============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TYR 4 0.840 -27.043 -38.210 62.394 -99.200 -91.000 TYR 8 0.840 -34.495 -47.049 68.185 -99.200 -91.000 TYR 10 0.840 -31.466 -40.279 60.051 -99.200 -91.000 PHE 14 1.000 -31.804 -35.428 59.668 -99.200 -91.000 TYR 24 0.840 -41.842 -20.331 59.636 -99.200 -91.000 TRP 41 1.040 -69.811 -16.559 42.817 -99.200 -91.000 TRP6 41 1.020 -69.248 -18.485 44.067 -99.200 -91.000 TYR 52 0.840 -62.121 -17.033 37.081 -99.200 -91.000 PHE 53 1.000 -60.221 -16.282 45.412 -99.200 -91.000 TYR 67 0.840 -72.292 -14.175 51.751 -99.200 -91.000 TRP 75 1.040 -71.398 -22.551 50.232 -99.200 -91.000 TRP6 75 1.020 -69.474 -21.591 49.247 -99.200 -91.000 HIS 80 0.900 -58.810 -28.474 41.780 -99.200 -91.000 TYR 88 0.840 -55.416 -12.658 33.247 -99.200 -91.000 HIS 108 0.900 -68.983 -5.963 47.104 -99.200 -91.000 PHE 110 1.000 -68.234 -15.027 48.623 -99.200 -91.000 PHE 114 1.000 -54.142 -18.520 50.571 -99.200 -91.000 TRP 116 1.040 -50.273 -27.168 57.420 -99.200 -91.000 TRP6 116 1.020 -50.540 -28.801 59.092 -99.200 -91.000 PHE 121 1.000 -44.964 -30.128 56.707 -99.200 -91.000 PHE 131 1.000 -32.347 -45.075 59.031 -99.200 -91.000 TYR 141 0.840 -22.617 -50.570 51.925 -99.200 -91.000 TYR 143 0.840 -28.470 -48.889 61.109 -99.200 -91.000 HIS 144 0.900 -23.575 -50.753 60.158 -99.200 -91.000 HIS 149 0.900 -22.925 -46.509 62.197 -99.200 -91.000 PHE 164 1.000 -22.168 -50.361 31.017 -99.200 -91.000 HIS 174 0.900 -15.198 -41.869 26.172 -99.200 -91.000 TYR 178 0.840 -16.027 -43.645 36.405 -99.200 -91.000 TYR 208 0.840 -33.110 -50.639 28.851 -99.200 -91.000 HIS 209 0.900 -28.406 -50.637 31.116 -99.200 -91.000 HIS 236 0.900 -44.101 -44.356 27.243 -99.200 -91.000 PHE 259 1.000 -48.465 -41.961 27.627 -99.200 -91.000 HIS 263 0.900 -55.104 -39.822 37.433 -99.200 -91.000 TYR 292 0.840 -65.003 -46.186 41.714 -99.200 -91.000 PHE 327 1.000 -41.358 -49.845 45.537 -99.200 -91.000 HIS 360 0.900 -21.832 -31.121 45.782 -99.200 -91.000 PHE 382 1.000 -25.465 -35.359 45.545 -99.200 -91.000 TYR 399 0.840 -24.476 -33.708 25.924 -99.200 -91.000 HIS 402 0.900 -21.476 -19.511 21.718 -99.200 -91.000 PHE 408 1.000 -17.723 -16.255 36.611 -99.200 -91.000 PHE 413 1.000 -20.264 -20.608 40.582 -99.200 -91.000 TYR 414 0.840 -20.400 -26.964 38.330 -99.200 -91.000 PHE 432 1.000 -31.180 -13.235 17.537 -99.200 -91.000 PHE 434 1.000 -29.351 -8.685 20.528 -99.200 -91.000 TRP 436 1.040 -25.103 -11.629 20.389 -99.200 -91.000 TRP6 436 1.020 -26.034 -11.808 22.552 -99.200 -91.000 PHE 444 1.000 -24.984 -7.018 25.660 -99.200 -91.000 PHE 445 1.000 -22.810 -5.866 34.722 -99.200 -91.000 TYR 446 0.840 -26.903 -1.243 28.516 -99.200 -91.000 TYR 461 0.840 -33.108 -2.458 49.034 -99.200 -91.000 TYR 493 0.840 -32.971 -6.970 45.675 -99.200 -91.000 TYR 499 0.840 -40.751 0.158 37.600 -99.200 -91.000 TYR 503 0.840 -40.562 0.732 31.940 -99.200 -91.000 PHE 506 1.000 -47.938 0.726 34.944 -99.200 -91.000 HIS 511 0.900 -49.961 -3.121 20.328 -99.200 -91.000 TYR 515 0.840 -42.886 -5.867 25.694 -99.200 -91.000 PHE 526 1.000 -36.394 -17.935 34.991 -99.200 -91.000 PHE 533 1.000 -31.551 -15.371 22.514 -99.200 -91.000 PHE 543 1.000 -29.030 -12.250 39.948 -99.200 -91.000 TYR 559 0.840 -29.689 -21.020 20.439 -99.200 -91.000 TRP 576 1.040 -22.478 -10.612 41.331 -99.200 -91.000 TRP6 576 1.020 -23.161 -10.434 39.078 -99.200 -91.000 HIS 578 0.900 -12.200 -14.146 39.244 -99.200 -91.000 TYR 582 0.840 -14.525 -14.799 31.521 -99.200 -91.000 TYR 583 0.840 -19.667 -11.299 31.487 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2gk6B1 GLY 293 HA2 -0.02 -0.04 0.12 -0.51 4.01 3.56 2gk6B1 GLY 293 HA3 -0.01 0.02 0.15 -0.51 4.01 3.66 2gk6B1 SER 294 H -0.00 0.15 -0.02 -0.55 8.46 8.03 2gk6B1 SER 294 HA -0.11 0.11 0.66 -0.75 4.49 4.39 2gk6B1 SER 294 HB2 0.03 -0.04 0.10 -0.04 3.95 4.01 2gk6B1 SER 294 HB3 0.09 0.04 0.19 -0.04 3.93 4.21 2gk6B1 ARG 295 H -0.17 0.53 -0.28 -0.55 8.46 7.98 2gk6B1 ARG 295 HA 0.06 0.20 0.53 -0.75 4.34 4.38 2gk6B1 ARG 295 HB2 0.01 -0.03 -0.19 -0.04 1.90 1.64 2gk6B1 ARG 295 HB3 -0.03 -0.01 -0.05 -0.04 1.80 1.66 2gk6B1 ARG 295 HG2 0.10 -0.08 -0.25 -0.04 1.67 1.40 2gk6B1 ARG 295 HG3 0.13 0.16 -0.02 -0.04 1.67 1.90 2gk6B1 ARG 295 HD2 0.08 -0.06 -0.11 -0.04 3.22 3.09 2gk6B1 ARG 295 HD3 0.04 0.06 -0.04 -0.04 3.22 3.25 2gk6B1 TYR 296 H 0.26 0.66 0.25 -0.55 8.29 8.91 2gk6B1 TYR 296 HA 0.10 0.11 0.87 -0.75 4.56 4.89 2gk6B1 TYR 296 HB2 0.10 0.04 0.02 -0.04 3.06 3.18 2gk6B1 TYR 296 HB3 0.15 -0.17 0.06 -0.04 2.98 2.98 2gk6B1 TYR 296 HD2 0.15 0.00 -0.13 -0.04 7.15 7.13 2gk6B1 TYR 296 HE2 0.10 0.05 -0.12 -0.04 6.85 6.85 2gk6B1 GLU 297 H 0.22 0.04 0.16 -0.55 8.60 8.48 2gk6B1 GLU 297 HA 0.20 0.20 0.55 -0.75 4.29 4.49 2gk6B1 GLU 297 HB2 0.10 0.02 0.11 -0.04 2.09 2.28 2gk6B1 GLU 297 HB3 0.13 -0.09 0.02 -0.04 1.99 2.01 2gk6B1 GLU 297 HG2 0.07 -0.04 -0.01 -0.04 2.34 2.32 2gk6B1 GLU 297 HG3 0.04 0.06 0.09 -0.04 2.34 2.49 2gk6B1 ASP 298 H 0.20 0.08 0.12 -0.55 8.40 8.25 2gk6B1 ASP 298 HA 0.14 0.27 0.38 -0.75 4.63 4.67 2gk6B1 ASP 298 HB2 0.20 -0.02 0.22 -0.04 2.71 3.06 2gk6B1 ASP 298 HB3 0.19 0.25 -0.03 -0.04 2.70 3.07 2gk6B1 ALA 299 H -0.03 0.29 0.14 -0.55 8.40 8.26 2gk6B1 ALA 299 HA -0.21 0.13 0.53 -0.75 4.34 4.04 2gk6B1 ALA 299 HB3 -0.76 0.06 -0.05 -0.04 1.41 0.62 2gk6B1 TYR 300 H 0.06 0.10 -0.11 -0.55 8.29 7.78 2gk6B1 TYR 300 HA 0.06 0.16 0.51 -0.75 4.56 4.53 2gk6B1 TYR 300 HB2 0.05 -0.05 0.08 -0.04 3.06 3.10 2gk6B1 TYR 300 HB3 0.05 0.04 -0.00 -0.04 2.98 3.02 2gk6B1 TYR 300 HD2 0.03 -0.05 0.03 -0.04 7.15 7.12 2gk6B1 TYR 300 HE2 -0.00 0.00 -0.02 -0.04 6.85 6.79 2gk6B1 GLN 301 H 0.21 0.07 -0.17 -0.55 8.47 8.04 2gk6B1 GLN 301 HA 0.16 0.11 0.49 -0.75 4.36 4.37 2gk6B1 GLN 301 HB2 0.17 -0.02 0.10 -0.04 2.15 2.36 2gk6B1 GLN 301 HB3 0.26 0.02 0.08 -0.04 2.02 2.34 2gk6B1 GLN 301 HG2 0.18 0.01 0.00 -0.04 2.40 2.56 2gk6B1 GLN 301 HG3 0.12 0.02 0.03 -0.04 2.39 2.53 2gk6B1 GLN 301 HE21 0.13 0.15 0.15 -0.04 6.97 7.35 2gk6B1 GLN 301 HE22 0.18 -0.12 0.13 -0.04 7.69 7.84 2gk6B1 TYR 302 H 0.23 0.26 -0.30 -0.55 8.29 7.93 2gk6B1 TYR 302 HA -0.14 0.08 0.38 -0.75 4.56 4.13 2gk6B1 TYR 302 HB2 -0.16 0.09 0.09 -0.04 3.06 3.04 2gk6B1 TYR 302 HB3 -0.02 0.07 0.16 -0.04 2.98 3.14 2gk6B1 TYR 302 HD2 -0.34 0.06 -0.12 -0.04 7.15 6.71 2gk6B1 TYR 302 HE2 -0.19 0.03 -0.09 -0.04 6.85 6.56 2gk6B1 GLN 303 H 0.21 0.56 -0.25 -0.55 8.47 8.44 2gk6B1 GLN 303 HA 0.12 -0.03 0.53 -0.75 4.36 4.23 2gk6B1 GLN 303 HB2 0.15 0.12 0.06 -0.04 2.15 2.44 2gk6B1 GLN 303 HB3 0.14 0.12 0.18 -0.04 2.02 2.42 2gk6B1 GLN 303 HG2 0.11 -0.01 -0.37 -0.04 2.40 2.09 2gk6B1 GLN 303 HG3 0.11 -0.09 -0.05 -0.04 2.39 2.32 2gk6B1 GLN 303 HE21 0.10 0.00 -0.03 -0.04 6.97 7.00 2gk6B1 GLN 303 HE22 0.09 -0.04 -0.06 -0.04 7.69 7.64 2gk6B1 ASN 304 H 0.13 0.48 -0.18 -0.55 8.53 8.42 2gk6B1 ASN 304 HA 0.08 -0.02 0.33 -0.75 4.76 4.38 2gk6B1 ASN 304 HB2 0.10 0.08 0.17 -0.04 2.88 3.19 2gk6B1 ASN 304 HB3 0.07 -0.05 0.08 -0.04 2.79 2.85 2gk6B1 ASN 304 HD21 0.10 -0.05 -0.02 -0.04 7.03 7.02 2gk6B1 ASN 304 HD22 0.09 -0.04 0.01 -0.04 7.74 7.76 2gk6B1 ILE 305 H 0.04 0.22 -0.72 -0.55 8.25 7.24 2gk6B1 ILE 305 HA -0.04 0.11 0.74 -0.75 4.18 4.24 2gk6B1 ILE 305 HB 0.00 0.11 0.10 -0.04 1.89 2.07 2gk6B1 ILE 305 HG12 0.00 -0.03 -0.03 -0.04 1.49 1.40 2gk6B1 ILE 305 HG13 0.07 -0.04 -0.17 -0.04 1.21 1.03 2gk6B1 ILE 305 HG23 -0.29 -0.01 -0.14 -0.04 0.93 0.45 2gk6B1 ILE 305 HD13 0.19 -0.01 -0.06 -0.04 0.88 0.96 2gk6B1 PHE 306 H 0.01 0.46 0.12 -0.55 8.34 8.38 2gk6B1 PHE 306 HA -0.08 0.08 0.57 -0.75 4.62 4.44 2gk6B1 PHE 306 HB2 -0.38 0.16 0.16 -0.04 3.15 3.05 2gk6B1 PHE 306 HB3 -0.16 -0.10 -0.01 -0.04 3.06 2.75 2gk6B1 PHE 306 HD2 -0.63 0.04 0.03 -0.04 7.28 6.68 2gk6B1 PHE 306 HE2 -0.22 0.05 -0.02 -0.04 7.38 7.14 2gk6B1 PHE 306 HZ 0.02 0.06 -0.03 -0.04 7.32 7.33 2gk6B1 GLY 307 H 0.08 0.58 0.06 -0.55 8.43 8.61 2gk6B1 GLY 307 HA2 0.09 -0.04 0.41 -0.51 4.01 3.96 2gk6B1 GLY 307 HA3 0.08 0.17 0.30 -0.51 4.01 4.04 2gk6B1 PRO 308 HA 0.03 -0.02 0.49 -0.51 4.44 4.43 2gk6B1 PRO 308 HB2 -0.00 0.10 -0.05 -0.04 2.28 2.29 2gk6B1 PRO 308 HB3 0.01 -0.03 0.05 -0.04 2.02 2.02 2gk6B1 PRO 308 HG2 0.01 0.28 0.09 -0.04 2.03 2.37 2gk6B1 PRO 308 HG3 0.03 -0.05 0.03 -0.04 2.03 2.00 2gk6B1 PRO 308 HD2 0.01 0.13 -0.57 -0.04 3.68 3.21 2gk6B1 PRO 308 HD3 0.05 0.14 -0.04 -0.04 3.65 3.76 2gk6B1 LEU 309 H 0.01 0.37 -0.45 -0.55 8.37 7.76 2gk6B1 LEU 309 HA 0.01 -0.02 0.48 -0.75 4.35 4.07 2gk6B1 LEU 309 HB2 0.01 0.20 0.21 -0.04 1.64 2.01 2gk6B1 LEU 309 HB3 0.07 -0.09 -0.02 -0.04 1.64 1.55 2gk6B1 LEU 309 HG -0.02 -0.10 0.00 -0.04 1.64 1.47 2gk6B1 LEU 309 HD13 -0.05 0.00 -0.02 -0.04 0.93 0.83 2gk6B1 LEU 309 HD23 -0.24 0.12 -0.10 -0.04 0.89 0.62 2gk6B1 VAL 310 H 0.09 0.62 -0.08 -0.55 8.24 8.32 2gk6B1 VAL 310 HA 0.14 -0.04 0.45 -0.75 4.13 3.93 2gk6B1 VAL 310 HB 0.12 0.22 0.14 -0.04 2.12 2.56 2gk6B1 VAL 310 HG13 0.24 -0.03 -0.06 -0.04 0.97 1.08 2gk6B1 VAL 310 HG23 0.13 0.05 -0.01 -0.04 0.95 1.08 2gk6B1 LYS 311 H 0.06 0.48 -0.14 -0.55 8.42 8.26 2gk6B1 LYS 311 HA 0.02 -0.01 0.44 -0.75 4.32 4.02 2gk6B1 LYS 311 HB2 0.02 0.16 0.17 -0.04 1.87 2.19 2gk6B1 LYS 311 HB3 0.01 -0.04 -0.03 -0.04 1.79 1.69 2gk6B1 LYS 311 HG2 0.05 -0.06 0.02 -0.04 1.46 1.43 2gk6B1 LYS 311 HG3 0.05 0.16 -0.01 -0.04 1.46 1.63 2gk6B1 LYS 311 HD2 0.02 0.02 -0.02 -0.04 1.69 1.67 2gk6B1 LYS 311 HD3 0.03 -0.04 -0.02 -0.04 1.68 1.61 2gk6B1 LYS 311 HE2 0.04 0.00 -0.04 -0.04 2.99 2.95 2gk6B1 LYS 311 HE3 0.05 -0.02 -0.05 -0.04 2.99 2.93 2gk6B1 LEU 312 H 0.01 0.62 -0.15 -0.55 8.37 8.30 2gk6B1 LEU 312 HA -0.00 0.02 0.41 -0.75 4.35 4.02 2gk6B1 LEU 312 HB2 0.01 0.26 0.24 -0.04 1.64 2.10 2gk6B1 LEU 312 HB3 -0.01 -0.14 0.01 -0.04 1.64 1.46 2gk6B1 LEU 312 HG 0.01 -0.06 0.04 -0.04 1.64 1.59 2gk6B1 LEU 312 HD13 -0.00 0.02 -0.02 -0.04 0.93 0.88 2gk6B1 LEU 312 HD23 -0.01 -0.03 -0.10 -0.04 0.89 0.71 2gk6B1 GLU 313 H 0.02 0.50 -0.10 -0.55 8.60 8.47 2gk6B1 GLU 313 HA 0.03 -0.04 0.51 -0.75 4.29 4.04 2gk6B1 GLU 313 HB2 0.08 0.18 0.16 -0.04 2.09 2.48 2gk6B1 GLU 313 HB3 0.18 0.04 -0.01 -0.04 1.99 2.16 2gk6B1 GLU 313 HG2 -0.04 -0.14 0.14 -0.04 2.34 2.25 2gk6B1 GLU 313 HG3 0.02 0.10 0.05 -0.04 2.34 2.47 2gk6B1 ALA 314 H -0.17 0.59 -0.16 -0.55 8.40 8.11 2gk6B1 ALA 314 HA -1.66 -0.00 0.49 -0.75 4.34 2.41 2gk6B1 ALA 314 HB3 -0.29 0.03 0.13 -0.04 1.41 1.23 2gk6B1 ASP 315 H -0.15 0.64 -0.02 -0.55 8.40 8.32 2gk6B1 ASP 315 HA -0.39 0.05 0.63 -0.75 4.63 4.16 2gk6B1 ASP 315 HB2 -0.12 0.10 0.13 -0.04 2.71 2.78 2gk6B1 ASP 315 HB3 -0.10 0.06 0.04 -0.04 2.70 2.66 2gk6B1 TYR 316 H 0.02 0.48 -0.10 -0.55 8.29 8.14 2gk6B1 TYR 316 HA -0.10 0.05 0.52 -0.75 4.56 4.28 2gk6B1 TYR 316 HB2 -0.05 0.12 0.17 -0.04 3.06 3.26 2gk6B1 TYR 316 HB3 -0.04 -0.00 0.15 -0.04 2.98 3.05 2gk6B1 TYR 316 HD2 -0.01 0.02 -0.18 -0.04 7.15 6.94 2gk6B1 TYR 316 HE2 -0.00 0.02 -0.02 -0.04 6.85 6.80 2gk6B1 ASP 317 H 0.04 0.57 -0.22 -0.55 8.40 8.24 2gk6B1 ASP 317 HA 0.15 0.02 0.50 -0.75 4.63 4.55 2gk6B1 ASP 317 HB2 0.30 0.02 0.18 -0.04 2.71 3.17 2gk6B1 ASP 317 HB3 0.23 0.16 0.19 -0.04 2.70 3.24 2gk6B1 LYS 318 H -0.44 0.33 -0.22 -0.55 8.42 7.54 2gk6B1 LYS 318 HA -1.09 0.01 0.43 -0.75 4.32 2.92 2gk6B1 LYS 318 HB2 -2.03 0.07 0.15 -0.04 1.87 0.02 2gk6B1 LYS 318 HB3 -0.73 0.05 0.24 -0.04 1.79 1.31 2gk6B1 LYS 318 HG2 -0.54 0.02 -0.15 -0.04 1.46 0.75 2gk6B1 LYS 318 HG3 -0.99 -0.04 0.02 -0.04 1.46 0.41 2gk6B1 LYS 318 HD2 -1.80 -0.03 -0.02 -0.04 1.69 -0.20 2gk6B1 LYS 318 HD3 -0.63 0.00 -0.00 -0.04 1.68 1.01 2gk6B1 LYS 318 HE2 -0.15 -0.01 -0.02 -0.04 2.99 2.78 2gk6B1 LYS 318 HE3 -0.13 -0.01 -0.02 -0.04 2.99 2.79 2gk6B1 LYS 319 H -0.33 0.62 0.05 -0.55 8.42 8.20 2gk6B1 LYS 319 HA -0.19 0.01 0.41 -0.75 4.32 3.80 2gk6B1 LYS 319 HB2 -0.26 0.13 0.19 -0.04 1.87 1.88 2gk6B1 LYS 319 HB3 -0.22 0.01 -0.03 -0.04 1.79 1.50 2gk6B1 LYS 319 HG2 -0.15 -0.02 0.03 -0.04 1.46 1.28 2gk6B1 LYS 319 HG3 -0.14 -0.00 0.06 -0.04 1.46 1.33 2gk6B1 LYS 319 HD2 -0.22 -0.05 0.00 -0.04 1.69 1.38 2gk6B1 LYS 319 HD3 -0.23 0.15 0.10 -0.04 1.68 1.66 2gk6B1 LYS 319 HE2 -0.12 -0.01 0.00 -0.04 2.99 2.83 2gk6B1 LYS 319 HE3 -0.11 0.01 0.01 -0.04 2.99 2.85 2gk6B1 LEU 320 H -0.26 0.46 -0.30 -0.55 8.37 7.73 2gk6B1 LEU 320 HA -0.17 0.01 0.47 -0.75 4.35 3.91 2gk6B1 LEU 320 HB2 -0.29 0.13 0.18 -0.04 1.64 1.63 2gk6B1 LEU 320 HB3 -0.05 0.08 0.19 -0.04 1.64 1.82 2gk6B1 LEU 320 HG -0.03 0.02 -0.11 -0.04 1.64 1.49 2gk6B1 LEU 320 HD13 -0.07 -0.01 0.04 -0.04 0.93 0.84 2gk6B1 LEU 320 HD23 0.14 -0.02 -0.01 -0.04 0.89 0.96 2gk6B1 LYS 321 H -0.05 0.55 -0.12 -0.55 8.42 8.25 2gk6B1 LYS 321 HA 0.02 -0.00 0.40 -0.75 4.32 3.98 2gk6B1 LYS 321 HB2 0.19 0.11 0.19 -0.04 1.87 2.31 2gk6B1 LYS 321 HB3 0.12 0.04 0.14 -0.04 1.79 2.06 2gk6B1 LYS 321 HG2 0.33 -0.05 -0.29 -0.04 1.46 1.40 2gk6B1 LYS 321 HG3 0.25 0.00 0.01 -0.04 1.46 1.68 2gk6B1 LYS 321 HD2 0.21 -0.04 -0.08 -0.04 1.69 1.74 2gk6B1 LYS 321 HD3 0.12 -0.00 0.01 -0.04 1.68 1.77 2gk6B1 LYS 321 HE2 0.42 0.03 -0.00 -0.04 2.99 3.39 2gk6B1 LYS 321 HE3 0.32 -0.01 -0.07 -0.04 2.99 3.19 2gk6B1 GLU 322 H -0.06 0.49 -0.11 -0.55 8.60 8.38 2gk6B1 GLU 322 HA 0.05 0.04 0.58 -0.75 4.29 4.20 2gk6B1 GLU 322 HB2 -0.08 0.06 0.14 -0.04 2.09 2.18 2gk6B1 GLU 322 HB3 -0.03 -0.04 0.06 -0.04 1.99 1.94 2gk6B1 GLU 322 HG2 0.01 -0.04 0.04 -0.04 2.34 2.31 2gk6B1 GLU 322 HG3 -0.05 0.09 0.05 -0.04 2.34 2.38 2gk6B1 SER 323 H -0.05 0.45 -0.23 -0.55 8.46 8.09 2gk6B1 SER 323 HA -0.01 0.04 0.60 -0.75 4.49 4.36 2gk6B1 SER 323 HB2 -0.06 0.13 0.17 -0.04 3.95 4.15 2gk6B1 SER 323 HB3 -0.04 -0.08 0.16 -0.04 3.93 3.94 2gk6B1 GLN 324 H 0.03 0.27 -0.46 -0.55 8.47 7.76 2gk6B1 GLN 324 HA 0.02 0.11 0.64 -0.75 4.36 4.38 2gk6B1 GLN 324 HB2 -0.02 0.16 0.14 -0.04 2.15 2.38 2gk6B1 GLN 324 HB3 -0.33 -0.08 0.13 -0.04 2.02 1.70 2gk6B1 GLN 324 HG2 -0.18 -0.03 0.04 -0.04 2.40 2.18 2gk6B1 GLN 324 HG3 -0.11 0.16 0.01 -0.04 2.39 2.42 2gk6B1 GLN 324 HE21 -0.12 -0.06 -0.03 -0.04 6.97 6.71 2gk6B1 GLN 324 HE22 -0.10 0.01 -0.12 -0.04 7.69 7.44 2gk6B1 THR 325 H 0.10 0.25 -0.38 -0.55 8.28 7.69 2gk6B1 THR 325 HA 0.13 0.17 0.67 -0.75 4.39 4.61 2gk6B1 THR 325 HB 0.05 0.08 0.18 -0.04 4.32 4.58 2gk6B1 THR 325 HG23 0.02 -0.02 -0.18 -0.04 1.22 0.99 2gk6B1 GLN 326 H 0.05 0.37 0.39 -0.55 8.47 8.73 2gk6B1 GLN 326 HA 0.04 0.13 0.90 -0.75 4.36 4.68 2gk6B1 GLN 326 HB2 0.04 -0.09 0.09 -0.04 2.15 2.14 2gk6B1 GLN 326 HB3 0.05 0.04 0.11 -0.04 2.02 2.18 2gk6B1 GLN 326 HG2 0.14 0.15 -0.43 -0.04 2.40 2.22 2gk6B1 GLN 326 HG3 0.16 -0.06 -0.01 -0.04 2.39 2.43 2gk6B1 GLN 326 HE21 0.04 -0.05 0.01 -0.04 6.97 6.93 2gk6B1 GLN 326 HE22 0.06 0.17 -0.09 -0.04 7.69 7.79 2gk6B1 ASP 327 H 0.02 0.15 0.17 -0.55 8.40 8.20 2gk6B1 ASP 327 HA 0.00 0.17 0.99 -0.75 4.63 5.04 2gk6B1 ASP 327 HB2 -0.00 -0.01 0.09 -0.04 2.71 2.74 2gk6B1 ASP 327 HB3 -0.01 0.00 0.07 -0.04 2.70 2.73 2gk6B1 ASN 328 H 0.01 0.08 0.10 -0.55 8.53 8.16 2gk6B1 ASN 328 HA 0.02 -0.04 0.40 -0.75 4.76 4.38 2gk6B1 ASN 328 HB2 0.01 0.06 -0.16 -0.04 2.88 2.75 2gk6B1 ASN 328 HB3 -0.00 0.01 0.26 -0.04 2.79 3.02 2gk6B1 ASN 328 HD21 0.02 -0.03 0.03 -0.04 7.03 7.01 2gk6B1 ASN 328 HD22 0.02 0.02 0.05 -0.04 7.74 7.79 2gk6B1 ILE 329 H 0.06 0.43 0.10 -0.55 8.25 8.30 2gk6B1 ILE 329 HA 0.01 0.17 0.85 -0.75 4.18 4.45 2gk6B1 ILE 329 HB -0.02 -0.07 -0.17 -0.04 1.89 1.59 2gk6B1 ILE 329 HG12 -0.01 0.00 -0.48 -0.04 1.49 0.97 2gk6B1 ILE 329 HG13 -0.08 -0.09 -0.20 -0.04 1.21 0.80 2gk6B1 ILE 329 HG23 -0.12 0.02 -0.25 -0.04 0.93 0.55 2gk6B1 ILE 329 HD13 0.03 0.05 -0.07 -0.04 0.88 0.85 2gk6B1 THR 330 H -0.00 0.15 0.21 -0.55 8.28 8.09 2gk6B1 THR 330 HA 0.06 0.08 0.66 -0.75 4.39 4.44 2gk6B1 THR 330 HB 0.01 -0.08 0.15 -0.04 4.32 4.36 2gk6B1 THR 330 HG23 0.08 0.08 0.12 -0.04 1.22 1.45 2gk6B1 VAL 331 H 0.03 0.22 0.07 -0.55 8.24 8.02 2gk6B1 VAL 331 HA -0.13 0.38 0.91 -0.75 4.13 4.54 2gk6B1 VAL 331 HB -0.55 -0.05 -0.01 -0.04 2.12 1.47 2gk6B1 VAL 331 HG13 -1.32 0.00 -0.15 -0.04 0.97 -0.54 2gk6B1 VAL 331 HG23 -0.99 0.00 -0.29 -0.04 0.95 -0.37 2gk6B1 ARG 332 H -0.18 0.48 0.21 -0.55 8.46 8.41 2gk6B1 ARG 332 HA 0.03 0.14 0.64 -0.75 4.34 4.39 2gk6B1 ARG 332 HB2 0.08 -0.11 0.12 -0.04 1.90 1.95 2gk6B1 ARG 332 HB3 0.05 0.06 0.02 -0.04 1.80 1.88 2gk6B1 ARG 332 HG2 0.03 0.09 0.01 -0.04 1.67 1.76 2gk6B1 ARG 332 HG3 0.01 -0.02 -0.34 -0.04 1.67 1.29 2gk6B1 ARG 332 HD2 -0.02 0.01 -0.04 -0.04 3.22 3.13 2gk6B1 ARG 332 HD3 -0.02 -0.02 -0.09 -0.04 3.22 3.05 2gk6B1 TRP 333 H 0.28 0.17 0.09 -0.55 7.97 7.96 2gk6B1 TRP 333 HA 0.01 0.20 0.73 -0.75 4.62 4.80 2gk6B1 TRP 333 HB2 -0.02 0.03 0.10 -0.04 3.23 3.29 2gk6B1 TRP 333 HB3 -0.04 -0.00 0.13 -0.04 3.23 3.27 2gk6B1 TRP 333 HD1 -0.03 0.02 -0.00 -0.04 7.22 7.16 2gk6B1 TRP 333 HE1 -0.08 0.18 0.10 -0.04 10.20 10.35 2gk6B1 TRP 333 HE3 -0.09 0.08 -0.04 -0.04 7.59 7.50 2gk6B1 TRP 333 HZ2 -0.18 -0.05 -0.14 -0.04 7.44 7.03 2gk6B1 TRP 333 HZ3 -0.11 -0.04 -0.19 -0.04 7.13 6.75 2gk6B1 TRP 333 HH2 -0.35 -0.04 -0.18 -0.04 7.19 6.57 2gk6B1 ASP 334 H 0.28 0.42 0.35 -0.55 8.40 8.91 2gk6B1 ASP 334 HA 0.14 0.10 0.48 -0.75 4.63 4.61 2gk6B1 ASP 334 HB2 0.28 0.03 -0.36 -0.04 2.71 2.62 2gk6B1 ASP 334 HB3 0.15 -0.07 -0.10 -0.04 2.70 2.64 2gk6B1 LEU 335 H 0.08 0.24 0.08 -0.55 8.37 8.22 2gk6B1 LEU 335 HA 0.05 0.13 0.83 -0.75 4.35 4.61 2gk6B1 LEU 335 HB2 0.04 -0.07 -0.01 -0.04 1.64 1.56 2gk6B1 LEU 335 HB3 0.03 0.07 0.02 -0.04 1.64 1.72 2gk6B1 LEU 335 HG 0.02 -0.01 -0.09 -0.04 1.64 1.52 2gk6B1 LEU 335 HD13 0.00 -0.00 -0.02 -0.04 0.93 0.87 2gk6B1 LEU 335 HD23 0.02 0.00 -0.12 -0.04 0.89 0.76 2gk6B1 GLY 336 H 0.03 0.36 0.07 -0.55 8.43 8.34 2gk6B1 GLY 336 HA2 0.03 0.10 0.56 -0.51 4.01 4.18 2gk6B1 GLY 336 HA3 0.02 0.05 0.34 -0.51 4.01 3.90 2gk6B1 LEU 337 H 0.02 0.17 0.15 -0.55 8.37 8.16 2gk6B1 LEU 337 HA 0.01 0.18 0.46 -0.75 4.35 4.24 2gk6B1 LEU 337 HB2 0.01 0.01 0.04 -0.04 1.64 1.66 2gk6B1 LEU 337 HB3 0.01 0.05 0.14 -0.04 1.64 1.79 2gk6B1 LEU 337 HG 0.01 -0.04 0.09 -0.04 1.64 1.67 2gk6B1 LEU 337 HD13 0.01 0.01 0.02 -0.04 0.93 0.93 2gk6B1 LEU 337 HD23 0.01 0.02 -0.04 -0.04 0.89 0.84 2gk6B1 ASN 338 H 0.02 -0.01 -0.32 -0.55 8.53 7.68 2gk6B1 ASN 338 HA 0.01 0.22 0.73 -0.75 4.76 4.98 2gk6B1 ASN 338 HB2 0.02 0.07 0.12 -0.04 2.88 3.04 2gk6B1 ASN 338 HB3 0.02 0.04 0.07 -0.04 2.79 2.87 2gk6B1 ASN 338 HD21 0.02 0.03 -0.03 -0.04 7.03 7.01 2gk6B1 ASN 338 HD22 0.03 0.06 -0.01 -0.04 7.74 7.78 2gk6B1 LYS 339 H 0.01 0.39 -0.49 -0.55 8.42 7.78 2gk6B1 LYS 339 HA 0.01 0.08 0.21 -0.75 4.32 3.86 2gk6B1 LYS 339 HB2 0.01 0.26 -0.05 -0.04 1.87 2.05 2gk6B1 LYS 339 HB3 0.01 -0.05 0.12 -0.04 1.79 1.83 2gk6B1 LYS 339 HG2 0.00 -0.01 -0.05 -0.04 1.46 1.36 2gk6B1 LYS 339 HG3 0.00 -0.03 0.01 -0.04 1.46 1.40 2gk6B1 LYS 339 HD2 0.01 0.04 -0.13 -0.04 1.69 1.57 2gk6B1 LYS 339 HD3 0.01 0.06 -0.30 -0.04 1.68 1.41 2gk6B1 LYS 339 HE2 0.00 -0.03 -0.03 -0.04 2.99 2.89 2gk6B1 LYS 339 HE3 0.01 0.02 -0.03 -0.04 2.99 2.95 2gk6B1 LYS 340 H 0.02 -0.01 -0.66 -0.55 8.42 7.22 2gk6B1 LYS 340 HA 0.03 0.08 0.65 -0.75 4.32 4.33 2gk6B1 LYS 340 HB2 0.01 -0.14 0.01 -0.04 1.87 1.71 2gk6B1 LYS 340 HB3 0.01 0.12 -0.08 -0.04 1.79 1.79 2gk6B1 LYS 340 HG2 0.03 0.07 -0.01 -0.04 1.46 1.50 2gk6B1 LYS 340 HG3 0.02 0.03 -0.07 -0.04 1.46 1.41 2gk6B1 LYS 340 HD2 0.04 -0.08 -0.03 -0.04 1.69 1.57 2gk6B1 LYS 340 HD3 0.03 0.04 -0.08 -0.04 1.68 1.64 2gk6B1 LYS 340 HE2 0.05 -0.03 0.01 -0.04 2.99 2.98 2gk6B1 LYS 340 HE3 0.04 0.08 0.04 -0.04 2.99 3.11 2gk6B1 ARG 341 H 0.05 0.12 0.20 -0.55 8.46 8.28 2gk6B1 ARG 341 HA 0.07 0.13 0.60 -0.75 4.34 4.39 2gk6B1 ARG 341 HB2 0.13 -0.11 0.16 -0.04 1.90 2.05 2gk6B1 ARG 341 HB3 0.25 0.06 0.02 -0.04 1.80 2.10 2gk6B1 ARG 341 HG2 0.05 0.07 0.11 -0.04 1.67 1.86 2gk6B1 ARG 341 HG3 0.03 0.03 0.16 -0.04 1.67 1.85 2gk6B1 ARG 341 HD2 -0.08 -0.06 0.04 -0.04 3.22 3.07 2gk6B1 ARG 341 HD3 -0.00 -0.02 0.02 -0.04 3.22 3.18 2gk6B1 ILE 342 H 0.05 0.29 0.18 -0.55 8.25 8.22 2gk6B1 ILE 342 HA -0.13 0.33 1.00 -0.75 4.18 4.63 2gk6B1 ILE 342 HB -0.08 -0.06 -0.06 -0.04 1.89 1.65 2gk6B1 ILE 342 HG12 -0.22 0.06 -0.29 -0.04 1.49 1.00 2gk6B1 ILE 342 HG13 -0.20 -0.03 -0.17 -0.04 1.21 0.77 2gk6B1 ILE 342 HG23 -0.18 -0.02 -0.23 -0.04 0.93 0.45 2gk6B1 ILE 342 HD13 -0.78 -0.04 -0.19 -0.04 0.88 -0.17 2gk6B1 ALA 343 H -0.31 0.57 0.27 -0.55 8.40 8.38 2gk6B1 ALA 343 HA -0.44 0.22 0.82 -0.75 4.34 4.19 2gk6B1 ALA 343 HB3 -0.55 -0.01 -0.10 -0.04 1.41 0.71 2gk6B1 TYR 344 H -0.11 0.60 0.26 -0.55 8.29 8.49 2gk6B1 TYR 344 HA -0.36 0.29 0.92 -0.75 4.56 4.66 2gk6B1 TYR 344 HB2 -0.12 -0.01 0.11 -0.04 3.06 3.00 2gk6B1 TYR 344 HB3 -0.13 -0.00 0.06 -0.04 2.98 2.86 2gk6B1 TYR 344 HD2 -0.09 0.16 -0.13 -0.04 7.15 7.06 2gk6B1 TYR 344 HE2 -0.03 -0.01 -0.17 -0.04 6.85 6.60 2gk6B1 PHE 345 H -0.33 0.49 0.35 -0.55 8.34 8.30 2gk6B1 PHE 345 HA -0.04 0.09 0.38 -0.75 4.62 4.29 2gk6B1 PHE 345 HB2 -0.07 0.01 0.02 -0.04 3.15 3.07 2gk6B1 PHE 345 HB3 -0.17 0.17 0.15 -0.04 3.06 3.18 2gk6B1 PHE 345 HD2 -0.16 0.04 -0.58 -0.04 7.28 6.54 2gk6B1 PHE 345 HE2 -0.14 -0.01 -0.23 -0.04 7.38 6.96 2gk6B1 PHE 345 HZ -0.14 -0.05 -0.25 -0.04 7.32 6.84 2gk6B1 THR 346 H 0.17 0.31 0.18 -0.55 8.28 8.39 2gk6B1 THR 346 HA 0.09 0.20 0.94 -0.75 4.39 4.87 2gk6B1 THR 346 HB 0.05 0.00 0.00 -0.04 4.32 4.34 2gk6B1 THR 346 HG23 0.02 0.05 -0.19 -0.04 1.22 1.07 2gk6B1 LEU 347 H 0.11 0.26 0.16 -0.55 8.37 8.36 2gk6B1 LEU 347 HA 0.11 0.22 0.77 -0.75 4.35 4.69 2gk6B1 LEU 347 HB2 0.17 -0.01 0.12 -0.04 1.64 1.88 2gk6B1 LEU 347 HB3 0.14 0.09 -0.04 -0.04 1.64 1.78 2gk6B1 LEU 347 HG 0.16 0.05 -0.04 -0.04 1.64 1.77 2gk6B1 LEU 347 HD13 0.29 0.01 -0.37 -0.04 0.93 0.81 2gk6B1 LEU 347 HD23 0.38 0.01 -0.08 -0.04 0.89 1.15 2gk6B1 PRO 348 HA 0.04 0.07 0.25 -0.51 4.44 4.29 2gk6B1 PRO 348 HB2 0.04 0.04 0.08 -0.04 2.28 2.40 2gk6B1 PRO 348 HB3 0.03 0.01 0.10 -0.04 2.02 2.12 2gk6B1 PRO 348 HG2 0.04 0.05 0.11 -0.04 2.03 2.18 2gk6B1 PRO 348 HG3 0.03 0.04 0.10 -0.04 2.03 2.16 2gk6B1 PRO 348 HD2 0.07 0.10 0.20 -0.04 3.68 4.01 2gk6B1 PRO 348 HD3 0.05 0.23 0.22 -0.04 3.65 4.12 2gk6B1 LEU 356 HA 0.06 -0.08 0.22 -0.75 4.35 3.80 2gk6B1 LEU 356 HB2 0.04 0.02 0.09 -0.04 1.64 1.76 2gk6B1 LEU 356 HB3 0.06 0.01 -0.02 -0.04 1.64 1.65 2gk6B1 LEU 356 HG 0.13 -0.07 -0.05 -0.04 1.64 1.61 2gk6B1 LEU 356 HD13 0.32 -0.00 -0.00 -0.04 0.93 1.20 2gk6B1 LEU 356 HD23 0.22 0.01 -0.01 -0.04 0.89 1.07 2gk6B1 MET 357 H 0.08 0.20 0.12 -0.55 8.47 8.32 2gk6B1 MET 357 HA 0.03 0.13 0.77 -0.75 4.52 4.70 2gk6B1 MET 357 HB2 0.03 0.10 -0.38 -0.04 2.15 1.86 2gk6B1 MET 357 HB3 0.03 -0.07 -0.07 -0.04 2.03 1.88 2gk6B1 MET 357 HG2 0.01 0.12 -0.04 -0.04 2.63 2.67 2gk6B1 MET 357 HG3 0.01 -0.03 0.12 -0.04 2.56 2.62 2gk6B1 MET 357 HE3 0.01 -0.01 -0.03 -0.04 2.10 2.03 2gk6B1 GLN 358 H 0.02 0.15 0.12 -0.55 8.47 8.21 2gk6B1 GLN 358 HA 0.04 0.02 0.25 -0.75 4.36 3.91 2gk6B1 GLN 358 HB2 0.01 -0.04 0.13 -0.04 2.15 2.21 2gk6B1 GLN 358 HB3 0.02 0.12 -0.01 -0.04 2.02 2.11 2gk6B1 GLN 358 HG2 0.01 0.07 -0.02 -0.04 2.40 2.42 2gk6B1 GLN 358 HG3 0.03 -0.04 -0.14 -0.04 2.39 2.20 2gk6B1 GLN 358 HE21 0.02 0.09 0.00 -0.04 6.97 7.04 2gk6B1 GLN 358 HE22 0.02 -0.09 -0.06 -0.04 7.69 7.51 2gk6B1 GLY 359 H 0.07 0.42 0.20 -0.55 8.43 8.57 2gk6B1 GLY 359 HA2 -0.07 0.11 0.37 -0.51 4.01 3.91 2gk6B1 GLY 359 HA3 -0.04 0.08 0.67 -0.51 4.01 4.21 2gk6B1 ASP 360 H 0.05 0.38 -0.37 -0.55 8.40 7.91 2gk6B1 ASP 360 HA 0.05 -0.04 0.43 -0.75 4.63 4.31 2gk6B1 ASP 360 HB2 0.11 0.06 0.16 -0.04 2.71 3.00 2gk6B1 ASP 360 HB3 0.14 0.06 0.01 -0.04 2.70 2.87 2gk6B1 GLU 361 H 0.07 0.10 0.26 -0.55 8.60 8.48 2gk6B1 GLU 361 HA 0.08 0.24 0.99 -0.75 4.29 4.85 2gk6B1 GLU 361 HB2 0.05 -0.05 0.18 -0.04 2.09 2.23 2gk6B1 GLU 361 HB3 0.04 0.03 0.05 -0.04 1.99 2.07 2gk6B1 GLU 361 HG2 0.08 0.06 -0.05 -0.04 2.34 2.38 2gk6B1 GLU 361 HG3 0.04 0.02 0.03 -0.04 2.34 2.39 2gk6B1 ILE 362 H 0.03 0.56 0.42 -0.55 8.25 8.72 2gk6B1 ILE 362 HA -0.07 0.17 0.96 -0.75 4.18 4.49 2gk6B1 ILE 362 HB 0.00 -0.01 0.01 -0.04 1.89 1.85 2gk6B1 ILE 362 HG12 -0.63 0.03 -0.10 -0.04 1.49 0.75 2gk6B1 ILE 362 HG13 0.02 -0.03 -0.30 -0.04 1.21 0.86 2gk6B1 ILE 362 HG23 -0.16 -0.02 -0.26 -0.04 0.93 0.46 2gk6B1 