA1 VAL 571 HG23 0.18 0.06 -0.02 -0.04 0.95 1.14 2z9zA1 ALA 572 H 0.03 0.52 -0.17 -0.55 8.40 8.24 2z9zA1 ALA 572 HA 0.23 -0.04 0.34 -0.75 4.34 4.12 2z9zA1 ALA 572 HB3 0.16 0.04 0.09 -0.04 1.41 1.66 2z9zA1 LYS 573 H 0.07 0.52 -0.21 -0.55 8.42 8.25 2z9zA1 LYS 573 HA 0.11 -0.02 0.30 -0.75 4.32 3.96 2z9zA1 LYS 573 HB2 0.04 0.09 0.14 -0.04 1.87 2.10 2z9zA1 LYS 573 HB3 0.04 0.06 0.09 -0.04 1.79 1.93 2z9zA1 LYS 573 HG2 0.03 -0.02 0.00 -0.04 1.46 1.44 2z9zA1 LYS 573 HG3 0.04 -0.06 -0.02 -0.04 1.46 1.37 2z9zA1 LYS 573 HD2 0.01 -0.02 0.02 -0.04 1.69 1.66 2z9zA1 LYS 573 HD3 0.01 -0.03 0.01 -0.04 1.68 1.63 2z9zA1 LYS 573 HE2 0.01 -0.04 0.01 -0.04 2.99 2.93 2z9zA1 LYS 573 HE3 0.00 0.26 0.11 -0.04 2.99 3.33 2z9zA1 ARG 574 H 0.07 0.36 -0.44 -0.55 8.46 7.90 2z9zA1 ARG 574 HA 0.05 0.04 0.56 -0.75 4.34 4.24 2z9zA1 ARG 574 HB2 0.04 -0.01 0.08 -0.04 1.90 1.97 2z9zA1 ARG 574 HB3 0.05 0.12 0.21 -0.04 1.80 2.14 2z9zA1 ARG 574 HG2 0.04 -0.03 -0.23 -0.04 1.67 1.41 2z9zA1 ARG 574 HG3 0.04 -0.05 0.00 -0.04 1.67 1.62 2z9zA1 ARG 574 HD2 0.04 -0.03 -0.03 -0.04 3.22 3.16 2z9zA1 ARG 574 HD3 0.04 -0.03 -0.01 -0.04 3.22 3.17 2z9zA1 GLU 575 H 0.05 0.72 0.14 -0.55 8.60 8.96 2z9zA1 GLU 575 HA 0.03 0.01 0.20 -0.75 4.29 3.78 2z9zA1 GLU 575 HB2 -0.12 0.10 0.08 -0.04 2.09 2.11 2z9zA1 GLU 575 HB3 -0.14 -0.08 -0.01 -0.04 1.99 1.72 2z9zA1 GLU 575 HG2 0.03 0.10 0.07 -0.04 2.34 2.50 2z9zA1 GLU 575 HG3 -0.01 -0.03 -0.01 -0.04 2.34 2.25 2z9zA1 TYR 576 H 0.18 0.54 -0.03 -0.55 8.29 8.44 2z9zA1 TYR 576 HA 0.29 0.01 0.41 -0.75 4.56 4.51 2z9zA1 TYR 576 HB2 0.14 0.18 0.07 -0.04 3.06 3.41 2z9zA1 TYR 576 HB3 0.21 -0.06 -0.07 -0.04 2.98 3.02 2z9zA1 TYR 576 HD2 0.25 0.11 0.01 -0.04 7.15 7.48 2z9zA1 TYR 576 HE2 0.18 -0.01 -0.05 -0.04 6.85 6.92 2z9zA1 PRO 577 HA 0.02 0.00 0.48 -0.51 4.44 4.44 2z9zA1 PRO 577 HB2 0.04 0.09 -0.03 -0.04 2.28 2.33 2z9zA1 PRO 577 HB3 0.00 -0.04 