============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 73 rings ring int. center anis. iso. PHE 6 1.000 88.789 95.898 28.078 -99.200 -91.000 HIS 9 0.900 85.902 88.812 27.626 -99.200 -91.000 TYR 16 0.840 93.703 84.509 30.902 -99.200 -91.000 HIS 23 0.900 103.406 86.578 27.600 -99.200 -91.000 PHE 29 1.000 101.480 76.855 34.881 -99.200 -91.000 TYR 30 0.840 95.338 86.146 35.552 -99.200 -91.000 PHE 35 1.000 94.273 76.482 44.092 -99.200 -91.000 TYR 36 0.840 101.830 80.246 39.953 -99.200 -91.000 PHE 39 1.000 90.963 81.733 33.746 -99.200 -91.000 TYR 40 0.840 88.404 81.985 27.442 -99.200 -91.000 TYR 72 0.840 101.783 79.310 47.520 -99.200 -91.000 HIS 73 0.900 101.177 73.987 48.094 -99.200 -91.000 TYR 78 0.840 101.044 69.923 38.890 -99.200 -91.000 TRP 136 1.040 120.274 85.841 9.323 -99.200 -91.000 TRP6 136 1.020 118.808 87.380 8.308 -99.200 -91.000 PHE 142 1.000 122.378 78.441 6.152 -99.200 -91.000 TYR 144 0.840 123.788 77.853 15.523 -99.200 -91.000 PHE 154 1.000 125.063 86.242 22.975 -99.200 -91.000 TYR 179 0.840 111.810 78.675 12.099 -99.200 -91.000 PHE 183 1.000 116.581 78.531 8.166 -99.200 -91.000 TRP 201 1.040 109.359 92.402 14.397 -99.200 -91.000 TRP6 201 1.020 109.803 92.488 16.718 -99.200 -91.000 PHE 203 1.000 116.106 85.994 13.424 -99.200 -91.000 PHE 216 1.000 127.805 91.570 24.699 -99.200 -91.000 PHE 224 1.000 132.716 92.276 23.674 -99.200 -91.000 TYR 242 0.840 112.885 83.070 23.191 -99.200 -91.000 HIS 253 0.900 123.879 85.218 33.420 -99.200 -91.000 TRP 309 1.040 138.058 72.050 26.150 -99.200 -91.000 TRP6 309 1.020 140.154 71.809 27.214 -99.200 -91.000 HIS 311 0.900 130.575 66.711 19.905 -99.200 -91.000 PHE 333 1.000 152.188 67.274 41.393 -99.200 -91.000 HIS 369 0.900 131.873 71.569 50.902 -99.200 -91.000 PHE 371 1.000 133.166 81.535 47.228 -99.200 -91.000 PHE 399 1.000 136.535 84.630 44.173 -99.200 -91.000 TYR 428 0.840 124.727 88.415 57.769 -99.200 -91.000 TRP 435 1.040 112.137 91.902 64.686 -99.200 -91.000 TRP6 435 1.020 110.232 92.645 65.862 -99.200 -91.000 TYR 445 0.840 102.157 83.090 77.734 -99.200 -91.000 PHE 466 1.000 98.999 78.506 65.664 -99.200 -91.000 HIS 470 0.900 89.062 77.312 64.111 -99.200 -91.000 TYR 472 0.840 99.771 80.359 69.892 -99.200 -91.000 TYR 473 0.840 94.029 74.523 70.716 -99.200 -91.000 HIS 482 0.900 80.560 69.541 83.674 -99.200 -91.000 TYR 488 0.840 89.809 78.927 80.636 -99.200 -91.000 TYR 500 0.840 86.210 76.687 76.782 -99.200 -91.000 TYR 508 0.840 102.826 83.279 73.286 -99.200 -91.000 TYR 527 0.840 118.694 83.812 50.188 -99.200 -91.000 PHE 531 1.000 120.580 86.144 45.857 -99.200 -91.000 HIS 537 0.900 133.452 90.826 45.546 -99.200 -91.000 TYR 562 0.840 150.119 56.148 36.007 -99.200 -91.000 TYR 566 0.840 144.964 57.424 25.923 -99.200 -91.000 PHE 571 1.000 150.252 69.483 18.006 -99.200 -91.000 HIS 584 0.900 137.896 53.235 17.889 -99.200 -91.000 PHE 595 1.000 142.627 48.164 18.581 -99.200 -91.000 TYR 622 0.840 144.920 51.639 9.484 -99.200 -91.000 TYR 634 0.840 145.718 69.225 15.392 -99.200 -91.000 TYR 638 0.840 150.574 63.583 27.242 -99.200 -91.000 PHE 653 1.000 135.347 67.592 4.143 -99.200 -91.000 PHE 658 1.000 118.347 58.369 -1.569 -99.200 -91.000 HIS 670 0.900 131.641 70.977 -5.606 -99.200 -91.000 TYR 675 0.840 147.286 73.010 4.850 -99.200 -91.000 TYR 690 0.840 132.577 46.439 -14.297 -99.200 -91.000 TRP 697 1.040 139.624 55.180 -11.662 -99.200 -91.000 TRP6 697 1.020 141.075 53.330 -11.581 -99.200 -91.000 PHE 713 1.000 138.189 55.815 -2.154 -99.200 -91.000 HIS 716 0.900 132.544 47.418 -1.621 -99.200 -91.000 TYR 717 0.840 133.186 48.998 -5.828 -99.200 -91.000 PHE 718 1.000 142.011 42.536 -5.209 -99.200 -91.000 HIS 734 0.900 147.437 43.444 2.843 -99.200 -91.000 HIS 740 0.900 144.700 28.992 9.356 -99.200 -91.000 PHE 746 1.000 137.330 38.010 9.611 -99.200 -91.000 HIS 748 0.900 140.669 41.957 14.090 -99.200 -91.000 TYR 759 0.840 140.935 36.953 2.093 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1oh5A1 SER 2 HA 0.03 -0.01 0.16 -0.75 4.49 3.91 1oh5A1 SER 2 HB2 0.03 -0.02 0.06 -0.04 3.95 3.99 1oh5A1 SER 2 HB3 0.02 -0.03 -0.02 -0.04 3.93 3.86 1oh5A1 ALA 3 H 0.02 0.23 0.11 -0.55 8.40 8.21 1oh5A1 ALA 3 HA 0.00 0.05 0.70 -0.75 4.34 4.34 1oh5A1 ALA 3 HB3 -0.00 0.01 0.07 -0.04 1.41 1.44 1oh5A1 ILE 4 H -0.01 0.08 0.12 -0.55 8.25 7.90 1oh5A1 ILE 4 HA -0.00 0.05 0.57 -0.75 4.18 4.04 1oh5A1 ILE 4 HB -0.01 -0.00 0.17 -0.04 1.89 2.01 1oh5A1 ILE 4 HG12 -0.00 0.01 0.04 -0.04 1.49 1.50 1oh5A1 ILE 4 HG13 -0.00 0.03 0.05 -0.04 1.21 1.25 1oh5A1 ILE 4 HG23 -0.01 -0.03 -0.09 -0.04 0.93 0.76 1oh5A1 ILE 4 HD13 -0.00 0.00 0.04 -0.04 0.88 0.88 1oh5A1 GLU 5 H -0.00 0.14 0.04 -0.55 8.60 8.23 1oh5A1 GLU 5 HA -0.17 0.19 0.62 -0.75 4.29 4.18 1oh5A1 GLU 5 HB2 0.03 0.07 0.07 -0.04 2.09 2.23 1oh5A1 GLU 5 HB3 0.15 -0.03 0.18 -0.04 1.99 2.24 1oh5A1 GLU 5 HG2 -0.01 0.01 -0.07 -0.04 2.34 2.23 1oh5A1 GLU 5 HG3 0.02 0.06 -0.21 -0.04 2.34 2.18 1oh5A1 ASN 6 H -0.07 0.15 -0.20 -0.55 8.53 7.87 1oh5A1 ASN 6 HA 0.07 0.13 0.47 -0.75 4.76 4.68 1oh5A1 ASN 6 HB2 0.06 -0.06 0.10 -0.04 2.88 2.93 1oh5A1 ASN 6 HB3 0.02 0.05 0.05 -0.04 2.79 2.87 1oh5A1 ASN 6 HD21 -0.03 0.15 -0.11 -0.04 7.03 7.00 1oh5A1 ASN 6 HD22 0.02 -0.19 -0.16 -0.04 7.74 7.36 1oh5A1 PHE 7 H 0.23 0.14 0.14 -0.55 8.34 8.29 1oh5A1 PHE 7 HA 0.18 0.13 0.34 -0.75 4.62 4.52 1oh5A1 PHE 7 HB2 0.04 0.03 0.15 -0.04 3.15 3.33 1oh5A1 PHE 7 HB3 0.03 -0.07 0.12 -0.04 3.06 3.09 1oh5A1 PHE 7 HD2 0.04 0.00 -0.10 -0.04 7.28 7.18 1oh5A1 PHE 7 HE2 0.03 0.03 -0.05 -0.04 7.38 7.35 1oh5A1 PHE 7 HZ 0.03 0.00 -0.06 -0.04 7.32 7.25 1oh5A1 ASP 8 H 0.18 0.02 -0.13 -0.55 8.40 7.92 1oh5A1 ASP 8 HA 0.06 0.11 0.38 -0.75 4.63 4.42 1oh5A1 ASP 8 HB2 0.04 -0.07 -0.01 -0.04 2.71 2.63 1oh5A1 ASP 8 HB3 0.02 0.06 -0.03 -0.04 2.70 2.72 1oh5A1 ALA 9 H -0.12 0.10 -0.53 -0.55 8.40 7.30 1oh5A1 ALA 9 HA -0.12 0.04 0.45 -0.75 4.34 3.96 1oh5A1 ALA 9 HB3 -0.26 0.02 0.06 -0.04 1.41 1.18 1oh5A1 HIS 10 H -0.25 0.35 -0.33 -0.55 8.41 7.64 1oh5A1 HIS 10 HA -0.07 0.09 0.79 -0.75 4.63 4.68 1oh5A1 HIS 10 HB2 -0.23 0.08 -0.07 -0.04 3.26 3.00 1oh5A1 HIS 10 HB3 -0.12 -0.20 0.03 -0.04 3.20 2.87 1oh5A1 HIS 10 HD2 -0.14 -0.05 -0.16 -0.04 6.97 6.57 1oh5A1 HIS 10 HE1 0.00 -0.01 -0.06 -0.04 7.75 7.64 1oh5A1 THR 11 H 0.01 0.03 0.14 -0.55 8.28 7.91 1oh5A1 THR 11 HA -0.03 0.25 0.61 -0.75 4.39 4.47 1oh5A1 THR 11 HB -0.02 0.04 0.17 -0.04 4.32 4.47 1oh5A1 THR 11 HG23 -0.03 0.04 0.03 -0.04 1.22 1.22 1oh5A1 PRO 12 HA -0.03 0.11 0.51 -0.51 4.44 4.51 1oh5A1 PRO 12 HB2 0.01 0.03 0.03 -0.04 2.28 2.31 1oh5A1 PRO 12 HB3 0.02 0.05 0.12 -0.04 2.02 2.17 1oh5A1 PRO 12 HG2 0.01 0.08 0.09 -0.04 2.03 2.16 1oh5A1 PRO 12 HG3 0.01 0.09 0.09 -0.04 2.03 2.17 1oh5A1 PRO 12 HD2 -0.01 0.08 0.22 -0.04 3.68 3.93 1oh5A1 PRO 12 HD3 -0.02 0.23 0.22 -0.04 3.65 4.04 1oh5A1 MET 13 H -0.01 0.12 -0.23 -0.55 8.47 7.81 1oh5A1 MET 13 HA 0.08 0.13 0.45 -0.75 4.52 4.43 1oh5A1 MET 13 HB2 0.04 0.04 0.06 -0.04 2.15 2.25 1oh5A1 MET 13 HB3 -0.02 -0.05 0.06 -0.04 2.03 1.98 1oh5A1 MET 13 HG2 -0.03 -0.00 -0.42 -0.04 2.63 2.13 1oh5A1 MET 13 HG3 0.17 0.03 -0.04 -0.04 2.56 2.68 1oh5A1 MET 13 HE3 -0.20 -0.00 -0.06 -0.04 2.10 1.80 1oh5A1 MET 14 H -0.06 0.13 -0.21 -0.55 8.47 7.77 1oh5A1 MET 14 HA -0.13 0.09 0.42 -0.75 4.52 4.15 1oh5A1 MET 14 HB2 -0.07 -0.03 0.10 -0.04 2.15 2.11 1oh5A1 MET 14 HB3 -0.22 0.07 0.03 -0.04 2.03 1.87 1oh5A1 MET 14 HG2 -0.19 -0.08 0.01 -0.04 2.63 2.33 1oh5A1 MET 14 HG3 -0.19 0.07 0.02 -0.04 2.56 2.42 1oh5A1 MET 14 HE3 -0.53 0.01 -0.02 -0.04 2.10 1.51 1oh5A1 GLN 15 H -0.10 0.35 -0.31 -0.55 8.47 7.87 1oh5A1 GLN 15 HA -0.28 0.07 0.43 -0.75 4.36 3.83 1oh5A1 GLN 15 HB2 -0.14 0.05 0.11 -0.04 2.15 2.13 1oh5A1 GLN 15 HB3 -0.25 -0.03 -0.06 -0.04 2.02 1.64 1oh5A1 GLN 15 HG2 -1.47 -0.03 -0.01 -0.04 2.40 0.85 1oh5A1 GLN 15 HG3 -0.37 0.09 -0.16 -0.04 2.39 1.91 1oh5A1 GLN 15 HE21 -0.06 -0.10 -0.11 -0.04 6.97 6.66 1oh5A1 GLN 15 HE22 -0.39 0.36 -0.09 -0.04 7.69 7.52 1oh5A1 GLN 16 H 0.03 0.38 -0.18 -0.55 8.47 8.15 1oh5A1 GLN 16 HA 0.10 0.04 0.48 -0.75 4.36 4.23 1oh5A1 GLN 16 HB2 0.11 0.00 0.11 -0.04 2.15 2.33 1oh5A1 GLN 16 HB3 0.16 0.12 0.16 -0.04 2.02 2.43 1oh5A1 GLN 16 HG2 0.33 -0.00 -0.31 -0.04 2.40 2.38 1oh5A1 GLN 16 HG3 0.15 -0.03 -0.00 -0.04 2.39 2.47 1oh5A1 GLN 16 HE21 0.06 0.75 -0.04 -0.04 6.97 7.70 1oh5A1 GLN 16 HE22 0.09 -0.16 0.01 -0.04 7.69 7.58 1oh5A1 TYR 17 H 0.09 0.48 -0.11 -0.55 8.29 8.19 1oh5A1 TYR 17 HA -0.28 0.05 0.35 -0.75 4.56 3.92 1oh5A1 TYR 17 HB2 -0.71 0.03 0.04 -0.04 3.06 2.38 1oh5A1 TYR 17 HB3 -0.29 0.00 0.10 -0.04 2.98 2.75 1oh5A1 TYR 17 HD2 -0.63 0.04 -0.14 -0.04 7.15 6.37 1oh5A1 TYR 17 HE2 0.13 0.04 -0.08 -0.04 6.85 6.90 1oh5A1 LEU 18 H -0.05 0.41 -0.51 -0.55 8.37 7.68 1oh5A1 LEU 18 HA -0.26 0.03 0.35 -0.75 4.35 3.72 1oh5A1 LEU 18 HB2 -0.13 0.15 0.14 -0.04 1.64 1.76 1oh5A1 LEU 18 HB3 -0.09 -0.05 -0.02 -0.04 1.64 1.44 1oh5A1 LEU 18 HG 0.03 -0.04 -0.02 -0.04 1.64 1.57 1oh5A1 LEU 18 HD13 -0.65 -0.00 -0.07 -0.04 0.93 0.17 1oh5A1 LEU 18 HD23 -0.13 -0.02 -0.02 -0.04 0.89 0.69 1oh5A1 ARG 19 H -0.00 0.43 -0.11 -0.55 8.46 8.22 1oh5A1 ARG 19 HA 0.03 0.03 0.54 -0.75 4.34 4.19 1oh5A1 ARG 19 HB2 0.07 0.12 0.18 -0.04 1.90 2.23 1oh5A1 ARG 19 HB3 0.05 -0.02 -0.05 -0.04 1.80 1.74 1oh5A1 ARG 19 HG2 0.10 -0.05 0.04 -0.04 1.67 1.72 1oh5A1 ARG 19 HG3 0.20 0.10 0.06 -0.04 1.67 1.99 1oh5A1 ARG 19 HD2 0.08 -0.02 -0.00 -0.04 3.22 3.24 1oh5A1 ARG 19 HD3 0.19 -0.06 -0.03 -0.04 3.22 3.28 1oh5A1 LEU 20 H -0.03 0.44 -0.19 -0.55 8.37 8.04 1oh5A1 LEU 20 HA 0.07 0.06 0.37 -0.75 4.35 4.09 1oh5A1 LEU 20 HB2 -0.00 0.09 0.09 -0.04 1.64 1.78 1oh5A1 LEU 20 HB3 0.09 -0.01 -0.09 -0.04 1.64 1.59 1oh5A1 LEU 20 HG 0.10 -0.02 0.02 -0.04 1.64 1.70 1oh5A1 LEU 20 HD13 0.27 0.02 -0.14 -0.04 0.93 1.03 1oh5A1 LEU 20 HD23 0.10 0.03 -0.01 -0.04 0.89 0.97 1oh5A1 LYS 21 H -0.30 0.50 -0.11 -0.55 8.42 7.96 1oh5A1 LYS 21 HA -0.06 0.07 0.24 -0.75 4.32 3.82 1oh5A1 LYS 21 HB2 -0.77 0.01 0.08 -0.04 1.87 1.16 1oh5A1 LYS 21 HB3 -0.34 0.01 0.09 -0.04 1.79 1.52 1oh5A1 LYS 21 HG2 -0.01 -0.09 -0.05 -0.04 1.46 1.27 1oh5A1 LYS 21 HG3 -0.04 -0.00 -0.27 -0.04 1.46 1.11 1oh5A1 LYS 21 HD2 0.02 0.10 0.04 -0.04 1.69 1.81 1oh5A1 LYS 21 HD3 0.13 -0.11 0.03 -0.04 1.68 1.69 1oh5A1 LYS 21 HE2 0.09 -0.11 0.00 -0.04 2.99 2.93 1oh5A1 LYS 21 HE3 0.06 -0.03 -0.04 -0.04 2.99 2.94 1oh5A1 ALA 22 H -0.06 0.30 -0.63 -0.55 8.40 7.46 1oh5A1 ALA 22 HA -0.02 -0.01 0.37 -0.75 4.34 3.92 1oh5A1 ALA 22 HB3 -0.01 0.03 0.12 -0.04 1.41 1.51 1oh5A1 GLN 23 H -0.01 0.39 -0.33 -0.55 8.47 7.98 1oh5A1 GLN 23 HA -0.12 0.05 0.73 -0.75 4.36 4.27 1oh5A1 GLN 23 HB2 -0.13 -0.08 0.17 -0.04 2.15 2.08 1oh5A1 GLN 23 HB3 -0.04 -0.02 0.11 -0.04 2.02 2.04 1oh5A1 GLN 23 HG2 0.12 0.38 0.07 -0.04 2.40 2.92 1oh5A1 GLN 23 HG3 -0.19 -0.04 0.08 -0.04 2.39 2.19 1oh5A1 GLN 23 HE21 0.08 -0.06 0.04 -0.04 6.97 7.00 1oh5A1 GLN 23 HE22 0.20 0.00 0.04 -0.04 7.69 7.90 1oh5A1 HIS 24 H -0.00 0.31 -0.76 -0.55 8.41 7.41 1oh5A1 HIS 24 HA 0.01 -0.01 0.36 -0.75 4.63 4.24 1oh5A1 HIS 24 HB2 -0.00 0.01 -0.03 -0.04 3.26 3.21 1oh5A1 HIS 24 HB3 0.01 -0.07 0.12 -0.04 3.20 3.22 1oh5A1 HIS 24 HD2 -0.01 -0.10 0.01 -0.04 6.97 6.82 1oh5A1 HIS 24 HE1 0.01 -0.10 -0.03 -0.04 7.75 7.59 1oh5A1 PRO 25 HA 0.04 0.13 0.21 -0.51 4.44 4.31 1oh5A1 PRO 25 HB2 0.02 -0.04 0.04 -0.04 2.28 2.26 1oh5A1 PRO 25 HB3 0.01 0.04 0.15 -0.04 2.02 2.18 1oh5A1 PRO 25 HG2 0.03 -0.02 0.04 -0.04 2.03 2.04 1oh5A1 PRO 25 HG3 0.01 0.04 0.09 -0.04 2.03 2.13 1oh5A1 PRO 25 HD2 0.00 0.06 0.02 -0.04 3.68 3.73 1oh5A1 PRO 25 HD3 -0.02 0.30 0.02 -0.04 3.65 3.91 1oh5A1 GLU 26 H 0.06 0.10 -0.38 -0.55 8.60 7.84 1oh5A1 GLU 26 HA 0.05 0.12 0.50 -0.75 4.29 4.21 1oh5A1 GLU 26 HB2 0.04 -0.05 -0.04 -0.04 2.09 2.00 1oh5A1 GLU 26 HB3 0.05 0.04 -0.03 -0.04 1.99 2.00 1oh5A1 GLU 26 HG2 0.04 0.00 0.02 -0.04 2.34 2.36 1oh5A1 GLU 26 HG3 0.04 0.02 0.14 -0.04 2.34 2.51 1oh5A1 ILE 27 H 0.08 0.38 -0.12 -0.55 8.25 8.04 1oh5A1 ILE 27 HA 0.06 0.15 0.80 -0.75 4.18 4.43 1oh5A1 ILE 27 HB 0.04 0.09 -0.02 -0.04 1.89 1.95 1oh5A1 ILE 27 HG12 0.12 -0.08 -0.14 -0.04 1.49 1.34 1oh5A1 ILE 27 HG13 0.08 0.09 -0.25 -0.04 1.21 1.09 1oh5A1 ILE 27 HG23 0.06 -0.02 -0.26 -0.04 0.93 0.67 1oh5A1 ILE 27 HD13 0.03 -0.01 -0.28 -0.04 0.88 0.59 1oh5A1 LEU 28 H 0.04 0.26 0.17 -0.55 8.37 8.30 1oh5A1 LEU 28 HA 0.11 -0.04 0.31 -0.75 4.35 3.98 1oh5A1 LEU 28 HB2 0.02 0.13 0.19 -0.04 1.64 1.93 1oh5A1 LEU 28 HB3 0.16 -0.02 -0.06 -0.04 1.64 1.69 1oh5A1 LEU 28 HG 0.07 -0.01 0.08 -0.04 1.64 1.73 1oh5A1 LEU 28 HD13 0.08 0.02 -0.04 -0.04 0.93 0.95 1oh5A1 LEU 28 HD23 0.11 -0.02 0.01 -0.04 0.89 0.95 1oh5A1 LEU 29 H 0.17 0.10 0.22 -0.55 8.37 8.32 1oh5A1 LEU 29 HA 0.06 0.23 0.99 -0.75 4.35 4.87 1oh5A1 LEU 29 HB2 0.07 0.14 0.01 -0.04 1.64 1.82 1oh5A1 LEU 29 HB3 0.19 -0.12 0.17 -0.04 1.64 1.84 1oh5A1 LEU 29 HG 0.27 -0.04 -0.40 -0.04 1.64 1.43 1oh5A1 LEU 29 HD13 -0.00 0.06 -0.14 -0.04 0.93 0.81 1oh5A1 LEU 29 HD23 -0.03 -0.01 -0.16 -0.04 0.89 0.64 1oh5A1 PHE 30 H 0.22 0.69 0.27 -0.55 8.34 8.97 1oh5A1 PHE 30 HA 0.10 0.19 0.78 -0.75 4.62 4.94 1oh5A1 PHE 30 HB2 -0.05 0.06 0.21 -0.04 3.15 3.33 1oh5A1 PHE 30 HB3 0.08 -0.08 -0.00 -0.04 3.06 3.01 1oh5A1 PHE 30 HD2 -0.24 -0.04 -0.27 -0.04 7.28 6.69 1oh5A1 PHE 30 HE2 -0.07 -0.01 -0.15 -0.04 7.38 7.12 1oh5A1 PHE 30 HZ -0.02 0.03 -0.18 -0.04 7.32 7.10 1oh5A1 TYR 31 H 0.27 0.44 0.28 -0.55 8.29 8.73 1oh5A1 TYR 31 HA 0.20 0.17 0.85 -0.75 4.56 5.03 1oh5A1 TYR 31 HB2 0.35 0.05 -0.15 -0.04 3.06 3.26 1oh5A1 TYR 31 HB3 0.13 -0.05 0.07 -0.04 2.98 3.10 1oh5A1 TYR 31 HD2 0.21 -0.02 -0.15 -0.04 7.15 7.16 1oh5A1 TYR 31 HE2 0.17 -0.02 -0.16 -0.04 6.85 6.80 1oh5A1 ARG 32 H -0.03 0.53 0.16 -0.55 8.46 8.57 1oh5A1 ARG 32 HA -0.29 0.14 0.53 -0.75 4.34 3.97 1oh5A1 ARG 32 HB2 -0.25 0.12 0.23 -0.04 1.90 1.96 1oh5A1 ARG 32 HB3 -0.18 -0.08 0.20 -0.04 1.80 1.69 1oh5A1 ARG 32 HG2 -0.24 -0.10 0.05 -0.04 1.67 1.34 1oh5A1 ARG 32 HG3 -0.23 -0.04 -0.21 -0.04 1.67 1.14 1oh5A1 ARG 32 HD2 -0.42 0.22 -0.25 -0.04 3.22 2.73 1oh5A1 ARG 32 HD3 -1.10 -0.07 -0.14 -0.04 3.22 1.87 1oh5A1 MET 33 H -0.07 0.65 0.38 -0.55 8.47 8.88 1oh5A1 MET 33 HA -0.08 0.08 0.82 -0.75 4.52 4.58 1oh5A1 MET 33 HB2 0.04 0.02 0.13 -0.04 2.15 2.30 1oh5A1 MET 33 HB3 0.04 -0.07 -0.01 -0.04 2.03 1.95 1oh5A1 MET 33 HG2 0.03 0.08 -0.37 -0.04 2.63 2.33 1oh5A1 MET 33 HG3 0.33 0.01 -0.11 -0.04 2.56 2.76 1oh5A1 MET 33 HE3 0.04 -0.01 -0.02 -0.04 2.10 2.07 1oh5A1 GLY 34 H -0.07 0.17 0.06 -0.55 8.43 8.05 1oh5A1 GLY 34 HA2 -0.06 0.05 0.34 -0.51 4.01 3.84 1oh5A1 GLY 34 HA3 0.00 -0.01 0.47 -0.51 4.01 3.96 1oh5A1 ASP 35 H 0.13 0.14 0.22 -0.55 8.40 8.34 1oh5A1 ASP 35 HA -0.15 0.15 0.56 -0.75 4.63 4.44 1oh5A1 ASP 35 HB2 0.13 -0.00 0.15 -0.04 2.71 2.95 1oh5A1 ASP 35 HB3 0.11 -0.01 0.13 -0.04 2.70 2.90 1oh5A1 PHE 36 H 0.09 0.54 -0.47 -0.55 8.34 7.95 1oh5A1 PHE 36 HA -0.03 0.09 0.87 -0.75 4.62 4.79 1oh5A1 PHE 36 HB2 -0.07 0.10 -0.04 -0.04 3.15 3.10 1oh5A1 PHE 36 HB3 -0.09 0.06 -0.23 -0.04 3.06 2.76 1oh5A1 PHE 36 HD2 -0.06 -0.10 -0.35 -0.04 7.28 6.73 1oh5A1 PHE 36 HE2 -0.02 0.02 -0.08 -0.04 7.38 7.26 1oh5A1 PHE 36 HZ 0.00 0.01 -0.03 -0.04 7.32 7.25 1oh5A1 TYR 37 H 0.11 0.51 0.19 -0.55 8.29 8.55 1oh5A1 