ILE 362 HD13 0.05 0.00 -0.15 -0.04 0.88 0.74 2gk6B1 CYS 363 H -0.10 0.81 0.33 -0.55 8.50 8.99 2gk6B1 CYS 363 HA -0.06 0.17 1.08 -0.75 4.58 5.01 2gk6B1 CYS 363 HB2 -0.04 -0.05 -0.04 -0.04 2.97 2.81 2gk6B1 CYS 363 HB3 -0.05 -0.01 0.14 -0.04 2.97 3.01 2gk6B1 LEU 364 H -0.05 0.47 0.26 -0.55 8.37 8.51 2gk6B1 LEU 364 HA -0.03 0.26 0.87 -0.75 4.35 4.70 2gk6B1 LEU 364 HB2 0.12 0.01 0.06 -0.04 1.64 1.79 2gk6B1 LEU 364 HB3 0.43 -0.04 -0.12 -0.04 1.64 1.87 2gk6B1 LEU 364 HG -0.21 -0.03 -0.17 -0.04 1.64 1.20 2gk6B1 LEU 364 HD13 -0.18 -0.01 -0.19 -0.04 0.93 0.51 2gk6B1 LEU 364 HD23 -0.11 0.05 -0.17 -0.04 0.89 0.63 2gk6B1 ARG 365 H 0.11 0.61 0.38 -0.55 8.46 9.01 2gk6B1 ARG 365 HA -0.00 0.27 1.05 -0.75 4.34 4.91 2gk6B1 ARG 365 HB2 0.01 -0.07 0.03 -0.04 1.90 1.82 2gk6B1 ARG 365 HB3 -0.02 0.03 -0.01 -0.04 1.80 1.76 2gk6B1 ARG 365 HG2 -0.09 -0.03 -0.19 -0.04 1.67 1.32 2gk6B1 ARG 365 HG3 -0.05 0.08 -0.30 -0.04 1.67 1.37 2gk6B1 ARG 365 HD2 -0.03 0.00 -0.11 -0.04 3.22 3.05 2gk6B1 ARG 365 HD3 -0.04 -0.00 -0.09 -0.04 3.22 3.05 2gk6B1 TYR 366 H 0.32 0.61 0.28 -0.55 8.29 8.95 2gk6B1 TYR 366 HA -0.39 0.17 0.99 -0.75 4.56 4.57 2gk6B1 TYR 366 HB2 -0.14 0.07 0.01 -0.04 3.06 2.96 2gk6B1 TYR 366 HB3 0.17 -0.18 0.27 -0.04 2.98 3.20 2gk6B1 TYR 366 HD2 -0.62 -0.04 -0.03 -0.04 7.15 6.42 2gk6B1 TYR 366 HE2 -0.09 -0.05 -0.04 -0.04 6.85 6.63 2gk6B1 LYS 367 H -0.37 0.52 0.20 -0.55 8.42 8.22 2gk6B1 LYS 367 HA -0.31 0.18 0.91 -0.75 4.32 4.34 2gk6B1 LYS 367 HB2 -0.15 0.00 0.18 -0.04 1.87 1.87 2gk6B1 LYS 367 HB3 -0.14 0.01 0.11 -0.04 1.79 1.73 2gk6B1 LYS 367 HG2 -0.09 0.06 -0.09 -0.04 1.46 1.30 2gk6B1 LYS 367 HG3 -0.08 -0.08 -0.40 -0.04 1.46 0.86 2gk6B1 LYS 367 HD2 -0.06 -0.02 -0.04 -0.04 1.69 1.54 2gk6B1 LYS 367 HD3 -0.05 0.01 -0.04 -0.04 1.68 1.56 2gk6B1 LYS 367 HE2 -0.03 -0.02 -0.13 -0.04 2.99 2.77 2gk6B1 LYS 367 HE3 -0.03 0.01 -0.07 -0.04 2.99 2.86 2gk6B1 GLY 368 H -1.02 0.21 -0.01 -0.55 8.43 7.06 2gk6B1 GLY 368 HA2 -0.26 0.22 0.89 -0.51 4.01 4.35 2gk6B1 GLY 368 HA3 -0.54 -0.10 0.34 -0.51 4.01 3.19 2gk6B1 ASP 369 H -0.01 0.10 0.17 -0.55 8.40 8.12 2gk6B1 ASP 369 HA -0.02 0.13 0.23 -0.75 4.63 4.22 2gk6B1 ASP 369 HB2 0.03 -0.03 0.07 -0.04 2.71 2.74 2gk6B1 ASP 369 HB3 0.01 0.04 0.09 -0.04 2.70 2.80 2gk6B1 LEU 370 H 0.15 -0.11 -0.26 -0.55 8.37 7.61 2gk6B1 LEU 370 HA 0.06 0.13 0.41 -0.75 4.35 4.19 2gk6B1 LEU 370 HB2 0.19 -0.06 0.02 -0.04 1.64 1.76 2gk6B1 LEU 370 HB3 0.06 -0.03 0.10 -0.04 1.64 1.73 2gk6B1 LEU 370 HG 0.04 0.04 0.01 -0.04 1.64 1.68 2gk6B1 LEU 370 HD13 0.03 0.02 -0.07 -0.04 0.93 0.87 2gk6B1 LEU 370 HD23 0.12 -0.04 0.02 -0.04 0.89 0.96 2gk6B1 ALA 371 H 0.04 0.06 0.11 -0.55 8.40 8.06 2gk6B1 ALA 371 HA 0.05 0.19 0.29 -0.75 4.34 4.12 2gk6B1 ALA 371 HB3 0.02 -0.00 0.11 -0.04 1.41 1.50 2gk6B1 PRO 372 HA 0.08 0.16 0.72 -0.51 4.44 4.89 2gk6B1 PRO 372 HB2 0.20 -0.09 0.12 -0.04 2.28 2.47 2gk6B1 PRO 372 HB3 -0.03 0.08 0.05 -0.04 2.02 2.07 2gk6B1 PRO 372 HG2 -0.23 -0.05 -0.01 -0.04 2.03 1.71 2gk6B1 PRO 372 HG3 -0.10 0.05 -0.01 -0.04 2.03 1.93 2gk6B1 PRO 372 HD2 0.25 0.13 -0.55 -0.04 3.68 3.46 2gk6B1 PRO 372 HD3 0.04 -0.07 -0.12 -0.04 3.65 3.46 2gk6B1 LEU 373 H 0.41 0.03 -0.00 -0.55 8.37 8.26 2gk6B1 LEU 373 HA 0.18 0.18 0.46 -0.75 4.35 4.42 2gk6B1 LEU 373 HB2 0.08 0.13 0.20 -0.04 1.64 2.00 2gk6B1 LEU 373 HB3 0.05 -0.04 0.16 -0.04 1.64 1.76 2gk6B1 LEU 373 HG 0.04 0.10 -0.06 -0.04 1.64 1.68 2gk6B1 LEU 373 HD13 -0.01 -0.02 0.01 -0.04 0.93 0.87 2gk6B1 LEU 373 HD23 -0.15 0.01 0.15 -0.04 0.89 0.86 2gk6B1 TRP 374 H 0.47 0.09 0.19 -0.55 7.97 8.17 2gk6B1 TRP 374 HA 0.06 0.20 0.76 -0.75 4.62 4.88 2gk6B1 TRP 374 HB2 0.06 0.12 -0.16 -0.04 3.23 3.20 2gk6B1 TRP 374 HB3 0.11 -0.14 0.01 -0.04 3.23 3.17 2gk6B1 TRP 374 HD1 0.03 -0.02 -0.05 -0.04 7.22 7.15 2gk6B1 TRP 374 HE1 0.05 -0.13 -0.16 -0.04 10.20 9.92 2gk6B1 TRP 374 HE3 0.32 -0.14 -0.16 -0.04 7.59 7.56 2gk6B1 TRP 374 HZ2 0.15 -0.03 -0.12 -0.04 7.44 7.40 2gk6B1 TRP 374 HZ3 0.51 -0.05 -0.29 -0.04 7.13 7.26 2gk6B1 TRP 374 HH2 0.30 -0.01 -0.18 -0.04 7.19 7.26 2gk6B1 LYS 375 H -0.46 0.20 0.21 -0.55 8.42 7.83 2gk6B1 LYS 375 HA -0.60 0.24 1.01 -0.75 4.32 4.22 2gk6B1 LYS 375 HB2 -0.21 0.01 0.01 -0.04 1.87 1.64 2gk6B1 LYS 375 HB3 -0.30 -0.02 0.08 -0.04 1.79 1.51 2gk6B1 LYS 375 HG2 -0.30 -0.03 -0.17 -0.04 1.46 0.92 2gk6B1 LYS 375 HG3 -0.23 0.05 -0.02 -0.04 1.46 1.21 2gk6B1 LYS 375 HD2 -0.10 -0.01 -0.08 -0.04 1.69 1.46 2gk6B1 LYS 375 HD3 -0.11 0.01 -0.05 -0.04 1.68 1.49 2gk6B1 LYS 375 HE2 -0.12 0.01 -0.04 -0.04 2.99 2.79 2gk6B1 LYS 375 HE3 -0.12 -0.04 -0.09 -0.04 2.99 2.71 2gk6B1 GLY 376 H -0.68 0.50 0.22 -0.55 8.43 7.92 2gk6B1 GLY 376 HA2 -0.35 0.03 0.67 -0.51 4.01 3.85 2gk6B1 GLY 376 HA3 -0.65 0.03 0.25 -0.51 4.01 3.13 2gk6B1 ILE 377 H -0.04 0.16 0.22 -0.55 8.25 8.04 2gk6B1 ILE 377 HA -0.03 0.25 1.08 -0.75 4.18 4.73 2gk6B1 ILE 377 HB -0.01 -0.04 0.15 -0.04 1.89 1.95 2gk6B1 ILE 377 HG12 -0.03 0.06 -0.02 -0.04 1.49 1.46 2gk6B1 ILE 377 HG13 -0.08 -0.08 -0.20 -0.04 1.21 0.81 2gk6B1 ILE 377 HG23 0.02 0.01 -0.07 -0.04 0.93 0.85 2gk6B1 ILE 377 HD13 -0.02 0.00 -0.04 -0.04 0.88 0.78 2gk6B1 GLY 378 H 0.02 0.64 0.41 -0.55 8.43 8.95 2gk6B1 GLY 378 HA2 0.01 -0.00 0.62 -0.51 4.01 4.13 2gk6B1 GLY 378 HA3 -0.01 0.04 0.15 -0.51 4.01 3.68 2gk6B1 HIS 379 H -0.28 0.44 0.31 -0.55 8.41 8.32 2gk6B1 HIS 379 HA 0.01 0.23 1.07 -0.75 4.63 5.18 2gk6B1 HIS 379 HB2 0.00 0.17 0.07 -0.04 3.26 3.46 2gk6B1 HIS 379 HB3 0.00 -0.09 0.03 -0.04 3.20 3.10 2gk6B1 HIS 379 HD2 0.00 -0.06 0.07 -0.04 6.97 6.94 2gk6B1 HIS 379 HE1 -0.01 -0.02 -0.02 -0.04 7.75 7.66 2gk6B1 VAL 380 H 0.13 0.67 0.20 -0.55 8.24 8.69 2gk6B1 VAL 380 HA 0.00 0.20 0.52 -0.75 4.13 4.10 2gk6B1 VAL 380 HB 0.08 -0.08 0.17 -0.04 2.12 2.25 2gk6B1 VAL 380 HG13 0.03 0.00 -0.14 -0.04 0.97 0.83 2gk6B1 VAL 380 HG23 0.09 0.05 -0.02 -0.04 0.95 1.03 2gk6B1 ILE 381 H -0.03 0.57 0.38 -0.55 8.25 8.62 2gk6B1 ILE 381 HA 0.06 0.08 0.61 -0.75 4.18 4.17 2gk6B1 ILE 381 HB -0.01 0.06 -0.23 -0.04 1.89 1.67 2gk6B1 ILE 381 HG12 0.04 -0.04 -0.00 -0.04 1.49 1.44 2gk6B1 ILE 381 HG13 0.03 -0.02 0.14 -0.04 1.21 1.32 2gk6B1 ILE 381 HG23 -0.09 -0.01 -0.24 -0.04 0.93 0.55 2gk6B1 ILE 381 HD13 0.18 0.01 0.07 -0.04 0.88 1.09 2gk6B1 LYS 382 H -0.01 0.15 0.17 -0.55 8.42 8.17 2gk6B1 LYS 382 HA 0.02 0.05 0.38 -0.75 4.32 4.01 2gk6B1 LYS 382 HB2 0.03 0.17 -0.01 -0.04 1.87 2.01 2gk6B1 LYS 382 HB3 0.02 -0.11 -0.09 -0.04 1.79 1.56 2gk6B1 LYS 382 HG2 0.06 0.01 0.03 -0.04 1.46 1.52 2gk6B1 LYS 382 HG3 0.08 -0.04 -0.06 -0.04 1.46 1.40 2gk6B1 LYS 382 HD2 0.12 -0.13 -0.42 -0.04 1.69 1.22 2gk6B1 LYS 382 HD3 0.06 0.11 -0.68 -0.04 1.68 1.13 2gk6B1 LYS 382 HE2 0.23 -0.04 -0.07 -0.04 2.99 3.07 2gk6B1 LYS 382 HE3 0.40 -0.11 -0.17 -0.04 2.99 3.07 2gk6B1 VAL 383 H 0.03 0.15 0.11 -0.55 8.24 7.98 2gk6B1 VAL 383 HA 0.02 0.18 0.95 -0.75 4.13 4.53 2gk6B1 VAL 383 HB 0.04 0.16 0.05 -0.04 2.12 2.32 2gk6B1 VAL 383 HG13 0.04 -0.03 -0.27 -0.04 0.97 0.67 2gk6B1 VAL 383 HG23 0.02 0.01 -0.09 -0.04 0.95 0.86 2gk6B1 PRO 384 HA 0.03 0.23 0.58 -0.51 4.44 4.76 2gk6B1 PRO 384 HB2 0.03 -0.06 0.09 -0.04 2.28 2.30 2gk6B1 PRO 384 HB3 0.01 -0.05 0.15 -0.04 2.02 2.10 2gk6B1 PRO 384 HG2 0.05 -0.02 0.11 -0.04 2.03 2.12 2gk6B1 PRO 384 HG3 0.03 0.20 -0.13 -0.04 2.03 2.09 2gk6B1 PRO 384 HD2 0.04 0.06 0.20 -0.04 3.68 3.94 2gk6B1 PRO 384 HD3 0.04 0.05 0.23 -0.04 3.65 3.93 2gk6B1 ASP 385 H 0.03 0.36 0.29 -0.55 8.40 8.53 2gk6B1 ASP 385 HA 0.03 0.14 0.61 -0.75 4.63 4.65 2gk6B1 ASP 385 HB2 0.04 -0.12 0.24 -0.04 2.71 2.83 2gk6B1 ASP 385 HB3 0.04 0.13 -0.14 -0.04 2.70 2.68 2gk6B1 ASN 386 H 0.05 0.19 0.18 -0.55 8.53 8.40 2gk6B1 ASN 386 HA 0.02 0.07 0.46 -0.75 4.76 4.56 2gk6B1 ASN 386 HB2 0.06 0.00 0.23 -0.04 2.88 3.12 2gk6B1 ASN 386 HB3 0.06 0.02 0.08 -0.04 2.79 2.90 2gk6B1 ASN 386 HD21 0.05 -0.01 0.06 -0.04 7.03 7.09 2gk6B1 ASN 386 HD22 0.05 -0.06 0.05 -0.04 7.74 7.75 2gk6B1 TYR 387 H 0.16 0.01 -0.13 -0.55 8.29 7.77 2gk6B1 TYR 387 HA -0.00 0.10 0.50 -0.75 4.56 4.40 2gk6B1 TYR 387 HB2 -0.00 0.01 0.07 -0.04 3.06 3.10 2gk6B1 TYR 387 HB3 -0.00 -0.03 0.11 -0.04 2.98 3.01 2gk6B1 TYR 387 HD2 -0.01 0.02 -0.03 -0.04 7.15 7.09 2gk6B1 TYR 387 HE2 -0.04 -0.01 -0.10 -0.04 6.85 6.66 2gk6B1 GLY 388 H -0.08 0.13 -0.03 -0.55 8.43 7.90 2gk6B1 GLY 388 HA2 -0.23 0.15 0.38 -0.51 4.01 3.79 2gk6B1 GLY 388 HA3 -0.55 -0.01 0.33 -0.51 4.01 3.26 2gk6B1 ASP 389 H -0.11 0.16 0.12 -0.55 8.40 8.02 2gk6B1 ASP 389 HA -0.02 0.14 0.59 -0.75 4.63 4.58 2gk6B1 ASP 389 HB2 -0.02 -0.03 0.07 -0.04 2.71 2.69 2gk6B1 ASP 389 HB3 0.01 0.04 0.19 -0.04 2.70 2.90 2gk6B1 GLU 390 H -0.10 -0.06 -0.51 -0.55 8.60 7.39 2gk6B1 GLU 390 HA -0.03 0.13 0.45 -0.75 4.29 4.09 2gk6B1 GLU 390 HB2 -0.05 -0.04 -0.06 -0.04 2.09 1.90 2gk6B1 GLU 390 HB3 -0.05 -0.05 -0.08 -0.04 1.99 1.76 2gk6B1 GLU 390 HG2 0.08 0.03 -0.41 -0.04 2.34 1.99 2gk6B1 GLU 390 HG3 -0.01 -0.03 0.04 -0.04 2.34 2.30 2gk6B1 ILE 391 H -0.22 0.74 0.44 -0.55 8.25 8.65 2gk6B1 ILE 391 HA -0.10 0.24 0.78 -0.75 4.18 4.34 2gk6B1 ILE 391 HB -0.62 -0.00 0.03 -0.04 1.89 1.25 2gk6B1 ILE 391 HG12 0.03 0.03 0.00 -0.04 1.49 1.51 2gk6B1 ILE 391 HG13 -0.00 0.04 -0.15 -0.04 1.21 1.06 2gk6B1 ILE 391 HG23 -0.12 -0.01 -0.02 -0.04 0.93 0.75 2gk6B1 ILE 391 HD13 0.24 -0.02 -0.04 -0.04 0.88 1.02 2gk6B1 ALA 392 H -0.19 0.41 0.26 -0.55 8.40 8.33 2gk6B1 ALA 392 HA -0.51 0.31 0.87 -0.75 4.34 4.25 2gk6B1 ALA 392 HB3 -0.23 -0.01 -0.19 -0.04 1.41 0.94 2gk6B1 ILE 393 H -0.32 0.49 0.21 -0.55 8.25 8.08 2gk6B1 ILE 393 HA -0.14 0.26 0.82 -0.75 4.18 4.36 2gk6B1 ILE 393 HB -0.04 -0.02 -0.35 -0.04 1.89 1.44 2gk6B1 ILE 393 HG12 0.09 0.17 -0.04 -0.04 1.49 1.67 2gk6B1 ILE 393 HG13 -0.05 -0.09 -0.16 -0.04 1.21 0.87 2gk6B1 ILE 393 HG23 0.02 -0.02 -0.40 -0.04 0.93 0.49 2gk6B1 ILE 393 HD13 0.09 -0.01 -0.23 -0.04 0.88 0.69 2gk6B1 GLU 394 H -0.31 0.61 0.20 -0.55 8.60 8.55 2gk6B1 GLU 394 HA -0.13 0.26 0.93 -0.75 4.29 4.60 2gk6B1 GLU 394 HB2 -0.20 -0.04 -0.07 -0.04 2.09 1.74 2gk6B1 GLU 394 HB3 -0.58 0.00 0.12 -0.04 1.99 1.50 2gk6B1 GLU 394 HG2 -0.09 0.12 -0.31 -0.04 2.34 2.02 2gk6B1 GLU 394 HG3 -0.07 -0.01 -0.20 -0.04 2.34 2.02 2gk6B1 LEU 395 H 0.01 0.73 0.19 -0.55 8.37 8.76 2gk6B1 LEU 395 HA 0.05 0.06 0.55 -0.75 4.35 4.25 2gk6B1 LEU 395 HB2 0.14 -0.07 0.03 -0.04 1.64 1.70 2gk6B1 LEU 395 HB3 0.21 0.00 -0.11 -0.04 1.64 1.70 2gk6B1 LEU 395 HG 0.23 0.10 -0.15 -0.04 1.64 1.78 2gk6B1 LEU 395 HD13 0.59 -0.01 -0.14 -0.04 0.93 1.33 2gk6B1 LEU 395 HD23 0.18 -0.02 -0.39 -0.04 0.89 0.62 2gk6B1 ARG 396 H 0.05 0.39 0.40 -0.55 8.46 8.75 2gk6B1 ARG 396 HA 0.05 0.07 0.40 -0.75 4.34 4.11 2gk6B1 ARG 396 HB2 0.05 0.00 0.10 -0.04 1.90 2.02 2gk6B1 ARG 396 HB3 0.06 -0.01 0.15 -0.04 1.80 1.95 2gk6B1 ARG 396 HG2 0.06 0.02 0.20 -0.04 1.67 1.90 2gk6B1 ARG 396 HG3 0.05 0.01 -0.11 -0.04 1.67 1.57 2gk6B1 ARG 396 HD2 0.04 -0.01 -0.01 -0.04 3.22 3.19 2gk6B1 ARG 396 HD3 0.02 -0.06 0.05 -0.04 3.22 3.20 2gk6B1 SER 397 H 0.10 0.16 -0.15 -0.55 8.46 8.02 2gk6B1 SER 397 HA 0.06 0.18 0.80 -0.75 4.49 4.78 2gk6B1 SER 397 HB2 0.05 0.08 -0.08 -0.04 3.95 3.96 2gk6B1 SER 397 HB3 0.08 -0.04 0.16 -0.04 3.93 4.10 2gk6B1 SER 398 H 0.06 0.26 0.06 -0.55 8.46 8.30 2gk6B1 SER 398 HA 0.14 0.15 0.57 -0.75 4.49 4.59 2gk6B1 SER 398 HB2 0.03 0.15 0.21 -0.04 3.95 4.30 2gk6B1 SER 398 HB3 0.05 0.01 0.22 -0.04 3.93 4.17 2gk6B1 VAL 399 H 0.08 0.13 -0.31 -0.55 8.24 7.60 2gk6B1 VAL 399 HA -0.00 0.15 0.41 -0.75 4.13 3.94 2gk6B1 VAL 399 HB 0.03 0.00 0.07 -0.04 2.12 2.18 2gk6B1 VAL 399 HG13 0.08 -0.00 0.04 -0.04 0.97 1.04 2gk6B1 VAL 399 HG23 0.01 0.02 -0.07 -0.04 0.95 0.87 2gk6B1 GLY 400 H 0.12 0.09 -0.02 -0.55 8.43 8.08 2gk6B1 GLY 400 HA2 -0.07 0.21 0.59 -0.51 4.01 4.23 2gk6B1 GLY 400 HA3 0.07 0.00 0.30 -0.51 4.01 3.87 2gk6B1 ALA 401 H -0.21 0.17 -0.50 -0.55 8.40 7.32 2gk6B1 ALA 401 HA -1.58 0.09 0.24 -0.75 4.34 2.34 2gk6B1 ALA 401 HB3 -0.51 0.02 -0.05 -0.04 1.41 0.83 2gk6B1 PRO 402 HA -0.56 0.08 0.72 -0.51 4.44 4.18 2gk6B1 PRO 402 HB2 -0.33 -0.00 0.18 -0.04 2.28 2.09 2gk6B1 PRO 402 HB3 -0.42 -0.02 0.11 -0.04 2.02 1.66 2gk6B1 PRO 402 HG2 -0.12 -0.02 0.03 -0.04 2.03 1.88 2gk6B1 PRO 402 HG3 -0.40 0.10 0.04 -0.04 2.03 1.72 2gk6B1 PRO 402 HD2 -1.31 0.10 0.02 -0.04 3.68 2.45 2gk6B1 PRO 402 HD3 -2.88 0.16 0.10 -0.04 3.65 1.00 2gk6B1 VAL 403 H -0.79 0.43 -0.11 -0.55 8.24 7.23 2gk6B1 VAL 403 HA -2.22 0.11 0.45 -0.75 4.13 1.72 2gk6B1 VAL 403 HB -0.41 -0.00 -0.04 -0.04 2.12 1.63 2gk6B1 VAL 403 HG13 -0.21 -0.00 -0.02 -0.04 0.97 0.70 2gk6B1 VAL 403 HG23 -0.58 0.05 -0.05 -0.04 0.95 0.33 2gk6B1 GLU 404 H -0.41 0.00 -0.13 -0.55 8.60 7.52 2gk6B1 GLU 404 HA -0.15 0.08 0.44 -0.75 4.29 3.90 2gk6B1 GLU 404 HB2 -0.13 -0.01 -0.09 -0.04 2.09 1.82 2gk6B1 GLU 404 HB3 -0.15 0.03 0.06 -0.04 1.99 1.90 2gk6B1 GLU 404 HG2 -0.29 0.03 0.10 -0.04 2.34 2.14 2gk6B1 GLU 404 HG3 -0.30 -0.14 0.02 -0.04 2.34 1.88 2gk6B1 VAL 405 H -0.22 0.05 -0.24 -0.55 8.24 7.27 2gk6B1 VAL 405 HA 0.03 0.16 0.64 -0.75 4.13 4.21 2gk6B1 VAL 405 HB -0.02 -0.17 0.11 -0.04 2.12 2.00 2gk6B1 VAL 405 HG13 -0.18 -0.01 -0.05 -0.04 0.97 0.69 2gk6B1 VAL 405 HG23 -0.70 0.01 -0.12 -0.04 0.95 0.09 2gk6B1 THR 406 H 0.29 -0.01 0.13 -0.55 8.28 8.14 2gk6B1 THR 406 HA 0.60 0.10 0.53 -0.75 4.39 4.87 2gk6B1 THR 406 HB 0.40 0.23 -0.32 -0.04 4.32 4.60 2gk6B1 THR 406 HG23 0.21 -0.01 -0.06 -0.04 1.22 1.31 2gk6B1 HIS 407 H 0.52 -0.07 0.13 -0.55 8.41 8.45 2gk6B1 HIS 407 HA 0.21 0.29 1.14 -0.75 4.63 5.52 2gk6B1 HIS 407 HB2 0.16 -0.10 -0.06 -0.04 3.26 3.22 2gk6B1 HIS 407 HB3 0.15 -0.00 -0.01 -0.04 3.20 3.29 2gk6B1 HIS 407 HD2 0.07 -0.02 -0.04 -0.04 6.97 6.94 2gk6B1 HIS 407 HE1 0.06 0.01 0.03 -0.04 7.75 7.81 2gk6B1 ASN 408 H 0.34 -0.05 0.07 -0.55 8.53 8.34 2gk6B1 ASN 408 HA 0.09 0.26 0.94 -0.75 4.76 5.29 2gk6B1 ASN 408 HB2 -0.00 -0.15 0.14 -0.04 2.88 2.82 2gk6B1 ASN 408 HB3 -0.09 0.20 0.17 -0.04 2.79 3.03 2gk6B1 ASN 408 HD21 0.07 0.03 0.03 -0.04 7.03 7.12 2gk6B1 ASN 408 HD22 -0.00 -0.05 0.13 -0.04 7.74 7.77 2gk6B1 PHE 409 H 0.30 0.58 0.01 -0.55 8.34 8.67 2gk6B1 PHE 409 HA 0.14 0.18 1.00 -0.75 4.62 5.19 2gk6B1 PHE 409 HB2 -0.01 0.23 -0.09 -0.04 3.15 3.25 2gk6B1 PHE 409 HB3 -0.01 0.05 -0.11 -0.04 3.06 2.94 2gk6B1 PHE 409 HD2 0.25 0.06 -0.30 -0.04 7.28 7.24 2gk6B1 PHE 409 HE2 0.45 -0.08 -0.25 -0.04 7.38 7.46 2gk6B1 PHE 409 HZ 0.32 0.18 -0.14 -0.04 7.32 7.65 2gk6B1 GLN 410 H 0.14 0.66 0.42 -0.55 8.47 9.14 2gk6B1 GLN 410 HA -0.00 0.27 1.05 -0.75 4.36 4.93 2gk6B1 GLN 410 HB2 -0.00 -0.08 0.04 -0.04 2.15 2.06 2gk6B1 GLN 410 HB3 -0.00 -0.07 0.10 -0.04 2.02 2.02 2gk6B1 GLN 410 HG2 -0.02 0.09 -0.11 -0.04 2.40 2.32 2gk6B1 GLN 410 HG3 -0.01 0.04 -0.03 -0.04 2.39 2.35 2gk6B1 GLN 410 HE21 -0.02 -0.02 -0.06 -0.04 6.97 6.83 2gk6B1 GLN 410 HE22 -0.01 -0.04 -0.06 -0.04 7.69 7.53 2gk6B1 VAL 411 H -0.08 0.56 0.29 -0.55 8.24 8.47 2gk6B1 VAL 411 HA -0.22 0.16 0.89 -0.75 4.13 4.21 2gk6B1 VAL 411 HB -0.19 0.02 0.08 -0.04 2.12 1.99 2gk6B1 VAL 411 HG13 -0.45 -0.01 -0.21 -0.04 0.97 0.26 2gk6B1 VAL 411 HG23 -0.51 0.01 -0.24 -0.04 0.95 0.17 2gk6B1 ASP 412 H -0.18 0.40 0.22 -0.55 8.40 8.29 2gk6B1 ASP 412 HA -0.00 0.18 0.88 -0.75 4.63 4.94 2gk6B1 ASP 412 HB2 -0.04 0.03 0.12 -0.04 2.71 2.77 2gk6B1 ASP 412 HB3 0.02 0.01 -0.08 -0.04 2.70 2.61 2gk6B1 PHE 413 H 0.31 0.29 0.06 -0.55 8.34 8.45 2gk6B1 PHE 413 HA 0.07 0.09 0.85 -0.75 4.62 4.88 2gk6B1 PHE 413 HB2 0.08 0.13 0.19 -0.04 3.15 3.50 2gk6B1 PHE 413 HB3 0.09 0.00 0.04 -0.04 3.06 3.15 2gk6B1 PHE 413 HD2 0.06 -0.00 -0.09 -0.04 7.28 7.21 2gk6B1 PHE 413 HE2 0.07 0.15 -0.07 -0.04 7.38 7.50 2gk6B1 PHE 413 HZ 0.10 0.00 -0.14 -0.04 7.32 7.25 2gk6B1 VAL 414 H 0.13 0.52 0.27 -0.55 8.24 8.61 2gk6B1 VAL 414 HA 0.15 0.02 0.35 -0.75 4.13 3.89 2gk6B1 VAL 414 HB 0.07 0.04 0.07 -0.04 2.12 2.26 2gk6B1 VAL 414 HG13 0.06 -0.02 -0.21 -0.04 0.97 0.76 2gk6B1 VAL 414 HG23 0.03 0.00 -0.18 -0.04 0.95 0.76 2gk6B1 TRP 415 H 0.32 0.14 0.18 -0.55 7.97 8.07 2gk6B1 TRP 415 HA 0.09 0.11 0.61 -0.75 4.62 4.69 2gk6B1 TRP 415 HB2 0.06 0.12 0.08 -0.04 3.23 3.45 2gk6B1 TRP 415 HB3 0.05 -0.03 0.14 -0.04 3.23 3.35 2gk6B1 TRP 415 HD1 0.12 0.06 -0.09 -0.04 7.22 7.27 2gk6B1 TRP 415 HE1 0.18 -0.02 -0.04 -0.04 10.20 10.28 2gk6B1 TRP 415 HE3 0.04 0.02 -0.09 -0.04 7.59 7.52 2gk6B1 TRP 415 HZ2 -0.14 -0.03 -0.02 -0.04 7.44 7.21 2gk6B1 TRP 415 HZ3 0.03 0.01 -0.06 -0.04 7.13 7.08 2gk6B1 TRP 415 HH2 0.02 -0.01 -0.06 -0.04 7.19 7.11 2gk6B1 LYS 416 H -0.45 0.23 0.22 -0.55 8.42 7.86 2gk6B1 LYS 416 HA -0.48 0.18 1.00 -0.75 4.32 4.27 2gk6B1 LYS 416 HB2 -0.19 0.09 0.12 -0.04 1.87 1.85 2gk6B1 LYS 416 HB3 -0.26 -0.16 0.04 -0.04 1.79 1.37 2gk6B1 LYS 416 HG2 -0.11 0.12 -0.16 -0.04 1.46 1.27 2gk6B1 LYS 416 HG3 -0.10 0.02 -0.01 -0.04 1.46 1.34 2gk6B1 LYS 416 HD2 -0.09 0.05 0.03 -0.04 1.69 1.64 2gk6B1 LYS 416 HD3 -0.17 -0.23 0.09 -0.04 1.68 1.33 2gk6B1 LYS 416 HE2 -0.13 0.21 0.13 -0.04 2.99 3.16 2gk6B1 LYS 416 HE3 -0.06 0.06 0.04 -0.04 2.99 2.98 2gk6B1 SER 417 H -0.58 0.24 0.17 -0.55 8.46 7.74 2gk6B1 SER 417 HA -0.46 0.17 0.62 -0.75 4.49 4.07 2gk6B1 SER 417 HB2 0.02 -0.00 0.08 -0.04 3.95 4.01 2gk6B1 SER 417 HB3 -0.58 0.09 0.04 -0.04 3.93 3.43 2gk6B1 THR 418 H -0.24 0.08 -0.11 -0.55 8.28 7.46 2gk6B1 THR 418 HA -0.08 0.10 0.25 -0.75 4.39 3.90 2gk6B1 THR 418 HB -0.16 -0.06 0.05 -0.04 4.32 4.11 2gk6B1 THR 418 HG23 -0.08 0.03 -0.16 -0.04 1.22 0.97 2gk6B1 SER 419 H -0.26 0.12 -0.17 -0.55 8.46 7.60 2gk6B1 SER 419 HA -0.16 0.11 0.40 -0.75 4.49 4.09 2gk6B1 SER 419 HB2 -0.31 0.02 0.05 -0.04 3.95 3.67 2gk6B1 SER 419 HB3 -0.26 -0.00 0.08 -0.04 3.93 3.71 2gk6B1 PHE 420 H -0.39 0.14 -0.13 -0.55 8.34 7.41 2gk6B1 PHE 420 HA 0.05 0.02 0.43 -0.75 4.62 4.36 2gk6B1 PHE 420 HB2 0.10 0.09 0.14 -0.04 3.15 3.44 2gk6B1 PHE 420 HB3 0.12 0.01 0.04 -0.04 3.06 3.19 2gk6B1 PHE 420 HD2 0.07 0.01 0.09 -0.04 7.28 7.40 2gk6B1 PHE 420 HE2 0.21 0.04 -0.00 -0.04 7.38 7.59 2gk6B1 PHE 420 HZ 0.21 0.02 0.02 -0.04 7.32 7.52 2gk6B1 ASP 421 H 0.11 0.63 -0.08 -0.55 8.40 8.51 2gk6B1 ASP 421 HA 0.10 0.01 0.37 -0.75 4.63 4.36 2gk6B1 ASP 421 HB2 0.01 0.10 0.01 -0.04 2.71 2.79 2gk6B1 ASP 421 HB3 0.04 0.02 -0.04 -0.04 2.70 2.68 2gk6B1 ARG 422 H -0.00 0.43 -0.26 -0.55 8.46 8.08 2gk6B1 ARG 422 HA 0.01 0.08 0.49 -0.75 4.34 4.17 2gk6B1 ARG 422 HB2 -0.04 0.06 0.20 -0.04 1.90 2.08 2gk6B1 ARG 422 HB3 -0.02 0.02 0.04 -0.04 1.80 1.79 2gk6B1 ARG 422 HG2 -0.01 0.07 0.02 -0.04 1.67 1.72 2gk6B1 ARG 422 HG3 -0.02 -0.03 0.02 -0.04 1.67 1.59 2gk6B1 ARG 422 HD2 -0.06 -0.11 -0.09 -0.04 3.22 2.93 2gk6B1 ARG 422 HD3 -0.03 0.08 -0.02 -0.04 3.22 3.20 2gk6B1 MET 423 H 0.02 0.43 -0.07 -0.55 8.47 8.31 2gk6B1 MET 423 HA 0.01 0.14 0.39 -0.75 4.52 4.30 2gk6B1 MET 423 HB2 0.09 0.07 0.15 -0.04 2.15 2.43 2gk6B1 MET 423 HB3 0.05 -0.08 -0.08 -0.04 2.03 1.88 2gk6B1 MET 423 HG2 -0.02 0.08 -0.21 -0.04 2.63 2.44 2gk6B1 MET 423 HG3 -0.03 0.24 0.03 -0.04 2.56 2.75 2gk6B1 MET 423 HE3 0.03 0.00 -0.16 -0.04 2.10 1.93 2gk6B1 GLN 424 H 0.09 0.55 -0.13 -0.55 8.47 8.43 2gk6B1 GLN 424 HA 0.08 -0.01 0.41 -0.75 4.36 4.09 2gk6B1 GLN 424 HB2 0.11 0.07 0.10 -0.04 2.15 2.39 2gk6B1 GLN 424 HB3 0.08 0.12 0.06 -0.04 2.02 2.24 2gk6B1 GLN 424 HG2 0.08 -0.03 -0.03 -0.04 2.40 2.39 2gk6B1 GLN 424 HG3 0.08 -0.00 -0.05 -0.04 2.39 2.37 2gk6B1 GLN 424 HE21 0.09 0.24 0.14 -0.04 6.97 7.39 2gk6B1 GLN 424 HE22 0.10 -0.05 -0.02 -0.04 7.69 7.68 2gk6B1 SER 425 H 0.05 0.48 -0.22 -0.55 8.46 8.23 2gk6B1 SER 425 HA 0.05 -0.02 0.44 -0.75 4.49 4.21 2gk6B1 SER 425 HB2 0.04 -0.06 0.10 -0.04 3.95 3.99 2gk6B1 SER 425 HB3 0.03 0.08 0.23 -0.04 3.93 4.24 2gk6B1 ALA 426 H 0.03 0.64 -0.16 -0.55 8.40 8.37 2gk6B1 ALA 426 HA 0.03 0.06 0.41 -0.75 4.34 4.09 2gk6B1 ALA 426 HB3 0.00 0.06 -0.04 -0.04 1.41 1.39 2gk6B1 LEU 427 H 0.07 0.46 -0.20 -0.55 8.37 8.15 2gk6B1 LEU 427 HA 0.21 0.04 0.41 -0.75 4.35 4.26 2gk6B1 LEU 427 HB2 0.10 0.11 0.13 -0.04 1.64 1.94 2gk6B1 LEU 427 HB3 0.16 -0.08 0.03 -0.04 1.64 1.70 2gk6B1 LEU 427 HG 0.05 0.24 0.06 -0.04 1.64 1.95 2gk6B1 LEU 427 HD13 0.08 -0.05 -0.13 -0.04 0.93 0.79 2gk6B1 LEU 427 HD23 0.06 -0.02 -0.07 -0.04 0.89 0.82 2gk6B1 LYS 428 H 0.08 0.46 -0.22 -0.55 8.42 8.19 2gk6B1 LYS 428 HA 0.07 -0.01 0.48 -0.75 4.32 4.10 2gk6B1 LYS 428 HB2 0.07 0.02 0.13 -0.04 1.87 2.05 2gk6B1 LYS 428 HB3 0.06 0.19 0.16 -0.04 1.79 2.16 2gk6B1 LYS 428 HG2 0.05 0.01 -0.14 -0.04 1.46 1.34 2gk6B1 LYS 428 HG3 0.07 -0.06 0.04 -0.04 1.46 1.47 2gk6B1 LYS 428 HD2 0.06 -0.03 -0.01 -0.04 1.69 1.68 2gk6B1 LYS 428 HD3 0.05 0.02 -0.01 -0.04 1.68 1.70 2gk6B1 LYS 428 HE2 0.05 0.01 -0.04 -0.04 2.99 2.97 2gk6B1 LYS 428 HE3 0.06 -0.02 -0.02 -0.04 2.99 2.97 2gk6B1 THR 429 H 0.07 0.56 -0.13 -0.55 8.28 8.22 2gk6B1 THR 429 HA 0.03 -0.07 0.47 -0.75 4.39 4.07 2gk6B1 THR 429 HB 0.06 0.18 0.18 -0.04 4.32 4.71 2gk6B1 THR 429 HG23 0.04 0.00 -0.00 -0.04 1.22 1.22 2gk6B1 PHE 430 H 0.18 0.41 -0.29 -0.55 8.34 8.09 2gk6B1 PHE 430 HA -0.06 0.08 0.40 -0.75 4.62 4.29 2gk6B1 PHE 430 HB2 -0.05 0.07 0.06 -0.04 3.15 3.20 2gk6B1 PHE 430 HB3 -0.02 0.11 0.11 -0.04 3.06 3.22 2gk6B1 PHE 430 HD2 -0.15 0.02 -0.03 -0.04 7.28 7.08 2gk6B1 PHE 430 HE2 -0.72 -0.04 -0.10 -0.04 7.38 6.48 2gk6B1 PHE 430 HZ -0.50 0.06 -0.09 -0.04 7.32 6.75 2gk6B1 ALA 431 H -0.04 0.33 -0.32 -0.55 8.40 7.83 2gk6B1 ALA 431 HA -0.58 -0.05 0.45 -0.75 4.34 3.41 2gk6B1 ALA 431 HB3 -0.46 0.02 -0.04 -0.04 1.41 0.88 2gk6B1 VAL 432 H -0.08 0.32 -0.14 -0.55 8.24 7.79 2gk6B1 VAL 432 HA -0.02 0.11 0.67 -0.75 4.13 4.13 2gk6B1 VAL 432 HB 0.02 0.08 0.06 -0.04 2.12 2.24 2gk6B1 VAL 432 HG13 0.04 -0.02 -0.09 -0.04 0.97 0.86 2gk6B1 VAL 432 HG23 0.11 -0.02 -0.06 -0.04 0.95 0.95 2gk6B1 ASP 433 H -0.02 0.48 0.13 -0.55 8.40 8.44 2gk6B1 ASP 433 HA -0.02 0.06 0.92 -0.75 4.63 4.83 2gk6B1 ASP 433 HB2 0.01 -0.05 0.13 -0.04 2.71 2.76 2gk6B1 ASP 433 HB3 0.01 0.13 0.23 -0.04 2.70 3.03 2gk6B1 GLU 434 H -0.05 0.18 0.14 -0.55 8.60 8.33 2gk6B1 GLU 434 HA -0.13 0.15 0.33 -0.75 4.29 3.88 2gk6B1 GLU 434 HB2 -0.12 0.01 0.10 -0.04 2.09 2.04 2gk6B1 GLU 434 HB3 -0.10 0.03 0.06 -0.04 1.99 1.94 2gk6B1 GLU 434 HG2 -0.04 -0.02 0.07 -0.04 2.34 2.31 2gk6B1 GLU 434 HG3 -0.05 0.06 -0.23 -0.04 2.34 2.08 2gk6B1 THR 435 H -0.03 0.02 -0.25 -0.55 8.28 7.48 2gk6B1 THR 435 HA -0.02 0.22 0.70 -0.75 4.39 4.54 2gk6B1 THR 435 HB -0.01 0.05 0.09 -0.04 4.32 4.41 2gk6B1 THR 435 HG23 -0.02 -0.02 -0.03 -0.04 1.22 1.11 2gk6B1 SER 436 H 0.01 0.29 -0.38 -0.55 8.46 7.83 2gk6B1 SER 436 HA 0.02 0.13 0.40 -0.75 4.49 4.29 2gk6B1 SER 436 HB2 0.06 0.00 0.11 -0.04 3.95 4.08 2gk6B1 SER 436 HB3 0.04 -0.02 0.10 -0.04 3.93 4.01 2gk6B1 VAL 437 H 0.05 0.20 -0.10 -0.55 8.24 7.84 2gk6B1 VAL 437 HA 0.04 0.36 0.35 -0.75 4.13 4.12 2gk6B1 VAL 437 HB 0.06 -0.18 0.02 -0.04 2.12 1.98 2gk6B1 VAL 437 HG13 -0.03 0.03 -0.20 -0.04 0.97 0.73 2gk6B1 VAL 437 HG23 0.27 -0.03 -0.16 -0.04 0.95 0.99 2gk6B1 SER 438 H 0.06 0.29 0.17 -0.55 8.46 8.43 2gk6B1 SER 438 HA 0.03 0.18 0.11 -0.75 4.49 4.06 2gk6B1 SER 438 HB2 0.07 -0.03 0.15 -0.04 3.95 4.10 2gk6B1 SER 438 HB3 0.06 0.19 0.27 -0.04 3.93 4.40 2gk6B1 GLY 439 H 0.09 -0.10 -0.27 -0.55 8.43 7.60 2gk6B1 GLY 439 HA2 -0.04 0.06 0.37 -0.51 4.01 3.89 2gk6B1 GLY 439 HA3 0.05 0.32 0.97 -0.51 4.01 4.84 2gk6B1 TYR 440 H 0.23 0.30 -0.21 -0.55 8.29 8.06 2gk6B1 TYR 440 HA 0.18 0.12 0.55 -0.75 4.56 4.66 2gk6B1 TYR 440 HB2 0.07 0.06 0.07 -0.04 3.06 3.22 2gk6B1 TYR 440 HB3 0.05 0.01 0.07 -0.04 2.98 3.07 2gk6B1 TYR 440 HD2 0.05 0.01 -0.13 -0.04 7.15 7.03 2gk6B1 TYR 440 HE2 0.02 0.10 -0.17 -0.04 6.85 6.76 2gk6B1 ILE 441 H 0.18 0.11 -0.11 -0.55 8.25 7.88 2gk6B1 ILE 441 HA -0.09 0.14 0.31 -0.75 4.18 3.78 2gk6B1 ILE 441 HB 0.07 -0.18 0.04 -0.04 1.89 1.78 2gk6B1 ILE 441 HG12 0.11 0.05 -0.11 -0.04 1.49 1.50 2gk6B1 ILE 441 HG13 0.20 -0.04 -0.04 -0.04 1.21 1.29 2gk6B1 ILE 441 HG23 -0.04 0.03 -0.17 -0.04 0.93 0.71 2gk6B1 ILE 441 HD13 0.05 0.11 -0.44 -0.04 0.88 0.56 2gk6B1 TYR 442 H 0.13 -0.16 -0.44 -0.55 8.29 7.27 2gk6B1 TYR 442 HA 0.06 0.07 0.34 -0.75 4.56 4.28 2gk6B1 TYR 442 HB2 -0.03 0.03 -0.00 -0.04 3.06 3.01 2gk6B1 TYR 442 HB3 -0.19 0.09 0.10 -0.04 2.98 2.95 2gk6B1 TYR 442 HD2 -0.58 0.06 -0.06 -0.04 7.15 6.53 2gk6B1 TYR 442 HE2 -0.35 -0.03 -0.03 -0.04 6.85 6.40 2gk6B1 