0.01 -0.04 2.02 1.95 2z9zA1 PRO 577 HG2 0.06 0.27 0.08 -0.04 2.03 2.40 2z9zA1 PRO 577 HG3 0.07 -0.07 -0.00 -0.04 2.03 1.99 2z9zA1 PRO 577 HD2 0.13 0.28 -0.36 -0.04 3.68 3.69 2z9zA1 PRO 577 HD3 0.24 0.08 0.01 -0.04 3.65 3.94 2z9zA1 LYS 578 H 0.09 0.42 -0.36 -0.55 8.42 8.01 2z9zA1 LYS 578 HA 0.05 0.01 0.38 -0.75 4.32 4.01 2z9zA1 LYS 578 HB2 0.06 0.13 0.10 -0.04 1.87 2.13 2z9zA1 LYS 578 HB3 0.10 0.11 0.14 -0.04 1.79 2.09 2z9zA1 LYS 578 HG2 0.10 -0.02 -0.22 -0.04 1.46 1.28 2z9zA1 LYS 578 HG3 0.06 -0.04 0.00 -0.04 1.46 1.44 2z9zA1 LYS 578 HD2 0.05 0.00 -0.05 -0.04 1.69 1.66 2z9zA1 LYS 578 HD3 0.06 -0.01 -0.04 -0.04 1.68 1.65 2z9zA1 LYS 578 HE2 0.06 -0.03 -0.06 -0.04 2.99 2.92 2z9zA1 LYS 578 HE3 0.05 -0.00 -0.05 -0.04 2.99 2.95 2z9zA1 PHE 579 H 0.23 0.57 -0.06 -0.55 8.34 8.53 2z9zA1 PHE 579 HA 0.16 0.04 0.46 -0.75 4.62 4.52 2z9zA1 PHE 579 HB2 0.11 -0.09 0.10 -0.04 3.15 3.23 2z9zA1 PHE 579 HB3 0.03 0.21 0.23 -0.04 3.06 3.49 2z9zA1 PHE 579 HD2 0.19 0.03 -0.01 -0.04 7.28 7.44 2z9zA1 PHE 579 HE2 -0.96 -0.00 -0.12 -0.04 7.38 6.26 2z9zA1 PHE 579 HZ -0.34 -0.01 -0.12 -0.04 7.32 6.80 2z9zA1 LEU 580 H -0.22 0.57 -0.17 -0.55 8.37 8.01 2z9zA1 LEU 580 HA -0.94 -0.01 0.21 -0.75 4.35 2.85 2z9zA1 LEU 580 HB2 -0.16 0.07 0.08 -0.04 1.64 1.59 2z9zA1 LEU 580 HB3 -0.14 -0.06 -0.07 -0.04 1.64 1.33 2z9zA1 LEU 580 HG -0.53 0.07 -0.02 -0.04 1.64 1.12 2z9zA1 LEU 580 HD13 0.01 -0.01 -0.17 -0.04 0.93 0.72 2z9zA1 LEU 580 HD23 -0.48 -0.02 -0.10 -0.04 0.89 0.25 2z9zA1 LYS 581 H -0.06 0.66 -0.12 -0.55 8.42 8.35 2z9zA1 LYS 581 HA 0.04 -0.02 0.53 -0.75 4.32 4.12 2z9zA1 LYS 581 HB2 0.01 0.20 0.18 -0.04 1.87 2.22 2z9zA1 LYS 581 HB3 0.02 -0.04 -0.02 -0.04 1.79 1.71 2z9zA1 LYS 581 HG2 0.01 -0.08 0.05 -0.04 1.46 1.39 2z9zA1 LYS 581 HG3 -0.03 0.03 0.06 -0.04 1.46 1.47 2z9zA1 LYS 581 HD2 -0.02 -0.06 -0.02 -0.04 1.69 1.55 2z9zA1 LYS 581 HD3 0.00 0.05 -0.07 -0.04 