TYR 37 HA 0.01 0.14 0.59 -0.75 4.56 4.54 1oh5A1 TYR 37 HB2 -0.21 0.04 0.12 -0.04 3.06 2.97 1oh5A1 TYR 37 HB3 -0.19 -0.00 -0.05 -0.04 2.98 2.70 1oh5A1 TYR 37 HD2 0.09 0.02 -0.15 -0.04 7.15 7.07 1oh5A1 TYR 37 HE2 0.11 0.07 -0.03 -0.04 6.85 6.96 1oh5A1 GLU 38 H 0.08 0.27 0.23 -0.55 8.60 8.63 1oh5A1 GLU 38 HA -0.22 0.26 1.04 -0.75 4.29 4.62 1oh5A1 GLU 38 HB2 -0.11 0.05 0.04 -0.04 2.09 2.02 1oh5A1 GLU 38 HB3 -0.55 0.01 0.06 -0.04 1.99 1.47 1oh5A1 GLU 38 HG2 -0.00 -0.10 -0.49 -0.04 2.34 1.70 1oh5A1 GLU 38 HG3 0.01 -0.02 -0.07 -0.04 2.34 2.22 1oh5A1 LEU 39 H -0.50 0.45 0.43 -0.55 8.37 8.20 1oh5A1 LEU 39 HA -0.16 0.25 0.87 -0.75 4.35 4.56 1oh5A1 LEU 39 HB2 -0.18 -0.06 -0.07 -0.04 1.64 1.29 1oh5A1 LEU 39 HB3 -0.04 -0.10 -0.21 -0.04 1.64 1.24 1oh5A1 LEU 39 HG -0.07 0.28 -0.31 -0.04 1.64 1.50 1oh5A1 LEU 39 HD13 -0.37 0.00 -0.28 -0.04 0.93 0.24 1oh5A1 LEU 39 HD23 0.20 0.00 -0.16 -0.04 0.89 0.89 1oh5A1 PHE 40 H 0.04 0.21 0.18 -0.55 8.34 8.21 1oh5A1 PHE 40 HA -0.21 0.49 1.07 -0.75 4.62 5.21 1oh5A1 PHE 40 HB2 -0.49 -0.02 -0.01 -0.04 3.15 2.60 1oh5A1 PHE 40 HB3 -0.51 -0.01 0.08 -0.04 3.06 2.58 1oh5A1 PHE 40 HD2 -1.24 0.11 -0.08 -0.04 7.28 6.03 1oh5A1 PHE 40 HE2 -0.35 -0.01 -0.11 -0.04 7.38 6.87 1oh5A1 PHE 40 HZ -0.14 -0.03 -0.10 -0.04 7.32 7.01 1oh5A1 TYR 41 H -0.19 0.47 0.22 -0.55 8.29 8.25 1oh5A1 TYR 41 HA 0.05 0.09 0.41 -0.75 4.56 4.36 1oh5A1 TYR 41 HB2 0.12 0.07 -0.16 -0.04 3.06 3.05 1oh5A1 TYR 41 HB3 0.07 -0.01 0.22 -0.04 2.98 3.21 1oh5A1 TYR 41 HD2 0.09 -0.00 -0.03 -0.04 7.15 7.16 1oh5A1 TYR 41 HE2 -0.07 0.04 -0.01 -0.04 6.85 6.77 1oh5A1 ASP 42 H 0.23 0.18 0.25 -0.55 8.40 8.52 1oh5A1 ASP 42 HA 0.09 0.07 0.43 -0.75 4.63 4.48 1oh5A1 ASP 42 HB2 0.10 0.07 0.12 -0.04 2.71 2.96 1oh5A1 ASP 42 HB3 0.07 0.02 0.08 -0.04 2.70 2.84 1oh5A1 ASP 43 H 0.16 0.26 0.05 -0.55 8.40 8.32 1oh5A1 ASP 43 HA 0.09 0.06 0.38 -0.75 4.63 4.41 1oh5A1 ASP 43 HB2 0.15 0.07 0.17 -0.04 2.71 3.06 1oh5A1 ASP 43 HB3 0.12 -0.00 0.04 -0.04 2.70 2.81 1oh5A1 ALA 44 H 0.05 0.35 -0.76 -0.55 8.40 7.49 1oh5A1 ALA 44 HA -0.05 0.06 0.30 -0.75 4.34 3.90 1oh5A1 ALA 44 HB3 -0.07 0.07 -0.52 -0.04 1.41 0.84 1oh5A1 LYS 45 H 0.04 0.29 -0.33 -0.55 8.42 7.86 1oh5A1 LYS 45 HA 0.01 0.04 0.42 -0.75 4.32 4.04 1oh5A1 LYS 45 HB2 0.05 0.08 0.21 -0.04 1.87 2.16 1oh5A1 LYS 45 HB3 0.03 -0.01 -0.01 -0.04 1.79 1.77 1oh5A1 LYS 45 HG2 0.02 -0.01 0.01 -0.04 1.46 1.44 1oh5A1 LYS 45 HG3 0.02 0.00 -0.03 -0.04 1.46 1.42 1oh5A1 LYS 45 HD2 0.06 -0.01 -0.12 -0.04 1.69 1.58 1oh5A1 LYS 45 HD3 0.04 -0.01 -0.02 -0.04 1.68 1.66 1oh5A1 LYS 45 HE2 0.03 -0.00 -0.02 -0.04 2.99 2.95 1oh5A1 LYS 45 HE3 0.03 -0.00 -0.03 -0.04 2.99 2.95 1oh5A1 ARG 46 H 0.04 0.63 -0.07 -0.55 8.46 8.51 1oh5A1 ARG 46 HA 0.04 0.05 0.48 -0.75 4.34 4.15 1oh5A1 ARG 46 HB2 0.05 0.00 0.05 -0.04 1.90 1.96 1oh5A1 ARG 46 HB3 0.06 0.06 0.07 -0.04 1.80 1.95 1oh5A1 ARG 46 HG2 0.05 0.02 -0.09 -0.04 1.67 1.62 1oh5A1 ARG 46 HG3 0.04 -0.04 0.04 -0.04 1.67 1.66 1oh5A1 ARG 46 HD2 0.04 -0.01 -0.01 -0.04 3.22 3.21 1oh5A1 ARG 46 HD3 0.05 -0.02 -0.02 -0.04 3.22 3.18 1oh5A1 ALA 47 H 0.03 0.47 -0.31 -0.55 8.40 8.05 1oh5A1 ALA 47 HA 0.05 0.01 0.29 -0.75 4.34 3.94 1oh5A1 ALA 47 HB3 -0.00 0.01 0.01 -0.04 1.41 1.39 1oh5A1 SER 48 H -0.00 0.53 -0.35 -0.55 8.46 8.09 1oh5A1 SER 48 HA -0.01 -0.06 0.40 -0.75 4.49 4.07 1oh5A1 SER 48 HB2 -0.01 0.20 0.12 -0.04 3.95 4.21 1oh5A1 SER 48 HB3 -0.01 0.11 0.09 -0.04 3.93 4.07 1oh5A1 GLN 49 H 0.02 0.30 -0.31 -0.55 8.47 7.94 1oh5A1 GLN 49 HA 0.02 0.04 0.49 -0.75 4.36 4.16 1oh5A1 GLN 49 HB2 0.03 0.10 0.17 -0.04 2.15 2.41 1oh5A1 GLN 49 HB3 0.03 -0.02 -0.02 -0.04 2.02 1.97 1oh5A1 GLN 49 HG2 0.02 0.06 0.05 -0.04 2.40 2.49 1oh5A1 GLN 49 HG3 0.02 -0.05 0.02 -0.04 2.39 2.34 1oh5A1 GLN 49 HE21 0.02 -0.03 0.01 -0.04 6.97 6.92 1oh5A1 GLN 49 HE22 0.02 -0.01 0.00 -0.04 7.69 7.67 1oh5A1 LEU 50 H 0.04 0.47 -0.04 -0.55 8.37 8.29 1oh5A1 LEU 50 HA 0.04 0.08 0.45 -0.75 4.35 4.16 1oh5A1 LEU 50 HB2 0.07 -0.05 0.08 -0.04 1.64 1.70 1oh5A1 LEU 50 HB3 0.06 0.01 -0.07 -0.04 1.64 1.60 1oh5A1 LEU 50 HG 0.05 0.18 0.03 -0.04 1.64 1.85 1oh5A1 LEU 50 HD13 0.06 -0.02 -0.08 -0.04 0.93 0.85 1oh5A1 LEU 50 HD23 0.04 -0.01 -0.04 -0.04 0.89 0.84 1oh5A1 LEU 51 H 0.06 0.52 -0.00 -0.55 8.37 8.40 1oh5A1 LEU 51 HA 0.15 0.09 0.40 -0.75 4.35 4.23 1oh5A1 LEU 51 HB2 0.04 0.08 -0.06 -0.04 1.64 1.66 1oh5A1 LEU 51 HB3 0.24 -0.07 -0.02 -0.04 1.64 1.74 1oh5A1 LEU 51 HG 0.10 -0.01 0.03 -0.04 1.64 1.72 1oh5A1 LEU 51 HD13 0.06 -0.03 -0.11 -0.04 0.93 0.81 1oh5A1 LEU 51 HD23 0.24 -0.00 -0.11 -0.04 0.89 0.98 1oh5A1 ASP 52 H 0.05 0.22 -0.41 -0.55 8.40 7.71 1oh5A1 ASP 52 HA 0.03 0.18 0.33 -0.75 4.63 4.43 1oh5A1 ASP 52 HB2 0.05 0.05 -0.25 -0.04 2.71 2.52 1oh5A1 ASP 52 HB3 0.07 0.10 0.26 -0.04 2.70 3.09 1oh5A1 ILE 53 H 0.01 0.26 0.13 -0.55 8.25 8.10 1oh5A1 ILE 53 HA 0.01 0.14 0.76 -0.75 4.18 4.33 1oh5A1 ILE 53 HB -0.07 -0.04 0.09 -0.04 1.89 1.83 1oh5A1 ILE 53 HG12 -0.05 -0.01 -0.23 -0.04 1.49 1.16 1oh5A1 ILE 53 HG13 -0.08 0.07 -0.34 -0.04 1.21 0.81 1oh5A1 ILE 53 HG23 -0.10 0.01 -0.35 -0.04 0.93 0.45 1oh5A1 ILE 53 HD13 -0.20 -0.00 -0.23 -0.04 0.88 0.41 1oh5A1 SER 54 H -0.02 0.10 0.13 -0.55 8.46 8.13 1oh5A1 SER 54 HA -0.01 0.06 0.30 -0.75 4.49 4.09 1oh5A1 SER 54 HB2 -0.01 0.02 0.05 -0.04 3.95 3.97 1oh5A1 SER 54 HB3 -0.01 -0.02 0.13 -0.04 3.93 3.98 1oh5A1 LEU 55 H -0.02 0.12 0.20 -0.55 8.37 8.13 1oh5A1 LEU 55 HA -0.04 0.15 0.77 -0.75 4.35 4.47 1oh5A1 LEU 55 HB2 -0.01 0.04 0.12 -0.04 1.64 1.75 1oh5A1 LEU 55 HB3 -0.01 -0.06 0.19 -0.04 1.64 1.72 1oh5A1 LEU 55 HG -0.02 0.06 -0.18 -0.04 1.64 1.45 1oh5A1 LEU 55 HD13 -0.02 0.03 -0.25 -0.04 0.93 0.64 1oh5A1 LEU 55 HD23 0.00 -0.02 -0.02 -0.04 0.89 0.81 1oh5A1 THR 56 H -0.06 0.74 0.35 -0.55 8.28 8.76 1oh5A1 THR 56 HA -0.03 0.13 0.77 -0.75 4.39 4.50 1oh5A1 THR 56 HB -0.05 -0.00 -0.11 -0.04 4.32 4.12 1oh5A1 THR 56 HG23 -0.08 0.03 -0.06 -0.04 1.22 1.07 1oh5A1 LYS 57 H -0.04 0.20 0.19 -0.55 8.42 8.21 1oh5A1 LYS 57 HA -0.04 0.29 0.81 -0.75 4.32 4.63 1oh5A1 LYS 57 HB2 -0.05 -0.06 -0.10 -0.04 1.87 1.63 1oh5A1 LYS 57 HB3 -0.03 0.04 -0.27 -0.04 1.79 1.49 1oh5A1 LYS 57 HG2 -0.03 -0.03 -0.03 -0.04 1.46 1.32 1oh5A1 LYS 57 HG3 -0.04 -0.06 -0.37 -0.04 1.46 0.95 1oh5A1 LYS 57 HD2 -0.03 -0.01 -0.08 -0.04 1.69 1.53 1oh5A1 LYS 57 HD3 -0.03 0.00 -0.11 -0.04 1.68 1.50 1oh5A1 LYS 57 HE2 -0.02 -0.02 -0.08 -0.04 2.99 2.82 1oh5A1 LYS 57 HE3 -0.02 0.00 -0.06 -0.04 2.99 2.88 1oh5A1 ARG 58 H -0.06 0.37 0.18 -0.55 8.46 8.40 1oh5A1 ARG 58 HA -0.04 0.10 0.87 -0.75 4.34 4.52 1oh5A1 ARG 58 HB2 -0.00 0.05 0.05 -0.04 1.90 1.96 1oh5A1 ARG 58 HB3 -0.09 0.04 0.10 -0.04 1.80 1.80 1oh5A1 ARG 58 HG2 -0.03 -0.01 0.07 -0.04 1.67 1.66 1oh5A1 ARG 58 HG3 0.01 0.03 -0.02 -0.04 1.67 1.65 1oh5A1 ARG 58 HD2 0.12 0.01 -0.05 -0.04 3.22 3.26 1oh5A1 ARG 58 HD3 -0.06 -0.01 -0.03 -0.04 3.22 3.08 1oh5A1 GLY 59 H -0.04 0.12 0.07 -0.55 8.43 8.03 1oh5A1 GLY 59 HA2 -0.04 -0.00 0.33 -0.51 4.01 3.79 1oh5A1 GLY 59 HA3 -0.03 0.04 0.31 -0.51 4.01 3.82 1oh5A1 ALA 60 H -0.03 0.17 0.19 -0.55 8.40 8.18 1oh5A1 ALA 60 HA -0.04 0.14 0.79 -0.75 4.34 4.48 1oh5A1 ALA 60 HB3 -0.03 0.02 -0.07 -0.04 1.41 1.29 1oh5A1 SER 61 H -0.03 0.18 0.03 -0.55 8.46 8.10 1oh5A1 SER 61 HA -0.02 0.12 0.30 -0.75 4.49 4.14 1oh5A1 SER 61 HB2 -0.02 0.01 0.15 -0.04 3.95 4.05 1oh5A1 SER 61 HB3 -0.02 -0.01 0.22 -0.04 3.93 4.08 1oh5A1 ALA 62 H -0.02 0.19 -0.07 -0.55 8.40 7.95 1oh5A1 ALA 62 HA -0.04 0.13 0.61 -0.75 4.34 4.29 1oh5A1 ALA 62 HB3 -0.05 0.04 0.14 -0.04 1.41 1.49 1oh5A1 GLY 63 H -0.01 0.11 -0.06 -0.55 8.43 7.92 1oh5A1 GLY 63 HA2 -0.01 -0.01 0.30 -0.51 4.01 