============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 4 1.040 56.932 39.307 -15.930 -99.200 -91.000 TRP6 4 1.020 57.094 41.048 -14.349 -99.200 -91.000 TYR 5 0.840 51.685 39.738 -17.980 -99.200 -91.000 HIS 13 0.900 36.126 39.315 -8.569 -99.200 -91.000 TRP 14 1.040 32.983 38.506 -0.434 -99.200 -91.000 TRP6 14 1.020 31.917 36.693 0.654 -99.200 -91.000 PHE 16 1.000 21.802 42.829 -3.603 -99.200 -91.000 PHE 55 1.000 4.111 39.990 15.150 -99.200 -91.000 TRP 75 1.040 12.313 42.377 23.490 -99.200 -91.000 TRP6 75 1.020 11.242 41.963 21.422 -99.200 -91.000 PHE 87 1.000 -0.008 46.600 27.998 -99.200 -91.000 PHE 94 1.000 -8.025 54.711 39.499 -99.200 -91.000 PHE 99 1.000 -32.463 69.597 62.930 -99.200 -91.000 PHE 105 1.000 -35.452 78.241 66.383 -99.200 -91.000 TYR 157 0.840 -15.384 74.897 47.699 -99.200 -91.000 PHE 158 1.000 -14.936 75.263 42.629 -99.200 -91.000 TYR 161 0.840 -13.216 77.556 51.640 -99.200 -91.000 TYR 172 0.840 -11.329 76.593 38.971 -99.200 -91.000 TRP 191 1.040 0.738 57.198 36.205 -99.200 -91.000 TRP6 191 1.020 -0.001 55.952 34.336 -99.200 -91.000 PHE 193 1.000 -7.783 62.591 39.671 -99.200 -91.000 TYR 202 0.840 -11.145 67.003 26.284 -99.200 -91.000 HIS 222 0.900 7.130 58.497 37.233 -99.200 -91.000 TYR 230 0.840 4.580 58.959 24.683 -99.200 -91.000 TRP 243 1.040 11.459 51.878 22.355 -99.200 -91.000 TRP6 243 1.020 9.876 50.462 21.313 -99.200 -91.000 PHE 247 1.000 20.653 51.849 17.099 -99.200 -91.000 TYR 262 0.840 28.421 42.550 10.624 -99.200 -91.000 HIS 265 0.900 25.339 48.322 12.154 -99.200 -91.000 PHE 271 1.000 14.970 50.668 16.593 -99.200 -91.000 PHE 275 1.000 8.898 50.997 14.360 -99.200 -91.000 PHE 278 1.000 4.662 50.196 20.653 -99.200 -91.000 PHE 281 1.000 0.535 43.027 19.575 -99.200 -91.000 PHE 294 1.000 11.978 50.359 9.673 -99.200 -91.000 PHE 297 1.000 16.482 43.880 9.861 -99.200 -91.000 PHE 307 1.000 18.083 38.874 -2.836 -99.200 -91.000 PHE 313 1.000 11.337 44.540 8.158 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2pm7A1 ALA 373 HA -0.06 -0.05 0.20 -0.75 4.34 3.69 2pm7A1 ALA 373 HB3 -0.04 -0.01 0.00 -0.04 1.41 1.32 2pm7A1 PRO 374 HA -0.13 0.13 0.71 -0.51 4.44 4.65 2pm7A1 PRO 374 HB2 -0.29 -0.02 -0.04 -0.04 2.28 1.88 2pm7A1 PRO 374 HB3 -0.19 0.03 0.05 -0.04 2.02 1.87 2pm7A1 PRO 374 HG2 -0.15 -0.00 0.05 -0.04 2.03 1.89 2pm7A1 PRO 374 HG3 -0.11 0.05 -0.01 -0.04 2.03 1.92 2pm7A1 PRO 374 HD2 -0.12 0.06 0.20 -0.04 3.68 3.78 2pm7A1 PRO 374 HD3 -0.08 0.11 0.17 -0.04 3.65 3.80 2pm7A1 THR 375 H -0.16 0.25 0.16 -0.55 8.28 7.98 2pm7A1 THR 375 HA -0.22 0.17 0.92 -0.75 4.39 4.50 2pm7A1 THR 375 HB 0.02 -0.07 0.04 -0.04 4.32 4.27 2pm7A1 THR 375 HG23 -0.03 0.03 -0.27 -0.04 1.22 0.90 2pm7A1 TRP 376 H -0.05 0.13 0.13 -0.55 7.97 7.62 2pm7A1 TRP 376 HA -0.33 0.09 0.42 -0.75 4.62 4.05 2pm7A1 TRP 376 HB2 -0.51 -0.03 0.14 -0.04 3.23 2.79 2pm7A1 TRP 376 HB3 -1.41 0.01 0.02 -0.04 3.23 1.82 2pm7A1 TRP 376 HD1 -0.06 0.01 0.07 -0.04 7.22 7.20 2pm7A1 TRP 376 HE1 -0.03 0.01 0.01 -0.04 10.20 10.14 2pm7A1 TRP 376 HE3 -0.27 0.02 0.03 -0.04 7.59 7.33 2pm7A1 TRP 376 HZ2 -0.03 -0.00 -0.01 -0.04 7.44 7.36 2pm7A1 TRP 376 HZ3 -0.07 -0.00 -0.00 -0.04 7.13 7.02 2pm7A1 TRP 376 HH2 -0.03 -0.01 -0.01 -0.04 7.19 7.10 2pm7A1 TYR 377 H 0.16 0.10 -0.04 -0.55 8.29 7.96 2pm7A1 TYR 377 HA 0.10 0.25 0.90 -0.75 4.56 5.05 2pm7A1 TYR 377 HB2 0.08 0.02 -0.08 -0.04 3.06 3.04 2pm7A1 TYR 377 HB3 0.07 -0.04 0.12 -0.04 2.98 3.09 2pm7A1 TYR 377 HD2 0.11 0.03 -0.04 -0.04 7.15 7.20 2pm7A1 TYR 377 HE2 -0.02 0.01 -0.03 -0.04 6.85 6.76 2pm7A1 GLY 378 H 0.19 0.15 0.14 -0.55 8.43 8.37 2pm7A1 GLY 378 HA2 0.08 0.04 0.31 -0.51 4.01 3.93 2pm7A1 GLY 378 HA3 0.09 0.05 0.41 -0.51 4.01 4.05 2pm7A1 GLU 379 H 0.07 -0.02 -0.24 -0.55 8.60 7.86 2pm7A1 GLU 379 HA 0.02 0.14 0.49 -0.75 4.29 4.20 2pm7A1 GLU 379 HB2 0.02 -0.03 -0.05 -0.04 2.09 1.99 2pm7A1 GLU 379 HB3 0.02 -0.02 -0.04 -0.04 1.99 1.91 2pm7A1 GLU 379 HG2 -0.01 -0.05 0.02 -0.04 2.34 2.26 2pm7A1 GLU 379 HG3 -0.00 0.14 0.09 -0.04 2.34 2.53 2pm7A1 PRO 380 HA 0.01 0.08 0.54 -0.51 4.44 4.56 2pm7A1 PRO 380 HB2 0.00 -0.02 0.02 -0.04 2.28 2.24 2pm7A1 PRO 380 HB3 0.00 0.03 0.04 -0.04 2.02 2.06 2pm7A1 PRO 380 HG2 0.00 0.01 0.07 -0.04 2.03 2.08 2pm7A1 PRO 380 HG3 0.01 0.09 0.04 -0.04 2.03 2.12 2pm7A1 PRO 380 HD2 0.00 0.07 0.22 -0.04 3.68 3.93 2pm7A1 PRO 380 HD3 0.01 0.18 0.24 -0.04 3.65 4.04 2pm7A1 SER 381 H 0.01 0.23 0.11 -0.55 8.46 8.26 2pm7A1 SER 381 HA -0.00 0.08 0.43 -0.75 4.49 4.25 2pm7A1 SER 381 HB2 0.01 0.18 0.05 -0.04 3.95 4.15 2pm7A1 SER 381 HB3 0.02 0.04 -0.26 -0.04 3.93 3.69 2pm7A1 PRO 382 HA -0.01 0.14 0.51 -0.51 4.44 4.57 2pm7A1 PRO 382 HB2 -0.03 -0.06 0.07 -0.04 2.28 2.22 2pm7A1 PRO 382 HB3 -0.03 0.06 0.15 -0.04 2.02 2.15 2pm7A1 PRO 382 HG2 -0.02 0.04 0.09 -0.04 2.03 2.09 2pm7A1 PRO 382 HG3 -0.02 0.09 0.07 -0.04 2.03 2.14 2pm7A1 PRO 382 HD2 -0.01 0.09 0.22 -0.04 3.68 3.93 2pm7A1 PRO 382 HD3 -0.01 0.16 0.17 -0.04 3.65 3.93 2pm7A1 ALA 383 H 0.01 0.06 -0.25 -0.55 8.40 7.66 2pm7A1 ALA 383 HA 0.04 -0.00 0.26 -0.75 4.34 3.88 2pm7A1 ALA 383 HB3 0.07 0.04 -0.04 -0.04 1.41 1.44 2pm7A1 ALA 384 H -0.03 -0.08 -0.16 -0.55 8.40 7.59 2pm7A1 ALA 384 HA 0.00 0.42 0.56 -0.75 4.34 4.57 2pm7A1 ALA 384 HB3 -0.17 -0.04 0.03 -0.04 1.41 1.18 2pm7A1 HIS 385 H -0.03 0.55 0.39 -0.55 8.41 8.77 2pm7A1 HIS 385 HA -0.05 0.06 0.70 -0.75 4.63 4.59 2pm7A1 HIS 385 HB2 -0.02 -0.03 0.04 -0.04 3.26 3.21 2pm7A1 HIS 385 HB3 0.03 0.05 0.03 -0.04 3.20 3.28 2pm7A1 HIS 385 HD2 0.04 -0.05 0.02 -0.04 6.97 6.93 2pm7A1 HIS 385 HE1 -0.00 -0.06 -0.07 -0.04 7.75 7.58 2pm7A1 TRP 386 H 0.26 0.11 0.19 -0.55 7.97 7.97 2pm7A1 TRP 386 HA 0.05 0.28 0.95 -0.75 4.62 5.14 2pm7A1 TRP 386 HB2 0.03 -0.07 0.09 -0.04 3.23 3.24 2pm7A1 TRP 386 HB3 0.03 0.03 0.00 -0.04 3.23 3.26 2pm7A1 TRP 386 HD1 -0.01 -0.03 -0.01 -0.04 7.22 7.13 2pm7A1 TRP 386 HE1 -0.02 -0.02 -0.05 -0.04 10.20 10.06 2pm7A1 TRP 386 HE3 0.01 0.13 -0.19 -0.04 7.59 7.49 2pm7A1 TRP 386 HZ2 -0.02 -0.03 -0.06 -0.04 7.44 7.29 2pm7A1 TRP 386 HZ3 -0.01 0.12 -0.15 -0.04 7.13 7.05 2pm7A1 TRP 386 HH2 -0.01 -0.02 -0.09 -0.04 7.19 7.03 2pm7A1 ALA 387 H 0.31 0.91 0.39 -0.55 8.40 9.47 2pm7A1 ALA 387 HA 0.21 0.10 0.90 -0.75 4.34 4.80 2pm7A1 ALA 387 HB3 0.13 0.00 -0.05 -0.04 1.41 1.46 2pm7A1 PHE 388 H 0.31 0.11 0.11 -0.55 8.34 8.32 2pm7A1 PHE 388 HA 0.09 -0.03 0.34 -0.75 4.62 4.26 2pm7A1 PHE 388 HB2 0.09 -0.00 0.12 -0.04 3.15 3.31 2pm7A1 PHE 388 HB3 0.12 0.05 0.04 -0.04 3.06 3.22 2pm7A1 PHE 388 HD2 0.11 0.02 -0.04 -0.04 7.28 7.33 2pm7A1 PHE 388 HE2 0.21 0.03 -0.11 -0.04 7.38 7.47 2pm7A1 PHE 388 HZ 0.14 -0.01 -0.08 -0.04 7.32 7.33 2pm7A1 GLY 389 H -0.62 0.06 0.08 -0.55 8.43 7.41 2pm7A1 GLY 389 HA2 -0.61 0.09 0.28 -0.51 4.01 3.27 2pm7A1 GLY 389 HA3 -0.05 0.16 0.59 -0.51 4.01 4.20 2pm7A1 GLY 390 H -0.02 -0.03 -0.10 -0.55 8.43 7.73 2pm7A1 GLY 390 HA2 0.06 -0.08 0.30 -0.51 4.01 3.77 2pm7A1 GLY 390 HA3 0.00 0.26 0.49 -0.51 4.01 4.25 2pm7A1 LYS 391 H 0.18 0.62 0.02 -0.55 8.42 8.69 2pm7A1 LYS 391 HA 0.13 0.32 0.95 -0.75 4.32 4.97 2pm7A1 LYS 391 HB2 0.12 -0.10 0.01 -0.04 1.87 1.87 2pm7A1 LYS 391 HB3 0.08 -0.06 -0.04 -0.04 1.79 1.72 2pm7A1 LYS 391 HG2 0.08 -0.02 -0.20 -0.04 1.46 1.29 2pm7A1 LYS 391 HG3 0.09 -0.03 -0.44 -0.04 1.46 1.03 2pm7A1 LYS 391 HD2 0.11 0.03 -0.08 -0.04 1.69 1.71 2pm7A1 LYS 391 HD3 0.07 -0.10 -0.08 -0.04 1.68 1.53 2pm7A1 LYS 391 HE2 0.08 -0.04 -0.03 -0.04 2.99 2.96 2pm7A1 LYS 391 HE3 0.13 -0.04 0.07 -0.04 2.99 3.11 2pm7A1 LEU 392 H 0.03 0.84 0.39 -0.55 8.37 9.07 2pm7A1 LEU 392 HA -0.24 0.21 1.08 -0.75 4.35 4.64 2pm7A1 LEU 392 HB2 -0.55 0.00 -0.02 -0.04 1.64 1.04 2pm7A1 LEU 392 HB3 -0.14 -0.02 0.15 -0.04 1.64 1.59 2pm7A1 LEU 392 HG -0.22 -0.02 -0.21 -0.04 1.64 1.15 2pm7A1 LEU 392 HD13 -0.68 0.03 -0.08 -0.04 0.93 0.17 2pm7A1 LEU 392 HD23 -0.29 -0.02 -0.05 -0.04 0.89 0.48 2pm7A1 VAL 393 H -0.07 0.52 0.28 -0.55 8.24 8.42 2pm7A1 VAL 393 HA -0.04 0.22 0.89 -0.75 4.13 4.44 2pm7A1 VAL 393 HB -0.02 0.01 0.11 -0.04 2.12 2.18 2pm7A1 VAL 393 HG13 -0.04 -0.00 -0.12 -0.04 0.97 0.76 2pm7A1 VAL 393 HG23 0.01 -0.01 -0.10 -0.04 0.95 0.81 2pm7A1 GLN 394 H -0.04 0.35 0.35 -0.55 8.47 8.58 2pm7A1 GLN 394 HA -0.03 0.31 0.55 -0.75 4.36 4.43 2pm7A1 GLN 394 HB2 -0.05 -0.07 0.13 -0.04 2.15 2.13 2pm7A1 GLN 394 HB3 -0.09 0.01 -0.29 -0.04 2.02 1.61 2pm7A1 GLN 394 HG2 -0.05 0.09 -0.03 -0.04 2.40 2.37 2pm7A1 GLN 394 HG3 -0.04 0.01 -0.27 -0.04 2.39 2.05 2pm7A1 GLN 394 HE21 -0.05 -0.04 -0.05 -0.04 6.97 6.80 2pm7A1 GLN 394 HE22 -0.04 0.06 -0.07 -0.04 7.69 7.60 2pm7A1 ILE 395 H -0.02 0.27 0.32 -0.55 8.25 8.27 2pm7A1 ILE 395 HA -0.02 0.25 1.12 -0.75 4.18 4.78 2pm7A1 ILE 395 HB -0.01 -0.01 0.15 -0.04 1.89 1.98 2pm7A1 ILE 395 HG12 -0.01 -0.01 -0.08 -0.04 1.49 1.34 2pm7A1 ILE 395 HG13 -0.01 0.01 -0.21 -0.04 1.21 0.96 2pm7A1 ILE 395 HG23 -0.01 0.04 -0.11 -0.04 0.93 0.82 2pm7A1 ILE 395 HD13 0.00 0.02 -0.07 -0.04 0.88 0.79 2pm7A1 THR 396 H -0.01 0.55 0.18 -0.55 8.28 8.46 2pm7A1 THR 396 HA -0.01 0.18 0.47 -0.75 4.39 4.28 2pm7A1 THR 396 HB -0.01 -0.02 0.05 -0.04 4.32 4.30 2pm7A1 THR 396 HG23 -0.01 0.03 -0.13 -0.04 1.22 1.07 2pm7A1 PRO 397 HA -0.01 0.12 0.35 -0.51 4.44 4.38 2pm7A1 PRO 397 HB2 -0.01 0.01 0.01 -0.04 2.28 2.25 2pm7A1 PRO 397 HB3 -0.01 0.06 0.11 -0.04 2.02 2.14 2pm7A1 PRO 397 HG2 -0.01 0.04 0.07 -0.04 2.03 2.10 2pm7A1 PRO 397 HG3 -0.01 0.08 0.09 -0.04 2.03 2.15 2pm7A1 PRO 397 HD2 -0.01 0.08 0.17 -0.04 3.68 3.88 2pm7A1 PRO 397 HD3 -0.01 0.18 0.22 -0.04 3.65 4.00 2pm7A1 ASP 398 H -0.01 -0.03 -0.65 -0.55 8.40 7.17 2pm7A1 ASP 398 HA -0.00 0.21 0.67 -0.75 4.63 4.76 2pm7A1 ASP 398 HB2 -0.00 0.05 0.08 -0.04 2.71 2.80 2pm7A1 ASP 398 HB3 -0.00 0.04 0.02 -0.04 2.70 2.71 2pm7A1 GLY 399 H -0.00 0.73 -0.05 -0.55 8.43 8.56 2pm7A1 GLY 399 HA2 -0.00 0.07 0.28 -0.51 4.01 3.85 2pm7A1 GLY 399 HA3 0.00 0.12 0.41 -0.51 4.01 4.03 2pm7A1 LYS 400 H -0.00 -0.10 -0.50 -0.55 8.42 7.27 2pm7A1 LYS 400 HA -0.00 0.28 0.94 -0.75 4.32 4.79 2pm7A1 LYS 400 HB2 -0.00 -0.06 -0.05 -0.04 1.87 1.72 2pm7A1 LYS 400 HB3 -0.00 -0.01 0.11 -0.04 1.79 1.85 2pm7A1 LYS 400 HG2 -0.00 0.05 -0.16 -0.04 1.46 1.32 2pm7A1 LYS 400 HG3 -0.00 0.20 -0.29 -0.04 1.46 1.33 2pm7A1 LYS 400 HD2 -0.00 -0.05 -0.03 -0.04 1.69 1.57 2pm7A1 LYS 400 HD3 -0.00 -0.04 -0.02 -0.04 1.68 1.59 2pm7A1 LYS 400 HE2 0.00 -0.00 -0.02 -0.04 2.99 2.93 2pm7A1 LYS 400 HE3 0.00 0.11 0.01 -0.04 2.99 3.07 2pm7A1 GLY 401 H -0.01 0.00 0.04 -0.55 8.43 7.92 2pm7A1 GLY 401 HA2 -0.01 0.26 1.00 -0.51 4.01 4.76 2pm7A1 GLY 401 HA3 -0.01 -0.01 0.29 -0.51 4.01 3.77 2pm7A1 VAL 402 H -0.01 0.21 0.22 -0.55 8.24 8.11 2pm7A1 VAL 402 HA -0.02 0.33 1.05 -0.75 4.13 4.73 2pm7A1 VAL 402 HB -0.01 -0.04 0.09 -0.04 2.12 2.12 2pm7A1 VAL 402 HG13 -0.02 0.02 -0.09 -0.04 0.97 0.84 2pm7A1 VAL 402 HG23 -0.02 0.01 -0.12 -0.04 0.95 0.78 2pm7A1 SER 403 H -0.02 0.69 0.29 -0.55 8.46 8.87 2pm7A1 SER 403 HA -0.01 0.14 0.96 -0.75 4.49 4.82 2pm7A1 SER 403 HB2 -0.02 -0.02 -0.19 -0.04 3.95 3.69 2pm7A1 SER 403 HB3 -0.02 -0.01 -0.05 -0.04 3.93 3.80 2pm7A1 ILE 404 H -0.01 0.19 0.12 -0.55 8.25 8.00 2pm7A1 ILE 404 HA -0.01 0.25 0.92 -0.75 4.18 4.58 2pm7A1 ILE 404 HB 0.00 -0.01 0.15 -0.04 1.89 1.99 2pm7A1 ILE 404 HG12 0.00 0.03 -0.05 -0.04 1.49 1.44 2pm7A1 ILE 404 HG13 -0.00 0.01 -0.13 -0.04 1.21 1.04 2pm7A1 ILE 404 HG23 0.02 0.01 -0.17 -0.04 0.93 0.75 2pm7A1 ILE 404 HD13 -0.01 -0.06 -0.13 -0.04 0.88 0.64 2pm7A1 THR 405 H -0.01 0.50 0.26 -0.55 8.28 8.48 2pm7A1 THR 405 HA 0.01 0.21 0.88 -0.75 4.39 4.74 2pm7A1 THR 405 HB 0.01 -0.06 0.09 -0.04 4.32 4.31 2pm7A1 THR 405 HG23 -0.01 0.01 -0.32 -0.04 1.22 0.86 2pm7A1 ASN 406 H 0.03 0.14 0.09 -0.55 8.53 8.24 2pm7A1 ASN 406 HA 0.09 0.36 1.08 -0.75 4.76 5.54 2pm7A1 ASN 406 HB2 0.04 -0.13 0.19 -0.04 2.88 2.94 2pm7A1 ASN 406 HB3 0.05 0.09 0.13 -0.04 2.79 3.02 2pm7A1 ASN 406 HD21 0.06 0.08 -0.10 -0.04 7.03 7.03 2pm7A1 ASN 406 HD22 0.04 0.03 0.00 -0.04 7.74 7.78 2pm7A1 PRO 407 HA 0.05 -0.06 0.37 -0.51 4.44 4.29 2pm7A1 PRO 407 HB2 0.30 0.04 -0.07 -0.04 2.28 2.50 2pm7A1 PRO 407 HB3 0.11 -0.01 0.01 -0.04 2.02 2.08 2pm7A1 PRO 407 HG2 -0.06 0.02 -0.02 -0.04 2.03 1.93 2pm7A1 PRO 407 HG3 -0.04 -0.01 -0.00 -0.04 2.03 1.94 2pm7A1 PRO 407 HD2 0.28 0.31 0.15 -0.04 3.68 4.37 2pm7A1 PRO 407 HD3 0.06 0.18 -0.07 -0.04 3.65 3.79 2pm7A1 LYS 408 H 0.05 0.08 0.14 -0.55 8.42 8.14 2pm7A1 LYS 408 HA 0.04 0.19 0.68 -0.75 4.32 4.48 2pm7A1 LYS 408 HB2 0.03 0.03 0.13 -0.04 1.87 2.02 2pm7A1 LYS 408 HB3 0.03 -0.05 0.24 -0.04 1.79 1.97 2pm7A1 LYS 408 HG2 0.02 -0.03 0.01 -0.04 1.46 1.42 2pm7A1 LYS 408 HG3 0.03 -0.08 -0.20 -0.04 1.46 1.17 2pm7A1 LYS 408 HD2 0.02 0.12 -0.01 -0.04 1.69 1.78 2pm7A1 LYS 408 HD3 0.02 0.01 0.02 -0.04 1.68 1.68 2pm7A1 LYS 408 HE2 0.01 -0.04 -0.04 -0.04 2.99 2.89 2pm7A1 LYS 408 HE3 0.02 -0.06 -0.16 -0.04 2.99 2.74 2pm7A1 ILE 409 H 0.04 0.39 0.13 -0.55 8.25 8.27 2pm7A1 ILE 409 HA 0.05 0.08 0.79 -0.75 4.18 4.34 2pm7A1 ILE 409 HB 0.01 0.08 0.20 -0.04 1.89 2.14 2pm7A1 ILE 409 HG12 0.10 0.21 -0.14 -0.04 1.49 1.61 2pm7A1 ILE 409 HG13 -0.03 -0.00 -0.03 -0.04 1.21 1.10 2pm7A1 ILE 409 HG23 -0.02 0.00 -0.07 -0.04 0.93 0.80 2pm7A1 ILE 409 HD13 0.20 -0.01 -0.24 -0.04 0.88 0.79 2pm7A1 SER 410 H 0.03 0.21 0.09 -0.55 8.46 8.24 2pm7A1 SER 410 HA 0.02 -0.00 0.33 -0.75 4.49 4.08 2pm7A1 