HIS 443 H 0.00 0.56 -0.13 -0.55 8.41 8.30 2gk6B1 HIS 443 HA -0.38 0.00 0.36 -0.75 4.63 3.86 2gk6B1 HIS 443 HB2 -0.05 0.12 0.13 -0.04 3.26 3.42 2gk6B1 HIS 443 HB3 0.02 -0.01 -0.14 -0.04 3.20 3.02 2gk6B1 HIS 443 HD2 0.14 -0.02 -0.09 -0.04 6.97 6.96 2gk6B1 HIS 443 HE1 0.27 -0.02 -0.01 -0.04 7.75 7.94 2gk6B1 LYS 444 H -0.23 0.46 -0.30 -0.55 8.42 7.79 2gk6B1 LYS 444 HA -0.16 0.15 0.32 -0.75 4.32 3.88 2gk6B1 LYS 444 HB2 -0.60 0.14 0.05 -0.04 1.87 1.42 2gk6B1 LYS 444 HB3 -0.22 -0.01 -0.05 -0.04 1.79 1.47 2gk6B1 LYS 444 HG2 -0.18 -0.03 -0.07 -0.04 1.46 1.14 2gk6B1 LYS 444 HG3 -0.13 -0.01 -0.01 -0.04 1.46 1.27 2gk6B1 LYS 444 HD2 -0.19 0.06 -0.04 -0.04 1.69 1.47 2gk6B1 LYS 444 HD3 -0.63 -0.02 -0.07 -0.04 1.68 0.91 2gk6B1 LYS 444 HE2 0.04 0.06 -0.03 -0.04 2.99 3.02 2gk6B1 LYS 444 HE3 0.07 -0.03 -0.04 -0.04 2.99 2.95 2gk6B1 LEU 445 H -0.19 0.50 -0.18 -0.55 8.37 7.95 2gk6B1 LEU 445 HA -0.12 0.04 0.39 -0.75 4.35 3.91 2gk6B1 LEU 445 HB2 -0.22 0.09 0.05 -0.04 1.64 1.53 2gk6B1 LEU 445 HB3 -0.28 -0.08 -0.03 -0.04 1.64 1.20 2gk6B1 LEU 445 HG -0.16 0.09 0.00 -0.04 1.64 1.54 2gk6B1 LEU 445 HD13 -0.33 -0.03 -0.15 -0.04 0.93 0.39 2gk6B1 LEU 445 HD23 -0.16 -0.02 -0.07 -0.04 0.89 0.59 2gk6B1 LEU 446 H -0.33 0.34 -0.37 -0.55 8.37 7.47 2gk6B1 LEU 446 HA 0.01 0.07 0.65 -0.75 4.35 4.33 2gk6B1 LEU 446 HB2 -1.00 0.07 0.02 -0.04 1.64 0.70 2gk6B1 LEU 446 HB3 -0.35 0.07 0.04 -0.04 1.64 1.36 2gk6B1 LEU 446 HG -0.59 0.21 -0.08 -0.04 1.64 1.14 2gk6B1 LEU 446 HD13 -0.76 -0.05 -0.34 -0.04 0.93 -0.26 2gk6B1 LEU 446 HD23 -0.23 -0.02 -0.21 -0.04 0.89 0.39 2gk6B1 GLY 447 H -0.10 0.30 -0.56 -0.55 8.43 7.53 2gk6B1 GLY 447 HA2 0.00 0.08 0.25 -0.51 4.01 3.83 2gk6B1 GLY 447 HA3 0.06 0.00 0.30 -0.51 4.01 3.85 2gk6B1 HIS 448 H -0.10 0.27 -0.26 -0.55 8.41 7.77 2gk6B1 HIS 448 HA -0.00 0.03 0.53 -0.75 4.63 4.44 2gk6B1 HIS 448 HB2 0.05 -0.04 -0.04 -0.04 3.26 3.18 2gk6B1 HIS 448 HB3 -0.04 -0.05 -0.05 -0.04 3.20 3.02 2gk6B1 HIS 448 HD2 0.03 0.06 -0.20 -0.04 6.97 6.82 2gk6B1 HIS 448 HE1 0.07 -0.05 -0.06 -0.04 7.75 7.66 2gk6B1 GLU 449 H 0.03 0.10 0.09 -0.55 8.60 8.28 2gk6B1 GLU 449 HA 0.02 0.19 0.72 -0.75 4.29 4.47 2gk6B1 GLU 449 HB2 0.00 -0.06 0.17 -0.04 2.09 2.16 2gk6B1 GLU 449 HB3 0.01 -0.03 -0.01 -0.04 1.99 1.91 2gk6B1 GLU 449 HG2 0.02 0.08 -0.05 -0.04 2.34 2.34 2gk6B1 GLU 449 HG3 0.01 -0.05 -0.00 -0.04 2.34 2.25 2gk6B1 VAL 450 H 0.01 0.34 0.09 -0.55 8.24 8.13 2gk6B1 VAL 450 HA -0.00 0.10 0.80 -0.75 4.13 4.27 2gk6B1 VAL 450 HB 0.14 0.06 -0.01 -0.04 2.12 2.27 2gk6B1 VAL 450 HG13 -0.15 -0.02 -0.18 -0.04 0.97 0.58 2gk6B1 VAL 450 HG23 -0.05 0.04 -0.12 -0.04 0.95 0.77 2gk6B1 GLU 451 H 0.06 0.07 0.10 -0.55 8.60 8.28 2gk6B1 GLU 451 HA 0.06 0.03 0.45 -0.75 4.29 4.07 2gk6B1 GLU 451 HB2 0.03 -0.05 0.14 -0.04 2.09 2.17 2gk6B1 GLU 451 HB3 0.04 0.09 0.01 -0.04 1.99 2.09 2gk6B1 GLU 451 HG2 0.02 -0.00 0.03 -0.04 2.34 2.35 2gk6B1 GLU 451 HG3 0.03 -0.02 0.11 -0.04 2.34 2.41 2gk6B1 ASP 452 H 0.05 0.04 0.16 -0.55 8.40 8.11 2gk6B1 ASP 452 HA 0.11 0.07 0.42 -0.75 4.63 4.47 2gk6B1 ASP 452 HB2 0.02 -0.06 0.07 -0.04 2.71 2.70 2gk6B1 ASP 452 HB3 0.00 0.09 0.01 -0.04 2.70 2.76 2gk6B1 VAL 453 H -0.22 0.19 0.23 -0.55 8.24 7.89 2gk6B1 VAL 453 HA -0.12 0.13 0.85 -0.75 4.13 4.24 2gk6B1 VAL 453 HB -0.65 -0.04 0.11 -0.04 2.12 1.50 2gk6B1 VAL 453 HG13 -0.17 -0.01 -0.18 -0.04 0.97 0.57 2gk6B1 VAL 453 HG23 -0.27 0.02 -0.10 -0.04 0.95 0.57 2gk6B1 ILE 454 H -0.07 0.15 0.11 -0.55 8.25 7.89 2gk6B1 ILE 454 HA -0.06 0.39 1.03 -0.75 4.18 4.79 2gk6B1 ILE 454 HB -0.03 -0.10 0.13 -0.04 1.89 1.85 2gk6B1 ILE 454 HG12 -0.03 0.10 0.00 -0.04 1.49 1.53 2gk6B1 ILE 454 HG13 -0.03 -0.11 -0.26 -0.04 1.21 0.77 2gk6B1 ILE 454 HG23 -0.02 0.02 -0.11 -0.04 0.93 0.78 2gk6B1 ILE 454 HD13 -0.01 -0.02 -0.03 -0.04 0.88 0.78 2gk6B1 ILE 455 H -0.05 0.64 0.12 -0.55 8.25 8.40 2gk6B1 ILE 455 HA -0.04 -0.01 0.61 -0.75 4.18 3.99 2gk6B1 ILE 455 HB -0.02 0.10 0.03 -0.04 1.89 1.97 2gk6B1 ILE 455 HG12 -0.05 0.02 -0.39 -0.04 1.49 1.03 2gk6B1 ILE 455 HG13 -0.02 0.10 -0.36 -0.04 1.21 0.89 2gk6B1 ILE 455 HG23 -0.01 -0.04 -0.10 -0.04 0.93 0.73 2gk6B1 ILE 455 HD13 -0.05 -0.02 -0.11 -0.04 0.88 0.66 2gk6B1 LYS 456 H -0.02 0.11 0.06 -0.55 8.42 8.02 2gk6B1 LYS 456 HA -0.01 0.23 0.71 -0.75 4.32 4.49 2gk6B1 LYS 456 HB2 -0.01 -0.04 0.15 -0.04 1.87 1.93 2gk6B1 LYS 456 HB3 -0.01 -0.01 0.14 -0.04 1.79 1.86 2gk6B1 LYS 456 HG2 -0.02 0.06 -0.24 -0.04 1.46 1.22 2gk6B1 LYS 456 HG3 -0.02 0.11 -0.05 -0.04 1.46 1.45 2gk6B1 LYS 456 HD2 -0.01 -0.04 0.03 -0.04 1.69 1.62 2gk6B1 LYS 456 HD3 -0.01 -0.03 -0.00 -0.04 1.68 1.60 2gk6B1 LYS 456 HE2 -0.02 -0.00 0.04 -0.04 2.99 2.97 2gk6B1 LYS 456 HE3 -0.01 -0.06 0.01 -0.04 2.99 2.88 2gk6B1 CYS 457 H -0.01 0.21 -0.43 -0.55 8.50 7.72 2gk6B1 CYS 457 HA -0.01 0.04 0.50 -0.75 4.58 4.35 2gk6B1 CYS 457 HB2 -0.01 0.02 -0.02 -0.04 2.97 2.92 2gk6B1 CYS 457 HB3 -0.00 -0.02 -0.02 -0.04 2.97 2.88 2gk6B1 GLN 458 H -0.02 0.12 0.08 -0.55 8.47 8.10 2gk6B1 GLN 458 HA -0.03 0.05 0.55 -0.75 4.36 4.18 2gk6B1 GLN 458 HB2 -0.02 -0.04 0.10 -0.04 2.15 2.14 2gk6B1 GLN 458 HB3 -0.03 0.02 0.17 -0.04 2.02 2.13 2gk6B1 GLN 458 HG2 -0.05 0.12 -0.35 -0.04 2.40 2.08 2gk6B1 GLN 458 HG3 -0.03 -0.04 -0.03 -0.04 2.39 2.25 2gk6B1 GLN 458 HE21 -0.03 -0.03 -0.00 -0.04 6.97 6.87 2gk6B1 GLN 458 HE22 -0.04 0.01 -0.08 -0.04 7.69 7.54 2gk6B1 LEU 459 H -0.03 0.13 0.13 -0.55 8.37 8.05 2gk6B1 LEU 459 HA -0.10 0.11 0.41 -0.75 4.35 4.02 2gk6B1 LEU 459 HB2 -0.02 -0.09 0.06 -0.04 1.64 1.55 2gk6B1 LEU 459 HB3 -0.03 0.10 -0.05 -0.04 1.64 1.62 2gk6B1 LEU 459 HG 0.02 0.06 -0.01 -0.04 1.64 1.67 2gk6B1 LEU 459 HD13 0.12 -0.02 -0.02 -0.04 0.93 0.96 2gk6B1 LEU 459 HD23 0.10 0.01 -0.09 -0.04 0.89 0.86 2gk6B1 PRO 460 HA -0.20 0.03 0.48 -0.51 4.44 4.24 2gk6B1 PRO 460 HB2 -0.78 0.03 -0.31 -0.04 2.28 1.19 2gk6B1 PRO 460 HB3 -0.24 0.04 0.10 -0.04 2.02 1.88 2gk6B1 PRO 460 HG2 -1.41 0.02 0.01 -0.04 2.03 0.61 2gk6B1 PRO 460 HG3 -0.47 0.09 0.06 -0.04 2.03 1.67 2gk6B1 PRO 460 HD2 -0.81 0.03 0.09 -0.04 3.68 2.95 2gk6B1 PRO 460 HD3 -0.29 0.19 0.18 -0.04 3.65 3.69 2gk6B1 LYS 461 H -0.13 0.10 0.14 -0.55 8.42 7.98 2gk6B1 LYS 461 HA -0.09 0.10 0.54 -0.75 4.32 4.11 2gk6B1 LYS 461 HB2 -0.05 0.03 0.14 -0.04 1.87 1.94 2gk6B1 LYS 461 HB3 -0.05 -0.05 0.11 -0.04 1.79 1.76 2gk6B1 LYS 461 HG2 -0.01 -0.03 -0.08 -0.04 1.46 1.29 2gk6B1 LYS 461 HG3 -0.02 0.02 0.06 -0.04 1.46 1.48 2gk6B1 LYS 461 HD2 -0.01 -0.03 0.00 -0.04 1.69 1.62 2gk6B1 LYS 461 HD3 -0.02 0.03 0.02 -0.04 1.68 1.67 2gk6B1 LYS 461 HE2 -0.01 -0.01 0.00 -0.04 2.99 2.93 2gk6B1 LYS 461 HE3 -0.01 0.02 0.01 -0.04 2.99 2.96 2gk6B1 ARG 462 H -0.10 0.12 0.02 -0.55 8.46 7.95 2gk6B1 ARG 462 HA 0.01 0.11 0.79 -0.75 4.34 4.50 2gk6B1 ARG 462 HB2 0.02 -0.03 0.05 -0.04 1.90 1.90 2gk6B1 ARG 462 HB3 -0.01 -0.05 0.01 -0.04 1.80 1.71 2gk6B1 ARG 462 HG2 0.04 0.11 -0.14 -0.04 1.67 1.64 2gk6B1 ARG 462 HG3 0.04 -0.07 -0.21 -0.04 1.67 1.38 2gk6B1 ARG 462 HD2 0.01 -0.04 -0.04 -0.04 3.22 3.12 2gk6B1 ARG 462 HD3 0.01 0.05 -0.12 -0.04 3.22 3.12 2gk6B1 PHE 463 H 0.22 0.02 0.09 -0.55 8.34 8.11 2gk6B1 PHE 463 HA -0.03 0.22 0.47 -0.75 4.62 4.53 2gk6B1 PHE 463 HB2 0.01 -0.10 0.07 -0.04 3.15 3.10 2gk6B1 PHE 463 HB3 0.04 -0.03 -0.06 -0.04 3.06 2.96 2gk6B1 PHE 463 HD2 -0.07 -0.04 -0.11 -0.04 7.28 7.02 2gk6B1 PHE 463 HE2 -0.07 0.03 -0.09 -0.04 7.38 7.21 2gk6B1 PHE 463 HZ -0.06 0.01 -0.04 -0.04 7.32 7.19 2gk6B1 THR 464 H 0.15 -0.08 0.04 -0.55 8.28 7.84 2gk6B1 THR 464 HA 0.07 0.02 0.51 -0.75 4.39 4.24 2gk6B1 THR 464 HB 0.03 -0.02 -0.04 -0.04 4.32 4.25 2gk6B1 THR 464 HG23 -0.03 0.08 -0.16 -0.04 1.22 1.07 2gk6B1 ALA 465 H -0.09 0.15 0.10 -0.55 8.40 8.01 2gk6B1 ALA 465 HA -0.34 0.19 0.81 -0.75 4.34 4.25 2gk6B1 ALA 465 HB3 -0.61 0.03 0.03 -0.04 1.41 0.82 2gk6B1 GLN 466 H -0.54 0.16 0.13 -0.55 8.47 7.67 2gk6B1 GLN 466 HA -0.14 -0.05 0.44 -0.75 4.36 3.86 2gk6B1 GLN 466 HB2 -0.12 -0.02 0.15 -0.04 2.15 2.12 2gk6B1 GLN 466 HB3 -0.21 0.16 0.15 -0.04 2.02 2.08 2gk6B1 GLN 466 HG2 -0.04 0.04 -0.03 -0.04 2.40 2.33 2gk6B1 GLN 466 HG3 -0.08 0.07 -0.10 -0.04 2.39 2.24 2gk6B1 GLN 466 HE21 -0.02 -0.05 0.00 -0.04 6.97 6.86 2gk6B1 GLN 466 HE22 -0.01 0.04 0.01 -0.04 7.69 7.68 2gk6B1 GLY 467 H -0.10 0.06 0.18 -0.55 8.43 8.02 2gk6B1 GLY 467 HA2 -0.07 -0.08 0.34 -0.51 4.01 3.69 2gk6B1 GLY 467 HA3 -0.10 0.42 0.26 -0.51 4.01 4.09 2gk6B1 LEU 468 H -0.13 0.42 -0.39 -0.55 8.37 7.72 2gk6B1 LEU 468 HA -0.07 0.14 0.84 -0.75 4.35 4.51 2gk6B1 LEU 468 HB2 -0.12 0.01 -0.06 -0.04 1.64 1.43 2gk6B1 LEU 468 HB3 -0.08 -0.04 0.03 -0.04 1.64 1.51 2gk6B1 LEU 468 HG -0.10 0.09 -0.33 -0.04 1.64 1.26 2gk6B1 LEU 468 HD13 -0.08 0.01 -0.16 -0.04 0.93 0.66 2gk6B1 LEU 468 HD23 -0.05 -0.02 0.01 -0.04 0.89 0.80 2gk6B1 PRO 469 HA -0.07 0.04 0.42 -0.51 4.44 4.33 2gk6B1 PRO 469 HB2 -0.13 -0.02 -0.13 -0.04 2.28 1.97 2gk6B1 PRO 469 HB3 -0.12 0.04 0.05 -0.04 2.02 1.94 2gk6B1 PRO 469 HG2 -0.13 -0.02 0.03 -0.04 2.03 1.87 2gk6B1 PRO 469 HG3 -0.09 0.07 0.05 -0.04 2.03 2.02 2gk6B1 PRO 469 HD2 -0.08 0.05 0.15 -0.04 3.68 3.76 2gk6B1 PRO 469 HD3 -0.07 0.20 0.20 -0.04 3.65 3.94 2gk6B1 ASP 470 H -0.05 0.10 0.11 -0.55 8.40 8.02 2gk6B1 ASP 470 HA -0.02 0.02 0.46 -0.75 4.63 4.34 2gk6B1 ASP 470 HB2 -0.02 -0.03 0.15 -0.04 2.71 2.76 2gk6B1 ASP 470 HB3 -0.02 0.07 -0.02 -0.04 2.70 2.69 2gk6B1 LEU 471 H 0.01 0.07 0.18 -0.55 8.37 8.08 2gk6B1 LEU 471 HA -0.00 0.01 0.32 -0.75 4.35 3.93 2gk6B1 LEU 471 HB2 0.05 -0.06 0.07 -0.04 1.64 1.65 2gk6B1 LEU 471 HB3 0.02 -0.02 -0.11 -0.04 1.64 1.49 2gk6B1 LEU 471 HG 0.04 -0.07 -0.15 -0.04 1.64 1.42 2gk6B1 LEU 471 HD13 0.01 0.02 -0.05 -0.04 0.93 0.87 2gk6B1 LEU 471 HD23 0.14 0.00 -0.30 -0.04 0.89 0.69 2gk6B1 ASN 472 H 0.04 0.06 0.17 -0.55 8.53 8.26 2gk6B1 ASN 472 HA -0.05 0.27 0.79 -0.75 4.76 5.02 2gk6B1 ASN 472 HB2 0.07 -0.03 0.16 -0.04 2.88 3.04 2gk6B1 ASN 472 HB3 0.15 0.17 0.10 -0.04 2.79 3.16 2gk6B1 ASN 472 HD21 0.21 0.09 0.08 -0.04 7.03 7.37 2gk6B1 ASN 472 HD22 0.41 0.13 0.04 -0.04 7.74 8.28 2gk6B1 HIS 473 H 0.01 0.22 0.14 -0.55 8.41 8.23 2gk6B1 HIS 473 HA 0.02 0.11 0.22 -0.75 4.63 4.22 2gk6B1 HIS 473 HB2 -0.00 -0.03 0.16 -0.04 3.26 3.35 2gk6B1 HIS 473 HB3 -0.01 0.08 -0.00 -0.04 3.20 3.22 2gk6B1 HIS 473 HD2 -0.00 0.01 0.06 -0.04 6.97 6.99 2gk6B1 HIS 473 HE1 0.01 0.03 -0.00 -0.04 7.75 7.74 2gk6B1 SER 474 H 0.11 0.06 -0.12 -0.55 8.46 7.96 2gk6B1 SER 474 HA 0.11 0.15 0.42 -0.75 4.49 4.42 2gk6B1 SER 474 HB2 0.07 0.28 0.20 -0.04 3.95 4.46 2gk6B1 SER 474 HB3 0.05 0.07 0.16 -0.04 3.93 4.16 2gk6B1 GLN 475 H 0.07 0.06 -0.23 -0.55 8.47 7.83 2gk6B1 GLN 475 HA 0.05 0.08 0.47 -0.75 4.36 4.20 2gk6B1 GLN 475 HB2 0.04 -0.01 0.16 -0.04 2.15 2.29 2gk6B1 GLN 475 HB3 0.03 0.05 -0.01 -0.04 2.02 2.06 2gk6B1 GLN 475 HG2 0.05 0.08 0.06 -0.04 2.40 2.54 2gk6B1 GLN 475 HG3 0.08 -0.10 0.08 -0.04 2.39 2.41 2gk6B1 GLN 475 HE21 -0.03 -0.02 -0.02 -0.04 6.97 6.86 2gk6B1 GLN 475 HE22 0.09 0.33 0.13 -0.04 7.69 8.20 2gk6B1 VAL 476 H 0.02 0.64 -0.11 -0.55 8.24 8.24 2gk6B1 VAL 476 HA -0.10 0.02 0.38 -0.75 4.13 3.68 2gk6B1 VAL 476 HB 0.00 0.11 0.03 -0.04 2.12 2.22 2gk6B1 VAL 476 HG13 -0.19 0.00 -0.16 -0.04 0.97 0.58 2gk6B1 VAL 476 HG23 -0.00 -0.01 -0.15 -0.04 0.95 0.75 2gk6B1 TYR 477 H 0.11 0.45 -0.28 -0.55 8.29 8.02 2gk6B1 TYR 477 HA -0.13 0.04 0.37 -0.75 4.56 4.10 2gk6B1 TYR 477 HB2 -0.02 -0.01 0.08 -0.04 3.06 3.07 2gk6B1 TYR 477 HB3 -0.02 0.12 0.13 -0.04 2.98 3.18 2gk6B1 TYR 477 HD2 -0.03 0.01 -0.03 -0.04 7.15 7.06 2gk6B1 TYR 477 HE2 -0.01 -0.00 -0.01 -0.04 6.85 6.79 2gk6B1 ALA 478 H 0.01 0.30 -0.28 -0.55 8.40 7.89 2gk6B1 ALA 478 HA -0.19 0.05 0.49 -0.75 4.34 3.94 2gk6B1 ALA 478 HB3 0.01 0.01 0.06 -0.04 1.41 1.45 2gk6B1 VAL 479 H -0.05 0.62 0.04 -0.55 8.24 8.30 2gk6B1 VAL 479 HA 0.03 -0.00 0.29 -0.75 4.13 3.70 2gk6B1 VAL 479 HB 0.00 0.02 0.06 -0.04 2.12 2.17 2gk6B1 VAL 479 HG13 0.32 0.02 -0.16 -0.04 0.97 1.11 2gk6B1 VAL 479 HG23 0.08 0.03 -0.01 -0.04 0.95 1.01 2gk6B1 LYS 480 H -0.33 0.50 -0.27 -0.55 8.42 7.76 2gk6B1 LYS 480 HA -0.09 0.06 0.39 -0.75 4.32 3.92 2gk6B1 LYS 480 HB2 -1.12 -0.00 0.07 -0.04 1.87 0.77 2gk6B1 LYS 480 HB3 -0.37 0.04 0.09 -0.04 1.79 1.51 2gk6B1 LYS 480 HG2 -0.13 0.01 -0.27 -0.04 1.46 1.03 2gk6B1 LYS 480 HG3 -0.07 0.00 -0.02 -0.04 1.46 1.33 2gk6B1 LYS 480 HD2 -0.18 -0.01 -0.06 -0.04 1.69 1.40 2gk6B1 LYS 480 HD3 -0.17 -0.02 -0.07 -0.04 1.68 1.38 2gk6B1 LYS 480 HE2 -0.01 0.01 -0.07 -0.04 2.99 2.88 2gk6B1 LYS 480 HE3 0.03 0.01 -0.05 -0.04 2.99 2.94 2gk6B1 THR 481 H -0.29 0.40 -0.23 -0.55 8.28 7.62 2gk6B1 THR 481 HA -0.14 0.04 0.42 -0.75 4.39 3.96 2gk6B1 THR 481 HB -0.27 0.03 0.11 -0.04 4.32 4.14 2gk6B1 THR 481 HG23 -0.17 -0.03 0.01 -0.04 1.22 0.99 2gk6B1 VAL 482 H -0.10 0.47 -0.19 -0.55 8.24 7.88 2gk6B1 VAL 482 HA -0.04 0.02 0.25 -0.75 4.13 3.61 2gk6B1 VAL 482 HB -0.02 0.16 0.07 -0.04 2.12 2.29 2gk6B1 VAL 482 HG13 0.02 -0.01 -0.26 -0.04 0.97 0.68 2gk6B1 VAL 482 HG23 -0.03 -0.04 -0.08 -0.04 0.95 0.75 2gk6B1 LEU 483 H 0.01 0.39 -0.22 -0.55 8.37 8.00 2gk6B1 LEU 483 HA 0.03 0.04 0.42 -0.75 4.35 4.09 2gk6B1 LEU 483 HB2 0.07 0.10 0.00 -0.04 1.64 1.77 2gk6B1 LEU 483 HB3 0.04 -0.04 -0.06 -0.04 1.64 1.54 2gk6B1 LEU 483 HG 0.10 0.06 0.06 -0.04 1.64 1.82 2gk6B1 LEU 483 HD13 0.12 -0.01 -0.06 -0.04 0.93 0.94 2gk6B1 LEU 483 HD23 0.10 0.00 -0.06 -0.04 0.89 0.89 2gk6B1 GLN 484 H -0.01 0.24 -0.62 -0.55 8.47 7.53 2gk6B1 GLN 484 HA -0.01 0.15 0.68 -0.75 4.36 4.43 2gk6B1 GLN 484 HB2 -0.03 0.14 0.10 -0.04 2.15 2.33 2gk6B1 GLN 484 HB3 -0.02 -0.10 0.16 -0.04 2.02 2.02 2gk6B1 GLN 484 HG2 0.01 0.03 -0.07 -0.04 2.40 2.32 2gk6B1 GLN 484 HG3 0.02 0.09 -0.06 -0.04 2.39 2.40 2gk6B1 GLN 484 HE21 0.02 -0.09 -0.01 -0.04 6.97 6.85 2gk6B1 GLN 484 HE22 0.01 0.05 0.01 -0.04 7.69 7.73 2gk6B1 ARG 485 H -0.02 0.32 -0.20 -0.55 8.46 8.01 2gk6B1 ARG 485 HA -0.05 0.24 1.00 -0.75 4.34 4.78 2gk6B1 ARG 485 HB2 -0.02 0.01 0.06 -0.04 1.90 1.90 2gk6B1 ARG 485 HB3 0.00 -0.08 -0.01 -0.04 1.80 1.67 2gk6B1 ARG 485 HG2 -0.02 0.02 0.04 -0.04 1.67 1.67 2gk6B1 ARG 485 HG3 -0.04 0.12 -0.06 -0.04 1.67 1.65 2gk6B1 ARG 485 HD2 -0.03 -0.06 -0.05 -0.04 3.22 3.04 2gk6B1 ARG 485 HD3 0.00 0.04 0.05 -0.04 3.22 3.27 2gk6B1 PRO 486 HA 0.01 0.11 0.62 -0.51 4.44 4.67 2gk6B1 PRO 486 HB2 0.18 -0.07 -0.02 -0.04 2.28 2.33 2gk6B1 PRO 486 HB3 -0.03 0.12 0.17 -0.04 2.02 2.24 2gk6B1 PRO 486 HG2 -0.51 -0.01 0.08 -0.04 2.03 1.55 2gk6B1 PRO 486 HG3 -0.47 -0.02 0.04 -0.04 2.03 1.54 2gk6B1 PRO 486 HD2 -0.12 0.18 0.34 -0.04 3.68 4.03 2gk6B1 PRO 486 HD3 -0.14 0.11 0.08 -0.04 3.65 3.66 2gk6B1 LEU 487 H 0.07 0.18 -0.30 -0.55 8.37 7.77 2gk6B1 LEU 487 HA 0.03 0.36 0.81 -0.75 4.35 4.80 2gk6B1 LEU 487 HB2 0.09 0.03 -0.13 -0.04 1.64 1.60 2gk6B1 LEU 487 HB3 0.18 -0.05 -0.05 -0.04 1.64 1.67 2gk6B1 LEU 487 HG -0.01 0.01 -0.48 -0.04 1.64 1.11 2gk6B1 LEU 487 HD13 -0.04 0.00 -0.07 -0.04 0.93 0.79 2gk6B1 LEU 487 HD23 -0.05 -0.01 -0.14 -0.04 0.89 0.65 2gk6B1 SER 488 H -0.01 0.46 0.31 -0.55 8.46 8.68 2gk6B1 SER 488 HA -0.03 0.14 0.80 -0.75 4.49 4.64 2gk6B1 SER 488 HB2 -0.01 -0.05 -0.04 -0.04 3.95 3.81 2gk6B1 SER 488 HB3 -0.03 0.01 0.00 -0.04 3.93 3.87 2gk6B1 LEU 489 H -0.08 0.27 0.14 -0.55 8.37 8.15 2gk6B1 LEU 489 HA -0.07 0.29 1.02 -0.75 4.35 4.84 2gk6B1 LEU 489 HB2 -0.28 -0.01 -0.03 -0.04 1.64 1.28 2gk6B1 LEU 489 HB3 -0.86 -0.07 -0.03 -0.04 1.64 0.63 2gk6B1 LEU 489 HG -0.27 0.06 -0.20 -0.04 1.64 1.19 2gk6B1 LEU 489 HD13 -0.91 -0.01 -0.10 -0.04 0.93 -0.13 2gk6B1 LEU 489 HD23 -0.28 -0.02 -0.32 -0.04 0.89 0.24 2gk6B1 ILE 490 H 0.20 0.62 0.35 -0.55 8.25 8.88 2gk6B1 ILE 490 HA 0.11 0.30 0.98 -0.75 4.18 4.80 2gk6B1 ILE 490 HB 0.10 -0.10 0.15 -0.04 1.89 2.00 2gk6B1 ILE 490 HG12 0.03 0.04 -0.03 -0.04 1.49 1.49 2gk6B1 ILE 490 HG13 0.04 0.00 -0.40 -0.04 1.21 0.80 2gk6B1 ILE 490 HG23 0.07 -0.01 -0.16 -0.04 0.93 0.79 2gk6B1 ILE 490 HD13 0.03 -0.00 -0.18 -0.04 0.88 0.70 2gk6B1 GLN 491 H 0.19 0.53 0.07 -0.55 8.47 8.71 2gk6B1 GLN 491 HA 0.23 0.13 0.87 -0.75 4.36 4.83 2gk6B1 GLN 491 HB2 0.39 -0.01 -0.05 -0.04 2.15 2.44 2gk6B1 GLN 491 HB3 0.20 0.04 -0.02 -0.04 2.02 2.20 2gk6B1 GLN 491 HG2 0.13 0.04 -0.26 -0.04 2.40 2.27 2gk6B1 GLN 491 HG3 0.23 -0.21 0.02 -0.04 2.39 2.38 2gk6B1 GLN 491 HE21 0.02 0.14 -0.05 -0.04 6.97 7.03 2gk6B1 GLN 491 HE22 -0.03 -0.25 -0.05 -0.04 7.69 7.32 2gk6B1 GLY 492 H 0.03 0.63 0.29 -0.55 8.43 8.84 2gk6B1 GLY 492 HA2 0.01 0.22 0.91 -0.51 4.01 4.63 2gk6B1 GLY 492 HA3 0.01 -0.15 0.27 -0.51 4.01 3.63 2gk6B1 PRO 493 HA -0.14 0.04 0.42 -0.51 4.44 4.25 2gk6B1 PRO 493 HB2 -0.35 0.05 -0.13 -0.04 2.28 1.81 2gk6B1 PRO 493 HB3 -1.02 0.05 0.02 -0.04 2.02 1.03 2gk6B1 PRO 493 HG2 -0.35 0.13 -0.01 -0.04 2.03 1.76 2gk6B1 PRO 493 HG3 -0.48 -0.01 -0.04 -0.04 2.03 1.46 2gk6B1 PRO 493 HD2 -0.09 0.38 0.21 -0.04 3.68 4.14 2gk6B1 PRO 493 HD3 -0.03 0.09 -0.24 -0.04 3.65 3.44 2gk6B1 PRO 494 HA -0.03 -0.08 0.41 -0.51 4.44 4.23 2gk6B1 PRO 494 HB2 -0.04 0.04 0.09 -0.04 2.28 2.33 2gk6B1 PRO 494 HB3 -0.02 0.18 0.08 -0.04 2.02 2.22 2gk6B1 PRO 494 HG2 0.01 0.11 0.00 -0.04 2.03 2.11 2gk6B1 PRO 494 HG3 -0.01 -0.01 0.03 -0.04 2.03 2.01 2gk6B1 PRO 494 HD2 -0.19 0.14 0.09 -0.04 3.68 3.68 2gk6B1 PRO 494 HD3 -0.01 0.07 0.11 -0.04 3.65 3.78 2gk6B1 GLY 495 H -0.01 0.07 0.18 -0.55 8.43 8.13 2gk6B1 GLY 495 HA2 0.02 -0.01 0.31 -0.51 4.01 3.83 2gk6B1 GLY 495 HA3 0.02 0.08 0.32 -0.51 4.01 3.92 2gk6B1 THR 496 H 0.00 0.30 -0.14 -0.55 8.28 7.90 2gk6B1 THR 496 HA 0.12 0.42 0.55 -0.75 4.39 4.72 2gk6B1 THR 496 HB 0.02 -0.14 -0.13 -0.04 4.32 4.03 2gk6B1 THR 496 HG23 -0.09 0.07 -0.54 -0.04 1.22 0.62 2gk6B1 GLY 497 H 0.04 -0.02 -0.23 -0.55 8.43 7.68 2gk6B1 GLY 497 HA2 -0.02 -0.02 0.26 -0.51 4.01 3.72 2gk6B1 GLY 497 HA3 0.01 0.24 0.61 -0.51 4.01 4.36 2gk6B1 LYS 498 H 0.01 0.08 0.03 -0.55 8.42 7.99 2gk6B1 LYS 498 HA 0.02 0.19 0.51 -0.75 4.32 4.28 2gk6B1 LYS 498 HB2 -0.00 -0.05 0.14 -0.04 1.87 1.92 2gk6B1 LYS 498 HB3 0.00 -0.01 -0.02 -0.04 1.79 1.72 2gk6B1 LYS 498 HG2 0.02 0.06 0.01 -0.04 1.46 1.51 2gk6B1 LYS 498 HG3 0.01 -0.00 0.01 -0.04 1.46 1.43 2gk6B1 LYS 498 HD2 -0.02 -0.16 -0.01 -0.04 1.69 1.46 2gk6B1 LYS 498 HD3 -0.02 0.20 0.08 -0.04 1.68 1.90 2gk6B1 LYS 498 HE2 -0.01 -0.09 0.02 -0.04 2.99 2.87 2gk6B1 LYS 498 HE3 -0.03 -0.01 -0.02 -0.04 2.99 2.89 2gk6B1 THR 499 H -0.00 0.08 -0.05 -0.55 8.28 7.76 2gk6B1 THR 499 HA -0.00 0.13 0.45 -0.75 4.39 4.22 2gk6B1 THR 499 HB -0.01 0.04 -0.05 -0.04 4.32 4.26 2gk6B1 THR 499 HG23 -0.01 0.03 -0.16 -0.04 1.22 1.04 2gk6B1 VAL 500 H -0.02 -0.02 -0.20 -0.55 8.24 7.45 2gk6B1 VAL 500 HA -0.03 0.18 0.54 -0.75 4.13 4.06 2gk6B1 VAL 500 HB -0.05 -0.07 0.04 -0.04 2.12 1.99 2gk6B1 VAL 500 HG13 -0.06 0.03 -0.18 -0.04 0.97 0.72 2gk6B1 VAL 500 HG23 -0.08 0.01 0.00 -0.04 0.95 0.85 2gk6B1 THR 501 H 0.00 0.33 -0.38 -0.55 8.28 7.68 2gk6B1 THR 501 HA 0.02 0.08 0.40 -0.75 4.39 4.14 2gk6B1 THR 501 HB 0.03 0.03 0.15 -0.04 4.32 4.48 2gk6B1 THR 501 HG23 0.04 -0.01 -0.09 -0.04 1.22 1.12 2gk6B1 SER 502 H 0.02 0.56 -0.06 -0.55 8.46 8.42 2gk6B1 SER 502 HA 0.03 0.04 0.38 -0.75 4.49 4.18 2gk6B1 SER 502 HB2 0.01 -0.01 0.15 -0.04 3.95 4.05 2gk6B1 SER 502 HB3 0.01 0.00 -0.07 -0.04 3.93 3.83 2gk6B1 ALA 503 H 0.00 0.45 -0.38 -0.55 8.40 7.93 2gk6B1 ALA 503 HA 0.01 0.02 0.25 -0.75 4.34 3.87 2gk6B1 ALA 503 HB3 -0.01 0.04 -0.07 -0.04 1.41 1.33 2gk6B1 THR 504 H 0.01 0.28 -0.46 -0.55 8.28 7.57 2gk6B1 THR 504 HA -0.04 0.06 0.47 -0.75 4.39 4.13 2gk6B1 THR 504 HB 0.07 0.05 0.14 -0.04 4.32 4.54 2gk6B1 THR 504 HG23 0.12 -0.05 -0.04 -0.04 1.22 1.22 2gk6B1 ILE 505 H 0.07 0.55 -0.06 -0.55 8.25 8.25 2gk6B1 ILE 505 HA 0.20 0.05 0.39 -0.75 4.18 4.06 2gk6B1 ILE 505 HB 0.06 0.08 0.12 -0.04 1.89 2.10 2gk6B1 ILE 505 HG12 0.08 0.02 -0.03 -0.04 1.49 1.52 2gk6B1 ILE 505 HG13 0.09 0.01 0.01 -0.04 1.21 1.28 2gk6B1 ILE 505 HG23 0.06 -0.00 -0.22 -0.04 0.93 0.72 2gk6B1 ILE 505 HD13 0.04 -0.04 -0.22 -0.04 0.88 0.62 2gk6B1 VAL 506 H 0.05 0.51 -0.21 -0.55 8.24 8.04 2gk6B1 VAL 506 HA 0.03 0.02 0.29 -0.75 4.13 3.71 2gk6B1 VAL 506 HB 0.03 0.10 0.02 -0.04 2.12 2.22 2gk6B1 VAL 506 HG13 0.01 -0.00 -0.21 -0.04 0.97 0.73 2gk6B1 VAL 506 HG23 0.01 0.01 -0.08 -0.04 0.95 0.84 2gk6B1 TYR 507 H 0.08 0.36 -0.38 -0.55 8.29 7.80 2gk6B1 TYR 507 HA -0.08 0.02 0.38 -0.75 4.56 4.12 2gk6B1 TYR 507 HB2 -0.14 0.04 0.15 -0.04 3.06 3.07 2gk6B1 TYR 507 HB3 -0.35 0.19 0.22 -0.04 2.98 3.00 2gk6B1 TYR 507 HD2 -0.53 0.03 -0.02 -0.04 7.15 6.59 2gk6B1 TYR 507 HE2 -0.07 0.09 0.04 -0.04 6.85 6.87 2gk6B1 HIS 508 H -0.03 0.43 -0.12 -0.55 8.41 8.14 2gk6B1 HIS 508 HA -0.17 0.03 0.38 -0.75 4.63 4.12 2gk6B1 HIS 508 HB2 0.06 0.07 0.10 -0.04 3.26 3.45 2gk6B1 HIS 508 HB3 -0.00 -0.00 0.02 -0.04 3.20 3.17 2gk6B1 HIS 508 HD2 0.17 -0.07 -0.08 -0.04 6.97 6.94 2gk6B1 HIS 508 HE1 0.10 0.07 0.01 -0.04 7.75 7.89 2gk6B1 LEU 509 H 0.06 0.44 -0.18 -0.55 8.37 8.14 2gk6B1 LEU 509 HA 0.02 0.02 0.46 -0.75 4.35 4.09 2gk6B1 LEU 509 HB2 0.02 0.05 0.05 -0.04 1.64 1.72 2gk6B1 LEU 509 HB3 0.02 -0.05 -0.01 -0.04 1.64 1.55 2gk6B1 LEU 509 HG 0.07 0.13 -0.02 -0.04 1.64 1.78 2gk6B1 LEU 509 HD13 0.03 -0.05 -0.22 -0.04 0.93 0.66 2gk6B1 LEU 509 HD23 0.03 -0.01 -0.06 -0.04 0.89 0.81 2gk6B1 ALA 510 H -0.07 0.44 -0.30 -0.55 8.40 7.92 2gk6B1 ALA 510 HA -0.04 0.16 0.70 -0.75 4.34 4.41 2gk6B1 ALA 510 HB3 -0.08 -0.01 0.13 -0.04 1.41 1.41 2gk6B1 ARG 511 H -0.17 0.25 -0.29 -0.55 8.46 7.70 2gk6B1 ARG 511 HA -0.14 0.07 0.52 -0.75 4.34 4.03 2gk6B1 ARG 511 HB2 -0.20 0.10 0.17 -0.04 1.90 1.93 2gk6B1 ARG 511 HB3 -0.14 -0.11 0.22 -0.04 1.80 1.72 2gk6B1 ARG 511 HG2 -0.43 0.00 -0.02 -0.04 1.67 1.18 2gk6B1 ARG 511 HG3 -1.02 0.06 -0.02 -0.04 1.67 0.65 2gk6B1 ARG 511 HD2 -0.15 -0.03 0.04 -0.04 3.22 3.04 2gk6B1 ARG 511 HD3 -0.30 -0.03 0.01 -0.04 3.22 2.86 2gk6B1 GLN 512 H -0.05 0.30 -0.72 -0.55 8.47 7.45 2gk6B1 GLN 512 HA -0.03 0.10 0.88 -0.75 4.36 4.55 2gk6B1 GLN 512 HB2 -0.02 0.03 -0.01 -0.04 2.15 2.11 2gk6B1 GLN 512 HB3 -0.02 -0.15 0.11 -0.04 2.02 1.92 2gk6B1 GLN 512 HG2 -0.03 0.04 -0.36 -0.04 2.40 2.01 2gk6B1 GLN 512 HG3 -0.01 0.15 0.02 -0.04 2.39 2.51 2gk6B1 GLN 512 HE21 -0.01 -0.09 -0.11 -0.04 6.97 6.72 2gk6B1 GLN 512 HE22 -0.02 0.11 -0.06 -0.04 7.69 7.68 2gk6B1 GLY 513 H -0.02 0.06 0.11 -0.55 8.43 8.03 2gk6B1 GLY 513 HA2 -0.02 0.14 0.23 -0.51 4.01 3.85 2gk6B1 GLY 513 HA3 -0.02 -0.08 0.40 -0.51 4.01 3.80 2gk6B1 ASN 514 H -0.01 0.66 -0.22 -0.55 8.53 8.41 2gk6B1 ASN 514 HA -0.01 0.07 0.85 -0.75 4.76 4.92 2gk6B1 ASN 514 HB2 -0.00 0.12 -0.05 -0.04 2.88 2.92 2gk6B1 ASN 514 HB3 0.00 -0.12 0.11 -0.04 2.79 2.74 2gk6B1 ASN 514 HD21 -0.01 -0.05 -0.10 -0.04 7.03 6.84 2gk6B1 ASN 514 HD22 -0.00 0.08 -0.09 -0.04 7.74 7.68 2gk6B1 GLY 515 H -0.01 -0.05 0.15 -0.55 8.43 7.98 2gk6B1 GLY 515 HA2 -0.00 0.08 0.29 -0.51 4.01 3.86 2gk6B1 GLY 515 HA3 -0.01 -0.01 0.43 -0.51 4.01 3.92 2gk6B1 PRO 516 HA 0.05 0.24 0.59 -0.51 4.44 4.81 2gk6B1 PRO 516 HB2 0.27 -0.11 -0.16 -0.04 2.28 2.24 2gk6B1 PRO 516 HB3 0.09 0.02 -0.25 -0.04 2.02 1.84 2gk6B1 PRO 516 HG2 0.08 -0.02 0.07 -0.04 2.03 2.12 2gk6B1 PRO 516 HG3 0.04 0.26 0.06 -0.04 2.03 2.35 2gk6B1 PRO 516 HD2 0.00 0.03 0.25 -0.04 3.68 3.93 2gk6B1 PRO 516 HD3 0.00 0.10 0.26 -0.04 3.65 3.97 2gk6B1 VAL 517 H 0.04 0.59 0.30 -0.55 8.24 8.63 2gk6B1 VAL 517 HA 0.06 0.09 0.73 -0.75 4.13 4.26 2gk6B1 VAL 517 HB -0.01 -0.06 0.15 -0.04 2.12 2.17 2gk6B1 VAL 517 HG13 -0.01 -0.03 -0.23 -0.04 0.97 0.66 2gk6B1 VAL 517 HG23 0.01 0.04 -0.08 -0.04 0.95 0.88 2gk6B1 LEU 518 H -0.08 0.48 0.28 -0.55 8.37 8.50 2gk6B1 LEU 518 HA -0.37 0.15 0.89 -0.75 4.35 4.26 2gk6B1 LEU 518 HB2 -1.36 0.08 0.02 -0.04 1.64 0.34 2gk6B1 LEU 518 HB3 -0.31 -0.00 0.14 -0.04 1.64 1.43 2gk6B1 LEU 518 HG -0.29 -0.11 -0.24 -0.04 1.64 0.97 2gk6B1 LEU 518 HD13 -0.60 0.02 -0.03 -0.04 0.93 0.28 2gk6B1 LEU 518 HD23 -0.33 -0.00 -0.06 -0.04 0.89 0.46 2gk6B1 VAL 519 H -0.17 0.66 0.34 -0.55 8.24 8.52 2gk6B1 VAL 519 HA -0.07 0.23 1.00 -0.75 4.13 4.54 2gk6B1 VAL 519 HB -0.06 0.00 0.06 -0.04 2.12 2.08 2gk6B1 VAL 519 HG13 -0.03 -0.04 -0.16 -0.04 0.97 0.70 2gk6B1 VAL 519 HG23 -0.04 0.01 -0.31 -0.04 0.95 0.57 2gk6B1 CYS 520 H -0.06 0.57 0.40 -0.55 8.50 8.86 2gk6B1 CYS 520 HA -0.06 0.43 1.10 -0.75 4.58 5.29 2gk6B1 