3.79 1oh5A1 GLY 63 HA3 0.00 0.12 0.84 -0.51 4.01 4.46 1oh5A1 GLU 64 H 0.02 0.14 0.11 -0.55 8.60 8.33 1oh5A1 GLU 64 HA -0.00 0.05 0.30 -0.75 4.29 3.88 1oh5A1 GLU 64 HB2 0.02 0.13 0.05 -0.04 2.09 2.25 1oh5A1 GLU 64 HB3 0.01 -0.00 0.13 -0.04 1.99 2.09 1oh5A1 GLU 64 HG2 0.01 0.00 0.03 -0.04 2.34 2.34 1oh5A1 GLU 64 HG3 0.01 -0.11 0.01 -0.04 2.34 2.20 1oh5A1 PRO 65 HA -0.04 0.14 0.50 -0.51 4.44 4.53 1oh5A1 PRO 65 HB2 -0.04 -0.01 -0.11 -0.04 2.28 2.08 1oh5A1 PRO 65 HB3 -0.03 -0.03 -0.02 -0.04 2.02 1.90 1oh5A1 PRO 65 HG2 -0.02 0.05 -0.04 -0.04 2.03 1.98 1oh5A1 PRO 65 HG3 -0.02 0.02 0.01 -0.04 2.03 2.01 1oh5A1 PRO 65 HD2 -0.00 0.10 0.16 -0.04 3.68 3.90 1oh5A1 PRO 65 HD3 -0.01 0.10 0.17 -0.04 3.65 3.87 1oh5A1 ILE 66 H -0.10 0.26 0.14 -0.55 8.25 8.00 1oh5A1 ILE 66 HA -0.26 0.22 0.79 -0.75 4.18 4.18 1oh5A1 ILE 66 HB -0.27 -0.02 0.21 -0.04 1.89 1.76 1oh5A1 ILE 66 HG12 -0.23 0.04 -0.05 -0.04 1.49 1.22 1oh5A1 ILE 66 HG13 -0.13 0.00 -0.13 -0.04 1.21 0.91 1oh5A1 ILE 66 HG23 -0.93 0.02 -0.07 -0.04 0.93 -0.10 1oh5A1 ILE 66 HD13 -0.22 0.00 0.01 -0.04 0.88 0.63 1oh5A1 PRO 67 HA -0.05 0.25 0.59 -0.51 4.44 4.72 1oh5A1 PRO 67 HB2 -0.02 0.01 0.15 -0.04 2.28 2.38 1oh5A1 PRO 67 HB3 -0.01 0.07 0.05 -0.04 2.02 2.09 1oh5A1 PRO 67 HG2 0.04 -0.00 0.07 -0.04 2.03 2.10 1oh5A1 PRO 67 HG3 -0.01 0.08 0.05 -0.04 2.03 2.11 1oh5A1 PRO 67 HD2 -0.23 -0.02 0.30 -0.04 3.68 3.69 1oh5A1 PRO 67 HD3 -0.07 0.39 0.26 -0.04 3.65 4.19 1oh5A1 MET 68 H -0.05 0.75 0.27 -0.55 8.47 8.89 1oh5A1 MET 68 HA -0.17 0.34 0.96 -0.75 4.52 4.90 1oh5A1 MET 68 HB2 0.15 0.03 -0.20 -0.04 2.15 2.09 1oh5A1 MET 68 HB3 -0.04 -0.09 -0.24 -0.04 2.03 1.62 1oh5A1 MET 68 HG2 -0.19 -0.03 -0.26 -0.04 2.63 2.10 1oh5A1 MET 68 HG3 -0.50 0.11 0.09 -0.04 2.56 2.22 1oh5A1 MET 68 HE3 -0.13 -0.01 -0.14 -0.04 2.10 1.78 1oh5A1 ALA 69 H -0.27 0.41 0.32 -0.55 8.40 8.30 1oh5A1 ALA 69 HA -0.13 0.16 0.51 -0.75 4.34 4.13 1oh5A1 ALA 69 HB3 -0.11 0.01 -0.03 -0.04 1.41 1.24 1oh5A1 GLY 70 H -0.13 0.32 0.19 -0.55 8.43 8.26 1oh5A1 GLY 70 HA2 -0.22 0.18 0.69 -0.51 4.01 4.14 1oh5A1 GLY 70 HA3 -0.08 -0.00 0.28 -0.51 4.01 3.70 1oh5A1 ILE 71 H -0.01 0.49 0.26 -0.55 8.25 8.45 1oh5A1 ILE 71 HA -0.09 0.17 0.86 -0.75 4.18 4.37 1oh5A1 ILE 71 HB -0.34 0.05 -0.08 -0.04 1.89 1.48 1oh5A1 ILE 71 HG12 -0.54 0.03 -0.13 -0.04 1.49 0.81 1oh5A1 ILE 71 HG13 -0.22 -0.05 0.16 -0.04 1.21 1.06 1oh5A1 ILE 71 HG23 -0.83 -0.00 -0.27 -0.04 0.93 -0.21 1oh5A1 ILE 71 HD13 -0.06 0.02 -0.17 -0.04 0.88 0.63 1oh5A1 PRO 72 HA -1.03 0.25 0.56 -0.51 4.44 3.71 1oh5A1 PRO 72 HB2 -0.95 -0.09 0.04 -0.04 2.28 1.24 1oh5A1 PRO 72 HB3 -0.66 0.07 0.16 -0.04 2.02 1.55 1oh5A1 PRO 72 HG2 -0.42 -0.02 0.09 -0.04 2.03 1.64 1oh5A1 PRO 72 HG3 -0.21 0.08 0.10 -0.04 2.03 1.95 1oh5A1 PRO 72 HD2 -0.15 0.15 0.24 -0.04 3.68 3.88 1oh5A1 PRO 72 HD3 -0.14 0.16 0.18 -0.04 3.65 3.81 1oh5A1 TYR 73 H 0.03 0.54 0.30 -0.55 8.29 8.61 1oh5A1 TYR 73 HA 0.21 0.08 0.22 -0.75 4.56 4.31 1oh5A1 TYR 73 HB2 -0.03 0.03 0.00 -0.04 3.06 3.01 1oh5A1 TYR 73 HB3 -0.21 0.07 -0.09 -0.04 2.98 2.71 1oh5A1 TYR 73 HD2 -0.01 0.09 0.03 -0.04 7.15 7.21 1oh5A1 TYR 73 HE2 0.05 0.01 0.01 -0.04 6.85 6.88 1oh5A1 HIS 74 H -0.97 0.10 -0.16 -0.55 8.41 6.83 1oh5A1 HIS 74 HA -0.49 0.09 0.41 -0.75 4.63 3.89 1oh5A1 HIS 74 HB2 -0.34 0.02 0.11 -0.04 3.26 3.01 1oh5A1 HIS 74 HB3 -1.03 0.01 0.09 -0.04 3.20 2.23 1oh5A1 HIS 74 HD2 -0.38 -0.01 0.04 -0.04 6.97 6.58 1oh5A1 HIS 74 HE1 -0.08 0.03 -0.03 -0.04 7.75 7.62 1oh5A1 ALA 75 H -0.42 0.49 -0.41 -0.55 8.40 7.51 1oh5A1 ALA 75 HA -0.04 0.14 0.82 -0.75 4.34 4.50 1oh5A1 ALA 75 HB3 -0.03 0.03 0.06 -0.04 1.41 1.42 1oh5A1 VAL 76 H 0.01 0.44 -0.18 -0.55 8.24 7.96 1oh5A1 VAL 76 HA 0.13 0.07 0.15 -0.75 4.13 3.74 1oh5A1 VAL 76 HB 0.14 0.23 0.17 -0.04 2.12 2.63 1oh5A1 VAL 76 HG13 -0.00 -0.02 -0.07 -0.04 0.97 0.84 1oh5A1 VAL 76 HG23 -0.37 -0.01 -0.03 -0.04 0.95 0.51 1oh5A1 GLU 77 H 0.01 0.14 -0.20 -0.55 8.60 8.00 1oh5A1 GLU 77 HA -0.01 0.07 0.27 -0.75 4.29 3.86 1oh5A1 GLU 77 HB2 -0.01 0.02 0.02 -0.04 2.09 2.07 1oh5A1 GLU 77 HB3 -0.02 0.03 -0.04 -0.04 1.99 1.91 1oh5A1 GLU 77 HG2 0.00 -0.01 0.01 -0.04 2.34 2.30 1oh5A1 GLU 77 HG3 -0.01 0.02 -0.00 -0.04 2.34 2.31 1oh5A1 ASN 78 H -0.03 0.20 -0.27 -0.55 8.53 7.88 1oh5A1 ASN 78 HA -0.10 0.06 0.41 -0.75 4.76 4.38 1oh5A1 ASN 78 HB2 -0.32 0.11 0.11 -0.04 2.88 2.75 1oh5A1 ASN 78 HB3 -0.33 0.04 0.01 -0.04 2.79 2.48 1oh5A1 ASN 78 HD21 -0.05 0.00 0.03 -0.04 7.03 6.97 1oh5A1 ASN 78 HD22 -0.06 0.01 0.06 -0.04 7.74 7.71 1oh5A1 TYR 79 H 0.09 0.33 -0.17 -0.55 8.29 7.99 1oh5A1 TYR 79 HA 0.03 0.09 0.39 -0.75 4.56 4.32 1oh5A1 TYR 79 HB2 0.10 0.10 0.07 -0.04 3.06 3.29 1oh5A1 TYR 79 HB3 0.14 -0.02 -0.02 -0.04 2.98 3.04 1oh5A1 TYR 79 HD2 0.00 0.12 -0.02 -0.04 7.15 7.22 1oh5A1 TYR 79 HE2 -0.03 0.09 -0.03 -0.04 6.85 6.84 1oh5A1 LEU 80 H 0.09 0.41 -0.16 -0.55 8.37 8.16 1oh5A1 LEU 80 HA -0.06 0.05 0.36 -0.75 4.35 3.95 1oh5A1 LEU 80 HB2 -0.02 0.00 0.07 -0.04 1.64 1.65 1oh5A1 LEU 80 HB3 -0.07 -0.02 -0.11 -0.04 1.64 1.40 1oh5A1 LEU 80 HG -0.20 -0.00 -0.07 -0.04 1.64 1.33 1oh5A1 LEU 80 HD13 -0.13 -0.02 -0.19 -0.04 0.93 0.55 1oh5A1 LEU 80 HD23 -0.25 0.00 -0.04 -0.04 0.89 0.57 1oh5A1 ALA 81 H -0.02 0.47 -0.26 -0.55 8.40 8.05 1oh5A1 ALA 81 HA -0.03 0.01 0.47 -0.75 4.34 4.04 1oh5A1 ALA 81 HB3 -0.04 0.06 0.07 -0.04 1.41 1.46 1oh5A1 LYS 82 H -0.01 0.38 -0.13 -0.55 8.42 8.10 1oh5A1 LYS 82 HA -0.00 0.02 0.27 -0.75 4.32 3.86 1oh5A1 LYS 82 HB2 0.02 0.03 0.16 -0.04 1.87 2.04 1oh5A1 LYS 82 HB3 0.06 0.03 -0.08 -0.04 1.79 1.76 1oh5A1 LYS 82 HG2 0.02 0.03 0.03 -0.04 1.46 1.49 1oh5A1 LYS 82 HG3 -0.02 -0.05 0.04 -0.04 1.46 1.38 1oh5A1 LYS 82 HD2 0.06 0.02 0.02 -0.04 1.69 1.76 1oh5A1 LYS 82 HD3 0.01 0.01 0.01 -0.04 1.68 1.67 1oh5A1 LYS 82 HE2 -0.10 -0.05 -0.01 -0.04 2.99 2.78 1oh5A1 LYS 82 HE3 -0.18 0.03 -0.06 -0.04 2.99 2.74 1oh5A1 LEU 83 H 0.03 0.31 -0.50 -0.55 8.37 7.66 1oh5A1 LEU 83 HA 0.03 0.07 0.44 -0.75 4.35 4.13 1oh5A1 LEU 83 HB2 -0.03 0.11 0.06 -0.04 1.64 1.74 1oh5A1 LEU 83 HB3 -0.01 -0.02 -0.08 -0.04 1.64 1.49 1oh5A1 LEU 83 HG 0.11 0.16 -0.02 -0.04 1.64 1.84 1oh5A1 LEU 83 HD13 0.08 -0.03 -0.13 -0.04 0.93 0.81 1oh5A1 LEU 83 HD23 0.08 -0.02 -0.11 -0.04 0.89 0.81 1oh5A1 VAL 84 H -0.02 0.46 -0.00 -0.55 8.24 8.13 1oh5A1 VAL 84 HA -0.02 0.11 0.46 -0.75 4.13 3.93 1oh5A1 VAL 84 HB -0.04 0.06 0.08 -0.04 2.12 2.18 1oh5A1 VAL 84 HG13 -0.02 0.02 -0.07 -0.04 0.97 0.86 1oh5A1 VAL 84 HG23 -0.02 -0.00 -0.13 -0.04 0.95 0.75 1oh5A1 ASN 85 H -0.01 0.49 -0.19 -0.55 8.53 8.28 1oh5A1 ASN 85 HA -0.01 0.11 0.60 -0.75 4.76 4.71 1oh5A1 ASN 85 HB2 -0.00 0.07 0.01 -0.04 2.88 2.91 1oh5A1 ASN 85 HB3 -0.01 -0.05 0.07 -0.04 2.79 2.76 1oh5A1 ASN 85 HD21 -0.02 -0.08 -0.07 -0.04 7.03 6.83 1oh5A1 ASN 85 HD22 -0.01 -0.05 -0.11 -0.04 7.74 7.52 1oh5A1 GLN 86 H 0.01 0.21 -0.41 -0.55 8.47 7.73 1oh5A1 GLN 86 HA 0.01 0.10 0.74 -0.75 4.36 4.45 1oh5A1 GLN 86 HB2 0.02 0.14 0.15 -0.04 2.15 2.41 1oh5A1 GLN 86 HB3 0.02 -0.09 0.08 -0.04 2.02 1.98 1oh5A1 GLN 86 HG2 0.02 -0.07 0.05 -0.04 2.40 2.35 1oh5A1 GLN 86 HG3 0.01 0.14 0.05 -0.04 2.39 2.55 1oh5A1 GLN 86 HE21 0.04 -0.06 -0.08 -0.04 6.97 6.83 1oh5A1 GLN 86 HE22 0.03 0.16 -0.02 -0.04 7.69 7.81 1oh5A1 GLY 87 H 0.00 0.16 -0.37 -0.55 8.43 7.68 1oh5A1 GLY 87 HA2 0.01 0.08 0.29 -0.51 4.01 3.87 1oh5A1 GLY 87 HA3 0.01 0.03 0.53 -0.51 4.01 4.08 1oh5A1 GLU 88 H 0.00 0.46 0.11 -0.55 8.60 8.63 1oh5A1 GLU 88 HA 0.02 0.10 0.83 -0.75 4.29 4.48 1oh5A1 GLU 88 HB2 -0.00 -0.06 -0.06 -0.04 2.09 1.93 1oh5A1 GLU 88 HB3 0.01 0.02 0.00 -0.04 1.99 1.98 1oh5A1 GLU 88 HG2 0.02 0.04 -0.19 -0.04 2.34 2.17 1oh5A1 GLU 88 HG3 