============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 74 rings ring int. center anis. iso. TYR 21 0.840 46.078 38.063 34.371 -99.200 -91.000 TRP 28 1.040 36.023 53.922 29.554 -99.200 -91.000 TRP6 28 1.020 34.434 52.168 29.484 -99.200 -91.000 TRP 30 1.040 36.780 57.886 27.193 -99.200 -91.000 TRP6 30 1.020 34.527 57.349 27.690 -99.200 -91.000 PHE 42 1.000 30.990 53.858 -0.113 -99.200 -91.000 TYR 44 0.840 32.824 55.358 6.254 -99.200 -91.000 TYR 62 0.840 26.519 43.221 -2.114 -99.200 -91.000 PHE 63 1.000 28.791 49.046 -0.310 -99.200 -91.000 PHE 83 1.000 35.400 31.079 34.653 -99.200 -91.000 TRP 95 1.040 37.943 38.208 16.183 -99.200 -91.000 TRP6 95 1.020 39.034 38.023 14.095 -99.200 -91.000 HIS 96 0.900 30.471 39.495 14.237 -99.200 -91.000 HIS 100 0.900 31.367 48.849 28.678 -99.200 -91.000 HIS 111 0.900 20.074 40.700 49.114 -99.200 -91.000 TYR 112 0.840 26.466 35.472 47.204 -99.200 -91.000 TYR 153 0.840 36.110 41.550 33.112 -99.200 -91.000 HIS 154 0.900 30.789 48.220 33.428 -99.200 -91.000 TYR 156 0.840 26.147 44.961 36.670 -99.200 -91.000 PHE 169 1.000 34.718 44.422 40.223 -99.200 -91.000 HIS 178 0.900 26.149 48.971 35.617 -99.200 -91.000 TYR 183 0.840 20.790 47.657 41.878 -99.200 -91.000 TYR 187 0.840 15.813 50.442 41.719 -99.200 -91.000 PHE 196 1.000 22.929 57.256 49.333 -99.200 -91.000 TRP 208 1.040 44.741 54.062 43.376 -99.200 -91.000 TRP6 208 1.020 45.033 51.871 42.515 -99.200 -91.000 HIS 218 0.900 20.362 50.900 34.116 -99.200 -91.000 TRP 228 1.040 3.658 57.638 29.265 -99.200 -91.000 TRP6 228 1.020 3.094 55.347 29.172 -99.200 -91.000 HIS 238 0.900 20.519 59.337 34.904 -99.200 -91.000 PHE 244 1.000 27.573 59.796 47.397 -99.200 -91.000 TYR 271 0.840 5.561 64.784 19.617 -99.200 -91.000 TYR 276 0.840 14.962 61.131 30.341 -99.200 -91.000 PHE 284 1.000 22.060 64.908 34.823 -99.200 -91.000 TYR 287 0.840 28.240 65.186 35.723 -99.200 -91.000 TYR 297 0.840 7.139 50.034 27.839 -99.200 -91.000 HIS 309 0.900 17.277 46.368 20.865 -99.200 -91.000 TRP 337 1.040 20.064 30.912 22.598 -99.200 -91.000 TRP6 337 1.020 18.838 29.968 20.813 -99.200 -91.000 HIS 338 0.900 28.002 31.131 22.423 -99.200 -91.000 TYR 340 0.840 19.507 35.294 18.475 -99.200 -91.000 PHE 384 1.000 11.140 63.221 42.541 -99.200 -91.000 TYR 394 0.840 18.422 59.081 48.731 -99.200 -91.000 PHE 395 1.000 20.049 58.687 54.996 -99.200 -91.000 PHE 402 1.000 8.893 62.737 48.790 -99.200 -91.000 PHE 403 1.000 13.995 58.792 45.230 -99.200 -91.000 TYR 408 0.840 4.994 63.725 33.648 -99.200 -91.000 TYR 409 0.840 7.711 65.625 41.895 -99.200 -91.000 PHE 431 1.000 29.939 48.711 64.194 -99.200 -91.000 TYR 437 0.840 38.814 54.608 61.030 -99.200 -91.000 HIS 444 0.900 39.422 54.674 55.003 -99.200 -91.000 PHE 445 1.000 34.432 59.949 51.571 -99.200 -91.000 TYR 447 0.840 39.243 61.619 62.208 -99.200 -91.000 TYR 453 0.840 49.849 55.101 64.972 -99.200 -91.000 TYR 478 0.840 44.086 32.867 42.349 -99.200 -91.000 PHE 498 1.000 30.707 16.651 22.792 -99.200 -91.000 TRP 508 1.040 26.371 27.328 29.958 -99.200 -91.000 TRP6 508 1.020 24.919 26.374 31.555 -99.200 -91.000 PHE 519 1.000 1.759 29.768 8.043 -99.200 -91.000 PHE 529 1.000 -0.137 22.383 23.831 -99.200 -91.000 PHE 534 1.000 4.198 18.934 12.027 -99.200 -91.000 PHE 567 1.000 21.575 13.621 16.218 -99.200 -91.000 HIS 606 0.900 6.521 27.056 -25.794 -99.200 -91.000 HIS 618 0.900 14.606 38.564 -14.242 -99.200 -91.000 TYR 624 0.840 27.773 38.464 -16.922 -99.200 -91.000 HIS 629 0.900 24.011 40.070 -34.754 -99.200 -91.000 TYR 630 0.840 15.381 36.337 -29.973 -99.200 -91.000 HIS 660 0.900 4.383 15.114 -29.189 -99.200 -91.000 HIS 664 0.900 13.211 17.488 -25.659 -99.200 -91.000 TYR 665 0.840 17.222 15.558 -24.897 -99.200 -91.000 HIS 672 0.900 28.020 17.800 -33.897 -99.200 -91.000 PHE 707 1.000 24.110 26.361 -20.799 -99.200 -91.000 HIS 715 0.900 24.085 29.085 -14.231 -99.200 -91.000 PHE 719 1.000 29.505 27.050 -23.841 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3koyB1 LEU 5 HA 0.00 -0.06 0.14 -0.75 4.35 3.68 3koyB1 LEU 5 HB2 0.01 0.02 0.04 -0.04 1.64 1.67 3koyB1 LEU 5 HB3 0.00 -0.01 -0.04 -0.04 1.64 1.55 3koyB1 LEU 5 HG 0.00 -0.02 0.05 -0.04 1.64 1.64 3koyB1 LEU 5 HD13 0.01 0.00 0.01 -0.04 0.93 0.90 3koyB1 LEU 5 HD23 0.00 -0.01 0.07 -0.04 0.89 0.90 3koyB1 GLN 6 H 0.01 0.43 0.15 -0.55 8.47 8.51 3koyB1 GLN 6 HA 0.01 0.00 0.26 -0.75 4.36 3.87 3koyB1 LEU 7 H 0.01 0.03 0.07 -0.55 8.37 7.94 3koyB1 LEU 7 HA 0.03 -0.08 0.39 -0.75 4.35 3.94 3koyB1 LEU 7 HB2 0.02 0.16 -0.41 -0.04 1.64 1.36 3koyB1 LEU 7 HB3 0.05 0.06 0.02 -0.04 1.64 1.72 3koyB1 LEU 7 HG 0.03 -0.06 -0.10 -0.04 1.64 1.46 3koyB1 LEU 7 HD13 0.07 0.02 -0.29 -0.04 0.93 0.69 3koyB1 LEU 7 HD23 0.05 -0.02 -0.00 -0.04 0.89 0.88 3koyB1 ARG 8 H 0.04 0.26 0.13 -0.55 8.46 8.34 3koyB1 ARG 8 HA 0.06 0.24 0.89 -0.75 4.34 4.77 3koyB1 ARG 8 HB2 0.02 -0.05 0.00 -0.04 1.90 1.84 3koyB1 ARG 8 HB3 0.03 -0.01 -0.01 -0.04 1.80 1.77 3koyB1 ARG 8 HG2 0.02 0.23 -0.39 -0.04 1.67 1.50 3koyB1 ARG 8 HG3 0.02 -0.14 -0.34 -0.04 1.67 1.16 3koyB1 ARG 8 HD2 0.01 0.03 -0.13 -0.04 3.22 3.10 3koyB1 ARG 8 HD3 0.01 -0.04 -0.09 -0.04 3.22 3.06 3koyB1 VAL 9 H 0.09 0.21 0.13 -0.55 8.24 8.11 3koyB1 VAL 9 HA 0.12 0.11 0.09 -0.75 4.13 3.70 3koyB1 VAL 9 HB 0.20 0.06 0.04 -0.04 2.12 2.38 3koyB1 VAL 9 HG13 0.24 0.03 0.05 -0.04 0.97 1.25 3koyB1 VAL 9 HG23 0.07 -0.01 -0.08 -0.04 0.95 0.90 3koyB1 ASN 10 H 0.01 0.05 -0.20 -0.55 8.53 7.85 3koyB1 ASN 10 HA -0.05 0.22 0.80 -0.75 4.76 4.97 3koyB1 ASN 10 HB2 -0.02 0.00 0.17 -0.04 2.88 2.99 3koyB1 ASN 10 HB3 -0.01 0.02 0.03 -0.04 2.79 2.78 3koyB1 ASN 10 HD21 0.00 -0.01 -0.03 -0.04 7.03 6.95 3koyB1 ASN 10 HD22 -0.00 0.02 -0.00 -0.04 7.74 7.71 3koyB1 GLU 11 H -0.01 0.57 -0.41 -0.55 8.60 8.20 3koyB1 GLU 11 HA -0.02 0.10 0.93 -0.75 4.29 4.55 3koyB1 GLU 11 HB2 0.00 -0.10 -0.06 -0.04 2.09 1.90 3koyB1 GLU 11 HB3 0.00 -0.01 -0.03 -0.04 1.99 1.91 3koyB1 GLU 11 HG2 -0.01 0.01 -0.01 -0.04 2.34 2.30 3koyB1 GLU 11 HG3 -0.01 0.06 -0.06 -0.04 2.34 2.29 3koyB1 LYS 12 H -0.03 0.12 0.09 -0.55 8.42 8.05 3koyB1 LYS 12 HA -0.04 0.04 0.40 -0.75 4.32 3.97 3koyB1 LYS 12 HB2 -0.02 -0.02 0.09 -0.04 1.87 1.88 3koyB1 LYS 12 HB3 -0.03 0.05 -0.00 -0.04 1.79 1.77 3koyB1 LYS 12 HG2 -0.06 0.01 0.04 -0.04 1.46 1.42 3koyB1 LYS 12 HG3 -0.04 0.04 0.07 -0.04 1.46 1.48 3koyB1 LYS 12 HD2 -0.03 -0.02 0.04 -0.04 1.69 1.64 3koyB1 LYS 12 HD3 -0.05 -0.04 0.03 -0.04 1.68 1.59 3koyB1 LYS 12 HE2 -0.03 0.03 0.03 -0.04 2.99 2.98 3koyB1 LYS 12 HE3 -0.02 0.01 0.06 -0.04 2.99 3.00 3koyB1 LEU 13 H -0.02 0.10 0.17 -0.55 8.37 8.07 3koyB1 LEU 13 HA -0.00 0.07 0.47 -0.75 4.35 4.13 3koyB1 LEU 13 HB2 -0.02 -0.05 0.13 -0.04 1.64 1.66 3koyB1 LEU 13 HB3 -0.02 -0.07 -0.18 -0.04 1.64 1.33 3koyB1 LEU 13 HG 0.02 0.07 0.07 -0.04 1.64 1.75 3koyB1 LEU 13 HD13 0.00 -0.02 -0.06 -0.04 0.93 0.81 3koyB1 LEU 13 HD23 0.01 0.01 0.01 -0.04 0.89 0.88 3koyB1 ASP 14 H -0.01 0.21 0.13 -0.55 8.40 8.19 3koyB1 ASP 14 HA -0.01 0.17 0.93 -0.75 4.63 4.96 3koyB1 ASP 14 HB2 -0.01 0.16 0.12 -0.04 2.71 2.94 3koyB1 ASP 14 HB3 -0.01 0.02 0.23 -0.04 2.70 2.89 3koyB1 VAL 15 H -0.02 0.36 0.00 -0.55 8.24 8.03 3koyB1 VAL 15 HA -0.03 0.13 0.40 -0.75 4.13 3.88 3koyB1 VAL 15 HB -0.04 -0.04 0.11 -0.04 2.12 2.11 3koyB1 VAL 15 HG13 -0.09 -0.00 -0.13 -0.04 0.97 0.71 3koyB1 VAL 15 HG23 -0.05 0.06 -0.01 -0.04 0.95 0.91 3koyB1 GLU 16 H -0.02 0.14 -0.05 -0.55 8.60 8.12 3koyB1 GLU 16 HA -0.01 0.03 0.31 -0.75 4.29 3.87 3koyB1 GLU 16 HB2 -0.01 -0.02 0.10 -0.04 2.09 2.12 3koyB1 GLU 16 HB3 -0.01 0.08 -0.07 -0.04 1.99 1.95 3koyB1 GLU 16 HG2 -0.00 0.04 -0.04 -0.04 2.34 2.30 3koyB1 GLU 16 HG3 -0.00 -0.04 0.02 -0.04 2.34 2.27 3koyB1 ASN 17 H -0.01 0.02 -0.58 -0.55 8.53 7.41 3koyB1 ASN 17 HA -0.01 0.07 0.43 -0.75 4.76 4.50 3koyB1 ASN 17 HB2 -0.01 -0.09 0.05 -0.04 2.88 2.79 3koyB1 ASN 17 HB3 -0.01 0.13 0.06 -0.04 2.79 2.93 3koyB1 ASN 17 HD21 -0.01 0.04 -0.05 -0.04 7.03 6.97 3koyB1 ASN 17 HD22 -0.02 0.02 -0.13 -0.04 7.74 7.58 3koyB1 ILE 18 H -0.02 0.38 -0.04 -0.55 8.25 8.03 3koyB1 ILE 18 HA -0.05 0.12 0.46 -0.75 4.18 3.95 3koyB1 ILE 18 HB -0.02 -0.03 0.19 -0.04 1.89 1.98 3koyB1 ILE 18 HG12 -0.05 0.05 -0.00 -0.04 1.49 1.45 3koyB1 ILE 18 HG13 -0.03 0.23 0.09 -0.04 1.21 1.46 3koyB1 ILE 18 HG23 -0.06 -0.02 -0.08 -0.04 0.93 0.73 3koyB1 ILE 18 HD13 -0.03 -0.05 -0.07 -0.04 0.88 0.69 3koyB1 LEU 19 H 0.01 0.54 -0.16 -0.55 8.37 8.20 3koyB1 LEU 19 HA 0.05 0.02 0.43 -0.75 4.35 4.09 3koyB1 LEU 19 HB2 0.03 0.12 0.00 -0.04 1.64 1.76 3koyB1 LEU 19 HB3 0.07 -0.13 0.02 -0.04 1.64 1.57 3koyB1 LEU 19 HG 0.04 0.16 -0.07 -0.04 1.64 1.73 3koyB1 LEU 19 HD13 0.08 -0.05 -0.09 -0.04 0.93 0.83 3koyB1 LEU 19 HD23 0.23 -0.01 -0.08 -0.04 0.89 0.99 3koyB1 LYS 20 H -0.00 0.29 -0.55 -0.55 8.42 7.61 3koyB1 LYS 20 HA 0.00 -0.10 0.59 -0.75 4.32 4.05 3koyB1 LYS 20 HB2 -0.01 0.36 0.18 -0.04 1.87 2.36 3koyB1 LYS 20 HB3 -0.01 -0.06 0.01 -0.04 1.79 1.69 3koyB1 LYS 20 HG2 0.00 -0.10 0.03 -0.04 1.46 1.35 3koyB1 LYS 20 HG3 -0.00 0.20 0.12 -0.04 1.46 1.73 3koyB1 LYS 20 HD2 -0.00 0.00 0.01 -0.04 1.69 1.66 3koyB1 LYS 20 HD3 -0.00 -0.06 -0.01 -0.04 1.68 1.57 3koyB1 LYS 20 HE2 -0.01 0.05 0.05 -0.04 2.99 3.04 3koyB1 LYS 20 HE3 -0.00 0.00 -0.01 -0.04 2.99 2.94 3koyB1 ASP 21 H -0.02 0.05 0.18 -0.55 8.40 8.06 3koyB1 ASP 21 HA -0.05 -0.07 0.34 -0.75 4.63 4.09 3koyB1 ASP 21 HB2 -0.02 0.44 -0.13 -0.04 2.71 2.95 3koyB1 ASP 21 HB3 -0.02 -0.03 0.14 -0.04 2.70 2.74 3koyB1 LEU 22 H -0.06 0.21 -0.27 -0.55 8.37 7.71 3koyB1 LEU 22 HA -0.04 0.17 0.24 -0.75 4.35 3.96 3koyB1 LEU 22 HB2 -0.06 -0.12 0.06 -0.04 1.64 1.48 3koyB1 LEU 22 HB3 0.05 0.01 0.02 -0.04 1.64 1.68 3koyB1 LEU 22 HG 0.02 0.24 -0.02 -0.04 1.64 1.83 3koyB1 LEU 22 HD13 0.13 -0.03 0.04 -0.04 0.93 1.03 3koyB1 LEU 22 HD23 -0.04 0.01 -0.10 -0.04 0.89 0.72 3koyB1 ASP 23 H -0.37 -0.05 -0.41 -0.55 8.40 7.02 3koyB1 ASP 23 HA -0.84 0.06 0.36 -0.75 4.63 3.46 3koyB1 ASP 23 HB2 -0.18 0.07 0.00 -0.04 2.71 2.56 3koyB1 ASP 23 HB3 -0.45 -0.07 0.04 -0.04 2.70 2.18 3koyB1 LYS 24 H -0.09 0.36 -0.21 -0.55 8.42 7.92 3koyB1 LYS 24 HA -0.03 0.12 0.57 -0.75 4.32 4.22 3koyB1 LYS 24 HB2 -0.02 -0.02 0.12 -0.04 1.87 1.90 3koyB1 LYS 24 HB3 0.00 0.02 0.14 -0.04 1.79 1.91 3koyB1 LYS 24 HG2 -0.01 0.02 0.04 -0.04 1.46 1.47 3koyB1 LYS 24 HG3 -0.03 -0.01 -0.06 -0.04 1.46 1.33 3koyB1 LYS 24 HD2 -0.01 0.02 0.02 -0.04 1.69 1.68 3koyB1 LYS 24 HD3 -0.01 -0.01 0.00 -0.04 1.68 1.62 3koyB1 LYS 24 HE2 -0.02 0.01 -0.03 -0.04 2.99 2.90 3koyB1 LYS 24 HE3 -0.04 -0.06 -0.02 -0.04 2.99 2.83 3koyB1 TYR 25 H 0.03 0.32 -0.68 -0.55 8.29 7.40 3koyB1 TYR 25 HA -0.03 0.09 0.54 -0.75 4.56 4.41 3koyB1 TYR 25 HB2 -0.04 -0.05 -0.05 -0.04 3.06 2.88 3koyB1 TYR 25 HB3 -0.04 0.15 0.11 -0.04 2.98 3.17 3koyB1 TYR 25 HD2 -0.00 -0.05 -0.03 -0.04 7.15 7.02 3koyB1 TYR 25 HE2 -0.02 -0.00 -0.05 -0.04 6.85 6.74 3koyB1 THR 26 H -0.46 0.20 0.14 -0.55 8.28 7.62 3koyB1 THR 26 HA -0.42 0.20 0.82 -0.75 4.39 4.24 3koyB1 THR 26 HB -0.13 -0.05 -0.03 -0.04 4.32 4.06 3koyB1 THR 26 HG23 -0.11 -0.00 -0.24 -0.04 1.22 0.83 3koyB1 PRO 27 HA -0.13 -0.02 0.46 -0.51 4.44 4.24 3koyB1 PRO 27 HB2 -0.05 -0.00 -0.04 -0.04 2.28 2.14 3koyB1 PRO 27 HB3 -0.03 0.17 0.03 -0.04 2.02 2.15 3koyB1 PRO 27 HG2 -0.03 0.13 -0.15 -0.04 2.03 1.94 3koyB1 PRO 27 HG3 -0.08 0.15 -0.11 -0.04 2.03 1.95 3koyB1 PRO 27 HD2 -0.15 0.12 0.17 -0.04 3.68 3.78 3koyB1 PRO 27 HD3 -0.33 0.11 0.09 -0.04 3.65 3.48 3koyB1 LYS 28 H 0.01 0.13 0.22 -0.55 8.42 8.22 3koyB1 LYS 28 HA -0.02 0.08 0.53 -0.75 4.32 4.15 3koyB1 LYS 28 HB2 0.01 -0.00 0.14 -0.04 1.87 1.97 3koyB1 LYS 28 HB3 -0.01 0.00 0.06 -0.04 1.79 1.81 3koyB1 LYS 28 HG2 0.01 -0.01 0.08 -0.04 1.46 1.50 3koyB1 LYS 28 HG3 0.06 0.01 0.10 -0.04 1.46 1.59 3koyB1 LYS 28 HD2 0.02 -0.00 0.03 -0.04 1.69 1.70 3koyB1 LYS 28 HD3 0.00 0.00 0.03 -0.04 1.68 1.67 3koyB1 LYS 28 HE2 0.04 -0.02 0.00 -0.04 2.99 2.97 3koyB1 LYS 28 HE3 0.01 0.03 -0.02 -0.04 2.99 2.97 3koyB1 ARG 29 H -0.02 0.13 -0.27 -0.55 8.46 7.74 3koyB1 ARG 29 HA -0.04 0.04 0.39 -0.75 4.34 3.98 3koyB1 ARG 29 HB2 -0.05 0.05 0.06 -0.04 1.90 1.91 3koyB1 ARG 29 HB3 -0.04 0.16 -0.14 -0.04 1.80 1.74 3koyB1 ARG 29 HG2 -0.03 -0.15 -0.15 -0.04 1.67 1.30 3koyB1 ARG 29 HG3 -0.05 0.11 -0.29 -0.04 1.67 1.39 3koyB1 ARG 29 HD2 -0.06 0.03 -0.11 -0.04 3.22 3.04 3koyB1 ARG 29 HD3 -0.04 -0.02 -0.14 -0.04 3.22 2.97 3koyB1 ARG 30 H -0.06 0.13 0.14 -0.55 8.46 8.12 3koyB1 ARG 30 HA -0.02 0.17 0.83 -0.75 4.34 4.56 3koyB1 ARG 30 HB2 -0.13 -0.03 0.00 -0.04 1.90 1.70 3koyB1 ARG 30 HB3 -0.10 0.08 0.10 -0.04 1.80 1.84 3koyB1 ARG 30 HG2 -0.02 0.05 -0.26 -0.04 1.67 1.40 3koyB1 ARG 30 HG3 -0.06 -0.06 -0.08 -0.04 1.67 1.42 3koyB1 ARG 30 HD2 -0.13 -0.06 -0.01 -0.04 3.22 2.98 3koyB1 ARG 30 HD3 -0.15 0.02 0.02 -0.04 3.22 3.08 3koyB1 GLY 31 H -0.02 0.13 0.06 -0.55 8.43 8.06 3koyB1 GLY 31 HA2 -0.00 0.28 0.38 -0.51 4.01 4.16 3koyB1 GLY 31 HA3 -0.04 0.04 0.52 -0.51 4.01 4.02 3koyB1 TRP 32 H 0.10 0.32 0.30 -0.55 7.97 8.15 3koyB1 TRP 32 HA -0.23 0.02 0.72 -0.75 4.62 4.37 3koyB1 TRP 32 HB2 -0.26 0.16 0.20 -0.04 3.23 3.28 3koyB1 TRP 32 HB3 -0.32 0.02 0.11 -0.04 3.23 2.99 3koyB1 TRP 32 HD1 -1.60 -0.04 -0.39 -0.04 7.22 5.16 3koyB1 TRP 32 HE1 -3.10 -0.04 -0.20 -0.04 10.20 6.82 3koyB1 TRP 32 HE3 -0.24 0.10 -0.31 -0.04 7.59 7.10 3koyB1 TRP 32 HZ2 -0.43 -0.03 -0.09 -0.04 7.44 6.84 3koyB1 TRP 32 HZ3 -0.40 -0.08 -0.24 -0.04 7.13 6.36 3koyB1 TRP 32 HH2 -1.57 -0.08 -0.17 -0.04 7.19 5.33 3koyB1 THR 33 H -1.26 0.16 0.13 -0.55 8.28 6.76 3koyB1 THR 33 HA -0.31 0.17 0.97 -0.75 4.39 4.46 3koyB1 THR 33 HB -0.24 0.10 -0.07 -0.04 4.32 4.06 3koyB1 THR 33 HG23 -0.16 0.01 -0.15 -0.04 1.22 0.88 3koyB1 TRP 34 H 0.02 0.14 0.12 -0.55 7.97 7.70 3koyB1 TRP 34 HA -0.01 0.10 0.87 -0.75 4.62 4.83 3koyB1 TRP 34 HB2 0.04 -0.00 0.04 -0.04 3.23 3.26 3koyB1 TRP 34 HB3 0.07 0.09 0.09 -0.04 3.23 3.44 3koyB1 TRP 34 HD1 0.10 -0.00 0.00 -0.04 7.22 7.28 3koyB1 TRP 34 HE1 0.12 -0.00 -0.06 -0.04 10.20 10.22 3koyB1 TRP 34 HE3 0.27 0.05 0.05 -0.04 7.59 7.93 3koyB1 TRP 34 HZ2 -0.13 0.29 0.03 -0.04 7.44 7.59 3koyB1 TRP 34 HZ3 0.18 -0.06 -0.28 -0.04 7.13 6.93 3koyB1 TRP 34 HH2 -0.21 -0.08 -0.12 -0.04 7.19 6.73 3koyB1 ARG 35 H 0.25 0.09 0.16 -0.55 8.46 8.41 3koyB1 ARG 35 HA 0.03 0.05 0.44 -0.75 4.34 4.11 3koyB1 ARG 35 HB2 0.09 0.22 0.09 -0.04 1.90 2.27 3koyB1 ARG 35 HB3 0.03 0.03 -0.03 -0.04 1.80 1.79 3koyB1 ARG 35 HG2 -0.01 0.01 -0.03 -0.04 1.67 1.60 3koyB1 ARG 35 HG3 0.05 -0.16 -0.01 -0.04 1.67 1.51 3koyB1 ARG 35 HD2 0.05 0.19 -0.43 -0.04 3.22 2.98 3koyB1 ARG 35 HD3 0.01 0.03 -0.12 -0.04 3.22 3.10 3koyB1 GLN 36 H 0.02 0.14 0.19 -0.55 8.47 8.27 3koyB1 GLN 36 HA 0.04 0.16 0.74 -0.75 4.36 4.55 3koyB1 GLN 36 HB2 0.01 0.01 0.17 -0.04 2.15 2.30 3koyB1 GLN 36 HB3 0.00 -0.04 0.11 -0.04 2.02 2.06 3koyB1 GLN 36 HG2 0.01 -0.05 0.06 -0.04 2.40 2.37 3koyB1 GLN 36 HG3 0.01 0.05 0.08 -0.04 2.39 2.49 3koyB1 GLN 36 HE21 0.04 -0.04 0.03 -0.04 6.97 6.96 3koyB1 GLN 36 HE22 0.02 -0.04 0.06 -0.04 7.69 7.69 3koyB1 PRO 37 HA 0.01 0.16 0.56 -0.51 4.44 4.66 3koyB1 PRO 37 HB2 0.00 -0.07 0.04 -0.04 2.28 2.21 3koyB1 PRO 37 HB3 0.00 0.02 0.06 -0.04 2.02 2.06 3koyB1 PRO 37 HG2 -0.01 -0.03 0.09 -0.04 2.03 2.03 3koyB1 PRO 37 HG3 -0.01 0.07 0.05 -0.04 2.03 2.10 3koyB1 PRO 37 HD2 0.01 0.02 0.27 -0.04 3.68 3.94 3koyB1 PRO 37 HD3 0.02 0.44 0.24 -0.04 3.65 4.31 3koyB1 ALA 38 H 0.01 0.78 0.22 -0.55 8.40 8.86 3koyB1 ALA 38 HA 0.01 0.08 0.71 -0.75 4.34 4.39 3koyB1 ALA 38 HB3 0.00 0.01 -0.25 -0.04 1.41 1.13 3koyB1 GLU 39 H 0.01 0.11 -0.04 -0.55 8.60 8.14 3koyB1 GLU 39 HA 0.02 0.07 0.40 -0.75 4.29 4.02 3koyB1 GLU 39 HB2 0.01 0.00 0.04 -0.04 2.09 2.10 3koyB1 GLU 39 HB3 0.01 -0.02 0.03 -0.04 1.99 1.98 3koyB1 GLU 39 HG2 0.01 0.01 0.00 -0.04 2.34 2.32 3koyB1 GLU 39 HG3 0.00 -0.01 0.02 -0.04 2.34 2.31 3koyB1 ASN 40 H 0.03 0.12 0.23 -0.55 8.53 8.37 3koyB1 ASN 40 HA 0.05 0.12 0.38 -0.75 4.76 4.55 3koyB1 ASN 40 HB2 0.02 0.03 -0.12 -0.04 2.88 2.77 3koyB1 ASN 40 HB3 0.02 -0.02 0.13 -0.04 2.79 2.88 3koyB1 ASN 40 HD21 0.01 -0.00 0.02 -0.04 7.03 7.02 3koyB1 ASN 40 HD22 0.01 -0.03 -0.09 -0.04 7.74 7.59 3koyB1 LEU 41 H 0.10 0.20 -0.11 -0.55 8.37 8.01 3koyB1 LEU 41 HA 0.06 0.10 0.47 -0.75 4.35 4.23 3koyB1 LEU 41 HB2 0.05 0.16 -0.16 -0.04 1.64 1.65 3koyB1 LEU 41 HB3 0.10 -0.13 0.02 -0.04 1.64 1.59 3koyB1 LEU 41 HG 0.06 0.05 -0.38 -0.04 1.64 1.33 3koyB1 LEU 41 HD13 0.02 -0.02 -0.02 -0.04 0.93 0.87 3koyB1 LEU 41 HD23 -0.02 -0.01 -0.12 -0.04 0.89 0.70 3koyB1 GLN 42 H 0.06 0.13 0.21 -0.55 8.47 8.32 3koyB1 GLN 42 HA 0.11 0.26 0.85 -0.75 4.36 4.82 3koyB1 GLN 42 HB2 0.04 -0.04 0.08 -0.04 2.15 2.18 3koyB1 GLN 42 HB3 0.04 -0.08 0.16 -0.04 2.02 2.10 3koyB1 GLN 42 HG2 0.02 -0.11 -0.13 -0.04 2.40 2.13 3koyB1 GLN 42 HG3 0.04 0.25 -0.17 -0.04 2.39 2.47 3koyB1 GLN 42 HE21 -0.02 -0.11 -0.13 -0.04 6.97 6.66 3koyB1 GLN 42 HE22 -0.03 0.26 -0.25 -0.04 7.69 7.63 3koyB1 MET 43 H 0.24 0.50 0.16 -0.55 8.47 8.83 3koyB1 MET 43 HA 0.09 0.12 0.70 -0.75 4.52 4.68 3koyB1 MET 43 HB2 0.36 -0.04 -0.00 -0.04 2.15 2.43 3koyB1 MET 43 HB3 0.12 -0.06 -0.01 -0.04 2.03 2.04 3koyB1 MET 43 HG2 0.05 0.17 -0.14 -0.04 2.63 2.67 3koyB1 MET 43 HG3 0.07 0.00 -0.36 -0.04 2.56 2.23 3koyB1 MET 43 HE3 -0.11 0.01 -0.03 -0.04 2.10 1.93 3koyB1 GLY 44 H 0.06 0.11 0.08 -0.55 8.43 8.14 3koyB1 GLY 44 HA2 0.01 -0.00 0.31 -0.51 4.01 3.81 3koyB1 GLY 44 HA3 0.03 0.12 0.49 -0.51 4.01 4.14 3koyB1 PRO 45 HA -0.21 0.05 0.23 -0.51 4.44 4.01 3koyB1 PRO 45 HB2 -1.14 0.01 -0.01 -0.04 2.28 1.09 3koyB1 PRO 45 HB3 -0.33 -0.02 0.10 -0.04 2.02 1.72 3koyB1 PRO 45 HG2 -0.59 0.03 0.09 -0.04 2.03 1.52 3koyB1 PRO 45 HG3 -0.19 -0.01 0.08 -0.04 2.03 1.87 3koyB1 PRO 45 HD2 -0.65 0.14 0.23 -0.04 3.68 3.36 3koyB1 PRO 45 HD3 -0.08 0.10 0.25 -0.04 3.65 3.87 3koyB1 PHE 46 H -0.15 0.49 -0.21 -0.55 8.34 7.92 3koyB1 PHE 46 HA -0.11 0.11 0.57 -0.75 4.62 4.43 3koyB1 PHE 46 HB2 -0.29 0.06 -0.01 -0.04 3.15 2.87 3koyB1 PHE 46 HB3 -0.41 -0.01 0.08 -0.04 3.06 2.68 3koyB1 PHE 46 HD2 -0.08 0.05 -0.04 -0.04 7.28 7.17 3koyB1 PHE 46 HE2 -0.32 -0.02 -0.01 -0.04 7.38 6.99 3koyB1 PHE 46 HZ 0.02 -0.02 -0.01 -0.04 7.32 7.26 3koyB1 ILE 47 H -0.10 0.17 0.18 -0.55 8.25 7.95 3koyB1 ILE 47 HA 0.02 0.33 0.75 -0.75 4.18 4.53 3koyB1 ILE 47 HB -0.04 -0.07 0.00 -0.04 1.89 1.74 3koyB1 ILE 47 HG12 0.02 0.12 -0.19 -0.04 1.49 1.39 3koyB1 ILE 47 HG13 -0.00 -0.03 -0.26 -0.04 1.21 0.88 3koyB1 ILE 47 HG23 0.02 0.01 -0.27 -0.04 0.93 0.65 3koyB1 ILE 47 HD13 0.00 -0.01 -0.08 -0.04 0.88 0.75 3koyB1 TYR 48 H 0.18 0.39 0.10 -0.55 8.29 8.41 3koyB1 TYR 48 HA -0.00 0.18 0.98 -0.75 4.56 4.97 3koyB1 TYR 48 HB2 0.01 0.07 0.05 -0.04 3.06 3.15 3koyB1 TYR 48 HB3 -0.00 -0.11 -0.04 -0.04 2.98 2.79 3koyB1 TYR 48 HD2 0.00 0.15 -0.06 -0.04 7.15 7.20 3koyB1 TYR 48 HE2 0.01 0.04 -0.10 -0.04 6.85 6.75 3koyB1 LYS 49 H 0.06 0.18 0.11 -0.55 8.42 8.22 3koyB1 LYS 49 HA 0.04 0.11 0.80 -0.75 4.32 4.51 3koyB1 LYS 49 HB2 0.02 -0.08 0.11 -0.04 1.87 1.88 3koyB1 LYS 49 HB3 0.02 0.03 0.11 -0.04 1.79 1.90 3koyB1 LYS 49 HG2 -0.01 0.03 -0.02 -0.04 1.46 1.43 3koyB1 LYS 49 HG3 -0.00 0.03 0.05 -0.04 1.46 1.49 3koyB1 LYS 49 HD2 0.00 0.00 0.03 -0.04 1.69 1.68 3koyB1 LYS 49 HD3 0.01 -0.00 -0.05 -0.04 1.68 1.60 3koyB1 LYS 49 HE2 -0.01 0.01 -0.02 -0.04 2.99 2.93 3koyB1 LYS 49 HE3 -0.01 -0.01 -0.04 -0.04 2.99 2.90 3koyB1 ASP 50 H 0.09 0.05 -0.05 -0.55 8.40 7.94 3koyB1 ASP 50 HA 0.03 0.31 0.97 -0.75 4.63 5.18 3koyB1 ASP 50 HB2 0.04 -0.03 0.18 -0.04 2.71 2.86 3koyB1 ASP 50 HB3 0.02 0.07 0.21 -0.04 2.70 2.95 3koyB1 ALA 51 H 0.05 0.16 -0.24 -0.55 8.40 7.83 3koyB1 ALA 51 HA -0.02 0.26 0.96 -0.75 4.34 4.78 3koyB1 ALA 51 HB3 -0.08 0.01 0.01 -0.04 1.41 1.31 3koyB1 SER 52 H -0.04 0.84 0.24 -0.55 8.46 8.96 3koyB1 SER 52 HA -0.00 -0.05 0.85 -0.75 4.49 4.53 3koyB1 SER 52 HB2 0.00 0.03 0.02 -0.04 3.95 3.96 3koyB1 SER 52 HB3 0.01 -0.10 -0.29 -0.04 3.93 3.51 3koyB1 THR 53 H -0.01 0.41 0.11 -0.55 8.28 8.24 3koyB1 THR 53 HA -0.02 -0.01 0.42 -0.75 4.39 4.02 3koyB1 THR 53 HB -0.03 -0.06 0.12 -0.04 4.32 4.31 3koyB1 THR 53 HG23 -0.03 0.05 -0.06 -0.04 1.22 1.13 3koyB1 PRO 54 HA -0.06 0.10 0.69 -0.51 4.44 4.65 3koyB1 PRO 54 HB2 -0.05 0.13 -0.02 -0.04 2.28 2.30 3koyB1 PRO 54 HB3 -0.05 -0.06 0.10 -0.04 2.02 1.97 3koyB1 PRO 54 HG2 -0.03 0.03 0.04 -0.04 2.03 2.02 3koyB1 PRO 54 HG3 -0.03 -0.02 0.05 -0.04 2.03 1.99 3koyB1 PRO 54 HD2 -0.03 0.02 0.23 -0.04 3.68 3.86 3koyB1 PRO 54 HD3 -0.03 0.15 0.16 -0.04 3.65 3.88 3koyB1 LEU 55 H -0.08 0.11 0.12 -0.55 8.37 7.98 3koyB1 LEU 55 HA -0.11 0.18 0.52 -0.75 4.35 4.19 3koyB1 LEU 55 HB2 -0.13 -0.09 -0.03 -0.04 1.64 1.35 3koyB1 LEU 55 HB3 -0.21 0.02 -0.09 -0.04 1.64 1.32 3koyB1 LEU 55 HG -0.09 -0.03 -0.02 -0.04 1.64 1.46 3koyB1 LEU 55 HD13 -0.14 0.00 -0.05 -0.04 0.93 0.70 3koyB1 LEU 55 HD23 -0.12 0.03 -0.19 -0.04 0.89 0.57 3koyB1 GLU 56 H -0.14 0.45 0.28 -0.55 8.60 8.64 3koyB1 GLU 56 HA -0.09 0.04 0.66 -0.75 4.29 4.16 3koyB1 GLU 56 HB2 -0.12 0.13 0.02 -0.04 2.09 2.08 3koyB1 GLU 56 HB3 -0.09 -0.05 0.01 -0.04 1.99 1.81 3koyB1 GLU 56 HG2 -0.05 -0.10 0.06 -0.04 2.34 2.21 3koyB1 GLU 56 HG3 -0.07 0.04 0.01 -0.04 2.34 2.28 3koyB1 ASN 57 H -0.32 0.35 0.02 -0.55 8.53 8.04 3koyB1 ASN 57 HA -0.25 0.09 0.72 -0.75 4.76 4.56 3koyB1 ASN 57 HB2 -0.61 0.10 -0.01 -0.04 2.88 2.32 3koyB1 ASN 57 HB3 -1.13 -0.08 -0.04 -0.04 2.79 1.50 3koyB1 ASN 57 HD21 -0.06 -0.10 -0.09 -0.04 7.03 6.73 3koyB1 ASN 57 HD22 -0.17 0.14 -0.24 -0.04 7.74 7.43 3koyB1 SER 58 H -0.13 0.13 0.01 -0.55 8.46 7.92 3koyB1 SER 58 HA -0.22 0.30 0.98 -0.75 4.49 4.79 3koyB1 SER 58 HB2 -0.05 0.06 0.04 -0.04 3.95 3.96 3koyB1 SER 58 HB3 -0.13 0.01 -0.13 -0.04 3.93 3.64 3koyB1 VAL 59 H 0.01 0.58 0.09 -0.55 8.24 8.37 3koyB1 VAL 59 HA 0.08 0.07 0.57 -0.75 4.13 4.10 3koyB1 VAL 59 HB -0.62 -0.01 -0.02 -0.04 2.12 1.43 3koyB1 VAL 59 HG13 -0.06 0.01 -0.11 -0.04 0.97 0.76 3koyB1 VAL 59 HG23 0.21 -0.01 -0.16 -0.04 0.95 0.94 3koyB1 ALA 60 H 0.02 0.09 -0.04 -0.55 8.40 7.93 3koyB1 ALA 60 HA 0.01 0.10 0.39 -0.75 4.34 4.09 3koyB1 ALA 60 HB3 0.04 0.03 -0.06 -0.04 1.41 1.38 3koyB1 LEU 61 H 0.05 0.17 0.14 -0.55 8.37 8.18 3koyB1 LEU 61 HA 0.08 0.12 0.45 -0.75 4.35 4.25 3koyB1 LEU 61 HB2 0.10 0.01 0.06 -0.04 1.64 1.77 3koyB1 LEU 61 HB3 0.10 -0.15 -0.01 -0.04 1.64 1.54 3koyB1 LEU 61 HG 0.06 0.12 0.07 -0.04 1.64 1.85 3koyB1 LEU 61 HD13 0.07 -0.00 -0.02 -0.04 0.93 0.93 3koyB1 LEU 61 HD23 0.09 0.03 0.06 -0.04 0.89 1.03 3koyB1 PRO 62 HA 0.04 0.13 0.37 -0.51 4.44 4.46 3koyB1 PRO 62 HB2 0.07 -0.04 0.09 -0.04 2.28 2.36 3koyB1 PRO 62 HB3 0.04 0.03 0.09 -0.04 2.02 2.14 3koyB1 PRO 62 HG2 0.07 -0.00 0.09 -0.04 2.03 2.15 3koyB1 PRO 62 HG3 0.07 0.08 0.11 -0.04 2.03 2.25 3koyB1 PRO 62 HD2 0.09 0.05 0.19 -0.04 3.68 3.97 3koyB1 PRO 62 HD3 0.10 0.23 0.22 -0.04 3.65 4.16 3koyB1 SER 63 H 0.11 0.13 -0.27 -0.55 8.46 7.89 3koyB1 SER 63 HA 0.07 0.06 0.22 -0.75 4.49 4.10 3koyB1 SER 63 HB2 0.19 0.02 0.04 -0.04 3.95 4.15 3koyB1 SER 63 HB3 0.34 0.04 0.08 -0.04 3.93 4.36 3koyB1 ALA 64 H 0.09 0.72 -0.79 -0.55 8.40 7.87 3koyB1 ALA 64 HA 0.36 0.08 0.40 -0.75 4.34 4.42 3koyB1 ALA 64 HB3 0.12 0.02 -0.06 -0.04 1.41 1.45 3koyB1 LYS 65 H -0.09 0.41 -0.15 -0.55 8.42 8.04 3koyB1 LYS 65 HA -0.08 0.02 0.39 -0.75 4.32 3.90 3koyB1 LYS 65 HB2 -0.22 -0.02 0.07 -0.04 1.87 1.66 3koyB1 LYS 65 HB3 -0.15 0.09 0.12 -0.04 1.79 1.81 3koyB1 LYS 65 HG2 -0.48 0.07 0.03 -0.04 1.46 1.04 3koyB1 LYS 65 HG3 -1.06 -0.02 -0.13 -0.04 1.46 0.21 3koyB1 LYS 65 HD2 -0.26 -0.03 -0.03 -0.04 1.69 1.33 3koyB1 LYS 65 HD3 -0.19 0.05 0.01 -0.04 1.68 1.52 3koyB1 LYS 65 HE2 -0.21 0.00 -0.06 -0.04 2.99 2.68 3koyB1 LYS 65 HE3 -0.75 -0.02 -0.05 -0.04 2.99 2.13 3koyB1 TYR 66 H -0.33 0.31 -0.42 -0.55 8.29 7.30 3koyB1 TYR 66 HA -0.19 0.07 0.49 -0.75 4.56 4.16 3koyB1 TYR 66 HB2 -1.08 0.11 -0.01 -0.04 3.06 2.03 3koyB1 TYR 66 HB3 -0.51 -0.03 0.12 -0.04 2.98 2.52 3koyB1 TYR 66 HD2 -0.13 0.15 0.04 -0.04 7.15 7.17 3koyB1 TYR 66 HE2 -0.02 -0.03 -0.01 -0.04 6.85 6.74 3koyB1 PHE 67 H 0.07 0.63 -0.43 -0.55 8.34 8.05 3koyB1 PHE 67 HA 0.11 0.21 0.97 -0.75 4.62 5.15 3koyB1 PHE 67 HB2 0.22 0.02 0.13 -0.04 3.15 3.48 3koyB1 PHE 67 HB3 0.30 -0.00 0.17 -0.04 3.06 3.48 3koyB1 PHE 67 HD2 0.28 0.03 -0.02 -0.04 7.28 7.52 3koyB1 PHE 67 HE2 0.23 -0.02 -0.04 -0.04 7.38 7.51 3koyB1 PHE 67 HZ 0.08 -0.04 -0.04 -0.04 7.32 7.28 3koyB1 GLY 68 H 0.06 0.24 -0.12 -0.55 8.43 8.06 3koyB1 GLY 68 HA2 0.04 0.02 0.31 -0.51 4.01 3.87 3koyB1 GLY 68 HA3 0.07 0.03 0.31 -0.51 4.01 3.91 3koyB1 ASP 69 H 0.07 0.21 -0.25 -0.55 8.40 7.89 3koyB1 ASP 69 HA 0.07 -0.04 -0.03 -0.75 4.63 3.88 3koyB1 ASP 69 HB2 0.03 0.04 -0.30 -0.04 2.71 2.44 3koyB1 ASP 69 HB3 0.04 0.02 0.11 -0.04 2.70 2.82 3koyB1 ILE 70 H 0.15 0.24 -0.50 -0.55 8.25 7.59 3koyB1 ILE 70 HA 0.06 0.05 0.32 -0.75 4.18 3.85 3koyB1 ILE 70 HB 0.09 -0.02 -0.04 -0.04 1.89 1.87 3koyB1 ILE 70 HG12 0.25 0.09 0.03 -0.04 1.49 1.81 3koyB1 ILE 70 HG13 0.17 -0.05 -0.15 -0.04 1.21 1.14 3koyB1 ILE 70 HG23 0.12 0.03 -0.12 -0.04 0.93 0.92 3koyB1 ILE 70 HD13 0.33 -0.02 -0.08 -0.04 0.88 1.07 3koyB1 ASP 71 H 0.01 0.14 0.01 -0.55 8.40 8.01 3koyB1 ASP 71 HA 0.01 0.08 0.64 -0.75 4.63 4.60 3koyB1 ASP 71 HB2 0.01 -0.03 -0.13 -0.04 2.71 2.52 3koyB1 ASP 71 HB3 -0.02 0.00 0.08 -0.04 2.70 2.72 3koyB1 PRO 72 HA -0.16 0.08 0.38 -0.51 4.44 4.23 3koyB1 PRO 72 HB2 -0.51 0.04 -0.14 -0.04 2.28 1.63 3koyB1 PRO 72 HB3 -0.63 0.01 -0.01 -0.04 2.02 1.35 3koyB1 PRO 72 HG2 -0.21 0.04 -0.04 -0.04 2.03 1.78 3koyB1 PRO 72 HG3 -0.22 0.01 -0.06 -0.04 2.03 1.72 3koyB1 PRO 72 HD2 -0.04 0.11 0.02 -0.04 3.68 3.73 3koyB1 PRO 72 HD3 -0.01 0.11 -0.26 -0.04 3.65 3.45 3koyB1 GLN 73 H -0.12 0.22 0.14 -0.55 8.47 8.17 3koyB1 GLN 73 HA -0.05 0.21 0.88 -0.75 4.36 4.65 3koyB1 GLN 73 HB2 -0.05 0.09 0.00 -0.04 2.15 2.16 3koyB1 GLN 73 HB3 -0.03 0.09 0.00 -0.04 2.02 2.04 3koyB1 GLN 73 HG2 -0.06 -0.08 -0.02 -0.04 2.40 2.20 3koyB1 GLN 73 HG3 -0.05 0.06 0.03 -0.04 2.39 2.38 3koyB1 GLN 73 HE21 -0.03 -0.02 -0.13 -0.04 6.97 6.75 3koyB1 GLN 73 HE22 -0.05 0.22 -0.13 -0.04 7.69 7.69 3koyB1 PRO 74 HA -0.01 0.11 0.50 -0.51 4.44 4.52 3koyB1 PRO 74 HB2 0.02 0.02 -0.00 -0.04 2.28 2.28 3koyB1 PRO 74 HB3 0.01 -0.05 0.01 -0.04 2.02 1.95 3koyB1 PRO 74 HG2 0.02 0.14 -0.00 -0.04 2.03 2.15 3koyB1 PRO 74 HG3 0.02 -0.03 0.06 -0.04 2.03 2.04 3koyB1 PRO 74 HD2 -0.01 0.15 0.23 -0.04 3.68 4.01 3koyB1 PRO 74 HD3 -0.02 0.18 0.19 -0.04 3.65 3.96 3koyB1 LEU 75 H 0.01 0.12 0.14 -0.55 8.37 8.10 3koyB1 LEU 75 HA 0.02 0.03 0.16 -0.75 4.35 3.81 3koyB1 LEU 75 HB2 0.01 -0.03 0.13 -0.04 1.64 1.72 3koyB1 LEU 75 HB3 0.01 -0.01 -0.06 -0.04 1.64 1.53 3koyB1 LEU 75 HG 0.01 0.15 -0.12 -0.04 1.64 1.65 3koyB1 LEU 75 HD13 -0.00 -0.02 0.00 -0.04 0.93 0.86 3koyB1 LEU 75 HD23 0.01 0.00 -0.19 -0.04 0.89 0.67 3koyB1 PRO 76 HA 0.13 0.17 0.50 -0.51 4.44 4.74 3koyB1 PRO 76 HB2 0.09 -0.08 -0.20 -0.04 2.28 2.05 3koyB1 PRO 76 HB3 0.08 0.29 -0.18 -0.04 2.02 2.18 3koyB1 PRO 76 HG2 0.04 -0.05 -0.05 -0.04 2.03 1.93 3koyB1 PRO 76 HG3 0.03 0.05 0.01 -0.04 2.03 2.08 3koyB1 PRO 76 HD2 0.04 0.09 -0.12 -0.04 3.68 3.65 3koyB1 PRO 76 HD3 0.03 -0.09 0.09 -0.04 3.65 3.64 3koyB1 VAL 77 H 0.27 0.27 0.33 -0.55 8.24 8.56 3koyB1 VAL 77 HA 0.09 0.13 0.53 -0.75 4.13 4.12 3koyB1 VAL 77 HB 0.37 -0.09 0.15 -0.04 2.12 2.51 3koyB1 VAL 77 HG13 -0.02 -0.02 -0.24 -0.04 0.97 0.66 3koyB1 VAL 77 HG23 0.12 0.05 0.16 -0.04 0.95 1.24 3koyB1 ILE 78 H 0.08 0.12 0.14 -0.55 8.25 8.05 3koyB1 ILE 78 HA 0.11 0.42 0.86 -0.75 4.18 4.82 3koyB1 ILE 78 HB 0.06 0.01 0.17 -0.04 1.89 2.09 3koyB1 ILE 78 HG12 0.06 0.25 -0.18 -0.04 1.49 1.59 3koyB1 ILE 78 HG13 0.05 0.04 -0.05 -0.04 1.21 1.21 3koyB1 ILE 78 HG23 0.06 -0.00 -0.15 -0.04 0.93 0.80 3koyB1 ILE 78 HD13 0.06 -0.02 -0.15 -0.04 0.88 0.73 3koyB1 THR 79 H 0.10 0.43 0.25 -0.55 8.28 8.52 3koyB1 THR 79 HA 0.10 0.28 0.68 -0.75 4.39 4.70 3koyB1 THR 79 HB -0.02 -0.23 0.01 -0.04 4.32 4.03 3koyB1 THR 79 HG23 -0.51 -0.03 -0.13 -0.04 1.22 0.51 