SER 410 HB2 0.02 0.01 0.01 -0.04 3.95 3.95 2pm7A1 SER 410 HB3 0.02 0.03 0.11 -0.04 3.93 4.04 2pm7A1 GLY 411 H 0.01 0.11 0.10 -0.55 8.43 8.11 2pm7A1 GLY 411 HA2 0.01 -0.01 0.36 -0.51 4.01 3.86 2pm7A1 GLY 411 HA3 0.03 0.12 0.63 -0.51 4.01 4.28 2pm7A1 LEU 412 H 0.02 0.70 -0.38 -0.55 8.37 8.17 2pm7A1 LEU 412 HA 0.02 0.13 0.93 -0.75 4.35 4.68 2pm7A1 LEU 412 HB2 0.05 -0.07 -0.08 -0.04 1.64 1.50 2pm7A1 LEU 412 HB3 0.01 0.07 0.20 -0.04 1.64 1.87 2pm7A1 LEU 412 HG 0.03 -0.00 -0.03 -0.04 1.64 1.59 2pm7A1 LEU 412 HD13 -0.04 -0.02 -0.06 -0.04 0.93 0.77 2pm7A1 LEU 412 HD23 -0.03 0.02 -0.34 -0.04 0.89 0.50 2pm7A1 GLU 413 H -0.00 0.25 0.09 -0.55 8.60 8.39 2pm7A1 GLU 413 HA -0.00 0.19 0.89 -0.75 4.29 4.61 2pm7A1 GLU 413 HB2 -0.00 0.00 -0.03 -0.04 2.09 2.01 2pm7A1 GLU 413 HB3 -0.00 -0.01 0.09 -0.04 1.99 2.03 2pm7A1 GLU 413 HG2 0.00 0.06 -0.12 -0.04 2.34 2.24 2pm7A1 GLU 413 HG3 0.00 -0.10 -0.43 -0.04 2.34 1.77 2pm7A1 SER 414 H -0.01 0.13 0.17 -0.55 8.46 8.20 2pm7A1 SER 414 HA -0.04 0.12 0.53 -0.75 4.49 4.34 2pm7A1 SER 414 HB2 -0.02 0.21 0.11 -0.04 3.95 4.21 2pm7A1 SER 414 HB3 -0.00 -0.06 0.08 -0.04 3.93 3.91 2pm7A1 ASN 415 H -0.02 0.18 0.12 -0.55 8.53 8.27 2pm7A1 ASN 415 HA 0.03 0.13 0.61 -0.75 4.76 4.77 2pm7A1 ASN 415 HB2 0.05 0.14 0.11 -0.04 2.88 3.15 2pm7A1 ASN 415 HB3 0.09 -0.02 0.20 -0.04 2.79 3.02 2pm7A1 ASN 415 HD21 0.11 0.02 -0.03 -0.04 7.03 7.08 2pm7A1 ASN 415 HD22 0.18 0.11 -0.00 -0.04 7.74 7.98 2pm7A1 THR 416 H 0.02 0.39 0.09 -0.55 8.28 8.22 2pm7A1 THR 416 HA 0.03 0.10 0.38 -0.75 4.39 4.15 2pm7A1 THR 416 HB 0.01 -0.08 0.17 -0.04 4.32 4.38 2pm7A1 THR 416 HG23 0.01 0.01 -0.11 -0.04 1.22 1.09 2pm7A1 THR 417 H 0.01 0.18 0.04 -0.55 8.28 7.97 2pm7A1 THR 417 HA 0.00 0.07 0.33 -0.75 4.39 4.04 2pm7A1 THR 417 HB 0.02 -0.02 0.04 -0.04 4.32 4.32 2pm7A1 THR 417 HG23 0.01 0.03 -0.14 -0.04 1.22 1.07 2pm7A1 LEU 418 H 0.07 0.10 -0.37 -0.55 8.37 7.62 2pm7A1 LEU 418 HA 0.11 0.04 0.34 -0.75 4.35 4.08 2pm7A1 LEU 418 HB2 0.16 -0.01 0.03 -0.04 1.64 1.78 2pm7A1 LEU 418 HB3 0.17 0.08 -0.01 -0.04 1.64 1.85 2pm7A1 LEU 418 HG 0.36 0.03 -0.21 -0.04 1.64 1.77 2pm7A1 LEU 418 HD13 0.29 -0.00 0.01 -0.04 0.93 1.19 2pm7A1 LEU 418 HD23 0.39 0.01 -0.06 -0.04 0.89 1.19 2pm7A1 SER 419 H 0.07 0.43 -0.20 -0.55 8.46 8.22 2pm7A1 SER 419 HA 0.09 0.07 0.50 -0.75 4.49 4.40 2pm7A1 SER 419 HB2 0.04 0.08 0.22 -0.04 3.95 4.26 2pm7A1 SER 419 HB3 0.05 -0.05 0.00 -0.04 3.93 3.89 2pm7A1 GLU 420 H 0.01 0.53 -0.05 -0.55 8.60 8.55 2pm7A1 GLU 420 HA -0.02 0.09 0.52 -0.75 4.29 4.13 2pm7A1 GLU 420 HB2 -0.00 -0.03 0.01 -0.04 2.09 2.02 2pm7A1 GLU 420 HB3 -0.02 0.04 0.05 -0.04 1.99 2.03 2pm7A1 GLU 420 HG2 -0.04 0.01 -0.12 -0.04 2.34 2.15 2pm7A1 GLU 420 HG3 -0.02 -0.00 0.07 -0.04 2.34 2.35 2pm7A1 ALA 421 H -0.06 0.69 -0.02 -0.55 8.40 8.47 2pm7A1 ALA 421 HA -0.24 -0.00 0.56 -0.75 4.34 3.90 2pm7A1 ALA 421 HB3 -0.32 -0.00 -0.06 -0.04 1.41 0.99 2pm7A1 LEU 422 H -0.06 0.34 -0.35 -0.55 8.37 7.76 2pm7A1 LEU 422 HA -0.06 0.07 0.38 -0.75 4.35 3.99 2pm7A1 LEU 422 HB2 0.07 0.27 0.21 -0.04 1.64 2.14 2pm7A1 LEU 422 HB3 0.03 0.04 0.09 -0.04 1.64 1.75 2pm7A1 LEU 422 HG -0.02 0.00 0.01 -0.04 1.64 1.59 2pm7A1 LEU 422 HD13 0.02 -0.00 0.02 -0.04 0.93 0.93 2pm7A1 LEU 422 HD23 -0.03 -0.03 -0.03 -0.04 0.89 0.76 2pm7A1 LYS 423 H -0.07 0.02 -0.70 -0.55 8.42 7.12 2pm7A1 LYS 423 HA -0.03 0.18 0.78 -0.75 4.32 4.51 2pm7A1 LYS 423 HB2 -0.01 -0.04 0.02 -0.04 1.87 1.80 2pm7A1 LYS 423 HB3 -0.01 0.03 0.04 -0.04 1.79 1.81 2pm7A1 LYS 423 HG2 -0.03 -0.02 0.29 -0.04 1.46 1.66 2pm7A1 LYS 423 HG3 -0.03 0.01 0.15 -0.04 1.46 1.54 2pm7A1 LYS 423 HD2 -0.01 -0.02 -0.00 -0.04 1.69 1.62 2pm7A1 LYS 423 HD3 0.00 0.01 -0.02 -0.04 1.68 1.63 2pm7A1 LYS 423 HE2 -0.01 -0.16 0.11 -0.04 2.99 2.89 2pm7A1 LYS 423 HE3 -0.02 0.02 0.06 -0.04 2.99 3.02 2pm7A1 THR 424 H -0.08 0.60 0.16 -0.55 8.28 8.41 2pm7A1 THR 424 HA -0.04 0.07 0.47 -0.75 4.39 4.13 2pm7A1 THR 424 HB -0.05 -0.03 0.12 -0.04 4.32 4.32 2pm7A1 THR 424 HG23 -0.04 0.01 0.11 -0.04 1.22 1.26 2pm7A1 LYS 425 H -0.20 0.23 -0.46 -0.55 8.42 7.43 2pm7A1 LYS 425 HA -0.49 0.25 0.28 -0.75 4.32 3.61 2pm7A1 LYS 425 HB2 -0.03 0.10 -0.27 -0.04 1.87 1.64 2pm7A1 LYS 425 HB3 0.07 -0.05 0.22 -0.04 1.79 1.98 2pm7A1 LYS 425 HG2 0.03 0.01 -0.04 -0.04 1.46 1.42 2pm7A1 LYS 425 HG3 -0.03 0.11 -0.27 -0.04 1.46 1.22 2pm7A1 LYS 425 HD2 -0.00 -0.04 -0.02 -0.04 1.69 1.59 2pm7A1 LYS 425 HD3 0.05 -0.01 0.03 -0.04 1.68 1.71 2pm7A1 LYS 425 HE2 0.06 -0.00 0.01 -0.04 2.99 3.02 2pm7A1 LYS 425 HE3 0.01 0.04 0.01 -0.04 2.99 3.00 2pm7A1 ASP 426 H -0.28 0.07 -0.25 -0.55 8.40 7.40 2pm7A1 ASP 426 HA 0.07 0.23 0.85 -0.75 4.63 5.03 2pm7A1 ASP 426 HB2 -0.01 0.16 -0.02 -0.04 2.71 2.80 2pm7A1 ASP 426 HB3 -0.06 -0.06 0.13 -0.04 2.70 2.67 2pm7A1 PHE 427 H 0.55 0.37 -0.03 -0.55 8.34 8.68 2pm7A1 PHE 427 HA 0.09 0.03 0.56 -0.75 4.62 4.54 2pm7A1 PHE 427 HB2 0.20 0.14 -0.00 -0.04 3.15 3.45 2pm7A1 PHE 427 HB3 0.17 -0.09 0.08 -0.04 3.06 3.18 2pm7A1 PHE 427 HD2 0.13 -0.02 -0.09 -0.04 7.28 7.26 2pm7A1 PHE 427 HE2 0.01 0.08 -0.13 -0.04 7.38 7.30 2pm7A1 PHE 427 HZ -0.01 0.07 -0.09 -0.04 7.32 7.25 2pm7A1 LYS 428 H 0.14 0.10 -0.57 -0.55 8.42 7.53 2pm7A1 LYS 428 HA 0.13 0.13 0.33 -0.75 4.32 4.16 2pm7A1 LYS 428 HB2 0.06 0.01 0.04 -0.04 1.87 1.94 2pm7A1 LYS 428 HB3 0.06 0.01 -0.03 -0.04 1.79 1.79 2pm7A1 LYS 428 HG2 0.12 -0.04 0.03 -0.04 1.46 1.53 2pm7A1 LYS 428 HG3 0.07 0.01 0.02 -0.04 1.46 1.51 2pm7A1 LYS 428 HD2 0.07 -0.02 0.01 -0.04 1.69 1.70 2pm7A1 LYS 428 HD3 0.10 0.03 0.03 -0.04 1.68 1.80 2pm7A1 LYS 428 HE2 0.11 0.09 0.02 -0.04 2.99 3.16 2pm7A1 LYS 428 HE3 0.07 -0.04 0.00 -0.04 2.99 2.98 2pm7A1 PRO 429 HA 0.01 0.11 0.47 -0.51 4.44 4.52 2pm7A1 PRO 429 HB2 0.00 -0.03 0.03 -0.04 2.28 2.24 2pm7A1 PRO 429 HB3 -0.00 0.04 0.03 -0.04 2.02 2.04 2pm7A1 PRO 429 HG2 -0.00 0.07 0.04 -0.04 2.03 2.09 2pm7A1 PRO 429 HG3 0.01 0.06 -0.00 -0.04 2.03 2.05 2pm7A1 PRO 429 HD2 0.02 0.26 0.02 -0.04 3.68 3.94 2pm7A1 PRO 429 HD3 0.04 0.06 0.04 -0.04 3.65 3.75 2pm7A1 LEU 430 H 0.05 0.17 -0.16 -0.55 8.37 7.89 2pm7A1 LEU 430 HA -0.02 -0.02 0.31 -0.75 4.35 3.86 2pm7A1 LEU 430 HB2 0.09 -0.03 0.02 -0.04 1.64 1.67 2pm7A1 LEU 430 HB3 0.24 0.12 0.02 -0.04 1.64 1.97 2pm7A1 LEU 430 HG 0.07 -0.09 -0.06 -0.04 1.64 1.51 2pm7A1 LEU 430 HD13 0.27 0.01 -0.09 -0.04 0.93 1.08 2pm7A1 LEU 430 HD23 0.12 0.01 -0.21 -0.04 0.89 0.76 2pm7A1 ILE 431 H 0.15 0.74 -0.22 -0.55 8.25 8.37 2pm7A1 ILE 431 HA 0.07 0.00 0.31 -0.75 4.18 3.81 2pm7A1 ILE 431 HB 0.13 0.10 0.06 -0.04 1.89 2.14 2pm7A1 ILE 431 HG12 0.32 0.15 0.03 -0.04 1.49 1.95 2pm7A1 ILE 431 HG13 0.20 0.06 -0.17 -0.04 1.21 1.26 2pm7A1 ILE 431 HG23 0.22 -0.01 -0.23 -0.04 0.93 0.87 2pm7A1 ILE 431 HD13 0.49 -0.02 -0.13 -0.04 0.88 1.19 2pm7A1 ASN 432 H 0.01 0.38 -0.30 -0.55 8.53 8.07 2pm7A1 ASN 432 HA -0.03 0.00 0.34 -0.75 4.76 4.31 2pm7A1 ASN 432 HB2 0.01 0.23 0.21 -0.04 2.88 3.29 2pm7A1 ASN 432 HB3 -0.03 0.04 0.17 -0.04 2.79 2.93 2pm7A1 ASN 432 HD21 -0.02 -0.03 -0.06 -0.04 7.03 6.88 2pm7A1 ASN 432 HD22 -0.03 -0.01 -0.11 -0.04 7.74 7.55 2pm7A1 GLN 433 H -0.11 0.63 -0.09 -0.55 8.47 8.36 2pm7A1 GLN 433 HA -0.11 -0.01 0.37 -0.75 4.36 3.87 2pm7A1 GLN 433 HB2 -0.15 0.10 0.14 -0.04 2.15 2.19 2pm7A1 GLN 433 HB3 -0.13 -0.02 -0.05 -0.04 2.02 1.77 2pm7A1 GLN 433 HG2 -0.06 -0.02 0.00 -0.04 2.40 2.28 2pm7A1 GLN 433 HG3 -0.06 0.12 -0.03 -0.04 2.39 2.38 2pm7A1 GLN 433 HE21 -0.03 -0.09 -0.02 -0.04 6.97 6.78 2pm7A1 GLN 433 HE22 -0.07 0.06 -0.04 -0.04 7.69 7.61 2pm7A1 ARG 434 H -0.47 0.44 -0.11 -0.55 8.46 7.77 2pm7A1 ARG 434 HA -0.46 0.02 0.26 -0.75 4.34 3.42 2pm7A1 ARG 434 HB2 -1.73 0.14 0.10 -0.04 1.90 0.37 2pm7A1 ARG 434 HB3 -2.08 -0.04 -0.10 -0.04 1.80 -0.45 2pm7A1 ARG 434 HG2 -0.68 -0.00 0.03 -0.04 1.67 0.98 2pm7A1 ARG 434 HG3 -1.71 -0.02 -0.02 -0.04 1.67 -0.12 2pm7A1 ARG 434 HD2 -0.35 -0.02 -0.00 -0.04 3.22 2.81 2pm7A1 ARG 434 HD3 -0.39 0.04 -0.02 -0.04 3.22 2.80 2pm7A1 LEU 435 H -0.39 0.57 -0.21 -0.55 8.37 7.80 2pm7A1 LEU 435 HA -0.10 -0.05 0.30 -0.75 4.35 3.74 2pm7A1 LEU 435 HB2 -0.06 0.21 0.06 -0.04 1.64 1.80 2pm7A1 LEU 435 HB3 -0.06 0.06 0.06 -0.04 1.64 1.66 2pm7A1 LEU 435 HG 0.01 -0.03 -0.07 -0.04 1.64 1.51 2pm7A1 LEU 435 HD13 0.13 -0.01 -0.13 -0.04 0.93 0.89 2pm7A1 LEU 435 HD23 0.03 -0.01 -0.08 -0.04 0.89 0.78 2pm7A1 VAL 436 H -0.13 0.59 -0.18 -0.55 8.24 7.98 2pm7A1 VAL 436 HA -0.05 -0.04 0.41 -0.75 4.13 3.69 2pm7A1 VAL 436 HB -0.09 0.13 0.17 -0.04 2.12 2.30 2pm7A1 VAL 436 HG13 -0.04 -0.04 -0.08 -0.04 0.97 0.76 2pm7A1 VAL 436 HG23 -0.05 0.07 0.05 -0.04 0.95 0.97 2pm7A1 LYS 437 H -0.14 0.53 -0.16 -0.55 8.42 8.09 2pm7A1 LYS 437 HA -0.07 0.14 0.83 -0.75 4.32 4.48 2pm7A1 LYS 437 HB2 -0.12 0.00 0.11 -0.04 1.87 1.82 2pm7A1 LYS 437 HB3 -0.07 -0.06 0.15 -0.04 1.79 1.77 2pm7A1 LYS 437 HG2 -0.06 0.01 -0.09 -0.04 1.46 1.29 2pm7A1 LYS 437 HG3 -0.08 0.01 -0.08 -0.04 1.46 1.27 2pm7A1 LYS 437 HD2 -0.07 -0.03 -0.02 -0.04 1.69 1.53 2pm7A1 LYS 437 HD3 -0.05 -0.01 -0.00 -0.04 1.68 1.57 2pm7A1 LYS 437 HE2 -0.04 0.01 -0.03 -0.04 2.99 2.89 2pm7A1 LYS 437 HE3 -0.05 -0.02 -0.03 -0.04 2.99 2.86 2pm7A1 VAL 438 H -0.08 0.29 -0.40 -0.55 8.24 7.50 2pm7A1 VAL 438 HA -0.09 -0.02 0.50 -0.75 4.13 3.77 2pm7A1 VAL 438 HB -0.05 0.08 0.03 -0.04 2.12 2.13 2pm7A1 VAL 438 HG13 -0.01 0.04 -0.02 -0.04 0.97 0.94 2pm7A1 VAL 438 HG23 0.08 -0.04 -0.24 -0.04 0.95 0.71 2pm7A1 ILE 439 H 0.00 0.00 0.05 -0.55 8.25 7.76 2pm7A1 ILE 439 HA -0.02 0.21 0.61 -0.75 4.18 4.23 2pm7A1 ILE 439 HB -0.02 -0.20 0.21 -0.04 1.89 1.84 2pm7A1 ILE 439 HG12 0.01 0.06 0.13 -0.04 1.49 1.65 2pm7A1 ILE 439 HG13 0.01 -0.10 0.11 -0.04 1.21 1.19 2pm7A1 ILE 439 HG23 -0.03 0.05 -0.02 -0.04 0.93 0.88 2pm7A1 ILE 439 HD13 -0.03 0.01 0.05 -0.04 0.88 0.88 2pm7A1 ASP 440 H -0.01 0.06 0.12 -0.55 8.40 8.02 2pm7A1 ASP 440 HA -0.00 0.16 0.37 -0.75 4.63 4.39 2pm7A1 ASP 440 HB2 -0.01 -0.04 0.18 -0.04 2.71 2.80 2pm7A1 ASP 440 HB3 -0.01 0.09 0.15 -0.04 2.70 2.89 2pm7A1 ASP 441 H 0.00 0.14 0.16 -0.55 8.40 8.15 2pm7A1 ASP 441 HA 0.01 0.20 0.40 -0.75 4.63 4.49 2pm7A1 ASP 441 HB2 0.00 -0.07 0.14 -0.04 2.71 2.74 2pm7A1 ASP 441 HB3 0.01 0.05 0.01 -0.04 2.70 2.73 2pm7A1 VAL 442 H 0.01 0.07 -0.09 -0.55 8.24 7.67 2pm7A1 VAL 442 HA 0.01 0.10 0.41 -0.75 4.13 3.90 2pm7A1 VAL 442 HB 0.00 -0.06 0.07 -0.04 2.12 2.09 2pm7A1 VAL 442 HG13 0.02 0.02 -0.16 -0.04 0.97 0.81 2pm7A1 VAL 442 HG23 0.01 0.01 0.05 -0.04 0.95 0.97 2pm7A1 ASN 443 H 0.01 0.06 -0.23 -0.55 8.53 7.81 2pm7A1 ASN 443 HA -0.04 0.05 0.32 -0.75 4.76 4.33 2pm7A1 ASN 443 HB2 0.01 -0.08 0.06 -0.04 2.88 2.83 2pm7A1 ASN 443 HB3 0.06 0.15 -0.07 -0.04 2.79 2.88 2pm7A1 ASN 443 HD21 0.07 0.06 -0.03 -0.04 7.03 7.09 2pm7A1 ASN 443 HD22 -0.10 -0.04 0.01 -0.04 7.74 7.57 2pm7A1 GLU 444 H 0.05 0.30 -0.53 -0.55 8.60 7.87 2pm7A1 GLU 444 HA 0.16 0.04 0.32 -0.75 4.29 4.06 2pm7A1 GLU 444 HB2 0.05 0.10 0.01 -0.04 2.09 2.20 2pm7A1 GLU 444 HB3 0.04 0.13 0.07 -0.04 1.99 2.20 2pm7A1 GLU 444 HG2 0.06 -0.06 -0.12 -0.04 2.34 2.19 2pm7A1 GLU 444 HG3 0.05 0.06 0.03 -0.04 2.34 2.44 2pm7A1 GLU 445 H 0.04 0.37 -0.19 -0.55 8.60 8.27 2pm7A1 GLU 445 HA 0.05 0.01 0.42 -0.75 4.29 4.02 2pm7A1 GLU 445 HB2 0.02 0.13 0.19 -0.04 2.09 2.39 2pm7A1 GLU 445 HB3 0.03 -0.04 0.01 -0.04 1.99 1.96 2pm7A1 GLU 445 HG2 0.03 -0.02 0.04 -0.04 2.34 2.35 2pm7A1 GLU 445 HG3 0.03 0.17 0.11 -0.04 2.34 2.60 2pm7A1 ASP 446 H -0.02 0.30 -0.15 -0.55 8.40 7.98 2pm7A1 ASP 446 HA -0.05 0.00 0.32 -0.75 4.63 4.14 2pm7A1 ASP 446 HB2 -0.31 0.16 0.16 -0.04 2.71 2.68 2pm7A1 ASP 446 HB3 -0.52 -0.00 -0.04 -0.04 2.70 2.09 2pm7A1 TRP 447 H 0.03 0.37 -0.17 -0.55 7.97 7.66 2pm7A1 TRP 447 HA -0.06 0.03 0.39 -0.75 4.62 4.22 2pm7A1 TRP 447 HB2 -0.04 0.08 0.06 -0.04 3.23 3.28 2pm7A1 TRP 447 HB3 -0.04 -0.02 -0.06 -0.04 3.23 3.07 2pm7A1 TRP 447 HD1 -0.09 0.08 -0.12 -0.04 7.22 7.04 2pm7A1 TRP 447 HE1 -0.14 -0.04 -0.05 -0.04 10.20 9.93 2pm7A1 TRP 447 HE3 -0.04 0.02 -0.00 -0.04 7.59 7.53 2pm7A1 TRP 447 HZ2 -0.12 0.11 0.06 -0.04 7.44 7.45 2pm7A1 TRP 447 HZ3 0.01 -0.04 -0.15 -0.04 7.13 6.91 2pm7A1 TRP 447 HH2 -0.03 -0.10 -0.32 -0.04 7.19 6.70 2pm7A1 ASN 448 H 0.14 0.50 -0.21 -0.55 8.53 8.40 2pm7A1 ASN 448 HA 0.10 -0.04 0.30 -0.75 4.76 4.36 2pm7A1 ASN 448 HB2 0.07 0.15 0.19 -0.04 2.88 3.25 2pm7A1 ASN 448 HB3 0.07 -0.10 0.13 -0.04 2.79 2.86 2pm7A1 ASN 448 HD21 0.06 -0.01 -0.02 -0.04 7.03 7.02 2pm7A1 ASN 448 HD22 0.07 -0.05 0.00 -0.04 7.74 7.72 2pm7A1 LEU 450 HA -0.36 -0.12 0.28 -0.75 4.35 3.39 2pm7A1 LEU 450 HB2 -0.01 0.09 0.04 -0.04 1.64 1.72 2pm7A1 LEU 450 HB3 -0.16 -0.09 -0.04 -0.04 1.64 1.30 2pm7A1 LEU 450 HG -0.26 0.32 0.09 -0.04 1.64 1.74 2pm7A1 LEU 450 HD13 -0.50 -0.04 -0.05 -0.04 0.93 0.30 2pm7A1 LEU 450 HD23 -0.09 -0.03 -0.01 -0.04 0.89 0.72 2pm7A1 GLU 451 H 0.04 0.54 -1.23 -0.55 8.60 7.40 2pm7A1 GLU 451 HA 0.06 -0.04 0.38 -0.75 4.29 3.94 2pm7A1 GLU 451 HB2 0.10 -0.01 -0.03 -0.04 2.09 2.10 2pm7A1 GLU 451 HB3 0.07 0.08 0.17 -0.04 1.99 2.26 2pm7A1 GLU 451 HG2 0.05 0.01 -0.33 -0.04 2.34 2.03 2pm7A1 GLU 451 HG3 0.06 -0.06 -0.04 -0.04 2.34 2.26 2pm7A1 LYS 452 H 0.01 0.65 0.24 -0.55 8.42 8.77 2pm7A1 LYS 452 HA 0.05 0.07 0.55 -0.75 4.32 4.24 2pm7A1 LYS 452 HB2 0.13 0.03 0.08 -0.04 1.87 2.07 2pm7A1 LYS 452 HB3 0.14 -0.01 0.00 -0.04 1.79 1.88 2pm7A1 LYS 452 HG2 0.07 -0.03 0.03 -0.04 1.46 1.48 2pm7A1 LYS 452 