============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. PHE 5 1.000 109.877 -66.412 16.149 -99.200 -91.000 TYR 31 0.840 116.893 -51.041 35.343 -99.200 -91.000 HIS 32 0.900 117.288 -51.222 40.869 -99.200 -91.000 HIS 45 0.900 125.880 -70.475 13.579 -99.200 -91.000 PHE 48 1.000 118.842 -69.651 17.215 -99.200 -91.000 PHE 49 1.000 110.374 -66.375 23.557 -99.200 -91.000 PHE 61 1.000 121.101 -67.638 27.125 -99.200 -91.000 TRP 64 1.040 126.837 -66.711 24.330 -99.200 -91.000 TRP6 64 1.020 124.966 -65.248 24.271 -99.200 -91.000 PHE 75 1.000 116.594 -49.372 23.027 -99.200 -91.000 TRP 86 1.040 117.923 -56.295 41.489 -99.200 -91.000 TRP6 86 1.020 117.576 -56.239 43.830 -99.200 -91.000 PHE 95 1.000 125.170 -50.494 18.441 -99.200 -91.000 TYR 102 0.840 121.670 -39.302 25.743 -99.200 -91.000 TYR 122 0.840 115.025 -53.107 10.829 -99.200 -91.000 TYR 132 0.840 105.893 -55.592 25.975 -99.200 -91.000 HIS 149 0.900 108.083 -56.063 20.728 -99.200 -91.000 TRP 158 1.040 122.469 -59.820 12.829 -99.200 -91.000 TRP6 158 1.020 124.381 -60.539 14.037 -99.200 -91.000 PHE 164 1.000 121.150 -46.144 15.163 -99.200 -91.000 PHE 193 1.000 122.719 -56.470 42.577 -99.200 -91.000 TYR 222 0.840 95.087 -23.681 58.353 -99.200 -91.000 PHE 229 1.000 95.375 -20.520 53.265 -99.200 -91.000 PHE 242 1.000 99.146 -12.377 45.661 -99.200 -91.000 TYR 257 0.840 95.564 -13.225 42.050 -99.200 -91.000 TYR 270 0.840 103.889 -4.508 50.509 -99.200 -91.000 HIS 271 0.900 99.745 -10.408 57.083 -99.200 -91.000 HIS 279 0.900 109.216 -22.894 59.736 -99.200 -91.000 TYR 280 0.840 102.427 -25.993 55.134 -99.200 -91.000 TYR 290 0.840 114.251 -33.986 49.502 -99.200 -91.000 HIS 306 0.900 118.869 -51.605 45.685 -99.200 -91.000 PHE 309 1.000 122.918 -42.729 39.422 -99.200 -91.000 PHE 343 1.000 120.327 -40.656 51.556 -99.200 -91.000 TRP 350 1.040 132.739 -51.237 54.673 -99.200 -91.000 TRP6 350 1.020 132.577 -51.435 52.321 -99.200 -91.000 PHE 353 1.000 136.991 -39.614 49.563 -99.200 -91.000 TYR 357 0.840 135.476 -32.753 38.509 -99.200 -91.000 HIS 367 0.900 139.729 -25.921 27.381 -99.200 -91.000 PHE 378 1.000 138.036 -20.557 37.300 -99.200 -91.000 HIS 385 0.900 131.247 -18.340 42.569 -99.200 -91.000 PHE 393 1.000 128.193 -6.201 44.758 -99.200 -91.000 TYR 413 0.840 127.823 -21.253 38.405 -99.200 -91.000 TYR 417 0.840 125.455 -21.049 31.753 -99.200 -91.000 TYR 422 0.840 111.601 -8.500 34.984 -99.200 -91.000 PHE 438 1.000 125.590 -5.678 40.657 -99.200 -91.000 TYR 442 0.840 130.577 -11.968 33.821 -99.200 -91.000 PHE 443 1.000 128.258 -9.453 28.902 -99.200 -91.000 PHE 446 1.000 135.314 -12.097 34.632 -99.200 -91.000 TYR 452 0.840 130.616 -19.863 25.097 -99.200 -91.000 TYR 465 0.840 126.653 -29.754 14.537 -99.200 -91.000 HIS 471 0.900 135.238 -34.459 19.471 -99.200 -91.000 TYR 475 0.840 122.030 -32.589 15.384 -99.200 -91.000 PHE 484 1.000 113.429 -11.218 22.085 -99.200 -91.000 PHE 489 1.000 112.219 -19.454 26.399 -99.200 -91.000 HIS 526 0.900 130.690 -50.266 46.908 -99.200 -91.000 HIS 532 0.900 123.198 -33.579 38.042 -99.200 -91.000 TYR 569 0.840 140.640 -34.387 49.112 -99.200 -91.000 HIS 570 0.900 135.435 -32.021 52.783 -99.200 -91.000 TYR 571 0.840 138.047 -39.218 56.003 -99.200 -91.000 TRP 575 1.040 126.038 -37.348 50.832 -99.200 -91.000 TRP6 575 1.020 124.130 -37.583 49.459 -99.200 -91.000 TYR 576 0.840 124.996 -33.051 59.045 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hp6A1 ALA 297 HA -0.01 -0.04 0.11 -0.75 4.34 3.65 3hp6A1 ALA 297 HB3 -0.02 -0.03 0.01 -0.04 1.41 1.33 3hp6A1 LYS 298 H -0.00 0.14 0.07 -0.55 8.42 8.07 3hp6A1 LYS 298 HA 0.01 0.17 0.88 -0.75 4.32 4.63 3hp6A1 LYS 298 HB2 -0.00 0.01 -0.02 -0.04 1.87 1.81 3hp6A1 LYS 298 HB3 -0.00 -0.02 0.12 -0.04 1.79 1.85 3hp6A1 LYS 298 HG2 -0.01 -0.03 -0.08 -0.04 1.46 1.30 3hp6A1 LYS 298 HG3 -0.00 -0.00 -0.15 -0.04 1.46 1.26 3hp6A1 LYS 298 HD2 -0.01 -0.01 -0.04 -0.04 1.69 1.59 3hp6A1 LYS 298 HD3 -0.02 -0.02 -0.04 -0.04 1.68 1.55 3hp6A1 LYS 298 HE2 -0.02 -0.03 -0.02 -0.04 2.99 2.89 3hp6A1 LYS 298 HE3 -0.01 -0.00 -0.00 -0.04 2.99 2.94 3hp6A1 MET 299 H 0.05 0.26 0.03 -0.55 8.47 8.26 3hp6A1 MET 299 HA 0.04 0.13 0.84 -0.75 4.52 4.77 3hp6A1 MET 299 HB2 0.05 0.03 -0.16 -0.04 2.15 2.03 3hp6A1 MET 299 HB3 0.09 -0.01 0.05 -0.04 2.03 2.11 3hp6A1 MET 299 HG2 0.10 0.08 -0.28 -0.04 2.63 2.48 3hp6A1 MET 299 HG3 0.06 0.01 -0.00 -0.04 2.56 2.58 3hp6A1 MET 299 HE3 0.09 0.02 -0.04 -0.04 2.10 2.12 3hp6A1 ALA 300 H 0.02 0.14 0.06 -0.55 8.40 8.08 3hp6A1 ALA 300 HA -0.06 0.07 0.58 -0.75 4.34 4.17 3hp6A1 ALA 300 HB3 -0.04 0.01 0.07 -0.04 1.41 1.40 3hp6A1 PHE 301 H -0.33 0.26 0.25 -0.55 8.34 7.97 3hp6A1 PHE 301 HA -0.17 0.09 0.45 -0.75 4.62 4.24 3hp6A1 PHE 301 HB2 -0.10 0.01 -0.15 -0.04 3.15 2.86 3hp6A1 PHE 301 HB3 -0.08 0.11 -0.16 -0.04 3.06 2.88 3hp6A1 PHE 301 HD2 -0.01 0.12 -0.41 -0.04 7.28 6.95 3hp6A1 PHE 301 HE2 -0.04 -0.01 -0.09 -0.04 7.38 7.20 3hp6A1 PHE 301 HZ -0.09 0.01 -0.09 -0.04 7.32 7.11 3hp6A1 THR 302 H -0.03 0.87 0.41 -0.55 8.28 8.99 3hp6A1 THR 302 HA -0.04 0.12 0.89 -0.75 4.39 4.61 3hp6A1 THR 302 HB 0.27 -0.05 0.24 -0.04 4.32 4.74 3hp6A1 THR 302 HG23 0.12 -0.01 -0.12 -0.04 1.22 1.17 3hp6A1 LEU 303 H -0.01 0.23 0.11 -0.55 8.37 8.15 3hp6A1 LEU 303 HA 0.39 0.10 0.82 -0.75 4.35 4.91 3hp6A1 LEU 303 HB2 0.01 0.01 0.15 -0.04 1.64 1.77 3hp6A1 LEU 303 HB3 0.08 0.00 0.22 -0.04 1.64 1.90 3hp6A1 LEU 303 HG 0.30 -0.01 0.03 -0.04 1.64 1.91 3hp6A1 LEU 303 HD13 0.02 -0.00 -0.01 -0.04 0.93 0.89 3hp6A1 LEU 303 HD23 0.24 0.02 -0.08 -0.04 0.89 1.03 3hp6A1 ALA 304 H 0.20 0.52 0.19 -0.55 8.40 8.77 3hp6A1 ALA 304 HA 0.07 0.01 0.29 -0.75 4.34 3.96 3hp6A1 ALA 304 HB3 0.05 0.03 0.04 -0.04 1.41 1.49 3hp6A1 ASP 305 H 0.01 0.10 0.21 -0.55 8.40 8.18 3hp6A1 ASP 305 HA 0.01 0.17 0.86 -0.75 4.63 4.91 3hp6A1 ASP 305 HB2 -0.00 -0.02 0.10 -0.04 2.71 2.75 3hp6A1 ASP 305 HB3 -0.00 0.01 0.09 -0.04 2.70 2.75 3hp6A1 ARG 306 H -0.04 0.15 0.08 -0.55 8.46 8.11 3hp6A1 ARG 306 HA -0.07 0.14 0.67 -0.75 4.34 4.33 3hp6A1 ARG 306 HB2 -0.04 0.06 0.04 -0.04 1.90 1.92 3hp6A1 ARG 306 HB3 -0.03 0.05 -0.22 -0.04 1.80 1.56 3hp6A1 ARG 306 HG2 -0.03 -0.13 -0.05 -0.04 1.67 1.42 3hp6A1 ARG 306 HG3 -0.05 0.05 -0.40 -0.04 1.67 1.23 3hp6A1 ARG 306 HD2 -0.03 0.04 -0.06 -0.04 3.22 3.14 3hp6A1 ARG 306 HD3 -0.02 -0.02 -0.06 -0.04 3.22 3.08 3hp6A1 VAL 307 H -0.09 0.16 0.07 -0.55 8.24 7.82 3hp6A1 VAL 307 HA -0.19 0.07 0.56 -0.75 4.13 3.81 3hp6A1 VAL 307 HB -0.06 -0.03 0.06 -0.04 2.12 2.05 3hp6A1 VAL 307 HG13 -0.05 0.00 -0.20 -0.04 0.97 0.68 3hp6A1 VAL 307 HG23 -0.21 0.02 -0.04 -0.04 0.95 0.67 3hp6A1 THR 308 H -0.23 0.17 0.16 -0.55 8.28 7.83 3hp6A1 THR 308 HA -0.10 0.24 0.80 -0.75 4.39 4.57 3hp6A1 THR 308 HB -0.11 -0.04 0.09 -0.04 4.32 4.21 3hp6A1 THR 308 HG23 -0.08 0.06 -0.18 -0.04 1.22 0.99 3hp6A1 GLU 309 H -0.10 0.20 0.10 -0.55 8.60 8.24 3hp6A1 GLU 309 HA -0.12 0.14 0.29 -0.75 4.29 3.85 3hp6A1 GLU 309 HB2 -0.06 0.04 0.08 -0.04 2.09 2.11 3hp6A1 GLU 309 HB3 -0.09 -0.03 0.09 -0.04 1.99 1.92 3hp6A1 GLU 309 HG2 -0.05 0.01 -0.07 -0.04 2.34 2.19 3hp6A1 GLU 309 HG3 -0.07 0.00 -0.30 -0.04 2.34 1.93 3hp6A1 GLU 310 H -0.18 0.07 -0.20 -0.55 8.60 7.74 3hp6A1 GLU 310 HA -0.15 0.14 0.37 -0.75 4.29 3.90 3hp6A1 GLU 310 HB2 -0.28 0.02 0.05 -0.04 2.09 1.84 3hp6A1 GLU 310 HB3 -0.32 0.02 0.04 -0.04 1.99 1.69 3hp6A1 GLU 310 HG2 -0.13 -0.08 -0.03 -0.04 2.34 2.05 3hp6A1 GLU 310 HG3 -0.18 0.03 -0.21 -0.04 2.34 1.93 3hp6A1 MET 311 H -0.40 0.23 -0.48 -0.55 8.47 7.28 3hp6A1 MET 311 HA -0.60 0.06 0.45 -0.75 4.52 3.68 3hp6A1 MET 311 HB2 -0.43 0.18 0.02 -0.04 2.15 1.88 3hp6A1 MET 311 HB3 -0.51 0.02 0.02 -0.04 2.03 1.52 3hp6A1 MET 311 HG2 -1.85 0.03 -0.07 -0.04 2.63 0.70 3hp6A1 MET 311 HG3 -0.94 -0.11 -0.05 -0.04 2.56 1.43 3hp6A1 MET 311 HE3 -0.19 0.07 0.03 -0.04 2.10 1.97 3hp6A1 LEU 312 H -0.29 0.46 -0.49 -0.55 8.37 7.51 3hp6A1 LEU 312 HA -1.39 0.25 0.75 -0.75 4.35 3.20 3hp6A1 LEU 312 HB2 -0.15 -0.00 0.11 -0.04 1.64 1.55 3hp6A1 LEU 312 HB3 -0.35 0.05 0.07 -0.04 1.64 1.37 3hp6A1 LEU 312 HG -0.29 -0.01 -0.18 -0.04 1.64 1.12 3hp6A1 LEU 312 HD13 -0.06 -0.02 -0.20 -0.04 0.93 0.61 3hp6A1 LEU 312 HD23 -0.39 0.03 -0.29 -0.04 0.89 0.20 3hp6A1 ALA 313 H -0.10 0.13 -0.42 -0.55 8.40 7.47 3hp6A1 ALA 313 HA 0.13 0.05 0.50 -0.75 4.34 4.26 3hp6A1 ALA 313 HB3 0.09 0.00 0.10 -0.04 1.41 1.57 3hp6A1 ASP 314 H 0.15 0.06 0.15 -0.55 8.40 8.21 3hp6A1 ASP 314 HA 0.24 0.22 0.55 -0.75 4.63 4.89 3hp6A1 ASP 314 HB2 0.08 0.18 0.26 -0.04 2.71 3.20 3hp6A1 ASP 314 HB3 0.11 -0.01 0.09 -0.04 2.70 2.86 3hp6A1 LYS 315 H 0.20 0.02 -0.31 -0.55 8.42 7.78 3hp6A1 LYS 315 HA 0.21 0.35 0.62 -0.75 4.32 4.74 3hp6A1 LYS 315 HB2 0.15 0.09 0.06 -0.04 1.87 2.13 3hp6A1 LYS 315 HB3 0.23 -0.14 0.09 -0.04 1.79 1.93 3hp6A1 LYS 315 HG2 0.19 -0.06 -0.04 -0.04 1.46 1.51 3hp6A1 LYS 315 HG3 0.61 0.01 -0.29 -0.04 1.46 1.75 3hp6A1 LYS 315 HD2 0.18 0.08 -0.05 -0.04 1.69 1.86 3hp6A1 LYS 315 HD3 0.08 0.02 0.02 -0.04 1.68 1.76 3hp6A1 LYS 315 HE2 -0.13 -0.03 -0.05 -0.04 2.99 2.75 3hp6A1 LYS 315 HE3 -0.13 -0.02 -0.09 -0.04 2.99 2.71 3hp6A1 ALA 316 H 0.32 0.64 0.29 -0.55 8.40 9.10 3hp6A1 ALA 316 HA 0.09 0.10 0.83 -0.75 4.34 4.61 3hp6A1 ALA 316 HB3 0.32 0.02 -0.11 -0.04 1.41 1.60 3hp6A1 ALA 317 H 0.05 0.69 0.42 -0.55 8.40 9.02 3hp6A1 ALA 317 HA 0.28 0.17 1.05 -0.75 4.34 5.08 3hp6A1 ALA 317 HB3 0.28 -0.05 0.16 -0.04 1.41 1.76 3hp6A1 LEU 318 H 0.17 0.68 0.31 -0.55 8.37 8.99 3hp6A1 LEU 318 HA 0.19 0.32 1.08 -0.75 4.35 5.19 3hp6A1 LEU 318 HB2 0.37 0.06 -0.15 -0.04 1.64 1.88 3hp6A1 LEU 318 HB3 0.15 -0.03 0.01 -0.04 1.64 1.73 3hp6A1 LEU 318 HG 0.16 -0.12 -0.41 -0.04 1.64 1.23 3hp6A1 LEU 318 HD13 0.42 0.04 -0.07 -0.04 0.93 1.28 3hp6A1 LEU 318 HD23 0.06 0.01 -0.14 -0.04 0.89 0.78 3hp6A1 VAL 319 H 0.12 0.70 0.33 -0.55 8.24 8.84 3hp6A1 VAL 319 HA 0.08 0.09 0.85 -0.75 4.13 4.39 3hp6A1 VAL 319 HB 0.05 -0.04 0.20 -0.04 2.12 2.28 3hp6A1 VAL 319 HG13 0.04 -0.01 -0.13 -0.04 0.97 0.83 3hp6A1 VAL 319 HG23 0.03 0.00 -0.14 -0.04 0.95 0.80 3hp6A1 VAL 320 H 0.06 0.22 0.02 -0.55 8.24 7.99 3hp6A1 VAL 320 HA 0.07 0.18 0.85 -0.75 4.13 4.48 3hp6A1 VAL 320 HB 0.04 -0.05 0.17 -0.04 2.12 2.23 3hp6A1 VAL 320 HG13 0.05 0.03 -0.09 -0.04 0.97 0.91 3hp6A1 VAL 320 HG23 0.12 0.01 -0.18 -0.04 0.95 0.86 3hp6A1 GLU 321 H 0.06 0.55 0.14 -0.55 8.60 8.81 3hp6A1 GLU 321 HA 0.06 0.04 0.23 -0.75 4.29 3.86 3hp6A1 GLU 321 HB2 0.10 -0.03 -0.05 -0.04 2.09 2.07 3hp6A1 GLU 321 HB3 0.10 -0.03 0.11 -0.04 1.99 2.13 3hp6A1 GLU 321 HG2 0.20 -0.00 -0.15 -0.04 2.34 2.35 3hp6A1 GLU 321 HG3 0.05 0.03 -0.37 -0.04 2.34 2.00 3hp6A1 VAL 322 H 0.03 0.22 0.18 -0.55 8.24 8.12 3hp6A1 VAL 322 HA 0.01 0.23 0.95 -0.75 4.13 4.56 3hp6A1 VAL 322 HB 0.02 -0.05 0.12 -0.04 2.12 2.17 3hp6A1 VAL 322 HG13 0.05 0.07 -0.12 -0.04 0.97 0.93 3hp6A1 VAL 322 HG23 0.01 0.06 -0.16 -0.04 0.95 0.82 3hp6A1 VAL 323 H -0.06 0.19 0.07 -0.55 8.24 7.88 3hp6A1 VAL 323 HA -0.20 0.09 0.46 -0.75 4.13 3.72 3hp6A1 VAL 323 HB -0.17 0.02 0.03 -0.04 2.12 1.96 3hp6A1 VAL 323 HG13 -0.31 0.00 -0.17 -0.04 0.97 0.45 3hp6A1 VAL 323 HG23 -0.66 -0.02 -0.13 -0.04 0.95 0.10 3hp6A1 GLU 324 H -0.04 0.07 -0.05 -0.55 8.60 8.03 3hp6A1 GLU 324 HA -0.04 -0.01 0.47 -0.75 4.29 3.95 3hp6A1 GLU 324 HB2 -0.02 0.00 0.01 -0.04 2.09 2.04 3hp6A1 GLU 324 HB3 -0.03 0.16 -0.11 -0.04 1.99 1.96 3hp6A1 GLU 324 HG2 -0.04 -0.04 0.04 -0.04 2.34 2.26 3hp6A1 GLU 324 HG3 -0.04 -0.06 0.06 -0.04 2.34 2.26 3hp6A1 GLU 325 H -0.02 0.09 0.15 -0.55 8.60 8.27 3hp6A1 GLU 325 HA 0.03 0.07 0.33 -0.75 4.29 3.96 3hp6A1 GLU 325 HB2 -0.02 -0.05 0.11 -0.04 2.09 2.10 3hp6A1 GLU 325 HB3 0.00 -0.02 0.01 -0.04 1.99 1.94 3hp6A1 GLU 325 HG2 0.01 0.05 0.07 -0.04 2.34 2.42 3hp6A1 GLU 325 HG3 -0.01 0.02 0.11 -0.04 2.34 2.42 3hp6A1 ASN 326 H -0.04 0.06 -0.14 -0.55 8.53 7.86 3hp6A1 ASN 326 HA -0.21 0.07 0.71 -0.75 4.76 4.58 3hp6A1 ASN 326 HB2 -0.07 -0.06 0.06 -0.04 2.88 2.76 3hp6A1 ASN 326 HB3 -0.08 0.04 0.10 -0.04 2.79 2.82 3hp6A1 ASN 326 HD21 -0.01 0.25 0.05 -0.04 7.03 7.29 3hp6A1 ASN 326 HD22 -0.05 -0.12 0.01 -0.04 7.74 7.53 3hp6A1 TYR 327 H -0.65 0.12 0.09 -0.55 8.29 7.30 3hp6A1 TYR 327 HA -0.08 0.16 0.28 -0.75 4.56 4.16 3hp6A1 TYR 327 HB2 -0.05 0.01 0.13 -0.04 3.06 3.11 3hp6A1 TYR 327 HB3 -0.05 0.09 -0.01 -0.04 2.98 2.97 3hp6A1 TYR 327 HD2 -0.10 0.07 -0.11 -0.04 7.15 6.97 3hp6A1 TYR 327 HE2 -0.10 -0.01 -0.03 -0.04 6.85 6.67 3hp6A1 HIS 328 H -0.22 0.03 -0.31 -0.55 8.41 7.36 3hp6A1 HIS 328 HA -0.25 0.04 0.45 -0.75 4.63 4.12 3hp6A1 HIS 328 HB2 -0.28 -0.01 0.06 -0.04 3.26 2.99 3hp6A1 HIS 328 HB3 -0.60 0.06 -0.01 -0.04 3.20 2.60 3hp6A1 HIS 328 HD2 -0.15 -0.05 -0.04 -0.04 6.97 6.69 3hp6A1 HIS 328 HE1 0.41 -0.04 -0.39 -0.04 7.75 7.68 3hp6A1 ASP 329 H -1.72 0.15 0.19 -0.55 8.40 6.47 3hp6A1 ASP 329 HA -0.31 0.05 0.32 -0.75 4.63 3.93 3hp6A1 ASP 329 HB2 -1.57 -0.03 -0.07 -0.04 2.71 0.99 3hp6A1 ASP 329 HB3 -0.58 0.11 -0.00 -0.04 2.70 2.19 3hp6A1 ALA 330 H -0.11 0.27 -0.31 -0.55 8.40 7.71 3hp6A1 ALA 330 HA -0.08 0.15 0.63 -0.75 4.34 4.29 3hp6A1 ALA 330 HB3 -0.02 0.01 -0.04 -0.04 1.41 1.32 3hp6A1 PRO 331 HA 0.02 0.09 0.51 -0.51 4.44 4.55 3hp6A1 PRO 331 HB2 0.00 -0.08 -0.07 -0.04 2.28 2.09 3hp6A1 PRO 331 HB3 0.01 0.05 0.04 -0.04 2.02 2.08 3hp6A1 PRO 331 HG2 -0.01 -0.01 0.07 -0.04 2.03 2.03 3hp6A1 PRO 331 HG3 -0.01 0.09 0.06 -0.04 2.03 2.13 3hp6A1 PRO 331 HD2 -0.02 -0.04 0.20 -0.04 3.68 3.77 3hp6A1 PRO 331 HD3 -0.04 0.22 0.24 -0.04 3.65 4.03 3hp6A1 ILE 332 H 0.03 0.17 0.14 -0.55 8.25 8.05 3hp6A1 ILE 332 HA 0.03 0.29 0.79 -0.75 4.18 4.54 3hp6A1 ILE 332 HB 0.03 -0.03 0.10 -0.04 1.89 1.94 3hp6A1 ILE 332 HG12 0.04 0.02 -0.16 -0.04 1.49 1.35 3hp6A1 ILE 332 HG13 0.04 0.08 -0.15 -0.04 1.21 1.14 3hp6A1 ILE 332 HG23 0.03 -0.04 -0.15 -0.04 0.93 0.74 3hp6A1 ILE 332 HD13 0.05 -0.00 -0.17 -0.04 0.88 0.72 3hp6A1 VAL 333 H 0.05 0.57 0.23 -0.55 8.24 8.54 3hp6A1 VAL 333 HA 0.06 0.17 0.59 -0.75 4.13 4.19 3hp6A1 VAL 333 HB 0.09 -0.01 0.09 -0.04 2.12 2.25 3hp6A1 VAL 333 HG13 0.01 0.02 -0.10 -0.04 0.97 0.87 3hp6A1 VAL 333 HG23 0.09 0.03 -0.12 -0.04 0.95 0.91 3hp6A1 GLY 334 H 0.06 0.21 0.02 -0.55 8.43 8.17 3hp6A1 GLY 334 HA2 -0.02 0.10 0.54 -0.51 4.01 4.12 3hp6A1 GLY 334 HA3 0.27 0.04 0.24 -0.51 4.01 4.05 3hp6A1 ILE 335 H -0.47 0.51 0.29 -0.55 8.25 8.03 3hp6A1 ILE 335 HA 0.00 0.32 1.00 -0.75 4.18 4.75 3hp6A1 ILE 335 HB -0.29 -0.03 0.03 -0.04 1.89 1.57 3hp6A1 ILE 335 HG12 0.06 0.07 0.03 -0.04 1.49 1.61 3hp6A1 ILE 335 HG13 -0.05 -0.12 -0.54 -0.04 1.21 0.46 3hp6A1 ILE 335 HG23 -0.00 0.01 -0.13 -0.04 0.93 0.77 3hp6A1 ILE 335 HD13 -0.03 0.00 -0.17 -0.04 0.88 0.63 3hp6A1 ALA 336 H 0.05 0.48 0.36 -0.55 8.40 8.74 3hp6A1 ALA 336 HA 0.03 0.33 0.97 -0.75 4.34 4.92 3hp6A1 ALA 336 HB3 0.04 -0.03 -0.08 -0.04 1.41 1.30 3hp6A1 VAL 337 H 0.10 0.63 0.38 -0.55 8.24 8.80 3hp6A1 VAL 337 HA 0.11 0.37 1.08 -0.75 4.13 4.94 3hp6A1 VAL 337 HB 0.14 -0.13 0.12 -0.04 2.12 2.21 3hp6A1 VAL 337 HG13 -0.04 0.05 -0.10 -0.04 0.97 0.84 3hp6A1 VAL 337 HG23 0.07 -0.00 -0.17 -0.04 0.95 0.81 3hp6A1 VAL 338 H -0.02 0.70 0.36 -0.55 8.24 8.73 3hp6A1 VAL 338 HA -0.19 0.26 1.06 -0.75 4.13 4.50 3hp6A1 VAL 338 HB -0.14 -0.02 0.02 -0.04 2.12 1.93 3hp6A1 VAL 338 HG13 -0.70 0.00 -0.10 -0.04 0.97 0.13 3hp6A1 VAL 338 HG23 -0.10 -0.02 -0.09 -0.04 0.95 0.69 3hp6A1 ASN 339 H -0.31 0.55 0.30 -0.55 8.53 8.52 3hp6A1 ASN 339 HA -1.37 0.18 0.75 -0.75 4.76 3.56 3hp6A1 ASN 339 HB2 -0.16 -0.03 0.35 -0.04 2.88 3.01 3hp6A1 ASN 339 HB3 -0.15 0.12 0.07 -0.04 2.79 2.80 3hp6A1 ASN 339 HD21 -0.00 0.29 0.14 -0.04 7.03 7.41 3hp6A1 ASN 339 HD22 -0.06 0.08 -0.08 -0.04 7.74 7.64 3hp6A1 GLU 340 H -0.18 0.23 0.21 -0.55 8.60 8.32 3hp6A1 GLU 340 HA 0.03 0.11 0.44 -0.75 4.29 4.12 3hp6A1 GLU 340 HB2 -0.05 0.02 0.12 -0.04 2.09 2.14 3hp6A1 GLU 340 HB3 0.05 0.03 0.16 -0.04 1.99 2.19 3hp6A1 GLU 340 HG2 -0.40 -0.02 0.15 -0.04 2.34 2.03 3hp6A1 GLU 340 HG3 -1.23 0.02 -0.07 -0.04 2.34 1.01 3hp6A1 HIS 341 H -0.10 0.04 -0.32 -0.55 8.41 7.49 3hp6A1 HIS 341 HA 0.04 0.16 0.42 -0.75 4.63 4.49 3hp6A1 HIS 341 HB2 0.15 0.08 -0.05 -0.04 3.26 3.40 3hp6A1 HIS 341 HB3 0.12 -0.04 0.04 -0.04 3.20 3.27 3hp6A1 HIS 341 HD2 -0.01 0.32 0.14 -0.04 6.97 7.37 3hp6A1 HIS 341 HE1 0.03 0.02 -0.02 -0.04 7.75 7.74 3hp6A1 GLY 342 H -0.06 0.26 -0.15 -0.55 8.43 7.94 3hp6A1 GLY 342 HA2 -0.17 0.08 0.28 -0.51 4.01 3.69 3hp6A1 GLY 342 HA3 -0.30 0.12 0.71 -0.51 4.01 4.02 3hp6A1 ARG 343 H -0.61 0.20 0.21 -0.55 8.46 7.71 3hp6A1 ARG 343 HA -0.31 0.28 1.11 -0.75 4.34 4.67 3hp6A1 ARG 343 HB2 -0.08 -0.01 0.28 -0.04 1.90 2.06 3hp6A1 ARG 343 HB3 -0.10 0.01 0.06 -0.04 1.80 1.72 3hp6A1 ARG 343 HG2 -0.17 0.03 -0.12 -0.04 1.67 1.37 3hp6A1 ARG 343 HG3 -0.14 -0.07 -0.07 -0.04 1.67 1.35 3hp6A1 ARG 343 HD2 0.02 0.26 -0.01 -0.04 3.22 3.45 3hp6A1 ARG 343 HD3 -0.03 -0.03 -0.06 -0.04 3.22 3.05 3hp6A1 PHE 344 H 0.00 0.71 0.43 -0.55 8.34 8.92 3hp6A1 PHE 344 HA 0.12 0.23 1.14 -0.75 4.62 5.35 3hp6A1 PHE 344 HB2 -0.06 -0.02 0.11 -0.04 3.15 3.14 3hp6A1 PHE 344 HB3 -0.04 0.01 -0.00 -0.04 3.06 2.99 3hp6A1 PHE 344 HD2 -0.05 0.10 -0.09 -0.04 7.28 7.20 3hp6A1 PHE 344 HE2 -0.04 0.00 -0.24 -0.04 7.38 7.06 3hp6A1 PHE 344 HZ -0.00 0.05 -0.39 -0.04 7.32 6.94 3hp6A1 PHE 345 H 0.36 0.67 0.45 -0.55 8.34 9.28 3hp6A1 PHE 345 HA 0.00 0.32 1.18 -0.75 4.62 5.36 3hp6A1 PHE 345 HB2 -0.11 0.03 0.11 -0.04 3.15 3.14 3hp6A1 PHE 345 HB3 0.15 -0.07 0.20 -0.04 3.06 3.30 3hp6A1 PHE 345 HD2 0.01 -0.03 -0.10 -0.04 7.28 7.12 3hp6A1 PHE 345 HE2 0.02 -0.04 -0.12 -0.04 7.38 7.19 3hp6A1 PHE 345 HZ 0.02 0.07 0.02 -0.04 7.32 7.38 3hp6A1 LEU 346 H -0.74 0.78 0.32 -0.55 8.37 8.19 3hp6A1 LEU 346 HA -0.31 0.20 0.93 -0.75 4.35 4.41 3hp6A1 LEU 346 HB2 -0.44 0.01 -0.03 -0.04 1.64 1.14 3hp6A1 LEU 346 HB3 -0.42 0.01 -0.11 -0.04 1.64 1.09 3hp6A1 LEU 346 HG -0.21 -0.04 -0.44 -0.04 1.64 0.91 3hp6A1 LEU 346 HD13 -0.59 0.00 -0.15 -0.04 0.93 0.15 3hp6A1 LEU 346 HD23 -0.23 0.02 -0.23 -0.04 0.89 0.41 3hp6A1 ARG 347 H -0.22 0.23 0.13 -0.55 8.46 8.05 3hp6A1 ARG 347 HA -0.18 0.20 0.69 -0.75 4.34 4.30 3hp6A1 ARG 347 HB2 -0.05 0.02 0.17 -0.04 1.90 2.00 3hp6A1 ARG 347 HB3 -0.02 -0.08 0.02 -0.04 1.80 1.68 3hp6A1 ARG 347 HG2 0.13 0.06 0.08 -0.04 1.67 1.90 3hp6A1 ARG 347 HG3 0.19 0.01 0.02 -0.04 1.67 1.86 3hp6A1 ARG 347 HD2 0.03 -0.01 0.05 -0.04 3.22 3.25 3hp6A1 ARG 347 HD3 0.06 0.01 0.04 -0.04 3.22 3.29 3hp6A1 PRO 348 HA -0.10 0.05 0.23 -0.51 4.44 4.11 3hp6A1 PRO 348 HB2 -0.00 0.09 -0.02 -0.04 2.28 2.30 3hp6A1 PRO 348 HB3 -0.01 0.05 -0.06 -0.04 2.02 1.97 3hp6A1 PRO 348 HG2 0.02 0.28 -0.23 -0.04 2.03 2.06 3hp6A1 PRO 348 HG3 -0.03 -0.10 -0.28 -0.04 2.03 1.58 3hp6A1 PRO 348 HD2 0.00 0.09 0.14 -0.04 3.68 3.87 3hp6A1 PRO 348 HD3 -0.05 0.17 0.22 -0.04 3.65 3.94 3hp6A1 GLU 349 H -0.02 0.14 -0.12 -0.55 8.60 8.06 3hp6A1 GLU 349 HA -0.00 0.12 0.34 -0.75 4.29 3.99 3hp6A1 GLU 349 HB2 -0.01 -0.04 -0.02 -0.04 2.09 1.98 3hp6A1 GLU 349 HB3 -0.00 0.06 0.02 -0.04 1.99 2.03 3hp6A1 GLU 349 HG2 0.01 0.04 0.02 -0.04 2.34 2.37 3hp6A1 GLU 349 HG3 0.01 0.06 0.05 -0.04 2.34 2.41 3hp6A1 THR 350 H -0.06 0.06 -0.46 -0.55 8.28 7.27 3hp6A1 THR 350 HA -0.04 0.10 0.35 -0.75 4.39 4.04 3hp6A1 THR 350 HB -0.12 0.04 0.10 -0.04 4.32 4.30 3hp6A1 THR 350 HG23 -0.08 0.02 -0.11 -0.04 1.22 1.01 3hp6A1 ALA 351 H -0.19 0.55 0.01 -0.55 8.40 8.22 3hp6A1 ALA 351 HA -0.28 -0.05 0.25 -0.75 4.34 3.50 3hp6A1 ALA 351 HB3 -0.74 -0.00 -0.07 -0.04 1.41 0.56 3hp6A1 LEU 352 H -0.04 0.53 -0.24 -0.55 8.37 8.09 3hp6A1 LEU 352 HA 0.15 0.08 0.42 -0.75 4.35 4.25 3hp6A1 LEU 352 HB2 0.03 0.13 -0.01 -0.04 1.64 1.75 3hp6A1 LEU 352 HB3 0.06 0.05 0.05 -0.04 1.64 1.76 3hp6A1 LEU 352 HG 0.03 -0.09 -0.03 -0.04 1.64 1.50 3hp6A1 LEU 352 HD13 0.05 0.00 -0.07 -0.04 0.93 0.88 3hp6A1 LEU 352 HD23 0.19 -0.00 -0.16 -0.04 0.89 0.88 3hp6A1 ALA 353 H 0.00 0.24 -0.44 -0.55 8.40 7.66 3hp6A1 ALA 353 HA 0.03 0.15 0.74 -0.75 4.34 4.50 3hp6A1 ALA 353 HB3 0.01 -0.00 0.13 -0.04 1.41 1.50 3hp6A1 ASP 354 H 0.04 0.25 -0.32 -0.55 8.40 7.82 3hp6A1 ASP 354 HA 0.02 0.15 0.67 -0.75 4.63 4.72 3hp6A1 ASP 354 HB2 -0.02 0.14 0.10 -0.04 2.71 2.90 3hp6A1 ASP 354 HB3 0.08 0.02 0.21 -0.04 2.70 2.97 3hp6A1 PRO 355 HA 0.05 0.14 0.33 -0.51 4.44 4.45 3hp6A1 PRO 355 HB2 0.02 -0.03 0.03 -0.04 2.28 2.26 3hp6A1 PRO 355 HB3 0.02 0.06 0.08 -0.04 2.02 2.14 3hp6A1 PRO 355 HG2 0.02 0.01 0.10 -0.04 2.03 2.12 3hp6A1 PRO 355 HG3 0.02 0.13 0.09 -0.04 2.03 2.23 3hp6A1 PRO 355 HD2 0.02 -0.01 0.24 -0.04 3.68 3.90 3hp6A1 PRO 355 HD3 0.02 0.45 0.40 -0.04 3.65 4.48 3hp6A1 GLN 356 H 0.05 0.10 -0.23 -0.55 8.47 7.84 3hp6A1 GLN 356 HA 0.05 0.12 0.41 -0.75 4.36 4.19 3hp6A1 GLN 356 HB2 0.04 -0.05 -0.01 -0.04 2.15 2.09 3hp6A1 GLN 356 HB3 0.03 0.04 -0.15 -0.04 2.02 1.90 3hp6A1 GLN 356 HG2 0.00 -0.01 -0.05 -0.04 2.40 2.30 3hp6A1 GLN 356 HG3 0.02 0.05 -0.02 -0.04 2.39 2.40 3hp6A1 GLN 356 HE21 0.01 0.03 -0.06 -0.04 6.97 6.91 3hp6A1 GLN 356 HE22 0.02 0.05 -0.09 -0.04 7.69 7.63 3hp6A1 PHE 357 H 0.19 0.13 -0.22 -0.55 8.34 7.89 3hp6A1 PHE 357 HA 0.07 0.08 0.44 -0.75 4.62 4.45 3hp6A1 PHE 357 HB2 -0.05 -0.16 0.07 -0.04 3.15 2.96 3hp6A1 PHE 357 HB3 0.01 0.39 0.16 -0.04 3.06 3.58 3hp6A1 PHE 357 HD2 -0.10 0.07 -0.20 -0.04 7.28 7.00 3hp6A1 PHE 357 HE2 -0.14 0.02 -0.15 -0.04 7.38 7.07 3hp6A1 PHE 357 HZ 0.14 -0.00 -0.13 -0.04 7.32 7.29 3hp6A1 VAL 358 H 0.17 0.48 -0.11 -0.55 8.24 8.23 3hp6A1 VAL 358 HA 0.04 0.05 0.39 -0.75 4.13 3.85 3hp6A1 VAL 358 HB 0.06 0.01 0.04 -0.04 2.12 2.20 3hp6A1 VAL 358 HG13 0.01 0.00 -0.10 -0.04 0.97 0.84 3hp6A1 VAL 358 HG23 0.12 0.05 -0.05 -0.04 0.95 1.02 3hp6A1 ALA 359 H 0.05 0.41 -0.25 -0.55 8.40 8.07 3hp6A1 ALA 359 HA -0.01 0.04 0.43 -0.75 4.34 4.05 3hp6A1 ALA 359 HB3 0.04 0.01 0.06 -0.04 1.41 1.47 3hp6A1 TRP 360 H 0.15 0.37 -0.30 -0.55 7.97 7.64 3hp6A1 TRP 360 HA -0.11 -0.01 0.43 -0.75 4.62 4.18 3hp6A1 TRP 360 HB2 -0.12 -0.03 0.10 -0.04 3.23 3.14 3hp6A1 TRP 360 HB3 -0.34 0.07 0.16 -0.04 3.23 3.08 3hp6A1 TRP 360 HD1 -0.06 -0.01 -0.05 -0.04 7.22 7.06 3hp6A1 TRP 360 HE1 -0.02 0.41 -0.22 -0.04 10.20 10.33 3hp6A1 TRP 360 HE3 -0.96 0.06 -0.13 -0.04 7.59 6.52 3hp6A1 TRP 360 HZ2 -0.01 -0.01 -0.21 -0.04 7.44 7.17 3hp6A1 TRP 360 HZ3 -0.23 -0.09 -0.13 -0.04 7.13 6.64 3hp6A1 TRP 360 HH2 0.00 -0.10 -0.16 -0.04 7.19 6.89 3hp6A1 LEU 361 H -0.10 0.59 -0.11 -0.55 8.37 8.19 3hp6A1 LEU 361 HA -0.59 -0.05 0.35 -0.75 4.35 3.31 3hp6A1 LEU 361 HB2 -0.13 0.14 0.15 -0.04 1.64 1.76 3hp6A1 LEU 361 HB3 -0.16 -0.02 -0.03 -0.04 1.64 1.39 3hp6A1 LEU 361 HG -0.51 0.13 -0.05 -0.04 1.64 1.17 3hp6A1 LEU 361 HD13 0.12 -0.03 -0.14 -0.04 0.93 0.84 3hp6A1 LEU 361 HD23 -0.05 -0.04 -0.09 -0.04 0.89 0.67 3hp6A1 GLY 362 H -0.14 0.43 -0.24 -0.55 8.43 7.94 3hp6A1 GLY 362 HA2 -0.14 -0.03 0.20 -0.51 4.01 3.53 3hp6A1 GLY 362 HA3 -0.10 -0.07 0.28 -0.51 4.01 3.61 3hp6A1 ASP 363 H -0.25 0.45 -0.48 -0.55 8.40 7.56 3hp6A1 ASP 363 HA -0.10 -0.02 0.59 -0.75 4.63 4.34 3hp6A1 ASP 363 HB2 -0.08 0.10 0.06 -0.04 2.71 2.75 3hp6A1 ASP 363 HB3 -0.19 0.13 0.21 -0.04 2.70 2.80 3hp6A1 GLU 364 H -0.09 0.11 0.19 -0.55 8.60 8.26 3hp6A1 GLU 364 HA -0.14 0.32 0.31 -0.75 4.29 4.03 3hp6A1 GLU 364 HB2 -0.08 0.04 0.10 -0.04 2.09 2.12 3hp6A1 GLU 364 HB3 -0.08 0.04 0.08 -0.04 1.99 1.99 3hp6A1 GLU 364 HG2 -0.05 -0.08 0.00 -0.04 2.34 2.17 3hp6A1 GLU 364 HG3 -0.05 -0.00 -0.25 -0.04 2.34 2.00 