3koyB1 THR 80 H -0.03 0.57 0.35 -0.55 8.28 8.61 3koyB1 THR 80 HA 0.01 0.06 0.35 -0.75 4.39 4.05 3koyB1 THR 80 HB 0.05 0.19 -0.06 -0.04 4.32 4.46 3koyB1 THR 80 HG23 0.06 0.00 -0.14 -0.04 1.22 1.11 3koyB1 GLU 81 H 0.02 0.19 0.09 -0.55 8.60 8.36 3koyB1 GLU 81 HA 0.02 0.30 0.82 -0.75 4.29 4.67 3koyB1 GLU 81 HB2 0.02 -0.05 0.21 -0.04 2.09 2.24 3koyB1 GLU 81 HB3 0.03 -0.00 0.01 -0.04 1.99 1.99 3koyB1 GLU 81 HG2 -0.01 0.01 -0.13 -0.04 2.34 2.17 3koyB1 GLU 81 HG3 -0.01 0.02 -0.06 -0.04 2.34 2.25 3koyB1 ILE 82 H 0.07 0.38 0.18 -0.55 8.25 8.33 3koyB1 ILE 82 HA 0.09 0.11 0.82 -0.75 4.18 4.46 3koyB1 ILE 82 HB 0.13 0.02 0.00 -0.04 1.89 1.99 3koyB1 ILE 82 HG12 0.09 -0.09 -0.48 -0.04 1.49 0.96 3koyB1 ILE 82 HG13 0.10 0.08 -0.12 -0.04 1.21 1.23 3koyB1 ILE 82 HG23 0.14 -0.02 -0.05 -0.04 0.93 0.96 3koyB1 ILE 82 HD13 0.11 -0.00 -0.30 -0.04 0.88 0.65 3koyB1 ALA 83 H 0.10 0.24 -0.14 -0.55 8.40 8.06 3koyB1 ALA 83 HA 0.15 -0.04 0.29 -0.75 4.34 3.98 3koyB1 ALA 83 HB3 0.09 0.06 0.11 -0.04 1.41 1.63 3koyB1 SER 84 H 0.21 0.06 -0.06 -0.55 8.46 8.13 3koyB1 SER 84 HA 0.15 0.34 0.78 -0.75 4.49 5.00 3koyB1 SER 84 HB2 0.29 0.04 0.03 -0.04 3.95 4.26 3koyB1 SER 84 HB3 0.16 0.11 -0.07 -0.04 3.93 4.08 3koyB1 GLY 85 H 0.22 0.04 -0.33 -0.55 8.43 7.81 3koyB1 GLY 85 HA2 0.17 0.23 0.24 -0.51 4.01 4.15 3koyB1 GLY 85 HA3 0.34 0.34 0.81 -0.51 4.01 4.99 3koyB1 ARG 86 H 0.28 0.18 -0.41 -0.55 8.46 7.96 3koyB1 ARG 86 HA -0.07 0.27 0.90 -0.75 4.34 4.70 3koyB1 ARG 86 HB2 -0.36 -0.06 0.19 -0.04 1.90 1.62 3koyB1 ARG 86 HB3 -0.42 0.02 0.08 -0.04 1.80 1.44 3koyB1 ARG 86 HG2 -0.74 0.05 -0.25 -0.04 1.67 0.70 3koyB1 ARG 86 HG3 -1.88 0.06 -0.09 -0.04 1.67 -0.27 3koyB1 ARG 86 HD2 -1.75 -0.02 -0.01 -0.04 3.22 1.41 3koyB1 ARG 86 HD3 -0.74 -0.00 -0.02 -0.04 3.22 2.42 3koyB1 PHE 87 H 0.34 0.39 -0.04 -0.55 8.34 8.49 3koyB1 PHE 87 HA 0.08 0.02 0.22 -0.75 4.62 4.19 3koyB1 PHE 87 HB2 0.08 0.10 0.04 -0.04 3.15 3.32 3koyB1 PHE 87 HB3 0.06 0.06 0.08 -0.04 3.06 3.22 3koyB1 PHE 87 HD2 0.02 0.03 -0.05 -0.04 7.28 7.24 3koyB1 PHE 87 HE2 0.00 0.02 -0.03 -0.04 7.38 7.32 3koyB1 PHE 87 HZ 0.01 0.02 -0.05 -0.04 7.32 7.26 3koyB1 GLU 88 H -0.78 -0.00 -0.68 -0.55 8.60 6.59 3koyB1 GLU 88 HA -0.83 0.15 0.18 -0.75 4.29 3.03 3koyB1 GLU 88 HB2 -0.44 0.05 -0.01 -0.04 2.09 1.65 3koyB1 GLU 88 HB3 -1.09 -0.01 0.01 -0.04 1.99 0.85 3koyB1 GLU 88 HG2 -0.28 0.02 -0.17 -0.04 2.34 1.88 3koyB1 GLU 88 HG3 -0.24 0.07 -0.08 -0.04 2.34 2.04 3koyB1 ASP 89 H -0.18 0.24 -0.01 -0.55 8.40 7.89 3koyB1 ASP 89 HA -0.03 0.09 0.60 -0.75 4.63 4.54 3koyB1 ASP 89 HB2 0.14 0.02 0.17 -0.04 2.71 3.01 3koyB1 ASP 89 HB3 0.21 0.24 0.18 -0.04 2.70 3.29 3koyB1 ASP 90 H 0.01 0.28 -0.37 -0.55 8.40 7.78 3koyB1 ASP 90 HA 0.15 0.00 0.21 -0.75 4.63 4.24 3koyB1 ASP 90 HB2 0.12 0.30 0.08 -0.04 2.71 3.17 3koyB1 ASP 90 HB3 0.14 0.05 -0.10 -0.04 2.70 2.75 3koyB1 ILE 91 H -0.01 0.29 -0.43 -0.55 8.25 7.55 3koyB1 ILE 91 HA 0.06 0.08 0.30 -0.75 4.18 3.86 3koyB1 ILE 91 HB -0.03 0.11 0.04 -0.04 1.89 1.96 3koyB1 ILE 91 HG12 0.05 0.04 0.00 -0.04 1.49 1.54 3koyB1 ILE 91 HG13 0.07 0.04 -0.00 -0.04 1.21 1.28 3koyB1 ILE 91 HG23 0.00 0.00 -0.07 -0.04 0.93 0.83 3koyB1 ILE 91 HD13 0.06 -0.01 -0.13 -0.04 0.88 0.76 3koyB1 ARG 92 H 0.01 0.45 -0.39 -0.55 8.46 7.98 3koyB1 ARG 92 HA -0.02 0.12 0.65 -0.75 4.34 4.34 3koyB1 ARG 92 HB2 -0.06 0.10 0.18 -0.04 1.90 2.08 3koyB1 ARG 92 HB3 -0.10 -0.00 0.05 -0.04 1.80 1.71 3koyB1 ARG 92 HG2 -0.04 -0.00 0.01 -0.04 1.67 1.59 3koyB1 ARG 92 HG3 -0.04 0.02 0.07 -0.04 1.67 1.68 3koyB1 ARG 92 HD2 -0.06 0.02 0.04 -0.04 3.22 3.17 3koyB1 ARG 92 HD3 -0.04 0.00 0.04 -0.04 3.22 3.18 3koyB1 ARG 93 H 0.05 0.23 0.01 -0.55 8.46 8.20 3koyB1 ARG 93 HA -0.01 0.01 0.35 -0.75 4.34 3.94 3koyB1 ARG 93 HB2 0.38 -0.03 0.10 -0.04 1.90 2.31 3koyB1 ARG 93 HB3 0.18 0.08 0.01 -0.04 1.80 2.02 3koyB1 ARG 93 HG2 0.15 0.04 -0.03 -0.04 1.67 1.79 3koyB1 ARG 93 HG3 0.38 -0.09 0.06 -0.04 1.67 1.98 3koyB1 ARG 93 HD2 0.15 0.03 -0.09 -0.04 3.22 3.26 3koyB1 ARG 93 HD3 0.17 0.00 -0.08 -0.04 3.22 3.27 3koyB1 MET 94 H 0.08 0.48 -0.44 -0.55 8.47 8.05 3koyB1 MET 94 HA 0.10 -0.00 0.27 -0.75 4.52 4.13 3koyB1 MET 94 HB2 0.07 0.11 0.06 -0.04 2.15 2.35 3koyB1 MET 94 HB3 0.08 0.04 -0.07 -0.04 2.03 2.05 3koyB1 MET 94 HG2 0.12 -0.06 -0.06 -0.04 2.63 2.58 3koyB1 MET 94 HG3 0.11 0.20 -0.14 -0.04 2.56 2.69 3koyB1 MET 94 HE3 0.22 -0.03 -0.13 -0.04 2.10 2.12 3koyB1 ARG 95 H 0.06 0.34 -0.26 -0.55 8.46 8.05 3koyB1 ARG 95 HA 0.17 0.06 0.32 -0.75 4.34 4.13 3koyB1 ARG 95 HB2 0.07 0.00 0.16 -0.04 1.90 2.09 3koyB1 ARG 95 HB3 0.03 0.05 0.18 -0.04 1.80 2.02 3koyB1 ARG 95 HG2 0.13 0.03 -0.23 -0.04 1.67 1.55 3koyB1 ARG 95 HG3 0.26 0.02 0.03 -0.04 1.67 1.94 3koyB1 ARG 95 HD2 0.04 -0.08 0.04 -0.04 3.22 3.18 3koyB1 ARG 95 HD3 -0.04 -0.03 -0.02 -0.04 3.22 3.08 3koyB1 MET 96 H 0.03 0.38 -0.13 -0.55 8.47 8.21 3koyB1 MET 96 HA 0.04 0.04 0.38 -0.75 4.52 4.23 3koyB1 MET 96 HB2 0.02 0.08 0.08 -0.04 2.15 2.29 3koyB1 MET 96 HB3 -0.01 -0.04 -0.04 -0.04 2.03 1.90 3koyB1 MET 96 HG2 -0.10 0.01 -0.02 -0.04 2.63 2.48 3koyB1 MET 96 HG3 -0.08 0.10 -0.02 -0.04 2.56 2.51 3koyB1 MET 96 HE3 -0.35 -0.02 -0.17 -0.04 2.10 1.52 3koyB1 ALA 97 H 0.12 0.59 -0.25 -0.55 8.40 8.31 3koyB1 ALA 97 HA 0.16 0.01 0.43 -0.75 4.34 4.18 3koyB1 ALA 97 HB3 0.10 -0.00 -0.03 -0.04 1.41 1.44 3koyB1 ALA 98 H 0.17 0.55 -0.03 -0.55 8.40 8.54 3koyB1 ALA 98 HA 0.07 0.35 0.40 -0.75 4.34 4.41 3koyB1 ALA 98 HB3 0.09 0.01 0.05 -0.04 1.41 1.52 3koyB1 TRP 99 H 0.44 0.26 -0.52 -0.55 7.97 7.61 3koyB1 TRP 99 HA -0.01 0.20 0.45 -0.75 4.62 4.51 3koyB1 TRP 99 HB2 0.09 0.10 0.09 -0.04 3.23 3.47 3koyB1 TRP 99 HB3 -0.03 -0.08 -0.12 -0.04 3.23 2.95 3koyB1 TRP 99 HD1 0.02 0.25 0.01 -0.04 7.22 7.46 3koyB1 TRP 99 HE1 -0.00 -0.09 -0.09 -0.04 10.20 9.98 3koyB1 TRP 99 HE3 -0.05 -0.04 -0.57 -0.04 7.59 6.89 3koyB1 TRP 99 HZ2 -0.01 -0.08 -0.10 -0.04 7.44 7.20 3koyB1 TRP 99 HZ3 -0.02 0.07 -0.11 -0.04 7.13 7.02 3koyB1 TRP 99 HH2 -0.01 -0.07 -0.07 -0.04 7.19 7.00 3koyB1 HIS 100 H 0.38 0.25 -0.14 -0.55 8.41 8.36 3koyB1 HIS 100 HA 0.12 0.14 0.57 -0.75 4.63 4.70 3koyB1 HIS 100 HB2 0.10 -0.01 0.14 -0.04 3.26 3.46 3koyB1 HIS 100 HB3 0.08 -0.06 0.08 -0.04 3.20 3.26 3koyB1 HIS 100 HD2 0.13 0.27 0.05 -0.04 6.97 7.37 3koyB1 HIS 100 HE1 0.05 -0.06 -0.06 -0.04 7.75 7.63 3koyB1 GLY 101 H 0.11 0.24 -0.63 -0.55 8.43 7.61 3koyB1 GLY 101 HA2 0.00 0.10 0.09 -0.51 4.01 3.69 3koyB1 GLY 101 HA3 0.04 0.11 0.40 -0.51 4.01 4.05 3koyB1 ALA 102 H 0.10 0.37 -0.05 -0.55 8.40 8.27 3koyB1 ALA 102 HA 0.06 0.13 0.58 -0.75 4.34 4.35 3koyB1 ALA 102 HB3 0.08 -0.05 -0.19 -0.04 1.41 1.21 3koyB1 ASP 103 H 0.04 0.22 0.24 -0.55 8.40 8.35 3koyB1 ASP 103 HA -0.01 0.17 0.81 -0.75 4.63 4.85 3koyB1 ASP 103 HB2 -0.13 0.16 0.29 -0.04 2.71 2.99 3koyB1 ASP 103 HB3 -0.06 0.12 -0.10 -0.04 2.70 2.62 3koyB1 HIS 104 H 0.11 0.25 -0.13 -0.55 8.41 8.09 3koyB1 HIS 104 HA -0.04 0.25 0.59 -0.75 4.63 4.68 3koyB1 HIS 104 HB2 0.03 0.07 -0.38 -0.04 3.26 2.94 3koyB1 HIS 104 HB3 0.06 -0.12 -0.17 -0.04 3.20 2.92 3koyB1 HIS 104 HD2 0.19 0.21 -0.26 -0.04 6.97 7.07 3koyB1 HIS 104 HE1 -0.03 -0.05 -0.25 -0.04 7.75 7.38 3koyB1 ILE 105 H 0.20 0.82 0.18 -0.55 8.25 8.89 3koyB1 ILE 105 HA 0.04 0.24 1.06 -0.75 4.18 4.76 3koyB1 ILE 105 HB 0.26 -0.04 0.13 -0.04 1.89 2.19 3koyB1 ILE 105 HG12 0.12 0.08 -0.22 -0.04 1.49 1.43 3koyB1 ILE 105 HG13 0.12 -0.01 -0.12 -0.04 1.21 1.15 3koyB1 ILE 105 HG23 0.13 -0.02 -0.07 -0.04 0.93 0.94 3koyB1 ILE 105 HD13 0.09 0.04 -0.37 -0.04 0.88 0.59 3koyB1 MET 106 H -0.07 0.54 0.29 -0.55 8.47 8.68 3koyB1 MET 106 HA -0.08 0.20 0.72 -0.75 4.52 4.61 3koyB1 MET 106 HB2 -0.13 -0.01 -0.03 -0.04 2.15 1.94 3koyB1 MET 106 HB3 -0.06 -0.07 -0.22 -0.04 2.03 1.64 3koyB1 MET 106 HG2 -0.71 0.04 -0.25 -0.04 2.63 1.67 3koyB1 MET 106 HG3 -0.67 0.02 -0.25 -0.04 2.56 1.61 3koyB1 MET 106 HE3 -0.53 0.01 -0.23 -0.04 2.10 1.31 3koyB1 VAL 107 H -0.01 0.75 0.32 -0.55 8.24 8.75 3koyB1 VAL 107 HA 0.10 0.29 1.03 -0.75 4.13 4.80 3koyB1 VAL 107 HB 0.01 -0.01 0.21 -0.04 2.12 2.29 3koyB1 VAL 107 HG13 0.13 -0.03 -0.10 -0.04 0.97 0.93 3koyB1 VAL 107 HG23 0.17 0.06 -0.07 -0.04 0.95 1.06 3koyB1 ILE 108 H 0.10 0.18 0.01 -0.55 8.25 7.99 3koyB1 ILE 108 HA 0.03 0.01 0.59 -0.75 4.18 4.06 3koyB1 ILE 108 HB -0.01 0.04 0.08 -0.04 1.89 1.95 3koyB1 ILE 108 HG12 0.12 -0.02 -0.14 -0.04 1.49 1.41 3koyB1 ILE 108 HG13 0.10 0.01 -0.14 -0.04 1.21 1.13 3koyB1 ILE 108 HG23 -0.29 0.05 -0.05 -0.04 0.93 0.61 3koyB1 ILE 108 HD13 -0.01 0.01 -0.06 -0.04 0.88 0.78 3koyB1 ARG 109 H -0.23 0.03 0.15 -0.55 8.46 7.85 3koyB1 ARG 109 HA 0.01 0.30 0.45 -0.75 4.34 4.34 3koyB1 ARG 109 HB2 -0.14 -0.07 0.04 -0.04 1.90 1.70 3koyB1 ARG 109 HB3 -0.08 -0.05 0.16 -0.04 1.80 1.79 3koyB1 ARG 109 HG2 0.09 0.07 0.09 -0.04 1.67 1.88 3koyB1 ARG 109 HG3 0.08 -0.08 0.17 -0.04 1.67 1.80 3koyB1 ARG 109 HD2 -0.02 0.01 0.03 -0.04 3.22 3.20 3koyB1 ARG 109 HD3 0.10 0.28 0.11 -0.04 3.22 3.66 3koyB1 THR 110 H -0.06 0.12 -0.11 -0.55 8.28 7.69 3koyB1 THR 110 HA -0.00 0.11 0.07 -0.75 4.39 3.81 3koyB1 THR 110 HB 0.03 0.04 -0.42 -0.04 4.32 3.92 3koyB1 THR 110 HG23 -0.10 0.01 -0.12 -0.04 1.22 0.97 3koyB1 ALA 111 H 0.01 0.61 0.13 -0.55 8.40 8.60 3koyB1 ALA 111 HA -0.01 -0.04 0.20 -0.75 4.34 3.73 3koyB1 ALA 111 HB3 0.03 0.02 0.08 -0.04 1.41 1.50 3koyB1 GLY 112 H -0.00 0.10 0.10 -0.55 8.43 8.08 3koyB1 GLY 112 HA2 0.04 -0.08 0.36 -0.51 4.01 3.82 3koyB1 GLY 112 HA3 0.17 0.11 0.44 -0.51 4.01 4.23 3koyB1 GLN 113 H -0.19 0.38 -0.04 -0.55 8.47 8.07 3koyB1 GLN 113 HA -1.29 0.16 0.63 -0.75 4.36 3.10 3koyB1 GLN 113 HB2 -0.38 0.02 0.07 -0.04 2.15 1.82 3koyB1 GLN 113 HB3 -0.21 -0.03 0.02 -0.04 2.02 1.75 3koyB1 GLN 113 HG2 -0.17 0.07 -0.01 -0.04 2.40 2.26 3koyB1 GLN 113 HG3 -0.56 0.03 0.11 -0.04 2.39 1.94 3koyB1 GLN 113 HE21 0.02 0.37 0.22 -0.04 6.97 7.53 3koyB1 GLN 113 HE22 0.01 0.00 0.09 -0.04 7.69 7.75 3koyB1 SER 114 H -0.11 0.03 -0.16 -0.55 8.46 7.67 3koyB1 SER 114 HA -0.07 0.11 0.29 -0.75 4.49 4.06 3koyB1 SER 114 HB2 -0.11 -0.04 0.03 -0.04 3.95 3.79 3koyB1 SER 114 HB3 -0.32 0.10 -0.15 -0.04 3.93 3.51 3koyB1 HIS 115 H 0.07 0.24 -0.67 -0.55 8.41 7.50 3koyB1 HIS 115 HA 0.08 0.05 0.38 -0.75 4.63 4.40 3koyB1 HIS 115 HB2 0.15 0.20 0.05 -0.04 3.26 3.62 3koyB1 HIS 115 HB3 0.10 -0.01 0.08 -0.04 3.20 3.33 3koyB1 HIS 115 HD2 0.04 -0.04 0.03 -0.04 6.97 6.96 3koyB1 HIS 115 HE1 0.02 0.21 0.01 -0.04 7.75 7.94 3koyB1 TYR 116 H 0.27 0.35 -0.50 -0.55 8.29 7.86 3koyB1 TYR 116 HA 0.05 0.02 0.56 -0.75 4.56 4.43 3koyB1 TYR 116 HB2 0.02 0.17 0.23 -0.04 3.06 3.44 3koyB1 TYR 116 HB3 0.02 0.11 -0.02 -0.04 2.98 3.05 3koyB1 TYR 116 HD2 0.05 -0.06 -0.08 -0.04 7.15 7.01 3koyB1 TYR 116 HE2 0.04 0.01 -0.04 -0.04 6.85 6.82 3koyB1 ASP 117 H 0.07 0.17 0.12 -0.55 8.40 8.22 3koyB1 ASP 117 HA 0.06 0.04 0.31 -0.75 4.63 4.30 3koyB1 ASP 117 HB2 0.06 0.03 0.09 -0.04 2.71 2.85 3koyB1 ASP 117 HB3 0.03 -0.01 0.22 -0.04 2.70 2.90 3koyB1 GLY 118 H 0.07 0.49 -0.07 -0.55 8.43 8.38 3koyB1 GLY 118 HA2 0.03 -0.08 0.33 -0.51 4.01 3.78 3koyB1 GLY 118 HA3 0.03 0.17 0.62 -0.51 4.01 4.31 3koyB1 LEU 119 H 0.01 0.06 0.11 -0.55 8.37 8.01 3koyB1 LEU 119 HA 0.03 0.05 0.43 -0.75 4.35 4.11 3koyB1 LEU 119 HB2 0.01 -0.02 0.07 -0.04 1.64 1.66 3koyB1 LEU 119 HB3 0.01 0.11 0.04 -0.04 1.64 1.75 3koyB1 LEU 119 HG -0.01 -0.08 0.01 -0.04 1.64 1.53 3koyB1 LEU 119 HD13 0.00 0.01 0.02 -0.04 0.93 0.92 3koyB1 LEU 119 HD23 -0.01 0.03 -0.10 -0.04 0.89 0.76 3koyB1 ILE 120 H 0.06 0.18 0.23 -0.55 8.25 8.17 3koyB1 ILE 120 HA 0.04 0.29 0.82 -0.75 4.18 4.58 3koyB1 ILE 120 HB 0.09 -0.08 0.07 -0.04 1.89 1.93 3koyB1 ILE 120 HG12 0.13 0.04 0.06 -0.04 1.49 1.67 3koyB1 ILE 120 HG13 0.07 0.03 -0.20 -0.04 1.21 1.07 3koyB1 ILE 120 HG23 0.24 0.03 -0.08 -0.04 0.93 1.08 3koyB1 ILE 120 HD13 0.19 -0.04 -0.09 -0.04 0.88 0.89 3koyB1 GLU 121 H 0.01 0.26 0.09 -0.55 8.60 8.42 3koyB1 GLU 121 HA -0.06 0.09 0.95 -0.75 4.29 4.52 3koyB1 GLU 121 HB2 -0.03 -0.00 -0.07 -0.04 2.09 1.95 3koyB1 GLU 121 HB3 -0.07 0.03 -0.18 -0.04 1.99 1.73 3koyB1 GLU 121 HG2 -0.02 -0.04 -0.62 -0.04 2.34 1.62 3koyB1 GLU 121 HG3 -0.04 0.04 -0.16 -0.04 2.34 2.15 3koyB1 GLY 122 H -0.10 0.11 0.15 -0.55 8.43 8.05 3koyB1 GLY 122 HA2 -0.06 0.41 0.39 -0.51 4.01 4.25 3koyB1 GLY 122 HA3 -0.03 -0.02 0.73 -0.51 4.01 4.18 3koyB1 THR 123 H 0.00 0.12 0.20 -0.55 8.28 8.05 3koyB1 THR 123 HA -0.05 0.22 0.67 -0.75 4.39 4.47 3koyB1 THR 123 HB 0.17 -0.01 0.17 -0.04 4.32 4.61 3koyB1 THR 123 HG23 -0.17 0.01 -0.21 -0.04 1.22 0.81 3koyB1 PRO 124 HA 0.03 0.03 0.43 -0.51 4.44 4.42 3koyB1 PRO 124 HB2 0.05 0.15 -0.02 -0.04 2.28 2.42 3koyB1 PRO 124 HB3 0.03 0.02 0.14 -0.04 2.02 2.17 3koyB1 PRO 124 HG2 0.06 0.04 -0.04 -0.04 2.03 2.04 3koyB1 PRO 124 HG3 0.05 0.06 0.01 -0.04 2.03 2.11 3koyB1 PRO 124 HD2 0.01 0.13 -0.13 -0.04 3.68 3.66 3koyB1 PRO 124 HD3 0.02 0.09 0.14 -0.04 3.65 3.85 3koyB1 GLN 125 H 0.02 0.04 0.12 -0.55 8.47 8.10 3koyB1 GLN 125 HA 0.01 0.09 0.46 -0.75 4.36 4.16 3koyB1 GLN 125 HB2 -0.07 -0.03 0.10 -0.04 2.15 2.10 3koyB1 GLN 125 HB3 -0.00 -0.03 0.12 -0.04 2.02 2.07 3koyB1 GLN 125 HG2 0.04 0.04 -0.16 -0.04 2.40 2.28 3koyB1 GLN 125 HG3 0.01 -0.01 0.04 -0.04 2.39 2.39 3koyB1 GLN 125 HE21 -0.14 -0.01 -0.00 -0.04 6.97 6.77 3koyB1 GLN 125 HE22 0.23 0.10 0.02 -0.04 7.69 8.01 3koyB1 GLY 126 H 0.07 0.25 0.32 -0.55 8.43 8.53 3koyB1 GLY 126 HA2 0.08 0.07 0.66 -0.51 4.01 4.30 3koyB1 GLY 126 HA3 0.10 0.35 0.54 -0.51 4.01 4.49 3koyB1 ILE 127 H 0.07 0.15 0.10 -0.55 8.25 8.02 3koyB1 ILE 127 HA 0.10 0.20 0.89 -0.75 4.18 4.62 3koyB1 GLY 128 H 0.09 0.24 -0.04 -0.55 8.43 8.18 3koyB1 GLY 128 HA2 0.04 0.06 0.24 -0.51 4.01 3.85 3koyB1 GLY 128 HA3 0.03 0.09 0.44 -0.51 4.01 4.05 3koyB1 GLY 129 H 0.08 0.13 -0.43 -0.55 8.43 7.67 3koyB1 GLY 129 HA2 0.07 0.05 0.02 -0.51 4.01 3.63 3koyB1 GLY 129 HA3 0.02 0.44 0.02 -0.51 4.01 3.97 3koyB1 VAL 130 H 0.07 0.69 0.02 -0.55 8.24 8.47 3koyB1 VAL 130 HA 0.11 0.16 0.66 -0.75 4.13 4.31 3koyB1 VAL 130 HB 0.12 0.13 -0.02 -0.04 2.12 2.31 3koyB1 VAL 130 HG13 0.13 0.01 -0.32 -0.04 0.97 0.75 3koyB1 VAL 130 HG23 0.18 -0.04 -0.20 -0.04 0.95 0.86 3koyB1 PRO 131 HA 0.01 -0.03 0.57 -0.51 4.44 4.48 3koyB1 PRO 131 HB2 0.04 -0.00 0.01 -0.04 2.28 2.29 3koyB1 PRO 131 HB3 0.07 0.03 -0.03 -0.04 2.02 2.05 3koyB1 PRO 131 HG2 0.07 0.42 -0.27 -0.04 2.03 2.21 3koyB1 PRO 131 HG3 0.07 -0.01 -0.11 -0.04 2.03 1.93 3koyB1 PRO 131 HD2 0.09 0.10 0.19 -0.04 3.68 4.02 3koyB1 PRO 131 HD3 0.08 0.12 0.25 -0.04 3.65 4.06 3koyB1 ILE 132 H 0.02 0.11 0.19 -0.55 8.25 8.01 3koyB1 ILE 132 HA 0.07 0.04 0.43 -0.75 4.18 3.98 3koyB1 ILE 132 HB 0.09 -0.01 0.17 -0.04 1.89 2.10 3koyB1 ILE 132 HG12 0.05 -0.04 0.16 -0.04 1.49 1.62 3koyB1 ILE 132 HG13 0.15 -0.01 0.04 -0.04 1.21 1.35 3koyB1 ILE 132 HG23 0.29 0.01 -0.13 -0.04 0.93 1.06 3koyB1 ILE 132 HD13 0.10 -0.01 -0.26 -0.04 0.88 0.68 3koyB1 THR 133 H 0.03 0.19 0.22 -0.55 8.28 8.17 3koyB1 THR 133 HA 0.04 0.26 0.83 -0.75 4.39 4.77 3koyB1 THR 133 HB -0.04 -0.10 0.04 -0.04 4.32 4.18 3koyB1 THR 133 HG23 0.01 0.00 -0.80 -0.04 1.22 0.39 3koyB1 ARG 134 H 0.01 0.29 0.22 -0.55 8.46 8.42 3koyB1 ARG 134 HA 0.09 0.12 0.31 -0.75 4.34 4.11 3koyB1 ARG 134 HB2 0.03 0.03 0.17 -0.04 1.90 2.10 3koyB1 ARG 134 HB3 -0.08 -0.04 0.18 -0.04 1.80 1.81 3koyB1 ARG 134 HG2 0.14 0.02 -0.10 -0.04 1.67 1.68 3koyB1 ARG 134 HG3 0.11 0.09 0.06 -0.04 1.67 1.89 3koyB1 ARG 134 HD2 -0.11 -0.10 0.00 -0.04 3.22 2.97 3koyB1 ARG 134 HD3 0.18 0.10 -0.08 -0.04 3.22 3.39 3koyB1 LYS 135 H -0.10 -0.02 -0.28 -0.55 8.42 7.47 3koyB1 LYS 135 HA 0.14 0.13 0.46 -0.75 4.32 4.30 3koyB1 LYS 135 HB2 -0.16 0.09 0.22 -0.04 1.87 1.98 3koyB1 LYS 135 HB3 -0.11 0.12 0.27 -0.04 1.79 2.03 3koyB1 LYS 135 HG2 -0.11 -0.03 -0.18 -0.04 1.46 1.10 3koyB1 LYS 135 HG3 0.11 0.00 0.00 -0.04 1.46 1.54 3koyB1 LYS 135 HD2 0.09 0.04 0.13 -0.04 1.69 1.91 3koyB1 LYS 135 HD3 -0.01 -0.06 0.03 -0.04 1.68 1.60 3koyB1 LYS 135 HE2 0.08 -0.11 -0.03 -0.04 2.99 2.89 3koyB1 LYS 135 HE3 0.13 0.07 0.01 -0.04 2.99 3.15 3koyB1 GLN 136 H -0.16 0.14 0.05 -0.55 8.47 7.96 3koyB1 GLN 136 HA -0.64 -0.01 0.38 -0.75 4.36 3.33 3koyB1 GLN 136 HB2 -0.75 -0.03 0.16 -0.04 2.15 1.48 3koyB1 GLN 136 HB3 -0.19 -0.01 0.26 -0.04 2.02 2.03 3koyB1 GLN 136 HG2 -0.09 -0.03 -0.22 -0.04 2.40 2.02 3koyB1 GLN 136 HG3 -0.10 -0.09 -0.04 -0.04 2.39 2.12 3koyB1 GLN 136 HE21 0.16 0.04 -0.12 -0.04 6.97 7.01 3koyB1 GLN 136 HE22 0.22 -0.02 -0.15 -0.04 7.69 7.69 3koyB1 VAL 137 H 0.02 0.60 -0.09 -0.55 8.24 8.22 3koyB1 VAL 137 HA 0.19 -0.01 0.34 -0.75 4.13 3.88 3koyB1 VAL 137 HB 0.13 0.08 0.02 -0.04 2.12 2.31 3koyB1 VAL 137 HG13 0.20 0.03 -0.17 -0.04 0.97 0.99 3koyB1 VAL 137 HG23 0.18 -0.00 -0.12 -0.04 0.95 0.96 3koyB1 ARG 138 H 0.11 0.45 -0.23 -0.55 8.46 8.23 3koyB1 ARG 138 HA 0.25 0.09 0.30 -0.75 4.34 4.22 3koyB1 ARG 138 HB2 0.21 0.09 0.23 -0.04 1.90 2.39 3koyB1 ARG 138 HB3 0.28 -0.00 -0.00 -0.04 1.80 2.04 3koyB1 ARG 138 HG2 0.29 0.02 0.01 -0.04 1.67 1.95 3koyB1 ARG 138 HG3 0.23 0.04 0.11 -0.04 1.67 2.00 3koyB1 ARG 138 HD2 0.41 -0.15 -0.04 -0.04 3.22 3.40 3koyB1 ARG 138 HD3 0.27 0.16 0.03 -0.04 3.22 3.64 3koyB1 ALA 139 H 0.02 0.43 -0.08 -0.55 8.40 8.23 3koyB1 ALA 139 HA -0.07 0.10 0.34 -0.75 4.34 3.95 3koyB1 ALA 139 HB3 0.16 -0.01 0.06 -0.04 1.41 1.57 3koyB1 GLN 140 H 0.01 0.54 -0.11 -0.55 8.47 8.37 3koyB1 GLN 140 HA -0.02 -0.06 0.36 -0.75 4.36 3.89 3koyB1 GLN 140 HB2 -0.16 0.15 0.12 -0.04 2.15 2.21 3koyB1 GLN 140 HB3 -0.12 -0.03 0.01 -0.04 2.02 1.84 3koyB1 GLN 140 HG2 0.21 -0.08 -0.03 -0.04 2.40 2.47 3koyB1 GLN 140 HG3 0.25 0.13 0.05 -0.04 2.39 2.78 3koyB1 GLN 140 HE21 0.27 -0.08 -0.05 -0.04 6.97 7.07 3koyB1 GLN 140 HE22 0.30 0.11 0.01 -0.04 7.69 8.07 3koyB1 ARG 141 H -0.19 0.66 -0.10 -0.55 8.46 8.27 3koyB1 ARG 141 HA -0.32 -0.01 0.36 -0.75 4.34 3.62 3koyB1 ARG 141 HB2 -0.21 -0.01 0.08 -0.04 1.90 1.71 3koyB1 ARG 141 HB3 0.12 0.05 0.08 -0.04 1.80 2.01 3koyB1 ARG 141 HG2 0.05 0.29 0.05 -0.04 1.67 2.02 3koyB1 ARG 141 HG3 0.09 -0.09 -0.01 -0.04 1.67 1.62 3koyB1 ARG 141 HD2 -0.25 -0.15 0.08 -0.04 3.22 2.86 3koyB1 ARG 141 HD3 0.02 0.22 0.14 -0.04 3.22 3.55 3koyB1 LYS 142 H -0.22 0.61 -0.22 -0.55 8.42 8.03 3koyB1 LYS 142 HA -0.20 0.04 0.49 -0.75 4.32 3.90 3koyB1 LYS 142 HB2 -1.16 0.14 0.10 -0.04 1.87 0.90 3koyB1 LYS 142 HB3 -0.35 0.10 0.20 -0.04 1.79 1.70 3koyB1 LYS 142 HG2 -0.26 -0.09 -0.12 -0.04 1.46 0.95 3koyB1 LYS 142 HG3 -0.65 -0.00 0.01 -0.04 1.46 0.77 3koyB1 LYS 142 HD2 -0.55 -0.03 -0.06 -0.04 1.69 1.01 3koyB1 LYS 142 HD3 -0.24 -0.03 0.02 -0.04 1.68 1.39 3koyB1 LYS 142 HE2 -0.13 -0.08 -0.03 -0.04 2.99 2.70 3koyB1 LYS 142 HE3 -0.14 -0.02 -0.07 -0.04 2.99 2.71 3koyB1 ALA 143 H -0.12 0.53 0.01 -0.55 8.40 8.28 3koyB1 ALA 143 HA -0.05 -0.00 0.52 -0.75 4.34 4.06 3koyB1 ALA 143 HB3 -0.03 -0.01 0.11 -0.04 1.41 1.44 3koyB1 LEU 144 H -0.09 0.79 -0.03 -0.55 8.37 8.50 3koyB1 LEU 144 HA -0.01 -0.05 0.41 -0.75 4.35 3.94 3koyB1 LEU 144 HB2 -0.14 0.11 0.13 -0.04 1.64 1.70 3koyB1 LEU 144 HB3 -0.04 0.07 0.01 -0.04 1.64 1.63 3koyB1 LEU 144 HG -0.02 -0.09 -0.01 -0.04 1.64 1.47 3koyB1 LEU 144 HD13 -0.03 -0.02 -0.11 -0.04 0.93 0.74 3koyB1 LEU 144 HD23 0.03 -0.01 -0.07 -0.04 0.89 0.81 3koyB1 ASP 145 H -0.03 0.40 -0.45 -0.55 8.40 7.76 3koyB1 ASP 145 HA -0.01 0.02 0.43 -0.75 4.63 4.32 3koyB1 ASP 145 HB2 0.02 0.28 0.27 -0.04 2.71 3.24 3koyB1 ASP 145 HB3 0.03 -0.05 0.03 -0.04 2.70 2.66 3koyB1 LEU 146 H -0.02 0.36 -0.07 -0.55 8.37 8.10 3koyB1 LEU 146 HA -0.00 0.08 0.52 -0.75 4.35 4.20 3koyB1 LEU 146 HB2 -0.00 0.05 0.26 -0.04 1.64 1.91 3koyB1 LEU 146 HB3 0.01 -0.08 -0.01 -0.04 1.64 1.52 3koyB1 LEU 146 HG -0.02 0.13 0.06 -0.04 1.64 1.77 3koyB1 LEU 146 HD13 -0.02 -0.05 -0.01 -0.04 0.93 0.82 3koyB1 LEU 146 HD23 0.00 -0.01 -0.12 -0.04 0.89 0.73 3koyB1 ILE 147 H 0.01 0.78 0.11 -0.55 8.25 8.60 3koyB1 ILE 147 HA 0.07 -0.06 0.24 -0.75 4.18 3.67 3koyB1 ILE 147 HB 0.03 0.06 0.06 -0.04 1.89 1.99 3koyB1 ILE 147 HG12 0.08 -0.09 0.04 -0.04 1.49 1.47 3koyB1 ILE 147 HG13 0.03 0.33 0.03 -0.04 1.21 1.56 3koyB1 ILE 147 HG23 0.11 -0.01 -0.07 -0.04 0.93 0.93 3koyB1 ILE 147 HD13 0.05 -0.04 -0.10 -0.04 0.88 0.75 3koyB1 GLU 148 H -0.02 0.74 -0.35 -0.55 8.60 8.43 3koyB1 GLU 148 HA -0.06 0.06 0.41 -0.75 4.29 3.95 3koyB1 GLU 148 HB2 -0.06 -0.00 0.13 -0.04 2.09 2.12 3koyB1 GLU 148 HB3 -0.04 0.02 0.16 -0.04 1.99 2.10 3koyB1 GLU 148 HG2 -0.03 0.16 0.19 -0.04 2.34 2.61 3koyB1 GLU 148 HG3 -0.04 0.01 -0.23 -0.04 2.34 2.04 3koyB1 GLU 149 H -0.03 0.58 -0.18 -0.55 8.60 8.43 3koyB1 GLU 149 HA -0.05 0.01 0.51 -0.75 4.29 4.00 3koyB1 GLU 149 HB2 -0.02 0.28 0.28 -0.04 2.09 2.59 3koyB1 GLU 149 HB3 -0.02 -0.02 0.07 -0.04 1.99 1.98 3koyB1 GLU 149 HG2 -0.02 -0.04 0.04 -0.04 2.34 2.28 3koyB1 GLU 149 HG3 -0.03 -0.04 0.05 -0.04 2.34 2.28 3koyB1 GLU 150 H -0.02 0.43 -0.11 -0.55 8.60 8.35 3koyB1 GLU 150 HA -0.02 0.02 0.37 -0.75 4.29 3.90 3koyB1 GLU 150 HB2 0.06 -0.09 -0.03 -0.04 2.09 1.99 3koyB1 GLU 150 HB3 0.02 0.16 0.11 -0.04 1.99 2.24 3koyB1 GLU 150 HG2 -0.08 0.09 -0.27 -0.04 2.34 2.04 3koyB1 GLU 150 HG3 0.09 -0.03 -0.09 -0.04 2.34 2.27 3koyB1 VAL 151 H -0.16 0.39 -0.20 -0.55 8.24 7.73 3koyB1 VAL 151 HA -0.48 0.05 0.41 -0.75 4.13 3.34 3koyB1 VAL 151 HB -0.52 0.13 0.08 -0.04 2.12 1.77 3koyB1 VAL 151 HG13 -0.41 0.09 -0.03 -0.04 0.97 0.58 3koyB1 VAL 151 HG23 -0.17 0.01 -0.15 -0.04 0.95 0.60 3koyB1 GLY 152 H -0.12 0.34 -0.28 -0.55 8.43 7.83 3koyB1 GLY 152 HA2 -0.09 0.04 0.28 -0.51 4.01 3.73 3koyB1 GLY 152 HA3 -0.11 -0.05 0.46 -0.51 4.01 3.80 3koyB1 ARG 153 H -0.10 0.41 0.06 -0.55 8.46 8.28 3koyB1 ARG 153 HA -0.08 0.06 0.41 -0.75 4.34 3.97 3koyB1 ARG 153 HB2 -0.08 0.11 0.07 -0.04 1.90 1.96 3koyB1 ARG 153 HB3 -0.09 -0.05 -0.25 -0.04 1.80 1.36 3koyB1 ARG 153 HG2 -0.10 0.15 -0.24 -0.04 1.67 1.44 3koyB1 ARG 153 HG3 -0.07 -0.07 -0.05 -0.04 1.67 1.44 3koyB1 ARG 153 HD2 -0.08 -0.05 -0.22 -0.04 3.22 2.82 3koyB1 ARG 153 HD3 -0.09 0.05 -0.17 -0.04 3.22 2.97 3koyB1 PRO 154 HA -0.09 -0.01 0.33 -0.51 4.44 4.17 3koyB1 PRO 154 HB2 -0.19 0.00 -0.08 -0.04 2.28 1.97 3koyB1 PRO 154 HB3 -0.12 0.04 -0.01 -0.04 2.02 1.89 3koyB1 PRO 154 HG2 -0.12 0.03 0.01 -0.04 2.03 1.91 3koyB1 PRO 154 HG3 -0.09 0.03 0.02 -0.04 2.03 1.95 3koyB1 PRO 154 HD2 -0.10 0.12 0.11 -0.04 3.68 3.76 3koyB1 PRO 154 HD3 -0.08 0.13 0.15 -0.04 3.65 3.81 3koyB1 ILE 155 H -0.09 0.12 0.15 -0.55 8.25 7.89 3koyB1 ILE 155 HA -0.12 0.26 0.99 -0.75 4.18 4.55 3koyB1 ILE 155 HB -0.03 -0.04 0.10 -0.04 1.89 1.88 3koyB1 ILE 155 HG12 -0.03 0.12 0.03 -0.04 1.49 1.56 3koyB1 ILE 155 HG13 -0.06 0.16 -0.12 -0.04 1.21 1.15 3koyB1 ILE 155 HG23 0.03 -0.06 -0.40 -0.04 0.93 0.46 3koyB1 ILE 155 HD13 -0.01 -0.02 -0.09 -0.04 0.88 0.72 3koyB1 ASN 156 H -0.25 0.64 0.10 -0.55 8.53 8.47 3koyB1 ASN 156 HA -0.17 0.11 0.57 -0.75 4.76 4.51 3koyB1 ASN 156 HB2 -0.60 -0.01 0.21 -0.04 2.88 2.44 3koyB1 ASN 156 HB3 -0.41 -0.06 -0.06 -0.04 2.79 2.22 3koyB1 ASN 156 HD21 -1.27 0.39 0.17 -0.04 7.03 6.28 3koyB1 ASN 156 HD22 -0.90 0.23 0.21 -0.04 7.74 7.24 3koyB1 TYR 157 H 0.14 0.19 0.29 -0.55 8.29 8.35 3koyB1 TYR 157 HA 0.08 0.16 0.85 -0.75 4.56 4.89 3koyB1 TYR 157 HB2 0.01 0.11 0.10 -0.04 3.06 3.23 3koyB1 TYR 157 HB3 -0.02 -0.03 0.22 -0.04 2.98 3.12 3koyB1 TYR 157 HD2 -0.02 0.06 -0.00 -0.04 7.15 7.15 3koyB1 TYR 157 HE2 -0.01 -0.06 -0.06 -0.04 6.85 6.68 3koyB1 HIS 158 H -0.43 0.39 0.32 -0.55 8.41 8.15 3koyB1 HIS 158 HA -0.17 0.42 0.98 -0.75 4.63 5.11 3koyB1 HIS 158 HB2 0.29 0.03 -0.55 -0.04 3.26 2.99 3koyB1 HIS 158 HB3 -0.11 -0.06 -0.18 -0.04 3.20 2.80 3koyB1 HIS 158 HD2 -0.27 -0.11 -0.30 -0.04 6.97 6.25 3koyB1 HIS 158 HE1 -0.09 0.04 -0.34 -0.04 7.75 7.31 3koyB1 SER 159 H -0.34 0.45 0.30 -0.55 8.46 8.33 3koyB1 SER 159 HA 0.04 0.11 0.41 -0.75 4.49 4.30 3koyB1 SER 159 HB2 -0.28 0.03 -0.15 -0.04 3.95 3.51 3koyB1 SER 159 HB3 0.23 0.03 0.06 -0.04 3.93 4.20 3koyB1 TYR 160 H 0.40 0.20 0.20 -0.55 8.29 8.54 3koyB1 TYR 160 HA 0.10 0.09 1.03 -0.75 4.56 5.02 3koyB1 TYR 160 HB2 -0.05 -0.01 0.14 -0.04 3.06 3.10 3koyB1 TYR 160 HB3 -0.11 -0.10 0.05 -0.04 2.98 2.78 3koyB1 TYR 160 HD2 -0.20 0.03 0.03 -0.04 7.15 6.97 3koyB1 TYR 160 HE2 -0.51 0.04 -0.27 -0.04 6.85 6.07 3koyB1 VAL 161 H 0.08 0.50 0.29 -0.55 8.24 8.56 3koyB1 VAL 161 HA -0.18 0.20 0.75 -0.75 4.13 4.15 3koyB1 VAL 161 HB -0.01 0.15 0.05 -0.04 2.12 2.27 3koyB1 VAL 161 HG13 -0.09 -0.01 0.01 -0.04 0.97 0.84 3koyB1 VAL 161 HG23 -0.10 0.01 -0.21 -0.04 0.95 0.61 3koyB1 SER 162 H 0.04 -0.05 -0.22 -0.55 8.46 7.68 3koyB1 SER 162 HA 0.00 0.08 0.27 -0.75 4.49 4.09 3koyB1 SER 162 HB2 -0.06 0.01 -0.07 -0.04 3.95 3.79 3koyB1 SER 162 HB3 0.08 -0.11 0.06 -0.04 3.93 3.92 3koyB1 GLY 163 H 0.04 0.02 0.09 -0.55 8.43 8.04 3koyB1 GLY 163 HA2 -0.04 -0.01 0.34 -0.51 4.01 3.79 3koyB1 GLY 163 HA3 -0.03 0.24 0.77 -0.51 4.01 4.48 3koyB1 VAL 164 H -0.01 0.72 0.19 -0.55 8.24 8.59 3koyB1 VAL 164 HA 0.01 0.08 0.63 -0.75 4.13 4.09 3koyB1 VAL 164 HB 0.04 -0.02 0.10 -0.04 2.12 2.20 3koyB1 VAL 164 HG13 0.02 -0.01 -0.06 -0.04 0.97 0.88 3koyB1 VAL 164 HG23 0.06 0.08 -0.25 -0.04 0.95 0.79 3koyB1 ALA 165 H -0.00 0.18 -0.47 -0.55 8.40 7.56 3koyB1 ALA 165 HA 0.01 0.15 0.78 -0.75 4.34 4.53 3koyB1 ALA 165 HB3 0.02 0.01 0.08 -0.04 1.41 1.48 3koyB1 GLY 166 H -0.01 0.18 -0.29 -0.55 8.43 7.76 3koyB1 GLY 166 HA2 -0.07 0.35 0.33 -0.51 4.01 4.10 3koyB1 GLY 166 HA3 -0.04 0.04 0.20 -0.51 4.01 3.70 3koyB1 PRO 167 HA -0.03 0.10 0.46 -0.51 4.44 4.47 3koyB1 PRO 167 HB2 0.01 0.00 0.03 -0.04 2.28 2.28 3koyB1 PRO 167 HB3 0.02 0.09 0.03 -0.04 2.02 2.12 3koyB1 PRO 167 HG2 0.03 0.07 0.10 -0.04 2.03 2.18 3koyB1 PRO 167 HG3 0.00 0.07 0.15 -0.04 2.03 2.21 3koyB1 PRO 167 HD2 0.00 0.06 0.08 -0.04 3.68 3.78 3koyB1 PRO 167 HD3 -0.01 0.12 0.08 -0.04 3.65 3.80 3koyB1 ASP 168 H -0.01 0.10 -0.27 -0.55 8.40 7.68 3koyB1 ASP 168 HA -0.02 0.05 0.39 -0.75 4.63 4.30 3koyB1 ASP 168 HB2 -0.03 0.16 0.02 -0.04 2.71 2.83 3koyB1 ASP 168 HB3 -0.02 -0.04 0.01 -0.04 2.70 2.61 3koyB1 ILE 169 H -0.10 0.51 -0.17 -0.55 8.25 7.95 3koyB1 ILE 169 HA -0.19 -0.07 0.22 -0.75 4.18 3.39 3koyB1 ILE 169 HB -0.25 0.17 0.15 -0.04 1.89 1.93 3koyB1 ILE 169 HG12 -0.14 -0.07 0.03 -0.04 1.49 1.26 3koyB1 ILE 169 HG13 -0.09 -0.12 0.04 -0.04 1.21 0.99 3koyB1 ILE 169 HG23 -0.85 0.01 -0.12 -0.04 0.93 -0.07 3koyB1 ILE 169 HD13 -0.08 0.04 -0.06 -0.04 0.88 0.73 3koyB1 ALA 170 H -0.16 0.60 -0.21 -0.55 8.40 8.10 3koyB1 ALA 170 HA -0.18 0.02 0.39 -0.75 4.34 3.81 3koyB1 ALA 170 HB3 -0.05 -0.01 0.07 -0.04 1.41 1.39 3koyB1 VAL 171 H -0.04 0.80 0.02 -0.55 8.24 8.47 3koyB1 VAL 171 HA -0.01 0.04 0.47 -0.75 4.13 3.87 3koyB1 VAL 171 HB -0.02 0.22 0.24 -0.04 2.12 2.52 3koyB1 VAL 171 HG13 -0.03 -0.03 -0.17 -0.04 0.97 0.70 3koyB1 VAL 171 HG23 -0.03 0.05 0.02 -0.04 0.95 0.96 3koyB1 MET 172 H 0.00 0.45 -0.12 -0.55 8.47 8.25 3koyB1 MET 172 HA 0.09 0.03 0.34 -0.75 4.52 4.22 3koyB1 MET 172 HB2 0.04 -0.03 0.08 -0.04 2.15 2.20 3koyB1 MET 172 HB3 0.05 0.12 0.04 -0.04 2.03 2.20 3koyB1 MET 172 HG2 0.13 0.03 0.12 -0.04 2.63 2.87 3koyB1 MET 172 HG3 0.07 -0.09 0.05 -0.04 2.56 2.55 3koyB1 MET 172 HE3 0.21 0.01 -0.11 -0.04 2.10 2.17 3koyB1 PHE 173 H 0.21 0.30 -0.58 -0.55 8.34 7.73 3koyB1 PHE 173 HA 0.08 0.02 0.48 -0.75 4.62 4.45 3koyB1 PHE 173 HB2 0.04 0.14 0.14 -0.04 3.15 3.42 3koyB1 PHE 173 HB3 0.04 0.04 -0.15 -0.04 3.06 2.95 3koyB1 PHE 173 HD2 0.01 -0.02 -0.24 -0.04 7.28 6.98 3koyB1 PHE 173 HE2 -0.01 -0.11 -0.32 -0.04 7.38 6.90 3koyB1 PHE 173 HZ 0.00 -0.11 -0.12 -0.04 7.32 7.06 3koyB1 ALA 174 H 0.22 0.48 -0.04 -0.55 8.40 8.51 3koyB1 ALA 174 HA 0.28 0.11 0.52 -0.75 4.34 4.49 3koyB1 ALA 174 HB3 0.30 0.01 0.06 -0.04 1.41 1.74 3koyB1 GLU 175 H 0.14 0.35 -0.20 -0.55 8.60 8.35 3koyB1 GLU 175 HA 0.13 0.10 0.48 -0.75 4.29 4.25 3koyB1 GLU 175 HB2 0.10 -0.05 0.10 -0.04 2.09 2.20 3koyB1 GLU 175 HB3 0.07 0.02 -0.05 -0.04 1.99 1.99 3koyB1 GLU 175 HG2 0.02 0.03 -0.12 -0.04 2.34 2.23 3koyB1 GLU 175 HG3 0.01 0.04 -0.10 -0.04 2.34 2.25 3koyB1 GLU 176 H 0.15 0.30 -0.25 -0.55 8.60 8.25 3koyB1 GLU 