HG3 0.07 0.04 0.09 -0.04 1.46 1.62 2pm7A1 LYS 452 HD2 0.14 0.03 0.01 -0.04 1.69 1.83 2pm7A1 LYS 452 HD3 0.10 -0.01 -0.01 -0.04 1.68 1.72 2pm7A1 LYS 452 HE2 0.06 -0.03 -0.00 -0.04 2.99 2.98 2pm7A1 LYS 452 HE3 0.07 -0.00 0.02 -0.04 2.99 3.04 2pm7A1 LEU 453 H -0.20 0.17 -0.17 -0.55 8.37 7.62 2pm7A1 LEU 453 HA -0.23 0.02 0.18 -0.75 4.35 3.56 2pm7A1 LEU 453 HB2 -0.81 0.00 0.01 -0.04 1.64 0.79 2pm7A1 LEU 453 HB3 -0.66 0.12 -0.02 -0.04 1.64 1.03 2pm7A1 LEU 453 HG -1.06 -0.00 -0.13 -0.04 1.64 0.41 2pm7A1 LEU 453 HD13 -0.55 -0.01 -0.13 -0.04 0.93 0.20 2pm7A1 LEU 453 HD23 -0.56 0.00 -0.04 -0.04 0.89 0.25 2pm7A1 SER 454 H -0.15 0.21 -1.07 -0.55 8.46 6.91 2pm7A1 SER 454 HA 0.17 0.01 0.30 -0.75 4.49 4.21 2pm7A1 SER 454 HB2 0.04 0.07 0.03 -0.04 3.95 4.05 2pm7A1 SER 454 HB3 0.05 0.39 0.14 -0.04 3.93 4.46 2pm7A1 ASP 456 HA 0.07 -0.12 0.28 -0.75 4.63 4.11 2pm7A1 ASP 456 HB2 0.14 0.05 -0.13 -0.04 2.71 2.73 2pm7A1 ASP 456 HB3 0.09 -0.10 -0.07 -0.04 2.70 2.58 2pm7A1 GLY 457 H 0.10 0.37 -0.55 -0.55 8.43 7.80 2pm7A1 GLY 457 HA2 0.21 0.17 0.36 -0.51 4.01 4.24 2pm7A1 GLY 457 HA3 0.12 0.02 0.63 -0.51 4.01 4.26 2pm7A1 THR 458 H 0.18 0.20 0.19 -0.55 8.28 8.29 2pm7A1 THR 458 HA 0.11 0.08 0.40 -0.75 4.39 4.23 2pm7A1 THR 458 HB 0.12 0.16 0.24 -0.04 4.32 4.81 2pm7A1 THR 458 HG23 0.05 -0.03 0.17 -0.04 1.22 1.37 2pm7A1 GLU 459 H 0.07 0.14 0.03 -0.55 8.60 8.30 2pm7A1 GLU 459 HA 0.06 0.08 0.37 -0.75 4.29 4.04 2pm7A1 GLU 459 HB2 0.04 0.03 0.13 -0.04 2.09 2.24 2pm7A1 GLU 459 HB3 0.05 -0.01 0.09 -0.04 1.99 2.08 2pm7A1 GLU 459 HG2 0.03 0.00 -0.24 -0.04 2.34 2.09 2pm7A1 GLU 459 HG3 0.02 0.02 0.01 -0.04 2.34 2.35 2pm7A1 GLU 460 H 0.08 0.19 -0.28 -0.55 8.60 8.04 2pm7A1 GLU 460 HA 0.04 -0.01 0.41 -0.75 4.29 3.98 2pm7A1 GLU 460 HB2 0.09 0.39 -0.05 -0.04 2.09 2.47 2pm7A1 GLU 460 HB3 0.06 -0.06 0.00 -0.04 1.99 1.95 2pm7A1 GLU 460 HG2 0.05 -0.10 0.03 -0.04 2.34 2.27 2pm7A1 GLU 460 HG3 0.05 0.08 0.06 -0.04 2.34 2.49 2pm7A1 PHE 461 H 0.22 0.39 -0.48 -0.55 8.34 7.91 2pm7A1 PHE 461 HA 0.01 0.01 0.38 -0.75 4.62 4.26 2pm7A1 PHE 461 HB2 0.01 0.15 -0.02 -0.04 3.15 3.25 2pm7A1 PHE 461 HB3 0.02 0.13 0.20 -0.04 3.06 3.37 2pm7A1 PHE 461 HD2 0.01 0.02 -0.16 -0.04 7.28 7.11 2pm7A1 PHE 461 HE2 0.02 -0.03 -0.12 -0.04 7.38 7.22 2pm7A1 PHE 461 HZ 0.02 -0.01 -0.11 -0.04 7.32 7.18 2pm7A1 LEU 462 H 0.19 0.62 0.03 -0.55 8.37 8.67 2pm7A1 LEU 462 HA -0.08 -0.00 0.28 -0.75 4.35 3.80 2pm7A1 LEU 462 HB2 0.06 0.08 0.04 -0.04 1.64 1.77 2pm7A1 LEU 462 HB3 0.04 -0.03 -0.01 -0.04 1.64 1.60 2pm7A1 LEU 462 HG 0.21 0.11 0.00 -0.04 1.64 1.93 2pm7A1 LEU 462 HD13 0.08 0.01 -0.09 -0.04 0.93 0.89 2pm7A1 LEU 462 HD23 0.22 -0.02 -0.11 -0.04 0.89 0.94 2pm7A1 LYS 463 H -0.01 0.31 -0.60 -0.55 8.42 7.56 2pm7A1 LYS 463 HA -0.06 0.04 0.39 -0.75 4.32 3.95 2pm7A1 LYS 463 HB2 -0.01 0.15 0.15 -0.04 1.87 2.11 2pm7A1 LYS 463 HB3 -0.03 -0.05 -0.03 -0.04 1.79 1.64 2pm7A1 LYS 463 HG2 -0.01 -0.04 -0.01 -0.04 1.46 1.35 2pm7A1 LYS 463 HG3 0.00 0.20 0.02 -0.04 1.46 1.64 2pm7A1 LYS 463 HD2 0.01 -0.01 -0.02 -0.04 1.69 1.63 2pm7A1 LYS 463 HD3 -0.00 -0.03 -0.02 -0.04 1.68 1.58 2pm7A1 LYS 463 HE2 0.00 -0.01 -0.03 -0.04 2.99 2.91 2pm7A1 LYS 463 HE3 0.01 -0.00 -0.08 -0.04 2.99 2.88 2pm7A1 GLU 464 H -0.07 0.49 0.02 -0.55 8.60 8.49 2pm7A1 GLU 464 HA -0.08 -0.04 0.34 -0.75 4.29 3.76 2pm7A1 GLU 464 HB2 -0.05 0.02 0.16 -0.04 2.09 2.18 2pm7A1 GLU 464 HB3 -0.14 0.14 0.11 -0.04 1.99 2.07 2pm7A1 GLU 464 HG2 -0.08 -0.01 -0.07 -0.04 2.34 2.14 2pm7A1 GLU 464 HG3 -0.04 -0.06 0.07 -0.04 2.34 2.26 2pm7A1 ALA 465 H -0.24 0.32 -0.66 -0.55 8.40 7.27 2pm7A1 ALA 465 HA -0.14 0.10 0.70 -0.75 4.34 4.25 2pm7A1 ALA 465 HB3 -0.34 -0.02 -0.03 -0.04 1.41 0.99 2pm7A1 LEU 466 H -0.15 0.50 -0.13 -0.55 8.37 8.04 2pm7A1 LEU 466 HA -0.32 0.10 0.93 -0.75 4.35 4.31 2pm7A1 LEU 466 HB2 -0.12 0.19 0.16 -0.04 1.64 1.83 2pm7A1 LEU 466 HB3 -0.21 -0.13 0.18 -0.04 1.64 1.45 2pm7A1 LEU 466 HG -0.00 0.01 -0.13 -0.04 1.64 1.48 2pm7A1 LEU 466 HD13 0.00 -0.02 -0.05 -0.04 0.93 0.81 2pm7A1 LEU 466 HD23 0.04 -0.01 -0.05 -0.04 0.89 0.83 2pm7A1 ALA 467 H -0.22 0.17 -0.28 -0.55 8.40 7.52 2pm7A1 ALA 467 HA -0.37 0.08 0.68 -0.75 4.34 3.98 2pm7A1 ALA 467 HB3 -0.09 -0.01 0.05 -0.04 1.41 1.32 2pm7A1 PHE 468 H 0.03 0.07 0.10 -0.55 8.34 7.99 2pm7A1 PHE 468 HA -0.08 0.23 0.82 -0.75 4.62 4.83 2pm7A1 PHE 468 HB2 -0.04 0.02 0.03 -0.04 3.15 3.12 2pm7A1 PHE 468 HB3 -0.05 -0.13 0.13 -0.04 3.06 2.96 2pm7A1 PHE 468 HD2 -0.06 -0.03 -0.03 -0.04 7.28 7.12 2pm7A1 PHE 468 HE2 -0.04 -0.05 -0.12 -0.04 7.38 7.13 2pm7A1 PHE 468 HZ 0.01 -0.00 -0.04 -0.04 7.32 7.25 2pm7A1 ASP 469 H 0.17 0.11 0.03 -0.55 8.40 8.16 2pm7A1 ASP 469 HA 0.04 0.14 0.17 -0.75 4.63 4.24 2pm7A1 ASP 469 HB2 0.04 -0.00 0.07 -0.04 2.71 2.77 2pm7A1 ASP 469 HB3 0.03 0.03 0.06 -0.04 2.70 2.78 2pm7A1 GLU 495 HA -0.00 -0.13 0.24 -0.75 4.29 3.64 2pm7A1 GLU 495 HB2 -0.01 -0.02 0.07 -0.04 2.09 2.09 2pm7A1 GLU 495 HB3 0.00 0.04 -0.04 -0.04 1.99 1.95 2pm7A1 GLU 495 HG2 -0.00 -0.02 0.04 -0.04 2.34 2.32 2pm7A1 GLU 495 HG3 -0.01 -0.01 0.04 -0.04 2.34 2.32 2pm7A1 THR 496 H 0.00 0.03 0.08 -0.55 8.28 7.85 2pm7A1 THR 496 HA 0.01 0.22 0.73 -0.75 4.39 4.60 2pm7A1 THR 496 HB 0.01 -0.03 0.06 -0.04 4.32 4.31 2pm7A1 THR 496 HG23 0.01 0.02 0.13 -0.04 1.22 1.34 2pm7A1 ASN 497 H 0.04 0.19 0.13 -0.55 8.53 8.34 2pm7A1 ASN 497 HA 0.03 0.02 0.31 -0.75 4.76 4.37 2pm7A1 ASN 497 HB2 0.02 0.11 0.00 -0.04 2.88 2.97 2pm7A1 ASN 497 HB3 0.05 -0.13 0.43 -0.04 2.79 3.10 2pm7A1 ASN 497 HD21 -0.01 -0.02 -0.02 -0.04 7.03 6.94 2pm7A1 ASN 497 HD22 0.00 0.02 -0.02 -0.04 7.74 7.70 2pm7A1 PHE 498 H 0.08 0.09 0.05 -0.55 8.34 8.01 2pm7A1 PHE 498 HA -0.03 -0.04 0.35 -0.75 4.62 4.15 2pm7A1 PHE 498 HB2 -0.03 -0.02 -0.15 -0.04 3.15 2.92 2pm7A1 PHE 498 HB3 -0.03 0.39 0.51 -0.04 3.06 3.89 2pm7A1 PHE 498 HD2 -0.04 0.01 -0.04 -0.04 7.28 7.17 2pm7A1 PHE 498 HE2 -0.07 -0.01 -0.10 -0.04 7.38 7.16 2pm7A1 PHE 498 HZ -0.14 -0.03 -0.08 -0.04 7.32 7.03 2pm7A1 GLN 499 H -0.28 0.16 0.08 -0.55 8.47 7.89 2pm7A1 GLN 499 HA -0.44 0.25 0.89 -0.75 4.36 4.31 2pm7A1 GLN 499 HB2 -0.16 -0.06 0.12 -0.04 2.15 2.01 2pm7A1 GLN 499 HB3 -0.18 0.09 -0.00 -0.04 2.02 1.88 2pm7A1 GLN 499 HG2 -0.12 0.08 -0.09 -0.04 2.40 2.23 2pm7A1 GLN 499 HG3 -0.10 -0.12 -0.22 -0.04 2.39 1.92 2pm7A1 GLN 499 HE21 -0.04 -0.02 -0.02 -0.04 6.97 6.84 2pm7A1 GLN 499 HE22 -0.06 0.03 -0.02 -0.04 7.69 7.59 2pm7A1 PRO 500 HA -0.34 0.02 0.46 -0.51 4.44 4.08 2pm7A1 PRO 500 HB2 -0.16 -0.01 0.02 -0.04 2.28 2.08 2pm7A1 PRO 500 HB3 -0.17 0.04 0.04 -0.04 2.02 1.88 2pm7A1 PRO 500 HG2 -0.17 0.03 0.03 -0.04 2.03 1.88 2pm7A1 PRO 500 HG3 -0.50 0.04 -0.02 -0.04 2.03 1.51 2pm7A1 PRO 500 HD2 -0.32 0.07 0.19 -0.04 3.68 3.59 2pm7A1 PRO 500 HD3 -0.77 0.30 0.07 -0.04 3.65 3.21 2pm7A1 GLU 501 H -0.09 0.21 0.20 -0.55 8.60 8.37 2pm7A1 GLU 501 HA -0.05 0.11 0.88 -0.75 4.29 4.48 2pm7A1 GLU 501 HB2 -0.03 -0.01 0.06 -0.04 2.09 2.08 2pm7A1 GLU 501 HB3 -0.02 -0.05 -0.03 -0.04 1.99 1.85 2pm7A1 GLU 501 HG2 -0.09 0.18 -0.51 -0.04 2.34 1.87 2pm7A1 GLU 501 HG3 -0.04 -0.03 -0.06 -0.04 2.34 2.17 2pm7A1 GLY 502 H 0.01 0.07 0.11 -0.55 8.43 8.07 2pm7A1 GLY 502 HA2 0.04 -0.03 0.35 -0.51 4.01 3.86 2pm7A1 GLY 502 HA3 0.04 0.05 0.34 -0.51 4.01 3.93 2pm7A1 ASP 503 H 0.06 0.03 0.16 -0.55 8.40 8.11 2pm7A1 ASP 503 HA 0.13 0.07 0.48 -0.75 4.63 4.56 2pm7A1 ASP 503 HB2 0.05 -0.01 0.06 -0.04 2.71 2.77 2pm7A1 ASP 503 HB3 0.03 0.04 0.08 -0.04 2.70 2.80 2pm7A1 PHE 504 H 0.02 0.29 0.27 -0.55 8.34 8.37 2pm7A1 PHE 504 HA 0.01 0.09 0.47 -0.75 4.62 4.43 2pm7A1 PHE 504 HB2 0.02 -0.05 0.15 -0.04 3.15 3.24 2pm7A1 PHE 504 HB3 0.03 0.21 -0.20 -0.04 3.06 3.06 2pm7A1 PHE 504 HD2 0.02 0.04 -0.10 -0.04 7.28 7.20 2pm7A1 PHE 504 HE2 0.02 -0.01 -0.10 -0.04 7.38 7.26 2pm7A1 PHE 504 HZ 0.03 -0.00 -0.08 -0.04 7.32 7.23 2pm7A1 SER 505 H 0.15 0.30 0.18 -0.55 8.46 8.54 2pm7A1 SER 505 HA -0.35 0.09 0.43 -0.75 4.49 3.90 2pm7A1 SER 505 HB2 -0.08 0.01 -0.02 -0.04 3.95 3.82 2pm7A1 SER 505 HB3 -0.12 0.17 0.04 -0.04 3.93 3.97 2pm7A1 LEU 506 H -0.09 0.18 0.08 -0.55 8.37 7.99 2pm7A1 LEU 506 HA 0.05 0.09 0.58 -0.75 4.35 4.32 2pm7A1 LEU 506 HB2 -0.02 0.01 0.18 -0.04 1.64 1.76 2pm7A1 LEU 506 HB3 0.01 -0.03 -0.03 -0.04 1.64 1.55 2pm7A1 LEU 506 HG -0.03 -0.02 -0.02 -0.04 1.64 1.53 2pm7A1 LEU 506 HD13 0.01 0.01 -0.05 -0.04 0.93 0.86 2pm7A1 LEU 506 HD23 0.09 0.01 -0.12 -0.04 0.89 0.83 2pm7A1 SER 507 H 0.04 0.27 0.26 -0.55 8.46 8.48 2pm7A1 SER 507 HA 0.01 0.10 0.77 -0.75 4.49 4.61 2pm7A1 SER 507 HB2 0.01 -0.01 0.02 -0.04 3.95 3.93 2pm7A1 SER 507 HB3 0.02 0.03 0.01 -0.04 3.93 3.94 2pm7A1 GLY 508 H 0.01 0.15 0.11 -0.55 8.43 8.15 2pm7A1 GLY 508 HA2 0.01 0.03 0.40 -0.51 4.01 3.94 2pm7A1 GLY 508 HA3 0.01 0.18 0.76 -0.51 4.01 4.45 2pm7A1 ASN 509 H 0.00 0.18 0.15 -0.55 8.53 8.33 2pm7A1 ASN 509 HA 0.00 0.12 0.44 -0.75 4.76 4.57 2pm7A1 ASN 509 HB2 0.00 0.04 0.06 -0.04 2.88 2.94 2pm7A1 ASN 509 HB3 0.00 0.06 0.05 -0.04 2.79 2.86 2pm7A1 ASN 509 HD21 0.00 0.02 0.03 -0.04 7.03 7.04 2pm7A1 ASN 509 HD22 0.00 0.05 0.02 -0.04 7.74 7.77 2pm7A1 ILE 510 H 0.01 0.05 -0.09 -0.55 8.25 7.67 2pm7A1 ILE 510 HA 0.01 0.13 0.35 -0.75 4.18 3.92 2pm7A1 ILE 510 HB 0.01 -0.07 0.09 -0.04 1.89 1.87 2pm7A1 ILE 510 HG12 0.01 0.10 0.02 -0.04 1.49 1.58 2pm7A1 ILE 510 HG13 0.01 -0.13 0.07 -0.04 1.21 1.11 2pm7A1 ILE 510 HG23 0.01 0.05 -0.20 -0.04 0.93 0.75 2pm7A1 ILE 510 HD13 0.01 0.03 0.02 -0.04 0.88 0.89 2pm7A1 GLU 511 H 0.01 0.13 -0.20 -0.55 8.60 8.00 2pm7A1 GLU 511 HA 0.02 0.09 0.29 -0.75 4.29 3.93 2pm7A1 GLU 511 HB2 0.02 0.04 -0.08 -0.04 2.09 2.03 2pm7A1 GLU 511 HB3 0.03 -0.01 -0.07 -0.04 1.99 1.90 2pm7A1 GLU 511 HG2 0.02 0.01 0.01 -0.04 2.34 2.34 2pm7A1 GLU 511 HG3 0.02 0.02 0.08 -0.04 2.34 2.41 2pm7A1 GLN 512 H 0.01 0.36 -0.31 -0.55 8.47 7.99 2pm7A1 GLN 512 HA 0.01 -0.03 0.27 -0.75 4.36 3.85 2pm7A1 GLN 512 HB2 0.00 0.05 0.06 -0.04 2.15 2.23 2pm7A1 GLN 512 HB3 0.00 -0.03 -0.02 -0.04 2.02 1.93 2pm7A1 GLN 512 HG2 -0.00 -0.08 0.02 -0.04 2.40 2.29 2pm7A1 GLN 512 HG3 0.00 0.10 -0.10 -0.04 2.39 2.36 2pm7A1 GLN 512 HE21 -0.01 -0.05 0.00 -0.04 6.97 6.87 2pm7A1 GLN 512 HE22 -0.01 -0.05 0.03 -0.04 7.69 7.62 2pm7A1 THR 513 H 0.01 0.56 -0.34 -0.55 8.28 7.96 2pm7A1 THR 513 HA 0.01 -0.02 0.39 -0.75 4.39 4.01 2pm7A1 THR 513 HB 0.01 0.12 0.17 -0.04 4.32 4.57 2pm7A1 THR 513 HG23 0.00 -0.03 -0.10 -0.04 1.22 1.06 2pm7A1 ILE 514 H 0.01 0.60 -0.00 -0.55 8.25 8.31 2pm7A1 ILE 514 HA 0.01 -0.03 0.34 -0.75 4.18 3.74 2pm7A1 ILE 514 HB 0.01 0.07 0.10 -0.04 1.89 2.02 2pm7A1 ILE 514 HG12 0.01 -0.04 -0.09 -0.04 1.49 1.34 2pm7A1 ILE 514 HG13 0.01 0.13 -0.01 -0.04 1.21 1.29 2pm7A1 ILE 514 HG23 0.01 -0.02 -0.18 -0.04 0.93 0.70 2pm7A1 ILE 514 HD13 0.01 0.01 -0.22 -0.04 0.88 0.64 2pm7A1 SER 515 H 0.02 0.82 -0.09 -0.55 8.46 8.66 2pm7A1 SER 515 HA 0.02 -0.01 0.34 -0.75 4.49 4.09 2pm7A1 SER 515 HB2 0.02 0.08 0.06 -0.04 3.95 4.07 2pm7A1 SER 515 HB3 0.03 -0.05 -0.05 -0.04 3.93 3.82 2pm7A1 LYS 516 H 0.01 0.66 -0.13 -0.55 8.42 8.41 2pm7A1 LYS 516 HA 0.01 -0.05 0.36 -0.75 4.32 3.88 2pm7A1 LYS 516 HB2 0.01 0.19 0.16 -0.04 1.87 2.19 2pm7A1 LYS 516 HB3 0.00 -0.08 0.01 -0.04 1.79 1.68 2pm7A1 LYS 516 HG2 0.00 -0.09 0.04 -0.04 1.46 1.37 2pm7A1 LYS 516 HG3 0.00 0.24 0.12 -0.04 1.46 1.79 2pm7A1 LYS 516 HD2 0.00 0.01 -0.05 -0.04 1.69 1.62 2pm7A1 LYS 516 HD3 0.00 -0.04 -0.01 -0.04 1.68 1.59 2pm7A1 LYS 516 HE2 -0.00 -0.03 -0.02 -0.04 2.99 2.90 2pm7A1 LYS 516 HE3 -0.00 -0.01 -0.06 -0.04 2.99 2.88 2pm7A1 ASN 517 H 0.01 0.52 -0.26 -0.55 8.53 8.24 2pm7A1 ASN 517 HA 0.01 -0.02 0.30 -0.75 4.76 4.29 2pm7A1 ASN 517 HB2 0.01 0.16 0.06 -0.04 2.88 3.06 2pm7A1 ASN 517 HB3 0.01 -0.09 -0.10 -0.04 2.79 2.57 2pm7A1 ASN 517 HD21 0.01 -0.04 -0.07 -0.04 7.03 6.88 2pm7A1 ASN 517 HD22 0.01 -0.07 -0.06 -0.04 7.74 7.58 2pm7A1 LEU 518 H 0.01 0.58 -0.20 -0.55 8.37 8.21 2pm7A1 LEU 518 HA 0.01 -0.07 0.27 -0.75 4.35 3.80 2pm7A1 LEU 518 HB2 0.02 0.18 0.22 -0.04 1.64 2.02 2pm7A1 LEU 518 HB3 0.02 -0.04 -0.01 -0.04 1.64 1.57 2pm7A1 LEU 518 HG 0.01 0.23 0.00 -0.04 1.64 1.84 2pm7A1 LEU 518 HD13 0.02 -0.02 -0.08 -0.04 0.93 0.80 2pm7A1 LEU 518 HD23 0.01 -0.03 -0.07 -0.04 0.89 0.76 2pm7A1 VAL 519 H 0.01 0.45 0.01 -0.55 8.24 8.16 2pm7A1 VAL 519 HA 0.01 0.03 0.39 -0.75 4.13 3.80 2pm7A1 VAL 519 HB 0.01 0.07 0.11 -0.04 2.12 2.27 2pm7A1 VAL 519 HG13 0.01 -0.01 -0.11 -0.04 0.97 0.81 2pm7A1 VAL 519 HG23 0.02 0.00 0.04 -0.04 0.95 0.97 2pm7A1 SER 520 H 0.01 0.64 -0.22 -0.55 8.46 8.34 2pm7A1 SER 520 HA 0.01 0.01 0.40 -0.75 4.49 4.15 2pm7A1 SER 520 HB2 0.00 -0.03 0.10 -0.04 3.95 3.98 2pm7A1 SER 520 HB3 0.01 0.07 0.09 -0.04 3.93 4.06 2pm7A1 GLY 521 H 0.01 0.26 -1.36 -0.55 8.43 6.80 2pm7A1 GLY 521 HA2 0.01 0.04 0.35 -0.51 4.01 3.90 2pm7A1 GLY 521 HA3 0.01 -0.04 0.39 -0.51 4.01 3.85 2pm7A1 ASN 522 H 0.01 0.73 -0.37 -0.55 8.53 8.35 2pm7A1 ASN 522 HA 0.01 0.13 0.85 -0.75 4.76 4.99 2pm7A1 ASN 522 HB2 0.01 0.17 -0.02 -0.04 2.88 3.00 2pm7A1 ASN 522 HB3 0.01 -0.05 0.14 -0.04 2.79 2.85 2pm7A1 ASN 522 HD21 0.00 -0.04 0.03 -0.04 7.03 6.98 2pm7A1 ASN 522 HD22 0.00 0.12 0.02 -0.04 7.74 7.84 2pm7A1 ILE 523 H 0.01 0.31 -0.40 -0.55 8.25 7.62 2pm7A1 ILE 523 HA 0.01 0.06 0.20 -0.75 4.18 3.69 2pm7A1 ILE 523 HB 0.00 -0.05 0.02 -0.04 1.89 1.82 2pm7A1 ILE 523 HG12 0.01 0.05 -0.03 -0.04 1.49 1.47 2pm7A1 ILE 523 HG13 