3hp6A1 THR 365 H -0.08 0.00 -0.28 -0.55 8.28 7.38 3hp6A1 THR 365 HA -0.04 0.13 0.58 -0.75 4.39 4.30 3hp6A1 THR 365 HB -0.01 -0.02 0.10 -0.04 4.32 4.34 3hp6A1 THR 365 HG23 -0.02 -0.02 -0.01 -0.04 1.22 1.13 3hp6A1 LYS 366 H -0.16 0.35 -0.33 -0.55 8.42 7.74 3hp6A1 LYS 366 HA -0.00 0.02 0.81 -0.75 4.32 4.40 3hp6A1 LYS 366 HB2 -0.63 0.25 0.17 -0.04 1.87 1.62 3hp6A1 LYS 366 HB3 -0.18 0.04 -0.03 -0.04 1.79 1.58 3hp6A1 LYS 366 HG2 -0.08 -0.18 -0.07 -0.04 1.46 1.09 3hp6A1 LYS 366 HG3 -0.06 0.01 0.02 -0.04 1.46 1.39 3hp6A1 LYS 366 HD2 0.34 0.14 -0.21 -0.04 1.69 1.92 3hp6A1 LYS 366 HD3 0.10 -0.02 -0.12 -0.04 1.68 1.60 3hp6A1 LYS 366 HE2 0.06 -0.06 -0.09 -0.04 2.99 2.85 3hp6A1 LYS 366 HE3 0.16 0.01 -0.06 -0.04 2.99 3.06 3hp6A1 LYS 367 H 0.03 0.61 0.22 -0.55 8.42 8.73 3hp6A1 LYS 367 HA -0.07 0.38 0.50 -0.75 4.32 4.37 3hp6A1 LYS 367 HB2 0.06 -0.08 0.23 -0.04 1.87 2.04 3hp6A1 LYS 367 HB3 0.03 -0.11 0.05 -0.04 1.79 1.72 3hp6A1 LYS 367 HG2 0.01 0.13 0.09 -0.04 1.46 1.65 3hp6A1 LYS 367 HG3 0.01 -0.13 0.04 -0.04 1.46 1.34 3hp6A1 LYS 367 HD2 -0.02 -0.05 -0.06 -0.04 1.69 1.52 3hp6A1 LYS 367 HD3 -0.05 0.13 -0.33 -0.04 1.68 1.38 3hp6A1 LYS 367 HE2 -0.02 -0.00 0.04 -0.04 2.99 2.97 3hp6A1 LYS 367 HE3 -0.01 -0.13 0.00 -0.04 2.99 2.81 3hp6A1 LYS 368 H -0.04 0.60 0.40 -0.55 8.42 8.82 3hp6A1 LYS 368 HA 0.12 0.30 1.06 -0.75 4.32 5.05 3hp6A1 LYS 368 HB2 -0.09 -0.06 -0.03 -0.04 1.87 1.65 3hp6A1 LYS 368 HB3 0.02 -0.09 -0.07 -0.04 1.79 1.62 3hp6A1 LYS 368 HG2 -0.29 -0.10 -0.16 -0.04 1.46 0.87 3hp6A1 LYS 368 HG3 -0.22 0.05 -0.34 -0.04 1.46 0.90 3hp6A1 LYS 368 HD2 -0.36 0.23 -0.14 -0.04 1.69 1.38 3hp6A1 LYS 368 HD3 -0.36 -0.12 -0.16 -0.04 1.68 1.00 3hp6A1 LYS 368 HE2 -1.33 -0.19 -0.10 -0.04 2.99 1.33 3hp6A1 LYS 368 HE3 -1.81 -0.11 -0.23 -0.04 2.99 0.81 3hp6A1 SER 369 H 0.22 0.74 0.53 -0.55 8.46 9.40 3hp6A1 SER 369 HA 0.20 0.16 1.10 -0.75 4.49 5.19 3hp6A1 SER 369 HB2 0.28 -0.02 0.14 -0.04 3.95 4.30 3hp6A1 SER 369 HB3 0.36 -0.04 0.05 -0.04 3.93 4.27 3hp6A1 MET 370 H 0.08 0.69 0.43 -0.55 8.47 9.11 3hp6A1 MET 370 HA 0.11 0.30 0.93 -0.75 4.52 5.11 3hp6A1 MET 370 HB2 -0.02 -0.12 -0.03 -0.04 2.15 1.94 3hp6A1 MET 370 HB3 0.03 -0.02 0.01 -0.04 2.03 2.01 3hp6A1 MET 370 HG2 0.07 0.26 -0.14 -0.04 2.63 2.79 3hp6A1 MET 370 HG3 0.03 -0.04 -0.54 -0.04 2.56 1.96 3hp6A1 MET 370 HE3 0.03 0.03 -0.11 -0.04 2.10 2.00 3hp6A1 PHE 371 H 0.15 0.40 0.13 -0.55 8.34 8.47 3hp6A1 PHE 371 HA -0.11 -0.23 0.72 -0.75 4.62 4.25 3hp6A1 PHE 371 HB2 -0.05 0.07 0.02 -0.04 3.15 3.15 3hp6A1 PHE 371 HB3 -0.03 0.09 0.15 -0.04 3.06 3.23 3hp6A1 PHE 371 HD2 -0.06 0.06 -0.20 -0.04 7.28 7.04 3hp6A1 PHE 371 HE2 -0.02 0.17 -0.28 -0.04 7.38 7.20 3hp6A1 PHE 371 HZ 0.01 0.03 -0.54 -0.04 7.32 6.77 3hp6A1 ASP 372 H -0.49 -0.05 0.06 -0.55 8.40 7.36 3hp6A1 ASP 372 HA -0.28 -0.00 0.37 -0.75 4.63 3.97 3hp6A1 ASP 372 HB2 -0.29 0.01 -0.05 -0.04 2.71 2.33 3hp6A1 ASP 372 HB3 -0.01 0.24 0.33 -0.04 2.70 3.21 3hp6A1 SER 373 H -0.16 0.07 0.01 -0.55 8.46 7.83 3hp6A1 SER 373 HA -0.08 0.16 0.43 -0.75 4.49 4.24 3hp6A1 SER 373 HB2 -0.08 0.15 -0.00 -0.04 3.95 3.98 3hp6A1 SER 373 HB3 -0.08 0.00 0.00 -0.04 3.93 3.81 3hp6A1 LYS 374 H -0.13 -0.02 -0.18 -0.55 8.42 7.54 3hp6A1 LYS 374 HA -0.11 0.18 0.50 -0.75 4.32 4.14 3hp6A1 LYS 374 HB2 -0.05 0.06 0.10 -0.04 1.87 1.93 3hp6A1 LYS 374 HB3 -0.08 -0.11 0.08 -0.04 1.79 1.64 3hp6A1 LYS 374 HG2 0.03 0.01 -0.19 -0.04 1.46 1.27 3hp6A1 LYS 374 HG3 0.00 0.02 0.05 -0.04 1.46 1.50 3hp6A1 LYS 374 HD2 0.16 0.03 -0.18 -0.04 1.69 1.66 3hp6A1 LYS 374 HD3 0.05 0.18 0.09 -0.04 1.68 1.95 3hp6A1 LYS 374 HE2 0.10 0.01 0.04 -0.04 2.99 3.10 3hp6A1 LYS 374 HE3 0.03 -0.15 0.05 -0.04 2.99 2.87 3hp6A1 ARG 375 H -0.27 0.03 -0.19 -0.55 8.46 7.47 3hp6A1 ARG 375 HA -1.66 0.07 0.46 -0.75 4.34 2.45 3hp6A1 ARG 375 HB2 -0.27 -0.05 0.15 -0.04 1.90 1.68 3hp6A1 ARG 375 HB3 -0.19 0.20 0.22 -0.04 1.80 2.00 3hp6A1 ARG 375 HG2 -0.12 0.04 -0.15 -0.04 1.67 1.39 3hp6A1 ARG 375 HG3 -0.21 0.01 0.04 -0.04 1.67 1.48 3hp6A1 ARG 375 HD2 0.03 -0.06 0.09 -0.04 3.22 3.24 3hp6A1 ARG 375 HD3 0.04 0.15 0.09 -0.04 3.22 3.45 3hp6A1 ALA 376 H -0.16 0.22 -0.17 -0.55 8.40 7.75 3hp6A1 ALA 376 HA -0.07 0.11 0.49 -0.75 4.34 4.11 3hp6A1 ALA 376 HB3 -0.04 0.00 0.08 -0.04 1.41 1.42 3hp6A1 ALA 377 H -0.12 0.68 0.01 -0.55 8.40 8.42 3hp6A1 ALA 377 HA -0.09 0.04 0.46 -0.75 4.34 4.00 3hp6A1 ALA 377 HB3 -0.09 0.00 0.12 -0.04 1.41 1.40 3hp6A1 VAL 378 H -0.14 0.57 -0.11 -0.55 8.24 8.02 3hp6A1 VAL 378 HA -0.01 0.09 0.61 -0.75 4.13 4.07 3hp6A1 VAL 378 HB -0.04 0.03 0.11 -0.04 2.12 2.18 3hp6A1 VAL 378 HG13 0.48 0.00 -0.15 -0.04 0.97 1.27 3hp6A1 VAL 378 HG23 0.16 0.04 0.10 -0.04 0.95 1.21 3hp6A1 ALA 379 H -0.03 0.51 -0.04 -0.55 8.40 8.28 3hp6A1 ALA 379 HA 0.24 0.05 0.47 -0.75 4.34 4.35 3hp6A1 ALA 379 HB3 0.04 0.01 0.09 -0.04 1.41 1.51 3hp6A1 LEU 380 H 0.00 0.56 -0.23 -0.55 8.37 8.16 3hp6A1 LEU 380 HA 0.04 -0.03 0.47 -0.75 4.35 4.07 3hp6A1 LEU 380 HB2 -0.05 0.08 0.13 -0.04 1.64 1.76 3hp6A1 LEU 380 HB3 -0.03 0.08 -0.08 -0.04 1.64 1.57 3hp6A1 LEU 380 HG 0.01 0.03 0.00 -0.04 1.64 1.65 3hp6A1 LEU 380 HD13 -0.01 -0.03 -0.19 -0.04 0.93 0.66 3hp6A1 LEU 380 HD23 0.06 -0.03 -0.08 -0.04 0.89 0.79 3hp6A1 LYS 381 H -0.13 0.56 -0.06 -0.55 8.42 8.23 3hp6A1 LYS 381 HA -0.35 -0.00 0.46 -0.75 4.32 3.67 3hp6A1 LYS 381 HB2 -0.55 0.07 0.27 -0.04 1.87 1.62 3hp6A1 LYS 381 HB3 -1.98 -0.04 0.02 -0.04 1.79 -0.26 3hp6A1 LYS 381 HG2 -0.53 -0.07 0.01 -0.04 1.46 0.84 3hp6A1 LYS 381 HG3 -0.31 0.11 0.10 -0.04 1.46 1.32 3hp6A1 LYS 381 HD2 -0.29 -0.02 -0.09 -0.04 1.69 1.25 3hp6A1 LYS 381 HD3 -0.58 -0.01 -0.03 -0.04 1.68 1.02 3hp6A1 LYS 381 HE2 -0.20 -0.02 -0.02 -0.04 2.99 2.71 3hp6A1 LYS 381 HE3 -0.15 -0.04 -0.06 -0.04 2.99 2.70 3hp6A1 TRP 382 H 0.19 0.55 -0.11 -0.55 7.97 8.05 3hp6A1 TRP 382 HA 0.26 0.05 0.57 -0.75 4.62 4.75 3hp6A1 TRP 382 HB2 0.08 0.20 0.22 -0.04 3.23 3.69 3hp6A1 TRP 382 HB3 0.10 -0.05 0.11 -0.04 3.23 3.35 3hp6A1 TRP 382 HD1 0.20 0.26 -0.03 -0.04 7.22 7.61 3hp6A1 TRP 382 HE1 0.68 0.03 -0.00 -0.04 10.20 10.87 3hp6A1 TRP 382 HE3 0.08 0.01 0.10 -0.04 7.59 7.74 3hp6A1 TRP 382 HZ2 -1.06 0.07 -0.00 -0.04 7.44 6.41 3hp6A1 TRP 382 HZ3 -0.06 -0.05 0.02 -0.04 7.13 7.01 3hp6A1 TRP 382 HH2 -0.41 -0.02 -0.00 -0.04 7.19 6.71 3hp6A1 LYS 383 H 0.14 0.34 -0.33 -0.55 8.42 8.02 3hp6A1 LYS 383 HA 0.12 0.09 0.77 -0.75 4.32 4.54 3hp6A1 LYS 383 HB2 0.06 0.08 0.12 -0.04 1.87 2.09 3hp6A1 LYS 383 HB3 0.06 -0.08 0.14 -0.04 1.79 1.88 3hp6A1 LYS 383 HG2 0.12 0.21 -0.00 -0.04 1.46 1.75 3hp6A1 LYS 383 HG3 0.07 -0.13 -0.01 -0.04 1.46 1.34 3hp6A1 LYS 383 HD2 0.07 -0.04 0.02 -0.04 1.69 1.69 3hp6A1 LYS 383 HD3 0.12 0.08 -0.11 -0.04 1.68 1.73 3hp6A1 LYS 383 HE2 0.05 -0.03 -0.06 -0.04 2.99 2.91 3hp6A1 LYS 383 HE3 0.07 0.15 -0.08 -0.04 2.99 3.08 3hp6A1 GLY 384 H -0.01 0.38 -0.42 -0.55 8.43 7.84 3hp6A1 GLY 384 HA2 -0.05 0.05 0.27 -0.51 4.01 3.77 3hp6A1 GLY 384 HA3 0.00 -0.00 0.46 -0.51 4.01 3.95 3hp6A1 ILE 385 H -0.06 0.64 -0.08 -0.55 8.25 8.20 3hp6A1 ILE 385 HA -0.03 0.12 0.83 -0.75 4.18 4.34 3hp6A1 ILE 385 HB 0.00 -0.03 -0.04 -0.04 1.89 1.77 3hp6A1 ILE 385 HG12 0.02 0.00 -0.11 -0.04 1.49 1.36 3hp6A1 ILE 385 HG13 0.02 0.11 -0.47 -0.04 1.21 0.83 3hp6A1 ILE 385 HG23 -0.00 -0.03 -0.25 -0.04 0.93 0.61 3hp6A1 ILE 385 HD13 0.06 -0.00 -0.04 -0.04 0.88 0.86 3hp6A1 GLU 386 H -0.07 0.15 0.08 -0.55 8.60 8.22 3hp6A1 GLU 386 HA -0.12 0.10 0.71 -0.75 4.29 4.22 3hp6A1 GLU 386 HB2 -0.09 0.00 0.04 -0.04 2.09 2.00 3hp6A1 GLU 386 HB3 -0.08 -0.01 0.10 -0.04 1.99 1.96 3hp6A1 GLU 386 HG2 -0.10 0.03 -0.22 -0.04 2.34 2.01 3hp6A1 GLU 386 HG3 -0.10 -0.01 0.01 -0.04 2.34 2.20 3hp6A1 LEU 387 H -0.11 0.18 0.04 -0.55 8.37 7.93 3hp6A1 LEU 387 HA -0.15 0.36 0.51 -0.75 4.35 4.32 3hp6A1 LEU 387 HB2 -0.09 0.01 -0.14 -0.04 1.64 1.38 3hp6A1 LEU 387 HB3 -0.10 -0.06 0.06 -0.04 1.64 1.49 3hp6A1 LEU 387 HG -0.13 0.03 -0.08 -0.04 1.64 1.42 3hp6A1 LEU 387 HD13 -0.17 0.06 -0.05 -0.04 0.93 0.73 3hp6A1 LEU 387 HD23 -0.08 -0.05 -0.09 -0.04 0.89 0.63 3hp6A1 GLY 389 HA2 -0.09 0.02 0.16 -0.51 4.01 3.59 3hp6A1 GLY 389 HA3 -0.17 0.24 0.20 -0.51 4.01 3.78 3hp6A1 VAL 390 H -0.09 0.19 -0.03 -0.55 8.24 7.76 3hp6A1 VAL 390 HA -0.05 0.08 0.70 -0.75 4.13 4.10 3hp6A1 VAL 390 HB -0.06 0.01 0.07 -0.04 2.12 2.09 3hp6A1 VAL 390 HG13 -0.04 -0.07 -0.15 -0.04 0.97 0.67 3hp6A1 VAL 390 HG23 -0.09 0.01 -0.11 -0.04 0.95 0.73 3hp6A1 SER 391 H 0.03 0.55 0.42 -0.55 8.46 8.92 3hp6A1 SER 391 HA 0.02 0.24 0.91 -0.75 4.49 4.90 3hp6A1 SER 391 HB2 0.04 -0.05 0.10 -0.04 3.95 3.99 3hp6A1 SER 391 HB3 0.01 0.12 -0.04 -0.04 3.93 3.98 3hp6A1 PHE 392 H 0.10 0.31 0.21 -0.55 8.34 8.41 3hp6A1 PHE 392 HA -0.02 0.11 0.62 -0.75 4.62 4.58 3hp6A1 PHE 392 HB2 -0.01 0.16 -0.08 -0.04 3.15 3.18 3hp6A1 PHE 392 HB3 -0.00 -0.05 0.11 -0.04 3.06 3.08 3hp6A1 PHE 392 HD2 -0.01 0.02 -0.02 -0.04 7.28 7.23 3hp6A1 PHE 392 HE2 -0.04 0.00 -0.08 -0.04 7.38 7.22 3hp6A1 PHE 392 HZ -0.17 0.03 -0.09 -0.04 7.32 7.05 3hp6A1 ASP 393 H -0.60 0.26 0.07 -0.55 8.40 7.59 3hp6A1 ASP 393 HA -0.32 0.28 0.97 -0.75 4.63 4.81 3hp6A1 ASP 393 HB2 -0.20 0.18 -0.05 -0.04 2.71 2.59 3hp6A1 ASP 393 HB3 -0.28 0.03 0.17 -0.04 2.70 2.58 3hp6A1 LEU 394 H -0.32 0.84 0.40 -0.55 8.37 8.74 3hp6A1 LEU 394 HA -0.62 0.12 0.26 -0.75 4.35 3.36 3hp6A1 LEU 394 HB2 0.07 0.13 0.07 -0.04 1.64 1.86 3hp6A1 LEU 394 HB3 0.25 -0.10 0.12 -0.04 1.64 1.87 3hp6A1 LEU 394 HG -0.03 -0.05 -0.16 -0.04 1.64 1.36 3hp6A1 LEU 394 HD13 -0.75 0.02 -0.07 -0.04 0.93 0.09 3hp6A1 LEU 394 HD23 -0.01 0.01 -0.11 -0.04 0.89 0.73 3hp6A1 LEU 395 H -0.58 -0.09 -0.08 -0.55 8.37 7.08 3hp6A1 LEU 395 HA -0.33 0.15 0.41 -0.75 4.35 3.82 3hp6A1 LEU 395 HB2 -2.13 0.01 -0.01 -0.04 1.64 -0.52 3hp6A1 LEU 395 HB3 -0.70 -0.23 0.10 -0.04 1.64 0.76 3hp6A1 LEU 395 HG -0.30 0.06 -0.31 -0.04 1.64 1.05 3hp6A1 LEU 395 HD13 -0.14 0.03 -0.05 -0.04 0.93 0.73 3hp6A1 LEU 395 HD23 -0.32 -0.01 -0.02 -0.04 0.89 0.50 3hp6A1 LEU 396 H -0.30 0.03 -0.19 -0.55 8.37 7.36 3hp6A1 LEU 396 HA -0.02 0.15 0.45 -0.75 4.35 4.18 3hp6A1 LEU 396 HB2 -0.16 0.04 0.07 -0.04 1.64 1.56 3hp6A1 LEU 396 HB3 -0.03 0.09 0.00 -0.04 1.64 1.67 3hp6A1 LEU 396 HG -0.19 -0.23 0.00 -0.04 1.64 1.18 3hp6A1 LEU 396 HD13 -0.10 0.01 -0.11 -0.04 0.93 0.69 3hp6A1 LEU 396 HD23 -0.11 0.03 -0.10 -0.04 0.89 0.67 3hp6A1 ALA 397 H -0.25 0.46 -0.07 -0.55 8.40 7.99 3hp6A1 ALA 397 HA 0.09 0.06 0.47 -0.75 4.34 4.21 3hp6A1 ALA 397 HB3 0.02 0.01 0.05 -0.04 1.41 1.45 3hp6A1 ALA 398 H 0.00 0.52 -0.15 -0.55 8.40 8.23 3hp6A1 ALA 398 HA 0.44 0.06 0.37 -0.75 4.34 4.46 3hp6A1 ALA 398 HB3 0.19 -0.00 0.07 -0.04 1.41 1.63 3hp6A1 TYR 399 H 0.18 0.41 -0.21 -0.55 8.29 8.12 3hp6A1 TYR 399 HA 0.06 0.02 0.26 -0.75 4.56 4.14 3hp6A1 TYR 399 HB2 -0.01 0.00 0.12 -0.04 3.06 3.14 3hp6A1 TYR 399 HB3 -0.01 0.09 0.15 -0.04 2.98 3.17 3hp6A1 TYR 399 HD2 0.02 0.01 -0.06 -0.04 7.15 7.08 3hp6A1 TYR 399 HE2 0.03 0.07 -0.22 -0.04 6.85 6.69 3hp6A1 LEU 400 H 0.12 0.39 -0.29 -0.55 8.37 8.05 3hp6A1 LEU 400 HA -0.15 0.04 0.44 -0.75 4.35 3.92 3hp6A1 LEU 400 HB2 0.08 0.07 0.14 -0.04 1.64 1.88 3hp6A1 LEU 400 HB3 0.02 -0.01 0.01 -0.04 1.64 1.62 3hp6A1 LEU 400 HG 0.11 0.16 0.05 -0.04 1.64 1.92 3hp6A1 LEU 400 HD13 0.05 -0.03 -0.11 -0.04 0.93 0.80 3hp6A1 LEU 400 HD23 -0.01 -0.01 -0.03 -0.04 0.89 0.80 3hp6A1 LEU 401 H 0.11 0.34 -0.19 -0.55 8.37 8.09 3hp6A1 LEU 401 HA 0.05 0.02 0.38 -0.75 4.35 4.05 3hp6A1 LEU 401 HB2 0.14 0.05 0.16 -0.04 1.64 1.95 3hp6A1 LEU 401 HB3 0.02 -0.03 0.01 -0.04 1.64 1.59 3hp6A1 LEU 401 HG 0.16 0.12 0.05 -0.04 1.64 1.93 3hp6A1 LEU 401 HD13 -0.16 -0.02 -0.02 -0.04 0.93 0.69 3hp6A1 LEU 401 HD23 0.01 -0.02 -0.10 -0.04 0.89 0.75 3hp6A1 ASP 402 H 0.07 0.45 -0.24 -0.55 8.40 8.13 3hp6A1 ASP 402 HA 0.13 0.17 0.36 -0.75 4.63 4.54 3hp6A1 ASP 402 HB2 -0.03 0.22 -0.03 -0.04 2.71 2.82 3hp6A1 ASP 402 HB3 0.02 -0.08 0.09 -0.04 2.70 2.69 3hp6A1 PRO 403 HA 0.09 0.05 0.42 -0.51 4.44 4.49 3hp6A1 PRO 403 HB2 0.02 -0.08 -0.00 -0.04 2.28 2.18 3hp6A1 PRO 403 HB3 -0.07 0.09 0.04 -0.04 2.02 2.04 3hp6A1 PRO 403 HG2 -0.09 0.12 0.19 -0.04 2.03 2.21 3hp6A1 PRO 403 HG3 -0.39 0.06 0.11 -0.04 2.03 1.76 3hp6A1 PRO 403 HD2 0.04 -0.01 0.23 -0.04 3.68 3.90 3hp6A1 PRO 403 HD3 -0.10 0.33 0.10 -0.04 3.65 3.94 3hp6A1 ALA 404 H 0.07 0.12 -0.33 -0.55 8.40 7.73 3hp6A1 ALA 404 HA 0.07 0.09 0.34 -0.75 4.34 4.09 3hp6A1 ALA 404 HB3 0.06 0.01 0.07 -0.04 1.41 1.51 3hp6A1 GLN 405 H 0.07 0.41 -0.29 -0.55 8.47 8.12 3hp6A1 GLN 405 HA 0.05 0.07 0.51 -0.75 4.36 4.24 3hp6A1 GLN 405 HB2 0.09 0.10 0.04 -0.04 2.15 2.35 3hp6A1 GLN 405 HB3 0.08 -0.06 0.02 -0.04 2.02 2.01 3hp6A1 GLN 405 HG2 0.02 -0.07 -0.02 -0.04 2.40 2.29 3hp6A1 GLN 405 HG3 0.04 0.06 0.03 -0.04 2.39 2.47 3hp6A1 GLN 405 HE21 0.01 -0.02 -0.02 -0.04 6.97 6.91 3hp6A1 GLN 405 HE22 0.02 0.01 -0.05 -0.04 7.69 7.63 3hp6A1 GLY 406 H 0.11 0.40 -0.37 -0.55 8.43 8.02 3hp6A1 GLY 406 HA2 0.11 0.14 0.28 -0.51 4.01 4.04 3hp6A1 GLY 406 HA3 0.08 -0.01 0.33 -0.51 4.01 3.90 3hp6A1 VAL 407 H 0.14 0.11 -0.27 -0.55 8.24 7.67 3hp6A1 VAL 407 HA 0.13 -0.03 0.33 -0.75 4.13 3.80 3hp6A1 VAL 407 HB 0.18 0.05 -0.01 -0.04 2.12 2.30 3hp6A1 VAL 407 HG13 0.28 -0.05 -0.20 -0.04 0.97 0.95 3hp6A1 VAL 407 HG23 0.15 0.01 -0.20 -0.04 0.95 0.88 3hp6A1 ASP 408 H 0.14 -0.07 0.26 -0.55 8.40 8.18 3hp6A1 ASP 408 HA 0.22 0.19 0.78 -0.75 4.63 5.06 3hp6A1 ASP 408 HB2 0.11 -0.03 0.14 -0.04 2.71 2.89 3hp6A1 ASP 408 HB3 0.10 0.20 -0.18 -0.04 2.70 2.78 3hp6A1 ASP 409 H 0.12 0.05 0.22 -0.55 8.40 8.24 3hp6A1 ASP 409 HA -0.23 0.24 0.43 -0.75 4.63 4.32 3hp6A1 ASP 409 HB2 -0.07 -0.02 0.24 -0.04 2.71 2.81 3hp6A1 ASP 409 HB3 0.04 0.24 0.08 -0.04 2.70 3.01 3hp6A1 VAL 410 H -0.71 0.25 0.11 -0.55 8.24 7.34 3hp6A1 VAL 410 HA -0.63 0.06 0.40 -0.75 4.13 3.21 3hp6A1 VAL 410 HB -0.25 0.03 0.09 -0.04 2.12 1.95 3hp6A1 VAL 410 HG13 -0.13 0.05 -0.12 -0.04 0.97 0.73 3hp6A1 VAL 410 HG23 -0.53 0.01 0.03 -0.04 0.95 0.42 3hp6A1 ALA 411 H -0.09 0.04 -0.23 -0.55 8.40 7.58 3hp6A1 ALA 411 HA 0.04 0.17 0.23 -0.75 4.34 4.03 3hp6A1 ALA 411 HB3 0.03 0.04 -0.20 -0.04 1.41 1.24 3hp6A1 ALA 412 H -0.00 0.01 -0.25 -0.55 8.40 7.61 3hp6A1 ALA 412 HA 0.06 0.13 0.38 -0.75 4.34 4.16 3hp6A1 ALA 412 HB3 0.08 0.01 0.12 -0.04 1.41 1.57 3hp6A1 ALA 413 H 0.05 0.27 -0.18 -0.55 8.40 8.00 3hp6A1 ALA 413 HA 0.24 0.10 0.53 -0.75 4.34 4.45 3hp6A1 ALA 413 HB3 0.06 0.01 0.01 -0.04 1.41 1.45 3hp6A1 ALA 414 H 0.06 0.59 -0.07 -0.55 8.40 8.44 3hp6A1 ALA 414 HA 0.17 -0.01 0.35 -0.75 4.34 4.09 3hp6A1 ALA 414 HB3 0.16 0.04 0.04 -0.04 1.41 1.61 3hp6A1 LYS 415 H 0.11 0.37 -0.35 -0.55 8.42 8.00 3hp6A1 LYS 415 HA 0.09 0.01 0.44 -0.75 4.32 4.10 3hp6A1 LYS 415 HB2 0.08 0.14 0.10 -0.04 1.87 2.15 3hp6A1 LYS 415 HB3 0.06 -0.04 0.04 -0.04 1.79 1.81 3hp6A1 LYS 415 HG2 0.07 0.30 0.04 -0.04 1.46 1.83 3hp6A1 LYS 415 HG3 0.05 -0.09 -0.02 -0.04 1.46 1.37 3hp6A1 LYS 415 HD2 0.08 0.06 -0.10 -0.04 1.69 1.68 3hp6A1 LYS 415 HD3 0.05 -0.02 -0.03 -0.04 1.68 1.63 3hp6A1 LYS 415 HE2 0.04 0.00 0.02 -0.04 2.99 3.01 3hp6A1 LYS 415 HE3 0.03 -0.01 -0.05 -0.04 2.99 2.92 3hp6A1 MET 416 H 0.15 0.39 -0.29 -0.55 8.47 8.17 3hp6A1 MET 416 HA 0.03 0.05 0.50 -0.75 4.52 4.34 3hp6A1 MET 416 HB2 0.17 0.13 0.09 -0.04 2.15 2.50 3hp6A1 MET 416 HB3 -0.04 -0.03 0.08 -0.04 2.03 2.00 3hp6A1 MET 416 HG2 0.07 -0.03 0.06 -0.04 2.63 2.68 3hp6A1 MET 416 HG3 0.15 0.11 0.14 -0.04 2.56 2.92 3hp6A1 MET 416 HE3 0.08 0.01 0.01 -0.04 2.10 2.16 3hp6A1 LYS 417 H 0.12 0.34 -0.44 -0.55 8.42 7.89 3hp6A1 LYS 417 HA -0.01 0.20 0.81 -0.75 4.32 4.57 3hp6A1 LYS 417 HB2 0.15 -0.00 0.02 -0.04 1.87 2.00 3hp6A1 LYS 417 HB3 0.05 -0.02 0.13 -0.04 1.79 1.90 3hp6A1 LYS 417 HG2 -0.27 -0.03 -0.36 -0.04 1.46 0.75 3hp6A1 LYS 417 HG3 -0.13 -0.06 -0.11 -0.04 1.46 1.13 3hp6A1 LYS 417 HD2 -0.12 -0.06 -0.04 -0.04 1.69 1.42 3hp6A1 LYS 417 HD3 -0.12 0.10 0.01 -0.04 1.68 1.64 3hp6A1 LYS 417 HE2 -0.44 0.04 -0.14 -0.04 2.99 2.42 3hp6A1 LYS 417 HE3 -0.60 -0.05 -0.24 -0.04 2.99 2.06 3hp6A1 GLN 418 H 0.07 0.36 -0.23 -0.55 8.47 8.12 3hp6A1 GLN 418 HA 0.06 0.02 0.27 -0.75 4.36 3.96 3hp6A1 GLN 418 HB2 0.03 0.10 -0.22 -0.04 2.15 2.03 3hp6A1 GLN 418 HB3 0.02 -0.07 0.18 -0.04 2.02 2.11 3hp6A1 GLN 418 HG2 0.01 -0.05 -0.02 -0.04 2.40 2.30 3hp6A1 GLN 418 HG3 0.02 0.01 0.02 -0.04 2.39 2.40 3hp6A1 GLN 418 HE21 -0.00 0.05 -0.05 -0.04 6.97 6.93 3hp6A1 GLN 418 HE22 0.01 -0.03 0.00 -0.04 7.69 7.63 3hp6A1 TYR 419 H 0.22 0.54 -0.21 -0.55 8.29 8.29 3hp6A1 TYR 419 HA 0.04 0.08 0.75 -0.75 4.56 4.67 3hp6A1 TYR 419 HB2 0.07 0.11 -0.03 -0.04 3.06 3.16 3hp6A1 TYR 419 HB3 0.08 -0.05 0.09 -0.04 2.98 3.06 3hp6A1 TYR 419 HD2 0.05 0.04 -0.22 -0.04 7.15 6.98 3hp6A1 TYR 419 HE2 0.05 0.05 -0.18 -0.04 6.85 6.73 3hp6A1 GLU 420 H -0.26 0.15 0.08 -0.55 8.60 8.03 3hp6A1 GLU 420 HA 0.04 0.25 0.84 -0.75 4.29 4.66 3hp6A1 GLU 420 HB2 -0.02 -0.00 0.07 -0.04 2.09 2.10 3hp6A1 GLU 420 HB3 -0.00 0.04 -0.19 -0.04 1.99 1.79 3hp6A1 GLU 420 HG2 -0.10 0.01 0.01 -0.04 2.34 2.22 3hp6A1 GLU 420 HG3 -0.08 0.01 -0.14 -0.04 2.34 2.09 3hp6A1 ALA 421 H -0.54 0.06 -0.09 -0.55 8.40 7.30 3hp6A1 ALA 421 HA -0.07 0.18 0.38 -0.75 4.34 4.07 3hp6A1 ALA 421 HB3 -0.25 0.01 0.06 -0.04 1.41 1.19 3hp6A1 VAL 422 H 0.07 0.39 -0.86 -0.55 8.24 7.29 3hp6A1 VAL 422 HA 0.09 0.07 0.55 -0.75 4.13 4.09 3hp6A1 VAL 422 HB 0.19 0.15 -0.38 -0.04 2.12 2.04 3hp6A1 VAL 422 HG13 0.17 -0.04 -0.29 -0.04 0.97 0.77 3hp6A1 VAL 422 HG23 0.04 0.01 -0.24 -0.04 0.95 0.71 3hp6A1 ARG 423 H 0.11 0.12 0.03 -0.55 8.46 8.17 3hp6A1 ARG 423 HA 0.02 0.20 0.58 -0.75 4.34 4.38 3hp6A1 ARG 423 HB2 -0.05 -0.05 -0.01 -0.04 1.90 1.75 3hp6A1 ARG 423 HB3 -0.08 0.05 -0.01 -0.04 1.80 1.72 3hp6A1 ARG 423 HG2 -0.01 0.06 -0.05 -0.04 1.67 1.62 3hp6A1 ARG 423 HG3 0.01 -0.01 -0.04 -0.04 1.67 1.58 3hp6A1 ARG 423 HD2 -0.05 0.03 -0.06 -0.04 3.22 3.10 3hp6A1 ARG 423 HD3 -0.12 -0.02 -0.08 -0.04 3.22 2.95 3hp6A1 PRO 424 HA 0.03 -0.06 0.60 -0.51 4.44 4.50 3hp6A1 PRO 424 HB2 -0.01 -0.15 0.02 -0.04 2.28 2.10 3hp6A1 PRO 424 HB3 0.02 0.04 0.09 -0.04 2.02 2.12 3hp6A1 PRO 424 HG2 0.00 0.10 0.06 -0.04 2.03 2.15 3hp6A1 PRO 424 HG3 0.02 0.10 0.05 -0.04 2.03 2.16 3hp6A1 PRO 424 HD2 -0.02 0.10 0.20 -0.04 3.68 3.91 3hp6A1 PRO 424 HD3 0.01 0.30 0.21 -0.04 3.65 4.13 3hp6A1 ASP 425 H 0.06 0.08 0.17 -0.55 8.40 8.16 3hp6A1 ASP 425 HA -0.02 0.13 0.38 -0.75 4.63 4.37 3hp6A1 ASP 425 HB2 0.12 -0.04 0.14 -0.04 2.71 2.89 3hp6A1 ASP 425 HB3 0.29 0.13 -0.00 -0.04 2.70 3.07 3hp6A1 GLU 426 H 0.04 0.05 -0.24 -0.55 8.60 7.90 3hp6A1 GLU 426 HA 0.07 0.19 0.23 -0.75 4.29 4.03 3hp6A1 GLU 426 HB2 0.04 -0.05 0.03 -0.04 2.09 2.06 3hp6A1 GLU 426 HB3 0.02 0.05 -0.13 -0.04 1.99 1.89 3hp6A1 GLU 426 HG2 0.03 -0.03 -0.16 -0.04 2.34 2.14 3hp6A1 GLU 426 HG3 0.05 0.10 -0.10 -0.04 2.34 2.35 3hp6A1 ALA 427 H -0.05 0.14 -0.41 -0.55 8.40 7.53 3hp6A1 ALA 427 HA -0.05 0.07 0.44 -0.75 4.34 4.05 3hp6A1 ALA 427 HB3 -0.07 0.03 0.04 -0.04 1.41 1.37 3hp6A1 VAL 428 H -0.28 0.24 -0.22 -0.55 8.24 7.43 3hp6A1 VAL 428 HA -0.28 0.09 0.56 -0.75 4.13 3.76 3hp6A1 VAL 428 HB -1.04 0.01 0.09 -0.04 2.12 1.14 3hp6A1 VAL 428 HG13 -0.69 -0.00 -0.12 -0.04 0.97 0.11 3hp6A1 VAL 428 HG23 -0.67 -0.01 -0.08 -0.04 0.95 0.16 3hp6A1 TYR 429 H -0.17 0.54 0.05 -0.55 8.29 8.16 3hp6A1 TYR 429 HA -0.03 0.31 0.69 -0.75 4.56 4.77 3hp6A1 TYR 429 HB2 -0.01 0.01 0.03 -0.04 3.06 3.04 3hp6A1 TYR 429 HB3 -0.00 -0.08 0.03 -0.04 2.98 2.89 3hp6A1 TYR 429 HD2 0.01 0.12 -0.01 -0.04 7.15 7.22 3hp6A1 TYR 429 HE2 0.11 -0.06 -0.03 -0.04 6.85 6.83 3hp6A1 GLY 430 H 0.02 0.24 -0.28 -0.55 8.43 7.86 3hp6A1 GLY 430 HA2 0.01 -0.00 0.29 -0.51 4.01 3.80 3hp6A1 GLY 430 HA3 0.03 0.20 0.41 -0.51 4.01 4.14 3hp6A1 LYS 431 H 0.02 0.10 0.08 -0.55 8.42 8.06 3hp6A1 LYS 431 HA 0.03 0.20 0.85 -0.75 4.32 4.65 3hp6A1 LYS 431 HB2 0.02 -0.02 0.06 -0.04 1.87 1.89 3hp6A1 LYS 431 HB3 0.02 -0.00 0.02 -0.04 1.79 1.79 3hp6A1 LYS 431 HG2 0.01 0.02 0.05 -0.04 1.46 1.50 3hp6A1 LYS 431 HG3 0.01 -0.02 -0.00 -0.04 1.46 1.41 3hp6A1 LYS 431 HD2 0.01 -0.01 -0.03 -0.04 1.69 1.62 3hp6A1 LYS 431 HD3 0.01 -0.00 -0.02 -0.04 1.68 1.63 3hp6A1 LYS 431 HE2 0.01 0.02 -0.02 -0.04 2.99 2.95 3hp6A1 LYS 431 HE3 0.01 -0.00 -0.02 -0.04 2.99 2.94 3hp6A1 GLY 432 H 0.02 0.15 0.13 -0.55 8.43 8.18 3hp6A1 GLY 432 HA2 0.01 0.07 0.34 -0.51 4.01 3.93 3hp6A1 GLY 432 HA3 0.01 -0.02 0.32 -0.51 4.01 3.81 3hp6A1 ALA 433 H 0.01 0.12 0.20 -0.55 8.40 8.19 3hp6A1 ALA 433 HA 0.00 0.12 0.46 -0.75 4.34 4.17 3hp6A1 ALA 433 HB3 0.00 0.00 0.11 -0.04 1.41 1.49 3hp6A1 LYS 434 H 0.01 0.30 -0.27 -0.55 8.42 7.91 3hp6A1 LYS 434 HA 0.01 0.12 0.61 -0.75 4.32 4.31 3hp6A1 LYS 434 HB2 0.01 0.14 0.04 -0.04 1.87 2.02 3hp6A1 LYS 434 HB3 0.01 0.00 0.06 -0.04 1.79 1.83 3hp6A1 LYS 434 HG2 0.01 0.02 -0.01 -0.04 1.46 1.44 3hp6A1 LYS 434 HG3 0.01 -0.10 -0.06 -0.04 1.46 1.27 3hp6A1 LYS 434 HD2 0.00 -0.03 -0.00 -0.04 1.69 1.61 3hp6A1 LYS 434 HD3 0.01 -0.03 0.02 -0.04 1.68 1.64 3hp6A1 LYS 434 HE2 0.00 -0.03 0.00 -0.04 2.99 2.92 3hp6A1 LYS 434 HE3 0.00 0.03 0.01 -0.04 2.99 2.99 3hp6A1 ARG 435 H 0.02 0.24 -0.63 -0.55 8.46 7.53 3hp6A1 ARG 435 HA 0.05 0.26 0.18 -0.75 4.34 4.08 3hp6A1 ARG 435 HB2 0.02 0.10 -0.01 -0.04 1.90 1.96 3hp6A1 ARG 435 HB3 0.01 -0.06 -0.00 -0.04 1.80 1.70 3hp6A1 ARG 435 HG2 -0.00 -0.03 -0.18 -0.04 1.67 1.42 3hp6A1 ARG 435 HG3 0.03 0.07 -0.07 -0.04 1.67 1.66 3hp6A1 ARG 435 HD2 -0.00 -0.07 -0.01 -0.04 3.22 3.10 3hp6A1 ARG 435 HD3 -0.02 -0.04 -0.06 -0.04 3.22 3.06 3hp6A1 ALA 436 H 0.10 0.57 0.31 -0.55 8.40 8.83 3hp6A1 ALA 436 HA 0.04 -0.05 0.58 -0.75 4.34 4.15 3hp6A1 ALA 436 HB3 0.04 0.04 -0.11 -0.04 1.41 1.33 3hp6A1 VAL 437 H 0.06 0.09 0.12 -0.55 8.24 7.96 3hp6A1 VAL 437 HA 0.31 0.07 0.63 -0.75 4.13 4.39 3hp6A1 VAL 437 HB 0.07 -0.02 0.15 -0.04 2.12 2.27 3hp6A1 VAL 437 HG13 0.13 0.05 -0.06 -0.04 0.97 1.05 3hp6A1 VAL 437 HG23 0.03 -0.02 0.03 -0.04 0.95 0.95 3hp6A1 PRO 438 HA 0.02 0.13 0.41 -0.51 4.44 4.49 3hp6A1 PRO 438 HB2 -0.04 -0.09 0.10 -0.04 2.28 2.21 3hp6A1 PRO 438 HB3 -0.05 0.18 0.11 -0.04 2.02 2.22 3hp6A1 PRO 438 HG2 -0.03 -0.13 -0.12 -0.04 2.03 1.71 3hp6A1 PRO 438 HG3 -0.17 0.08 -0.06 -0.04 2.03 1.84 3hp6A1 PRO 438 HD2 0.20 -0.02 0.13 -0.04 3.68 3.95 3hp6A1 PRO 438 HD3 0.12 0.31 0.20 -0.04 3.65 4.24 3hp6A1 ASP 439 H -0.01 0.12 0.15 -0.55 8.40 8.11 3hp6A1 ASP 439 HA 0.01 0.12 0.59 -0.75 4.63 4.59 3hp6A1 ASP 439 HB2 -0.01 0.08 0.17 -0.04 2.71 2.92 3hp6A1 ASP 439 HB3 -0.01 -0.09 0.12 -0.04 2.70 2.67 3hp6A1 GLU 440 H 0.00 0.17 0.18 -0.55 8.60 8.40 3hp6A1 GLU 440 HA -0.05 0.07 0.25 -0.75 4.29 3.81 3hp6A1 GLU 440 HB2 0.02 0.06 0.16 -0.04 2.09 2.29 3hp6A1 GLU 440 HB3 -0.01 0.02 0.11 -0.04 1.99 2.07 3hp6A1 GLU 440 HG2 -0.14 -0.04 -0.20 -0.04 2.34 1.93 3hp6A1 GLU 440 HG3 -0.02 0.02 0.04 -0.04 2.34 2.34 3hp6A1 PRO 441 HA -0.03 0.07 0.52 -0.51 4.44 4.49 3hp6A1 PRO 441 HB2 -0.02 0.02 0.03 -0.04 2.28 2.27 3hp6A1 PRO 441 HB3 -0.01 0.06 0.07 -0.04 2.02 2.10 3hp6A1 PRO 441 HG2 -0.02 0.07 0.03 -0.04 2.03 2.07 3hp6A1 PRO 441 HG3 -0.02 0.06 0.05 -0.04 2.03 2.08 3hp6A1 PRO 441 HD2 -0.02 0.02 -0.19 -0.04 3.68 3.45 3hp6A1 PRO 441 HD3 -0.02 0.10 0.07 -0.04 3.65 3.76 3hp6A1 VAL 442 H -0.04 0.28 -0.13 -0.55 8.24 7.80 3hp6A1 VAL 442 HA -0.03 0.05 0.45 -0.75 4.13 3.85 3hp6A1 VAL 442 HB -0.05 0.08 0.10 -0.04 2.12 2.22 3hp6A1 VAL 442 HG13 -0.08 0.01 -0.05 -0.04 0.97 0.80 3hp6A1 VAL 442 HG23 -0.03 -0.01 0.04 -0.04 