CYS 520 HB2 -0.06 -0.04 -0.05 -0.04 2.97 2.78 2gk6B1 CYS 520 HB3 -0.06 -0.20 -0.22 -0.04 2.97 2.45 2gk6B1 ALA 521 H -0.04 0.36 0.32 -0.55 8.40 8.49 2gk6B1 ALA 521 HA -0.03 0.26 0.36 -0.75 4.34 4.19 2gk6B1 ALA 521 HB3 -0.03 0.00 -0.09 -0.04 1.41 1.26 2gk6B1 PRO 522 HA -0.03 -0.07 0.43 -0.51 4.44 4.26 2gk6B1 PRO 522 HB2 -0.02 0.03 0.03 -0.04 2.28 2.28 2gk6B1 PRO 522 HB3 -0.02 0.03 0.02 -0.04 2.02 2.01 2gk6B1 PRO 522 HG2 -0.02 0.18 0.03 -0.04 2.03 2.18 2gk6B1 PRO 522 HG3 -0.02 -0.03 0.01 -0.04 2.03 1.94 2gk6B1 PRO 522 HD2 -0.02 0.04 0.20 -0.04 3.68 3.86 2gk6B1 PRO 522 HD3 -0.02 0.34 0.13 -0.04 3.65 4.06 2gk6B1 SER 523 H -0.02 0.12 -0.08 -0.55 8.46 7.93 2gk6B1 SER 523 HA -0.03 0.23 0.84 -0.75 4.49 4.79 2gk6B1 SER 523 HB2 -0.02 -0.01 0.12 -0.04 3.95 4.00 2gk6B1 SER 523 HB3 -0.02 0.14 0.04 -0.04 3.93 4.05 2gk6B1 ASN 524 H -0.02 0.24 0.18 -0.55 8.53 8.38 2gk6B1 ASN 524 HA -0.03 0.11 0.47 -0.75 4.76 4.55 2gk6B1 ASN 524 HB2 -0.02 0.03 0.12 -0.04 2.88 2.96 2gk6B1 ASN 524 HB3 -0.02 0.09 0.01 -0.04 2.79 2.82 2gk6B1 ASN 524 HD21 -0.03 -0.03 0.05 -0.04 7.03 6.97 2gk6B1 ASN 524 HD22 -0.03 0.05 0.07 -0.04 7.74 7.80 2gk6B1 ILE 525 H -0.02 0.07 -0.20 -0.55 8.25 7.55 2gk6B1 ILE 525 HA -0.01 0.15 0.50 -0.75 4.18 4.06 2gk6B1 ILE 525 HB -0.01 -0.08 0.09 -0.04 1.89 1.84 2gk6B1 ILE 525 HG12 -0.01 -0.09 0.01 -0.04 1.49 1.35 2gk6B1 ILE 525 HG13 -0.02 0.09 0.03 -0.04 1.21 1.27 2gk6B1 ILE 525 HG23 -0.01 0.04 -0.17 -0.04 0.93 0.75 2gk6B1 ILE 525 HD13 -0.01 0.03 0.02 -0.04 0.88 0.87 2gk6B1 ALA 526 H -0.02 0.05 -0.16 -0.55 8.40 7.72 2gk6B1 ALA 526 HA -0.01 0.09 0.34 -0.75 4.34 4.01 2gk6B1 ALA 526 HB3 -0.02 0.02 0.02 -0.04 1.41 1.39 2gk6B1 VAL 527 H -0.02 0.32 -0.45 -0.55 8.24 7.54 2gk6B1 VAL 527 HA -0.03 0.09 0.32 -0.75 4.13 3.76 2gk6B1 VAL 527 HB -0.03 0.03 -0.07 -0.04 2.12 2.01 2gk6B1 VAL 527 HG13 -0.04 0.01 -0.39 -0.04 0.97 0.50 2gk6B1 VAL 527 HG23 -0.04 0.02 -0.22 -0.04 0.95 0.67 2gk6B1 ASP 528 H -0.02 0.39 -0.23 -0.55 8.40 7.99 2gk6B1 ASP 528 HA -0.03 0.05 0.41 -0.75 4.63 4.31 2gk6B1 ASP 528 HB2 -0.01 0.15 0.16 -0.04 2.71 2.97 2gk6B1 ASP 528 HB3 -0.01 -0.09 -0.00 -0.04 2.70 2.56 2gk6B1 GLN 529 H -0.01 0.41 -0.26 -0.55 8.47 8.07 2gk6B1 GLN 529 HA -0.00 0.06 0.34 -0.75 4.36 4.01 2gk6B1 GLN 529 HB2 -0.01 0.07 0.07 -0.04 2.15 2.24 2gk6B1 GLN 529 HB3 -0.01 -0.05 -0.04 -0.04 2.02 1.89 2gk6B1 GLN 529 HG2 -0.00 0.00 0.00 -0.04 2.40 2.36 2gk6B1 GLN 529 HG3 -0.01 0.13 0.03 -0.04 2.39 2.51 2gk6B1 GLN 529 HE21 0.00 0.14 0.01 -0.04 6.97 7.08 2gk6B1 GLN 529 HE22 0.00 -0.00 -0.01 -0.04 7.69 7.63 2gk6B1 LEU 530 H -0.02 0.36 -0.27 -0.55 8.37 7.90 2gk6B1 LEU 530 HA -0.01 0.04 0.48 -0.75 4.35 4.10 2gk6B1 LEU 530 HB2 -0.01 -0.00 0.06 -0.04 1.64 1.64 2gk6B1 LEU 530 HB3 -0.02 0.11 0.00 -0.04 1.64 1.69 2gk6B1 LEU 530 HG -0.02 0.07 -0.19 -0.04 1.64 1.46 2gk6B1 LEU 530 HD13 -0.00 -0.03 -0.05 -0.04 0.93 0.80 2gk6B1 LEU 530 HD23 -0.01 -0.01 -0.11 -0.04 0.89 0.72 2gk6B1 THR 531 H -0.02 0.55 -0.26 -0.55 8.28 8.00 2gk6B1 THR 531 HA -0.03 0.04 0.33 -0.75 4.39 3.98 2gk6B1 THR 531 HB -0.05 0.10 0.14 -0.04 4.32 4.47 2gk6B1 THR 531 HG23 -0.11 -0.01 -0.19 -0.04 1.22 0.86 2gk6B1 GLU 532 H -0.00 0.46 -0.31 -0.55 8.60 8.20 2gk6B1 GLU 532 HA 0.05 0.04 0.35 -0.75 4.29 3.98 2gk6B1 GLU 532 HB2 0.02 0.02 0.06 -0.04 2.09 2.15 2gk6B1 GLU 532 HB3 0.02 0.09 0.07 -0.04 1.99 2.14 2gk6B1 GLU 532 HG2 0.06 0.02 -0.14 -0.04 2.34 2.24 2gk6B1 GLU 532 HG3 0.08 -0.00 -0.02 -0.04 2.34 2.36 2gk6B1 LYS 533 H 0.01 0.34 -0.22 -0.55 8.42 7.99 2gk6B1 LYS 533 HA 0.01 0.07 0.39 -0.75 4.32 4.03 2gk6B1 LYS 533 HB2 -0.00 0.07 0.08 -0.04 1.87 1.98 2gk6B1 LYS 533 HB3 -0.02 -0.02 -0.01 -0.04 1.79 1.71 2gk6B1 LYS 533 HG2 -0.00 0.03 0.03 -0.04 1.46 1.47 2gk6B1 LYS 533 HG3 -0.01 -0.08 -0.09 -0.04 1.46 1.24 2gk6B1 LYS 533 HD2 -0.03 -0.07 -0.10 -0.04 1.69 1.45 2gk6B1 LYS 533 HD3 -0.02 0.07 -0.02 -0.04 1.68 1.66 2gk6B1 LYS 533 HE2 -0.03 0.01 -0.04 -0.04 2.99 2.89 2gk6B1 LYS 533 HE3 -0.01 0.05 -0.05 -0.04 2.99 2.93 2gk6B1 ILE 534 H 0.02 0.50 -0.20 -0.55 8.25 8.02 2gk6B1 ILE 534 HA 0.02 0.08 0.42 -0.75 4.18 3.94 2gk6B1 ILE 534 HB 0.02 0.07 0.01 -0.04 1.89 1.94 2gk6B1 ILE 534 HG12 0.00 0.29 0.01 -0.04 1.49 1.75 2gk6B1 ILE 534 HG13 -0.00 -0.05 -0.14 -0.04 1.21 0.97 2gk6B1 ILE 534 HG23 0.02 -0.00 -0.22 -0.04 0.93 0.69 2gk6B1 ILE 534 HD13 0.01 -0.02 -0.06 -0.04 0.88 0.77 2gk6B1 HIS 535 H 0.12 0.36 -0.37 -0.55 8.41 7.97 2gk6B1 HIS 535 HA 0.01 0.11 0.38 -0.75 4.63 4.37 2gk6B1 HIS 535 HB2 -0.03 0.01 0.08 -0.04 3.26 3.28 2gk6B1 HIS 535 HB3 0.03 0.13 0.12 -0.04 3.20 3.44 2gk6B1 HIS 535 HD2 0.17 0.01 -0.10 -0.04 6.97 7.00 2gk6B1 HIS 535 HE1 0.27 -0.01 -0.01 -0.04 7.75 7.96 2gk6B1 GLN 536 H 0.04 0.30 -0.34 -0.55 8.47 7.93 2gk6B1 GLN 536 HA -0.09 -0.01 0.36 -0.75 4.36 3.86 2gk6B1 GLN 536 HB2 -0.02 0.15 0.08 -0.04 2.15 2.32 2gk6B1 GLN 536 HB3 -0.04 0.07 0.08 -0.04 2.02 2.08 2gk6B1 GLN 536 HG2 0.02 -0.08 0.04 -0.04 2.40 2.35 2gk6B1 GLN 536 HG3 0.07 0.21 0.07 -0.04 2.39 2.70 2gk6B1 GLN 536 HE21 0.01 -0.09 -0.08 -0.04 6.97 6.77 2gk6B1 GLN 536 HE22 0.05 -0.00 -0.12 -0.04 7.69 7.58 2gk6B1 THR 537 H -0.04 0.30 -0.59 -0.55 8.28 7.40 2gk6B1 THR 537 HA -0.13 0.29 0.55 -0.75 4.39 4.34 2gk6B1 THR 537 HB -0.28 -0.10 0.17 -0.04 4.32 4.06 2gk6B1 THR 537 HG23 -0.13 0.06 -0.05 -0.04 1.22 1.06 2gk6B1 GLY 538 H -0.11 0.42 -0.33 -0.55 8.43 7.87 2gk6B1 GLY 538 HA2 -0.07 -0.01 0.29 -0.51 4.01 3.71 2gk6B1 GLY 538 HA3 -0.00 0.04 0.52 -0.51 4.01 4.06 2gk6B1 LEU 539 H 0.03 0.10 -0.33 -0.55 8.37 7.62 2gk6B1 LEU 539 HA 0.02 0.10 0.46 -0.75 4.35 4.18 2gk6B1 LEU 539 HB2 0.04 0.05 -0.11 -0.04 1.64 1.58 2gk6B1 LEU 539 HB3 0.02 -0.04 -0.06 -0.04 1.64 1.52 2gk6B1 LEU 539 HG 0.16 0.01 -0.09 -0.04 1.64 1.68 2gk6B1 LEU 539 HD13 0.03 0.00 -0.08 -0.04 0.93 0.84 2gk6B1 LEU 539 HD23 -0.07 0.02 -0.05 -0.04 0.89 0.74 2gk6B1 LYS 540 H 0.01 0.15 0.16 -0.55 8.42 8.20 2gk6B1 LYS 540 HA 0.04 0.13 0.78 -0.75 4.32 4.52 2gk6B1 LYS 540 HB2 0.01 0.04 0.18 -0.04 1.87 2.06 2gk6B1 LYS 540 HB3 0.01 -0.12 0.28 -0.04 1.79 1.92 2gk6B1 LYS 540 HG2 0.01 0.03 -0.01 -0.04 1.46 1.45 2gk6B1 LYS 540 HG3 0.03 0.01 0.08 -0.04 1.46 1.53 2gk6B1 LYS 540 HD2 0.02 -0.05 0.01 -0.04 1.69 1.63 2gk6B1 LYS 540 HD3 0.01 -0.01 0.03 -0.04 1.68 1.67 2gk6B1 LYS 540 HE2 0.00 0.10 0.01 -0.04 2.99 3.07 2gk6B1 LYS 540 HE3 0.01 -0.08 0.02 -0.04 2.99 2.89 2gk6B1 VAL 541 H 0.03 0.23 0.15 -0.55 8.24 8.10 2gk6B1 VAL 541 HA -0.01 0.24 0.92 -0.75 4.13 4.53 2gk6B1 VAL 541 HB -0.06 -0.04 -0.06 -0.04 2.12 1.92 2gk6B1 VAL 541 HG13 -0.04 -0.01 -0.21 -0.04 0.97 0.66 2gk6B1 VAL 541 HG23 0.05 0.04 -0.34 -0.04 0.95 0.66 2gk6B1 VAL 542 H -0.04 0.56 0.29 -0.55 8.24 8.50 2gk6B1 VAL 542 HA -0.09 0.30 0.89 -0.75 4.13 4.47 2gk6B1 VAL 542 HB -0.03 0.03 0.18 -0.04 2.12 2.26 2gk6B1 VAL 542 HG13 -0.04 -0.03 -0.21 -0.04 0.97 0.65 2gk6B1 VAL 542 HG23 -0.03 0.04 -0.18 -0.04 0.95 0.74 2gk6B1 ARG 543 H -0.12 0.61 -0.02 -0.55 8.46 8.37 2gk6B1 ARG 543 HA -0.07 0.20 0.85 -0.75 4.34 4.56 2gk6B1 ARG 543 HB2 -0.14 0.03 -0.18 -0.04 1.90 1.56 2gk6B1 ARG 543 HB3 -0.10 -0.12 -0.08 -0.04 1.80 1.45 2gk6B1 ARG 543 HG2 -0.07 0.03 -0.11 -0.04 1.67 1.48 2gk6B1 ARG 543 HG3 -0.08 -0.04 -0.13 -0.04 1.67 1.38 2gk6B1 ARG 543 HD2 -0.04 -0.11 -0.43 -0.04 3.22 2.60 2gk6B1 ARG 543 HD3 -0.05 0.24 -0.19 -0.04 3.22 3.18 2gk6B1 LEU 544 H -0.05 0.70 0.23 -0.55 8.37 8.71 2gk6B1 LEU 544 HA -0.01 -0.02 0.78 -0.75 4.35 4.35 2gk6B1 LEU 544 HB2 -0.02 0.08 -0.01 -0.04 1.64 1.64 2gk6B1 LEU 544 HB3 -0.03 0.01 0.11 -0.04 1.64 1.68 2gk6B1 LEU 544 HG -0.01 -0.06 -0.18 -0.04 1.64 1.35 2gk6B1 LEU 544 HD13 0.00 -0.02 -0.05 -0.04 0.93 0.83 2gk6B1 LEU 544 HD23 -0.01 0.02 -0.09 -0.04 0.89 0.78 2gk6B1 CYS 545 H 0.04 0.14 0.18 -0.55 8.50 8.31 2gk6B1 CYS 545 HA -0.01 0.10 0.77 -0.75 4.58 4.69 2gk6B1 CYS 545 HB2 0.14 -0.05 0.03 -0.04 2.97 3.04 2gk6B1 CYS 545 HB3 0.02 0.08 -0.22 -0.04 2.97 2.80 2gk6B1 ALA 546 H -0.03 0.10 0.10 -0.55 8.40 8.03 2gk6B1 ALA 546 HA -0.03 0.12 0.50 -0.75 4.34 4.17 2gk6B1 ALA 546 HB3 -0.05 -0.00 0.09 -0.04 1.41 1.41 2gk6B1 LYS 547 H -0.04 0.15 0.18 -0.55 8.42 8.15 2gk6B1 LYS 547 HA -0.07 0.13 0.25 -0.75 4.32 3.87 2gk6B1 LYS 547 HB2 -0.04 -0.08 0.14 -0.04 1.87 1.86 2gk6B1 LYS 547 HB3 -0.04 0.08 0.03 -0.04 1.79 1.82 2gk6B1 LYS 547 HG2 -0.02 0.04 0.06 -0.04 1.46 1.50 2gk6B1 LYS 547 HG3 -0.02 0.06 0.09 -0.04 1.46 1.54 2gk6B1 LYS 547 HD2 -0.02 0.01 0.14 -0.04 1.69 1.77 2gk6B1 LYS 547 HD3 -0.03 -0.06 0.12 -0.04 1.68 1.66 2gk6B1 LYS 547 HE2 -0.02 -0.01 0.05 -0.04 2.99 2.98 2gk6B1 LYS 547 HE3 -0.01 0.03 0.04 -0.04 2.99 3.01 2gk6B1 SER 548 H -0.06 -0.02 -0.22 -0.55 8.46 7.61 2gk6B1 SER 548 HA -0.10 0.14 0.52 -0.75 4.49 4.29 2gk6B1 SER 548 HB2 -0.08 0.15 0.06 -0.04 3.95 4.04 2gk6B1 SER 548 HB3 -0.05 -0.06 0.07 -0.04 3.93 3.85 2gk6B1 ARG 549 H -0.08 -0.01 -0.17 -0.55 8.46 7.65 2gk6B1 ARG 549 HA -0.12 0.19 0.47 -0.75 4.34 4.13 2gk6B1 ARG 549 HB2 -0.05 -0.08 0.04 -0.04 1.90 1.77 2gk6B1 ARG 549 HB3 -0.04 0.02 0.02 -0.04 1.80 1.76 2gk6B1 ARG 549 HG2 -0.06 -0.06 -0.03 -0.04 1.67 1.48 2gk6B1 ARG 549 HG3 -0.05 -0.11 0.03 -0.04 1.67 1.50 2gk6B1 ARG 549 HD2 -0.03 0.05 0.02 -0.04 3.22 3.21 2gk6B1 ARG 549 HD3 -0.03 -0.07 0.00 -0.04 3.22 3.08 2gk6B1 GLU 550 H -0.14 0.22 -0.64 -0.55 8.60 7.50 2gk6B1 GLU 550 HA -0.16 -0.07 0.18 -0.75 4.29 3.48 2gk6B1 GLU 550 HB2 -0.27 0.19 0.07 -0.04 2.09 2.04 2gk6B1 GLU 550 HB3 -0.86 -0.03 -0.07 -0.04 1.99 0.99 2gk6B1 GLU 550 HG2 -0.23 -0.11 -0.10 -0.04 2.34 1.86 2gk6B1 GLU 550 HG3 -0.14 0.06 -0.33 -0.04 2.34 1.89 2gk6B1 ALA 551 H -0.17 0.16 -0.21 -0.55 8.40 7.64 2gk6B1 ALA 551 HA -0.03 0.01 0.61 -0.75 4.34 4.18 2gk6B1 ALA 551 HB3 -0.07 0.00 0.10 -0.04 1.41 1.40 2gk6B1 ILE 552 H 0.03 0.27 0.22 -0.55 8.25 8.23 2gk6B1 ILE 552 HA 0.01 -0.05 0.35 -0.75 4.18 3.74 2gk6B1 ILE 552 HB -0.03 0.40 -0.39 -0.04 1.89 1.83 2gk6B1 ILE 552 HG12 -0.01 0.06 0.16 -0.04 1.49 1.65 2gk6B1 ILE 552 HG13 -0.01 -0.09 0.00 -0.04 1.21 1.07 2gk6B1 ILE 552 HG23 0.02 -0.05 -0.31 -0.04 0.93 0.55 2gk6B1 ILE 552 HD13 0.01 -0.08 0.06 -0.04 0.88 0.83 2gk6B1 ASP 553 H 0.02 0.18 0.15 -0.55 8.40 8.20 2gk6B1 ASP 553 HA 0.03 0.16 0.99 -0.75 4.63 5.05 2gk6B1 ASP 553 HB2 0.02 -0.04 0.06 -0.04 2.71 2.72 2gk6B1 ASP 553 HB3 0.02 0.02 -0.02 -0.04 2.70 2.68 2gk6B1 SER 554 H 0.03 0.19 0.17 -0.55 8.46 8.31 2gk6B1 SER 554 HA 0.01 0.22 0.66 -0.75 4.49 4.63 2gk6B1 SER 554 HB2 0.01 -0.00 0.08 -0.04 3.95 3.99 2gk6B1 SER 554 HB3 0.01 0.10 -0.15 -0.04 3.93 3.84 2gk6B1 PRO 555 HA 0.05 0.14 0.62 -0.51 4.44 4.74 2gk6B1 PRO 555 HB2 0.04 0.04 -0.02 -0.04 2.28 2.30 2gk6B1 PRO 555 HB3 0.04 0.08 0.10 -0.04 2.02 2.19 2gk6B1 PRO 555 HG2 0.01 0.06 0.04 -0.04 2.03 2.10 2gk6B1 PRO 555 HG3 0.02 0.08 0.06 -0.04 2.03 2.14 2gk6B1 PRO 555 HD2 0.01 0.07 0.17 -0.04 3.68 3.89 2gk6B1 PRO 555 HD3 0.01 0.17 0.16 -0.04 3.65 3.95 2gk6B1 VAL 556 H 0.02 0.07 -0.34 -0.55 8.24 7.45 2gk6B1 VAL 556 HA 0.08 0.26 0.80 -0.75 4.13 4.52 2gk6B1 VAL 556 HB -0.22 0.00 0.07 -0.04 2.12 1.93 2gk6B1 VAL 556 HG13 -0.03 0.02 -0.23 -0.04 0.97 0.69 2gk6B1 VAL 556 HG23 -0.05 -0.01 -0.03 -0.04 0.95 0.83 2gk6B1 SER 557 H 0.11 0.37 -0.30 -0.55 8.46 8.09 2gk6B1 SER 557 HA -0.02 0.10 0.53 -0.75 4.49 4.35 2gk6B1 SER 557 HB2 0.04 0.11 0.10 -0.04 3.95 4.16 2gk6B1 SER 557 HB3 0.04 -0.25 0.21 -0.04 3.93 3.89 2gk6B1 PHE 558 H 0.43 0.13 -0.07 -0.55 8.34 8.28 2gk6B1 PHE 558 HA -0.08 0.11 0.46 -0.75 4.62 4.36 2gk6B1 PHE 558 HB2 -0.06 0.07 0.05 -0.04 3.15 3.17 2gk6B1 PHE 558 HB3 -0.06 -0.02 0.08 -0.04 3.06 3.01 2gk6B1 PHE 558 HD2 -0.09 -0.07 -0.03 -0.04 7.28 7.06 2gk6B1 PHE 558 HE2 -0.18 0.10 0.03 -0.04 7.38 7.29 2gk6B1 PHE 558 HZ -0.78 0.03 -0.02 -0.04 7.32 6.51 2gk6B1 LEU 559 H -0.56 0.04 -0.69 -0.55 8.37 6.62 2gk6B1 LEU 559 HA -0.46 0.22 0.52 -0.75 4.35 3.88 2gk6B1 LEU 559 HB2 -0.54 0.01 -0.00 -0.04 1.64 1.07 2gk6B1 LEU 559 HB3 -0.31 -0.11 -0.13 -0.04 1.64 1.04 2gk6B1 LEU 559 HG -0.35 0.02 -0.10 -0.04 1.64 1.17 2gk6B1 LEU 559 HD13 -0.92 0.02 -0.06 -0.04 0.93 -0.08 2gk6B1 LEU 559 HD23 -0.73 -0.02 -0.09 -0.04 0.89 0.01 2gk6B1 ALA 560 H -0.22 0.22 -0.21 -0.55 8.40 7.63 2gk6B1 ALA 560 HA -0.14 0.22 0.57 -0.75 4.34 4.23 2gk6B1 ALA 560 HB3 -0.33 -0.01 0.14 -0.04 1.41 1.18 2gk6B1 LEU 561 H -0.07 0.45 0.34 -0.55 8.37 8.55 2gk6B1 LEU 561 HA -0.07 0.17 0.44 -0.75 4.35 4.14 2gk6B1 LEU 561 HB2 -0.02 0.08 0.06 -0.04 1.64 1.71 2gk6B1 LEU 561 HB3 0.01 -0.12 0.17 -0.04 1.64 1.66 2gk6B1 LEU 561 HG 0.00 -0.05 -0.20 -0.04 1.64 1.35 2gk6B1 LEU 561 HD13 -0.02 0.03 -0.00 -0.04 0.93 0.90 2gk6B1 LEU 561 HD23 0.00 -0.00 -0.03 -0.04 0.89 0.82 2gk6B1 HIS 562 H 0.02 0.08 -0.04 -0.55 8.41 7.92 2gk6B1 HIS 562 HA -0.01 0.08 0.35 -0.75 4.63 4.29 2gk6B1 HIS 562 HB2 0.01 0.04 0.06 -0.04 3.26 3.33 2gk6B1 HIS 562 HB3 -0.01 -0.03 0.09 -0.04 3.20 3.21 2gk6B1 HIS 562 HD2 0.01 0.01 -0.24 -0.04 6.97 6.70 2gk6B1 HIS 562 HE1 -0.02 0.05 0.06 -0.04 7.75 7.79 2gk6B1 ASN 563 H -0.49 0.15 -0.52 -0.55 8.53 7.12 2gk6B1 ASN 563 HA -0.05 0.09 0.68 -0.75 4.76 4.73 2gk6B1 ASN 563 HB2 -0.25 0.16 0.05 -0.04 2.88 2.80 2gk6B1 ASN 563 HB3 -0.07 0.00 -0.06 -0.04 2.79 2.62 2gk6B1 ASN 563 HD21 0.00 -0.04 0.01 -0.04 7.03 6.97 2gk6B1 ASN 563 HD22 -0.14 0.60 0.07 -0.04 7.74 8.22 2gk6B1 GLN 564 H -0.12 0.54 -0.04 -0.55 8.47 8.31 2gk6B1 GLN 564 HA -0.02 0.07 0.46 -0.75 4.36 4.12 2gk6B1 GLN 564 HB2 -0.06 0.02 0.11 -0.04 2.15 2.19 2gk6B1 GLN 564 HB3 -0.03 -0.06 0.00 -0.04 2.02 1.89 2gk6B1 GLN 564 HG2 -0.04 -0.02 0.08 -0.04 2.40 2.37 2gk6B1 GLN 564 HG3 -0.11 0.19 -0.04 -0.04 2.39 2.39 2gk6B1 GLN 564 HE21 -0.10 0.21 0.23 -0.04 6.97 7.27 2gk6B1 GLN 564 HE22 -0.16 0.20 0.13 -0.04 7.69 7.82 2gk6B1 ILE 565 H -0.03 0.36 -0.41 -0.55 8.25 7.62 2gk6B1 ILE 565 HA -0.01 0.03 0.40 -0.75 4.18 3.85 2gk6B1 ILE 565 HB 0.02 0.11 0.04 -0.04 1.89 2.02 2gk6B1 ILE 565 HG12 -0.02 -0.06 -0.12 -0.04 1.49 1.25 2gk6B1 ILE 565 HG13 -0.01 0.20 -0.04 -0.04 1.21 1.31 2gk6B1 ILE 565 HG23 -0.01 -0.03 -0.14 -0.04 0.93 0.71 2gk6B1 ILE 565 HD13 -0.01 -0.05 -0.08 -0.04 0.88 0.70 2gk6B1 ARG 566 H 0.02 0.25 -0.30 -0.55 8.46 7.88 2gk6B1 ARG 566 HA 0.04 0.02 0.48 -0.75 4.34 4.13 2gk6B1 ARG 566 HB2 0.03 0.14 0.11 -0.04 1.90 2.14 2gk6B1 ARG 566 HB3 0.04 -0.06 0.17 -0.04 1.80 1.91 2gk6B1 ARG 566 HG2 0.08 -0.06 0.04 -0.04 1.67 1.68 2gk6B1 ARG 566 HG3 0.07 0.24 0.16 -0.04 1.67 2.10 2gk6B1 ARG 566 HD2 0.11 -0.05 0.00 -0.04 3.22 3.23 2gk6B1 ARG 566 HD3 0.09 -0.02 0.02 -0.04 3.22 3.27 2gk6B1 ASN 567 H 0.01 0.29 -1.05 -0.55 8.53 7.24 2gk6B1 ASN 567 HA 0.02 0.09 0.72 -0.75 4.76 4.83 2gk6B1 ASN 567 HB2 0.01 0.10 0.07 -0.04 2.88 3.02 2gk6B1 ASN 567 HB3 0.02 -0.09 0.16 -0.04 2.79 2.84 2gk6B1 ASN 567 HD21 0.02 -0.11 -0.11 -0.04 7.03 6.79 2gk6B1 ASN 567 HD22 0.01 0.23 -0.14 -0.04 7.74 7.80 2gk6B1 MET 568 H 0.01 0.25 -0.06 -0.55 8.47 8.13 2gk6B1 MET 568 HA 0.01 0.18 1.01 -0.75 4.52 4.97 2gk6B1 MET 568 HB2 0.00 0.14 0.11 -0.04 2.15 2.37 2gk6B1 MET 568 HB3 0.00 -0.23 -0.08 -0.04 2.03 1.68 2gk6B1 MET 568 HG2 0.00 -0.00 0.02 -0.04 2.63 2.61 2gk6B1 MET 568 HG3 -0.00 0.29 -0.09 -0.04 2.56 2.72 2gk6B1 MET 568 HE3 -0.01 0.04 -0.09 -0.04 2.10 1.99 2gk6B1 ASP 569 H 0.01 0.22 0.14 -0.55 8.40 8.23 2gk6B1 ASP 569 HA 0.01 0.17 0.69 -0.75 4.63 4.74 2gk6B1 ASP 569 HB2 0.01 0.05 0.07 -0.04 2.71 2.80 2gk6B1 ASP 569 HB3 0.01 0.02 0.05 -0.04 2.70 2.73 2gk6B1 SER 570 H 0.00 0.11 -0.01 -0.55 8.46 8.02 2gk6B1 SER 570 HA 0.00 0.11 0.49 -0.75 4.49 4.34 2gk6B1 SER 570 HB2 0.00 0.02 0.09 -0.04 3.95 4.02 2gk6B1 SER 570 HB3 -0.00 0.02 0.03 -0.04 3.93 3.94 2gk6B1 MET 571 H 0.00 0.16 -1.06 -0.55 8.47 7.02 2gk6B1 MET 571 HA 0.00 0.13 0.69 -0.75 4.52 4.59 2gk6B1 MET 571 HB2 0.00 0.09 0.07 -0.04 2.15 2.27 2gk6B1 MET 571 HB3 -0.00 -0.16 0.06 -0.04 2.03 1.88 2gk6B1 MET 571 HG2 -0.01 -0.08 -0.58 -0.04 2.63 1.93 2gk6B1 MET 571 HG3 -0.01 0.03 -0.09 -0.04 2.56 2.45 2gk6B1 MET 571 HE3 -0.01 0.02 -0.07 -0.04 2.10 2.00 2gk6B1 PRO 572 HA 0.01 0.19 0.69 -0.51 4.44 4.83 2gk6B1 PRO 572 HB2 0.01 -0.01 0.03 -0.04 2.28 2.27 2gk6B1 PRO 572 HB3 0.01 0.07 0.10 -0.04 2.02 2.16 2gk6B1 PRO 572 HG2 0.01 0.03 0.06 -0.04 2.03 2.08 2gk6B1 PRO 572 HG3 0.01 0.19 0.06 -0.04 2.03 2.25 2gk6B1 PRO 572 HD2 0.01 0.00 0.12 -0.04 3.68 3.77 2gk6B1 PRO 572 HD3 0.00 0.26 -0.29 -0.04 3.65 3.58 2gk6B1 GLU 573 H 0.01 0.21 0.02 -0.55 8.60 8.30 2gk6B1 GLU 573 HA 0.02 0.08 0.38 -0.75 4.29 4.01 2gk6B1 GLU 573 HB2 0.01 0.03 0.11 -0.04 2.09 2.20 2gk6B1 GLU 573 HB3 0.01 0.03 -0.01 -0.04 1.99 1.98 2gk6B1 GLU 573 HG2 0.03 -0.01 -0.04 -0.04 2.34 2.28 2gk6B1 GLU 573 HG3 0.02 0.00 0.04 -0.04 2.34 2.36 2gk6B1 LEU 574 H 0.02 0.07 -0.52 -0.55 8.37 7.39 2gk6B1 LEU 574 HA 0.05 0.06 0.49 -0.75 4.35 4.19 2gk6B1 LEU 574 HB2 -0.01 -0.04 -0.03 -0.04 1.64 1.51 2gk6B1 LEU 574 HB3 0.01 0.14 -0.01 -0.04 1.64 1.74 2gk6B1 LEU 574 HG 0.01 0.09 -0.24 -0.04 1.64 1.46 2gk6B1 LEU 574 HD13 -0.11 -0.05 -0.01 -0.04 0.93 0.72 2gk6B1 LEU 574 HD23 -0.05 0.03 -0.15 -0.04 0.89 0.68 2gk6B1 GLN 575 H 0.03 0.32 -0.18 -0.55 8.47 8.08 2gk6B1 GLN 575 HA 0.05 0.07 0.44 -0.75 4.36 4.17 2gk6B1 GLN 575 HB2 0.02 0.09 0.26 -0.04 2.15 2.49 2gk6B1 GLN 575 HB3 0.03 -0.04 0.02 -0.04 2.02 1.99 2gk6B1 GLN 575 HG2 0.02 -0.01 0.13 -0.04 2.40 2.50 2gk6B1 GLN 575 HG3 0.02 0.10 0.13 -0.04 2.39 2.60 2gk6B1 GLN 575 HE21 0.03 0.32 0.06 -0.04 6.97 7.33 2gk6B1 GLN 575 HE22 0.04 -0.10 0.05 -0.04 7.69 7.63 2gk6B1 LYS 576 H 0.04 0.37 -0.26 -0.55 8.42 8.01 2gk6B1 LYS 576 HA 0.03 0.12 0.36 -0.75 4.32 4.07 2gk6B1 LYS 576 HB2 0.02 0.00 -0.06 -0.04 1.87 1.79 2gk6B1 LYS 576 HB3 0.02 -0.01 0.03 -0.04 1.79 1.79 2gk6B1 LYS 576 HG2 0.02 0.07 -0.01 -0.04 1.46 1.51 2gk6B1 LYS 576 HG3 0.04 0.17 0.08 -0.04 1.46 1.70 2gk6B1 LYS 576 HD2 0.02 -0.06 0.01 -0.04 1.69 1.62 2gk6B1 LYS 576 HD3 0.02 -0.01 -0.08 -0.04 1.68 1.58 2gk6B1 LYS 576 HE2 0.01 -0.03 -0.03 -0.04 2.99 2.90 2gk6B1 LYS 576 HE3 0.01 0.03 -0.04 -0.04 2.99 2.96 2gk6B1 LEU 577 H 0.07 0.32 -0.21 -0.55 8.37 8.01 2gk6B1 LEU 577 HA 0.03 0.04 0.39 -0.75 4.35 4.06 2gk6B1 LEU 577 HB2 0.19 0.10 0.12 -0.04 1.64 2.00 2gk6B1 LEU 577 HB3 0.17 -0.05 -0.02 -0.04 1.64 1.70 2gk6B1 LEU 577 HG 0.06 0.08 0.05 -0.04 1.64 1.79 2gk6B1 LEU 577 HD13 0.10 -0.00 -0.09 -0.04 0.93 0.90 2gk6B1 LEU 577 HD23 0.04 -0.02 0.00 -0.04 0.89 0.87 2gk6B1 GLN 578 H 0.13 0.49 -0.23 -0.55 8.47 8.31 2gk6B1 GLN 578 HA 0.03 0.01 0.59 -0.75 4.36 4.23 2gk6B1 GLN 578 HB2 0.24 0.02 0.09 -0.04 2.15 2.46 2gk6B1 GLN 578 HB3 0.10 0.16 0.10 -0.04 2.02 2.33 2gk6B1 GLN 578 HG2 0.10 0.03 -0.02 -0.04 2.40 2.47 2gk6B1 GLN 578 HG3 0.07 -0.02 -0.02 -0.04 2.39 2.39 2gk6B1 GLN 578 HE21 0.18 -0.05 0.02 -0.04 6.97 7.08 2gk6B1 GLN 578 HE22 0.07 0.01 0.04 -0.04 7.69 7.77 2gk6B1 GLN 579 H 0.04 0.41 -0.29 -0.55 8.47 8.09 2gk6B1 GLN 579 HA 0.01 0.05 0.57 -0.75 4.36 4.25 2gk6B1 GLN 579 HB2 0.03 0.09 0.13 -0.04 2.15 2.36 2gk6B1 GLN 579 HB3 0.02 -0.02 0.20 -0.04 2.02 2.19 2gk6B1 GLN 579 HG2 0.01 -0.00 0.12 -0.04 2.40 2.48 2gk6B1 GLN 579 HG3 0.02 -0.02 0.05 -0.04 2.39 2.39 2gk6B1 GLN 579 HE21 0.01 -0.06 -0.01 -0.04 6.97 6.86 2gk6B1 GLN 579 HE22 0.02 0.11 -0.04 -0.04 7.69 7.74 2gk6B1 LEU 580 H -0.02 0.08 -0.92 -0.55 8.37 6.97 2gk6B1 LEU 580 HA -0.01 0.13 0.74 -0.75 4.35 4.46 2gk6B1 LEU 580 HB2 -0.00 0.14 0.01 -0.04 1.64 1.75 2gk6B1 LEU 580 HB3 -0.03 -0.01 -0.05 -0.04 1.64 1.51 2gk6B1 LEU 580 HG 0.00 -0.13 -0.03 -0.04 1.64 1.44 2gk6B1 LEU 580 HD13 -0.01 -0.02 0.07 -0.04 0.93 0.92 2gk6B1 LEU 580 HD23 0.00 0.01 0.03 -0.04 0.89 0.89 2gk6B1 LYS 581 H -0.06 0.20 -0.11 -0.55 8.42 7.90 2gk6B1 LYS 581 HA -0.04 0.21 -0.01 -0.75 4.32 3.72 2gk6B1 LYS 581 HB2 -0.11 0.06 0.19 -0.04 1.87 1.96 2gk6B1 LYS 581 HB3 -0.08 -0.04 0.22 -0.04 1.79 1.86 2gk6B1 LYS 581 HG2 -0.11 0.03 0.06 -0.04 1.46 1.39 2gk6B1 LYS 581 HG3 -0.13 0.00 -0.04 -0.04 1.46 1.24 2gk6B1 LYS 581 HD2 -0.38 -0.11 0.01 -0.04 1.69 1.18 2gk6B1 LYS 581 HD3 -0.43 0.08 0.06 -0.04 1.68 1.35 2gk6B1 LYS 581 HE2 -0.17 0.04 0.08 -0.04 2.99 2.89 2gk6B1 LYS 581 HE3 -0.14 -0.01 0.06 -0.04 2.99 2.86 2gk6B1 ASP 582 H -0.02 0.40 -0.65 -0.55 8.40 7.59 2gk6B1 ASP 582 HA -0.01 0.19 0.60 -0.75 4.63 4.66 2gk6B1 ASP 582 HB2 0.00 -0.01 -0.01 -0.04 2.71 2.64 2gk6B1 ASP 582 HB3 0.00 0.07 -0.08 -0.04 2.70 2.65 2gk6B1 LEU 587 HA -0.06 -0.07 0.19 -0.75 4.35 3.66 2gk6B1 LEU 587 HB2 -0.05 0.04 0.07 -0.04 1.64 1.66 2gk6B1 LEU 587 HB3 -0.03 -0.03 -0.00 -0.04 1.64 1.54 2gk6B1 LEU 587 HG -0.05 -0.07 -0.02 -0.04 1.64 1.46 2gk6B1 LEU 587 HD13 -0.05 0.01 -0.01 -0.04 0.93 0.84 2gk6B1 LEU 587 HD23 -0.01 -0.03 -0.30 -0.04 0.89 0.51 2gk6B1 SER 588 H -0.03 0.18 0.09 -0.55 8.46 8.15 2gk6B1 SER 588 HA -0.01 0.21 0.77 -0.75 4.49 4.71 2gk6B1 SER 588 HB2 0.00 -0.26 0.07 -0.04 3.95 3.72 2gk6B1 SER 588 HB3 -0.00 0.02 0.12 -0.04 3.93 4.04 2gk6B1 SER 589 H 0.00 0.24 0.14 -0.55 8.46 8.30 2gk6B1 SER 589 HA 0.01 0.11 0.25 -0.75 4.49 4.10 2gk6B1 SER 589 HB2 0.01 0.06 0.14 -0.04 3.95 4.12 2gk6B1 SER 589 HB3 0.01 -0.01 0.09 -0.04 3.93 3.98 2gk6B1 ALA 590 H 0.01 0.09 -0.10 -0.55 8.40 7.85 2gk6B1 ALA 590 HA 0.02 0.15 0.66 -0.75 4.34 4.41 2gk6B1 ALA 590 HB3 0.01 0.03 0.06 -0.04 1.41 1.47 2gk6B1 ASP 591 H 0.01 0.07 -0.14 -0.55 8.40 7.79 2gk6B1 ASP 591 HA 0.04 0.07 0.47 -0.75 4.63 4.45 2gk6B1 ASP 591 HB2 0.01 0.01 0.12 -0.04 2.71 2.81 2gk6B1 ASP 591 HB3 0.02 0.07 0.06 -0.04 2.70 2.80 2gk6B1 GLU 592 H 0.02 0.38 -0.33 -0.55 8.60 8.12 2gk6B1 GLU 592 HA 0.07 0.08 0.51 -0.75 4.29 4.20 2gk6B1 GLU 592 HB2 0.02 0.09 0.08 -0.04 2.09 2.23 2gk6B1 GLU 592 HB3 0.04 0.02 -0.07 -0.04 1.99 1.95 2gk6B1 GLU 592 HG2 -0.03 -0.01 -0.00 -0.04 2.34 2.26 2gk6B1 GLU 592 HG3 -0.00 0.00 -0.05 -0.04 2.34 2.25 2gk6B1 LYS 593 H 0.04 0.31 -0.18 -0.55 8.42 8.04 2gk6B1 LYS 593 HA 0.04 0.07 0.58 -0.75 4.32 4.26 2gk6B1 LYS 593 HB2 0.03 0.15 0.16 -0.04 1.87 2.17 2gk6B1 LYS 593 HB3 0.02 -0.02 0.07 -0.04 1.79 1.82 2gk6B1 LYS 593 HG2 0.03 -0.04 0.05 -0.04 1.46 1.46 2gk6B1 LYS 593 HG3 0.02 0.16 0.17 -0.04 1.46 1.77 2gk6B1 LYS 593 HD2 0.02 -0.01 0.04 -0.04 1.69 1.70 2gk6B1 LYS 593 HD3 0.02 -0.01 0.04 -0.04 1.68 1.68 2gk6B1 LYS 593 HE2 0.02 -0.01 0.02 -0.04 2.99 2.98 2gk6B1 LYS 593 HE3 0.01 -0.00 0.02 -0.04 2.99 2.98 2gk6B1 ARG 594 H 0.05 0.28 -0.22 -0.55 8.46 8.03 2gk6B1 ARG 594 HA 0.03 0.09 0.61 -0.75 4.34 4.31 2gk6B1 ARG 594 HB2 0.04 0.03 0.13 -0.04 1.90 2.06 2gk6B1 ARG 594 HB3 0.06 0.06 -0.07 -0.04 1.80 1.80 2gk6B1 ARG 594 HG2 0.02 0.00 0.01 -0.04 1.67 1.66 2gk6B1 ARG 594 HG3 0.03 0.00 -0.00 -0.04 1.67 1.65 2gk6B1 ARG 594 HD2 0.02 -0.00 -0.01 -0.04 3.22 3.18 2gk6B1 ARG 594 HD3 0.02 -0.05 0.07 -0.04 3.22 3.22 2gk6B1 TYR 595 H 0.17 0.30 -0.31 -0.55 8.29 7.89 2gk6B1 TYR 595 HA 0.01 0.06 0.40 -0.75 4.56 4.27 2gk6B1 TYR 595 HB2 0.01 0.08 0.10 -0.04 3.06 3.21 2gk6B1 TYR 595 HB3 0.01 0.07 0.22 -0.04 2.98 3.23 2gk6B1 TYR 595 HD2 0.01 -0.01 -0.09 -0.04 7.15 7.02 2gk6B1 TYR 595 HE2 0.01 0.01 -0.04 -0.04 6.85 6.79 2gk6B1 ARG 596 H 0.10 0.44 -0.07 -0.55 8.46 8.38 2gk6B1 ARG 596 HA -0.19 0.07 0.58 -0.75 4.34 4.05 2gk6B1 ARG 596 HB2 0.05 0.13 0.15 -0.04 1.90 2.19 2gk6B1 ARG 596 HB3 0.00 0.01 -0.03 -0.04 1.80 1.74 2gk6B1 ARG 596 HG2 0.04 -0.01 0.03 -0.04 1.67 1.69 2gk6B1 ARG 596 HG3 0.04 -0.02 0.04 -0.04 1.67 1.69 2gk6B1 ARG 596 HD2 0.16 0.20 0.08 -0.04 3.22 3.63 2gk6B1 ARG 596 HD3 0.09 -0.03 0.01 -0.04 3.22 3.25 2gk6B1 ALA 597 H -0.01 0.29 -0.34 -0.55 8.40 7.79 2gk6B1 ALA 597 HA -0.03 0.08 0.56 -0.75 4.34 4.20 2gk6B1 ALA 597 HB3 -0.01 0.03 0.11 -0.04 1.41 1.51 2gk6B1 LEU 598 H -0.07 0.35 -0.34 -0.55 8.37 7.76 2gk6B1 LEU 598 HA -0.04 0.08 0.50 -0.75 4.35 4.13 2gk6B1 LEU 598 HB2 -0.07 0.14 0.16 -0.04 1.64 1.83 2gk6B1 LEU 598 HB3 -0.05 -0.07 -0.05 -0.04 1.64 1.43 2gk6B1 LEU 598 HG -0.01 0.06 0.01 -0.04 1.64 1.67 2gk6B1 LEU 598 HD13 0.02 -0.04 -0.23 -0.04 0.93 0.64 2gk6B1 LEU 598 HD23 -0.01 -0.02 -0.02 -0.04 0.89 0.80 2gk6B1 LYS 599 H -0.24 0.57 -0.01 -0.55 8.42 8.18 2gk6B1 LYS 599 HA -0.15 0.04 0.51 -0.75 4.32 3.97 2gk6B1 LYS 599 HB2 -0.56 0.09 0.16 -0.04 1.87 1.51 2gk6B1 LYS 599 HB3 -0.28 0.00 0.21 -0.04 1.79 1.68 2gk6B1 LYS 599 HG2 -0.14 -0.02 -0.03 -0.04 1.46 1.23 2gk6B1 LYS 599 HG3 -0.10 -0.04 -0.21 -0.04 1.46 1.07 2gk6B1 LYS 599 HD2 -0.04 -0.03 -0.02 -0.04 1.69 1.55 2gk6B1 LYS 599 HD3 -0.13 0.01 0.03 -0.04 1.68 1.54 2gk6B1 LYS 599 HE2 0.02 0.04 -0.01 -0.04 2.99 3.00 2gk6B1 LYS 599 HE3 -0.53 0.03 -0.01 -0.04 2.99 2.45 2gk6B1 ARG 600 H -0.09 0.49 -0.29 -0.55 8.46 8.00 2gk6B1 ARG 600 HA -0.04 -0.00 0.37 -0.75 4.34 3.91 2gk6B1 ARG 600 HB2 -0.04 0.10 0.15 -0.04 1.90 2.07 2gk6B1 ARG 600 HB3 -0.04 0.08 0.09 -0.04 1.80 1.90 2gk6B1 ARG 600 HG2 -0.02 -0.03 -0.00 -0.04 1.67 1.58 2gk6B1 ARG 600 HG3 -0.02 0.02 -0.11 -0.04 1.67 1.52 2gk6B1 ARG 600 HD2 -0.02 -0.03 0.12 -0.04 3.22 3.24 2gk6B1 ARG 600 HD3 -0.02 -0.05 0.02 -0.04 3.22 3.13 2gk6B1 THR 601 H -0.05 0.32 -0.35 -0.55 8.28 7.65 2gk6B1 THR 601 HA -0.02 0.04 0.47 -0.75 4.39 4.12 2gk6B1 THR 601 HB -0.03 0.08 0.23 -0.04 4.32 4.56 2gk6B1 THR 601 HG23 -0.02 -0.02 -0.09 -0.04 1.22 1.05 2gk6B1 ALA 602 H -0.05 0.57 -0.15 -0.55 8.40 8.23 2gk6B1 ALA 602 HA -0.02 0.00 0.39 -0.75 4.34 3.96 2gk6B1 ALA 602 HB3 -0.04 0.01 0.12 -0.04 1.41 1.46 2gk6B1 GLU 603 H -0.04 0.73 0.06 -0.55 8.60 8.81 2gk6B1 GLU 603 HA -0.01 -0.02 0.43 -0.75 4.29 3.93 2gk6B1 GLU 603 HB2 -0.02 0.11 0.13 -0.04 2.09 2.27 2gk6B1 GLU 603 HB3 -0.01 -0.00 -0.02 -0.04 1.99 1.92 2gk6B1 GLU 603 HG2 -0.01 -0.08 -0.00 -0.04 2.34 2.21 2gk6B1 GLU 603 HG3 -0.03 0.11 0.04 -0.04 2.34 2.42 2gk6B1 ARG 604 H -0.02 0.45 -0.37 -0.55 8.46 7.97 2gk6B1 ARG 604 HA -0.01 0.04 0.33 -0.75 4.34 3.94 2gk6B1 ARG 604 HB2 -0.02 0.25 0.22 -0.04 1.90 2.31 2gk6B1 ARG 604 HB3 -0.02 -0.02 -0.04 -0.04 1.80 1.69 2gk6B1 ARG 604 HG2 -0.01 -0.00 0.05 -0.04 1.67 1.66 2gk6B1 ARG 604 HG3 -0.02 -0.06 0.01 -0.04 1.67 1.57 2gk6B1 ARG 604 HD2 -0.02 -0.03 0.01 -0.04 3.22 3.14 2gk6B1 ARG 604 HD3 -0.01 -0.04 0.13 -0.04 3.22 3.25 2gk6B1 GLU 605 H -0.01 0.42 -0.16 -0.55 8.60 8.30 2gk6B1 GLU 605 HA -0.01 0.06 0.56 -0.75 4.29 4.15 2gk6B1 GLU 605 HB2 -0.01 0.00 0.10 -0.04 2.09 2.14 2gk6B1 GLU 605 HB3 -0.01 0.07 0.14 -0.04 1.99 2.15 2gk6B1 GLU 605 HG2 -0.01 0.00 -0.17 -0.04 2.34 2.12 2gk6B1 GLU 605 HG3 -0.01 -0.00 0.05 -0.04 2.34 2.33 2gk6B1 LEU 606 H -0.01 0.50 -0.07 -0.55 8.37 8.25 2gk6B1 LEU 606 HA -0.01 0.06 0.38 -0.75 4.35 4.03 2gk6B1 LEU 606 HB2 -0.01 0.08 0.10 -0.04 1.64 1.77 2gk6B1 LEU 606 HB3 -0.02 -0.03 -0.06 -0.04 1.64 1.50 2gk6B1 LEU 606 HG -0.01 -0.01 -0.04 -0.04 1.64 1.54 2gk6B1 LEU 606 HD13 -0.02 -0.00 -0.19 -0.04 0.93 0.68 2gk6B1 LEU 606 HD23 -0.01 0.01 -0.05 -0.04 0.89 0.80 2gk6B1 LEU 607 H -0.00 0.43 -0.20 -0.55 8.37 8.05 2gk6B1 LEU 607 HA 0.02 0.03 0.41 -0.75 4.35 4.06 2gk6B1 LEU 607 HB2 0.01 0.24 0.13 -0.04 1.64 1.98 2gk6B1 LEU 607 HB3 0.03 0.05 -0.06 -0.04 1.64 1.61 2gk6B1 LEU 607 HG 0.06 0.01 -0.06 -0.04 1.64 1.61 2gk6B1 LEU 607 HD13 0.01 -0.03 -0.07 -0.04 0.93 0.80 2gk6B1 LEU 607 HD23 0.02 0.01 -0.12 -0.04 0.89 0.76 2gk6B1 MET 608 H 0.00 0.36 -0.13 -0.55 8.47 8.16 2gk6B1 MET 608 HA -0.00 0.10 0.43 -0.75 4.52 4.29 2gk6B1 MET 608 HB2 -0.01 0.10 0.16 -0.04 2.15 2.35 2gk6B1 MET 608 HB3 -0.02 -0.06 0.11 -0.04 2.03 2.02 2gk6B1 MET 608 HG2 -0.01 -0.07 0.04 -0.04 2.63 2.54 2gk6B1 MET 608 HG3 -0.02 -0.01 0.09 -0.04 2.56 2.58 2gk6B1 MET 608 HE3 -0.07 0.00 0.05 -0.04 2.10 2.04 2gk6B1 ASN 609 H 0.00 0.19 -0.46 -0.55 8.53 7.71 2gk6B1 ASN 609 HA -0.00 0.20 0.86 -0.75 4.76 5.06 2gk6B1 ASN 609 HB2 -0.00 0.11 0.07 -0.04 2.88 3.01 2gk6B1 ASN 609 HB3 -0.00 -0.09 0.15 -0.04 2.79 2.81 2gk6B1 ASN 609 HD21 -0.01 -0.13 0.00 -0.04 7.03 6.86 2gk6B1 ASN 609 HD22 -0.01 0.58 0.17 -0.04 7.74 8.44 2gk6B1 ALA 610 H 0.01 0.21 -0.39 -0.55 8.40 7.69 2gk6B1 ALA 610 HA 0.00 0.00 0.68 -0.75 4.34 4.27 2gk6B1 ALA 610 HB3 0.01 0.07 0.06 -0.04 1.41 1.52 2gk6B1 ASP 611 H 0.00 0.33 0.33 -0.55 8.40 8.52 2gk6B1 ASP 611 HA 0.00 0.22 0.78 -0.75 4.63 4.88 2gk6B1 ASP 611 HB2 -0.00 -0.04 0.17 -0.04 2.71 2.80 2gk6B1 ASP 611 HB3 -0.02 0.02 0.09 -0.04 2.70 2.75 2gk6B1 VAL 612 H 0.00 0.36 0.22 -0.55 8.24 8.28 2gk6B1 VAL 612 HA -0.01 0.30 0.90 -0.75 4.13 4.57 2gk6B1 VAL 612 HB -0.01 -0.12 -0.06 -0.04 2.12 1.89 2gk6B1 VAL 612 HG13 -0.03 -0.01 -0.19 -0.04 0.97 0.70 2gk6B1 VAL 612 HG23 -0.00 0.01 -0.30 -0.04 0.95 0.62 2gk6B1 ILE 613 H -0.07 0.68 0.29 -0.55 8.25 8.60 2gk6B1 ILE 613 HA -0.04 0.19 0.95 -0.75 4.18 4.52 2gk6B1 ILE 613 HB -0.14 0.03 0.10 -0.04 1.89 1.83 2gk6B1 ILE 613 HG12 0.02 -0.04 0.04 -0.04 1.49 1.46 2gk6B1 ILE 613 HG13 0.04 -0.01 -0.40 -0.04 1.21 0.80 2gk6B1 ILE 613 HG23 -0.06 -0.03 -0.14 -0.04 0.93 0.65 2gk6B1 ILE 613 HD13 0.20 0.06 -0.06 -0.04 0.88 1.04 2gk6B1 CYS 614 H -0.06 0.69 0.33 -0.55 8.50 8.92 2gk6B1 CYS 614 HA -0.08 0.43 1.04 -0.75 4.58 5.22 2gk6B1 CYS 614 HB2 -0.06 -0.05 0.08 -0.04 2.97 2.90 2gk6B1 CYS 614 HB3 -0.06 -0.06 -0.07 -0.04 2.97 2.75 2gk6B1 CYS 615 H -0.08 0.67 0.40 -0.55 8.50 8.94 2gk6B1 CYS 615 HA -0.06 0.16 0.81 -0.75 4.58 4.75 2gk6B1 CYS 615 HB2 -0.07 0.11 -0.29 -0.04 2.97 2.68 2gk6B1 CYS 615 HB3 -0.08 0.05 -0.25 -0.04 2.97 2.66 2gk6B1 THR 616 H -0.05 0.12 0.12 -0.55 8.28 7.92 2gk6B1 THR 616 HA -0.05 0.35 0.82 -0.75 4.39 4.75 2gk6B1 THR 616 HB -0.04 0.01 0.05 -0.04 4.32 4.29 2gk6B1 THR 616 HG23 -0.05 -0.11 0.00 -0.04 1.22 1.02 2gk6B1 CYS 617 H -0.05 0.33 -0.03 -0.55 8.50 8.21 2gk6B1 CYS 617 HA -0.06 0.16 0.30 -0.75 4.58 4.23 2gk6B1 CYS 617 HB2 -0.05 -0.12 0.01 -0.04 2.97 2.78 2gk6B1 CYS 617 HB3 -0.05 0.27 -0.17 -0.04 2.97 2.98 2gk6B1 VAL 618 H -0.06 0.08 -0.11 -0.55 8.24 7.60 2gk6B1 VAL 618 HA -0.06 0.17 0.45 -0.75 4.13 3.93 2gk6B1 VAL 618 HB -0.08 -0.03 0.09 -0.04 2.12 2.06 2gk6B1 VAL 618 HG13 -0.10 0.00 -0.14 -0.04 0.97 0.69 2gk6B1 VAL 618 HG23 -0.10 0.01 0.06 -0.04 0.95 0.88 2gk6B1 GLY 619 H -0.05 0.01 -0.43 -0.55 8.43 7.40 2gk6B1 GLY 619 HA2 -0.04 0.00 0.31 -0.51 4.01 3.77 2gk6B1 GLY 619 HA3 -0.04 -0.03 0.24 -0.51 4.01 3.66 2gk6B1 ALA 620 H -0.05 0.35 -0.72 -0.55 8.40 7.43 2gk6B1 ALA 620 HA -0.05 0.08 0.50 -0.75 4.34 4.13 2gk6B1 ALA 620 HB3 -0.06 0.04 -0.06 -0.04 1.41 1.29 2gk6B1 GLY 621 H -0.03 0.29 -0.30 -0.55 8.43 7.85 2gk6B1 GLY 621 HA2 0.01 0.20 0.42 -0.51 4.01 4.12 2gk6B1 GLY 621 HA3 -0.01 -0.07 0.24 -0.51 4.01 3.66 2gk6B1 ASP 622 H -0.01 0.25 -0.84 -0.55 8.40 7.26 2gk6B1 ASP 622 HA -0.01 -0.05 0.26 -0.75 4.63 4.08 2gk6B1 ASP 622 HB2 -0.01 0.19 0.05 -0.04 2.71 2.90 2gk6B1 ASP 622 HB3 0.00 0.02 -0.05 -0.04 2.70 2.64 2gk6B1 PRO 623 HA 0.01 0.15 0.44 -0.51 4.44 4.53 2gk6B1 PRO 623 HB2 -0.00 -0.03 0.04 -0.04 2.28 2.24 2gk6B1 PRO 623 HB3 0.00 0.05 0.07 -0.04 2.02 2.09 2gk6B1 PRO 623 HG2 -0.01 -0.02 0.08 -0.04 2.03 2.04 2gk6B1 PRO 623 HG3 -0.00 0.08 0.09 -0.04 2.03 2.15 2gk6B1 PRO 623 HD2 -0.01 -0.01 0.19 -0.04 3.68 3.81 2gk6B1 PRO 623 HD3 -0.01 0.16 0.16 -0.04 3.65 3.92 2gk6B1 ARG 624 H 0.00 0.04 -0.17 -0.55 8.46 7.78 2gk6B1 ARG 624 HA 0.00 0.06 0.38 -0.75 4.34 4.03 2gk6B1 ARG 624 HB2 0.01 -0.03 -0.06 -0.04 1.90 1.77 2gk6B1 ARG 624 HB3 0.01 0.07 -0.04 -0.04 1.80 1.80 2gk6B1 ARG 624 HG2 -0.00 0.04 0.02 -0.04 1.67 1.68 2gk6B1 ARG 624 HG3 -0.00 -0.08 0.03 -0.04 1.67 1.57 2gk6B1 ARG 624 HD2 0.00 0.04 -0.02 -0.04 3.22 3.20 2gk6B1 ARG 624 HD3 0.00 -0.02 -0.01 -0.04 3.22 3.15 2gk6B1 LEU 625 H 0.03 0.23 -0.63 -0.55 8.37 7.45 2gk6B1 LEU 625 HA 0.06 0.14 0.67 -0.75 4.35 4.46 2gk6B1 LEU 625 HB2 0.07 0.20 0.02 -0.04 1.64 1.89 2gk6B1 LEU 625 HB3 0.18 0.03 0.13 -0.04 1.64 1.94 2gk6B1 LEU 625 HG 0.04 -0.18 -0.14 -0.04 1.64 1.32 2gk6B1 LEU 625 HD13 0.03 0.01 -0.01 -0.04 0.93 0.91 2gk6B1 LEU 625 HD23 0.16 0.01 -0.08 -0.04 0.89 0.94 2gk6B1 ALA 626 H 0.01 0.16 -0.47 -0.55 8.40 7.56 2gk6B1 ALA 626 HA 0.01 -0.01 0.38 -0.75 4.34 3.96 2gk6B1 ALA 626 HB3 -0.00 0.01 0.09 -0.04 1.41 1.47 2gk6B1 LYS 627 H -0.01 0.15 0.19 -0.55 8.42 8.20 2gk6B1 LYS 627 HA -0.03 0.02 0.27 -0.75 4.32 3.82 2gk6B1 LYS 627 HB2 -0.02 -0.09 -0.44 -0.04 1.87 1.29 2gk6B1 LYS 627 HB3 -0.03 0.04 0.11 -0.04 1.79 1.86 2gk6B1 LYS 627 HG2 -0.02 -0.05 -0.01 -0.04 1.46 1.34 2gk6B1 LYS 627 HG3 -0.03 0.02 0.04 -0.04 1.46 1.45 2gk6B1 LYS 627 HD2 -0.01 0.05 0.04 -0.04 1.69 1.73 2gk6B1 LYS 627 HD3 -0.01 -0.05 -0.02 -0.04 1.68 1.56 2gk6B1 LYS 627 HE2 -0.01 -0.05 -0.01 -0.04 2.99 2.88 2gk6B1 LYS 627 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.94 2gk6B1 MET 628 H -0.06 0.27 -0.49 -0.55 8.47 7.64 2gk6B1 MET 628 HA -0.20 0.08 0.81 -0.75 4.52 4.45 2gk6B1 MET 628 HB2 -0.11 0.03 -0.05 -0.04 2.15 1.98 2gk6B1 MET 628 HB3 -0.62 0.10 -0.07 -0.04 2.03 1.40 2gk6B1 MET 628 HG2 -0.14 0.01 -0.01 -0.04 2.63 2.46 2gk6B1 MET 628 HG3 -0.07 0.04 -0.21 -0.04 2.56 2.28 2gk6B1 MET 628 HE3 0.11 0.02 -0.15 -0.04 2.10 2.04 2gk6B1 GLN 629 H -0.33 0.11 0.12 -0.55 8.47 7.83 2gk6B1 GLN 629 HA -0.22 0.35 0.82 -0.75 4.36 4.55 2gk6B1 GLN 629 HB2 -0.14 -0.09 0.02 -0.04 2.15 1.89 2gk6B1 GLN 629 HB3 -0.09 0.05 0.03 -0.04 2.02 1.97 2gk6B1 GLN 629 HG2 -0.07 0.09 -0.21 -0.04 2.40 2.17 2gk6B1 GLN 629 HG3 -0.09 -0.07 -0.26 -0.04 2.39 1.93 2gk6B1 GLN 629 HE21 -0.02 0.01 -0.10 -0.04 6.97 6.82 2gk6B1 GLN 629 HE22 -0.02 0.01 -0.19 -0.04 7.69 7.45 2gk6B1 PHE 630 H 0.02 0.67 0.21 -0.55 8.34 8.69 2gk6B1 PHE 630 HA -0.01 0.14 0.84 -0.75 4.62 4.84 2gk6B1 PHE 630 HB2 -0.01 -0.02 -0.04 -0.04 3.15 3.04 2gk6B1 PHE 630 HB3 -0.01 0.01 -0.01 -0.04 3.06 3.01 2gk6B1 PHE 630 HD2 -0.02 0.18 -0.13 -0.04 7.28 7.27 2gk6B1 PHE 630 HE2 -0.02 0.03 -0.14 -0.04 7.38 7.21 2gk6B1 PHE 630 HZ -0.02 -0.06 -0.12 -0.04 7.32 7.08 2gk6B1 ARG 631 H 0.07 0.19 0.08 -0.55 8.46 8.25 2gk6B1 ARG 631 HA 0.04 0.11 0.49 -0.75 4.34 4.23 2gk6B1 ARG 631 HB2 0.02 -0.01 0.12 -0.04 1.90 1.99 2gk6B1 ARG 631 HB3 0.04 0.04 0.13 -0.04 1.80 1.96 2gk6B1 ARG 631 HG2 0.02 -0.07 0.04 -0.04 1.67 1.62 2gk6B1 ARG 631 HG3 0.01 -0.02 0.01 -0.04 1.67 1.63 2gk6B1 ARG 631 HD2 0.01 0.03 -0.07 -0.04 3.22 3.14 2gk6B1 ARG 631 HD3 0.02 0.05 -0.26 -0.04 3.22 3.00 2gk6B1 SER 632 H 0.07 0.19 0.03 -0.55 8.46 8.20 2gk6B1 SER 632 HA 0.03 0.21 0.95 -0.75 4.49 4.93 2gk6B1 SER 632 HB2 0.03 0.03 0.04 -0.04 3.95 4.00 2gk6B1 SER 632 HB3 0.02 -0.01 -0.07 -0.04 3.93 3.83 2gk6B1 ILE 633 H 0.01 0.50 0.26 -0.55 8.25 8.47 2gk6B1 ILE 633 HA -0.04 0.35 0.94 -0.75 4.18 4.68 2gk6B1 ILE 633 HB -0.01 -0.04 0.09 -0.04 1.89 1.90 2gk6B1 ILE 633 HG12 -0.02 0.05 -0.20 -0.04 1.49 1.28 2gk6B1 ILE 633 HG13 0.05 0.01 -0.69 -0.04 1.21 0.54 2gk6B1 ILE 633 HG23 -0.06 -0.04 -0.26 -0.04 0.93 0.52 2gk6B1 ILE 633 HD13 0.04 -0.01 -0.21 -0.04 0.88 0.66 2gk6B1 LEU 634 H -0.04 0.61 0.34 -0.55 8.37 8.74 2gk6B1 LEU 634 HA -0.00 0.24 1.05 -0.75 4.35 4.89 2gk6B1 LEU 634 HB2 0.00 0.04 -0.05 -0.04 1.64 1.60 2gk6B1 LEU 634 HB3 -0.01 -0.02 0.11 -0.04 1.64 1.67 2gk6B1 LEU 634 HG 0.02 0.11 0.02 -0.04 1.64 1.75 2gk6B1 LEU 634 HD13 0.02 0.01 -0.06 -0.04 0.93 0.86 2gk6B1 LEU 634 HD23 0.00 -0.04 -0.31 -0.04 0.89 0.50 2gk6B1 ILE 635 H 0.01 0.64 0.34 -0.55 8.25 8.70 2gk6B1 ILE 635 HA -0.02 0.22 0.99 -0.75 4.18 4.61 2gk6B1 ILE 635 HB 0.01 -0.08 0.18 -0.04 1.89 1.96 2gk6B1 ILE 635 HG12 -0.04 0.01 -0.15 -0.04 1.49 1.27 2gk6B1 ILE 635 HG13 -0.03 0.02 -0.42 -0.04 1.21 0.74 2gk6B1 ILE 635 HG23 -0.01 -0.03 -0.19 -0.04 0.93 0.66 2gk6B1 ILE 635 HD13 -0.03 -0.01 -0.06 -0.04 0.88 0.74 2gk6B1 ASP 636 H -0.01 0.62 0.29 -0.55 8.40 8.76 2gk6B1 ASP 636 HA 0.01 0.07 0.81 -0.75 4.63 4.76 2gk6B1 ASP 636 HB2 -0.00 0.07 0.04 -0.04 2.71 2.78 2gk6B1 ASP 636 HB3 -0.01 0.02 0.03 -0.04 2.70 2.70 2gk6B1 GLU 637 H -0.02 0.12 0.13 -0.55 8.60 8.29 2gk6B1 GLU 637 HA -0.04 -0.03 0.39 -0.75 4.29 3.85 2gk6B1 GLU 637 HB2 -0.02 -0.04 -0.29 -0.04 2.09 1.70 2gk6B1 GLU 637 HB3 -0.02 0.03 0.20 -0.04 1.99 2.16 2gk6B1 GLU 637 HG2 -0.02 -0.01 0.03 -0.04 2.34 2.30 2gk6B1 GLU 637 HG3 -0.03 0.01 0.10 -0.04 2.34 2.38 2gk6B1 SER 638 H -0.03 0.72 0.08 -0.55 8.46 8.69 2gk6B1 SER 638 HA -0.01 0.11 0.22 -0.75 4.49 4.06 2gk6B1 SER 638 HB2 0.06 -0.03 0.03 -0.04 3.95 3.96 2gk6B1 SER 638 HB3 0.05 0.25 -0.04 -0.04 3.93 4.14 2gk6B1 THR 639 H -0.18 0.03 -0.10 -0.55 8.28 7.49 2gk6B1 THR 639 HA -0.03 0.03 0.57 -0.75 4.39 4.21 2gk6B1 THR 639 HB -0.10 0.19 0.01 -0.04 4.32 4.39 2gk6B1 THR 639 HG23 -0.64 -0.04 -0.18 -0.04 1.22 0.32 2gk6B1 GLN 640 H -0.04 0.21 -0.61 -0.55 8.47 7.49 2gk6B1 GLN 640 HA -0.01 0.23 0.59 -0.75 4.36 4.41 2gk6B1 GLN 640 HB2 -0.02 0.17 0.09 -0.04 2.15 2.35 2gk6B1 GLN 640 HB3 -0.01 -0.07 0.08 -0.04 2.02 1.99 2gk6B1 GLN 640 HG2 -0.03 0.19 -0.29 -0.04 2.40 2.23 2gk6B1 GLN 640 HG3 -0.03 -0.11 -0.07 -0.04 2.39 2.14 2gk6B1 GLN 640 HE21 -0.00 0.03 -0.05 -0.04 6.97 6.90 2gk6B1 GLN 640 HE22 -0.01 -0.05 -0.00 -0.04 7.69 7.58 2gk6B1 ALA 641 H -0.00 0.37 -0.08 -0.55 8.40 8.13 2gk6B1 ALA 641 HA -0.00 0.10 0.92 -0.75 4.34 4.61 2gk6B1 ALA 641 HB3 -0.01 -0.00 0.08 -0.04 1.41 1.44 2gk6B1 THR 642 H 0.01 0.06 0.14 -0.55 8.28 7.94 2gk6B1 THR 642 HA 0.04 0.28 0.52 -0.75 4.39 4.48 2gk6B1 THR 642 HB 0.07 0.13 0.15 -0.04 4.32 4.62 2gk6B1 THR 642 HG23 0.05 0.03 0.00 -0.04 1.22 1.26 2gk6B1 GLU 643 H 0.04 0.41 0.15 -0.55 8.60 8.66 2gk6B1 GLU 643 HA -0.06 -0.08 0.41 -0.75 4.29 3.81 2gk6B1 GLU 643 HB2 -0.01 0.10 0.05 -0.04 2.09 2.18 2gk6B1 GLU 643 HB3 -0.28 0.09 0.11 -0.04 1.99 1.87 2gk6B1 GLU 643 HG2 -0.50 0.01 -0.24 -0.04 2.34 1.57 2gk6B1 GLU 643 HG3 -0.16 -0.10 0.03 -0.04 2.34 2.07 2gk6B1 PRO 644 HA -0.16 0.14 0.43 -0.51 4.44 4.34 2gk6B1 PRO 644 HB2 0.02 -0.03 -0.07 -0.04 2.28 2.15 2gk6B1 PRO 644 HB3 -0.01 0.09 -0.00 -0.04 2.02 2.06 2gk6B1 PRO 644 HG2 0.13 0.04 0.01 -0.04 2.03 2.17 2gk6B1 PRO 644 HG3 -0.09 0.10 0.01 -0.04 2.03 2.00 2gk6B1 PRO 644 HD2 0.03 -0.00 -0.05 -0.04 3.68 3.62 2gk6B1 PRO 644 HD3 -0.07 0.18 0.14 -0.04 3.65 3.86 2gk6B1 GLU 645 H -0.03 0.11 -0.42 -0.55 8.60 7.72 2gk6B1 GLU 645 HA -0.04 0.05 0.46 -0.75 4.29 4.01 2gk6B1 GLU 645 HB2 -0.02 -0.07 0.11 -0.04 2.09 2.07 2gk6B1 GLU 645 HB3 -0.03 0.19 0.11 -0.04 1.99 2.22 2gk6B1 GLU 645 HG2 -0.04 -0.02 -0.13 -0.04 2.34 2.11 2gk6B1 GLU 645 HG3 -0.05 -0.03 0.03 -0.04 2.34 2.25 2gk6B1 CYS 646 H -0.05 0.39 -0.12 -0.55 8.50 8.17 2gk6B1 CYS 646 HA -0.05 -0.00 0.39 -0.75 4.58 4.16 2gk6B1 CYS 646 HB2 -0.07 0.14 0.11 -0.04 2.97 3.12 2gk6B1 CYS 646 HB3 -0.06 0.01 -0.05 -0.04 2.97 2.84 2gk6B1 MET 647 H -0.10 0.29 -0.42 -0.55 8.47 7.69 2gk6B1 MET 647 HA -0.15 0.03 0.35 -0.75 4.52 3.99 2gk6B1 MET 647 HB2 -0.10 0.08 0.03 -0.04 2.15 2.12 2gk6B1 MET 647 HB3 -0.15 0.00 -0.06 -0.04 2.03 1.79 2gk6B1 MET 647 HG2 -0.18 0.15 -0.06 -0.04 2.63 2.50 2gk6B1 MET 647 HG3 -0.13 -0.04 -0.11 -0.04 2.56 2.24 2gk6B1 MET 647 HE3 -0.85 0.00 -0.10 -0.04 2.10 1.11 2gk6B1 VAL 648 H -0.06 0.30 -0.48 -0.55 8.24 7.46 2gk6B1 VAL 648 HA -0.02 0.01 0.36 -0.75 4.13 3.72 2gk6B1 VAL 648 HB -0.04 0.16 0.03 -0.04 2.12 2.23 2gk6B1 VAL 648 HG13 -0.02 -0.02 -0.16 -0.04 0.97 0.73 2gk6B1 VAL 648 HG23 -0.03 0.01 -0.07 -0.04 0.95 0.83 2gk6B1 PRO 649 HA -0.02 0.16 0.55 -0.51 4.44 4.61 2gk6B1 PRO 649 HB2 -0.07 0.04 -0.16 -0.04 2.28 2.05 2gk6B1 PRO 649 HB3 -0.09 0.00 -0.01 -0.04 2.02 1.88 2gk6B1 PRO 649 HG2 -0.06 0.11 0.04 -0.04 2.03 2.08 2gk6B1 PRO 649 HG3 -0.06 -0.13 0.01 -0.04 2.03 1.81 2gk6B1 PRO 649 HD2 -0.06 0.10 -0.22 -0.04 3.68 3.46 2gk6B1 PRO 649 HD3 -0.05 0.20 0.08 -0.04 3.65 3.84 2gk6B1 VAL 650 H -0.07 0.28 -0.26 -0.55 8.24 7.64 2gk6B1 VAL 650 HA -0.04 0.04 0.20 -0.75 4.13 3.58 2gk6B1 VAL 650 HB -0.15 0.01 0.06 -0.04 2.12 2.00 2gk6B1 VAL 650 HG13 -0.17 -0.01 -0.16 -0.04 0.97 0.59 2gk6B1 VAL 650 HG23 -0.09 0.04 -0.05 -0.04 0.95 0.81 2gk6B1 VAL 651 H -0.04 0.41 -0.36 -0.55 8.24 7.70 2gk6B1 VAL 651 HA -0.00 0.16 0.43 -0.75 4.13 3.96 2gk6B1 VAL 651 HB 0.04 -0.09 0.11 -0.04 2.12 2.13 2gk6B1 VAL 651 HG13 -0.04 0.04 -0.03 -0.04 0.97 0.90 2gk6B1 VAL 651 HG23 0.01 0.05 -0.04 -0.04 0.95 0.93 2gk6B1 LEU 652 H 0.05 0.47 -0.56 -0.55 8.37 7.78 2gk6B1 LEU 652 HA 0.06 0.10 0.76 -0.75 4.35 4.51 2gk6B1 LEU 652 HB2 0.24 0.11 0.13 -0.04 1.64 2.08 2gk6B1 LEU 652 HB3 0.31 0.01 0.21 -0.04 1.64 2.13 2gk6B1 LEU 652 HG 0.08 0.04 0.00 -0.04 1.64 1.72 2gk6B1 LEU 652 HD13 0.22 0.02 0.01 -0.04 0.93 1.14 2gk6B1 LEU 652 HD23 0.07 0.02 -0.01 -0.04 0.89 0.93 2gk6B1 GLY 653 H 0.04 0.38 -0.45 -0.55 8.43 7.85 2gk6B1 GLY 653 HA2 0.02 0.17 0.16 -0.51 4.01 3.85 2gk6B1 GLY 653 HA3 0.01 -0.07 0.45 -0.51 4.01 3.90 2gk6B1 ALA 654 H 0.03 0.35 0.14 -0.55 8.40 8.37 2gk6B1 ALA 654 HA 0.05 0.24 0.35 -0.75 4.34 4.22 2gk6B1 ALA 654 HB3 0.01 -0.04 0.11 -0.04 1.41 1.45 2gk6B1 LYS 655 H 0.04 0.66 0.52 -0.55 8.42 9.08 2gk6B1 LYS 655 HA 0.05 -0.05 0.90 -0.75 4.32 4.46 2gk6B1 LYS 655 HB2 0.02 0.04 0.09 -0.04 1.87 1.99 2gk6B1 LYS 655 HB3 0.02 -0.11 0.15 -0.04 1.79 1.82 2gk6B1 LYS 655 HG2 0.02 0.30 0.03 -0.04 1.46 1.77 2gk6B1 LYS 655 HG3 0.02 -0.07 0.08 -0.04 1.46 1.44 2gk6B1 LYS 655 HD2 0.02 -0.08 0.07 -0.04 1.69 1.65 2gk6B1 LYS 655 HD3 0.02 -0.01 -0.00 -0.04 1.68 1.65 2gk6B1 LYS 655 HE2 0.01 -0.05 -0.00 -0.04 2.99 2.91 2gk6B1 LYS 655 HE3 0.00 0.09 -0.03 -0.04 2.99 3.02 2gk6B1 GLN 656 H 0.03 0.50 0.40 -0.55 8.47 8.85 2gk6B1 GLN 656 HA 0.04 0.30 0.88 -0.75 4.36 4.82 2gk6B1 GLN 656 HB2 0.02 -0.01 -0.12 -0.04 2.15 2.00 2gk6B1 GLN 656 HB3 0.02 -0.09 0.08 -0.04 2.02 1.99 2gk6B1 GLN 656 HG2 0.02 -0.10 -0.24 -0.04 2.40 2.04 2gk6B1 GLN 656 HG3 0.02 0.12 0.06 -0.04 2.39 2.55 2gk6B1 GLN 656 HE21 0.01 0.04 -0.03 -0.04 6.97 6.94 2gk6B1 GLN 656 HE22 0.01 0.40 -0.00 -0.04 7.69 8.05 2gk6B1 LEU 657 H 0.03 0.67 0.25 -0.55 8.37 8.77 2gk6B1 LEU 657 HA 0.00 0.36 1.06 -0.75 4.35 5.02 2gk6B1 LEU 657 HB2 -0.01 0.01 -0.14 -0.04 1.64 1.46 2gk6B1 LEU 657 HB3 -0.00 -0.03 0.11 -0.04 1.64 1.67 2gk6B1 LEU 657 HG -0.02 -0.07 -0.27 -0.04 1.64 1.24 2gk6B1 LEU 657 HD13 -0.02 0.06 -0.07 -0.04 0.93 0.86 2gk6B1 LEU 657 HD23 -0.06 -0.02 -0.11 -0.04 0.89 0.66 2gk6B1 ILE 658 H 0.01 0.62 0.37 -0.55 8.25 8.70 2gk6B1 ILE 658 HA 0.01 0.25 0.99 -0.75 4.18 4.68 2gk6B1 ILE 658 HB 0.02 -0.07 0.12 -0.04 1.89 1.92 2gk6B1 ILE 658 HG12 0.02 -0.02 -0.16 -0.04 1.49 1.29 2gk6B1 ILE 658 HG13 0.01 0.13 -0.24 -0.04 1.21 1.07 2gk6B1 ILE 658 HG23 0.03 -0.03 -0.26 -0.04 0.93 0.63 2gk6B1 ILE 658 HD13 0.02 0.01 -0.29 -0.04 0.88 0.58 2gk6B1 LEU 659 H 0.02 0.67 0.32 -0.55 8.37 8.83 2gk6B1 LEU 659 HA 0.08 0.18 1.02 -0.75 4.35 4.88 2gk6B1 LEU 659 HB2 0.07 -0.00 0.13 -0.04 1.64 1.79 2gk6B1 LEU 659 HB3 0.25 -0.12 0.01 -0.04 1.64 1.74 2gk6B1 LEU 659 HG -0.01 0.10 -0.14 -0.04 1.64 1.55 2gk6B1 LEU 659 HD13 -0.01 -0.02 -0.15 -0.04 0.93 0.71 2gk6B1 LEU 659 HD23 0.02 0.02 -0.17 -0.04 0.89 0.72 2gk6B1 VAL 660 H 0.11 0.67 0.41 -0.55 8.24 8.88 2gk6B1 VAL 660 HA 0.20 0.30 1.02 -0.75 4.13 4.89 2gk6B1 VAL 660 HB 0.04 -0.11 0.22 -0.04 2.12 2.22 2gk6B1 VAL 660 HG13 0.04 0.01 0.01 -0.04 0.97 0.99 2gk6B1 VAL 660 HG23 0.06 0.04 -0.18 -0.04 0.95 0.83 2gk6B1 GLY 661 H 0.03 0.76 0.39 -0.55 8.43 9.07 2gk6B1 GLY 661 HA2 -0.12 0.01 0.44 -0.51 4.01 3.83 2gk6B1 GLY 661 HA3 -0.37 -0.16 0.46 -0.51 4.01 3.43 2gk6B1 ASP 662 H -0.32 0.17 -0.01 -0.55 8.40 7.69 2gk6B1 ASP 662 HA -0.06 0.07 0.50 -0.75 4.63 4.38 2gk6B1 ASP 662 HB2 -0.04 0.23 -0.27 -0.04 2.71 2.59 2gk6B1 ASP 662 HB3 -0.05 -0.01 0.03 -0.04 2.70 2.63 2gk6B1 HIS 663 H 0.27 0.22 0.04 -0.55 8.41 8.39 2gk6B1 HIS 663 HA -0.07 0.18 0.53 -0.75 4.63 4.52 2gk6B1 HIS 663 HB2 0.07 0.07 0.13 -0.04 3.26 3.50 2gk6B1 HIS 663 HB3 0.11 -0.09 0.03 -0.04 3.20 3.21 2gk6B1 HIS 663 HD2 0.08 0.03 -0.08 -0.04 6.97 6.96 2gk6B1 HIS 663 HE1 0.20 0.05 -0.06 -0.04 7.75 7.90 2gk6B1 CYS 664 H -0.21 -0.04 -0.42 -0.55 8.50 7.29 2gk6B1 CYS 664 HA -0.17 0.18 0.78 -0.75 4.58 4.61 2gk6B1 CYS 664 HB2 -0.10 -0.06 -0.04 -0.04 2.97 2.72 2gk6B1 CYS 664 HB3 -0.37 0.03 0.10 -0.04 2.97 2.68 2gk6B1 GLN 665 H -0.07 0.29 -0.29 -0.55 8.47 7.85 2gk6B1 GLN 665 HA -0.09 0.19 0.75 -0.75 4.36 4.45 2gk6B1 GLN 665 HB2 -0.04 0.09 0.05 -0.04 2.15 2.21 2gk6B1 GLN 665 HB3 -0.03 -0.14 0.15 -0.04 2.02 1.96 2gk6B1 GLN 665 HG2 -0.04 0.04 -0.05 -0.04 2.40 2.31 2gk6B1 GLN 665 HG3 0.01 -0.06 -0.27 -0.04 2.39 2.02 2gk6B1 GLN 665 HE21 -0.02 -0.00 -0.07 -0.04 6.97 6.83 2gk6B1 GLN 665 HE22 0.00 -0.04 -0.08 -0.04 7.69 7.53 2gk6B1 LEU 666 H -0.02 0.05 0.06 -0.55 8.37 7.91 2gk6B1 LEU 666 HA -0.01 -0.06 0.21 -0.75 4.35 3.74 2gk6B1 LEU 666 HB2 0.00 0.00 0.06 -0.04 1.64 1.66 2gk6B1 LEU 666 HB3 0.01 0.10 0.01 -0.04 1.64 1.72 2gk6B1 LEU 666 HG 0.01 -0.01 0.01 -0.04 1.64 1.61 2gk6B1 LEU 666 HD13 0.04 -0.00 -0.09 -0.04 0.93 0.83 2gk6B1 LEU 666 HD23 0.01 -0.02 -0.18 -0.04 0.89 0.66 2gk6B1 GLY 667 H 0.01 -0.02 0.13 -0.55 8.43 8.00 2gk6B1 GLY 667 HA2 0.01 0.34 0.74 -0.51 4.01 4.58 2gk6B1 GLY 667 HA3 0.02 0.04 0.43 -0.51 4.01 3.99 2gk6B1 PRO 668 HA 0.01 0.14 0.38 -0.51 4.44 4.46 2gk6B1 PRO 668 HB2 0.03 0.00 -0.27 -0.04 2.28 2.01 2gk6B1 PRO 668 HB3 0.02 -0.08 -0.38 -0.04 2.02 1.54 2gk6B1 PRO 668 HG2 0.04 0.01 -0.36 -0.04 2.03 1.68 2gk6B1 PRO 668 HG3 0.02 0.08 -0.54 -0.04 2.03 1.54 2gk6B1 PRO 668 HD2 0.03 0.33 0.20 -0.04 3.68 4.20 2gk6B1 PRO 668 HD3 0.03 0.14 0.27 -0.04 3.65 4.04 2gk6B1 VAL 669 H 0.02 0.14 0.15 -0.55 8.24 8.01 2gk6B1 VAL 669 HA 0.02 0.09 0.60 -0.75 4.13 4.10 2gk6B1 VAL 669 HB 0.03 -0.01 -0.02 -0.04 2.12 2.08 2gk6B1 VAL 669 HG13 0.02 0.02 0.02 -0.04 0.97 0.99 2gk6B1 VAL 669 HG23 0.03 -0.01 0.07 -0.04 0.95 1.00 2gk6B1 VAL 670 H 0.01 0.28 0.09 -0.55 8.24 8.07 2gk6B1 VAL 670 HA 0.04 0.09 0.74 -0.75 4.13 4.25 2gk6B1 VAL 670 HB -0.00 0.01 -0.00 -0.04 2.12 2.08 2gk6B1 VAL 670 HG13 -0.01 -0.03 -0.16 -0.04 0.97 0.73 2gk6B1 VAL 670 HG23 0.04 0.04 -0.49 -0.04 0.95 0.50 2gk6B1 MET 671 H 0.02 0.15 0.06 -0.55 8.47 8.15 2gk6B1 MET 671 HA -0.02 0.13 0.40 -0.75 4.52 4.28 2gk6B1 MET 671 HB2 0.12 -0.01 0.10 -0.04 2.15 2.32 2gk6B1 MET 671 HB3 0.12 0.01 -0.08 -0.04 2.03 2.04 2gk6B1 MET 671 HG2 0.20 0.05 -0.01 -0.04 2.63 2.83 2gk6B1 MET 671 HG3 0.25 0.02 0.02 -0.04 2.56 2.81 2gk6B1 MET 671 HE3 0.09 -0.00 -0.07 -0.04 2.10 2.08 2gk6B1 CYS 672 H -0.24 0.05 -0.04 -0.55 8.50 7.72 2gk6B1 CYS 672 HA -1.27 0.15 0.61 -0.75 4.58 3.32 2gk6B1 CYS 672 HB2 -0.37 0.08 0.05 -0.04 2.97 2.70 2gk6B1 CYS 672 HB3 -0.18 -0.04 0.10 -0.04 2.97 2.81 2gk6B1 LYS 673 H -0.29 0.27 0.22 -0.55 8.42 8.08 2gk6B1 LYS 673 HA -0.08 0.13 0.33 -0.75 4.32 3.95 2gk6B1 LYS 673 HB2 -0.05 -0.03 0.16 -0.04 1.87 1.91 2gk6B1 LYS 673 HB3 -0.03 0.04 0.04 -0.04 1.79 1.79 2gk6B1 LYS 673 HG2 -0.04 0.03 0.06 -0.04 1.46 1.47 2gk6B1 LYS 673 HG3 -0.08 0.11 0.15 -0.04 1.46 1.59 2gk6B1 LYS 673 HD2 0.02 0.04 0.07 -0.04 1.69 1.78 2gk6B1 LYS 673 HD3 0.01 -0.02 0.06 -0.04 1.68 1.69 2gk6B1 LYS 673 HE2 0.01 0.02 0.03 -0.04 2.99 3.01 2gk6B1 LYS 673 HE3 0.00 -0.01 0.03 -0.04 2.99 2.96 2gk6B1 LYS 674 H -0.08 0.11 -0.07 -0.55 8.42 7.82 2gk6B1 LYS 674 HA -0.03 0.12 0.36 -0.75 4.32 4.01 2gk6B1 LYS 674 HB2 -0.01 0.02 0.10 -0.04 1.87 1.93 2gk6B1 LYS 674 HB3 -0.03 -0.03 0.01 -0.04 1.79 1.71 2gk6B1 LYS 674 HG2 -0.02 0.03 -0.10 -0.04 1.46 1.33 2gk6B1 LYS 674 HG3 -0.01 0.03 0.04 -0.04 1.46 1.48 2gk6B1 LYS 674 HD2 0.00 0.02 -0.00 -0.04 1.69 1.67 2gk6B1 LYS 674 HD3 0.00 -0.03 -0.02 -0.04 1.68 1.59 2gk6B1 LYS 674 HE2 -0.00 0.01 -0.03 -0.04 2.99 2.93 2gk6B1 LYS 674 HE3 -0.01 0.01 -0.06 -0.04 2.99 2.89 2gk6B1 ALA 675 H -0.08 0.04 -0.42 -0.55 8.40 7.40 2gk6B1 ALA 675 HA -0.02 0.13 0.46 -0.75 4.34 4.15 2gk6B1 ALA 675 HB3 -0.03 0.03 0.06 -0.04 1.41 1.43 2gk6B1 ALA 676 H -0.05 0.43 -0.17 -0.55 8.40 8.06 2gk6B1 ALA 676 HA 0.00 -0.16 0.38 -0.75 4.34 3.81 2gk6B1 ALA 676 HB3 -0.02 0.05 0.06 -0.04 1.41 1.45 2gk6B1 LYS 677 H -0.02 0.58 -0.01 -0.55 8.42 8.41 2gk6B1 LYS 677 HA -0.00 0.05 0.42 -0.75 4.32 4.03 2gk6B1 LYS 677 HB2 -0.02 0.04 0.10 -0.04 1.87 1.95 2gk6B1 LYS 677 HB3 -0.01 0.02 0.02 -0.04 1.79 1.78 2gk6B1 LYS 677 HG2 -0.01 -0.04 0.03 -0.04 1.46 1.41 2gk6B1 LYS 677 HG3 -0.01 0.05 0.01 -0.04 1.46 1.47 2gk6B1 LYS 677 HD2 -0.00 -0.02 -0.02 -0.04 1.69 1.60 2gk6B1 LYS 677 HD3 -0.00 0.03 0.01 -0.04 1.68 1.68 2gk6B1 LYS 677 HE2 -0.00 -0.04 -0.01 -0.04 2.99 2.90 2gk6B1 LYS 677 HE3 0.00 0.00 -0.00 -0.04 2.99 2.95 2gk6B1 ALA 678 H -0.02 0.31 -0.31 -0.55 8.40 7.83 2gk6B1 ALA 678 HA -0.03 0.09 0.55 -0.75 4.34 4.20 2gk6B1 ALA 678 HB3 -0.04 -0.01 0.13 -0.04 1.41 1.45 2gk6B1 GLY 679 H -0.01 0.19 -0.38 -0.55 8.43 7.68 2gk6B1 GLY 679 HA2 0.01 0.02 0.20 -0.51 4.01 3.73 2gk6B1 GLY 679 HA3 -0.05 0.23 0.85 -0.51 4.01 4.53 2gk6B1 LEU 680 H 0.01 0.50 0.19 -0.55 8.37 8.52 2gk6B1 