0.00 0.05 -0.01 -0.04 1.21 1.21 2pm7A1 ILE 523 HG23 0.00 0.00 -0.17 -0.04 0.93 0.73 2pm7A1 ILE 523 HD13 0.01 0.01 -0.03 -0.04 0.88 0.83 2pm7A1 LYS 524 H 0.01 0.12 -0.34 -0.55 8.42 7.65 2pm7A1 LYS 524 HA 0.01 0.05 0.38 -0.75 4.32 4.00 2pm7A1 LYS 524 HB2 0.01 0.02 0.02 -0.04 1.87 1.87 2pm7A1 LYS 524 HB3 0.01 -0.00 0.09 -0.04 1.79 1.84 2pm7A1 LYS 524 HG2 0.01 0.01 0.01 -0.04 1.46 1.45 2pm7A1 LYS 524 HG3 0.01 -0.04 0.03 -0.04 1.46 1.42 2pm7A1 LYS 524 HD2 0.01 -0.00 -0.02 -0.04 1.69 1.64 2pm7A1 LYS 524 HD3 0.01 0.01 0.02 -0.04 1.68 1.67 2pm7A1 LYS 524 HE2 0.00 0.04 0.03 -0.04 2.99 3.02 2pm7A1 LYS 524 HE3 0.00 -0.01 0.01 -0.04 2.99 2.95 2pm7A1 SER 525 H 0.01 0.29 -0.05 -0.55 8.46 8.17 2pm7A1 SER 525 HA 0.01 0.04 0.47 -0.75 4.49 4.25 2pm7A1 SER 525 HB2 0.01 -0.01 0.10 -0.04 3.95 4.00 2pm7A1 SER 525 HB3 0.01 0.11 0.05 -0.04 3.93 4.06 2pm7A1 ALA 526 H 0.01 0.39 -0.35 -0.55 8.40 7.89 2pm7A1 ALA 526 HA 0.01 0.01 0.33 -0.75 4.34 3.93 2pm7A1 ALA 526 HB3 0.01 0.05 -0.07 -0.04 1.41 1.36 2pm7A1 VAL 527 H 0.01 0.40 -0.27 -0.55 8.24 7.82 2pm7A1 VAL 527 HA 0.01 0.05 0.43 -0.75 4.13 3.87 2pm7A1 VAL 527 HB 0.01 0.13 0.13 -0.04 2.12 2.34 2pm7A1 VAL 527 HG13 0.01 -0.02 -0.03 -0.04 0.97 0.89 2pm7A1 VAL 527 HG23 0.00 0.06 0.03 -0.04 0.95 1.01 2pm7A1 LYS 528 H 0.01 0.25 -0.19 -0.55 8.42 7.93 2pm7A1 LYS 528 HA 0.01 0.03 0.41 -0.75 4.32 4.01 2pm7A1 LYS 528 HB2 0.01 -0.01 0.13 -0.04 1.87 1.96 2pm7A1 LYS 528 HB3 0.01 0.12 0.20 -0.04 1.79 2.07 2pm7A1 LYS 528 HG2 0.01 0.00 -0.24 -0.04 1.46 1.18 2pm7A1 LYS 528 HG3 0.01 -0.01 0.01 -0.04 1.46 1.42 2pm7A1 LYS 528 HD2 0.00 -0.01 -0.04 -0.04 1.69 1.61 2pm7A1 LYS 528 HD3 0.01 -0.03 -0.00 -0.04 1.68 1.62 2pm7A1 LYS 528 HE2 0.00 0.06 0.02 -0.04 2.99 3.03 2pm7A1 LYS 528 HE3 0.00 0.01 -0.10 -0.04 2.99 2.86 2pm7A1 ASN 529 H 0.01 0.56 -0.06 -0.55 8.53 8.49 2pm7A1 ASN 529 HA 0.00 0.01 0.31 -0.75 4.76 4.33 2pm7A1 ASN 529 HB2 0.01 0.11 0.03 -0.04 2.88 2.98 2pm7A1 ASN 529 HB3 0.01 -0.04 -0.04 -0.04 2.79 2.67 2pm7A1 ASN 529 HD21 0.00 -0.06 -0.08 -0.04 7.03 6.85 2pm7A1 ASN 529 HD22 0.01 0.06 -0.17 -0.04 7.74 7.59 2pm7A1 SER 530 H 0.01 0.26 -0.61 -0.55 8.46 7.57 2pm7A1 SER 530 HA 0.01 -0.01 0.48 -0.75 4.49 4.21 2pm7A1 SER 530 HB2 0.01 0.06 0.24 -0.04 3.95 4.21 2pm7A1 SER 530 HB3 0.01 0.24 0.09 -0.04 3.93 4.23 2pm7A1 LEU 531 H 0.01 0.56 0.13 -0.55 8.37 8.52 2pm7A1 LEU 531 HA 0.01 0.03 0.50 -0.75 4.35 4.14 2pm7A1 LEU 531 HB2 0.01 0.06 0.18 -0.04 1.64 1.85 2pm7A1 LEU 531 HB3 0.01 -0.04 0.07 -0.04 1.64 1.64 2pm7A1 LEU 531 HG 0.01 0.14 0.16 -0.04 1.64 1.92 2pm7A1 LEU 531 HD13 0.02 -0.03 -0.03 -0.04 0.93 0.84 2pm7A1 LEU 531 HD23 0.02 -0.02 0.04 -0.04 0.89 0.89 2pm7A1 GLU 532 H 0.00 0.53 -0.23 -0.55 8.60 8.35 2pm7A1 GLU 532 HA -0.00 0.02 0.43 -0.75 4.29 3.98 2pm7A1 GLU 532 HB2 0.00 0.06 0.03 -0.04 2.09 2.15 2pm7A1 GLU 532 HB3 0.00 -0.08 0.18 -0.04 1.99 2.04 2pm7A1 GLU 532 HG2 0.00 -0.03 0.02 -0.04 2.34 2.29 2pm7A1 GLU 532 HG3 0.00 0.07 0.02 -0.04 2.34 2.39 2pm7A1 ASN 533 H 0.00 0.45 -1.37 -0.55 8.53 7.07 2pm7A1 ASN 533 HA 0.00 -0.03 0.49 -0.75 4.76 4.47 2pm7A1 ASN 533 HB2 0.01 0.23 -0.01 -0.04 2.88 3.06 2pm7A1 ASN 533 HB3 0.01 -0.17 0.03 -0.04 2.79 2.62 2pm7A1 ASN 533 HD21 0.00 -0.18 -0.08 -0.04 7.03 6.73 2pm7A1 ASN 533 HD22 0.00 0.76 -0.14 -0.04 7.74 8.32 2pm7A1 ASP 534 H 0.01 0.09 0.07 -0.55 8.40 8.02 2pm7A1 ASP 534 HA 0.02 0.16 0.59 -0.75 4.63 4.64 2pm7A1 ASP 534 HB2 0.01 -0.05 0.20 -0.04 2.71 2.83 2pm7A1 ASP 534 HB3 0.02 0.01 0.24 -0.04 2.70 2.93 2pm7A1 LEU 535 H 0.02 0.88 -0.31 -0.55 8.37 8.41 2pm7A1 LEU 535 HA 0.01 0.19 0.66 -0.75 4.35 4.46 2pm7A1 LEU 535 HB2 0.01 0.11 0.01 -0.04 1.64 1.73 2pm7A1 LEU 535 HB3 0.01 -0.03 -0.08 -0.04 1.64 1.49 2pm7A1 LEU 535 HG 0.01 -0.08 -0.40 -0.04 1.64 1.13 2pm7A1 LEU 535 HD13 0.01 -0.01 -0.13 -0.04 0.93 0.76 2pm7A1 LEU 535 HD23 0.01 0.06 -0.10 -0.04 0.89 0.81 2pm7A1 GLU 538 HA -0.02 -0.02 0.27 -0.75 4.29 3.76 2pm7A1 GLU 538 HB2 -0.00 0.09 -0.81 -0.04 2.09 1.33 2pm7A1 GLU 538 HB3 -0.01 -0.04 -0.16 -0.04 1.99 1.74 2pm7A1 GLU 538 HG2 -0.01 -0.03 -0.13 -0.04 2.34 2.13 2pm7A1 GLU 538 HG3 -0.03 0.01 -0.04 -0.04 2.34 2.24 2pm7A1 ALA 539 H -0.00 0.47 0.18 -0.55 8.40 8.50 2pm7A1 ALA 539 HA -0.00 -0.02 0.27 -0.75 4.34 3.83 2pm7A1 ALA 539 HB3 0.01 0.02 0.07 -0.04 1.41 1.47 2pm7A1 VAL 541 HA -0.03 -0.03 0.24 -0.75 4.13 3.55 2pm7A1 VAL 541 HB -0.03 0.06 0.06 -0.04 2.12 2.16 2pm7A1 VAL 541 HG13 -0.03 -0.01 -0.17 -0.04 0.97 0.72 2pm7A1 VAL 541 HG23 -0.05 -0.00 0.04 -0.04 0.95 0.90 2pm7A1 ILE 542 H -0.01 0.82 -0.56 -0.55 8.25 7.95 2pm7A1 ILE 542 HA -0.01 0.02 0.41 -0.75 4.18 3.85 2pm7A1 ILE 542 HB -0.00 0.10 0.09 -0.04 1.89 2.04 2pm7A1 ILE 542 HG12 -0.00 -0.07 -0.06 -0.04 1.49 1.31 2pm7A1 ILE 542 HG13 -0.01 0.23 -0.06 -0.04 1.21 1.33 2pm7A1 ILE 542 HG23 0.00 -0.04 -0.14 -0.04 0.93 0.71 2pm7A1 ILE 542 HD13 0.00 -0.04 -0.23 -0.04 0.88 0.57 2pm7A1 ALA 543 H -0.01 0.66 0.35 -0.55 8.40 8.85 2pm7A1 ALA 543 HA -0.00 -0.07 0.33 -0.75 4.34 3.84 2pm7A1 ALA 543 HB3 -0.01 0.01 -0.00 -0.04 1.41 1.36 2pm7A1 LEU 544 H -0.02 0.23 -0.73 -0.55 8.37 7.30 2pm7A1 LEU 544 HA -0.02 0.09 0.54 -0.75 4.35 4.22 2pm7A1 LEU 544 HB2 -0.03 -0.05 -0.01 -0.04 1.64 1.50 2pm7A1 LEU 544 HB3 -0.02 0.16 0.03 -0.04 1.64 1.77 2pm7A1 LEU 544 HG -0.02 0.01 0.13 -0.04 1.64 1.72 2pm7A1 LEU 544 HD13 -0.02 -0.01 0.03 -0.04 0.93 0.89 2pm7A1 LEU 544 HD23 -0.03 -0.01 0.01 -0.04 0.89 0.81 2pm7A1 ASP 545 H -0.01 0.31 -0.52 -0.55 8.40 7.63 2pm7A1 ASP 545 HA -0.01 0.17 0.94 -0.75 4.63 4.98 2pm7A1 ASP 545 HB2 -0.01 0.20 0.15 -0.04 2.71 3.01 2pm7A1 ASP 545 HB3 -0.00 -0.12 0.06 -0.04 2.70 2.60 2pm7A1 SER 546 H -0.00 0.17 -0.16 -0.55 8.46 7.92 2pm7A1 SER 546 HA 0.00 0.21 0.88 -0.75 4.49 4.83 2pm7A1 SER 546 HB2 0.00 -0.26 0.20 -0.04 3.95 3.86 2pm7A1 SER 546 HB3 0.00 0.06 -0.01 -0.04 3.93 3.94 2pm7A1 ASN 547 H 0.00 -0.19 0.20 -0.55 8.53 7.99 2pm7A1 ASN 547 HA 0.00 0.29 0.80 -0.75 4.76 5.10 2pm7A1 ASN 547 HB2 0.00 -0.09 0.04 -0.04 2.88 2.80 2pm7A1 ASN 547 HB3 0.00 0.02 0.04 -0.04 2.79 2.82 2pm7A1 ASN 547 HD21 0.00 0.06 -0.05 -0.04 7.03 7.00 2pm7A1 ASN 547 HD22 0.00 -0.06 -0.00 -0.04 7.74 7.64 2pm7A1 ASN 548 H 0.00 -0.08 0.17 -0.55 8.53 8.09 2pm7A1 ASN 548 HA 0.01 0.03 0.40 -0.75 4.76 4.44 2pm7A1 ASN 548 HB2 0.01 0.07 0.18 -0.04 2.88 3.10 2pm7A1 ASN 548 HB3 0.01 0.02 0.17 -0.04 2.79 2.95 2pm7A1 ASN 548 HD21 0.01 0.04 0.01 -0.04 7.03 7.05 2pm7A1 ASN 548 HD22 0.01 0.07 0.05 -0.04 7.74 7.82 2pm7A1 GLU 549 H 0.01 0.12 0.25 -0.55 8.60 8.43 2pm7A1 GLU 549 HA 0.01 0.21 0.38 -0.75 4.29 4.14 2pm7A1 GLU 549 HB2 0.01 0.11 0.15 -0.04 2.09 2.32 2pm7A1 GLU 549 HB3 0.01 -0.13 0.19 -0.04 1.99 2.01 2pm7A1 GLU 549 HG2 0.02 -0.04 -0.43 -0.04 2.34 1.85 2pm7A1 GLU 549 HG3 0.01 0.09 -0.06 -0.04 2.34 2.34 2pm7A1 ARG 550 H 0.01 0.12 0.01 -0.55 8.46 8.04 2pm7A1 ARG 550 HA 0.02 0.11 0.31 -0.75 4.34 4.02 2pm7A1 ARG 550 HB2 0.01 -0.06 0.04 -0.04 1.90 1.85 2pm7A1 ARG 550 HB3 0.02 0.06 0.00 -0.04 1.80 1.84 2pm7A1 ARG 550 HG2 0.01 0.05 0.06 -0.04 1.67 1.75 2pm7A1 ARG 550 HG3 0.01 -0.04 0.08 -0.04 1.67 1.68 2pm7A1 ARG 550 HD2 0.01 -0.01 0.01 -0.04 3.22 3.19 2pm7A1 ARG 550 HD3 0.01 0.03 0.01 -0.04 3.22 3.23 2pm7A1 LEU 551 H 0.01 0.05 -0.44 -0.55 8.37 7.44 2pm7A1 LEU 551 HA 0.02 0.07 0.56 -0.75 4.35 4.23 2pm7A1 LEU 551 HB2 0.01 -0.05 0.07 -0.04 1.64 1.63 2pm7A1 LEU 551 HB3 0.01 0.08 0.10 -0.04 1.64 1.79 2pm7A1 LEU 551 HG 0.01 -0.00 0.03 -0.04 1.64 1.63 2pm7A1 LEU 551 HD13 0.01 0.00 -0.05 -0.04 0.93 0.85 2pm7A1 LEU 551 HD23 0.01 0.02 -0.33 -0.04 0.89 0.54 2pm7A1 LYS 552 H 0.01 0.74 0.06 -0.55 8.42 8.68 2pm7A1 LYS 552 HA 0.01 -0.01 0.34 -0.75 4.32 3.91 2pm7A1 LYS 552 HB2 0.01 -0.02 -0.08 -0.04 1.87 1.73 2pm7A1 LYS 552 HB3 0.01 -0.05 0.07 -0.04 1.79 1.78 2pm7A1 LYS 552 HG2 0.01 -0.07 0.09 -0.04 1.46 1.45 2pm7A1 LYS 552 HG3 -0.00 0.11 0.04 -0.04 1.46 1.57 2pm7A1 LYS 552 HD2 0.00 0.04 -0.15 -0.04 1.69 1.54 2pm7A1 LYS 552 HD3 0.01 -0.05 -0.07 -0.04 1.68 1.52 2pm7A1 LYS 552 HE2 0.00 -0.05 -0.01 -0.04 2.99 2.89 2pm7A1 LYS 552 HE3 -0.00 0.04 -0.01 -0.04 2.99 2.97 2pm7A1 GLU 553 H 0.02 0.00 -1.25 -0.55 8.60 6.83 2pm7A1 GLU 553 HA 0.05 0.13 0.95 -0.75 4.29 4.67 2pm7A1 GLU 553 HB2 0.03 0.03 -0.17 -0.04 2.09 1.94 2pm7A1 GLU 553 HB3 0.03 0.02 -0.07 -0.04 1.99 1.93 2pm7A1 GLU 553 HG2 0.06 -0.02 -0.16 -0.04 2.34 2.18 2pm7A1 GLU 553 HG3 0.08 -0.09 0.09 -0.04 2.34 2.39 2pm7A1 SER 554 H 0.03 0.44 0.23 -0.55 8.46 8.61 2pm7A1 SER 554 HA 0.05 0.02 0.44 -0.75 4.49 4.24 2pm7A1 SER 554 HB2 0.03 0.11 0.22 -0.04 3.95 4.27 2pm7A1 SER 554 HB3 0.02 0.02 0.17 -0.04 3.93 4.10 2pm7A1 VAL 555 H 0.03 0.27 -0.40 -0.55 8.24 7.59 2pm7A1 VAL 555 HA 0.03 0.09 0.45 -0.75 4.13 3.95 2pm7A1 VAL 555 HB 0.00 0.04 -0.06 -0.04 2.12 2.05 2pm7A1 VAL 555 HG13 -0.01 -0.00 -0.19 -0.04 0.97 0.73 2pm7A1 VAL 555 HG23 0.01 0.07 0.01 -0.04 0.95 1.00 2pm7A1 LYS 556 H 0.04 0.21 -0.18 -0.55 8.42 7.92 2pm7A1 LYS 556 HA -0.10 0.03 0.36 -0.75 4.32 3.86 2pm7A1 LYS 556 HB2 0.17 0.10 0.16 -0.04 1.87 2.26 2pm7A1 LYS 556 HB3 0.28 -0.03 0.01 -0.04 1.79 2.01 2pm7A1 LYS 556 HG2 -0.01 -0.03 0.03 -0.04 1.46 1.41 2pm7A1 LYS 556 HG3 0.05 0.11 0.13 -0.04 1.46 1.70 2pm7A1 LYS 556 HD2 0.17 -0.05 0.01 -0.04 1.69 1.78 2pm7A1 LYS 556 HD3 0.06 0.07 0.04 -0.04 1.68 1.80 2pm7A1 LYS 556 HE2 0.08 0.04 0.08 -0.04 2.99 3.15 2pm7A1 LYS 556 HE3 0.19 -0.04 0.02 -0.04 2.99 3.11 2pm7A1 ASN 557 H 0.15 0.52 -0.14 -0.55 8.53 8.51 2pm7A1 ASN 557 HA 0.38 -0.01 0.32 -0.75 4.76 4.70 2pm7A1 ASN 557 HB2 0.10 0.11 0.04 -0.04 2.88 3.09 2pm7A1 ASN 557 HB3 0.13 -0.02 -0.00 -0.04 2.79 2.86 2pm7A1 ASN 557 HD21 0.14 0.02 -0.02 -0.04 7.03 7.13 2pm7A1 ASN 557 HD22 0.25 -0.03 0.01 -0.04 7.74 7.93 2pm7A1 ALA 558 H 0.07 0.29 -0.66 -0.55 8.40 7.55 2pm7A1 ALA 558 HA 0.03 0.02 0.49 -0.75 4.34 4.13 2pm7A1 ALA 558 HB3 0.03 0.06 0.14 -0.04 1.41 1.60 2pm7A1 TYR 559 H 0.07 0.49 -0.05 -0.55 8.29 8.25 2pm7A1 TYR 559 HA 0.05 0.03 0.40 -0.75 4.56 4.29 2pm7A1 TYR 559 HB2 -0.17 0.01 0.09 -0.04 3.06 2.94 2pm7A1 TYR 559 HB3 -0.56 0.18 0.29 -0.04 2.98 2.84 2pm7A1 TYR 559 HD2 -0.79 0.02 -0.04 -0.04 7.15 6.31 2pm7A1 TYR 559 HE2 -0.19 0.00 -0.06 -0.04 6.85 6.56 2pm7A1 PHE 560 H -0.23 0.60 0.05 -0.55 8.34 8.21 2pm7A1 PHE 560 HA -0.23 -0.18 0.40 -0.75 4.62 3.87 2pm7A1 PHE 560 HB2 0.11 0.12 0.02 -0.04 3.15 3.37 2pm7A1 PHE 560 HB3 -0.11 -0.03 0.04 -0.04 3.06 2.92 2pm7A1 PHE 560 HD2 0.21 -0.04 -0.13 -0.04 7.28 7.27 2pm7A1 PHE 560 HE2 0.26 -0.00 -0.06 -0.04 7.38 7.53 2pm7A1 PHE 560 HZ 0.16 0.03 -0.15 -0.04 7.32 7.33 2pm7A1 ALA 561 H 0.05 0.32 -0.70 -0.55 8.40 7.51 2pm7A1 ALA 561 HA -0.03 -0.02 0.35 -0.75 4.34 3.88 2pm7A1 ALA 561 HB3 -0.02 0.12 0.14 -0.04 1.41 1.61 2pm7A1 LYS 562 H -0.23 0.44 -0.25 -0.55 8.42 7.83 2pm7A1 LYS 562 HA -0.20 0.19 0.94 -0.75 4.32 4.50 2pm7A1 LYS 562 HB2 -0.32 -0.05 0.17 -0.04 1.87 1.63 2pm7A1 LYS 562 HB3 -0.22 0.01 -0.09 -0.04 1.79 1.44 2pm7A1 LYS 562 HG2 -0.40 0.18 0.05 -0.04 1.46 1.24 2pm7A1 LYS 562 HG3 -1.27 -0.03 -0.17 -0.04 1.46 -0.04 2pm7A1 LYS 562 HD2 -0.36 -0.05 0.01 -0.04 1.69 1.25 2pm7A1 LYS 562 HD3 -0.21 -0.00 -0.00 -0.04 1.68 1.43 2pm7A1 LYS 562 HE2 -0.13 0.05 -0.02 -0.04 2.99 2.85 2pm7A1 LYS 562 HE3 -0.33 -0.04 -0.03 -0.04 2.99 2.55 2pm7A1 TYR 563 H -0.22 0.18 0.02 -0.55 8.29 7.72 2pm7A1 TYR 563 HA -0.14 0.22 1.04 -0.75 4.56 4.92 2pm7A1 TYR 563 HB2 -0.96 0.13 -0.02 -0.04 3.06 2.16 2pm7A1 TYR 563 HB3 -0.39 -0.09 -0.06 -0.04 2.98 2.39 2pm7A1 TYR 563 HD2 -0.22 -0.01 0.04 -0.04 7.15 6.91 2pm7A1 TYR 563 HE2 0.03 -0.01 -0.02 -0.04 6.85 6.81 2pm7A1 GLY 564 H -0.08 0.28 0.17 -0.55 8.43 8.25 2pm7A1 GLY 564 HA2 0.06 -0.09 0.17 -0.51 4.01 3.65 2pm7A1 GLY 564 HA3 -0.02 0.13 0.27 -0.51 4.01 3.87 2pm7A1 SER 565 H -0.05 0.06 -0.79 -0.55 8.46 7.14 2pm7A1 SER 565 HA -0.02 0.18 0.76 -0.75 4.49 4.65 2pm7A1 SER 565 HB2 -0.03 0.00 0.04 -0.04 3.95 3.91 2pm7A1 SER 565 HB3 -0.06 0.02 -0.07 -0.04 3.93 3.77 2pm7A1 LYS 566 H 0.02 0.58 -0.08 -0.55 8.42 8.39 2pm7A1 LYS 566 HA 0.01 0.17 0.82 -0.75 4.32 4.57 2pm7A1 LYS 566 HB2 0.10 0.05 0.14 -0.04 1.87 2.12 2pm7A1 LYS 566 HB3 0.05 -0.04 0.20 -0.04 1.79 1.96 2pm7A1 LYS 566 HG2 -0.00 0.01 -0.08 -0.04 1.46 1.34 2pm7A1 LYS 566 HG3 -0.02 -0.13 -0.22 -0.04 1.46 1.05 2pm7A1 LYS 566 HD2 -0.02 0.20 0.14 -0.04 1.69 1.97 2pm7A1 LYS 566 HD3 0.02 -0.07 0.05 -0.04 1.68 1.64 2pm7A1 LYS 566 HE2 -0.04 -0.06 -0.01 -0.04 2.99 2.84 2pm7A1 LYS 566 HE3 -0.09 -0.01 -0.02 -0.04 2.99 2.83 2pm7A1 SER 567 H 0.03 0.26 -0.37 -0.55 8.46 7.82 2pm7A1 SER 567 HA 0.02 0.08 0.53 -0.75 4.49 4.36 2pm7A1 SER 567 HB2 0.03 0.25 -0.08 -0.04 3.95 4.11 2pm7A1 SER 567 HB3 0.05 0.01 -0.06 -0.04 3.93 3.89 2pm7A1 SER 568 H 0.01 0.22 0.11 -0.55 8.46 8.26 2pm7A1 SER 568 HA 0.03 0.17 0.44 -0.75 4.49 4.38 2pm7A1 SER 568 HB2 -0.00 -0.01 0.13 -0.04 3.95 4.03 2pm7A1 SER 568 HB3 -0.00 0.04 -0.03 -0.04 3.93 3.90 2pm7A1 LEU 569 H 0.02 0.11 -0.11 -0.55 8.37 7.84 2pm7A1 LEU 569 HA 0.02 0.12 0.42 -0.75 4.35 4.16 2pm7A1 LEU 569 HB2 -0.01 0.04 0.07 -0.04 1.64 1.70 2pm7A1 LEU 569 HB3 0.03 -0.02 0.02 -0.04 1.64 1.64 2pm7A1 LEU 569 HG 0.07 -0.00 -0.27 -0.04 1.64 1.40 2pm7A1 LEU 569 HD13 -0.01 0.01 0.02 -0.04 0.93 0.91 2pm7A1 LEU 569 HD23 0.00 0.02 -0.05 -0.04 0.89 0.82 2pm7A1 SER 570 H 0.09 0.10 -0.41 -0.55 8.46 7.69 2pm7A1 SER 570 HA 0.32 0.07 0.39 -0.75 4.49 4.52 2pm7A1 SER 570 HB2 0.13 -0.01 -0.07 -0.04 3.95 3.96 2pm7A1 SER 570 HB3 0.09 0.28 -0.01 -0.04 3.93 4.25 2pm7A1 ARG 571 H 0.09 0.50 -0.05 -0.55 8.46 8.45 2pm7A1 ARG 571 HA 0.08 -0.02 0.42 -0.75 4.34 4.06 2pm7A1 ARG 571 HB2 0.03 0.43 0.24 -0.04 1.90 2.55 2pm7A1 ARG 571 HB3 0.05 0.04 0.14 -0.04 1.80 1.99 2pm7A1 ARG 571 HG2 0.07 -0.06 -0.17 -0.04 1.67 1.47 2pm7A1 ARG 571 HG3 0.02 -0.05 0.04 -0.04 1.67 1.64 2pm7A1 ARG 571 HD2 0.01 0.07 -0.00 -0.04 3.22 3.25 2pm7A1 ARG 571 HD3 0.03 -0.03 -0.05 -0.04 3.22 3.14 2pm7A1 ILE 572 H 0.11 0.31 -0.47 -0.55 8.25 7.65 2pm7A1 ILE 572 HA 0.13 0.04 0.50 -0.75 4.18 4.09 2pm7A1 ILE 572 HB 0.08 0.07 0.17 -0.04 1.89 2.17 2pm7A1 ILE 572 HG12 0.08 0.11 0.01 -0.04 1.49 1.65 2pm7A1 ILE 572 HG13 0.01 -0.05 -0.03 -0.04 1.21 1.10 2pm7A1 ILE 572 HG23 0.21 -0.01 -0.16 -0.04 0.93 0.93 2pm7A1 ILE 572 HD13 0.33 -0.01 -0.01 -0.04 0.88 1.15 2pm7A1 LEU 573 H 0.18 0.51 -0.07 -0.55 8.37 8.44 2pm7A1 LEU 573 HA 0.12 0.04 0.46 -0.75 4.35 4.22 2pm7A1 LEU 573 HB2 0.46 0.11 0.22 -0.04 1.64 2.39 2pm7A1 LEU 573 HB3 0.37 -0.04 0.01 -0.04 1.64 1.94 2pm7A1 LEU 573 HG 0.15 0.17 0.07 -0.04 1.64 1.99 2pm7A1 LEU 573 HD13 0.15 -0.03 -0.04 -0.04 0.93 0.97 2pm7A1 LEU 573 HD23 0.09 -0.01 0.00 -0.04 0.89 0.94 2pm7A1 TYR 574 H 0.13 0.58 -0.13 -0.55 8.29 8.32 2pm7A1 TYR 574 HA -1.29 -0.03 0.33 -0.75 4.56 2.81 2pm7A1 TYR 574 HB2 -0.53 -0.03 0.10 -0.04 3.06 2.55 2pm7A1 TYR 574 HB3 -0.20 0.24 0.09 -0.04 2.98 3.06 2pm7A1 TYR 574 HD2 -0.66 0.00 -0.07 -0.04 7.15 6.38 2pm7A1 TYR 574 HE2 -0.07 -0.01 -0.06 -0.04 6.85 6.67 2pm7A1 SER 575 H 0.00 0.29 -0.51 -0.55 8.46 7.70 2pm7A1 SER 575 HA -0.24 0.02 0.44 -0.75 4.49 3.96 2pm7A1 SER 575 HB2 0.02 0.14 0.13 -0.04 3.95 4.20 2pm7A1 SER 575 HB3 -0.04 0.13 0.01 -0.04 3.93 3.98 2pm7A1 ILE 576 H -0.03 0.39 -0.06 -0.55 8.25 8.00 2pm7A1 ILE 576 HA -0.07 0.07 0.52 -0.75 4.18 3.94 2pm7A1 ILE 576 HB 0.02 0.02 0.15 -0.04 1.89 2.04 2pm7A1 ILE 576 HG12 0.06 0.26 0.10 -0.04 1.49 1.87 2pm7A1 ILE 576 HG13 0.07 -0.07 -0.00 -0.04 1.21 1.17 2pm7A1 ILE 576 HG23 -0.01 -0.01 -0.03 -0.04 0.93 0.84 2pm7A1 ILE 576 HD13 -0.04 -0.00 -0.01 -0.04 0.88 0.78 2pm7A1 SER 577 H -0.10 0.64 -0.13 -0.55 8.46 8.32 2pm7A1 SER 577 HA -0.02 0.04 0.44 -0.75 4.49 4.20 2pm7A1 SER 577 HB2 0.08 0.02 0.05 -0.04 3.95 4.05 2pm7A1 SER 577 HB3 -0.23 0.01 0.16 -0.04 3.93 3.82 2pm7A1 LYS 578 H -0.34 0.43 -0.02 -0.55 8.42 7.93 2pm7A1 LYS 578 HA -0.13 0.03 0.34 -0.75 4.32 3.82 2pm7A1 LYS 578 HB2 -0.43 -0.05 0.11 -0.04 1.87 1.46 2pm7A1 LYS 578 HB3 -0.43 0.04 0.05 -0.04 1.79 1.41 2pm7A1 LYS 578 HG2 -0.13 0.05 0.14 -0.04 1.46 1.47 2pm7A1 LYS 578 HG3 -0.12 -0.04 0.06 -0.04 1.46 1.32 2pm7A1 LYS 578 HD2 -0.18 -0.03 0.00 -0.04 1.69 1.44 2pm7A1 LYS 578 HD3 -0.25 -0.01 -0.01 -0.04 1.68 1.37 2pm7A1 LYS 578 HE2 -0.05 0.02 0.01 -0.04 2.99 2.93 2pm7A1 LYS 578 HE3 -0.03 -0.02 0.00 -0.04 2.99 2.90 2pm7A1 ARG 579 H -0.12 0.35 -1.26 -0.55 8.46 6.88 2pm7A1 ARG 579 HA -0.12 0.07 0.32 -0.75 4.34 3.86 2pm7A1 ARG 579 HB2 -0.07 -0.01 0.08 -0.04 1.90 1.86 2pm7A1 ARG 579 HB3 -0.10 -0.03 0.13 -0.04 1.80 1.76 2pm7A1 ARG 579 HG2 -0.06 -0.01 0.08 -0.04 1.67 1.64 2pm7A1 ARG 579 HG3 -0.07 0.28 0.07 -0.04 1.67 1.91 2pm7A1 ARG 579 HD2 -0.04 -0.04 -0.08 -0.04 3.22 3.02 2pm7A1 ARG 579 HD3 -0.03 -0.05 0.02 -0.04 3.22 3.12 2pm7A1 GLU 580 H -0.13 0.65 0.15 -0.55 8.60 8.71 2pm7A1 GLU 580 HA -0.09 0.07 0.64 -0.75 4.29 4.16 2pm7A1 GLU 580 HB2 -0.11 -0.01 -0.12 -0.04 2.09 1.81 2pm7A1 GLU 580 HB3 -0.04 -0.26 0.05 -0.04 1.99 1.70 2pm7A1 GLU 580 HG2 -0.04 -0.02 0.12 -0.04 2.34 2.36 2pm7A1 GLU 580 HG3 -0.10 0.51 -0.64 -0.04 2.34 2.07 2pm7A1 VAL 581 H -0.02 -0.04 0.21 -0.55 8.24 7.85 2pm7A1 VAL 581 HA -0.05 0.22 0.93 -0.75 4.13 4.47 2pm7A1 VAL 581 HB -0.03 -0.04 -0.01 -0.04 2.12 2.00 2pm7A1 VAL 581 HG13 -0.15 0.03 -0.26 -0.04 0.97 0.55 2pm7A1 VAL 581 HG23 0.07 0.02 -0.05 -0.04 0.95 0.95 2pm7A1 ASP 582 H 0.03 0.03 0.16 -0.55 8.40 8.08 2pm7A1 ASP 582 HA 0.03 0.09 0.29 -0.75 4.63 4.29 2pm7A1 ASP 582 HB2 0.03 -0.02 0.06 -0.04 2.71 2.74 2pm7A1 ASP 582 HB3 0.03 0.07 -0.02 -0.04 2.70 2.73 2pm7A1 ASP 583 H 0.02 0.02 -0.57 -0.55 8.40 7.33 2pm7A1 ASP 583 HA 0.04 0.11 0.41 -0.75 4.63 4.43 2pm7A1 ASP 583 HB2 0.06 0.00 -0.02 -0.04 2.71 2.71 2pm7A1 ASP 583 HB3 0.05 -0.01 -0.02 -0.04 2.70 2.68 2pm7A1 LEU 584 H 0.03 0.15 -0.03 -0.55 8.37 7.97 2pm7A1 LEU 584 HA 0.07 -0.01 0.44 -0.75 4.35 4.10 2pm7A1 LEU 584 HB2 -0.00 0.06 0.25 -0.04 1.64 1.90 2pm7A1 LEU 584 HB3 0.03 0.02 0.01 -0.04 1.64 1.66 2pm7A1 LEU 584 HG 0.17 -0.03 0.02 -0.04 1.64 1.76 2pm7A1 LEU 584 HD13 0.06 -0.01 -0.02 -0.04 0.93 0.92 2pm7A1 LEU 584 HD23 -0.05 0.03 0.04 -0.04 0.89 0.88 2pm7A1 VAL 585 H 0.02 0.37 -0.03 -0.55 8.24 8.05 2pm7A1 VAL 585 HA 0.04 0.02 0.24 -0.75 4.13 3.67 2pm7A1 VAL 585 HB 0.03 -0.02 -0.16 -0.04 2.12 1.93 2pm7A1 VAL 585 HG13 0.03 0.00 -0.19 -0.04 0.97 0.78 2pm7A1 VAL 585 HG23 0.02 0.02 -0.06 -0.04 0.95 0.88 2pm7A1 GLU 586 H 0.03 0.19 -0.74 -0.55 8.60 7.53 2pm7A1 GLU 586 HA 0.03 0.18 0.90 -0.75 4.29 4.64 2pm7A1 GLU 586 HB2 0.03 -0.09 -0.01 -0.04 2.09 1.97 2pm7A1 GLU 586 HB3 0.03 0.16 0.10 -0.04 1.99 2.24 2pm7A1 GLU 586 HG2 0.02 -0.08 -0.01 -0.04 2.34 2.23 2pm7A1 GLU 586 HG3 0.02 -0.01 -0.07 -0.04 2.34 2.24 2pm7A1 ASN 587 H 0.04 0.41 0.12 -0.55 8.53 8.55 2pm7A1 ASN 587 HA 0.03 0.21 1.06 -0.75 4.76 5.30 2pm7A1 ASN 587 HB2 0.04 0.06 0.04 -0.04 2.88 2.97 2pm7A1 ASN 587 HB3 0.03 -0.10 0.08 -0.04 2.79 2.75 2pm7A1 ASN 587 HD21 0.03 -0.06 -0.07 -0.04 7.03 6.88 2pm7A1 ASN 587 HD22 0.03 0.09 0.07 -0.04 7.74 7.90 2pm7A1 LEU 588 H 0.06 0.61 0.27 -0.55 8.37 8.75 2pm7A1 LEU 588 HA 0.06 -0.04 0.50 -0.75 4.35 4.12 2pm7A1 LEU 588 HB2 0.12 -0.10 0.12 -0.04 1.64 1.74 2pm7A1 LEU 588 HB3 0.11 0.12 -0.02 -0.04 1.64 1.81 2pm7A1 LEU 588 HG 0.13 0.12 -0.21 -0.04 1.64 1.64 2pm7A1 LEU 588 HD13 0.07 -0.07 0.06 -0.04 0.93 0.94 2pm7A1 LEU 588 HD23 0.34 -0.02 -0.06 -0.04 0.89 1.11 2pm7A1 ASP 589 H 0.05 0.05 0.13 -0.55 8.40 8.08 2pm7A1 ASP 589 HA 0.04 0.10 0.35 -0.75 4.63 4.36 2pm7A1 ASP 589 HB2 0.03 0.06 0.15 -0.04 2.71 2.91 2pm7A1 ASP 589 HB3 0.05 -0.06 0.06 -0.04 2.70 2.71 2pm7A1 VAL 590 H 0.01 0.19 0.15 -0.55 8.24 8.05 2pm7A1 VAL 590 HA 0.03 0.16 0.28 -0.75 4.13 3.86 2pm7A1 VAL 590 HB -0.11 -0.06 0.07 -0.04 2.12 1.98 2pm7A1 VAL 590 HG13 -0.44 0.01 -0.10 -0.04 0.97 0.39 2pm7A1 VAL 590 HG23 -0.05 0.04 0.06 -0.04 0.95 0.97 2pm7A1 SER 591 H 0.05 0.04 -0.40 -0.55 8.46 7.60 2pm7A1 SER 591 HA 0.17 0.07 0.32 -0.75 4.49 4.30 2pm7A1 SER 591 HB2 0.07 -0.01 -0.07 -0.04 3.95 3.91 2pm7A1 SER 591 HB3 0.10 0.02 0.06 -0.04 3.93 4.07 2pm7A1 GLN 592 H 0.12 0.72 -0.66 -0.55 8.47 8.11 2pm7A1 GLN 592 HA 0.08 0.15 0.79 -0.75 4.36 4.63 2pm7A1 GLN 592 HB2 0.05 -0.04 -0.08 -0.04 2.15 2.04 2pm7A1 GLN 592 HB3 0.12 0.13 0.03 -0.04 2.02 2.26 2pm7A1 GLN 592 HG2 -0.06 -0.01 0.00 -0.04 2.40 2.30 2pm7A1 GLN 592 HG3 0.29 -0.14 0.11 -0.04 2.39 2.61 2pm7A1 GLN 592 HE21 -0.16 0.02 -0.03 -0.04 6.97 6.76 2pm7A1 GLN 592 HE22 -0.28 -0.02 -0.03 -0.04 7.69 7.32 2pm7A1 TRP 593 H 0.38 0.40 -0.25 -0.55 7.97 7.94 2pm7A1 TRP 593 HA 0.01 0.08 0.41 -0.75 4.62 4.37 2pm7A1 TRP 593 HB2 -0.05 -0.01 -0.02 -0.04 3.23 3.11 2pm7A1 TRP 593 HB3 -0.08 0.24 0.13 -0.04 3.23 3.48 2pm7A1 TRP 593 HD1 -0.02 0.12 0.02 -0.04 7.22 7.30 2pm7A1 TRP 593 HE1 0.03 0.01 -0.01 -0.04 10.20 10.19 2pm7A1 TRP 593 HE3 -0.06 -0.04 -0.24 -0.04 7.59 7.21 2pm7A1 TRP 593 HZ2 -0.03 0.03 0.01 -0.04 7.44 7.41 2pm7A1 TRP 593 HZ3 -0.07 -0.00 -0.09 -0.04 7.13 6.93 2pm7A1 TRP 593 HH2 -0.08 0.11 -0.01 -0.04 7.19 7.17 2pm7A1 LYS 594 H -1.29 0.19 -0.09 -0.55 8.42 6.68 2pm7A1 LYS 594 HA -1.05 0.11 0.32 -0.75 4.32 2.95 2pm7A1 LYS 594 HB2 -0.57 -0.06 -0.03 -0.04 1.87 1.16 2pm7A1 LYS 594 HB3 -0.84 0.13 -0.03 -0.04 1.79 1.01 2pm7A1 LYS 594 HG2 -2.07 0.05 0.05 -0.04 1.46 -0.56 2pm7A1 LYS 594 HG3 -1.82 -0.10 0.04 -0.04 1.46 -0.46 2pm7A1 LYS 594 HD2 -0.38 -0.13 -0.01 -0.04 1.69 1.12 2pm7A1 LYS 594 HD3 -0.62 0.29 -0.10 -0.04 1.68 1.21 2pm7A1 LYS 594 HE2 -0.19 0.28 0.11 -0.04 2.99 3.15 2pm7A1 LYS 594 HE3 0.07 -0.16 0.01 -0.04 2.99 2.87 2pm7A1 PHE 595 H 0.03 0.18 -0.94 -0.55 8.34 7.06 2pm7A1 PHE 595 HA 0.10 0.13 0.64 -0.75 4.62 4.74 2pm7A1 PHE 595 HB2 0.07 -0.03 -0.02 -0.04 3.15 3.12 2pm7A1 PHE 595 HB3 0.01 0.27 0.06 -0.04 3.06 3.36 2pm7A1 PHE 595 HD2 0.03 0.05 -0.06 -0.04 7.28 7.25 2pm7A1 PHE 595 HE2 -0.00 -0.01 -0.05 -0.04 7.38 7.28 2pm7A1 PHE 595 HZ -0.00 0.01 -0.04 -0.04 7.32 7.24 2pm7A1 ILE 596 H 0.05 0.35 0.05 -0.55 8.25 8.15 2pm7A1 ILE 596 HA -0.24 -0.01 0.41 -0.75 4.18 3.59 2pm7A1 ILE 596 HB 0.09 0.12 0.08 -0.04 1.89 2.14 2pm7A1 ILE 596 HG12 0.09 -0.14 -0.14 -0.04 1.49 1.26 2pm7A1 ILE 596 HG13 0.18 0.21 0.00 -0.04 1.21 1.56 2pm7A1 ILE 596 HG23 0.02 -0.01 -0.08 -0.04 0.93 0.82 2pm7A1 ILE 596 HD13 0.11 -0.00 -0.29 -0.04 0.88 0.65 2pm7A1 SER 597 H -0.12 0.28 -0.49 -0.55 8.46 7.59 2pm7A1 SER 597 HA -0.01 0.11 0.55 -0.75 4.49 4.40 2pm7A1 SER 597 HB2 0.03 0.00 -0.04 -0.04 3.95 3.91 2pm7A1 SER 597 HB3 -0.21 0.12 0.05 -0.04 3.93 3.85 2pm7A1 LYS 598 H -0.16 0.32 -0.17 -0.55 8.42 7.86 2pm7A1 LYS 598 HA -0.08 0.07 0.42 -0.75 4.32 3.98 2pm7A1 LYS 598 HB2 -0.04 0.07 0.15 -0.04 1.87 2.01 2pm7A1 LYS 598 HB3 0.01 -0.05 0.05 -0.04 1.79 1.76 2pm7A1 LYS 598 HG2 -0.18 0.24 0.19 -0.04 1.46 1.67 2pm7A1 LYS 598 HG3 0.22 -0.07 0.08 -0.04 1.46 1.66 2pm7A1 LYS 598 HD2 0.03 -0.08 0.04 -0.04 1.69 1.64 2pm7A1 LYS 598 HD3 -0.08 -0.05 0.03 -0.04 1.68 1.54 2pm7A1 LYS 598 HE2 -0.35 0.47 0.16 -0.04 2.99 3.23 2pm7A1 LYS 598 HE3 -0.19 -0.13 0.06 -0.04 2.99 2.68 2pm7A1 ALA 599 H -0.27 0.31 -0.53 -0.55 8.40 7.37 2pm7A1 ALA 599 HA -0.20 0.07 0.42 -0.75 4.34 3.88 2pm7A1 ALA 599 HB3 -0.37 0.04 0.04 -0.04 1.41 1.07 2pm7A1 ILE 600 H -0.09 0.39 -0.53 -0.55 8.25 7.47 2pm7A1 ILE 600 HA -0.04 0.06 0.66 -0.75 4.18 4.11 2pm7A1 ILE 600 HB 0.01 0.16 0.15 -0.04 1.89 2.17 2pm7A1 ILE 600 HG12 0.05 -0.12 -0.04 -0.04 1.49 1.33 2pm7A1 ILE 600 HG13 -0.03 0.16 0.01 -0.04 1.21 1.31 2pm7A1 ILE 600 HG23 0.14 0.02 -0.03 -0.04 0.93 1.02 2pm7A1 ILE 600 HD13 0.04 -0.01 -0.00 -0.04 0.88 0.87 2pm7A1 GLN 601 H -0.03 0.40 -0.00 -0.55 8.47 8.29 2pm7A1 GLN 601 HA 0.02 0.09 0.35 -0.75 4.36 4.07 2pm7A1 GLN 601 HB2 -0.03 0.04 0.07 -0.04 2.15 2.20 2pm7A1 GLN 601 HB3 -0.01 -0.03 0.03 -0.04 2.02 1.98 2pm7A1 GLN 601 HG2 -0.01 0.11 0.05 -0.04 2.40 2.50 2pm7A1 GLN 601 HG3 -0.02 -0.01 -0.03 -0.04 2.39 2.29 2pm7A1 GLN 601 HE21 0.01 -0.00 -0.00 -0.04 6.97 6.94 2pm7A1 GLN 601 HE22 0.00 -0.02 0.00 -0.04 7.69 7.63 2pm7A1 ASN 602 H -0.07 0.19 -0.52 -0.55 8.53 7.58 2pm7A1 ASN 602 HA -0.04 0.08 0.50 -0.75 4.76 4.55 2pm7A1 ASN 602 HB2 -0.06 0.14 0.09 -0.04 2.88 3.02 2pm7A1 ASN 602 HB3 -0.10 -0.03 0.06 -0.04 2.79 2.68 2pm7A1 ASN 602 HD21 -0.05 -0.04 -0.06 -0.04 7.03 6.84 2pm7A1 ASN 602 HD22 -0.09 0.03 -0.11 -0.04 7.74 7.53 2pm7A1 LEU 603 H -0.16 0.23 -0.32 -0.55 8.37 7.57 2pm7A1 LEU 603 HA -0.19 0.13 0.66 -0.75 4.35 4.20 2pm7A1 LEU 603 HB2 -0.27 0.02 0.04 -0.04 1.64 1.39 2pm7A1 LEU 603 HB3 -0.54 0.05 0.05 -0.04 1.64 1.17 2pm7A1 LEU 603 HG -0.85 -0.03 -0.08 -0.04 1.64 0.64 2pm7A1 LEU 603 HD13 -0.20 0.02 0.04 -0.04 0.93 0.75 2pm7A1 LEU 603 HD23 -0.36 0.04 -0.32 -0.04 0.89 0.21 2pm7A1 TYR 604 H -0.04 0.35 -0.41 -0.55 8.29 7.64 2pm7A1 TYR 604 HA -0.02 0.12 0.81 -0.75 4.56 4.72 2pm7A1 TYR 604 HB2 -0.02 0.18 0.13 -0.04 3.06 3.31 2pm7A1 TYR 604 HB3 -0.01 -0.05 0.16 -0.04 2.98 3.03 2pm7A1 TYR 604 HD2 -0.02 0.05 -0.02 -0.04 7.15 7.12 2pm7A1 TYR 604 HE2 -0.02 -0.03 -0.04 -0.04 6.85 6.72 2pm7A1 PRO 605 HA 0.04 0.16 0.59 -0.51 4.44 4.72 2pm7A1 PRO 605 HB2 0.01 -0.05 0.01 -0.04 2.28 2.22 2pm7A1 PRO 605 HB3 0.01 0.21 0.10 -0.04 2.02 2.30 2pm7A1 PRO 605 HG2 0.02 -0.08 -0.01 -0.04 2.03 1.92 2pm7A1 PRO 605 HG3 -0.00 0.09 0.00 -0.04 2.03 2.08 2pm7A1 PRO 605 HD2 0.02 0.15 -0.31 -0.04 3.68 3.50 2pm7A1 PRO 605 HD3 -0.02 0.27 -0.53 -0.04 3.65 3.33 2pm7A1 ASN 606 H 0.06 0.17 -0.22 -0.55 8.53 7.99 2pm7A1 ASN 606 HA 0.02 0.22 0.84 -0.75 4.76 5.08 2pm7A1 ASN 606 HB2 0.02 -0.02 0.19 -0.04 2.88 3.02 2pm7A1 ASN 606 HB3 0.02 0.03 -0.01 -0.04 2.79 2.78 2pm7A1 ASN 606 HD21 0.03 0.02 -0.01 -0.04 7.03 7.03 2pm7A1 ASN 606 HD22 0.02 -0.03 0.06 -0.04 7.74 7.75 2pm7A1 ASP 607 H 0.05 0.37 -0.59 -0.55 8.40 7.67 2pm7A1 ASP 607 HA -0.01 0.08 0.59 -0.75 4.63 4.53 2pm7A1 ASP 607 HB2 0.02 0.16 -0.15 -0.04 2.71 2.70 2pm7A1 ASP 607 HB3 0.05 0.04 0.04 -0.04 2.70 2.78 2pm7A1 ILE 608 H -0.01 0.21 0.03 -0.55 8.25 7.93 2pm7A1 ILE 608 HA -0.00 0.17 0.42 -0.75 4.18 4.01 2pm7A1 ILE 608 HB -0.00 0.07 0.11 -0.04 1.89 2.02 2pm7A1 ILE 608 HG12 -0.01 0.00 -0.15 -0.04 1.49 1.29 2pm7A1 ILE 608 HG13 -0.00 0.04 0.09 -0.04 1.21 1.30 2pm7A1 ILE 608 HG23 -0.02 0.00 0.01 -0.04 0.93 0.89 2pm7A1 ILE 608 HD13 -0.00 0.02 0.00 -0.04 0.88 0.86 2pm7A1 ALA 609 H -0.05 0.07 -0.14 -0.55 8.40 7.74 2pm7A1 ALA 609 HA -0.04 0.13 0.39 -0.75 4.34 4.06 2pm7A1 ALA 609 HB3 -0.05 0.01 0.05 -0.04 1.41 1.37 2pm7A1 GLN 610 H -0.16 0.12 -0.23 -0.55 8.47 7.66 2pm7A1 GLN 610 HA -0.20 0.05 0.50 -0.75 4.36 3.96 2pm7A1 GLN 610 HB2 -0.35 -0.06 0.08 -0.04 2.15 1.77 2pm7A1 GLN 610 HB3 -0.65 0.16 0.12 -0.04 2.02 1.60 2pm7A1 GLN 610 HG2 -1.47 0.02 -0.02 -0.04 2.40 0.90 2pm7A1 GLN 610 HG3 -1.07 0.04 -0.16 -0.04 2.39 1.16 2pm7A1 GLN 610 HE21 -0.08 -0.02 0.02 -0.04 6.97 6.84 2pm7A1 GLN 610 HE22 -0.17 0.04 0.01 -0.04 7.69 7.53 2pm7A1 ARG 611 H -0.14 0.37 -0.02 -0.55 8.46 8.12 2pm7A1 ARG 611 HA 0.09 0.00 0.34 -0.75 4.34 4.02 2pm7A1 ARG 611 HB2 0.06 0.14 0.11 -0.04 1.90 2.17 2pm7A1 ARG 611 HB3 0.00 0.02 0.21 -0.04 1.80 2.00 2pm7A1 ARG 611 HG2 0.04 0.04 -0.31 -0.04 1.67 1.40 2pm7A1 ARG 611 HG3 0.07 -0.03 -0.14 -0.04 1.67 1.53 2pm7A1 ARG 611 HD2 0.02 -0.01 0.00 -0.04 3.22 3.20 2pm7A1 ARG 611 HD3 0.03 -0.03 -0.04 -0.04 3.22 3.14 2pm7A1 ASN 612 H -0.02 0.50 -0.15 -0.55 8.53 8.32 2pm7A1 ASN 612 HA 0.03 0.08 0.54 -0.75 4.76 4.66 2pm7A1 ASN 612 HB2 -0.01 0.01 0.11 -0.04 2.88 2.94 2pm7A1 ASN 612 HB3 0.01 -0.00 0.12 -0.04 2.79 2.88 2pm7A1 ASN 612 HD21 0.00 -0.06 -0.03 -0.04 7.03 6.90 2pm7A1 ASN 612 HD22 -0.00 -0.03 0.00 -0.04 7.74 7.67 2pm7A1 GLU 613 H -0.04 0.25 -0.38 -0.55 8.60 7.89 2pm7A1 GLU 613 HA -0.00 -0.01 0.27 -0.75 4.29 3.79 2pm7A1 GLU 613 HB2 -0.04 0.01 0.15 -0.04 2.09 2.17 2pm7A1 GLU 613 HB3 -0.06 0.19 0.21 -0.04 1.99 2.29 2pm7A1 GLU 613 HG2 -0.00 -0.04 0.12 -0.04 2.34 2.37 2pm7A1 GLU 613 HG3 -0.01 -0.04 0.09 -0.04 2.34 2.33 2pm7A1 ILE 616 HA 0.21 -0.15 0.33 -0.75 4.18 3.82 2pm7A1 ILE 616 HB 0.05 0.22 -0.74 -0.04 1.89 1.38 2pm7A1 ILE 616 HG12 0.08 0.23 0.03 -0.04 1.49 1.80 2pm7A1 ILE 616 HG13 0.03 -0.08 -0.09 -0.04 1.21 1.04 2pm7A1 ILE 616 HG23 0.08 -0.05 -0.20 -0.04 0.93 0.71 2pm7A1 ILE 616 HD13 0.18 -0.06 0.04 -0.04 0.88 0.99 2pm7A1 LYS 617 H 0.05 0.92 0.61 -0.55 8.42 9.44 2pm7A1 LYS 617 HA 0.04 -0.03 0.45 -0.75 4.32 4.02 2pm7A1 LYS 617 HB2 0.03 0.18 0.20 -0.04 1.87 2.24 2pm7A1 LYS 617 HB3 0.03 -0.04 -0.04 -0.04 1.79 1.70 2pm7A1 LYS 617 HG2 0.03 0.01 -0.06 -0.04 1.46 1.40 2pm7A1 LYS 617 HG3 0.02 -0.04 0.07 -0.04 1.46 1.48 2pm7A1 LYS 617 HD2 0.02 0.00 0.04 -0.04 1.69 1.71 2pm7A1 LYS 617 HD3 0.03 -0.03 -0.03 -0.04 1.68 1.61 2pm7A1 LYS 617 HE2 0.02 -0.01 0.00 -0.04 2.99 2.96 2pm7A1 LYS 617 HE3 0.02 -0.04 -0.00 -0.04 2.99 2.93 2pm7A1 LEU 618 H 0.03 0.22 -0.39 -0.55 8.37 7.69 2pm7A1 LEU 618 HA 0.01 0.16 0.46 -0.75 4.35 4.22 2pm7A1 LEU 618 HB2 0.04 0.00 -0.02 -0.04 1.64 1.62 2pm7A1 LEU 618 HB3 0.03 0.02 -0.02 -0.04 1.64 1.63 2pm7A1 LEU 618 HG 0.02 -0.01 -0.33 -0.04 1.64 1.28 2pm7A1 LEU 618 HD13 0.07 -0.01 -0.01 -0.04 0.93 0.94 2pm7A1 LEU 618 HD23 0.18 -0.00 -0.17 -0.04 0.89 0.85 2pm7A1 GLY 619 H -0.04 0.14 -0.20 -0.55 8.43 7.78 2pm7A1 GLY 619 HA2 -0.36 -0.03 0.33 -0.51 4.01 3.45 2pm7A1 GLY 619 HA3 -0.51 0.04 0.30 -0.51 4.01 3.33 2pm7A1 ASP 620 H 0.06 0.43 -0.38 -0.55 8.40 7.96 2pm7A1 ASP 620 HA 0.11 -0.02 0.42 -0.75 4.63 4.38 2pm7A1 ASP 620 HB2 0.05 0.13 0.06 -0.04 2.71 2.91 2pm7A1 ASP 620 HB3 0.05 -0.09 -0.01 -0.04 2.70 2.61 2pm7A1 ARG 621 H -0.01 0.35 -0.18 -0.55 8.46 8.06 2pm7A1 ARG 621 HA -0.01 -0.03 0.21 -0.75 4.34 3.76 2pm7A1 ARG 621 HB2 -0.00 0.09 0.19 -0.04 1.90 2.14 2pm7A1 ARG 621 HB3 -0.03 0.10 0.16 -0.04 1.80 1.99 2pm7A1 ARG 621 HG2 -0.02 -0.10 0.06 -0.04 1.67 1.57 2pm7A1 ARG 621 HG3 -0.00 -0.07 0.06 -0.04 1.67 1.62 2pm7A1 ARG 621 HD2 0.01 -0.03 0.10 -0.04 3.22 3.26 2pm7A1 ARG 621 HD3 0.01 0.15 0.09 -0.04 3.22 3.43 2pm7A1 LYS 623 HA -0.03 -0.19 0.04 -0.75 4.32 3.39 2pm7A1 LYS 623 HB2 -0.01 0.01 0.09 -0.04 1.87 1.91 2pm7A1 LYS 623 HB3 0.03 0.13 0.12 -0.04 1.79 2.02 2pm7A1 LYS 623 HG2 0.06 -0.00 -0.06 -0.04 1.46 1.42 2pm7A1 LYS 623 HG3 0.03 -0.01 -0.27 -0.04 1.46 1.17 2pm7A1 LYS 623 HD2 0.01 -0.12 0.01 -0.04 1.69 1.55 2pm7A1 LYS 623 HD3 0.01 0.01 0.02 -0.04 1.68 1.68 2pm7A1 LYS 623 HE2 0.04 -0.05 -0.02 -0.04 2.99 2.91 2pm7A1 LYS 623 HE3 0.04 0.02 -0.02 -0.04 2.99 2.99 2pm7A1 GLU 624 H -0.00 0.84 -0.57 -0.55 8.60 8.32 2pm7A1 GLU 624 HA 0.02 -0.00 0.51 -0.75 4.29 4.06 2pm7A1 GLU 624 HB2 0.02 0.02 0.05 -0.04 2.09 2.13 2pm7A1 GLU 624 HB3 0.01 0.09 0.04 -0.04 1.99 2.09 2pm7A1 GLU 624 HG2 0.01 -0.02 0.17 -0.04 2.34 2.46 2pm7A1 GLU 624 HG3 0.01 -0.06 0.10 -0.04 2.34 2.36 2pm7A1 ASN 625 H 0.02 0.07 -0.59 -0.55 8.53 7.48 2pm7A1 ASN 625 HA 0.04 0.13 0.69 -0.75 4.76 4.86 2pm7A1 ASN 625 HB2 -0.01 0.16 0.06 -0.04 2.88 3.06 2pm7A1 ASN 625 HB3 0.05 -0.13 0.21 -0.04 2.79 2.88 2pm7A1 ASN 625 HD21 -0.00 -0.10 -0.02 -0.04 7.03 6.88 2pm7A1 ASN 625 HD22 -0.03 0.45 0.02 -0.04 7.74 8.14 2pm7A1 GLY 626 H 0.03 0.33 -0.02 -0.55 8.43 8.22 2pm7A1 GLY 626 HA2 -0.01 0.01 0.36 -0.51 4.01 3.86 2pm7A1 GLY 626 HA3 -0.01 0.11 0.41 -0.51 4.01 4.00 2pm7A1 HIS 627 H 0.17 0.19 -0.54 -0.55 8.41 7.68 2pm7A1 HIS 627 HA -0.11 0.12 0.84 -0.75 4.63 4.73 2pm7A1 HIS 627 HB2 -0.23 0.14 -0.01 -0.04 3.26 3.12 2pm7A1 HIS 627 HB3 -0.34 -0.11 0.05 -0.04 3.20 2.76 2pm7A1 HIS 627 HD2 -0.16 -0.02 -0.05 -0.04 6.97 6.69 2pm7A1 HIS 627 HE1 -0.01 -0.00 -0.03 -0.04 7.75 7.67 2pm7A1 ARG 628 H -0.06 0.34 -0.15 -0.55 8.46 8.03 2pm7A1 ARG 628 HA -0.05 0.17 0.47 -0.75 4.34 4.18 2pm7A1 ARG 628 HB2 -0.01 0.06 0.06 -0.04 1.90 1.97 2pm7A1 ARG 628 HB3 -0.02 -0.05 0.13 -0.04 1.80 1.82 2pm7A1 ARG 628 HG2 0.02 0.02 -0.01 -0.04 1.67 1.66 2pm7A1 ARG 628 HG3 0.04 0.01 -0.02 -0.04 1.67 1.66 2pm7A1 ARG 628 HD2 0.03 -0.04 -0.09 -0.04 3.22 3.07 2pm7A1 ARG 628 HD3 0.03 0.01 -0.41 -0.04 3.22 2.80 2pm7A1 GLN 629 H -0.06 0.13 0.03 -0.55 8.47 8.02 2pm7A1 GLN 629 HA -0.02 0.10 0.33 -0.75 4.36 4.01 2pm7A1 GLN 629 HB2 -0.03 -0.03 0.12 -0.04 2.15 2.17 2pm7A1 GLN 629 HB3 -0.04 0.04 -0.03 -0.04 2.02 1.95 2pm7A1 GLN 629 HG2 0.02 0.02 -0.01 -0.04 2.40 2.38 2pm7A1 GLN 629 HG3 0.03 0.06 -0.04 -0.04 2.39 2.40 2pm7A1 GLN 629 HE21 0.05 0.02 -0.16 -0.04 6.97 6.83 2pm7A1 GLN 629 HE22 0.07 0.06 -0.07 -0.04 7.69 7.71 2pm7A1 ASP 630 H -0.18 0.05 -0.45 -0.55 8.40 7.27 2pm7A1 ASP 630 HA -0.24 0.16 0.59 -0.75 4.63 4.38 2pm7A1 ASP 630 HB2 -0.64 0.07 -0.02 -0.04 2.71 2.07 2pm7A1 ASP 630 HB3 -1.58 0.03 -0.02 -0.04 2.70 1.09 2pm7A1 SER 631 H -0.26 0.37 -0.15 -0.55 8.46 7.86 2pm7A1 SER 631 HA -0.48 0.01 0.44 -0.75 4.49 3.71 2pm7A1 SER 631 HB2 -0.44 0.22 0.20 -0.04 3.95 3.89 2pm7A1 SER 631 HB3 -0.24 0.26 0.26 -0.04 3.93 4.17 2pm7A1 LEU 632 H -0.16 0.35 -0.36 -0.55 8.37 7.65 2pm7A1 LEU 632 HA 0.06 0.00 0.42 -0.75 4.35 4.08 2pm7A1 LEU 632 HB2 -0.03 0.15 0.03 -0.04 1.64 1.74 2pm7A1 LEU 632 HB3 -0.11 -0.03 -0.01 -0.04 1.64 1.45 2pm7A1 LEU 632 HG -0.06 0.28 0.02 -0.04 1.64 1.85 2pm7A1 LEU 632 HD13 0.00 -0.01 -0.06 -0.04 0.93 0.82 2pm7A1 LEU 632 HD23 -0.14 -0.03 -0.07 -0.04 0.89 0.62 2pm7A1 THR 633 H -0.07 0.24 -0.29 -0.55 8.28 7.61 2pm7A1 THR 633 HA 0.18 0.03 0.31 -0.75 4.39 4.16 2pm7A1 THR 633 HB -0.03 0.23 0.18 -0.04 4.32 4.66 2pm7A1 THR 633 HG23 0.17 0.01 -0.21 -0.04 1.22 1.15 2pm7A1 LEU 634 H -0.14 0.44 -0.15 -0.55 8.37 7.98 2pm7A1 LEU 634 HA 0.06 0.04 0.32 -0.75 4.35 4.02 2pm7A1 LEU 634 HB2 -0.35 0.13 0.14 -0.04 1.64 1.52 2pm7A1 LEU 634 HB3 -0.07 -0.03 0.01 -0.04 1.64 1.50 2pm7A1 LEU 634 HG -0.11 0.12 0.01 -0.04 1.64 1.61 2pm7A1 LEU 634 HD13 -0.14 -0.03 -0.19 -0.04 0.93 0.53 2pm7A1 LEU 634 HD23 0.29 -0.01 -0.06 -0.04 0.89 1.07 2pm7A1 TYR 635 H -0.19 0.46 -0.27 -0.55 8.29 7.74 2pm7A1 TYR 635 HA -0.00 0.02 0.46 -0.75 4.56 4.29 2pm7A1 TYR 635 HB2 -0.04 0.15 0.19 -0.04 3.06 3.32 2pm7A1 TYR 635 HB3 -0.03 -0.07 0.00 -0.04 2.98 2.85 2pm7A1 TYR 635 HD2 -0.09 -0.05 -0.06 -0.04 7.15 6.92 2pm7A1 TYR 635 HE2 -0.07 0.04 -0.10 -0.04 6.85 6.68 2pm7A1 LEU 636 H 0.18 0.95 0.00 -0.55 8.37 8.95 2pm7A1 LEU 636 HA 0.12 -0.10 0.31 -0.75 4.35 3.92 2pm7A1 LEU 636 HB2 0.27 -0.05 0.05 -0.04 1.64 1.87 2pm7A1 LEU 636 HB3 0.19 0.22 0.15 -0.04 1.64 2.15 2pm7A1 LEU 636 HG 0.12 0.01 -0.21 -0.04 1.64 1.52 2pm7A1 LEU 636 HD13 -0.12 -0.02 0.01 -0.04 0.93 0.76 2pm7A1 LEU 636 HD23 0.19 -0.01 -0.07 -0.04 0.89 0.96 2pm7A1 ALA 637 H 0.10 0.40 -0.68 -0.55 8.40 7.68 2pm7A1 ALA 637 HA 0.05 0.08 0.74 -0.75 4.34 4.46 2pm7A1 ALA 637 HB3 0.07 0.02 0.05 -0.04 1.41 1.51 2pm7A1 ALA 638 H 0.09 0.42 0.02 -0.55 8.40 8.39 2pm7A1 ALA 638 HA 0.04 0.11 0.77 -0.75 4.34 4.51 2pm7A1 ALA 638 HB3 0.09 -0.00 0.21 -0.04 1.41 1.67 2pm7A1 GLY 639 H 0.03 0.21 -0.45 -0.55 8.43 7.67 2pm7A1 GLY 639 HA2 -0.03 -0.06 0.23 -0.51 4.01 3.64 2pm7A1 GLY 639 HA3 -0.02 0.08 0.35 -0.51 4.01 3.92 2pm7A1 SER 640 H 0.03 0.36 -0.35 -0.55 8.46 7.96 2pm7A1 SER 640 HA -0.04 0.19 0.80 -0.75 4.49 4.69 2pm7A1 SER 640 HB2 -0.02 0.23 -0.02 -0.04 3.95 4.10 2pm7A1 SER 640 HB3 -0.07 -0.01 0.17 -0.04 3.93 3.98 2pm7A1 LEU 641 H -0.03 0.45 -0.09 -0.55 8.37 8.15 2pm7A1 LEU 641 HA 0.07 0.08 0.29 -0.75 4.35 4.04 2pm7A1 LEU 641 HB2 -0.06 0.08 -0.03 -0.04 1.64 1.58 2pm7A1 LEU 641 HB3 0.00 0.03 0.03 -0.04 1.64 1.66 2pm7A1 LEU 641 HG 0.17 -0.10 -0.11 -0.04 1.64 1.55 2pm7A1 LEU 641 HD13 -0.05 0.01 -0.03 -0.04 0.93 0.82 2pm7A1 LEU 641 HD23 -0.07 0.04 -0.03 -0.04 0.89 0.80 2pm7A1 ASP 642 H -0.05 0.13 -0.37 -0.55 8.40 7.56 2pm7A1 ASP 642 HA 0.00 0.05 0.38 -0.75 4.63 4.30 2pm7A1 ASP 642 HB2 -0.08 0.05 -0.01 -0.04 2.71 2.62 2pm7A1 ASP 642 HB3 -0.05 -0.00 -0.01 -0.04 2.70 2.60 2pm7A1 LYS 643 H -0.25 0.29 -0.27 -0.55 8.42 7.65 2pm7A1 LYS 643 HA -0.32 0.05 0.40 -0.75 4.32 3.70 2pm7A1 LYS 643 HB2 -1.00 0.14 0.10 -0.04 1.87 1.08 2pm7A1 LYS 643 HB3 -1.80 0.04 -0.06 -0.04 1.79 -0.08 2pm7A1 LYS 643 HG2 -0.33 -0.10 -0.00 -0.04 1.46 0.98 2pm7A1 LYS 643 HG3 -0.64 0.09 0.01 -0.04 1.46 0.88 2pm7A1 LYS 643 HD2 -0.36 0.04 -0.04 -0.04 1.69 1.29 2pm7A1 LYS 643 HD3 -0.25 -0.07 -0.06 -0.04 1.68 1.26 2pm7A1 LYS 643 HE2 -0.10 -0.04 -0.06 -0.04 2.99 2.74 2pm7A1 LYS 643 HE3 -0.06 0.09 -0.06 -0.04 2.99 2.92 2pm7A1 VAL 644 H -0.30 0.29 -0.17 -0.55 8.24 7.52 2pm7A1 VAL 644 HA -0.54 0.05 0.35 -0.75 4.13 3.25 2pm7A1 VAL 644 HB -0.40 0.07 0.04 -0.04 2.12 1.79 2pm7A1 VAL 644 HG13 -2.24 0.00 -0.11 -0.04 0.97 -1.42 2pm7A1 VAL 644 HG23 -0.08 0.04 -0.02 -0.04 0.95 0.84 2pm7A1 ALA 645 H -0.13 0.54 -0.24 -0.55 8.40 8.02 2pm7A1 ALA 645 HA 0.19 0.03 0.31 -0.75 4.34 4.12 2pm7A1 ALA 645 HB3 0.18 0.02 0.08 -0.04 1.41 1.65 2pm7A1 SER 646 H -0.05 0.62 -0.07 -0.55 8.46 8.42 2pm7A1 SER 646 HA 0.03 -0.08 0.29 -0.75 4.49 3.97 2pm7A1 SER 646 HB2 -0.09 0.14 0.12 -0.04 3.95 4.08 2pm7A1 SER 646 HB3 -0.02 -0.04 -0.02 -0.04 3.93 3.81 2pm7A1 ILE 647 H -0.11 0.51 -0.40 -0.55 8.25 7.70 2pm7A1 ILE 647 HA 0.04 -0.00 0.41 -0.75 4.18 3.87 2pm7A1 ILE 647 HB -0.24 0.16 0.16 -0.04 1.89 1.93 2pm7A1 ILE 647 HG12 -0.12 0.46 0.10 -0.04 1.49 1.90 2pm7A1 ILE 647 HG13 0.01 -0.04 -0.04 -0.04 1.21 1.10 2pm7A1 ILE 647 HG23 0.09 -0.03 -0.10 -0.04 0.93 0.85 2pm7A1 ILE 647 HD13 0.04 -0.03 -0.04 -0.04 0.88 0.80 2pm7A1 TRP 648 H 0.07 0.64 0.00 -0.55 7.97 8.14 2pm7A1 TRP 648 HA 0.10 -0.05 0.35 -0.75 4.62 4.26 2pm7A1 TRP 648 HB2 0.18 0.14 0.14 -0.04 3.23 3.66 2pm7A1 TRP 648 HB3 0.38 -0.07 -0.00 -0.04 3.23 3.49 2pm7A1 TRP 648 HD1 -0.01 -0.09 -0.11 -0.04 7.22 6.97 2pm7A1 TRP 648 HE1 -0.16 -0.04 -0.06 -0.04 10.20 9.91 2pm7A1 TRP 648 HE3 -0.05 -0.02 -0.12 -0.04 7.59 7.36 2pm7A1 TRP 648 HZ2 -0.48 0.02 -0.06 -0.04 7.44 6.88 2pm7A1 TRP 648 HZ3 -0.21 0.01 -0.18 -0.04 7.13 6.71 2pm7A1 TRP 648 HH2 -0.74 0.06 -0.09 -0.04 7.19 6.38 2pm7A1 LEU 649 H 0.24 0.50 -0.34 -0.55 8.37 8.23 2pm7A1 LEU 649 HA 0.01 0.07 0.55 -0.75 4.35 4.23 2pm7A1 LEU 649 HB2 0.06 0.10 -0.01 -0.04 1.64 1.76 2pm7A1 LEU 649 HB3 -0.04 -0.08 0.01 -0.04 1.64 1.49 2pm7A1 LEU 649 HG 0.24 0.13 -0.18 -0.04 1.64 1.80 2pm7A1 LEU 649 HD13 0.02 -0.05 -0.14 -0.04 0.93 0.72 2pm7A1 LEU 649 HD23 -0.22 0.00 -0.13 -0.04 0.89 0.50 2pm7A1 SER 650 H 0.13 0.54 -0.19 -0.55 8.46 8.39 2pm7A1 SER 650 HA 0.06 0.07 0.71 -0.75 4.49 4.57 2pm7A1 SER 650 HB2 0.05 -0.08 0.11 -0.04 3.95 3.98 2pm7A1 SER 650 HB3 0.05 0.07 0.13 -0.04 3.93 4.14 2pm7A1 GLU 651 H 0.17 0.34 -0.10 -0.55 8.60 8.47 2pm7A1 GLU 651 HA 0.07 0.04 0.53 -0.75 4.29 4.18 2pm7A1 GLU 651 HB2 0.17 0.11 0.02 -0.04 2.09 2.36 2pm7A1 GLU 651 HB3 0.08 -0.10 0.09 -0.04 1.99 2.01 2pm7A1 GLU 651 HG2 0.10 -0.05 -0.04 -0.04 2.34 2.31 2pm7A1 GLU 651 HG3 0.18 0.42 0.01 -0.04 2.34 2.90 2pm7A1 PHE 652 H 0.20 0.12 -0.72 -0.55 8.34 7.38 2pm7A1 PHE 652 HA -0.08 0.04 0.33 -0.75 4.62 4.15 2pm7A1 PHE 652 HB2 -0.20 0.06 0.11 -0.04 3.15 3.08 2pm7A1 PHE 652 HB3 -0.11 0.09 0.05 -0.04 3.06 3.05 2pm7A1 PHE 652 HD2 -0.33 0.01 -0.08 -0.04 7.28 6.84 2pm7A1 PHE 652 HE2 -0.21 0.00 -0.05 -0.04 7.38 7.07 2pm7A1 PHE 652 HZ -0.21 0.06 -0.03 -0.04 7.32 7.10 2pm7A1 PRO 653 HA -0.04 0.04 0.37 -0.51 4.44 4.31 2pm7A1 PRO 653 HB2 0.02 -0.08 0.13 -0.04 2.28 2.31 2pm7A1 PRO 653 HB3 0.03 0.02 0.07 -0.04 2.02 2.09 2pm7A1 PRO 653 HG2 0.07 0.08 0.08 -0.04 2.03 2.22 2pm7A1 PRO 653 HG3 0.13 0.01 0.07 -0.04 2.03 2.20 2pm7A1 PRO 653 HD2 0.10 0.37 -0.24 -0.04 3.68 3.87 2pm7A1 PRO 653 HD3 0.23 0.19 0.03 -0.04 3.65 4.06 2pm7A1 ASP 654 H -0.01 0.22 -0.10 -0.55 8.40 7.96 2pm7A1 ASP 654 HA -0.04 -0.01 0.36 -0.75 4.63 4.19 2pm7A1 ASP 654 HB2 -0.01 0.11 0.09 -0.04 2.71 2.85 2pm7A1 ASP 654 HB3 -0.02 -0.02 0.00 -0.04 2.70 2.62 2pm7A1 LEU 655 H -0.10 0.50 -0.27 -0.55 8.37 7.96 2pm7A1 LEU 655 HA -0.08 -0.07 0.44 -0.75 4.35 3.88 2pm7A1 LEU 655 HB2 -0.09 0.22 0.16 -0.04 1.64 1.88 2pm7A1 LEU 655 HB3 -0.21 0.09 0.05 -0.04 1.64 1.53 2pm7A1 LEU 655 HG -0.08 -0.03 0.11 -0.04 1.64 1.60 2pm7A1 LEU 655 HD13 -0.04 -0.04 0.04 -0.04 0.93 0.86 2pm7A1 LEU 655 HD23 -0.06 0.01 -0.01 -0.04 0.89 0.78 2pm7A1 GLU 656 H -0.25 0.68 -0.15 -0.55 8.60 8.33 2pm7A1 GLU 656 HA -0.21 0.09 0.65 -0.75 4.29 4.06 2pm7A1 GLU 656 HB2 -0.57 0.02 0.07 -0.04 2.09 1.57 2pm7A1 GLU 