0.95 0.91 3hp6A1 LEU 443 H -0.07 0.50 -0.20 -0.55 8.37 8.05 3hp6A1 LEU 443 HA -0.01 0.04 0.40 -0.75 4.35 4.01 3hp6A1 LEU 443 HB2 0.04 0.08 -0.08 -0.04 1.64 1.64 3hp6A1 LEU 443 HB3 -0.06 0.02 -0.05 -0.04 1.64 1.52 3hp6A1 LEU 443 HG 0.07 -0.04 -0.36 -0.04 1.64 1.26 3hp6A1 LEU 443 HD13 0.26 -0.03 -0.09 -0.04 0.93 1.03 3hp6A1 LEU 443 HD23 0.15 0.05 -0.07 -0.04 0.89 0.98 3hp6A1 ALA 444 H -0.33 0.67 -0.16 -0.55 8.40 8.04 3hp6A1 ALA 444 HA -0.74 -0.01 0.36 -0.75 4.34 3.20 3hp6A1 ALA 444 HB3 -0.70 0.02 0.07 -0.04 1.41 0.76 3hp6A1 GLU 445 H -0.11 0.52 -0.14 -0.55 8.60 8.31 3hp6A1 GLU 445 HA -0.46 0.03 0.45 -0.75 4.29 3.56 3hp6A1 GLU 445 HB2 0.10 0.08 0.14 -0.04 2.09 2.37 3hp6A1 GLU 445 HB3 -0.01 0.08 0.10 -0.04 1.99 2.12 3hp6A1 GLU 445 HG2 0.01 -0.06 -0.11 -0.04 2.34 2.14 3hp6A1 GLU 445 HG3 0.15 0.02 0.04 -0.04 2.34 2.50 3hp6A1 HIS 446 H -0.01 0.53 -0.24 -0.55 8.41 8.14 3hp6A1 HIS 446 HA -0.08 -0.02 0.32 -0.75 4.63 4.09 3hp6A1 HIS 446 HB2 -0.14 0.04 0.09 -0.04 3.26 3.21 3hp6A1 HIS 446 HB3 -0.13 0.14 0.16 -0.04 3.20 3.33 3hp6A1 HIS 446 HD2 -0.12 0.04 -0.09 -0.04 6.97 6.76 3hp6A1 HIS 446 HE1 -0.05 0.12 -0.13 -0.04 7.75 7.65 3hp6A1 LEU 447 H -0.08 0.60 -0.18 -0.55 8.37 8.17 3hp6A1 LEU 447 HA -0.19 -0.02 0.35 -0.75 4.35 3.73 3hp6A1 LEU 447 HB2 0.11 0.11 0.00 -0.04 1.64 1.82 3hp6A1 LEU 447 HB3 0.07 -0.09 -0.10 -0.04 1.64 1.48 3hp6A1 LEU 447 HG 0.12 0.32 -0.06 -0.04 1.64 1.98 3hp6A1 LEU 447 HD13 0.27 -0.00 -0.29 -0.04 0.93 0.87 3hp6A1 LEU 447 HD23 0.09 -0.04 -0.13 -0.04 0.89 0.76 3hp6A1 VAL 448 H -0.24 0.58 -0.18 -0.55 8.24 7.85 3hp6A1 VAL 448 HA -0.11 -0.01 0.40 -0.75 4.13 3.65 3hp6A1 VAL 448 HB -0.57 0.13 0.08 -0.04 2.12 1.71 3hp6A1 VAL 448 HG13 -0.15 -0.02 -0.15 -0.04 0.97 0.61 3hp6A1 VAL 448 HG23 -0.59 0.06 -0.11 -0.04 0.95 0.28 3hp6A1 ARG 449 H -0.14 0.71 -0.13 -0.55 8.46 8.35 3hp6A1 ARG 449 HA 0.01 0.02 0.41 -0.75 4.34 4.03 3hp6A1 ARG 449 HB2 -0.02 0.06 0.16 -0.04 1.90 2.06 3hp6A1 ARG 449 HB3 0.05 0.00 0.11 -0.04 1.80 1.91 3hp6A1 ARG 449 HG2 0.03 -0.02 0.03 -0.04 1.67 1.68 3hp6A1 ARG 449 HG3 -0.02 0.07 0.03 -0.04 1.67 1.71 3hp6A1 ARG 449 HD2 0.03 -0.10 -0.09 -0.04 3.22 3.02 3hp6A1 ARG 449 HD3 0.04 0.13 -0.08 -0.04 3.22 3.27 3hp6A1 LYS 450 H -0.17 0.55 -0.22 -0.55 8.42 8.03 3hp6A1 LYS 450 HA -0.08 -0.03 0.48 -0.75 4.32 3.93 3hp6A1 LYS 450 HB2 -0.17 0.17 0.15 -0.04 1.87 1.98 3hp6A1 LYS 450 HB3 -0.12 -0.11 0.00 -0.04 1.79 1.52 3hp6A1 LYS 450 HG2 -0.21 -0.08 -0.01 -0.04 1.46 1.13 3hp6A1 LYS 450 HG3 -0.69 0.27 0.01 -0.04 1.46 1.02 3hp6A1 LYS 450 HD2 -0.18 -0.10 0.03 -0.04 1.69 1.40 3hp6A1 LYS 450 HD3 -0.13 -0.11 0.01 -0.04 1.68 1.42 3hp6A1 LYS 450 HE2 -0.45 0.06 -0.11 -0.04 2.99 2.45 3hp6A1 LYS 450 HE3 -0.13 0.03 -0.03 -0.04 2.99 2.82 3hp6A1 ALA 451 H -0.04 0.59 -0.17 -0.55 8.40 8.24 3hp6A1 ALA 451 HA 0.06 -0.04 0.21 -0.75 4.34 3.82 3hp6A1 ALA 451 HB3 0.02 0.03 -0.07 -0.04 1.41 1.35 3hp6A1 ALA 452 H 0.01 0.72 -0.17 -0.55 8.40 8.42 3hp6A1 ALA 452 HA 0.12 0.00 0.38 -0.75 4.34 4.08 3hp6A1 ALA 452 HB3 0.10 0.03 0.05 -0.04 1.41 1.54 3hp6A1 ALA 453 H 0.03 0.58 -0.24 -0.55 8.40 8.23 3hp6A1 ALA 453 HA -0.60 0.01 0.32 -0.75 4.34 3.31 3hp6A1 ALA 453 HB3 -0.16 0.02 0.00 -0.04 1.41 1.24 3hp6A1 ILE 454 H 0.02 0.56 -0.17 -0.55 8.25 8.11 3hp6A1 ILE 454 HA 0.05 -0.05 0.27 -0.75 4.18 3.70 3hp6A1 ILE 454 HB 0.15 0.16 0.03 -0.04 1.89 2.20 3hp6A1 ILE 454 HG12 0.13 -0.13 -0.16 -0.04 1.49 1.28 3hp6A1 ILE 454 HG13 0.03 0.07 -0.02 -0.04 1.21 1.25 3hp6A1 ILE 454 HG23 0.24 -0.02 -0.30 -0.04 0.93 0.81 3hp6A1 ILE 454 HD13 0.10 -0.03 -0.20 -0.04 0.88 0.71 3hp6A1 TRP 455 H 0.27 0.51 -0.30 -0.55 7.97 7.91 3hp6A1 TRP 455 HA -0.00 -0.02 0.37 -0.75 4.62 4.22 3hp6A1 TRP 455 HB2 0.03 0.03 0.13 -0.04 3.23 3.37 3hp6A1 TRP 455 HB3 0.01 0.20 0.17 -0.04 3.23 3.57 3hp6A1 TRP 455 HD1 0.02 0.02 -0.12 -0.04 7.22 7.10 3hp6A1 TRP 455 HE1 0.01 -0.00 -0.12 -0.04 10.20 10.05 3hp6A1 TRP 455 HE3 0.05 -0.03 -0.09 -0.04 7.59 7.48 3hp6A1 TRP 455 HZ2 -0.00 -0.02 -0.14 -0.04 7.44 7.24 3hp6A1 TRP 455 HZ3 0.06 -0.02 -0.35 -0.04 7.13 6.77 3hp6A1 TRP 455 HH2 0.02 0.00 -0.08 -0.04 7.19 7.09 3hp6A1 GLU 456 H 0.09 0.51 -0.13 -0.55 8.60 8.53 3hp6A1 GLU 456 HA -0.09 0.06 0.53 -0.75 4.29 4.03 3hp6A1 GLU 456 HB2 -0.10 0.04 0.09 -0.04 2.09 2.09 3hp6A1 GLU 456 HB3 0.12 -0.05 0.05 -0.04 1.99 2.07 3hp6A1 GLU 456 HG2 0.27 0.14 0.03 -0.04 2.34 2.74 3hp6A1 GLU 456 HG3 0.33 -0.06 -0.03 -0.04 2.34 2.55 3hp6A1 LEU 457 H -0.08 0.42 -0.25 -0.55 8.37 7.91 3hp6A1 LEU 457 HA 0.05 0.12 0.43 -0.75 4.35 4.19 3hp6A1 LEU 457 HB2 -0.05 0.05 0.00 -0.04 1.64 1.60 3hp6A1 LEU 457 HB3 0.16 -0.10 -0.02 -0.04 1.64 1.64 3hp6A1 LEU 457 HG -0.35 0.05 -0.06 -0.04 1.64 1.24 3hp6A1 LEU 457 HD13 -0.11 -0.05 -0.19 -0.04 0.93 0.54 3hp6A1 LEU 457 HD23 0.23 0.01 -0.05 -0.04 0.89 1.03 3hp6A1 GLU 458 H -0.19 0.39 -0.21 -0.55 8.60 8.05 3hp6A1 GLU 458 HA -0.92 -0.05 0.34 -0.75 4.29 2.90 3hp6A1 GLU 458 HB2 -0.48 0.10 0.10 -0.04 2.09 1.77 3hp6A1 GLU 458 HB3 -0.42 0.07 0.10 -0.04 1.99 1.69 3hp6A1 GLU 458 HG2 -0.54 -0.01 -0.26 -0.04 2.34 1.50 3hp6A1 GLU 458 HG3 -1.61 -0.09 -0.01 -0.04 2.34 0.59 3hp6A1 ARG 459 H -0.24 0.23 -0.14 -0.55 8.46 7.76 3hp6A1 ARG 459 HA -0.16 0.01 0.39 -0.75 4.34 3.83 3hp6A1 ARG 459 HB2 -0.16 0.09 0.10 -0.04 1.90 1.90 3hp6A1 ARG 459 HB3 -0.09 0.03 -0.05 -0.04 1.80 1.64 3hp6A1 ARG 459 HG2 -0.12 -0.03 0.03 -0.04 1.67 1.51 3hp6A1 ARG 459 HG3 -0.19 0.00 0.02 -0.04 1.67 1.46 3hp6A1 ARG 459 HD2 -0.13 0.00 0.00 -0.04 3.22 3.05 3hp6A1 ARG 459 HD3 -0.11 0.04 0.01 -0.04 3.22 3.12 3hp6A1 PRO 460 HA -0.04 0.03 0.49 -0.51 4.44 4.41 3hp6A1 PRO 460 HB2 0.03 0.06 0.00 -0.04 2.28 2.33 3hp6A1 PRO 460 HB3 -0.03 0.03 0.08 -0.04 2.02 2.05 3hp6A1 PRO 460 HG2 0.04 0.09 0.09 -0.04 2.03 2.21 3hp6A1 PRO 460 HG3 -0.00 0.01 0.07 -0.04 2.03 2.06 3hp6A1 PRO 460 HD2 -0.03 0.03 -0.25 -0.04 3.68 3.39 3hp6A1 PRO 460 HD3 -0.06 0.07 0.08 -0.04 3.65 3.70 3hp6A1 PHE 461 H 0.25 0.60 -0.21 -0.55 8.34 8.43 3hp6A1 PHE 461 HA 0.05 0.06 0.50 -0.75 4.62 4.47 3hp6A1 PHE 461 HB2 0.12 0.16 0.12 -0.04 3.15 3.52 3hp6A1 PHE 461 HB3 0.25 -0.09 -0.07 -0.04 3.06 3.11 3hp6A1 PHE 461 HD2 0.09 0.14 -0.09 -0.04 7.28 7.38 3hp6A1 PHE 461 HE2 0.07 -0.02 -0.10 -0.04 7.38 7.29 3hp6A1 PHE 461 HZ 0.08 0.19 -0.01 -0.04 7.32 7.54 3hp6A1 LEU 462 H 0.03 0.73 0.05 -0.55 8.37 8.63 3hp6A1 LEU 462 HA 0.11 -0.03 0.46 -0.75 4.35 4.14 3hp6A1 LEU 462 HB2 -0.07 0.09 0.15 -0.04 1.64 1.77 3hp6A1 LEU 462 HB3 -0.01 -0.06 0.04 -0.04 1.64 1.57 3hp6A1 LEU 462 HG -0.22 0.11 0.09 -0.04 1.64 1.59 3hp6A1 LEU 462 HD13 -0.19 -0.01 -0.09 -0.04 0.93 0.59 3hp6A1 LEU 462 HD23 0.18 -0.02 0.04 -0.04 0.89 1.04 3hp6A1 ASP 463 H -0.02 0.68 -0.15 -0.55 8.40 8.37 3hp6A1 ASP 463 HA -0.02 -0.02 0.45 -0.75 4.63 4.29 3hp6A1 ASP 463 HB2 -0.04 0.13 0.19 -0.04 2.71 2.94 3hp6A1 ASP 463 HB3 -0.03 -0.04 0.02 -0.04 2.70 2.61 3hp6A1 GLU 464 H -0.04 0.50 -0.15 -0.55 8.60 8.36 3hp6A1 GLU 464 HA -0.04 0.03 0.48 -0.75 4.29 4.01 3hp6A1 GLU 464 HB2 -0.11 0.02 0.11 -0.04 2.09 2.08 3hp6A1 GLU 464 HB3 -0.12 0.08 0.14 -0.04 1.99 2.05 3hp6A1 GLU 464 HG2 -0.05 0.00 -0.18 -0.04 2.34 2.07 3hp6A1 GLU 464 HG3 -0.05 -0.05 0.06 -0.04 2.34 2.26 3hp6A1 LEU 465 H 0.03 0.59 -0.10 -0.55 8.37 8.34 3hp6A1 LEU 465 HA 0.02 0.10 0.40 -0.75 4.35 4.12 3hp6A1 LEU 465 HB2 0.08 0.10 0.16 -0.04 1.64 1.94 3hp6A1 LEU 465 HB3 0.06 -0.14 -0.27 -0.04 1.64 1.25 3hp6A1 LEU 465 HG 0.13 0.09 0.04 -0.04 1.64 1.86 3hp6A1 LEU 465 HD13 0.22 -0.04 -0.08 -0.04 0.93 0.99 3hp6A1 LEU 465 HD23 0.08 0.03 -0.05 -0.04 0.89 0.91 3hp6A1 ARG 466 H 0.01 0.74 -0.13 -0.55 8.46 8.53 3hp6A1 ARG 466 HA -0.00 -0.16 0.44 -0.75 4.34 3.86 3hp6A1 ARG 466 HB2 0.00 0.06 0.15 -0.04 1.90 2.07 3hp6A1 ARG 466 HB3 -0.01 0.15 0.16 -0.04 1.80 2.06 3hp6A1 ARG 466 HG2 -0.01 0.02 -0.08 -0.04 1.67 1.55 3hp6A1 ARG 466 HG3 -0.01 -0.08 0.07 -0.04 1.67 1.61 3hp6A1 ARG 466 HD2 -0.01 0.02 -0.01 -0.04 3.22 3.18 3hp6A1 ARG 466 HD3 -0.01 -0.02 -0.00 -0.04 3.22 3.15 3hp6A1 ARG 467 H -0.02 0.43 -0.22 -0.55 8.46 8.10 3hp6A1 ARG 467 HA -0.02 0.00 0.43 -0.75 4.34 4.00 3hp6A1 ARG 467 HB2 -0.02 0.00 0.18 -0.04 1.90 2.01 3hp6A1 ARG 467 HB3 -0.02 0.00 0.07 -0.04 1.80 1.81 3hp6A1 ARG 467 HG2 -0.02 -0.09 0.07 -0.04 1.67 1.59 3hp6A1 ARG 467 HG3 -0.02 0.53 0.19 -0.04 1.67 2.32 3hp6A1 ARG 467 HD2 -0.02 0.00 0.02 -0.04 3.22 3.18 3hp6A1 ARG 467 HD3 -0.02 -0.06 -0.00 -0.04 3.22 3.09 3hp6A1 ASN 468 H -0.02 0.50 -0.20 -0.55 8.53 8.26 3hp6A1 ASN 468 HA -0.04 0.10 0.58 -0.75 4.76 4.65 3hp6A1 ASN 468 HB2 -0.02 -0.01 0.13 -0.04 2.88 2.94 3hp6A1 ASN 468 HB3 -0.05 0.03 0.13 -0.04 2.79 2.85 3hp6A1 ASN 468 HD21 0.00 -0.02 0.02 -0.04 7.03 6.99 3hp6A1 ASN 468 HD22 -0.01 0.01 0.01 -0.04 7.74 7.70 3hp6A1 GLU 469 H -0.04 0.35 -0.55 -0.55 8.60 7.81 3hp6A1 GLU 469 HA -0.08 -0.04 0.34 -0.75 4.29 3.76 3hp6A1 GLU 469 HB2 -0.15 0.02 -0.11 -0.04 2.09 1.81 3hp6A1 GLU 469 HB3 -0.28 0.20 0.20 -0.04 1.99 2.07 3hp6A1 GLU 469 HG2 -0.54 -0.04 0.17 -0.04 2.34 1.89 3hp6A1 GLU 469 HG3 -0.18 -0.06 0.10 -0.04 2.34 2.16 3hp6A1 GLN 470 H -0.01 0.63 -0.06 -0.55 8.47 8.48 3hp6A1 GLN 470 HA 0.04 0.21 0.80 -0.75 4.36 4.66 3hp6A1 GLN 470 HB2 0.02 -0.00 0.02 -0.04 2.15 2.14 3hp6A1 GLN 470 HB3 0.03 -0.13 0.09 -0.04 2.02 1.98 3hp6A1 GLN 470 HG2 0.03 0.18 -0.06 -0.04 2.40 2.51 3hp6A1 GLN 470 HG3 -0.01 0.18 -0.32 -0.04 2.39 2.20 3hp6A1 GLN 470 HE21 -0.04 0.14 0.12 -0.04 6.97 7.15 3hp6A1 GLN 470 HE22 -0.02 0.13 0.22 -0.04 7.69 7.98 3hp6A1 ASP 471 H 0.01 0.21 -0.15 -0.55 8.40 7.93 3hp6A1 ASP 471 HA 0.05 0.09 0.40 -0.75 4.63 4.42 3hp6A1 ASP 471 HB2 0.03 0.04 0.04 -0.04 2.71 2.77 3hp6A1 ASP 471 HB3 0.02 0.03 -0.03 -0.04 2.70 2.68 3hp6A1 ARG 472 H 0.02 0.19 -0.17 -0.55 8.46 7.95 3hp6A1 ARG 472 HA 0.03 0.07 0.57 -0.75 4.34 4.25 3hp6A1 ARG 472 HB2 0.04 0.09 -0.00 -0.04 1.90 2.00 3hp6A1 ARG 472 HB3 0.03 0.05 0.00 -0.04 1.80 1.84 3hp6A1 ARG 472 HG2 0.02 0.03 -0.01 -0.04 1.67 1.66 3hp6A1 ARG 472 HG3 0.02 -0.09 -0.02 -0.04 1.67 1.53 3hp6A1 ARG 472 HD2 0.01 0.01 -0.01 -0.04 3.22 3.19 3hp6A1 ARG 472 HD3 0.02 0.05 -0.01 -0.04 3.22 3.24 3hp6A1 LEU 473 H 0.05 0.12 -0.39 -0.55 8.37 7.60 3hp6A1 LEU 473 HA 0.04 0.07 0.45 -0.75 4.35 4.15 3hp6A1 LEU 473 HB2 0.07 0.19 0.13 -0.04 1.64 1.98 3hp6A1 LEU 473 HB3 0.05 0.16 0.10 -0.04 1.64 1.91 3hp6A1 LEU 473 HG 0.04 -0.10 -0.12 -0.04 1.64 1.41 3hp6A1 LEU 473 HD13 0.03 0.04 0.04 -0.04 0.93 0.99 3hp6A1 LEU 473 HD23 0.03 0.03 -0.12 -0.04 0.89 0.78 3hp6A1 LEU 474 H 0.05 0.45 -0.23 -0.55 8.37 8.09 3hp6A1 LEU 474 HA 0.03 -0.00 0.60 -0.75 4.35 4.22 3hp6A1 LEU 474 HB2 0.07 0.06 0.08 -0.04 1.64 1.80 3hp6A1 LEU 474 HB3 0.07 0.13 0.18 -0.04 1.64 1.98 3hp6A1 LEU 474 HG 0.03 0.04 -0.28 -0.04 1.64 1.40 3hp6A1 LEU 474 HD13 -0.05 -0.03 -0.10 -0.04 0.93 0.71 3hp6A1 LEU 474 HD23 0.15 -0.02 -0.00 -0.04 0.89 0.98 3hp6A1 VAL 475 H 0.04 0.53 0.04 -0.55 8.24 8.30 3hp6A1 VAL 475 HA 0.02 0.06 0.29 -0.75 4.13 3.75 3hp6A1 VAL 475 HB 0.03 0.03 0.14 -0.04 2.12 2.27 3hp6A1 VAL 475 HG13 0.02 0.01 -0.01 -0.04 0.97 0.95 3hp6A1 VAL 475 HG23 0.07 0.01 0.07 -0.04 0.95 1.05 3hp6A1 GLU 476 H 0.02 0.44 -0.06 -0.55 8.60 8.45 3hp6A1 GLU 476 HA 0.01 0.20 0.83 -0.75 4.29 4.57 3hp6A1 GLU 476 HB2 0.02 0.13 0.06 -0.04 2.09 2.26 3hp6A1 GLU 476 HB3 0.01 -0.01 0.10 -0.04 1.99 2.05 3hp6A1 GLU 476 HG2 0.01 0.05 -0.07 -0.04 2.34 2.29 3hp6A1 GLU 476 HG3 0.02 -0.13 -0.06 -0.04 2.34 2.13 3hp6A1 LEU 477 H 0.01 0.10 -0.33 -0.55 8.37 7.60 3hp6A1 LEU 477 HA 0.00 0.22 1.02 -0.75 4.35 4.84 3hp6A1 LEU 477 HB2 0.01 -0.00 -0.05 -0.04 1.64 1.56 3hp6A1 LEU 477 HB3 0.02 0.18 0.25 -0.04 1.64 2.05 3hp6A1 LEU 477 HG 0.01 -0.04 -0.10 -0.04 1.64 1.46 3hp6A1 LEU 477 HD13 0.00 0.01 0.02 -0.04 0.93 0.92 3hp6A1 LEU 477 HD23 0.02 -0.01 -0.05 -0.04 0.89 0.81 3hp6A1 GLU 478 H 0.02 0.63 0.30 -0.55 8.60 9.00 3hp6A1 GLU 478 HA 0.01 0.03 0.34 -0.75 4.29 3.91 3hp6A1 GLU 478 HB2 0.02 0.01 0.19 -0.04 2.09 2.27 3hp6A1 GLU 478 HB3 0.02 -0.10 0.06 -0.04 1.99 1.93 3hp6A1 GLU 478 HG2 0.05 0.15 0.11 -0.04 2.34 2.60 3hp6A1 GLU 478 HG3 0.09 0.00 0.00 -0.04 2.34 2.39 3hp6A1 GLN 479 H -0.01 0.66 0.00 -0.55 8.47 8.58 3hp6A1 GLN 479 HA -0.05 -0.12 0.36 -0.75 4.36 3.80 3hp6A1 GLN 479 HB2 -0.02 0.22 0.09 -0.04 2.15 2.40 3hp6A1 GLN 479 HB3 -0.04 0.06 -0.07 -0.04 2.02 1.93 3hp6A1 GLN 479 HG2 -0.10 -0.16 -0.06 -0.04 2.40 2.04 3hp6A1 GLN 479 HG3 -0.07 -0.05 -0.02 -0.04 2.39 2.21 3hp6A1 GLN 479 HE21 0.06 0.23 -0.08 -0.04 6.97 7.13 3hp6A1 GLN 479 HE22 0.00 0.14 -0.06 -0.04 7.69 7.74 3hp6A1 PRO 480 HA -0.03 0.06 0.49 -0.51 4.44 4.45 3hp6A1 PRO 480 HB2 -0.01 0.08 -0.07 -0.04 2.28 2.24 3hp6A1 PRO 480 HB3 -0.02 0.01 0.04 -0.04 2.02 2.01 3hp6A1 PRO 480 HG2 -0.01 0.17 -0.18 -0.04 2.03 1.97 3hp6A1 PRO 480 HG3 -0.01 0.06 0.02 -0.04 2.03 2.07 3hp6A1 PRO 480 HD2 -0.01 -0.02 -0.72 -0.04 3.68 2.90 3hp6A1 PRO 480 HD3 -0.01 0.24 -0.12 -0.04 3.65 3.72 3hp6A1 LEU 481 H -0.02 0.56 -0.31 -0.55 8.37 8.05 3hp6A1 LEU 481 HA -0.03 0.00 0.45 -0.75 4.35 4.02 3hp6A1 LEU 481 HB2 -0.02 0.12 0.08 -0.04 1.64 1.78 3hp6A1 LEU 481 HB3 -0.02 0.11 0.15 -0.04 1.64 1.84 3hp6A1 LEU 481 HG -0.04 -0.11 -0.15 -0.04 1.64 1.30 3hp6A1 LEU 481 HD13 -0.05 0.01 0.03 -0.04 0.93 0.88 3hp6A1 LEU 481 HD23 -0.02 -0.01 -0.03 -0.04 0.89 0.79 3hp6A1 SER 482 H -0.03 0.58 -0.12 -0.55 8.46 8.34 3hp6A1 SER 482 HA -0.02 -0.06 0.37 -0.75 4.49 4.03 3hp6A1 SER 482 HB2 -0.06 -0.01 0.14 -0.04 3.95 3.98 3hp6A1 SER 482 HB3 -0.05 0.32 0.16 -0.04 3.93 4.31 3hp6A1 SER 483 H -0.03 0.39 -0.30 -0.55 8.46 7.97 3hp6A1 SER 483 HA -0.03 0.00 0.51 -0.75 4.49 4.22 3hp6A1 SER 483 HB2 -0.03 0.20 0.18 -0.04 3.95 4.25 3hp6A1 SER 483 HB3 -0.03 0.02 0.01 -0.04 3.93 3.89 3hp6A1 ILE 484 H -0.02 0.40 -0.04 -0.55 8.25 8.04 3hp6A1 ILE 484 HA 0.00 0.06 0.52 -0.75 4.18 4.01 3hp6A1 ILE 484 HB -0.03 0.11 0.17 -0.04 1.89 2.10 3hp6A1 ILE 484 HG12 -0.01 -0.02 0.04 -0.04 1.49 1.45 3hp6A1 ILE 484 HG13 -0.02 0.08 0.08 -0.04 1.21 1.32 3hp6A1 ILE 484 HG23 -0.02 -0.02 -0.14 -0.04 0.93 0.71 3hp6A1 ILE 484 HD13 -0.02 0.01 -0.12 -0.04 0.88 0.71 3hp6A1 LEU 485 H -0.01 0.71 -0.03 -0.55 8.37 8.49 3hp6A1 LEU 485 HA 0.03 0.02 0.53 -0.75 4.35 4.18 3hp6A1 LEU 485 HB2 0.05 0.10 0.13 -0.04 1.64 1.87 3hp6A1 LEU 485 HB3 0.15 -0.09 0.05 -0.04 1.64 1.72 3hp6A1 LEU 485 HG -0.06 0.17 0.00 -0.04 1.64 1.71 3hp6A1 LEU 485 HD13 0.01 -0.02 -0.08 -0.04 0.93 0.80 3hp6A1 LEU 485 HD23 -0.36 -0.02 -0.04 -0.04 0.89 0.43 3hp6A1 ALA 486 H 0.05 0.49 -0.22 -0.55 8.40 8.17 3hp6A1 ALA 486 HA 0.15 -0.04 0.37 -0.75 4.34 4.08 3hp6A1 ALA 486 HB3 0.01 0.04 0.13 -0.04 1.41 1.55 3hp6A1 GLU 487 H 0.06 0.35 -0.31 -0.55 8.60 8.16 3hp6A1 GLU 487 HA 0.10 0.04 0.42 -0.75 4.29 4.10 3hp6A1 GLU 487 HB2 0.05 0.14 0.18 -0.04 2.09 2.42 3hp6A1 GLU 487 HB3 0.04 -0.02 0.01 -0.04 1.99 1.98 3hp6A1 GLU 487 HG2 -0.01 -0.03 0.03 -0.04 2.34 2.29 3hp6A1 GLU 487 HG3 0.00 0.20 0.10 -0.04 2.34 2.60 3hp6A1 MET 488 H 0.12 0.37 -0.10 -0.55 8.47 8.32 3hp6A1 MET 488 HA 0.17 0.15 0.52 -0.75 4.52 4.60 3hp6A1 MET 488 HB2 0.19 -0.02 0.16 -0.04 2.15 2.44 3hp6A1 MET 488 HB3 0.25 0.07 -0.09 -0.04 2.03 2.21 3hp6A1 MET 488 HG2 0.08 0.07 -0.34 -0.04 2.63 2.40 3hp6A1 MET 488 HG3 0.07 0.09 0.02 -0.04 2.56 2.70 3hp6A1 MET 488 HE3 -0.18 -0.02 -0.36 -0.04 2.10 1.49 3hp6A1 GLU 489 H 0.29 0.62 -0.05 -0.55 8.60 8.92 3hp6A1 GLU 489 HA 0.29 -0.00 0.45 -0.75 4.29 4.27 3hp6A1 GLU 489 HB2 0.40 0.04 0.13 -0.04 2.09 2.62 3hp6A1 GLU 489 HB3 0.54 0.08 0.05 -0.04 1.99 2.63 3hp6A1 GLU 489 HG2 0.30 -0.08 -0.03 -0.04 2.34 2.49 3hp6A1 GLU 489 HG3 0.40 0.27 0.12 -0.04 2.34 3.09 3hp6A1 PHE 490 H 0.38 0.44 -0.16 -0.55 8.34 8.45 3hp6A1 PHE 490 HA 0.25 -0.01 0.40 -0.75 4.62 4.51 3hp6A1 PHE 490 HB2 0.03 -0.05 0.13 -0.04 3.15 3.22 3hp6A1 PHE 490 HB3 -0.02 0.06 0.16 -0.04 3.06 3.21 3hp6A1 PHE 490 HD2 -0.56 -0.02 -0.05 -0.04 7.28 6.61 3hp6A1 PHE 490 HE2 -0.97 -0.04 -0.12 -0.04 7.38 6.21 3hp6A1 PHE 490 HZ -0.44 0.02 -0.06 -0.04 7.32 6.79 3hp6A1 ALA 491 H 0.15 0.49 -0.11 -0.55 8.40 8.39 3hp6A1 ALA 491 HA -0.20 -0.05 0.46 -0.75 4.34 3.80 3hp6A1 ALA 491 HB3 0.01 -0.01 0.15 -0.04 1.41 1.53 3hp6A1 GLY 492 H 0.09 0.38 -0.17 -0.55 8.43 8.18 3hp6A1 GLY 492 HA2 -0.14 0.03 0.46 -0.51 4.01 3.84 3hp6A1 GLY 492 HA3 -0.51 0.03 0.46 -0.51 4.01 3.48 3hp6A1 VAL 493 H -0.18 0.48 0.36 -0.55 8.24 8.35 3hp6A1 VAL 493 HA -0.01 0.13 0.84 -0.75 4.13 4.34 3hp6A1 VAL 493 HB 0.12 -0.07 0.08 -0.04 2.12 2.20 3hp6A1 VAL 493 HG13 0.17 0.02 -0.04 -0.04 0.97 1.07 3hp6A1 VAL 493 HG23 0.01 -0.00 -0.16 -0.04 0.95 0.75 3hp6A1 LYS 494 H -0.01 0.18 0.14 -0.55 8.42 8.17 3hp6A1 LYS 494 HA -0.08 0.19 0.64 -0.75 4.32 4.31 3hp6A1 LYS 494 HB2 -0.07 -0.03 -0.01 -0.04 1.87 1.72 3hp6A1 LYS 494 HB3 -0.03 0.15 -0.09 -0.04 1.79 1.78 3hp6A1 LYS 494 HG2 -0.05 -0.09 -0.21 -0.04 1.46 1.07 3hp6A1 LYS 494 HG3 -0.07 0.11 0.02 -0.04 1.46 1.49 3hp6A1 LYS 494 HD2 -0.08 0.03 0.04 -0.04 1.69 1.63 3hp6A1 LYS 494 HD3 -0.06 0.06 -0.06 -0.04 1.68 1.58 3hp6A1 LYS 494 HE2 -0.04 -0.14 -0.05 -0.04 2.99 2.72 3hp6A1 LYS 494 HE3 -0.05 0.14 0.02 -0.04 2.99 3.05 3hp6A1 VAL 495 H -0.10 0.75 0.41 -0.55 8.24 8.74 3hp6A1 VAL 495 HA -0.23 0.35 1.10 -0.75 4.13 4.60 3hp6A1 VAL 495 HB -0.16 0.06 0.07 -0.04 2.12 2.05 3hp6A1 VAL 495 HG13 -0.25 -0.04 -0.21 -0.04 0.97 0.43 3hp6A1 VAL 495 HG23 -0.49 0.00 -0.20 -0.04 0.95 0.23 3hp6A1 ASP 496 H -0.12 0.65 0.29 -0.55 8.40 8.67 3hp6A1 ASP 496 HA -0.05 0.11 0.73 -0.75 4.63 4.67 3hp6A1 ASP 496 HB2 -0.03 0.15 0.14 -0.04 2.71 2.94 3hp6A1 ASP 496 HB3 -0.05 -0.05 0.31 -0.04 2.70 2.87 3hp6A1 THR 497 H -0.05 0.38 0.13 -0.55 8.28 8.19 3hp6A1 THR 497 HA -0.06 0.09 0.34 -0.75 4.39 4.02 3hp6A1 THR 497 HB -0.03 -0.00 0.02 -0.04 4.32 4.26 3hp6A1 THR 497 HG23 -0.05 0.07 -0.02 -0.04 1.22 1.18 3hp6A1 LYS 498 H -0.03 0.14 -0.08 -0.55 8.42 7.90 3hp6A1 LYS 498 HA -0.02 0.09 0.46 -0.75 4.32 4.10 3hp6A1 LYS 498 HB2 -0.02 -0.01 0.08 -0.04 1.87 1.87 3hp6A1 LYS 498 HB3 -0.02 0.03 -0.01 -0.04 1.79 1.74 3hp6A1 LYS 498 HG2 -0.02 0.02 0.03 -0.04 1.46 1.46 3hp6A1 LYS 498 HG3 -0.02 0.03 0.06 -0.04 1.46 1.49 3hp6A1 LYS 498 HD2 -0.01 0.01 0.01 -0.04 1.69 1.65 3hp6A1 LYS 498 HD3 -0.01 -0.01 0.01 -0.04 1.68 1.62 3hp6A1 LYS 498 HE2 -0.01 0.00 0.00 -0.04 2.99 2.95 3hp6A1 LYS 498 HE3 -0.01 0.01 0.01 -0.04 2.99 2.95 3hp6A1 ARG 499 H -0.03 0.14 -0.26 -0.55 8.46 7.76 3hp6A1 ARG 499 HA -0.03 0.04 0.46 -0.75 4.34 4.06 3hp6A1 ARG 499 HB2 -0.03 -0.01 0.08 -0.04 1.90 1.90 3hp6A1 ARG 499 HB3 -0.03 0.15 0.10 -0.04 1.80 1.97 3hp6A1 ARG 499 HG2 -0.03 0.02 -0.15 -0.04 1.67 1.46 3hp6A1 ARG 499 HG3 -0.03 -0.06 0.03 -0.04 1.67 1.57 3hp6A1 ARG 499 HD2 -0.03 0.01 -0.03 -0.04 3.22 3.12 3hp6A1 ARG 499 HD3 -0.03 0.05 -0.21 -0.04 3.22 2.98 3hp6A1 LEU 500 H -0.04 0.48 -0.08 -0.55 8.37 8.19 3hp6A1 LEU 500 HA -0.02 0.00 0.46 -0.75 4.35 4.04 3hp6A1 LEU 500 HB2 -0.04 0.10 0.18 -0.04 1.64 1.84 3hp6A1 LEU 500 HB3 -0.02 -0.02 0.05 -0.04 1.64 1.60 3hp6A1 LEU 500 HG -0.08 0.07 0.07 -0.04 1.64 1.66 3hp6A1 LEU 500 HD13 -0.08 0.01 -0.04 -0.04 0.93 0.78 3hp6A1 LEU 500 HD23 -0.01 0.00 0.09 -0.04 0.89 0.94 3hp6A1 GLU 501 H -0.02 0.64 -0.17 -0.55 8.60 8.49 3hp6A1 GLU 501 HA -0.02 0.00 0.41 -0.75 4.29 3.93 3hp6A1 GLU 501 HB2 -0.02 0.09 0.18 -0.04 2.09 2.29 3hp6A1 GLU 501 HB3 -0.02 -0.06 0.01 -0.04 1.99 1.89 3hp6A1 GLU 501 HG2 -0.02 -0.04 0.01 -0.04 2.34 2.26 3hp6A1 GLU 501 HG3 -0.02 0.01 0.01 -0.04 2.34 2.30 3hp6A1 GLN 502 H -0.02 0.49 -0.22 -0.55 8.47 8.18 3hp6A1 GLN 502 HA -0.01 0.00 0.50 -0.75 4.36 4.09 3hp6A1 GLN 502 HB2 -0.02 0.06 0.13 -0.04 2.15 2.29 3hp6A1 GLN 502 HB3 -0.02 0.10 0.22 -0.04 2.02 2.28 3hp6A1 GLN 502 HG2 -0.02 -0.00 -0.00 -0.04 2.40 2.33 3hp6A1 GLN 502 HG3 -0.02 -0.02 -0.14 -0.04 2.39 2.16 3hp6A1 GLN 502 HE21 -0.01 -0.00 0.01 -0.04 6.97 6.93 3hp6A1 GLN 502 HE22 -0.01 -0.02 -0.03 -0.04 7.69 7.58 3hp6A1 MET 503 H -0.02 0.68 0.05 -0.55 8.47 8.63 3hp6A1 MET 503 HA -0.02 -0.04 0.43 -0.75 4.52 4.14 3hp6A1 MET 503 HB2 -0.01 0.16 0.16 -0.04 2.15 2.42 3hp6A1 MET 503 HB3 -0.01 -0.07 -0.02 -0.04 2.03 1.89 3hp6A1 MET 503 HG2 -0.03 -0.07 0.01 -0.04 2.63 2.50 3hp6A1 MET 503 HG3 -0.03 0.14 0.05 -0.04 2.56 2.69 3hp6A1 MET 503 HE3 -0.02 -0.03 -0.11 -0.04 2.10 1.90 3hp6A1 GLY 504 H -0.01 0.61 -0.30 -0.55 8.43 8.18 3hp6A1 GLY 504 HA2 -0.01 -0.06 0.36 -0.51 4.01 3.79 3hp6A1 GLY 504 HA3 -0.01 0.11 0.28 -0.51 4.01 3.88 3hp6A1 LYS 505 H -0.01 0.56 -0.08 -0.55 8.42 8.33 3hp6A1 LYS 505 HA -0.01 0.00 0.46 -0.75 4.32 4.02 3hp6A1 LYS 505 HB2 -0.01 0.10 0.18 -0.04 1.87 2.10 3hp6A1 LYS 505 HB3 -0.01 0.07 0.21 -0.04 1.79 2.02 3hp6A1 LYS 505 HG2 -0.01 -0.01 -0.01 -0.04 1.46 1.39 3hp6A1 LYS 505 HG3 -0.01 -0.06 -0.06 -0.04 1.46 1.29 3hp6A1 LYS 505 HD2 -0.01 -0.01 0.04 -0.04 1.69 1.67 3hp6A1 LYS 505 HD3 -0.01 0.02 0.02 -0.04 1.68 1.67 3hp6A1 LYS 505 HE2 -0.00 -0.01 -0.02 -0.04 2.99 2.92 3hp6A1 LYS 505 HE3 -0.00 -0.02 -0.00 -0.04 2.99 2.92 3hp6A1 GLU 506 H -0.01 0.57 -0.03 -0.55 8.60 8.59 3hp6A1 GLU 506 HA -0.01 -0.00 0.40 -0.75 4.29 3.93 3hp6A1 GLU 506 HB2 -0.01 0.11 0.12 -0.04 2.09 2.26 3hp6A1 GLU 506 HB3 -0.01 -0.07 0.04 -0.04 1.99 1.91 3hp6A1 GLU 506 HG2 -0.01 -0.05 0.02 -0.04 2.34 2.26 3hp6A1 GLU 506 HG3 -0.01 0.20 0.10 -0.04 2.34 2.59 3hp6A1 LEU 507 H -0.02 0.71 -0.12 -0.55 8.37 8.39 3hp6A1 LEU 507 HA -0.03 -0.05 0.39 -0.75 4.35 3.91 3hp6A1 LEU 507 HB2 -0.02 0.31 0.18 -0.04 1.64 2.06 3hp6A1 LEU 507 HB3 -0.04 -0.01 -0.00 -0.04 1.64 1.55 3hp6A1 LEU 507 HG -0.06 -0.02 0.01 -0.04 1.64 1.52 3hp6A1 LEU 507 HD13 -0.03 -0.01 -0.01 -0.04 0.93 0.84 3hp6A1 LEU 507 HD23 -0.01 -0.02 -0.17 -0.04 0.89 0.64 3hp6A1 ALA 508 H -0.02 0.67 -0.08 -0.55 8.40 8.42 3hp6A1 ALA 508 HA -0.02 -0.06 0.42 -0.75 4.34 3.93 3hp6A1 ALA 508 HB3 -0.01 0.06 0.13 -0.04 1.41 1.54 3hp6A1 GLU 509 H -0.01 0.41 -0.34 -0.55 8.60 8.11 3hp6A1 GLU 509 HA 0.00 0.03 0.59 -0.75 4.29 4.16 3hp6A1 GLU 509 HB2 -0.00 0.14 0.16 -0.04 2.09 2.35 3hp6A1 GLU 509 HB3 0.00 -0.06 0.04 -0.04 1.99 1.93 3hp6A1 GLU 509 HG2 0.00 -0.05 0.01 -0.04 2.34 2.26 3hp6A1 GLU 509 HG3 -0.00 0.28 0.04 -0.04 2.34 2.62 3hp6A1 GLN 510 H -0.01 0.59 0.06 -0.55 8.47 8.57 3hp6A1 GLN 510 HA 0.02 0.03 0.57 -0.75 4.36 4.22 3hp6A1 GLN 510 HB2 -0.03 0.12 0.22 -0.04 2.15 2.42 3hp6A1 GLN 510 HB3 -0.01 -0.08 -0.00 -0.04 2.02 1.89 3hp6A1 GLN 510 HG2 0.03 -0.03 0.03 -0.04 2.40 2.39 3hp6A1 GLN 510 HG3 0.00 0.13 0.01 -0.04 2.39 2.50 3hp6A1 GLN 510 HE21 0.03 -0.04 -0.03 -0.04 6.97 6.89 3hp6A1 GLN 510 HE22 0.01 0.03 -0.07 -0.04 7.69 7.62 3hp6A1 LEU 511 H -0.03 0.95 0.08 -0.55 8.37 8.82 3hp6A1 LEU 511 HA 0.00 -0.05 0.44 -0.75 4.35 3.98 3hp6A1 LEU 511 HB2 -0.03 0.20 0.17 -0.04 1.64 1.93 3hp6A1 LEU 511 HB3 0.01 0.03 -0.01 -0.04 1.64 1.63 3hp6A1 LEU 511 HG -0.09 -0.03 -0.02 -0.04 1.64 1.46 3hp6A1 LEU 511 HD13 -0.33 -0.03 -0.04 -0.04 0.93 0.49 3hp6A1 LEU 511 HD23 -0.10 0.01 -0.15 -0.04 0.89 0.60 3hp6A1 GLY 512 H 0.01 0.54 -0.25 -0.55 8.43 8.19 3hp6A1 GLY 512 HA2 0.03 -0.03 0.37 -0.51 4.01 3.86 3hp6A1 GLY 512 HA3 0.02 0.11 0.31 -0.51 4.01 3.94 3hp6A1 THR 513 H 0.02 0.41 -0.29 -0.55 8.28 7.87 3hp6A1 THR 513 HA 0.01 0.02 0.51 -0.75 4.39 4.18 3hp6A1 THR 513 HB 0.03 0.13 0.26 -0.04 4.32 4.69 3hp6A1 THR 513 HG23 0.03 -0.02 -0.09 -0.04 1.22 1.09 3hp6A1 VAL 514 H 0.03 0.73 0.07 -0.55 8.24 8.52 3hp6A1 VAL 514 HA 0.04 0.01 0.39 -0.75 4.13 3.81 3hp6A1 VAL 514 HB 0.10 0.07 0.14 -0.04 2.12 2.38 3hp6A1 