1.68 1.62 2z9zA1 LYS 581 HE2 0.02 0.05 -0.02 -0.04 2.99 2.99 2z9zA1 LYS 581 HE3 0.01 -0.05 -0.01 -0.04 2.99 2.89 2z9zA1 ARG 582 H 0.04 0.51 -0.19 -0.55 8.46 8.27 2z9zA1 ARG 582 HA 0.07 0.00 0.37 -0.75 4.34 4.03 2z9zA1 ARG 582 HB2 0.11 -0.03 0.11 -0.04 1.90 2.05 2z9zA1 ARG 582 HB3 0.20 0.10 0.20 -0.04 1.80 2.25 2z9zA1 ARG 582 HG2 0.29 0.08 -0.12 -0.04 1.67 1.88 2z9zA1 ARG 582 HG3 0.16 -0.10 0.03 -0.04 1.67 1.72 2z9zA1 ARG 582 HD2 0.10 -0.09 0.00 -0.04 3.22 3.19 2z9zA1 ARG 582 HD3 0.15 -0.01 -0.00 -0.04 3.22 3.32 2z9zA1 PHE 583 H 0.10 0.70 -0.01 -0.55 8.34 8.58 2z9zA1 PHE 583 HA -0.05 0.06 0.44 -0.75 4.62 4.31 2z9zA1 PHE 583 HB2 -0.14 0.02 0.02 -0.04 3.15 3.01 2z9zA1 PHE 583 HB3 -0.48 0.04 0.06 -0.04 3.06 2.65 2z9zA1 PHE 583 HD2 -1.17 0.01 -0.13 -0.04 7.28 5.95 2z9zA1 PHE 583 HE2 -0.36 0.01 -0.31 -0.04 7.38 6.68 2z9zA1 PHE 583 HZ 0.05 0.23 -0.04 -0.04 7.32 7.51 2z9zA1 THR 584 H -0.11 0.56 -0.18 -0.55 8.28 8.00 2z9zA1 THR 584 HA -0.49 -0.01 0.23 -0.75 4.39 3.36 2z9zA1 THR 584 HB -0.30 -0.09 -0.01 -0.04 4.32 3.88 2z9zA1 THR 584 HG23 -0.16 -0.00 -0.03 -0.04 1.22 0.99 2z9zA1 SER 585 H -0.09 0.53 -0.18 -0.55 8.46 8.18 2z9zA1 SER 585 HA -0.12 -0.01 0.44 -0.75 4.49 4.04 2z9zA1 SER 585 HB2 -0.04 -0.07 0.08 -0.04 3.95 3.88 2z9zA1 SER 585 HB3 -0.03 0.01 0.13 -0.04 3.93 4.00 2z9zA1 TYR 586 H -0.01 0.45 -0.34 -0.55 8.29 7.84 2z9zA1 TYR 586 HA -0.11 -0.00 0.51 -0.75 4.56 4.20 2z9zA1 TYR 586 HB2 0.03 0.09 0.11 -0.04 3.06 3.25 2z9zA1 TYR 586 HB3 -0.22 0.16 0.20 -0.04 2.98 3.08 2z9zA1 TYR 586 HD2 -0.17 0.03 -0.10 -0.04 7.15 6.86 2z9zA1 TYR 586 HE2 0.29 -0.02 -0.08 -0.04 6.85 7.00 2z9zA1 VAL 587 H -0.49 0.57 -0.08 -0.55 8.24 7.69 2z9zA1 VAL 587 HA -1.01 0.02 0.44 -0.75 4.13 2.83 2z9zA1 VAL 587 HB -0.50 0.11 0.04 -0.04 2.12 1.73 2z9zA1 VAL 587 HG13 -0.37 -0.03 -0.21 -0.04 0.97 0.32 2z9zA1 VAL 587 HG23 -0.88 0.06 -0.04 -0.04 0.95 0.04 