656 HB3 -0.25 0.16 0.17 -0.04 1.99 2.03 2pm7A1 GLU 656 HG2 -0.09 -0.07 -0.20 -0.04 2.34 1.95 2pm7A1 GLU 656 HG3 -0.14 0.01 -0.10 -0.04 2.34 2.07 2pm7A1 ASP 657 H -0.10 0.41 -0.02 -0.55 8.40 8.14 2pm7A1 ASP 657 HA -0.05 0.04 0.55 -0.75 4.63 4.42 2pm7A1 ASP 657 HB2 -0.04 0.10 0.15 -0.04 2.71 2.88 2pm7A1 ASP 657 HB3 -0.03 -0.03 0.02 -0.04 2.70 2.61 2pm7A1 LYS 658 H -0.06 0.49 -0.09 -0.55 8.42 8.21 2pm7A1 LYS 658 HA -0.03 0.04 0.44 -0.75 4.32 4.01 2pm7A1 LYS 658 HB2 -0.05 0.12 0.12 -0.04 1.87 2.01 2pm7A1 LYS 658 HB3 -0.03 -0.02 0.02 -0.04 1.79 1.71 2pm7A1 LYS 658 HG2 -0.03 -0.01 0.05 -0.04 1.46 1.43 2pm7A1 LYS 658 HG3 -0.03 0.10 0.04 -0.04 1.46 1.53 2pm7A1 LYS 658 HD2 -0.03 -0.01 0.02 -0.04 1.69 1.63 2pm7A1 LYS 658 HD3 -0.02 -0.04 0.04 -0.04 1.68 1.62 2pm7A1 LYS 658 HE2 -0.01 0.02 0.02 -0.04 2.99 2.97 2pm7A1 LYS 658 HE3 -0.02 0.03 -0.01 -0.04 2.99 2.94 2pm7A1 LEU 659 H -0.07 0.21 -0.54 -0.55 8.37 7.43 2pm7A1 LEU 659 HA -0.04 0.10 0.48 -0.75 4.35 4.14 2pm7A1 LEU 659 HB2 -0.08 0.17 0.16 -0.04 1.64 1.84 2pm7A1 LEU 659 HB3 -0.06 -0.03 -0.04 -0.04 1.64 1.48 2pm7A1 LEU 659 HG -0.07 0.04 0.07 -0.04 1.64 1.64 2pm7A1 LEU 659 HD13 -0.11 -0.01 0.04 -0.04 0.93 0.82 2pm7A1 LEU 659 HD23 -0.05 -0.00 -0.02 -0.04 0.89 0.78 2pm7A1 LYS 660 H -0.05 0.37 -0.08 -0.55 8.42 8.10 2pm7A1 LYS 660 HA -0.02 0.11 0.34 -0.75 4.32 3.98 2pm7A1 LYS 660 HB2 -0.03 0.01 0.11 -0.04 1.87 1.93 2pm7A1 LYS 660 HB3 -0.03 0.07 0.19 -0.04 1.79 1.98 2pm7A1 LYS 660 HG2 -0.01 -0.06 -0.02 -0.04 1.46 1.33 2pm7A1 LYS 660 HG3 -0.01 -0.00 -0.24 -0.04 1.46 1.16 2pm7A1 LYS 660 HD2 -0.01 0.38 0.14 -0.04 1.69 2.16 2pm7A1 LYS 660 HD3 -0.01 -0.09 -0.08 -0.04 1.68 1.46 2pm7A1 LYS 660 HE2 -0.00 -0.03 -0.01 -0.04 2.99 2.90 2pm7A1 LYS 660 HE3 -0.00 0.00 -0.01 -0.04 2.99 2.94 2pm7A1 LYS 661 H -0.03 0.41 -0.34 -0.55 8.42 7.90 2pm7A1 LYS 661 HA -0.01 0.02 0.49 -0.75 4.32 4.06 2pm7A1 LYS 661 HB2 -0.02 0.12 0.04 -0.04 1.87 1.97 2pm7A1 LYS 661 HB3 -0.01 -0.05 0.06 -0.04 1.79 1.75 2pm7A1 LYS 661 HG2 -0.01 -0.06 0.03 -0.04 1.46 1.37 2pm7A1 LYS 661 HG3 -0.02 0.19 0.07 -0.04 1.46 1.66 2pm7A1 LYS 661 HD2 -0.02 0.01 -0.01 -0.04 1.69 1.63 2pm7A1 LYS 661 HD3 -0.01 -0.04 0.00 -0.04 1.68 1.59 2pm7A1 LYS 661 HE2 -0.01 -0.03 -0.02 -0.04 2.99 2.89 2pm7A1 LYS 661 HE3 -0.02 0.01 -0.08 -0.04 2.99 2.86 2pm7A1 ASP 662 H -0.02 0.31 -0.54 -0.55 8.40 7.60 2pm7A1 ASP 662 HA -0.02 0.02 0.42 -0.75 4.63 4.30 2pm7A1 ASP 662 HB2 -0.03 0.09 0.18 -0.04 2.71 2.91 2pm7A1 ASP 662 HB3 -0.03 0.09 0.13 -0.04 2.70 2.85 2pm7A1 ASN 663 H -0.01 0.29 -1.06 -0.55 8.53 7.20 2pm7A1 ASN 663 HA -0.01 -0.02 0.26 -0.75 4.76 4.24 2pm7A1 ASN 663 HB2 -0.01 0.22 0.09 -0.04 2.88 3.13 2pm7A1 ASN 663 HB3 -0.01 -0.10 0.15 -0.04 2.79 2.80 2pm7A1 ASN 663 HD21 -0.01 -0.04 -0.05 -0.04 7.03 6.89 2pm7A1 ASN 663 HD22 -0.01 0.07 -0.19 -0.04 7.74 7.57 2pm7A1 LYS 664 H -0.01 0.45 -0.01 -0.55 8.42 8.29 2pm7A1 LYS 664 HA -0.00 0.08 0.80 -0.75 4.32 4.44 2pm7A1 LYS 664 HB2 -0.02 0.04 -0.26 -0.04 1.87 1.59 2pm7A1 LYS 664 HB3 -0.02 -0.15 -0.16 -0.04 1.79 1.42 2pm7A1 LYS 664 HG2 -0.02 0.02 -0.13 -0.04 1.46 1.28 2pm7A1 LYS 664 HG3 -0.02 0.18 -0.68 -0.04 1.46 0.89 2pm7A1 LYS 664 HD2 -0.04 -0.04 -0.16 -0.04 1.69 1.41 2pm7A1 LYS 664 HD3 -0.04 -0.05 -0.18 -0.04 1.68 1.37 2pm7A1 LYS 664 HE2 -0.03 -0.03 -0.05 -0.04 2.99 2.84 2pm7A1 LYS 664 HE3 -0.03 0.10 -0.05 -0.04 2.99 2.97 2pm7A1 THR 665 H 0.02 0.12 0.11 -0.55 8.28 7.98 2pm7A1 THR 665 HA 0.02 0.17 0.45 -0.75 4.39 4.27 2pm7A1 THR 665 HB 0.05 -0.03 0.18 -0.04 4.32 4.47 2pm7A1 THR 665 HG23 0.03 0.06 0.06 -0.04 1.22 1.32 2pm7A1 ILE 666 H 0.03 0.18 0.18 -0.55 8.25 8.09 2pm7A1 ILE 666 HA 0.02 0.15 0.39 -0.75 4.18 3.98 2pm7A1 ILE 666 HB 0.04 -0.03 0.11 -0.04 1.89 1.96 2pm7A1 ILE 666 HG12 0.01 -0.05 0.15 -0.04 1.49 1.57 2pm7A1 ILE 666 HG13 0.01 0.04 0.06 -0.04 1.21 1.28 2pm7A1 ILE 666 HG23 0.01 0.02 -0.03 -0.04 0.93 0.88 2pm7A1 ILE 666 HD13 0.00 0.03 0.03 -0.04 0.88 0.90 2pm7A1 TYR 667 H 0.15 0.04 -0.20 -0.55 8.29 7.74 2pm7A1 TYR 667 HA 0.04 0.13 0.50 -0.75 4.56 4.48 2pm7A1 TYR 667 HB2 -0.02 0.02 0.05 -0.04 3.06 3.07 2pm7A1 TYR 667 HB3 -0.01 -0.03 0.05 -0.04 2.98 2.95 2pm7A1 TYR 667 HD2 -0.01 -0.02 -0.08 -0.04 7.15 7.01 2pm7A1 TYR 667 HE2 -0.00 0.05 -0.07 -0.04 6.85 6.79 2pm7A1 GLU 668 H 0.07 -0.01 -0.20 -0.55 8.60 7.91 2pm7A1 GLU 668 HA -0.15 0.10 0.36 -0.75 4.29 3.85 2pm7A1 GLU 668 HB2 -0.01 -0.02 0.05 -0.04 2.09 2.08 2pm7A1 GLU 668 HB3 -0.03 0.11 0.03 -0.04 1.99 2.06 2pm7A1 GLU 668 HG2 0.05 0.11 0.04 -0.04 2.34 2.50 2pm7A1 GLU 668 HG3 0.09 -0.14 0.07 -0.04 2.34 2.32 2pm7A1 ALA 669 H -0.03 0.48 -0.42 -0.55 8.40 7.89 2pm7A1 ALA 669 HA -0.07 0.06 0.41 -0.75 4.34 3.98 2pm7A1 ALA 669 HB3 -0.04 0.05 -0.01 -0.04 1.41 1.37 2pm7A1 HIS 670 H 0.02 0.36 -0.14 -0.55 8.41 8.11 2pm7A1 HIS 670 HA -0.06 -0.01 0.37 -0.75 4.63 4.17 2pm7A1 HIS 670 HB2 -0.02 0.04 0.16 -0.04 3.26 3.40 2pm7A1 HIS 670 HB3 -0.14 0.00 0.23 -0.04 3.20 3.25 2pm7A1 HIS 670 HD2 0.07 -0.03 0.00 -0.04 6.97 6.97 2pm7A1 HIS 670 HE1 0.04 -0.01 -0.08 -0.04 7.75 7.66 2pm7A1 SER 671 H -0.30 0.58 -0.01 -0.55 8.46 8.18 2pm7A1 SER 671 HA -0.23 -0.01 0.36 -0.75 4.49 3.87 2pm7A1 SER 671 HB2 -0.67 -0.08 0.08 -0.04 3.95 3.24 2pm7A1 SER 671 HB3 -0.45 0.03 0.12 -0.04 3.93 3.59 2pm7A1 GLU 672 H -0.16 0.42 -0.21 -0.55 8.60 8.10 2pm7A1 GLU 672 HA -0.07 -0.05 0.35 -0.75 4.29 3.76 2pm7A1 GLU 672 HB2 -0.08 0.10 0.18 -0.04 2.09 2.25 2pm7A1 GLU 672 HB3 -0.09 -0.01 0.18 -0.04 1.99 2.03 2pm7A1 GLU 672 HG2 -0.06 -0.02 -0.02 -0.04 2.34 2.19 2pm7A1 GLU 672 HG3 -0.06 -0.04 -0.20 -0.04 2.34 2.00 2pm7A1 CYS 673 H -0.13 0.68 -0.10 -0.55 8.50 8.40 2pm7A1 CYS 673 HA -0.10 -0.07 0.25 -0.75 4.58 3.90 2pm7A1 CYS 673 HB2 -0.22 0.01 0.13 -0.04 2.97 2.85 2pm7A1 CYS 673 HB3 -0.25 0.14 0.15 -0.04 2.97 2.97 2pm7A1 THR 675 HA -0.19 -0.15 0.38 -0.75 4.39 3.68 2pm7A1 THR 675 HB -0.01 0.13 0.12 -0.04 4.32 4.52 2pm7A1 THR 675 HG23 0.05 -0.05 -0.10 -0.04 1.22 1.08 2pm7A1 GLU 676 H -0.00 0.67 -0.20 -0.55 8.60 8.52 2pm7A1 GLU 676 HA 0.11 -0.08 0.37 -0.75 4.29 3.94 2pm7A1 GLU 676 HB2 0.02 0.05 0.11 -0.04 2.09 2.22 2pm7A1 GLU 676 HB3 0.05 0.09 0.13 -0.04 1.99 2.22 2pm7A1 GLU 676 HG2 0.32 -0.05 0.04 -0.04 2.34 2.60 2pm7A1 GLU 676 HG3 0.12 -0.01 -0.00 -0.04 2.34 2.40 2pm7A1 PHE 677 H 0.14 0.78 0.11 -0.55 8.34 8.83 2pm7A1 PHE 677 HA -0.14 -0.01 0.40 -0.75 4.62 4.13 2pm7A1 PHE 677 HB2 0.07 0.02 0.08 -0.04 3.15 3.28 2pm7A1 PHE 677 HB3 -0.01 0.04 -0.01 -0.04 3.06 3.04 2pm7A1 PHE 677 HD2 -0.10 0.01 -0.13 -0.04 7.28 7.02 2pm7A1 PHE 677 HE2 -0.00 -0.01 -0.21 -0.04 7.38 7.11 2pm7A1 PHE 677 HZ -0.03 -0.06 -0.15 -0.04 7.32 7.04 2pm7A1 ILE 678 H -0.03 0.24 -0.15 -0.55 8.25 7.76 2pm7A1 ILE 678 HA -0.30 -0.01 0.30 -0.75 4.18 3.41 2pm7A1 ILE 678 HB -0.83 0.13 0.13 -0.04 1.89 1.28 2pm7A1 ILE 678 HG12 -0.27 0.02 -0.01 -0.04 1.49 1.19 2pm7A1 ILE 678 HG13 -1.05 0.00 0.02 -0.04 1.21 0.14 2pm7A1 ILE 678 HG23 -0.66 -0.02 -0.15 -0.04 0.93 0.07 2pm7A1 ILE 678 HD13 -0.63 -0.00 -0.08 -0.04 0.88 0.12 2pm7A1 GLU 679 H -0.06 0.70 -0.13 -0.55 8.60 8.56 2pm7A1 GLU 679 HA 0.18 -0.01 0.38 -0.75 4.29 4.08 2pm7A1 GLU 679 HB2 0.32 0.11 0.08 -0.04 2.09 2.56 2pm7A1 GLU 679 HB3 0.31 -0.08 -0.04 -0.04 1.99 2.15 2pm7A1 GLU 679 HG2 0.10 -0.09 -0.02 -0.04 2.34 2.29 2pm7A1 GLU 679 HG3 0.01 0.32 -0.06 -0.04 2.34 2.57 2pm7A1 ARG 680 H 0.10 0.64 -0.08 -0.55 8.46 8.57 2pm7A1 ARG 680 HA -0.69 -0.02 0.33 -0.75 4.34 3.21 2pm7A1 ARG 680 HB2 -0.38 0.18 0.18 -0.04 1.90 1.84 2pm7A1 ARG 680 HB3 -0.71 0.07 0.12 -0.04 1.80 1.24 2pm7A1 ARG 680 HG2 -1.09 -0.03 -0.05 -0.04 1.67 0.45 2pm7A1 ARG 680 HG3 -1.93 -0.01 -0.04 -0.04 1.67 -0.34 2pm7A1 ARG 680 HD2 -2.78 -0.02 -0.10 -0.04 3.22 0.27 2pm7A1 ARG 680 HD3 -1.38 -0.05 -0.07 -0.04 3.22 1.69 2pm7A1 PHE 681 H -0.15 0.64 -0.21 -0.55 8.34 8.07 2pm7A1 PHE 681 HA 0.25 -0.04 0.37 -0.75 4.62 4.45 2pm7A1 PHE 681 HB2 -0.48 -0.02 0.01 -0.04 3.15 2.62 2pm7A1 PHE 681 HB3 -0.16 0.15 0.05 -0.04 3.06 3.07 2pm7A1 PHE 681 HD2 0.31 0.03 -0.14 -0.04 7.28 7.44 2pm7A1 PHE 681 HE2 0.19 0.01 -0.06 -0.04 7.38 7.47 2pm7A1 PHE 681 HZ 0.10 -0.02 -0.07 -0.04 7.32 7.29 2pm7A1 THR 682 H 0.15 0.49 -0.25 -0.55 8.28 8.13 2pm7A1 THR 682 HA 0.12 0.02 0.41 -0.75 4.39 4.18 2pm7A1 THR 682 HB 0.24 0.08 0.23 -0.04 4.32 4.83 2pm7A1 THR 682 HG23 0.26 -0.02 -0.14 -0.04 1.22 1.28 2pm7A1 VAL 683 H 0.07 0.63 0.04 -0.55 8.24 8.43 2pm7A1 VAL 683 HA -0.64 0.01 0.32 -0.75 4.13 3.07 2pm7A1 VAL 683 HB -0.04 0.08 0.06 -0.04 2.12 2.18 2pm7A1 VAL 683 HG13 -0.11 -0.01 -0.13 -0.04 0.97 0.68 2pm7A1 VAL 683 HG23 0.36 0.02 -0.04 -0.04 0.95 1.25 2pm7A1 PHE 684 H 0.05 0.58 -0.20 -0.55 8.34 8.21 2pm7A1 PHE 684 HA -0.11 0.05 0.40 -0.75 4.62 4.20 2pm7A1 PHE 684 HB2 0.07 0.07 0.08 -0.04 3.15 3.32 2pm7A1 PHE 684 HB3 -0.02 0.03 0.10 -0.04 3.06 3.14 2pm7A1 PHE 684 HD2 -0.19 0.05 -0.08 -0.04 7.28 7.02 2pm7A1 PHE 684 HE2 -0.20 -0.04 -0.08 -0.04 7.38 7.03 2pm7A1 PHE 684 HZ -0.15 -0.03 -0.09 -0.04 7.32 7.01 2pm7A1 SER 685 H -0.20 0.62 -0.15 -0.55 8.46 8.19 2pm7A1 SER 685 HA -0.39 -0.11 0.42 -0.75 4.49 3.65 2pm7A1 SER 685 HB2 -0.76 -0.01 0.16 -0.04 3.95 3.29 2pm7A1 SER 685 HB3 -0.27 0.16 0.14 -0.04 3.93 3.91 2pm7A1 ASN 686 H -0.18 0.29 -0.80 -0.55 8.53 7.29 2pm7A1 ASN 686 HA -0.21 0.04 0.54 -0.75 4.76 4.38 2pm7A1 ASN 686 HB2 -0.30 -0.02 0.06 -0.04 2.88 2.58 2pm7A1 ASN 686 HB3 -0.42 0.32 0.15 -0.04 2.79 2.79 2pm7A1 ASN 686 HD21 -0.69 -0.03 0.01 -0.04 7.03 6.28 2pm7A1 ASN 686 HD22 -1.66 0.06 -0.12 -0.04 7.74 5.98 2pm7A1 PHE 687 H -0.11 0.47 -0.18 -0.55 8.34 7.97 2pm7A1 PHE 687 HA -0.18 0.18 1.02 -0.75 4.62 4.89 2pm7A1 PHE 687 HB2 -0.35 0.06 0.09 -0.04 3.15 2.91 2pm7A1 PHE 687 HB3 -0.21 -0.14 0.14 -0.04 3.06 2.81 2pm7A1 PHE 687 HD2 -0.22 0.09 0.06 -0.04 7.28 7.17 2pm7A1 PHE 687 HE2 -0.26 0.01 0.01 -0.04 7.38 7.10 2pm7A1 PHE 687 HZ -0.03 -0.10 -0.04 -0.04 7.32 7.10 2pm7A1 ILE 688 H -0.31 0.20 -0.03 -0.55 8.25 7.55 2pm7A1 ILE 688 HA -0.17 0.23 0.93 -0.75 4.18 4.43 2pm7A1 ILE 688 HB -0.67 0.04 -0.01 -0.04 1.89 1.21 2pm7A1 ILE 688 HG12 -0.13 -0.04 -0.12 -0.04 1.49 1.16 2pm7A1 ILE 688 HG13 -0.13 0.21 0.11 -0.04 1.21 1.37 2pm7A1 ILE 688 HG23 -0.35 -0.03 -0.11 -0.04 0.93 0.40 2pm7A1 ILE 688 HD13 -0.06 -0.07 -0.34 -0.04 0.88 0.37 2pm7A1 ASN 689 H -0.09 0.17 0.10 -0.55 8.53 8.15 2pm7A1 ASN 689 HA -0.08 0.16 0.60 -0.75 4.76 4.69 2pm7A1 ASN 689 HB2 -0.04 0.01 0.26 -0.04 2.88 3.06 2pm7A1 ASN 689 HB3 -0.04 -0.01 0.17 -0.04 2.79 2.87 2pm7A1 ASN 689 HD21 -0.02 0.02 0.04 -0.04 7.03 7.03 2pm7A1 ASN 689 HD22 -0.02 0.00 0.04 -0.04 7.74 7.72 2pm7A1 GLY 690 H -0.11 0.56 -0.26 -0.55 8.43 8.07 2pm7A1 GLY 690 HA2 -0.06 0.10 0.44 -0.51 4.01 3.98 2pm7A1 GLY 690 HA3 -0.08 0.05 0.17 -0.51 4.01 3.64 2pm7A1 ILE 694 HA -0.01 -0.13 0.29 -0.75 4.18 3.58 2pm7A1 ILE 694 HB -0.12 -0.00 0.13 -0.04 1.89 1.85 2pm7A1 ILE 694 HG12 -0.10 0.21 0.11 -0.04 1.49 1.67 2pm7A1 ILE 694 HG13 -0.37 0.01 -0.02 -0.04 1.21 0.79 2pm7A1 ILE 694 HG23 -0.15 -0.07 -0.08 -0.04 0.93 0.60 2pm7A1 ILE 694 HD13 0.02 -0.02 -0.08 -0.04 0.88 0.76 2pm7A1 ASN 695 H -0.01 0.08 0.10 -0.55 8.53 8.15 2pm7A1 ASN 695 HA -0.02 0.23 0.85 -0.75 4.76 5.06 2pm7A1 ASN 695 HB2 -0.01 -0.03 0.18 -0.04 2.88 2.98 2pm7A1 ASN 695 HB3 -0.01 0.10 -0.05 -0.04 2.79 2.78 2pm7A1 ASN 695 HD21 -0.01 -0.02 -0.00 -0.04 7.03 6.96 2pm7A1 ASN 695 HD22 -0.01 0.08 -0.02 -0.04 7.74 7.75 2pm7A1 ASN 696 H -0.02 0.18 -0.06 -0.55 8.53 8.08 2pm7A1 ASN 696 HA -0.01 0.18 0.85 -0.75 4.76 5.03 2pm7A1 ASN 696 HB2 0.00 0.09 0.03 -0.04 2.88 2.96 2pm7A1 ASN 696 HB3 -0.01 0.02 0.13 -0.04 2.79 2.88 2pm7A1 ASN 696 HD21 0.00 0.04 -0.02 -0.04 7.03 7.00 2pm7A1 ASN 696 HD22 0.00 0.08 0.01 -0.04 7.74 7.79 2pm7A1 GLU 697 H -0.01 0.25 0.12 -0.55 8.60 8.41 2pm7A1 GLU 697 HA -0.01 0.10 0.33 -0.75 4.29 3.96 2pm7A1 GLU 697 HB2 -0.01 -0.04 0.19 -0.04 2.09 2.18 2pm7A1 GLU 697 HB3 -0.01 0.04 0.00 -0.04 1.99 1.98 2pm7A1 GLU 697 HG2 -0.01 0.02 0.03 -0.04 2.34 2.34 2pm7A1 GLU 697 HG3 -0.01 0.06 0.08 -0.04 2.34 2.43 2pm7A1 GLN 698 H -0.02 0.14 -0.02 -0.55 8.47 8.03 2pm7A1 GLN 698 HA -0.04 0.06 0.36 -0.75 4.36 3.99 2pm7A1 GLN 698 HB2 -0.04 0.02 0.09 -0.04 2.15 2.18 2pm7A1 GLN 698 HB3 -0.04 -0.01 0.03 -0.04 2.02 1.95 2pm7A1 GLN 698 HG2 -0.17 0.02 -0.21 -0.04 2.40 2.00 2pm7A1 GLN 698 HG3 -0.11 -0.01 0.02 -0.04 2.39 2.24 2pm7A1 GLN 698 HE21 -0.05 0.07 0.01 -0.04 6.97 6.97 2pm7A1 GLN 698 HE22 -0.08 -0.05 0.00 -0.04 7.69 7.52 2pm7A1 LEU 699 H -0.01 0.03 -0.37 -0.55 8.37 7.47 2pm7A1 LEU 699 HA 0.05 0.07 0.29 -0.75 4.35 4.00 2pm7A1 LEU 699 HB2 0.01 -0.05 0.01 -0.04 1.64 1.57 2pm7A1 LEU 699 HB3 -0.02 0.08 0.05 -0.04 1.64 1.71 2pm7A1 LEU 699 HG -0.04 0.07 -0.22 -0.04 1.64 1.40 2pm7A1 LEU 699 HD13 -0.08 0.01 -0.06 -0.04 0.93 0.76 2pm7A1 LEU 699 HD23 -0.11 -0.01 -0.05 -0.04 0.89 0.68 2pm7A1 ILE 700 H 0.00 0.53 -0.16 -0.55 8.25 8.08 2pm7A1 ILE 700 HA 0.01 0.09 0.38 -0.75 4.18 3.91 2pm7A1 ILE 700 HB 0.00 0.10 0.20 -0.04 1.89 2.16 2pm7A1 ILE 700 HG12 -0.05 0.15 -0.01 -0.04 1.49 1.54 2pm7A1 ILE 700 HG13 -0.03 -0.05 -0.09 -0.04 1.21 1.00 2pm7A1 ILE 700 HG23 0.02 -0.02 -0.13 -0.04 0.93 0.76 2pm7A1 ILE 700 HD13 -0.12 0.03 0.01 -0.04 0.88 0.77 2pm7A1 ALA 701 H 0.02 0.65 0.05 -0.55 8.40 8.57 2pm7A1 ALA 701 HA 0.04 -0.04 0.37 -0.75 4.34 3.96 2pm7A1 ALA 701 HB3 -0.01 0.02 0.09 -0.04 