VAL 514 HG13 0.10 -0.04 -0.05 -0.04 0.97 0.94 3hp6A1 VAL 514 HG23 0.12 0.03 0.01 -0.04 0.95 1.06 3hp6A1 GLU 515 H -0.02 0.69 -0.11 -0.55 8.60 8.61 3hp6A1 GLU 515 HA -0.55 -0.04 0.41 -0.75 4.29 3.35 3hp6A1 GLU 515 HB2 -0.03 0.22 0.14 -0.04 2.09 2.37 3hp6A1 GLU 515 HB3 -0.10 0.13 0.14 -0.04 1.99 2.12 3hp6A1 GLU 515 HG2 -0.74 -0.04 -0.04 -0.04 2.34 1.48 3hp6A1 GLU 515 HG3 -0.36 -0.09 0.05 -0.04 2.34 1.91 3hp6A1 GLN 516 H -0.08 0.50 -0.13 -0.55 8.47 8.20 3hp6A1 GLN 516 HA 0.09 0.01 0.46 -0.75 4.36 4.16 3hp6A1 GLN 516 HB2 0.01 0.12 0.16 -0.04 2.15 2.40 3hp6A1 GLN 516 HB3 0.06 -0.04 0.05 -0.04 2.02 2.04 3hp6A1 GLN 516 HG2 0.04 0.27 0.16 -0.04 2.40 2.83 3hp6A1 GLN 516 HG3 0.05 -0.03 0.05 -0.04 2.39 2.42 3hp6A1 GLN 516 HE21 0.19 -0.03 -0.01 -0.04 6.97 7.08 3hp6A1 GLN 516 HE22 0.13 0.04 0.02 -0.04 7.69 7.84 3hp6A1 ARG 517 H -0.06 0.48 -0.18 -0.55 8.46 8.15 3hp6A1 ARG 517 HA 0.01 0.03 0.51 -0.75 4.34 4.14 3hp6A1 ARG 517 HB2 0.00 0.07 0.12 -0.04 1.90 2.05 3hp6A1 ARG 517 HB3 -0.01 0.11 0.15 -0.04 1.80 2.01 3hp6A1 ARG 517 HG2 0.02 -0.03 -0.01 -0.04 1.67 1.61 3hp6A1 ARG 517 HG3 0.01 -0.05 -0.04 -0.04 1.67 1.55 3hp6A1 ARG 517 HD2 0.02 -0.01 0.06 -0.04 3.22 3.25 3hp6A1 ARG 517 HD3 0.01 0.01 0.01 -0.04 3.22 3.22 3hp6A1 ILE 518 H -0.19 0.55 -0.15 -0.55 8.25 7.92 3hp6A1 ILE 518 HA -0.04 0.00 0.56 -0.75 4.18 3.95 3hp6A1 ILE 518 HB -0.48 0.16 0.20 -0.04 1.89 1.73 3hp6A1 ILE 518 HG12 -0.06 -0.07 -0.07 -0.04 1.49 1.25 3hp6A1 ILE 518 HG13 -0.10 0.13 -0.02 -0.04 1.21 1.17 3hp6A1 ILE 518 HG23 -0.12 -0.02 -0.14 -0.04 0.93 0.61 3hp6A1 ILE 518 HD13 -0.24 0.00 -0.21 -0.04 0.88 0.39 3hp6A1 TYR 519 H -0.31 0.52 -0.00 -0.55 8.29 7.95 3hp6A1 TYR 519 HA 0.09 0.15 0.49 -0.75 4.56 4.54 3hp6A1 TYR 519 HB2 -0.01 0.10 0.14 -0.04 3.06 3.25 3hp6A1 TYR 519 HB3 0.01 -0.03 -0.02 -0.04 2.98 2.90 3hp6A1 TYR 519 HD2 -0.06 0.04 0.05 -0.04 7.15 7.14 3hp6A1 TYR 519 HE2 -0.39 0.02 0.04 -0.04 6.85 6.47 3hp6A1 GLU 520 H 0.09 0.34 -0.40 -0.55 8.60 8.08 3hp6A1 GLU 520 HA 0.08 0.03 0.46 -0.75 4.29 4.11 3hp6A1 GLU 520 HB2 0.06 0.03 0.11 -0.04 2.09 2.25 3hp6A1 GLU 520 HB3 0.04 0.08 0.21 -0.04 1.99 2.28 3hp6A1 GLU 520 HG2 0.04 0.02 -0.23 -0.04 2.34 2.13 3hp6A1 GLU 520 HG3 0.04 -0.03 0.02 -0.04 2.34 2.33 3hp6A1 LEU 521 H 0.06 0.48 -0.05 -0.55 8.37 8.31 3hp6A1 LEU 521 HA 0.09 0.08 0.63 -0.75 4.35 4.40 3hp6A1 LEU 521 HB2 0.06 0.07 0.17 -0.04 1.64 1.90 3hp6A1 LEU 521 HB3 0.16 -0.11 0.07 -0.04 1.64 1.72 3hp6A1 LEU 521 HG 0.05 0.10 0.08 -0.04 1.64 1.83 3hp6A1 LEU 521 HD13 0.06 -0.05 -0.07 -0.04 0.93 0.84 3hp6A1 LEU 521 HD23 0.08 -0.02 0.02 -0.04 0.89 0.93 3hp6A1 ALA 522 H 0.10 0.36 -0.32 -0.55 8.40 7.99 3hp6A1 ALA 522 HA -0.03 0.12 0.74 -0.75 4.34 4.42 3hp6A1 ALA 522 HB3 0.10 -0.02 0.03 -0.04 1.41 1.48 3hp6A1 GLY 523 H 0.08 0.16 -0.33 -0.55 8.43 7.79 3hp6A1 GLY 523 HA2 0.05 -0.00 0.32 -0.51 4.01 3.87 3hp6A1 GLY 523 HA3 0.03 0.01 0.37 -0.51 4.01 3.91 3hp6A1 GLN 524 H 0.13 0.45 -0.07 -0.55 8.47 8.43 3hp6A1 GLN 524 HA 0.02 0.02 0.47 -0.75 4.36 4.12 3hp6A1 GLN 524 HB2 0.00 0.19 -0.23 -0.04 2.15 2.07 3hp6A1 GLN 524 HB3 0.04 -0.06 -0.22 -0.04 2.02 1.74 3hp6A1 GLN 524 HG2 0.05 0.17 -0.02 -0.04 2.40 2.56 3hp6A1 GLN 524 HG3 0.00 -0.03 0.11 -0.04 2.39 2.43 3hp6A1 GLN 524 HE21 -0.03 -0.08 -0.03 -0.04 6.97 6.79 3hp6A1 GLN 524 HE22 0.04 0.18 -0.01 -0.04 7.69 7.87 3hp6A1 GLU 525 H -0.04 0.17 0.14 -0.55 8.60 8.31 3hp6A1 GLU 525 HA -0.51 0.15 0.96 -0.75 4.29 4.14 3hp6A1 GLU 525 HB2 -0.22 -0.01 0.11 -0.04 2.09 1.93 3hp6A1 GLU 525 HB3 -0.52 0.00 0.02 -0.04 1.99 1.45 3hp6A1 GLU 525 HG2 -1.21 0.03 0.04 -0.04 2.34 1.15 3hp6A1 GLU 525 HG3 -0.28 -0.00 -0.12 -0.04 2.34 1.90 3hp6A1 PHE 526 H -0.18 0.30 0.15 -0.55 8.34 8.06 3hp6A1 PHE 526 HA -0.03 0.12 0.44 -0.75 4.62 4.39 3hp6A1 PHE 526 HB2 0.01 -0.08 -0.01 -0.04 3.15 3.04 3hp6A1 PHE 526 HB3 -0.01 0.16 -0.22 -0.04 3.06 2.95 3hp6A1 PHE 526 HD2 0.05 0.02 -0.50 -0.04 7.28 6.82 3hp6A1 PHE 526 HE2 0.02 0.05 -0.17 -0.04 7.38 7.24 3hp6A1 PHE 526 HZ -0.07 0.00 -0.12 -0.04 7.32 7.09 3hp6A1 ASN 527 H 0.17 0.18 0.06 -0.55 8.53 8.39 3hp6A1 ASN 527 HA -0.05 0.14 0.77 -0.75 4.76 4.87 3hp6A1 ASN 527 HB2 0.04 0.09 0.08 -0.04 2.88 3.04 3hp6A1 ASN 527 HB3 0.08 -0.03 0.18 -0.04 2.79 2.98 3hp6A1 ASN 527 HD21 0.04 0.07 -0.11 -0.04 7.03 6.99 3hp6A1 ASN 527 HD22 0.04 0.02 -0.03 -0.04 7.74 7.74 3hp6A1 ILE 528 H -0.28 0.29 0.12 -0.55 8.25 7.83 3hp6A1 ILE 528 HA -0.17 0.11 0.26 -0.75 4.18 3.62 3hp6A1 ILE 528 HB -0.62 -0.01 0.03 -0.04 1.89 1.26 3hp6A1 ILE 528 HG12 -1.03 0.03 -0.06 -0.04 1.49 0.40 3hp6A1 ILE 528 HG13 -0.74 0.06 0.05 -0.04 1.21 0.55 3hp6A1 ILE 528 HG23 -0.34 0.01 -0.05 -0.04 0.93 0.50 3hp6A1 ILE 528 HD13 -1.04 0.02 0.04 -0.04 0.88 -0.14 3hp6A1 ASN 529 H 0.03 0.05 -0.27 -0.55 8.53 7.79 3hp6A1 ASN 529 HA 0.13 0.15 0.44 -0.75 4.76 4.71 3hp6A1 ASN 529 HB2 0.07 -0.03 -0.01 -0.04 2.88 2.88 3hp6A1 ASN 529 HB3 0.07 0.03 0.09 -0.04 2.79 2.94 3hp6A1 ASN 529 HD21 0.10 0.01 -0.07 -0.04 7.03 7.04 3hp6A1 ASN 529 HD22 0.14 0.05 -0.03 -0.04 7.74 7.86 3hp6A1 SER 530 H 0.09 0.43 -0.75 -0.55 8.46 7.68 3hp6A1 SER 530 HA 0.07 0.24 0.90 -0.75 4.49 4.95 3hp6A1 SER 530 HB2 0.07 0.04 0.03 -0.04 3.95 4.05 3hp6A1 SER 530 HB3 0.12 0.13 0.21 -0.04 3.93 4.36 3hp6A1 PRO 531 HA 0.11 0.12 0.39 -0.51 4.44 4.55 3hp6A1 PRO 531 HB2 0.08 0.02 0.01 -0.04 2.28 2.35 3hp6A1 PRO 531 HB3 0.10 -0.01 0.03 -0.04 2.02 2.10 3hp6A1 PRO 531 HG2 0.06 0.04 0.04 -0.04 2.03 2.14 3hp6A1 PRO 531 HG3 0.08 0.07 -0.00 -0.04 2.03 2.14 3hp6A1 PRO 531 HD2 0.07 0.06 0.21 -0.04 3.68 3.97 3hp6A1 PRO 531 HD3 0.07 0.45 -0.02 -0.04 3.65 4.11 3hp6A1 LYS 532 H 0.08 0.13 -0.24 -0.55 8.42 7.84 3hp6A1 LYS 532 HA 0.11 0.11 0.39 -0.75 4.32 4.19 3hp6A1 LYS 532 HB2 0.06 0.04 0.06 -0.04 1.87 1.98 3hp6A1 LYS 532 HB3 0.06 -0.04 0.06 -0.04 1.79 1.84 3hp6A1 LYS 532 HG2 0.06 0.00 -0.19 -0.04 1.46 1.29 3hp6A1 LYS 532 HG3 0.04 0.04 0.02 -0.04 1.46 1.51 3hp6A1 LYS 532 HD2 0.02 0.03 -0.00 -0.04 1.69 1.70 3hp6A1 LYS 532 HD3 0.04 -0.03 -0.03 -0.04 1.68 1.63 3hp6A1 LYS 532 HE2 0.03 -0.01 -0.05 -0.04 2.99 2.92 3hp6A1 LYS 532 HE3 0.01 0.04 -0.01 -0.04 2.99 2.99 3hp6A1 GLN 533 H 0.10 0.09 -0.14 -0.55 8.47 7.97 3hp6A1 GLN 533 HA 0.07 0.08 0.50 -0.75 4.36 4.25 3hp6A1 GLN 533 HB2 0.19 0.19 0.14 -0.04 2.15 2.63 3hp6A1 GLN 533 HB3 0.22 -0.03 -0.01 -0.04 2.02 2.16 3hp6A1 GLN 533 HG2 0.08 0.05 0.05 -0.04 2.40 2.55 3hp6A1 GLN 533 HG3 0.09 -0.05 0.06 -0.04 2.39 2.44 3hp6A1 GLN 533 HE21 0.06 0.01 0.03 -0.04 6.97 7.03 3hp6A1 GLN 533 HE22 0.06 0.01 0.03 -0.04 7.69 7.76 3hp6A1 LEU 534 H 0.15 0.62 -0.19 -0.55 8.37 8.40 3hp6A1 LEU 534 HA -0.05 0.01 0.45 -0.75 4.35 4.01 3hp6A1 LEU 534 HB2 0.23 0.10 0.03 -0.04 1.64 1.96 3hp6A1 LEU 534 HB3 0.11 0.07 0.09 -0.04 1.64 1.87 3hp6A1 LEU 534 HG -0.02 -0.03 -0.17 -0.04 1.64 1.38 3hp6A1 LEU 534 HD13 0.14 -0.02 -0.01 -0.04 0.93 1.00 3hp6A1 LEU 534 HD23 0.09 0.01 -0.04 -0.04 0.89 0.91 3hp6A1 GLY 535 H 0.12 0.49 -0.25 -0.55 8.43 8.24 3hp6A1 GLY 535 HA2 0.16 0.02 0.35 -0.51 4.01 4.03 3hp6A1 GLY 535 HA3 0.38 0.07 0.28 -0.51 4.01 4.23 3hp6A1 VAL 536 H 0.10 0.40 -0.12 -0.55 8.24 8.06 3hp6A1 VAL 536 HA 0.08 0.02 0.41 -0.75 4.13 3.89 3hp6A1 VAL 536 HB -0.03 0.14 0.14 -0.04 2.12 2.32 3hp6A1 VAL 536 HG13 -0.02 -0.00 -0.09 -0.04 0.97 0.82 3hp6A1 VAL 536 HG23 0.09 0.04 0.07 -0.04 0.95 1.11 3hp6A1 ILE 537 H -0.26 0.42 -0.22 -0.55 8.25 7.64 3hp6A1 ILE 537 HA -0.27 0.03 0.43 -0.75 4.18 3.62 3hp6A1 ILE 537 HB -0.65 0.07 0.13 -0.04 1.89 1.39 3hp6A1 ILE 537 HG12 -0.61 0.08 0.02 -0.04 1.49 0.94 3hp6A1 ILE 537 HG13 -2.23 -0.07 -0.11 -0.04 1.21 -1.24 3hp6A1 ILE 537 HG23 -0.45 0.01 -0.14 -0.04 0.93 0.31 3hp6A1 ILE 537 HD13 -0.32 0.01 -0.10 -0.04 0.88 0.43 3hp6A1 LEU 538 H -0.40 0.62 -0.09 -0.55 8.37 7.95 3hp6A1 LEU 538 HA -0.41 0.05 0.42 -0.75 4.35 3.66 3hp6A1 LEU 538 HB2 -1.22 0.06 0.10 -0.04 1.64 0.55 3hp6A1 LEU 538 HB3 -1.02 -0.02 -0.03 -0.04 1.64 0.52 3hp6A1 LEU 538 HG -0.34 0.15 0.03 -0.04 1.64 1.45 3hp6A1 LEU 538 HD13 -0.26 -0.02 -0.08 -0.04 0.93 0.53 3hp6A1 LEU 538 HD23 -0.27 -0.02 -0.09 -0.04 0.89 0.48 3hp6A1 PHE 539 H -0.39 0.71 -0.02 -0.55 8.34 8.09 3hp6A1 PHE 539 HA -0.23 0.23 0.50 -0.75 4.62 4.36 3hp6A1 PHE 539 HB2 -0.97 0.02 -0.02 -0.04 3.15 2.14 3hp6A1 PHE 539 HB3 -0.64 -0.01 0.03 -0.04 3.06 2.40 3hp6A1 PHE 539 HD2 -0.36 0.15 -0.20 -0.04 7.28 6.83 3hp6A1 PHE 539 HE2 -0.07 0.08 -0.14 -0.04 7.38 7.22 3hp6A1 PHE 539 HZ -0.04 -0.02 0.00 -0.04 7.32 7.23 3hp6A1 GLU 540 H -0.12 0.32 -0.09 -0.55 8.60 8.17 3hp6A1 GLU 540 HA -0.01 0.20 0.97 -0.75 4.29 4.70 3hp6A1 GLU 540 HB2 -0.00 0.12 0.24 -0.04 2.09 2.41 3hp6A1 GLU 540 HB3 0.01 -0.02 0.04 -0.04 1.99 1.98 3hp6A1 GLU 540 HG2 0.08 0.03 0.00 -0.04 2.34 2.42 3hp6A1 GLU 540 HG3 0.09 -0.05 -0.28 -0.04 2.34 2.06 3hp6A1 LYS 541 H -0.10 0.45 0.23 -0.55 8.42 8.45 3hp6A1 LYS 541 HA -0.04 0.07 0.53 -0.75 4.32 4.13 3hp6A1 LYS 541 HB2 -0.08 -0.09 0.09 -0.04 1.87 1.76 3hp6A1 LYS 541 HB3 -0.14 0.07 0.28 -0.04 1.79 1.96 3hp6A1 LYS 541 HG2 -0.08 0.06 -0.17 -0.04 1.46 1.23 3hp6A1 LYS 541 HG3 -0.05 -0.03 -0.00 -0.04 1.46 1.34 3hp6A1 LYS 541 HD2 -0.05 -0.10 -0.00 -0.04 1.69 1.50 3hp6A1 LYS 541 HD3 -0.09 -0.01 -0.01 -0.04 1.68 1.53 3hp6A1 LYS 541 HE2 -0.03 0.02 -0.03 -0.04 2.99 2.91 3hp6A1 LYS 541 HE3 -0.02 -0.10 -0.00 -0.04 2.99 2.83 3hp6A1 LEU 542 H -0.15 0.46 0.02 -0.55 8.37 8.15 3hp6A1 LEU 542 HA -0.04 0.14 0.62 -0.75 4.35 4.31 3hp6A1 LEU 542 HB2 -0.20 0.11 0.18 -0.04 1.64 1.68 3hp6A1 LEU 542 HB3 -0.08 -0.06 0.14 -0.04 1.64 1.60 3hp6A1 LEU 542 HG -0.20 0.13 0.05 -0.04 1.64 1.58 3hp6A1 LEU 542 HD13 -0.48 -0.05 -0.04 -0.04 0.93 0.32 3hp6A1 LEU 542 HD23 -0.06 0.02 -0.01 -0.04 0.89 0.80 3hp6A1 GLN 543 H -0.07 -0.02 -0.76 -0.55 8.47 7.08 3hp6A1 GLN 543 HA -0.02 0.11 0.06 -0.75 4.36 3.76 3hp6A1 GLN 543 HB2 0.01 0.14 -0.23 -0.04 2.15 2.03 3hp6A1 GLN 543 HB3 0.00 -0.09 0.10 -0.04 2.02 1.99 3hp6A1 GLN 543 HG2 -0.01 0.19 -0.29 -0.04 2.40 2.24 3hp6A1 GLN 543 HG3 0.00 -0.02 -0.17 -0.04 2.39 2.16 3hp6A1 GLN 543 HE21 0.01 -0.08 0.00 -0.04 6.97 6.86 3hp6A1 GLN 543 HE22 0.01 -0.01 -0.02 -0.04 7.69 7.62 3hp6A1 LEU 544 H -0.08 0.37 -0.25 -0.55 8.37 7.86 3hp6A1 LEU 544 HA -0.08 0.09 0.50 -0.75 4.35 4.11 3hp6A1 LEU 544 HB2 -0.20 0.20 -0.00 -0.04 1.64 1.59 3hp6A1 LEU 544 HB3 -0.05 -0.01 -0.08 -0.04 1.64 1.46 3hp6A1 LEU 544 HG -0.03 -0.05 0.02 -0.04 1.64 1.54 3hp6A1 LEU 544 HD13 0.08 0.06 -0.09 -0.04 0.93 0.94 3hp6A1 LEU 544 HD23 -0.16 -0.04 -0.01 -0.04 0.89 0.64 3hp6A1 PRO 545 HA -0.08 0.05 0.38 -0.51 4.44 4.29 3hp6A1 PRO 545 HB2 -0.20 -0.05 -0.09 -0.04 2.28 1.91 3hp6A1 PRO 545 HB3 -0.13 0.02 0.03 -0.04 2.02 1.90 3hp6A1 PRO 545 HG2 -1.02 0.01 0.07 -0.04 2.03 1.05 3hp6A1 PRO 545 HG3 -0.32 0.08 0.09 -0.04 2.03 1.83 3hp6A1 PRO 545 HD2 -0.60 0.03 0.17 -0.04 3.68 3.24 3hp6A1 PRO 545 HD3 -0.48 0.18 0.24 -0.04 3.65 3.55 3hp6A1 VAL 546 H -0.11 0.16 0.12 -0.55 8.24 7.86 3hp6A1 VAL 546 HA -0.65 0.06 0.67 -0.75 4.13 3.46 3hp6A1 VAL 546 HB -0.12 0.00 0.15 -0.04 2.12 2.11 3hp6A1 VAL 546 HG13 -0.16 -0.03 -0.18 -0.04 0.97 0.56 3hp6A1 VAL 546 HG23 -0.40 0.03 0.01 -0.04 0.95 0.56 3hp6A1 LEU 547 H -0.17 0.19 0.11 -0.55 8.37 7.95 3hp6A1 LEU 547 HA -0.03 0.17 0.54 -0.75 4.35 4.27 3hp6A1 LEU 547 HB2 0.01 -0.08 0.05 -0.04 1.64 1.58 3hp6A1 LEU 547 HB3 0.02 -0.02 0.01 -0.04 1.64 1.61 3hp6A1 LEU 547 HG -0.00 0.18 -0.09 -0.04 1.64 1.69 3hp6A1 LEU 547 HD13 0.05 0.01 -0.09 -0.04 0.93 0.86 3hp6A1 LEU 547 HD23 -0.03 -0.00 -0.24 -0.04 0.89 0.57 3hp6A1 LYS 548 H -0.09 0.14 0.08 -0.55 8.42 7.99 3hp6A1 LYS 548 HA 0.02 0.21 0.74 -0.75 4.32 4.53 3hp6A1 LYS 548 HB2 0.05 0.08 -0.17 -0.04 1.87 1.78 3hp6A1 LYS 548 HB3 0.03 -0.13 0.01 -0.04 1.79 1.66 3hp6A1 LYS 548 HG2 0.04 0.01 -0.32 -0.04 1.46 1.16 3hp6A1 LYS 548 HG3 0.06 0.07 0.04 -0.04 1.46 1.60 3hp6A1 LYS 548 HD2 0.08 0.01 -0.07 -0.04 1.69 1.68 3hp6A1 LYS 548 HD3 0.06 -0.13 -0.09 -0.04 1.68 1.48 3hp6A1 LYS 548 HE2 0.07 0.01 -0.10 -0.04 2.99 2.92 3hp6A1 LYS 548 HE3 0.10 0.05 -0.03 -0.04 2.99 3.07 3hp6A1 LYS 549 H 0.01 0.25 0.13 -0.55 8.42 8.26 3hp6A1 LYS 549 HA -0.01 0.20 0.98 -0.75 4.32 4.74 3hp6A1 LYS 549 HB2 -0.01 -0.03 0.03 -0.04 1.87 1.83 3hp6A1 LYS 549 HB3 -0.03 0.13 -0.03 -0.04 1.79 1.82 3hp6A1 LYS 549 HG2 -0.01 -0.06 -0.37 -0.04 1.46 0.98 3hp6A1 LYS 549 HG3 -0.01 0.03 -0.12 -0.04 1.46 1.33 3hp6A1 LYS 549 HD2 -0.01 0.07 -0.15 -0.04 1.69 1.56 3hp6A1 LYS 549 HD3 0.15 -0.01 -0.13 -0.04 1.68 1.65 3hp6A1 LYS 549 HE2 -0.11 0.07 -0.13 -0.04 2.99 2.79 3hp6A1 LYS 549 HE3 -0.34 -0.19 -0.28 -0.04 2.99 2.14 3hp6A1 THR 550 H -0.00 0.72 0.26 -0.55 8.28 8.71 3hp6A1 THR 550 HA 0.02 0.23 0.87 -0.75 4.39 4.75 3hp6A1 THR 550 HB 0.02 -0.08 0.17 -0.04 4.32 4.39 3hp6A1 THR 550 HG23 0.04 0.01 -0.10 -0.04 1.22 1.13 3hp6A1 LYS 551 H 0.01 0.15 0.13 -0.55 8.42 8.15 3hp6A1 LYS 551 HA -0.01 0.13 0.44 -0.75 4.32 4.13 3hp6A1 LYS 551 HB2 -0.00 0.06 0.07 -0.04 1.87 1.96 3hp6A1 LYS 551 HB3 0.00 0.02 0.12 -0.04 1.79 1.89 3hp6A1 LYS 551 HG2 0.01 -0.04 0.09 -0.04 1.46 1.48 3hp6A1 LYS 551 HG3 0.00 -0.03 -0.04 -0.04 1.46 1.35 3hp6A1 LYS 551 HD2 -0.00 0.04 -0.05 -0.04 1.69 1.63 3hp6A1 LYS 551 HD3 0.00 0.02 0.01 -0.04 1.68 1.67 3hp6A1 LYS 551 HE2 0.01 -0.00 0.00 -0.04 2.99 2.95 3hp6A1 LYS 551 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.90 3hp6A1 THR 552 H -0.01 -0.07 -0.36 -0.55 8.28 7.30 3hp6A1 THR 552 HA -0.03 0.29 0.90 -0.75 4.39 4.79 3hp6A1 THR 552 HB -0.01 0.03 0.06 -0.04 4.32 4.36 3hp6A1 THR 552 HG23 -0.00 -0.00 -0.09 -0.04 1.22 1.08 3hp6A1 GLY 553 H -0.05 0.13 -0.16 -0.55 8.43 7.81 3hp6A1 GLY 553 HA2 -0.22 0.10 0.23 -0.51 4.01 3.61 3hp6A1 GLY 553 HA3 -0.17 0.14 0.68 -0.51 4.01 4.15 3hp6A1 TYR 554 H -0.31 0.15 0.11 -0.55 8.29 7.69 3hp6A1 TYR 554 HA -0.13 0.14 0.56 -0.75 4.56 4.37 3hp6A1 TYR 554 HB2 0.15 -0.06 0.01 -0.04 3.06 3.12 3hp6A1 TYR 554 HB3 -0.38 0.11 0.03 -0.04 2.98 2.69 3hp6A1 TYR 554 HD2 -0.04 -0.04 -0.04 -0.04 7.15 6.98 3hp6A1 TYR 554 HE2 0.00 0.01 -0.10 -0.04 6.85 6.72 3hp6A1 SER 555 H 0.03 0.55 0.30 -0.55 8.46 8.80 3hp6A1 SER 555 HA 0.11 0.08 0.68 -0.75 4.49 4.61 3hp6A1 SER 555 HB2 0.06 0.03 -0.05 -0.04 3.95 3.95 3hp6A1 SER 555 HB3 0.05 0.06 0.09 -0.04 3.93 4.09 3hp6A1 THR 556 H 0.13 0.13 0.08 -0.55 8.28 8.07 3hp6A1 THR 556 HA 0.20 0.26 0.70 -0.75 4.39 4.79 3hp6A1 THR 556 HB 0.10 0.02 0.11 -0.04 4.32 4.52 3hp6A1 THR 556 HG23 0.20 0.04 -0.23 -0.04 1.22 1.19 3hp6A1 SER 557 H 0.10 0.04 -0.09 -0.55 8.46 7.97 3hp6A1 SER 557 HA 0.07 0.14 0.31 -0.75 4.49 4.25 3hp6A1 SER 557 HB2 0.06 0.03 0.12 -0.04 3.95 4.12 3hp6A1 SER 557 HB3 0.07 0.07 0.10 -0.04 3.93 4.13 3hp6A1 ALA 558 H 0.06 0.18 0.16 -0.55 8.40 8.25 3hp6A1 ALA 558 HA 0.06 0.13 0.42 -0.75 4.34 4.20 3hp6A1 ALA 558 HB3 0.05 0.03 0.09 -0.04 1.41 1.54 3hp6A1 ASP 559 H 0.05 0.03 -0.26 -0.55 8.40 7.68 3hp6A1 ASP 559 HA 0.04 0.15 0.38 -0.75 4.63 4.45 3hp6A1 ASP 559 HB2 0.05 -0.12 -0.02 -0.04 2.71 2.58 3hp6A1 ASP 559 HB3 0.03 0.14 -0.11 -0.04 2.70 2.71 3hp6A1 VAL 560 H 0.07 0.00 -0.27 -0.55 8.24 7.49 3hp6A1 VAL 560 HA 0.07 0.10 0.50 -0.75 4.13 4.04 3hp6A1 VAL 560 HB 0.11 -0.00 -0.09 -0.04 2.12 2.09 3hp6A1 VAL 560 HG13 0.16 0.06 -0.16 -0.04 0.97 0.99 3hp6A1 VAL 560 HG23 0.06 -0.02 -0.07 -0.04 0.95 0.89 3hp6A1 LEU 561 H 0.08 0.59 -0.25 -0.55 8.37 8.25 3hp6A1 LEU 561 HA 0.07 0.04 0.28 -0.75 4.35 3.99 3hp6A1 LEU 561 HB2 0.07 0.06 0.06 -0.04 1.64 1.78 3hp6A1 LEU 561 HB3 0.06 0.01 -0.09 -0.04 1.64 1.57 3hp6A1 LEU 561 HG 0.03 -0.06 -0.01 -0.04 1.64 1.57 3hp6A1 LEU 561 HD13 0.08 0.02 -0.18 -0.04 0.93 0.81 3hp6A1 LEU 561 HD23 0.06 0.01 -0.09 -0.04 0.89 0.83 3hp6A1 GLU 562 H 0.06 0.48 -0.25 -0.55 8.60 8.35 3hp6A1 GLU 562 HA 0.05 0.02 0.47 -0.75 4.29 4.08 3hp6A1 GLU 562 HB2 0.04 -0.01 0.09 -0.04 2.09 2.18 3hp6A1 GLU 562 HB3 0.05 0.13 0.14 -0.04 1.99 2.26 3hp6A1 GLU 562 HG2 0.04 -0.01 -0.23 -0.04 2.34 2.10 3hp6A1 GLU 562 HG3 0.04 -0.05 0.00 -0.04 2.34 2.29 3hp6A1 LYS 563 H 0.07 0.37 -0.27 -0.55 8.42 8.03 3hp6A1 LYS 563 HA 0.08 0.00 0.43 -0.75 4.32 4.07 3hp6A1 LYS 563 HB2 0.07 0.00 0.12 -0.04 1.87 2.01 3hp6A1 LYS 563 HB3 0.08 0.00 0.11 -0.04 1.79 1.94 3hp6A1 LYS 563 HG2 0.04 0.00 0.03 -0.04 1.46 1.49 3hp6A1 LYS 563 HG3 0.05 0.24 0.13 -0.04 1.46 1.83 3hp6A1 LYS 563 HD2 0.03 -0.07 -0.01 -0.04 1.69 1.60 3hp6A1 LYS 563 HD3 0.02 0.00 0.01 -0.04 1.68 1.67 3hp6A1 LYS 563 HE2 0.02 -0.07 -0.12 -0.04 2.99 2.78 3hp6A1 LYS 563 HE3 -0.02 -0.12 0.01 -0.04 2.99 2.82 3hp6A1 LEU 564 H 0.10 0.28 -0.49 -0.55 8.37 7.72 3hp6A1 LEU 564 HA 0.27 0.15 0.78 -0.75 4.35 4.79 3hp6A1 LEU 564 HB2 0.08 0.04 0.07 -0.04 1.64 1.80 3hp6A1 LEU 564 HB3 0.09 -0.06 0.11 -0.04 1.64 1.73 3hp6A1 LEU 564 HG 0.10 0.10 -0.09 -0.04 1.64 1.70 3hp6A1 LEU 564 HD13 0.15 -0.03 -0.11 -0.04 0.93 0.90 3hp6A1 LEU 564 HD23 -0.05 0.04 -0.01 -0.04 0.89 0.83 3hp6A1 ALA 565 H 0.10 0.36 -0.29 -0.55 8.40 8.03 3hp6A1 ALA 565 HA 0.09 0.04 0.35 -0.75 4.34 4.07 3hp6A1 ALA 565 HB3 0.05 0.01 0.10 -0.04 1.41 1.53 3hp6A1 PRO 566 HA -0.06 0.06 0.46 -0.51 4.44 4.39 3hp6A1 PRO 566 HB2 -0.44 0.05 -0.07 -0.04 2.28 1.78 3hp6A1 PRO 566 HB3 -0.16 -0.02 0.08 -0.04 2.02 1.88 3hp6A1 PRO 566 HG2 -0.01 0.06 0.02 -0.04 2.03 2.05 3hp6A1 PRO 566 HG3 -0.02 -0.01 -0.00 -0.04 2.03 1.96 3hp6A1 PRO 566 HD2 0.18 0.24 -0.31 -0.04 3.68 3.75 3hp6A1 PRO 566 HD3 0.07 0.09 -0.07 -0.04 3.65 3.70 3hp6A1 TYR 567 H 0.21 0.47 -0.41 -0.55 8.29 8.01 3hp6A1 TYR 567 HA 0.02 0.12 0.64 -0.75 4.56 4.58 3hp6A1 TYR 567 HB2 0.06 0.14 0.18 -0.04 3.06 3.40 3hp6A1 TYR 567 HB3 0.06 -0.00 0.06 -0.04 2.98 3.05 3hp6A1 TYR 567 HD2 0.04 0.04 0.06 -0.04 7.15 7.24 3hp6A1 TYR 567 HE2 0.03 0.02 0.03 -0.04 6.85 6.89 3hp6A1 HIS 568 H 0.18 0.35 0.04 -0.55 8.41 8.43 3hp6A1 HIS 568 HA 0.03 0.13 0.70 -0.75 4.63 4.73 3hp6A1 HIS 568 HB2 0.05 0.15 -0.33 -0.04 3.26 3.09 3hp6A1 HIS 568 HB3 0.02 -0.16 0.02 -0.04 3.20 3.03 3hp6A1 HIS 568 HD2 0.01 0.13 0.05 -0.04 6.97 7.11 3hp6A1 HIS 568 HE1 0.01 0.06 0.07 -0.04 7.75 7.85 3hp6A1 GLU 569 H -0.02 0.24 0.15 -0.55 8.60 8.42 3hp6A1 GLU 569 HA 0.07 0.17 0.57 -0.75 4.29 4.35 3hp6A1 GLU 569 HB2 0.03 -0.02 0.16 -0.04 2.09 2.21 3hp6A1 GLU 569 HB3 0.00 0.08 0.11 -0.04 1.99 2.14 3hp6A1 GLU 569 HG2 -0.00 0.02 0.07 -0.04 2.34 2.39 3hp6A1 GLU 569 HG3 0.07 -0.01 -0.21 -0.04 2.34 2.14 3hp6A1 ILE 570 H 0.51 0.15 -0.34 -0.55 8.25 8.02 3hp6A1 ILE 570 HA 0.08 0.09 0.49 -0.75 4.18 4.08 3hp6A1 ILE 570 HB -0.05 0.10 0.03 -0.04 1.89 1.93 3hp6A1 ILE 570 HG12 -0.00 -0.14 -0.00 -0.04 1.49 1.30 3hp6A1 ILE 570 HG13 0.02 0.03 0.04 -0.04 1.21 1.25 3hp6A1 ILE 570 HG23 -0.25 0.02 -0.12 -0.04 0.93 0.53 3hp6A1 ILE 570 HD13 -0.04 0.04 -0.13 -0.04 0.88 0.71 3hp6A1 VAL 571 H 0.06 0.35 -0.23 -0.55 8.24 7.88 3hp6A1 VAL 571 HA 0.01 0.02 0.19 -0.75 4.13 3.60 3hp6A1 VAL 571 HB 0.04 -0.05 0.02 -0.04 2.12 2.09 3hp6A1 VAL 571 HG13 -0.01 0.01 -0.02 -0.04 0.97 0.91 3hp6A1 VAL 571 HG23 0.07 0.09 -0.13 -0.04 0.95 0.95 3hp6A1 GLU 572 H 0.06 0.24 -0.38 -0.55 8.60 7.98 3hp6A1 GLU 572 HA 0.05 0.06 0.57 -0.75 4.29 4.22 3hp6A1 GLU 572 HB2 0.04 0.15 0.11 -0.04 2.09 2.35 3hp6A1 GLU 572 HB3 0.02 -0.02 0.01 -0.04 1.99 1.97 3hp6A1 GLU 572 HG2 0.04 -0.03 0.02 -0.04 2.34 2.33 3hp6A1 GLU 572 HG3 0.04 0.02 0.01 -0.04 2.34 2.37 3hp6A1 ASN 573 H 0.05 0.36 -0.14 -0.55 8.53 8.27 3hp6A1 ASN 573 HA 0.11 0.03 0.55 -0.75 4.76 4.69 3hp6A1 ASN 573 HB2 0.03 0.16 0.15 -0.04 2.88 3.19 3hp6A1 ASN 573 HB3 0.04 -0.03 0.02 -0.04 2.79 2.77 3hp6A1 ASN 573 HD21 0.02 0.02 -0.01 -0.04 7.03 7.02 3hp6A1 ASN 573 HD22 0.06 -0.06 0.03 -0.04 7.74 7.73 3hp6A1 ILE 574 H 0.05 0.55 -0.12 -0.55 8.25 8.18 3hp6A1 ILE 574 HA 0.05 0.02 0.46 -0.75 4.18 3.95 3hp6A1 ILE 574 HB 0.04 0.12 0.09 -0.04 1.89 2.10 3hp6A1 ILE 574 HG12 0.03 -0.03 -0.03 -0.04 1.49 1.41 3hp6A1 ILE 574 HG13 0.01 0.04 -0.03 -0.04 1.21 1.19 3hp6A1 ILE 574 HG23 0.07 -0.01 -0.14 -0.04 0.93 0.80 3hp6A1 ILE 574 HD13 -0.00 -0.01 -0.21 -0.04 0.88 0.62 3hp6A1 LEU 575 H 0.08 0.54 -0.16 -0.55 8.37 8.28 3hp6A1 LEU 575 HA 0.08 -0.00 0.44 -0.75 4.35 4.12 3hp6A1 LEU 575 HB2 0.08 0.16 0.17 -0.04 1.64 2.00 3hp6A1 LEU 575 HB3 0.07 -0.06 0.01 -0.04 1.64 1.62 3hp6A1 LEU 575 HG 0.06 0.11 0.07 -0.04 1.64 1.84 3hp6A1 LEU 575 HD13 0.05 -0.02 -0.12 -0.04 0.93 0.80 3hp6A1 LEU 575 HD23 0.06 -0.02 0.05 -0.04 0.89 0.94 3hp6A1 HIS 576 H 0.18 0.47 -0.27 -0.55 8.41 8.24 3hp6A1 HIS 576 HA 0.03 -0.02 0.44 -0.75 4.63 4.32 3hp6A1 HIS 576 HB2 0.03 0.09 0.15 -0.04 3.26 3.49 3hp6A1 HIS 576 HB3 0.04 0.15 0.19 -0.04 3.20 3.54 3hp6A1 HIS 576 HD2 0.01 -0.05 0.04 -0.04 6.97 6.92 3hp6A1 HIS 576 HE1 0.01 0.02 -0.03 -0.04 7.75 7.70 3hp6A1 TYR 577 H 0.18 0.66 -0.09 -0.55 8.29 8.49 3hp6A1 TYR 577 HA -0.19 -0.02 0.43 -0.75 4.56 4.03 3hp6A1 TYR 577 HB2 -0.09 0.02 0.06 -0.04 3.06 3.02 3hp6A1 TYR 577 HB3 -0.05 0.14 0.15 -0.04 2.98 3.18 3hp6A1 TYR 577 HD2 -0.09 0.06 -0.12 -0.04 7.15 6.97 3hp6A1 TYR 577 HE2 -0.08 0.01 -0.11 -0.04 6.85 6.63 3hp6A1 ARG 578 H 0.11 0.59 -0.26 -0.55 8.46 8.34 3hp6A1 ARG 578 HA -0.09 0.01 0.49 -0.75 4.34 4.00 3hp6A1 ARG 578 HB2 0.07 0.15 0.15 -0.04 1.90 2.22 3hp6A1 ARG 578 HB3 0.03 -0.07 -0.02 -0.04 1.80 1.70 3hp6A1 ARG 578 HG2 0.10 -0.06 -0.01 -0.04 1.67 1.67 3hp6A1 ARG 578 HG3 0.18 0.11 -0.02 -0.04 1.67 1.89 3hp6A1 ARG 578 HD2 0.08 0.01 -0.06 -0.04 3.22 3.21 3hp6A1 ARG 578 HD3 0.07 -0.07 -0.02 -0.04 3.22 3.15 3hp6A1 GLN 579 H -0.02 0.49 -0.15 -0.55 8.47 8.24 3hp6A1 GLN 579 HA -0.01 0.02 0.54 -0.75 4.36 4.16 3hp6A1 GLN 579 HB2 0.00 0.12 0.18 -0.04 2.15 2.41 3hp6A1 GLN 579 HB3 0.01 -0.10 0.05 -0.04 2.02 1.94 3hp6A1 GLN 579 HG2 0.03 -0.07 0.03 -0.04 2.40 2.34 3hp6A1 GLN 579 HG3 0.04 0.30 0.11 -0.04 2.39 2.80 3hp6A1 GLN 579 HE21 0.05 -0.01 -0.05 -0.04 6.97 6.92 3hp6A1 GLN 579 HE22 0.04 -0.02 -0.03 -0.04 7.69 7.64 3hp6A1 LEU 580 H -0.19 0.59 -0.05 -0.55 8.37 8.17 3hp6A1 LEU 580 HA -0.11 0.01 0.42 -0.75 4.35 3.91 3hp6A1 LEU 580 HB2 -0.32 0.11 0.14 -0.04 1.64 1.52 3hp6A1 LEU 580 HB3 -0.20 -0.03 -0.03 -0.04 1.64 1.34 3hp6A1 LEU 580 HG -0.49 0.14 0.04 -0.04 1.64 1.29 3hp6A1 LEU 580 HD13 -0.41 -0.02 -0.14 -0.04 0.93 0.32 3hp6A1 LEU 580 HD23 -0.10 -0.02 -0.02 -0.04 0.89 0.71 3hp6A1 GLY 581 H -0.34 0.69 -0.10 -0.55 8.43 8.13 3hp6A1 GLY 581 HA2 -0.26 0.00 0.43 -0.51 4.01 3.67 3hp6A1 GLY 581 HA3 -0.35 0.10 0.31 -0.51 4.01 3.55 3hp6A1 LYS 582 H -0.09 0.49 -0.30 -0.55 8.42 7.96 3hp6A1 LYS 582 HA -0.05 -0.00 0.42 -0.75 4.32 3.93 3hp6A1 LYS 582 HB2 0.00 0.08 0.16 -0.04 1.87 2.07 3hp6A1 LYS 582 HB3 0.04 0.14 0.20 -0.04 1.79 2.13 3hp6A1 LYS 582 HG2 0.13 -0.01 -0.00 -0.04 1.46 1.54 3hp6A1 LYS 582 HG3 0.23 -0.02 -0.25 -0.04 1.46 1.38 3hp6A1 LYS 582 HD2 -0.09 -0.09 0.10 -0.04 1.69 1.57 3hp6A1 LYS 582 HD3 -0.01 0.02 0.03 -0.04 1.68 1.68 3hp6A1 LYS 582 HE2 0.05 0.02 -0.01 -0.04 2.99 3.01 3hp6A1 LYS 582 HE3 -0.26 -0.00 -0.03 -0.04 2.99 2.65 3hp6A1 LEU 583 H 0.03 0.49 -0.08 -0.55 8.37 8.26 3hp6A1 LEU 583 HA 0.37 -0.00 0.43 -0.75 4.35 4.39 3hp6A1 LEU 583 HB2 0.01 0.14 0.11 -0.04 1.64 1.86 3hp6A1 LEU 583 HB3 0.06 -0.01 0.01 -0.04 1.64 1.66 3hp6A1 LEU 583 HG 0.02 0.28 0.09 -0.04 1.64 1.98 3hp6A1 LEU 583 HD13 -0.01 -0.03 -0.13 -0.04 0.93 0.71 3hp6A1 LEU 583 HD23 0.03 -0.03 0.04 -0.04 0.89 0.89 3hp6A1 GLN 584 H -0.04 0.43 -0.38 -0.55 8.47 7.94 3hp6A1 GLN 584 HA -0.01 0.02 0.41 -0.75 4.36 4.03 3hp6A1 GLN 584 HB2 -0.06 0.02 0.06 -0.04 2.15 2.13 3hp6A1 GLN 584 HB3 -0.08 0.11 0.19 -0.04 2.02 2.20 3hp6A1 GLN 584 HG2 -0.05 -0.01 -0.04 -0.04 2.40 2.25 3hp6A1 GLN 584 HG3 -0.04 -0.01 -0.29 -0.04 2.39 2.01 3hp6A1 GLN 584 HE21 -0.02 0.24 0.10 -0.04 6.97 7.25 3hp6A1 GLN 584 HE22 -0.03 -0.04 -0.03 -0.04 7.69 7.55 3hp6A1 SER 585 H -0.06 0.66 0.11 -0.55 8.46 8.62 3hp6A1 SER 585 HA -0.05 0.06 0.50 -0.75 4.49 4.24 3hp6A1 SER 585 HB2 -0.05 -0.01 0.07 -0.04 3.95 3.92 3hp6A1 SER 585 HB3 -0.06 0.00 0.13 -0.04 3.93 3.97 3hp6A1 THR 586 H -0.13 0.52 -0.02 -0.55 8.28 8.10 3hp6A1 THR 586 HA -0.20 0.09 0.47 -0.75 4.39 4.00 3hp6A1 THR 586 HB -0.58 0.21 0.17 -0.04 4.32 4.08 3hp6A1 THR 586 HG23 -0.88 -0.01 -0.12 -0.04 1.22 0.17 3hp6A1 TYR 587 H -0.05 0.32 0.03 -0.55 8.29 8.04 3hp6A1 TYR 587 HA 0.04 0.15 0.58 -0.75 4.56 4.58 3hp6A1 TYR 587 HB2 0.01 0.10 0.14 -0.04 3.06 3.28 3hp6A1 TYR 587 HB3 0.06 0.00 0.14 -0.04 2.98 3.14 3hp6A1 TYR 587 HD2 0.03 0.00 -0.06 -0.04 7.15 7.08 3hp6A1 TYR 587 HE2 0.01 -0.04 -0.17 -0.04 6.85 6.61 3hp6A1 ILE 588 H 0.04 0.17 -0.16 -0.55 8.25 7.75 3hp6A1 ILE 588 HA 0.04 0.17 0.88 -0.75 4.18 4.51 3hp6A1 ILE 588 HB 0.01 0.11 0.29 -0.04 1.89 2.25 3hp6A1 ILE 588 HG12 0.06 0.23 -0.14 -0.04 1.49 1.60 3hp6A1 ILE 588 HG13 0.01 -0.07 -0.12 -0.04 1.21 0.98 3hp6A1 ILE 588 HG23 -0.00 -0.02 -0.06 -0.04 0.93 0.81 3hp6A1 ILE 588 HD13 0.03 0.05 -0.01 -0.04 0.88 0.91 3hp6A1 GLU 589 H -0.01 0.68 0.17 -0.55 8.60 8.90 3hp6A1 GLU 589 HA -0.01 0.03 0.30 -0.75 4.29 3.85 3hp6A1 GLU 589 HB2 -0.03 0.16 0.28 -0.04 2.09 2.46 3hp6A1 GLU 589 HB3 -0.02 -0.02 0.06 -0.04 1.99 1.96 3hp6A1 GLU 589 HG2 -0.02 -0.03 0.04 -0.04 2.34 2.29 3hp6A1 GLU 589 HG3 -0.02 0.10 0.12 -0.04 2.34 2.49 3hp6A1 GLY 590 H -0.04 0.22 -0.30 -0.55 8.43 7.77 3hp6A1 GLY 590 HA2 -0.03 0.00 0.39 -0.51 4.01 3.87 3hp6A1 GLY 590 HA3 -0.04 0.19 0.36 -0.51 4.01 4.01 3hp6A1 LEU 591 H 0.02 0.14 -0.42 -0.55 8.37 7.56 3hp6A1 LEU 591 HA 0.03 0.02 0.35 -0.75 4.35 4.00 3hp6A1 LEU 591 HB2 0.09 0.04 -0.06 -0.04 1.64 1.67 3hp6A1 LEU 591 HB3 0.01 0.06 -0.10 -0.04 1.64 1.57 3hp6A1 LEU 591 HG -0.02 -0.01 -0.08 -0.04 1.64 1.49 3hp6A1 LEU 591 HD13 0.18 -0.02 -0.07 -0.04 0.93 0.99 3hp6A1 LEU 591 HD23 0.24 -0.01 0.01 -0.04 0.89 1.09 3hp6A1 LEU 592 H -0.01 0.53 -0.23 -0.55 8.37 8.12 3hp6A1 LEU 592 HA -0.03 0.03 0.43 -0.75 4.35 4.03 3hp6A1 LEU 592 HB2 -0.01 0.09 0.02 -0.04 1.64 1.69 3hp6A1 LEU 592 HB3 -0.02 -0.04 0.00 -0.04 1.64 1.55 3hp6A1 LEU 592 HG -0.02 0.06 -0.00 -0.04 1.64 1.64 3hp6A1 LEU 592 HD13 -0.02 -0.04 -0.19 -0.04 0.93 0.65 3hp6A1 LEU 592 HD23 -0.03 -0.01 -0.00 -0.04 0.89 0.80 3hp6A1 LYS 593 H -0.01 0.32 -0.38 -0.55 8.42 7.79 3hp6A1 LYS 593 HA -0.02 0.03 0.56 -0.75 4.32 4.14 3hp6A1 LYS 593 HB2 -0.02 0.16 0.17 -0.04 1.87 2.15 3hp6A1 LYS 593 HB3 -0.02 -0.06 -0.02 -0.04 1.79 1.66 3hp6A1 LYS 593 HG2 -0.02 -0.06 0.05 -0.04 1.46 1.39 3hp6A1 LYS 593 HG3 -0.02 -0.02 0.03 -0.04 1.46 1.41 3hp6A1 LYS 593 HD2 -0.02 0.12 -0.15 -0.04 1.69 1.60 3hp6A1 LYS 593 HD3 -0.02 -0.06 -0.01 -0.04 1.68 1.54 3hp6A1 LYS 593 HE2 -0.02 -0.07 -0.04 -0.04 2.99 2.82 3hp6A1 LYS 593 HE3 -0.02 -0.03 -0.01 -0.04 2.99 2.90 3hp6A1 VAL 594 H -0.01 0.21 -0.33 -0.55 8.24 7.56 3hp6A1 VAL 594 HA -0.02 0.19 0.74 -0.75 4.13 4.28 3hp6A1 VAL 594 HB -0.02 0.03 0.01 -0.04 2.12 2.10 3hp6A1 VAL 594 HG13 -0.02 -0.03 -0.14 -0.04 0.97 0.74 3hp6A1 VAL 594 HG23 -0.00 -0.01 -0.11 -0.04 0.95 0.78 3hp6A1 VAL 595 H -0.02 0.17 -0.13 -0.55 8.24 7.72 3hp6A1 VAL 595 HA -0.03 0.11 0.42 -0.75 4.13 3.87 3hp6A1 VAL 595 HB -0.05 0.07 0.02 -0.04 2.12 2.11 3hp6A1 VAL 595 HG13 -0.03 0.01 -0.08 -0.04 0.97 0.83 3hp6A1 VAL 595 HG23 -0.06 -0.03 -0.31 -0.04 0.95 0.52 3hp6A1 ARG 596 H 0.02 0.72 0.30 -0.55 8.46 8.95 3hp6A1 ARG 596 HA 0.01 0.20 0.81 -0.75 4.34 4.60 3hp6A1 ARG 596 HB2 0.12 -0.10 0.27 -0.04 1.90 2.15 3hp6A1 ARG 596 HB3 0.08 -0.09 0.13 -0.04 1.80 1.87 3hp6A1 ARG 596 HG2 0.01 0.04 0.06 -0.04 1.67 1.74 3hp6A1 ARG 596 HG3 0.15 0.15 0.14 -0.04 1.67 2.07 3hp6A1 ARG 596 HD2 0.03 0.03 0.00 -0.04 3.22 3.25 3hp6A1 ARG 596 HD3 0.37 -0.02 0.02 -0.04 3.22 3.55 3hp6A1 PRO 597 HA -0.01 0.06 0.12 -0.51 4.44 4.10 3hp6A1 PRO 597 HB2 -0.01 -0.00 0.01 -0.04 2.28 2.24 3hp6A1 PRO 597 HB3 -0.01 0.01 0.07 -0.04 2.02 2.04 3hp6A1 PRO 597 HG2 -0.01 -0.01 0.08 -0.04 2.03 2.06 3hp6A1 PRO 597 HG3 -0.01 0.17 0.07 -0.04 2.03 2.21 3hp6A1 PRO 597 HD2 -0.00 0.01 0.19 -0.04 3.68 3.84 3hp6A1 PRO 597 HD3 -0.01 0.38 0.34 -0.04 3.65 4.32 3hp6A1 ALA 598 H 0.01 0.11 -0.15 -0.55 8.40 7.82 3hp6A1 ALA 598 HA 0.00 0.14 0.76 -0.75 4.34 4.48 3hp6A1 ALA 598 HB3 0.02 0.01 0.07 -0.04 1.41 1.46 3hp6A1 THR 599 H 0.02 0.12 -0.08 -0.55 8.28 7.80 3hp6A1 THR 599 HA -0.01 0.21 0.89 -0.75 4.39 4.72 3hp6A1 THR 599 HB -0.01 0.07 0.09 -0.04 4.32 4.42 3hp6A1 THR 599 HG23 0.03 0.00 -0.02 -0.04 1.22 1.19 3hp6A1 LYS 600 H -0.01 0.48 0.08 -0.55 8.42 8.42 3hp6A1 LYS 600 HA -0.03 0.00 0.25 -0.75 4.32 3.79 3hp6A1 LYS 600 HB2 -0.05 0.23 0.15 -0.04 1.87 2.17 3hp6A1 LYS 600 HB3 -0.06 0.09 0.37 -0.04 1.79 2.16 3hp6A1 LYS 600 HG2 -0.03 0.06 -0.26 -0.04 1.46 1.19 3hp6A1 LYS 600 HG3 -0.03 -0.11 0.04 -0.04 1.46 1.31 3hp6A1 LYS 600 HD2 -0.04 -0.13 0.08 -0.04 1.69 1.56 3hp6A1 LYS 600 HD3 -0.03 0.07 0.02 -0.04 1.68 1.71 3hp6A1 LYS 600 HE2 -0.02 0.08 0.04 -0.04 2.99 3.05 3hp6A1 LYS 600 HE3 -0.03 -0.20 0.05 -0.04 2.99 2.77 3hp6A1 LYS 601 H -0.01 0.01 -0.17 -0.55 8.42 7.69 3hp6A1 LYS 601 HA -0.13 0.29 0.89 -0.75 4.32 4.62 3hp6A1 LYS 601 HB2 -0.01 -0.11 0.02 -0.04 1.87 1.73 3hp6A1 LYS 601 HB3 -0.51 0.08 -0.11 -0.04 1.79 1.21 3hp6A1 LYS 601 HG2 -0.15 -0.06 -0.39 -0.04 1.46 0.83 3hp6A1 LYS 601 HG3 -0.09 0.02 -0.21 -0.04 1.46 1.14 3hp6A1 LYS 601 HD2 -0.06 -0.13 -0.01 -0.04 1.69 1.45 3hp6A1 LYS 601 HD3 -0.12 0.33 0.05 -0.04 1.68 1.89 3hp6A1 LYS 601 HE2 -0.10 -0.08 -0.13 -0.04 2.99 2.63 3hp6A1 LYS 601 HE3 -0.11 -0.08 -0.01 -0.04 2.99 2.75 3hp6A1 VAL 602 H -0.17 0.72 0.41 -0.55 8.24 8.65 3hp6A1 VAL 602 HA -0.08 0.21 0.92 -0.75 4.13 4.42 3hp6A1 VAL 602 HB -0.02 -0.01 -0.04 -0.04 2.12 2.01 3hp6A1 VAL 602 HG13 -0.04 -0.00 -0.14 -0.04 0.97 0.75 3hp6A1 VAL 602 HG23 0.03 0.03 0.07 -0.04 0.95 1.03 3hp6A1 HIS 603 H -0.03 0.26 0.07 -0.55 8.41 8.16 3hp6A1 HIS 603 HA -0.09 0.18 1.02 -0.75 4.63 4.98 3hp6A1 HIS 603 HB2 -0.59 -0.07 0.20 -0.04 3.26 2.75 3hp6A1 HIS 603 HB3 -0.90 0.12 0.08 -0.04 3.20 2.45 3hp6A1 HIS 603 HD2 -0.01 -0.01 -0.11 -0.04 6.97 6.80 3hp6A1 HIS 603 HE1 -0.24 0.24 -0.16 -0.04 7.75 7.55 3hp6A1 THR 604 H -0.05 0.10 0.04 -0.55 8.28 7.82 3hp6A1 THR 604 HA -0.06 0.27 0.31 -0.75 4.39 4.15 3hp6A1 THR 604 HB -0.13 -0.01 -0.00 -0.04 4.32 4.13 3hp6A1 THR 604 HG23 -0.52 -0.03 -0.17 -0.04 1.22 0.46 3hp6A1 ILE 605 H -0.11 0.39 0.20 -0.55 8.25 8.18 3hp6A1 ILE 605 HA 0.06 0.19 0.74 -0.75 4.18 4.41 3hp6A1 ILE 605 HB -0.09 -0.04 0.12 -0.04 1.89 1.84 3hp6A1 ILE 605 HG12 -0.59 -0.00 0.01 -0.04 1.49 0.86 3hp6A1 ILE 605 HG13 -0.01 0.21 -0.31 -0.04 1.21 1.06 3hp6A1 ILE 605 HG23 0.03 -0.03 -0.23 -0.04 0.93 0.67 3hp6A1 ILE 605 HD13 -0.42 -0.04 0.02 -0.04 0.88 0.40 3hp6A1 PHE 606 H 0.16 0.23 0.01 -0.55 8.34 8.19 3hp6A1 PHE 606 HA 0.04 0.31 0.97 -0.75 4.62 5.19 3hp6A1 PHE 606 HB2 0.06 -0.01 0.13 -0.04 3.15 3.28 3hp6A1 PHE 606 HB3 0.03 -0.01 -0.04 -0.04 3.06 3.01 3hp6A1 PHE 606 HD2 0.05 0.05 -0.05 -0.04 7.28 7.29 3hp6A1 PHE 606 HE2 0.01 0.15 -0.04 -0.04 7.38 7.46 3hp6A1 PHE 606 HZ -0.01 -0.01 0.08 -0.04 7.32 7.33 3hp6A1 ASN 607 H 0.11 0.48 0.12 -0.55 8.53 8.69 3hp6A1 ASN 607 HA 0.05 0.09 0.67 -0.75 4.76 4.81 3hp6A1 ASN 607 HB2 0.04 0.08 -0.01 -0.04 2.88 2.94 3hp6A1 ASN 607 HB3 0.04 -0.10 0.11 -0.04 2.79 2.79 3hp6A1 ASN 607 HD21 0.01 0.08 -0.09 -0.04 7.03 7.00 3hp6A1 ASN 607 HD22 0.02 0.01 -0.07 -0.04 7.74 7.66 3hp6A1 GLN 608 H -0.03 0.21 0.16 -0.55 8.47 8.27 3hp6A1 GLN 608 HA -0.04 0.16 0.59 -0.75 4.36 4.32 3hp6A1 GLN 608 HB2 -0.02 0.07 0.05 -0.04 2.15 2.21 3hp6A1 GLN 608 HB3 -0.12 -0.06 -0.03 -0.04 2.02 1.77 3hp6A1 GLN 608 HG2 -0.07 0.02 0.08 -0.04 2.40 2.39 3hp6A1 GLN 608 HG3 -0.02 0.04 0.03 -0.04 2.39 2.40 3hp6A1 GLN 608 HE21 -0.02 0.39 0.14 -0.04 6.97 7.44 3hp6A1 GLN 608 HE22 -0.00 -0.00 0.05 -0.04 7.69 7.69 3hp6A1 ALA 609 H -0.22 0.01 -0.24 -0.55 8.40 7.40 3hp6A1 ALA 609 HA -1.88 0.30 0.81 -0.75 4.34 2.82 3hp6A1 ALA 609 HB3 -0.30 0.00 -0.01 -0.04 1.41 1.06 3hp6A1 LEU 610 H -0.23 0.09 -0.21 -0.55 8.37 7.47 3hp6A1 LEU 610 HA 0.04 0.30 0.98 -0.75 4.35 4.91 3hp6A1 LEU 610 HB2 -0.00 -0.03 -0.18 -0.04 1.64 1.38 3hp6A1 LEU 610 HB3 0.02 -0.04 -0.01 -0.04 1.64 1.57 3hp6A1 LEU 610 HG 0.05 0.07 -0.06 -0.04 1.64 1.66 3hp6A1 LEU 610 HD13 0.03 -0.01 -0.07 -0.04 0.93 0.85 3hp6A1 LEU 610 HD23 0.06 -0.02 -0.24 -0.04 0.89 0.65 3hp6A1 THR 611 H 0.11 0.11 0.02 -0.55 8.28 7.97 3hp6A1 THR 611 HA 0.10 0.09 0.13 -0.75 4.39 3.96 3hp6A1 THR 611 HB 0.07 -0.07 0.06 -0.04 4.32 4.34 3hp6A1 THR 611 HG23 0.09 0.02 -0.22 -0.04 1.22 1.07 3hp6A1 GLN 612 H 0.07 0.11 0.15 -0.55 8.47 8.26 3hp6A1 GLN 612 HA 0.07 0.21 0.41 -0.75 4.36 4.30 3hp6A1 GLN 612 HB2 0.04 -0.06 0.07 -0.04 2.15 2.16 3hp6A1 GLN 612 HB3 0.04 0.05 0.10 -0.04 2.02 2.17 3hp6A1 GLN 612 HG2 0.06 -0.05 0.04 -0.04 2.40 2.42 3hp6A1 GLN 612 HG3 0.05 -0.00 0.01 -0.04 2.39 2.41 3hp6A1 GLN 612 HE21 0.11 0.30 -0.19 -0.04 6.97 7.16 3hp6A1 GLN 612 HE22 0.10 0.03 -0.06 -0.04 7.69 7.72 3hp6A1 THR 613 H 0.06 -0.10 -0.32 -0.55 8.28 7.37 3hp6A1 THR 613 HA 0.01 0.29 0.63 -0.75 4.39 4.56 3hp6A1 THR 613 HB 0.00 0.02 -0.04 -0.04 4.32 4.26 3hp6A1 THR 613 HG23 -0.01 0.00 -0.11 -0.04 1.22 1.06 3hp6A1 GLY 614 H 0.12 0.14 -0.27 -0.55 8.43 7.88 3hp6A1 GLY 614 HA2 0.22 0.11 0.22 -0.51 4.01 4.05 3hp6A1 GLY 614 HA3 0.07 0.15 0.59 -0.51 4.01 4.30 3hp6A1 ARG 615 H 0.08 -0.11 -0.27 -0.55 8.46 7.61 3hp6A1 ARG 615 HA 0.11 0.11 0.65 -0.75 4.34 4.45 3hp6A1 ARG 615 HB2 0.06 -0.16 0.02 -0.04 1.90 1.77 3hp6A1 ARG 615 HB3 0.15 0.26 0.06 -0.04 1.80 2.23 3hp6A1 ARG 615 HG2 0.11 0.03 0.06 -0.04 1.67 1.83 3hp6A1 ARG 615 HG3 0.02 0.02 -0.07 -0.04 1.67 1.59 3hp6A1 ARG 615 HD2 -0.11 -0.06 -0.03 -0.04 3.22 2.97 3hp6A1 ARG 615 HD3 -0.34 0.05 0.01 -0.04 3.22 2.90 3hp6A1 LEU 616 H 0.15 0.07 0.15 -0.55 8.37 8.19 3hp6A1 LEU 616 HA 0.10 0.24 0.79 -0.75 4.35 4.73 3hp6A1 LEU 616 HB2 0.14 -0.08 -0.05 -0.04 1.64 1.61 3hp6A1 LEU 616 HB3 0.20 0.06 0.01 -0.04 1.64 1.88 3hp6A1 LEU 616 HG 0.03 -0.02 0.04 -0.04 1.64 1.65 3hp6A1 LEU 616 HD13 -0.23 -0.01 -0.04 -0.04 0.93 0.61 3hp6A1 LEU 616 HD23 0.02 0.02 -0.08 -0.04 0.89 0.81 3hp6A1 SER 617 H 0.13 0.49 0.27 -0.55 8.46 8.80 3hp6A1 SER 617 HA 0.20 0.17 0.51 -0.75 4.49 4.61 3hp6A1 SER 617 HB2 0.09 -0.01 0.13 -0.04 3.95 4.11 3hp6A1 SER 617 HB3 0.10 0.02 0.02 -0.04 3.93 4.03 3hp6A1 SER 618 H 0.08 0.23 0.15 -0.55 8.46 8.38 3hp6A1 SER 618 HA -0.12 0.38 0.97 -0.75 4.49 4.96 3hp6A1 SER 618 HB2 -0.08 0.12 -0.14 -0.04 3.95 3.80 3hp6A1 SER 618 HB3 0.02 -0.13 0.08 -0.04 3.93 3.86 3hp6A1 THR 619 H -0.11 0.51 0.24 -0.55 8.28 8.37 3hp6A1 THR 619 HA -0.02 0.09 0.88 -0.75 4.39 4.59 3hp6A1 THR 619 HB -0.02 -0.00 -0.02 -0.04 4.32 4.24 3hp6A1 THR 619 HG23 0.00 -0.02 -0.20 -0.04 1.22 0.97 3hp6A1 GLU 620 H -0.02 0.06 0.03 -0.55 8.60 8.12 3hp6A1 GLU 620 HA -0.02 0.00 0.30 -0.75 4.29 3.82 3hp6A1 GLU 620 HB2 -0.03 -0.11 -0.10 -0.04 2.09 1.82 3hp6A1 GLU 620 HB3 -0.03 0.14 0.03 -0.04 1.99 2.08 3hp6A1 GLU 620 HG2 -0.03 0.12 0.04 -0.04 2.34 2.43 3hp6A1 GLU 620 HG3 -0.02 -0.02 0.02 -0.04 2.34 2.28 3hp6A1 PRO 621 HA 0.00 -0.07 0.22 -0.51 4.44 4.08 3hp6A1 PRO 621 HB2 0.09 0.07 -0.29 -0.04 2.28 2.11 3hp6A1 PRO 621 HB3 0.04 0.09 -0.09 -0.04 2.02 2.01 3hp6A1 PRO 621 HG2 0.04 -0.05 -0.21 -0.04 2.03 1.77 3hp6A1 PRO 621 HG3 0.05 0.08 -0.10 -0.04 2.03 2.02 3hp6A1 PRO 621 HD2 -0.03 0.08 -0.12 -0.04 3.68 3.57 3hp6A1 PRO 621 HD3 -0.01 0.19 0.16 -0.04 3.65 3.94 3hp6A1 ASN 622 H 0.02 0.13 -0.00 -0.55 8.53 8.13 3hp6A1 ASN 622 HA -0.00 0.06 0.40 -0.75 4.76 4.46 3hp6A1 ASN 622 HB2 0.03 0.07 0.16 -0.04 2.88 3.09 3hp6A1 ASN 622 HB3 0.06 0.00 0.12 -0.04 2.79 2.93 3hp6A1 ASN 622 HD21 0.10 0.01 -0.06 -0.04 7.03 7.04 3hp6A1 ASN 622 HD22 0.06 0.02 0.02 -0.04 7.74 7.80 3hp6A1 LEU 623 H -0.01 0.22 0.02 -0.55 8.37 8.05 3hp6A1 LEU 623 HA 0.13 0.21 0.76 -0.75 4.35 4.70 3hp6A1 LEU 623 HB2 0.00 0.02 -0.00 -0.04 1.64 1.62 3hp6A1 LEU 623 HB3 0.04 0.02 0.07 -0.04 1.64 1.74 3hp6A1 LEU 623 HG 0.02 0.11 -0.30 -0.04 1.64 1.42 3hp6A1 LEU 623 HD13 0.05 0.02 -0.09 -0.04 0.93 0.87 3hp6A1 LEU 623 HD23 0.25 0.03 -0.27 -0.04 0.89 0.86 3hp6A1 GLN 624 H 0.09 0.04 -0.27 -0.55 8.47 7.78 3hp6A1 GLN 624 HA 0.11 0.30 0.89 -0.75 4.36 4.90 3hp6A1 GLN 624 HB2 0.12 -0.04 0.00 -0.04 2.15 2.19 3hp6A1 GLN 624 HB3 -0.01 0.01 0.12 -0.04 2.02 2.11 3hp6A1 GLN 624 HG2 0.05 0.25 0.02 -0.04 2.40 2.68 3hp6A1 GLN 624 HG3 0.11 -0.14 -0.12 -0.04 2.39 2.19 3hp6A1 GLN 624 HE21 -0.03 -0.05 -0.15 -0.04 6.97 6.70 3hp6A1 GLN 624 HE22 -0.08 0.45 0.01 -0.04 7.69 8.03 3hp6A1 ASN 625 H 0.14 0.11 -0.36 -0.55 8.53 7.87 3hp6A1 ASN 625 HA 0.08 0.24 0.55 -0.75 4.76 4.88 3hp6A1 ASN 625 HB2 0.13 -0.01 0.09 -0.04 2.88 3.04 3hp6A1 ASN 625 HB3 0.12 0.01 -0.17 -0.04 2.79 2.71 3hp6A1 ASN 625 HD21 0.07 -0.00 -0.04 -0.04 7.03 7.02 3hp6A1 ASN 625 HD22 0.11 -0.01 -0.02 -0.04 7.74 7.78 3hp6A1 ILE 626 H 0.03 0.11 -0.28 -0.55 8.25 7.57 3hp6A1 ILE 626 HA -0.33 0.09 0.50 -0.75 4.18 3.69 3hp6A1 ILE 626 HB -0.52 0.02 -0.05 -0.04 1.89 1.30 3hp6A1 ILE 626 HG12 0.10 -0.08 -0.10 -0.04 1.49 1.36 3hp6A1 ILE 626 HG13 -0.13 0.05 -0.05 -0.04 1.21 1.04 3hp6A1 ILE 626 HG23 -0.38 0.04 -0.13 -0.04 0.93 0.41 3hp6A1 ILE 626 HD13 0.26 0.01 -0.10 -0.04 0.88 1.01 3hp6A1 PRO 627 HA -0.20 -0.03 0.16 -0.51 4.44 3.86 3hp6A1 PRO 627 HB2 -0.24 0.09 -0.48 -0.04 2.28 1.60 3hp6A1 PRO 627 HB3 -0.18 -0.13 -0.03 -0.04 2.02 1.65 3hp6A1 PRO 627 HG2 -0.53 0.02 0.06 -0.04 2.03 1.54 3hp6A1 PRO 627 HG3 -0.47 0.04 0.04 -0.04 2.03 1.59 3hp6A1 PRO 627 HD2 -0.74 0.11 0.15 -0.04 3.68 3.17 3hp6A1 PRO 627 HD3 -1.49 0.20 0.23 -0.04 3.65 2.55 3hp6A1 ILE 628 H -0.14 -0.19 0.15 -0.55 8.25 7.52 3hp6A1 ILE 628 HA -0.19 0.17 0.52 -0.75 4.18 3.93 3hp6A1 ILE 628 HB -0.25 0.17 -0.21 -0.04 1.89 1.56 3hp6A1 ILE 628 HG12 -0.14 -0.05 -0.12 -0.04 1.49 1.15 3hp6A1 ILE 628 HG13 -0.23 0.03 0.04 -0.04 1.21 1.01 3hp6A1 ILE 628 HG23 -0.09 -0.01 -0.14 -0.04 0.93 0.65 3hp6A1 ILE 628 HD13 -0.16 0.01 -0.10 -0.04 0.88 0.59 3hp6A1 ARG 629 H -0.08 -0.07 0.13 -0.55 8.46 7.89 3hp6A1 ARG 629 HA -0.05 0.17 0.22 -0.75 4.34 3.92 3hp6A1 ARG 629 HB2 -0.03 -0.05 0.08 -0.04 1.90 1.85 3hp6A1 ARG 629 HB3 -0.03 0.04 0.03 -0.04 1.80 1.81 3hp6A1 ARG 629 HG2 -0.04 0.07 -0.02 -0.04 1.67 1.64 3hp6A1 ARG 629 HG3 -0.05 -0.06 0.04 -0.04 1.67 1.56 3hp6A1 ARG 629 HD2 -0.01 -0.02 -0.01 -0.04 3.22 3.14 3hp6A1 ARG 629 HD3 -0.02 0.02 -0.01 -0.04 3.22 3.17 3hp6A1 LEU 630 H -0.05 0.01 -0.14 -0.55 8.37 7.64 3hp6A1 LEU 630 HA -0.02 0.26 0.91 -0.75 4.35 4.74 3hp6A1 LEU 630 HB2 -0.02 -0.08 0.05 -0.04 1.64 1.56 3hp6A1 LEU 630 HB3 -0.00 -0.04 0.01 -0.04 1.64 1.57 3hp6A1 LEU 630 HG -0.01 -0.06 -0.31 -0.04 1.64 1.22 3hp6A1 LEU 630 HD13 0.01 0.01 -0.03 -0.04 0.93 0.88 3hp6A1 LEU 630 HD23 -0.00 0.06 0.01 -0.04 0.89 0.92 3hp6A1 GLU 631 H -0.01 0.21 0.08 -0.55 8.60 8.34 3hp6A1 GLU 631 HA 0.01 0.15 0.15 -0.75 4.29 3.84 3hp6A1 GLU 631 HB2 -0.00 0.07 0.07 -0.04 2.09 2.19 3hp6A1 GLU 631 HB3 0.01 -0.02 0.07 -0.04 1.99 2.00 3hp6A1 GLU 631 HG2 0.03 0.03 -0.04 -0.04 2.34 2.32 3hp6A1 GLU 631 HG3 0.04 -0.01 -0.18 -0.04 2.34 2.15 3hp6A1 GLU 632 H 0.00 0.06 -0.18 -0.55 8.60 7.93 3hp6A1 GLU 632 HA 0.00 0.13 0.41 -0.75 4.29 4.07 3hp6A1 GLU 632 HB2 0.02 -0.06 0.06 -0.04 2.09 2.06 3hp6A1 GLU 632 HB3 0.01 0.05 -0.09 -0.04 1.99 1.92 3hp6A1 GLU 632 HG2 0.01 0.04 0.01 -0.04 2.34 2.37 3hp6A1 GLU 632 HG3 0.03 -0.00 -0.00 -0.04 2.34 2.32 3hp6A1 GLY 633 H -0.02 0.08 -0.20 -0.55 8.43 7.74 3hp6A1 GLY 633 HA2 -0.06 0.09 0.36 -0.51 4.01 3.89 3hp6A1 GLY 633 HA3 -0.08 -0.01 0.24 -0.51 4.01 3.65 3hp6A1 ARG 634 H -0.04 0.42 -0.32 -0.55 8.46 7.96 3hp6A1 ARG 634 HA -0.14 0.31 0.11 -0.75 4.34 3.87 3hp6A1 ARG 634 HB2 -0.07 0.02 -0.23 -0.04 1.90 1.58 3hp6A1 ARG 634 HB3 0.05 0.07 -0.07 -0.04 1.80 1.81 3hp6A1 ARG 634 HG2 -0.07 -0.06 -0.11 -0.04 1.67 1.39 3hp6A1 ARG 634 HG3 -0.19 0.04 0.05 -0.04 1.67 1.52 3hp6A1 ARG 634 HD2 -0.13 0.19 -0.11 -0.04 3.22 3.14 3hp6A1 ARG 634 HD3 -0.11 -0.07 -0.11 -0.04 3.22 2.88 3hp6A1 LYS 635 H 0.00 0.36 -0.56 -0.55 8.42 7.67 3hp6A1 LYS 635 HA -0.09 0.02 0.31 -0.75 4.32 3.81 3hp6A1 LYS 635 HB2 -0.05 0.19 0.04 -0.04 1.87 2.01 3hp6A1 LYS 635 HB3 -0.13 -0.07 0.03 -0.04 1.79 1.58 3hp6A1 LYS 635 HG2 -0.16 -0.06 -0.00 -0.04 1.46 1.20 3hp6A1 LYS 635 HG3 -0.00 0.32 0.10 -0.04 1.46 1.84 3hp6A1 LYS 635 HD2 -0.05 0.00 0.02 -0.04 1.69 1.62 3hp6A1 LYS 635 HD3 -0.12 -0.04 -0.01 -0.04 1.68 1.47 3hp6A1 LYS 635 HE2 -0.01 -0.01 -0.10 -0.04 2.99 2.83 3hp6A1 LYS 635 HE3 -0.04 -0.03 -0.04 -0.04 2.99 2.84 3hp6A1 ILE 636 H -0.04 0.49 -0.34 -0.55 8.25 7.80 3hp6A1 ILE 636 HA 0.02 0.02 0.48 -0.75 4.18 3.95 3hp6A1 ILE 636 HB -0.11 0.13 0.05 -0.04 1.89 1.93 3hp6A1 ILE 636 HG12 -0.05 -0.00 0.12 -0.04 1.49 1.51 3hp6A1 ILE 636 HG13 -0.14 -0.05 0.10 -0.04 1.21 1.08 3hp6A1 ILE 636 HG23 0.16 -0.01 -0.03 -0.04 0.93 1.02 3hp6A1 ILE 636 HD13 0.06 -0.00 -0.03 -0.04 0.88 0.86 3hp6A1 ARG 637 H 0.02 0.59 -0.40 -0.55 8.46 8.12 3hp6A1 ARG 637 HA 0.25 0.08 0.27 -0.75 4.34 4.19 3hp6A1 ARG 637 HB2 0.03 0.24 0.10 -0.04 1.90 2.23 3hp6A1 ARG 637 HB3 -0.12 -0.20 -0.03 -0.04 1.80 1.41 3hp6A1 ARG 637 HG2 -0.88 -0.09 -0.09 -0.04 1.67 0.58 3hp6A1 ARG 637 HG3 -0.39 0.16 0.00 -0.04 1.67 1.40 3hp6A1 ARG 637 HD2 -0.54 0.01 -0.05 -0.04 3.22 2.60 3hp6A1 ARG 637 HD3 -1.42 -0.06 -0.19 -0.04 3.22 1.50 3hp6A1 GLN 638 H 0.05 0.56 -0.46 -0.55 8.47 8.08 3hp6A1 GLN 638 HA 0.13 -0.05 0.55 -0.75 4.36 4.24 3hp6A1 GLN 638 HB2 -0.09 0.16 0.06 -0.04 2.15 2.24 3hp6A1 GLN 638 HB3 -0.07 -0.04 0.07 -0.04 2.02 1.94 3hp6A1 GLN 638 HG2 -0.36 -0.08 -0.01 -0.04 2.40 1.90 3hp6A1 GLN 638 HG3 -0.46 -0.00 0.05 -0.04 2.39 1.94 3hp6A1 GLN 638 HE21 -0.44 -0.01 -0.02 -0.04 6.97 6.46 3hp6A1 GLN 638 HE22 -0.85 -0.03 -0.05 -0.04 7.69 6.72 3hp6A1 ALA 639 H 0.12 0.48 -0.30 -0.55 8.40 8.15 3hp6A1 ALA 639 HA -0.02 0.06 0.66 -0.75 4.34 4.29 3hp6A1 ALA 639 HB3 -0.08 0.03 0.13 -0.04 1.41 1.45 3hp6A1 PHE 640 H 0.36 0.24 -0.47 -0.55 8.34 7.91 3hp6A1 PHE 640 HA 0.11 0.28 0.86 -0.75 4.62 5.12 3hp6A1 PHE 640 HB2 0.48 -0.03 0.21 -0.04 3.15 3.78 3hp6A1 PHE 640 HB3 0.26 0.02 0.02 -0.04 3.06 3.32 3hp6A1 PHE 640 HD2 0.15 0.01 -0.06 -0.04 7.28 7.35 3hp6A1 PHE 640 HE2 0.12 0.00 -0.10 -0.04 7.38 7.35 3hp6A1 PHE 640 HZ 0.17 -0.02 -0.09 -0.04 7.32 7.33 3hp6A1 VAL 641 H 0.07 0.70 0.26 -0.55 8.24 8.73 3hp6A1 VAL 641 HA 0.14 0.13 0.84 -0.75 4.13 4.48 3hp6A1 VAL 641 HB 0.05 0.08 0.05 -0.04 2.12 2.26 3hp6A1 VAL 641 HG13 0.05 -0.05 -0.22 -0.04 0.97 0.72 3hp6A1 VAL 641 HG23 -0.01 0.02 -0.26 -0.04 0.95 0.67 3hp6A1 PRO 642 HA 0.10 0.01 0.48 -0.51 4.44 4.52 3hp6A1 PRO 642 HB2 0.13 0.11 -0.02 -0.04 2.28 2.46 3hp6A1 PRO 642 HB3 0.29 -0.13 -0.14 -0.04 2.02 2.01 3hp6A1 PRO 642 HG2 0.16 0.25 0.01 -0.04 2.03 2.41 3hp6A1 PRO 642 HG3 0.17 -0.12 -0.30 -0.04 2.03 1.74 3hp6A1 PRO 642 HD2 0.11 0.20 0.28 -0.04 3.68 4.23 3hp6A1 PRO 642 HD3 0.14 0.06 0.07 -0.04 3.65 3.88 3hp6A1 SER 643 H -0.06 0.08 0.12 -0.55 8.46 8.05 3hp6A1 SER 643 HA -0.11 0.15 0.31 -0.75 4.49 4.09 3hp6A1 SER 643 HB2 -0.20 0.06 0.05 -0.04 3.95 3.82 3hp6A1 SER 643 HB3 -0.10 0.05 0.06 -0.04 3.93 3.90 3hp6A1 GLU 644 H -0.42 0.02 -0.13 -0.55 8.60 7.53 3hp6A1 GLU 644 HA -0.28 0.20 0.71 -0.75 4.29 4.17 3hp6A1 GLU 644 HB2 -1.89 -0.06 -0.04 -0.04 2.09 0.05 3hp6A1 GLU 644 HB3 -0.44 0.01 0.10 -0.04 1.99 1.62 3hp6A1 GLU 644 HG2 -0.87 -0.04 -0.38 -0.04 2.34 1.00 3hp6A1 GLU 644 HG3 -1.01 -0.00 -0.06 -0.04 2.34 1.22 3hp6A1 SER 645 H -0.07 0.14 0.10 -0.55 8.46 8.07 3hp6A1 SER 645 HA 0.05 0.09 0.59 -0.75 4.49 4.46 3hp6A1 SER 645 HB2 0.04 0.01 0.10 -0.04 3.95 4.05 3hp6A1 SER 645 HB3 0.06 -0.01 0.04 -0.04 3.93 3.97 3hp6A1 ASP 646 H 0.12 0.17 0.19 -0.55 8.40 8.33 3hp6A1 ASP 646 HA 0.13 0.03 0.36 -0.75 4.63 4.38 3hp6A1 ASP 646 HB2 0.18 0.22 -0.20 -0.04 2.71 2.87 3hp6A1 ASP 646 HB3 0.11 -0.12 0.23 -0.04 2.70 2.87 3hp6A1 TRP 647 H 0.38 0.26 -0.52 -0.55 7.97 7.55 3hp6A1 TRP 647 HA 0.01 0.08 0.92 -0.75 4.62 4.88 3hp6A1 TRP 647 HB2 0.01 0.16 -0.02 -0.04 3.23 3.34 3hp6A1 TRP 647 HB3 0.00 -0.02 -0.06 -0.04 3.23 3.12 3hp6A1 TRP 647 HD1 0.01 0.20 -0.41 -0.04 7.22 6.98 3hp6A1 TRP 647 HE1 0.01 0.01 -0.05 -0.04 10.20 10.12 3hp6A1 TRP 647 HE3 -0.04 -0.07 -0.25 -0.04 7.59 7.20 3hp6A1 TRP 647 HZ2 0.03 0.01 -0.02 -0.04 7.44 7.42 3hp6A1 TRP 647 HZ3 0.03 0.12 -0.15 -0.04 7.13 7.09 3hp6A1 TRP 647 HH2 0.13 0.17 -0.02 -0.04 7.19 7.43 3hp6A1 LEU 648 H 0.06 0.69 0.28 -0.55 8.37 8.85 3hp6A1 LEU 648 HA 0.16 0.19 0.82 -0.75 4.35 4.77 3hp6A1 LEU 648 HB2 0.06 -0.04 -0.06 -0.04 1.64 1.57 3hp6A1 LEU 648 HB3 0.21 0.07 0.01 -0.04 1.64 1.88 3hp6A1 LEU 648 HG 0.08 -0.05 -0.33 -0.04 1.64 1.29 3hp6A1 LEU 648 HD13 0.17 -0.01 -0.08 -0.04 0.93 0.97 3hp6A1 LEU 648 HD23 0.15 0.01 -0.18 -0.04 0.89 0.83 3hp6A1 ILE 649 H 0.17 0.47 0.24 -0.55 8.25 8.58 3hp6A1 ILE 649 HA 0.10 0.24 0.90 -0.75 4.18 4.67 3hp6A1 ILE 649 HB 0.16 0.02 -0.13 -0.04 1.89 1.91 3hp6A1 ILE 649 HG12 0.15 -0.01 -0.16 -0.04 1.49 1.42 3hp6A1 ILE 649 HG13 0.16 -0.01 -0.25 -0.04 1.21 1.07 3hp6A1 ILE 649 HG23 -0.00 0.00 -0.17 -0.04 0.93 0.72 3hp6A1 ILE 649 HD13 0.06 0.01 -0.26 -0.04 0.88 0.64 3hp6A1 PHE 650 H 0.16 0.67 0.25 -0.55 8.34 8.87 3hp6A1 PHE 650 HA 0.15 0.24 0.95 -0.75 4.62 5.21 3hp6A1 PHE 650 HB2 -0.00 -0.03 -0.18 -0.04 3.15 2.89 3hp6A1 PHE 650 HB3 -0.03 -0.08 0.00 -0.04 3.06 2.92 3hp6A1 PHE 650 HD2 0.00 -0.03 -0.30 -0.04 7.28 6.91 3hp6A1 PHE 650 HE2 0.05 -0.02 -0.25 -0.04 7.38 7.13 3hp6A1 PHE 650 HZ -0.04 0.04 -0.26 -0.04 7.32 7.02 3hp6A1 ALA 651 H -0.32 0.85 0.40 -0.55 8.40 8.78 3hp6A1 ALA 651 HA 0.04 0.23 1.11 -0.75 4.34 4.96 3hp6A1 ALA 651 HB3 0.12 0.02 0.04 -0.04 1.41 1.55 3hp6A1 ALA 652 H 0.05 0.58 0.36 -0.55 8.40 8.85 3hp6A1 ALA 652 HA -0.01 0.33 1.09 -0.75 4.34 5.00 3hp6A1 ALA 652 HB3 0.11 -0.02 -0.07 -0.04 1.41 1.39 3hp6A1 ASP 653 H -0.01 0.75 0.36 -0.55 8.40 8.95 3hp6A1 ASP 653 HA -0.00 0.15 1.22 -0.75 4.63 5.25 3hp6A1 ASP 653 HB2 0.08 0.07 0.05 -0.04 2.71 2.87 3hp6A1 ASP 653 HB3 0.06 -0.03 -0.20 -0.04 2.70 2.49 3hp6A1 TYR 654 H 0.11 0.56 0.35 -0.55 8.29 8.75 3hp6A1 TYR 654 HA 0.03 0.25 0.75 -0.75 4.56 4.84 3hp6A1 TYR 654 HB2 0.03 -0.03 0.24 -0.04 3.06 3.26 3hp6A1 TYR 654 HB3 0.01 -0.06 0.03 -0.04 2.98 2.91 3hp6A1 TYR 654 HD2 0.00 -0.00 -0.02 -0.04 7.15 7.09 3hp6A1 TYR 654 HE2 -0.01 0.06 -0.13 -0.04 6.85 6.72 3hp6A1 SER 655 H 0.14 0.81 0.37 -0.55 8.46 9.24 3hp6A1 SER 655 HA 0.12 0.06 0.77 -0.75 4.49 4.69 3hp6A1 SER 655 HB2 0.08 0.04 0.01 -0.04 3.95 4.04 3hp6A1 SER 655 HB3 0.08 0.00 0.14 -0.04 3.93 4.12 3hp6A1 GLN 656 H 0.15 0.22 0.15 -0.55 8.47 8.45 3hp6A1 GLN 656 HA 0.24 0.00 0.34 -0.75 4.36 4.18 3hp6A1 GLN 656 HB2 0.06 0.19 -0.10 -0.04 2.15 2.25 3hp6A1 GLN 656 HB3 0.13 -0.08 0.13 -0.04 2.02 2.16 3hp6A1 GLN 656 HG2 0.09 -0.04 0.01 -0.04 2.40 2.42 3hp6A1 GLN 656 HG3 0.18 0.01 -0.00 -0.04 2.39 2.53 3hp6A1 GLN 656 HE21 0.05 0.07 0.06 -0.04 6.97 7.11 3hp6A1 GLN 656 HE22 -0.14 -0.12 0.04 -0.04 7.69 7.42 3hp6A1 ILE 657 H 0.08 0.17 -0.34 -0.55 8.25 7.62 3hp6A1 ILE 657 HA -0.12 0.15 0.34 -0.75 