2z9zA1 GLN 588 H -0.31 0.50 -0.22 -0.55 8.47 7.89 2z9zA1 GLN 588 HA -0.22 0.03 0.39 -0.75 4.36 3.80 2z9zA1 GLN 588 HB2 -0.17 0.15 0.21 -0.04 2.15 2.30 2z9zA1 GLN 588 HB3 -0.14 -0.06 0.02 -0.04 2.02 1.80 2z9zA1 GLN 588 HG2 -0.17 0.07 -0.02 -0.04 2.40 2.24 2z9zA1 GLN 588 HG3 -0.21 0.13 0.01 -0.04 2.39 2.28 2z9zA1 GLN 588 HE21 -0.09 -0.13 0.06 -0.04 6.97 6.76 2z9zA1 GLN 588 HE22 -0.12 0.47 0.06 -0.04 7.69 8.07 2z9zA1 GLU 589 H -0.24 0.55 -0.11 -0.55 8.60 8.26 2z9zA1 GLU 589 HA -0.13 -0.02 0.36 -0.75 4.29 3.74 2z9zA1 GLU 589 HB2 -0.21 0.15 0.17 -0.04 2.09 2.16 2z9zA1 GLU 589 HB3 -0.11 -0.05 0.01 -0.04 1.99 1.79 2z9zA1 GLU 589 HG2 -0.07 -0.09 0.04 -0.04 2.34 2.19 2z9zA1 GLU 589 HG3 -0.09 0.23 0.10 -0.04 2.34 2.54 2z9zA1 LYS 590 H -0.48 0.46 -0.24 -0.55 8.42 7.60 2z9zA1 LYS 590 HA -0.21 0.05 0.38 -0.75 4.32 3.79 2z9zA1 LYS 590 HB2 -0.95 0.09 0.12 -0.04 1.87 1.09 2z9zA1 LYS 590 HB3 -0.30 -0.08 -0.00 -0.04 1.79 1.37 2z9zA1 LYS 590 HG2 -0.65 0.02 -0.00 -0.04 1.46 0.79 2z9zA1 LYS 590 HG3 -1.01 -0.04 -0.04 -0.04 1.46 0.33 2z9zA1 LYS 590 HD2 -0.07 0.02 0.06 -0.04 1.69 1.66 2z9zA1 LYS 590 HD3 -0.03 -0.02 -0.02 -0.04 1.68 1.57 2z9zA1 LYS 590 HE2 0.30 -0.01 -0.03 -0.04 2.99 3.22 2z9zA1 LYS 590 HE3 0.29 -0.01 -0.02 -0.04 2.99 3.21 2z9zA1 THR 591 H -0.27 0.32 -0.34 -0.55 8.28 7.44 2z9zA1 THR 591 HA -0.09 0.11 0.74 -0.75 4.39 4.39 2z9zA1 THR 591 HB -0.13 -0.10 0.08 -0.04 4.32 4.12 2z9zA1 THR 591 HG23 -0.16 -0.04 -0.04 -0.04 1.22 0.94 2z9zA1 ALA 592 H -0.14 0.28 -0.15 -0.55 8.40 7.84 2z9zA1 ALA 592 HA -0.09 -0.09 0.37 -0.75 4.34 3.78 2z9zA1 ALA 592 HB3 -0.08 0.04 0.11 -0.04 1.41 1.44 2z9zA1 GLY 593 H -0.06 0.06 0.20 -0.55 8.43 8.09 2z9zA1 GLY 593 HA2 -0.04 -0.09 0.36 -0.51 4.01 3.73 2z9zA1 GLY 593 HA3 -0.04 0.09 0.43 -0.51 4.01 3.97 2z9zA1 LYS 594 H -0.06 0.56 -0.35 -0.55 8.42 8.02 2z9zA1 LYS 594 HA -0.03 0.08 0.61 -0.75 4.32 4.23 