176 HA 0.06 0.13 0.35 -0.75 4.29 4.07 3koyB1 GLU 176 HB2 0.14 0.02 0.07 -0.04 2.09 2.28 3koyB1 GLU 176 HB3 0.12 -0.06 0.06 -0.04 1.99 2.06 3koyB1 GLU 176 HG2 0.13 0.14 0.13 -0.04 2.34 2.70 3koyB1 GLU 176 HG3 0.15 -0.16 0.05 -0.04 2.34 2.34 3koyB1 GLY 177 H 0.12 0.18 -0.74 -0.55 8.43 7.44 3koyB1 GLY 177 HA2 0.07 0.04 0.27 -0.51 4.01 3.88 3koyB1 GLY 177 HA3 0.04 0.07 0.33 -0.51 4.01 3.93 3koyB1 VAL 178 H 0.06 0.47 -0.02 -0.55 8.24 8.20 3koyB1 VAL 178 HA 0.11 0.06 0.74 -0.75 4.13 4.29 3koyB1 VAL 178 HB -0.21 -0.04 -0.02 -0.04 2.12 1.81 3koyB1 VAL 178 HG13 -0.46 -0.07 -0.17 -0.04 0.97 0.24 3koyB1 VAL 178 HG23 -0.44 -0.00 -0.09 -0.04 0.95 0.38 3koyB1 ASN 179 H 0.08 0.15 0.26 -0.55 8.53 8.48 3koyB1 ASN 179 HA 0.07 0.13 0.22 -0.75 4.76 4.43 3koyB1 ASN 179 HB2 0.07 -0.15 0.05 -0.04 2.88 2.82 3koyB1 ASN 179 HB3 0.02 0.21 -0.08 -0.04 2.79 2.90 3koyB1 ASN 179 HD21 -0.04 -0.02 -0.06 -0.04 7.03 6.87 3koyB1 ASN 179 HD22 -0.07 0.88 0.01 -0.04 7.74 8.52 3koyB1 GLY 180 H -0.00 0.41 0.07 -0.55 8.43 8.36 3koyB1 GLY 180 HA2 -0.07 0.16 0.64 -0.51 4.01 4.23 3koyB1 GLY 180 HA3 0.08 -0.03 0.29 -0.51 4.01 3.83 3koyB1 ALA 181 H -0.27 0.77 0.32 -0.55 8.40 8.68 3koyB1 ALA 181 HA -0.96 0.12 0.59 -0.75 4.34 3.33 3koyB1 ALA 181 HB3 0.00 -0.01 -0.09 -0.04 1.41 1.27 3koyB1 HIS 182 H 0.03 0.31 0.31 -0.55 8.41 8.51 3koyB1 HIS 182 HA -0.02 0.36 0.88 -0.75 4.63 5.10 3koyB1 HIS 182 HB2 -0.16 -0.14 0.18 -0.04 3.26 3.10 3koyB1 HIS 182 HB3 0.01 -0.10 -0.08 -0.04 3.20 2.98 3koyB1 HIS 182 HD2 0.18 -0.09 -0.21 -0.04 6.97 6.81 3koyB1 HIS 182 HE1 -0.30 0.03 -0.19 -0.04 7.75 7.25 3koyB1 GLN 183 H -0.01 0.49 0.13 -0.55 8.47 8.54 3koyB1 GLN 183 HA 0.03 -0.06 0.30 -0.75 4.36 3.88 3koyB1 GLN 183 HB2 -0.00 0.09 -0.35 -0.04 2.15 1.84 3koyB1 GLN 183 HB3 -0.00 0.05 -0.02 -0.04 2.02 2.00 3koyB1 GLN 183 HG2 -0.01 0.00 -0.09 -0.04 2.40 2.26 3koyB1 GLN 183 HG3 -0.02 0.05 -0.17 -0.04 2.39 2.22 3koyB1 GLN 183 HE21 -0.05 -0.05 -0.17 -0.04 6.97 6.65 3koyB1 GLN 183 HE22 -0.02 0.08 -0.19 -0.04 7.69 7.51 3koyB1 ASP 184 H 0.03 0.16 -0.10 -0.55 8.40 7.94 3koyB1 ASP 184 HA -0.01 0.32 0.73 -0.75 4.63 4.92 3koyB1 ASP 184 HB2 0.07 0.11 -0.13 -0.04 2.71 2.71 3koyB1 ASP 184 HB3 0.14 -0.09 0.15 -0.04 2.70 2.85 3koyB1 PRO 185 HA -0.20 0.07 0.30 -0.51 4.44 4.10 3koyB1 PRO 185 HB2 -1.85 0.02 -0.15 -0.04 2.28 0.26 3koyB1 PRO 185 HB3 -0.62 0.17 -0.07 -0.04 2.02 1.45 3koyB1 PRO 185 HG2 -0.99 0.00 -0.01 -0.04 2.03 0.99 3koyB1 PRO 185 HG3 -0.73 0.17 0.01 -0.04 2.03 1.44 3koyB1 PRO 185 HD2 -0.12 0.16 0.17 -0.04 3.68 3.84 3koyB1 PRO 185 HD3 -0.09 0.23 0.01 -0.04 3.65 3.75 3koyB1 GLN 186 H -0.16 0.10 -0.54 -0.55 8.47 7.32 3koyB1 GLN 186 HA 0.04 0.10 0.39 -0.75 4.36 4.13 3koyB1 GLN 186 HB2 0.01 -0.03 -0.05 -0.04 2.15 2.04 3koyB1 GLN 186 HB3 -0.06 0.05 0.01 -0.04 2.02 1.97 3koyB1 GLN 186 HG2 -0.04 0.04 -0.06 -0.04 2.40 2.30 3koyB1 GLN 186 HG3 -0.14 -0.05 -0.03 -0.04 2.39 2.13 3koyB1 GLN 186 HE21 -0.01 0.52 0.22 -0.04 6.97 7.66 3koyB1 GLN 186 HE22 -0.03 -0.10 0.05 -0.04 7.69 7.57 3koyB1 TYR 187 H 0.16 0.40 -0.17 -0.55 8.29 8.13 3koyB1 TYR 187 HA 0.34 0.07 0.45 -0.75 4.56 4.66 3koyB1 TYR 187 HB2 0.13 -0.08 0.08 -0.04 3.06 3.16 3koyB1 TYR 187 HB3 0.06 0.09 0.12 -0.04 2.98 3.21 3koyB1 TYR 187 HD2 0.04 -0.02 -0.16 -0.04 7.15 6.97 3koyB1 TYR 187 HE2 -0.09 0.02 -0.10 -0.04 6.85 6.64 3koyB1 ASN 188 H 0.13 0.23 -0.23 -0.55 8.53 8.10 3koyB1 ASN 188 HA 0.03 -0.02 0.19 -0.75 4.76 4.22 3koyB1 ASN 188 HB2 -0.01 0.18 0.02 -0.04 2.88 3.04 3koyB1 ASN 188 HB3 0.01 0.01 -0.10 -0.04 2.79 2.67 3koyB1 ASN 188 HD21 0.01 -0.00 -0.06 -0.04 7.03 6.95 3koyB1 ASN 188 HD22 -0.04 0.03 -0.02 -0.04 7.74 7.66 3koyB1 VAL 189 H -0.03 0.22 -0.47 -0.55 8.24 7.41 3koyB1 VAL 189 HA -0.03 0.33 0.40 -0.75 4.13 4.07 3koyB1 VAL 189 HB 0.04 -0.05 0.11 -0.04 2.12 2.18 3koyB1 VAL 189 HG13 -0.04 0.01 -0.21 -0.04 0.97 0.69 3koyB1 VAL 189 HG23 0.20 0.02 -0.15 -0.04 0.95 0.99 3koyB1 LEU 190 H -0.26 0.39 0.04 -0.55 8.37 8.01 3koyB1 LEU 190 HA -0.29 0.07 0.28 -0.75 4.35 3.65 3koyB1 LEU 190 HB2 -1.32 0.01 0.13 -0.04 1.64 0.42 3koyB1 LEU 190 HB3 -0.98 0.01 -0.04 -0.04 1.64 0.58 3koyB1 LEU 190 HG -0.33 0.01 0.11 -0.04 1.64 1.39 3koyB1 LEU 190 HD13 -0.33 -0.03 -0.06 -0.04 0.93 0.47 3koyB1 LEU 190 HD23 -0.27 -0.00 -0.05 -0.04 0.89 0.53 3koyB1 TYR 191 H -0.49 0.41 -0.05 -0.55 8.29 7.61 3koyB1 TYR 191 HA -0.15 0.21 0.48 -0.75 4.56 4.35 3koyB1 TYR 191 HB2 -0.85 -0.01 -0.01 -0.04 3.06 2.14 3koyB1 TYR 191 HB3 -0.28 0.02 0.02 -0.04 2.98 2.70 3koyB1 TYR 191 HD2 -0.28 0.03 -0.03 -0.04 7.15 6.82 3koyB1 TYR 191 HE2 -0.01 -0.02 -0.18 -0.04 6.85 6.59 3koyB1 ARG 192 H -0.20 0.21 -0.20 -0.55 8.46 7.72 3koyB1 ARG 192 HA -0.00 0.23 0.89 -0.75 4.34 4.70 3koyB1 ARG 192 HB2 -0.11 -0.03 0.01 -0.04 1.90 1.73 3koyB1 ARG 192 HB3 -0.15 -0.03 0.02 -0.04 1.80 1.60 3koyB1 ARG 192 HG2 -0.07 -0.02 -0.22 -0.04 1.67 1.33 3koyB1 ARG 192 HG3 -0.01 -0.14 -0.08 -0.04 1.67 1.40 3koyB1 ARG 192 HD2 0.06 -0.00 0.04 -0.04 3.22 3.27 3koyB1 ARG 192 HD3 0.04 0.27 0.04 -0.04 3.22 3.53 3koyB1 ASN 193 H -0.07 0.22 -0.26 -0.55 8.53 7.87 3koyB1 ASN 193 HA -0.03 0.22 0.33 -0.75 4.76 4.52 3koyB1 ASN 193 HB2 0.01 0.04 -0.17 -0.04 2.88 2.72 3koyB1 ASN 193 HB3 0.05 0.02 0.12 -0.04 2.79 2.94 3koyB1 ASN 193 HD21 -0.01 -0.05 0.05 -0.04 7.03 6.97 3koyB1 ASN 193 HD22 0.00 0.03 0.02 -0.04 7.74 7.76 3koyB1 ILE 194 H -0.03 0.63 -0.15 -0.55 8.25 8.15 3koyB1 ILE 194 HA 0.02 0.06 0.65 -0.75 4.18 4.16 3koyB1 ILE 194 HB -0.01 -0.07 -0.16 -0.04 1.89 1.62 3koyB1 ILE 194 HG12 -0.01 0.02 -0.10 -0.04 1.49 1.36 3koyB1 ILE 194 HG13 -0.07 0.08 -0.21 -0.04 1.21 0.98 3koyB1 ILE 194 HG23 0.01 0.04 -0.12 -0.04 0.93 0.82 3koyB1 ILE 194 HD13 -0.06 -0.02 -0.24 -0.04 0.88 0.51 3koyB1 ASN 195 H 0.01 0.50 0.04 -0.55 8.53 8.54 3koyB1 ASN 195 HA -0.03 0.18 0.38 -0.75 4.76 4.54 3koyB1 ASN 195 HB2 -0.02 0.25 -0.29 -0.04 2.88 2.78 3koyB1 ASN 195 HB3 -0.01 -0.04 0.01 -0.04 2.79 2.72 3koyB1 ASN 195 HD21 -0.12 0.12 0.11 -0.04 7.03 7.10 3koyB1 ASN 195 HD22 -0.07 0.69 0.09 -0.04 7.74 8.41 3koyB1 MET 196 H -0.06 0.26 0.09 -0.55 8.47 8.21 3koyB1 MET 196 HA 0.19 0.08 0.20 -0.75 4.52 4.23 3koyB1 MET 196 HB2 0.26 -0.03 -0.01 -0.04 2.15 2.32 3koyB1 MET 196 HB3 0.00 0.09 0.01 -0.04 2.03 2.10 3koyB1 MET 196 HG2 -0.33 0.09 0.10 -0.04 2.63 2.45 3koyB1 MET 196 HG3 -0.87 -0.00 -0.08 -0.04 2.56 1.57 3koyB1 MET 196 HE3 -0.10 0.05 -0.29 -0.04 2.10 1.72 3koyB1 ILE 197 H -0.18 0.21 -0.03 -0.55 8.25 7.70 3koyB1 ILE 197 HA 0.14 0.08 0.39 -0.75 4.18 4.04 3koyB1 ILE 197 HB -0.08 -0.06 0.09 -0.04 1.89 1.80 3koyB1 ILE 197 HG12 -0.76 -0.04 0.07 -0.04 1.49 0.72 3koyB1 ILE 197 HG13 -0.34 0.07 0.22 -0.04 1.21 1.12 3koyB1 ILE 197 HG23 0.03 0.01 -0.02 -0.04 0.93 0.91 3koyB1 ILE 197 HD13 -0.21 -0.00 0.07 -0.04 0.88 0.70 3koyB1 ARG 198 H -0.00 0.08 -0.17 -0.55 8.46 7.82 3koyB1 ARG 198 HA 0.05 0.03 0.41 -0.75 4.34 4.07 3koyB1 ARG 198 HB2 0.01 0.03 0.10 -0.04 1.90 1.99 3koyB1 ARG 198 HB3 0.02 0.04 0.08 -0.04 1.80 1.89 3koyB1 ARG 198 HG2 0.03 0.07 0.01 -0.04 1.67 1.74 3koyB1 ARG 198 HG3 0.03 -0.01 -0.32 -0.04 1.67 1.33 3koyB1 ARG 198 HD2 0.05 -0.12 0.02 -0.04 3.22 3.13 3koyB1 ARG 198 HD3 0.04 0.03 -0.01 -0.04 3.22 3.24 3koyB1 SER 199 H 0.07 0.75 -0.22 -0.55 8.46 8.51 3koyB1 SER 199 HA 0.02 -0.01 0.22 -0.75 4.49 3.97 3koyB1 SER 199 HB2 0.04 0.06 -0.15 -0.04 3.95 3.87 3koyB1 SER 199 HB3 0.16 0.07 0.04 -0.04 3.93 4.16 3koyB1 PHE 200 H 0.37 0.63 -0.08 -0.55 8.34 8.70 3koyB1 PHE 200 HA -0.01 -0.04 0.43 -0.75 4.62 4.25 3koyB1 PHE 200 HB2 0.13 0.15 0.14 -0.04 3.15 3.53 3koyB1 PHE 200 HB3 -0.02 0.01 -0.02 -0.04 3.06 2.99 3koyB1 PHE 200 HD2 -0.33 0.14 0.01 -0.04 7.28 7.06 3koyB1 PHE 200 HE2 -0.42 0.02 -0.12 -0.04 7.38 6.82 3koyB1 PHE 200 HZ -0.82 -0.04 -0.13 -0.04 7.32 6.28 3koyB1 ILE 201 H 0.18 0.55 -0.21 -0.55 8.25 8.22 3koyB1 ILE 201 HA 0.14 0.05 0.58 -0.75 4.18 4.20 3koyB1 ILE 201 HB 0.10 0.11 0.22 -0.04 1.89 2.29 3koyB1 ILE 201 HG12 0.13 -0.03 0.03 -0.04 1.49 1.57 3koyB1 ILE 201 HG13 0.18 -0.03 0.03 -0.04 1.21 1.34 3koyB1 ILE 201 HG23 0.09 -0.02 -0.09 -0.04 0.93 0.88 3koyB1 ILE 201 HD13 0.09 -0.01 -0.09 -0.04 0.88 0.83 3koyB1 ASP 202 H 0.06 0.60 0.10 -0.55 8.40 8.61 3koyB1 ASP 202 HA 0.03 -0.01 0.47 -0.75 4.63 4.36 3koyB1 ASP 202 HB2 0.01 0.16 0.09 -0.04 2.71 2.93 3koyB1 ASP 202 HB3 0.00 -0.13 0.01 -0.04 2.70 2.54 3koyB1 ALA 203 H 0.01 0.40 -0.54 -0.55 8.40 7.72 3koyB1 ALA 203 HA -0.03 -0.05 0.21 -0.75 4.34 3.71 3koyB1 ALA 203 HB3 0.02 0.04 0.04 -0.04 1.41 1.47 3koyB1 CYS 204 H -0.06 0.44 -0.26 -0.55 8.50 8.07 3koyB1 CYS 204 HA -0.62 0.06 0.35 -0.75 4.58 3.62 3koyB1 CYS 204 HB2 -0.32 0.12 0.16 -0.04 2.97 2.88 3koyB1 CYS 204 HB3 -2.17 -0.01 -0.00 -0.04 2.97 0.74 3koyB1 GLU 205 H -0.11 0.26 -0.21 -0.55 8.60 8.01 3koyB1 GLU 205 HA -0.03 0.05 0.55 -0.75 4.29 4.10 3koyB1 GLU 205 HB2 -0.01 -0.03 0.15 -0.04 2.09 2.16 3koyB1 GLU 205 HB3 -0.01 0.05 0.23 -0.04 1.99 2.23 3koyB1 GLU 205 HG2 0.05 -0.04 0.03 -0.04 2.34 2.34 3koyB1 GLU 205 HG3 0.01 0.03 -0.09 -0.04 2.34 2.25 3koyB1 SER 206 H -0.04 0.60 0.07 -0.55 8.46 8.54 3koyB1 SER 206 HA -0.02 -0.02 0.28 -0.75 4.49 3.97 3koyB1 SER 206 HB2 -0.04 0.03 -0.00 -0.04 3.95 3.89 3koyB1 SER 206 HB3 -0.04 0.02 -0.13 -0.04 3.93 3.75 3koyB1 LYS 207 H -0.09 0.79 -0.18 -0.55 8.42 8.39 3koyB1 LYS 207 HA -0.03 -0.03 0.31 -0.75 4.32 3.82 3koyB1 LYS 207 HB2 -0.20 0.13 0.01 -0.04 1.87 1.76 3koyB1 LYS 207 HB3 -0.11 -0.02 -0.00 -0.04 1.79 1.62 3koyB1 LYS 207 HG2 -0.04 -0.09 -0.05 -0.04 1.46 1.25 3koyB1 LYS 207 HG3 -0.06 0.11 -0.00 -0.04 1.46 1.47 3koyB1 LYS 207 HD2 -0.30 0.05 -0.12 -0.04 1.69 1.28 3koyB1 LYS 207 HD3 -0.06 0.01 -0.02 -0.04 1.68 1.57 3koyB1 LYS 207 HE2 0.20 -0.09 -0.11 -0.04 2.99 2.95 3koyB1 LYS 207 HE3 0.32 -0.00 -0.04 -0.04 2.99 3.22 3koyB1 THR 208 H -0.06 0.37 -0.46 -0.55 8.28 7.58 3koyB1 THR 208 HA 0.05 0.09 0.59 -0.75 4.39 4.36 3koyB1 THR 208 HB 0.04 0.05 0.13 -0.04 4.32 4.51 3koyB1 THR 208 HG23 0.11 -0.02 -0.27 -0.04 1.22 1.00 3koyB1 ILE 209 H 0.02 0.49 0.07 -0.55 8.25 8.29 3koyB1 ILE 209 HA 0.06 0.03 0.47 -0.75 4.18 3.98 3koyB1 ILE 209 HB 0.03 0.06 0.07 -0.04 1.89 2.01 3koyB1 ILE 209 HG12 -0.04 0.09 0.06 -0.04 1.49 1.57 3koyB1 ILE 209 HG13 0.00 0.13 0.04 -0.04 1.21 1.34 3koyB1 ILE 209 HG23 0.03 -0.03 -0.27 -0.04 0.93 0.62 3koyB1 ILE 209 HD13 -0.02 -0.06 -0.04 -0.04 0.88 0.73 3koyB1 MET 210 H 0.06 0.55 -0.25 -0.55 8.47 8.28 3koyB1 MET 210 HA 0.14 0.02 0.30 -0.75 4.52 4.22 3koyB1 MET 210 HB2 0.03 0.05 0.01 -0.04 2.15 2.19 3koyB1 MET 210 HB3 0.03 0.01 -0.18 -0.04 2.03 1.85 3koyB1 MET 210 HG2 0.08 0.02 -0.13 -0.04 2.63 2.55 3koyB1 MET 210 HG3 0.06 -0.00 -0.08 -0.04 2.56 2.50 3koyB1 MET 210 HE3 -0.02 0.03 -0.21 -0.04 2.10 1.86 3koyB1 ALA 211 H 0.09 0.42 -0.25 -0.55 8.40 8.10 3koyB1 ALA 211 HA 0.04 0.01 0.49 -0.75 4.34 4.13 3koyB1 ALA 211 HB3 0.06 0.02 0.02 -0.04 1.41 1.47 3koyB1 TRP 212 H 0.29 0.47 -0.28 -0.55 7.97 7.91 3koyB1 TRP 212 HA 0.02 0.03 0.51 -0.75 4.62 4.43 3koyB1 TRP 212 HB2 0.03 -0.06 0.10 -0.04 3.23 3.25 3koyB1 TRP 212 HB3 0.03 0.28 0.21 -0.04 3.23 3.71 3koyB1 TRP 212 HD1 0.02 -0.04 0.01 -0.04 7.22 7.17 3koyB1 TRP 212 HE1 0.02 -0.06 -0.04 -0.04 10.20 10.08 3koyB1 TRP 212 HE3 0.03 0.07 -0.11 -0.04 7.59 7.54 3koyB1 TRP 212 HZ2 0.01 0.06 -0.03 -0.04 7.44 7.44 3koyB1 TRP 212 HZ3 0.03 0.20 -0.03 -0.04 7.13 7.29 3koyB1 TRP 212 HH2 0.01 0.13 0.03 -0.04 7.19 7.32 3koyB1 ALA 213 H 0.35 0.37 -0.09 -0.55 8.40 8.48 3koyB1 ALA 213 HA -0.30 0.07 0.31 -0.75 4.34 3.67 3koyB1 ALA 213 HB3 0.28 -0.02 0.10 -0.04 1.41 1.73 3koyB1 ASP 214 H -0.06 0.19 -1.42 -0.55 8.40 6.56 3koyB1 ASP 214 HA -0.03 0.08 0.27 -0.75 4.63 4.19 3koyB1 ASP 214 HB2 -0.12 0.04 0.04 -0.04 2.71 2.62 3koyB1 ASP 214 HB3 -0.10 0.06 0.01 -0.04 2.70 2.62 3koyB1 MET 215 H 0.02 0.41 -0.09 -0.55 8.47 8.26 3koyB1 MET 215 HA 0.04 0.25 0.65 -0.75 4.52 4.71 3koyB1 MET 215 HB2 0.01 -0.12 -0.15 -0.04 2.15 1.85 3koyB1 MET 215 HB3 -0.00 -0.06 -0.23 -0.04 2.03 1.71 3koyB1 MET 215 HG2 0.06 0.22 -0.17 -0.04 2.63 2.70 3koyB1 MET 215 HG3 0.08 -0.07 -0.25 -0.04 2.56 2.28 3koyB1 MET 215 HE3 0.03 -0.04 -0.44 -0.04 2.10 1.62 3koyB1 ALA 216 H -0.11 0.44 0.37 -0.55 8.40 8.56 3koyB1 ALA 216 HA -0.26 0.24 1.02 -0.75 4.34 4.59 3koyB1 ALA 216 HB3 -1.13 -0.01 0.07 -0.04 1.41 0.29 3koyB1 GLN 217 H -0.16 0.92 0.38 -0.55 8.47 9.06 3koyB1 GLN 217 HA -0.12 0.36 1.10 -0.75 4.36 4.94 3koyB1 GLN 217 HB2 -0.05 0.04 -0.08 -0.04 2.15 2.01 3koyB1 GLN 217 HB3 -0.04 -0.02 0.14 -0.04 2.02 2.05 3koyB1 GLN 217 HG2 -0.05 -0.07 -0.19 -0.04 2.40 2.05 3koyB1 GLN 217 HG3 -0.04 -0.05 -0.01 -0.04 2.39 2.25 3koyB1 GLN 217 HE21 0.03 0.00 -0.02 -0.04 6.97 6.95 3koyB1 GLN 217 HE22 0.01 -0.06 -0.04 -0.04 7.69 7.55 3koyB1 ILE 218 H -0.16 0.51 0.33 -0.55 8.25 8.39 3koyB1 ILE 218 HA -0.17 0.38 0.93 -0.75 4.18 4.56 3koyB1 ILE 218 HB -0.70 -0.10 -0.03 -0.04 1.89 1.02 3koyB1 ILE 218 HG12 -0.19 0.09 -0.21 -0.04 1.49 1.15 3koyB1 ILE 218 HG13 -0.06 0.04 -0.36 -0.04 1.21 0.78 3koyB1 ILE 218 HG23 -0.48 0.03 -0.16 -0.04 0.93 0.29 3koyB1 ILE 218 HD13 -0.15 -0.01 -0.21 -0.04 0.88 0.46 3koyB1 ASP 219 H -0.07 0.35 0.25 -0.55 8.40 8.38 3koyB1 ASP 219 HA 0.02 0.15 0.58 -0.75 4.63 4.63 3koyB1 ASP 219 HB2 0.06 -0.19 0.18 -0.04 2.71 2.73 3koyB1 ASP 219 HB3 0.04 0.19 0.07 -0.04 2.70 2.97 3koyB1 GLY 223 H 0.14 0.11 0.11 -0.55 8.43 8.24 3koyB1 GLY 223 HA2 0.50 0.29 0.70 -0.51 4.01 4.99 3koyB1 GLY 223 HA3 0.26 0.01 0.26 -0.51 4.01 4.03 3koyB1 ALA 224 H 0.10 0.11 -0.08 -0.55 8.40 7.98 3koyB1 ALA 224 HA 0.02 0.03 0.37 -0.75 4.34 4.00 3koyB1 ALA 224 HB3 -0.36 0.07 0.04 -0.04 1.41 1.12 3koyB1 HIS 225 H 0.58 0.20 -0.36 -0.55 8.41 8.29 3koyB1 HIS 225 HA 0.03 0.04 0.36 -0.75 4.63 4.30 3koyB1 HIS 225 HB2 0.04 0.01 -0.01 -0.04 3.26 3.27 3koyB1 HIS 225 HB3 0.07 0.11 -0.12 -0.04 3.20 3.21 3koyB1 HIS 225 HD2 0.05 0.02 -0.19 -0.04 6.97 6.81 3koyB1 HIS 225 HE1 0.22 0.04 0.03 -0.04 7.75 7.99 3koyB1 ASN 226 H -0.22 0.72 -0.49 -0.55 8.53 8.00 3koyB1 ASN 226 HA -0.38 0.09 0.65 -0.75 4.76 4.36 3koyB1 ASN 226 HB2 -0.48 0.13 0.08 -0.04 2.88 2.57 3koyB1 ASN 226 HB3 -1.31 -0.01 -0.05 -0.04 2.79 1.38 3koyB1 ASN 226 HD21 -0.05 -0.02 -0.04 -0.04 7.03 6.87 3koyB1 ASN 226 HD22 -0.08 0.10 0.09 -0.04 7.74 7.81 3koyB1 ALA 227 H -0.05 0.56 -0.01 -0.55 8.40 8.36 3koyB1 ALA 227 HA 0.10 0.02 0.34 -0.75 4.34 4.05 3koyB1 ALA 227 HB3 0.09 0.01 0.06 -0.04 1.41 1.53 3koyB1 ASN 228 H -0.01 0.08 -0.34 -0.55 8.53 7.72 3koyB1 ASN 228 HA -0.01 0.05 0.44 -0.75 4.76 4.48 3koyB1 ASN 228 HB2 0.01 0.21 0.09 -0.04 2.88 3.15 3koyB1 ASN 228 HB3 -0.02 -0.01 -0.08 -0.04 2.79 2.64 3koyB1 ASN 228 HD21 0.10 0.12 -0.01 -0.04 7.03 7.20 3koyB1 ASN 228 HD22 0.09 -0.11 0.02 -0.04 7.74 7.69 3koyB1 ALA 229 H -0.09 0.20 -0.17 -0.55 8.40 7.79 3koyB1 ALA 229 HA -0.11 -0.01 0.35 -0.75 4.34 3.82 3koyB1 ALA 229 HB3 -0.12 0.03 0.08 -0.04 1.41 1.36 3koyB1 THR 230 H -0.07 0.38 -0.20 -0.55 8.28 7.84 3koyB1 THR 230 HA -0.02 0.07 0.12 -0.75 4.39 3.81 3koyB1 THR 230 HB 0.08 -0.01 0.05 -0.04 4.32 4.39 3koyB1 THR 230 HG23 0.01 -0.00 -0.03 -0.04 1.22 1.15 3koyB1 ALA 231 H -0.02 0.37 -0.50 -0.55 8.40 7.71 3koyB1 ALA 231 HA -0.01 -0.03 0.46 -0.75 4.34 4.01 3koyB1 ALA 231 HB3 -0.05 0.01 -0.11 -0.04 1.41 1.23 3koyB1 ARG 232 H -0.05 0.06 0.09 -0.55 8.46 8.00 3koyB1 ARG 232 HA -0.02 0.13 0.48 -0.75 4.34 4.17 3koyB1 ARG 232 HB2 -0.08 -0.07 0.21 -0.04 1.90 1.91 3koyB1 ARG 232 HB3 -0.06 -0.01 0.01 -0.04 1.80 1.70 3koyB1 ARG 232 HG2 -0.02 0.06 0.08 -0.04 1.67 1.74 3koyB1 ARG 232 HG3 -0.02 -0.05 0.06 -0.04 1.67 1.62 3koyB1 ARG 232 HD2 -0.00 -0.04 0.03 -0.04 3.22 3.17 3koyB1 ARG 232 HD3 -0.00 0.01 0.06 -0.04 3.22 3.25 3koyB1 GLU 233 H -0.24 0.16 -0.02 -0.55 8.60 7.96 3koyB1 GLU 233 HA -0.20 0.24 0.94 -0.75 4.29 4.52 3koyB1 GLU 233 HB2 -1.01 0.01 0.13 -0.04 2.09 1.18 3koyB1 GLU 233 HB3 -2.91 -0.07 0.03 -0.04 1.99 -1.00 3koyB1 GLU 233 HG2 -0.15 0.04 -0.05 -0.04 2.34 2.13 3koyB1 GLU 233 HG3 -0.20 -0.02 -0.45 -0.04 2.34 1.63 3koyB1 ALA 234 H 0.25 0.26 0.07 -0.55 8.40 8.43 3koyB1 ALA 234 HA -0.04 0.11 0.15 -0.75 4.34 3.81 3koyB1 ALA 234 HB3 0.25 0.05 0.11 -0.04 1.41 1.78 3koyB1 TRP 235 H 0.03 0.07 -0.36 -0.55 7.97 7.16 3koyB1 TRP 235 HA -0.08 0.15 0.56 -0.75 4.62 4.50 3koyB1 TRP 235 HB2 -0.09 0.04 0.07 -0.04 3.23 3.20 3koyB1 TRP 235 HB3 -0.04 -0.01 -0.04 -0.04 3.23 3.10 3koyB1 TRP 235 HD1 -0.14 0.02 -0.14 -0.04 7.22 6.91 3koyB1 TRP 235 HE1 -0.04 0.01 -0.05 -0.04 10.20 10.08 3koyB1 TRP 235 HE3 0.01 -0.02 -0.02 -0.04 7.59 7.52 3koyB1 TRP 235 HZ2 -0.02 0.02 -0.02 -0.04 7.44 7.38 3koyB1 TRP 235 HZ3 -0.06 0.07 0.05 -0.04 7.13 7.15 3koyB1 TRP 235 HH2 -0.02 0.05 0.00 -0.04 7.19 7.18 3koyB1 LYS 236 H -0.58 0.44 -0.23 -0.55 8.42 7.50 3koyB1 LYS 236 HA -0.58 0.14 0.75 -0.75 4.32 3.87 3koyB1 LYS 236 HB2 -0.32 0.21 -0.04 -0.04 1.87 1.68 3koyB1 LYS 236 HB3 -0.08 -0.07 -0.08 -0.04 1.79 1.51 3koyB1 LYS 236 HG2 -0.38 -0.01 -0.03 -0.04 1.46 1.00 3koyB1 LYS 236 HG3 -1.15 -0.11 -0.06 -0.04 1.46 0.10 3koyB1 LYS 236 HD2 -0.36 0.13 0.08 -0.04 1.69 1.49 3koyB1 LYS 236 HD3 -0.12 -0.11 0.04 -0.04 1.68 1.45 3koyB1 LYS 236 HE2 -0.05 -0.02 -0.01 -0.04 2.99 2.87 3koyB1 LYS 236 HE3 -0.30 -0.02 -0.01 -0.04 2.99 2.62 3koyB1 VAL 237 H -0.13 0.28 -0.38 -0.55 8.24 7.46 3koyB1 VAL 237 HA 0.03 0.22 0.59 -0.75 4.13 4.21 3koyB1 VAL 237 HB -0.06 0.06 -0.05 -0.04 2.12 2.03 3koyB1 VAL 237 HG13 -0.06 0.07 -0.19 -0.04 0.97 0.75 3koyB1 VAL 237 HG23 0.03 0.01 -0.01 -0.04 0.95 0.94 3koyB1 MET 238 H -0.09 0.20 -0.30 -0.55 8.47 7.74 3koyB1 MET 238 HA -0.32 0.00 0.30 -0.75 4.52 3.75 3koyB1 MET 238 HB2 0.03 0.08 0.03 -0.04 2.15 2.25 3koyB1 MET 238 HB3 -0.32 -0.03 0.03 -0.04 2.03 1.68 3koyB1 MET 238 HG2 -0.49 -0.00 0.03 -0.04 2.63 2.12 3koyB1 MET 238 HG3 -0.16 0.01 -0.02 -0.04 2.56 2.35 3koyB1 MET 238 HE3 0.05 -0.01 0.01 -0.04 2.10 2.10 3koyB1 PRO 239 HA 0.15 0.07 0.41 -0.51 4.44 4.56 3koyB1 PRO 239 HB2 0.30 -0.02 -0.01 -0.04 2.28 2.52 3koyB1 PRO 239 HB3 0.27 0.08 -0.12 -0.04 2.02 2.21 3koyB1 PRO 239 HG2 0.40 0.13 0.03 -0.04 2.03 2.55 3koyB1 PRO 239 HG3 0.34 0.06 0.02 -0.04 2.03 2.41 3koyB1 PRO 239 HD2 0.23 0.18 -0.29 -0.04 3.68 3.76 3koyB1 PRO 239 HD3 0.33 0.09 -0.00 -0.04 3.65 4.02 3koyB1 GLU 240 H 0.08 0.25 -0.26 -0.55 8.60 8.12 3koyB1 GLU 240 HA -0.55 0.01 0.32 -0.75 4.29 3.31 3koyB1 GLU 240 HB2 0.08 0.04 0.12 -0.04 2.09 2.29 3koyB1 GLU 240 HB3 0.05 0.18 0.14 -0.04 1.99 2.32 3koyB1 GLU 240 HG2 0.09 0.00 -0.26 -0.04 2.34 2.12 3koyB1 GLU 240 HG3 0.03 -0.06 0.06 -0.04 2.34 2.32 3koyB1 LEU 241 H -0.00 0.50 -0.14 -0.55 8.37 8.18 3koyB1 LEU 241 HA -0.05 -0.06 0.46 -0.75 4.35 3.94 3koyB1 LEU 241 HB2 0.10 0.14 0.11 -0.04 1.64 1.96 3koyB1 LEU 241 HB3 0.19 -0.05 -0.05 -0.04 1.64 1.70 3koyB1 LEU 241 HG -0.04 0.20 -0.10 -0.04 1.64 1.65 3koyB1 LEU 241 HD13 -0.17 -0.00 -0.11 -0.04 0.93 0.61 3koyB1 LEU 241 HD23 0.02 -0.06 -0.12 -0.04 0.89 0.69 3koyB1 MET 242 H 0.16 0.60 -0.10 -0.55 8.47 8.59 3koyB1 MET 242 HA 0.33 -0.01 0.26 -0.75 4.52 4.34 3koyB1 MET 242 HB2 0.14 0.09 0.11 -0.04 2.15 2.45 3koyB1 MET 242 HB3 0.28 -0.02 0.01 -0.04 2.03 2.26 3koyB1 MET 242 HG2 0.46 -0.09 0.00 -0.04 2.63 2.96 3koyB1 MET 242 HG3 0.28 0.33 0.06 -0.04 2.56 3.18 3koyB1 MET 242 HE3 0.25 -0.00 -0.10 -0.04 2.10 2.20 3koyB1 VAL 243 H -0.08 0.45 -0.18 -0.55 8.24 7.88 3koyB1 VAL 243 HA 0.00 0.04 0.46 -0.75 4.13 3.88 3koyB1 VAL 243 HB -0.45 0.10 0.16 -0.04 2.12 1.89 3koyB1 VAL 243 HG13 -0.01 -0.03 -0.19 -0.04 0.97 0.70 3koyB1 VAL 243 HG23 -0.48 0.01 0.00 -0.04 0.95 0.45 3koyB1 GLN 244 H -0.01 0.74 0.00 -0.55 8.47 8.65 3koyB1 GLN 244 HA 0.04 -0.07 0.35 -0.75 4.36 3.93 3koyB1 GLN 244 HB2 -0.08 0.18 0.24 -0.04 2.15 2.45 3koyB1 GLN 244 HB3 -0.06 -0.18 0.00 -0.04 2.02 1.74 3koyB1 GLN 244 HG2 0.09 -0.07 0.03 -0.04 2.40 2.40 3koyB1 GLN 244 HG3 0.15 0.18 0.05 -0.04 2.39 2.73 3koyB1 GLN 244 HE21 0.26 -0.00 -0.06 -0.04 6.97 7.12 3koyB1 GLN 244 HE22 0.26 0.02 -0.04 -0.04 7.69 7.89 3koyB1 HIS 245 H -0.04 0.79 -0.08 -0.55 8.41 8.54 3koyB1 HIS 245 HA -0.02 -0.11 0.45 -0.75 4.63 4.20 3koyB1 HIS 245 HB2 -0.12 0.16 0.08 -0.04 3.26 3.34 3koyB1 HIS 245 HB3 -0.47 0.02 -0.06 -0.04 3.20 2.65 3koyB1 HIS 245 HD2 -0.07 0.01 -0.31 -0.04 6.97 6.55 3koyB1 HIS 245 HE1 -0.04 0.07 -0.20 -0.04 7.75 7.53 3koyB1 ALA 246 H 0.33 0.59 -0.15 -0.55 8.40 8.63 3koyB1 ALA 246 HA 0.18 0.01 0.37 -0.75 4.34 4.14 3koyB1 ALA 246 HB3 0.07 0.03 0.14 -0.04 1.41 1.61 3koyB1 LEU 247 H 0.06 0.75 0.02 -0.55 8.37 8.65 3koyB1 LEU 247 HA 0.01 0.02 0.34 -0.75 4.35 3.97 3koyB1 LEU 247 HB2 -0.04 0.02 0.11 -0.04 1.64 1.69 3koyB1 LEU 247 HB3 -0.16 -0.07 0.01 -0.04 1.64 1.38 3koyB1 LEU 247 HG 0.05 0.16 -0.02 -0.04 1.64 1.80 3koyB1 LEU 247 HD13 0.03 -0.03 -0.05 -0.04 0.93 0.84 3koyB1 LEU 247 HD23 -0.00 -0.01 -0.02 -0.04 0.89 0.82 3koyB1 ASN 248 H 0.04 0.50 -0.14 -0.55 8.53 8.38 3koyB1 ASN 248 HA 0.09 0.01 0.40 -0.75 4.76 4.50 3koyB1 ASN 248 HB2 0.00 -0.17 0.14 -0.04 2.88 2.81 3koyB1 ASN 248 HB3 0.05 0.09 0.16 -0.04 2.79 3.05 3koyB1 ASN 248 HD21 0.04 0.22 0.03 -0.04 7.03 7.27 3koyB1 ASN 248 HD22 0.05 -0.08 -0.01 -0.04 7.74 7.66 3koyB1 SER 249 H 0.08 0.73 -0.04 -0.55 8.46 8.69 3koyB1 SER 249 HA 0.09 0.03 0.48 -0.75 4.49 4.33 3koyB1 SER 249 HB2 -0.11 0.02 0.15 -0.04 3.95 3.97 3koyB1 SER 249 HB3 -0.48 0.01 0.00 -0.04 3.93 3.43 3koyB1 ILE 250 H 0.05 0.59 0.08 -0.55 8.25 8.43 3koyB1 ILE 250 HA 0.13 0.03 0.35 -0.75 4.18 3.93 3koyB1 ILE 250 HB 0.03 0.02 0.13 -0.04 1.89 2.03 3koyB1 ILE 250 HG12 0.04 -0.02 0.00 -0.04 1.49 1.48 3koyB1 ILE 250 HG13 0.07 -0.03 -0.06 -0.04 1.21 1.15 3koyB1 ILE 250 HG23 0.07 0.08 0.01 -0.04 0.93 1.05 3koyB1 ILE 250 HD13 0.08 -0.00 0.07 -0.04 0.88 0.98 3koyB1 PHE 251 H 0.22 0.41 -0.39 -0.55 8.34 8.03 3koyB1 PHE 251 HA 0.02 -0.01 0.45 -0.75 4.62 4.32 3koyB1 PHE 251 HB2 0.01 0.13 0.16 -0.04 3.15 3.41 3koyB1 PHE 251 HB3 -0.01 0.09 0.18 -0.04 3.06 3.28 3koyB1 PHE 251 HD2 -0.03 0.01 -0.01 -0.04 7.28 7.20 3koyB1 PHE 251 HE2 -0.07 -0.05 -0.06 -0.04 7.38 7.16 3koyB1 PHE 251 HZ -0.04 0.12 0.01 -0.04 7.32 7.37 3koyB1 SER 252 H 0.14 0.63 -0.02 -0.55 8.46 8.67 3koyB1 SER 252 HA -0.17 -0.03 0.39 -0.75 4.49 3.91 3koyB1 SER 252 HB2 0.08 0.12 0.22 -0.04 3.95 4.33 3koyB1 SER 252 HB3 0.02 -0.04 0.01 -0.04 3.93 3.88 3koyB1 LEU 253 H 0.09 0.54 -0.26 -0.55 8.37 8.19 3koyB1 LEU 253 HA 0.04 0.17 0.25 -0.75 4.35 4.06 3koyB1 LEU 253 HB2 0.19 0.01 0.01 -0.04 1.64 1.80 3koyB1 LEU 253 HB3 0.10 0.04 0.14 -0.04 1.64 1.88 3koyB1 LEU 253 HG 0.04 0.02 -0.19 -0.04 1.64 1.45 3koyB1 LEU 253 HD13 -0.01 0.04 -0.03 -0.04 0.93 0.89 3koyB1 LEU 253 HD23 0.08 -0.02 -0.03 -0.04 0.89 0.87 3koyB1 LYS 254 H 0.03 0.46 -0.01 -0.55 8.42 8.34 3koyB1 LYS 254 HA 0.03 0.02 0.37 -0.75 4.32 3.98 3koyB1 LYS 254 HB2 0.01 0.03 0.11 -0.04 1.87 1.98 3koyB1 LYS 254 HB3 0.04 -0.07 0.07 -0.04 1.79 1.79 3koyB1 LYS 254 HG2 0.05 0.00 0.14 -0.04 1.46 1.62 3koyB1 LYS 254 HG3 0.07 -0.02 0.06 -0.04 1.46 1.53 3koyB1 LYS 254 HD2 0.04 0.01 0.03 -0.04 1.69 1.73 3koyB1 LYS 254 HD3 0.04 -0.03 0.02 -0.04 1.68 1.67 3koyB1 LYS 254 HE2 0.05 -0.04 -0.00 -0.04 2.99 2.96 3koyB1 LYS 254 HE3 0.06 0.00 0.01 -0.04 2.99 3.02 3koyB1 VAL 255 H -0.14 0.42 -0.26 -0.55 8.24 7.71 3koyB1 VAL 255 HA 0.07 -0.02 0.51 -0.75 4.13 3.93 3koyB1 VAL 255 HB -0.25 0.11 0.09 -0.04 2.12 2.03 3koyB1 VAL 255 HG13 -0.16 -0.02 -0.14 -0.04 0.97 0.60 3koyB1 VAL 255 HG23 -0.69 -0.01 0.02 -0.04 0.95 0.23 3koyB1 GLY 256 H -0.02 0.39 -0.30 -0.55 8.43 7.96 3koyB1 GLY 256 HA2 0.02 0.02 0.25 -0.51 4.01 3.79 3koyB1 GLY 256 HA3 0.04 0.10 0.87 -0.51 4.01 4.51 3koyB1 MET 257 H -0.01 0.28 0.09 -0.55 8.47 8.28 3koyB1 MET 257 HA 0.01 0.05 0.57 -0.75 4.52 4.40 3koyB1 MET 257 HB2 0.01 -0.03 -0.14 -0.04 2.15 1.95 3koyB1 MET 257 HB3 0.01 0.02 -0.06 -0.04 2.03 1.96 3koyB1 MET 257 HG2 0.00 0.04 0.02 -0.04 2.63 2.65 3koyB1 MET 257 HG3 -0.03 0.01 0.02 -0.04 2.56 2.53 3koyB1 MET 257 HE3 -0.02 0.01 -0.06 -0.04 2.10 2.00 3koyB1 LYS 258 H 0.01 0.14 0.16 -0.55 8.42 8.17 3koyB1 LYS 258 HA -0.01 0.16 0.66 -0.75 4.32 4.37 3koyB1 LYS 258 HB2 0.02 0.06 0.13 -0.04 1.87 2.04 3koyB1 LYS 258 HB3 0.00 -0.14 0.05 -0.04 1.79 1.66 3koyB1 LYS 258 HG2 -0.00 -0.03 0.07 -0.04 1.46 1.46 3koyB1 LYS 258 HG3 0.01 0.12 0.03 -0.04 1.46 1.57 3koyB1 LYS 258 HD2 0.02 -0.04 0.03 -0.04 1.69 1.66 3koyB1 LYS 258 HD3 0.01 -0.00 0.03 -0.04 1.68 1.68 3koyB1 LYS 258 HE2 0.00 0.05 0.05 -0.04 2.99 3.06 3koyB1 LYS 258 HE3 0.01 -0.01 0.05 -0.04 2.99 3.01 3koyB1 LYS 259 H -0.08 0.19 0.16 -0.55 8.42 8.14 3koyB1 LYS 259 HA -0.16 0.05 0.38 -0.75 4.32 3.84 3koyB1 LYS 259 HB2 -0.20 -0.04 0.15 -0.04 1.87 1.74 3koyB1 LYS 259 HB3 -0.40 0.23 -0.09 -0.04 1.79 1.49 3koyB1 LYS 259 HG2 -0.56 -0.03 -0.01 -0.04 1.46 0.82 3koyB1 LYS 259 HG3 -0.23 0.00 0.03 -0.04 1.46 1.23 3koyB1 LYS 259 HD2 -0.36 0.02 -0.03 -0.04 1.69 1.28 3koyB1 LYS 259 HD3 -1.25 -0.00 -0.19 -0.04 1.68 0.20 3koyB1 LYS 259 HE2 -0.23 -0.05 -0.06 -0.04 2.99 2.62 3koyB1 LYS 259 HE3 -0.15 -0.02 -0.02 -0.04 2.99 2.76 3koyB1 SER 260 H -0.04 0.04 -0.17 -0.55 8.46 7.74 3koyB1 SER 260 HA -0.03 0.14 0.36 -0.75 4.49 4.21 3koyB1 SER 260 HB2 0.15 0.07 -0.07 -0.04 3.95 4.06 3koyB1 SER 260 HB3 -0.00 0.04 0.09 -0.04 3.93 4.01 3koyB1 ASN 261 H 0.02 0.42 -0.73 -0.55 8.53 7.70 3koyB1 ASN 261 HA 0.02 0.19 0.86 -0.75 4.76 5.07 3koyB1 ASN 261 HB2 0.01 -0.05 0.09 -0.04 2.88 2.89 3koyB1 ASN 261 HB3 -0.03 0.04 0.14 -0.04 2.79 2.90 3koyB1 ASN 261 HD21 0.03 0.05 -0.11 -0.04 7.03 6.96 3koyB1 ASN 261 HD22 0.01 -0.14 0.01 -0.04 7.74 7.59 3koyB1 ILE 262 H 0.05 0.41 -0.03 -0.55 8.25 8.13 3koyB1 ILE 262 HA 0.03 0.04 0.78 -0.75 4.18 4.27 3koyB1 ILE 262 HB 0.31 0.07 0.21 -0.04 1.89 2.44 3koyB1 ILE 262 HG12 0.09 -0.06 -0.06 -0.04 1.49 1.41 3koyB1 ILE 262 HG13 0.05 0.01 -0.22 -0.04 1.21 1.02 3koyB1 ILE 262 HG23 0.18 -0.04 -0.10 -0.04 0.93 0.93 3koyB1 ILE 262 HD13 0.13 0.00 -0.36 -0.04 0.88 0.61 3koyB1 CYS 263 H -0.03 0.48 0.29 -0.55 8.50 8.69 3koyB1 CYS 263 HA -0.01 0.28 0.94 -0.75 4.58 5.04 3koyB1 CYS 263 HB2 -0.14 0.22 0.23 -0.04 2.97 3.24 3koyB1 CYS 263 HB3 -0.09 -0.11 -0.17 -0.04 2.97 2.57 3koyB1 LEU 264 H -0.10 0.69 0.28 -0.55 8.37 8.70 3koyB1 LEU 264 HA -0.04 -0.08 0.66 -0.75 4.35 4.15 3koyB1 LEU 264 HB2 -0.38 0.05 0.12 -0.04 1.64 1.40 3koyB1 LEU 264 HB3 -0.89 -0.05 -0.11 -0.04 1.64 0.54 3koyB1 LEU 264 HG -0.35 -0.07 -0.05 -0.04 1.64 1.13 3koyB1 LEU 264 HD13 -0.15 0.03 -0.07 -0.04 0.93 0.70 3koyB1 LEU 264 HD23 -1.60 -0.00 -0.10 -0.04 0.89 -0.85 3koyB1 SER 265 H 0.06 -0.03 0.12 -0.55 8.46 8.07 3koyB1 SER 265 HA -0.13 0.37 0.64 -0.75 4.49 4.63 3koyB1 SER 265 HB2 -0.17 0.12 0.09 -0.04 3.95 3.96 3koyB1 SER 265 HB3 -0.11 -0.35 0.04 -0.04 3.93 3.47 3koyB1 THR 266 H -0.04 0.74 0.12 -0.55 8.28 8.55 3koyB1 THR 266 HA 0.17 0.07 0.94 -0.75 4.39 4.81 3koyB1 THR 266 HB -0.15 -0.06 -0.36 -0.04 4.32 3.72 3koyB1 THR 266 HG23 -0.08 0.04 -0.09 -0.04 1.22 1.05 3koyB1 VAL 267 H 0.16 0.10 0.01 -0.55 8.24 7.95 3koyB1 VAL 267 HA 0.09 0.43 0.91 -0.75 4.13 4.81 3koyB1 VAL 267 HB 0.13 -0.11 -0.02 -0.04 2.12 2.08 3koyB1 VAL 267 HG13 0.10 0.01 -0.46 -0.04 0.97 0.57 3koyB1 VAL 267 HG23 0.10 -0.01 -0.35 -0.04 0.95 0.65 3koyB1 PRO 268 HA 0.19 0.06 0.48 -0.51 4.44 4.66 3koyB1 PRO 268 HB2 0.11 -0.00 0.14 -0.04 2.28 2.48 3koyB1 PRO 268 HB3 0.11 -0.01 0.07 -0.04 2.02 2.15 3koyB1 PRO 268 HG2 0.08 0.05 0.16 -0.04 2.03 2.27 3koyB1 PRO 268 HG3 0.08 0.05 0.07 -0.04 2.03 2.19 3koyB1 PRO 268 HD2 0.09 0.14 0.28 -0.04 3.68 4.15 3koyB1 PRO 268 HD3 0.08 0.30 0.28 -0.04 3.65 4.27 3koyB1 PRO 269 HA 0.14 0.06 0.01 -0.51 4.44 4.13 3koyB1 PRO 269 HB2 0.14 -0.06 -0.20 -0.04 2.28 2.12 3koyB1 PRO 269 HB3 0.07 0.04 0.05 -0.04 2.02 2.14 3koyB1 PRO 269 HG2 -0.11 -0.01 0.04 -0.04 2.03 1.91 3koyB1 PRO 269 HG3 -0.01 0.10 0.09 -0.04 2.03 2.17 3koyB1 PRO 269 HD2 0.16 0.04 0.11 -0.04 3.68 3.95 3koyB1 PRO 269 HD3 0.25 0.12 0.28 -0.04 3.65 4.26 3koyB1 THR 270 H 0.15 0.15 -0.30 -0.55 8.28 7.73 3koyB1 THR 270 HA 0.30 0.21 0.93 -0.75 4.39 5.08 3koyB1 THR 270 HB -0.08 0.01 0.03 -0.04 4.32 4.23 3koyB1 THR 270 HG23 0.17 -0.00 -0.21 -0.04 1.22 1.13 3koyB1 ALA 271 H -0.09 0.26 0.19 -0.55 8.40 8.21 3koyB1 ALA 271 HA 0.03 0.12 0.60 -0.75 4.34 4.33 3koyB1 ALA 271 HB3 0.09 0.03 0.02 -0.04 1.41 1.50 3koyB1 PRO 272 HA -0.08 0.10 0.46 -0.51 4.44 4.40 3koyB1 PRO 272 HB2 -0.04 0.04 -0.01 -0.04 2.28 2.23 3koyB1 PRO 272 HB3 -0.04 0.04 0.07 -0.04 2.02 2.04 3koyB1 PRO 272 HG2 -0.02 0.06 0.06 -0.04 2.03 2.09 3koyB1 PRO 272 HG3 -0.02 0.00 0.08 -0.04 2.03 2.05 3koyB1 PRO 272 HD2 -0.01 0.14 0.22 -0.04 3.68 3.99 3koyB1 PRO 272 HD3 0.00 0.12 0.22 -0.04 3.65 3.95 3koyB1 PRO 273 HA -0.07 0.04 0.29 -0.51 4.44 4.19 3koyB1 PRO 273 HB2 -0.09 0.03 -0.01 -0.04 2.28 2.17 3koyB1 PRO 273 HB3 -0.06 0.02 0.11 -0.04 2.02 2.04 3koyB1 PRO 273 HG2 -0.06 0.03 0.08 -0.04 2.03 2.03 3koyB1 PRO 273 HG3 -0.05 0.02 0.07 -0.04 2.03 2.03 3koyB1 PRO 273 HD2 -0.11 0.06 0.09 -0.04 3.68 3.68 3koyB1 PRO 273 HD3 -0.06 0.22 0.65 -0.04 3.65 4.42 3koyB1 ALA 274 H -0.17 0.31 0.17 -0.55 8.40 8.17 3koyB1 ALA 274 HA -0.23 0.12 0.54 -0.75 4.34 4.02 3koyB1 ALA 274 HB3 -0.33 0.04 0.02 -0.04 1.41 1.10 3koyB1 PRO 275 HA -0.07 0.09 0.46 -0.51 4.44 4.41 3koyB1 PRO 275 HB2 -0.05 -0.09 0.18 -0.04 2.28 2.28 3koyB1 PRO 275 HB3 -0.14 0.09 0.14 -0.04 2.02 2.07 3koyB1 PRO 275 HG2 -0.13 -0.01 0.06 -0.04 2.03 1.91 3koyB1 PRO 275 HG3 -0.15 0.08 0.09 -0.04 2.03 2.00 3koyB1 PRO 275 HD2 -0.26 0.07 0.17 -0.04 3.68 3.62 3koyB1 PRO 275 HD3 -0.17 0.19 0.20 -0.04 3.65 3.83 3koyB1 SER 276 H -0.04 0.42 0.16 -0.55 8.46 8.45 3koyB1 SER 276 HA -0.02 0.01 -0.19 -0.75 4.49 3.54 3koyB1 SER 276 HB2 0.03 0.12 -0.38 -0.04 3.95 3.67 3koyB1 SER 276 HB3 -0.03 0.03 -0.34 -0.04 3.93 3.55 3koyB1 MET 277 H 0.03 0.12 -0.07 -0.55 8.47 8.01 3koyB1 MET 277 HA 0.05 0.12 0.44 -0.75 4.52 4.38 3koyB1 MET 277 HB2 0.06 -0.05 0.05 -0.04 2.15 2.17 3koyB1 MET 277 HB3 0.05 0.07 -0.03 -0.04 2.03 2.08 3koyB1 MET 277 HG2 0.03 -0.06 0.03 -0.04 2.63 2.58 3koyB1 MET 277 HG3 0.03 0.06 0.00 -0.04 2.56 2.61 3koyB1 MET 277 HE3 0.03 0.00 -0.09 -0.04 2.10 2.00 3koyB1 TYR 278 H 0.16 0.07 -0.27 -0.55 8.29 7.69 3koyB1 TYR 278 HA 0.01 0.05 0.34 -0.75 4.56 4.20 3koyB1 TYR 278 HB2 -0.02 -0.06 0.06 -0.04 3.06 2.99 3koyB1 TYR 278 HB3 -0.03 0.13 0.04 -0.04 2.98 3.08 3koyB1 TYR 278 HD2 -0.01 0.01 -0.07 -0.04 7.15 7.04 3koyB1 TYR 278 HE2 0.00 -0.00 -0.02 -0.04 6.85 6.79 3koyB1 LEU 279 H 0.10 0.48 -0.14 -0.55 8.37 8.26 3koyB1 LEU 279 HA 0.06 0.05 0.53 -0.75 4.35 4.24 3koyB1 LEU 279 HB2 0.01 0.01 -0.01 -0.04 1.64 1.61 3koyB1 LEU 279 HB3 0.05 -0.03 -0.03 -0.04 1.64 1.59 3koyB1 LEU 279 HG 0.00 0.05 -0.01 -0.04 1.64 1.64 3koyB1 LEU 279 HD13 -0.32 -0.03 -0.15 -0.04 0.93 0.38 3koyB1 LEU 279 HD23 -0.02 0.00 -0.01 -0.04 0.89 0.82 3koyB1 ASP 280 H 0.07 0.53 -0.19 -0.55 8.40 8.26 3koyB1 ASP 280 HA 0.15 0.04 0.35 -0.75 4.63 4.42 3koyB1 ASP 280 HB2 0.08 0.11 0.07 -0.04 2.71 2.93 3koyB1 ASP 280 HB3 0.13 -0.06 0.04 -0.04 2.70 2.78 3koyB1 LEU 281 H 0.04 0.72 0.05 -0.55 8.37 8.63 3koyB1 LEU 281 HA 0.03 0.03 0.31 -0.75 4.35 3.97 3koyB1 LEU 281 HB2 0.02 -0.02 0.10 -0.04 1.64 1.70 3koyB1 LEU 281 HB3 -0.01 0.05 0.06 -0.04 1.64 1.69 3koyB1 LEU 281 HG -0.01 -0.05 -0.21 -0.04 1.64 1.33 3koyB1 LEU 281 HD13 0.01 0.01 -0.00 -0.04 0.93 0.90 3koyB1 LEU 281 HD23 -0.00 -0.01 -0.07 -0.04 0.89 0.77 3koyB1 PRO 282 HA 0.00 0.06 0.64 -0.51 4.44 4.64 3koyB1 PRO 282 HB2 0.05 0.06 0.01 -0.04 2.28 2.36 3koyB1 PRO 282 HB3 0.00 -0.02 0.04 -0.04 2.02 2.01 3koyB1 PRO 282 HG2 -0.11 0.15 0.08 -0.04 2.03 2.11 3koyB1 PRO 282 HG3 -0.12 -0.09 0.06 -0.04 2.03 1.83 3koyB1 PRO 282 HD2 0.00 0.21 -0.42 -0.04 3.68 3.42 3koyB1 PRO 282 HD3 -0.06 0.05 0.04 -0.04 3.65 3.64 3koyB1 TYR 283 H 0.18 0.31 -0.14 -0.55 8.29 8.10 3koyB1 TYR 283 HA 0.06 -0.01 0.42 -0.75 4.56 4.27 3koyB1 TYR 283 HB2 0.07 -0.01 0.11 -0.04 3.06 3.19 3koyB1 TYR 283 HB3 0.06 0.12 0.15 -0.04 2.98 3.27 3koyB1 TYR 283 HD2 0.07 0.02 -0.04 -0.04 7.15 7.16 3koyB1 TYR 283 HE2 0.09 0.02 -0.11 -0.04 6.85 6.81 3koyB1 ALA 284 H 0.04 0.55 -0.17 -0.55 8.40 8.27 3koyB1 ALA 284 HA -0.28 -0.01 0.39 -0.75 4.34 3.69 3koyB1 ALA 284 HB3 -0.03 0.04 0.02 -0.04 1.41 1.41 3koyB1 VAL 285 H -0.03 0.37 -0.30 -0.55 8.24 7.73 3koyB1 VAL 285 HA -0.03 0.09 0.36 -0.75 4.13 3.79 3koyB1 VAL 285 HB -0.01 0.03 0.19 -0.04 2.12 2.29 3koyB1 VAL 285 HG13 -0.01 -0.02 -0.09 -0.04 0.97 0.81 3koyB1 VAL 285 HG23 -0.01 0.12 0.05 -0.04 0.95 1.07 3koyB1 ALA 286 H -0.01 0.48 0.00 -0.55 8.40 8.32 3koyB1 ALA 286 HA 0.02 0.03 0.42 -0.75 4.34 4.06 3koyB1 ALA 286 HB3 0.06 0.01 0.10 -0.04 1.41 1.54 3koyB1 LEU 287 H -0.16 0.52 -0.20 -0.55 8.37 7.99 3koyB1 LEU 287 HA 0.13 -0.02 0.37 -0.75 4.35 4.08 3koyB1 LEU 287 HB2 -0.52 0.13 0.07 -0.04 1.64 1.29 3koyB1 LEU 287 HB3 -0.30 0.11 -0.01 -0.04 1.64 1.40 3koyB1 LEU 287 HG -0.61 0.00 -0.11 -0.04 1.64 0.88 3koyB1 LEU 287 HD13 -0.22 -0.02 -0.08 -0.04 0.93 0.56 3koyB1 LEU 287 HD23 -0.56 -0.01 -0.16 -0.04 0.89 0.12 3koyB1 ARG 288 H -0.08 0.54 -0.15 -0.55 8.46 8.23 3koyB1 ARG 288 HA -0.01 0.02 0.28 -0.75 4.34 3.88 3koyB1 ARG 288 HB2 -0.03 0.14 0.14 -0.04 1.90 2.10 3koyB1 ARG 288 HB3 -0.01 -0.02 -0.06 -0.04 1.80 1.67 3koyB1 ARG 288 HG2 -0.04 -0.02 -0.06 -0.04 1.67 1.52 3koyB1 ARG 288 HG3 -0.04 -0.03 -0.02 -0.04 1.67 1.53 3koyB1 ARG 288 HD2 -0.11 -0.15 -0.02 -0.04 3.22 2.89 3koyB1 ARG 288 HD3 -0.08 0.34 0.08 -0.04 3.22 3.52 3koyB1 GLU 289 H 0.02 0.31 -0.54 -0.55 8.60 7.84 3koyB1 GLU 289 HA 0.02 0.07 0.47 -0.75 4.29 4.10 3koyB1 GLU 289 HB2 0.02 0.07 0.18 -0.04 2.09 2.33 3koyB1 GLU 289 HB3 0.02 -0.07 -0.05 -0.04 1.99 1.84 3koyB1 GLU 289 HG2 0.01 -0.03 -0.00 -0.04 2.34 2.28 3koyB1 GLU 289 HG3 0.00 0.08 -0.03 -0.04 2.34 2.35 3koyB1 MET 290 H 0.09 0.83 0.17 -0.55 8.47 9.02 3koyB1 MET 290 HA -0.03 0.06 0.59 -0.75 4.52 4.38 3koyB1 MET 290 HB2 0.05 -0.04 0.08 -0.04 2.15 2.20 3koyB1 MET 290 HB3 0.17 -0.00 0.04 -0.04 2.03 2.20 3koyB1 MET 290 HG2 -0.02 -0.08 -0.02 -0.04 2.63 2.48 3koyB1 MET 290 HG3 -0.36 0.01 -0.03 -0.04 2.56 2.13 3koyB1 MET 290 HE3 0.01 -0.01 -0.00 -0.04 2.10 2.05 3koyB1 PHE 291 H 0.23 0.44 -0.38 -0.55 8.34 8.08 3koyB1 PHE 291 HA 0.04 0.15 0.76 -0.75 4.62 4.82 3koyB1 PHE 291 HB2 -0.07 0.26 0.01 -0.04 3.15 3.31 3koyB1 PHE 291 HB3 -0.05 -0.11 0.08 -0.04 3.06 2.95 3koyB1 PHE 291 HD2 -0.30 0.05 -0.06 -0.04 7.28 6.93 3koyB1 PHE 291 HE2 -0.08 -0.05 -0.23 -0.04 7.38 6.98 3koyB1 PHE 291 HZ 0.03 0.09 0.02 -0.04 7.32 7.42 3koyB1 GLU 292 H 0.08 0.19 -0.52 -0.55 8.60 7.81 3koyB1 GLU 292 HA 0.07 0.08 0.41 -0.75 4.29 4.09 3koyB1 GLU 292 HB2 0.03 0.12 0.18 -0.04 2.09 2.38 3koyB1 GLU 292 HB3 0.02 -0.06 0.08 -0.04 1.99 1.99 3koyB1 GLU 292 HG2 -0.00 -0.01 -0.07 -0.04 2.34 2.21 3koyB1 GLU 292 HG3 0.01 0.03 0.08 -0.04 2.34 2.41 3koyB1 GLY 293 H 0.03 0.19 0.20 -0.55 8.43 8.31 3koyB1 GLY 293 HA2 -0.07 -0.05 0.33 -0.51 4.01 3.71 3koyB1 GLY 293 HA3 -0.11 0.14 0.83 -0.51 4.01 4.37 3koyB1 TYR 294 H 0.30 0.53 -0.03 -0.55 8.29 8.53 3koyB1 TYR 294 HA 0.00 0.22 0.63 -0.75 4.56 4.66 3koyB1 TYR 294 HB2 0.09 0.04 0.05 -0.04 3.06 3.20 3koyB1 TYR 294 HB3 0.03 0.03 0.15 -0.04 2.98 3.15 3koyB1 TYR 294 HD2 0.07 0.16 -0.07 -0.04 7.15 7.28 3koyB1 TYR 294 HE2 0.02 0.02 -0.10 -0.04 6.85 6.76 3koyB1 ARG 295 H 0.12 0.73 0.35 -0.55 8.46 9.11 3koyB1 ARG 295 HA -0.05 0.12 0.86 -0.75 4.34 4.52 3koyB1 ARG 295 HB2 0.05 0.01 -0.09 -0.04 1.90 1.83 3koyB1 ARG 295 HB3 0.06 -0.09 -0.08 -0.04 1.80 1.64 3koyB1 ARG 295 HG2 0.02 0.04 -0.10 -0.04 1.67 1.59 3koyB1 ARG 295 HG3 0.21 0.18 -0.12 -0.04 1.67 1.90 3koyB1 ARG 295 HD2 -0.41 -0.10 0.02 -0.04 3.22 2.68 3koyB1 ARG 295 HD3 -0.19 0.03 -0.14 -0.04 3.22 2.87 3koyB1 MET 296 H -0.05 0.15 0.16 -0.55 8.47 8.19 3koyB1 MET 296 HA -0.10 0.12 0.91 -0.75 4.52 4.70 3koyB1 MET 296 HB2 -0.05 -0.11 0.07 -0.04 2.15 2.02 3koyB1 MET 296 HB3 -0.07 0.06 0.02 -0.04 2.03 2.00 3koyB1 MET 296 HG2 -0.05 0.05 -0.14 -0.04 2.63 2.45 3koyB1 MET 296 HG3 -0.06 0.05 -0.07 -0.04 2.56 2.43 3koyB1 MET 296 HE3 -0.06 0.01 -0.36 -0.04 2.10 1.64 3koyB1 ARG 297 H -0.08 0.55 0.16 -0.55 8.46 8.54 3koyB1 ARG 297 HA 0.02 0.27 0.95 -0.75 4.34 4.83 3koyB1 ARG 297 HB2 -0.04 -0.00 -0.15 -0.04 1.90 1.66 3koyB1 ARG 297 HB3 -0.08 0.01 -0.13 -0.04 1.80 1.56 3koyB1 ARG 297 HG2 0.01 0.14 -0.24 -0.04 1.67 1.54 3koyB1 ARG 297 HG3 -0.03 -0.00 -0.19 -0.04 1.67 1.41 3koyB1 ARG 297 HD2 -0.17 -0.07 -0.15 -0.04 3.22 2.78 3koyB1 ARG 297 HD3 -0.11 -0.11 -0.16 -0.04 3.22 2.80 3koyB1 ALA 298 H 0.00 0.36 0.07 -0.55 8.40 8.29 3koyB1 ALA 298 HA -0.01 0.20 0.68 -0.75 4.34 4.46 3koyB1 ALA 298 HB3 0.01 0.02 0.14 -0.04 1.41 1.55 3koyB1 GLN 299 H 0.02 0.47 0.13 -0.55 8.47 8.54 3koyB1 GLN 299 HA -0.01 0.15 0.56 -0.75 4.36 4.32 3koyB1 GLN 299 HB2 -0.05 0.04 -0.25 -0.04 2.15 1.86 3koyB1 GLN 299 HB3 -0.02 -0.09 -0.24 -0.04 2.02 1.63 3koyB1 GLN 299 HG2 0.04 -0.06 -0.18 -0.04 2.40 2.15 3koyB1 GLN 299 HG3 0.05 0.18 -0.24 -0.04 2.39 2.34 3koyB1 GLN 299 HE21 -0.01 0.07 -0.22 -0.04 6.97 6.77 3koyB1 GLN 299 HE22 0.04 -0.03 -0.17 -0.04 7.69 7.49 3koyB1 MET 300 H -0.02 0.08 -0.10 -0.55 8.47 7.88 3koyB1 MET 300 HA 0.05 0.19 0.61 -0.75 4.52 4.61 3koyB1 MET 300 HB2 -0.24 -0.10 -0.01 -0.04 2.15 1.76 3koyB1 MET 300 HB3 -0.14 0.01 0.04 -0.04 2.03 1.90 3koyB1 MET 300 HG2 -0.03 0.02 -0.03 -0.04 2.63 2.55 3koyB1 MET 300 HG3 -0.07 0.11 -0.15 -0.04 2.56 2.41 3koyB1 MET 300 HE3 -0.02 0.09 -0.03 -0.04 2.10 2.10 3koyB1 ASN 301 H 0.17 0.13 0.07 -0.55 8.53 8.35 3koyB1 ASN 301 HA 0.10 0.00 0.31 -0.75 4.76 4.42 3koyB1 ASN 301 HB2 0.14 0.18 0.00 -0.04 2.88 3.16 3koyB1 ASN 301 HB3 0.17 -0.00 -0.01 -0.04 2.79 2.91 3koyB1 ASN 301 HD21 0.11 0.01 -0.63 -0.04 7.03 6.48 3koyB1 ASN 301 HD22 0.07 0.02 -0.33 -0.04 7.74 7.46 3koyB1 THR 302 H 0.03 -0.03 0.15 -0.55 8.28 7.88 3koyB1 THR 302 HA 0.05 0.24 0.57 -0.75 4.39 4.49 3koyB1 THR 302 HB -0.00 0.02 0.01 -0.04 4.32 4.30 3koyB1 THR 302 HG23 0.04 0.03 -0.19 -0.04 1.22 1.06 3koyB1 LYS 303 H -0.06 -0.10 0.07 -0.55 8.42 7.78 3koyB1 LYS 303 HA -0.16 0.14 0.27 -0.75 4.32 3.82 3koyB1 LYS 303 HB2 -0.23 -0.04 -0.00 -0.04 1.87 1.55 3koyB1 LYS 303 HB3 -0.53 -0.06 0.05 -0.04 1.79 1.21 3koyB1 LYS 303 HG2 -0.99 -0.03 -0.20 -0.04 1.46 0.20 3koyB1 LYS 303 HG3 -0.31 0.07 0.03 -0.04 1.46 1.21 3koyB1 LYS 303 HD2 -0.23 0.13 -0.21 -0.04 1.69 1.34 3koyB1 LYS 303 HD3 -0.58 -0.12 -0.05 -0.04 1.68 0.90 3koyB1 LYS 303 HE2 -0.07 -0.10 -0.11 -0.04 2.99 2.68 3koyB1 LYS 303 HE3 -0.21 -0.14 0.00 -0.04 2.99 2.60 3koyB1 TYR 304 H -0.02 0.01 -0.20 -0.55 8.29 7.52 3koyB1 TYR 304 HA 0.03 0.22 0.67 -0.75 4.56 4.72 3koyB1 TYR 304 HB2 0.04 -0.05 0.06 -0.04 3.06 3.06 3koyB1 TYR 304 HB3 0.03 0.05 0.07 -0.04 2.98 3.08 3koyB1 TYR 304 HD2 0.07 0.02 -0.06 -0.04 7.15 7.14 3koyB1 TYR 304 HE2 0.16 0.19 0.10 -0.04 6.85 7.25 3koyB1 MET 305 H 0.04 0.52 -0.13 -0.55 8.47 8.36 3koyB1 MET 305 HA 0.01 0.08 0.69 -0.75 4.52 4.55 3koyB1 MET 305 HB2 0.02 -0.08 -0.49 -0.04 2.15 1.55 3koyB1 MET 305 HB3 -0.00 0.25 -0.19 -0.04 2.03 2.05 3koyB1 MET 305 HG2 -0.04 0.04 -0.12 -0.04 2.63 2.47 3koyB1 MET 305 HG3 -0.04 -0.13 0.04 -0.04 2.56 2.38 3koyB1 MET 305 HE3 0.08 -0.03 -0.24 -0.04 2.10 1.86 3koyB1 GLU 306 H -0.04 0.15 0.08 -0.55 8.60 8.24 3koyB1 GLU 306 HA -0.03 0.28 0.69 -0.75 4.29 4.48 3koyB1 GLU 306 HB2 -0.01 -0.00 -0.12 -0.04 2.09 1.91 3koyB1 GLU 306 HB3 -0.03 -0.29 0.18 -0.04 1.99 1.81 3koyB1 GLU 306 HG2 -0.00 0.22 0.13 -0.04 2.34 2.65 3koyB1 GLU 306 HG3 0.00 0.00 -0.04 -0.04 2.34 2.26 3koyB1 ALA 307 H -0.05 0.09 0.13 -0.55 8.40 8.02 3koyB1 ALA 307 HA -0.11 0.19 0.36 -0.75 4.34 4.03 3koyB1 ALA 307 HB3 -0.07 0.05 0.15 -0.04 1.41 1.50 3koyB1 SER 308 H -0.06 0.01 -0.09 -0.55 8.46 7.78 3koyB1 SER 308 HA -0.07 0.11 0.61 -0.75 4.49 4.39 3koyB1 SER 308 HB2 -0.04 0.09 0.08 -0.04 3.95 4.04 3koyB1 SER 308 HB3 -0.04 0.05 0.12 -0.04 3.93 4.01 3koyB1 THR 309 H -0.08 0.15 0.20 -0.55 8.28 8.00 3koyB1 THR 309 HA -0.12 0.39 0.72 -0.75 4.39 4.62 3koyB1 THR 309 HB -0.13 -0.06 0.02 -0.04 4.32 4.10 3koyB1 THR 309 HG23 -0.37 0.12 -0.22 -0.04 1.22 0.71 3koyB1 ARG 310 H -0.04 0.01 0.00 -0.55 8.46 7.88 3koyB1 ARG 310 HA -0.01 0.18 0.62 -0.75 4.34 4.38 3koyB1 ARG 310 HB2 -0.01 0.05 0.08 -0.04 1.90 1.98 3koyB1 ARG 310 HB3 -0.02 -0.06 0.07 -0.04 1.80 1.74 3koyB1 ARG 310 HG2 -0.01 -0.01 -0.11 -0.04 1.67 1.50 3koyB1 ARG 310 HG3 -0.00 0.06 -0.00 -0.04 1.67 1.68 3koyB1 ARG 310 HD2 -0.01 0.05 -0.08 -0.04 3.22 3.13 3koyB1 ARG 310 HD3 -0.01 0.02 -0.05 -0.04 3.22 3.15 3koyB1 GLU 311 H -0.05 0.03 -0.22 -0.55 8.60 7.81 3koyB1 GLU 311 HA -0.04 0.09 0.38 -0.75 4.29 3.96 3koyB1 GLU 311 HB2 -0.04 -0.07 0.06 -0.04 2.09 1.99 3koyB1 GLU 311 HB3 -0.06 0.12 -0.01 -0.04 1.99 2.00 3koyB1 GLU 311 HG2 -0.04 0.02 -0.06 -0.04 2.34 2.21 3koyB1 GLU 311 HG3 -0.03 0.00 -0.00 -0.04 2.34 2.27 3koyB1 ALA 312 H -0.10 0.23 -0.40 -0.55 8.40 7.58 3koyB1 ALA 312 HA -0.25 0.06 0.25 -0.75 4.34 3.65 3koyB1 ALA 312 HB3 -0.17 0.05 0.10 -0.04 1.41 1.35 3koyB1 THR 313 H -0.09 0.38 -0.25 -0.55 8.28 7.76 3koyB1 THR 313 HA 0.02 0.06 0.35 -0.75 4.39 4.06 3koyB1 THR 313 HB -0.01 0.10 0.21 -0.04 4.32 4.58 3koyB1 THR 313 HG23 0.04 -0.00 -0.15 -0.04 1.22 1.07 3koyB1 VAL 314 H -0.05 0.44 -0.23 -0.55 8.24 7.84 3koyB1 VAL 314 HA 0.00 0.04 0.44 -0.75 4.13 3.85 3koyB1 VAL 314 HB -0.04 0.14 0.16 -0.04 2.12 2.35 3koyB1 VAL 314 HG13 -0.01 -0.02 -0.09 -0.04 0.97 0.81 3koyB1 VAL 314 HG23 -0.01 0.03 0.04 -0.04 0.95 0.98 3koyB1 THR 315 H -0.10 0.54 -0.09 -0.55 8.28 8.08 3koyB1 THR 315 HA -0.00 0.00 0.61 -0.75 4.39 4.25 3koyB1 THR 315 HB -0.15 0.14 0.14 -0.04 4.32 4.41 3koyB1 THR 315 HG23 0.05 -0.02 -0.06 -0.04 1.22 1.16 3koyB1 HIS 316 H -0.12 0.51 -0.23 -0.55 8.41 8.03 3koyB1 HIS 316 HA 0.03 -0.03 0.46 -0.75 4.63 4.34 3koyB1 HIS 316 HB2 0.02 0.16 0.14 -0.04 3.26 3.55 3koyB1 HIS 316 HB3 0.03 -0.02 0.04 -0.04 3.20 3.21 3koyB1 HIS 316 HD2 0.03 -0.14 -0.05 -0.04 6.97 6.76 3koyB1 HIS 316 HE1 -0.01 -0.01 -0.35 -0.04 7.75 7.34 3koyB1 VAL 317 H 0.07 0.38 -0.26 -0.55 8.24 7.87 3koyB1 VAL 317 HA 0.07 0.11 0.51 -0.75 4.13 4.07 3koyB1 VAL 317 HB 0.04 0.09 0.15 -0.04 2.12 2.35 3koyB1 VAL 317 HG13 0.03 -0.01 -0.04 -0.04 0.97 0.91 3koyB1 VAL 317 HG23 0.05 0.12 0.03 -0.04 0.95 1.12 3koyB1 LEU 318 H 0.05 0.39 -0.15 -0.55 8.37 8.11 3koyB1 LEU 318 HA 0.04 0.05 0.54 -0.75 4.35 4.22 3koyB1 LEU 318 HB2 0.04 0.15 0.14 -0.04 1.64 1.93 3koyB1 LEU 318 HB3 0.03 -0.10 0.05 -0.04 1.64 1.58 3koyB1 LEU 318 HG 0.02 0.25 0.13 -0.04 1.64 2.00 3koyB1 LEU 318 HD13 0.01 -0.04 0.03 -0.04 0.93 0.89 3koyB1 LEU 318 HD23 0.02 -0.02 -0.00 -0.04 0.89 0.85 3koyB1 ASN 319 H 0.09 0.51 -0.16 -0.55 8.53 8.42 3koyB1 ASN 319 HA 0.07 -0.01 0.47 -0.75 4.76 4.54 3koyB1 ASN 319 HB2 0.13 0.13 0.23 -0.04 2.88 3.33 3koyB1 ASN 319 HB3 0.07 0.03 -0.04 -0.04 2.79 2.81 3koyB1 ASN 319 HD21 0.12 0.05 0.06 -0.04 7.03 7.22 3koyB1 ASN 319 HD22 0.09 -0.06 0.05 -0.04 7.74 7.78 3koyB1 LEU 320 H 0.07 0.40 -0.41 -0.55 8.37 7.88 3koyB1 LEU 320 HA 0.04 0.05 0.41 -0.75 4.35 4.09 3koyB1 LEU 320 HB2 0.05 0.13 0.19 -0.04 1.64 1.97 3koyB1 LEU 320 HB3 0.04 -0.03 -0.03 -0.04 1.64 1.57 3koyB1 LEU 320 HG 0.05 0.01 0.02 -0.04 1.64 1.67 3koyB1 LEU 320 HD13 0.06 -0.04 -0.06 -0.04 0.93 0.84 3koyB1 LEU 320 HD23 0.03 0.00 0.02 -0.04 0.89 0.90 3koyB1 LEU 321 H 0.04 0.35 -0.23 -0.55 8.37 7.98 3koyB1 LEU 321 HA 0.02 0.06 0.43 -0.75 4.35 4.11 3koyB1 LEU 321 HB2 0.03 0.06 0.11 -0.04 1.64 1.79 3koyB1 LEU 321 HB3 0.03 0.06 0.14 -0.04 1.64 1.82 3koyB1 LEU 321 HG 0.02 -0.03 -0.15 -0.04 1.64 1.44 3koyB1 LEU 321 HD13 0.01 0.01 -0.01 -0.04 0.93 0.90 3koyB1 LEU 321 HD23 0.02 -0.02 -0.03 -0.04 0.89 0.81 3koyB1 ILE 322 H 0.04 0.45 -0.23 -0.55 8.25 7.95 3koyB1 ILE 322 HA 0.02 -0.02 0.39 -0.75 4.18 3.82 3koyB1 ILE 322 HB 0.04 0.25 0.13 -0.04 1.89 2.27 3koyB1 ILE 322 HG12 0.05 0.14 0.05 -0.04 1.49 1.69 3koyB1 ILE 322 HG13 0.06 -0.05 -0.01 -0.04 1.21 1.17 3koyB1 ILE 322 HG23 0.03 -0.02 -0.15 -0.04 0.93 0.75 3koyB1 ILE 322 HD13 0.04 -0.03 -0.07 -0.04 0.88 0.78 3koyB1 SER 323 H 0.03 0.36 -0.25 -0.55 8.46 8.05 3koyB1 SER 323 HA 0.00 -0.00 0.31 -0.75 4.49 4.05 3koyB1 SER 323 HB2 0.02 0.12 0.02 -0.04 3.95 4.06 3koyB1 SER 323 HB3 0.01 -0.02 -0.06 -0.04 3.93 3.83 3koyB1 LYS 324 H 0.02 0.47 -0.20 -0.55 8.42 8.15 3koyB1 LYS 324 HA 0.01 0.07 0.48 -0.75 4.32 4.12 3koyB1 LYS 324 HB2 0.02 0.04 0.06 -0.04 1.87 1.94 3koyB1 LYS 324 HB3 0.01 0.02 0.05 -0.04 1.79 1.83 3koyB1 LYS 324 HG2 0.01 -0.03 -0.00 -0.04 1.46 1.39 3koyB1 LYS 324 HG3 0.01 -0.05 -0.09 -0.04 1.46 1.28 3koyB1 LYS 324 HD2 0.01 0.03 0.05 -0.04 1.69 1.74 3koyB1 LYS 324 HD3 0.01 0.03 -0.01 -0.04 1.68 1.67 3koyB1 LYS 324 HE2 0.01 0.43 0.09 -0.04 2.99 3.48 3koyB1 LYS 324 HE3 0.01 -0.13 0.05 -0.04 2.99 2.88 3koyB1 LEU 325 H 0.01 0.51 -0.25 -0.55 8.37 8.09 3koyB1 LEU 325 HA 0.00 0.04 0.35 -0.75 4.35 3.98 3koyB1 LEU 325 HB2 0.01 0.08 0.07 -0.04 1.64 1.75 3koyB1 LEU 325 HB3 0.00 -0.13 0.04 -0.04 1.64 1.52 3koyB1 LEU 325 HG 0.01 0.12 -0.02 -0.04 1.64 1.71 3koyB1 LEU 325 HD13 0.01 -0.05 -0.11 -0.04 0.93 0.74 3koyB1 LEU 325 HD23 0.01 -0.02 -0.11 -0.04 0.89 0.72 3koyB1 THR 326 H -0.00 0.20 -0.68 -0.55 8.28 7.25 3koyB1 THR 326 HA -0.01 0.12 0.79 -0.75 4.39 4.54 3koyB1 THR 326 HB -0.03 -0.03 0.04 -0.04 4.32 4.25 3koyB1 THR 326 HG23 -0.02 -0.03 -0.25 -0.04 1.22 0.88 3koyB1 ARG 327 H -0.02 0.16 0.16 -0.55 8.46 8.21 3koyB1 ARG 327 HA -0.02 0.18 0.66 -0.75 4.34 4.40 3koyB1 ARG 327 HB2 -0.03 0.16 -0.18 -0.04 1.90 1.81 3koyB1 ARG 327 HB3 -0.04 -0.10 -0.08 -0.04 1.80 1.54 3koyB1 ARG 327 HG2 -0.05 -0.15 -0.21 -0.04 1.67 1.21 3koyB1 ARG 327 HG3 -0.05 0.02 -0.02 -0.04 1.67 1.59 3koyB1 ARG 327 HD2 -0.07 0.03 -0.02 -0.04 3.22 3.12 3koyB1 ARG 327 HD3 -0.04 0.02 -0.04 -0.04 3.22 3.12 3koyB1 ALA 328 H -0.02 0.28 0.04 -0.55 8.40 8.15 3koyB1 ALA 328 HA -0.01 0.05 0.59 -0.75 4.34 4.22 3koyB1 ALA 328 HB3 0.02 0.03 -0.09 -0.04 1.41 1.34 3koyB1 ASP 329 H -0.02 0.19 0.24 -0.55 8.40 8.25 3koyB1 ASP 329 HA -0.07 0.12 0.71 -0.75 4.63 4.63 3koyB1 ASP 329 HB2 -0.00 -0.03 0.13 -0.04 2.71 2.77 3koyB1 ASP 329 HB3 -0.43 0.06 0.08 -0.04 2.70 2.38 3koyB1 ILE 330 H 0.13 0.36 0.21 -0.55 8.25 8.40 3koyB1 ILE 330 HA 0.28 0.24 0.97 -0.75 4.18 4.92 3koyB1 ILE 330 HB 0.13 -0.14 0.05 -0.04 1.89 1.89 3koyB1 ILE 330 HG12 0.55 0.09 -0.10 -0.04 1.49 1.98 3koyB1 ILE 330 HG13 0.49 -0.06 -0.25 -0.04 1.21 1.35 3koyB1 ILE 330 HG23 0.25 -0.01 -0.36 -0.04 0.93 0.78 3koyB1 ILE 330 HD13 -0.25 -0.02 -0.18 -0.04 0.88 0.39 3koyB1 GLN 331 H 0.14 0.85 0.09 -0.55 8.47 9.00 3koyB1 GLN 331 HA 0.06 0.14 0.83 -0.75 4.36 4.63 3koyB1 GLN 331 HB2 0.05 -0.03 -0.04 -0.04 2.15 2.09 3koyB1 GLN 331 HB3 0.07 0.09 0.04 -0.04 2.02 2.18 3koyB1 GLN 331 HG2 0.04 -0.02 -0.07 -0.04 2.40 2.30 3koyB1 GLN 331 HG3 0.03 0.08 -0.31 -0.04 2.39 2.15 3koyB1 GLN 331 HE21 0.02 -0.12 -0.29 -0.04 6.97 6.54 3koyB1 GLN 331 HE22 0.01 0.38 -0.14 -0.04 7.69 7.89 3koyB1 SER 332 H 0.04 0.65 0.08 -0.55 8.46 8.68 3koyB1 SER 332 HA 0.05 -0.04 0.70 -0.75 4.49 4.44 3koyB1 SER 332 HB2 -0.01 0.04 0.04 -0.04 3.95 3.99 3koyB1 SER 332 HB3 -0.02 -0.08 -0.03 -0.04 3.93 3.76 3koyB1 THR 333 H -0.01 0.15 0.02 -0.55 8.28 7.88 3koyB1 THR 333 HA -0.09 0.17 0.99 -0.75 4.39 4.71 3koyB1 THR 333 HB -0.04 -0.01 -0.06 -0.04 4.32 4.16 3koyB1 THR 333 HG23 0.01 0.03 -0.30 -0.04 1.22 0.92 3koyB1 ILE 334 H -0.30 0.21 0.12 -0.55 8.25 7.74 3koyB1 ILE 334 HA -0.04 0.14 0.90 -0.75 4.18 4.42 3koyB1 ILE 334 HB -0.30 0.00 -0.04 -0.04 1.89 1.51 3koyB1 ILE 334 HG12 -0.11 -0.18 -0.20 -0.04 1.49 0.96 3koyB1 ILE 334 HG13 0.01 0.20 -0.30 -0.04 1.21 1.08 3koyB1 ILE 334 HG23 0.06 0.07 -0.07 -0.04 0.93 0.95 3koyB1 ILE 334 HD13 -0.00 0.04 -0.23 -0.04 0.88 0.65 3koyB1 THR 335 H 0.01 0.12 0.12 -0.55 8.28 7.97 3koyB1 THR 335 HA 0.06 0.26 0.62 -0.75 4.39 4.58 3koyB1 THR 335 HB 0.06 -0.09 -0.04 -0.04 4.32 4.20 3koyB1 THR 335 HG23 0.06 0.05 -0.10 -0.04 1.22 1.19 3koyB1 PRO 336 HA 0.01 0.11 0.36 -0.51 4.44 4.41 3koyB1 PRO 336 HB2 -0.14 -0.03 0.01 -0.04 2.28 2.08 3koyB1 PRO 336 HB3 -0.02 0.13 0.18 -0.04 2.02 2.27 3koyB1 PRO 336 HG2 0.17 0.02 0.09 -0.04 2.03 2.27 3koyB1 PRO 336 HG3 0.12 0.12 0.05 -0.04 2.03 2.28 3koyB1 PRO 336 HD2 0.15 0.02 0.25 -0.04 3.68 4.05 3koyB1 PRO 336 HD3 0.11 0.25 0.28 -0.04 3.65 4.25 3koyB1 ASP 337 H -0.25 0.00 -0.61 -0.55 8.40 6.99 3koyB1 ASP 337 HA -0.44 0.21 0.44 -0.75 4.63 4.09 3koyB1 ASP 337 HB2 -0.83 0.06 -0.01 -0.04 2.71 1.88 3koyB1 ASP 337 HB3 -1.52 -0.02 -0.06 -0.04 2.70 1.06 3koyB1 GLU 338 H -0.12 0.33 -0.29 -0.55 8.60 7.97 3koyB1 GLU 338 HA -0.10 0.08 0.32 -0.75 4.29 3.84 3koyB1 GLU 338 HB2 -0.02 0.25 0.11 -0.04 2.09 2.39 3koyB1 GLU 338 HB3 -0.03 0.07 -0.10 -0.04 1.99 1.90 3koyB1 GLU 338 HG2 -0.03 -0.03 0.10 -0.04 2.34 2.34 3koyB1 GLU 338 HG3 -0.00 -0.10 0.09 -0.04 2.34 2.28 3koyB1 GLY 339 H -0.11 0.14 -0.39 -0.55 8.43 7.53 3koyB1 GLY 339 HA2 -0.06 0.10 0.33 -0.51 4.01 3.87 3koyB1 GLY 339 HA3 -0.07 0.07 0.12 -0.51 4.01 3.63 3koyB1 ARG 340 H -0.17 0.49 -0.29 -0.55 8.46 7.93 3koyB1 ARG 340 HA -0.12 0.08 0.55 -0.75 4.34 4.10 3koyB1 ARG 340 HB2 -0.23 -0.06 0.09 -0.04 1.90 1.66 3koyB1 ARG 340 HB3 -0.33 -0.02 0.06 -0.04 1.80 1.47 3koyB1 ARG 340 HG2 -0.18 -0.06 0.06 -0.04 1.67 1.45 3koyB1 ARG 340 HG3 -0.14 0.05 0.22 -0.04 1.67 1.76 3koyB1 ARG 340 HD2 -0.16 -0.11 -0.03 -0.04 3.22 2.88 3koyB1 ARG 340 HD3 -0.22 0.23 0.11 -0.04 3.22 3.30 3koyB1 ASN 341 H -0.20 0.46 0.08 -0.55 8.53 8.33 3koyB1 ASN 341 HA -0.08 0.09 0.53 -0.75 4.76 4.54 3koyB1 ASN 341 HB2 -0.00 -0.10 0.09 -0.04 2.88 2.83 3koyB1 ASN 341 HB3 -0.12 0.13 -0.18 -0.04 2.79 2.58 3koyB1 ASN 341 HD21 -1.01 -0.27 -0.24 -0.04 7.03 5.47 3koyB1 ASN 341 HD22 -0.32 0.37 -0.74 -0.04 7.74 7.00 3koyB1 VAL 342 H -0.00 0.09 0.08 -0.55 8.24 7.85 3koyB1 VAL 342 HA -0.03 0.17 0.60 -0.75 4.13 4.12 3koyB1 VAL 342 HB 0.01 -0.05 -0.02 -0.04 2.12 2.01 3koyB1 VAL 342 HG13 -0.02 0.02 -0.00 -0.04 0.97 0.93 3koyB1 VAL 342 HG23 -0.03 0.00 0.04 -0.04 0.95 0.92 3koyB1 PRO 343 HA -0.03 -0.08 0.16 -0.51 4.44 3.98 3koyB1 PRO 343 HB2 0.06 0.02 0.10 -0.04 2.28 2.41 3koyB1 PRO 343 HB3 0.04 -0.04 0.06 -0.04 2.02 2.05 3koyB1 PRO 343 HG2 0.02 0.08 0.10 -0.04 2.03 2.19 3koyB1 PRO 343 HG3 -0.01 0.01 0.10 -0.04 2.03 2.08 3koyB1 PRO 343 HD2 0.01 0.09 0.15 -0.04 3.68 3.89 3koyB1 PRO 343 HD3 -0.02 0.20 0.26 -0.04 3.65 4.05 3koyB1 TRP 344 H 0.18 0.02 0.14 -0.55 7.97 7.77 3koyB1 TRP 344 HA -0.18 0.37 0.80 -0.75 4.62 4.85 3koyB1 TRP 344 HB2 0.24 -0.15 0.08 -0.04 3.23 3.35 3koyB1 TRP 344 HB3 -0.05 -0.02 0.19 -0.04 3.23 3.31 3koyB1 TRP 344 HD1 -0.10 0.14 -0.29 -0.04 7.22 6.92 3koyB1 TRP 344 HE1 -0.09 -0.00 -0.06 -0.04 10.20 10.00 3koyB1 TRP 344 HE3 0.09 -0.06 -0.01 -0.04 7.59 7.56 3koyB1 TRP 344 HZ2 -0.03 0.03 -0.08 -0.04 7.44 7.32 3koyB1 TRP 344 HZ3 0.08 -0.01 -0.08 -0.04 7.13 7.08 3koyB1 TRP 344 HH2 0.01 0.05 -0.18 -0.04 7.19 7.03 3koyB1 HIS 345 H -0.30 0.53 0.25 -0.55 8.41 8.34 3koyB1 HIS 345 HA 0.07 0.07 0.37 -0.75 4.63 4.39 3koyB1 HIS 345 HB2 -0.01 -0.02 0.09 -0.04 3.26 3.28 3koyB1 HIS 345 HB3 -0.00 0.05 -0.01 -0.04 3.20 3.20 3koyB1 HIS 345 HD2 -0.07 0.05 -0.24 -0.04 6.97 6.67 3koyB1 HIS 345 HE1 0.05 0.08 -0.03 -0.04 7.75 7.81 3koyB1 ILE 346 H 0.10 0.15 -0.10 -0.55 8.25 7.85 3koyB1 ILE 346 HA -0.07 0.14 0.19 -0.75 4.18 3.68 3koyB1 ILE 346 HB -0.24 0.05 0.07 -0.04 1.89 1.72 3koyB1 ILE 346 HG12 -0.05 -0.06 0.02 -0.04 1.49 1.35 3koyB1 ILE 346 HG13 -1.27 -0.01 -0.20 -0.04 1.21 -0.32 3koyB1 ILE 346 HG23 -0.03 0.03 0.06 -0.04 0.93 0.94 3koyB1 ILE 346 HD13 -0.19 0.02 -0.02 -0.04 0.88 0.65 3koyB1 TYR 347 H 0.07 0.23 -0.58 -0.55 8.29 7.46 3koyB1 TYR 347 HA 0.02 0.09 0.72 -0.75 4.56 4.64 3koyB1 TYR 347 HB2 -0.01 0.10 0.09 -0.04 3.06 3.20 3koyB1 TYR 347 HB3 -0.04 -0.13 0.07 -0.04 2.98 2.84 3koyB1 TYR 347 HD2 -0.07 -0.03 0.01 -0.04 7.15 7.02 3koyB1 TYR 347 HE2 -0.27 0.04 -0.06 -0.04 6.85 6.53 3koyB1 ASN 348 H 0.14 0.44 0.04 -0.55 8.53 8.60 3koyB1 ASN 348 HA 0.08 0.00 0.53 -0.75 4.76 4.62 3koyB1 ASN 348 HB2 0.10 0.13 0.09 -0.04 2.88 3.15 3koyB1 ASN 348 HB3 0.08 0.03 -0.06 -0.04 2.79 2.79 3koyB1 ASN 348 HD21 0.07 0.50 -0.06 -0.04 7.03 7.49 3koyB1 ASN 348 HD22 0.07 -0.06 -0.22 -0.04 7.74 7.49 3koyB1 ILE 349 H 0.01 0.29 -0.46 -0.55 8.25 7.54 3koyB1 ILE 349 HA -0.07 0.15 0.51 -0.75 4.18 4.02 3koyB1 ILE 349 HB -0.15 -0.01 0.05 -0.04 1.89 1.74 3koyB1 ILE 349 HG12 -0.28 -0.03 -0.13 -0.04 1.49 1.01 3koyB1 ILE 349 HG13 -0.59 0.12 -0.09 -0.04 1.21 0.61 3koyB1 ILE 349 HG23 -0.48 0.01 -0.14 -0.04 0.93 0.28 3koyB1 ILE 349 HD13 -0.00 0.02 -0.37 -0.04 0.88 0.49 3koyB1 GLU 350 H 0.01 0.39 0.09 -0.55 8.60 8.54 3koyB1 GLU 350 HA 0.05 0.03 0.48 -0.75 4.29 4.11 3koyB1 GLU 350 HB2 0.19 0.02 0.28 -0.04 2.09 2.55 3koyB1 GLU 350 HB3 0.13 -0.04 0.05 -0.04 1.99 2.10 3koyB1 GLU 350 HG2 0.02 0.04 0.10 -0.04 2.34 2.46 3koyB1 GLU 350 HG3 0.03 0.01 0.06 -0.04 2.34 2.39 3koyB1 ALA 351 H 0.09 0.59 -0.07 -0.55 8.40 8.47 3koyB1 ALA 351 HA 0.07 -0.02 0.43 -0.75 4.34 4.07 3koyB1 ALA 351 HB3 0.04 0.01 -0.03 -0.04 1.41 1.39 3koyB1 CYS 352 H 0.06 0.43 -0.27 -0.55 8.50 8.17 3koyB1 CYS 352 HA 0.07 0.03 0.28 -0.75 4.58 4.20 3koyB1 CYS 352 HB2 0.10 0.05 0.10 -0.04 2.97 3.19 3koyB1 CYS 352 HB3 0.13 0.18 -0.17 -0.04 2.97 3.06 3koyB1 ASP 353 H 0.09 0.51 -0.12 -0.55 8.40 8.33 3koyB1 ASP 353 HA 0.13 0.15 0.53 -0.75 4.63 4.68 3koyB1 ASP 353 HB2 0.09 0.01 0.23 -0.04 2.71 2.99 3koyB1 ASP 353 HB3 0.11 -0.12 0.04 -0.04 2.70 2.68 3koyB1 THR 354 H 0.08 0.80 0.02 -0.55 8.28 8.63 3koyB1 THR 354 HA 0.07 -0.07 0.37 -0.75 4.39 4.01 3koyB1 THR 354 HB 0.08 0.18 0.20 -0.04 4.32 4.74 3koyB1 THR 354 HG23 0.10 -0.02 -0.14 -0.04 1.22 1.11 3koyB1 ALA 355 H 0.06 0.64 -0.13 -0.55 8.40 8.42 3koyB1 ALA 355 HA 0.05 -0.06 0.37 -0.75 4.34 3.94 3koyB1 ALA 355 HB3 0.04 0.03 0.02 -0.04 1.41 1.46 3koyB1 LYS 356 H 0.06 0.47 -0.19 -0.55 8.42 8.20 3koyB1 LYS 356 HA 0.03 0.09 0.69 -0.75 4.32 4.37 3koyB1 LYS 356 HB2 0.01 0.03 0.15 -0.04 1.87 2.02 3koyB1 LYS 356 HB3 0.04 0.09 0.13 -0.04 1.79 2.00 3koyB1 LYS 356 HG2 0.06 0.14 0.21 -0.04 1.46 1.84 3koyB1 LYS 356 HG3 0.04 -0.12 -0.17 -0.04 1.46 1.17 3koyB1 LYS 356 HD2 0.01 0.00 -0.03 -0.04 1.69 1.64 3koyB1 LYS 356 HD3 0.03 0.11 0.03 -0.04 1.68 1.81 3koyB1 LYS 356 HE2 0.09 0.09 0.04 -0.04 2.99 3.17 3koyB1 LYS 356 HE3 0.06 -0.21 0.03 -0.04 2.99 2.83 3koyB1 GLN 357 H 0.05 0.44 -0.22 -0.55 8.47 8.20 3koyB1 GLN 357 HA 0.04 0.05 0.43 -0.75 4.36 4.13 3koyB1 GLN 357 HB2 0.06 0.20 0.12 -0.04 2.15 2.49 3koyB1 GLN 357 HB3 0.05 -0.01 0.17 -0.04 2.02 2.19 3koyB1 GLN 357 HG2 0.05 -0.03 -0.11 -0.04 2.40 2.27 3koyB1 GLN 357 HG3 0.06 -0.02 0.02 -0.04 2.39 2.41 3koyB1 GLN 357 HE21 0.06 -0.06 -0.03 -0.04 6.97 6.90 3koyB1 GLN 357 HE22 0.05 0.01 -0.05 -0.04 7.69 7.66 3koyB1 ALA 358 H 0.04 0.63 0.04 -0.55 8.40 8.56 3koyB1 ALA 358 HA 0.03 -0.01 0.42 -0.75 4.34 4.02 3koyB1 ALA 358 HB3 0.04 -0.00 0.09 -0.04 1.41 1.50 3koyB1 LEU 359 H 0.03 0.46 -0.09 -0.55 8.37 8.23 3koyB1 LEU 359 HA 0.02 -0.04 0.30 -0.75 4.35 3.88 3koyB1 LEU 359 HB2 0.03 0.26 0.22 -0.04 1.64 2.10 3koyB1 LEU 359 HB3 0.02 -0.04 -0.02 -0.04 1.64 1.56 3koyB1 LEU 359 HG 0.03 -0.02 0.09 -0.04 1.64 1.70 3koyB1 LEU 359 HD13 0.03 -0.00 -0.04 -0.04 0.93 0.88 3koyB1 LEU 359 HD23 0.02 -0.03 -0.02 -0.04 0.89 0.82 3koyB1 ILE 360 H 0.02 0.48 -0.54 -0.55 8.25 7.67 3koyB1 ILE 360 HA 0.02 -0.02 0.26 -0.75 4.18 3.69 3koyB1 ILE 360 HB 0.01 0.13 0.16 -0.04 1.89 2.15 3koyB1 ILE 360 HG12 -0.01 0.05 0.08 -0.04 1.49 1.57 3koyB1 ILE 360 HG13 -0.04 0.09 -0.01 -0.04 1.21 1.20 3koyB1 ILE 360 HG23 0.03 -0.04 -0.14 -0.04 0.93 0.72 3koyB1 ILE 360 HD13 -0.11 -0.06 -0.29 -0.04 0.88 0.38 3koyB1 GLY 361 H 0.01 0.52 -0.08 -0.55 8.43 8.34 3koyB1 GLY 361 HA2 -0.03 0.00 0.48 -0.51 4.01 3.96 3koyB1 GLY 361 HA3 -0.01 -0.03 0.35 -0.51 4.01 3.81 3koyB1 MET 362 H 0.01 0.56 -0.27 -0.55 8.47 8.23 3koyB1 MET 362 HA -0.00 0.05 0.60 -0.75 4.52 4.42 3koyB1 MET 362 HB2 0.02 0.16 0.04 -0.04 2.15 2.32 3koyB1 MET 362 HB3 0.01 -0.14 0.13 -0.04 2.03 1.99 3koyB1 MET 362 HG2 0.01 -0.06 -0.06 -0.04 2.63 2.47 3koyB1 MET 362 HG3 0.01 0.14 -0.07 -0.04 2.56 2.61 3koyB1 MET 362 HE3 0.03 -0.02 -0.25 -0.04 2.10 1.82 3koyB1 ASP 363 H 0.03 0.46 -0.63 -0.55 8.40 7.72 3koyB1 ASP 363 HA 0.04 -0.02 0.47 -0.75 4.63 4.36 3koyB1 ASP 363 HB2 0.13 0.18 0.17 -0.04 2.71 3.15 3koyB1 ASP 363 HB3 0.08 0.08 0.15 -0.04 2.70 2.97 3koyB1 GLY 364 H 0.02 0.14 0.23 -0.55 8.43 8.27 3koyB1 GLY 364 HA2 0.01 -0.02 0.36 -0.51 4.01 3.85 3koyB1 GLY 364 HA3 -0.01 0.16 0.49 -0.51 4.01 4.14 3koyB1 LEU 365 H 0.00 0.63 -0.24 -0.55 8.37 8.21 3koyB1 LEU 365 HA -0.01 0.03 0.09 -0.75 4.35 3.71 3koyB1 LEU 365 HB2 0.00 0.16 0.10 -0.04 1.64 1.85 3koyB1 LEU 365 HB3 0.00 0.02 0.10 -0.04 1.64 1.72 3koyB1 LEU 365 HG 0.00 -0.04 -0.17 -0.04 1.64 1.39 3koyB1 LEU 365 HD13 -0.00 -0.01 -0.01 -0.04 0.93 0.86 3koyB1 LEU 365 HD23 0.01 -0.00 -0.05 -0.04 0.89 0.80 3koyB1 MET 366 H 0.00 0.12 -0.22 -0.55 8.47 7.82 3koyB1 MET 366 HA -0.00 0.22 0.55 -0.75 4.52 4.53 3koyB1 MET 366 HB2 -0.00 -0.03 0.07 -0.04 2.15 2.15 3koyB1 MET 366 HB3 -0.00 0.01 0.23 -0.04 2.03 2.22 3koyB1 MET 366 HG2 0.00 -0.01 0.03 -0.04 2.63 2.61 3koyB1 MET 366 HG3 -0.00 0.10 0.06 -0.04 2.56 2.67 3koyB1 MET 366 HE3 -0.00 0.01 -0.01 -0.04 2.10 2.06 3koyB1 ASP 367 H -0.00 0.70 -0.27 -0.55 8.40 8.28 3koyB1 ASP 367 HA -0.00 0.11 0.81 -0.75 4.63 4.80 3koyB1 ASP 367 HB2 -0.01 0.12 0.10 -0.04 2.71 2.89 3koyB1 ASP 367 HB3 -0.01 -0.06 0.11 -0.04 2.70 2.70 3koyB1 MET 368 H -0.00 0.45 -0.02 -0.55 8.47 8.34 3koyB1 MET 368 HA -0.00 0.14 0.82 -0.75 4.52 4.72 3koyB1 MET 368 HB2 -0.01 0.13 0.07 -0.04 2.15 2.29 3koyB1 MET 368 HB3 -0.01 -0.08 0.10 -0.04 2.03 2.00 3koyB1 MET 368 HG2 -0.01 0.00 -0.11 -0.04 2.63 2.47 3koyB1 MET 368 HG3 -0.01 -0.03 -0.23 -0.04 2.56 2.25 3koyB1 MET 368 HE3 -0.02 -0.01 -0.03 -0.04 2.10 2.00 3koyB1 VAL 369 H -0.00 0.20 0.10 -0.55 8.24 7.99 3koyB1 VAL 369 HA 0.00 0.09 0.85 -0.75 4.13 4.32 3koyB1 VAL 369 HB 0.00 0.05 -0.04 -0.04 2.12 2.09 3koyB1 VAL 369 HG13 0.00 -0.03 -0.18 -0.04 0.97 0.73 3koyB1 VAL 369 HG23 0.00 -0.02 -0.18 -0.04 0.95 0.71 3koyB1 GLN 370 H 0.00 0.15 0.13 -0.55 8.47 8.21 3koyB1 GLN 370 HA -0.00 0.27 0.89 -0.75 4.36 4.77 3koyB1 GLN 370 HB2 -0.00 -0.02 0.12 -0.04 2.15 2.20 3koyB1 GLN 370 HB3 -0.00 0.11 -0.11 -0.04 2.02 1.97 3koyB1 GLN 370 HG2 0.00 -0.03 -0.05 -0.04 2.40 2.28 3koyB1 GLN 370 HG3 0.00 -0.04 -0.28 -0.04 2.39 2.03 3koyB1 GLN 370 HE21 0.00 -0.02 -0.04 -0.04 6.97 6.87 3koyB1 GLN 370 HE22 0.00 -0.04 -0.07 -0.04 7.69 7.54 3koyB1 LEU 371 H -0.00 0.19 0.16 -0.55 8.37 8.17 3koyB1 LEU 371 HA 0.00 0.12 0.73 -0.75 4.35 4.45 3koyB1 LEU 371 HB2 -0.00 -0.02 0.11 -0.04 1.64 1.68 3koyB1 LEU 371 HB3 -0.01 -0.06 -0.05 -0.04 1.64 1.48 3koyB1 LEU 371 HG -0.00 0.07 0.04 -0.04 1.64 1.71 3koyB1 LEU 371 HD13 -0.01 0.03 0.02 -0.04 0.93 0.94 3koyB1 LEU 371 HD23 -0.00 0.02 -0.05 -0.04 0.89 0.81 3koyB1 LYS 372 H 0.00 0.19 0.07 -0.55 8.42 8.13 3koyB1 LYS 372 HA 0.00 0.16 0.68 -0.75 4.32 4.41 3koyB1 LYS 372 HB2 0.01 0.01 0.18 -0.04 1.87 2.02 3koyB1 LYS 372 HB3 0.01 -0.11 0.14 -0.04 1.79 1.79 3koyB1 LYS 372 HG2 0.01 0.03 0.02 -0.04 1.46 1.47 3koyB1 LYS 372 HG3 0.01 0.09 -0.00 -0.04 1.46 1.51 3koyB1 LYS 372 HD2 0.02 -0.01 0.04 -0.04 1.69 1.69 3koyB1 LYS 372 HD3 0.02 -0.06 0.02 -0.04 1.68 1.62 3koyB1 LYS 372 HE2 0.01 0.02 -0.00 -0.04 2.99 2.98 3koyB1 LYS 372 HE3 0.01 0.05 0.00 -0.04 2.99 3.02 3koyB1 ARG 373 H -0.00 0.48 -0.17 -0.55 8.46 8.22 3koyB1 ARG 373 HA -0.00 0.01 0.11 -0.75 4.34 3.71 3koyB1 ARG 373 HB2 -0.00 0.06 -0.00 -0.04 1.90 1.91 3koyB1 ARG 373 HB3 0.00 0.04 0.06 -0.04 1.80 1.86 3koyB1 ARG 373 HG2 0.00 0.08 -0.03 -0.04 1.67 1.68 3koyB1 ARG 373 HG3 0.00 -0.02 -0.17 -0.04 1.67 1.45 3koyB1 ARG 373 HD2 -0.00 -0.12 0.03 -0.04 3.22 3.09 3koyB1 ARG 373 HD3 -0.00 0.04 -0.04 -0.04 3.22 3.18 3koyB1 GLU 374 H 0.00 0.13 -0.16 -0.55 8.60 8.02 3koyB1 GLU 374 HA 0.00 0.17 0.65 -0.75 4.29 4.36 3koyB1 GLY 375 H 0.00 0.26 -0.31 -0.55 8.43 7.84 3koyB1 GLY 375 HA2 0.01 0.21 0.68 -0.51 4.01 4.40 3koyB1 GLY 375 HA3 0.01 0.04 0.21 -0.51 4.01 3.76 3koyB1 VAL 376 H 0.01 0.22 0.15 -0.55 8.24 8.07 3koyB1 VAL 376 HA 0.01 0.11 0.51 -0.75 4.13 4.01 3koyB1 VAL 376 HB 0.04 0.05 0.14 -0.04 2.12 2.31 3koyB1 VAL 376 HG13 0.01 0.01 0.08 -0.04 0.97 1.04 3koyB1 VAL 376 HG23 -0.00 0.02 -0.08 -0.04 0.95 0.84 3koyB1 LEU 377 H -0.04 0.16 -0.08 -0.55 8.37 7.86 3koyB1 LEU 377 HA -0.09 0.08 0.42 -0.75 4.35 4.01 3koyB1 LEU 377 HB2 -0.07 0.01 0.05 -0.04 1.64 1.59 3koyB1 LEU 377 HB3 -0.03 0.14 0.02 -0.04 1.64 1.73 3koyB1 LEU 377 HG -0.02 0.03 -0.40 -0.04 1.64 1.21 3koyB1 LEU 377 HD13 -0.04 0.01 -0.05 -0.04 0.93 0.81 3koyB1 LEU 377 HD23 -0.02 0.01 -0.18 -0.04 0.89 0.66 3koyB1 GLY 378 H -0.01 0.04 -0.32 -0.55 8.43 7.60 3koyB1 GLY 378 HA2 0.01 0.03 0.51 -0.51 4.01 4.05 3koyB1 GLY 378 HA3 0.00 0.21 0.42 -0.51 4.01 4.13 3koyB1 ASP 379 H 0.00 0.34 -0.19 -0.55 8.40 8.00 3koyB1 ASP 379 HA 0.02 0.04 0.40 -0.75 4.63 4.33 3koyB1 ASP 379 HB2 0.01 0.09 0.26 -0.04 2.71 3.04 3koyB1 ASP 379 HB3 0.03 -0.04 0.02 -0.04 2.70 2.67 3koyB1 THR 380 H 0.01 0.56 -0.08 -0.55 8.28 8.21 3koyB1 THR 380 HA 0.06 0.02 0.51 -0.75 4.39 4.23 3koyB1 THR 380 HB -0.01 0.10 0.14 -0.04 4.32 4.51 3koyB1 THR 380 HG23 0.07 -0.00 -0.03 -0.04 1.22 1.21 3koyB1 VAL 381 H 0.02 0.46 -0.15 -0.55 8.24 8.02 3koyB1 VAL 381 HA 0.06 0.00 0.37 -0.75 4.13 3.82 3koyB1 VAL 381 HB 0.02 0.11 0.20 -0.04 2.12 2.41 3koyB1 VAL 381 HG13 0.03 -0.02 -0.13 -0.04 0.97 0.81 3koyB1 VAL 381 HG23 0.02 0.09 0.10 -0.04 0.95 1.11 3koyB1 ARG 382 H 0.03 0.54 -0.15 -0.55 8.46 8.33 3koyB1 ARG 382 HA 0.04 0.01 0.35 -0.75 4.34 3.99 3koyB1 ARG 382 HB2 0.03 0.02 0.12 -0.04 1.90 2.02 3koyB1 ARG 382 HB3 0.03 0.15 0.13 -0.04 1.80 2.07 3koyB1 ARG 382 HG2 0.03 -0.01 -0.04 -0.04 1.67 1.61 3koyB1 ARG 382 HG3 0.03 -0.04 -0.25 -0.04 1.67 1.38 3koyB1 ARG 382 HD2 0.03 -0.01 0.05 -0.04 3.22 3.24 3koyB1 ARG 382 HD3 0.02 0.01 0.01 -0.04 3.22 3.22 3koyB1 GLU 383 H 0.06 0.33 -0.32 -0.55 8.60 8.13 3koyB1 GLU 383 HA 0.06 -0.00 0.41 -0.75 4.29 4.01 3koyB1 GLU 383 HB2 0.06 0.12 0.18 -0.04 2.09 2.42 3koyB1 GLU 383 HB3 0.10 0.03 0.22 -0.04 1.99 2.30 3koyB1 GLU 383 HG2 0.07 -0.04 -0.07 -0.04 2.34 2.26 3koyB1 GLU 383 HG3 0.05 -0.02 0.04 -0.04 2.34 2.37 3koyB1 LEU 384 H 0.12 0.60 0.06 -0.55 8.37 8.61 3koyB1 LEU 384 HA 0.19 -0.02 0.41 -0.75 4.35 4.17 3koyB1 LEU 384 HB2 0.16 0.10 0.13 -0.04 1.64 1.99 3koyB1 LEU 384 HB3 0.23 -0.06 -0.02 -0.04 1.64 1.75 3koyB1 LEU 384 HG 0.17 0.15 0.11 -0.04 1.64 2.03 3koyB1 LEU 384 HD13 0.21 -0.01 -0.11 -0.04 0.93 0.98 3koyB1 LEU 384 HD23 0.26 -0.02 0.01 -0.04 0.89 1.10 3koyB1 LYS 385 H 0.10 0.61 -0.13 -0.55 8.42 8.45 3koyB1 LYS 385 HA 0.10 -0.04 0.43 -0.75 4.32 4.06 3koyB1 LYS 385 HB2 0.06 0.17 0.13 -0.04 1.87 2.19 3koyB1 LYS 385 HB3 0.05 -0.05 0.00 -0.04 1.79 1.75 3koyB1 LYS 385 HG2 0.06 -0.03 0.02 -0.04 1.46 1.47 3koyB1 LYS 385 HG3 0.08 -0.02 0.05 -0.04 1.46 1.52 3koyB1 LYS 385 HD2 0.04 0.01 -0.20 -0.04 1.69 1.50 3koyB1 LYS 385 HD3 0.03 -0.01 -0.04 -0.04 1.68 1.62 3koyB1 LYS 385 HE2 0.04 0.03 0.01 -0.04 2.99 3.04 3koyB1 LYS 385 HE3 0.03 -0.05 -0.06 -0.04 2.99 2.87 3koyB1 GLU 386 H 0.07 0.61 -0.13 -0.55 8.60 8.61 3koyB1 GLU 386 HA 0.06 -0.00 0.57 -0.75 4.29 4.16 3koyB1 GLU 386 HB2 0.05 0.15 0.24 -0.04 2.09 2.49 3koyB1 GLU 386 HB3 0.04 -0.09 0.04 -0.04 1.99 1.94 3koyB1 GLU 386 HG2 0.04 -0.07 0.04 -0.04 2.34 2.30 3koyB1 GLU 386 HG3 0.04 0.21 0.09 -0.04 2.34 2.64 3koyB1 ARG 387 H 0.10 0.67 0.09 -0.55 8.46 8.76 3koyB1 ARG 387 HA 0.15 -0.01 0.47 -0.75 4.34 4.20 3koyB1 ARG 387 HB2 0.15 0.07 0.15 -0.04 1.90 2.23 3koyB1 ARG 387 HB3 0.20 0.04 0.03 -0.04 1.80 2.02 3koyB1 ARG 387 HG2 -0.05 -0.04 0.11 -0.04 1.67 1.65 3koyB1 ARG 387 HG3 0.03 0.03 0.04 -0.04 1.67 1.73 3koyB1 ARG 387 HD2 0.05 -0.08 -0.03 -0.04 3.22 3.13 3koyB1 ARG 387 HD3 -0.42 0.30 0.09 -0.04 3.22 3.15 3koyB1 ALA 388 H 0.13 0.56 -0.26 -0.55 8.40 8.29 3koyB1 ALA 388 HA 0.08 -0.01 0.48 -0.75 4.34 4.14 3koyB1 ALA 388 HB3 0.10 0.04 0.08 -0.04 1.41 1.60 3koyB1 VAL 389 H 0.08 0.63 -0.01 -0.55 8.24 8.39 3koyB1 VAL 389 HA 0.05 -0.01 0.43 -0.75 4.13 3.85 3koyB1 VAL 389 HB 0.06 0.10 0.21 -0.04 2.12 2.45 3koyB1 VAL 389 HG13 0.04 -0.02 -0.08 -0.04 0.97 0.87 3koyB1 VAL 389 HG23 0.03 0.05 0.08 -0.04 0.95 1.08 3koyB1 LEU 390 H 0.12 0.62 -0.25 -0.55 8.37 8.32 3koyB1 LEU 390 HA 0.10 -0.01 0.40 -0.75 4.35 4.09 3koyB1 LEU 390 HB2 0.24 0.12 0.17 -0.04 1.64 2.13 3koyB1 LEU 390 HB3 0.19 -0.06 -0.02 -0.04 1.64 1.71 3koyB1 LEU 390 HG 0.07 0.15 0.05 -0.04 1.64 1.87 3koyB1 LEU 390 HD13 0.02 -0.02 -0.03 -0.04 0.93 0.85 3koyB1 LEU 390 HD23 0.04 -0.02 0.00 -0.04 0.89 0.87 3koyB1 PHE 391 H 0.17 0.64 -0.13 -0.55 8.34 8.46 3koyB1 PHE 391 HA -0.71 -0.03 0.38 -0.75 4.62 3.51 3koyB1 PHE 391 HB2 -0.58 0.21 0.18 -0.04 3.15 2.92 3koyB1 PHE 391 HB3 -0.24 0.10 0.12 -0.04 3.06 2.99 3koyB1 PHE 391 HD2 -0.46 -0.01 -0.21 -0.04 7.28 6.57 3koyB1 PHE 391 HE2 -0.32 -0.04 -0.06 -0.04 7.38 6.92 3koyB1 PHE 391 HZ -0.51 0.09 -0.10 -0.04 7.32 6.76 3koyB1 MET 392 H 0.13 0.54 -0.25 -0.55 8.47 8.33 3koyB1 MET 392 HA 0.18 -0.06 0.42 -0.75 4.52 4.31 3koyB1 MET 392 HB2 0.07 0.17 0.13 -0.04 2.15 2.48 3koyB1 MET 392 HB3 0.07 -0.04 0.03 -0.04 2.03 2.04 3koyB1 MET 392 HG2 0.09 -0.10 0.02 -0.04 2.63 2.59 3koyB1 MET 392 HG3 0.02 0.03 0.01 -0.04 2.56 2.58 3koyB1 MET 392 HE3 0.01 0.03 -0.06 -0.04 2.10 2.05 3koyB1 GLU 393 H 0.10 0.51 -0.18 -0.55 8.60 8.47 3koyB1 GLU 393 HA 0.06 -0.00 0.54 -0.75 4.29 4.14 3koyB1 GLU 393 HB2 0.08 0.16 0.24 -0.04 2.09 2.53 3koyB1 GLU 393 HB3 0.06 -0.05 -0.01 -0.04 1.99 1.95 3koyB1 GLU 393 HG2 0.04 -0.05 0.05 -0.04 2.34 2.34 3koyB1 GLU 393 HG3 0.05 0.00 0.04 -0.04 2.34 2.39 3koyB1 GLU 394 H 0.11 0.55 -0.16 -0.55 8.60 8.56 3koyB1 GLU 394 HA 0.11 0.04 0.49 -0.75 4.29 4.18 3koyB1 GLU 394 HB2 0.08 0.04 0.07 -0.04 2.09 2.24 3koyB1 GLU 394 HB3 0.07 0.08 0.06 -0.04 1.99 2.15 3koyB1 GLU 394 HG2 0.26 -0.05 0.02 -0.04 2.34 2.53 3koyB1 GLU 394 HG3 0.06 -0.01 0.02 -0.04 2.34 2.37 3koyB1 ILE 395 H 0.20 0.39 -0.20 -0.55 8.25 8.08 3koyB1 ILE 395 HA 0.09 0.05 0.48 -0.75 4.18 4.05 3koyB1 ILE 395 HB 0.14 0.15 0.10 -0.04 1.89 2.24 3koyB1 ILE 395 HG12 0.34 -0.03 -0.03 -0.04 1.49 1.73 3koyB1 ILE 395 HG13 0.34 0.26 0.01 -0.04 1.21 1.78 3koyB1 ILE 395 HG23 0.10 -0.04 -0.27 -0.04 0.93 0.67 3koyB1 ILE 395 HD13 0.32 -0.02 -0.07 -0.04 0.88 1.06 3koyB1 ILE 396 H 0.08 0.50 -0.08 -0.55 8.25 8.20 3koyB1 ILE 396 HA 0.02 -0.05 0.41 -0.75 4.18 3.80 3koyB1 ILE 396 HB 0.04 0.20 0.15 -0.04 1.89 2.24 3koyB1 ILE 396 HG12 0.02 -0.09 0.04 -0.04 1.49 1.42 3koyB1 ILE 396 HG13 0.05 0.15 0.12 -0.04 1.21 1.50 3koyB1 ILE 396 HG23 0.02 -0.01 -0.10 -0.04 0.93 0.80 3koyB1 ILE 396 HD13 0.03 -0.00 0.01 -0.04 0.88 0.87 3koyB1 GLU 397 H 0.07 0.40 -0.27 -0.55 8.60 8.25 3koyB1 GLU 397 HA 0.03 0.06 0.40 -0.75 4.29 4.02 3koyB1 GLU 397 HB2 0.04 0.02 0.08 -0.04 2.09 2.19 3koyB1 GLU 397 HB3 0.07 0.03 0.11 -0.04 1.99 2.16 3koyB1 GLU 397 HG2 0.04 0.02 -0.14 -0.04 2.34 2.22 3koyB1 GLU 397 HG3 0.03 -0.03 0.08 -0.04 2.34 2.37 3koyB1 ALA 398 H 0.05 0.36 -0.33 -0.55 8.40 7.94 3koyB1 ALA 398 HA 0.02 0.13 0.79 -0.75 4.34 4.52 3koyB1 ALA 398 HB3 -0.07 -0.01 0.06 -0.04 1.41 1.35 3koyB1 GLY 399 H -0.00 0.29 -0.42 -0.55 8.43 7.75 3koyB1 GLY 399 HA2 -0.01 0.07 0.26 -0.51 4.01 3.82 3koyB1 GLY 399 HA3 -0.02 0.10 0.76 -0.51 4.01 4.35 3koyB1 GLY 400 H -0.03 0.65 0.14 -0.55 8.43 8.65 3koyB1 GLY 400 HA2 -0.03 0.03 0.24 -0.51 4.01 3.73 3koyB1 GLY 400 HA3 -0.07 0.20 0.94 -0.51 4.01 4.57 3koyB1 TYR 401 H -0.08 0.21 0.10 -0.55 8.29 7.96 3koyB1 TYR 401 HA -0.06 0.08 0.25 -0.75 4.56 4.07 3koyB1 TYR 401 HB2 -0.25 0.07 0.09 -0.04 3.06 2.92 3koyB1 TYR 401 HB3 -0.59 -0.01 0.11 -0.04 2.98 2.45 3koyB1 TYR 401 HD2 -0.35 0.01 -0.09 -0.04 7.15 6.68 3koyB1 TYR 401 HE2 -0.24 0.01 -0.09 -0.04 6.85 6.49 3koyB1 PHE 402 H -0.34 0.13 -0.12 -0.55 8.34 7.46 3koyB1 PHE 402 HA -0.28 0.04 0.31 -0.75 4.62 3.95 3koyB1 PHE 402 HB2 -0.10 0.03 0.04 -0.04 3.15 3.09 3koyB1 PHE 402 HB3 -0.11 0.01 -0.04 -0.04 3.06 2.89 3koyB1 PHE 402 HD2 -0.10 0.03 -0.04 -0.04 7.28 7.13 3koyB1 PHE 402 HE2 -0.10 0.05 -0.11 -0.04 7.38 7.18 3koyB1 PHE 402 HZ -0.06 0.05 -0.07 -0.04 7.32 7.20 3koyB1 ASN 403 H 0.00 0.16 -0.33 -0.55 8.53 7.81 3koyB1 ASN 403 HA -0.07 0.01 0.37 -0.75 4.76 4.31 3koyB1 ASN 403 HB2 -0.10 0.07 -0.19 -0.04 2.88 2.62 3koyB1 ASN 403 HB3 -0.11 0.09 -0.04 -0.04 2.79 2.69 3koyB1 ASN 403 HD21 -0.00 -0.00 -0.01 -0.04 7.03 6.97 3koyB1 ASN 403 HD22 -0.03 -0.06 -0.01 -0.04 7.74 7.60 3koyB1 ALA 404 H -0.22 0.57 -0.19 -0.55 8.40 8.01 3koyB1 ALA 404 HA -1.10 0.06 0.42 -0.75 4.34 2.96 3koyB1 ALA 404 HB3 -0.21 0.02 0.07 -0.04 1.41 1.24 3koyB1 VAL 405 H -0.25 0.51 -0.24 -0.55 8.24 7.72 3koyB1 VAL 405 HA 0.07 -0.04 0.44 -0.75 4.13 3.84 3koyB1 VAL 405 HB -0.21 0.10 0.10 -0.04 2.12 2.07 3koyB1 VAL 405 HG13 -0.11 -0.04 -0.03 -0.04 0.97 0.75 3koyB1 VAL 405 HG23 -0.78 0.06 -0.01 -0.04 0.95 0.18 3koyB1 GLU 406 H -0.12 0.44 0.01 -0.55 8.60 8.38 3koyB1 GLU 406 HA -0.06 0.28 0.69 -0.75 4.29 4.45 3koyB1 GLU 406 HB2 -0.08 0.02 0.22 -0.04 2.09 2.21 3koyB1 GLU 406 HB3 -0.06 0.00 -0.01 -0.04 1.99 1.88 3koyB1 GLU 406 HG2 -0.06 0.21 0.25 -0.04 2.34 2.69 3koyB1 GLU 406 HG3 -0.08 -0.11 0.13 -0.04 2.34 2.23 3koyB1 GLN 407 H -0.16 0.52 -0.21 -0.55 8.47 8.07 3koyB1 GLN 407 HA 0.01 0.11 0.63 -0.75 4.36 4.35 3koyB1 GLN 407 HB2 -0.33 0.03 0.09 -0.04 2.15 1.90 3koyB1 GLN 407 HB3 0.15 -0.05 0.10 -0.04 2.02 2.18 3koyB1 GLN 407 HG2 -0.01 -0.03 -0.00 -0.04 2.40 2.32 3koyB1 GLN 407 HG3 -0.09 0.01 -0.03 -0.04 2.39 2.24 3koyB1 GLN 407 HE21 0.10 -0.00 -0.00 -0.04 6.97 7.02 3koyB1 GLN 407 HE22 0.14 -0.01 0.00 -0.04 7.69 7.78 3koyB1 GLY 408 H 0.02 0.15 -0.53 -0.55 8.43 7.52 3koyB1 GLY 408 HA2 0.10 0.32 0.08 -0.51 4.01 3.99 3koyB1 GLY 408 HA3 0.09 0.05 0.05 -0.51 4.01 3.69 3koyB1 PHE 409 H 0.27 0.53 -0.01 -0.55 8.34 8.58 3koyB1 PHE 409 HA -0.11 0.04 0.32 -0.75 4.62 4.12 3koyB1 PHE 409 HB2 -0.16 -0.03 -0.02 -0.04 3.15 2.90 3koyB1 PHE 409 HB3 -0.31 -0.06 -0.04 -0.04 3.06 2.60 3koyB1 PHE 409 HD2 -0.09 -0.02 -0.21 -0.04 7.28 6.93 3koyB1 PHE 409 HE2 -0.05 0.03 -0.23 -0.04 7.38 7.10 3koyB1 PHE 409 HZ -0.04 0.03 -0.05 -0.04 7.32 7.22 3koyB1 PHE 410 H 0.32 0.13 -0.32 -0.55 8.34 7.91 3koyB1 PHE 410 HA 0.19 0.06 0.60 -0.75 4.62 4.72 3koyB1 PHE 410 HB2 0.00 0.09 0.04 -0.04 3.15 3.24 3koyB1 PHE 410 HB3 0.02 -0.02 -0.01 -0.04 3.06 3.00 3koyB1 PHE 410 HD2 0.02 0.01 -0.06 -0.04 7.28 7.21 3koyB1 PHE 410 HE2 -0.05 -0.00 -0.09 -0.04 7.38 7.20 3koyB1 PHE 410 HZ 0.20 -0.01 -0.09 -0.04 7.32 7.39 3koyB1 VAL 411 H 0.21 0.10 0.16 -0.55 8.24 8.16 3koyB1 VAL 411 HA 0.12 0.05 0.27 -0.75 4.13 3.81 3koyB1 VAL 411 HB 0.07 -0.05 0.36 -0.04 2.12 2.47 3koyB1 VAL 411 HG13 0.10 0.02 -0.02 -0.04 0.97 1.03 3koyB1 VAL 411 HG23 0.06 0.02 -0.39 -0.04 0.95 0.61 3koyB1 ASP 412 H 0.09 0.12 -0.06 -0.55 8.40 8.00 3koyB1 ASP 412 HA 0.03 0.11 0.61 -0.75 4.63 4.62 3koyB1 ASP 412 HB2 0.03 0.26 -0.05 -0.04 2.71 2.91 3koyB1 ASP 412 HB3 0.03 0.11 0.14 -0.04 2.70 2.93 3koyB1 SER 413 H -0.00 0.19 0.05 -0.55 8.46 8.16 3koyB1 SER 413 HA -0.04 -0.00 0.34 -0.75 4.49 4.03 3koyB1 SER 413 HB2 -0.06 -0.03 0.14 -0.04 3.95 3.96 3koyB1 SER 413 HB3 -0.02 0.11 0.14 -0.04 3.93 4.12 3koyB1 GLY 414 H -0.01 -0.16 -0.68 -0.55 8.43 7.03 3koyB1 GLY 414 HA2 -0.02 0.06 0.36 -0.51 4.01 3.90 3koyB1 GLY 414 HA3 -0.01 -0.05 0.03 -0.51 4.01 3.47 3koyB1 TYR 415 H 0.10 0.06 0.07 -0.55 8.29 7.97 3koyB1 TYR 415 HA 0.00 0.47 0.88 -0.75 4.56 5.15 3koyB1 TYR 415 HB2 -0.06 -0.05 0.16 -0.04 3.06 3.07 3koyB1 TYR 415 HB3 -0.02 -0.09 0.24 -0.04 2.98 3.08 3koyB1 TYR 415 HD2 0.05 0.06 0.06 -0.04 7.15 7.28 3koyB1 TYR 415 HE2 0.09 -0.05 0.01 -0.04 6.85 6.85 3koyB1 TYR 416 H 0.24 0.28 0.06 -0.55 8.29 8.32 3koyB1 TYR 416 HA -0.16 0.09 0.13 -0.75 4.56 3.87 3koyB1 TYR 416 HB2 -0.01 0.04 0.10 -0.04 3.06 3.15 3koyB1 TYR 416 HB3 0.13 -0.07 0.05 -0.04 2.98 3.04 3koyB1 TYR 416 HD2 -0.35 0.02 -0.20 -0.04 7.15 6.58 3koyB1 TYR 416 HE2 -0.46 -0.02 -0.07 -0.04 6.85 6.27 3koyB1 PRO 417 HA -2.02 0.04 0.23 -0.51 4.44 2.18 3koyB1 PRO 417 HB2 -0.41 0.01 -0.03 -0.04 2.28 1.81 3koyB1 PRO 417 HB3 -0.70 0.02 0.07 -0.04 2.02 1.36 3koyB1 PRO 417 HG2 -0.26 0.02 0.08 -0.04 2.03 1.82 3koyB1 PRO 417 HG3 -0.44 0.02 0.03 -0.04 2.03 1.61 3koyB1 PRO 417 HD2 -0.32 0.05 0.26 -0.04 3.68 3.63 3koyB1 PRO 417 HD3 -0.19 0.17 0.56 -0.04 3.65 4.15 3koyB1 GLU 418 H -0.27 0.43 -0.03 -0.55 8.60 8.18 3koyB1 GLU 418 HA -0.17 0.05 0.50 -0.75 4.29 3.92 3koyB1 GLU 418 HB2 -0.09 0.09 0.07 -0.04 2.09 2.12 3koyB1 GLU 418 HB3 -0.05 -0.14 -0.12 -0.04 1.99 1.64 3koyB1 GLU 418 HG2 -0.05 -0.07 -0.27 -0.04 2.34 1.91 3koyB1 GLU 418 HG3 -0.06 0.06 -0.03 -0.04 2.34 2.27 3koyB1 ARG 419 H -0.15 0.24 0.14 -0.55 8.46 8.14 3koyB1 ARG 419 HA -0.10 0.08 0.71 -0.75 4.34 4.29 3koyB1 ARG 419 HB2 -0.24 0.10 -0.03 -0.04 1.90 1.70 3koyB1 ARG 419 HB3 -0.18 0.05 0.13 -0.04 1.80 1.76 3koyB1 ARG 419 HG2 -0.09 -0.05 -0.19 -0.04 1.67 1.31 3koyB1 ARG 419 HG3 -0.09 -0.11 -0.01 -0.04 1.67 1.41 3koyB1 ARG 419 HD2 -0.15 0.02 -0.03 -0.04 3.22 3.01 3koyB1 ARG 419 HD3 -0.07 0.10 -0.08 -0.04 3.22 3.13 3koyB1 ASN 420 H -0.04 0.07 0.02 -0.55 8.53 8.04 3koyB1 ASN 420 HA -0.04 0.23 0.56 -0.75 4.76 4.76 3koyB1 ASN 420 HB2 -0.02 -0.16 0.05 -0.04 2.88 2.71 3koyB1 ASN 420 HB3 -0.02 0.10 0.11 -0.04 2.79 2.93 3koyB1 ASN 420 HD21 -0.02 0.05 -0.16 -0.04 7.03 6.86 3koyB1 ASN 420 HD22 -0.03 -0.04 -0.18 -0.04 7.74 7.45 3koyB1 GLY 421 H -0.04 0.05 -0.29 -0.55 8.43 7.61 3koyB1 GLY 421 HA2 -0.01 0.09 0.26 -0.51 4.01 3.84 3koyB1 GLY 421 HA3 -0.01 0.13 0.37 -0.51 4.01 3.98 3koyB1 ASP 422 H -0.00 -0.16 -0.32 -0.55 8.40 7.37 3koyB1 ASP 422 HA 0.01 0.30 0.86 -0.75 4.63 5.04 3koyB1 ASP 422 HB2 0.00 0.05 0.16 -0.04 2.71 2.88 3koyB1 ASP 422 HB3 -0.00 0.08 -0.08 -0.04 2.70 2.65 3koyB1 GLY 423 H 0.02 -0.01 -0.21 -0.55 8.43 7.68 3koyB1 GLY 423 HA2 0.04 0.46 0.41 -0.51 4.01 4.41 3koyB1 GLY 423 HA3 0.06 0.17 0.01 -0.51 4.01 3.74 3koyB1 ILE 424 H 0.06 0.33 0.20 -0.55 8.25 8.29 3koyB1 ILE 424 HA 0.01 0.11 0.77 -0.75 4.18 4.31 3koyB1 ILE 424 HB -0.00 -0.07 0.09 -0.04 1.89 1.87 3koyB1 ILE 424 HG12 0.02 0.03 -0.01 -0.04 1.49 1.49 3koyB1 ILE 424 HG13 -0.00 0.01 0.01 -0.04 1.21 1.18 3koyB1 ILE 424 HG23 -0.04 0.02 -0.19 -0.04 0.93 0.67 3koyB1 ILE 424 HD13 0.00 0.01 -0.01 -0.04 0.88 0.85 3koyB1 ALA 425 H 0.00 0.20 0.13 -0.55 8.40 8.18 3koyB1 ALA 425 HA 0.01 0.34 1.04 -0.75 4.34 4.97 3koyB1 ALA 425 HB3 0.00 0.03 -0.02 -0.04 1.41 1.38 3koyB1 ARG 426 H -0.04 0.40 0.09 -0.55 8.46 8.36 3koyB1 ARG 426 HA -0.04 0.13 0.80 -0.75 4.34 4.47 3koyB1 ARG 426 HB2 -0.07 -0.09 -0.10 -0.04 1.90 1.61 3koyB1 ARG 426 HB3 -0.05 0.00 -0.07 -0.04 1.80 1.64 3koyB1 ARG 426 HG2 -0.06 -0.00 -0.31 -0.04 1.67 1.26 3koyB1 ARG 426 HG3 -0.08 0.02 -0.25 -0.04 1.67 1.31 3koyB1 ARG 426 HD2 -0.04 -0.06 -0.04 -0.04 3.22 3.03 3koyB1 ARG 426 HD3 -0.04 0.07 -0.33 -0.04 3.22 2.88 3koyB1 GLN 427 H -0.05 0.14 0.07 -0.55 8.47 8.08 3koyB1 GLN 427 HA -0.07 0.25 0.91 -0.75 4.36 4.70 3koyB1 GLN 427 HB2 -0.05 -0.02 0.06 -0.04 2.15 2.11 3koyB1 GLN 427 HB3 -0.06 -0.08 -0.05 -0.04 2.02 1.80 3koyB1 GLN 427 HG2 -0.04 0.02 -0.04 -0.04 2.40 2.31 3koyB1 GLN 427 HG3 -0.04 0.10 -0.08 -0.04 2.39 2.32 3koyB1 GLN 427 HE21 -0.02 0.16 -0.14 -0.04 6.97 6.92 3koyB1 GLN 427 HE22 -0.03 0.09 -0.23 -0.04 7.69 7.48 3koyB1 ILE 428 H -0.10 0.23 0.13 -0.55 8.25 7.95 3koyB1 ILE 428 HA -0.24 0.01 0.08 -0.75 4.18 3.28 3koyB1 ILE 428 HB -0.42 -0.05 0.08 -0.04 1.89 1.47 3koyB1 ILE 428 HG12 -0.13 0.03 -0.08 -0.04 1.49 1.27 3koyB1 ILE 428 HG13 -0.21 0.03 -0.59 -0.04 1.21 0.40 3koyB1 ILE 428 HG23 -0.10 0.04 0.03 -0.04 0.93 0.87 3koyB1 ILE 428 HD13 -0.23 0.00 -0.02 -0.04 0.88 0.58 3koyB1 ASN 429 H -0.10 0.04 -0.55 -0.55 8.53 7.38 3koyB1 ASN 429 HA -0.11 0.11 0.87 -0.75 4.76 4.88 3koyB1 ASN 429 HB2 -0.07 0.03 0.22 -0.04 2.88 3.02 3koyB1 ASN 429 HB3 -0.10 0.02 0.04 -0.04 2.79 2.70 3koyB1 ASN 429 HD21 -0.06 0.03 -0.04 -0.04 7.03 6.92 3koyB1 ASN 429 HD22 -0.07 0.02 -0.05 -0.04 7.74 7.60 3koyB1 GLY 430 H -0.08 0.60 0.00 -0.55 8.43 8.41 3koyB1 GLY 430 HA2 -0.04 0.17 0.63 -0.51 4.01 4.26 3koyB1 GLY 430 HA3 -0.04 -0.03 0.38 -0.51 4.01 3.81 3koyB1 GLY 431 H -0.02 0.08 0.09 -0.55 8.43 8.03 3koyB1 GLY 431 HA2 -0.00 0.06 0.38 -0.51 4.01 3.94 3koyB1 GLY 431 HA3 -0.01 0.17 0.36 -0.51 4.01 4.01 3koyB1 ILE 432 H 0.04 0.57 0.26 -0.55 8.25 8.57 3koyB1 ILE 432 HA 0.04 -0.03 0.40 -0.75 4.18 3.84 3koyB1 ILE 432 HB 0.08 -0.08 0.12 -0.04 1.89 1.97 3koyB1 ILE 432 HG12 0.18 0.22 0.02 -0.04 1.49 1.86 3koyB1 ILE 432 HG13 0.35 -0.01 0.02 -0.04 1.21 1.53 3koyB1 ILE 432 HG23 0.13 -0.00 -0.05 -0.04 0.93 0.97 3koyB1 ILE 432 HD13 0.04 -0.04 0.04 -0.04 0.88 0.88 3koyB1 GLY 433 H 0.03 0.11 0.21 -0.55 8.43 8.23 3koyB1 GLY 433 HA2 0.02 0.06 0.32 -0.51 4.01 3.91 3koyB1 GLY 433 HA3 0.03 0.01 0.33 -0.51 4.01 3.87 3koyB1 ALA 434 H -0.01 0.14 -0.04 -0.55 8.40 7.95 3koyB1 ALA 434 HA -0.04 -0.04 0.49 -0.75 4.34 3.99 3koyB1 ALA 434 HB3 -0.04 0.04 -0.20 -0.04 1.41 1.17 3koyB1 GLY 435 H -0.08 0.07 0.18 -0.55 8.43 8.06 3koyB1 GLY 435 HA2 -0.12 -0.01 0.38 -0.51 4.01 3.75 3koyB1 GLY 435 HA3 -0.09 0.11 0.37 -0.51 4.01 3.89 3koyB1 THR 436 H -0.10 0.04 -0.16 -0.55 8.28 7.51 3koyB1 THR 436 HA -0.23 0.24 0.75 -0.75 4.39 4.39 3koyB1 THR 436 HB 0.07 -0.02 0.13 -0.04 4.32 4.46 3koyB1 THR 436 HG23 0.01 0.04 -0.31 -0.04 1.22 0.92 3koyB1 VAL 437 H -0.19 -0.04 -0.01 -0.55 8.24 7.44 3koyB1 VAL 437 HA -0.02 0.15 0.77 -0.75 4.13 4.27 3koyB1 VAL 437 HB -0.10 -0.05 0.11 -0.04 2.12 2.04 3koyB1 VAL 437 HG13 0.00 0.01 -0.23 -0.04 0.97 0.71 3koyB1 VAL 437 HG23 -0.01 -0.02 -0.09 -0.04 0.95 0.79 3koyB1 PHE 438 H 0.18 0.20 0.12 -0.55 8.34 8.29 3koyB1 PHE 438 HA 0.02 0.15 0.91 -0.75 4.62 4.95 3koyB1 PHE 438 HB2 0.05 -0.01 0.05 -0.04 3.15 3.20 3koyB1 PHE 438 HB3 0.05 0.06 -0.01 -0.04 3.06 3.12 3koyB1 PHE 438 HD2 0.04 0.01 -0.03 -0.04 7.28 7.25 3koyB1 PHE 438 HE2 0.03 0.00 -0.03 -0.04 7.38 7.34 3koyB1 PHE 438 HZ 0.02 0.01 -0.02 -0.04 7.32 7.28 3koyB1 GLU 439 H 0.14 0.12 0.10 -0.55 8.60 8.41 3koyB1 GLU 439 HA 0.05 0.05 0.44 -0.75 4.29 4.08 3koyB1 GLU 439 HB2 0.04 0.00 0.07 -0.04 2.09 2.16 3koyB1 GLU 439 HB3 0.07 -0.02 0.04 -0.04 1.99 2.04 3koyB1 GLU 439 HG2 0.02 0.18 -0.29 -0.04 2.34 2.21 3koyB1 GLU 439 HG3 0.01 -0.03 0.04 -0.04 2.34 2.32 3koyB1 ARG 440 H -0.00 0.11 0.16 -0.55 8.46 8.17 3koyB1 ARG 440 HA 0.05 0.10 0.74 -0.75 4.34 4.48 3koyB1 ARG 440 HB2 -0.06 -0.05 0.13 -0.04 1.90 1.89 3koyB1 ARG 440 HB3 0.01 0.10 0.01 -0.04 1.80 1.89 3koyB1 ARG 440 HG2 -0.52 0.05 -0.01 -0.04 1.67 1.15 3koyB1 ARG 440 HG3 -0.10 -0.02 0.04 -0.04 1.67 1.55 3koyB1 ARG 440 HD2 -0.03 -0.09 0.05 -0.04 3.22 3.11 3koyB1 ARG 440 HD3 -0.24 0.21 0.01 -0.04 3.22 3.15 3koyB1 ASP 441 H 0.21 0.13 0.17 -0.55 8.40 8.37 3koyB1 ASP 441 HA 0.06 0.18 0.72 -0.75 4.63 4.83 3koyB1 ASP 441 HB2 0.14 0.04 0.12 -0.04 2.71 2.97 3koyB1 ASP 441 HB3 0.09 -0.10 0.07 -0.04 2.70 2.72 3koyB1 GLU 442 H 0.05 0.17 0.15 -0.55 8.60 8.42 3koyB1 GLU 442 HA 0.06 0.10 0.32 -0.75 4.29 4.02 3koyB1 GLU 442 HB2 0.01 0.03 0.12 -0.04 2.09 2.21 3koyB1 GLU 442 HB3 0.04 -0.04 0.14 -0.04 1.99 2.09 3koyB1 GLU 442 HG2 0.10 0.02 0.02 -0.04 2.34 2.44 3koyB1 GLU 442 HG3 0.04 0.01 0.00 -0.04 2.34 2.35 3koyB1 ASP 443 H 0.12 -0.04 -0.41 -0.55 8.40 7.52 3koyB1 ASP 443 HA 0.10 0.20 0.79 -0.75 4.63 4.97 3koyB1 ASP 443 HB2 0.02 0.06 0.08 -0.04 2.71 2.84 3koyB1 ASP 443 HB3 0.03 -0.01 -0.03 -0.04 2.70 2.65 3koyB1 TYR 444 H 0.31 0.43 -0.27 -0.55 8.29 8.20 3koyB1 TYR 444 HA 0.07 -0.04 0.43 -0.75 4.56 4.27 3koyB1 TYR 444 HB2 0.14 -0.26 0.20 -0.04 3.06 3.10 3koyB1 TYR 444 HB3 0.29 0.07 0.01 -0.04 2.98 3.31 3koyB1 TYR 444 HD2 0.06 -0.04 -0.13 -0.04 7.15 6.99 3koyB1 TYR 444 HE2 0.01 -0.01 -0.12 -0.04 6.85 6.68 3koyB1 MET 445 H -0.84 0.17 0.23 -0.55 8.47 7.48 3koyB1 MET 445 HA -0.23 0.02 0.48 -0.75 4.52 4.04 3koyB1 MET 445 HB2 -0.03 0.26 -0.18 -0.04 2.15 2.16 3koyB1 MET 445 HB3 -0.14 -0.08 -0.01 -0.04 2.03 1.77 3koyB1 MET 445 HG2 -0.10 -0.15 -0.11 -0.04 2.63 2.24 3koyB1 MET 445 HG3 0.04 0.17 0.01 -0.04 2.56 2.74 3koyB1 MET 445 HE3 -0.11 0.03 -0.24 -0.04 2.10 1.73 3koyB1 ALA 446 H -0.22 0.27 0.01 -0.55 8.40 7.91 3koyB1 ALA 446 HA -0.26 0.17 0.52 -0.75 4.34 4.02 3koyB1 ALA 446 HB3 -0.47 0.01 -0.01 -0.04 1.41 0.90 3koyB1 PRO 447 HA -0.10 0.14 0.41 -0.51 4.44 4.37 3koyB1 PRO 447 HB2 -0.11 0.03 0.14 -0.04 2.28 2.31 3koyB1 PRO 447 HB3 -0.14 0.04 0.02 -0.04 2.02 1.90 3koyB1 PRO 447 HG2 -0.13 0.05 -0.01 -0.04 2.03 1.90 3koyB1 PRO 447 HG3 -0.17 0.04 -0.06 -0.04 2.03 1.80 3koyB1 PRO 447 HD2 -0.13 0.10 -0.05 -0.04 3.68 3.56 3koyB1 PRO 447 HD3 -0.18 0.15 0.05 -0.04 3.65 3.62 3koyB1 VAL 448 H -0.10 0.36 -0.39 -0.55 8.24 7.56 3koyB1 VAL 448 HA -0.08 0.13 0.79 -0.75 4.13 4.22 3koyB1 VAL 448 HB -0.08 0.02 0.02 -0.04 2.12 2.04 3koyB1 VAL 448 HG13 -0.07 -0.01 -0.24 -0.04 0.97 0.61 3koyB1 VAL 448 HG23 -0.03 -0.00 -0.27 -0.04 0.95 0.60 3koyB1 THR 449 H -0.12 0.04 0.08 -0.55 8.28 7.72 3koyB1 THR 449 HA -0.04 0.13 0.74 -0.75 4.39 4.46 3koyB1 THR 449 HB -0.37 0.05 -0.03 -0.04 4.32 3.94 3koyB1 THR 449 HG23 -0.01 0.04 0.05 -0.04 1.22 1.26 3koyB1 ALA 450 H -0.00 0.17 0.13 -0.55 8.40 8.16 3koyB1 ALA 450 HA 0.05 0.12 0.27 -0.75 4.34 4.03 3koyB1 ALA 450 HB3 -0.12 0.04 -0.15 -0.04 1.41 1.14 3koyB1 HIS 451 H 0.12 0.12 -0.15 -0.55 8.41 7.96 3koyB1 HIS 451 HA 0.06 0.09 0.77 -0.75 4.63 4.80 3koyB1 HIS 451 HB2 0.02 0.00 -0.16 -0.04 3.26 3.08 3koyB1 HIS 451 HB3 0.02 0.08 -0.03 -0.04 3.20 3.23 3koyB1 HIS 451 HD2 0.07 0.25 -0.30 -0.04 6.97 6.95 3koyB1 HIS 451 HE1 0.17 -0.01 -0.04 -0.04 7.75 7.82 3koyB1 PHE 452 H -0.43 -0.00 0.07 -0.55 8.34 7.42 3koyB1 PHE 452 HA -0.07 0.27 0.49 -0.75 4.62 4.55 3koyB1 PHE 452 HB2 -0.11 0.18 -0.12 -0.04 3.15 3.07 3koyB1 PHE 452 HB3 -0.19 -0.16 -0.05 -0.04 3.06 2.62 3koyB1 PHE 452 HD2 -0.06 0.02 -0.06 -0.04 7.28 7.13 3koyB1 PHE 452 HE2 -0.03 0.02 -0.01 -0.04 7.38 7.32 3koyB1 PHE 452 HZ -0.02 -0.03 -0.03 -0.04 7.32 7.20 3koyB1 GLY 453 H -0.38 -0.05 -0.03 -0.55 8.43 7.42 3koyB1 GLY 453 HA2 -0.44 0.18 0.37 -0.51 4.01 3.62 3koyB1 GLY 453 HA3 -0.07 -0.06 0.27 -0.51 4.01 3.65 3koyB1 TYR 454 H 0.08 0.05 0.09 -0.55 8.29 7.95 3koyB1 TYR 454 HA -0.01 0.03 0.30 -0.75 4.56 4.12 3koyB1 TYR 454 HB2 -0.03 0.00 0.10 -0.04 3.06 3.10 3koyB1 TYR 454 HB3 -0.06 -0.05 0.10 -0.04 2.98 2.92 3koyB1 TYR 454 HD2 0.04 -0.02 -0.10 -0.04 7.15 7.02 3koyB1 TYR 454 HE2 0.06 0.06 -0.09 -0.04 6.85 6.85 3koyB1 ASN 455 H -0.33 0.13 0.08 -0.55 8.53 7.86 3koyB1 ASN 455 HA 0.02 0.18 0.88 -0.75 4.76 5.09 3koyB1 ASN 455 HB2 0.11 0.18 -0.18 -0.04 2.88 2.96 3koyB1 ASN 455 HB3 -0.04 -0.02 0.16 -0.04 2.79 2.85 3koyB1 ASN 455 HD21 -0.08 0.36 0.12 -0.04 7.03 7.38 3koyB1 ASN 455 HD22 -0.01 0.01 0.03 -0.04 7.74 7.74 3koyB1 ASN 456 H -0.22 0.50 0.01 -0.55 8.53 8.27 3koyB1 ASN 456 HA -0.18 -0.06 0.66 -0.75 4.76 4.42 3koyB1 ASN 456 HB2 -0.04 0.08 0.12 -0.04 2.88 3.00 3koyB1 ASN 456 HB3 0.02 0.26 0.10 -0.04 2.79 3.13 3koyB1 ASN 456 HD21 -0.00 -0.09 -0.02 -0.04 7.03 6.88 3koyB1 ASN 456 HD22 0.07 0.13 0.19 -0.04 7.74 8.09 3koyB1 VAL 457 H -0.05 0.11 0.30 -0.55 8.24 8.06 3koyB1 VAL 457 HA 0.10 0.25 0.78 -0.75 4.13 4.50 3koyB1 VAL 457 HB -0.01 0.02 0.07 -0.04 2.12 2.16 3koyB1 VAL 457 HG13 0.02 0.06 -0.41 -0.04 0.97 0.60 3koyB1 VAL 457 HG23 -0.03 0.03 -0.17 -0.04 0.95 0.73 3koyB1 LYS 458 H -0.01 0.16 0.12 -0.55 8.42 8.14 3koyB1 LYS 458 HA 0.01 -0.03 0.15 -0.75 4.32 3.69 3koyB1 LYS 458 HB2 -0.01 0.03 0.16 -0.04 1.87 2.01 3koyB1 LYS 458 HB3 -0.01 0.08 -0.06 -0.04 1.79 1.76 3koyB1 LYS 458 HG2 -0.00 -0.01 0.00 -0.04 1.46 1.42 3koyB1 LYS 458 HG3 0.00 -0.01 0.12 -0.04 1.46 1.53 3koyB1 LYS 458 HD2 0.01 0.03 0.04 -0.04 1.69 1.72 3koyB1 LYS 458 HD3 0.01 0.02 -0.02 -0.04 1.68 1.65 3koyB1 LYS 458 HE2 0.00 -0.01 0.01 -0.04 2.99 2.95 3koyB1 LYS 458 HE3 