4.18 3.80 3hp6A1 ILE 657 HB -0.05 0.05 0.03 -0.04 1.89 1.87 3hp6A1 ILE 657 HG12 -0.21 -0.04 -0.06 -0.04 1.49 1.13 3hp6A1 ILE 657 HG13 -0.29 0.03 0.07 -0.04 1.21 0.98 3hp6A1 ILE 657 HG23 -0.01 0.01 0.03 -0.04 0.93 0.92 3hp6A1 ILE 657 HD13 -0.88 0.03 0.04 -0.04 0.88 0.03 3hp6A1 GLU 658 H 0.11 0.08 -0.17 -0.55 8.60 8.07 3hp6A1 GLU 658 HA 0.04 0.13 0.36 -0.75 4.29 4.07 3hp6A1 GLU 658 HB2 0.40 -0.05 0.03 -0.04 2.09 2.43 3hp6A1 GLU 658 HB3 0.31 0.06 -0.09 -0.04 1.99 2.23 3hp6A1 GLU 658 HG2 0.09 0.09 -0.12 -0.04 2.34 2.36 3hp6A1 GLU 658 HG3 0.08 -0.03 -0.01 -0.04 2.34 2.34 3hp6A1 LEU 659 H 0.09 0.13 -0.20 -0.55 8.37 7.85 3hp6A1 LEU 659 HA -0.03 0.10 0.62 -0.75 4.35 4.28 3hp6A1 LEU 659 HB2 0.09 0.09 0.09 -0.04 1.64 1.87 3hp6A1 LEU 659 HB3 0.14 0.00 0.03 -0.04 1.64 1.77 3hp6A1 LEU 659 HG -0.21 -0.08 -0.05 -0.04 1.64 1.26 3hp6A1 LEU 659 HD13 -0.30 -0.01 -0.05 -0.04 0.93 0.53 3hp6A1 LEU 659 HD23 -0.29 0.05 -0.04 -0.04 0.89 0.57 3hp6A1 ARG 660 H -0.32 0.45 -0.10 -0.55 8.46 7.95 3hp6A1 ARG 660 HA -0.67 0.04 0.56 -0.75 4.34 3.52 3hp6A1 ARG 660 HB2 -0.32 0.08 0.15 -0.04 1.90 1.77 3hp6A1 ARG 660 HB3 -0.37 0.04 -0.02 -0.04 1.80 1.42 3hp6A1 ARG 660 HG2 -1.67 -0.03 0.04 -0.04 1.67 -0.03 3hp6A1 ARG 660 HG3 -0.99 0.02 0.06 -0.04 1.67 0.71 3hp6A1 ARG 660 HD2 -0.21 -0.05 0.02 -0.04 3.22 2.93 3hp6A1 ARG 660 HD3 -0.25 0.24 0.16 -0.04 3.22 3.32 3hp6A1 VAL 661 H -0.13 0.59 -0.05 -0.55 8.24 8.09 3hp6A1 VAL 661 HA -0.08 0.03 0.48 -0.75 4.13 3.81 3hp6A1 VAL 661 HB -0.05 0.06 0.20 -0.04 2.12 2.29 3hp6A1 VAL 661 HG13 -0.04 -0.00 -0.01 -0.04 0.97 0.87 3hp6A1 VAL 661 HG23 -0.13 0.04 -0.01 -0.04 0.95 0.81 3hp6A1 LEU 662 H -0.06 0.47 -0.23 -0.55 8.37 8.01 3hp6A1 LEU 662 HA -0.19 0.05 0.40 -0.75 4.35 3.85 3hp6A1 LEU 662 HB2 -0.09 0.05 0.14 -0.04 1.64 1.70 3hp6A1 LEU 662 HB3 -0.07 0.11 0.17 -0.04 1.64 1.82 3hp6A1 LEU 662 HG -0.11 -0.06 -0.20 -0.04 1.64 1.23 3hp6A1 LEU 662 HD13 -0.36 -0.00 0.06 -0.04 0.93 0.59 3hp6A1 LEU 662 HD23 -0.11 -0.02 0.01 -0.04 0.89 0.73 3hp6A1 ALA 663 H -0.00 0.44 -0.33 -0.55 8.40 7.96 3hp6A1 ALA 663 HA 0.04 -0.12 0.34 -0.75 4.34 3.85 3hp6A1 ALA 663 HB3 0.19 0.06 0.02 -0.04 1.41 1.64 3hp6A1 HIS 664 H 0.09 0.52 -0.17 -0.55 8.41 8.30 3hp6A1 HIS 664 HA -0.01 0.00 0.39 -0.75 4.63 4.26 3hp6A1 HIS 664 HB2 -0.05 -0.05 0.12 -0.04 3.26 3.24 3hp6A1 HIS 664 HB3 -0.06 0.16 0.20 -0.04 3.20 3.46 3hp6A1 HIS 664 HD2 -0.03 0.03 -0.15 -0.04 6.97 6.78 3hp6A1 HIS 664 HE1 -0.01 0.11 0.07 -0.04 7.75 7.87 3hp6A1 ILE 665 H 0.03 0.55 -0.05 -0.55 8.25 8.24 3hp6A1 ILE 665 HA -0.04 0.08 0.50 -0.75 4.18 3.97 3hp6A1 ILE 665 HB -0.17 0.00 0.11 -0.04 1.89 1.79 3hp6A1 ILE 665 HG12 0.13 -0.01 0.02 -0.04 1.49 1.59 3hp6A1 ILE 665 HG13 0.15 0.02 0.08 -0.04 1.21 1.42 3hp6A1 ILE 665 HG23 0.11 -0.00 -0.07 -0.04 0.93 0.92 3hp6A1 ILE 665 HD13 0.03 -0.03 -0.05 -0.04 0.88 0.78 3hp6A1 ALA 666 H -0.11 0.59 -0.08 -0.55 8.40 8.26 3hp6A1 ALA 666 HA 0.06 0.08 0.45 -0.75 4.34 4.18 3hp6A1 ALA 666 HB3 -0.05 -0.01 -0.03 -0.04 1.41 1.27 3hp6A1 GLU 667 H -0.04 0.38 -0.30 -0.55 8.60 8.10 3hp6A1 GLU 667 HA -0.02 0.11 0.27 -0.75 4.29 3.90 3hp6A1 GLU 667 HB2 -0.00 0.07 0.17 -0.04 2.09 2.28 3hp6A1 GLU 667 HB3 -0.02 -0.09 0.15 -0.04 1.99 1.99 3hp6A1 GLU 667 HG2 -0.10 0.18 -0.02 -0.04 2.34 2.35 3hp6A1 GLU 667 HG3 -0.04 0.13 -0.51 -0.04 2.34 1.88 3hp6A1 ASP 668 H 0.02 0.17 -0.13 -0.55 8.40 7.92 3hp6A1 ASP 668 HA 0.04 0.09 0.63 -0.75 4.63 4.64 3hp6A1 ASP 668 HB2 0.07 0.04 -0.05 -0.04 2.71 2.72 3hp6A1 ASP 668 HB3 0.07 -0.00 0.10 -0.04 2.70 2.82 3hp6A1 ASP 669 H 0.02 0.20 0.22 -0.55 8.40 8.30 3hp6A1 ASP 669 HA 0.02 0.14 0.32 -0.75 4.63 4.35 3hp6A1 ASP 669 HB2 -0.00 -0.06 0.21 -0.04 2.71 2.81 3hp6A1 ASP 669 HB3 -0.00 0.04 0.05 -0.04 2.70 2.74 3hp6A1 ASN 670 H 0.01 0.10 -0.01 -0.55 8.53 8.09 3hp6A1 ASN 670 HA -0.02 0.08 0.37 -0.75 4.76 4.43 3hp6A1 ASN 670 HB2 -0.08 0.01 0.21 -0.04 2.88 2.98 3hp6A1 ASN 670 HB3 -0.18 0.02 0.07 -0.04 2.79 2.65 3hp6A1 ASN 670 HD21 -0.13 -0.05 0.12 -0.04 7.03 6.93 3hp6A1 ASN 670 HD22 -0.27 0.94 0.32 -0.04 7.74 8.69 3hp6A1 LEU 671 H 0.21 0.03 -0.18 -0.55 8.37 7.88 3hp6A1 LEU 671 HA 0.04 0.03 0.45 -0.75 4.35 4.11 3hp6A1 LEU 671 HB2 0.07 -0.07 0.08 -0.04 1.64 1.68 3hp6A1 LEU 671 HB3 0.05 0.09 0.06 -0.04 1.64 1.80 3hp6A1 LEU 671 HG 0.10 0.04 -0.07 -0.04 1.64 1.67 3hp6A1 LEU 671 HD13 -0.55 -0.01 0.01 -0.04 0.93 0.33 3hp6A1 LEU 671 HD23 -0.10 0.00 -0.07 -0.04 0.89 0.68 3hp6A1 MET 672 H 0.06 0.63 -0.13 -0.55 8.47 8.49 3hp6A1 MET 672 HA 0.17 -0.01 0.39 -0.75 4.52 4.31 3hp6A1 MET 672 HB2 0.04 0.08 0.10 -0.04 2.15 2.32 3hp6A1 MET 672 HB3 0.06 0.05 0.00 -0.04 2.03 2.11 3hp6A1 MET 672 HG2 0.08 -0.10 -0.17 -0.04 2.63 2.39 3hp6A1 MET 672 HG3 0.05 0.10 -0.02 -0.04 2.56 2.65 3hp6A1 MET 672 HE3 0.01 -0.03 -0.42 -0.04 2.10 1.62 3hp6A1 GLU 673 H 0.02 0.54 -0.13 -0.55 8.60 8.49 3hp6A1 GLU 673 HA 0.01 0.02 0.42 -0.75 4.29 3.99 3hp6A1 GLU 673 HB2 -0.01 0.13 0.13 -0.04 2.09 2.31 3hp6A1 GLU 673 HB3 -0.02 0.06 0.11 -0.04 1.99 2.10 3hp6A1 GLU 673 HG2 -0.02 -0.03 -0.01 -0.04 2.34 2.25 3hp6A1 GLU 673 HG3 -0.02 -0.03 -0.06 -0.04 2.34 2.19 3hp6A1 ALA 674 H -0.08 0.45 -0.15 -0.55 8.40 8.08 3hp6A1 ALA 674 HA -0.12 -0.03 0.35 -0.75 4.34 3.78 3hp6A1 ALA 674 HB3 -0.36 0.04 0.04 -0.04 1.41 1.09 3hp6A1 PHE 675 H -0.11 0.39 -0.18 -0.55 8.34 7.88 3hp6A1 PHE 675 HA -0.00 0.06 0.52 -0.75 4.62 4.43 3hp6A1 PHE 675 HB2 0.00 0.09 0.14 -0.04 3.15 3.34 3hp6A1 PHE 675 HB3 0.00 0.07 0.07 -0.04 3.06 3.16 3hp6A1 PHE 675 HD2 -0.02 0.06 -0.01 -0.04 7.28 7.27 3hp6A1 PHE 675 HE2 -0.09 -0.02 -0.12 -0.04 7.38 7.11 3hp6A1 PHE 675 HZ -0.13 -0.12 -0.13 -0.04 7.32 6.90 3hp6A1 ARG 676 H 0.10 0.50 -0.00 -0.55 8.46 8.51 3hp6A1 ARG 676 HA 0.08 0.05 0.58 -0.75 4.34 4.29 3hp6A1 ARG 676 HB2 0.04 0.08 0.20 -0.04 1.90 2.18 3hp6A1 ARG 676 HB3 0.04 -0.05 0.05 -0.04 1.80 1.79 3hp6A1 ARG 676 HG2 0.05 -0.04 0.07 -0.04 1.67 1.72 3hp6A1 ARG 676 HG3 0.09 -0.03 0.14 -0.04 1.67 1.82 3hp6A1 ARG 676 HD2 0.05 0.01 -0.10 -0.04 3.22 3.14 3hp6A1 ARG 676 HD3 0.03 -0.08 -0.01 -0.04 3.22 3.13 3hp6A1 ARG 677 H 0.02 0.42 -0.26 -0.55 8.46 8.09 3hp6A1 ARG 677 HA 0.02 0.12 0.55 -0.75 4.34 4.27 3hp6A1 ARG 677 HB2 -0.01 0.04 0.04 -0.04 1.90 1.92 3hp6A1 ARG 677 HB3 -0.00 -0.07 0.12 -0.04 1.80 1.80 3hp6A1 ARG 677 HG2 0.00 -0.03 -0.02 -0.04 1.67 1.58 3hp6A1 ARG 677 HG3 0.01 0.04 -0.01 -0.04 1.67 1.66 3hp6A1 ARG 677 HD2 -0.01 -0.05 -0.03 -0.04 3.22 3.10 3hp6A1 ARG 677 HD3 -0.02 0.01 -0.12 -0.04 3.22 3.05 3hp6A1 ASP 678 H 0.06 0.33 -0.58 -0.55 8.40 7.66 3hp6A1 ASP 678 HA 0.08 0.06 0.31 -0.75 4.63 4.33 3hp6A1 ASP 678 HB2 0.04 0.04 -0.18 -0.04 2.71 2.57 3hp6A1 ASP 678 HB3 0.03 0.04 0.08 -0.04 2.70 2.81 3hp6A1 LEU 679 H -0.02 0.50 -0.14 -0.55 8.37 8.16 3hp6A1 LEU 679 HA -0.01 0.08 0.61 -0.75 4.35 4.27 3hp6A1 LEU 679 HB2 -0.11 -0.01 -0.03 -0.04 1.64 1.45 3hp6A1 LEU 679 HB3 -0.06 -0.10 -0.01 -0.04 1.64 1.43 3hp6A1 LEU 679 HG -0.03 0.09 -0.06 -0.04 1.64 1.60 3hp6A1 LEU 679 HD13 -0.05 -0.03 -0.04 -0.04 0.93 0.76 3hp6A1 LEU 679 HD23 -0.02 0.01 -0.03 -0.04 0.89 0.80 3hp6A1 ASP 680 H -0.02 0.14 0.12 -0.55 8.40 8.09 3hp6A1 ASP 680 HA -0.01 0.17 0.70 -0.75 4.63 4.73 3hp6A1 ASP 680 HB2 0.02 0.16 0.10 -0.04 2.71 2.95 3hp6A1 ASP 680 HB3 0.01 -0.04 0.19 -0.04 2.70 2.82 3hp6A1 ILE 681 H -0.14 0.26 0.12 -0.55 8.25 7.94 3hp6A1 ILE 681 HA -0.20 0.11 0.17 -0.75 4.18 3.51 3hp6A1 ILE 681 HB -0.53 0.14 0.01 -0.04 1.89 1.47 3hp6A1 ILE 681 HG12 -0.27 0.05 -0.03 -0.04 1.49 1.19 3hp6A1 ILE 681 HG13 -0.23 -0.04 -0.10 -0.04 1.21 0.80 3hp6A1 ILE 681 HG23 -0.31 0.00 -0.01 -0.04 0.93 0.57 3hp6A1 ILE 681 HD13 -0.30 0.00 0.01 -0.04 0.88 0.55 3hp6A1 HIS 682 H -0.24 0.09 -0.16 -0.55 8.41 7.55 3hp6A1 HIS 682 HA -0.00 0.13 0.42 -0.75 4.63 4.43 3hp6A1 HIS 682 HB2 0.03 -0.00 0.02 -0.04 3.26 3.27 3hp6A1 HIS 682 HB3 0.03 0.12 0.01 -0.04 3.20 3.31 3hp6A1 HIS 682 HD2 0.08 0.04 0.00 -0.04 6.97 7.04 3hp6A1 HIS 682 HE1 -0.09 0.04 -0.01 -0.04 7.75 7.64 3hp6A1 THR 683 H 0.06 0.09 -0.23 -0.55 8.28 7.65 3hp6A1 THR 683 HA 0.05 0.06 0.44 -0.75 4.39 4.19 3hp6A1 THR 683 HB 0.01 0.10 0.08 -0.04 4.32 4.47 3hp6A1 THR 683 HG23 0.01 0.01 -0.03 -0.04 1.22 1.17 3hp6A1 LYS 684 H -0.00 0.46 -0.17 -0.55 8.42 8.15 3hp6A1 LYS 684 HA 0.00 0.04 0.36 -0.75 4.32 3.97 3hp6A1 LYS 684 HB2 -0.03 0.01 0.01 -0.04 1.87 1.82 3hp6A1 LYS 684 HB3 -0.02 0.05 0.06 -0.04 1.79 1.85 3hp6A1 LYS 684 HG2 -0.02 0.02 -0.07 -0.04 1.46 1.34 3hp6A1 LYS 684 HG3 0.06 0.01 -0.24 -0.04 1.46 1.25 3hp6A1 LYS 684 HD2 -0.04 -0.04 0.00 -0.04 1.69 1.57 3hp6A1 LYS 684 HD3 -0.03 -0.02 0.00 -0.04 1.68 1.58 3hp6A1 LYS 684 HE2 -0.07 0.00 -0.03 -0.04 2.99 2.85 3hp6A1 LYS 684 HE3 -0.07 0.02 -0.04 -0.04 2.99 2.86 3hp6A1 THR 685 H 0.06 0.49 -0.18 -0.55 8.28 8.10 3hp6A1 THR 685 HA 0.16 0.05 0.37 -0.75 4.39 4.21 3hp6A1 THR 685 HB 0.09 0.05 0.14 -0.04 4.32 4.56 3hp6A1 THR 685 HG23 0.15 -0.01 -0.07 -0.04 1.22 1.24 3hp6A1 ALA 686 H 0.08 0.50 -0.19 -0.55 8.40 8.25 3hp6A1 ALA 686 HA 0.16 -0.02 0.41 -0.75 4.34 4.13 3hp6A1 ALA 686 HB3 0.13 0.05 0.02 -0.04 1.41 1.57 3hp6A1 MET 687 H 0.06 0.54 -0.22 -0.55 8.47 8.30 3hp6A1 MET 687 HA 0.07 -0.04 0.27 -0.75 4.52 4.07 3hp6A1 MET 687 HB2 0.01 0.14 0.10 -0.04 2.15 2.35 3hp6A1 MET 687 HB3 0.01 0.07 0.01 -0.04 2.03 2.07 3hp6A1 MET 687 HG2 0.02 -0.01 -0.29 -0.04 2.63 2.30 3hp6A1 MET 687 HG3 0.02 0.26 0.00 -0.04 2.56 2.80 3hp6A1 MET 687 HE3 -0.00 -0.02 -0.23 -0.04 2.10 1.81 3hp6A1 ASP 688 H 0.01 0.41 -0.26 -0.55 8.40 8.00 3hp6A1 ASP 688 HA -0.04 0.07 0.60 -0.75 4.63 4.51 3hp6A1 ASP 688 HB2 -0.04 0.04 0.16 -0.04 2.71 2.83 3hp6A1 ASP 688 HB3 -0.12 0.00 -0.02 -0.04 2.70 2.53 3hp6A1 ILE 689 H -0.09 0.60 0.03 -0.55 8.25 8.24 3hp6A1 ILE 689 HA -0.05 0.13 0.54 -0.75 4.18 4.04 3hp6A1 ILE 689 HB -0.72 -0.08 0.06 -0.04 1.89 1.12 3hp6A1 ILE 689 HG12 -0.33 0.26 0.02 -0.04 1.49 1.40 3hp6A1 ILE 689 HG13 -1.13 0.04 -0.06 -0.04 1.21 0.02 3hp6A1 ILE 689 HG23 -0.09 0.01 -0.02 -0.04 0.93 0.80 3hp6A1 ILE 689 HD13 -1.12 -0.04 -0.11 -0.04 0.88 -0.43 3hp6A1 PHE 690 H 0.03 0.59 -0.03 -0.55 8.34 8.38 3hp6A1 PHE 690 HA 0.15 0.11 0.73 -0.75 4.62 4.86 3hp6A1 PHE 690 HB2 -0.01 0.13 -0.00 -0.04 3.15 3.23 3hp6A1 PHE 690 HB3 0.04 -0.05 0.05 -0.04 3.06 3.06 3hp6A1 PHE 690 HD2 0.04 0.09 0.04 -0.04 7.28 7.41 3hp6A1 PHE 690 HE2 0.07 0.04 0.00 -0.04 7.38 7.46 3hp6A1 PHE 690 HZ 0.00 -0.03 -0.04 -0.04 7.32 7.21 3hp6A1 GLN 691 H 0.07 0.14 -0.66 -0.55 8.47 7.47 3hp6A1 GLN 691 HA 0.04 0.19 0.32 -0.75 4.36 4.15 3hp6A1 GLN 691 HB2 0.07 0.00 -0.22 -0.04 2.15 1.96 3hp6A1 GLN 691 HB3 0.04 -0.07 0.18 -0.04 2.02 2.12 3hp6A1 GLN 691 HG2 0.01 -0.01 0.06 -0.04 2.40 2.42 3hp6A1 GLN 691 HG3 0.03 0.18 -0.04 -0.04 2.39 2.53 3hp6A1 GLN 691 HE21 0.02 -0.07 -0.00 -0.04 6.97 6.87 3hp6A1 GLN 691 HE22 0.01 0.04 0.02 -0.04 7.69 7.72 3hp6A1 VAL 692 H 0.08 0.28 -0.06 -0.55 8.24 7.99 3hp6A1 VAL 692 HA 0.03 0.15 0.88 -0.75 4.13 4.44 3hp6A1 VAL 692 HB 0.01 -0.10 0.04 -0.04 2.12 2.03 3hp6A1 VAL 692 HG13 0.05 0.09 -0.17 -0.04 0.97 0.90 3hp6A1 VAL 692 HG23 0.06 -0.01 -0.26 -0.04 0.95 0.70 3hp6A1 SER 693 H 0.01 0.08 0.11 -0.55 8.46 8.12 3hp6A1 SER 693 HA 0.00 0.19 0.66 -0.75 4.49 4.59 3hp6A1 SER 693 HB2 -0.00 0.00 0.15 -0.04 3.95 4.06 3hp6A1 SER 693 HB3 0.00 0.09 0.12 -0.04 3.93 4.09 3hp6A1 GLU 694 H -0.00 0.16 0.14 -0.55 8.60 8.34 3hp6A1 GLU 694 HA -0.00 0.13 0.27 -0.75 4.29 3.93 3hp6A1 GLU 694 HB2 -0.01 0.05 0.10 -0.04 2.09 2.19 3hp6A1 GLU 694 HB3 -0.01 -0.03 0.13 -0.04 1.99 2.04 3hp6A1 GLU 694 HG2 -0.00 0.03 -0.22 -0.04 2.34 2.11 3hp6A1 GLU 694 HG3 -0.00 -0.02 -0.01 -0.04 2.34 2.28 3hp6A1 ASP 695 H -0.01 0.07 -0.06 -0.55 8.40 7.84 3hp6A1 ASP 695 HA -0.01 0.14 0.39 -0.75 4.63 4.40 3hp6A1 ASP 695 HB2 -0.01 -0.05 0.05 -0.04 2.71 2.66 3hp6A1 ASP 695 HB3 -0.01 0.06 0.01 -0.04 2.70 2.71 3hp6A1 GLU 696 H -0.01 0.12 -0.56 -0.55 8.60 7.60 3hp6A1 GLU 696 HA -0.03 0.09 0.41 -0.75 4.29 4.01 3hp6A1 GLU 696 HB2 -0.02 0.11 -0.10 -0.04 2.09 2.03 3hp6A1 GLU 696 HB3 -0.03 -0.01 0.05 -0.04 1.99 1.96 3hp6A1 GLU 696 HG2 -0.01 -0.04 -0.09 -0.04 2.34 2.16 3hp6A1 GLU 696 HG3 -0.01 -0.06 -0.05 -0.04 2.34 2.18 3hp6A1 VAL 697 H -0.03 0.32 -0.36 -0.55 8.24 7.62 3hp6A1 VAL 697 HA -0.12 -0.04 0.43 -0.75 4.13 3.65 3hp6A1 VAL 697 HB -0.02 0.14 0.12 -0.04 2.12 2.32 3hp6A1 VAL 697 HG13 -0.02 -0.04 -0.22 -0.04 0.97 0.66 3hp6A1 VAL 697 HG23 0.01 0.03 -0.08 -0.04 0.95 0.86 3hp6A1 THR 698 H -0.15 0.08 0.23 -0.55 8.28 7.88 3hp6A1 THR 698 HA -0.05 0.29 0.68 -0.75 4.39 4.55 3hp6A1 THR 698 HB -0.06 0.02 0.17 -0.04 4.32 4.42 3hp6A1 THR 698 HG23 -0.09 0.08 0.07 -0.04 1.22 1.24 3hp6A1 PRO 699 HA -0.01 0.09 0.50 -0.51 4.44 4.51 3hp6A1 PRO 699 HB2 -0.02 0.02 0.04 -0.04 2.28 2.27 3hp6A1 PRO 699 HB3 -0.01 0.07 0.09 -0.04 2.02 2.13 3hp6A1 PRO 699 HG2 -0.02 0.07 0.09 -0.04 2.03 2.14 3hp6A1 PRO 699 HG3 -0.02 0.09 0.09 -0.04 2.03 2.16 3hp6A1 PRO 699 HD2 -0.03 0.09 0.24 -0.04 3.68 3.94 3hp6A1 PRO 699 HD3 -0.03 0.27 0.20 -0.04 3.65 4.05 3hp6A1 ASN 700 H -0.03 0.16 -0.20 -0.55 8.53 7.90 3hp6A1 ASN 700 HA -0.00 0.11 0.55 -0.75 4.76 4.66 3hp6A1 ASN 700 HB2 -0.01 0.06 0.07 -0.04 2.88 2.96 3hp6A1 ASN 700 HB3 -0.04 -0.02 0.08 -0.04 2.79 2.77 3hp6A1 ASN 700 HD21 0.01 0.06 -0.11 -0.04 7.03 6.94 3hp6A1 ASN 700 HD22 -0.07 -0.04 -0.08 -0.04 7.74 7.50 3hp6A1 MET 701 H -0.09 0.10 -0.21 -0.55 8.47 7.72 3hp6A1 MET 701 HA -0.05 0.09 0.44 -0.75 4.52 4.24 3hp6A1 MET 701 HB2 -0.21 0.00 0.20 -0.04 2.15 2.09 3hp6A1 MET 701 HB3 -0.31 0.04 -0.01 -0.04 2.03 1.71 3hp6A1 MET 701 HG2 -1.88 0.06 0.03 -0.04 2.63 0.80 3hp6A1 MET 701 HG3 -0.45 -0.05 0.02 -0.04 2.56 2.05 3hp6A1 MET 701 HE3 -0.46 0.03 -0.12 -0.04 2.10 1.50 3hp6A1 ARG 702 H -0.01 0.46 -0.25 -0.55 8.46 8.11 3hp6A1 ARG 702 HA 0.06 0.08 0.41 -0.75 4.34 4.15 3hp6A1 ARG 702 HB2 0.02 0.09 -0.00 -0.04 1.90 1.97 3hp6A1 ARG 702 HB3 0.01 0.14 0.03 -0.04 1.80 1.95 3hp6A1 ARG 702 HG2 0.08 -0.07 -0.14 -0.04 1.67 1.50 3hp6A1 ARG 702 HG3 0.09 -0.07 -0.22 -0.04 1.67 1.43 3hp6A1 ARG 702 HD2 0.04 0.06 -0.06 -0.04 3.22 3.22 3hp6A1 ARG 702 HD3 0.04 0.06 -0.06 -0.04 3.22 3.23 3hp6A1 ARG 703 H 0.01 0.39 -0.23 -0.55 8.46 8.08 3hp6A1 ARG 703 HA -0.03 0.01 0.39 -0.75 4.34 3.96 3hp6A1 ARG 703 HB2 0.01 0.11 0.21 -0.04 1.90 2.19 3hp6A1 ARG 703 HB3 0.01 0.00 -0.01 -0.04 1.80 1.76 3hp6A1 ARG 703 HG2 -0.02 -0.05 0.04 -0.04 1.67 1.61 3hp6A1 ARG 703 HG3 -0.01 0.11 0.08 -0.04 1.67 1.81 3hp6A1 ARG 703 HD2 0.00 -0.01 -0.00 -0.04 3.22 3.17 3hp6A1 ARG 703 HD3 -0.01 -0.00 -0.00 -0.04 3.22 3.16 3hp6A1 GLN 704 H 0.06 0.54 -0.13 -0.55 8.47 8.40 3hp6A1 GLN 704 HA 0.06 0.05 0.47 -0.75 4.36 4.19 3hp6A1 GLN 704 HB2 0.23 0.08 0.11 -0.04 2.15 2.52 3hp6A1 GLN 704 HB3 0.14 -0.02 -0.10 -0.04 2.02 1.99 3hp6A1 GLN 704 HG2 0.17 -0.00 0.01 -0.04 2.40 2.52 3hp6A1 GLN 704 HG3 0.11 0.02 0.03 -0.04 2.39 2.51 3hp6A1 GLN 704 HE21 0.43 -0.02 -0.06 -0.04 6.97 7.28 3hp6A1 GLN 704 HE22 0.39 -0.02 -0.07 -0.04 7.69 7.95 3hp6A1 ALA 705 H 0.07 0.44 -0.33 -0.55 8.40 8.04 3hp6A1 ALA 705 HA -0.07 0.03 0.51 -0.75 4.34 4.05 3hp6A1 ALA 705 HB3 0.08 0.01 0.14 -0.04 1.41 1.60 3hp6A1 LYS 706 H -0.03 0.58 -0.15 -0.55 8.42 8.27 3hp6A1 LYS 706 HA -0.10 -0.03 0.48 -0.75 4.32 3.92 3hp6A1 LYS 706 HB2 -0.41 0.02 0.10 -0.04 1.87 1.53 3hp6A1 LYS 706 HB3 -0.11 0.19 0.12 -0.04 1.79 1.95 3hp6A1 LYS 706 HG2 0.09 -0.02 -0.10 -0.04 1.46 1.39 3hp6A1 LYS 706 HG3 -0.77 -0.08 0.03 -0.04 1.46 0.61 3hp6A1 LYS 706 HD2 -0.08 0.05 -0.03 -0.04 1.69 1.59 3hp6A1 LYS 706 HD3 -0.01 -0.01 -0.04 -0.04 1.68 1.57 3hp6A1 LYS 706 HE2 -0.29 -0.06 -0.01 -0.04 2.99 2.59 3hp6A1 LYS 706 HE3 -0.20 0.01 -0.04 -0.04 2.99 2.73 3hp6A1 ALA 707 H -0.00 0.43 -0.27 -0.55 8.40 8.01 3hp6A1 ALA 707 HA 0.07 0.03 0.36 -0.75 4.34 4.05 3hp6A1 ALA 707 HB3 0.03 0.05 0.02 -0.04 1.41 1.47 3hp6A1 VAL 708 H -0.05 0.45 -0.25 -0.55 8.24 7.84 3hp6A1 VAL 708 HA -0.13 -0.01 0.49 -0.75 4.13 3.73 3hp6A1 VAL 708 HB -0.12 0.12 0.19 -0.04 2.12 2.28 3hp6A1 VAL 708 HG13 -0.26 -0.01 -0.14 -0.04 0.97 0.51 3hp6A1 VAL 708 HG23 -0.16 0.06 0.00 -0.04 0.95 0.81 3hp6A1 ASN 709 H -0.08 0.67 -0.13 -0.55 8.53 8.45 3hp6A1 ASN 709 HA -0.25 -0.01 0.32 -0.75 4.76 4.07 3hp6A1 ASN 709 HB2 -0.04 0.09 0.19 -0.04 2.88 3.07 3hp6A1 ASN 709 HB3 -0.36 -0.07 -0.03 -0.04 2.79 2.29 3hp6A1 ASN 709 HD21 0.03 0.11 -0.18 -0.04 7.03 6.95 3hp6A1 ASN 709 HD22 0.47 -0.09 -0.16 -0.04 7.74 7.92 3hp6A1 TYR 710 H 0.00 0.52 -0.27 -0.55 8.29 8.00 3hp6A1 TYR 710 HA -0.05 0.15 0.82 -0.75 4.56 4.73 3hp6A1 TYR 710 HB2 0.04 0.08 0.05 -0.04 3.06 3.19 3hp6A1 TYR 710 HB3 0.13 -0.03 0.13 -0.04 2.98 3.17 3hp6A1 TYR 710 HD2 0.12 0.09 -0.02 -0.04 7.15 7.30 3hp6A1 TYR 710 HE2 0.15 -0.07 -0.04 -0.04 6.85 6.84 3hp6A1 GLY 711 H -0.10 0.32 -0.54 -0.55 8.43 7.55 3hp6A1 GLY 711 HA2 0.10 0.17 0.88 -0.51 4.01 4.65 3hp6A1 GLY 711 HA3 -0.01 0.08 0.27 -0.51 4.01 3.85 3hp6A1 ILE 712 H -0.29 0.63 0.15 -0.55 8.25 8.19 3hp6A1 ILE 712 HA -0.13 0.06 0.20 -0.75 4.18 3.55 3hp6A1 ILE 712 HB -0.84 0.03 0.12 -0.04 1.89 1.17 3hp6A1 ILE 712 HG12 -0.27 -0.01 -0.03 -0.04 1.49 1.14 3hp6A1 ILE 712 HG13 -0.36 0.06 0.10 -0.04 1.21 0.97 3hp6A1 ILE 712 HG23 -0.47 0.01 -0.12 -0.04 0.93 0.31 3hp6A1 ILE 712 HD13 -0.61 -0.00 -0.06 -0.04 0.88 0.17 3hp6A1 VAL 713 H -0.30 0.18 -0.11 -0.55 8.24 7.46 3hp6A1 VAL 713 HA 0.08 0.07 0.26 -0.75 4.13 3.80 3hp6A1 VAL 713 HB -0.11 -0.04 0.08 -0.04 2.12 2.00 3hp6A1 VAL 713 HG13 -0.96 0.02 -0.11 -0.04 0.97 -0.12 3hp6A1 VAL 713 HG23 0.08 0.02 0.01 -0.04 0.95 1.02 3hp6A1 TYR 714 H -0.11 0.13 -0.67 -0.55 8.29 7.09 3hp6A1 TYR 714 HA 0.08 0.20 0.69 -0.75 4.56 4.77 3hp6A1 TYR 714 HB2 0.06 0.07 -0.03 -0.04 3.06 3.12 3hp6A1 TYR 714 HB3 0.06 -0.02 0.11 -0.04 2.98 3.09 3hp6A1 TYR 714 HD2 0.11 0.20 -0.24 -0.04 7.15 7.18 3hp6A1 TYR 714 HE2 0.18 0.03 -0.03 -0.04 6.85 6.99 3hp6A1 GLY 715 H 0.09 0.54 -0.24 -0.55 8.43 8.26 3hp6A1 GLY 715 HA2 0.08 0.04 0.23 -0.51 4.01 3.85 3hp6A1 GLY 715 HA3 0.06 0.06 0.36 -0.51 4.01 3.99 3hp6A1 ILE 716 H 0.05 0.46 -0.04 -0.55 8.25 8.17 3hp6A1 ILE 716 HA 0.04 -0.03 0.35 -0.75 4.18 3.79 3hp6A1 ILE 716 HB 0.04 0.11 -0.01 -0.04 1.89 1.98 3hp6A1 ILE 716 HG12 0.03 -0.04 -0.02 -0.04 1.49 1.43 3hp6A1 ILE 716 HG13 0.05 -0.01 0.01 -0.04 1.21 1.21 3hp6A1 ILE 716 HG23 -0.03 -0.00 -0.34 -0.04 0.93 0.52 3hp6A1 ILE 716 HD13 0.03 0.02 -0.18 -0.04 0.88 0.70 3hp6A1 SER 717 H 0.06 -0.01 0.18 -0.55 8.46 8.14 3hp6A1 SER 717 HA 0.07 0.32 0.80 -0.75 4.49 4.93 3hp6A1 SER 717 HB2 0.10 -0.07 0.19 -0.04 3.95 4.14 3hp6A1 SER 717 HB3 0.08 0.22 0.12 -0.04 3.93 4.30 3hp6A1 ASP 718 H 0.07 0.23 0.13 -0.55 8.40 8.29 3hp6A1 ASP 718 HA 0.02 0.15 0.39 -0.75 4.63 4.44 3hp6A1 ASP 718 HB2 0.01 0.05 0.02 -0.04 2.71 2.75 3hp6A1 ASP 718 HB3 0.03 0.10 0.05 -0.04 2.70 2.84 3hp6A1 TYR 719 H 0.18 0.11 -0.06 -0.55 8.29 7.97 3hp6A1 TYR 719 HA 0.01 0.09 0.44 -0.75 4.56 4.34 3hp6A1 TYR 719 HB2 0.02 0.05 0.10 -0.04 3.06 3.19 3hp6A1 TYR 719 HB3 0.02 -0.05 0.08 -0.04 2.98 2.98 3hp6A1 TYR 719 HD2 0.02 -0.02 -0.09 -0.04 7.15 7.01 3hp6A1 TYR 719 HE2 0.02 0.03 -0.03 -0.04 6.85 6.83 3hp6A1 GLY 720 H 0.17 0.03 -0.25 -0.55 8.43 7.84 3hp6A1 GLY 720 HA2 0.02 0.06 0.34 -0.51 4.01 3.93 3hp6A1 GLY 720 HA3 0.07 0.05 0.27 -0.51 4.01 3.89 3hp6A1 LEU 721 H 0.02 0.57 -0.20 -0.55 8.37 8.21 3hp6A1 LEU 721 HA 0.01 0.04 0.36 -0.75 4.35 4.00 3hp6A1 LEU 721 HB2 0.01 0.10 0.02 -0.04 1.64 1.73 3hp6A1 LEU 721 HB3 0.01 0.03 0.03 -0.04 1.64 1.67 3hp6A1 LEU 721 HG 0.09 -0.02 -0.11 -0.04 1.64 1.55 3hp6A1 LEU 721 HD13 0.02 -0.00 -0.10 -0.04 0.93 0.80 3hp6A1 LEU 721 HD23 0.07 0.00 -0.05 -0.04 0.89 0.87 3hp6A1 ALA 722 H -0.07 0.52 -0.30 -0.55 8.40 8.01 3hp6A1 ALA 722 HA -0.05 -0.01 0.29 -0.75 4.34 3.81 3hp6A1 ALA 722 HB3 -0.12 0.03 0.03 -0.04 1.41 1.31 3hp6A1 GLN 723 H -0.25 0.60 -0.04 -0.55 8.47 8.24 3hp6A1 GLN 723 HA -0.13 0.06 0.47 -0.75 4.36 4.00 3hp6A1 GLN 723 HB2 -0.19 0.04 0.11 -0.04 2.15 2.07 3hp6A1 GLN 723 HB3 -0.11 -0.06 -0.02 -0.04 2.02 1.78 3hp6A1 GLN 723 HG2 -0.94 0.12 0.06 -0.04 2.40 1.60 3hp6A1 GLN 723 HG3 -0.74 -0.07 -0.04 -0.04 2.39 1.49 3hp6A1 GLN 723 HE21 -0.10 0.03 -0.03 -0.04 6.97 6.83 3hp6A1 GLN 723 HE22 -0.35 -0.04 -0.06 -0.04 7.69 7.20 3hp6A1 ASN 724 H -0.04 0.62 -0.12 -0.55 8.53 8.44 3hp6A1 ASN 724 HA 0.01 -0.02 0.32 -0.75 4.76 4.31 3hp6A1 ASN 724 HB2 0.01 0.06 0.04 -0.04 2.88 2.95 3hp6A1 ASN 724 HB3 0.02 -0.05 -0.01 -0.04 2.79 2.72 3hp6A1 ASN 724 HD21 0.04 -0.07 -0.08 -0.04 7.03 6.88 3hp6A1 ASN 724 HD22 0.03 0.01 -0.12 -0.04 7.74 7.63 3hp6A1 LEU 725 H 0.00 0.37 -0.30 -0.55 8.37 7.90 3hp6A1 LEU 725 HA 0.04 0.16 0.78 -0.75 4.35 4.57 3hp6A1 LEU 725 HB2 0.06 0.08 -0.01 -0.04 1.64 1.73 3hp6A1 LEU 725 HB3 0.09 -0.05 0.05 -0.04 1.64 1.69 3hp6A1 LEU 725 HG 0.05 -0.01 -0.10 -0.04 1.64 1.54 3hp6A1 LEU 725 HD13 0.13 -0.01 -0.04 -0.04 0.93 0.97 3hp6A1 LEU 725 HD23 0.05 0.00 -0.08 -0.04 0.89 0.83 3hp6A1 ASN 726 H -0.00 0.21 -0.42 -0.55 8.53 7.77 3hp6A1 ASN 726 HA -0.01 0.06 0.35 -0.75 4.76 4.41 3hp6A1 ASN 726 HB2 0.02 -0.00 -0.09 -0.04 2.88 2.76 3hp6A1 ASN 726 HB3 0.03 0.08 0.09 -0.04 2.79 2.94 3hp6A1 ASN 726 HD21 0.04 -0.01 0.00 -0.04 7.03 7.02 3hp6A1 ASN 726 HD22 0.03 -0.00 -0.02 -0.04 7.74 7.71 3hp6A1 ILE 727 H -0.01 0.41 0.05 -0.55 8.25 8.14 3hp6A1 ILE 727 HA 0.01 0.18 0.78 -0.75 4.18 4.39 3hp6A1 ILE 727 HB -0.01 -0.12 0.07 -0.04 1.89 1.79 3hp6A1 ILE 727 HG12 0.01 0.04 -0.14 -0.04 1.49 1.36 3hp6A1 ILE 727 HG13 -0.07 0.04 -0.44 -0.04 1.21 0.71 3hp6A1 ILE 727 HG23 0.10 0.05 -0.28 -0.04 0.93 0.75 3hp6A1 ILE 727 HD13 -0.04 -0.02 -0.18 -0.04 0.88 0.60 3hp6A1 SER 728 H -0.04 0.14 0.11 -0.55 8.46 8.12 3hp6A1 SER 728 HA -0.03 0.13 0.45 -0.75 4.49 4.28 3hp6A1 SER 728 HB2 -0.03 0.06 0.12 -0.04 3.95 4.06 3hp6A1 SER 728 HB3 -0.04 0.13 0.15 -0.04 3.93 4.13 3hp6A1 ARG 729 H -0.03 0.21 0.19 -0.55 8.46 8.28 3hp6A1 ARG 729 HA -0.05 0.14 0.46 -0.75 4.34 4.13 3hp6A1 ARG 729 HB2 0.00 0.09 0.15 -0.04 1.90 2.10 3hp6A1 ARG 729 HB3 0.01 0.02 0.07 -0.04 1.80 1.86 3hp6A1 ARG 729 HG2 0.04 -0.04 -0.11 -0.04 1.67 1.52 3hp6A1 ARG 729 HG3 0.02 0.05 -0.17 -0.04 1.67 1.53 3hp6A1 ARG 729 HD2 0.20 0.04 0.01 -0.04 3.22 3.43 3hp6A1 ARG 729 HD3 0.10 0.06 -0.00 -0.04 3.22 3.34 3hp6A1 LYS 730 H -0.04 0.12 -0.07 -0.55 8.42 7.88 3hp6A1 LYS 730 HA -0.04 0.09 0.38 -0.75 4.32 3.99 3hp6A1 LYS 730 HB2 -0.03 -0.00 0.10 -0.04 1.87 1.90 3hp6A1 LYS 730 HB3 -0.05 0.03 -0.01 -0.04 1.79 1.72 3hp6A1 LYS 730 HG2 -0.03 0.03 -0.03 -0.04 1.46 1.38 3hp6A1 LYS 730 HG3 -0.02 0.01 0.04 -0.04 1.46 1.45 3hp6A1 LYS 730 HD2 -0.02 -0.01 0.00 -0.04 1.69 1.63 3hp6A1 LYS 730 HD3 -0.02 0.03 -0.03 -0.04 1.68 1.62 3hp6A1 LYS 730 HE2 -0.01 0.03 -0.01 -0.04 2.99 2.97 3hp6A1 LYS 730 HE3 -0.01 0.02 -0.01 -0.04 2.99 2.94 3hp6A1 GLU 731 H -0.13 0.06 -0.35 -0.55 8.60 7.63 3hp6A1 GLU 731 HA -0.25 0.11 0.45 -0.75 4.29 3.85 3hp6A1 GLU 731 HB2 -0.25 0.03 0.06 -0.04 2.09 1.89 3hp6A1 GLU 731 HB3 -0.58 0.07 -0.05 -0.04 1.99 1.39 3hp6A1 GLU 731 HG2 -0.14 0.09 0.01 -0.04 2.34 2.26 3hp6A1 GLU 731 HG3 -0.11 -0.07 -0.02 -0.04 2.34 2.09 3hp6A1 ALA 732 H -0.22 0.49 -0.17 -0.55 8.40 7.97 3hp6A1 ALA 732 HA -0.26 0.05 0.42 -0.75 4.34 3.79 3hp6A1 ALA 732 HB3 -0.07 0.02 0.06 -0.04 1.41 1.38 3hp6A1 ALA 733 H -0.08 0.63 -0.08 -0.55 8.40 8.32 3hp6A1 ALA 733 HA 0.00 -0.03 0.46 -0.75 4.34 4.02 3hp6A1 ALA 733 HB3 -0.00 0.02 0.09 -0.04 1.41 1.48 3hp6A1 GLU 734 H -0.11 0.36 -0.26 -0.55 8.60 8.04 3hp6A1 GLU 734 HA 0.01 0.01 0.56 -0.75 4.29 4.11 3hp6A1 GLU 734 HB2 -0.15 0.12 0.16 -0.04 2.09 2.18 3hp6A1 GLU 734 HB3 -0.01 0.01 0.04 -0.04 1.99 1.99 3hp6A1 GLU 734 HG2 -0.02 -0.04 0.03 -0.04 2.34 2.27 3hp6A1 GLU 734 HG3 -0.07 0.24 0.11 -0.04 2.34 2.58 3hp6A1 PHE 735 H -0.14 0.56 -0.07 -0.55 8.34 8.14 3hp6A1 PHE 735 HA -0.12 0.08 0.47 -0.75 4.62 4.31 3hp6A1 PHE 735 HB2 -0.11 0.17 0.20 -0.04 3.15 3.36 3hp6A1 PHE 735 HB3 -0.14 -0.09 -0.03 -0.04 3.06 2.76 3hp6A1 PHE 735 HD2 -0.18 0.02 -0.03 -0.04 7.28 7.06 3hp6A1 PHE 735 HE2 -0.26 0.05 -0.11 -0.04 7.38 7.02 3hp6A1 PHE 735 HZ -0.27 -0.03 -0.09 -0.04 7.32 6.88 3hp6A1 ILE 736 H 0.05 0.47 -0.21 -0.55 8.25 8.01 3hp6A1 ILE 736 HA -0.17 -0.01 0.34 -0.75 4.18 3.58 3hp6A1 ILE 736 HB 0.02 0.07 0.13 -0.04 1.89 2.07 3hp6A1 ILE 736 HG12 -0.13 -0.02 -0.07 -0.04 1.49 1.23 3hp6A1 ILE 736 HG13 -0.02 0.08 -0.02 -0.04 1.21 1.21 3hp6A1 ILE 736 HG23 -0.04 -0.01 -0.10 -0.04 0.93 0.74 3hp6A1 ILE 736 HD13 0.01 -0.01 -0.27 -0.04 0.88 0.57 3hp6A1 GLU 737 H 0.06 0.50 -0.08 -0.55 8.60 8.54 3hp6A1 GLU 737 HA 0.20 0.00 0.50 -0.75 4.29 4.24 3hp6A1 GLU 737 HB2 0.06 0.10 0.20 -0.04 2.09 2.41 3hp6A1 GLU 737 HB3 0.08 -0.03 0.02 -0.04 1.99 2.02 3hp6A1 GLU 737 HG2 0.11 -0.04 0.05 -0.04 2.34 2.42 3hp6A1 GLU 737 HG3 0.08 0.11 0.10 -0.04 2.34 2.59 3hp6A1 ARG 738 H 0.07 0.66 -0.10 -0.55 8.46 8.54 3hp6A1 ARG 738 HA 0.03 -0.01 0.38 -0.75 4.34 3.99 3hp6A1 ARG 738 HB2 0.06 0.07 0.13 -0.04 1.90 2.12 3hp6A1 ARG 738 HB3 0.01 0.06 -0.03 -0.04 1.80 1.80 3hp6A1 ARG 738 HG2 0.03 -0.09 0.05 -0.04 1.67 1.62 3hp6A1 ARG 738 HG3 0.06 0.13 0.11 -0.04 1.67 1.93 3hp6A1 ARG 738 HD2 0.09 0.09 0.08 -0.04 3.22 3.44 3hp6A1 ARG 738 HD3 0.04 0.11 0.07 -0.04 3.22 3.39 3hp6A1 TYR 739 H 0.09 0.60 -0.16 -0.55 8.29 8.27 3hp6A1 TYR 739 HA 0.03 0.01 0.47 -0.75 4.56 4.33 3hp6A1 TYR 739 HB2 -0.12 0.04 0.07 -0.04 3.06 3.01 3hp6A1 TYR 739 HB3 -0.34 0.13 0.13 -0.04 2.98 2.85 3hp6A1 TYR 739 HD2 -0.21 0.03 -0.14 -0.04 7.15 6.80 3hp6A1 TYR 739 HE2 -0.14 -0.02 -0.06 -0.04 6.85 6.59 3hp6A1 PHE 740 H 0.11 0.50 -0.16 -0.55 8.34 8.24 3hp6A1 PHE 740 HA 0.13 0.01 0.21 -0.75 4.62 4.21 3hp6A1 PHE 740 HB2 0.10 0.17 0.16 -0.04 3.15 3.53 3hp6A1 PHE 740 HB3 0.08 -0.04 -0.01 -0.04 3.06 3.04 3hp6A1 PHE 740 HD2 0.16 -0.02 -0.04 -0.04 7.28 7.34 3hp6A1 PHE 740 HE2 0.12 -0.02 -0.11 -0.04 7.38 7.33 3hp6A1 PHE 740 HZ 0.06 0.06 -0.06 -0.04 7.32 7.34 3hp6A1 GLU 741 H 0.12 0.44 -0.23 -0.55 8.60 8.38 3hp6A1 GLU 741 HA 0.03 0.04 0.57 -0.75 4.29 4.18 3hp6A1 GLU 741 HB2 0.01 0.08 0.12 -0.04 2.09 2.25 3hp6A1 GLU 741 HB3 -0.00 -0.04 0.06 -0.04 1.99 1.96 3hp6A1 GLU 741 HG2 0.11 0.02 0.01 -0.04 2.34 2.44 3hp6A1 GLU 741 HG3 0.05 -0.04 -0.03 -0.04 2.34 2.28 3hp6A1 SER 742 H -0.13 0.46 -0.26 -0.55 8.46 7.97 3hp6A1 SER 742 HA -0.30 0.05 0.65 -0.75 4.49 4.14 3hp6A1 SER 742 HB2 -0.33 -0.00 0.11 -0.04 3.95 3.68 3hp6A1 SER 742 HB3 -0.50 0.13 0.21 -0.04 3.93 3.72 3hp6A1 PHE 743 H -0.15 0.56 -0.15 -0.55 8.34 8.05 3hp6A1 PHE 743 HA -0.12 0.07 0.95 -0.75 4.62 4.77 3hp6A1 PHE 743 HB2 -0.49 0.05 0.17 -0.04 3.15 2.83 3hp6A1 PHE 743 HB3 -0.18 -0.16 0.14 -0.04 3.06 2.82 3hp6A1 PHE 743 HD2 -0.84 -0.05 -0.00 -0.04 7.28 6.34 3hp6A1 PHE 743 HE2 -0.24 -0.00 -0.13 -0.04 7.38 6.97 3hp6A1 PHE 743 HZ -0.17 -0.02 -0.12 -0.04 7.32 6.97 3hp6A1 PRO 744 HA 0.10 0.15 0.49 -0.51 4.44 4.67 3hp6A1 PRO 744 HB2 0.02 -0.01 0.04 -0.04 2.28 2.29 3hp6A1 PRO 744 HB3 0.02 0.13 0.15 -0.04 2.02 2.28 3hp6A1 PRO 744 HG2 0.01 -0.08 0.09 -0.04 2.03 2.01 3hp6A1 PRO 744 HG3 -0.01 0.11 0.07 -0.04 2.03 2.16 3hp6A1 PRO 744 HD2 -0.03 -0.01 0.04 -0.04 3.68 3.65 3hp6A1 PRO 744 HD3 -0.05 0.38 -0.43 -0.04 3.65 3.51 3hp6A1 GLY 745 H 0.07 0.07 -0.17 -0.55 8.43 7.86 3hp6A1 GLY 745 HA2 0.05 0.15 0.44 -0.51 4.01 4.14 3hp6A1 GLY 745 HA3 0.06 0.03 0.19 -0.51 4.01 3.78 3hp6A1 VAL 746 H 0.15 0.33 -0.32 -0.55 8.24 7.86 3hp6A1 VAL 746 HA 0.17 0.11 0.53 -0.75 4.13 4.18 3hp6A1 VAL 746 HB 0.28 0.21 0.14 -0.04 2.12 2.72 3hp6A1 VAL 746 HG13 0.31 0.00 -0.06 -0.04 0.97 1.18 3hp6A1 VAL 746 HG23 0.00 -0.03 -0.01 -0.04 0.95 0.88 3hp6A1 LYS 747 H 0.19 0.28 -0.03 -0.55 8.42 8.30 3hp6A1 LYS 747 HA -0.16 0.04 0.46 -0.75 4.32 3.91 3hp6A1 LYS 747 HB2 -0.53 -0.03 0.13 -0.04 1.87 1.40 3hp6A1 LYS 747 HB3 -0.07 0.19 0.22 -0.04 1.79 2.09 3hp6A1 LYS 747 HG2 -0.22 0.01 -0.02 -0.04 1.46 1.19 3hp6A1 LYS 747 HG3 -0.19 -0.00 -0.32 -0.04 1.46 0.90 3hp6A1 LYS 747 HD2 -0.36 -0.02 0.01 -0.04 1.69 1.28 3hp6A1 LYS 747 HD3 -1.14 -0.01 0.06 -0.04 1.68 0.54 3hp6A1 LYS 747 HE2 -0.82 -0.01 -0.00 -0.04 2.99 2.12 3hp6A1 LYS 747 HE3 -0.26 0.02 -0.01 -0.04 2.99 2.70 3hp6A1 ARG 748 H 0.04 0.36 -0.25 -0.55 8.46 8.05 3hp6A1 ARG 748 HA -0.02 0.03 0.51 -0.75 4.34 4.10 3hp6A1 ARG 748 HB2 0.04 0.10 0.14 -0.04 1.90 2.15 3hp6A1 ARG 748 HB3 0.02 -0.00 0.05 -0.04 1.80 1.83 3hp6A1 ARG 748 HG2 -0.02 -0.04 0.02 -0.04 1.67 1.59 3hp6A1 ARG 748 HG3 -0.00 0.12 0.06 -0.04 1.67 1.81 3hp6A1 ARG 748 HD2 0.01 0.03 0.02 -0.04 3.22 3.23 3hp6A1 ARG 748 HD3 -0.01 -0.03 0.01 -0.04 3.22 3.15 3hp6A1 TYR 749 H 0.18 0.43 -0.11 -0.55 8.29 8.23 3hp6A1 TYR 749 HA 0.01 0.05 0.58 -0.75 4.56 4.45 3hp6A1 TYR 749 HB2 0.03 0.04 0.17 -0.04 3.06 3.26 3hp6A1 TYR 749 HB3 0.05 0.06 0.27 -0.04 2.98 3.31 3hp6A1 TYR 749 HD2 0.04 0.04 -0.02 -0.04 7.15 7.17 3hp6A1 TYR 749 HE2 0.07 0.06 0.03 -0.04 6.85 6.97 3hp6A1 MET 750 H 0.11 0.49 -0.12 -0.55 8.47 8.41 3hp6A1 MET 750 HA -0.23 0.06 0.41 -0.75 4.52 4.00 3hp6A1 MET 750 HB2 -0.01 0.09 0.15 -0.04 2.15 2.34 3hp6A1 MET 750 HB3 0.01 -0.03 0.04 -0.04 2.03 2.01 3hp6A1 MET 750 HG2 0.18 0.15 0.13 -0.04 2.63 3.05 3hp6A1 MET 750 HG3 0.25 0.19 0.16 -0.04 2.56 3.11 3hp6A1 MET 750 HE3 0.16 0.03 -0.02 -0.04 2.10 2.23 3hp6A1 GLU 751 H -0.07 0.41 -0.14 -0.55 8.60 8.25 3hp6A1 GLU 751 HA -0.07 0.03 0.53 -0.75 4.29 4.03 3hp6A1 GLU 751 HB2 -0.05 0.07 0.20 -0.04 2.09 2.26 3hp6A1 GLU 751 HB3 -0.05 -0.05 0.06 -0.04 1.99 1.91 3hp6A1 GLU 751 HG2 -0.06 -0.05 0.04 -0.04 2.34 2.23 3hp6A1 GLU 751 HG3 -0.09 0.04 0.08 -0.04 2.34 2.33 3hp6A1 ASN 752 H -0.08 0.70 -0.07 -0.55 8.53 8.53 3hp6A1 ASN 752 HA -0.06 -0.02 0.38 -0.75 4.76 4.31 3hp6A1 ASN 752 HB2 -0.04 0.10 0.20 -0.04 2.88 3.10 3hp6A1 ASN 752 HB3 -0.03 -0.06 0.04 -0.04 2.79 2.70 3hp6A1 ASN 752 HD21 0.00 -0.08 0.00 -0.04 7.03 6.92 3hp6A1 ASN 752 HD22 0.02 0.03 -0.03 -0.04 7.74 7.73 3hp6A1 ILE 753 H -0.30 0.80 -0.02 -0.55 8.25 8.19 3hp6A1 ILE 753 HA -0.14 0.02 0.55 -0.75 4.18 3.86 3hp6A1 ILE 753 HB -0.71 0.01 0.12 -0.04 1.89 1.27 3hp6A1 ILE 753 HG12 -0.08 0.08 0.07 -0.04 1.49 1.51 3hp6A1 ILE 753 HG13 -0.10 -0.03 0.02 -0.04 1.21 1.05 3hp6A1 ILE 753 HG23 -0.54 0.03 -0.06 -0.04 0.93 0.32 3hp6A1 ILE 753 HD13 0.00 -0.03 0.11 -0.04 0.88 0.92 3hp6A1 VAL 754 H -0.15 0.42 -0.23 -0.55 8.24 7.73 3hp6A1 VAL 754 HA -0.07 0.03 0.50 -0.75 4.13 3.84 3hp6A1 VAL 754 HB -0.07 0.16 0.19 -0.04 2.12 2.35 3hp6A1 VAL 754 HG13 -0.03 -0.03 -0.09 -0.04 0.97 0.78 3hp6A1 VAL 754 HG23 -0.06 -0.00 0.08 -0.04 0.95 0.93 3hp6A1 GLN 755 H -0.07 0.48 -0.10 -0.55 8.47 8.23 3hp6A1 GLN 755 HA -0.04 0.02 0.52 -0.75 4.36 4.11 3hp6A1 GLN 755 HB2 -0.04 0.11 0.17 -0.04 2.15 2.35 3hp6A1 GLN 755 HB3 -0.05 0.09 0.16 -0.04 2.02 2.18 3hp6A1 GLN 755 HG2 -0.03 -0.04 -0.03 -0.04 2.40 2.26 3hp6A1 GLN 755 HG3 -0.03 -0.03 0.05 -0.04 2.39 2.34 3hp6A1 GLN 755 HE21 -0.02 -0.02 -0.01 -0.04 6.97 6.88 3hp6A1 GLN 755 HE22 -0.02 -0.01 -0.01 -0.04 7.69 7.60 3hp6A1 GLU 756 H -0.07 0.67 -0.06 -0.55 8.60 8.59 3hp6A1 GLU 756 HA -0.08 -0.02 0.48 -0.75 4.29 3.91 3hp6A1 GLU 756 HB2 -0.06 0.03 0.18 -0.04 2.09 2.20 3hp6A1 GLU 756 HB3 -0.09 0.11 0.21 -0.04 1.99 2.19 3hp6A1 GLU 756 HG2 -0.16 0.07 -0.15 -0.04 2.34 2.07 3hp6A1 GLU 756 HG3 -0.11 -0.07 0.07 -0.04 2.34 2.20 3hp6A1 ALA 757 H -0.09 0.59 -0.11 -0.55 8.40 8.26 3hp6A1 ALA 757 HA -0.13 0.10 0.52 -0.75 4.34 4.08 3hp6A1 ALA 757 HB3 -0.04 0.02 0.05 -0.04 1.41 1.39 3hp6A1 LYS 758 H -0.05 0.50 -0.27 -0.55 8.42 8.04 3hp6A1 LYS 758 HA -0.01 -0.03 0.38 -0.75 4.32 3.90 3hp6A1 LYS 758 HB2 -0.03 0.13 0.23 -0.04 1.87 2.16 3hp6A1 LYS 758 HB3 -0.02 -0.07 -0.01 -0.04 1.79 1.66 3hp6A1 LYS 758 HG2 -0.01 -0.09 -0.08 -0.04 1.46 1.25 3hp6A1 LYS 758 HG3 -0.02 -0.02 -0.07 -0.04 1.46 1.31 3hp6A1 LYS 758 HD2 -0.02 0.04 -0.09 -0.04 1.69 1.58 3hp6A1 LYS 758 HD3 -0.01 -0.07 -0.02 -0.04 1.68 1.54 3hp6A1 LYS 758 HE2 -0.00 -0.01 0.02 -0.04 2.99 2.96 3hp6A1 LYS 758 HE3 -0.01 0.06 -0.01 -0.04 2.99 2.99 3hp6A1 GLN 759 H -0.05 0.52 -0.05 -0.55 8.47 8.34 3hp6A1 GLN 759 HA -0.02 0.00 0.46 -0.75 4.36 4.04 3hp6A1 GLN 759 HB2 -0.06 0.06 0.17 -0.04 2.15 2.28 3hp6A1 GLN 759 HB3 -0.04 -0.07 0.05 -0.04 2.02 1.92 3hp6A1 GLN 759 HG2 -0.02 -0.07 0.02 -0.04 2.40 2.28 3hp6A1 GLN 759 HG3 -0.03 0.20 0.09 -0.04 2.39 2.61 3hp6A1 GLN 759 HE21 -0.03 -0.06 -0.04 -0.04 6.97 6.80 3hp6A1 GLN 759 HE22 -0.05 0.07 -0.00 -0.04 7.69 7.67 3hp6A1 LYS 760 H -0.13 0.69 0.04 -0.55 8.42 8.47 3hp6A1 LYS 760 HA -0.09 0.11 0.73 -0.75 4.32 4.32 3hp6A1 LYS 760 HB2 -0.52 0.14 0.16 -0.04 1.87 1.61 3hp6A1 LYS 760 HB3 -0.88 -0.06 0.04 -0.04 1.79 0.85 3hp6A1 LYS 760 HG2 -0.14 -0.03 -0.02 -0.04 1.46 1.22 3hp6A1 LYS 760 HG3 -0.18 0.02 0.05 -0.04 1.46 1.31 3hp6A1 LYS 760 HD2 -0.33 0.03 -0.01 -0.04 1.69 1.35 3hp6A1 LYS 760 HD3 -0.35 -0.01 -0.02 -0.04 1.68 1.26 3hp6A1 LYS 760 HE2 -0.04 -0.02 -0.01 -0.04 2.99 2.88 3hp6A1 LYS 760 HE3 -0.08 -0.03 0.01 -0.04 2.99 2.85 3hp6A1 GLY 761 H -0.09 0.59 0.08 -0.55 8.43 8.47 3hp6A1 GLY 761 HA2 0.06 0.04 0.30 -0.51 4.01 3.90 3hp6A1 GLY 761 HA3 0.16 0.10 0.68 -0.51 4.01 4.43 3hp6A1 TYR 762 H -0.26 0.24 0.05 -0.55 8.29 7.78 3hp6A1 TYR 762 HA -0.09 0.06 0.81 -0.75 4.56 4.58 3hp6A1 TYR 762 HB2 -0.50 0.04 -0.12 -0.04 3.06 2.45 3hp6A1 TYR 762 HB3 -0.56 0.00 -0.26 -0.04 2.98 2.12 3hp6A1 TYR 762 HD2 -0.07 0.07 -0.37 -0.04 7.15 6.75 3hp6A1 TYR 762 HE2 -0.00 0.01 -0.09 -0.04 6.85 6.73 3hp6A1 VAL 763 H 0.03 0.56 0.35 -0.55 8.24 8.63 3hp6A1 VAL 763 HA -0.04 0.18 0.80 -0.75 4.13 4.31 3hp6A1 VAL 763 HB 0.02 0.02 0.18 -0.04 2.12 2.31 3hp6A1 VAL 763 HG13 -0.03 0.01 0.00 -0.04 0.97 0.92 3hp6A1 VAL 763 HG23 0.02 0.01 -0.05 -0.04 0.95 0.89 3hp6A1 THR 764 H 0.05 0.22 0.21 -0.55 8.28 8.22 3hp6A1 THR 764 HA 0.05 0.42 1.09 -0.75 4.39 5.20 3hp6A1 THR 764 HB 0.10 0.05 0.05 -0.04 4.32 4.48 3hp6A1 THR 764 HG23 0.24 -0.00 -0.25 -0.04 1.22 1.17 3hp6A1 THR 765 H 0.01 0.42 0.20 -0.55 8.28 8.36 3hp6A1 THR 765 HA 0.01 0.25 0.89 -0.75 4.39 4.79 3hp6A1 THR 765 HB -0.02 -0.11 -0.00 -0.04 4.32 4.14 3hp6A1 THR 765 HG23 0.00 0.08 -0.21 -0.04 1.22 1.05 3hp6A1 LEU 766 H -0.05 0.14 0.19 -0.55 8.37 8.11 3hp6A1 LEU 766 HA -0.10 0.14 0.37 -0.75 4.35 4.00 3hp6A1 LEU 766 HB2 -0.09 -0.07 0.21 -0.04 1.64 1.66 3hp6A1 LEU 766 HB3 -0.11 0.06 -0.02 -0.04 1.64 1.53 3hp6A1 LEU 766 HG -0.04 0.01 0.09 -0.04 1.64 1.66 3hp6A1 LEU 766 HD13 -0.20 -0.01 0.01 -0.04 0.93 0.69 3hp6A1 LEU 766 HD23 -0.05 0.02 0.04 -0.04 0.89 0.85 3hp6A1 LEU 767 H -0.10 0.02 -0.15 -0.55 8.37 7.59 3hp6A1 LEU 767 HA -0.21 0.28 0.89 -0.75 4.35 4.56 3hp6A1 LEU 767 HB2 -0.03 -0.06 0.09 -0.04 1.64 1.60 3hp6A1 LEU 767 HB3 -0.01 0.02 0.17 -0.04 1.64 1.78 3hp6A1 LEU 767 HG -0.07 -0.10 -0.10 -0.04 1.64 1.33 3hp6A1 LEU 767 HD13 -0.02 0.01 -0.04 -0.04 0.93 0.84 3hp6A1 LEU 767 HD23 -0.05 0.05 -0.11 -0.04 0.89 0.74 3hp6A1 HIS 768 H -0.23 0.47 -0.44 -0.55 8.41 7.66 3hp6A1 HIS 768 HA 0.01 0.10 0.27 -0.75 4.63 4.26 3hp6A1 HIS 768 HB2 0.00 0.12 -0.00 -0.04 3.26 3.34 3hp6A1 HIS 768 HB3 0.00 0.09 0.14 -0.04 3.20 3.39 3hp6A1 HIS 768 HD2 0.03 -0.00 0.02 -0.04 6.97 6.97 3hp6A1 HIS 768 HE1 0.02 -0.06 0.02 -0.04 7.75 7.68 3hp6A1 ARG 769 H 0.00 -0.11 -0.29 -0.55 8.46 7.51 3hp6A1 ARG 769 HA -0.02 0.14 0.63 -0.75 4.34 4.34 3hp6A1 ARG 769 HB2 -0.01 -0.03 0.01 -0.04 1.90 1.83 3hp6A1 ARG 769 HB3 -0.02 -0.11 -0.04 -0.04 1.80 1.58 3hp6A1 ARG 769 HG2 -0.08 0.16 -0.12 -0.04 1.67 1.59 3hp6A1 ARG 769 HG3 -0.08 0.02 0.02 -0.04 1.67 1.58 3hp6A1 ARG 769 HD2 -0.02 0.07 -0.20 -0.04 3.22 3.03 3hp6A1 ARG 769 HD3 -0.04 -0.07 -0.28 -0.04 3.22 2.78 3hp6A1 ARG 770 H -0.08 0.25 0.23 -0.55 8.46 8.31 3hp6A1 ARG 770 HA -0.07 0.32 1.00 -0.75 4.34 4.83 3hp6A1 ARG 770 HB2 -0.18 0.06 0.00 -0.04 1.90 1.74 3hp6A1 ARG 770 HB3 -0.20 0.04 0.03 -0.04 1.80 1.63 3hp6A1 ARG 770 HG2 -0.97 -0.11 -0.16 -0.04 1.67 0.39 3hp6A1 ARG 770 HG3 -0.41 0.05 -0.05 -0.04 1.67 1.22 3hp6A1 ARG 770 HD2 -0.32 0.06 0.01 -0.04 3.22 2.93 3hp6A1 ARG 770 HD3 -1.18 -0.05 -0.06 -0.04 3.22 1.89 3hp6A1 ARG 771 H -0.07 0.61 0.29 -0.55 8.46 8.73 3hp6A1 ARG 771 HA -0.02 0.12 0.68 -0.75 4.34 4.35 3hp6A1 ARG 771 HB2 -0.01 0.07 -0.01 -0.04 1.90 1.90 3hp6A1 ARG 771 HB3 0.00 -0.10 0.08 -0.04 1.80 1.74 3hp6A1 ARG 771 HG2 0.05 0.14 -0.13 -0.04 1.67 1.69 3hp6A1 ARG 771 HG3 0.03 0.05 0.15 -0.04 1.67 1.86 3hp6A1 ARG 771 HD2 0.02 0.00 -0.07 -0.04 3.22 3.13 3hp6A1 ARG 771 HD3 0.03 -0.05 -0.11 -0.04 3.22 3.05 3hp6A1 TYR 772 H 0.20 0.11 0.17 -0.55 8.29 8.22 3hp6A1 TYR 772 HA 0.14 0.21 0.86 -0.75 4.56 5.02 3hp6A1 TYR 772 HB2 0.03 -0.11 0.18 -0.04 3.06 3.12 3hp6A1 TYR 772 HB3 0.05 0.05 0.11 -0.04 2.98 3.15 3hp6A1 TYR 772 HD2 0.05 0.01 0.04 -0.04 7.15 7.21 3hp6A1 TYR 772 HE2 -0.08 0.21 0.05 -0.04 6.85 6.99 3hp6A1 LEU 773 H 0.16 0.64 0.15 -0.55 8.37 8.77 3hp6A1 LEU 773 HA 0.09 0.13 0.87 -0.75 4.35 4.68 3hp6A1 LEU 773 HB2 0.05 0.06 0.05 -0.04 1.64 1.76 3hp6A1 LEU 773 HB3 0.05 -0.10 0.09 -0.04 1.64 1.64 3hp6A1 LEU 773 HG 0.05 0.04 -0.56 -0.04 1.64 1.13 3hp6A1 LEU 773 HD13 0.02 0.04 -0.13 -0.04 0.93 0.81 3hp6A1 LEU 773 HD23 0.05 0.02 -0.05 -0.04 0.89 0.86 3hp6A1 PRO 774 HA 0.07 0.16 0.41 -0.51 4.44 4.57 3hp6A1 PRO 774 HB2 0.04 0.00 -0.03 -0.04 2.28 2.25 3hp6A1 PRO 774 HB3 0.05 0.08 0.11 -0.04 2.02 2.22 3hp6A1 PRO 774 HG2 0.04 -0.04 0.03 -0.04 2.03 2.03 3hp6A1 PRO 774 HG3 0.04 0.07 0.03 -0.04 2.03 2.13 3hp6A1 PRO 774 HD2 0.09 0.19 -0.01 -0.04 3.68 3.90 3hp6A1 PRO 774 HD3 0.14 0.14 -0.10 -0.04 3.65 3.79 3hp6A1 ASP 775 H 0.05 0.11 -0.35 -0.55 8.40 7.66 3hp6A1 ASP 775 HA 0.03 0.06 0.41 -0.75 4.63 4.37 3hp6A1 ASP 775 HB2 0.04 0.03 -0.02 -0.04 2.71 2.73 3hp6A1 ASP 775 HB3 0.03 -0.01 -0.02 -0.04 2.70 2.67 3hp6A1 ILE 776 H 0.03 0.51 -0.48 -0.55 8.25 7.76 3hp6A1 ILE 776 HA 0.02 0.02 0.08 -0.75 4.18 3.54 3hp6A1 ILE 776 HB 0.02 -0.01 0.00 -0.04 1.89 1.87 3hp6A1 ILE 776 HG12 -0.01 0.03 -0.14 -0.04 1.49 1.33 3hp6A1 ILE 776 HG13 -0.00 -0.04 0.06 -0.04 1.21 1.19 3hp6A1 ILE 776 HG23 0.01 0.05 -0.15 -0.04 0.93 0.81 3hp6A1 ILE 776 HD13 -0.01 -0.00 -0.12 -0.04 0.88 0.70 3hp6A1 THR 777 H 0.02 0.20 -0.19 -0.55 8.28 7.76 3hp6A1 THR 777 HA 0.01 0.25 0.77 -0.75 4.39 4.66 3hp6A1 THR 777 HB 0.01 0.07 0.00 -0.04 4.32 4.36 3hp6A1 THR 777 HG23 0.02 0.00 -0.01 -0.04 1.22 1.20 3hp6A1 SER 778 H 0.02 0.24 -0.35 -0.55 8.46 7.83 3hp6A1 SER 778 HA 0.02 0.08 0.43 -0.75 4.49 4.27 3hp6A1 SER 778 HB2 0.03 0.14 0.08 -0.04 3.95 4.15 3hp6A1 SER 778 HB3 0.03 -0.26 0.08 -0.04 3.93 3.74 3hp6A1 ARG 779 H 0.03 0.13 0.17 -0.55 8.46 8.24 3hp6A1 ARG 779 HA 0.05 0.18 0.51 -0.75 4.34 4.32 3hp6A1 ARG 779 HB2 0.04 0.02 0.12 -0.04 1.90 2.03 3hp6A1 ARG 779 HB3 0.03 0.07 0.14 -0.04 1.80 1.99 3hp6A1 ARG 779 HG2 0.04 -0.03 -0.17 -0.04 1.67 1.46 3hp6A1 ARG 779 HG3 0.03 0.04 0.02 -0.04 1.67 1.72 3hp6A1 ARG 779 HD2 0.04 -0.19 0.05 -0.04 3.22 3.08 3hp6A1 ARG 779 HD3 0.03 0.03 0.01 -0.04 3.22 3.25 3hp6A1 ASN 780 H 0.05 0.04 -0.23 -0.55 8.53 7.84 3hp6A1 ASN 780 HA 0.09 0.08 0.50 -0.75 4.76 4.67 3hp6A1 ASN 780 HB2 0.05 0.08 0.11 -0.04 2.88 3.07 3hp6A1 ASN 780 HB3 0.05 -0.05 0.17 -0.04 2.79 2.92 3hp6A1 ASN 780 HD21 0.06 0.03 0.02 -0.04 7.03 7.10 3hp6A1 ASN 780 HD22 0.05 0.06 0.03 -0.04 7.74 7.84 3hp6A1 PHE 781 H 0.22 0.23 0.24 -0.55 8.34 8.48 3hp6A1 PHE 781 HA 0.02 0.16 0.19 -0.75 4.62 4.24 3hp6A1 PHE 781 HB2 0.01 0.10 0.16 -0.04 3.15 3.38 3hp6A1 PHE 781 HB3 0.01 -0.07 0.15 -0.04 3.06 3.11 3hp6A1 PHE 781 HD2 -0.00 0.01 -0.03 -0.04 7.28 7.21 3hp6A1 PHE 781 HE2 -0.02 0.01 -0.02 -0.04 7.38 7.31 3hp6A1 PHE 781 HZ -0.03 0.00 -0.01 -0.04 7.32 7.24 3hp6A1 ASN 782 H 0.14 0.04 -0.23 -0.55 8.53 7.93 3hp6A1 ASN 782 HA -0.16 0.11 0.44 -0.75 4.76 4.41 3hp6A1 ASN 782 HB2 0.14 -0.02 0.05 -0.04 2.88 3.01 3hp6A1 ASN 782 HB3 0.27 0.04 0.02 -0.04 2.79 3.08 3hp6A1 ASN 782 HD21 0.17 0.02 -0.00 -0.04 7.03 7.18 3hp6A1 ASN 782 HD22 0.18 0.02 0.00 -0.04 7.74 7.91 3hp6A1 VAL 783 H 0.08 0.06 -0.06 -0.55 8.24 7.76 3hp6A1 VAL 783 HA 0.13 0.05 0.49 -0.75 4.13 4.04 3hp6A1 VAL 783 HB 0.04 -0.03 0.15 -0.04 2.12 2.24 3hp6A1 VAL 783 HG13 0.03 0.05 -0.07 -0.04 0.97 0.94 3hp6A1 VAL 783 HG23 0.02 -0.01 0.04 -0.04 0.95 0.97 3hp6A1 ARG 784 H 0.01 0.49 -0.09 -0.55 8.46 8.32 3hp6A1 ARG 784 HA 0.01 0.14 0.41 -0.75 4.34 4.14 3hp6A1 ARG 784 HB2 0.01 0.02 -0.03 -0.04 1.90 1.87 3hp6A1 ARG 784 HB3 -0.04 -0.03 -0.09 -0.04 1.80 1.60 3hp6A1 ARG 784 HG2 -0.04 -0.11 -0.23 -0.04 1.67 1.25 3hp6A1 ARG 784 HG3 -0.00 0.36 0.04 -0.04 1.67 2.03 3hp6A1 ARG 784 HD2 0.01 -0.02 -0.05 -0.04 3.22 3.12 3hp6A1 ARG 784 HD3 0.03 0.52 -0.06 -0.04 3.22 3.66 3hp6A1 SER 785 H -0.21 0.44 -0.26 -0.55 8.46 7.88 3hp6A1 SER 785 HA -0.21 0.03 0.40 -0.75 4.49 3.95 3hp6A1 SER 785 HB2 -0.55 0.04 0.28 -0.04 3.95 3.68 3hp6A1 SER 785 HB3 -0.49 -0.08 -0.00 -0.04 3.93 3.32 3hp6A1 PHE 786 H 0.07 0.59 -0.09 -0.55 8.34 8.36 3hp6A1 PHE 786 HA -0.04 0.00 0.43 -0.75 4.62 4.26 3hp6A1 PHE 786 HB2 -0.04 0.12 0.21 -0.04 3.15 3.40 3hp6A1 PHE 786 HB3 -0.02 -0.04 0.02 -0.04 3.06 2.98 3hp6A1 PHE 786 HD2 -0.03 0.18 0.01 -0.04 7.28 7.40 3hp6A1 PHE 786 HE2 -0.00 -0.05 -0.01 -0.04 7.38 7.27 3hp6A1 PHE 786 HZ 0.01 -0.05 -0.01 -0.04 7.32 7.23 3hp6A1 ALA 787 H 0.10 0.53 -0.18 -0.55 8.40 8.31 3hp6A1 ALA 787 HA 0.06 -0.03 0.43 -0.75 4.34 4.05 3hp6A1 ALA 787 HB3 0.04 0.03 -0.05 -0.04 1.41 1.38 3hp6A1 GLU 788 H -0.02 0.60 -0.11 -0.55 8.60 8.52 3hp6A1 GLU 788 HA -0.01 0.03 0.51 -0.75 4.29 4.06 3hp6A1 GLU 788 HB2 -0.06 0.08 0.17 -0.04 2.09 2.24 3hp6A1 GLU 788 HB3 -0.03 -0.05 0.03 -0.04 1.99 1.90 3hp6A1 GLU 788 HG2 -0.03 -0.02 0.05 -0.04 2.34 2.30 3hp6A1 GLU 788 HG3 -0.03 0.29 0.06 -0.04 2.34 2.61 3hp6A1 ARG 789 H -0.02 0.51 -0.12 -0.55 8.46 8.28 3hp6A1 ARG 789 HA 0.05 0.05 0.44 -0.75 4.34 4.13 3hp6A1 ARG 789 HB2 -0.01 0.04 0.18 -0.04 1.90 2.07 3hp6A1 ARG 789 HB3 0.04 0.05 0.11 -0.04 1.80 1.96 3hp6A1 ARG 789 HG2 0.01 -0.03 -0.03 -0.04 1.67 1.58 3hp6A1 ARG 789 HG3 -0.08 0.09 0.07 -0.04 1.67 1.71 3hp6A1 ARG 789 HD2 -0.00 0.12 0.07 -0.04 3.22 3.37 3hp6A1 ARG 789 HD3 -0.07 0.02 0.02 -0.04 3.22 3.15 3hp6A1 MET 790 H 0.05 0.52 -0.11 -0.55 8.47 8.38 3hp6A1 MET 790 HA 0.02 -0.05 0.58 -0.75 4.52 4.32 3hp6A1 MET 790 HB2 0.04 0.18 0.14 -0.04 2.15 2.47 3hp6A1 MET 790 HB3 0.03 -0.06 0.01 -0.04 2.03 1.97 3hp6A1 MET 790 HG2 0.05 -0.09 0.02 -0.04 2.63 2.57 3hp6A1 MET 790 HG3 0.09 0.24 0.06 -0.04 2.56 2.90 3hp6A1 MET 790 HE3 0.06 -0.02 -0.05 -0.04 2.10 2.04 3hp6A1 ALA 791 H 0.02 0.55 -0.18 -0.55 8.40 8.25 3hp6A1 ALA 791 HA 0.01 -0.01 0.42 -0.75 4.34 4.01 3hp6A1 ALA 791 HB3 -0.03 0.05 0.04 -0.04 1.41 1.43 3hp6A1 MET 792 H 0.05 0.37 -0.28 -0.55 8.47 8.06 3hp6A1 MET 792 HA 0.02 0.02 0.43 -0.75 4.52 4.24 3hp6A1 MET 792 HB2 0.18 0.06 0.19 -0.04 2.15 2.53 3hp6A1 MET 792 HB3 0.25 0.13 0.14 -0.04 2.03 2.52 3hp6A1 MET 792 HG2 -0.03 -0.08 0.09 -0.04 2.63 2.57 3hp6A1 MET 792 HG3 0.01 0.22 0.09 -0.04 2.56 2.84 3hp6A1 MET 792 HE3 0.00 -0.02 -0.18 -0.04 2.10 1.86 3hp6A1 ASN 793 H 0.09 0.39 -0.17 -0.55 8.53 8.29 3hp6A1 ASN 793 HA 0.12 0.05 0.49 -0.75 4.76 4.66 3hp6A1 ASN 793 HB2 -0.31 0.03 0.06 -0.04 2.88 2.62 3hp6A1 ASN 793 HB3 -0.10 0.10 0.16 -0.04 2.79 2.91 3hp6A1 ASN 793 HD21 -0.66 -0.07 -0.02 -0.04 7.03 6.25 3hp6A1 ASN 793 HD22 -2.53 0.04 -0.00 -0.04 7.74 5.21 3hp6A1 THR 794 H 0.03 0.73 0.07 -0.55 8.28 8.55 3hp6A1 THR 794 HA -0.01 -0.12 0.29 -0.75 4.39 3.79 3hp6A1 THR 794 HB 0.03 0.19 0.06 -0.04 4.32 4.56 3hp6A1 THR 794 HG23 0.01 -0.02 -0.19 -0.04 1.22 0.98 3hp6A1 PRO 795 HA 0.05 0.05 0.38 -0.51 4.44 4.42 3hp6A1 PRO 795 HB2 0.24 0.01 -0.00 -0.04 2.28 2.49 3hp6A1 PRO 795 HB3 0.13 0.12 0.15 -0.04 2.02 2.37 3hp6A1 PRO 795 HG2 0.14 0.11 0.10 -0.04 2.03 2.35 3hp6A1 PRO 795 HG3 0.08 -0.04 0.05 -0.04 2.03 2.08 3hp6A1 PRO 795 HD2 0.18 0.18 -0.47 -0.04 3.68 3.53 3hp6A1 PRO 795 HD3 0.07 0.12 -0.00 -0.04 3.65 3.81 3hp6A1 ILE 796 H 0.14 0.38 -0.35 -0.55 8.25 7.86 3hp6A1 ILE 796 HA 0.04 0.06 0.47 -0.75 4.18 3.99 3hp6A1 ILE 796 HB 0.25 0.07 0.16 -0.04 1.89 2.34 3hp6A1 ILE 796 HG12 0.28 0.28 0.10 -0.04 1.49 2.11 3hp6A1 ILE 796 HG13 0.20 -0.04 0.03 -0.04 1.21 1.35 3hp6A1 ILE 796 HG23 0.14 -0.05 -0.03 -0.04 0.93 0.95 3hp6A1 ILE 796 HD13 -0.20 -0.02 -0.14 -0.04 0.88 0.48 3hp6A1 GLN 797 H 0.01 0.69 0.13 -0.55 8.47 8.75 3hp6A1 GLN 797 HA 0.00 -0.02 0.45 -0.75 4.36 4.03 3hp6A1 GLN 797 HB2 -0.11 0.01 0.07 -0.04 2.15 2.09 3hp6A1 GLN 797 HB3 -0.06 0.06 0.03 -0.04 2.02 2.02 3hp6A1 GLN 797 HG2 -0.03 -0.02 -0.16 -0.04 2.40 2.15 3hp6A1 GLN 797 HG3 -0.06 -0.03 0.01 -0.04 2.39 2.26 3hp6A1 GLN 797 HE21 -0.10 -0.01 -0.04 -0.04 6.97 6.77 3hp6A1 GLN 797 HE22 -0.14 0.02 -0.03 -0.04 7.69 7.50 3hp6A1 GLY 798 H 0.00 0.64 -0.16 -0.55 8.43 8.37 3hp6A1 GLY 798 HA2 0.01 0.14 0.45 -0.51 4.01 4.10 3hp6A1 GLY 798 HA3 0.00 0.18 0.32 -0.51 4.01 4.00 3hp6A1 SER 799 H -0.00 0.50 -0.22 -0.55 8.46 8.19 3hp6A1 SER 799 HA -0.04 -0.10 0.60 -0.75 4.49 4.19 3hp6A1 SER 799 HB2 -0.03 0.16 0.26 -0.04 3.95 4.30 3hp6A1 SER 799 HB3 -0.07 -0.05 0.12 -0.04 3.93 3.89 3hp6A1 ALA 800 H -0.03 0.55 -0.16 -0.55 8.40 8.21 3hp6A1 ALA 800 HA -0.13 0.01 0.51 -0.75 4.34 3.97 3hp6A1 ALA 800 HB3 -0.04 0.01 0.05 -0.04 1.41 1.39 3hp6A1 ALA 801 H -0.01 0.49 -0.23 -0.55 8.40 8.10 3hp6A1 ALA 801 HA 0.03 0.01 0.51 -0.75 4.34 4.12 3hp6A1 ALA 801 HB3 0.04 0.08 -0.06 -0.04 1.41 1.42 3hp6A1 ASP 802 H -0.02 0.50 -0.12 -0.55 8.40 8.21 3hp6A1 ASP 802 HA -0.00 0.03 0.40 -0.75 4.63 4.31 3hp6A1 ASP 802 HB2 -0.05 0.17 0.23 -0.04 2.71 3.02 3hp6A1 ASP 802 HB3 -0.04 -0.02 0.01 -0.04 2.70 2.61 3hp6A1 ILE 803 H -0.07 0.46 -0.23 -0.55 8.25 7.85 3hp6A1 ILE 803 HA -0.06 0.04 0.26 -0.75 4.18 3.67 3hp6A1 ILE 803 HB -0.21 0.09 0.17 -0.04 1.89 1.89 3hp6A1 ILE 803 HG12 -0.13 -0.02 -0.04 -0.04 1.49 1.26 3hp6A1 ILE 803 HG13 -0.12 0.05 0.06 -0.04 1.21 1.17 3hp6A1 ILE 803 HG23 -0.22 -0.02 -0.14 -0.04 0.93 0.51 3hp6A1 ILE 803 HD13 -0.19 -0.02 -0.07 -0.04 0.88 0.55 3hp6A1 ILE 804 H -0.05 0.49 -0.06 -0.55 8.25 8.08 3hp6A1 ILE 804 HA 0.16 0.04 0.47 -0.75 4.18 4.10 3hp6A1 ILE 804 HB 0.13 0.00 0.08 -0.04 1.89 2.06 3hp6A1 ILE 804 HG12 0.06 -0.02 -0.18 -0.04 1.49 1.31 3hp6A1 ILE 804 HG13 0.17 -0.03 -0.03 -0.04 1.21 1.29 3hp6A1 ILE 804 HG23 0.04 0.07 0.06 -0.04 0.93 1.07 3hp6A1 ILE 804 HD13 0.17 -0.00 -0.38 -0.04 0.88 0.63 3hp6A1 LYS 805 H 0.01 0.53 -0.27 -0.55 8.42 8.13 3hp6A1 LYS 805 HA -0.01 -0.03 0.40 -0.75 4.32 3.93 3hp6A1 LYS 805 HB2 0.01 0.16 0.17 -0.04 1.87 2.16 3hp6A1 LYS 805 HB3 0.00 -0.04 -0.02 -0.04 1.79 1.69 3hp6A1 LYS 805 HG2 -0.00 -0.11 0.01 -0.04 1.46 1.32 3hp6A1 LYS 805 HG3 0.02 0.13 0.06 -0.04 1.46 1.63 3hp6A1 LYS 805 HD2 0.03 0.02 -0.09 -0.04 1.69 1.61 3hp6A1 LYS 805 HD3 0.03 -0.06 -0.04 -0.04 1.68 1.57 3hp6A1 LYS 805 HE2 0.03 -0.12 -0.03 -0.04 2.99 2.82 3hp6A1 LYS 805 HE3 0.06 0.00 -0.00 -0.04 2.99 3.01 3hp6A1 LYS 806 H 0.00 0.55 -0.10 -0.55 8.42 8.32 3hp6A1 LYS 806 HA -0.00 0.03 0.43 -0.75 4.32 4.02 