0.03 -0.06 -0.02 -0.04 2.34 2.25 1oh5A1 SER 89 H 0.02 0.11 0.18 -0.55 8.46 8.22 1oh5A1 SER 89 HA -0.02 0.34 0.92 -0.75 4.49 4.97 1oh5A1 SER 89 HB2 0.03 -0.06 0.06 -0.04 3.95 3.94 1oh5A1 SER 89 HB3 0.01 0.01 -0.08 -0.04 3.93 3.82 1oh5A1 VAL 90 H -0.10 0.60 0.23 -0.55 8.24 8.42 1oh5A1 VAL 90 HA -0.14 0.25 0.82 -0.75 4.13 4.31 1oh5A1 VAL 90 HB -0.30 -0.04 0.09 -0.04 2.12 1.83 1oh5A1 VAL 90 HG13 -0.83 -0.03 -0.31 -0.04 0.97 -0.25 1oh5A1 VAL 90 HG23 -0.27 0.00 -0.26 -0.04 0.95 0.38 1oh5A1 ALA 91 H -0.10 0.79 0.27 -0.55 8.40 8.81 1oh5A1 ALA 91 HA -0.17 0.11 0.90 -0.75 4.34 4.44 1oh5A1 ALA 91 HB3 -0.34 -0.00 0.07 -0.04 1.41 1.09 1oh5A1 ILE 92 H -0.10 0.79 0.43 -0.55 8.25 8.81 1oh5A1 ILE 92 HA 0.02 0.08 0.96 -0.75 4.18 4.49 1oh5A1 ILE 92 HB -0.04 0.07 0.24 -0.04 1.89 2.11 1oh5A1 ILE 92 HG12 -0.18 0.08 -0.14 -0.04 1.49 1.20 1oh5A1 ILE 92 HG13 -0.14 -0.03 -0.07 -0.04 1.21 0.93 1oh5A1 ILE 92 HG23 0.04 -0.03 -0.14 -0.04 0.93 0.76 1oh5A1 ILE 92 HD13 -0.37 -0.01 -0.12 -0.04 0.88 0.35 1oh5A1 CYS 93 H 0.20 0.58 0.31 -0.55 8.50 9.04 1oh5A1 CYS 93 HA 0.06 0.15 1.16 -0.75 4.58 5.20 1oh5A1 CYS 93 HB2 0.11 -0.02 -0.09 -0.04 2.97 2.93 1oh5A1 CYS 93 HB3 0.22 0.17 0.24 -0.04 2.97 3.55 1oh5A1 GLU 94 H 0.04 0.51 0.34 -0.55 8.60 8.94 1oh5A1 GLU 94 HA -0.00 0.10 0.94 -0.75 4.29 4.58 1oh5A1 GLU 94 HB2 0.03 0.04 0.01 -0.04 2.09 2.12 1oh5A1 GLU 94 HB3 0.01 0.02 0.14 -0.04 1.99 2.11 1oh5A1 GLU 94 HG2 0.11 -0.06 -0.20 -0.04 2.34 2.15 1oh5A1 GLU 94 HG3 0.08 0.06 -0.03 -0.04 2.34 2.40 1oh5A1 GLN 95 H -0.08 0.12 0.19 -0.55 8.47 8.15 1oh5A1 GLN 95 HA -0.06 0.26 0.88 -0.75 4.36 4.68 1oh5A1 GLN 95 HB2 -0.08 -0.01 0.13 -0.04 2.15 2.14 1oh5A1 GLN 95 HB3 -0.06 -0.03 -0.01 -0.04 2.02 1.88 1oh5A1 GLN 95 HG2 -0.12 0.06 0.02 -0.04 2.40 2.31 1oh5A1 GLN 95 HG3 -0.15 -0.00 0.03 -0.04 2.39 2.22 1oh5A1 GLN 95 HE21 -0.10 -0.07 0.03 -0.04 6.97 6.79 1oh5A1 GLN 95 HE22 -0.09 0.07 0.01 -0.04 7.69 7.63 1oh5A1 ILE 96 H -0.02 0.41 0.10 -0.55 8.25 8.19 1oh5A1 ILE 96 HA -0.01 0.18 0.66 -0.75 4.18 4.26 1oh5A1 ILE 96 HB 0.00 -0.13 -0.01 -0.04 1.89 1.72 1oh5A1 ILE 96 HG12 0.00 -0.05 -0.21 -0.04 1.49 1.19 1oh5A1 ILE 96 HG13 0.01 0.03 -0.11 -0.04 1.21 1.10 1oh5A1 ILE 96 HG23 0.01 0.01 -0.09 -0.04 0.93 0.81 1oh5A1 ILE 96 HD13 0.01 0.03 -0.30 -0.04 0.88 0.57 1oh5A1 GLY 97 H -0.01 0.00 0.08 -0.55 8.43 7.96 1oh5A1 GLY 97 HA2 -0.01 0.14 0.33 -0.51 4.01 3.97 1oh5A1 GLY 97 HA3 -0.01 -0.07 0.33 -0.51 4.01 3.76 1oh5A1 ASP 98 H -0.01 0.18 0.10 -0.55 8.40 8.12 1oh5A1 ASP 98 HA -0.03 0.26 0.80 -0.75 4.63 4.92 1oh5A1 ASP 98 HB2 -0.02 0.12 0.04 -0.04 2.71 2.82 1oh5A1 ASP 98 HB3 -0.01 0.00 0.14 -0.04 2.70 2.79 1oh5A1 PRO 99 HA -0.01 0.08 0.38 -0.51 4.44 4.39 1oh5A1 PRO 99 HB2 -0.02 0.04 0.00 -0.04 2.28 2.26 1oh5A1 PRO 99 HB3 -0.02 0.05 0.09 -0.04 2.02 2.10 1oh5A1 PRO 99 HG2 -0.04 0.05 0.08 -0.04 2.03 2.08 1oh5A1 PRO 99 HG3 -0.04 0.04 0.06 -0.04 2.03 2.06 1oh5A1 PRO 99 HD2 -0.03 0.09 0.20 -0.04 3.68 3.89 1oh5A1 PRO 99 HD3 -0.04 0.31 0.11 -0.04 3.65 3.99 1oh5A1 ALA 100 H -0.02 0.07 -0.26 -0.55 8.40 7.65 1oh5A1 ALA 100 HA -0.01 0.16 0.48 -0.75 4.34 4.21 1oh5A1 ALA 100 HB3 -0.01 0.00 0.05 -0.04 1.41 1.40 1oh5A1 THR 101 H -0.01 0.28 -0.38 -0.55 8.28 7.62 1oh5A1 THR 101 HA -0.00 0.19 0.74 -0.75 4.39 4.56 1oh5A1 THR 101 HB -0.00 -0.02 0.24 -0.04 4.32 4.50 1oh5A1 THR 101 HG23 -0.00 -0.00 -0.01 -0.04 1.22 1.16 1oh5A1 SER 102 H -0.00 0.42 -0.31 -0.55 8.46 8.02 1oh5A1 SER 102 HA 0.00 0.04 0.91 -0.75 4.49 4.69 1oh5A1 SER 102 HB2 -0.00 0.05 0.05 -0.04 3.95 4.00 1oh5A1 SER 102 HB3 0.00 0.13 -0.33 -0.04 3.93 3.70 1oh5A1 LYS 103 H 0.01 0.07 0.06 -0.55 8.42 8.00 1oh5A1 LYS 103 HA 0.01 0.08 0.48 -0.75 4.32 4.13 1oh5A1 LYS 103 HB2 0.01 0.00 0.10 -0.04 1.87 1.94 1oh5A1 LYS 103 HB3 0.01 -0.11 0.18 -0.04 1.79 1.83 1oh5A1 LYS 103 HG2 0.01 -0.01 -0.08 -0.04 1.46 1.34 1oh5A1 LYS 103 HG3 0.01 0.02 0.01 -0.04 1.46 1.46 1oh5A1 LYS 103 HD2 0.01 0.01 0.00 -0.04 1.69 1.67 1oh5A1 LYS 103 HD3 0.01 -0.01 0.02 -0.04 1.68 1.66 1oh5A1 LYS 103 HE2 0.01 -0.01 -0.00 -0.04 2.99 2.95 1oh5A1 LYS 103 HE3 0.01 -0.00 -0.02 -0.04 2.99 2.94 1oh5A1 GLY 104 H 0.02 -0.01 -0.02 -0.55 8.43 7.87 1oh5A1 GLY 104 HA2 0.02 0.08 0.37 -0.51 4.01 3.96 1oh5A1 GLY 104 HA3 0.03 0.02 0.33 -0.51 4.01 3.87 1oh5A1 PRO 105 HA 0.03 0.04 0.58 -0.51 4.44 4.57 1oh5A1 PRO 105 HB2 0.07 0.11 -0.05 -0.04 2.28 2.37 1oh5A1 PRO 105 HB3 0.07 0.00 0.05 -0.04 2.02 2.10 1oh5A1 PRO 105 HG2 0.06 0.17 -0.06 -0.04 2.03 2.16 1oh5A1 PRO 105 HG3 0.04 -0.09 -0.21 -0.04 2.03 1.74 1oh5A1 PRO 105 HD2 0.04 0.09 0.16 -0.04 3.68 3.93 1oh5A1 PRO 105 HD3 0.03 0.07 0.12 -0.04 3.65 3.83 1oh5A1 VAL 106 H 0.01 0.07 0.09 -0.55 8.24 7.85 1oh5A1 VAL 106 HA 0.00 0.01 0.39 -0.75 4.13 3.78 1oh5A1 VAL 106 HB -0.02 -0.01 0.02 -0.04 2.12 2.07 1oh5A1 VAL 106 HG13 -0.04 0.02 -0.04 -0.04 0.97 0.87 1oh5A1 VAL 106 HG23 -0.02 0.05 -0.15 -0.04 0.95 0.78 1oh5A1 GLU 107 H 0.00 -0.01 0.13 -0.55 8.60 8.18 1oh5A1 GLU 107 HA 0.03 0.14 0.41 -0.75 4.29 4.11 1oh5A1 GLU 107 HB2 0.01 0.05 0.12 -0.04 2.09 2.24 1oh5A1 GLU 107 HB3 0.01 -0.18 0.13 -0.04 1.99 1.91 1oh5A1 GLU 107 HG2 0.02 -0.02 -0.19 -0.04 2.34 2.10 1oh5A1 GLU 107 HG3 0.03 0.02 0.04 -0.04 2.34 2.38 1oh5A1 ARG 108 H 0.04 0.21 0.13 -0.55 8.46 8.29 1oh5A1 ARG 108 HA -0.01 0.21 0.87 -0.75 4.34 4.66 1oh5A1 ARG 108 HB2 0.06 -0.07 0.02 -0.04 1.90 1.87 1oh5A1 ARG 108 HB3 0.00 0.03 -0.11 -0.04 1.80 1.68 1oh5A1 ARG 108 HG2 -0.14 0.07 -0.11 -0.04 1.67 1.46 1oh5A1 ARG 108 HG3 -0.06 0.09 -0.55 -0.04 1.67 1.11 1oh5A1 ARG 108 HD2 -0.11 -0.07 -0.14 -0.04 3.22 2.86 1oh5A1 ARG 108 HD3 -0.75 -0.04 -0.18 -0.04 3.22 2.22 1oh5A1 LYS 109 H 0.02 0.25 0.14 -0.55 8.42 8.28 1oh5A1 LYS 109 HA 0.05 0.14 0.86 -0.75 4.32 4.62 1oh5A1 LYS 109 HB2 0.02 -0.07 0.01 -0.04 1.87 1.80 1oh5A1 LYS 109 HB3 0.03 0.22 -0.19 -0.04 1.79 1.82 1oh5A1 LYS 109 HG2 0.03 0.08 0.04 -0.04 1.46 1.57 1oh5A1 LYS 109 HG3 0.03 -0.06 -0.08 -0.04 1.46 1.31 1oh5A1 LYS 109 HD2 0.02 -0.08 -0.05 -0.04 1.69 1.53 1oh5A1 LYS 109 HD3 0.02 -0.00 -0.05 -0.04 1.68 1.61 1oh5A1 LYS 109 HE2 0.02 -0.05 -0.01 -0.04 2.99 2.91 1oh5A1 LYS 109 HE3 0.02 0.10 -0.00 -0.04 2.99 3.07 1oh5A1 VAL 110 H 0.07 0.15 0.11 -0.55 8.24 8.02 1oh5A1 VAL 110 HA 0.02 0.10 0.89 -0.75 4.13 4.39 1oh5A1 VAL 110 HB 0.09 -0.01 0.13 -0.04 2.12 2.29 1oh5A1 VAL 110 HG13 -0.11 0.03 -0.19 -0.04 0.97 0.66 1oh5A1 VAL 110 HG23 -0.08 -0.01 -0.11 -0.04 0.95 0.70 1oh5A1 VAL 111 H 0.02 0.33 0.32 -0.55 8.24 8.35 1oh5A1 VAL 111 HA 0.02 0.20 0.89 -0.75 4.13 4.48 1oh5A1 VAL 111 HB 0.02 0.07 0.10 -0.04 2.12 2.27 1oh5A1 VAL 111 HG13 0.03 -0.01 -0.10 -0.04 0.97 0.85 1oh5A1 VAL 111 HG23 0.04 -0.00 -0.05 -0.04 0.95 0.89 1oh5A1 ARG 112 H -0.02 0.23 0.26 -0.55 8.46 8.38 1oh5A1 ARG 112 HA -0.03 0.31 0.17 -0.75 4.34 4.03 1oh5A1 ARG 112 HB2 -0.04 0.11 0.18 -0.04 1.90 2.11 1oh5A1 ARG 112 HB3 -0.02 0.21 0.09 -0.04 1.80 2.04 1oh5A1 ARG 112 HG2 -0.02 -0.14 -0.02 -0.04 1.67 1.44 1oh5A1 ARG 112 HG3 -0.06 -0.07 -0.21 -0.04 1.67 1.29 1oh5A1 ARG 112 HD2 -0.03 -0.03 -0.07 -0.04 3.22 3.04 1oh5A1 ARG 112 HD3 -0.01 0.13 -0.06 -0.04 3.22 3.24 1oh5A1 ILE 113 H -0.07 0.91 0.31 -0.55 8.25 8.84 1oh5A1 ILE 113 HA -0.11 0.11 1.03 -0.75 4.18 4.45 1oh5A1 ILE 113 HB -0.11 -0.02 0.08 -0.04 1.89 1.80 1oh5A1 ILE 113 HG12 -0.13 -0.09 -0.06 -0.04 1.49 1.18 1oh5A1 ILE 113 HG13 -0.05 -0.01 -0.48 -0.04 1.21 0.63 1oh5A1 ILE 113 HG23 -0.06 -0.03 -0.31 -0.04 0.93 0.49 1oh5A1 ILE 113 HD13 0.10 0.02 -0.16 -0.04 0.88 0.80 1oh5A1 VAL 114 H -0.12 0.63 0.26 -0.55 8.24 8.45 1oh5A1 VAL 114 HA -0.06 0.10 0.68 -0.75 4.13 4.09 1oh5A1 VAL 114 HB -0.14 -0.01 0.22 -0.04 2.12 2.15 1oh5A1 VAL 114 HG13 -0.07 -0.01 -0.11 -0.04 0.97 0.74 1oh5A1 VAL 114 HG23 -0.11 -0.00 -0.06 -0.04 0.95 0.73 1oh5A1 THR 115 H -0.02 0.23 0.17 -0.55 8.28 8.11 1oh5A1 THR 115 HA 0.00 0.25 0.68 -0.75 4.39 4.58 1oh5A1 THR 115 HB 0.10 0.07 0.05 -0.04 4.32 4.50 1oh5A1 THR 115 HG23 0.01 0.03 -0.33 -0.04 1.22 0.89 1oh5A1 PRO 116 HA -0.00 0.08 0.11 -0.51 4.44 4.12 1oh5A1 PRO 116 HB2 0.01 0.15 -0.12 -0.04 2.28 2.28 1oh5A1 PRO 116 HB3 0.00 0.15 0.10 -0.04 2.02 2.22 1oh5A1 PRO 116 HG2 0.01 0.10 0.03 -0.04 2.03 2.13 1oh5A1 PRO 116 HG3 0.01 0.03 -0.06 -0.04 2.03 1.96 1oh5A1 PRO 116 HD2 0.04 0.08 0.06 -0.04 3.68 3.82 1oh5A1 PRO 116 HD3 0.03 0.10 0.03 -0.04 3.65 3.77 1oh5A1 GLY 117 H 0.03 0.04 -0.34 -0.55 8.43 7.61 1oh5A1 GLY 117 HA2 -0.00 0.23 0.51 -0.51 4.01 4.24 1oh5A1 GLY 117 HA3 0.00 -0.02 0.19 -0.51 4.01 3.68 1oh5A1 THR 118 H 0.03 0.27 -0.14 -0.55 8.28 7.89 1oh5A1 THR 118 HA 0.00 0.19 0.91 -0.75 4.39 4.74 1oh5A1 THR 118 HB -0.01 0.04 0.11 -0.04 4.32 4.42 1oh5A1 THR 118 HG23 0.08 -0.02 -0.13 -0.04 1.22 1.12 1oh5A1 ILE 119 H -0.01 0.20 -0.12 -0.55 8.25 7.77 1oh5A1 ILE 119 HA -0.03 -0.02 0.39 -0.75 4.18 3.77 1oh5A1 ILE 119 HB -0.02 -0.17 -0.08 -0.04 1.89 1.58 1oh5A1 ILE 119 HG12 -0.01 0.10 -0.04 -0.04 1.49 1.50 1oh5A1 ILE 119 HG13 -0.01 -0.00 -0.05 -0.04 1.21 1.10 1oh5A1 ILE 119 HG23 -0.03 0.06 -0.06 -0.04 0.93 0.86 1oh5A1 ILE 119 HD13 -0.01 -0.02 -0.26 -0.04 0.88 0.55 1oh5A1 SER 120 H -0.03 0.02 0.11 -0.55 8.46 8.02 1oh5A1 SER 120 HA -0.02 0.19 0.66 -0.75 4.49 4.57 1oh5A1 SER 120 HB2 -0.03 -0.05 0.02 -0.04 3.95 3.85 1oh5A1 SER 120 HB3 -0.02 0.19 -0.25 -0.04 3.93 3.81 1oh5A1 ASP 121 H -0.03 0.06 0.01 -0.55 8.40 7.90 1oh5A1 ASP 121 HA -0.03 0.19 0.78 -0.75 4.63 4.82 1oh5A1 ASP 121 HB2 -0.03 0.01 0.06 -0.04 2.71 2.71 1oh5A1 ASP 121 HB3 -0.02 -0.09 0.03 -0.04 2.70 2.58 1oh5A1 GLU 122 H -0.02 0.15 0.12 -0.55 8.60 8.30 1oh5A1 GLU 122 HA -0.02 0.12 0.23 -0.75 4.29 3.87 1oh5A1 GLU 122 HB2 -0.02 0.00 0.11 -0.04 2.09 2.14 1oh5A1 GLU 122 HB3 -0.02 -0.04 0.09 -0.04 1.99 1.98 1oh5A1 GLU 122 HG2 -0.02 0.03 -0.13 -0.04 2.34 2.19 1oh5A1 GLU 122 HG3 -0.02 0.03 0.05 -0.04 2.34 2.36 1oh5A1 ALA 123 H -0.02 -0.04 -0.34 -0.55 8.40 7.46 1oh5A1 ALA 123 HA -0.02 0.17 0.31 -0.75 4.34 4.04 1oh5A1 ALA 123 HB3 -0.02 -0.01 0.00 -0.04 1.41 1.34 1oh5A1 LEU 124 H -0.02 0.11 -0.25 -0.55 8.37 7.66 1oh5A1 LEU 124 HA -0.02 0.19 0.68 -0.75 4.35 4.44 1oh5A1 LEU 124 HB2 -0.02 0.02 -0.09 -0.04 1.64 1.50 1oh5A1 LEU 124 HB3 -0.02 0.06 0.04 -0.04 1.64 1.68 1oh5A1 LEU 124 HG -0.03 -0.15 -0.06 -0.04 1.64 1.36 1oh5A1 LEU 124 HD13 -0.04 -0.00 -0.09 -0.04 0.93 0.76 1oh5A1 LEU 124 HD23 -0.03 -0.00 -0.23 -0.04 0.89 0.59 1oh5A1 LEU 125 H -0.02 0.15 -0.32 -0.55 8.37 7.63 1oh5A1 LEU 125 HA -0.01 0.20 0.71 -0.75 4.35 4.50 1oh5A1 LEU 125 HB2 -0.02 0.03 -0.13 -0.04 1.64 1.49 1oh5A1 LEU 125 HB3 -0.01 0.01 -0.19 -0.04 1.64 1.40 1oh5A1 LEU 125 HG -0.02 -0.09 -0.33 -0.04 1.64 1.16 1oh5A1 LEU 125 HD13 -0.01 -0.00 -0.25 -0.04 0.93 0.62 1oh5A1 LEU 125 HD23 -0.01 0.06 -0.03 -0.04 0.89 0.86 1oh5A1 GLN 126 H -0.01 0.28 0.04 -0.55 8.47 8.24 1oh5A1 GLN 126 HA -0.01 0.16 0.84 -0.75 4.36 4.60 1oh5A1 GLN 126 HB2 -0.01 -0.01 0.02 -0.04 2.15 2.12 1oh5A1 GLN 126 HB3 -0.01 -0.03 -0.02 -0.04 2.02 1.92 1oh5A1 GLN 126 HG2 -0.01 -0.03 -0.29 -0.04 2.40 2.02 1oh5A1 GLN 126 HG3 -0.01 0.10 -0.03 -0.04 2.39 2.42 1oh5A1 GLN 126 HE21 -0.00 -0.02 -0.05 -0.04 6.97 6.86 1oh5A1 GLN 126 HE22 -0.00 0.05 -0.05 -0.04 7.69 7.64 1oh5A1 GLU 127 H -0.01 0.20 0.09 -0.55 8.60 8.34 1oh5A1 GLU 127 HA -0.01 0.00 0.29 -0.75 4.29 3.82 1oh5A1 GLU 127 HB2 -0.01 -0.01 0.13 -0.04 2.09 2.16 1oh5A1 GLU 127 HB3 -0.01 0.03 -0.02 -0.04 1.99 1.94 1oh5A1 GLU 127 HG2 -0.01 -0.05 0.07 -0.04 2.34 2.31 1oh5A1 GLU 127 HG3 -0.01 0.04 0.08 -0.04 2.34 2.41 1oh5A1 ARG 128 H -0.01 0.06 -0.36 -0.55 8.46 7.59 1oh5A1 ARG 128 HA -0.01 0.14 0.47 -0.75 4.34 4.19 1oh5A1 ARG 128 HB2 -0.00 0.02 0.02 -0.04 1.90 1.89 1oh5A1 ARG 128 HB3 -0.01 0.04 0.11 -0.04 1.80 1.90 1oh5A1 ARG 128 HG2 -0.01 -0.02 -0.10 -0.04 1.67 1.50 1oh5A1 ARG 128 HG3 -0.01 -0.14 -0.15 -0.04 1.67 1.32 1oh5A1 ARG 128 HD2 -0.01 -0.02 -0.05 -0.04 3.22 3.10 1oh5A1 ARG 128 HD3 -0.01 0.06 -0.03 -0.04 3.22 3.19 1oh5A1 GLN 129 H -0.00 0.56 -0.20 -0.55 8.47 8.27 1oh5A1 GLN 129 HA 0.00 0.12 0.88 -0.75 4.36 4.61 1oh5A1 GLN 129 HB2 -0.00 -0.13 -0.07 -0.04 2.15 1.91 1oh5A1 GLN 129 HB3 -0.00 0.15 -0.09 -0.04 2.02 2.04 1oh5A1 GLN 129 HG2 0.01 0.07 0.00 -0.04 2.40 2.44 1oh5A1 GLN 129 HG3 0.00 -0.04 -0.33 -0.04 2.39 1.99 1oh5A1 GLN 129 HE21 0.00 -0.02 -0.04 -0.04 6.97 6.87 1oh5A1 GLN 129 HE22 0.00 0.11 -0.04 -0.04 7.69 7.72 1oh5A1 ASP 130 H 0.01 0.14 0.10 -0.55 8.40 8.10 1oh5A1 ASP 130 HA 0.00 -0.03 0.31 -0.75 4.63 4.16 1oh5A1 ASP 130 HB2 0.01 0.11 0.09 -0.04 2.71 2.87 1oh5A1 ASP 130 HB3 0.01 -0.03 -0.04 -0.04 2.70 2.59 1oh5A1 ASN 131 H -0.00 0.05 0.09 -0.55 8.53 8.12 1oh5A1 ASN 131 HA -0.00 0.22 0.79 -0.75 4.76 5.02 1oh5A1 ASN 131 HB2 -0.01 0.02 0.01 -0.04 2.88 2.86 1oh5A1 ASN 131 HB3 -0.01 -0.05 0.21 -0.04 2.79 2.90 1oh5A1 ASN 131 HD21 -0.01 0.78 0.33 -0.04 7.03 8.09 1oh5A1 ASN 131 HD22 -0.01 -0.09 0.01 -0.04 7.74 7.62 1oh5A1 LEU 132 H -0.00 0.28 -0.00 -0.55 8.37 8.10 1oh5A1 LEU 132 HA -0.02 0.17 0.71 -0.75 4.35 4.46 1oh5A1 LEU 132 HB2 0.00 0.03 -0.04 -0.04 1.64 1.59 1oh5A1 LEU 132 HB3 -0.02 0.04 -0.06 -0.04 1.64 1.57 1oh5A1 LEU 132 HG 0.01 0.10 -0.08 -0.04 1.64 1.62 1oh5A1 LEU 132 HD13 0.03 -0.00 -0.12 -0.04 0.93 0.80 1oh5A1 LEU 132 HD23 0.00 -0.05 -0.25 -0.04 0.89 0.55 1oh5A1 LEU 133 H -0.05 0.44 0.47 -0.55 8.37 8.69 1oh5A1 LEU 133 HA -0.04 0.07 0.87 -0.75 4.35 4.49 1oh5A1 LEU 133 HB2 -0.02 0.12 0.08 -0.04 1.64 1.77 1oh5A1 LEU 133 HB3 -0.08 -0.04 0.15 -0.04 1.64 1.63 1oh5A1 LEU 133 HG -0.11 0.01 -0.19 -0.04 1.64 1.31 1oh5A1 LEU 133 HD13 -0.14 -0.02 0.03 -0.04 0.93 0.75 1oh5A1 LEU 133 HD23 0.05 -0.02 -0.10 -0.04 0.89 0.78 1oh5A1 ALA 134 H -0.08 0.50 0.29 -0.55 8.40 8.57 1oh5A1 ALA 134 HA -0.18 0.26 0.81 -0.75 4.34 4.47 1oh5A1 ALA 134 HB3 -0.13 -0.02 0.03 -0.04 1.41 1.25 1oh5A1 ALA 135 H -0.31 0.39 0.30 -0.55 8.40 8.24 1oh5A1 ALA 135 HA 0.01 0.32 0.87 -0.75 4.34 4.79 1oh5A1 ALA 135 HB3 -0.04 -0.02 -0.06 -0.04 1.41 1.25 1oh5A1 ILE 136 H 0.17 0.59 0.34 -0.55 8.25 8.80 1oh5A1 ILE 136 HA 0.37 0.31 1.18 -0.75 4.18 5.29 1oh5A1 ILE 136 HB 0.24 0.03 -0.05 -0.04 1.89 2.07 1oh5A1 ILE 136 HG12 0.24 -0.12 -0.07 -0.04 1.49 1.50 1oh5A1 ILE 136 HG13 0.35 0.15 0.20 -0.04 1.21 1.86 1oh5A1 ILE 136 HG23 -0.26 0.01 -0.08 -0.04 0.93 0.56 1oh5A1 ILE 136 HD13 -0.05 -0.01 -0.09 -0.04 0.88 0.69 1oh5A1 TRP 137 H 0.53 0.59 0.40 -0.55 7.97 8.94 1oh5A1 TRP 137 HA 0.11 -0.03 0.54 -0.75 4.62 4.48 1oh5A1 TRP 137 HB2 -0.42 0.00 0.11 -0.04 3.23 2.89 1oh5A1 TRP 137 HB3 0.27 0.04 -0.34 -0.04 3.23 3.16 1oh5A1 TRP 137 HD1 0.18 -0.11 -0.03 -0.04 7.22 7.22 1oh5A1 TRP 137 HE1 0.08 -0.12 -0.13 -0.04 10.20 9.98 1oh5A1 TRP 137 HE3 -0.36 -0.07 0.02 -0.04 7.59 7.14 1oh5A1 TRP 137 HZ2 0.04 -0.10 -0.08 -0.04 7.44 7.26 1oh5A1 TRP 137 HZ3 -0.01 -0.08 -0.00 -0.04 7.13 6.99 1oh5A1 TRP 137 HH2 0.03 -0.06 -0.01 -0.04 7.19 7.11 1oh5A1 GLN 138 H -0.44 0.18 0.18 -0.55 8.47 7.84 1oh5A1 GLN 138 HA -0.50 0.25 1.16 -0.75 4.36 4.52 1oh5A1 GLN 138 HB2 -0.09 0.00 -0.05 -0.04 2.15 1.97 1oh5A1 GLN 138 HB3 -0.39 -0.12 0.11 -0.04 2.02 1.58 1oh5A1 GLN 138 HG2 -0.52 0.10 -0.11 -0.04 2.40 1.82 1oh5A1 GLN 138 HG3 -0.87 0.20 0.17 -0.04 2.39 1.85 1oh5A1 GLN 138 HE21 -0.25 -0.08 -0.01 -0.04 6.97 6.59 1oh5A1 GLN 138 HE22 -0.57 0.15 -0.02 -0.04 7.69 7.20 1oh5A1 ASP 139 H -0.59 0.56 0.30 -0.55 8.40 8.11 1oh5A1 ASP 139 HA -0.54 0.22 0.85 -0.75 4.63 4.41 1oh5A1 ASP 139 HB2 -0.19 0.04 0.02 -0.04 2.71 2.54 1oh5A1 ASP 139 HB3 -0.14 -0.16 0.16 -0.04 2.70 2.52 1oh5A1 SER 140 H -0.16 0.16 0.16 -0.55 8.46 8.07 1oh5A1 SER 140 HA -0.19 0.14 0.51 -0.75 4.49 4.20 1oh5A1 SER 140 HB2 -0.08 0.02 0.05 -0.04 3.95 3.90 1oh5A1 SER 140 HB3 -0.10 0.04 0.16 -0.04 3.93 4.00 1oh5A1 LYS 141 H -0.19 -0.19 -0.40 -0.55 8.42 7.10 1oh5A1 LYS 141 HA -0.12 0.25 0.95 -0.75 4.32 4.64 1oh5A1 LYS 141 HB2 -0.06 -0.08 -0.00 -0.04 1.87 1.68 1oh5A1 LYS 141 HB3 -0.06 0.06 0.01 -0.04 1.79 1.77 1oh5A1 LYS 141 HG2 -0.04 0.03 -0.04 -0.04 1.46 1.37 1oh5A1 LYS 141 HG3 -0.07 0.14 -0.25 -0.04 1.46 1.25 1oh5A1 LYS 141 HD2 -0.05 0.03 -0.11 -0.04 1.69 1.51 1oh5A1 LYS 141 HD3 -0.05 -0.15 -0.05 -0.04 1.68 1.38 1oh5A1 LYS 141 HE2 -0.01 0.03 -0.02 -0.04 2.99 2.95 1oh5A1 LYS 141 HE3 -0.02 0.04 -0.02 -0.04 2.99 2.95 1oh5A1 GLY 142 H -0.26 -0.12 0.03 -0.55 8.43 7.53 1oh5A1 GLY 142 HA2 -0.28 0.25 0.48 -0.51 4.01 3.95 1oh5A1 GLY 142 HA3 -0.09 0.07 0.38 -0.51 4.01 3.86 1oh5A1 PHE 143 H 0.12 0.48 0.14 -0.55 8.34 8.53 1oh5A1 PHE 143 HA 0.02 0.15 1.15 -0.75 4.62 5.19 1oh5A1 PHE 143 HB2 0.06 0.05 0.01 -0.04 3.15 3.24 1oh5A1 PHE 143 HB3 0.14 0.09 0.02 -0.04 3.06 3.27 1oh5A1 PHE 143 HD2 0.08 0.11 -0.22 -0.04 7.28 7.22 1oh5A1 PHE 143 HE2 -0.16 -0.14 -0.30 -0.04 7.38 6.74 1oh5A1 PHE 143 HZ -0.14 -0.08 -0.06 -0.04 7.32 7.01 1oh5A1 GLY 144 H 0.54 0.71 0.37 -0.55 8.43 9.50 1oh5A1 GLY 144 HA2 0.34 0.20 0.83 -0.51 4.01 4.86 1oh5A1 GLY 144 HA3 0.55 0.13 0.13 -0.51 4.01 4.31 1oh5A1 TYR 145 H 0.27 0.37 0.33 -0.55 8.29 8.71 1oh5A1 TYR 145 HA 0.16 0.35 1.06 -0.75 4.56 5.38 1oh5A1 TYR 145 HB2 0.13 -0.05 -0.34 -0.04 3.06 2.76 1oh5A1 TYR 145 HB3 0.10 -0.05 -0.06 -0.04 2.98 2.92 1oh5A1 TYR 145 HD2 0.05 -0.05 -0.14 -0.04 7.15 6.97 1oh5A1 TYR 145 HE2 0.00 0.02 -0.18 -0.04 6.85 6.65 1oh5A1 ALA 146 H -0.50 0.46 0.36 -0.55 8.40 8.18 1oh5A1 ALA 146 HA -0.08 0.24 0.98 -0.75 4.34 4.72 1oh5A1 ALA 146 HB3 0.06 0.01 -0.08 -0.04 1.41 1.36 1oh5A1 THR 147 H 0.00 0.39 0.30 -0.55 8.28 8.43 1oh5A1 THR 147 HA -0.14 0.31 1.10 -0.75 4.39 4.90 1oh5A1 THR 147 HB -0.02 0.05 0.05 -0.04 4.32 4.36 1oh5A1 THR 147 HG23 -0.04 -0.01 -0.22 -0.04 1.22 0.91 1oh5A1 LEU 148 H -0.07 0.57 0.28 -0.55 8.37 8.61 1oh5A1 LEU 148 HA -0.10 0.38 0.82 -0.75 4.35 4.70 1oh5A1 LEU 148 HB2 -0.47 0.02 -0.19 -0.04 1.64 0.95 1oh5A1 LEU 148 HB3 -0.20 -0.05 0.04 -0.04 1.64 1.39 1oh5A1 LEU 148 HG -0.18 -0.11 -0.60 -0.04 1.64 0.71 1oh5A1 LEU 148 HD13 -0.44 0.04 -0.20 -0.04 0.93 0.28 1oh5A1 LEU 148 HD23 -0.32 -0.01 -0.11 -0.04 0.89 0.41 1oh5A1 ASP 149 H -0.03 0.47 0.10 -0.55 8.40 8.40 1oh5A1 ASP 149 HA -0.02 0.21 0.76 -0.75 4.63 4.83 1oh5A1 ASP 149 HB2 0.01 0.08 0.05 -0.04 2.71 2.81 1oh5A1 ASP 149 HB3 0.01 -0.14 0.14 -0.04 2.70 2.67 1oh5A1 ILE 150 H -0.02 0.43 0.07 -0.55 8.25 8.18 1oh5A1 ILE 150 HA -0.05 0.07 0.24 -0.75 4.18 3.68 1oh5A1 ILE 150 HB -0.03 0.08 0.12 -0.04 1.89 2.01 1oh5A1 ILE 150 HG12 0.07 -0.00 0.03 -0.04 1.49 1.54 1oh5A1 ILE 150 HG13 -0.03 -0.06 0.07 -0.04 1.21 1.14 1oh5A1 ILE 150 HG23 0.00 0.04 -0.27 -0.04 0.93 0.67 1oh5A1 ILE 150 HD13 -0.02 0.05 0.07 -0.04 0.88 0.93 1oh5A1 SER 151 H 0.02 0.07 -0.41 -0.55 8.46 7.60 1oh5A1 SER 151 HA 0.04 0.23 0.78 -0.75 4.49 4.78 1oh5A1 SER 151 HB2 -0.01 -0.08 0.18 -0.04 3.95 4.00 1oh5A1 SER 151 HB3 -0.01 0.07 0.03 -0.04 3.93 3.98 1oh5A1 SER 152 H 0.10 0.14 -0.39 -0.55 8.46 7.75 1oh5A1 SER 152 HA 0.08 0.12 0.18 -0.75 4.49 4.12 1oh5A1 SER 152 HB2 0.04 -0.00 0.10 -0.04 3.95 4.05 1oh5A1 SER 152 HB3 0.03 0.07 -0.13 -0.04 3.93 3.86 1oh5A1 GLY 153 H 0.02 0.39 0.10 -0.55 8.43 8.40 1oh5A1 GLY 153 HA2 -0.18 -0.01 0.21 -0.51 4.01 3.52 1oh5A1 GLY 153 HA3 -0.02 0.39 0.72 -0.51 4.01 4.59 1oh5A1 ARG 154 H 0.02 0.01 -0.31 -0.55 8.46 7.63 1oh5A1 ARG 154 HA 0.05 0.03 0.23 -0.75 4.34 3.90 1oh5A1 ARG 154 HB2 0.04 0.02 0.03 -0.04 1.90 1.96 1oh5A1 ARG 154 HB3 0.04 -0.12 0.08 -0.04 1.80 1.76 1oh5A1 ARG 154 HG2 0.06 -0.01 -0.23 -0.04 1.67 1.45 1oh5A1 ARG 154 HG3 0.05 0.03 -0.07 -0.04 1.67 1.64 1oh5A1 ARG 154 HD2 0.07 0.02 -0.06 -0.04 3.22 3.20 1oh5A1 ARG 154 HD3 0.06 -0.03 -0.06 -0.04 3.22 3.15 1oh5A1 PHE 155 H 0.12 0.16 0.21 -0.55 8.34 8.28 1oh5A1 PHE 155 HA -0.04 0.25 1.01 -0.75 4.62 5.09 1oh5A1 PHE 155 HB2 -0.04 0.19 0.18 -0.04 3.15 3.45 1oh5A1 PHE 155 HB3 -0.07 0.04 0.47 -0.04 3.06 3.46 1oh5A1 PHE 155 HD2 0.07 0.12 0.09 -0.04 7.28 7.51 1oh5A1 PHE 155 HE2 -0.05 -0.03 -0.07 -0.04 7.38 7.19 1oh5A1 PHE 155 HZ -0.07 0.08 -0.01 -0.04 7.32 7.29 1oh5A1 ARG 156 H 0.27 0.54 0.32 -0.55 8.46 9.04 1oh5A1 ARG 156 HA 0.01 0.18 1.10 -0.75 4.34 4.88 1oh5A1 ARG 156 HB2 0.08 -0.05 -0.03 -0.04 1.90 1.85 1oh5A1 ARG 156 HB3 0.06 0.04 -0.01 -0.04 1.80 1.84 1oh5A1 ARG 156 HG2 0.07 -0.10 -0.49 -0.04 1.67 1.11 1oh5A1 ARG 156 HG3 0.06 0.03 -0.17 -0.04 1.67 1.55 1oh5A1 ARG 156 HD2 0.03 0.03 -0.12 -0.04 3.22 3.12 1oh5A1 ARG 156 HD3 0.01 0.03 0.04 -0.04 3.22 3.27 1oh5A1 LEU 157 H 0.01 0.60 0.39 -0.55 8.37 8.82 1oh5A1 LEU 157 HA 0.02 0.23 0.98 -0.75 4.35 4.82 1oh5A1 LEU 157 HB2 -0.12 0.01 -0.25 -0.04 1.64 1.23 1oh5A1 LEU 157 HB3 -0.04 -0.01 -0.07 -0.04 1.64 1.48 1oh5A1 LEU 157 HG 0.00 0.04 -0.08 -0.04 1.64 1.57 1oh5A1 LEU 157 HD13 -0.07 -0.01 -0.24 -0.04 0.93 0.57 1oh5A1 LEU 157 HD23 0.03 -0.03 -0.22 -0.04 0.89 0.63 1oh5A1 SER 158 H 0.12 0.64 0.44 -0.55 8.46 9.12 1oh5A1 SER 158 HA 0.08 0.02 0.58 -0.75 4.49 4.42 1oh5A1 SER 158 HB2 0.10 -0.00 0.10 -0.04 3.95 4.11 1oh5A1 SER 158 HB3 0.12 0.11 -0.09 -0.04 3.93 4.02 1oh5A1 GLU 159 H 0.09 0.20 0.02 -0.55 8.60 8.37 1oh5A1 GLU 159 HA 0.18 0.38 0.99 -0.75 4.29 5.08 1oh5A1 GLU 159 HB2 0.08 -0.03 0.16 -0.04 2.09 2.26 1oh5A1 GLU 159 HB3 0.11 0.01 0.14 -0.04 1.99 2.21 1oh5A1 GLU 159 HG2 0.15 0.03 0.02 -0.04 2.34 2.51 1oh5A1 GLU 159 HG3 0.09 -0.02 -0.24 -0.04 2.34 2.14 1oh5A1 PRO 160 HA 0.07 0.02 0.48 -0.51 4.44 4.50 1oh5A1 PRO 160 HB2 0.13 -0.00 -0.07 -0.04 2.28 2.29 1oh5A1 PRO 160 HB3 0.02 -0.02 -0.21 -0.04 2.02 1.77 1oh5A1 PRO 160 HG2 -0.02 0.08 -0.12 -0.04 2.03 1.92 1oh5A1 PRO 160 HG3 0.03 0.10 -0.11 -0.04 2.03 2.01 1oh5A1 PRO 160 HD2 0.25 0.09 -0.14 -0.04 3.68 3.83 1oh5A1 PRO 160 HD3 0.18 0.14 -0.58 -0.04 3.65 3.35 1oh5A1 ALA 161 H 0.07 0.11 0.22 -0.55 8.40 8.25 1oh5A1 ALA 161 HA 0.06 0.10 0.31 -0.75 4.34 4.06 1oh5A1 ALA 161 HB3 0.04 0.00 0.15 -0.04 1.41 1.57 1oh5A1 ASP 162 H 0.11 0.00 -0.03 -0.55 8.40 7.94 1oh5A1 ASP 162 HA 0.12 0.34 0.87 -0.75 4.63 5.21 1oh5A1 ASP 162 HB2 0.07 -0.11 0.14 -0.04 2.71 2.76 1oh5A1 ASP 162 HB3 0.05 0.20 -0.06 -0.04 2.70 2.84 1oh5A1 ARG 163 H 0.14 0.23 0.13 -0.55 8.46 8.42 1oh5A1 ARG 163 HA 0.12 0.14 0.40 -0.75 4.34 4.24 1oh5A1 ARG 163 HB2 0.11 0.06 0.11 -0.04 1.90 2.14 1oh5A1 ARG 163 HB3 0.06 -0.01 0.16 -0.04 1.80 1.97 1oh5A1 ARG 163 HG2 0.00 -0.02 -0.30 -0.04 1.67 1.31 1oh5A1 ARG 163 HG3 -0.02 0.01 -0.08 -0.04 1.67 1.54 1oh5A1 ARG 163 HD2 0.01 0.01 -0.00 -0.04 3.22 3.20 1oh5A1 ARG 163 HD3 -0.00 0.01 -0.04 -0.04 3.22 3.14 1oh5A1 GLU 164 H 0.04 0.08 -0.20 -0.55 8.60 7.97 1oh5A1 GLU 164 HA -0.02 0.14 0.28 -0.75 4.29 3.94 1oh5A1 GLU 164 HB2 0.03 0.05 0.01 -0.04 2.09 2.14 1oh5A1 GLU 164 HB3 0.02 0.06 0.04 -0.04 1.99 2.06 1oh5A1 GLU 164 HG2 0.06 -0.05 0.04 -0.04 2.34 2.35 1oh5A1 GLU 164 HG3 0.07 0.09 0.01 -0.04 2.34 2.47 1oh5A1 THR 165 H 0.02 0.05 -0.11 -0.55 8.28 7.70 1oh5A1 THR 165 HA -0.04 0.15 0.57 -0.75 4.39 4.31 1oh5A1 THR 165 HB 0.02 -0.02 -0.04 -0.04 4.32 4.24 1oh5A1 THR 165 HG23 -0.02 0.04 0.01 -0.04 1.22 1.21 1oh5A1 MET 166 H -0.09 0.25 -0.44 -0.55 8.47 7.64 