0.01 0.02 0.04 -0.04 2.99 3.01 3koyB1 GLN 459 H -0.03 0.09 -0.67 -0.55 8.47 7.31 3koyB1 GLN 459 HA -0.12 0.01 0.15 -0.75 4.36 3.65 3koyB1 GLN 459 HB2 -0.28 -0.00 0.04 -0.04 2.15 1.87 3koyB1 GLN 459 HB3 -0.10 -0.05 -0.02 -0.04 2.02 1.81 3koyB1 GLN 459 HG2 -0.02 0.06 -0.31 -0.04 2.40 2.08 3koyB1 GLN 459 HG3 -0.65 0.05 -0.34 -0.04 2.39 1.41 3koyB1 GLN 459 HE21 0.06 0.22 0.05 -0.04 6.97 7.26 3koyB1 GLN 459 HE22 0.11 0.33 0.01 -0.04 7.69 8.10 3koyB1 TYR 460 H 0.07 0.71 -0.67 -0.55 8.29 7.85 3koyB1 TYR 460 HA -0.02 0.16 0.94 -0.75 4.56 4.89 3koyB1 TYR 460 HB2 -0.03 0.09 0.04 -0.04 3.06 3.12 3koyB1 TYR 460 HB3 -0.03 -0.04 0.04 -0.04 2.98 2.91 3koyB1 TYR 460 HD2 -0.04 0.02 -0.00 -0.04 7.15 7.09 3koyB1 TYR 460 HE2 -0.04 0.01 -0.03 -0.04 6.85 6.74 3koyB1 ASP 461 H 0.06 0.15 -0.09 -0.55 8.40 7.97 3koyB1 ASP 461 HA 0.03 0.05 0.50 -0.75 4.63 4.46 3koyB1 ASP 461 HB2 0.06 0.44 -0.28 -0.04 2.71 2.89 3koyB1 ASP 461 HB3 0.04 -0.10 -0.05 -0.04 2.70 2.54 3koyB1 GLU 462 H 0.01 0.29 0.17 -0.55 8.60 8.52 3koyB1 GLU 462 HA 0.01 -0.00 0.49 -0.75 4.29 4.03 3koyB1 ALA 463 H 0.01 0.04 -0.90 -0.55 8.40 7.00 3koyB1 ALA 463 HA 0.01 0.21 0.77 -0.75 4.34 4.58 3koyB1 ALA 463 HB3 0.01 0.03 0.00 -0.04 1.41 1.41 3koyB1 LEU 464 H 0.01 0.50 -0.10 -0.55 8.37 8.23 3koyB1 LEU 464 HA 0.00 0.19 0.78 -0.75 4.35 4.57 3koyB1 LEU 464 HB2 0.01 0.11 -0.03 -0.04 1.64 1.69 3koyB1 LEU 464 HB3 -0.01 -0.00 -0.04 -0.04 1.64 1.55 3koyB1 LEU 464 HG -0.01 -0.01 -0.08 -0.04 1.64 1.50 3koyB1 LEU 464 HD13 0.00 -0.03 -0.36 -0.04 0.93 0.51 3koyB1 LEU 464 HD23 0.00 0.01 -0.11 -0.04 0.89 0.75 3koyB1 VAL 465 H 0.01 0.16 -0.44 -0.55 8.24 7.42 3koyB1 VAL 465 HA -0.01 0.05 0.39 -0.75 4.13 3.81 3koyB1 VAL 465 HB 0.00 0.07 0.06 -0.04 2.12 2.21 3koyB1 VAL 465 HG13 0.00 0.01 -0.13 -0.04 0.97 0.81 3koyB1 VAL 465 HG23 -0.01 -0.04 0.11 -0.04 0.95 0.96 3koyB1 SER 466 H 0.01 0.08 -0.34 -0.55 8.46 7.65 3koyB1 SER 466 HA 0.01 0.11 0.36 -0.75 4.49 4.22 3koyB1 SER 466 HB2 0.02 0.03 -0.01 -0.04 3.95 3.95 3koyB1 SER 466 HB3 0.01 0.00 0.06 -0.04 3.93 3.96 3koyB1 GLU 467 H 0.00 0.13 -0.67 -0.55 8.60 7.52 3koyB1 GLU 467 HA 0.01 0.26 0.96 -0.75 4.29 4.76 3koyB1 GLU 467 HB2 0.01 -0.00 0.07 -0.04 2.09 2.13 3koyB1 GLU 467 HB3 0.01 -0.19 0.15 -0.04 1.99 1.92 3koyB1 GLU 467 HG2 0.02 -0.02 -0.50 -0.04 2.34 1.80 3koyB1 GLU 467 HG3 0.02 0.01 -0.07 -0.04 2.34 2.26 3koyB1 PRO 468 HA -0.04 0.03 0.25 -0.51 4.44 4.18 3koyB1 PRO 468 HB2 -0.04 0.19 -0.08 -0.04 2.28 2.31 3koyB1 PRO 468 HB3 -0.06 0.07 0.16 -0.04 2.02 2.15 3koyB1 PRO 468 HG2 0.00 0.07 0.09 -0.04 2.03 2.15 3koyB1 PRO 468 HG3 -0.02 0.03 0.08 -0.04 2.03 2.08 3koyB1 PRO 468 HD2 0.00 0.06 0.07 -0.04 3.68 3.78 3koyB1 PRO 468 HD3 0.00 0.32 -0.36 -0.04 3.65 3.57 3koyB1 SER 469 H -0.03 0.07 -0.76 -0.55 8.46 7.20 3koyB1 SER 469 HA -0.05 0.25 0.19 -0.75 4.49 4.12 3koyB1 SER 469 HB2 -0.03 -0.11 -0.01 -0.04 3.95 3.76 3koyB1 SER 469 HB3 -0.05 -0.11 -0.02 -0.04 3.93 3.70 3koyB1 LYS 470 H -0.02 0.39 -0.01 -0.55 8.42 8.23 3koyB1 LYS 470 HA -0.02 -0.06 0.40 -0.75 4.32 3.88 3koyB1 LYS 470 HB2 -0.01 0.11 0.10 -0.04 1.87 2.02 3koyB1 LYS 470 HB3 -0.01 0.01 0.01 -0.04 1.79 1.76 3koyB1 LYS 470 HG2 -0.00 -0.01 0.06 -0.04 1.46 1.47 3koyB1 LYS 470 HG3 0.00 -0.02 0.10 -0.04 1.46 1.50 3koyB1 LYS 470 HD2 0.00 -0.00 0.03 -0.04 1.69 1.68 3koyB1 LYS 470 HD3 0.00 -0.00 0.00 -0.04 1.68 1.64 3koyB1 LYS 470 HE2 0.01 0.01 0.00 -0.04 2.99 2.97 3koyB1 LYS 470 HE3 0.01 0.00 0.01 -0.04 2.99 2.97 3koyB1 LEU 471 H -0.05 0.24 -0.42 -0.55 8.37 7.59 3koyB1 LEU 471 HA -0.06 -0.03 0.28 -0.75 4.35 3.79 3koyB1 LEU 471 HB2 -0.08 0.21 0.07 -0.04 1.64 1.79 3koyB1 LEU 471 HB3 -0.13 0.02 -0.05 -0.04 1.64 1.43 3koyB1 LEU 471 HG -0.21 -0.00 0.03 -0.04 1.64 1.42 3koyB1 LEU 471 HD13 -0.04 -0.01 -0.05 -0.04 0.93 0.79 3koyB1 LEU 471 HD23 -0.11 -0.01 -0.04 -0.04 0.89 0.69 3koyB1 ILE 472 H -0.06 0.54 -0.48 -0.55 8.25 7.70 3koyB1 ILE 472 HA -0.06 0.13 0.85 -0.75 4.18 4.34 3koyB1 ILE 472 HB -0.05 -0.03 0.15 -0.04 1.89 1.92 3koyB1 ILE 472 HG12 -0.07 0.10 -0.01 -0.04 1.49 1.47 3koyB1 ILE 472 HG13 -0.05 0.03 -0.45 -0.04 1.21 0.70 3koyB1 ILE 472 HG23 -0.09 -0.04 -0.12 -0.04 0.93 0.65 3koyB1 ILE 472 HD13 -0.06 -0.06 -0.06 -0.04 0.88 0.66 3koyB1 ASP 473 H -0.03 0.72 0.11 -0.55 8.40 8.64 3koyB1 ASP 473 HA -0.02 -0.08 0.36 -0.75 4.63 4.14 3koyB1 ASP 473 HB2 -0.02 0.24 0.05 -0.04 2.71 2.94 3koyB1 ASP 473 HB3 -0.01 -0.06 0.22 -0.04 2.70 2.81 3koyB1 GLY 474 H -0.02 0.03 -0.40 -0.55 8.43 7.49 3koyB1 GLY 474 HA2 -0.02 -0.18 0.28 -0.51 4.01 3.58 3koyB1 GLY 474 HA3 -0.01 0.14 0.42 -0.51 4.01 4.06 3koyB1 CYS 475 H -0.05 -0.05 0.14 -0.55 8.50 7.99 3koyB1 CYS 475 HA -0.05 0.31 0.74 -0.75 4.58 4.83 3koyB1 CYS 475 HB2 -0.09 -0.01 0.17 -0.04 2.97 3.00 3koyB1 CYS 475 HB3 -0.08 0.18 0.16 -0.04 2.97 3.19 3koyB1 THR 476 H -0.06 0.19 0.07 -0.55 8.28 7.94 3koyB1 THR 476 HA -0.02 0.26 0.02 -0.75 4.39 3.90 3koyB1 THR 476 HB -0.01 0.07 -0.06 -0.04 4.32 4.28 3koyB1 THR 476 HG23 -0.02 -0.01 -0.13 -0.04 1.22 1.02 3koyB1 LEU 477 H -0.15 -0.08 -0.55 -0.55 8.37 7.04 3koyB1 LEU 477 HA -0.10 0.21 0.44 -0.75 4.35 4.15 3koyB1 LEU 477 HB2 -0.43 -0.15 -0.04 -0.04 1.64 0.98 3koyB1 LEU 477 HB3 -1.15 0.12 -0.01 -0.04 1.64 0.56 3koyB1 LEU 477 HG -0.39 -0.15 -0.05 -0.04 1.64 1.01 3koyB1 LEU 477 HD13 -1.25 0.00 -0.09 -0.04 0.93 -0.44 3koyB1 LEU 477 HD23 -0.47 0.03 -0.15 -0.04 0.89 0.26 3koyB1 GLU 478 H -0.03 0.35 -0.11 -0.55 8.60 8.26 3koyB1 GLU 478 HA 0.11 0.23 0.90 -0.75 4.29 4.78 3koyB1 GLU 478 HB2 0.01 -0.10 0.13 -0.04 2.09 2.09 3koyB1 GLU 478 HB3 0.04 0.03 0.01 -0.04 1.99 2.03 3koyB1 GLU 478 HG2 0.05 -0.03 -0.00 -0.04 2.34 2.32 3koyB1 GLU 478 HG3 0.11 0.14 -0.02 -0.04 2.34 2.53 3koyB1 VAL 479 H 0.00 0.31 -0.15 -0.55 8.24 7.85 3koyB1 VAL 479 HA 0.02 0.25 0.89 -0.75 4.13 4.53 3koyB1 VAL 479 HB -0.01 0.05 -0.09 -0.04 2.12 2.03 3koyB1 VAL 479 HG13 0.00 -0.06 -0.04 -0.04 0.97 0.82 3koyB1 VAL 479 HG23 0.00 0.02 -0.18 -0.04 0.95 0.75 3koyB1 PRO 480 HA 0.02 0.07 0.40 -0.51 4.44 4.42 3koyB1 PRO 480 HB2 0.01 -0.01 -0.03 -0.04 2.28 2.20 3koyB1 PRO 480 HB3 0.01 0.09 0.06 -0.04 2.02 2.14 3koyB1 PRO 480 HG2 0.02 0.05 0.03 -0.04 2.03 2.08 3koyB1 PRO 480 HG3 0.04 0.14 0.00 -0.04 2.03 2.18 3koyB1 PRO 480 HD2 0.02 0.09 0.20 -0.04 3.68 3.95 3koyB1 PRO 480 HD3 0.04 0.24 -0.60 -0.04 3.65 3.30 3koyB1 GLU 481 H 0.01 0.09 -0.44 -0.55 8.60 7.71 3koyB1 GLU 481 HA 0.01 0.11 0.38 -0.75 4.29 4.04 3koyB1 GLU 481 HB2 0.00 0.00 -0.02 -0.04 2.09 2.04 3koyB1 GLU 481 HB3 0.00 -0.01 0.05 -0.04 1.99 1.99 3koyB1 GLU 481 HG2 0.00 -0.01 0.00 -0.04 2.34 2.29 3koyB1 GLU 481 HG3 0.00 0.04 -0.01 -0.04 2.34 2.33 3koyB1 LYS 482 H 0.00 0.59 -0.33 -0.55 8.42 8.12 3koyB1 LYS 482 HA 0.00 0.07 0.50 -0.75 4.32 4.14 3koyB1 LYS 482 HB2 -0.01 0.19 0.05 -0.04 1.87 2.06 3koyB1 LYS 482 HB3 -0.01 -0.12 0.07 -0.04 1.79 1.69 3koyB1 LYS 482 HG2 -0.01 -0.04 0.01 -0.04 1.46 1.38 3koyB1 LYS 482 HG3 -0.01 -0.03 -0.04 -0.04 1.46 1.34 3koyB1 LYS 482 HD2 -0.02 -0.05 -0.07 -0.04 1.69 1.51 3koyB1 LYS 482 HD3 -0.02 -0.10 0.02 -0.04 1.68 1.54 3koyB1 LYS 482 HE2 -0.01 -0.13 0.02 -0.04 2.99 2.83 3koyB1 LYS 482 HE3 -0.01 0.06 0.03 -0.04 2.99 3.03 3koyB1 ILE 483 H 0.02 0.49 -0.33 -0.55 8.25 7.87 3koyB1 ILE 483 HA 0.02 -0.02 0.59 -0.75 4.18 4.01 3koyB1 ILE 483 HB 0.05 0.19 0.08 -0.04 1.89 2.17 3koyB1 ILE 483 HG12 0.02 -0.12 -0.03 -0.04 1.49 1.32 3koyB1 ILE 483 HG13 0.02 -0.02 0.04 -0.04 1.21 1.21 3koyB1 ILE 483 HG23 0.07 -0.05 -0.23 -0.04 0.93 0.68 3koyB1 ILE 483 HD13 0.04 0.03 0.01 -0.04 0.88 0.92 3koyB1 VAL 484 H 0.03 0.09 0.10 -0.55 8.24 7.91 3koyB1 VAL 484 HA 0.06 0.22 0.76 -0.75 4.13 4.42 3koyB1 VAL 484 HB 0.01 -0.09 0.17 -0.04 2.12 2.17 3koyB1 VAL 484 HG13 0.02 0.01 -0.11 -0.04 0.97 0.84 3koyB1 VAL 484 HG23 0.01 0.02 -0.01 -0.04 0.95 0.94 3koyB1 TYR 485 H 0.18 0.30 0.05 -0.55 8.29 8.27 3koyB1 TYR 485 HA 0.02 0.03 0.52 -0.75 4.56 4.38 3koyB1 TYR 485 HB2 0.03 0.17 0.08 -0.04 3.06 3.29 3koyB1 TYR 485 HB3 0.02 -0.04 0.12 -0.04 2.98 3.03 3koyB1 TYR 485 HD2 0.03 0.01 -0.19 -0.04 7.15 6.96 3koyB1 TYR 485 HE2 0.03 0.01 -0.15 -0.04 6.85 6.70 3koyB1 ILE 486 H -0.29 0.17 0.21 -0.55 8.25 7.79 3koyB1 ILE 486 HA -0.05 0.20 0.95 -0.75 4.18 4.52 3koyB1 ILE 486 HB -0.13 -0.07 0.09 -0.04 1.89 1.73 3koyB1 ILE 486 HG12 -0.04 0.09 -0.30 -0.04 1.49 1.21 3koyB1 ILE 486 HG13 -0.05 0.02 -0.03 -0.04 1.21 1.11 3koyB1 ILE 486 HG23 -0.05 -0.02 -0.20 -0.04 0.93 0.62 3koyB1 ILE 486 HD13 -0.02 -0.00 -0.03 -0.04 0.88 0.79 3koyB1 ASP 487 H 0.00 0.17 0.07 -0.55 8.40 8.10 3koyB1 ASP 487 HA -0.07 0.15 0.57 -0.75 4.63 4.53 3koyB1 ASP 487 HB2 0.24 0.07 0.02 -0.04 2.71 3.00 3koyB1 ASP 487 HB3 0.08 -0.01 0.11 -0.04 2.70 2.84 3koyB1 GLU 488 H 0.00 0.27 0.14 -0.55 8.60 8.46 3koyB1 GLU 488 HA -0.01 0.10 0.62 -0.75 4.29 4.25 3koyB1 GLU 488 HB2 0.02 0.04 -0.07 -0.04 2.09 2.03 3koyB1 GLU 488 HB3 0.01 -0.10 0.08 -0.04 1.99 1.94 3koyB1 GLU 488 HG2 0.04 0.02 -0.61 -0.04 2.34 1.75 3koyB1 GLU 488 HG3 0.03 -0.01 -0.08 -0.04 2.34 2.24 3koyB1 LEU 489 H -0.00 0.09 0.16 -0.55 8.37 8.07 3koyB1 LEU 489 HA -0.00 0.19 0.60 -0.75 4.35 4.38 3koyB1 LEU 489 HB2 -0.01 0.03 0.03 -0.04 1.64 1.66 3koyB1 LEU 489 HB3 -0.01 0.03 0.19 -0.04 1.64 1.82 3koyB1 LEU 489 HG -0.02 -0.10 -0.46 -0.04 1.64 1.02 3koyB1 LEU 489 HD13 -0.02 0.01 -0.04 -0.04 0.93 0.85 3koyB1 LEU 489 HD23 -0.01 0.16 -0.01 -0.04 0.89 0.99 3koyB1 ASP 490 H 0.01 0.12 0.10 -0.55 8.40 8.08 3koyB1 ASP 490 HA 0.00 0.21 0.78 -0.75 4.63 4.87 3koyB1 ASP 490 HB2 0.01 0.07 -0.05 -0.04 2.71 2.69 3koyB1 ASP 490 HB3 0.01 0.01 0.21 -0.04 2.70 2.89 3koyB1 GLU 491 H 0.01 0.26 0.08 -0.55 8.60 8.40 3koyB1 GLU 491 HA 0.01 0.10 0.32 -0.75 4.29 3.96 3koyB1 ASN 492 H 0.01 -0.11 -0.46 -0.55 8.53 7.41 3koyB1 ASN 492 HA 0.00 0.25 0.92 -0.75 4.76 5.18 3koyB1 ASN 492 HB2 0.01 -0.00 -0.06 -0.04 2.88 2.79 3koyB1 ASN 492 HB3 0.00 0.05 0.08 -0.04 2.79 2.89 3koyB1 ASN 492 HD21 0.01 0.01 -0.14 -0.04 7.03 6.86 3koyB1 ASN 492 HD22 0.00 0.10 -0.06 -0.04 7.74 7.74 3koyB1 ASP 493 H 0.01 0.01 -0.20 -0.55 8.40 7.68 3koyB1 ASP 493 HA 0.00 0.24 0.98 -0.75 4.63 5.09 3koyB1 ASP 493 HB2 0.01 0.02 -0.00 -0.04 2.71 2.70 3koyB1 ASP 493 HB3 0.01 -0.02 0.26 -0.04 2.70 2.91 3koyB1 ASN 494 H 0.00 0.30 0.02 -0.55 8.53 8.30 3koyB1 ASN 494 HA 0.04 0.44 0.25 -0.75 4.76 4.74 3koyB1 ASN 494 HB2 0.04 -0.15 0.21 -0.04 2.88 2.94 3koyB1 ASN 494 HB3 0.02 0.19 0.06 -0.04 2.79 3.02 3koyB1 ASN 494 HD21 0.01 0.13 -0.35 -0.04 7.03 6.77 3koyB1 ASN 494 HD22 0.01 0.16 -0.50 -0.04 7.74 7.37 3koyB1 VAL 495 H 0.08 0.19 0.18 -0.55 8.24 8.14 3koyB1 VAL 495 HA 0.03 0.10 0.42 -0.75 4.13 3.93 3koyB1 VAL 495 HB 0.36 0.05 0.12 -0.04 2.12 2.61 3koyB1 VAL 495 HG13 0.15 0.03 -0.02 -0.04 0.97 1.09 3koyB1 VAL 495 HG23 0.00 0.00 -0.02 -0.04 0.95 0.89 3koyB1 ASN 496 H 0.04 0.08 -0.06 -0.55 8.53 8.05 3koyB1 ASN 496 HA 0.02 0.12 0.38 -0.75 4.76 4.52 3koyB1 ASN 496 HB2 0.02 -0.01 0.02 -0.04 2.88 2.87 3koyB1 ASN 496 HB3 0.02 0.09 0.01 -0.04 2.79 2.87 3koyB1 ASN 496 HD21 0.05 0.06 -0.01 -0.04 7.03 7.09 3koyB1 ASN 496 HD22 0.03 0.00 -0.01 -0.04 7.74 7.72 3koyB1 VAL 497 H 0.01 0.03 -0.31 -0.55 8.24 7.42 3koyB1 VAL 497 HA -0.00 0.11 0.34 -0.75 4.13 3.82 3koyB1 VAL 497 HB -0.01 -0.05 0.02 -0.04 2.12 2.05 3koyB1 VAL 497 HG13 -0.01 0.05 -0.12 -0.04 0.97 0.84 3koyB1 VAL 497 HG23 0.00 -0.03 -0.08 -0.04 0.95 0.81 3koyB1 ARG 498 H -0.02 0.30 -0.16 -0.55 8.46 8.02 3koyB1 ARG 498 HA -0.06 0.06 0.32 -0.75 4.34 3.91 3koyB1 ARG 498 HB2 -0.07 0.23 0.21 -0.04 1.90 2.23 3koyB1 ARG 498 HB3 -0.10 0.01 0.04 -0.04 1.80 1.71 3koyB1 ARG 498 HG2 -0.21 0.01 -0.01 -0.04 1.67 1.42 3koyB1 ARG 498 HG3 -0.16 0.02 0.05 -0.04 1.67 1.54 3koyB1 ARG 498 HD2 -0.23 -0.08 -0.03 -0.04 3.22 2.83 3koyB1 ARG 498 HD3 -0.40 -0.03 -0.02 -0.04 3.22 2.73 3koyB1 MET 499 H -0.03 0.49 -0.31 -0.55 8.47 8.07 3koyB1 MET 499 HA -0.05 0.00 0.33 -0.75 4.52 4.04 3koyB1 MET 499 HB2 -0.01 0.10 0.17 -0.04 2.15 2.36 3koyB1 MET 499 HB3 -0.02 -0.03 -0.09 -0.04 2.03 1.84 3koyB1 MET 499 HG2 -0.07 -0.07 0.03 -0.04 2.63 2.48 3koyB1 MET 499 HG3 -0.02 -0.06 -0.11 -0.04 2.56 2.33 3koyB1 MET 499 HE3 -0.04 -0.03 -0.17 -0.04 2.10 1.83 3koyB1 GLU 500 H -0.01 0.47 0.01 -0.55 8.60 8.53 3koyB1 GLU 500 HA 0.01 -0.01 0.47 -0.75 4.29 4.01 3koyB1 GLU 500 HB2 0.00 0.13 0.20 -0.04 2.09 2.38 3koyB1 GLU 500 HB3 0.00 0.06 0.03 -0.04 1.99 2.05 3koyB1 GLU 500 HG2 0.00 -0.03 0.09 -0.04 2.34 2.36 3koyB1 GLU 500 HG3 0.00 -0.01 0.04 -0.04 2.34 2.33 3koyB1 GLU 501 H -0.01 0.36 -0.48 -0.55 8.60 7.93 3koyB1 GLU 501 HA 0.02 -0.00 0.27 -0.75 4.29 3.82 3koyB1 GLU 501 HB2 -0.01 0.11 0.11 -0.04 2.09 2.25 3koyB1 GLU 501 HB3 -0.01 0.02 -0.01 -0.04 1.99 1.95 3koyB1 GLU 501 HG2 0.01 -0.02 0.09 -0.04 2.34 2.38 3koyB1 GLU 501 HG3 -0.00 -0.03 0.02 -0.04 2.34 2.29 3koyB1 THR 502 H 0.02 0.54 -0.56 -0.55 8.28 7.73 3koyB1 THR 502 HA 0.16 0.16 0.83 -0.75 4.39 4.78 3koyB1 THR 502 HB 0.07 -0.06 0.12 -0.04 4.32 4.41 3koyB1 THR 502 HG23 -0.00 0.04 -0.19 -0.04 1.22 1.02 3koyB1 LYS 503 H 0.04 0.63 0.07 -0.55 8.42 8.61 3koyB1 LYS 503 HA 0.04 0.01 0.61 -0.75 4.32 4.22 3koyB1 GLU 504 H 0.08 0.10 -0.39 -0.55 8.60 7.85 3koyB1 GLU 504 HA -0.07 0.09 0.37 -0.75 4.29 3.93 3koyB1 PHE 505 H 0.23 0.28 -0.51 -0.55 8.34 7.79 3koyB1 PHE 505 HA -0.01 0.18 0.59 -0.75 4.62 4.63 3koyB1 PHE 505 HB2 -0.01 0.05 -0.03 -0.04 3.15 3.12 3koyB1 PHE 505 HB3 -0.01 -0.03 0.01 -0.04 3.06 2.99 3koyB1 PHE 505 HD2 -0.00 -0.04 -0.19 -0.04 7.28 7.01 3koyB1 PHE 505 HE2 0.00 0.01 -0.13 -0.04 7.38 7.22 3koyB1 PHE 505 HZ 0.01 0.02 -0.11 -0.04 7.32 7.20 3koyB1 ARG 506 H 0.06 0.24 -0.34 -0.55 8.46 7.87 3koyB1 ARG 506 HA 0.04 0.20 0.61 -0.75 4.34 4.44 3koyB1 ARG 506 HB2 0.05 0.01 -0.03 -0.04 1.90 1.89 3koyB1 ARG 506 HB3 0.03 0.03 0.14 -0.04 1.80 1.96 3koyB1 ARG 506 HG2 0.00 0.01 0.07 -0.04 1.67 1.71 3koyB1 ARG 506 HG3 0.01 0.04 0.06 -0.04 1.67 1.74 3koyB1 ARG 506 HD2 -0.01 -0.14 0.05 -0.04 3.22 3.08 3koyB1 ARG 506 HD3 -0.00 -0.01 0.00 -0.04 3.22 3.17 3koyB1 SER 509 HA -0.01 0.02 0.29 -0.75 4.49 4.03 3koyB1 SER 509 HB2 -0.01 -0.10 0.20 -0.04 3.95 4.00 3koyB1 SER 509 HB3 -0.02 0.03 0.11 -0.04 3.93 4.01 3koyB1 MET 510 H -0.08 0.25 0.11 -0.55 8.47 8.22 3koyB1 MET 510 HA -0.01 0.20 0.97 -0.75 4.52 4.92 3koyB1 MET 510 HB2 -0.36 0.11 0.06 -0.04 2.15 1.91 3koyB1 MET 510 HB3 -0.17 -0.11 0.11 -0.04 2.03 1.82 3koyB1 MET 510 HG2 -0.14 0.04 0.05 -0.04 2.63 2.53 3koyB1 MET 510 HG3 -0.25 -0.03 0.00 -0.04 2.56 2.25 3koyB1 MET 510 HE3 -0.03 -0.03 -0.16 -0.04 2.10 1.84 3koyB1 ILE 511 H 0.14 0.23 0.32 -0.55 8.25 8.39 3koyB1 ILE 511 HA 0.21 0.08 0.67 -0.75 4.18 4.39 3koyB1 ILE 511 HB 0.06 0.15 -0.32 -0.04 1.89 1.74 3koyB1 ILE 511 HG12 0.03 0.00 -0.06 -0.04 1.49 1.42 3koyB1 ILE 511 HG13 0.04 0.01 0.12 -0.04 1.21 1.34 3koyB1 ILE 511 HG23 0.05 0.01 -0.12 -0.04 0.93 0.84 3koyB1 ILE 511 HD13 0.01 -0.01 -0.05 -0.04 0.88 0.79 3koyB1 LYS 512 H 0.04 0.17 0.20 -0.55 8.42 8.28 3koyB1 LYS 512 HA 0.03 0.15 0.28 -0.75 4.32 4.02 3koyB1 LYS 512 HB2 -0.07 0.11 0.28 -0.04 1.87 2.16 3koyB1 LYS 512 HB3 0.10 0.06 0.19 -0.04 1.79 2.11 3koyB1 LYS 512 HG2 -0.34 -0.14 -0.01 -0.04 1.46 0.92 3koyB1 LYS 512 HG3 -0.21 -0.05 -0.07 -0.04 1.46 1.08 3koyB1 LYS 512 HD2 0.07 -0.04 -0.11 -0.04 1.69 1.57 3koyB1 LYS 512 HD3 -0.39 0.05 -0.02 -0.04 1.68 1.28 3koyB1 LYS 512 HE2 -0.16 -0.07 -0.02 -0.04 2.99 2.70 3koyB1 LYS 512 HE3 -0.13 0.07 0.10 -0.04 2.99 2.99 3koyB1 PRO 513 HA -0.08 0.04 0.52 -0.51 4.44 4.41 3koyB1 PRO 513 HB2 -0.15 -0.02 -0.24 -0.04 2.28 1.83 3koyB1 PRO 513 HB3 -0.12 0.08 0.03 -0.04 2.02 1.97 3koyB1 PRO 513 HG2 -0.12 0.07 0.02 -0.04 2.03 1.97 3koyB1 PRO 513 HG3 -0.06 0.04 0.04 -0.04 2.03 2.01 3koyB1 PRO 513 HD2 -0.12 0.17 0.24 -0.04 3.68 3.92 3koyB1 PRO 513 HD3 -0.05 0.17 0.20 -0.04 3.65 3.93 3koyB1 GLU 514 H -0.10 0.25 0.29 -0.55 8.60 8.50 3koyB1 GLU 514 HA -0.19 -0.02 0.67 -0.75 4.29 3.99 3koyB1 GLU 514 HB2 -0.05 -0.04 0.14 -0.04 2.09 2.11 3koyB1 GLU 514 HB3 -0.08 -0.03 0.07 -0.04 1.99 1.91 3koyB1 GLU 514 HG2 -0.01 0.09 0.02 -0.04 2.34 2.40 3koyB1 GLU 514 HG3 0.17 -0.04 -0.30 -0.04 2.34 2.13 3koyB1 VAL 515 H -0.34 -0.05 0.23 -0.55 8.24 7.53 3koyB1 VAL 515 HA -0.42 0.20 0.90 -0.75 4.13 4.05 3koyB1 VAL 515 HB -2.03 -0.04 0.10 -0.04 2.12 0.11 3koyB1 VAL 515 HG13 -1.59 0.04 -0.20 -0.04 0.97 -0.82 3koyB1 VAL 515 HG23 -0.74 0.01 -0.06 -0.04 0.95 0.13 3koyB1 GLU 516 H -0.28 -0.11 0.21 -0.55 8.60 7.88 3koyB1 GLU 516 HA -0.70 0.12 0.58 -0.75 4.29 3.53 3koyB1 GLU 516 HB2 -0.21 -0.04 0.00 -0.04 2.09 1.81 3koyB1 GLU 516 HB3 -0.29 0.24 -0.08 -0.04 1.99 1.83 3koyB1 GLU 516 HG2 -0.54 -0.08 -0.07 -0.04 2.34 1.61 3koyB1 GLU 516 HG3 -1.10 -0.04 -0.00 -0.04 2.34 1.16 3koyB1 TRP 517 H -0.09 0.06 0.21 -0.55 7.97 7.61 3koyB1 TRP 517 HA -0.02 0.14 0.92 -0.75 4.62 4.90 3koyB1 TRP 517 HB2 -0.08 0.02 0.08 -0.04 3.23 3.22 3koyB1 TRP 517 HB3 -0.06 0.12 0.01 -0.04 3.23 3.26 3koyB1 TRP 517 HD1 -0.02 0.13 -0.39 -0.04 7.22 6.90 3koyB1 TRP 517 HE1 0.01 -0.19 -0.21 -0.04 10.20 9.77 3koyB1 TRP 517 HE3 -0.04 0.07 -0.01 -0.04 7.59 7.57 3koyB1 TRP 517 HZ2 0.02 0.18 0.07 -0.04 7.44 7.67 3koyB1 TRP 517 HZ3 -0.01 0.05 0.00 -0.04 7.13 7.13 3koyB1 TRP 517 HH2 0.01 0.04 0.02 -0.04 7.19 7.21 3koyB1 GLN 518 H 0.10 0.11 0.12 -0.55 8.47 8.24 3koyB1 GLN 518 HA -0.01 -0.01 0.33 -0.75 4.36 3.92 3koyB1 GLN 518 HB2 -0.01 -0.07 0.15 -0.04 2.15 2.17 3koyB1 GLN 518 HB3 -0.04 0.07 0.07 -0.04 2.02 2.08 3koyB1 GLN 518 HG2 -0.06 0.08 -0.11 -0.04 2.40 2.27 3koyB1 GLN 518 HG3 -0.02 -0.01 0.03 -0.04 2.39 2.35 3koyB1 GLN 518 HE21 0.00 -0.04 -0.03 -0.04 6.97 6.86 3koyB1 GLN 518 HE22 -0.00 0.02 -0.02 -0.04 7.69 7.65 3koyB1 ALA 519 H -0.13 0.10 0.17 -0.55 8.40 7.99 3koyB1 ALA 519 HA -0.26 0.08 0.27 -0.75 4.34 3.68 3koyB1 ALA 519 HB3 -0.81 0.05 -0.01 -0.04 1.41 0.61 3koyB1 ASP 520 H -0.09 0.25 0.01 -0.55 8.40 8.03 3koyB1 ASP 520 HA -0.04 0.18 0.63 -0.75 4.63 4.65 3koyB1 ASP 520 HB2 -0.09 0.04 0.16 -0.04 2.71 2.78 3koyB1 ASP 520 HB3 0.06 -0.01 0.12 -0.04 2.70 2.83 3koyB1 GLY 521 H -0.17 0.28 0.01 -0.55 8.43 8.01 3koyB1 GLY 521 HA2 -0.17 0.10 0.34 -0.51 4.01 3.78 3koyB1 GLY 521 HA3 -0.15 0.16 0.32 -0.51 4.01 3.83 3koyB1 THR 522 H -0.25 -0.14 -0.24 -0.55 8.28 7.10 3koyB1 THR 522 HA -0.19 0.45 0.67 -0.75 4.39 4.57 3koyB1 THR 522 HB -0.52 -0.23 -0.04 -0.04 4.32 3.49 3koyB1 THR 522 HG23 -0.35 0.00 -0.09 -0.04 1.22 0.74 3koyB1 VAL 523 H -0.13 0.72 0.45 -0.55 8.24 8.73 3koyB1 VAL 523 HA -0.18 0.12 0.65 -0.75 4.13 3.96 3koyB1 VAL 523 HB -0.02 -0.03 0.09 -0.04 2.12 2.11 3koyB1 VAL 523 HG13 -0.10 0.02 -0.22 -0.04 0.97 0.63 3koyB1 VAL 523 HG23 -0.03 0.02 -0.21 -0.04 0.95 0.69 3koyB1 LEU 524 H 0.09 0.19 0.14 -0.55 8.37 8.24 3koyB1 LEU 524 HA 0.24 0.27 1.08 -0.75 4.35 5.19 3koyB1 LEU 524 HB2 0.71 -0.03 -0.03 -0.04 1.64 2.25 3koyB1 LEU 524 HB3 0.32 -0.03 0.14 -0.04 1.64 2.03 3koyB1 LEU 524 HG 0.13 0.05 -0.53 -0.04 1.64 1.26 3koyB1 LEU 524 HD13 0.08 0.02 -0.13 -0.04 0.93 0.85 3koyB1 LEU 524 HD23 0.16 -0.02 -0.08 -0.04 0.89 0.91 3koyB1 LEU 525 H 0.09 0.77 0.35 -0.55 8.37 9.04 3koyB1 LEU 525 HA 0.05 0.16 0.94 -0.75 4.35 4.75 3koyB1 LEU 525 HB2 0.05 0.04 -0.10 -0.04 1.64 1.59 3koyB1 LEU 525 HB3 0.05 0.01 0.07 -0.04 1.64 1.73 3koyB1 LEU 525 HG 0.03 -0.04 -0.25 -0.04 1.64 1.34 3koyB1 LEU 525 HD13 0.03 0.02 -0.04 -0.04 0.93 0.90 3koyB1 LEU 525 HD23 0.05 -0.00 -0.14 -0.04 0.89 0.76 3koyB1 THR 526 H 0.04 0.25 0.12 -0.55 8.28 8.14 3koyB1 THR 526 HA 0.03 0.26 1.11 -0.75 4.39 5.04 3koyB1 THR 526 HB 0.04 0.00 0.15 -0.04 4.32 4.47 3koyB1 THR 526 HG23 0.03 -0.01 -0.10 -0.04 1.22 1.10 3koyB1 MET 527 H 0.02 0.61 0.38 -0.55 8.47 8.94 3koyB1 MET 527 HA 0.03 0.20 1.00 -0.75 4.52 4.99 3koyB1 MET 527 HB2 -0.07 0.03 0.07 -0.04 2.15 2.13 3koyB1 MET 527 HB3 -0.04 0.01 -0.17 -0.04 2.03 1.79 3koyB1 MET 527 HG2 -0.02 0.04 0.01 -0.04 2.63 2.62 3koyB1 MET 527 HG3 -0.06 -0.04 -0.30 -0.04 2.56 2.11 3koyB1 MET 527 HE3 -0.00 0.02 -0.15 -0.04 2.10 1.93 3koyB1 PHE 528 H 0.12 0.24 0.19 -0.55 8.34 8.33 3koyB1 PHE 528 HA -0.02 0.23 0.92 -0.75 4.62 4.99 3koyB1 PHE 528 HB2 -0.02 -0.00 -0.01 -0.04 3.15 3.07 3koyB1 PHE 528 HB3 -0.03 -0.00 0.12 -0.04 3.06 3.10 3koyB1 PHE 528 HD2 -0.02 -0.02 -0.20 -0.04 7.28 7.00 3koyB1 PHE 528 HE2 -0.01 -0.02 -0.23 -0.04 7.38 7.07 3koyB1 PHE 528 HZ -0.00 0.19 -0.13 -0.04 7.32 7.34 3koyB1 LEU 529 H -0.45 0.52 0.25 -0.55 8.37 8.14 3koyB1 LEU 529 HA -0.36 0.26 0.92 -0.75 4.35 4.42 3koyB1 LEU 529 HB2 -0.17 -0.03 0.11 -0.04 1.64 1.51 3koyB1 LEU 529 HB3 -0.12 0.01 0.02 -0.04 1.64 1.51 3koyB1 LEU 529 HG -0.16 -0.08 -0.39 -0.04 1.64 0.96 3koyB1 LEU 529 HD13 0.03 -0.00 -0.08 -0.04 0.93 0.84 3koyB1 LEU 529 HD23 -0.25 0.04 -0.01 -0.04 0.89 0.63 3koyB1 PRO 530 HA -0.26 0.23 0.54 -0.51 4.44 4.43 3koyB1 PRO 530 HB2 -0.02 -0.02 0.23 -0.04 2.28 2.43 3koyB1 PRO 530 HB3 0.05 0.09 0.19 -0.04 2.02 2.31 3koyB1 PRO 530 HG2 -0.00 0.02 0.09 -0.04 2.03 2.10 3koyB1 PRO 530 HG3 0.04 0.05 0.07 -0.04 2.03 2.15 3koyB1 PRO 530 HD2 -0.10 0.09 0.10 -0.04 3.68 3.73 3koyB1 PRO 530 HD3 -0.21 0.21 0.27 -0.04 3.65 3.87 3koyB1 THR 531 H -0.17 0.28 -0.35 -0.55 8.28 7.49 3koyB1 THR 531 HA -0.03 0.26 0.81 -0.75 4.39 4.68 3koyB1 THR 531 HB -0.02 0.03 -0.24 -0.04 4.32 4.05 3koyB1 THR 531 HG23 -0.02 0.09 -0.38 -0.04 1.22 0.87 3koyB1 SER 532 H -0.00 0.03 0.10 -0.55 8.46 8.05 3koyB1 SER 532 HA 0.00 0.38 0.52 -0.75 4.49 4.64 3koyB1 SER 532 HB2 0.01 0.06 0.16 -0.04 3.95 4.14 3koyB1 SER 532 HB3 0.01 0.07 0.17 -0.04 3.93 4.14 3koyB1 LYS 533 H 0.01 0.16 0.15 -0.55 8.42 8.18 3koyB1 LYS 533 HA -0.01 0.16 0.32 -0.75 4.32 4.04 3koyB1 LYS 533 HB2 0.01 0.05 0.03 -0.04 1.87 1.92 3koyB1 LYS 533 HB3 0.01 -0.03 0.15 -0.04 1.79 1.88 3koyB1 LYS 533 HG2 0.02 -0.04 -0.28 -0.04 1.46 1.12 3koyB1 LYS 533 HG3 0.00 0.01 -0.18 -0.04 1.46 1.25 3koyB1 LYS 533 HD2 0.00 0.05 -0.06 -0.04 1.69 1.64 3koyB1 LYS 533 HD3 0.01 -0.01 -0.01 -0.04 1.68 1.63 3koyB1 LYS 533 HE2 0.01 -0.01 -0.04 -0.04 2.99 2.91 3koyB1 LYS 533 HE3 0.00 -0.02 -0.08 -0.04 2.99 2.86 3koyB1 ARG 534 H 0.04 0.08 -0.09 -0.55 8.46 7.94 3koyB1 ARG 534 HA 0.08 0.16 0.45 -0.75 4.34 4.28 3koyB1 ARG 534 HB2 0.07 0.03 0.09 -0.04 1.90 2.04 3koyB1 ARG 534 HB3 0.08 -0.01 0.06 -0.04 1.80 1.89 3koyB1 ARG 534 HG2 0.33 -0.02 -0.07 -0.04 1.67 1.88 3koyB1 ARG 534 HG3 0.18 0.05 0.02 -0.04 1.67 1.88 3koyB1 ARG 534 HD2 0.07 0.01 0.00 -0.04 3.22 3.27 3koyB1 ARG 534 HD3 0.06 -0.00 -0.03 -0.04 3.22 3.20 3koyB1 VAL 535 H 0.06 0.06 -0.12 -0.55 8.24 7.70 3koyB1 VAL 535 HA 0.11 0.08 0.37 -0.75 4.13 3.94 3koyB1 VAL 535 HB 0.03 0.02 -0.03 -0.04 2.12 2.09 3koyB1 VAL 535 HG13 0.03 0.02 0.06 -0.04 0.97 1.04 3koyB1 VAL 535 HG23 0.02 -0.01 0.05 -0.04 0.95 0.98 3koyB1 ALA 536 H 0.04 0.18 -0.98 -0.55 8.40 7.09 3koyB1 ALA 536 HA 0.03 0.07 0.57 -0.75 4.34 4.26 3koyB1 ALA 536 HB3 -0.04 0.06 -0.05 -0.04 1.41 1.34 3koyB1 GLU 537 H 0.02 0.33 -0.01 -0.55 8.60 8.40 3koyB1 GLU 537 HA -0.07 0.04 0.47 -0.75 4.29 3.98 3koyB1 GLU 537 HB2 -0.06 0.08 0.19 -0.04 2.09 2.25 3koyB1 GLU 537 HB3 -0.07 0.13 0.25 -0.04 1.99 2.25 3koyB1 GLU 537 HG2 -0.58 -0.01 -0.16 -0.04 2.34 1.55 3koyB1 GLU 537 HG3 -0.20 -0.03 0.04 -0.04 2.34 2.10 3koyB1 PHE 538 H 0.22 0.38 -0.19 -0.55 8.34 8.19 3koyB1 PHE 538 HA 0.01 0.12 0.49 -0.75 4.62 4.49 3koyB1 PHE 538 HB2 0.00 0.03 0.03 -0.04 3.15 3.17 3koyB1 PHE 538 HB3 -0.00 0.02 0.00 -0.04 3.06 3.03 3koyB1 PHE 538 HD2 0.00 0.06 -0.01 -0.04 7.28 7.30 3koyB1 PHE 538 HE2 0.00 -0.00 -0.02 -0.04 7.38 7.32 3koyB1 PHE 538 HZ 0.00 0.02 -0.02 -0.04 7.32 7.28 3koyB1 ALA 539 H 0.14 0.25 -0.32 -0.55 8.40 7.92 3koyB1 ALA 539 HA 0.05 0.05 0.55 -0.75 4.34 4.24 3koyB1 ALA 539 HB3 0.16 0.04 0.11 -0.04 1.41 1.68 3koyB1 ALA 540 H 0.09 0.46 -0.39 -0.55 8.40 8.02 3koyB1 ALA 540 HA 0.22 0.01 0.29 -0.75 4.34 4.11 3koyB1 ALA 540 HB3 0.02 0.05 0.02 -0.04 1.41 1.47 3koyB1 ILE 541 H 0.03 0.30 -0.35 -0.55 8.25 7.68 3koyB1 ILE 541 HA 0.03 0.04 0.39 -0.75 4.18 3.88 3koyB1 ILE 541 HB 0.05 0.20 0.12 -0.04 1.89 2.23 3koyB1 ILE 541 HG12 -0.11 0.31 0.15 -0.04 1.49 1.80 3koyB1 ILE 541 HG13 -0.13 -0.04 0.02 -0.04 1.21 1.02 3koyB1 ILE 541 HG23 0.03 -0.01 -0.11 -0.04 0.93 0.79 3koyB1 ILE 541 HD13 -0.06 -0.02 -0.09 -0.04 0.88 0.67 3koyB1 GLU 542 H 0.04 0.38 -0.21 -0.55 8.60 8.26 3koyB1 GLU 542 HA -0.01 0.02 0.45 -0.75 4.29 3.99 3koyB1 GLU 542 HB2 -0.15 0.09 0.20 -0.04 2.09 2.20 3koyB1 GLU 542 HB3 -0.18 -0.01 -0.00 -0.04 1.99 1.76 3koyB1 GLU 542 HG2 0.01 0.12 0.08 -0.04 2.34 2.51 3koyB1 GLU 542 HG3 -0.06 -0.02 0.03 -0.04 2.34 2.25 3koyB1 PHE 543 H 0.02 0.61 -0.03 -0.55 8.34 8.38 3koyB1 PHE 543 HA 0.02 0.02 0.45 -0.75 4.62 4.35 3koyB1 PHE 543 HB2 0.01 0.10 0.04 -0.04 3.15 3.26 3koyB1 PHE 543 HB3 0.02 -0.01 -0.05 -0.04 3.06 2.97 3koyB1 PHE 543 HD2 0.01 0.07 -0.11 -0.04 7.28 7.21 3koyB1 PHE 543 HE2 0.01 -0.03 -0.04 -0.04 7.38 7.27 3koyB1 PHE 543 HZ 0.01 -0.02 -0.01 -0.04 7.32 7.25 3koyB1 ALA 544 H 0.13 0.28 -0.69 -0.55 8.40 7.56 3koyB1 ALA 544 HA 0.09 0.04 0.35 -0.75 4.34 4.07 3koyB1 ALA 544 HB3 0.05 0.04 0.03 -0.04 1.41 1.50 3koyB1 LYS 545 H 0.04 0.61 0.09 -0.55 8.42 8.61 3koyB1 LYS 545 HA 0.03 0.08 0.55 -0.75 4.32 4.23 3koyB1 LYS 545 HB2 0.01 0.05 0.16 -0.04 1.87 2.05 3koyB1 LYS 545 HB3 0.02 -0.02 0.10 -0.04 1.79 1.84 3koyB1 LYS 545 HG2 0.02 -0.04 0.05 -0.04 1.46 1.45 3koyB1 LYS 545 HG3 0.02 0.17 0.02 -0.04 1.46 1.63 3koyB1 LYS 545 HD2 0.02 -0.01 0.02 -0.04 1.69 1.67 3koyB1 LYS 545 HD3 0.02 0.00 0.05 -0.04 1.68 1.71 3koyB1 LYS 545 HE2 0.03 -0.02 0.01 -0.04 2.99 2.96 3koyB1 LYS 545 HE3 0.03 -0.01 -0.02 -0.04 2.99 2.95 3koyB1 LYS 546 H 0.03 0.61 -0.21 -0.55 8.42 8.30 3koyB1 LYS 546 HA 0.03 0.01 0.35 -0.75 4.32 3.94 3koyB1 LYS 546 HB2 0.03 0.08 0.12 -0.04 1.87 2.06 3koyB1 LYS 546 HB3 0.04 -0.04 0.07 -0.04 1.79 1.82 3koyB1 LYS 546 HG2 -0.01 -0.03 0.04 -0.04 1.46 1.42 3koyB1 LYS 546 HG3 -0.04 0.06 0.03 -0.04 1.46 1.46 3koyB1 LYS 546 HD2 -0.15 -0.03 -0.07 -0.04 1.69 1.40 3koyB1 LYS 546 HD3 -0.03 -0.01 0.00 -0.04 1.68 1.61 3koyB1 LYS 546 HE2 -0.04 -0.00 -0.00 -0.04 2.99 2.91 3koyB1 LYS 546 HE3 -0.07 -0.01 -0.02 -0.04 2.99 2.84 3koyB1 MET 547 H 0.07 0.27 -0.85 -0.55 8.47 7.41 3koyB1 MET 547 HA 0.07 0.10 0.73 -0.75 4.52 4.67 3koyB1 MET 547 HB2 0.07 0.10 0.04 -0.04 2.15 2.32 3koyB1 MET 547 HB3 0.07 -0.06 0.13 -0.04 2.03 2.13 3koyB1 MET 547 HG2 0.09 -0.06 -0.04 -0.04 2.63 2.57 3koyB1 MET 547 HG3 0.11 0.43 0.05 -0.04 2.56 3.12 3koyB1 MET 547 HE3 0.07 -0.03 -0.12 -0.04 2.10 1.99 3koyB1 ASN 548 H 0.06 0.51 -0.32 -0.55 8.53 8.23 3koyB1 ASN 548 HA 0.06 0.03 0.36 -0.75 4.76 4.46 3koyB1 ASN 548 HB2 0.20 0.18 0.12 -0.04 2.88 3.33 3koyB1 ASN 548 HB3 0.17 -0.07 0.21 -0.04 2.79 3.06 3koyB1 ASN 548 HD21 0.05 -0.05 -0.05 -0.04 7.03 6.94 3koyB1 ASN 548 HD22 0.14 0.01 -0.07 -0.04 7.74 7.78 3koyB1 LEU 549 H 0.04 0.18 0.07 -0.55 8.37 8.11 3koyB1 LEU 549 HA -0.02 0.35 0.97 -0.75 4.35 4.89 3koyB1 LEU 549 HB2 0.02 0.06 -0.15 -0.04 1.64 1.53 3koyB1 LEU 549 HB3 0.00 -0.13 -0.09 -0.04 1.64 1.38 3koyB1 LEU 549 HG 0.03 0.11 -0.28 -0.04 1.64 1.46 3koyB1 LEU 549 HD13 0.02 -0.05 -0.17 -0.04 0.93 0.70 3koyB1 LEU 549 HD23 -0.04 0.01 -0.28 -0.04 0.89 0.54 3koyB1 GLU 550 H -0.03 0.56 0.34 -0.55 8.60 8.92 3koyB1 GLU 550 HA 0.00 0.14 0.99 -0.75 4.29 4.67 3koyB1 GLU 550 HB2 -0.03 0.05 0.07 -0.04 2.09 2.14 3koyB1 GLU 550 HB3 -0.01 -0.06 0.03 -0.04 1.99 1.91 3koyB1 GLU 550 HG2 -0.01 0.13 -0.16 -0.04 2.34 2.25 3koyB1 GLU 550 HG3 -0.01 -0.00 -0.05 -0.04 2.34 2.24 3koyB1 GLU 551 H 0.00 0.14 0.14 -0.55 8.60 8.34 3koyB1 GLU 551 HA 0.00 0.02 0.32 -0.75 4.29 3.88 3koyB1 GLU 551 HB2 -0.02 0.19 -0.13 -0.04 2.09 2.09 3koyB1 GLU 551 HB3 -0.01 -0.00 0.13 -0.04 1.99 2.07 3koyB1 GLU 551 HG2 -0.00 0.00 0.00 -0.04 2.34 2.30 3koyB1 GLU 551 HG3 -0.01 -0.06 -0.18 -0.04 2.34 2.05 3koyB1 VAL 552 H 0.01 0.01 -0.11 -0.55 8.24 7.59 3koyB1 VAL 552 HA 0.01 0.30 0.43 -0.75 4.13 4.11 3koyB1 VAL 552 HB 0.01 -0.07 0.08 -0.04 2.12 2.09 3koyB1 VAL 552 HG13 0.01 -0.02 -0.19 -0.04 0.97 0.73 3koyB1 VAL 552 HG23 0.02 -0.00 -0.21 -0.04 0.95 0.71 3koyB1 GLU 553 H 0.01 0.68 0.39 -0.55 8.60 9.13 3koyB1 GLU 553 HA -0.02 0.11 0.76 -0.75 4.29 4.38 3koyB1 GLU 553 HB2 0.02 -0.03 0.17 -0.04 2.09 2.20 3koyB1 GLU 553 HB3 -0.01 0.05 -0.01 -0.04 1.99 1.98 3koyB1 GLU 553 HG2 -0.01 0.02 0.02 -0.04 2.34 2.33 3koyB1 GLU 553 HG3 0.00 0.11 -0.21 -0.04 2.34 2.20 3koyB1 VAL 554 H -0.06 0.15 0.07 -0.55 8.24 7.85 3koyB1 VAL 554 HA -0.03 0.08 0.79 -0.75 4.13 4.22 3koyB1 VAL 554 HB -0.11 -0.01 0.16 -0.04 2.12 2.12 3koyB1 VAL 554 HG13 -0.07 -0.01 -0.16 -0.04 0.97 0.69 3koyB1 VAL 554 HG23 -0.09 -0.00 -0.00 -0.04 0.95 0.81 3koyB1 ILE 555 H -0.03 0.82 0.51 -0.55 8.25 9.00 3koyB1 ILE 555 HA -0.04 0.23 0.99 -0.75 4.18 4.60 3koyB1 ILE 555 HB -0.07 0.15 0.18 -0.04 1.89 2.11 3koyB1 ILE 555 HG12 -0.01 0.02 -0.11 -0.04 1.49 1.36 3koyB1 ILE 555 HG13 -0.08 -0.03 -0.16 -0.04 1.21 0.89 3koyB1 ILE 555 HG23 0.00 0.05 -0.23 -0.04 0.93 0.71 3koyB1 ILE 555 HD13 -0.08 -0.02 -0.12 -0.04 0.88 0.62 3koyB1 ASN 556 H -0.04 0.18 0.10 -0.55 8.53 8.22 3koyB1 ASN 556 HA -0.05 0.03 0.33 -0.75 4.76 4.32 3koyB1 ASN 556 HB2 -0.07 0.35 0.11 -0.04 2.88 3.22 3koyB1 ASN 556 HB3 -0.05 -0.09 -0.02 -0.04 2.79 2.59 3koyB1 ASN 556 HD21 -0.03 -0.11 -0.19 -0.04 7.03 6.66 3koyB1 ASN 556 HD22 -0.04 0.03 -0.15 -0.04 7.74 7.54 3koyB1 ARG 557 H -0.03 0.21 0.05 -0.55 8.46 8.14 3koyB1 ARG 557 HA -0.01 0.40 0.98 -0.75 4.34 4.95 3koyB1 ARG 557 HB2 -0.01 -0.05 0.05 -0.04 1.90 1.85 3koyB1 ARG 557 HB3 -0.02 0.06 0.06 -0.04 1.80 1.86 3koyB1 ARG 557 HG2 -0.04 0.02 -0.29 -0.04 1.67 1.32 3koyB1 ARG 557 HG3 -0.03 -0.05 0.01 -0.04 1.67 1.56 3koyB1 ARG 557 HD2 -0.02 -0.00 0.00 -0.04 3.22 3.16 3koyB1 ARG 557 HD3 -0.02 -0.02 -0.04 -0.04 3.22 3.09 3koyB1 GLU 558 H 0.00 0.46 0.16 -0.55 8.60 8.67 3koyB1 GLU 558 HA 0.00 0.15 1.00 -0.75 4.29 4.68 3koyB1 GLU 558 HB2 0.02 -0.02 0.09 -0.04 2.09 2.14 3koyB1 GLU 558 HB3 0.01 0.09 -0.04 -0.04 1.99 2.00 3koyB1 GLU 558 HG2 -0.01 0.05 -0.03 -0.04 2.34 2.31 3koyB1 GLU 558 HG3 -0.01 -0.07 -0.20 -0.04 2.34 2.02 3koyB1 VAL 559 H 0.01 0.17 0.13 -0.55 8.24 8.00 3koyB1 VAL 559 HA 0.03 0.10 0.71 -0.75 4.13 4.21 3koyB1 VAL 559 HB 0.01 0.03 0.10 -0.04 2.12 2.22 3koyB1 VAL 559 HG13 0.02 -0.00 -0.30 -0.04 0.97 0.65 3koyB1 VAL 559 HG23 0.01 0.00 0.00 -0.04 0.95 0.92 3koyB1 MET 560 H 0.08 0.37 0.35 -0.55 8.47 8.72 3koyB1 MET 560 HA 0.05 0.06 0.54 -0.75 4.52 4.42 3koyB1 MET 560 HB2 0.21 0.20 0.10 -0.04 2.15 2.61 3koyB1 MET 560 HB3 0.10 -0.03 -0.07 -0.04 2.03 2.00 3koyB1 MET 560 HG2 0.23 -0.10 -0.06 -0.04 2.63 2.65 3koyB1 MET 560 HG3 0.41 0.00 -0.23 -0.04 2.56 2.71 3koyB1 MET 560 HE3 0.05 0.01 -0.22 -0.04 2.10 1.89 3koyB1 GLN 561 H 0.09 0.41 0.13 -0.55 8.47 8.55 3koyB1 GLN 561 HA 0.03 0.14 0.28 -0.75 4.36 4.06 3koyB1 GLN 561 HB2 0.03 0.15 0.00 -0.04 2.15 2.30 3koyB1 GLN 561 HB3 0.05 -0.14 0.07 -0.04 2.02 1.96 3koyB1 GLN 561 HG2 0.02 0.06 0.11 -0.04 2.40 2.55 3koyB1 GLN 561 HG3 0.02 0.07 0.04 -0.04 2.39 2.47 3koyB1 GLN 561 HE21 0.01 -0.01 0.02 -0.04 6.97 6.95 3koyB1 GLN 561 HE22 0.01 0.10 0.04 -0.04 7.69 7.80 3koyB1 GLU 562 H 0.02 0.20 0.03 -0.55 8.60 8.31 3koyB1 GLU 562 HA 0.02 0.02 0.26 -0.75 4.29 3.83 3koyB1 GLU 562 HB2 0.01 0.04 0.14 -0.04 2.09 2.25 3koyB1 GLU 562 HB3 0.01 -0.05 0.10 -0.04 1.99 2.02 3koyB1 GLU 562 HG2 0.01 0.02 -0.14 -0.04 2.34 2.19 3koyB1 GLU 562 HG3 0.01 -0.05 0.06 -0.04 2.34 2.32 3koyB1 ALA 563 H 0.02 0.01 -0.18 -0.55 8.40 7.71 3koyB1 ALA 563 HA 0.01 0.09 0.56 -0.75 4.34 4.24 3koyB1 ALA 563 HB3 0.02 -0.00 0.03 -0.04 1.41 1.41 3koyB1 GLU 564 H 0.04 -0.06 -0.14 -0.55 8.60 7.89 3koyB1 GLU 564 HA 0.06 0.06 0.09 -0.75 4.29 3.76 3koyB1 GLU 564 HB2 0.08 -0.05 0.06 -0.04 2.09 2.14 3koyB1 GLU 564 HB3 0.12 0.03 -0.01 -0.04 1.99 2.09 3koyB1 GLU 564 HG2 0.04 -0.11 0.02 -0.04 2.34 2.25 3koyB1 GLU 564 HG3 0.04 0.02 -0.00 -0.04 2.34 2.36 3koyB1 GLY 565 H 0.05 0.40 -0.22 -0.55 8.43 8.12 3koyB1 GLY 565 HA2 -0.19 0.12 0.55 -0.51 4.01 3.98 3koyB1 GLY 565 HA3 -0.05 0.06 0.55 -0.51 4.01 4.06 3koyB1 THR 566 H -0.44 0.68 0.35 -0.55 8.28 8.32 3koyB1 THR 566 HA 0.04 -0.05 1.06 -0.75 4.39 4.69 3koyB1 THR 566 HB -0.10 0.00 0.06 -0.04 4.32 4.24 3koyB1 THR 566 HG23 -0.02 0.01 -0.32 -0.04 1.22 0.86 3koyB1 ARG 567 H 0.09 0.42 0.31 -0.55 8.46 8.72 3koyB1 ARG 567 HA 0.12 0.22 0.96 -0.75 4.34 4.88 3koyB1 ARG 567 HB2 0.12 -0.01 0.08 -0.04 1.90 2.06 3koyB1 ARG 567 HB3 0.06 -0.07 0.18 -0.04 1.80 1.92 3koyB1 ARG 567 HG2 0.03 0.01 -0.36 -0.04 1.67 1.31 3koyB1 ARG 567 HG3 0.06 0.09 -0.04 -0.04 1.67 1.74 3koyB1 ARG 567 HD2 0.03 0.02 -0.06 -0.04 3.22 3.17 3koyB1 ARG 567 HD3 0.02 -0.10 -0.07 -0.04 3.22 3.02 3koyB1 ILE 568 H 0.02 0.66 0.39 -0.55 8.25 8.78 3koyB1 ILE 568 HA -0.01 0.30 1.13 -0.75 4.18 4.84 3koyB1 ILE 568 HB -0.02 -0.03 0.03 -0.04 1.89 1.83 3koyB1 ILE 568 HG12 -0.02 0.01 -0.75 -0.04 1.49 0.69 3koyB1 ILE 568 HG13 -0.03 -0.02 -0.29 -0.04 1.21 0.82 3koyB1 ILE 568 HG23 -0.02 -0.01 -0.16 -0.04 0.93 0.71 3koyB1 ILE 568 HD13 -0.04 0.01 -0.01 -0.04 0.88 0.81 3koyB1 GLU 569 H -0.01 0.55 0.33 -0.55 8.60 8.91 3koyB1 GLU 569 HA 0.02 0.39 1.20 -0.75 4.29 5.14 3koyB1 GLU 569 HB2 -0.03 -0.06 0.07 -0.04 2.09 2.04 3koyB1 GLU 569 HB3 0.00 0.06 -0.02 -0.04 1.99 1.99 3koyB1 GLU 569 HG2 0.02 0.05 -0.06 -0.04 2.34 2.30 3koyB1 GLU 569 HG3 0.00 -0.10 -0.41 -0.04 2.34 1.78 3koyB1 LEU 570 H 0.03 0.68 0.35 -0.55 8.37 8.88 3koyB1 LEU 570 HA 0.01 0.12 1.26 -0.75 4.35 5.00 3koyB1 LEU 570 HB2 0.03 -0.01 -0.13 -0.04 1.64 1.49 3koyB1 LEU 570 HB3 0.01 0.05 -0.18 -0.04 1.64 1.48 3koyB1 LEU 570 HG -0.00 -0.09 -0.28 -0.04 1.64 1.22 3koyB1 LEU 570 HD13 0.03 0.03 -0.12 -0.04 0.93 0.83 3koyB1 LEU 570 HD23 0.02 -0.03 -0.35 -0.04 0.89 0.49 3koyB1 LYS 571 H 0.06 0.65 0.42 -0.55 8.42 8.99 3koyB1 LYS 571 HA 0.16 0.31 1.17 -0.75 4.32 5.19 3koyB1 LYS 571 HB2 0.20 0.00 0.12 -0.04 1.87 2.16 3koyB1 LYS 571 HB3 0.35 -0.05 0.08 -0.04 1.79 2.13 3koyB1 LYS 571 HG2 0.11 0.01 0.08 -0.04 1.46 1.61 3koyB1 LYS 571 HG3 0.06 -0.06 0.20 -0.04 1.46 1.63 3koyB1 LYS 571 HD2 0.05 0.07 -0.06 -0.04 1.69 1.70 3koyB1 LYS 571 HD3 0.20 -0.05 -0.02 -0.04 1.68 1.76 3koyB1 LYS 571 HE2 0.09 0.02 0.01 -0.04 2.99 3.08 3koyB1 LYS 571 HE3 0.04 0.01 0.00 -0.04 2.99 3.00 3koyB1 GLY 572 H 0.02 0.49 0.36 -0.55 8.43 8.75 3koyB1 GLY 572 HA2 -0.01 0.27 0.57 -0.51 4.01 4.33 3koyB1 GLY 572 HA3 -0.00 -0.01 0.18 -0.51 4.01 3.67 3koyB1 ARG 573 H -0.04 0.43 0.28 -0.55 8.46 8.58 3koyB1 ARG 573 HA -0.12 0.36 0.95 -0.75 4.34 4.78 3koyB1 ARG 573 HB2 -0.07 -0.04 -0.06 -0.04 1.90 1.69 3koyB1 ARG 573 HB3 -0.06 -0.14 0.08 -0.04 1.80 1.64 3koyB1 ARG 573 HG2 -0.11 0.17 -0.17 -0.04 1.67 1.52 3koyB1 ARG 573 HG3 -0.11 0.04 0.04 -0.04 1.67 1.60 3koyB1 ARG 573 HD2 -0.06 0.04 -0.05 -0.04 3.22 3.12 3koyB1 ARG 573 HD3 -0.05 -0.04 -0.02 -0.04 3.22 3.06 3koyB1 VAL 574 H -0.17 0.79 0.39 -0.55 8.24 8.70 3koyB1 VAL 574 HA -0.30 0.21 0.77 -0.75 4.13 4.06 3koyB1 VAL 574 HB -0.27 -0.01 0.25 -0.04 2.12 2.04 3koyB1 VAL 574 HG13 -0.90 -0.04 0.01 -0.04 0.97 -0.00 3koyB1 VAL 574 HG23 -0.16 0.00 0.00 -0.04 0.95 0.75 3koyB1 PRO 575 HA -0.09 0.13 0.49 -0.51 4.44 4.46 3koyB1 PRO 575 HB2 0.11 -0.03 0.11 -0.04 2.28 2.43 3koyB1 PRO 575 HB3 0.01 -0.04 0.09 -0.04 2.02 2.03 3koyB1 PRO 575 HG2 0.08 0.01 0.10 -0.04 2.03 2.17 3koyB1 PRO 575 HG3 -0.03 0.02 0.03 -0.04 2.03 2.01 3koyB1 PRO 575 HD2 -0.51 0.03 0.21 -0.04 3.68 3.38 3koyB1 PRO 575 HD3 -0.24 0.25 0.48 -0.04 3.65 4.11 3koyB1 PHE 576 H -0.71 0.20 -0.29 -0.55 8.34 6.99 3koyB1 PHE 576 HA 0.05 0.11 0.66 -0.75 4.62 4.69 3koyB1 PHE 576 HB2 0.03 -0.04 0.17 -0.04 3.15 3.27 3koyB1 PHE 576 HB3 0.02 0.05 -0.02 -0.04 3.06 3.08 3koyB1 PHE 576 HD2 0.02 0.09 -0.23 -0.04 7.28 7.11 3koyB1 PHE 576 HE2 0.01 0.03 -0.01 -0.04 7.38 7.38 3koyB1 PHE 576 HZ 0.01 0.02 0.01 -0.04 7.32 7.32 3koyB1 SER 577 H 0.28 0.10 0.15 -0.55 8.46 8.44 3koyB1 SER 577 HA 0.19 0.28 1.00 -0.75 4.49 5.21 3koyB1 SER 577 HB2 0.12 -0.03 0.02 -0.04 3.95 4.02 3koyB1 SER 577 HB3 0.16 -0.10 0.20 -0.04 3.93 4.15 3koyB1 ILE 578 H 0.12 0.32 0.33 -0.55 8.25 8.46 3koyB1 ILE 578 HA 0.06 0.11 0.75 -0.75 4.18 4.35 3koyB1 ILE 578 HB 0.09 0.03 -0.05 -0.04 1.89 1.93 3koyB1 ILE 578 HG12 0.06 -0.02 -0.05 -0.04 1.49 1.44 3koyB1 ILE 578 HG13 0.05 -0.01 0.08 -0.04 1.21 1.29 3koyB1 ILE 578 HG23 0.04 0.01 -0.35 -0.04 0.93 0.58 3koyB1 ILE 578 HD13 0.16 0.16 -0.07 -0.04 0.88 1.09 3koyB1 ASP 579 H 0.02 0.19 0.11 -0.55 8.40 8.18 3koyB1 ASP 579 HA -0.00 0.28 0.97 -0.75 4.63 5.13 3koyB1 ASP 579 HB2 -0.01 0.01 0.04 -0.04 2.71 2.71 3koyB1 ASP 579 HB3 -0.01 -0.03 0.11 -0.04 2.70 2.73 3koyB1 ILE 580 H 0.00 0.61 0.21 -0.55 8.25 8.52 3koyB1 ILE 580 HA 0.01 0.06 0.33 -0.75 4.18 3.82 3koyB1 ILE 580 HB -0.00 -0.10 0.19 -0.04 1.89 1.94 3koyB1 ILE 580 HG12 0.01 0.31 0.20 -0.04 1.49 1.96 3koyB1 ILE 580 HG13 0.00 -0.01 0.09 -0.04 1.21 1.26 3koyB1 ILE 580 HG23 -0.00 0.00 -0.06 -0.04 0.93 0.83 3koyB1 ILE 580 HD13 0.01 -0.02 -0.03 -0.04 0.88 0.80 3koyB1 ASN 581 H -0.01 0.13 -0.05 -0.55 8.53 8.06 3koyB1 ASN 581 HA -0.01 0.08 0.28 -0.75 4.76 4.35 3koyB1 ASN 581 HB2 -0.01 -0.02 -0.05 -0.04 2.88 2.76 3koyB1 ASN 581 HB3 -0.01 0.02 0.04 -0.04 2.79 2.80 3koyB1 ASN 581 HD21 -0.01 0.04 0.03 -0.04 7.03 7.05 3koyB1 ASN 581 HD22 -0.01 -0.01 -0.00 -0.04 7.74 7.67 3koyB1 SER 582 H -0.00 0.24 -0.89 -0.55 8.46 7.25 3koyB1 SER 582 HA -0.01 0.05 0.48 -0.75 4.49 4.27 3koyB1 SER 582 HB2 -0.00 0.11 0.10 -0.04 3.95 4.11 3koyB1 SER 582 HB3 -0.01 -0.06 0.16 -0.04 3.93 3.99 3koyB1 LEU 583 H -0.00 0.41 -0.39 -0.55 8.37 7.84 3koyB1 LEU 583 HA 0.00 0.06 0.90 -0.75 4.35 4.56 3koyB1 LEU 583 HB2 0.00 0.09 0.14 -0.04 1.64 1.83 3koyB1 LEU 583 HB3 0.00 -0.03 -0.10 -0.04 1.64 1.48 3koyB1 LEU 583 HG 0.01 0.13 -0.04 -0.04 1.64 1.70 3koyB1 LEU 583 HD13 0.01 -0.04 -0.03 -0.04 0.93 0.83 3koyB1 LEU 583 HD23 0.01 -0.01 -0.05 -0.04 0.89 0.80 3koyB1 VAL 584 H -0.00 0.14 0.13 -0.55 8.24 7.96 3koyB1 VAL 584 HA -0.00 0.09 0.63 -0.75 4.13 4.09 3koyB1 VAL 584 HB -0.00 -0.02 0.17 -0.04 2.12 2.23 3koyB1 VAL 584 HG13 -0.00 -0.01 -0.08 -0.04 0.97 0.84 3koyB1 VAL 584 HG23 -0.00 0.01 0.03 -0.04 0.95 0.94 3koyB1 ILE 585 H -0.00 0.21 0.12 -0.55 8.25 8.03 3koyB1 ILE 585 HA -0.00 0.20 0.99 -0.75 4.18 4.62 3koyB1 ILE 585 HB -0.00 -0.02 0.08 -0.04 1.89 1.91 3koyB1 ILE 585 HG12 0.00 0.05 -0.29 -0.04 1.49 1.21 3koyB1 ILE 585 HG13 -0.00 0.04 -0.73 -0.04 1.21 0.49 3koyB1 ILE 585 HG23 -0.00 0.02 -0.11 -0.04 0.93 0.81 3koyB1 ILE 585 HD13 -0.00 -0.02 -0.08 -0.04 0.88 0.74 3koyB1 PRO 586 HA -0.00 0.10 0.42 -0.51 4.44 4.44 3koyB1 PRO 586 HB2 0.00 0.00 -0.04 -0.04 2.28 2.21 3koyB1 PRO 586 HB3 -0.00 0.00 0.08 -0.04 2.02 2.06 3koyB1 PRO 586 HG2 0.00 0.02 0.04 -0.04 2.03 2.06 3koyB1 PRO 586 HG3 -0.00 0.01 0.00 -0.04 2.03 2.00 3koyB1 PRO 586 HD2 0.00 0.11 0.17 -0.04 3.68 3.91 3koyB1 PRO 586 HD3 0.00 0.24 0.16 -0.04 3.65 4.01 3koyB1 PRO 587 HA -0.00 0.21 0.56 -0.51 4.44 4.70 3koyB1 PRO 587 HB2 0.00 0.01 0.10 -0.04 2.28 2.35 3koyB1 PRO 587 HB3 -0.00 0.04 0.08 -0.04 2.02 2.10 3koyB1 PRO 587 HG2 -0.00 0.01 0.06 -0.04 2.03 2.06 3koyB1 PRO 587 HG3 -0.00 0.09 0.00 -0.04 2.03 2.08 3koyB1 PRO 587 HD2 -0.00 0.07 0.18 -0.04 3.68 3.89 3koyB1 PRO 587 HD3 -0.00 0.16 0.18 -0.04 3.65 3.95 3koyB1 ILE 591 HA 0.02 -0.11 0.23 -0.75 4.18 3.57 3koyB1 ILE 591 HB 0.01 0.01 0.15 -0.04 1.89 2.02 3koyB1 ILE 591 HG12 0.03 -0.03 -0.00 -0.04 1.49 1.44 3koyB1 ILE 591 HG13 0.02 0.02 -0.09 -0.04 1.21 1.12 3koyB1 ILE 591 HG23 0.01 -0.02 -0.23 -0.04 0.93 0.66 3koyB1 ILE 591 HD13 0.02 -0.00 -0.05 -0.04 0.88 0.81 3koyB1 LEU 592 H 0.01 0.08 0.09 -0.55 8.37 8.00 3koyB1 LEU 592 HA -0.01 0.13 0.79 -0.75 4.35 4.51 3koyB1 LEU 592 HB2 -0.00 -0.00 0.12 -0.04 1.64 1.71 3koyB1 LEU 592 HB3 -0.03 -0.01 -0.04 -0.04 1.64 1.51 3koyB1 LEU 592 HG -0.01 0.03 -0.02 -0.04 1.64 1.60 3koyB1 LEU 592 HD13 -0.03 -0.02 -0.10 -0.04 0.93 0.74 3koyB1 LEU 592 HD23 -0.01 0.01 -0.00 -0.04 0.89 0.85 3koyB1 SER 593 H -0.02 0.12 0.17 -0.55 8.46 8.19 3koyB1 SER 593 HA -0.02 0.19 0.38 -0.75 4.49 4.29 3koyB1 SER 593 HB2 -0.00 0.03 0.13 -0.04 3.95 4.07 3koyB1 SER 593 HB3 -0.01 0.19 0.13 -0.04 3.93 4.19 3koyB1 GLU 594 H -0.01 0.22 0.17 -0.55 8.60 8.44 3koyB1 GLU 594 HA -0.17 0.09 0.44 -0.75 4.29 3.90 3koyB1 ASP 595 H 0.00 0.03 -0.30 -0.55 8.40 7.58 3koyB1 ASP 595 HA 0.03 0.19 0.50 -0.75 4.63 4.59 3koyB1 ASP 595 HB2 0.01 -0.05 0.07 -0.04 2.71 2.70 3koyB1 ASP 595 HB3 0.01 0.07 -0.07 -0.04 2.70 2.66 3koyB1 GLU 596 H -0.02 0.06 -0.15 -0.55 8.60 7.94 3koyB1 GLU 596 HA -0.01 0.16 0.51 -0.75 4.29 4.19 3koyB1 ILE 597 H -0.08 0.38 -0.22 -0.55 8.25 7.78 3koyB1 ILE 597 HA -0.07 0.10 0.51 -0.75 4.18 3.97 3koyB1 ILE 597 HB -0.27 0.03 0.07 -0.04 1.89 1.67 3koyB1 ILE 597 HG12 -0.11 0.05 -0.08 -0.04 1.49 1.30 3koyB1 ILE 597 HG13 -0.10 -0.05 -0.12 -0.04 1.21 0.89 3koyB1 ILE 597 HG23 -0.25 0.02 -0.27 -0.04 0.93 0.39 3koyB1 ILE 597 HD13 -0.23 -0.03 -0.22 -0.04 0.88 0.36 3koyB1 ARG 598 H -0.04 0.39 -0.05 -0.55 8.46 8.21 3koyB1 ARG 598 HA 0.07 0.22 0.50 -0.75 4.34 4.38 3koyB1 ARG 598 HB2 0.10 0.16 0.23 -0.04 1.90 2.35 3koyB1 ARG 598 HB3 0.04 0.06 0.05 -0.04 1.80 1.92 3koyB1 ARG 598 HG2 0.05 -0.02 -0.03 -0.04 1.67 1.64 3koyB1 ARG 598 HG3 0.11 0.07 0.07 -0.04 1.67 1.87 3koyB1 ARG 598 HD2 0.08 -0.04 -0.01 -0.04 3.22 3.21 3koyB1 ARG 598 HD3 0.05 -0.03 -0.02 -0.04 3.22 3.18 3koyB1 GLU 599 H -0.01 0.03 -1.03 -0.55 8.60 7.06 3koyB1 GLU 599 HA 0.01 0.05 0.33 -0.75 4.29 3.92 3koyB1 ASP 600 H -0.01 0.31 -0.09 -0.55 8.40 8.07 3koyB1 ASP 600 HA -0.01 0.03 0.48 -0.75 4.63 4.38 3koyB1 ASP 600 HB2 -0.02 0.08 0.22 -0.04 2.71 2.94 3koyB1 ASP 600 HB3 -0.02 0.04 0.08 -0.04 2.70 2.76 3koyB1 ILE 601 H 0.00 0.40 -0.11 -0.55 8.25 7.99 3koyB1 ILE 601 HA 0.01 0.22 0.18 -0.75 4.18 3.83 3koyB1 ILE 601 HB 0.03 0.16 0.01 -0.04 1.89 2.05 3koyB1 ILE 601 HG12 0.00 -0.07 0.03 -0.04 1.49 1.41 3koyB1 ILE 601 HG13 0.03 0.10 -0.07 -0.04 1.21 1.24 3koyB1 ILE 601 HG23 0.03 -0.08 -0.18 -0.04 0.93 0.66 3koyB1 ILE 601 HD13 0.03 -0.04 -0.15 -0.04 0.88 0.68 3koyB1 GLU 602 H 0.01 0.25 -0.41 -0.55 8.60 7.90 3koyB1 GLU 602 HA 0.01 0.05 0.48 -0.75 4.29 4.08 3koyB1 GLU 602 HB2 0.01 0.09 0.10 -0.04 2.09 2.25 3koyB1 GLU 602 HB3 0.01 0.08 0.01 -0.04 1.99 2.04 3koyB1 GLU 602 HG2 0.01 -0.01 -0.04 -0.04 2.34 2.26 3koyB1 GLU 602 HG3 0.01 -0.03 0.06 -0.04 2.34 2.34 3koyB1 LYS 603 H 0.00 0.23 -0.37 -0.55 8.42 7.73 3koyB1 LYS 603 HA 0.00 -0.00 0.54 -0.75 4.32 4.11 3koyB1 LYS 603 HB2 0.00 0.00 0.13 -0.04 1.87 1.97 3koyB1 LYS 603 HB3 -0.00 0.12 0.19 -0.04 1.79 2.06 3koyB1 LYS 603 HG2 0.00 -0.00 -0.02 -0.04 1.46 1.39 3koyB1 LYS 603 HG3 0.00 -0.07 0.04 -0.04 1.46 1.38 3koyB1 LYS 603 HD2 -0.00 0.05 -0.05 -0.04 1.69 1.65 3koyB1 LYS 603 HD3 -0.00 -0.07 -0.02 -0.04 1.68 1.55 3koyB1 LYS 603 HE2 -0.00 -0.04 0.01 -0.04 2.99 2.91 3koyB1 LYS 603 HE3 -0.00 0.05 0.03 -0.04 2.99 3.02 3koyB1 THR 604 H 0.00 0.80 0.02 -0.55 8.28 8.55 3koyB1 THR 604 HA 0.00 0.16 0.87 -0.75 4.39 4.66 3koyB1 THR 604 HB -0.01 -0.04 0.14 -0.04 4.32 4.37 3koyB1 THR 604 HG23 -0.00 0.01 -0.02 -0.04 1.22 1.16 3koyB1 PRO 605 HA 0.01 0.15 0.48 -0.51 4.44 4.57 3koyB1 PRO 605 HB2 0.02 -0.07 0.01 -0.04 2.28 2.19 3koyB1 PRO 605 HB3 0.02 -0.02 0.09 -0.04 2.02 2.07 3koyB1 PRO 605 HG2 0.01 -0.08 0.04 -0.04 2.03 1.97 3koyB1 PRO 605 HG3 0.01 0.13 0.03 -0.04 2.03 2.17 3koyB1 PRO 605 HD2 0.01 0.00 0.11 -0.04 3.68 3.76 3koyB1 PRO 605 HD3 0.01 0.27 -0.39 -0.04 3.65 3.50 3koyB1 LEU 606 H 0.02 0.14 0.23 -0.55 8.37 8.21 3koyB1 LEU 606 HA 0.01 0.20 0.88 -0.75 4.35 4.69 3koyB1 LEU 606 HB2 0.01 0.05 0.05 -0.04 1.64 1.71 3koyB1 LEU 606 HB3 0.03 -0.13 -0.01 -0.04 1.64 1.48 3koyB1 LEU 606 HG 0.01 -0.05 -0.09 -0.04 1.64 1.47 3koyB1 LEU 606 HD13 -0.02 0.05 -0.02 -0.04 0.93 0.90 3koyB1 LEU 606 HD23 -0.01 -0.02 -0.16 -0.04 0.89 0.66 3koyB1 LYS 607 H 0.03 0.22 0.21 -0.55 8.42 8.33 3koyB1 LYS 607 HA 0.08 0.21 0.99 -0.75 4.32 4.85 3koyB1 LYS 607 HB2 0.05 0.06 -0.13 -0.04 1.87 1.81 3koyB1 LYS 607 HB3 0.05 -0.02 0.09 -0.04 1.79 1.86 3koyB1 LYS 607 HG2 0.17 -0.03 -0.16 -0.04 1.46 1.40 3koyB1 LYS 607 HG3 0.16 -0.05 -0.04 -0.04 1.46 1.50 3koyB1 LYS 607 HD2 0.02 0.15 -0.16 -0.04 1.69 1.66 3koyB1 LYS 607 HD3 -0.03 -0.05 -0.18 -0.04 1.68 1.38 3koyB1 LYS 607 HE2 0.16 -0.11 -0.05 -0.04 2.99 2.95 3koyB1 LYS 607 HE3 0.05 -0.00 -0.04 -0.04 2.99 2.96 3koyB1 ILE 608 H 0.13 0.55 0.23 -0.55 8.25 8.61 3koyB1 ILE 608 HA 0.08 0.23 1.10 -0.75 4.18 4.83 3koyB1 ILE 608 HB 0.07 0.08 -0.02 -0.04 1.89 1.98 3koyB1 ILE 608 HG12 0.07 -0.08 -0.23 -0.04 1.49 1.21 3koyB1 ILE 608 HG13 0.08 0.03 -0.19 -0.04 1.21 1.09 3koyB1 ILE 608 HG23 0.09 -0.00 -0.38 -0.04 0.93 0.60 3koyB1 ILE 608 HD13 0.05 0.07 -0.55 -0.04 0.88 0.41 3koyB1 VAL 609 H 0.08 0.53 0.35 -0.55 8.24 8.64 3koyB1 VAL 609 HA 0.14 0.26 0.90 -0.75 4.13 4.67 3koyB1 VAL 609 HB 0.05 -0.03 0.08 -0.04 2.12 2.18 3koyB1 VAL 609 HG13 0.01 0.01 -0.16 -0.04 0.97 0.78 3koyB1 VAL 609 HG23 0.05 0.05 0.10 -0.04 0.95 1.11 3koyB1 ALA 610 H 0.12 0.58 0.33 -0.55 8.40 8.89 3koyB1 ALA 610 HA 0.10 0.29 0.80 -0.75 4.34 4.77 3koyB1 ALA 610 HB3 0.15 -0.02 -0.12 -0.04 1.41 1.38 3koyB1 ALA 611 H 0.10 0.48 0.35 -0.55 8.40 8.78 3koyB1 ALA 611 HA 0.07 -0.05 0.41 -0.75 4.34 4.02 3koyB1 ALA 611 HB3 -0.06 0.10 -0.01 -0.04 1.41 1.40 3koyB1 THR 612 H 0.03 0.48 0.23 -0.55 8.28 8.47 3koyB1 THR 612 HA 0.06 0.11 0.92 -0.75 4.39 4.73 3koyB1 THR 612 HB 0.05 -0.05 0.18 -0.04 4.32 4.46 3koyB1 THR 612 HG23 0.06 -0.06 -0.19 -0.04 1.22 0.99 3koyB1 VAL 613 H 0.04 0.53 0.32 -0.55 8.24 8.58 3koyB1 VAL 613 HA 0.01 0.26 0.37 -0.75 4.13 4.02 3koyB1 VAL 613 HB 0.04 0.10 0.14 -0.04 2.12 2.35 3koyB1 VAL 613 HG13 0.03 -0.04 -0.18 -0.04 0.97 0.75 3koyB1 VAL 613 HG23 0.02 0.03 -0.13 -0.04 0.95 0.83 3koyB1 GLY 614 H 0.01 0.59 0.06 -0.55 8.43 8.54 3koyB1 GLY 614 HA2 0.02 0.00 0.24 -0.51 4.01 3.76 3koyB1 GLY 614 HA3 0.02 0.08 0.64 -0.51 4.01 4.25 3koyB1 GLU 615 H 0.02 0.15 0.04 -0.55 8.60 8.27 3koyB1 GLU 615 HA -0.00 0.24 0.82 -0.75 4.29 4.60 3koyB1 GLU 615 HB2 0.01 -0.03 0.19 -0.04 2.09 2.23 3koyB1 GLU 615 HB3 -0.00 0.02 0.14 -0.04 1.99 2.11 3koyB1 GLU 615 HG2 0.00 0.08 -0.02 -0.04 2.34 2.36 3koyB1 GLU 615 HG3 0.01 -0.06 -0.19 -0.04 2.34 2.06 3koyB1 ASP 616 H -0.01 0.34 -0.31 -0.55 8.40 7.87 3koyB1 ASP 616 HA -0.06 0.12 0.79 -0.75 4.63 4.73 3koyB1 ASP 616 HB2 0.03 0.17 -0.20 -0.04 2.71 2.67 3koyB1 ASP 616 HB3 0.03 0.03 -0.08 -0.04 2.70 2.64 3koyB1 GLU 617 H -0.22 0.21 0.12 -0.55 8.60 8.17 3koyB1 GLU 617 HA -0.05 0.21 0.87 -0.75 4.29 4.57 3koyB1 GLU 617 HB2 -0.15 0.01 0.10 -0.04 2.09 2.01 3koyB1 GLU 617 HB3 -0.07 0.02 0.18 -0.04 1.99 2.08 3koyB1 GLU 617 HG2 -0.06 -0.00 -0.13 -0.04 2.34 2.11 3koyB1 GLU 617 HG3 -0.05 0.06 -0.01 -0.04 2.34 2.30 3koyB1 HIS 618 H -0.10 0.02 -0.29 -0.55 8.41 7.50 3koyB1 HIS 618 HA 0.02 0.10 0.50 -0.75 4.63 4.49 3koyB1 HIS 618 HB2 0.01 -0.06 0.14 -0.04 3.26 3.32 3koyB1 HIS 618 HB3 0.01 -0.02 0.02 -0.04 3.20 3.16 3koyB1 HIS 618 HD2 0.01 0.06 -0.02 -0.04 6.97 6.96 3koyB1 HIS 618 HE1 -0.00 0.04 0.00 -0.04 7.75 7.75 3koyB1 SER 619 H 0.10 0.25 0.27 -0.55 8.46 8.53 3koyB1 SER 619 HA 0.13 0.15 0.41 -0.75 4.49 4.42 3koyB1 SER 619 HB2 0.12 0.01 -0.02 -0.04 3.95 4.02 3koyB1 SER 619 HB3 0.11 0.04 -0.01 -0.04 3.93 4.04 3koyB1 VAL 620 H 0.06 0.08 0.00 -0.55 8.24 7.84 3koyB1 VAL 620 HA 0.00 0.10 0.12 -0.75 4.13 3.60 3koyB1 VAL 620 HB 0.02 -0.05 0.09 -0.04 2.12 2.14 3koyB1 VAL 620 HG13 -0.00 0.04 -0.16 -0.04 0.97 0.80 3koyB1 VAL 620 HG23 0.02 0.02 0.04 -0.04 0.95 0.99 3koyB1 GLY 621 H 0.02 0.07 -0.16 -0.55 8.43 7.82 3koyB1 GLY 621 HA2 0.01 0.10 0.19 -0.51 4.01 3.80 3koyB1 GLY 621 HA3 0.01 0.02 0.20 -0.51 4.01 3.73 3koyB1 LEU 622 H 0.03 0.15 -0.42 -0.55 8.37 7.59 3koyB1 LEU 622 HA -0.00 0.12 0.30 -0.75 4.35 4.01 3koyB1 LEU 622 HB2 0.07 -0.06 -0.06 -0.04 1.64 1.55 3koyB1 LEU 622 HB3 0.08 0.07 0.01 -0.04 1.64 1.76 3koyB1 LEU 622 HG 0.05 0.01 -0.29 -0.04 1.64 1.37 3koyB1 LEU 622 HD13 0.01 0.01 -0.15 -0.04 0.93 0.76 3koyB1 LEU 622 HD23 0.18 -0.02 -0.19 -0.04 0.89 0.82 3koyB1 ARG 623 H -0.05 0.40 -0.01 -0.55 8.46 8.25 3koyB1 ARG 623 HA -0.21 -0.01 0.39 -0.75 4.34 3.75 3koyB1 ARG 623 HB2 -0.08 0.06 0.05 -0.04 1.90 1.89 3koyB1 ARG 623 HB3 -0.12 -0.03 -0.00 -0.04 1.80 1.60 3koyB1 ARG 623 HG2 -0.34 -0.00 0.01 -0.04 1.67 1.29 3koyB1 ARG 623 HG3 -0.44 -0.02 -0.01 -0.04 1.67 1.15 3koyB1 ARG 623 HD2 -0.04 -0.05 -0.14 -0.04 3.22 2.94 3koyB1 ARG 623 HD3 -0.09 0.02 -0.05 -0.04 3.22 3.07 3koyB1 GLU 624 H -0.03 0.44 -0.63 -0.55 8.60 7.83 3koyB1 GLU 624 HA -0.03 -0.01 0.31 -0.75 4.29 3.82 3koyB1 GLU 624 HB2 0.00 -0.04 -0.07 -0.04 2.09 1.95 3koyB1 GLU 624 HB3 0.01 0.13 -0.04 -0.04 1.99 2.04 3koyB1 GLU 624 HG2 0.07 -0.04 -0.05 -0.04 2.34 2.28 3koyB1 GLU 624 HG3 0.10 0.06 -0.00 -0.04 2.34 2.45 3koyB1 VAL 625 H -0.04 0.39 -0.21 -0.55 8.24 7.83 3koyB1 VAL 625 HA -0.02 0.18 0.71 -0.75 4.13 4.25 3koyB1 VAL 625 HB -0.07 -0.06 -0.03 -0.04 2.12 1.93 3koyB1 VAL 625 HG13 -0.03 -0.00 -0.21 -0.04 0.97 0.69 3koyB1 VAL 625 HG23 -0.07 0.02 -0.09 -0.04 0.95 0.77 3koyB1 ILE 626 H -0.07 0.25 -0.44 -0.55 8.25 7.44 3koyB1 ILE 626 HA -0.05 -0.04 0.92 -0.75 4.18 4.26 3koyB1 ILE 626 HB -0.14 0.01 0.08 -0.04 1.89 1.80 3koyB1 ILE 626 HG12 -0.05 0.03 -0.22 -0.04 1.49 1.22 3koyB1 ILE 626 HG13 -0.09 0.28 -0.16 -0.04 1.21 1.20 3koyB1 ILE 626 HG23 -0.09 -0.00 -0.17 -0.04 0.93 0.63 3koyB1 ILE 626 HD13 -0.10 -0.01 -0.20 -0.04 0.88 0.52 3koyB1 ASP 627 H -0.09 0.58 0.12 -0.55 8.40 8.45 3koyB1 ASP 627 HA -0.09 0.03 0.35 -0.75 4.63 4.17 3koyB1 ASP 627 HB2 -0.10 0.18 0.13 -0.04 2.71 2.89 3koyB1 ASP 627 HB3 -0.11 -0.14 -0.06 -0.04 2.70 2.35 3koyB1 ILE 628 H -0.08 0.21 0.17 -0.55 8.25 8.01 3koyB1 ILE 628 HA -0.10 -0.00 0.27 -0.75 4.18 3.60 3koyB1 ILE 628 HB -0.08 0.04 0.07 -0.04 1.89 1.88 3koyB1 ILE 628 HG12 -0.06 0.03 -0.12 -0.04 1.49 1.30 3koyB1 ILE 628 HG13 -0.11 -0.04 0.10 -0.04 1.21 1.11 3koyB1 ILE 628 HG23 -0.06 0.02 -0.01 -0.04 0.93 0.84 3koyB1 ILE 628 HD13 -0.07 0.04 -0.01 -0.04 0.88 0.80 3koyB1 LYS 629 H -0.08 0.02 -0.19 -0.55 8.42 7.61 3koyB1 LYS 629 HA -0.04 0.08 0.32 -0.75 4.32 3.92 3koyB1 LYS 629 HB2 -0.12 -0.00 0.06 -0.04 1.87 1.77 3koyB1 LYS 629 HB3 -0.19 -0.05 -0.05 -0.04 1.79 1.46 3koyB1 LYS 629 HG2 -0.31 -0.03 -0.06 -0.04 1.46 1.02 3koyB1 LYS 629 HG3 -0.76 0.05 -0.31 -0.04 1.46 0.39 3koyB1 LYS 629 HD2 -0.02 0.04 0.14 -0.04 1.69 1.82 3koyB1 LYS 629 HD3 -0.08 -0.01 0.03 -0.04 1.68 1.57 3koyB1 LYS 629 HE2 -0.08 -0.02 -0.02 -0.04 2.99 2.83 3koyB1 LYS 629 HE3 -0.12 -0.00 -0.06 -0.04 2.99 2.77 3koyB1 HIS 630 H 0.00 0.29 -0.58 -0.55 8.41 7.57 3koyB1 HIS 630 HA -0.04 0.23 0.94 -0.75 4.63 5.00 3koyB1 HIS 630 HB2 -0.04 0.01 0.04 -0.04 3.26 3.23 3koyB1 HIS 630 HB3 -0.04 -0.01 0.18 -0.04 3.20 3.29 3koyB1 HIS 630 HD2 -0.02 -0.04 -0.03 -0.04 6.97 6.82 3koyB1 HIS 630 HE1 -0.02 -0.00 -0.03 -0.04 7.75 7.65 3koyB1 GLY 631 H -0.02 0.72 0.00 -0.55 8.43 8.59 3koyB1 GLY 631 HA2 -0.14 0.04 0.36 -0.51 4.01 3.76 3koyB1 GLY 631 HA3 -0.06 -0.01 0.42 -0.51 4.01 3.85 3koyB1 GLY 632 H -0.08 0.14 -0.26 -0.55 8.43 7.68 3koyB1 GLY 632 HA2 -0.04 0.07 0.27 -0.51 4.01 3.80 3koyB1 GLY 632 HA3 -0.06 -0.07 -0.68 -0.51 4.01 2.69 3koyB1 ILE 633 H -0.03 0.41 0.31 -0.55 8.25 8.39 3koyB1 ILE 633 HA 0.11 0.10 0.21 -0.75 4.18 3.84 3koyB1 ILE 633 HB 0.08 0.00 0.02 -0.04 1.89 1.95 3koyB1 ILE 633 HG12 -0.01 0.14 0.16 -0.04 1.49 1.74 3koyB1 ILE 633 HG13 0.00 -0.01 -0.07 -0.04 1.21 1.09 3koyB1 ILE 633 HG23 0.08 0.03 -0.00 -0.04 0.93 1.00 3koyB1 ILE 633 HD13 0.03 -0.00 -0.17 -0.04 0.88 0.70 3koyB1 GLU 634 H -0.06 0.41 -0.21 -0.55 8.60 8.19 3koyB1 GLU 634 HA -0.02 0.23 0.43 -0.75 4.29 4.17 3koyB1 GLU 634 HB2 -0.05 0.07 0.06 -0.04 2.09 2.13 3koyB1 GLU 634 HB3 -0.05 -0.02 0.05 -0.04 1.99 1.92 3koyB1 GLU 634 HG2 -0.08 0.05 0.02 -0.04 2.34 2.28 3koyB1 GLU 634 HG3 -0.07 0.04 -0.22 -0.04 2.34 2.05 3koyB1 LYS 635 H -0.16 0.16 -0.32 -0.55 8.42 7.55 3koyB1 LYS 635 HA -0.14 0.04 0.44 -0.75 4.32 3.90 3koyB1 LYS 635 HB2 -0.25 -0.12 0.08 -0.04 1.87 1.55 3koyB1 LYS 635 HB3 -0.52 0.31 -0.01 -0.04 1.79 1.54 3koyB1 LYS 635 HG2 -0.73 0.06 -0.41 -0.04 1.46 0.33 3koyB1 LYS 635 HG3 -0.25 -0.00 -0.02 -0.04 1.46 1.14 3koyB1 LYS 635 HD2 -0.28 -0.06 0.02 -0.04 1.69 1.32 3koyB1 LYS 635 HD3 -0.89 0.04 -0.10 -0.04 1.68 0.69 3koyB1 LYS 635 HE2 -0.09 0.01 -0.07 -0.04 2.99 2.80 3koyB1 LYS 635 HE3 -0.11 0.02 -0.03 -0.04 2.99 2.83 3koyB1 TYR 636 H -0.11 0.25 -0.57 -0.55 8.29 7.31 3koyB1 TYR 636 HA -0.00 0.11 0.37 -0.75 4.56 4.28 3koyB1 TYR 636 HB2 -0.00 0.09 0.02 -0.04 3.06 3.13 3koyB1 TYR 636 HB3 -0.00 0.00 -0.02 -0.04 2.98 2.92 3koyB1 TYR 636 HD2 -0.00 0.05 -0.13 -0.04 7.15 7.03 3koyB1 TYR 636 HE2 -0.01 -0.07 -0.20 -0.04 6.85 6.53 3koyB1 GLY 637 H 0.02 0.27 -0.46 -0.55 8.43 7.71 3koyB1 GLY 637 HA2 0.02 0.04 0.21 -0.51 4.01 3.76 3koyB1 GLY 637 HA3 0.04 0.15 0.60 -0.51 4.01 4.29 3koyB1 VAL 638 H 0.05 0.18 -0.06 -0.55 8.24 7.86 3koyB1 VAL 638 HA 0.04 0.17 0.58 -0.75 4.13 4.16 3koyB1 VAL 638 HB 0.04 -0.12 -0.20 -0.04 2.12 1.80 3koyB1 VAL 638 HG13 0.04 -0.01 -0.46 -0.04 0.97 0.49 3koyB1 VAL 638 HG23 0.07 -0.00 -0.12 -0.04 0.95 0.85 3koyB1 GLU 639 H 0.03 0.63 0.32 -0.55 8.60 9.03 3koyB1 GLU 639 HA -0.02 0.02 0.69 -0.75 4.29 4.22 3koyB1 GLU 639 HB2 0.03 0.07 0.15 -0.04 2.09 2.29 3koyB1 GLU 639 HB3 0.06 0.02 0.31 -0.04 1.99 2.35 3koyB1 GLU 639 HG2 0.06 -0.06 -0.20 -0.04 2.34 2.11 3koyB1 GLU 639 HG3 -0.06 -0.02 0.03 -0.04 2.34 2.25 3koyB1 VAL 640 H -0.06 0.18 0.15 -0.55 8.24 7.97 3koyB1 VAL 640 HA 0.05 0.17 0.86 -0.75 4.13 4.46 3koyB1 VAL 640 HB -0.03 -0.01 0.02 -0.04 2.12 2.05 3koyB1 VAL 640 HG13 0.03 -0.04 -0.34 -0.04 0.97 0.57 3koyB1 VAL 640 HG23 0.01 0.00 -0.26 -0.04 0.95 0.66 3koyB1 HIS 641 H 0.17 0.53 0.10 -0.55 8.41 8.66 3koyB1 HIS 641 HA 0.06 0.11 0.83 -0.75 4.63 4.88 3koyB1 HIS 641 HB2 0.04 0.14 0.30 -0.04 3.26 3.70 3koyB1 HIS 641 HB3 0.03 -0.04 0.03 -0.04 3.20 3.19 3koyB1 HIS 641 HD2 0.03 0.02 -0.25 -0.04 6.97 6.72 3koyB1 HIS 641 HE1 0.01 -0.02 -0.02 -0.04 7.75 7.68 3koyB1 TYR 642 H 0.17 0.19 0.05 -0.55 8.29 8.15 3koyB1 TYR 642 HA 0.03 0.17 0.70 -0.75 4.56 4.71 3koyB1 TYR 642 HB2 -0.00 0.00 -0.03 -0.04 3.06 2.99 3koyB1 TYR 642 HB3 0.00 0.04 0.06 -0.04 2.98 3.04 3koyB1 TYR 642 HD2 0.01 0.10 -0.09 -0.04 7.15 7.13 3koyB1 TYR 642 HE2 0.01 -0.01 -0.10 -0.04 6.85 6.71 3koyB1 LEU 643 H -0.38 0.37 0.39 -0.55 8.37 8.19 3koyB1 LEU 643 HA -0.13 0.21 0.84 -0.75 4.35 4.52 3koyB1 LEU 643 HB2 -0.13 0.01 0.04 -0.04 1.64 1.52 3koyB1 LEU 643 HB3 -0.09 -0.02 0.08 -0.04 1.64 1.57 3koyB1 LEU 643 HG -0.00 0.08 -0.02 -0.04 1.64 1.65 3koyB1 LEU 643 HD13 -0.02 -0.02 -0.11 -0.04 0.93 0.74 3koyB1 LEU 643 HD23 0.02 -0.01 -0.35 -0.04 0.89 0.51 3koyB1 GLY 644 H -1.52 -0.06 0.10 -0.55 8.43 6.41 3koyB1 GLY 644 HA2 -0.56 -0.05 0.29 -0.51 4.01 3.19 3koyB1 GLY 644 HA3 -0.25 0.24 0.65 -0.51 4.01 4.14 3koyB1 THR 645 H -0.06 0.09 0.15 -0.55 8.28 7.91 3koyB1 THR 645 HA -0.01 0.07 0.84 -0.75 4.39 4.53 3koyB1 THR 645 HB -0.02 0.17 0.27 -0.04 4.32 4.71 3koyB1 THR 645 HG23 0.05 0.04 -0.29 -0.04 1.22 0.98 3koyB1 SER 646 H -0.01 0.37 0.17 -0.55 8.46 8.44 3koyB1 SER 646 HA -0.01 -0.03 0.29 -0.75 4.49 3.98 3koyB1 SER 646 HB2 -0.03 -0.04 -0.46 -0.04 3.95 3.38 3koyB1 SER 646 HB3 -0.02 0.04 0.19 -0.04 3.93 4.10 3koyB1 VAL 647 H -0.02 0.37 -0.18 -0.55 8.24 7.86 3koyB1 VAL 647 HA -0.02 0.21 0.73 -0.75 4.13 4.29 3koyB1 VAL 647 HB -0.03 -0.08 -0.13 -0.04 2.12 1.85 3koyB1 VAL 647 HG13 -0.02 0.04 -0.23 -0.04 0.97 0.71 3koyB1 VAL 647 HG23 -0.07 0.02 -0.26 -0.04 0.95 0.60 3koyB1 PRO 648 HA 0.00 -0.00 0.57 -0.51 4.44 4.50 3koyB1 PRO 648 HB2 -0.00 -0.14 0.09 -0.04 2.28 2.19 3koyB1 PRO 648 HB3 0.00 0.02 0.13 -0.04 2.02 2.13 3koyB1 PRO 648 HG2 -0.01 0.07 0.12 -0.04 2.03 2.17 3koyB1 PRO 648 HG3 -0.00 0.06 0.11 -0.04 2.03 2.16 3koyB1 PRO 648 HD2 -0.01 0.11 0.29 -0.04 3.68 4.02 3koyB1 PRO 648 HD3 -0.01 0.50 0.31 -0.04 3.65 4.40 3koyB1 VAL 