3hp6A1 LYS 806 HB2 -0.01 0.00 0.12 -0.04 1.87 1.94 3hp6A1 LYS 806 HB3 -0.00 0.10 0.15 -0.04 1.79 1.99 3hp6A1 LYS 806 HG2 -0.00 -0.00 -0.10 -0.04 1.46 1.31 3hp6A1 LYS 806 HG3 -0.00 -0.05 0.07 -0.04 1.46 1.44 3hp6A1 LYS 806 HD2 -0.01 -0.09 -0.00 -0.04 1.69 1.54 3hp6A1 LYS 806 HD3 -0.01 0.18 -0.05 -0.04 1.68 1.76 3hp6A1 LYS 806 HE2 -0.00 -0.08 0.03 -0.04 2.99 2.90 3hp6A1 LYS 806 HE3 -0.00 -0.07 0.05 -0.04 2.99 2.93 3hp6A1 ALA 807 H 0.03 0.57 -0.15 -0.55 8.40 8.31 3hp6A1 ALA 807 HA 0.02 0.02 0.35 -0.75 4.34 3.98 3hp6A1 ALA 807 HB3 0.11 0.02 0.07 -0.04 1.41 1.57 3hp6A1 MET 808 H 0.01 0.55 -0.23 -0.55 8.47 8.25 3hp6A1 MET 808 HA -0.02 -0.05 0.40 -0.75 4.52 4.10 3hp6A1 MET 808 HB2 -0.03 0.20 0.16 -0.04 2.15 2.43 3hp6A1 MET 808 HB3 -0.04 -0.07 0.00 -0.04 2.03 1.88 3hp6A1 MET 808 HG2 -0.04 -0.09 -0.02 -0.04 2.63 2.44 3hp6A1 MET 808 HG3 -0.01 0.22 0.04 -0.04 2.56 2.77 3hp6A1 MET 808 HE3 -0.17 -0.01 -0.10 -0.04 2.10 1.78 3hp6A1 ILE 809 H -0.01 0.50 -0.13 -0.55 8.25 8.06 3hp6A1 ILE 809 HA -0.02 -0.01 0.42 -0.75 4.18 3.81 3hp6A1 ILE 809 HB -0.01 0.17 0.26 -0.04 1.89 2.27 3hp6A1 ILE 809 HG12 -0.01 -0.08 -0.08 -0.04 1.49 1.27 3hp6A1 ILE 809 HG13 -0.01 -0.02 0.04 -0.04 1.21 1.18 3hp6A1 ILE 809 HG23 -0.01 0.01 -0.09 -0.04 0.93 0.79 3hp6A1 ILE 809 HD13 -0.01 0.09 0.08 -0.04 0.88 1.00 3hp6A1 ASP 810 H -0.01 0.64 -0.01 -0.55 8.40 8.48 3hp6A1 ASP 810 HA -0.02 0.01 0.37 -0.75 4.63 4.24 3hp6A1 ASP 810 HB2 -0.01 0.08 0.07 -0.04 2.71 2.81 3hp6A1 ASP 810 HB3 -0.02 -0.06 -0.01 -0.04 2.70 2.57 3hp6A1 LEU 811 H -0.02 0.63 -0.22 -0.55 8.37 8.22 3hp6A1 LEU 811 HA -0.05 -0.04 0.39 -0.75 4.35 3.90 3hp6A1 LEU 811 HB2 -0.04 0.05 0.05 -0.04 1.64 1.66 3hp6A1 LEU 811 HB3 -0.03 0.11 0.12 -0.04 1.64 1.79 3hp6A1 LEU 811 HG -0.06 0.00 -0.21 -0.04 1.64 1.34 3hp6A1 LEU 811 HD13 -0.10 -0.04 -0.05 -0.04 0.93 0.70 3hp6A1 LEU 811 HD23 -0.06 -0.01 -0.10 -0.04 0.89 0.68 3hp6A1 ASN 812 H -0.02 0.69 -0.07 -0.55 8.53 8.57 3hp6A1 ASN 812 HA -0.02 -0.04 0.40 -0.75 4.76 4.34 3hp6A1 ASN 812 HB2 -0.02 0.13 0.18 -0.04 2.88 3.14 3hp6A1 ASN 812 HB3 -0.02 0.10 0.10 -0.04 2.79 2.93 3hp6A1 ASN 812 HD21 0.01 0.02 0.04 -0.04 7.03 7.06 3hp6A1 ASN 812 HD22 0.00 -0.06 0.07 -0.04 7.74 7.71 3hp6A1 ALA 813 H -0.02 0.51 -0.25 -0.55 8.40 8.09 3hp6A1 ALA 813 HA -0.02 0.00 0.38 -0.75 4.34 3.94 3hp6A1 ALA 813 HB3 -0.02 0.06 0.11 -0.04 1.41 1.51 3hp6A1 ARG 814 H -0.04 0.46 -0.13 -0.55 8.46 8.20 3hp6A1 ARG 814 HA -0.04 0.02 0.43 -0.75 4.34 4.00 3hp6A1 ARG 814 HB2 -0.06 0.03 0.11 -0.04 1.90 1.94 3hp6A1 ARG 814 HB3 -0.05 -0.08 -0.01 -0.04 1.80 1.62 3hp6A1 ARG 814 HG2 -0.03 0.15 0.09 -0.04 1.67 1.83 3hp6A1 ARG 814 HG3 -0.04 -0.03 -0.02 -0.04 1.67 1.54 3hp6A1 ARG 814 HD2 -0.03 -0.03 -0.03 -0.04 3.22 3.09 3hp6A1 ARG 814 HD3 -0.03 0.02 -0.03 -0.04 3.22 3.14 3hp6A1 LEU 815 H -0.05 0.60 0.04 -0.55 8.37 8.41 3hp6A1 LEU 815 HA -0.07 -0.10 0.40 -0.75 4.35 3.83 3hp6A1 LEU 815 HB2 -0.03 0.09 0.10 -0.04 1.64 1.76 3hp6A1 LEU 815 HB3 -0.04 0.13 -0.03 -0.04 1.64 1.67 3hp6A1 LEU 815 HG -0.07 0.17 -0.03 -0.04 1.64 1.68 3hp6A1 LEU 815 HD13 -0.04 0.04 -0.21 -0.04 0.93 0.67 3hp6A1 LEU 815 HD23 -0.13 -0.05 -0.07 -0.04 0.89 0.60 3hp6A1 LYS 816 H -0.03 0.54 -0.20 -0.55 8.42 8.18 3hp6A1 LYS 816 HA -0.02 0.05 0.52 -0.75 4.32 4.12 3hp6A1 LYS 816 HB2 -0.02 -0.04 0.09 -0.04 1.87 1.86 3hp6A1 LYS 816 HB3 -0.02 0.21 0.14 -0.04 1.79 2.08 3hp6A1 LYS 816 HG2 -0.02 0.02 -0.12 -0.04 1.46 1.30 3hp6A1 LYS 816 HG3 -0.02 -0.05 -0.11 -0.04 1.46 1.24 3hp6A1 LYS 816 HD2 -0.02 -0.01 0.01 -0.04 1.69 1.63 3hp6A1 LYS 816 HD3 -0.02 -0.00 -0.01 -0.04 1.68 1.60 3hp6A1 LYS 816 HE2 -0.02 -0.02 -0.01 -0.04 2.99 2.90 3hp6A1 LYS 816 HE3 -0.02 -0.01 -0.03 -0.04 2.99 2.89 3hp6A1 GLU 817 H -0.03 0.44 -0.06 -0.55 8.60 8.40 3hp6A1 GLU 817 HA -0.02 -0.00 0.50 -0.75 4.29 4.01 3hp6A1 GLU 817 HB2 -0.03 -0.01 0.12 -0.04 2.09 2.13 3hp6A1 GLU 817 HB3 -0.03 0.00 0.32 -0.04 1.99 2.24 3hp6A1 GLU 817 HG2 -0.03 0.01 -0.33 -0.04 2.34 1.94 3hp6A1 GLU 817 HG3 -0.03 -0.05 -0.03 -0.04 2.34 2.20 3hp6A1 GLU 818 H -0.04 0.74 -0.04 -0.55 8.60 8.71 3hp6A1 GLU 818 HA -0.04 0.12 0.72 -0.75 4.29 4.34 3hp6A1 GLU 818 HB2 -0.06 0.00 0.07 -0.04 2.09 2.06 3hp6A1 GLU 818 HB3 -0.05 -0.07 0.16 -0.04 1.99 1.99 3hp6A1 GLU 818 HG2 -0.04 0.00 -0.04 -0.04 2.34 2.22 3hp6A1 GLU 818 HG3 -0.04 0.02 -0.07 -0.04 2.34 2.21 3hp6A1 ARG 819 H -0.03 0.29 -0.77 -0.55 8.46 7.40 3hp6A1 ARG 819 HA -0.02 0.11 0.32 -0.75 4.34 4.00 3hp6A1 ARG 819 HB2 -0.02 -0.09 0.10 -0.04 1.90 1.85 3hp6A1 ARG 819 HB3 -0.02 0.03 0.05 -0.04 1.80 1.82 3hp6A1 ARG 819 HG2 -0.03 -0.38 -1.19 -0.04 1.67 0.03 3hp6A1 ARG 819 HG3 -0.03 -0.06 -0.24 -0.04 1.67 1.30 3hp6A1 ARG 819 HD2 -0.02 -0.10 -0.03 -0.04 3.22 3.03 3hp6A1 ARG 819 HD3 -0.02 0.13 -0.01 -0.04 3.22 3.29 3hp6A1 LEU 820 H -0.05 0.30 -0.31 -0.55 8.37 7.76 3hp6A1 LEU 820 HA -0.07 0.01 0.56 -0.75 4.35 4.09 3hp6A1 LEU 820 HB2 -0.08 0.10 0.10 -0.04 1.64 1.72 3hp6A1 LEU 820 HB3 -0.13 -0.29 0.13 -0.04 1.64 1.31 3hp6A1 LEU 820 HG -0.09 0.16 0.04 -0.04 1.64 1.71 3hp6A1 LEU 820 HD13 -0.09 -0.01 -0.03 -0.04 0.93 0.76 3hp6A1 LEU 820 HD23 -0.15 -0.05 0.07 -0.04 0.89 0.71 3hp6A1 GLN 821 H -0.12 0.03 0.21 -0.55 8.47 8.04 3hp6A1 GLN 821 HA 0.05 0.24 0.69 -0.75 4.36 4.59 3hp6A1 GLN 821 HB2 -0.21 -0.12 0.17 -0.04 2.15 1.95 3hp6A1 GLN 821 HB3 0.03 -0.00 0.09 -0.04 2.02 2.10 3hp6A1 GLN 821 HG2 0.15 0.06 0.05 -0.04 2.40 2.63 3hp6A1 GLN 821 HG3 0.03 0.06 0.02 -0.04 2.39 2.45 3hp6A1 GLN 821 HE21 0.07 -0.04 0.03 -0.04 6.97 6.99 3hp6A1 GLN 821 HE22 -0.04 -0.01 0.06 -0.04 7.69 7.66 3hp6A1 ALA 822 H -0.15 -0.10 -0.15 -0.55 8.40 7.46 3hp6A1 ALA 822 HA -0.20 0.19 0.55 -0.75 4.34 4.12 3hp6A1 ALA 822 HB3 -0.19 -0.03 0.03 -0.04 1.41 1.17 3hp6A1 HIS 823 H -0.22 0.45 0.40 -0.55 8.41 8.49 3hp6A1 HIS 823 HA -0.00 0.09 0.47 -0.75 4.63 4.44 3hp6A1 HIS 823 HB2 0.05 -0.01 0.13 -0.04 3.26 3.39 3hp6A1 HIS 823 HB3 0.06 0.13 -0.03 -0.04 3.20 3.32 3hp6A1 HIS 823 HD2 0.07 0.28 -0.17 -0.04 6.97 7.10 3hp6A1 HIS 823 HE1 0.24 -0.09 -0.03 -0.04 7.75 7.82 3hp6A1 LEU 824 H 0.10 0.14 0.12 -0.55 8.37 8.19 3hp6A1 LEU 824 HA -0.02 0.05 0.68 -0.75 4.35 4.31 3hp6A1 LEU 824 HB2 0.03 0.03 0.06 -0.04 1.64 1.73 3hp6A1 LEU 824 HB3 -0.01 -0.01 -0.09 -0.04 1.64 1.49 3hp6A1 LEU 824 HG -0.01 -0.04 -0.06 -0.04 1.64 1.48 3hp6A1 LEU 824 HD13 -0.02 0.01 -0.02 -0.04 0.93 0.85 3hp6A1 LEU 824 HD23 -0.03 0.00 -0.10 -0.04 0.89 0.72 3hp6A1 LEU 825 H -0.04 0.66 0.51 -0.55 8.37 8.96 3hp6A1 LEU 825 HA 0.10 0.28 0.94 -0.75 4.35 4.91 3hp6A1 LEU 825 HB2 -0.12 -0.02 -0.01 -0.04 1.64 1.46 3hp6A1 LEU 825 HB3 -0.04 -0.01 -0.05 -0.04 1.64 1.51 3hp6A1 LEU 825 HG -0.09 -0.07 -0.18 -0.04 1.64 1.25 3hp6A1 LEU 825 HD13 -0.06 -0.03 -0.19 -0.04 0.93 0.61 3hp6A1 LEU 825 HD23 0.09 0.05 -0.01 -0.04 0.89 0.98 3hp6A1 LEU 826 H -0.05 0.35 0.34 -0.55 8.37 8.46 3hp6A1 LEU 826 HA 0.22 0.14 0.79 -0.75 4.35 4.74 3hp6A1 LEU 826 HB2 -0.23 -0.08 -0.05 -0.04 1.64 1.25 3hp6A1 LEU 826 HB3 0.01 0.04 -0.12 -0.04 1.64 1.53 3hp6A1 LEU 826 HG -0.13 -0.01 -0.49 -0.04 1.64 0.96 3hp6A1 LEU 826 HD13 -0.58 0.01 -0.10 -0.04 0.93 0.22 3hp6A1 LEU 826 HD23 0.10 0.04 -0.05 -0.04 0.89 0.94 3hp6A1 GLN 827 H -0.08 0.24 0.15 -0.55 8.47 8.24 3hp6A1 GLN 827 HA -0.06 0.29 0.89 -0.75 4.36 4.73 3hp6A1 GLN 827 HB2 -0.19 0.06 0.01 -0.04 2.15 1.99 3hp6A1 GLN 827 HB3 -0.31 -0.04 0.09 -0.04 2.02 1.71 3hp6A1 GLN 827 HG2 -0.03 0.06 0.02 -0.04 2.40 2.41 3hp6A1 GLN 827 HG3 -0.06 0.08 -0.06 -0.04 2.39 2.30 3hp6A1 GLN 827 HE21 0.04 -0.04 0.03 -0.04 6.97 6.96 3hp6A1 GLN 827 HE22 0.00 0.09 -0.08 -0.04 7.69 7.66 3hp6A1 VAL 828 H -0.01 0.62 0.11 -0.55 8.24 8.42 3hp6A1 VAL 828 HA -0.21 0.17 0.81 -0.75 4.13 4.14 3hp6A1 VAL 828 HB 0.09 -0.04 0.13 -0.04 2.12 2.26 3hp6A1 VAL 828 HG13 0.09 -0.01 0.07 -0.04 0.97 1.07 3hp6A1 VAL 828 HG23 0.16 0.03 -0.23 -0.04 0.95 0.86 3hp6A1 HIS 829 H -0.19 0.19 -0.17 -0.55 8.41 7.69 3hp6A1 HIS 829 HA 0.05 0.03 0.39 -0.75 4.63 4.35 3hp6A1 HIS 829 HB2 0.05 0.11 0.03 -0.04 3.26 3.41 3hp6A1 HIS 829 HB3 0.04 -0.00 -0.01 -0.04 3.20 3.18 3hp6A1 HIS 829 HD2 0.06 0.08 -0.12 -0.04 6.97 6.94 3hp6A1 HIS 829 HE1 0.08 0.20 0.04 -0.04 7.75 8.02 3hp6A1 ASP 830 H 0.15 0.62 0.21 -0.55 8.40 8.84 3hp6A1 ASP 830 HA 0.21 0.18 0.61 -0.75 4.63 4.88 3hp6A1 ASP 830 HB2 0.20 -0.06 0.26 -0.04 2.71 3.07 3hp6A1 ASP 830 HB3 0.11 0.02 0.01 -0.04 2.70 2.80 3hp6A1 GLU 831 H 0.09 0.07 -0.15 -0.55 8.60 8.07 3hp6A1 GLU 831 HA 0.05 0.27 0.99 -0.75 4.29 4.85 3hp6A1 GLU 831 HB2 0.10 -0.12 -0.02 -0.04 2.09 2.00 3hp6A1 GLU 831 HB3 0.09 0.11 -0.08 -0.04 1.99 2.07 3hp6A1 GLU 831 HG2 0.09 0.04 -0.07 -0.04 2.34 2.36 3hp6A1 GLU 831 HG3 0.11 -0.13 -0.36 -0.04 2.34 1.92 3hp6A1 LEU 832 H 0.01 0.71 0.35 -0.55 8.37 8.89 3hp6A1 LEU 832 HA -0.02 0.20 1.10 -0.75 4.35 4.88 3hp6A1 LEU 832 HB2 0.00 -0.02 0.09 -0.04 1.64 1.67 3hp6A1 LEU 832 HB3 -0.01 0.04 0.01 -0.04 1.64 1.63 3hp6A1 LEU 832 HG 0.00 -0.07 -0.25 -0.04 1.64 1.28 3hp6A1 LEU 832 HD13 -0.02 0.01 -0.13 -0.04 0.93 0.76 3hp6A1 LEU 832 HD23 -0.02 0.04 -0.03 -0.04 0.89 0.84 3hp6A1 ILE 833 H -0.07 0.70 0.34 -0.55 8.25 8.68 3hp6A1 ILE 833 HA -0.04 0.28 1.22 -0.75 4.18 4.89 3hp6A1 ILE 833 HB -0.32 -0.11 0.12 -0.04 1.89 1.53 3hp6A1 ILE 833 HG12 -0.16 -0.05 -0.22 -0.04 1.49 1.02 3hp6A1 ILE 833 HG13 -0.75 0.02 -0.12 -0.04 1.21 0.33 3hp6A1 ILE 833 HG23 -0.55 0.03 -0.09 -0.04 0.93 0.27 3hp6A1 ILE 833 HD13 0.08 0.03 -0.31 -0.04 0.88 0.63 3hp6A1 LEU 834 H 0.05 0.95 0.45 -0.55 8.37 9.28 3hp6A1 LEU 834 HA -0.07 0.13 1.11 -0.75 4.35 4.76 3hp6A1 LEU 834 HB2 0.05 -0.05 0.02 -0.04 1.64 1.62 3hp6A1 LEU 834 HB3 -0.09 0.09 0.03 -0.04 1.64 1.63 3hp6A1 LEU 834 HG -0.03 -0.02 -0.33 -0.04 1.64 1.22 3hp6A1 LEU 834 HD13 0.04 -0.01 -0.25 -0.04 0.93 0.67 3hp6A1 LEU 834 HD23 -0.12 -0.01 -0.28 -0.04 0.89 0.44 3hp6A1 GLU 835 H -0.20 0.60 0.37 -0.55 8.60 8.83 3hp6A1 GLU 835 HA 0.05 0.27 0.69 -0.75 4.29 4.55 3hp6A1 GLU 835 HB2 0.30 -0.08 0.09 -0.04 2.09 2.36 3hp6A1 GLU 835 HB3 0.06 0.03 0.05 -0.04 1.99 2.08 3hp6A1 GLU 835 HG2 -0.34 0.09 0.05 -0.04 2.34 2.09 3hp6A1 GLU 835 HG3 0.43 -0.01 -0.16 -0.04 2.34 2.55 3hp6A1 ALA 836 H -0.00 0.49 0.28 -0.55 8.40 8.63 3hp6A1 ALA 836 HA -0.90 0.18 0.60 -0.75 4.34 3.46 3hp6A1 ALA 836 HB3 -0.33 -0.00 -0.11 -0.04 1.41 0.93 3hp6A1 PRO 837 HA -0.88 0.22 0.66 -0.51 4.44 3.93 3hp6A1 PRO 837 HB2 -0.39 -0.13 0.06 -0.04 2.28 1.77 3hp6A1 PRO 837 HB3 -0.34 0.10 0.12 -0.04 2.02 1.86 3hp6A1 PRO 837 HG2 -0.44 0.05 0.10 -0.04 2.03 1.70 3hp6A1 PRO 837 HG3 -0.90 0.14 0.07 -0.04 2.03 1.30 3hp6A1 PRO 837 HD2 -0.81 0.01 0.17 -0.04 3.68 3.01 3hp6A1 PRO 837 HD3 -2.49 0.26 0.04 -0.04 3.65 1.42 3hp6A1 LYS 838 H -0.14 0.64 0.36 -0.55 8.42 8.73 3hp6A1 LYS 838 HA -0.12 0.06 0.28 -0.75 4.32 3.79 3hp6A1 LYS 838 HB2 -0.01 -0.04 0.03 -0.04 1.87 1.81 3hp6A1 LYS 838 HB3 0.01 0.09 0.04 -0.04 1.79 1.89 3hp6A1 LYS 838 HG2 -0.02 0.04 0.22 -0.04 1.46 1.66 3hp6A1 LYS 838 HG3 -0.02 -0.04 -0.04 -0.04 1.46 1.32 3hp6A1 LYS 838 HD2 0.03 -0.03 0.01 -0.04 1.69 1.66 3hp6A1 LYS 838 HD3 0.05 0.02 0.07 -0.04 1.68 1.79 3hp6A1 LYS 838 HE2 0.04 0.02 0.07 -0.04 2.99 3.07 3hp6A1 LYS 838 HE3 0.02 -0.02 0.02 -0.04 2.99 2.97 3hp6A1 GLU 839 H -0.13 0.13 -0.23 -0.55 8.60 7.81 3hp6A1 GLU 839 HA -0.08 0.09 0.40 -0.75 4.29 3.94 3hp6A1 GLU 839 HB2 -0.11 0.04 -0.05 -0.04 2.09 1.93 3hp6A1 GLU 839 HB3 -0.07 0.04 0.08 -0.04 1.99 2.00 3hp6A1 GLU 839 HG2 -0.04 0.06 0.03 -0.04 2.34 2.34 3hp6A1 GLU 839 HG3 -0.05 -0.02 0.04 -0.04 2.34 2.27 3hp6A1 GLU 840 H -0.22 0.43 -0.43 -0.55 8.60 7.83 3hp6A1 GLU 840 HA -0.16 0.11 0.48 -0.75 4.29 3.97 3hp6A1 GLU 840 HB2 -0.30 0.24 0.05 -0.04 2.09 2.03 3hp6A1 GLU 840 HB3 -0.24 -0.07 0.14 -0.04 1.99 1.79 3hp6A1 GLU 840 HG2 -0.18 0.05 0.01 -0.04 2.34 2.19 3hp6A1 GLU 840 HG3 -0.28 -0.03 0.04 -0.04 2.34 2.04 3hp6A1 MET 841 H -0.20 0.45 -0.50 -0.55 8.47 7.67 3hp6A1 MET 841 HA -0.27 0.02 0.18 -0.75 4.52 3.70 3hp6A1 MET 841 HB2 -0.32 0.22 0.09 -0.04 2.15 2.10 3hp6A1 MET 841 HB3 -0.46 0.02 -0.07 -0.04 2.03 1.48 3hp6A1 MET 841 HG2 -2.09 0.01 -0.07 -0.04 2.63 0.44 3hp6A1 MET 841 HG3 -0.41 -0.08 -0.00 -0.04 2.56 2.02 3hp6A1 MET 841 HE3 -0.19 0.01 -0.25 -0.04 2.10 1.63 3hp6A1 GLU 842 H -0.13 0.25 -0.16 -0.55 8.60 8.02 3hp6A1 GLU 842 HA -0.03 0.10 0.47 -0.75 4.29 4.07 3hp6A1 GLU 842 HB2 -0.04 0.01 0.07 -0.04 2.09 2.09 3hp6A1 GLU 842 HB3 -0.06 0.06 0.05 -0.04 1.99 1.99 3hp6A1 GLU 842 HG2 -0.02 0.01 -0.02 -0.04 2.34 2.27 3hp6A1 GLU 842 HG3 -0.03 0.02 -0.15 -0.04 2.34 2.14 3hp6A1 ARG 843 H -0.13 0.19 -0.37 -0.55 8.46 7.60 3hp6A1 ARG 843 HA -0.09 0.12 0.50 -0.75 4.34 4.12 3hp6A1 ARG 843 HB2 -0.15 0.15 0.18 -0.04 1.90 2.04 3hp6A1 ARG 843 HB3 -0.13 0.01 0.02 -0.04 1.80 1.67 3hp6A1 ARG 843 HG2 -0.08 0.01 -0.01 -0.04 1.67 1.55 3hp6A1 ARG 843 HG3 -0.09 -0.02 0.01 -0.04 1.67 1.53 3hp6A1 ARG 843 HD2 -0.10 0.00 0.04 -0.04 3.22 3.12 3hp6A1 ARG 843 HD3 -0.08 0.03 0.01 -0.04 3.22 3.14 3hp6A1 LEU 844 H -0.25 0.54 0.05 -0.55 8.37 8.17 3hp6A1 LEU 844 HA -0.36 -0.02 0.30 -0.75 4.35 3.52 3hp6A1 LEU 844 HB2 -0.61 0.07 0.02 -0.04 1.64 1.08 3hp6A1 LEU 844 HB3 -1.30 -0.01 -0.06 -0.04 1.64 0.23 3hp6A1 LEU 844 HG -0.34 0.19 0.01 -0.04 1.64 1.46 3hp6A1 LEU 844 HD13 -0.42 -0.00 -0.17 -0.04 0.93 0.29 3hp6A1 LEU 844 HD23 -0.32 -0.01 -0.05 -0.04 0.89 0.47 3hp6A1 CYS 845 H -0.11 0.41 -0.48 -0.55 8.50 7.77 3hp6A1 CYS 845 HA 0.19 0.00 0.26 -0.75 4.58 4.27 3hp6A1 CYS 845 HB2 0.16 0.00 0.09 -0.04 2.97 3.19 3hp6A1 CYS 845 HB3 0.07 0.00 -0.04 -0.04 2.97 2.96 3hp6A1 ARG 846 H -0.12 0.53 -0.40 -0.55 8.46 7.92 3hp6A1 ARG 846 HA -0.11 0.16 0.87 -0.75 4.34 4.51 3hp6A1 ARG 846 HB2 -0.07 0.11 0.15 -0.04 1.90 2.05 3hp6A1 ARG 846 HB3 -0.06 -0.04 -0.00 -0.04 1.80 1.66 3hp6A1 ARG 846 HG2 -0.02 0.00 0.00 -0.04 1.67 1.62 3hp6A1 ARG 846 HG3 -0.01 0.04 -0.06 -0.04 1.67 1.59 3hp6A1 ARG 846 HD2 -0.01 -0.03 -0.01 -0.04 3.22 3.13 3hp6A1 ARG 846 HD3 -0.03 0.00 0.00 -0.04 3.22 3.15 3hp6A1 LEU 847 H -0.17 0.36 0.04 -0.55 8.37 8.06 3hp6A1 LEU 847 HA -0.11 0.09 0.36 -0.75 4.35 3.94 3hp6A1 LEU 847 HB2 -0.13 0.05 -0.01 -0.04 1.64 1.51 3hp6A1 LEU 847 HB3 -0.18 -0.08 0.04 -0.04 1.64 1.37 3hp6A1 LEU 847 HG -0.12 -0.01 -0.19 -0.04 1.64 1.28 3hp6A1 LEU 847 HD13 -0.08 -0.00 -0.04 -0.04 0.93 0.77 3hp6A1 LEU 847 HD23 -0.11 -0.00 -0.14 -0.04 0.89 0.60 3hp6A1 VAL 848 H -0.25 0.39 0.12 -0.55 8.24 7.95 3hp6A1 VAL 848 HA -0.14 0.01 0.33 -0.75 4.13 3.57 3hp6A1 VAL 848 HB -0.20 0.17 0.02 -0.04 2.12 2.07 3hp6A1 VAL 848 HG13 0.05 -0.01 -0.22 -0.04 0.97 0.75 3hp6A1 VAL 848 HG23 -0.42 -0.03 -0.01 -0.04 0.95 0.45 3hp6A1 PRO 849 HA -0.15 -0.00 0.27 -0.51 4.44 4.05 3hp6A1 PRO 849 HB2 -0.25 0.10 -0.13 -0.04 2.28 1.96 3hp6A1 PRO 849 HB3 -0.25 0.04 -0.02 -0.04 2.02 1.75 3hp6A1 PRO 849 HG2 -1.06 0.29 -0.06 -0.04 2.03 1.16 3hp6A1 PRO 849 HG3 -0.94 -0.04 -0.11 -0.04 2.03 0.90 3hp6A1 PRO 849 HD2 -0.28 0.06 -0.65 -0.04 3.68 2.77 3hp6A1 PRO 849 HD3 -0.22 0.10 -0.05 -0.04 3.65 3.43 3hp6A1 GLU 850 H -0.13 0.29 -0.47 -0.55 8.60 7.75 3hp6A1 GLU 850 HA -0.05 0.04 0.46 -0.75 4.29 3.99 3hp6A1 GLU 850 HB2 -0.06 0.06 0.11 -0.04 2.09 2.15 3hp6A1 GLU 850 HB3 -0.08 0.11 0.19 -0.04 1.99 2.18 3hp6A1 GLU 850 HG2 -0.04 0.00 -0.33 -0.04 2.34 1.94 3hp6A1 GLU 850 HG3 -0.03 -0.04 -0.02 -0.04 2.34 2.21 3hp6A1 VAL 851 H -0.07 0.62 0.01 -0.55 8.24 8.24 3hp6A1 VAL 851 HA -0.03 0.04 0.35 -0.75 4.13 3.74 3hp6A1 VAL 851 HB -0.06 0.05 0.10 -0.04 2.12 2.16 3hp6A1 VAL 851 HG13 -0.03 -0.02 -0.20 -0.04 0.97 0.68 3hp6A1 VAL 851 HG23 -0.05 0.01 -0.05 -0.04 0.95 0.82 3hp6A1 MET 852 H -0.07 0.54 -0.19 -0.55 8.47 8.20 3hp6A1 MET 852 HA 0.03 -0.04 0.29 -0.75 4.52 4.04 3hp6A1 MET 852 HB2 -0.14 0.31 0.07 -0.04 2.15 2.35 3hp6A1 MET 852 HB3 -0.21 0.06 -0.09 -0.04 2.03 1.74 3hp6A1 MET 852 HG2 -0.91 -0.06 -0.17 -0.04 2.63 1.45 3hp6A1 MET 852 HG3 -0.20 -0.04 -0.05 -0.04 2.56 2.22 3hp6A1 MET 852 HE3 -0.06 0.03 -0.10 -0.04 2.10 1.93 3hp6A1 GLU 853 H -0.02 0.47 -0.29 -0.55 8.60 8.21 3hp6A1 GLU 853 HA 0.14 -0.05 0.32 -0.75 4.29 3.95 3hp6A1 GLU 853 HB2 0.00 0.08 0.16 -0.04 2.09 2.28 3hp6A1 GLU 853 HB3 0.03 -0.03 0.11 -0.04 1.99 2.06 3hp6A1 GLU 853 HG2 0.05 -0.12 -0.23 -0.04 2.34 2.01 3hp6A1 GLU 853 HG3 -0.02 0.14 0.03 -0.04 2.34 2.44 3hp6A1 GLN 854 H 0.01 0.46 -0.27 -0.55 8.47 8.13 3hp6A1 GLN 854 HA 0.01 0.17 0.83 -0.75 4.36 4.62 3hp6A1 GLN 854 HB2 -0.00 0.10 0.05 -0.04 2.15 2.25 3hp6A1 GLN 854 HB3 -0.00 -0.07 0.11 -0.04 2.02 2.02 3hp6A1 GLN 854 HG2 0.00 -0.03 -0.03 -0.04 2.40 2.30 3hp6A1 GLN 854 HG3 -0.00 -0.00 -0.10 -0.04 2.39 2.25 3hp6A1 GLN 854 HE21 -0.01 -0.05 -0.03 -0.04 6.97 6.84 3hp6A1 GLN 854 HE22 -0.00 -0.01 -0.02 -0.04 7.69 7.62 3hp6A1 ALA 855 H 0.05 0.27 -0.29 -0.55 8.40 7.88 3hp6A1 ALA 855 HA 0.01 0.01 0.30 -0.75 4.34 3.90 3hp6A1 ALA 855 HB3 0.04 -0.03 0.06 -0.04 1.41 1.44 3hp6A1 VAL 856 H -0.01 0.20 -0.11 -0.55 8.24 7.76 3hp6A1 VAL 856 HA -0.03 0.20 0.65 -0.75 4.13 4.20 3hp6A1 VAL 856 HB -0.08 -0.02 0.05 -0.04 2.12 2.03 3hp6A1 VAL 856 HG13 -0.05 -0.01 -0.17 -0.04 0.97 0.70 3hp6A1 VAL 856 HG23 -0.12 -0.02 -0.22 -0.04 0.95 0.55 3hp6A1 THR 857 H -0.04 0.18 0.09 -0.55 8.28 7.96 3hp6A1 THR 857 HA -0.02 0.19 0.95 -0.75 4.39 4.75 3hp6A1 THR 857 HB -0.00 -0.04 0.13 -0.04 4.32 4.37 3hp6A1 THR 857 HG23 0.02 -0.00 -0.11 -0.04 1.22 1.08 3hp6A1 LEU 858 H -0.03 0.25 0.16 -0.55 8.37 8.20 3hp6A1 LEU 858 HA -0.09 0.20 0.93 -0.75 4.35 4.63 3hp6A1 LEU 858 HB2 -0.07 0.28 0.07 -0.04 1.64 1.87 3hp6A1 LEU 858 HB3 -0.13 -0.12 0.13 -0.04 1.64 1.48 3hp6A1 LEU 858 HG -0.18 -0.00 -0.29 -0.04 1.64 1.13 3hp6A1 LEU 858 HD13 -0.20 0.00 -0.13 -0.04 0.93 0.56 3hp6A1 LEU 858 HD23 -0.63 0.03 -0.12 -0.04 0.89 0.12 3hp6A1 ARG 859 H 0.79 0.13 0.14 -0.55 8.46 8.97 3hp6A1 ARG 859 HA 0.09 0.13 0.56 -0.75 4.34 4.36 3hp6A1 ARG 859 HB2 0.07 -0.04 0.07 -0.04 1.90 1.96 3hp6A1 ARG 859 HB3 0.03 -0.00 0.16 -0.04 1.80 1.94 3hp6A1 ARG 859 HG2 -0.00 0.01 0.04 -0.04 1.67 1.68 3hp6A1 ARG 859 HG3 -0.11 -0.02 0.08 -0.04 1.67 1.57 3hp6A1 ARG 859 HD2 -0.28 0.18 0.12 -0.04 3.22 3.20 3hp6A1 ARG 859 HD3 -0.08 -0.05 0.05 -0.04 3.22 3.10 3hp6A1 VAL 860 H 0.07 0.11 -0.48 -0.55 8.24 7.39 3hp6A1 VAL 860 HA 0.07 0.15 0.38 -0.75 4.13 3.97 3hp6A1 VAL 860 HB 0.12 0.05 0.07 -0.04 2.12 2.32 3hp6A1 VAL 860 HG13 0.16 -0.02 -0.10 -0.04 0.97 0.97 3hp6A1 VAL 860 HG23 -0.09 -0.01 -0.13 -0.04 0.95 0.68 3hp6A1 PRO 861 HA 0.01 0.12 0.64 -0.51 4.44 4.70 3hp6A1 PRO 861 HB2 0.04 0.08 -0.05 -0.04 2.28 2.31 3hp6A1 PRO 861 HB3 0.03 0.02 0.10 -0.04 2.02 2.13 3hp6A1 PRO 861 HG2 0.08 0.04 0.00 -0.04 2.03 2.11 3hp6A1 PRO 861 HG3 0.06 0.10 0.08 -0.04 2.03 2.24 3hp6A1 PRO 861 HD2 0.11 -0.00 -0.06 -0.04 3.68 3.68 3hp6A1 PRO 861 HD3 0.06 0.12 0.07 -0.04 3.65 3.86 3hp6A1 LEU 862 H 0.01 0.25 0.25 -0.55 8.37 8.34 3hp6A1 LEU 862 HA -0.02 0.08 0.87 -0.75 4.35 4.53 3hp6A1 LEU 862 HB2 0.07 0.20 0.25 -0.04 1.64 2.12 3hp6A1 LEU 862 HB3 0.19 -0.04 0.02 -0.04 1.64 1.77 3hp6A1 LEU 862 HG -0.06 0.00 -0.05 -0.04 1.64 1.48 3hp6A1 LEU 862 HD13 -0.04 0.05 0.01 -0.04 0.93 0.91 3hp6A1 LEU 862 HD23 -0.18 -0.02 0.01 -0.04 0.89 0.65 3hp6A1 LYS 863 H 0.08 0.16 0.18 -0.55 8.42 8.28 3hp6A1 LYS 863 HA 0.06 0.22 0.93 -0.75 4.32 4.79 3hp6A1 LYS 863 HB2 0.06 0.08 -0.07 -0.04 1.87 1.91 3hp6A1 LYS 863 HB3 0.07 -0.08 0.12 -0.04 1.79 1.86 3hp6A1 LYS 863 HG2 0.06 -0.03 -0.16 -0.04 1.46 1.29 3hp6A1 LYS 863 HG3 0.06 0.06 0.05 -0.04 1.46 1.59 3hp6A1 LYS 863 HD2 0.07 0.06 -0.02 -0.04 1.69 1.77 3hp6A1 LYS 863 HD3 0.08 -0.09 -0.04 -0.04 1.68 1.59 3hp6A1 LYS 863 HE2 0.05 -0.02 -0.06 -0.04 2.99 2.92 3hp6A1 LYS 863 HE3 0.05 0.04 -0.01 -0.04 2.99 3.03 3hp6A1 VAL 864 H 0.06 0.28 0.16 -0.55 8.24 8.18 3hp6A1 VAL 864 HA -0.02 0.28 1.01 -0.75 4.13 4.66 3hp6A1 VAL 864 HB -0.04 0.04 0.05 -0.04 2.12 2.12 3hp6A1 VAL 864 HG13 -0.05 -0.03 -0.31 -0.04 0.97 0.54 3hp6A1 VAL 864 HG23 -0.35 -0.02 -0.36 -0.04 0.95 0.18 3hp6A1 ASP 865 H 0.02 0.59 0.31 -0.55 8.40 8.78 3hp6A1 ASP 865 HA -0.05 0.18 0.93 -0.75 4.63 4.93 3hp6A1 ASP 865 HB2 0.01 -0.00 0.10 -0.04 2.71 2.78 3hp6A1 ASP 865 HB3 -0.10 0.05 0.03 -0.04 2.70 2.63 3hp6A1 TYR 866 H -0.84 0.25 0.23 -0.55 8.29 7.38 3hp6A1 TYR 866 HA -0.36 0.33 1.10 -0.75 4.56 4.88 3hp6A1 TYR 866 HB2 -0.36 -0.01 -0.06 -0.04 3.06 2.60 3hp6A1 TYR 866 HB3 -0.08 -0.02 -0.22 -0.04 2.98 2.62 3hp6A1 TYR 866 HD2 -0.00 -0.05 -0.25 -0.04 7.15 6.82 3hp6A1 TYR 866 HE2 0.03 0.01 0.06 -0.04 6.85 6.91 3hp6A1 HIS 867 H -0.45 0.72 0.39 -0.55 8.41 8.53 3hp6A1 HIS 867 HA -0.23 0.07 0.73 -0.75 4.63 4.46 3hp6A1 HIS 867 HB2 -0.14 0.25 -0.55 -0.04 3.26 2.78 3hp6A1 HIS 867 HB3 -0.20 -0.07 -0.13 -0.04 3.20 2.76 3hp6A1 HIS 867 HD2 -0.10 0.05 -0.20 -0.04 6.97 6.67 3hp6A1 HIS 867 HE1 -0.18 -0.06 0.02 -0.04 7.75 7.48 3hp6A1 TYR 868 H -0.35 0.22 0.23 -0.55 8.29 7.84 3hp6A1 TYR 868 HA -0.00 0.34 0.98 -0.75 4.56 5.12 3hp6A1 TYR 868 HB2 0.12 0.04 0.08 -0.04 3.06 3.26 3hp6A1 TYR 868 HB3 0.14 -0.05 -0.07 -0.04 2.98 2.96 3hp6A1 TYR 868 HD2 0.08 -0.02 -0.19 -0.04 7.15 6.99 3hp6A1 TYR 868 HE2 0.09 0.01 -0.06 -0.04 6.85 6.85 3hp6A1 GLY 869 H 0.24 0.61 0.34 -0.55 8.43 9.07 3hp6A1 GLY 869 HA2 0.12 0.04 0.40 -0.51 4.01 4.06 3hp6A1 GLY 869 HA3 0.07 0.06 0.27 -0.51 4.01 3.90 3hp6A1 SER 870 H 0.11 0.14 0.18 -0.55 8.46 8.34 3hp6A1 SER 870 HA 0.14 0.15 0.54 -0.75 4.49 4.56 3hp6A1 SER 870 HB2 0.09 0.06 0.20 -0.04 3.95 4.27 3hp6A1 SER 870 HB3 0.10 -0.01 0.14 -0.04 3.93 4.11 3hp6A1 THR 871 H 0.15 0.01 -0.15 -0.55 8.28 7.74 3hp6A1 THR 871 HA 0.19 0.33 0.59 -0.75 4.39 4.75 3hp6A1 THR 871 HB 0.22 0.20 0.24 -0.04 4.32 4.95 3hp6A1 THR 871 HG23 0.10 0.01 -0.07 -0.04 1.22 1.21 3hp6A1 TRP 872 H 0.43 0.72 0.28 -0.55 7.97 8.85 3hp6A1 TRP 872 HA 0.06 0.05 0.37 -0.75 4.62 4.34 3hp6A1 TRP 872 HB2 0.11 0.06 0.13 -0.04 3.23 3.49 3hp6A1 TRP 872 HB3 0.10 0.05 0.20 -0.04 3.23 3.55 3hp6A1 TRP 872 HD1 -0.01 0.00 -0.01 -0.04 7.22 7.16 3hp6A1 TRP 872 HE1 -0.05 -0.01 -0.11 -0.04 10.20 9.99 3hp6A1 TRP 872 HE3 -0.69 0.01 -0.02 -0.04 7.59 6.85 3hp6A1 TRP 872 HZ2 -0.09 -0.03 -0.12 -0.04 7.44 7.16 3hp6A1 TRP 872 HZ3 -0.99 -0.02 -0.06 -0.04 7.13 6.02 3hp6A1 TRP 872 HH2 -0.20 0.11 -0.04 -0.04 7.19 7.01 3hp6A1 TYR 873 H 0.33 0.41 -0.27 -0.55 8.29 8.21 3hp6A1 TYR 873 HA -0.12 0.10 0.19 -0.75 4.56 3.97 3hp6A1 TYR 873 HB2 -0.01 -0.10 -0.34 -0.04 3.06 2.56 3hp6A1 TYR 873 HB3 0.03 -0.06 -0.16 -0.04 2.98 2.76 3hp6A1 TYR 873 HD2 -0.05 0.09 -0.29 -0.04 7.15 6.85 3hp6A1 TYR 873 HE2 -0.05 -0.01 -0.16 -0.04 6.85 6.58 3hp6A1 ASP 874 H 0.23 0.05 -0.54 -0.55 8.40 7.59 3hp6A1 ASP 874 HA 0.00 0.07 0.28 -0.75 4.63 4.22 3hp6A1 ASP 874 HB2 0.13 -0.17 0.03 -0.04 2.71 2.66 3hp6A1 ASP 874 HB3 0.06 0.01 0.10 -0.04 2.70 2.83 3hp6A1 ALA 875 H 0.12 0.51 -0.54 -0.55 8.40 7.94 3hp6A1 ALA 875 HA 0.01 0.01 0.04 -0.75 4.34 3.65 3hp6A1 ALA 875 HB3 0.17 0.06 -0.04 -0.04 1.41 1.56 3hp6A1 LYS 876 H -0.18 0.56 -0.22 -0.55 8.42 8.02 3hp6A1 LYS 876 HA -0.44 0.15 0.46 -0.75 4.32 3.74 3hp6A1 LYS 876 HB2 -0.28 -0.05 -0.04 -0.04 1.87 1.46 3hp6A1 LYS 876 HB3 -0.25 0.14 -0.38 -0.04 1.79 1.25 3hp6A1 LYS 876 HG2 -0.30 -0.05 -0.01 -0.04 1.46 1.06 3hp6A1 LYS 876 HG3 -0.30 -0.06 -0.05 -0.04 1.46 1.01 3hp6A1 LYS 876 HD2 -0.41 0.52 -0.02 -0.04 1.69 1.74 3hp6A1 LYS 876 HD3 -0.24 0.05 -0.03 -0.04 1.68 1.41 3hp6A1 LYS 876 HE2 -0.44 -0.05 -0.06 -0.04 2.99 2.40 3hp6A1 LYS 876 HE3 -0.50 -0.05 -0.10 -0.04 2.99 2.30