LEU 680 HA 0.14 0.11 0.50 -0.75 4.35 4.35 2gk6B1 LEU 680 HB2 0.05 0.06 -0.02 -0.04 1.64 1.69 2gk6B1 LEU 680 HB3 0.04 -0.07 -0.26 -0.04 1.64 1.31 2gk6B1 LEU 680 HG 0.08 -0.01 -0.05 -0.04 1.64 1.62 2gk6B1 LEU 680 HD13 0.16 -0.00 0.02 -0.04 0.93 1.06 2gk6B1 LEU 680 HD23 0.08 -0.01 -0.10 -0.04 0.89 0.82 2gk6B1 SER 681 H 0.04 0.22 -0.12 -0.55 8.46 8.04 2gk6B1 SER 681 HA 0.04 0.11 0.46 -0.75 4.49 4.35 2gk6B1 SER 681 HB2 0.03 0.02 0.07 -0.04 3.95 4.02 2gk6B1 SER 681 HB3 0.02 -0.12 0.05 -0.04 3.93 3.84 2gk6B1 GLN 682 H 0.08 0.26 -0.40 -0.55 8.47 7.86 2gk6B1 GLN 682 HA 0.07 0.06 0.83 -0.75 4.36 4.57 2gk6B1 GLN 682 HB2 0.07 -0.02 0.04 -0.04 2.15 2.20 2gk6B1 GLN 682 HB3 0.11 0.15 0.14 -0.04 2.02 2.38 2gk6B1 GLN 682 HG2 0.11 0.14 -0.22 -0.04 2.40 2.39 2gk6B1 GLN 682 HG3 0.09 -0.08 -0.01 -0.04 2.39 2.35 2gk6B1 GLN 682 HE21 0.06 0.05 -0.06 -0.04 6.97 6.97 2gk6B1 GLN 682 HE22 0.07 -0.04 -0.13 -0.04 7.69 7.55 2gk6B1 SER 683 H 0.08 0.15 0.16 -0.55 8.46 8.30 2gk6B1 SER 683 HA 0.06 0.10 0.56 -0.75 4.49 4.46 2gk6B1 SER 683 HB2 0.06 0.14 0.19 -0.04 3.95 4.30 2gk6B1 SER 683 HB3 0.05 0.22 0.16 -0.04 3.93 4.32 2gk6B1 LEU 684 H 0.04 0.20 0.05 -0.55 8.37 8.11 2gk6B1 LEU 684 HA 0.04 0.16 0.43 -0.75 4.35 4.22 2gk6B1 LEU 684 HB2 -0.02 -0.01 0.12 -0.04 1.64 1.69 2gk6B1 LEU 684 HB3 0.03 -0.04 -0.05 -0.04 1.64 1.54 2gk6B1 LEU 684 HG -0.09 0.02 -0.01 -0.04 1.64 1.53 2gk6B1 LEU 684 HD13 -0.08 0.01 -0.12 -0.04 0.93 0.70 2gk6B1 LEU 684 HD23 -0.05 0.02 -0.05 -0.04 0.89 0.77 2gk6B1 PHE 685 H 0.20 0.09 -0.21 -0.55 8.34 7.86 2gk6B1 PHE 685 HA -0.02 0.14 0.34 -0.75 4.62 4.32 2gk6B1 PHE 685 HB2 0.00 -0.00 -0.13 -0.04 3.15 2.98 2gk6B1 PHE 685 HB3 0.01 -0.06 -0.09 -0.04 3.06 2.88 2gk6B1 PHE 685 HD2 -0.03 0.02 -0.42 -0.04 7.28 6.81 2gk6B1 PHE 685 HE2 -0.01 0.10 -0.19 -0.04 7.38 7.23 2gk6B1 PHE 685 HZ 0.09 0.04 -0.38 -0.04 7.32 7.02 2gk6B1 GLU 686 H 0.23 0.07 -0.30 -0.55 8.60 8.05 2gk6B1 GLU 686 HA 0.11 0.03 0.34 -0.75 4.29 4.02 2gk6B1 GLU 686 HB2 0.12 0.06 0.12 -0.04 2.09 2.35 2gk6B1 GLU 686 HB3 0.09 0.06 -0.03 -0.04 1.99 2.07 2gk6B1 GLU 686 HG2 0.17 0.06 0.07 -0.04 2.34 2.60 2gk6B1 GLU 686 HG3 0.19 -0.14 0.06 -0.04 2.34 2.41 2gk6B1 ARG 687 H 0.09 0.46 -0.20 -0.55 8.46 8.25 2gk6B1 ARG 687 HA 0.06 0.01 0.39 -0.75 4.34 4.05 2gk6B1 ARG 687 HB2 0.13 -0.00 0.04 -0.04 1.90 2.04 2gk6B1 ARG 687 HB3 0.10 0.07 0.10 -0.04 1.80 2.03 2gk6B1 ARG 687 HG2 0.13 0.09 -0.12 -0.04 1.67 1.73 2gk6B1 ARG 687 HG3 0.13 -0.07 0.08 -0.04 1.67 1.76 2gk6B1 ARG 687 HD2 0.37 0.08 0.00 -0.04 3.22 3.63 2gk6B1 ARG 687 HD3 0.31 -0.05 -0.01 -0.04 3.22 3.43 2gk6B1 LEU 688 H -0.02 0.45 -0.21 -0.55 8.37 8.05 2gk6B1 LEU 688 HA -0.03 0.11 0.50 -0.75 4.35 4.18 2gk6B1 LEU 688 HB2 -0.17 0.05 0.09 -0.04 1.64 1.57 2gk6B1 LEU 688 HB3 -0.12 -0.03 -0.01 -0.04 1.64 1.43 2gk6B1 LEU 688 HG -0.04 0.10 0.01 -0.04 1.64 1.67 2gk6B1 LEU 688 HD13 -0.10 -0.04 -0.15 -0.04 0.93 0.60 2gk6B1 LEU 688 HD23 -0.05 0.00 -0.05 -0.04 0.89 0.75 2gk6B1 VAL 689 H -0.12 0.36 -0.19 -0.55 8.24 7.75 2gk6B1 VAL 689 HA -0.12 0.23 0.44 -0.75 4.13 3.93 2gk6B1 VAL 689 HB -0.13 0.13 0.15 -0.04 2.12 2.22 2gk6B1 VAL 689 HG13 -0.12 -0.01 -0.12 -0.04 0.97 0.67 2gk6B1 VAL 689 HG23 -0.36 0.04 0.00 -0.04 0.95 0.59 2gk6B1 VAL 690 H -0.02 0.40 -0.21 -0.55 8.24 7.87 2gk6B1 VAL 690 HA 0.00 0.02 0.41 -0.75 4.13 3.81 2gk6B1 VAL 690 HB 0.03 0.15 0.17 -0.04 2.12 2.42 2gk6B1 VAL 690 HG13 0.02 -0.03 -0.03 -0.04 0.97 0.90 2gk6B1 VAL 690 HG23 0.03 0.02 0.01 -0.04 0.95 0.97 2gk6B1 LEU 691 H -0.01 0.25 -0.39 -0.55 8.37 7.68 2gk6B1 LEU 691 HA 0.00 0.05 0.56 -0.75 4.35 4.21 2gk6B1 LEU 691 HB2 -0.01 0.05 0.15 -0.04 1.64 1.79 2gk6B1 LEU 691 HB3 -0.00 -0.02 0.06 -0.04 1.64 1.64 2gk6B1 LEU 691 HG 0.03 0.03 0.00 -0.04 1.64 1.66 2gk6B1 LEU 691 HD13 0.04 0.02 -0.06 -0.04 0.93 0.89 2gk6B1 LEU 691 HD23 0.02 0.00 -0.14 -0.04 0.89 0.74 2gk6B1 GLY 692 H -0.02 0.27 -0.45 -0.55 8.43 7.68 2gk6B1 GLY 692 HA2 -0.01 0.01 0.17 -0.51 4.01 3.68 2gk6B1 GLY 692 HA3 -0.01 0.14 0.73 -0.51 4.01 4.37 2gk6B1 ILE 693 H -0.05 0.39 -0.02 -0.55 8.25 8.03 2gk6B1 ILE 693 HA -0.03 0.04 0.53 -0.75 4.18 3.96 2gk6B1 ILE 693 HB -0.11 -0.06 -0.08 -0.04 1.89 1.60 2gk6B1 ILE 693 HG12 -0.03 0.02 -0.06 -0.04 1.49 1.38 2gk6B1 ILE 693 HG13 -0.05 0.08 -0.03 -0.04 1.21 1.18 2gk6B1 ILE 693 HG23 -0.07 -0.01 -0.19 -0.04 0.93 0.61 2gk6B1 ILE 693 HD13 -0.07 -0.01 -0.09 -0.04 0.88 0.67 2gk6B1 ARG 694 H -0.01 0.17 0.22 -0.55 8.46 8.28 2gk6B1 ARG 694 HA -0.01 0.09 0.44 -0.75 4.34 4.10 2gk6B1 ARG 694 HB2 0.01 0.07 0.14 -0.04 1.90 2.08 2gk6B1 ARG 694 HB3 0.02 -0.05 0.09 -0.04 1.80 1.82 2gk6B1 ARG 694 HG2 0.05 0.10 -0.01 -0.04 1.67 1.77 2gk6B1 ARG 694 HG3 0.03 -0.01 0.02 -0.04 1.67 1.66 2gk6B1 ARG 694 HD2 0.03 -0.02 0.01 -0.04 3.22 3.20 2gk6B1 ARG 694 HD3 0.05 -0.01 -0.03 -0.04 3.22 3.19 2gk6B1 PRO 695 HA -0.01 0.16 0.59 -0.51 4.44 4.67 2gk6B1 PRO 695 HB2 0.17 -0.03 -0.16 -0.04 2.28 2.22 2gk6B1 PRO 695 HB3 0.15 -0.10 -0.20 -0.04 2.02 1.84 2gk6B1 PRO 695 HG2 0.16 -0.05 -0.01 -0.04 2.03 2.09 2gk6B1 PRO 695 HG3 -0.17 0.04 -0.03 -0.04 2.03 1.83 2gk6B1 PRO 695 HD2 0.06 0.05 0.17 -0.04 3.68 3.92 2gk6B1 PRO 695 HD3 -0.06 0.36 0.28 -0.04 3.65 4.19 2gk6B1 ILE 696 H 0.05 0.48 0.33 -0.55 8.25 8.56 2gk6B1 ILE 696 HA 0.14 0.11 0.74 -0.75 4.18 4.41 2gk6B1 ILE 696 HB 0.03 -0.02 0.24 -0.04 1.89 2.10 2gk6B1 ILE 696 HG12 0.12 0.01 0.03 -0.04 1.49 1.61 2gk6B1 ILE 696 HG13 0.02 0.06 0.05 -0.04 1.21 1.30 2gk6B1 ILE 696 HG23 0.15 -0.02 -0.17 -0.04 0.93 0.85 2gk6B1 ILE 696 HD13 -0.20 0.01 0.03 -0.04 0.88 0.68 2gk6B1 ARG 697 H 0.11 0.20 0.11 -0.55 8.46 8.33 2gk6B1 ARG 697 HA 0.10 0.26 0.89 -0.75 4.34 4.83 2gk6B1 ARG 697 HB2 0.11 0.01 -0.06 -0.04 1.90 1.91 2gk6B1 ARG 697 HB3 0.07 -0.01 0.06 -0.04 1.80 1.88 2gk6B1 ARG 697 HG2 0.02 0.02 -0.60 -0.04 1.67 1.07 2gk6B1 ARG 697 HG3 0.05 -0.01 -0.10 -0.04 1.67 1.58 2gk6B1 ARG 697 HD2 0.05 0.01 -0.12 -0.04 3.22 3.12 2gk6B1 ARG 697 HD3 0.01 -0.00 -0.13 -0.04 3.22 3.06 2gk6B1 LEU 698 H 0.06 0.54 0.26 -0.55 8.37 8.68 2gk6B1 LEU 698 HA 0.05 -0.05 0.62 -0.75 4.35 4.22 2gk6B1 LEU 698 HB2 0.02 -0.06 0.10 -0.04 1.64 1.65 2gk6B1 LEU 698 HB3 0.05 0.08 0.03 -0.04 1.64 1.76 2gk6B1 LEU 698 HG 0.06 0.13 -0.05 -0.04 1.64 1.73 2gk6B1 LEU 698 HD13 0.04 -0.01 -0.31 -0.04 0.93 0.61 2gk6B1 LEU 698 HD23 0.06 -0.01 -0.16 -0.04 0.89 0.74 2gk6B1 GLN 699 H 0.02 0.01 0.16 -0.55 8.47 8.10 2gk6B1 GLN 699 HA -0.06 0.23 0.70 -0.75 4.36 4.48 2gk6B1 GLN 699 HB2 -0.01 -0.08 0.07 -0.04 2.15 2.10 2gk6B1 GLN 699 HB3 -0.03 0.09 0.09 -0.04 2.02 2.13 2gk6B1 GLN 699 HG2 -0.02 0.19 -0.15 -0.04 2.40 2.38 2gk6B1 GLN 699 HG3 -0.01 -0.03 -0.34 -0.04 2.39 1.97 2gk6B1 GLN 699 HE21 0.01 -0.03 0.00 -0.04 6.97 6.91 2gk6B1 GLN 699 HE22 0.02 0.01 -0.05 -0.04 7.69 7.63 2gk6B1 VAL 700 H -0.01 0.02 -0.02 -0.55 8.24 7.68 2gk6B1 VAL 700 HA -0.16 0.33 0.87 -0.75 4.13 4.41 2gk6B1 VAL 700 HB -0.03 -0.04 0.13 -0.04 2.12 2.15 2gk6B1 VAL 700 HG13 -0.57 0.01 -0.29 -0.04 0.97 0.07 2gk6B1 VAL 700 HG23 -0.02 -0.03 -0.06 -0.04 0.95 0.80 2gk6B1 GLN 701 H -0.20 0.64 0.29 -0.55 8.47 8.65 2gk6B1 GLN 701 HA -0.06 0.19 0.57 -0.75 4.36 4.30 2gk6B1 GLN 701 HB2 -0.07 0.05 0.02 -0.04 2.15 2.10 2gk6B1 GLN 701 HB3 -0.11 0.02 -0.07 -0.04 2.02 1.82 2gk6B1 GLN 701 HG2 -0.09 0.02 -0.03 -0.04 2.40 2.26 2gk6B1 GLN 701 HG3 -0.14 0.10 0.17 -0.04 2.39 2.48 2gk6B1 GLN 701 HE21 -0.08 0.55 -0.04 -0.04 6.97 7.37 2gk6B1 GLN 701 HE22 -0.09 -0.05 -0.05 -0.04 7.69 7.46 2gk6B1 TYR 702 H 0.15 0.65 0.25 -0.55 8.29 8.79 2gk6B1 TYR 702 HA -0.05 0.07 0.65 -0.75 4.56 4.47 2gk6B1 TYR 702 HB2 -0.04 0.02 0.09 -0.04 3.06 3.09 2gk6B1 TYR 702 HB3 -0.04 0.03 0.11 -0.04 2.98 3.04 2gk6B1 TYR 702 HD2 -0.03 0.16 0.01 -0.04 7.15 7.25 2gk6B1 TYR 702 HE2 -0.02 0.04 -0.02 -0.04 6.85 6.80 2gk6B1 ARG 703 H -0.02 0.04 -0.23 -0.55 8.46 7.70 2gk6B1 ARG 703 HA -0.01 0.19 0.73 -0.75 4.34 4.50 2gk6B1 ARG 703 HB2 0.00 -0.14 -0.09 -0.04 1.90 1.63 2gk6B1 ARG 703 HB3 -0.02 0.00 -0.03 -0.04 1.80 1.71 2gk6B1 ARG 703 HG2 -0.04 0.18 -0.55 -0.04 1.67 1.22 2gk6B1 ARG 703 HG3 -0.02 -0.07 -0.16 -0.04 1.67 1.38 2gk6B1 ARG 703 HD2 -0.02 0.03 -0.18 -0.04 3.22 3.02 2gk6B1 ARG 703 HD3 -0.02 0.11 -0.39 -0.04 3.22 2.88 2gk6B1 MET 704 H -0.06 -0.01 -0.01 -0.55 8.47 7.85 2gk6B1 MET 704 HA -0.12 0.38 1.04 -0.75 4.52 5.07 2gk6B1 MET 704 HB2 -0.04 -0.02 -0.04 -0.04 2.15 2.00 2gk6B1 MET 704 HB3 -0.05 0.23 -0.07 -0.04 2.03 2.10 2gk6B1 MET 704 HG2 -0.04 -0.14 -0.05 -0.04 2.63 2.36 2gk6B1 MET 704 HG3 -0.02 0.00 -0.28 -0.04 2.56 2.23 2gk6B1 MET 704 HE3 -0.02 -0.02 -0.07 -0.04 2.10 1.94 2gk6B1 HIS 705 H -0.06 0.56 0.23 -0.55 8.41 8.59 2gk6B1 HIS 705 HA -0.13 0.10 0.43 -0.75 4.63 4.28 2gk6B1 HIS 705 HB2 -0.18 0.28 0.31 -0.04 3.26 3.63 2gk6B1 HIS 705 HB3 -0.13 -0.19 0.13 -0.04 3.20 2.97 2gk6B1 HIS 705 HD2 -0.09 0.40 0.29 -0.04 6.97 7.52 2gk6B1 HIS 705 HE1 -0.06 0.04 0.09 -0.04 7.75 7.78 2gk6B1 PRO 706 HA -0.01 0.08 0.32 -0.51 4.44 4.32 2gk6B1 PRO 706 HB2 0.03 0.01 0.03 -0.04 2.28 2.31 2gk6B1 PRO 706 HB3 -0.02 0.03 0.09 -0.04 2.02 2.08 2gk6B1 PRO 706 HG2 -0.12 -0.16 0.10 -0.04 2.03 1.81 2gk6B1 PRO 706 HG3 -0.09 0.24 0.16 -0.04 2.03 2.30 2gk6B1 PRO 706 HD2 -0.48 0.05 0.01 -0.04 3.68 3.22 2gk6B1 PRO 706 HD3 -0.20 0.29 -0.11 -0.04 3.65 3.59 2gk6B1 ALA 707 H 0.34 0.11 -0.44 -0.55 8.40 7.87 2gk6B1 ALA 707 HA 0.05 0.06 0.42 -0.75 4.34 4.11 2gk6B1 ALA 707 HB3 -0.13 0.04 0.07 -0.04 1.41 1.35 2gk6B1 LEU 708 H -0.01 0.27 -0.13 -0.55 8.37 7.94 2gk6B1 LEU 708 HA 0.02 0.00 0.36 -0.75 4.35 3.97 2gk6B1 LEU 708 HB2 -0.01 0.10 -0.07 -0.04 1.64 1.62 2gk6B1 LEU 708 HB3 0.00 0.01 -0.02 -0.04 1.64 1.58 2gk6B1 LEU 708 HG -0.08 -0.01 0.00 -0.04 1.64 1.50 2gk6B1 LEU 708 HD13 -0.06 0.02 -0.36 -0.04 0.93 0.49 2gk6B1 LEU 708 HD23 -0.11 0.02 -0.06 -0.04 0.89 0.70 2gk6B1 SER 709 H 0.02 0.30 -0.49 -0.55 8.46 7.75 2gk6B1 SER 709 HA 0.04 0.09 0.38 -0.75 4.49 4.24 2gk6B1 SER 709 HB2 -0.02 -0.08 0.01 -0.04 3.95 3.82 2gk6B1 SER 709 HB3 -0.02 0.04 -0.08 -0.04 3.93 3.83 2gk6B1 ALA 710 H 0.06 0.44 -0.50 -0.55 8.40 7.86 2gk6B1 ALA 710 HA -0.00 0.04 0.24 -0.75 4.34 3.87 2gk6B1 ALA 710 HB3 0.07 0.02 0.10 -0.04 1.41 1.55 2gk6B1 PHE 711 H 0.13 0.25 -0.03 -0.55 8.34 8.14 2gk6B1 PHE 711 HA -0.36 0.04 0.41 -0.75 4.62 3.95 2gk6B1 PHE 711 HB2 -0.34 0.01 0.07 -0.04 3.15 2.84 2gk6B1 PHE 711 HB3 -0.01 0.12 0.10 -0.04 3.06 3.23 2gk6B1 PHE 711 HD2 -0.22 0.05 -0.15 -0.04 7.28 6.92 2gk6B1 PHE 711 HE2 -0.18 -0.01 -0.20 -0.04 7.38 6.96 2gk6B1 PHE 711 HZ -0.21 0.06 -0.04 -0.04 7.32 7.10 2gk6B1 PRO 712 HA 0.38 -0.01 0.43 -0.51 4.44 4.72 2gk6B1 PRO 712 HB2 0.19 0.07 -0.07 -0.04 2.28 2.43 2gk6B1 PRO 712 HB3 0.27 0.00 -0.00 -0.04 2.02 2.25 2gk6B1 PRO 712 HG2 0.14 0.26 0.01 -0.04 2.03 2.40 2gk6B1 PRO 712 HG3 0.28 -0.04 0.00 -0.04 2.03 2.24 2gk6B1 PRO 712 HD2 0.15 0.12 -0.29 -0.04 3.68 3.61 2gk6B1 PRO 712 HD3 0.34 0.04 0.10 -0.04 3.65 4.10 2gk6B1 SER 713 H 0.07 0.55 -0.34 -0.55 8.46 8.18 2gk6B1 SER 713 HA 0.24 -0.01 0.37 -0.75 4.49 4.34 2gk6B1 SER 713 HB2 0.02 0.05 0.08 -0.04 3.95 4.06 2gk6B1 SER 713 HB3 -0.00 0.21 0.15 -0.04 3.93 4.24 2gk6B1 ASN 714 H -0.14 0.54 -0.14 -0.55 8.53 8.25 2gk6B1 ASN 714 HA -0.10 -0.04 0.38 -0.75 4.76 4.24 2gk6B1 ASN 714 HB2 -0.32 0.08 0.18 -0.04 2.88 2.78 2gk6B1 ASN 714 HB3 -0.20 -0.04 0.01 -0.04 2.79 2.52 2gk6B1 ASN 714 HD21 -0.05 0.05 0.01 -0.04 7.03 6.99 2gk6B1 ASN 714 HD22 -0.07 -0.06 0.02 -0.04 7.74 7.58 2gk6B1 ILE 715 H -0.52 0.56 -0.01 -0.55 8.25 7.73 2gk6B1 ILE 715 HA -0.40 0.10 0.51 -0.75 4.18 3.63 2gk6B1 ILE 715 HB -1.23 0.16 0.11 -0.04 1.89 0.89 2gk6B1 ILE 715 HG12 -0.66 -0.03 -0.02 -0.04 1.49 0.74 2gk6B1 ILE 715 HG13 -0.35 -0.01 0.01 -0.04 1.21 0.82 2gk6B1 ILE 715 HG23 -1.40 -0.01 -0.15 -0.04 0.93 -0.68 2gk6B1 ILE 715 HD13 -0.48 0.00 -0.12 -0.04 0.88 0.25 2gk6B1 PHE 716 H -0.26 0.48 -0.06 -0.55 8.34 7.94 2gk6B1 PHE 716 HA -0.31 0.15 0.73 -0.75 4.62 4.44 2gk6B1 PHE 716 HB2 -0.45 0.21 0.07 -0.04 3.15 2.95 2gk6B1 PHE 716 HB3 -0.72 -0.06 0.08 -0.04 3.06 2.32 2gk6B1 PHE 716 HD2 -0.15 0.04 0.04 -0.04 7.28 7.16 2gk6B1 PHE 716 HE2 0.00 -0.06 -0.09 -0.04 7.38 7.19 2gk6B1 PHE 716 HZ -0.02 -0.06 -0.06 -0.04 7.32 7.13 2gk6B1 TYR 717 H -0.03 0.28 -0.19 -0.55 8.29 7.80 2gk6B1 TYR 717 HA 0.00 0.18 0.84 -0.75 4.56 4.82 2gk6B1 TYR 717 HB2 -0.01 0.05 0.17 -0.04 3.06 3.23 2gk6B1 TYR 717 HB3 -0.00 -0.05 0.16 -0.04 2.98 3.05 2gk6B1 TYR 717 HD2 0.03 0.06 -0.14 -0.04 7.15 7.06 2gk6B1 TYR 717 HE2 -0.04 -0.06 -0.12 -0.04 6.85 6.59 2gk6B1 GLU 718 H -0.05 0.18 -0.17 -0.55 8.60 8.02 2gk6B1 GLU 718 HA -0.04 0.09 0.31 -0.75 4.29 3.89 2gk6B1 GLU 718 HB2 0.03 0.09 -0.19 -0.04 2.09 1.97 2gk6B1 GLU 718 HB3 -0.00 -0.00 0.16 -0.04 1.99 2.10 2gk6B1 GLU 718 HG2 0.00 -0.01 -0.04 -0.04 2.34 2.26 2gk6B1 GLU 718 HG3 -0.03 0.03 -0.00 -0.04 2.34 2.30 2gk6B1 GLY 719 H -0.02 0.34 -0.19 -0.55 8.43 8.01 2gk6B1 GLY 719 HA2 -0.02 -0.09 -0.14 -0.51 4.01 3.25 2gk6B1 GLY 719 HA3 -0.03 0.00 0.35 -0.51 4.01 3.82 2gk6B1 SER 720 H 0.05 0.40 -0.16 -0.55 8.46 8.20 2gk6B1 SER 720 HA -0.01 0.15 0.56 -0.75 4.49 4.44 2gk6B1 SER 720 HB2 0.01 -0.08 0.08 -0.04 3.95 3.91 2gk6B1 SER 720 HB3 0.03 0.11 0.01 -0.04 3.93 4.03 2gk6B1 LEU 721 H -0.01 -0.03 -0.16 -0.55 8.37 7.63 2gk6B1 LEU 721 HA -0.07 0.17 0.51 -0.75 4.35 4.21 2gk6B1 LEU 721 HB2 -0.04 -0.07 0.06 -0.04 1.64 1.55 2gk6B1 LEU 721 HB3 -0.08 0.03 -0.03 -0.04 1.64 1.52 2gk6B1 LEU 721 HG -0.17 0.03 -0.02 -0.04 1.64 1.44 2gk6B1 LEU 721 HD13 -0.21 -0.01 -0.06 -0.04 0.93 0.61 2gk6B1 LEU 721 HD23 -0.19 -0.02 -0.05 -0.04 0.89 0.58 2gk6B1 GLN 722 H -0.09 0.64 0.48 -0.55 8.47 8.96 2gk6B1 GLN 722 HA -0.06 0.14 0.75 -0.75 4.36 4.44 2gk6B1 GLN 722 HB2 -0.08 -0.10 -0.05 -0.04 2.15 1.87 2gk6B1 GLN 722 HB3 -0.06 -0.03 0.07 -0.04 2.02 1.95 2gk6B1 GLN 722 HG2 -0.04 0.04 -0.08 -0.04 2.40 2.28 2gk6B1 GLN 722 HG3 -0.04 0.16 -0.41 -0.04 2.39 2.06 2gk6B1 GLN 722 HE21 -0.03 -0.11 -0.03 -0.04 6.97 6.77 2gk6B1 GLN 722 HE22 -0.03 0.23 -0.02 -0.04 7.69 7.82 2gk6B1 ASN 723 H -0.09 0.17 0.17 -0.55 8.53 8.24 2gk6B1 ASN 723 HA -0.18 0.23 1.00 -0.75 4.76 5.06 2gk6B1 ASN 723 HB2 -0.10 -0.03 0.17 -0.04 2.88 2.88 2gk6B1 ASN 723 HB3 -0.12 0.18 0.20 -0.04 2.79 3.00 2gk6B1 ASN 723 HD21 -0.04 0.06 0.01 -0.04 7.03 7.02 2gk6B1 ASN 723 HD22 -0.06 -0.03 0.10 -0.04 7.74 7.71 2gk6B1 GLY 724 H -0.42 0.60 0.14 -0.55 8.43 8.20 2gk6B1 GLY 724 HA2 -0.19 0.11 0.73 -0.51 4.01 4.15 2gk6B1 GLY 724 HA3 -0.65 -0.02 0.22 -0.51 4.01 3.05 2gk6B1 VAL 725 H -0.15 0.18 -0.03 -0.55 8.24 7.69 2gk6B1 VAL 725 HA -0.05 0.11 0.50 -0.75 4.13 3.94 2gk6B1 VAL 725 HB -0.11 0.02 -0.12 -0.04 2.12 1.88 2gk6B1 VAL 725 HG13 -0.00 0.01 -0.17 -0.04 0.97 0.77 2gk6B1 VAL 725 HG23 -0.11 0.01 -0.33 -0.04 0.95 0.47 2gk6B1 THR 726 H -0.09 0.09 0.06 -0.55 8.28 7.79 2gk6B1 THR 726 HA -0.12 0.24 0.78 -0.75 4.39 4.54 2gk6B1 THR 726 HB -0.08 -0.08 0.18 -0.04 4.32 4.30 2gk6B1 THR 726 HG23 -0.05 0.04 -0.08 -0.04 1.22 1.09 2gk6B1 ALA 727 H -0.17 0.17 0.18 -0.55 8.40 8.04 2gk6B1 ALA 727 HA -0.94 0.13 0.45 -0.75 4.34 3.22 2gk6B1 ALA 727 HB3 -0.15 0.03 0.14 -0.04 1.41 1.38 2gk6B1 ALA 728 H -0.10 0.02 -0.10 -0.55 8.40 7.67 2gk6B1 ALA 728 HA -0.01 0.20 0.48 -0.75 4.34 4.26 2gk6B1 ALA 728 HB3 -0.01 0.01 0.04 -0.04 1.41 1.41 2gk6B1 ASP 729 H -0.09 -0.06 -0.40 -0.55 8.40 7.30 2gk6B1 ASP 729 HA -0.02 0.08 0.54 -0.75 4.63 4.48 2gk6B1 ASP 729 HB2 -0.09 -0.28 0.13 -0.04 2.71 2.44 2gk6B1 ASP 729 HB3 -0.09 0.12 -0.07 -0.04 2.70 2.62 2gk6B1 ARG 730 H -0.18 0.24 -0.55 -0.55 8.46 7.42 2gk6B1 ARG 730 HA -0.44 0.14 0.74 -0.75 4.34 4.02 2gk6B1 ARG 730 HB2 -0.30 -0.04 0.16 -0.04 1.90 1.67 2gk6B1 ARG 730 HB3 -0.56 0.05 0.19 -0.04 1.80 1.44 2gk6B1 ARG 730 HG2 -0.24 -0.13 -0.48 -0.04 1.67 0.78 2gk6B1 ARG 730 HG3 -0.26 -0.05 -0.39 -0.04 1.67 0.93 2gk6B1 ARG 730 HD2 -0.62 0.04 -0.06 -0.04 3.22 2.53 2gk6B1 ARG 730 HD3 -0.65 0.03 -0.03 -0.04 3.22 2.53 2gk6B1 VAL 731 H 0.16 0.34 -0.27 -0.55 8.24 7.91 2gk6B1 VAL 731 HA 0.36 0.11 0.70 -0.75 4.13 4.55 2gk6B1 VAL 731 HB 0.12 -0.05 0.15 -0.04 2.12 2.29 2gk6B1 VAL 731 HG13 0.20 -0.02 -0.07 -0.04 0.97 1.04 2gk6B1 VAL 731 HG23 0.18 0.06 0.04 -0.04 0.95 1.20 2gk6B1 LYS 732 H 0.30 0.13 0.10 -0.55 8.42 8.39 2gk6B1 LYS 732 HA -0.02 0.07 0.44 -0.75 4.32 4.07 2gk6B1 LYS 732 HB2 -0.19 0.01 0.11 -0.04 1.87 1.77 2gk6B1 LYS 732 HB3 -0.14 0.01 -0.08 -0.04 1.79 1.54 2gk6B1 LYS 732 HG2 -0.49 -0.01 -0.01 -0.04 1.46 0.91 2gk6B1 LYS 732 HG3 -0.25 -0.01 0.06 -0.04 1.46 1.22 2gk6B1 LYS 732 HD2 -0.81 0.03 -0.08 -0.04 1.69 0.79 2gk6B1 LYS 732 HD3 -1.50 -0.00 -0.01 -0.04 1.68 0.12 2gk6B1 LYS 732 HE2 -0.31 0.01 0.01 -0.04 2.99 2.66 2gk6B1 LYS 732 HE3 -0.52 0.03 -0.01 -0.04 2.99 2.45 2gk6B1 LYS 733 H 0.02 0.16 0.17 -0.55 8.42 8.22 2gk6B1 LYS 733 HA 0.12 0.14 0.74 -0.75 4.32 4.57 2gk6B1 LYS 733 HB2 0.06 -0.01 0.01 -0.04 1.87 1.89 2gk6B1 LYS 733 HB3 0.07 0.08 0.04 -0.04 1.79 1.93 2gk6B1 LYS 733 HG2 0.03 -0.02 0.16 -0.04 1.46 1.59 2gk6B1 LYS 733 HG3 0.03 -0.00 0.03 -0.04 1.46 1.48 2gk6B1 LYS 733 HD2 0.04 0.04 0.04 -0.04 1.69 1.77 2gk6B1 LYS 733 HD3 0.04 -0.01 0.13 -0.04 1.68 1.79 2gk6B1 LYS 733 HE2 -0.00 -0.02 0.05 -0.04 2.99 2.98 2gk6B1 LYS 733 HE3 0.02 0.01 0.03 -0.04 2.99 3.00 2gk6B1 GLY 734 H 0.11 0.16 0.16 -0.55 8.43 8.32 2gk6B1 GLY 734 HA2 0.09 0.00 0.29 -0.51 4.01 3.89 2gk6B1 GLY 734 HA3 0.09 0.09 0.55 -0.51 4.01 4.22 2gk6B1 PHE 735 H 0.27 0.12 -0.31 -0.55 8.34 7.88 2gk6B1 PHE 735 HA 0.06 0.26 0.57 -0.75 4.62 4.75 2gk6B1 PHE 735 HB2 0.11 -0.08 -0.29 -0.04 3.15 2.85 2gk6B1 PHE 735 HB3 0.18 0.06 0.04 -0.04 3.06 3.29 2gk6B1 PHE 735 HD2 0.20 0.11 -0.05 -0.04 7.28 7.51 2gk6B1 PHE 735 HE2 0.01 -0.02 -0.11 -0.04 7.38 7.22 2gk6B1 PHE 735 HZ -0.84 -0.01 -0.06 -0.04 7.32 6.37 2gk6B1 ASP 736 H -0.03 0.40 0.09 -0.55 8.40 8.32 2gk6B1 ASP 736 HA -0.06 0.16 0.76 -0.75 4.63 4.73 2gk6B1 ASP 736 HB2 -0.03 0.07 0.16 -0.04 2.71 2.87 2gk6B1 ASP 736 HB3 -0.06 -0.03 0.15 -0.04 2.70 2.72 2gk6B1 PHE 737 H -0.44 0.32 -0.46 -0.55 8.34 7.21 2gk6B1 PHE 737 HA -0.43 0.13 0.66 -0.75 4.62 4.22 2gk6B1 PHE 737 HB2 -1.02 0.03 -0.09 -0.04 3.15 2.03 2gk6B1 PHE 737 HB3 -1.44 -0.03 0.02 -0.04 3.06 1.57 2gk6B1 PHE 737 HD2 -0.88 0.05 -0.23 -0.04 7.28 6.17 2gk6B1 PHE 737 HE2 -1.20 -0.04 -0.19 -0.04 7.38 5.90 2gk6B1 PHE 737 HZ -0.32 -0.05 -0.13 -0.04 7.32 6.78 2gk6B1 GLN 738 H -0.52 0.17 -0.03 -0.55 8.47 7.55 2gk6B1 GLN 738 HA -0.07 0.09 0.64 -0.75 4.36 4.26 2gk6B1 GLN 738 HB2 -0.11 0.12 -0.04 -0.04 2.15 2.08 2gk6B1 GLN 738 HB3 -0.11 -0.04 -0.02 -0.04 2.02 1.81 2gk6B1 GLN 738 HG2 -0.27 -0.04 0.06 -0.04 2.40 2.11 2gk6B1 GLN 738 HG3 -0.28 0.04 0.05 -0.04 2.39 2.15 2gk6B1 GLN 738 HE21 -0.09 -0.04 0.02 -0.04 6.97 6.81 2gk6B1 GLN 738 HE22 -0.15 0.05 0.04 -0.04 7.69 7.59 2gk6B1 TRP 739 H 0.30 0.13 0.13 -0.55 7.97 7.99 2gk6B1 TRP 739 HA -0.12 0.10 0.53 -0.75 4.62 4.37 2gk6B1 TRP 739 HB2 0.06 0.00 -0.14 -0.04 3.23 3.12 2gk6B1 TRP 739 HB3 0.11 0.08 0.07 -0.04 3.23 3.45 2gk6B1 TRP 739 HD1 0.19 -0.01 0.12 -0.04 7.22 7.48 2gk6B1 TRP 739 HE1 0.49 -0.03 0.03 -0.04 10.20 10.64 2gk6B1 TRP 739 HE3 0.61 0.07 -0.07 -0.04 7.59 8.17 2gk6B1 TRP 739 HZ2 0.52 -0.03 -0.09 -0.04 7.44 7.80 2gk6B1 TRP 739 HZ3 0.26 0.02 -0.28 -0.04 7.13 7.09 2gk6B1 TRP 739 HH2 0.27 -0.07 -0.23 -0.04 7.19 7.13 2gk6B1 PRO 740 HA -0.07 0.07 0.40 -0.51 4.44 4.33 2gk6B1 PRO 740 HB2 0.01 0.10 0.10 -0.04 2.28 2.44 2gk6B1 PRO 740 HB3 -0.08 0.08 0.09 -0.04 2.02 2.07 2gk6B1 PRO 740 HG2 -0.32 0.00 0.12 -0.04 2.03 1.79 2gk6B1 PRO 740 HG3 -0.49 -0.02 0.06 -0.04 2.03 1.53 2gk6B1 PRO 740 HD2 0.22 0.17 0.21 -0.04 3.68 4.23 2gk6B1 PRO 740 HD3 -0.48 0.12 0.19 -0.04 3.65 3.43 2gk6B1 GLN 741 H 0.13 0.21 -0.13 -0.55 8.47 8.13 2gk6B1 GLN 741 HA 0.04 0.18 0.76 -0.75 4.36 4.58 2gk6B1 GLN 741 HB2 0.02 0.10 0.01 -0.04 2.15 2.24 2gk6B1 GLN 741 HB3 -0.00 -0.09 0.08 -0.04 2.02 1.97 2gk6B1 GLN 741 HG2 -0.02 0.07 0.02 -0.04 2.40 2.42 2gk6B1 GLN 741 HG3 0.00 -0.14 0.02 -0.04 2.39 2.23 2gk6B1 GLN 741 HE21 0.00 -0.03 0.07 -0.04 6.97 6.97 2gk6B1 GLN 741 HE22 0.01 -0.11 0.07 -0.04 7.69 7.62 2gk6B1 PRO 742 HA 0.17 0.07 0.36 -0.51 4.44 4.53 2gk6B1 PRO 742 HB2 0.06 -0.08 0.11 -0.04 2.28 2.33 2gk6B1 PRO 742 HB3 0.09 0.03 0.07 -0.04 2.02 2.17 2gk6B1 PRO 742 HG2 0.04 -0.00 0.08 -0.04 2.03 2.11 2gk6B1 PRO 742 HG3 0.07 0.08 0.06 -0.04 2.03 2.20 2gk6B1 PRO 742 HD2 0.03 0.06 0.17 -0.04 3.68 3.91 2gk6B1 PRO 742 HD3 0.05 0.34 0.03 -0.04 3.65 4.03 2gk6B1 ASP 743 H 0.02 0.11 -0.10 -0.55 8.40 7.88 2gk6B1 ASP 743 HA 0.04 0.17 0.63 -0.75 4.63 4.71 2gk6B1 ASP 743 HB2 0.04 -0.03 0.09 -0.04 2.71 2.77 2gk6B1 ASP 743 HB3 0.02 0.02 0.08 -0.04 2.70 2.78 2gk6B1 LYS 744 H -0.12 0.52 -0.73 -0.55 8.42 7.54 2gk6B1 LYS 744 HA -0.30 0.06 0.73 -0.75 4.32 4.06 2gk6B1 LYS 744 HB2 -0.08 0.05 0.11 -0.04 1.87 1.91 2gk6B1 LYS 744 HB3 -0.15 -0.03 0.10 -0.04 1.79 1.68 2gk6B1 LYS 744 HG2 -0.13 -0.02 -0.02 -0.04 1.46 1.25 2gk6B1 LYS 744 HG3 -0.10 0.06 0.01 -0.04 1.46 1.39 2gk6B1 LYS 744 HD2 -0.04 -0.07 -0.39 -0.04 1.69 1.15 2gk6B1 LYS 744 HD3 -0.05 0.02 -0.14 -0.04 1.68 1.47 2gk6B1 LYS 744 HE2 -0.06 -0.04 -0.03 -0.04 2.99 2.82 2gk6B1 LYS 744 HE3 -0.03 -0.06 -0.05 -0.04 2.99 2.81 2gk6B1 PRO 745 HA -2.22 0.10 0.59 -0.51 4.44 2.40 2gk6B1 PRO 745 HB2 -0.60 -0.04 0.51 -0.04 2.28 2.10 2gk6B1 PRO 745 HB3 -0.98 0.04 0.33 -0.04 2.02 1.36 2gk6B1 PRO 745 HG2 -0.73 0.09 0.24 -0.04 2.03 1.59 2gk6B1 PRO 745 HG3 -0.55 0.07 0.17 -0.04 2.03 1.68 2gk6B1 PRO 745 HD2 -0.90 -0.05 0.10 -0.04 3.68 2.79 2gk6B1 PRO 745 HD3 -0.84 0.13 -0.22 -0.04 3.65 2.68 2gk6B1 MET 746 H -0.08 0.79 0.25 -0.55 8.47 8.88 2gk6B1 MET 746 HA 0.20 0.51 0.88 -0.75 4.52 5.35 2gk6B1 MET 746 HB2 0.08 -0.08 0.02 -0.04 2.15 2.13 2gk6B1 MET 746 HB3 -0.08 -0.00 -0.21 -0.04 2.03 1.70 2gk6B1 MET 746 HG2 -0.18 -0.03 -0.29 -0.04 2.63 2.08 2gk6B1 MET 746 HG3 -0.26 0.00 -0.20 -0.04 2.56 2.06 2gk6B1 MET 746 HE3 -0.43 -0.00 -0.09 -0.04 2.10 1.53 2gk6B1 PHE 747 H 0.18 0.30 0.35 -0.55 8.34 8.62 2gk6B1 PHE 747 HA 0.33 0.08 0.29 -0.75 4.62 4.57 2gk6B1 PHE 747 HB2 0.27 0.05 0.15 -0.04 3.15 3.57 2gk6B1 PHE 747 HB3 0.26 0.25 0.49 -0.04 3.06 4.02 2gk6B1 PHE 747 HD2 0.49 0.02 -0.37 -0.04 7.28 7.37 2gk6B1 PHE 747 HE2 0.02 -0.02 -0.11 -0.04 7.38 7.24 2gk6B1 PHE 747 HZ -0.03 -0.01 -0.07 -0.04 7.32 7.17 2gk6B1 PHE 748 H 0.73 0.41 0.26 -0.55 8.34 9.19 2gk6B1 PHE 748 HA 0.15 0.15 0.95 -0.75 4.62 5.11 2gk6B1 PHE 748 HB2 -0.07 -0.02 0.07 -0.04 3.15 3.10 2gk6B1 PHE 748 HB3 0.17 -0.03 0.20 -0.04 3.06 3.36 2gk6B1 PHE 748 HD2 0.06 -0.01 -0.33 -0.04 7.28 6.97 2gk6B1 PHE 748 HE2 -0.04 0.01 -0.25 -0.04 7.38 7.06 2gk6B1 PHE 748 HZ -0.12 -0.19 -0.44 -0.04 7.32 6.53 2gk6B1 TYR 749 H 0.01 0.62 0.28 -0.55 8.29 8.65 2gk6B1 TYR 749 HA 0.26 0.11 0.61 -0.75 4.56 4.78 2gk6B1 TYR 749 HB2 0.14 0.07 0.03 -0.04 3.06 3.26 2gk6B1 TYR 749 HB3 -0.07 -0.10 0.14 -0.04 2.98 2.91 2gk6B1 TYR 749 HD2 0.13 -0.04 -0.17 -0.04 7.15 7.03 2gk6B1 TYR 749 HE2 0.04 0.04 -0.16 -0.04 6.85 6.73 2gk6B1 VAL 750 H -0.05 0.55 0.24 -0.55 8.24 8.43 2gk6B1 VAL 750 HA 0.21 0.11 0.58 -0.75 4.13 4.28 2gk6B1 VAL 750 HB -0.05 -0.02 0.28 -0.04 2.12 2.29 2gk6B1 VAL 750 HG13 0.01 -0.05 -0.07 -0.04 0.97 0.82 2gk6B1 VAL 750 HG23 0.17 0.05 -0.02 -0.04 0.95 1.11 2gk6B1 THR 751 H -0.04 0.57 0.36 -0.55 8.28 8.62 2gk6B1 THR 751 HA -0.12 0.12 0.76 -0.75 4.39 4.39 2gk6B1 THR 751 HB -0.02 -0.03 0.09 -0.04 4.32 4.32 2gk6B1 THR 751 HG23 0.01 -0.04 -0.35 -0.04 1.22 0.80 2gk6B1 GLN 752 H -0.05 0.25 0.02 -0.55 8.47 8.14 2gk6B1 GLN 752 HA -0.02 0.06 0.73 -0.75 4.36 4.38 2gk6B1 GLN 752 HB2 -0.03 0.02 0.18 -0.04 2.15 2.29 2gk6B1 GLN 752 HB3 -0.02 0.01 0.04 -0.04 2.02 2.01 2gk6B1 GLN 752 HG2 -0.02 0.01 -0.00 -0.04 2.40 2.35 2gk6B1 GLN 752 HG3 -0.02 -0.03 -0.11 -0.04 2.39 2.18 2gk6B1 GLN 752 HE21 -0.03 0.02 -0.01 -0.04 6.97 6.92 2gk6B1 GLN 752 HE22 -0.02 -0.02 -0.02 -0.04 7.69 7.59 2gk6B1 GLY 753 H -0.03 0.32 0.12 -0.55 8.43 8.30 2gk6B1 GLY 753 HA2 -0.03 0.16 0.69 -0.51 4.01 4.32 2gk6B1 GLY 753 HA3 -0.03 -0.07 0.13 -0.51 4.01 3.52 2gk6B1 GLN 754 H -0.04 0.10 0.17 -0.55 8.47 8.15 2gk6B1 GLN 754 HA -0.04 0.19 0.62 -0.75 4.36 4.38 2gk6B1 GLN 754 HB2 -0.03 -0.01 