649 H 0.01 0.15 0.18 -0.55 8.24 8.02 3koyB1 VAL 649 HA 0.02 0.15 0.23 -0.75 4.13 3.76 3koyB1 VAL 649 HB 0.02 -0.04 0.12 -0.04 2.12 2.18 3koyB1 VAL 649 HG13 0.02 -0.00 -0.36 -0.04 0.97 0.59 3koyB1 VAL 649 HG23 0.03 0.02 0.04 -0.04 0.95 0.99 3koyB1 GLU 650 H 0.01 0.06 -0.15 -0.55 8.60 7.97 3koyB1 GLU 650 HA 0.01 0.17 0.62 -0.75 4.29 4.33 3koyB1 GLU 650 HB2 0.00 0.03 0.04 -0.04 2.09 2.12 3koyB1 GLU 650 HB3 0.00 0.00 -0.00 -0.04 1.99 1.95 3koyB1 GLU 650 HG2 -0.00 -0.08 -0.08 -0.04 2.34 2.14 3koyB1 GLU 650 HG3 -0.00 0.08 -0.01 -0.04 2.34 2.37 3koyB1 LYS 651 H -0.00 0.02 -0.24 -0.55 8.42 7.65 3koyB1 LYS 651 HA -0.01 0.05 0.35 -0.75 4.32 3.97 3koyB1 LYS 651 HB2 -0.01 -0.12 0.10 -0.04 1.87 1.80 3koyB1 LYS 651 HB3 -0.01 0.16 -0.02 -0.04 1.79 1.88 3koyB1 LYS 651 HG2 -0.02 0.04 0.01 -0.04 1.46 1.46 3koyB1 LYS 651 HG3 -0.01 0.02 -0.02 -0.04 1.46 1.40 3koyB1 LYS 651 HD2 -0.01 -0.05 0.05 -0.04 1.69 1.63 3koyB1 LYS 651 HD3 -0.01 0.04 0.03 -0.04 1.68 1.69 3koyB1 LYS 651 HE2 -0.01 0.04 0.01 -0.04 2.99 2.98 3koyB1 LYS 651 HE3 -0.01 0.01 0.06 -0.04 2.99 3.01 3koyB1 LEU 652 H 0.00 0.26 -0.66 -0.55 8.37 7.42 3koyB1 LEU 652 HA 0.00 0.06 0.30 -0.75 4.35 3.96 3koyB1 LEU 652 HB2 0.01 -0.01 -0.11 -0.04 1.64 1.49 3koyB1 LEU 652 HB3 0.02 0.17 -0.02 -0.04 1.64 1.77 3koyB1 LEU 652 HG 0.03 0.02 -0.28 -0.04 1.64 1.37 3koyB1 LEU 652 HD13 0.03 -0.01 -0.21 -0.04 0.93 0.70 3koyB1 LEU 652 HD23 0.04 -0.00 -0.16 -0.04 0.89 0.72 3koyB1 VAL 653 H 0.01 0.21 -0.04 -0.55 8.24 7.87 3koyB1 VAL 653 HA 0.01 0.08 0.45 -0.75 4.13 3.92 3koyB1 VAL 653 HB 0.00 -0.00 -0.02 -0.04 2.12 2.06 3koyB1 VAL 653 HG13 0.00 0.01 -0.15 -0.04 0.97 0.79 3koyB1 VAL 653 HG23 0.01 0.04 0.08 -0.04 0.95 1.04 3koyB1 ASP 654 H -0.00 0.92 -0.05 -0.55 8.40 8.72 3koyB1 ASP 654 HA -0.01 0.03 0.41 -0.75 4.63 4.31 3koyB1 ASP 654 HB2 -0.01 0.12 0.07 -0.04 2.71 2.85 3koyB1 ASP 654 HB3 -0.01 -0.00 -0.07 -0.04 2.70 2.58 3koyB1 ALA 655 H -0.01 0.45 -0.29 -0.55 8.40 8.00 3koyB1 ALA 655 HA -0.03 -0.01 0.36 -0.75 4.34 3.91 3koyB1 ALA 655 HB3 -0.01 0.02 0.07 -0.04 1.41 1.45 3koyB1 ALA 656 H -0.00 0.51 -0.17 -0.55 8.40 8.19 3koyB1 ALA 656 HA -0.01 -0.02 0.41 -0.75 4.34 3.96 3koyB1 ALA 656 HB3 0.01 0.04 0.04 -0.04 1.41 1.46 3koyB1 ILE 657 H -0.01 0.45 -0.33 -0.55 8.25 7.81 3koyB1 ILE 657 HA -0.01 0.08 0.31 -0.75 4.18 3.81 3koyB1 ILE 657 HB -0.01 0.05 0.12 -0.04 1.89 2.01 3koyB1 ILE 657 HG12 -0.00 -0.05 -0.03 -0.04 1.49 1.37 3koyB1 ILE 657 HG13 -0.01 0.47 0.13 -0.04 1.21 1.77 3koyB1 ILE 657 HG23 -0.01 -0.01 -0.02 -0.04 0.93 0.85 3koyB1 ILE 657 HD13 -0.01 -0.04 -0.05 -0.04 0.88 0.74 3koyB1 GLU 658 H -0.02 0.47 -0.04 -0.55 8.60 8.47 3koyB1 GLU 658 HA -0.02 0.01 0.30 -0.75 4.29 3.83 3koyB1 GLU 658 HB2 -0.02 -0.01 0.08 -0.04 2.09 2.10 3koyB1 GLU 658 HB3 -0.04 0.04 0.13 -0.04 1.99 2.07 3koyB1 GLU 658 HG2 -0.04 0.04 -0.23 -0.04 2.34 2.07 3koyB1 GLU 658 HG3 -0.02 -0.03 0.03 -0.04 2.34 2.27 3koyB1 LEU 659 H -0.06 0.45 -0.26 -0.55 8.37 7.96 3koyB1 LEU 659 HA -0.09 0.06 0.46 -0.75 4.35 4.04 3koyB1 LEU 659 HB2 -0.14 0.01 -0.07 -0.04 1.64 1.39 3koyB1 LEU 659 HB3 -0.29 -0.05 0.03 -0.04 1.64 1.29 3koyB1 LEU 659 HG -0.11 0.33 0.10 -0.04 1.64 1.93 3koyB1 LEU 659 HD13 -0.34 -0.04 -0.07 -0.04 0.93 0.44 3koyB1 LEU 659 HD23 -0.15 -0.03 -0.11 -0.04 0.89 0.56 3koyB1 LYS 660 H -0.03 0.33 -0.64 -0.55 8.42 7.52 3koyB1 LYS 660 HA -0.01 0.07 0.33 -0.75 4.32 3.95 3koyB1 LYS 660 HB2 -0.01 -0.03 0.14 -0.04 1.87 1.94 3koyB1 LYS 660 HB3 -0.01 -0.03 -0.05 -0.04 1.79 1.65 3koyB1 LYS 660 HG2 -0.01 0.01 -0.04 -0.04 1.46 1.39 3koyB1 LYS 660 HG3 -0.00 0.01 0.26 -0.04 1.46 1.69 3koyB1 LYS 660 HD2 -0.00 -0.05 0.03 -0.04 1.69 1.62 3koyB1 LYS 660 HD3 0.00 -0.06 0.03 -0.04 1.68 1.61 3koyB1 LYS 660 HE2 0.00 0.07 0.07 -0.04 2.99 3.09 3koyB1 LYS 660 HE3 0.00 -0.06 0.03 -0.04 2.99 2.93 3koyB1 ALA 661 H -0.02 0.55 0.02 -0.55 8.40 8.41 3koyB1 ALA 661 HA 0.01 0.02 0.20 -0.75 4.34 3.81 3koyB1 ALA 661 HB3 0.01 -0.04 0.09 -0.04 1.41 1.43 3koyB1 ASP 662 H 0.03 0.41 0.36 -0.55 8.40 8.65 3koyB1 ASP 662 HA 0.01 0.28 0.97 -0.75 4.63 5.14 3koyB1 ASP 662 HB2 0.02 -0.13 0.28 -0.04 2.71 2.83 3koyB1 ASP 662 HB3 0.00 -0.02 0.17 -0.04 2.70 2.81 3koyB1 ALA 663 H 0.04 0.17 0.19 -0.55 8.40 8.25 3koyB1 ALA 663 HA 0.07 0.14 0.67 -0.75 4.34 4.46 3koyB1 ALA 663 HB3 0.08 0.03 -0.10 -0.04 1.41 1.38 3koyB1 ILE 664 H 0.11 0.72 0.39 -0.55 8.25 8.92 3koyB1 ILE 664 HA 0.08 0.21 0.97 -0.75 4.18 4.68 3koyB1 ILE 664 HB 0.08 -0.05 0.09 -0.04 1.89 1.97 3koyB1 ILE 664 HG12 0.05 0.08 -0.21 -0.04 1.49 1.37 3koyB1 ILE 664 HG13 0.06 0.08 -0.22 -0.04 1.21 1.08 3koyB1 ILE 664 HG23 0.06 -0.03 -0.17 -0.04 0.93 0.76 3koyB1 ILE 664 HD13 0.04 -0.01 -0.16 -0.04 0.88 0.71 3koyB1 LEU 665 H 0.08 0.47 0.26 -0.55 8.37 8.63 3koyB1 LEU 665 HA 0.09 0.42 0.93 -0.75 4.35 5.03 3koyB1 LEU 665 HB2 0.06 -0.08 0.11 -0.04 1.64 1.70 3koyB1 LEU 665 HB3 0.03 -0.05 -0.08 -0.04 1.64 1.51 3koyB1 LEU 665 HG 0.11 0.00 -0.61 -0.04 1.64 1.10 3koyB1 LEU 665 HD13 0.05 -0.00 -0.20 -0.04 0.93 0.75 3koyB1 LEU 665 HD23 0.08 0.00 -0.11 -0.04 0.89 0.82 3koyB1 ALA 666 H 0.07 0.66 0.39 -0.55 8.40 8.98 3koyB1 ALA 666 HA 0.06 0.22 1.15 -0.75 4.34 5.02 3koyB1 ALA 666 HB3 0.06 -0.00 0.02 -0.04 1.41 1.44 3koyB1 SER 667 H 0.06 0.54 0.36 -0.55 8.46 8.87 3koyB1 SER 667 HA 0.04 0.36 1.00 -0.75 4.49 5.14 3koyB1 SER 667 HB2 0.06 0.01 -0.04 -0.04 3.95 3.93 3koyB1 SER 667 HB3 0.07 -0.05 0.05 -0.04 3.93 3.97 3koyB1 THR 668 H 0.02 0.34 0.14 -0.55 8.28 8.24 3koyB1 THR 668 HA 0.05 0.06 0.77 -0.75 4.39 4.51 3koyB1 THR 668 HB 0.04 0.06 -0.45 -0.04 4.32 3.92 3koyB1 THR 668 HG23 -0.01 0.06 -0.06 -0.04 1.22 1.17 3koyB1 ILE 669 H 0.07 0.11 0.13 -0.55 8.25 8.00 3koyB1 ILE 669 HA -0.06 -0.01 0.47 -0.75 4.18 3.83 3koyB1 ILE 669 HB 0.23 -0.06 0.15 -0.04 1.89 2.17 3koyB1 ILE 669 HG12 0.08 0.07 0.01 -0.04 1.49 1.62 3koyB1 ILE 669 HG13 0.07 -0.02 -0.01 -0.04 1.21 1.21 3koyB1 ILE 669 HG23 -0.33 -0.01 -0.06 -0.04 0.93 0.49 3koyB1 ILE 669 HD13 -0.01 -0.01 -0.10 -0.04 0.88 0.72 3koyB1 ILE 670 H 0.13 0.02 0.10 -0.55 8.25 7.96 3koyB1 ILE 670 HA 0.07 0.06 0.58 -0.75 4.18 4.14 3koyB1 ILE 670 HB 0.10 0.03 0.05 -0.04 1.89 2.03 3koyB1 ILE 670 HG12 0.22 0.03 0.09 -0.04 1.49 1.79 3koyB1 ILE 670 HG13 0.20 -0.15 0.12 -0.04 1.21 1.34 3koyB1 ILE 670 HG23 0.12 0.02 -0.00 -0.04 0.93 1.02 3koyB1 ILE 670 HD13 0.02 0.04 0.08 -0.04 0.88 0.98 3koyB1 SER 671 H 0.06 0.04 0.24 -0.55 8.46 8.25 3koyB1 SER 671 HA 0.30 0.15 0.82 -0.75 4.49 5.01 3koyB1 SER 671 HB2 -0.26 0.03 0.08 -0.04 3.95 3.75 3koyB1 SER 671 HB3 -0.39 0.10 -0.08 -0.04 3.93 3.52 3koyB1 HIS 672 H 0.21 0.00 0.15 -0.55 8.41 8.22 3koyB1 HIS 672 HA 0.08 0.06 0.48 -0.75 4.63 4.50 3koyB1 HIS 672 HB2 0.04 0.07 0.13 -0.04 3.26 3.46 3koyB1 HIS 672 HB3 0.05 -0.05 0.20 -0.04 3.20 3.35 3koyB1 HIS 672 HD2 0.03 0.02 0.01 -0.04 6.97 6.99 3koyB1 HIS 672 HE1 0.02 0.03 -0.04 -0.04 7.75 7.72 3koyB1 ASP 673 H -0.15 0.19 0.25 -0.55 8.40 8.14 3koyB1 ASP 673 HA -0.21 0.09 0.35 -0.75 4.63 4.10 3koyB1 ASP 673 HB2 -0.45 0.15 -0.02 -0.04 2.71 2.34 3koyB1 ASP 673 HB3 -0.11 -0.05 0.19 -0.04 2.70 2.69 3koyB1 ASP 674 H 0.04 0.35 0.06 -0.55 8.40 8.31 3koyB1 ASP 674 HA -0.16 0.09 0.36 -0.75 4.63 4.17 3koyB1 ASP 674 HB2 -0.04 0.29 0.07 -0.04 2.71 2.99 3koyB1 ASP 674 HB3 -0.05 -0.08 0.29 -0.04 2.70 2.82 3koyB1 ILE 675 H 0.04 0.23 -0.55 -0.55 8.25 7.41 3koyB1 ILE 675 HA 0.00 0.10 0.28 -0.75 4.18 3.81 3koyB1 ILE 675 HB 0.03 0.07 0.00 -0.04 1.89 1.96 3koyB1 ILE 675 HG12 0.06 -0.03 -0.07 -0.04 1.49 1.41 3koyB1 ILE 675 HG13 0.06 0.02 -0.26 -0.04 1.21 0.98 3koyB1 ILE 675 HG23 0.11 0.08 -0.25 -0.04 0.93 0.83 3koyB1 ILE 675 HD13 0.03 -0.01 0.03 -0.04 0.88 0.89 3koyB1 HIS 676 H 0.00 0.02 -0.61 -0.55 8.41 7.28 3koyB1 HIS 676 HA -0.04 0.09 0.33 -0.75 4.63 4.26 3koyB1 HIS 676 HB2 -0.18 0.06 -0.11 -0.04 3.26 2.99 3koyB1 HIS 676 HB3 -0.07 0.28 -0.10 -0.04 3.20 3.26 3koyB1 HIS 676 HD2 -0.99 0.00 -0.25 -0.04 6.97 5.70 3koyB1 HIS 676 HE1 0.06 0.05 0.13 -0.04 7.75 7.94 3koyB1 TYR 677 H -0.49 0.16 -0.09 -0.55 8.29 7.32 3koyB1 TYR 677 HA -0.05 0.13 0.63 -0.75 4.56 4.52 3koyB1 TYR 677 HB2 -0.23 0.04 0.10 -0.04 3.06 2.92 3koyB1 TYR 677 HB3 -0.10 0.10 -0.01 -0.04 2.98 2.93 3koyB1 TYR 677 HD2 -0.23 0.01 -0.05 -0.04 7.15 6.84 3koyB1 TYR 677 HE2 0.12 -0.00 -0.05 -0.04 6.85 6.88 3koyB1 LYS 678 H -0.02 0.42 -0.18 -0.55 8.42 8.09 3koyB1 LYS 678 HA 0.02 0.10 0.43 -0.75 4.32 4.12 3koyB1 LYS 678 HB2 -0.00 0.01 0.10 -0.04 1.87 1.94 3koyB1 LYS 678 HB3 0.01 -0.04 -0.04 -0.04 1.79 1.68 3koyB1 LYS 678 HG2 -0.00 -0.01 0.02 -0.04 1.46 1.43 3koyB1 LYS 678 HG3 -0.01 0.07 0.01 -0.04 1.46 1.49 3koyB1 LYS 678 HD2 -0.01 -0.06 -0.16 -0.04 1.69 1.41 3koyB1 LYS 678 HD3 -0.00 -0.04 -0.04 -0.04 1.68 1.56 3koyB1 LYS 678 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.90 3koyB1 LYS 678 HE3 -0.02 0.02 0.00 -0.04 2.99 2.95 3koyB1 ASN 679 H 0.02 0.48 -0.19 -0.55 8.53 8.30 3koyB1 ASN 679 HA 0.03 -0.02 0.31 -0.75 4.76 4.32 3koyB1 ASN 679 HB2 0.03 0.15 0.06 -0.04 2.88 3.09 3koyB1 ASN 679 HB3 0.03 -0.03 -0.06 -0.04 2.79 2.70 3koyB1 ASN 679 HD21 0.03 -0.13 -0.04 -0.04 7.03 6.85 3koyB1 ASN 679 HD22 0.04 0.07 -0.09 -0.04 7.74 7.72 3koyB1 MET 680 H 0.05 0.25 -0.62 -0.55 8.47 7.60 3koyB1 MET 680 HA 0.06 0.02 0.45 -0.75 4.52 4.30 3koyB1 MET 680 HB2 0.08 0.17 -0.01 -0.04 2.15 2.34 3koyB1 MET 680 HB3 0.06 -0.02 -0.02 -0.04 2.03 2.02 3koyB1 MET 680 HG2 0.05 -0.07 -0.06 -0.04 2.63 2.50 3koyB1 MET 680 HG3 0.03 0.26 0.08 -0.04 2.56 2.89 3koyB1 MET 680 HE3 -0.06 0.01 -0.18 -0.04 2.10 1.83 3koyB1 LYS 681 H 0.05 0.35 -0.24 -0.55 8.42 8.03 3koyB1 LYS 681 HA 0.07 0.30 0.54 -0.75 4.32 4.48 3koyB1 LYS 681 HB2 0.04 0.09 0.28 -0.04 1.87 2.24 3koyB1 LYS 681 HB3 0.04 -0.09 0.13 -0.04 1.79 1.83 3koyB1 LYS 681 HG2 0.05 -0.04 0.04 -0.04 1.46 1.46 3koyB1 LYS 681 HG3 0.02 0.10 0.13 -0.04 1.46 1.66 3koyB1 LYS 681 HD2 0.00 0.01 0.02 -0.04 1.69 1.68 3koyB1 LYS 681 HD3 0.01 -0.02 0.04 -0.04 1.68 1.67 3koyB1 LYS 681 HE2 0.01 -0.04 0.00 -0.04 2.99 2.92 3koyB1 LYS 681 HE3 0.02 -0.02 0.01 -0.04 2.99 2.96 3koyB1 ARG 682 H 0.04 0.35 -0.04 -0.55 8.46 8.26 3koyB1 ARG 682 HA 0.04 0.03 0.34 -0.75 4.34 4.00 3koyB1 ARG 682 HB2 0.03 0.07 0.06 -0.04 1.90 2.03 3koyB1 ARG 682 HB3 0.02 -0.07 -0.04 -0.04 1.80 1.67 3koyB1 ARG 682 HG2 0.02 -0.03 0.00 -0.04 1.67 1.62 3koyB1 ARG 682 HG3 0.03 0.03 0.02 -0.04 1.67 1.71 3koyB1 ARG 682 HD2 0.03 0.18 -0.24 -0.04 3.22 3.14 3koyB1 ARG 682 HD3 0.02 -0.07 -0.03 -0.04 3.22 3.10 3koyB1 ILE 683 H 0.06 0.38 -0.41 -0.55 8.25 7.73 3koyB1 ILE 683 HA 0.03 -0.00 0.36 -0.75 4.18 3.82 3koyB1 ILE 683 HB 0.07 0.11 0.09 -0.04 1.89 2.12 3koyB1 ILE 683 HG12 0.04 -0.02 0.00 -0.04 1.49 1.47 3koyB1 ILE 683 HG13 0.04 0.09 0.08 -0.04 1.21 1.38 3koyB1 ILE 683 HG23 0.06 -0.00 -0.19 -0.04 0.93 0.76 3koyB1 ILE 683 HD13 0.05 -0.04 -0.10 -0.04 0.88 0.75 3koyB1 HIS 684 H 0.16 0.54 -0.09 -0.55 8.41 8.48 3koyB1 HIS 684 HA 0.03 0.03 0.32 -0.75 4.63 4.26 3koyB1 HIS 684 HB2 0.03 -0.09 -0.08 -0.04 3.26 3.08 3koyB1 HIS 684 HB3 0.03 0.24 0.21 -0.04 3.20 3.63 3koyB1 HIS 684 HD2 0.01 0.00 -0.04 -0.04 6.97 6.90 3koyB1 HIS 684 HE1 0.02 0.04 0.04 -0.04 7.75 7.81 3koyB1 GLU 685 H 0.07 0.51 -0.24 -0.55 8.60 8.39 3koyB1 GLU 685 HA -0.22 0.05 0.38 -0.75 4.29 3.75 3koyB1 GLU 685 HB2 0.03 0.02 0.08 -0.04 2.09 2.18 3koyB1 GLU 685 HB3 0.00 -0.06 -0.03 -0.04 1.99 1.87 3koyB1 GLU 685 HG2 0.14 -0.02 0.00 -0.04 2.34 2.42 3koyB1 GLU 685 HG3 0.20 0.25 0.06 -0.04 2.34 2.82 3koyB1 LEU 686 H -0.01 0.69 -0.03 -0.55 8.37 8.47 3koyB1 LEU 686 HA -0.02 0.00 0.43 -0.75 4.35 4.01 3koyB1 LEU 686 HB2 -0.00 0.18 0.15 -0.04 1.64 1.93 3koyB1 LEU 686 HB3 -0.01 -0.06 -0.07 -0.04 1.64 1.47 3koyB1 LEU 686 HG 0.00 0.03 0.05 -0.04 1.64 1.68 3koyB1 LEU 686 HD13 0.01 -0.05 -0.19 -0.04 0.93 0.66 3koyB1 LEU 686 HD23 -0.00 -0.01 -0.00 -0.04 0.89 0.83 3koyB1 ALA 687 H -0.06 0.46 -0.51 -0.55 8.40 7.75 3koyB1 ALA 687 HA -0.03 0.03 0.35 -0.75 4.34 3.94 3koyB1 ALA 687 HB3 -0.03 0.06 -0.01 -0.04 1.41 1.38 3koyB1 VAL 688 H -0.16 0.35 -0.23 -0.55 8.24 7.64 3koyB1 VAL 688 HA -0.08 -0.00 0.67 -0.75 4.13 3.96 3koyB1 VAL 688 HB -0.34 0.16 0.17 -0.04 2.12 2.06 3koyB1 VAL 688 HG13 -0.07 0.05 -0.04 -0.04 0.97 0.86 3koyB1 VAL 688 HG23 -0.06 0.00 0.03 -0.04 0.95 0.88 3koyB1 GLU 689 H -0.06 0.58 -0.07 -0.55 8.60 8.51 3koyB1 GLU 689 HA -0.02 0.06 0.45 -0.75 4.29 4.03 3koyB1 GLU 689 HB2 -0.02 -0.04 0.08 -0.04 2.09 2.07 3koyB1 GLU 689 HB3 -0.03 0.09 0.15 -0.04 1.99 2.16 3koyB1 GLU 689 HG2 -0.01 0.03 0.16 -0.04 2.34 2.47 3koyB1 GLU 689 HG3 -0.01 -0.03 0.11 -0.04 2.34 2.37 3koyB1 LYS 690 H -0.03 -0.03 -0.98 -0.55 8.42 6.82 3koyB1 LYS 690 HA -0.01 0.16 0.77 -0.75 4.32 4.48 3koyB1 LYS 690 HB2 -0.02 -0.02 -0.02 -0.04 1.87 1.77 3koyB1 LYS 690 HB3 -0.01 -0.02 0.09 -0.04 1.79 1.81 3koyB1 LYS 690 HG2 -0.02 0.16 -0.37 -0.04 1.46 1.20 3koyB1 LYS 690 HG3 -0.01 -0.08 -0.12 -0.04 1.46 1.20 3koyB1 LYS 690 HD2 -0.01 -0.04 -0.00 -0.04 1.69 1.60 3koyB1 LYS 690 HD3 -0.01 0.11 0.03 -0.04 1.68 1.77 3koyB1 LYS 690 HE2 -0.01 -0.05 -0.03 -0.04 2.99 2.86 3koyB1 LYS 690 HE3 -0.01 -0.00 -0.06 -0.04 2.99 2.88 3koyB1 GLY 691 H -0.02 0.21 -0.11 -0.55 8.43 7.96 3koyB1 GLY 691 HA2 -0.01 0.05 0.37 -0.51 4.01 3.91 3koyB1 GLY 691 HA3 -0.01 0.16 0.60 -0.51 4.01 4.25 3koyB1 ILE 692 H -0.01 0.12 -0.32 -0.55 8.25 7.49 3koyB1 ILE 692 HA -0.00 0.13 0.30 -0.75 4.18 3.86 3koyB1 ILE 692 HB 0.00 0.02 -0.05 -0.04 1.89 1.82 3koyB1 ILE 692 HG12 -0.01 -0.06 -0.00 -0.04 1.49 1.37 3koyB1 ILE 692 HG13 -0.01 0.05 -0.08 -0.04 1.21 1.13 3koyB1 ILE 692 HG23 -0.00 0.03 -0.07 -0.04 0.93 0.85 3koyB1 ILE 692 HD13 -0.00 -0.02 -0.10 -0.04 0.88 0.72 3koyB1 ARG 693 H -0.02 0.27 -0.17 -0.55 8.46 7.98 3koyB1 ARG 693 HA 0.00 0.03 0.03 -0.75 4.34 3.65 3koyB1 ARG 693 HB2 -0.09 -0.12 -1.06 -0.04 1.90 0.59 3koyB1 ARG 693 HB3 -0.05 -0.02 -0.05 -0.04 1.80 1.64 3koyB1 ARG 693 HG2 -0.30 -0.00 0.02 -0.04 1.67 1.34 3koyB1 ARG 693 HG3 0.02 0.03 0.12 -0.04 1.67 1.80 3koyB1 ARG 693 HD2 0.03 0.06 0.04 -0.04 3.22 3.31 3koyB1 ARG 693 HD3 -0.06 -0.02 0.01 -0.04 3.22 3.11 3koyB1 ASP 694 H 0.01 0.11 -0.77 -0.55 8.40 7.20 3koyB1 ASP 694 HA 0.03 0.20 0.71 -0.75 4.63 4.82 3koyB1 ASP 694 HB2 0.02 0.01 0.20 -0.04 2.71 2.90 3koyB1 ASP 694 HB3 0.03 0.01 -0.05 -0.04 2.70 2.64 3koyB1 LYS 695 H 0.01 0.68 0.26 -0.55 8.42 8.82 3koyB1 LYS 695 HA 0.01 0.20 0.67 -0.75 4.32 4.44 3koyB1 LYS 695 HB2 0.01 -0.07 0.04 -0.04 1.87 1.80 3koyB1 LYS 695 HB3 0.01 -0.00 0.16 -0.04 1.79 1.91 3koyB1 LYS 695 HG2 0.00 0.02 0.17 -0.04 1.46 1.61 3koyB1 LYS 695 HG3 0.00 0.07 0.17 -0.04 1.46 1.67 3koyB1 LYS 695 HD2 0.00 -0.03 0.05 -0.04 1.69 1.67 3koyB1 LYS 695 HD3 0.00 -0.02 0.06 -0.04 1.68 1.68 3koyB1 LYS 695 HE2 0.00 -0.06 0.02 -0.04 2.99 2.90 3koyB1 LYS 695 HE3 0.00 0.03 0.03 -0.04 2.99 3.02 3koyB1 ILE 696 H 0.03 0.19 -0.02 -0.55 8.25 7.90 3koyB1 ILE 696 HA 0.02 0.28 0.62 -0.75 4.18 4.35 3koyB1 ILE 696 HB 0.02 0.06 -0.27 -0.04 1.89 1.65 3koyB1 ILE 696 HG12 0.05 0.06 -0.27 -0.04 1.49 1.30 3koyB1 ILE 696 HG13 0.03 0.09 -0.43 -0.04 1.21 0.86 3koyB1 ILE 696 HG23 0.03 -0.01 -0.31 -0.04 0.93 0.60 3koyB1 ILE 696 HD13 0.03 -0.04 -0.27 -0.04 0.88 0.56 3koyB1 MET 697 H 0.05 0.49 0.22 -0.55 8.47 8.68 3koyB1 MET 697 HA 0.12 0.18 0.89 -0.75 4.52 4.95 3koyB1 MET 697 HB2 0.06 -0.04 0.12 -0.04 2.15 2.26 3koyB1 MET 697 HB3 0.19 -0.05 -0.02 -0.04 2.03 2.10 3koyB1 MET 697 HG2 -0.02 0.05 -0.10 -0.04 2.63 2.52 3koyB1 MET 697 HG3 -0.01 0.03 -0.11 -0.04 2.56 2.43 3koyB1 MET 697 HE3 -0.06 0.02 0.00 -0.04 2.10 2.02 3koyB1 ILE 698 H 0.20 0.20 0.21 -0.55 8.25 8.31 3koyB1 ILE 698 HA 0.15 0.25 1.15 -0.75 4.18 4.97 3koyB1 ILE 698 HB 0.13 -0.13 0.15 -0.04 1.89 2.00 3koyB1 ILE 698 HG12 0.10 0.08 -0.30 -0.04 1.49 1.32 3koyB1 ILE 698 HG13 0.11 0.11 -0.24 -0.04 1.21 1.15 3koyB1 ILE 698 HG23 0.10 -0.02 -0.16 -0.04 0.93 0.80 3koyB1 ILE 698 HD13 0.10 -0.01 -0.20 -0.04 0.88 0.72 3koyB1 GLY 699 H 0.15 0.74 0.33 -0.55 8.43 9.11 3koyB1 GLY 699 HA2 0.02 0.22 0.92 -0.51 4.01 4.66 3koyB1 GLY 699 HA3 0.10 0.01 0.34 -0.51 4.01 3.95 3koyB1 CYS 700 H 0.13 0.73 0.36 -0.55 8.50 9.18 3koyB1 CYS 700 HA 0.09 0.21 0.97 -0.75 4.58 5.10 3koyB1 CYS 700 HB2 0.06 -0.04 -0.01 -0.04 2.97 2.94 3koyB1 CYS 700 HB3 0.06 -0.00 0.11 -0.04 2.97 3.09 3koyB1 GLY 701 H 0.07 0.53 0.38 -0.55 8.43 8.86 3koyB1 GLY 701 HA2 0.11 0.05 0.70 -0.51 4.01 4.36 3koyB1 GLY 701 HA3 0.15 0.03 0.33 -0.51 4.01 4.01 3koyB1 GLY 702 H 0.03 0.81 0.36 -0.55 8.43 9.09 3koyB1 GLY 702 HA2 -0.01 -0.07 0.30 -0.51 4.01 3.72 3koyB1 GLY 702 HA3 -0.06 0.24 0.35 -0.51 4.01 4.04 3koyB1 THR 703 H -0.07 0.10 0.13 -0.55 8.28 7.89 3koyB1 THR 703 HA -0.03 0.07 0.43 -0.75 4.39 4.10 3koyB1 THR 703 HB -0.09 0.04 0.09 -0.04 4.32 4.31 3koyB1 THR 703 HG23 -0.04 0.02 0.04 -0.04 1.22 1.19 3koyB1 GLN 704 H -0.18 0.11 -0.14 -0.55 8.47 7.72 3koyB1 GLN 704 HA -0.06 0.24 0.67 -0.75 4.36 4.46 3koyB1 GLN 704 HB2 -0.50 -0.00 0.05 -0.04 2.15 1.65 3koyB1 GLN 704 HB3 -0.13 0.02 0.16 -0.04 2.02 2.03 3koyB1 GLN 704 HG2 -0.14 -0.03 -0.00 -0.04 2.40 2.18 3koyB1 GLN 704 HG3 -0.10 -0.03 0.01 -0.04 2.39 2.23 3koyB1 GLN 704 HE21 -0.03 0.06 -0.06 -0.04 6.97 6.90 3koyB1 GLN 704 HE22 -0.05 -0.05 -0.05 -0.04 7.69 7.50 3koyB1 VAL 705 H -0.07 0.42 -0.57 -0.55 8.24 7.47 3koyB1 VAL 705 HA -0.07 0.11 0.77 -0.75 4.13 4.17 3koyB1 VAL 705 HB -0.01 0.19 0.14 -0.04 2.12 2.40 3koyB1 VAL 705 HG13 0.03 -0.03 -0.37 -0.04 0.97 0.55 3koyB1 VAL 705 HG23 -0.11 -0.03 -0.28 -0.04 0.95 0.49 3koyB1 THR 706 H 0.30 0.18 0.06 -0.55 8.28 8.27 3koyB1 THR 706 HA 0.04 0.27 0.82 -0.75 4.39 4.77 3koyB1 THR 706 HB 0.14 -0.04 0.17 -0.04 4.32 4.55 3koyB1 THR 706 HG23 0.01 -0.09 -0.07 -0.04 1.22 1.04 3koyB1 PRO 707 HA -0.08 -0.02 0.17 -0.51 4.44 4.00 3koyB1 PRO 707 HB2 -0.12 0.07 -0.04 -0.04 2.28 2.15 3koyB1 PRO 707 HB3 -0.24 0.21 0.05 -0.04 2.02 2.00 3koyB1 PRO 707 HG2 -0.10 0.10 0.04 -0.04 2.03 2.03 3koyB1 PRO 707 HG3 -0.11 0.02 -0.14 -0.04 2.03 1.76 3koyB1 PRO 707 HD2 -0.03 0.10 0.16 -0.04 3.68 3.87 3koyB1 PRO 707 HD3 -0.01 0.30 0.23 -0.04 3.65 4.13 3koyB1 GLU 708 H -0.02 0.06 -0.42 -0.55 8.60 7.67 3koyB1 GLU 708 HA -0.05 0.24 0.74 -0.75 4.29 4.47 3koyB1 GLU 708 HB2 -0.03 -0.04 0.01 -0.04 2.09 1.99 3koyB1 GLU 708 HB3 -0.04 0.06 0.02 -0.04 1.99 1.99 3koyB1 GLU 708 HG2 -0.03 0.05 -0.00 -0.04 2.34 2.31 3koyB1 GLU 708 HG3 -0.05 0.08 -0.04 -0.04 2.34 2.29 3koyB1 VAL 709 H 0.02 0.17 -0.14 -0.55 8.24 7.74 3koyB1 VAL 709 HA -0.10 0.17 0.63 -0.75 4.13 4.08 3koyB1 VAL 709 HB 0.08 0.03 0.09 -0.04 2.12 2.28 3koyB1 VAL 709 HG13 -0.77 0.01 -0.03 -0.04 0.97 0.14 3koyB1 VAL 709 HG23 -0.07 -0.02 0.03 -0.04 0.95 0.86 3koyB1 ALA 710 H 0.07 0.27 -0.22 -0.55 8.40 7.97 3koyB1 ALA 710 HA 0.17 0.16 0.32 -0.75 4.34 4.24 3koyB1 ALA 710 HB3 0.12 -0.02 -0.11 -0.04 1.41 1.37 3koyB1 VAL 711 H -0.02 0.13 -0.45 -0.55 8.24 7.35 3koyB1 VAL 711 HA -0.04 0.38 0.72 -0.75 4.13 4.45 3koyB1 VAL 711 HB -0.04 0.01 0.02 -0.04 2.12 2.06 3koyB1 VAL 711 HG13 -0.03 0.03 -0.04 -0.04 0.97 0.89 3koyB1 VAL 711 HG23 -0.07 0.04 -0.08 -0.04 0.95 0.80 3koyB1 LYS 712 H -0.04 0.12 -0.46 -0.55 8.42 7.48 3koyB1 LYS 712 HA -0.06 0.11 0.52 -0.75 4.32 4.14 3koyB1 LYS 712 HB2 -0.09 0.16 0.18 -0.04 1.87 2.09 3koyB1 LYS 712 HB3 -0.07 -0.04 0.18 -0.04 1.79 1.82 3koyB1 LYS 712 HG2 -0.06 0.17 0.12 -0.04 1.46 1.65 3koyB1 LYS 712 HG3 -0.07 -0.07 0.10 -0.04 1.46 1.38 3koyB1 LYS 712 HD2 -0.04 -0.03 0.01 -0.04 1.69 1.58 3koyB1 LYS 712 HD3 -0.05 -0.01 0.02 -0.04 1.68 1.60 3koyB1 LYS 712 HE2 -0.04 0.04 -0.30 -0.04 2.99 2.64 3koyB1 LYS 712 HE3 -0.04 0.03 -0.07 -0.04 2.99 2.87 3koyB1 GLN 713 H -0.07 0.15 -0.91 -0.55 8.47 7.09 3koyB1 GLN 713 HA -0.04 0.15 0.72 -0.75 4.36 4.43 3koyB1 GLN 713 HB2 0.01 0.12 -0.16 -0.04 2.15 2.08 3koyB1 GLN 713 HB3 0.03 -0.08 -0.11 -0.04 2.02 1.82 3koyB1 GLN 713 HG2 0.01 0.09 -0.62 -0.04 2.40 1.85 3koyB1 GLN 713 HG3 0.16 -0.14 -0.09 -0.04 2.39 2.28 3koyB1 GLN 713 HE21 -0.11 -0.13 -0.02 -0.04 6.97 6.67 3koyB1 GLN 713 HE22 -0.16 0.18 -0.06 -0.04 7.69 7.62 3koyB1 GLY 714 H -0.15 0.19 0.02 -0.55 8.43 7.94 3koyB1 GLY 714 HA2 -0.67 0.04 0.31 -0.51 4.01 3.18 3koyB1 GLY 714 HA3 -1.05 0.14 0.84 -0.51 4.01 3.43 3koyB1 VAL 715 H -0.05 0.05 0.00 -0.55 8.24 7.69 3koyB1 VAL 715 HA 0.09 0.16 0.46 -0.75 4.13 4.09 3koyB1 VAL 715 HB 0.08 -0.04 -0.04 -0.04 2.12 2.08 3koyB1 VAL 715 HG13 0.07 -0.03 -0.09 -0.04 0.97 0.88 3koyB1 VAL 715 HG23 0.02 0.01 -0.25 -0.04 0.95 0.68 3koyB1 ASP 716 H 0.09 0.34 0.32 -0.55 8.40 8.60 3koyB1 ASP 716 HA 0.05 0.12 0.25 -0.75 4.63 4.30 3koyB1 ASP 716 HB2 0.30 0.12 0.17 -0.04 2.71 3.26 3koyB1 ASP 716 HB3 0.27 -0.00 0.15 -0.04 2.70 3.07 3koyB1 ALA 717 H -0.07 0.15 -0.02 -0.55 8.40 7.91 3koyB1 ALA 717 HA -0.26 0.08 0.65 -0.75 4.34 4.06 3koyB1 ALA 717 HB3 -0.71 0.04 -0.03 -0.04 1.41 0.68 3koyB1 GLY 718 H -0.34 0.21 0.18 -0.55 8.43 7.94 3koyB1 GLY 718 HA2 -0.05 0.25 0.91 -0.51 4.01 4.61 3koyB1 GLY 718 HA3 -0.11 -0.12 0.21 -0.51 4.01 3.47 3koyB1 PHE 719 H 0.09 0.18 0.28 -0.55 8.34 8.33 3koyB1 PHE 719 HA -0.04 0.13 0.82 -0.75 4.62 4.78 3koyB1 PHE 719 HB2 -0.02 -0.06 -0.01 -0.04 3.15 3.01 3koyB1 PHE 719 HB3 -0.00 0.01 -0.03 -0.04 3.06 3.00 3koyB1 PHE 719 HD2 -0.05 0.10 -0.18 -0.04 7.28 7.11 3koyB1 PHE 719 HE2 -0.20 -0.02 -0.18 -0.04 7.38 6.93 3koyB1 PHE 719 HZ -0.23 0.03 -0.10 -0.04 7.32 6.98 3koyB1 GLY 720 H 0.07 0.18 0.08 -0.55 8.43 8.22 3koyB1 GLY 720 HA2 0.03 0.29 1.03 -0.51 4.01 4.85 3koyB1 GLY 720 HA3 0.02 0.07 0.42 -0.51 4.01 4.01 3koyB1 ARG 721 H 0.01 0.18 0.21 -0.55 8.46 8.30 3koyB1 ARG 721 HA 0.02 -0.08 0.43 -0.75 4.34 3.96 3koyB1 ARG 721 HB2 0.01 0.02 0.14 -0.04 1.90 2.03 3koyB1 ARG 721 HB3 0.01 0.02 0.03 -0.04 1.80 1.82 3koyB1 ARG 721 HG2 -0.00 -0.09 0.14 -0.04 1.67 1.68 3koyB1 ARG 721 HG3 -0.00 0.15 0.20 -0.04 1.67 1.97 3koyB1 ARG 721 HD2 0.00 0.03 0.05 -0.04 3.22 3.26 3koyB1 ARG 721 HD3 0.00 -0.01 0.05 -0.04 3.22 3.22 3koyB1 GLY 722 H 0.03 0.02 0.16 -0.55 8.43 8.10 3koyB1 GLY 722 HA2 0.05 -0.01 0.33 -0.51 4.01 3.88 3koyB1 GLY 722 HA3 0.05 0.04 0.30 -0.51 4.01 3.89 3koyB1 SER 723 H 0.10 0.12 0.04 -0.55 8.46 8.18 3koyB1 SER 723 HA 0.45 0.19 0.91 -0.75 4.49 5.28 3koyB1 SER 723 HB2 0.28 -0.01 -0.06 -0.04 3.95 4.12 3koyB1 SER 723 HB3 0.29 0.04 0.04 -0.04 3.93 4.26 3koyB1 LYS 724 H 0.04 0.13 0.16 -0.55 8.42 8.19 3koyB1 LYS 724 HA -0.02 0.28 0.87 -0.75 4.32 4.70 3koyB1 LYS 724 HB2 -0.26 -0.13 0.06 -0.04 1.87 1.49 3koyB1 LYS 724 HB3 -0.08 0.19 0.14 -0.04 1.79 2.00 3koyB1 LYS 724 HG2 -0.01 -0.01 -0.45 -0.04 1.46 0.95 3koyB1 LYS 724 HG3 -0.15 0.01 -0.06 -0.04 1.46 1.21 3koyB1 LYS 724 HD2 -0.08 0.00 -0.02 -0.04 1.69 1.55 3koyB1 LYS 724 HD3 -0.06 0.07 -0.04 -0.04 1.68 1.61 3koyB1 LYS 724 HE2 0.01 -0.04 -0.12 -0.04 2.99 2.80 3koyB1 LYS 724 HE3 0.03 0.03 -0.06 -0.04 2.99 2.94 3koyB1 GLY 725 H -0.02 0.46 0.19 -0.55 8.43 8.52 3koyB1 GLY 725 HA2 0.01 0.03 0.43 -0.51 4.01 3.97 3koyB1 GLY 725 HA3 0.04 0.25 0.41 -0.51 4.01 4.20 3koyB1 ILE 726 H 0.04 0.17 -0.20 -0.55 8.25 7.70 3koyB1 ILE 726 HA 0.13 0.08 0.30 -0.75 4.18 3.94 3koyB1 ILE 726 HB 0.13 0.04 0.07 -0.04 1.89 2.09 3koyB1 ILE 726 HG12 -0.00 0.03 -0.07 -0.04 1.49 1.41 3koyB1 ILE 726 HG13 -0.01 -0.01 -0.23 -0.04 1.21 0.92 3koyB1 ILE 726 HG23 -0.22 0.00 -0.03 -0.04 0.93 0.64 3koyB1 ILE 726 HD13 -0.15 0.02 -0.04 -0.04 0.88 0.67 3koyB1 HIS 727 H -0.21 0.16 -0.19 -0.55 8.41 7.62 3koyB1 HIS 727 HA 0.12 0.06 0.46 -0.75 4.63 4.52 3koyB1 HIS 727 HB2 0.11 0.13 0.12 -0.04 3.26 3.58 3koyB1 HIS 727 HB3 0.32 0.03 0.01 -0.04 3.20 3.51 3koyB1 HIS 727 HD2 0.08 0.03 0.02 -0.04 6.97 7.06 3koyB1 HIS 727 HE1 0.06 0.20 0.11 -0.04 7.75 8.07 3koyB1 VAL 728 H 0.08 0.31 -0.19 -0.55 8.24 7.89 3koyB1 VAL 728 HA 0.09 0.05 0.35 -0.75 4.13 3.86 3koyB1 VAL 728 HB -0.01 0.09 0.03 -0.04 2.12 2.19 3koyB1 VAL 728 HG13 -0.18 -0.01 -0.12 -0.04 0.97 0.62 3koyB1 VAL 728 HG23 -0.32 0.03 -0.06 -0.04 0.95 0.56 3koyB1 ALA 729 H 0.10 0.67 -0.03 -0.55 8.40 8.59 3koyB1 ALA 729 HA 0.07 0.04 0.35 -0.75 4.34 4.04 3koyB1 ALA 729 HB3 0.02 0.00 -0.00 -0.04 1.41 1.38 3koyB1 THR 730 H 0.07 0.44 -0.38 -0.55 8.28 7.86 3koyB1 THR 730 HA -0.01 0.02 0.47 -0.75 4.39 4.11 3koyB1 THR 730 HB 0.14 0.15 0.24 -0.04 4.32 4.80 3koyB1 THR 730 HG23 0.09 -0.02 -0.09 -0.04 1.22 1.16 3koyB1 PHE 731 H 0.32 0.51 0.04 -0.55 8.34 8.65 3koyB1 PHE 731 HA 0.07 -0.04 0.45 -0.75 4.62 4.35 3koyB1 PHE 731 HB2 0.18 -0.02 0.13 -0.04 3.15 3.40 3koyB1 PHE 731 HB3 0.23 0.12 0.20 -0.04 3.06 3.58 3koyB1 PHE 731 HD2 0.11 0.05 -0.02 -0.04 7.28 7.37 3koyB1 PHE 731 HE2 0.09 0.01 -0.16 -0.04 7.38 7.28 3koyB1 PHE 731 HZ 0.10 -0.05 -0.26 -0.04 7.32 7.07 3koyB1 LEU 732 H 0.09 0.55 -0.32 -0.55 8.37 8.14 3koyB1 LEU 732 HA -0.65 0.00 0.18 -0.75 4.35 3.13 3koyB1 LEU 732 HB2 0.02 0.05 0.08 -0.04 1.64 1.74 3koyB1 LEU 732 HB3 -0.06 0.02 -0.12 -0.04 1.64 1.44 3koyB1 LEU 732 HG 0.16 -0.03 -0.10 -0.04 1.64 1.63 3koyB1 LEU 732 HD13 0.08 -0.03 -0.22 -0.04 0.93 0.72 3koyB1 LEU 732 HD23 -0.03 -0.00 -0.12 -0.04 0.89 0.70 3koyB1 VAL 733 H -0.08 0.39 -0.24 -0.55 8.24 7.76 3koyB1 VAL 733 HA -0.08 0.20 0.87 -0.75 4.13 4.36 3koyB1 VAL 733 HB -0.04 0.02 0.03 -0.04 2.12 2.08 3koyB1 VAL 733 HG13 -0.05 0.09 0.13 -0.04 0.97 1.10 3koyB1 VAL 733 HG23 -0.04 -0.01 -0.06 -0.04 0.95 0.80 3koyB1 LYS 734 H -0.05 0.75 0.13 -0.55 8.42 8.70 3koyB1 LYS 734 HA -0.02 0.02 0.53 -0.75 4.32 4.09 3koyB1 LYS 734 HB2 0.02 0.26 0.09 -0.04 1.87 2.20 3koyB1 LYS 734 HB3 0.02 -0.01 0.06 -0.04 1.79 1.82 3koyB1 LYS 734 HG2 0.01 0.00 0.02 -0.04 1.46 1.45 3koyB1 LYS 734 HG3 0.01 -0.03 0.03 -0.04 1.46 1.43 3koyB1 LYS 734 HD2 0.06 -0.05 -0.10 -0.04 1.69 1.56 3koyB1 LYS 734 HD3 0.05 0.01 -0.03 -0.04 1.68 1.67 3koyB1 LYS 734 HE2 0.02 0.03 -0.01 -0.04 2.99 2.99 3koyB1 LYS 734 HE3 0.02 -0.03 -0.01 -0.04 2.99 2.93 3koyB1 LYS 735 H -0.13 0.59 0.12 -0.55 8.42 8.44 3koyB1 LYS 735 HA -0.03 -0.00 0.38 -0.75 4.32 3.92 3koyB1 LYS 735 HB2 0.05 -0.08 0.11 -0.04 1.87 1.91 3koyB1 LYS 735 HB3 -0.57 0.18 -0.01 -0.04 1.79 1.34 3koyB1 LYS 735 HG2 0.14 -0.07 -0.02 -0.04 1.46 1.47 3koyB1 LYS 735 HG3 -0.06 0.05 0.00 -0.04 1.46 1.42 3koyB1 LYS 735 HD2 0.04 -0.01 0.09 -0.04 1.69 1.77 3koyB1 LYS 735 HD3 0.14 -0.01 0.06 -0.04 1.68 1.82 3koyB1 LYS 735 HE2 0.04 0.05 0.02 -0.04 2.99 3.07 3koyB1 LYS 735 HE3 0.07 -0.01 0.03 -0.04 2.99 3.04 3koyB1 ARG 736 H -0.13 0.09 -1.14 -0.55 8.46 6.73 3koyB1 ARG 736 HA -0.07 0.12 0.68 -0.75 4.34 4.31 3koyB1 ARG 736 HB2 -0.10 0.20 0.15 -0.04 1.90 2.11 3koyB1 ARG 736 HB3 -0.08 0.04 0.21 -0.04 1.80 1.93 3koyB1 ARG 736 HG2 -0.03 -0.06 -0.31 -0.04 1.67 1.23 3koyB1 ARG 736 HG3 -0.04 -0.00 0.01 -0.04 1.67 1.60 3koyB1 ARG 736 HD2 -0.04 -0.02 0.05 -0.04 3.22 3.16 3koyB1 ARG 736 HD3 -0.03 -0.06 -0.06 -0.04 3.22 3.03 3koyB1 ARG 737 H -0.05 0.58 0.09 -0.55 8.46 8.53 3koyB1 ARG 737 HA -0.02 -0.01 0.49 -0.75 4.34 4.05 3koyB1 ARG 737 HB2 -0.02 0.18 0.23 -0.04 1.90 2.25 3koyB1 ARG 737 HB3 -0.01 -0.09 0.09 -0.04 1.80 1.74 3koyB1 ARG 737 HG2 -0.02 -0.08 0.09 -0.04 1.67 1.62 3koyB1 ARG 737 HG3 -0.03 0.21 0.20 -0.04 1.67 2.00 3koyB1 ARG 737 HD2 -0.02 -0.00 0.01 -0.04 3.22 3.16 3koyB1 ARG 737 HD3 -0.01 -0.06 0.03 -0.04 3.22 3.14 3koyB1 GLU 738 H -0.02 0.23 -0.49 -0.55 8.60 7.77 3koyB1 GLU 738 HA -0.00 0.00 0.22 -0.75 4.29 3.75 3koyB1 GLU 738 HB2 0.00 -0.02 0.04 -0.04 2.09 2.07 3koyB1 GLU 738 HB3 0.00 0.14 -0.03 -0.04 1.99 2.07 3koyB1 GLU 738 HG2 0.01 0.02 0.07 -0.04 2.34 2.40 3koyB1 GLU 738 HG3 0.01 -0.04 0.07 -0.04 2.34 2.34 3koyB1 MET 739 H -0.01 0.34 -0.79 -0.55 8.47 7.47 3koyB1 MET 739 HA 0.00 0.16 0.95 -0.75 4.52 4.88 3koyB1 MET 739 HB2 -0.00 0.06 0.04 -0.04 2.15 2.21 3koyB1 MET 739 HB3 0.00 -0.05 0.18 -0.04 2.03 2.12 3koyB1 MET 739 HG2 0.01 -0.04 -0.04 -0.04 2.63 2.53 3koyB1 MET 739 HG3 0.00 -0.11 -0.47 -0.04 2.56 1.94 3koyB1 MET 739 HE3 -0.01 0.03 -0.01 -0.04 2.10 2.06 3koyB1 ARG 740 H -0.01 0.59 -0.14 -0.55 8.46 8.35 3koyB1 ARG 740 HA -0.00 0.19 0.69 -0.75 4.34 4.45