1.41 1.46 2pm7A1 LYS 702 H -0.01 0.71 -0.21 -0.55 8.42 8.36 2pm7A1 LYS 702 HA -0.05 -0.02 0.43 -0.75 4.32 3.92 2pm7A1 LYS 702 HB2 -0.15 0.12 0.05 -0.04 1.87 1.85 2pm7A1 LYS 702 HB3 -0.32 -0.03 0.03 -0.04 1.79 1.43 2pm7A1 LYS 702 HG2 -0.27 -0.06 -0.02 -0.04 1.46 1.07 2pm7A1 LYS 702 HG3 -0.21 0.12 0.04 -0.04 1.46 1.36 2pm7A1 LYS 702 HD2 -0.67 -0.02 -0.09 -0.04 1.69 0.87 2pm7A1 LYS 702 HD3 -1.29 0.01 -0.04 -0.04 1.68 0.32 2pm7A1 LYS 702 HE2 -0.49 -0.02 -0.03 -0.04 2.99 2.41 2pm7A1 LYS 702 HE3 -0.33 -0.05 -0.03 -0.04 2.99 2.54 2pm7A1 PHE 703 H 0.27 0.46 -0.40 -0.55 8.34 8.11 2pm7A1 PHE 703 HA 0.09 0.01 0.50 -0.75 4.62 4.47 2pm7A1 PHE 703 HB2 0.05 0.12 0.31 -0.04 3.15 3.60 2pm7A1 PHE 703 HB3 0.12 -0.04 -0.05 -0.04 3.06 3.05 2pm7A1 PHE 703 HD2 0.16 0.21 -0.05 -0.04 7.28 7.57 2pm7A1 PHE 703 HE2 0.01 -0.03 -0.08 -0.04 7.38 7.24 2pm7A1 PHE 703 HZ 0.36 0.02 -0.09 -0.04 7.32 7.57 2pm7A1 LEU 704 H 0.18 0.63 0.02 -0.55 8.37 8.65 2pm7A1 LEU 704 HA 0.13 0.01 0.34 -0.75 4.35 4.08 2pm7A1 LEU 704 HB2 0.07 0.21 0.17 -0.04 1.64 2.05 2pm7A1 LEU 704 HB3 0.07 -0.08 -0.00 -0.04 1.64 1.59 2pm7A1 LEU 704 HG 0.10 0.17 -0.07 -0.04 1.64 1.80 2pm7A1 LEU 704 HD13 0.05 -0.04 -0.08 -0.04 0.93 0.82 2pm7A1 LEU 704 HD23 0.09 -0.01 -0.10 -0.04 0.89 0.84 2pm7A1 GLU 705 H 0.07 0.45 -0.31 -0.55 8.60 8.26 2pm7A1 GLU 705 HA 0.07 -0.03 0.35 -0.75 4.29 3.93 2pm7A1 GLU 705 HB2 0.04 0.20 0.11 -0.04 2.09 2.41 2pm7A1 GLU 705 HB3 0.13 -0.02 -0.04 -0.04 1.99 2.01 2pm7A1 GLU 705 HG2 0.09 -0.07 -0.00 -0.04 2.34 2.32 2pm7A1 GLU 705 HG3 0.05 0.15 0.00 -0.04 2.34 2.50 2pm7A1 PHE 706 H 0.12 0.46 -0.24 -0.55 8.34 8.12 2pm7A1 PHE 706 HA -0.11 0.04 0.45 -0.75 4.62 4.24 2pm7A1 PHE 706 HB2 -0.21 0.06 0.12 -0.04 3.15 3.09 2pm7A1 PHE 706 HB3 -0.28 0.14 0.12 -0.04 3.06 3.00 2pm7A1 PHE 706 HD2 -0.49 0.06 -0.03 -0.04 7.28 6.79 2pm7A1 PHE 706 HE2 -0.50 0.02 -0.02 -0.04 7.38 6.83 2pm7A1 PHE 706 HZ -0.14 -0.06 -0.02 -0.04 7.32 7.06 2pm7A1 ILE 707 H 0.04 0.48 -0.31 -0.55 8.25 7.91 2pm7A1 ILE 707 HA -0.18 0.01 0.40 -0.75 4.18 3.66 2pm7A1 ILE 707 HB 0.05 0.15 0.15 -0.04 1.89 2.20 2pm7A1 ILE 707 HG12 0.14 0.43 0.08 -0.04 1.49 2.09 2pm7A1 ILE 707 HG13 0.15 -0.06 -0.06 -0.04 1.21 1.20 2pm7A1 ILE 707 HG23 0.06 -0.03 -0.06 -0.04 0.93 0.86 2pm7A1 ILE 707 HD13 0.20 0.01 -0.10 -0.04 0.88 0.95 2pm7A1 ASN 708 H -0.01 0.46 -0.14 -0.55 8.53 8.30 2pm7A1 ASN 708 HA 0.01 -0.04 0.37 -0.75 4.76 4.36 2pm7A1 ASN 708 HB2 0.03 0.19 0.12 -0.04 2.88 3.18 2pm7A1 ASN 708 HB3 0.03 -0.05 0.01 -0.04 2.79 2.74 2pm7A1 ASN 708 HD21 0.04 -0.07 -0.06 -0.04 7.03 6.90 2pm7A1 ASN 708 HD22 0.05 0.02 -0.01 -0.04 7.74 7.75 2pm7A1 LEU 709 H -0.10 0.41 -0.22 -0.55 8.37 7.91 2pm7A1 LEU 709 HA -0.03 0.01 0.41 -0.75 4.35 3.99 2pm7A1 LEU 709 HB2 -0.22 0.12 0.09 -0.04 1.64 1.59 2pm7A1 LEU 709 HB3 -0.07 -0.02 0.05 -0.04 1.64 1.56 2pm7A1 LEU 709 HG 0.05 0.20 0.05 -0.04 1.64 1.90 2pm7A1 LEU 709 HD13 -0.01 -0.01 -0.02 -0.04 0.93 0.84 2pm7A1 LEU 709 HD23 0.19 -0.03 -0.04 -0.04 0.89 0.97 2pm7A1 THR 710 H -0.37 0.35 -0.53 -0.55 8.28 7.19 2pm7A1 THR 710 HA -0.36 0.02 0.46 -0.75 4.39 3.75 2pm7A1 THR 710 HB -0.32 0.16 0.28 -0.04 4.32 4.39 2pm7A1 THR 710 HG23 -0.23 -0.04 -0.08 -0.04 1.22 0.83 2pm7A1 THR 711 H -0.21 0.77 0.14 -0.55 8.28 8.43 2pm7A1 THR 711 HA -0.60 -0.01 0.21 -0.75 4.39 3.23 2pm7A1 THR 711 HB -0.66 -0.07 -0.01 -0.04 4.32 3.54 2pm7A1 THR 711 HG23 -0.05 0.03 -0.01 -0.04 1.22 1.15 2pm7A1 SER 712 H -0.18 0.52 -0.42 -0.55 8.46 7.84 2pm7A1 SER 712 HA -0.18 -0.13 0.21 -0.75 4.49 3.63 2pm7A1 SER 712 HB2 -0.13 -0.07 0.07 -0.04 3.95 3.77 2pm7A1 SER 712 HB3 -0.09 0.05 0.09 -0.04 3.93 3.93 2pm7A1 THR 713 H -0.22 0.45 -0.85 -0.55 8.28 7.11 2pm7A1 THR 713 HA -0.09 0.17 0.67 -0.75 4.39 4.39 2pm7A1 THR 713 HB -0.07 -0.15 -0.06 -0.04 4.32 3.99 2pm7A1 THR 713 HG23 -0.10 0.09 -0.04 -0.04 1.22 1.12 2pm7A1 GLY 714 H -0.34 0.59 -0.12 -0.55 8.43 8.01 2pm7A1 GLY 714 HA2 -0.29 0.09 0.39 -0.51 4.01 3.69 2pm7A1 GLY 714 HA3 -0.06 0.17 0.71 -0.51 4.01 4.32 2pm7A1 ASN 715 H -0.20 0.21 -0.31 -0.55 8.53 7.68 2pm7A1 ASN 715 HA 0.01 0.10 0.53 -0.75 4.76 4.65 2pm7A1 ASN 715 HB2 -0.05 0.06 0.05 -0.04 2.88 2.89 2pm7A1 ASN 715 HB3 -0.10 0.04 0.17 -0.04 2.79 2.85 2pm7A1 ASN 715 HD21 0.04 0.05 -0.05 -0.04 7.03 7.03 2pm7A1 ASN 715 HD22 0.01 -0.02 -0.10 -0.04 7.74 7.58 2pm7A1 PHE 716 H 0.29 0.52 0.24 -0.55 8.34 8.84 2pm7A1 PHE 716 HA 0.01 0.06 0.44 -0.75 4.62 4.38 2pm7A1 PHE 716 HB2 0.02 0.04 0.08 -0.04 3.15 3.24 2pm7A1 PHE 716 HB3 0.05 0.04 0.07 -0.04 3.06 3.18 2pm7A1 PHE 716 HD2 0.04 0.05 0.12 -0.04 7.28 7.43 2pm7A1 PHE 716 HE2 -0.12 0.00 0.01 -0.04 7.38 7.23 2pm7A1 PHE 716 HZ -0.40 0.00 -0.06 -0.04 7.32 6.82 2pm7A1 GLU 717 H 0.14 0.10 -0.18 -0.55 8.60 8.11 2pm7A1 GLU 717 HA 0.12 0.15 0.46 -0.75 4.29 4.27 2pm7A1 GLU 717 HB2 0.09 0.02 0.08 -0.04 2.09 2.25 2pm7A1 GLU 717 HB3 0.08 -0.01 -0.02 -0.04 1.99 2.01 2pm7A1 GLU 717 HG2 0.07 0.03 -0.06 -0.04 2.34 2.34 2pm7A1 GLU 717 HG3 0.07 0.03 0.04 -0.04 2.34 2.44 2pm7A1 LEU 718 H 0.08 0.12 -0.25 -0.55 8.37 7.78 2pm7A1 LEU 718 HA 0.19 0.16 0.50 -0.75 4.35 4.45 2pm7A1 LEU 718 HB2 0.11 -0.02 0.05 -0.04 1.64 1.75 2pm7A1 LEU 718 HB3 0.05 0.08 0.06 -0.04 1.64 1.78 2pm7A1 LEU 718 HG 0.38 0.01 -0.17 -0.04 1.64 1.82 2pm7A1 LEU 718 HD13 0.40 0.00 -0.07 -0.04 0.93 1.22 2pm7A1 LEU 718 HD23 0.13 0.02 -0.02 -0.04 0.89 0.98 2pm7A1 ALA 719 H 0.06 0.29 -0.20 -0.55 8.40 7.99 2pm7A1 ALA 719 HA 0.09 0.05 0.34 -0.75 4.34 4.06 2pm7A1 ALA 719 HB3 0.02 0.04 0.07 -0.04 1.41 1.49 2pm7A1 THR 720 H 0.15 0.50 -0.25 -0.55 8.28 8.13 2pm7A1 THR 720 HA 0.14 0.02 0.37 -0.75 4.39 4.16 2pm7A1 THR 720 HB 0.11 0.08 0.05 -0.04 4.32 4.52 2pm7A1 THR 720 HG23 0.09 -0.01 -0.05 -0.04 1.22 1.21 2pm7A1 GLU 721 H 0.16 0.29 -0.41 -0.55 8.60 8.09 2pm7A1 GLU 721 HA 0.07 0.00 0.33 -0.75 4.29 3.94 2pm7A1 GLU 721 HB2 0.15 0.09 0.30 -0.04 2.09 2.59 2pm7A1 GLU 721 HB3 0.15 0.04 0.11 -0.04 1.99 2.25 2pm7A1 GLU 721 HG2 0.03 -0.04 0.01 -0.04 2.34 2.30 2pm7A1 GLU 721 HG3 -0.04 0.01 -0.01 -0.04 2.34 2.26 2pm7A1 PHE 722 H 0.50 0.50 -0.16 -0.55 8.34 8.63 2pm7A1 PHE 722 HA 0.22 0.05 0.42 -0.75 4.62 4.56 2pm7A1 PHE 722 HB2 0.23 0.06 0.05 -0.04 3.15 3.44 2pm7A1 PHE 722 HB3 0.39 -0.04 -0.07 -0.04 3.06 3.29 2pm7A1 PHE 722 HD2 0.38 0.16 -0.01 -0.04 7.28 7.77 2pm7A1 PHE 722 HE2 0.17 -0.02 -0.08 -0.04 7.38 7.41 2pm7A1 PHE 722 HZ 0.16 -0.03 -0.09 -0.04 7.32 7.32 2pm7A1 LEU 723 H 0.25 0.48 -0.23 -0.55 8.37 8.32 2pm7A1 LEU 723 HA 0.18 -0.07 0.36 -0.75 4.35 4.06 2pm7A1 LEU 723 HB2 0.14 0.10 0.26 -0.04 1.64 2.10 2pm7A1 LEU 723 HB3 0.11 -0.05 -0.02 -0.04 1.64 1.64 2pm7A1 LEU 723 HG 0.16 0.31 -0.08 -0.04 1.64 2.00 2pm7A1 LEU 723 HD13 0.13 -0.06 -0.17 -0.04 0.93 0.80 2pm7A1 LEU 723 HD23 0.12 -0.03 -0.10 -0.04 0.89 0.84 2pm7A1 ASN 724 H 0.10 0.65 -0.10 -0.55 8.53 8.64 2pm7A1 ASN 724 HA 0.05 -0.03 0.34 -0.75 4.76 4.37 2pm7A1 ASN 724 HB2 0.04 0.16 0.10 -0.04 2.88 3.14 2pm7A1 ASN 724 HB3 0.03 -0.06 0.01 -0.04 2.79 2.73 2pm7A1 ASN 724 HD21 0.06 -0.12 -0.11 -0.04 7.03 6.81 2pm7A1 ASN 724 HD22 0.05 0.05 -0.03 -0.04 7.74 7.77 2pm7A1 SER 725 H 0.07 0.25 -0.28 -0.55 8.46 7.94 2pm7A1 SER 725 HA 0.00 -0.01 0.35 -0.75 4.49 4.07 2pm7A1 SER 725 HB2 0.00 -0.07 0.10 -0.04 3.95 3.94 2pm7A1 SER 725 HB3 -0.00 -0.01 0.11 -0.04 3.93 3.99 2pm7A1 LEU 726 H 0.05 0.46 -0.65 -0.55 8.37 7.68 2pm7A1 LEU 726 HA -0.08 0.08 0.71 -0.75 4.35 4.31 2pm7A1 LEU 726 HB2 0.06 0.18 0.07 -0.04 1.64 1.91 2pm7A1 LEU 726 HB3 0.01 -0.14 0.07 -0.04 1.64 1.54 2pm7A1 LEU 726 HG 0.14 0.29 -0.04 -0.04 1.64 1.99 2pm7A1 LEU 726 HD13 0.16 -0.06 -0.08 -0.04 0.93 0.90 2pm7A1 LEU 726 HD23 -0.18 -0.03 -0.05 -0.04 0.89 0.59 2pm7A1 PRO 727 HA -0.00 0.11 0.55 -0.51 4.44 4.59 2pm7A1 PRO 727 HB2 -0.00 -0.21 0.09 -0.04 2.28 2.12 2pm7A1 PRO 727 HB3 -0.01 0.22 0.18 -0.04 2.02 2.36 2pm7A1 PRO 727 HG2 -0.00 -0.17 0.19 -0.04 2.03 2.01 2pm7A1 PRO 727 HG3 -0.02 0.06 0.12 -0.04 2.03 2.15 2pm7A1 PRO 727 HD2 -0.03 -0.01 0.24 -0.04 3.68 3.84 2pm7A1 PRO 727 HD3 -0.05 0.34 0.26 -0.04 3.65 4.16 2pm7A1 SER 728 H 0.01 0.25 0.21 -0.55 8.46 8.38 2pm7A1 SER 728 HA 0.02 0.13 0.36 -0.75 4.49 4.25 2pm7A1 SER 728 HB2 0.01 -0.03 0.14 -0.04 3.95 4.03 2pm7A1 SER 728 HB3 0.02 0.14 0.13 -0.04 3.93 4.17 2pm7A1 ASP 729 H 0.00 0.00 -0.98 -0.55 8.40 6.88 2pm7A1 ASP 729 HA 0.01 0.16 0.62 -0.75 4.63 4.67 2pm7A1 ASP 729 HB2 0.00 0.01 -0.08 -0.04 2.71 2.59 2pm7A1 ASP 729 HB3 0.00 0.00 0.06 -0.04 2.70 2.73 2pm7A1 ASN 730 H 0.01 0.56 -0.12 -0.55 8.53 8.43 2pm7A1 ASN 730 HA 0.01 0.08 0.69 -0.75 4.76 4.78 2pm7A1 ASN 730 HB2 0.01 0.08 0.11 -0.04 2.88 3.03 2pm7A1 ASN 730 HB3 0.02 0.13 0.19 -0.04 2.79 3.08 2pm7A1 ASN 730 HD21 0.01 -0.01 -0.01 -0.04 7.03 6.98 2pm7A1 ASN 730 HD22 0.01 0.09 0.01 -0.04 7.74 7.81 2pm7A1 GLU 731 H 0.01 0.25 0.18 -0.55 8.60 8.50 2pm7A1 GLU 731 HA 0.01 0.13 0.35 -0.75 4.29 4.03 2pm7A1 GLU 731 HB2 0.01 0.02 0.01 -0.04 2.09 2.09 2pm7A1 GLU 731 HB3 0.01 0.11 0.11 -0.04 1.99 2.17 2pm7A1 GLU 731 HG2 0.01 -0.04 0.20 -0.04 2.34 2.46 2pm7A1 GLU 731 HG3 0.01 -0.03 0.04 -0.04 2.34 2.32 2pm7A1 GLU 732 H 0.01 0.13 -0.12 -0.55 8.60 8.09 2pm7A1 GLU 732 HA 0.01 0.08 0.41 -0.75 4.29 4.04 2pm7A1 GLU 732 HB2 0.02 -0.03 0.04 -0.04 2.09 2.09 2pm7A1 GLU 732 HB3 0.03 0.07 -0.07 -0.04 1.99 1.98 2pm7A1 GLU 732 HG2 0.01 0.02 0.03 -0.04 2.34 2.37 2pm7A1 GLU 732 HG3 0.01 -0.03 0.04 -0.04 2.34 2.32 2pm7A1 VAL 733 H 0.03 0.08 -0.43 -0.55 8.24 7.37 2pm7A1 VAL 733 HA 0.05 0.04 0.39 -0.75 4.13 3.87 2pm7A1 VAL 733 HB 0.03 0.28 0.12 -0.04 2.12 2.50 2pm7A1 VAL 733 HG13 0.05 0.01 -0.20 -0.04 0.97 0.80 2pm7A1 VAL 733 HG23 0.04 -0.04 -0.00 -0.04 0.95 0.90 2pm7A1 LYS 734 H 0.02 0.26 -0.21 -0.55 8.42 7.94 2pm7A1 LYS 734 HA 0.03 0.08 0.42 -0.75 4.32 4.08 2pm7A1 LYS 734 HB2 0.02 0.08 -0.07 -0.04 1.87 1.85 2pm7A1 LYS 734 HB3 0.01 0.03 0.28 -0.04 1.79 2.07 2pm7A1 LYS 734 HG2 0.01 -0.03 -0.29 -0.04 1.46 1.11 2pm7A1 LYS 734 HG3 0.01 0.01 -0.03 -0.04 1.46 1.42 2pm7A1 LYS 734 HD2 0.01 0.04 -0.05 -0.04 1.69 1.65 2pm7A1 LYS 734 HD3 0.01 -0.07 0.00 -0.04 1.68 1.58 2pm7A1 LYS 734 HE2 0.01 -0.02 -0.05 -0.04 2.99 2.89 2pm7A1 LYS 734 HE3 0.01 0.02 -0.03 -0.04 2.99 2.95 2pm7A1 THR 735 H 0.01 0.88 0.09 -0.55 8.28 8.71 2pm7A1 THR 735 HA 0.00 0.02 0.41 -0.75 4.39 4.07 2pm7A1 THR 735 HB 0.00 0.06 0.11 -0.04 4.32 4.44 2pm7A1 THR 735 HG23 -0.02 -0.02 -0.04 -0.04 1.22 1.10 2pm7A1 GLU 736 H 0.03 0.53 -0.23 -0.55 8.60 8.37 2pm7A1 GLU 736 HA 0.01 -0.02 0.42 -0.75 4.29 3.95 2pm7A1 GLU 736 HB2 0.06 0.13 0.07 -0.04 2.09 2.31 2pm7A1 GLU 736 HB3 0.07 -0.06 0.01 -0.04 1.99 1.98 2pm7A1 GLU 736 HG2 0.03 0.27 0.13 -0.04 2.34 2.72 2pm7A1 GLU 736 HG3 0.05 -0.04 -0.00 -0.04 2.34 2.30 2pm7A1 LYS 737 H 0.05 0.37 -0.47 -0.55 8.42 7.81 2pm7A1 LYS 737 HA 0.08 0.01 0.40 -0.75 4.32 4.06 2pm7A1 LYS 737 HB2 0.04 0.21 0.25 -0.04 1.87 2.32 2pm7A1 LYS 737 HB3 0.04 -0.06 -0.03 -0.04 1.79 1.71 2pm7A1 LYS 737 HG2 0.07 -0.08 -0.01 -0.04 1.46 1.40 2pm7A1 LYS 737 HG3 0.07 0.06 -0.02 -0.04 1.46 1.53 2pm7A1 LYS 737 HD2 0.04 0.01 -0.08 -0.04 1.69 1.62 2pm7A1 LYS 737 HD3 0.04 -0.06 -0.03 -0.04 1.68 1.59 2pm7A1 LYS 737 HE2 0.05 -0.06 -0.09 -0.04 2.99 2.85 2pm7A1 LYS 737 HE3 0.05 0.13 -0.26 -0.04 2.99 2.88 2pm7A1 ALA 738 H 0.03 0.47 -0.08 -0.55 8.40 8.27 2pm7A1 ALA 738 HA 0.03 0.01 0.38 -0.75 4.34 4.01 2pm7A1 ALA 738 HB3 0.01 0.03 0.11 -0.04 1.41 1.53 2pm7A1 ARG 739 H 0.01 0.57 -0.11 -0.55 8.46 8.38 2pm7A1 ARG 739 HA -0.01 0.00 0.33 -0.75 4.34 3.90 2pm7A1 ARG 739 HB2 -0.10 0.05 0.10 -0.04 1.90 1.91 2pm7A1 ARG 739 HB3 -0.05 0.04 0.13 -0.04 1.80 1.88 2pm7A1 ARG 739 HG2 -0.34 0.00 -0.30 -0.04 1.67 0.98 2pm7A1 ARG 739 HG3 -0.29 -0.02 -0.01 -0.04 1.67 1.30 2pm7A1 ARG 739 HD2 -0.36 -0.00 -0.03 -0.04 3.22 2.79 2pm7A1 ARG 739 HD3 -0.67 -0.00 -0.05 -0.04 3.22 2.46 2pm7A1 VAL 740 H 0.14 0.64 -0.09 -0.55 8.24 8.38 2pm7A1 VAL 740 HA 0.56 -0.03 0.36 -0.75 4.13 4.27 2pm7A1 VAL 740 HB 0.20 0.12 0.07 -0.04 2.12 2.47 2pm7A1 VAL 740 HG13 0.43 -0.04 -0.01 -0.04 0.97 1.31 2pm7A1 VAL 740 HG23 0.28 0.06 0.04 -0.04 0.95 1.29 2pm7A1 LEU 741 H 0.10 0.52 -0.38 -0.55 8.37 8.06 2pm7A1 LEU 741 HA 0.06 -0.02 0.41 -0.75 4.35 4.05 2pm7A1 LEU 741 HB2 0.05 0.08 0.13 -0.04 1.64 1.87 2pm7A1 LEU 741 HB3 0.04 0.19 0.28 -0.04 1.64 2.11 2pm7A1 LEU 741 HG 0.02 -0.01 -0.17 -0.04 1.64 1.44 2pm7A1 LEU 741 HD13 0.03 -0.02 0.00 -0.04 0.93 0.90 2pm7A1 LEU 741 HD23 0.02 -0.01 -0.01 -0.04 0.89 0.85 2pm7A1 ILE 742 H 0.03 0.60 0.09 -0.55 8.25 8.43 2pm7A1 ILE 742 HA -0.00 0.01 0.35 -0.75 4.18 3.79 2pm7A1 ILE 742 HB 0.02 0.07 0.08 -0.04 1.89 2.02 2pm7A1 ILE 742 HG12 0.01 -0.03 0.05 -0.04 1.49 1.47 2pm7A1 ILE 742 HG13 0.02 0.16 0.13 -0.04 1.21 1.47 2pm7A1 ILE 742 HG23 0.01 -0.01 -0.08 -0.04 0.93 0.81 2pm7A1 ILE 742 HD13 0.00 -0.03 -0.03 -0.04 0.88 0.78 2pm7A1 ALA 743 H 0.06 0.53 -0.38 -0.55 8.40 8.07 2pm7A1 ALA 743 HA -0.02 -0.00 0.37 -0.75 4.34 3.93 2pm7A1 ALA 743 HB3 0.19 -0.02 0.02 -0.04 1.41 1.56 2pm7A1 SER 744 H -0.16 0.47 -0.21 -0.55 8.46 8.02 2pm7A1 SER 744 HA -0.45 0.08 0.75 -0.75 4.49 4.12 2pm7A1 SER 744 HB2 -0.07 -0.12 0.01 -0.04 3.95 3.73 2pm7A1 SER 744 HB3 -0.19 -0.11 0.08 -0.04 3.93 3.67 2pm7A1 GLY 745 H -0.06 0.86 0.09 -0.55 8.43 8.78 2pm7A1 GLY 745 HA2 -0.03 0.02 0.24 -0.51 4.01 3.73 2pm7A1 GLY 745 HA3 -0.02 -0.02 0.16 -0.51 4.01 3.62