0.12 -0.04 2.15 2.18 2gk6B1 GLN 754 HB3 -0.05 -0.02 -0.08 -0.04 2.02 1.83 2gk6B1 GLN 754 HG2 -0.03 0.02 -0.02 -0.04 2.40 2.34 2gk6B1 GLN 754 HG3 -0.03 0.03 -0.02 -0.04 2.39 2.34 2gk6B1 GLN 754 HE21 -0.03 0.08 0.10 -0.04 6.97 7.09 2gk6B1 GLN 754 HE22 -0.03 0.02 0.05 -0.04 7.69 7.69 2gk6B1 GLU 755 H -0.05 0.24 0.21 -0.55 8.60 8.46 2gk6B1 GLU 755 HA -0.08 0.17 1.03 -0.75 4.29 4.66 2gk6B1 GLU 755 HB2 -0.04 -0.01 -0.01 -0.04 2.09 1.98 2gk6B1 GLU 755 HB3 -0.11 0.11 0.00 -0.04 1.99 1.95 2gk6B1 GLU 755 HG2 -0.09 0.05 0.15 -0.04 2.34 2.40 2gk6B1 GLU 755 HG3 -0.05 -0.04 0.25 -0.04 2.34 2.45 2gk6B1 GLU 756 H -0.08 0.26 0.26 -0.55 8.60 8.50 2gk6B1 GLU 756 HA -0.03 0.22 0.86 -0.75 4.29 4.59 2gk6B1 GLU 756 HB2 -0.06 -0.01 0.11 -0.04 2.09 2.09 2gk6B1 GLU 756 HB3 -0.06 0.01 0.03 -0.04 1.99 1.93 2gk6B1 GLU 756 HG2 -0.12 0.03 0.07 -0.04 2.34 2.28 2gk6B1 GLU 756 HG3 -0.09 -0.05 -0.18 -0.04 2.34 1.98 2gk6B1 ILE 757 H -0.10 0.19 0.04 -0.55 8.25 7.83 2gk6B1 ILE 757 HA -0.28 0.21 0.94 -0.75 4.18 4.30 2gk6B1 ILE 757 HB -0.17 -0.01 0.20 -0.04 1.89 1.86 2gk6B1 ILE 757 HG12 -0.91 0.01 -0.17 -0.04 1.49 0.37 2gk6B1 ILE 757 HG13 -0.16 -0.10 -0.20 -0.04 1.21 0.71 2gk6B1 ILE 757 HG23 -0.35 0.01 0.02 -0.04 0.93 0.57 2gk6B1 ILE 757 HD13 -0.16 0.01 -0.01 -0.04 0.88 0.68 2gk6B1 ALA 758 H -0.11 0.11 -0.16 -0.55 8.40 7.70 2gk6B1 ALA 758 HA -0.05 -0.06 0.23 -0.75 4.34 3.70 2gk6B1 ALA 758 HB3 -0.03 0.02 -0.05 -0.04 1.41 1.30 2gk6B1 SER 759 H -0.02 0.04 0.13 -0.55 8.46 8.06 2gk6B1 SER 759 HA -0.03 0.03 0.39 -0.75 4.49 4.13 2gk6B1 SER 759 HB2 -0.01 -0.03 0.17 -0.04 3.95 4.04 2gk6B1 SER 759 HB3 0.00 0.00 0.19 -0.04 3.93 4.08 2gk6B1 SER 760 H -0.03 0.08 0.23 -0.55 8.46 8.19 2gk6B1 SER 760 HA 0.00 0.07 0.48 -0.75 4.49 4.29 2gk6B1 SER 760 HB2 0.01 -0.04 -0.01 -0.04 3.95 3.87 2gk6B1 SER 760 HB3 0.01 0.12 -0.09 -0.04 3.93 3.93 2gk6B1 GLY 761 H -0.04 0.32 0.11 -0.55 8.43 8.27 2gk6B1 GLY 761 HA2 -0.03 0.08 0.35 -0.51 4.01 3.90 2gk6B1 GLY 761 HA3 -0.01 0.07 0.50 -0.51 4.01 4.06 2gk6B1 THR 762 H -0.01 0.21 0.07 -0.55 8.28 8.00 2gk6B1 THR 762 HA -0.10 0.16 0.82 -0.75 4.39 4.52 2gk6B1 THR 762 HB -0.01 0.03 0.08 -0.04 4.32 4.38 2gk6B1 THR 762 HG23 0.02 0.00 0.15 -0.04 1.22 1.36 2gk6B1 SER 763 H -0.16 0.44 -0.06 -0.55 8.46 8.13 2gk6B1 SER 763 HA 0.10 0.03 0.44 -0.75 4.49 4.32 2gk6B1 SER 763 HB2 0.04 0.14 -0.23 -0.04 3.95 3.86 2gk6B1 SER 763 HB3 0.01 0.05 -0.08 -0.04 3.93 3.87 2gk6B1 TYR 764 H 0.08 0.08 0.14 -0.55 8.29 8.04 2gk6B1 TYR 764 HA -0.18 0.32 0.87 -0.75 4.56 4.82 2gk6B1 TYR 764 HB2 -1.14 -0.07 0.01 -0.04 3.06 1.81 2gk6B1 TYR 764 HB3 -0.44 0.00 0.04 -0.04 2.98 2.54 2gk6B1 TYR 764 HD2 -0.17 -0.00 -0.10 -0.04 7.15 6.83 2gk6B1 TYR 764 HE2 -0.03 0.03 -0.08 -0.04 6.85 6.73 2gk6B1 LEU 765 H -0.06 0.52 0.21 -0.55 8.37 8.50 2gk6B1 LEU 765 HA -0.07 -0.04 0.32 -0.75 4.35 3.81 2gk6B1 LEU 765 HB2 -0.08 0.05 -0.24 -0.04 1.64 1.33 2gk6B1 LEU 765 HB3 -0.05 0.04 -0.50 -0.04 1.64 1.09 2gk6B1 LEU 765 HG -0.28 -0.08 -0.30 -0.04 1.64 0.94 2gk6B1 LEU 765 HD13 -0.31 0.04 -0.13 -0.04 0.93 0.49 2gk6B1 LEU 765 HD23 -0.12 0.07 -0.10 -0.04 0.89 0.70 2gk6B1 ASN 766 H -0.08 0.15 0.06 -0.55 8.53 8.12 2gk6B1 ASN 766 HA -0.11 0.33 1.07 -0.75 4.76 5.29 2gk6B1 ASN 766 HB2 -0.08 0.08 0.09 -0.04 2.88 2.93 2gk6B1 ASN 766 HB3 -0.06 -0.10 0.13 -0.04 2.79 2.72 2gk6B1 ASN 766 HD21 -0.06 0.18 -0.28 -0.04 7.03 6.83 2gk6B1 ASN 766 HD22 -0.08 0.38 -0.01 -0.04 7.74 7.99 2gk6B1 ARG 767 H -0.17 0.35 0.21 -0.55 8.46 8.30 2gk6B1 ARG 767 HA -0.44 0.10 0.27 -0.75 4.34 3.52 2gk6B1 ARG 767 HB2 -0.23 0.02 0.12 -0.04 1.90 1.77 2gk6B1 ARG 767 HB3 -0.12 -0.02 0.10 -0.04 1.80 1.73 2gk6B1 ARG 767 HG2 -0.05 0.03 -0.09 -0.04 1.67 1.51 2gk6B1 ARG 767 HG3 -0.26 0.02 0.03 -0.04 1.67 1.42 2gk6B1 ARG 767 HD2 -0.07 -0.01 -0.00 -0.04 3.22 3.09 2gk6B1 ARG 767 HD3 0.01 0.06 -0.02 -0.04 3.22 3.23 2gk6B1 THR 768 H -0.08 0.12 -0.09 -0.55 8.28 7.69 2gk6B1 THR 768 HA -0.04 0.16 0.47 -0.75 4.39 4.23 2gk6B1 THR 768 HB -0.03 -0.07 -0.02 -0.04 4.32 4.16 2gk6B1 THR 768 HG23 0.00 0.06 -0.11 -0.04 1.22 1.13 2gk6B1 GLU 769 H -0.05 0.09 -0.36 -0.55 8.60 7.74 2gk6B1 GLU 769 HA 0.01 0.08 0.32 -0.75 4.29 3.94 2gk6B1 GLU 769 HB2 -0.03 -0.05 -0.02 -0.04 2.09 1.95 2gk6B1 GLU 769 HB3 -0.02 0.05 -0.09 -0.04 1.99 1.90 2gk6B1 GLU 769 HG2 -0.00 0.03 -0.10 -0.04 2.34 2.23 2gk6B1 GLU 769 HG3 -0.01 0.00 -0.14 -0.04 2.34 2.16 2gk6B1 ALA 770 H -0.05 0.43 -0.24 -0.55 8.40 7.99 2gk6B1 ALA 770 HA 0.01 0.05 0.41 -0.75 4.34 4.06 2gk6B1 ALA 770 HB3 0.07 0.05 -0.02 -0.04 1.41 1.47 2gk6B1 ALA 771 H -0.13 0.24 -0.41 -0.55 8.40 7.55 2gk6B1 ALA 771 HA -0.04 0.10 0.47 -0.75 4.34 4.13 2gk6B1 ALA 771 HB3 -0.02 0.07 0.09 -0.04 1.41 1.51 2gk6B1 ASN 772 H 0.02 0.29 -0.21 -0.55 8.53 8.09 2gk6B1 ASN 772 HA 0.05 0.05 0.43 -0.75 4.76 4.54 2gk6B1 ASN 772 HB2 0.11 0.06 0.08 -0.04 2.88 3.09 2gk6B1 ASN 772 HB3 0.18 0.01 -0.04 -0.04 2.79 2.91 2gk6B1 ASN 772 HD21 0.18 -0.01 -0.06 -0.04 7.03 7.11 2gk6B1 ASN 772 HD22 0.25 -0.00 -0.03 -0.04 7.74 7.92 2gk6B1 VAL 773 H 0.02 0.48 -0.17 -0.55 8.24 8.02 2gk6B1 VAL 773 HA -0.02 0.06 0.41 -0.75 4.13 3.83 2gk6B1 VAL 773 HB 0.02 0.09 0.07 -0.04 2.12 2.25 2gk6B1 VAL 773 HG13 0.02 -0.00 -0.16 -0.04 0.97 0.78 2gk6B1 VAL 773 HG23 0.01 0.03 -0.04 -0.04 0.95 0.90 2gk6B1 GLU 774 H 0.04 0.35 -0.43 -0.55 8.60 8.01 2gk6B1 GLU 774 HA -0.05 0.04 0.42 -0.75 4.29 3.95 2gk6B1 GLU 774 HB2 0.05 -0.01 0.05 -0.04 2.09 2.14 2gk6B1 GLU 774 HB3 0.21 0.15 0.18 -0.04 1.99 2.49 2gk6B1 GLU 774 HG2 0.14 0.05 0.01 -0.04 2.34 2.50 2gk6B1 GLU 774 HG3 0.06 0.04 -0.22 -0.04 2.34 2.19 2gk6B1 LYS 775 H 0.02 0.38 -0.21 -0.55 8.42 8.06 2gk6B1 LYS 775 HA 0.01 0.02 0.39 -0.75 4.32 3.99 2gk6B1 LYS 775 HB2 -0.03 0.13 0.13 -0.04 1.87 2.06 2gk6B1 LYS 775 HB3 -0.02 -0.05 0.02 -0.04 1.79 1.70 2gk6B1 LYS 775 HG2 0.03 -0.03 0.02 -0.04 1.46 1.44 2gk6B1 LYS 775 HG3 0.05 0.21 0.09 -0.04 1.46 1.77 2gk6B1 LYS 775 HD2 0.03 -0.01 -0.00 -0.04 1.69 1.67 2gk6B1 LYS 775 HD3 0.02 -0.06 0.00 -0.04 1.68 1.60 2gk6B1 LYS 775 HE2 0.07 0.07 -0.08 -0.04 2.99 3.02 2gk6B1 LYS 775 HE3 0.07 -0.05 -0.08 -0.04 2.99 2.88 2gk6B1 ILE 776 H -0.04 0.43 -0.26 -0.55 8.25 7.83 2gk6B1 ILE 776 HA -0.00 0.05 0.38 -0.75 4.18 3.85 2gk6B1 ILE 776 HB -0.04 0.14 0.09 -0.04 1.89 2.04 2gk6B1 ILE 776 HG12 -0.11 0.41 0.09 -0.04 1.49 1.84 2gk6B1 ILE 776 HG13 -0.11 -0.04 -0.07 -0.04 1.21 0.94 2gk6B1 ILE 776 HG23 -0.05 -0.00 -0.14 -0.04 0.93 0.70 2gk6B1 ILE 776 HD13 -0.20 -0.03 -0.07 -0.04 0.88 0.53 2gk6B1 THR 777 H -0.00 0.51 -0.25 -0.55 8.28 7.99 2gk6B1 THR 777 HA -0.00 0.04 0.32 -0.75 4.39 3.99 2gk6B1 THR 777 HB 0.02 0.08 0.13 -0.04 4.32 4.50 2gk6B1 THR 777 HG23 0.15 -0.01 -0.11 -0.04 1.22 1.21 2gk6B1 THR 778 H 0.05 0.60 -0.13 -0.55 8.28 8.25 2gk6B1 THR 778 HA 0.14 0.00 0.45 -0.75 4.39 4.23 2gk6B1 THR 778 HB 0.04 0.11 0.12 -0.04 4.32 4.56 2gk6B1 THR 778 HG23 0.05 -0.02 -0.08 -0.04 1.22 1.14 2gk6B1 LYS 779 H 0.03 0.44 -0.37 -0.55 8.42 7.96 2gk6B1 LYS 779 HA 0.02 0.03 0.34 -0.75 4.32 3.96 2gk6B1 LYS 779 HB2 0.02 0.08 0.09 -0.04 1.87 2.02 2gk6B1 LYS 779 HB3 0.17 0.09 0.05 -0.04 1.79 2.06 2gk6B1 LYS 779 HG2 0.17 0.01 -0.12 -0.04 1.46 1.47 2gk6B1 LYS 779 HG3 -0.02 -0.03 0.00 -0.04 1.46 1.37 2gk6B1 LYS 779 HD2 -0.09 -0.09 -0.10 -0.04 1.69 1.36 2gk6B1 LYS 779 HD3 -0.15 0.02 -0.10 -0.04 1.68 1.42 2gk6B1 LYS 779 HE2 -0.22 -0.01 -0.04 -0.04 2.99 2.68 2gk6B1 LYS 779 HE3 -0.24 -0.04 -0.17 -0.04 2.99 2.50 2gk6B1 LEU 780 H -0.06 0.46 -0.23 -0.55 8.37 8.00 2gk6B1 LEU 780 HA -0.31 0.04 0.41 -0.75 4.35 3.73 2gk6B1 LEU 780 HB2 -0.15 0.11 0.07 -0.04 1.64 1.63 2gk6B1 LEU 780 HB3 -0.30 -0.05 -0.11 -0.04 1.64 1.14 2gk6B1 LEU 780 HG -0.59 0.04 -0.05 -0.04 1.64 1.00 2gk6B1 LEU 780 HD13 -0.20 -0.01 -0.19 -0.04 0.93 0.48 2gk6B1 LEU 780 HD23 -1.14 -0.01 -0.09 -0.04 0.89 -0.40 2gk6B1 LEU 781 H -0.01 0.34 -0.33 -0.55 8.37 7.82 2gk6B1 LEU 781 HA -0.01 0.34 0.32 -0.75 4.35 4.24 2gk6B1 LEU 781 HB2 0.01 0.00 0.11 -0.04 1.64 1.72 2gk6B1 LEU 781 HB3 -0.03 -0.07 -0.04 -0.04 1.64 1.46 2gk6B1 LEU 781 HG 0.02 0.10 -0.02 -0.04 1.64 1.70 2gk6B1 LEU 781 HD13 0.06 -0.05 -0.16 -0.04 0.93 0.74 2gk6B1 LEU 781 HD23 -0.00 0.05 -0.12 -0.04 0.89 0.77 2gk6B1 LYS 782 H 0.01 0.54 -0.06 -0.55 8.42 8.35 2gk6B1 LYS 782 HA 0.00 0.08 0.55 -0.75 4.32 4.19 2gk6B1 LYS 782 HB2 -0.01 -0.05 0.13 -0.04 1.87 1.90 2gk6B1 LYS 782 HB3 -0.00 -0.05 0.09 -0.04 1.79 1.78 2gk6B1 LYS 782 HG2 0.01 0.17 -0.02 -0.04 1.46 1.57 2gk6B1 LYS 782 HG3 -0.00 0.11 -0.22 -0.04 1.46 1.31 2gk6B1 LYS 782 HD2 -0.02 -0.03 -0.06 -0.04 1.69 1.54 2gk6B1 LYS 782 HD3 -0.01 -0.01 -0.01 -0.04 1.68 1.60 2gk6B1 LYS 782 HE2 -0.01 -0.04 -0.02 -0.04 2.99 2.88 2gk6B1 LYS 782 HE3 -0.01 -0.01 -0.00 -0.04 2.99 2.93 2gk6B1 ALA 783 H 0.03 0.11 -0.88 -0.55 8.40 7.12 2gk6B1 ALA 783 HA 0.01 0.15 0.81 -0.75 4.34 4.55 2gk6B1 ALA 783 HB3 -0.07 -0.01 -0.04 -0.04 1.41 1.24 2gk6B1 GLY 784 H 0.08 0.30 -0.29 -0.55 8.43 7.97 2gk6B1 GLY 784 HA2 0.08 -0.02 0.24 -0.51 4.01 3.80 2gk6B1 GLY 784 HA3 0.20 0.12 0.77 -0.51 4.01 4.59 2gk6B1 ALA 785 H 0.17 0.20 0.01 -0.55 8.40 8.23 2gk6B1 ALA 785 HA -0.06 -0.08 0.25 -0.75 4.34 3.69 2gk6B1 ALA 785 HB3 -0.15 0.01 -0.05 -0.04 1.41 1.17 2gk6B1 LYS 786 H 0.00 0.01 0.14 -0.55 8.42 8.02 2gk6B1 LYS 786 HA 0.00 0.21 0.50 -0.75 4.32 4.28 2gk6B1 LYS 786 HB2 0.01 -0.13 0.02 -0.04 1.87 1.73 2gk6B1 LYS 786 HB3 0.00 0.01 0.12 -0.04 1.79 1.88 2gk6B1 LYS 786 HG2 -0.02 -0.04 0.10 -0.04 1.46 1.46 2gk6B1 LYS 786 HG3 -0.01 -0.01 0.04 -0.04 1.46 1.45 2gk6B1 LYS 786 HD2 -0.01 -0.02 0.03 -0.04 1.69 1.65 2gk6B1 LYS 786 HD3 -0.01 0.19 -0.05 -0.04 1.68 1.77 2gk6B1 LYS 786 HE2 -0.01 0.08 -0.01 -0.04 2.99 3.01 2gk6B1 LYS 786 HE3 -0.03 -0.05 -0.02 -0.04 2.99 2.85 2gk6B1 PRO 787 HA 0.04 0.11 0.39 -0.51 4.44 4.47 2gk6B1 PRO 787 HB2 0.02 -0.03 0.05 -0.04 2.28 2.27 2gk6B1 PRO 787 HB3 0.01 0.31 0.15 -0.04 2.02 2.45 2gk6B1 PRO 787 HG2 -0.02 0.01 0.14 -0.04 2.03 2.12 2gk6B1 PRO 787 HG3 -0.03 0.05 0.14 -0.04 2.03 2.15 2gk6B1 PRO 787 HD2 0.00 0.04 0.22 -0.04 3.68 3.90 2gk6B1 PRO 787 HD3 -0.01 0.22 0.27 -0.04 3.65 4.09 2gk6B1 ASP 788 H 0.03 0.09 -0.11 -0.55 8.40 7.86 2gk6B1 ASP 788 HA 0.06 0.34 0.46 -0.75 4.63 4.73 2gk6B1 ASP 788 HB2 0.03 0.04 0.18 -0.04 2.71 2.93 2gk6B1 ASP 788 HB3 0.02 -0.02 0.11 -0.04 2.70 2.77 2gk6B1 GLN 789 H 0.06 0.27 -0.69 -0.55 8.47 7.57 2gk6B1 GLN 789 HA 0.07 0.15 0.85 -0.75 4.36 4.67 2gk6B1 GLN 789 HB2 0.06 0.10 0.08 -0.04 2.15 2.35 2gk6B1 GLN 789 HB3 0.04 -0.16 0.27 -0.04 2.02 2.13 2gk6B1 GLN 789 HG2 0.02 -0.04 -0.13 -0.04 2.40 2.21 2gk6B1 GLN 789 HG3 -0.01 0.00 0.04 -0.04 2.39 2.38 2gk6B1 GLN 789 HE21 0.03 0.05 0.01 -0.04 6.97 7.01 2gk6B1 GLN 789 HE22 0.02 -0.07 -0.18 -0.04 7.69 7.42 2gk6B1 ILE 790 H 0.10 0.50 -0.11 -0.55 8.25 8.19 2gk6B1 ILE 790 HA 0.17 0.16 0.86 -0.75 4.18 4.61 2gk6B1 ILE 790 HB 0.09 0.16 0.17 -0.04 1.89 2.27 2gk6B1 ILE 790 HG12 0.09 -0.04 -0.11 -0.04 1.49 1.40 2gk6B1 ILE 790 HG13 0.10 0.06 -0.35 -0.04 1.21 0.98 2gk6B1 ILE 790 HG23 0.07 -0.03 -0.20 -0.04 0.93 0.72 2gk6B1 ILE 790 HD13 -0.01 -0.02 -0.18 -0.04 0.88 0.63 2gk6B1 GLY 791 H 0.08 0.62 0.29 -0.55 8.43 8.88 2gk6B1 GLY 791 HA2 0.21 0.25 0.96 -0.51 4.01 4.93 2gk6B1 GLY 791 HA3 0.07 -0.02 0.28 -0.51 4.01 3.84 2gk6B1 ILE 792 H 0.17 0.77 0.27 -0.55 8.25 8.91 2gk6B1 ILE 792 HA 0.01 0.17 1.03 -0.75 4.18 4.63 2gk6B1 ILE 792 HB 0.11 -0.01 0.09 -0.04 1.89 2.04 2gk6B1 ILE 792 HG12 0.04 0.00 -0.10 -0.04 1.49 1.39 2gk6B1 ILE 792 HG13 0.07 -0.01 -0.29 -0.04 1.21 0.95 2gk6B1 ILE 792 HG23 0.07 -0.02 -0.16 -0.04 0.93 0.79 2gk6B1 ILE 792 HD13 0.05 -0.00 -0.15 -0.04 0.88 0.73 2gk6B1 ILE 793 H -0.04 0.57 0.27 -0.55 8.25 8.50 2gk6B1 ILE 793 HA 0.14 0.43 1.00 -0.75 4.18 4.99 2gk6B1 ILE 793 HB -0.16 -0.06 0.06 -0.04 1.89 1.69 2gk6B1 ILE 793 HG12 -0.90 0.09 -0.32 -0.04 1.49 0.32 2gk6B1 ILE 793 HG13 -0.46 0.01 -0.30 -0.04 1.21 0.42 2gk6B1 ILE 793 HG23 0.11 -0.03 -0.22 -0.04 0.93 0.75 2gk6B1 ILE 793 HD13 -0.44 0.01 -0.10 -0.04 0.88 0.30 2gk6B1 THR 794 H 0.22 0.65 0.31 -0.55 8.28 8.91 2gk6B1 THR 794 HA 0.38 0.19 0.77 -0.75 4.39 4.97 2gk6B1 THR 794 HB 0.16 0.07 -0.00 -0.04 4.32 4.51 2gk6B1 THR 794 HG23 0.14 0.01 -0.15 -0.04 1.22 1.18 2gk6B1 PRO 795 HA -0.12 -0.01 0.53 -0.51 4.44 4.33 2gk6B1 PRO 795 HB2 -0.98 0.12 -0.10 -0.04 2.28 1.28 2gk6B1 PRO 795 HB3 -0.50 -0.10 0.09 -0.04 2.02 1.46 2gk6B1 PRO 795 HG2 -0.67 0.10 0.08 -0.04 2.03 1.50 2gk6B1 PRO 795 HG3 -1.55 -0.11 0.10 -0.04 2.03 0.42 2gk6B1 PRO 795 HD2 -0.04 0.00 0.34 -0.04 3.68 3.94 2gk6B1 PRO 795 HD3 -0.16 0.30 0.31 -0.04 3.65 4.05 2gk6B1 TYR 796 H 0.12 0.10 -0.14 -0.55 8.29 7.82 2gk6B1 TYR 796 HA 0.03 0.25 0.86 -0.75 4.56 4.94 2gk6B1 TYR 796 HB2 0.03 -0.08 0.08 -0.04 3.06 3.05 2gk6B1 TYR 796 HB3 0.06 -0.03 0.15 -0.04 2.98 3.12 2gk6B1 TYR 796 HD2 0.03 -0.05 0.05 -0.04 7.15 7.14 2gk6B1 TYR 796 HE2 -0.05 0.02 0.01 -0.04 6.85 6.79 2gk6B1 GLU 797 H 0.14 0.24 0.21 -0.55 8.60 8.66 2gk6B1 GLU 797 HA 0.09 0.13 0.53 -0.75 4.29 4.28 2gk6B1 GLU 797 HB2 0.07 0.06 0.13 -0.04 2.09 2.30 2gk6B1 GLU 797 HB3 0.08 0.01 0.10 -0.04 1.99 2.14 2gk6B1 GLU 797 HG2 0.05 0.08 -0.03 -0.04 2.34 2.40 2gk6B1 GLU 797 HG3 0.06 -0.03 -0.15 -0.04 2.34 2.18 2gk6B1 GLY 798 H 0.14 0.07 -0.12 -0.55 8.43 7.97 2gk6B1 GLY 798 HA2 0.07 0.12 0.33 -0.51 4.01 4.02 2gk6B1 GLY 798 HA3 0.05 0.20 0.10 -0.51 4.01 3.85 2gk6B1 GLN 799 H 0.14 0.11 -0.22 -0.55 8.47 7.96 2gk6B1 GLN 799 HA 0.10 0.06 0.53 -0.75 4.36 4.29 2gk6B1 GLN 799 HB2 0.09 -0.11 0.10 -0.04 2.15 2.19 2gk6B1 GLN 799 HB3 0.14 0.11 0.03 -0.04 2.02 2.26 2gk6B1 GLN 799 HG2 0.09 0.05 -0.04 -0.04 2.40 2.46 2gk6B1 GLN 799 HG3 0.10 0.09 -0.12 -0.04 2.39 2.41 2gk6B1 GLN 799 HE21 -0.01 0.13 0.01 -0.04 6.97 7.05 2gk6B1 GLN 799 HE22 0.03 0.09 -0.13 -0.04 7.69 7.64 2gk6B1 ARG 800 H 0.12 0.28 -0.26 -0.55 8.46 8.05 2gk6B1 ARG 800 HA 0.09 0.06 0.32 -0.75 4.34 4.06 2gk6B1 ARG 800 HB2 0.09 -0.01 0.17 -0.04 1.90 2.11 2gk6B1 ARG 800 HB3 0.07 0.09 -0.11 -0.04 1.80 1.81 2gk6B1 ARG 800 HG2 0.10 0.03 -0.19 -0.04 1.67 1.57 2gk6B1 ARG 800 HG3 0.11 0.02 -0.11 -0.04 1.67 1.65 2gk6B1 ARG 800 HD2 0.08 -0.04 -0.03 -0.04 3.22 3.19 2gk6B1 ARG 800 HD3 0.08 -0.08 -0.07 -0.04 3.22 3.11 2gk6B1 SER 801 H 0.09 0.55 -0.13 -0.55 8.46 8.41 2gk6B1 SER 801 HA 0.03 0.09 0.33 -0.75 4.49 4.20 2gk6B1 SER 801 HB2 0.09 -0.00 0.03 -0.04 3.95 4.02 2gk6B1 SER 801 HB3 0.05 0.01 -0.01 -0.04 3.93 3.95 2gk6B1 TYR 802 H 0.19 0.38 -0.31 -0.55 8.29 7.99 2gk6B1 TYR 802 HA 0.02 0.04 0.35 -0.75 4.56 4.22 2gk6B1 TYR 802 HB2 0.02 0.07 0.09 -0.04 3.06 3.20 2gk6B1 TYR 802 HB3 0.00 0.02 0.07 -0.04 2.98 3.04 2gk6B1 TYR 802 HD2 -0.00 0.02 -0.12 -0.04 7.15 7.01 2gk6B1 TYR 802 HE2 -0.13 0.03 -0.04 -0.04 6.85 6.67 2gk6B1 LEU 803 H 0.10 0.46 -0.39 -0.55 8.37 7.99 2gk6B1 LEU 803 HA -0.00 -0.02 0.38 -0.75 4.35 3.95 2gk6B1 LEU 803 HB2 0.07 0.13 0.14 -0.04 1.64 1.94 2gk6B1 LEU 803 HB3 0.04 0.02 -0.09 -0.04 1.64 1.56 2gk6B1 LEU 803 HG 0.11 -0.06 -0.02 -0.04 1.64 1.63 2gk6B1 LEU 803 HD13 0.08 -0.03 -0.17 -0.04 0.93 0.77 2gk6B1 LEU 803 HD23 0.04 -0.02 -0.02 -0.04 0.89 0.86 2gk6B1 VAL 804 H -0.01 0.49 -0.07 -0.55 8.24 8.09 2gk6B1 VAL 804 HA -0.04 0.10 0.43 -0.75 4.13 3.87 2gk6B1 VAL 804 HB -0.04 0.03 0.10 -0.04 2.12 2.16 2gk6B1 VAL 804 HG13 -0.04 0.01 -0.08 -0.04 0.97 0.81 2gk6B1 VAL 804 HG23 0.02 0.04 0.02 -0.04 0.95 0.99 2gk6B1 GLN 805 H -0.19 0.38 -0.27 -0.55 8.47 7.84 2gk6B1 GLN 805 HA -0.51 0.11 0.39 -0.75 4.36 3.58 2gk6B1 GLN 805 HB2 -0.46 0.01 0.01 -0.04 2.15 1.67 2gk6B1 GLN 805 HB3 -1.09 -0.07 0.02 -0.04 2.02 0.84 2gk6B1 GLN 805 HG2 -0.16 -0.02 0.00 -0.04 2.40 2.18 2gk6B1 GLN 805 HG3 -0.08 0.08 -0.03 -0.04 2.39 2.31 2gk6B1 GLN 805 HE21 0.01 -0.04 -0.04 -0.04 6.97 6.87 2gk6B1 GLN 805 HE22 -0.02 0.02 -0.04 -0.04 7.69 7.61 2gk6B1 TYR 806 H -0.29 0.43 -0.27 -0.55 8.29 7.61 2gk6B1 TYR 806 HA -0.29 -0.04 0.41 -0.75 4.56 3.88 2gk6B1 TYR 806 HB2 -0.90 0.00 0.07 -0.04 3.06 2.19 2gk6B1 TYR 806 HB3 -0.36 0.06 0.08 -0.04 2.98 2.72 2gk6B1 TYR 806 HD2 -0.11 0.02 -0.13 -0.04 7.15 6.90 2gk6B1 TYR 806 HE2 0.01 -0.02 -0.01 -0.04 6.85 6.79 2gk6B1 MET 807 H -0.17 0.56 -0.30 -0.55 8.47 8.01 2gk6B1 MET 807 HA -0.43 -0.01 0.60 -0.75 4.52 3.93 2gk6B1 MET 807 HB2 -0.16 0.18 0.17 -0.04 2.15 2.31 2gk6B1 MET 807 HB3 -0.61 -0.10 0.11 -0.04 2.03 1.38 2gk6B1 MET 807 HG2 -0.40 -0.10 -0.01 -0.04 2.63 2.08 2gk6B1 MET 807 HG3 -0.08 0.02 -0.01 -0.04 2.56 2.45 2gk6B1 MET 807 HE3 -0.11 -0.03 -0.11 -0.04 2.10 1.82 2gk6B1 GLN 808 H -0.22 0.19 -0.50 -0.55 8.47 7.39 2gk6B1 GLN 808 HA 0.02 -0.03 0.43 -0.75 4.36 4.02 2gk6B1 GLN 808 HB2 -0.06 0.18 0.08 -0.04 2.15 2.31 2gk6B1 GLN 808 HB3 -0.26 0.13 -0.31 -0.04 2.02 1.53 2gk6B1 GLN 808 HG2 -0.08 -0.02 -0.09 -0.04 2.40 2.17 2gk6B1 GLN 808 HG3 0.03 -0.09 -0.14 -0.04 2.39 2.15 2gk6B1 GLN 808 HE21 0.00 0.02 0.01 -0.04 6.97 6.97 2gk6B1 GLN 808 HE22 0.04 -0.06 -0.02 -0.04 7.69 7.61 2gk6B1 PHE 809 H -0.23 0.68 0.11 -0.55 8.34 8.35 2gk6B1 PHE 809 HA -0.06 0.01 0.45 -0.75 4.62 4.27 2gk6B1 PHE 809 HB2 -0.17 -0.02 0.18 -0.04 3.15 3.09 2gk6B1 PHE 809 HB3 -0.07 -0.04 -0.01 -0.04 3.06 2.89 2gk6B1 PHE 809 HD2 -0.04 -0.04 -0.02 -0.04 7.28 7.14 2gk6B1 PHE 809 HE2 -0.01 -0.04 -0.04 -0.04 7.38 7.26 2gk6B1 PHE 809 HZ 0.00 -0.03 -0.03 -0.04 7.32 7.23 2gk6B1 SER 810 H -0.20 0.23 -0.19 -0.55 8.46 7.76 2gk6B1 SER 810 HA -0.06 0.19 0.65 -0.75 4.49 4.52 2gk6B1 SER 810 HB2 -0.07 -0.01 0.12 -0.04 3.95 3.95 2gk6B1 SER 810 HB3 -0.03 0.05 -0.14 -0.04 3.93 3.76 2gk6B1 GLY 811 H -0.10 0.20 -0.09 -0.55 8.43 7.89 2gk6B1 GLY 811 HA2 -0.23 0.13 0.77 -0.51 4.01 4.17 2gk6B1 GLY 811 HA3 -0.09 0.02 0.29 -0.51 4.01 3.72 2gk6B1 SER 812 H 0.05 0.09 0.12 -0.55 8.46 8.17 2gk6B1 SER 812 HA -0.01 0.17 0.60 -0.75 4.49 4.49 2gk6B1 SER 812 HB2 0.02 -0.01 0.05 -0.04 3.95 3.97 2gk6B1 SER 812 HB3 0.07 -0.02 0.03 -0.04 3.93 3.97 2gk6B1 LEU 813 H 0.22 0.02 -0.05 -0.55 8.37 8.02 2gk6B1 LEU 813 HA -0.24 0.22 0.76 -0.75 4.35 4.34 2gk6B1 LEU 813 HB2 -0.32 0.02 -0.01 -0.04 1.64 1.29 2gk6B1 LEU 813 HB3 -0.19 -0.09 0.16 -0.04 1.64 1.47 2gk6B1 LEU 813 HG 0.01 -0.12 -0.24 -0.04 1.64 1.26 2gk6B1 LEU 813 HD13 -0.10 0.02 -0.04 -0.04 0.93 0.76 2gk6B1 LEU 813 HD23 -0.07 0.09 -0.06 -0.04 0.89 0.81 2gk6B1 HIS 814 H -0.26 0.10 0.13 -0.55 8.41 7.83 2gk6B1 HIS 814 HA 0.01 0.20 0.40 -0.75 4.63 4.49 2gk6B1 HIS 814 HB2 -0.06 -0.06 0.10 -0.04 3.26 3.21 2gk6B1 HIS 814 HB3 -0.02 -0.02 0.13 -0.04 3.20 3.26 2gk6B1 HIS 814 HD2 -0.03 0.00 0.06 -0.04 6.97 6.95 2gk6B1 HIS 814 HE1 -0.00 0.04 -0.02 -0.04 7.75 7.72 2gk6B1 THR 815 H 0.12 0.19 0.17 -0.55 8.28 8.21 2gk6B1 THR 815 HA 0.15 0.17 0.20 -0.75 4.39 4.16 2gk6B1 THR 815 HB 0.06 -0.02 0.08 -0.04 4.32 4.40 2gk6B1 THR 815 HG23 0.06 0.07 0.17 -0.04 1.22 1.47 2gk6B1 LYS 816 H 0.02 0.01 -0.50 -0.55 8.42 7.41 2gk6B1 LYS 816 HA 0.01 0.18 0.64 -0.75 4.32 4.39 2gk6B1 LYS 816 HB2 -0.01 -0.04 0.03 -0.04 1.87 1.81 2gk6B1 LYS 816 HB3 -0.02 0.06 -0.02 -0.04 1.79 1.77 2gk6B1 LYS 816 HG2 0.01 -0.07 -0.06 -0.04 1.46 1.30 2gk6B1 LYS 816 HG3 -0.02 0.02 -0.01 -0.04 1.46 1.42 2gk6B1 LYS 816 HD2 -0.01 0.02 -0.00 -0.04 1.69 1.65 2gk6B1 LYS 816 HD3 0.01 0.03 0.02 -0.04 1.68 1.70 2gk6B1 LYS 816 HE2 0.02 -0.00 -0.05 -0.04 2.99 2.92 2gk6B1 LYS 816 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.91 2gk6B1 LEU 817 H -0.16 0.22 -0.03 -0.55 8.37 7.85 2gk6B1 LEU 817 HA -0.11 0.09 0.48 -0.75 4.35 4.06 2gk6B1 LEU 817 HB2 -0.65 0.06 0.08 -0.04 1.64 1.09 2gk6B1 LEU 817 HB3 -0.35 0.06 -0.03 -0.04 1.64 1.28 2gk6B1 LEU 817 HG -0.19 0.05 0.00 -0.04 1.64 1.46 2gk6B1 LEU 817 HD13 -0.07 0.01 -0.00 -0.04 0.93 0.82 2gk6B1 LEU 817 HD23 -0.12 -0.04 0.05 -0.04 0.89 0.73 2gk6B1 TYR 818 H -0.26 0.16 -0.25 -0.55 8.29 7.39 2gk6B1 TYR 818 HA 0.01 0.08 0.49 -0.75 4.56 4.39 2gk6B1 TYR 818 HB2 -0.01 0.18 0.02 -0.04 3.06 3.20 2gk6B1 TYR 818 HB3 -0.00 0.04 0.06 -0.04 2.98 3.04 2gk6B1 TYR 818 HD2 -0.02 0.09 -0.19 -0.04 7.15 7.00 2gk6B1 TYR 818 HE2 -0.04 0.03 -0.15 -0.04 6.85 6.65 2gk6B1 GLN 819 H 0.06 0.19 -0.32 -0.55 8.47 7.85 2gk6B1 GLN 819 HA 0.07 0.08 0.43 -0.75 4.36 4.19 2gk6B1 GLN 819 HB2 0.04 0.03 0.25 -0.04 2.15 2.43 2gk6B1 GLN 819 HB3 0.05 -0.07 -0.07 -0.04 2.02 1.88 2gk6B1 GLN 819 HG2 0.08 -0.01 -0.07 -0.04 2.40 2.36 2gk6B1 GLN 819 HG3 0.07 0.15 0.09 -0.04 2.39 2.66 2gk6B1 GLN 819 HE21 0.07 -0.06 -0.03 -0.04 6.97 6.90 2gk6B1 GLN 819 HE22 0.05 -0.00 -0.12 -0.04 7.69 7.57 2gk6B1 GLU 820 H 0.04 0.20 -0.49 -0.55 8.60 7.80 2gk6B1 GLU 820 HA 0.04 0.07 0.57 -0.75 4.29 4.22 2gk6B1 GLU 820 HB2 0.02 0.10 -0.01 -0.04 2.09 2.16 2gk6B1 GLU 820 HB3 0.03 -0.10 -0.00 -0.04 1.99 1.87 2gk6B1 GLU 820 HG2 0.01 -0.03 -0.02 -0.04 2.34 2.26 2gk6B1 GLU 820 HG3 0.01 0.14 0.01 -0.04 2.34 2.46 2gk6B1 VAL 821 H 0.09 0.14 -0.27 -0.55 8.24 7.65 2gk6B1 VAL 821 HA 0.09 0.24 0.64 -0.75 4.13 4.35 2gk6B1 VAL 821 HB 0.13 0.13 0.15 -0.04 2.12 2.49 2gk6B1 VAL 821 HG13 0.10 -0.02 -0.26 -0.04 0.97 0.75 2gk6B1 VAL 821 HG23 0.14 0.03 0.07 -0.04 0.95 1.14 2gk6B1 GLU 822 H 0.13 0.37 0.31 -0.55 8.60 8.87 2gk6B1 GLU 822 HA 0.08 0.09 0.54 -0.75 4.29 4.24 2gk6B1 GLU 822 HB2 0.09 0.11 0.15 -0.04 2.09 2.40 2gk6B1 GLU 822 HB3 0.22 -0.07 0.15 -0.04 1.99 2.25 2gk6B1 GLU 822 HG2 -0.09 -0.03 -0.18 -0.04 2.34 2.00 2gk6B1 GLU 822 HG3 -0.01 -0.00 0.02 -0.04 2.34 2.31 2gk6B1 ILE 823 H 0.09 0.23 0.23 -0.55 8.25 8.25 2gk6B1 ILE 823 HA 0.20 0.29 0.97 -0.75 4.18 4.89 2gk6B1 ILE 823 HB 0.08 -0.01 0.11 -0.04 1.89 2.03 2gk6B1 ILE 823 HG12 0.09 -0.04 -0.20 -0.04 1.49 1.30 2gk6B1 ILE 823 HG13 0.09 0.12 -0.38 -0.04 1.21 1.00 2gk6B1 ILE 823 HG23 0.10 -0.03 -0.07 -0.04 0.93 0.89 2gk6B1 ILE 823 HD13 0.05 -0.01 -0.13 -0.04 0.88 0.74 2gk6B1 ALA 824 H 0.29 0.62 0.37 -0.55 8.40 9.14 2gk6B1 ALA 824 HA 0.12 0.01 0.48 -0.75 4.34 4.20 2gk6B1 ALA 824 HB3 0.03 0.03 -0.05 -0.04 1.41 1.38 2gk6B1 SER 825 H 0.12 0.09 0.15 -0.55 8.46 8.28 2gk6B1 SER 825 HA 0.19 0.30 0.79 -0.75 4.49 5.02 2gk6B1 SER 825 HB2 0.09 -0.14 0.19 -0.04 3.95 4.05 2gk6B1 SER 825 HB3 0.07 0.14 0.12 -0.04 3.93 4.23 2gk6B1 VAL 826 H 0.21 0.10 0.07 -0.55 8.24 8.08 2gk6B1 VAL 826 HA 0.22 0.18 0.23 -0.75 4.13 4.02 2gk6B1 VAL 826 HB 0.11 0.07 -0.07 -0.04 2.12 2.19 2gk6B1 VAL 826 HG13 0.21 0.05 -0.00 -0.04 0.97 1.18 2gk6B1 VAL 826 HG23 0.13 -0.02 -0.02 -0.04 0.95 1.00 2gk6B1 ASP 827 H 0.11 0.02 -0.26 -0.55 8.40 7.71 2gk6B1 ASP 827 HA 0.06 0.06 0.30 -0.75 4.63 4.30 2gk6B1 ASP 827 HB2 0.05 -0.05 0.05 -0.04 2.71 2.72 2gk6B1 ASP 827 HB3 0.03 0.09 -0.03 -0.04 2.70 2.75 2gk6B1 ALA 828 H 0.07 0.10 -0.27 -0.55 8.40 7.76 2gk6B1 ALA 828 HA -0.04 0.06 0.32 -0.75 4.34 3.93 2gk6B1 ALA 828 HB3 -0.10 0.02 0.04 -0.04 1.41 1.33 2gk6B1 PHE 829 H 0.20 0.26 -0.64 -0.55 8.34 7.61 2gk6B1 PHE 829 HA 0.02 0.17 0.62 -0.75 4.62 4.68 2gk6B1 PHE 829 HB2 0.03 -0.01 -0.04 -0.04 3.15 3.09 2gk6B1 PHE 829 HB3 0.01 -0.01 -0.05 -0.04 3.06 2.97 2gk6B1 PHE 829 HD2 0.03 0.06 -0.25 -0.04 7.28 7.08 2gk6B1 PHE 829 HE2 0.04 0.03 -0.19 -0.04 7.38 7.23 2gk6B1 PHE 829 HZ 0.04 0.14 -0.15 -0.04 7.32 7.32 2gk6B1 GLN 830 H 0.08 0.35 -0.16 -0.55 8.47 8.19 2gk6B1 GLN 830 HA 0.06 -0.02 0.44 -0.75 4.36 4.09 2gk6B1 GLN 830 HB2 0.03 0.21 0.17 -0.04 2.15 2.52 2gk6B1 GLN 830 HB3 0.02 -0.05 -0.05 -0.04 2.02 1.89 2gk6B1 GLN 830 HG2 0.04 0.01 0.02 -0.04 2.40 2.43 2gk6B1 GLN 830 HG3 0.02 -0.01 0.04 -0.04 2.39 2.39 2gk6B1 GLN 830 HE21 -0.00 -0.01 0.07 -0.04 6.97 6.99 2gk6B1 GLN 830 HE22 0.02 -0.09 0.24 -0.04 7.69 7.81 2gk6B1 GLY 831 H 0.03 0.10 0.20 -0.55 8.43 8.21 2gk6B1 GLY 831 HA2 0.01 -0.07 0.33 -0.51 4.01 3.77 2gk6B1 GLY 831 HA3 0.01 -0.01 0.37 -0.51 4.01 3.87 2gk6B1 ARG 832 H 0.06 0.29 -0.06 -0.55 8.46 8.20 2gk6B1 ARG 832 HA 0.04 0.08 0.78 -0.75 4.34 4.49 2gk6B1 ARG 832 HB2 0.14 0.14 -0.14 -0.04 1.90 1.99 2gk6B1 ARG 832 HB3 0.08 -0.03 0.05 -0.04 1.80 1.86 2gk6B1 ARG 832 HG2 0.01 -0.02 -0.17 -0.04 1.67 1.46 2gk6B1 ARG 832 HG3 0.02 0.14 -0.68 -0.04 1.67 1.11 2gk6B1 ARG 832 HD2 -0.04 -0.11 -0.06 -0.04 3.22 2.97 2gk6B1 ARG 832 HD3 -0.08 0.17 -0.04 -0.04 3.22 3.24 2gk6B1 GLU 833 H 0.08 0.25 0.20 -0.55 8.60 8.58 2gk6B1 GLU 833 HA 0.06 0.25 0.83 -0.75 4.29 4.68 2gk6B1 GLU 833 HB2 0.01 0.18 