2z9zA1 LYS 594 HB2 -0.06 0.14 0.09 -0.04 1.87 2.00 2z9zA1 LYS 594 HB3 -0.04 -0.03 0.06 -0.04 1.79 1.74 2z9zA1 LYS 594 HG2 -0.03 -0.09 -0.06 -0.04 1.46 1.24 2z9zA1 LYS 594 HG3 -0.04 0.16 -0.21 -0.04 1.46 1.32 2z9zA1 LYS 594 HD2 -0.03 0.09 0.11 -0.04 1.69 1.82 2z9zA1 LYS 594 HD3 -0.02 -0.12 0.02 -0.04 1.68 1.53 2z9zA1 LYS 594 HE2 -0.01 -0.13 -0.00 -0.04 2.99 2.81 2z9zA1 LYS 594 HE3 -0.03 0.06 -0.02 -0.04 2.99 2.96 2z9zA1 PRO 595 HA -0.02 -0.02 0.48 -0.51 4.44 4.37 2z9zA1 PRO 595 HB2 -0.02 0.01 -0.05 -0.04 2.28 2.18 2z9zA1 PRO 595 HB3 -0.00 0.00 0.06 -0.04 2.02 2.04 2z9zA1 PRO 595 HG2 -0.01 0.02 0.07 -0.04 2.03 2.07 2z9zA1 PRO 595 HG3 -0.01 0.03 0.09 -0.04 2.03 2.10 2z9zA1 PRO 595 HD2 -0.02 0.09 0.20 -0.04 3.68 3.91 2z9zA1 PRO 595 HD3 -0.02 0.20 0.22 -0.04 3.65 4.00 2z9zA1 ILE 596 H -0.04 0.08 0.11 -0.55 8.25 7.85 2z9zA1 ILE 596 HA -0.19 0.14 0.41 -0.75 4.18 3.78 2z9zA1 ILE 596 HB -0.13 -0.02 0.05 -0.04 1.89 1.75 2z9zA1 ILE 596 HG12 -0.20 0.07 -0.13 -0.04 1.49 1.19 2z9zA1 ILE 596 HG13 -0.09 0.05 -0.03 -0.04 1.21 1.09 2z9zA1 ILE 596 HG23 -1.07 -0.03 -0.35 -0.04 0.93 -0.57 2z9zA1 ILE 596 HD13 -0.04 -0.03 -0.35 -0.04 0.88 0.41 2z9zA1 LEU 597 H -0.21 0.21 0.09 -0.55 8.37 7.92 2z9zA1 LEU 597 HA -0.07 0.17 0.84 -0.75 4.35 4.53 2z9zA1 LEU 597 HB2 -0.16 0.09 0.01 -0.04 1.64 1.55 2z9zA1 LEU 597 HB3 -0.25 -0.08 0.14 -0.04 1.64 1.41 2z9zA1 LEU 597 HG -0.45 0.03 -0.25 -0.04 1.64 0.93 2z9zA1 LEU 597 HD13 -0.07 0.00 -0.05 -0.04 0.93 0.76 2z9zA1 LEU 597 HD23 -0.55 -0.01 -0.10 -0.04 0.89 0.19 2z9zA1 PHE 598 H 0.16 0.27 -0.11 -0.55 8.34 8.11 2z9zA1 PHE 598 HA 0.04 0.06 0.37 -0.75 4.62 4.34 2z9zA1 PHE 598 HB2 0.07 0.06 0.04 -0.04 3.15 3.28 2z9zA1 PHE 598 HB3 0.10 0.02 0.02 -0.04 3.06 3.16 2z9zA1 PHE 598 HD2 0.04 0.02 -0.05 -0.04 7.28 7.24 2z9zA1 PHE 598 HE2 0.01 0.03 -0.11 -0.04 7.38 7.27 2z9zA1 PHE 598 HZ 0.00 0.02 -0.15 -0.04 7.32 7.16