0.05 -0.04 2.09 2.29 2gk6B1 GLU 833 HB3 0.02 -0.05 -0.25 -0.04 1.99 1.67 2gk6B1 GLU 833 HG2 0.03 -0.10 -0.01 -0.04 2.34 2.23 2gk6B1 GLU 833 HG3 0.03 0.01 -0.25 -0.04 2.34 2.09 2gk6B1 LYS 834 H 0.02 0.60 0.22 -0.55 8.42 8.71 2gk6B1 LYS 834 HA 0.05 0.13 0.51 -0.75 4.32 4.26 2gk6B1 LYS 834 HB2 0.05 0.00 -0.18 -0.04 1.87 1.70 2gk6B1 LYS 834 HB3 0.08 -0.04 -0.14 -0.04 1.79 1.65 2gk6B1 LYS 834 HG2 0.21 -0.07 -0.63 -0.04 1.46 0.93 2gk6B1 LYS 834 HG3 0.22 -0.03 -0.25 -0.04 1.46 1.36 2gk6B1 LYS 834 HD2 0.12 0.06 -0.09 -0.04 1.69 1.75 2gk6B1 LYS 834 HD3 0.10 0.06 0.26 -0.04 1.68 2.05 2gk6B1 LYS 834 HE2 0.09 -0.02 0.07 -0.04 2.99 3.09 2gk6B1 LYS 834 HE3 0.24 -0.08 -0.09 -0.04 2.99 3.02 2gk6B1 ASP 835 H 0.00 0.20 0.25 -0.55 8.40 8.30 2gk6B1 ASP 835 HA -0.06 -0.01 0.70 -0.75 4.63 4.50 2gk6B1 ASP 835 HB2 -0.09 0.20 0.28 -0.04 2.71 3.05 2gk6B1 ASP 835 HB3 -0.77 -0.03 0.11 -0.04 2.70 1.97 2gk6B1 PHE 836 H 0.09 0.48 0.13 -0.55 8.34 8.48 2gk6B1 PHE 836 HA 0.09 0.31 1.05 -0.75 4.62 5.31 2gk6B1 PHE 836 HB2 0.01 0.02 0.11 -0.04 3.15 3.26 2gk6B1 PHE 836 HB3 0.04 0.02 -0.03 -0.04 3.06 3.05 2gk6B1 PHE 836 HD2 0.12 0.08 -0.05 -0.04 7.28 7.39 2gk6B1 PHE 836 HE2 0.09 0.01 -0.09 -0.04 7.38 7.35 2gk6B1 PHE 836 HZ -0.45 -0.02 -0.04 -0.04 7.32 6.77 2gk6B1 ILE 837 H 0.18 0.56 0.36 -0.55 8.25 8.80 2gk6B1 ILE 837 HA -0.01 0.34 1.04 -0.75 4.18 4.79 2gk6B1 ILE 837 HB -0.01 -0.03 0.11 -0.04 1.89 1.92 2gk6B1 ILE 837 HG12 -0.03 -0.05 -0.64 -0.04 1.49 0.73 2gk6B1 ILE 837 HG13 -0.10 -0.10 -0.30 -0.04 1.21 0.67 2gk6B1 ILE 837 HG23 -0.14 -0.00 -0.17 -0.04 0.93 0.57 2gk6B1 ILE 837 HD13 -0.26 0.03 -0.11 -0.04 0.88 0.49 2gk6B1 ILE 838 H -0.02 0.63 0.36 -0.55 8.25 8.67 2gk6B1 ILE 838 HA -0.03 0.36 1.12 -0.75 4.18 4.88 2gk6B1 ILE 838 HB 0.00 -0.08 0.17 -0.04 1.89 1.94 2gk6B1 ILE 838 HG12 -0.02 0.06 -0.16 -0.04 1.49 1.33 2gk6B1 ILE 838 HG13 0.02 -0.01 -0.20 -0.04 1.21 0.98 2gk6B1 ILE 838 HG23 -0.03 0.01 -0.09 -0.04 0.93 0.78 2gk6B1 ILE 838 HD13 -0.01 -0.00 -0.14 -0.04 0.88 0.69 2gk6B1 LEU 839 H -0.05 0.41 0.24 -0.55 8.37 8.43 2gk6B1 LEU 839 HA -0.03 0.23 0.92 -0.75 4.35 4.71 2gk6B1 LEU 839 HB2 -0.03 0.02 0.14 -0.04 1.64 1.73 2gk6B1 LEU 839 HB3 0.06 -0.12 -0.01 -0.04 1.64 1.53 2gk6B1 LEU 839 HG -0.82 -0.04 -0.01 -0.04 1.64 0.74 2gk6B1 LEU 839 HD13 -0.25 0.02 -0.09 -0.04 0.93 0.57 2gk6B1 LEU 839 HD23 -0.13 -0.01 -0.09 -0.04 0.89 0.62 2gk6B1 SER 840 H 0.21 0.77 0.36 -0.55 8.46 9.26 2gk6B1 SER 840 HA 0.05 0.26 0.91 -0.75 4.49 4.96 2gk6B1 SER 840 HB2 0.06 0.09 -0.09 -0.04 3.95 3.97 2gk6B1 SER 840 HB3 0.12 -0.04 0.14 -0.04 3.93 4.11 2gk6B1 CYS 841 H 0.06 0.59 0.10 -0.55 8.50 8.70 2gk6B1 CYS 841 HA -0.07 0.06 0.76 -0.75 4.58 4.58 2gk6B1 CYS 841 HB2 -0.27 -0.10 0.15 -0.04 2.97 2.72 2gk6B1 CYS 841 HB3 -0.01 0.03 0.03 -0.04 2.97 2.98 2gk6B1 VAL 842 H 0.07 0.21 0.09 -0.55 8.24 8.06 2gk6B1 VAL 842 HA -0.04 0.06 0.03 -0.75 4.13 3.42 2gk6B1 VAL 842 HB -0.08 -0.12 0.02 -0.04 2.12 1.90 2gk6B1 VAL 842 HG13 0.09 0.02 0.02 -0.04 0.97 1.06 2gk6B1 VAL 842 HG23 -0.31 0.01 -0.33 -0.04 0.95 0.28 2gk6B1 ARG 843 H -0.01 0.08 -0.37 -0.55 8.46 7.61 2gk6B1 ARG 843 HA -0.15 0.11 -0.11 -0.75 4.34 3.43 2gk6B1 ARG 843 HB2 -0.16 0.11 0.27 -0.04 1.90 2.07 2gk6B1 ARG 843 HB3 -0.22 -0.00 0.10 -0.04 1.80 1.64 2gk6B1 ARG 843 HG2 -0.15 0.02 -0.07 -0.04 1.67 1.43 2gk6B1 ARG 843 HG3 -0.12 -0.04 -0.01 -0.04 1.67 1.45 2gk6B1 ARG 843 HD2 -0.10 0.08 -0.02 -0.04 3.22 3.13 2gk6B1 ARG 843 HD3 -0.14 -0.00 0.00 -0.04 3.22 3.04 2gk6B1 ILE 850 HA -0.05 -0.02 0.22 -0.75 4.18 3.57 2gk6B1 ILE 850 HB -0.10 -0.08 0.13 -0.04 1.89 1.80 2gk6B1 ILE 850 HG12 -0.03 0.01 0.07 -0.04 1.49 1.51 2gk6B1 ILE 850 HG13 -0.53 -0.07 -0.14 -0.04 1.21 0.42 2gk6B1 ILE 850 HG23 0.01 0.02 0.08 -0.04 0.93 0.99 2gk6B1 ILE 850 HD13 -0.12 0.00 0.02 -0.04 0.88 0.74 2gk6B1 GLY 851 H -0.08 0.13 0.14 -0.55 8.43 8.07 2gk6B1 GLY 851 HA2 -0.05 0.04 0.37 -0.51 4.01 3.86 2gk6B1 GLY 851 HA3 -0.25 0.05 0.48 -0.51 4.01 3.78 2gk6B1 PHE 852 H -0.30 0.16 0.13 -0.55 8.34 7.77 2gk6B1 PHE 852 HA 0.09 0.05 0.23 -0.75 4.62 4.23 2gk6B1 PHE 852 HB2 0.13 0.10 -0.11 -0.04 3.15 3.23 2gk6B1 PHE 852 HB3 0.08 -0.03 -0.05 -0.04 3.06 3.02 2gk6B1 PHE 852 HD2 0.33 -0.03 -0.17 -0.04 7.28 7.37 2gk6B1 PHE 852 HE2 0.17 -0.00 -0.23 -0.04 7.38 7.28 2gk6B1 PHE 852 HZ 0.07 -0.04 -0.35 -0.04 7.32 6.96 2gk6B1 LEU 853 H -0.02 0.20 -0.64 -0.55 8.37 7.37 2gk6B1 LEU 853 HA 0.78 0.22 0.82 -0.75 4.35 5.41 2gk6B1 LEU 853 HB2 0.02 0.02 0.14 -0.04 1.64 1.78 2gk6B1 LEU 853 HB3 0.01 -0.04 -0.03 -0.04 1.64 1.54 2gk6B1 LEU 853 HG -0.26 -0.02 -0.08 -0.04 1.64 1.24 2gk6B1 LEU 853 HD13 -0.06 0.02 0.30 -0.04 0.93 1.15 2gk6B1 LEU 853 HD23 -0.26 0.01 -0.01 -0.04 0.89 0.60 2gk6B1 ASN 854 H 0.10 0.14 -0.14 -0.55 8.53 8.08 2gk6B1 ASN 854 HA 0.10 0.22 0.89 -0.75 4.76 5.22 2gk6B1 ASN 854 HB2 0.02 -0.05 -0.02 -0.04 2.88 2.78 2gk6B1 ASN 854 HB3 0.04 -0.01 -0.04 -0.04 2.79 2.73 2gk6B1 ASN 854 HD21 0.02 0.01 0.01 -0.04 7.03 7.03 2gk6B1 ASN 854 HD22 0.03 -0.04 -0.01 -0.04 7.74 7.68 2gk6B1 ASP 855 H 0.08 0.18 0.12 -0.55 8.40 8.23 2gk6B1 ASP 855 HA 0.06 0.24 0.59 -0.75 4.63 4.77 2gk6B1 ASP 855 HB2 0.04 0.06 0.12 -0.04 2.71 2.90 2gk6B1 ASP 855 HB3 0.06 -0.18 0.12 -0.04 2.70 2.66 2gk6B1 PRO 856 HA 0.20 0.09 0.49 -0.51 4.44 4.70 2gk6B1 PRO 856 HB2 0.12 0.07 0.03 -0.04 2.28 2.45 2gk6B1 PRO 856 HB3 0.24 0.08 0.07 -0.04 2.02 2.37 2gk6B1 PRO 856 HG2 0.07 0.09 0.10 -0.04 2.03 2.24 2gk6B1 PRO 856 HG3 0.09 0.06 0.08 -0.04 2.03 2.22 2gk6B1 PRO 856 HD2 0.06 0.06 0.25 -0.04 3.68 4.01 2gk6B1 PRO 856 HD3 0.07 0.37 0.31 -0.04 3.65 4.36 2gk6B1 ARG 857 H 0.01 0.14 -0.17 -0.55 8.46 7.88 2gk6B1 ARG 857 HA -0.26 0.29 0.43 -0.75 4.34 4.05 2gk6B1 ARG 857 HB2 -0.02 -0.11 -0.14 -0.04 1.90 1.59 2gk6B1 ARG 857 HB3 -0.07 -0.03 -0.43 -0.04 1.80 1.22 2gk6B1 ARG 857 HG2 -0.09 0.14 -0.11 -0.04 1.67 1.57 2gk6B1 ARG 857 HG3 -0.02 -0.11 -0.02 -0.04 1.67 1.48 2gk6B1 ARG 857 HD2 -0.02 0.30 -0.25 -0.04 3.22 3.21 2gk6B1 ARG 857 HD3 -0.01 0.19 0.05 -0.04 3.22 3.41 2gk6B1 ARG 858 H 0.02 0.08 -0.36 -0.55 8.46 7.64 2gk6B1 ARG 858 HA 0.02 0.07 0.52 -0.75 4.34 4.19 2gk6B1 ARG 858 HB2 0.11 0.16 0.02 -0.04 1.90 2.14 2gk6B1 ARG 858 HB3 0.17 -0.12 -0.20 -0.04 1.80 1.61 2gk6B1 ARG 858 HG2 0.06 -0.02 -0.06 -0.04 1.67 1.61 2gk6B1 ARG 858 HG3 0.04 -0.01 -0.06 -0.04 1.67 1.60 2gk6B1 ARG 858 HD2 0.05 0.09 0.04 -0.04 3.22 3.36 2gk6B1 ARG 858 HD3 0.05 -0.22 -0.16 -0.04 3.22 2.86 2gk6B1 LEU 859 H 0.06 0.40 -0.24 -0.55 8.37 8.04 2gk6B1 LEU 859 HA 0.08 0.02 0.54 -0.75 4.35 4.24 2gk6B1 LEU 859 HB2 0.13 0.15 0.07 -0.04 1.64 1.94 2gk6B1 LEU 859 HB3 0.15 0.12 0.09 -0.04 1.64 1.95 2gk6B1 LEU 859 HG 0.06 0.01 -0.23 -0.04 1.64 1.44 2gk6B1 LEU 859 HD13 -0.37 -0.01 0.00 -0.04 0.93 0.51 2gk6B1 LEU 859 HD23 -0.33 -0.00 -0.12 -0.04 0.89 0.39 2gk6B1 ASN 860 H -0.43 0.43 -0.18 -0.55 8.53 7.81 2gk6B1 ASN 860 HA -0.42 0.03 0.31 -0.75 4.76 3.94 2gk6B1 ASN 860 HB2 -2.26 0.04 0.11 -0.04 2.88 0.72 2gk6B1 ASN 860 HB3 -0.59 0.13 0.18 -0.04 2.79 2.47 2gk6B1 ASN 860 HD21 0.16 -0.08 -0.15 -0.04 7.03 6.91 2gk6B1 ASN 860 HD22 -0.25 0.27 -0.13 -0.04 7.74 7.59 2gk6B1 VAL 861 H -0.16 0.39 -0.23 -0.55 8.24 7.69 2gk6B1 VAL 861 HA -0.06 0.05 0.33 -0.75 4.13 3.70 2gk6B1 VAL 861 HB -0.02 0.03 0.11 -0.04 2.12 2.20 2gk6B1 VAL 861 HG13 0.02 -0.00 -0.18 -0.04 0.97 0.77 2gk6B1 VAL 861 HG23 -0.05 0.02 0.10 -0.04 0.95 0.98 2gk6B1 ALA 862 H -0.07 0.44 -0.28 -0.55 8.40 7.94 2gk6B1 ALA 862 HA -0.14 0.02 0.36 -0.75 4.34 3.82 2gk6B1 ALA 862 HB3 -0.30 -0.01 0.08 -0.04 1.41 1.14 2gk6B1 LEU 863 H -0.08 0.44 -0.43 -0.55 8.37 7.75 2gk6B1 LEU 863 HA -0.05 0.06 0.64 -0.75 4.35 4.24 2gk6B1 LEU 863 HB2 0.07 0.09 0.04 -0.04 1.64 1.80 2gk6B1 LEU 863 HB3 0.07 -0.02 0.14 -0.04 1.64 1.79 2gk6B1 LEU 863 HG -0.10 0.13 -0.03 -0.04 1.64 1.60 2gk6B1 LEU 863 HD13 0.02 -0.03 -0.11 -0.04 0.93 0.76 2gk6B1 LEU 863 HD23 -0.14 -0.02 -0.09 -0.04 0.89 0.60 2gk6B1 THR 864 H -0.04 0.32 -0.40 -0.55 8.28 7.61 2gk6B1 THR 864 HA -0.00 0.21 0.81 -0.75 4.39 4.65 2gk6B1 THR 864 HB -0.01 -0.09 0.14 -0.04 4.32 4.32 2gk6B1 THR 864 HG23 0.05 -0.00 -0.19 -0.04 1.22 1.04 2gk6B1 ARG 865 H -0.05 0.13 -0.14 -0.55 8.46 7.85 2gk6B1 ARG 865 HA -0.01 0.21 0.72 -0.75 4.34 4.50 2gk6B1 ARG 865 HB2 -0.13 -0.02 -0.03 -0.04 1.90 1.68 2gk6B1 ARG 865 HB3 -0.07 -0.05 -0.02 -0.04 1.80 1.62 2gk6B1 ARG 865 HG2 -0.08 0.17 0.05 -0.04 1.67 1.77 2gk6B1 ARG 865 HG3 -0.16 -0.10 -0.08 -0.04 1.67 1.28 2gk6B1 ARG 865 HD2 0.09 -0.07 -0.15 -0.04 3.22 3.04 2gk6B1 ARG 865 HD3 0.06 0.27 0.06 -0.04 3.22 3.58 2gk6B1 ALA 866 H -0.03 0.04 -0.27 -0.55 8.40 7.59 2gk6B1 ALA 866 HA -0.03 0.22 0.32 -0.75 4.34 4.09 2gk6B1 ALA 866 HB3 -0.02 -0.02 -0.16 -0.04 1.41 1.17 2gk6B1 ARG 867 H -0.07 0.24 0.30 -0.55 8.46 8.37 2gk6B1 ARG 867 HA -0.12 0.24 0.76 -0.75 4.34 4.47 2gk6B1 ARG 867 HB2 -0.00 -0.03 0.19 -0.04 1.90 2.02 2gk6B1 ARG 867 HB3 -0.17 -0.03 0.05 -0.04 1.80 1.62 2gk6B1 ARG 867 HG2 -0.10 0.43 0.15 -0.04 1.67 2.10 2gk6B1 ARG 867 HG3 -0.03 -0.06 -0.11 -0.04 1.67 1.42 2gk6B1 ARG 867 HD2 0.05 -0.01 -0.01 -0.04 3.22 3.21 2gk6B1 ARG 867 HD3 0.00 -0.04 -0.03 -0.04 3.22 3.12 2gk6B1 TYR 868 H -0.13 0.43 0.44 -0.55 8.29 8.49 2gk6B1 TYR 868 HA -0.08 0.20 0.88 -0.75 4.56 4.80 2gk6B1 TYR 868 HB2 -1.00 0.09 0.21 -0.04 3.06 2.31 2gk6B1 TYR 868 HB3 -0.18 -0.03 0.08 -0.04 2.98 2.81 2gk6B1 TYR 868 HD2 -0.14 -0.03 -0.08 -0.04 7.15 6.86 2gk6B1 TYR 868 HE2 -0.06 -0.00 -0.21 -0.04 6.85 6.54 2gk6B1 GLY 869 H -0.06 0.23 0.29 -0.55 8.43 8.34 2gk6B1 GLY 869 HA2 -0.09 0.18 0.59 -0.51 4.01 4.18 2gk6B1 GLY 869 HA3 0.25 0.05 0.46 -0.51 4.01 4.26 2gk6B1 VAL 870 H 0.04 0.47 0.39 -0.55 8.24 8.58 2gk6B1 VAL 870 HA 0.11 0.21 1.11 -0.75 4.13 4.80 2gk6B1 VAL 870 HB 0.03 -0.01 0.03 -0.04 2.12 2.14 2gk6B1 VAL 870 HG13 0.09 -0.01 0.05 -0.04 0.97 1.07 2gk6B1 VAL 870 HG23 0.04 -0.02 -0.12 -0.04 0.95 0.81 2gk6B1 ILE 871 H 0.03 0.60 0.39 -0.55 8.25 8.72 2gk6B1 ILE 871 HA -0.15 0.12 0.96 -0.75 4.18 4.36 2gk6B1 ILE 871 HB -0.45 0.07 0.03 -0.04 1.89 1.50 2gk6B1 ILE 871 HG12 -0.18 -0.11 -0.12 -0.04 1.49 1.04 2gk6B1 ILE 871 HG13 -0.41 0.12 -0.14 -0.04 1.21 0.74 2gk6B1 ILE 871 HG23 0.01 -0.02 -0.06 -0.04 0.93 0.81 2gk6B1 ILE 871 HD13 -0.51 -0.01 -0.07 -0.04 0.88 0.26 2gk6B1 ILE 872 H -0.05 0.44 0.28 -0.55 8.25 8.37 2gk6B1 ILE 872 HA -0.08 0.09 0.93 -0.75 4.18 4.37 2gk6B1 ILE 872 HB 0.03 -0.03 0.07 -0.04 1.89 1.91 2gk6B1 ILE 872 HG12 0.07 0.01 -0.09 -0.04 1.49 1.44 2gk6B1 ILE 872 HG13 0.09 -0.04 -0.16 -0.04 1.21 1.06 2gk6B1 ILE 872 HG23 0.20 -0.02 -0.13 -0.04 0.93 0.94 2gk6B1 ILE 872 HD13 0.02 0.01 -0.09 -0.04 0.88 0.78 2gk6B1 VAL 873 H -0.17 0.43 0.27 -0.55 8.24 8.23 2gk6B1 VAL 873 HA -0.33 0.30 1.06 -0.75 4.13 4.41 2gk6B1 VAL 873 HB -0.05 -0.03 0.24 -0.04 2.12 2.24 2gk6B1 VAL 873 HG13 0.06 -0.02 -0.06 -0.04 0.97 0.91 2gk6B1 VAL 873 HG23 -0.05 0.03 -0.20 -0.04 0.95 0.69 2gk6B1 GLY 874 H -0.36 0.55 0.32 -0.55 8.43 8.39 2gk6B1 GLY 874 HA2 -0.05 0.07 0.46 -0.51 4.01 3.98 2gk6B1 GLY 874 HA3 0.00 0.02 0.31 -0.51 4.01 3.83 2gk6B1 ASN 875 H 0.02 0.20 0.11 -0.55 8.53 8.31 2gk6B1 ASN 875 HA 0.07 0.26 0.84 -0.75 4.76 5.17 2gk6B1 ASN 875 HB2 -0.02 0.15 0.12 -0.04 2.88 3.09 2gk6B1 ASN 875 HB3 -0.04 -0.06 0.23 -0.04 2.79 2.87 2gk6B1 ASN 875 HD21 -0.02 0.01 0.05 -0.04 7.03 7.03 2gk6B1 ASN 875 HD22 -0.02 -0.01 0.19 -0.04 7.74 7.85 2gk6B1 PRO 876 HA -0.18 0.07 0.26 -0.51 4.44 4.08 2gk6B1 PRO 876 HB2 -0.06 0.02 -0.03 -0.04 2.28 2.17 2gk6B1 PRO 876 HB3 -0.18 0.09 0.01 -0.04 2.02 1.90 2gk6B1 PRO 876 HG2 0.01 0.06 0.02 -0.04 2.03 2.08 2gk6B1 PRO 876 HG3 -0.08 0.11 -0.03 -0.04 2.03 1.99 2gk6B1 PRO 876 HD2 0.03 0.06 0.15 -0.04 3.68 3.89 2gk6B1 PRO 876 HD3 0.21 0.35 0.21 -0.04 3.65 4.38 2gk6B1 LYS 877 H -0.03 0.11 -0.22 -0.55 8.42 7.73 2gk6B1 LYS 877 HA -0.02 0.12 0.33 -0.75 4.32 3.99 2gk6B1 LYS 877 HB2 -0.03 -0.01 -0.00 -0.04 1.87 1.79 2gk6B1 LYS 877 HB3 -0.02 0.07 0.03 -0.04 1.79 1.83 2gk6B1 LYS 877 HG2 -0.02 -0.06 0.04 -0.04 1.46 1.37 2gk6B1 LYS 877 HG3 -0.02 0.05 0.01 -0.04 1.46 1.46 2gk6B1 LYS 877 HD2 -0.02 -0.02 -0.06 -0.04 1.69 1.56 2gk6B1 LYS 877 HD3 -0.01 -0.01 -0.01 -0.04 1.68 1.61 2gk6B1 LYS 877 HE2 -0.01 0.02 0.00 -0.04 2.99 2.96 2gk6B1 LYS 877 HE3 -0.01 0.02 -0.01 -0.04 2.99 2.95 2gk6B1 ALA 878 H -0.05 0.12 -0.22 -0.55 8.40 7.70 2gk6B1 ALA 878 HA -0.05 0.13 0.48 -0.75 4.34 4.15 2gk6B1 ALA 878 HB3 -0.08 0.01 0.09 -0.04 1.41 1.40 2gk6B1 LEU 879 H -0.11 0.42 -0.02 -0.55 8.37 8.11 2gk6B1 LEU 879 HA -0.19 0.02 0.44 -0.75 4.35 3.86 2gk6B1 LEU 879 HB2 -0.18 0.08 -0.03 -0.04 1.64 1.48 2gk6B1 LEU 879 HB3 -0.37 -0.02 -0.03 -0.04 1.64 1.19 2gk6B1 LEU 879 HG -0.24 0.00 0.04 -0.04 1.64 1.40 2gk6B1 LEU 879 HD13 -0.33 0.00 -0.18 -0.04 0.93 0.38 2gk6B1 LEU 879 HD23 -0.89 -0.00 0.00 -0.04 0.89 -0.04 2gk6B1 SER 880 H -0.03 0.31 -0.49 -0.55 8.46 7.70 2gk6B1 SER 880 HA 0.07 -0.04 0.20 -0.75 4.49 3.96 2gk6B1 SER 880 HB2 -0.00 0.17 0.04 -0.04 3.95 4.12 2gk6B1 SER 880 HB3 0.02 -0.03 -0.03 -0.04 3.93 3.86 2gk6B1 LYS 881 H 0.00 0.24 -0.44 -0.55 8.42 7.67 2gk6B1 LYS 881 HA 0.02 0.02 0.41 -0.75 4.32 4.02 2gk6B1 LYS 881 HB2 -0.00 0.01 0.12 -0.04 1.87 1.95 2gk6B1 LYS 881 HB3 0.00 0.01 0.09 -0.04 1.79 1.85 2gk6B1 LYS 881 HG2 0.02 0.00 -0.08 -0.04 1.46 1.36 2gk6B1 LYS 881 HG3 0.01 -0.03 0.04 -0.04 1.46 1.43 2gk6B1 LYS 881 HD2 -0.01 -0.02 0.01 -0.04 1.69 1.63 2gk6B1 LYS 881 HD3 0.00 0.00 -0.05 -0.04 1.68 1.60 2gk6B1 LYS 881 HE2 0.00 -0.02 -0.01 -0.04 2.99 2.92 2gk6B1 LYS 881 HE3 0.01 0.00 -0.03 -0.04 2.99 2.94 2gk6B1 GLN 882 H 0.07 0.22 -0.10 -0.55 8.47 8.12 2gk6B1 GLN 882 HA 0.10 0.11 0.61 -0.75 4.36 4.42 2gk6B1 GLN 882 HB2 0.37 -0.17 0.16 -0.04 2.15 2.47 2gk6B1 GLN 882 HB3 0.23 0.02 0.13 -0.04 2.02 2.37 2gk6B1 GLN 882 HG2 0.06 -0.02 0.17 -0.04 2.40 2.57 2gk6B1 GLN 882 HG3 0.18 0.11 0.18 -0.04 2.39 2.82 2gk6B1 GLN 882 HE21 0.01 -0.01 -0.01 -0.04 6.97 6.92 2gk6B1 GLN 882 HE22 -0.01 -0.04 0.02 -0.04 7.69 7.62 2gk6B1 PRO 883 HA 0.07 0.14 0.40 -0.51 4.44 4.54 2gk6B1 PRO 883 HB2 0.03 -0.01 0.04 -0.04 2.28 2.30 2gk6B1 PRO 883 HB3 0.01 0.05 0.10 -0.04 2.02 2.14 2gk6B1 PRO 883 HG2 0.03 0.03 0.13 -0.04 2.03 2.18 2gk6B1 PRO 883 HG3 0.03 0.10 0.15 -0.04 2.03 2.27 2gk6B1 PRO 883 HD2 0.08 0.04 0.26 -0.04 3.68 4.02 2gk6B1 PRO 883 HD3 0.06 0.30 0.39 -0.04 3.65 4.36 2gk6B1 LEU 884 H 0.11 0.17 -0.15 -0.55 8.37 7.95 2gk6B1 LEU 884 HA 0.08 0.10 0.36 -0.75 4.35 4.14 2gk6B1 LEU 884 HB2 0.08 0.00 -0.03 -0.04 1.64 1.65 2gk6B1 LEU 884 HB3 0.00 0.02 -0.08 -0.04 1.64 1.55 2gk6B1 LEU 884 HG 0.00 0.04 0.00 -0.04 1.64 1.64 2gk6B1 LEU 884 HD13 0.07 0.00 0.00 -0.04 0.93 0.97 2gk6B1 LEU 884 HD23 0.12 0.01 -0.04 -0.04 0.89 0.93 2gk6B1 TRP 885 H 0.30 0.21 -0.34 -0.55 7.97 7.60 2gk6B1 TRP 885 HA 0.03 0.05 0.52 -0.75 4.62 4.46 2gk6B1 TRP 885 HB2 0.04 0.22 0.11 -0.04 3.23 3.56 2gk6B1 TRP 885 HB3 -0.00 -0.06 -0.17 -0.04 3.23 2.95 2gk6B1 TRP 885 HD1 0.09 0.09 0.04 -0.04 7.22 7.39 2gk6B1 TRP 885 HE1 0.22 0.11 0.08 -0.04 10.20 10.56 2gk6B1 TRP 885 HE3 -0.08 -0.03 -0.06 -0.04 7.59 7.38 2gk6B1 TRP 885 HZ2 0.47 -0.00 -0.10 -0.04 7.44 7.77 2gk6B1 TRP 885 HZ3 0.14 -0.00 -0.11 -0.04 7.13 7.11 2gk6B1 TRP 885 HH2 0.11 -0.02 -0.09 -0.04 7.19 7.15 2gk6B1 ASN 886 H 0.21 0.60 -0.09 -0.55 8.53 8.71 2gk6B1 ASN 886 HA 0.10 -0.04 0.42 -0.75 4.76 4.49 2gk6B1 ASN 886 HB2 0.10 0.35 0.15 -0.04 2.88 3.44 2gk6B1 ASN 886 HB3 0.10 0.08 0.07 -0.04 2.79 3.01 2gk6B1 ASN 886 HD21 0.03 -0.07 -0.00 -0.04 7.03 6.95 2gk6B1 ASN 886 HD22 0.05 0.21 0.07 -0.04 7.74 8.03 2gk6B1 HIS 887 H 0.21 0.41 -0.37 -0.55 8.41 8.12 2gk6B1 HIS 887 HA 0.09 0.05 0.47 -0.75 4.63 4.48 2gk6B1 HIS 887 HB2 0.05 0.12 0.10 -0.04 3.26 3.49 2gk6B1 HIS 887 HB3 0.13 0.10 0.05 -0.04 3.20 3.44 2gk6B1 HIS 887 HD2 -0.11 0.01 -0.04 -0.04 6.97 6.79 2gk6B1 HIS 887 HE1 0.01 0.01 -0.03 -0.04 7.75 7.70 2gk6B1 LEU 888 H 0.07 0.38 -0.17 -0.55 8.37 8.11 2gk6B1 LEU 888 HA -0.33 0.03 0.44 -0.75 4.35 3.74 2gk6B1 LEU 888 HB2 -0.61 0.10 0.14 -0.04 1.64 1.24 2gk6B1 LEU 888 HB3 -0.25 0.10 0.13 -0.04 1.64 1.58 2gk6B1 LEU 888 HG -0.98 -0.01 -0.04 -0.04 1.64 0.57 2gk6B1 LEU 888 HD13 -0.54 -0.03 -0.22 -0.04 0.93 0.10 2gk6B1 LEU 888 HD23 -1.26 -0.01 0.02 -0.04 0.89 -0.40 2gk6B1 LEU 889 H 0.03 0.54 -0.29 -0.55 8.37 8.10 2gk6B1 LEU 889 HA -0.12 0.01 0.39 -0.75 4.35 3.87 2gk6B1 LEU 889 HB2 -0.01 0.15 0.10 -0.04 1.64 1.84 2gk6B1 LEU 889 HB3 -0.10 -0.06 -0.03 -0.04 1.64 1.41 2gk6B1 LEU 889 HG 0.00 0.14 -0.06 -0.04 1.64 1.69 2gk6B1 LEU 889 HD13 -0.13 -0.04 -0.10 -0.04 0.93 0.61 2gk6B1 LEU 889 HD23 -0.87 -0.03 -0.09 -0.04 0.89 -0.14 2gk6B1 ASN 890 H 0.08 0.50 -0.14 -0.55 8.53 8.42 2gk6B1 ASN 890 HA 0.06 0.03 0.50 -0.75 4.76 4.60 2gk6B1 ASN 890 HB2 0.15 0.12 0.18 -0.04 2.88 3.29 2gk6B1 ASN 890 HB3 0.12 -0.02 0.01 -0.04 2.79 2.85 2gk6B1 ASN 890 HD21 0.06 -0.07 -0.01 -0.04 7.03 6.97 2gk6B1 ASN 890 HD22 0.11 0.32 0.01 -0.04 7.74 8.13 2gk6B1 TYR 891 H 0.17 0.44 -0.32 -0.55 8.29 8.03 2gk6B1 TYR 891 HA 0.03 0.06 0.55 -0.75 4.56 4.44 2gk6B1 TYR 891 HB2 -0.01 0.03 0.08 -0.04 3.06 3.12 2gk6B1 TYR 891 HB3 0.09 0.11 0.15 -0.04 2.98 3.28 2gk6B1 TYR 891 HD2 0.11 0.02 -0.03 -0.04 7.15 7.21 2gk6B1 TYR 891 HE2 0.00 0.02 -0.05 -0.04 6.85 6.79 2gk6B1 TYR 892 H 0.30 0.51 -0.09 -0.55 8.29 8.45 2gk6B1 TYR 892 HA -0.22 0.06 0.34 -0.75 4.56 3.99 2gk6B1 TYR 892 HB2 0.00 0.12 0.14 -0.04 3.06 3.28 2gk6B1 TYR 892 HB3 0.05 -0.08 -0.17 -0.04 2.98 2.74 2gk6B1 TYR 892 HD2 0.16 -0.02 -0.02 -0.04 7.15 7.23 2gk6B1 TYR 892 HE2 0.07 -0.04 -0.12 -0.04 6.85 6.71 2gk6B1 LYS 893 H 0.06 0.32 -0.51 -0.55 8.42 7.74 2gk6B1 LYS 893 HA 0.04 -0.03 0.52 -0.75 4.32 4.09 2gk6B1 LYS 893 HB2 0.04 0.02 0.11 -0.04 1.87 1.99 2gk6B1 LYS 893 HB3 0.03 0.15 0.12 -0.04 1.79 2.04 2gk6B1 LYS 893 HG2 0.02 0.02 -0.13 -0.04 1.46 1.32 2gk6B1 LYS 893 HG3 0.02 0.00 0.07 -0.04 1.46 1.51 2gk6B1 LYS 893 HD2 0.02 -0.05 0.00 -0.04 1.69 1.62 2gk6B1 LYS 893 HD3 0.02 -0.02 -0.01 -0.04 1.68 1.62 2gk6B1 LYS 893 HE2 0.01 -0.00 -0.00 -0.04 2.99 2.96 2gk6B1 LYS 893 HE3 0.02 0.12 0.06 -0.04 2.99 3.14 2gk6B1 GLU 894 H -0.04 0.35 -0.14 -0.55 8.60 8.22 2gk6B1 GLU 894 HA -0.02 0.04 0.49 -0.75 4.29 4.04 2gk6B1 GLU 894 HB2 -0.09 0.13 0.19 -0.04 2.09 2.28 2gk6B1 GLU 894 HB3 -0.03 -0.03 0.03 -0.04 1.99 1.92 2gk6B1 GLU 894 HG2 0.02 -0.05 0.06 -0.04 2.34 2.34 2gk6B1 GLU 894 HG3 0.02 0.08 0.12 -0.04 2.34 2.52 2gk6B1 GLN 895 H -0.25 0.32 -0.25 -0.55 8.47 7.74 2gk6B1 GLN 895 HA -0.12 0.10 0.51 -0.75 4.36 4.09 2gk6B1 GLN 895 HB2 -0.35 -0.01 -0.02 -0.04 2.15 1.73 2gk6B1 GLN 895 HB3 -0.22 -0.01 0.08 -0.04 2.02 1.83 2gk6B1 GLN 895 HG2 -0.94 0.23 0.02 -0.04 2.40 1.67 2gk6B1 GLN 895 HG3 -0.59 -0.04 -0.03 -0.04 2.39 1.68 2gk6B1 GLN 895 HE21 -0.05 -0.02 -0.05 -0.04 6.97 6.80 2gk6B1 GLN 895 HE22 -0.12 0.01 0.00 -0.04 7.69 7.55 2gk6B1 LYS 896 H -0.06 0.18 -0.72 -0.55 8.42 7.27 2gk6B1 LYS 896 HA 0.00 0.04 0.32 -0.75 4.32 3.92 2gk6B1 LYS 896 HB2 -0.02 0.14 -0.05 -0.04 1.87 1.91 2gk6B1 LYS 896 HB3 0.00 -0.05 0.15 -0.04 1.79 1.85 2gk6B1 LYS 896 HG2 -0.01 0.04 -0.00 -0.04 1.46 1.45 2gk6B1 LYS 896 HG3 -0.03 0.12 -0.30 -0.04 1.46 1.22 2gk6B1 LYS 896 HD2 -0.01 -0.01 -0.04 -0.04 1.69 1.59 2gk6B1 LYS 896 HD3 -0.00 -0.04 -0.00 -0.04 1.68 1.59 2gk6B1 LYS 896 HE2 -0.01 0.03 -0.00 -0.04 2.99 2.97 2gk6B1 LYS 896 HE3 -0.00 -0.07 0.00 -0.04 2.99 2.87 2gk6B1 VAL 897 H 0.01 0.54 -0.01 -0.55 8.24 8.23 2gk6B1 VAL 897 HA 0.12 0.24 0.88 -0.75 4.13 4.61 2gk6B1 VAL 897 HB 0.22 -0.01 0.27 -0.04 2.12 2.55 2gk6B1 VAL 897 HG13 -0.00 0.05 -0.11 -0.04 0.97 0.87 2gk6B1 VAL 897 HG23 -0.26 -0.04 -0.10 -0.04 0.95 0.51 2gk6B1 LEU 898 H 0.13 0.19 -0.12 -0.55 8.37 8.02 2gk6B1 LEU 898 HA 0.35 0.15 0.90 -0.75 4.35 4.99 2gk6B1 LEU 898 HB2 0.16 -0.04 -0.06 -0.04 1.64 1.66 2gk6B1 LEU 898 HB3 0.10 0.04 0.15 -0.04 1.64 1.89 2gk6B1 LEU 898 HG 0.08 -0.07 0.02 -0.04 1.64 1.62 2gk6B1 LEU 898 HD13 0.09 0.04 -0.01 -0.04 0.93 1.00 2gk6B1 LEU 898 HD23 -0.01 -0.00 -0.01 -0.04 0.89 0.83 2gk6B1 VAL 899 H 0.33 0.33 -0.11 -0.55 8.24 8.24 2gk6B1 VAL 899 HA 0.09 0.03 0.47 -0.75 4.13 3.97 2gk6B1 VAL 899 HB 0.05 -0.08 -0.05 -0.04 2.12 2.00 2gk6B1 VAL 899 HG13 0.04 0.06 -0.10 -0.04 0.97 0.92 2gk6B1 VAL 899 HG23 0.24 -0.00 -0.22 -0.04 0.95 0.93 2gk6B1 GLU 900 H 0.05 0.24 0.03 -0.55 8.60 8.38 2gk6B1 GLU 900 HA -0.14 0.10 0.64 -0.75 4.29 4.13 2gk6B1 GLU 900 HB2 0.00 -0.00 -0.32 -0.04 2.09 1.73 2gk6B1 GLU 900 HB3 -0.01 -0.00 -0.11 -0.04 1.99 1.83 2gk6B1 GLU 900 HG2 -0.07 -0.06 0.11 -0.04 2.34 2.28 2gk6B1 GLU 900 HG3 -0.12 0.14 0.20 -0.04 2.34 2.52 2gk6B1 GLY 901 H -0.09 0.12 0.13 -0.55 8.43 8.05 2gk6B1 GLY 901 HA2 0.02 -0.02 0.30 -0.51 4.01 3.80 2gk6B1 GLY 901 HA3 0.03 0.23 0.66 -0.51 4.01 4.42 2gk6B1 PRO 902 HA 0.08 -0.01 0.43 -0.51 4.44 4.44 2gk6B1 PRO 902 HB2 0.00 -0.04 -0.01 -0.04 2.28 2.20 2gk6B1 PRO 902 HB3 0.01 0.01 0.07 -0.04 2.02 2.08 2gk6B1 PRO 902 HG2 0.01 0.08 0.07 -0.04 2.03 2.16 2gk6B1 PRO 902 HG3 0.03 0.03 0.08 -0.04 2.03 2.12 2gk6B1 PRO 902 HD2 0.02 0.24 0.20 -0.04 3.68 4.09 2gk6B1 PRO 902 HD3 0.03 0.06 0.17 -0.04 3.65 3.87 2gk6B1 LEU 903 H 0.02 0.10 0.12 -0.55 8.37 8.06 2gk6B1 LEU 903 HA -0.07 0.13 0.26 -0.75 4.35 3.92 2gk6B1 LEU 903 HB2 -0.11 -0.04 0.08 -0.04 1.64 1.54 2gk6B1 LEU 903 HB3 -0.08 -0.02 0.01 -0.04 1.64 1.51 2gk6B1 LEU 903 HG -0.16 0.07 -0.11 -0.04 1.64 1.39 2gk6B1 LEU 903 HD13 -0.20 0.01 -0.05 -0.04 0.93 0.65 2gk6B1 LEU 903 HD23 -0.07 -0.01 -0.18 -0.04 0.89 0.58 2gk6B1 ASN 904 H -0.05 -0.03 -0.24 -0.55 8.53 7.67 2gk6B1 ASN 904 HA -0.14 0.16 0.41 -0.75 4.76 4.45 2gk6B1 ASN 904 HB2 -0.05 -0.04 -0.03 -0.04 2.88 2.72 2gk6B1 ASN 904 HB3 -0.07 0.05 0.04 -0.04 2.79 2.77 2gk6B1 ASN 904 HD21 -0.06 0.01 -0.03 -0.04 7.03 6.90 2gk6B1 ASN 904 HD22 -0.09 0.07 -0.00 -0.04 7.74 7.68 2gk6B1 ASN 905 H -0.04 0.09 -0.52 -0.55 8.53 7.50 2gk6B1 ASN 905 HA -0.07 0.21 0.69 -0.75 4.76 4.83 2gk6B1 ASN 905 HB2 -0.03 -0.04 -0.09 -0.04 2.88 2.67 2gk6B1 ASN 905 HB3 -0.02 -0.08 0.11 -0.04 2.79 2.76 2gk6B1 ASN 905 HD21 -0.02 -0.01 -0.01 -0.04 7.03 6.95 2gk6B1 ASN 905 HD22 -0.02 -0.06 -0.00 -0.04 7.74 7.62 2gk6B1 LEU 906 H -0.11 0.19 -0.23 -0.55 8.37 7.68 2gk6B1 LEU 906 HA -0.01 0.07 0.26 -0.75 4.35 3.92 2gk6B1 LEU 906 HB2 -0.19 0.12 0.05 -0.04 1.64 1.58 2gk6B1 LEU 906 HB3 -0.16 0.04 -0.05 -0.04 1.64 1.43 2gk6B1 LEU 906 HG -0.12 -0.06 -0.08 -0.04 1.64 1.33 2gk6B1 LEU 906 HD13 0.18 -0.03 -0.29 -0.04 0.93 0.75 2gk6B1 LEU 906 HD23 -0.55 0.01 -0.03 -0.04 0.89 0.28 2gk6B1 ARG 907 H 0.01 0.15 0.16 -0.55 8.46 8.22 2gk6B1 ARG 907 HA -0.02 0.23 0.87 -0.75 4.34 4.67 2gk6B1 ARG 907 HB2 0.00 -0.02 0.19 -0.04 1.90 2.04 2gk6B1 ARG 907 HB3 -0.00 -0.02 0.18 -0.04 1.80 1.92 2gk6B1 ARG 907 HG2 -0.01 0.01 -0.07 -0.04 1.67 1.56 2gk6B1 ARG 907 HG3 -0.01 0.22 -0.33 -0.04 1.67 1.51 2gk6B1 ARG 907 HD2 -0.00 -0.05 0.01 -0.04 3.22 3.13 2gk6B1 ARG 907 HD3 -0.01 -0.02 -0.01 -0.04 3.22 3.15 2gk6B1 GLU 908 H 0.01 0.15 0.06 -0.55 8.60 8.28 2gk6B1 GLU 908 HA 0.04 0.07 0.68 -0.75 4.29 4.33 2gk6B1 GLU 908 HB2 0.01 0.20 -0.26 -0.04 2.09 2.00 2gk6B1 GLU 908 HB3 0.01 -0.08 -0.01 -0.04 1.99 1.87 2gk6B1 GLU 908 HG2 0.02 -0.03 -0.15 -0.04 2.34 2.14 2gk6B1 GLU 908 HG3 0.03 0.06 -0.04 -0.04 2.34 2.34 2gk6B1 SER 909 H 0.05 0.42 0.27 -0.55 8.46 8.65 2gk6B1 SER 909 HA 0.01 0.00 0.42 -0.75 4.49 4.18 2gk6B1 SER 909 HB2 0.04 0.03 -0.07 -0.04 3.95 3.90 2gk6B1 SER 909 HB3 0.04 0.07 0.01 -0.04 3.93 4.02 2gk6B1 LEU 910 H 0.01 0.10 0.03 -0.55 8.37 7.96 2gk6B1 LEU 910 HA 0.01 0.18 0.70 -0.75 4.35 4.49 2gk6B1 LEU 910 HB2 0.01 -0.05 0.16 -0.04 1.64 1.72 2gk6B1 LEU 910 HB3 0.01 0.02 0.17 -0.04 1.64 1.79 2gk6B1 LEU 910 HG 0.01 0.11 -0.40 -0.04 1.64 1.32 2gk6B1 LEU 910 HD13 0.00 -0.02 -0.00 -0.04 0.93 0.88 2gk6B1 LEU 910 HD23 0.01 0.02 0.03 -0.04 0.89 0.91 2gk6B1 MET 911 H 0.01 0.13 -0.18 -0.55 8.47 7.87 2gk6B1 MET 911 HA -0.00 0.14 0.37 -0.75 4.52 4.28 2gk6B1 MET 911 HB2 -0.01 0.05 0.01 -0.04 2.15 2.17 2gk6B1 MET 911 HB3 -0.01 0.01 0.02 -0.04 2.03 2.01 2gk6B1 MET 911 HG2 -0.00 0.03 -0.05 -0.04 2.63 2.56 2gk6B1 MET 911 HG3 0.00 0.00 -0.04 -0.04 2.56 2.48 2gk6B1 MET 911 HE3 -0.01 0.00 -0.02 -0.04 2.10 2.04