1oh5A1 MET 166 HA -0.23 0.08 0.44 -0.75 4.52 4.05 1oh5A1 MET 166 HB2 -0.45 0.05 0.00 -0.04 2.15 1.71 1oh5A1 MET 166 HB3 -0.48 0.19 0.12 -0.04 2.03 1.82 1oh5A1 MET 166 HG2 -1.41 -0.05 -0.08 -0.04 2.63 1.06 1oh5A1 MET 166 HG3 -0.46 0.03 -0.17 -0.04 2.56 1.92 1oh5A1 MET 166 HE3 -0.60 0.01 -0.07 -0.04 2.10 1.40 1oh5A1 ALA 167 H -0.14 0.33 -0.01 -0.55 8.40 8.04 1oh5A1 ALA 167 HA -0.13 0.13 0.50 -0.75 4.34 4.09 1oh5A1 ALA 167 HB3 -0.06 0.02 0.13 -0.04 1.41 1.46 1oh5A1 ALA 168 H -0.08 0.33 -0.25 -0.55 8.40 7.85 1oh5A1 ALA 168 HA -0.05 0.00 0.37 -0.75 4.34 3.90 1oh5A1 ALA 168 HB3 -0.06 0.05 0.16 -0.04 1.41 1.52 1oh5A1 GLU 169 H -0.15 0.31 -0.30 -0.55 8.60 7.91 1oh5A1 GLU 169 HA -0.09 0.11 0.45 -0.75 4.29 4.00 1oh5A1 GLU 169 HB2 -0.32 0.03 0.10 -0.04 2.09 1.85 1oh5A1 GLU 169 HB3 -0.36 -0.02 -0.07 -0.04 1.99 1.50 1oh5A1 GLU 169 HG2 -0.09 0.08 0.02 -0.04 2.34 2.31 1oh5A1 GLU 169 HG3 -0.09 -0.12 -0.06 -0.04 2.34 2.04 1oh5A1 LEU 170 H -0.21 0.41 -0.23 -0.55 8.37 7.80 1oh5A1 LEU 170 HA -0.14 0.02 0.50 -0.75 4.35 3.98 1oh5A1 LEU 170 HB2 -0.13 0.10 0.19 -0.04 1.64 1.76 1oh5A1 LEU 170 HB3 -0.08 0.03 -0.03 -0.04 1.64 1.52 1oh5A1 LEU 170 HG -0.28 -0.01 -0.01 -0.04 1.64 1.29 1oh5A1 LEU 170 HD13 -0.12 -0.01 -0.08 -0.04 0.93 0.68 1oh5A1 LEU 170 HD23 -0.04 -0.01 -0.05 -0.04 0.89 0.75 1oh5A1 GLN 171 H -0.08 0.39 -0.14 -0.55 8.47 8.09 1oh5A1 GLN 171 HA -0.04 0.04 0.31 -0.75 4.36 3.91 1oh5A1 GLN 171 HB2 -0.04 -0.03 0.11 -0.04 2.15 2.16 1oh5A1 GLN 171 HB3 -0.03 0.11 0.08 -0.04 2.02 2.13 1oh5A1 GLN 171 HG2 -0.00 0.06 -0.09 -0.04 2.40 2.32 1oh5A1 GLN 171 HG3 -0.02 -0.01 0.01 -0.04 2.39 2.33 1oh5A1 GLN 171 HE21 0.01 -0.00 -0.02 -0.04 6.97 6.91 1oh5A1 GLN 171 HE22 -0.00 0.01 -0.03 -0.04 7.69 7.63 1oh5A1 ARG 172 H -0.07 0.25 -0.34 -0.55 8.46 7.75 1oh5A1 ARG 172 HA -0.22 0.03 0.27 -0.75 4.34 3.66 1oh5A1 ARG 172 HB2 -0.02 0.03 0.10 -0.04 1.90 1.97 1oh5A1 ARG 172 HB3 -0.04 -0.05 0.12 -0.04 1.80 1.79 1oh5A1 ARG 172 HG2 -0.04 -0.02 -0.30 -0.04 1.67 1.27 1oh5A1 ARG 172 HG3 -0.02 0.02 -0.00 -0.04 1.67 1.62 1oh5A1 ARG 172 HD2 0.07 0.14 -0.16 -0.04 3.22 3.23 1oh5A1 ARG 172 HD3 0.03 -0.03 -0.00 -0.04 3.22 3.18 1oh5A1 THR 173 H -0.03 0.35 -0.16 -0.55 8.28 7.89 1oh5A1 THR 173 HA -0.01 0.07 0.39 -0.75 4.39 4.10 1oh5A1 THR 173 HB 0.11 -0.08 -0.11 -0.04 4.32 4.20 1oh5A1 THR 173 HG23 0.12 -0.02 -0.08 -0.04 1.22 1.21 1oh5A1 ASN 174 H -0.01 0.35 -0.07 -0.55 8.53 8.26 1oh5A1 ASN 174 HA -0.01 0.05 0.28 -0.75 4.76 4.32 1oh5A1 ASN 174 HB2 -0.05 0.20 -0.28 -0.04 2.88 2.70 1oh5A1 ASN 174 HB3 -0.04 0.11 -0.49 -0.04 2.79 2.32 1oh5A1 ASN 174 HD21 -0.01 -0.07 -0.05 -0.04 7.03 6.86 1oh5A1 ASN 174 HD22 -0.02 0.02 -0.05 -0.04 7.74 7.65 1oh5A1 PRO 175 HA 0.01 0.07 0.47 -0.51 4.44 4.48 1oh5A1 PRO 175 HB2 0.01 0.15 -0.17 -0.04 2.28 2.22 1oh5A1 PRO 175 HB3 0.03 -0.05 -0.14 -0.04 2.02 1.82 1oh5A1 PRO 175 HG2 0.03 0.03 -0.07 -0.04 2.03 1.98 1oh5A1 PRO 175 HG3 0.14 -0.07 -0.07 -0.04 2.03 1.99 1oh5A1 PRO 175 HD2 0.03 0.12 0.15 -0.04 3.68 3.93 1oh5A1 PRO 175 HD3 0.10 0.01 -0.07 -0.04 3.65 3.65 1oh5A1 ALA 176 H -0.00 0.28 0.24 -0.55 8.40 8.37 1oh5A1 ALA 176 HA -0.00 0.07 0.51 -0.75 4.34 4.17 1oh5A1 ALA 176 HB3 -0.00 0.00 -0.01 -0.04 1.41 1.35 1oh5A1 GLU 177 H -0.01 0.27 -0.11 -0.55 8.60 8.19 1oh5A1 GLU 177 HA -0.02 0.20 0.71 -0.75 4.29 4.43 1oh5A1 GLU 177 HB2 -0.00 -0.06 -0.20 -0.04 2.09 1.79 1oh5A1 GLU 177 HB3 -0.03 -0.08 0.08 -0.04 1.99 1.92 1oh5A1 GLU 177 HG2 -0.14 -0.05 -0.16 -0.04 2.34 1.95 1oh5A1 GLU 177 HG3 -0.04 0.29 0.06 -0.04 2.34 2.61 1oh5A1 LEU 178 H -0.03 0.62 -0.03 -0.55 8.37 8.39 1oh5A1 LEU 178 HA -0.03 0.19 0.86 -0.75 4.35 4.61 1oh5A1 LEU 178 HB2 -0.01 0.12 -0.27 -0.04 1.64 1.43 1oh5A1 LEU 178 HB3 -0.02 -0.11 -0.02 -0.04 1.64 1.46 1oh5A1 LEU 178 HG 0.06 0.04 -0.15 -0.04 1.64 1.55 1oh5A1 LEU 178 HD13 -0.07 -0.02 -0.15 -0.04 0.93 0.65 1oh5A1 LEU 178 HD23 0.07 0.02 -0.30 -0.04 0.89 0.64 1oh5A1 LEU 179 H -0.12 0.44 0.21 -0.55 8.37 8.35 1oh5A1 LEU 179 HA -0.07 0.21 0.71 -0.75 4.35 4.45 1oh5A1 LEU 179 HB2 -0.09 -0.10 0.01 -0.04 1.64 1.43 1oh5A1 LEU 179 HB3 -0.22 0.01 0.07 -0.04 1.64 1.46 1oh5A1 LEU 179 HG -0.31 0.21 0.15 -0.04 1.64 1.65 1oh5A1 LEU 179 HD13 -0.35 -0.03 -0.13 -0.04 0.93 0.39 1oh5A1 LEU 179 HD23 -1.12 -0.01 -0.06 -0.04 0.89 -0.35 1oh5A1 TYR 180 H -0.03 0.65 0.39 -0.55 8.29 8.74 1oh5A1 TYR 180 HA 0.04 0.27 0.76 -0.75 4.56 4.88 1oh5A1 TYR 180 HB2 -0.47 -0.11 0.05 -0.04 3.06 2.50 1oh5A1 TYR 180 HB3 -0.21 0.08 -0.28 -0.04 2.98 2.53 1oh5A1 TYR 180 HD2 -0.13 0.07 -0.18 -0.04 7.15 6.88 1oh5A1 TYR 180 HE2 0.01 -0.00 -0.16 -0.04 6.85 6.66 1oh5A1 ALA 181 H -0.14 0.16 0.19 -0.55 8.40 8.06 1oh5A1 ALA 181 HA -0.36 0.24 0.38 -0.75 4.34 3.85 1oh5A1 ALA 181 HB3 -0.48 -0.03 0.10 -0.04 1.41 0.97 1oh5A1 GLU 182 H -0.11 0.27 0.28 -0.55 8.60 8.50 1oh5A1 GLU 182 HA -0.10 0.13 0.40 -0.75 4.29 3.96 1oh5A1 GLU 182 HB2 -0.01 0.04 0.07 -0.04 2.09 2.16 1oh5A1 GLU 182 HB3 -0.06 0.08 0.08 -0.04 1.99 2.05 1oh5A1 GLU 182 HG2 0.01 -0.13 0.19 -0.04 2.34 2.37 1oh5A1 GLU 182 HG3 0.02 0.06 -0.11 -0.04 2.34 2.27 1oh5A1 ASP 183 H 0.01 0.01 -0.20 -0.55 8.40 7.68 1oh5A1 ASP 183 HA 0.03 0.19 0.48 -0.75 4.63 4.57 1oh5A1 ASP 183 HB2 -0.02 0.03 0.12 -0.04 2.71 2.80 1oh5A1 ASP 183 HB3 0.03 -0.06 0.07 -0.04 2.70 2.69 1oh5A1 PHE 184 H 0.23 0.42 -0.72 -0.55 8.34 7.71 1oh5A1 PHE 184 HA -0.06 -0.10 0.28 -0.75 4.62 3.98 1oh5A1 PHE 184 HB2 0.19 0.18 0.07 -0.04 3.15 3.54 1oh5A1 PHE 184 HB3 0.19 0.05 0.01 -0.04 3.06 3.27 1oh5A1 PHE 184 HD2 -0.02 -0.06 -0.22 -0.04 7.28 6.94 1oh5A1 PHE 184 HE2 0.10 0.08 -0.26 -0.04 7.38 7.26 1oh5A1 PHE 184 HZ -0.03 0.04 -0.12 -0.04 7.32 7.17 1oh5A1 ALA 185 H -0.43 0.08 0.19 -0.55 8.40 7.70 1oh5A1 ALA 185 HA -0.11 0.16 0.40 -0.75 4.34 4.03 1oh5A1 ALA 185 HB3 -0.21 0.01 0.09 -0.04 1.41 1.26 1oh5A1 GLU 186 H -0.70 0.09 -0.05 -0.55 8.60 7.40 1oh5A1 GLU 186 HA -0.11 0.13 0.49 -0.75 4.29 4.05 1oh5A1 GLU 186 HB2 -0.11 0.03 0.08 -0.04 2.09 2.05 1oh5A1 GLU 186 HB3 -0.17 0.04 0.17 -0.04 1.99 1.99 1oh5A1 GLU 186 HG2 0.02 0.03 0.05 -0.04 2.34 2.40 1oh5A1 GLU 186 HG3 -0.02 -0.16 0.03 -0.04 2.34 2.15 1oh5A1 MET 187 H -0.01 0.55 0.01 -0.55 8.47 8.48 1oh5A1 MET 187 HA 0.20 0.06 0.26 -0.75 4.52 4.29 1oh5A1 MET 187 HB2 0.03 0.02 0.05 -0.04 2.15 2.21 1oh5A1 MET 187 HB3 0.03 -0.02 0.07 -0.04 2.03 2.06 1oh5A1 MET 187 HG2 0.10 0.18 -0.04 -0.04 2.63 2.82 1oh5A1 MET 187 HG3 0.08 0.01 0.01 -0.04 2.56 2.62 1oh5A1 MET 187 HE3 -0.20 -0.02 -0.03 -0.04 2.10 1.81 1oh5A1 SER 188 H 0.00 0.03 -0.41 -0.55 8.46 7.54 1oh5A1 SER 188 HA 0.00 0.14 0.46 -0.75 4.49 4.34 1oh5A1 SER 188 HB2 -0.01 0.05 -0.03 -0.04 3.95 3.92 1oh5A1 SER 188 HB3 -0.00 0.01 0.05 -0.04 3.93 3.94 1oh5A1 LEU 189 H 0.03 0.23 -0.19 -0.55 8.37 7.89 1oh5A1 LEU 189 HA -0.03 0.06 0.47 -0.75 4.35 4.09 1oh5A1 LEU 189 HB2 0.09 0.08 0.02 -0.04 1.64 1.79 1oh5A1 LEU 189 HB3 -0.07 0.04 -0.07 -0.04 1.64 1.50 1oh5A1 LEU 189 HG -0.04 -0.12 0.02 -0.04 1.64 1.47 1oh5A1 LEU 189 HD13 -0.23 -0.02 0.01 -0.04 0.93 0.65 1oh5A1 LEU 189 HD23 -0.11 0.01 -0.02 -0.04 0.89 0.73 1oh5A1 ILE 190 H 0.01 0.09 -0.43 -0.55 8.25 7.37 1oh5A1 ILE 190 HA -0.10 0.20 0.57 -0.75 4.18 4.09 1oh5A1 ILE 190 HB -0.05 -0.09 -0.08 -0.04 1.89 1.64 1oh5A1 ILE 190 HG12 -0.50 -0.05 -0.15 -0.04 1.49 0.75 1oh5A1 ILE 190 HG13 -0.22 0.08 -0.10 -0.04 1.21 0.93 1oh5A1 ILE 190 HG23 -0.57 -0.02 -0.22 -0.04 0.93 0.08 1oh5A1 ILE 190 HD13 -0.12 0.02 -0.26 -0.04 0.88 0.47 1oh5A1 GLU 191 H -0.06 0.46 0.18 -0.55 8.60 8.63 1oh5A1 GLU 191 HA -0.08 0.00 0.49 -0.75 4.29 3.95 1oh5A1 GLU 191 HB2 -0.02 -0.04 0.09 -0.04 2.09 2.08 1oh5A1 GLU 191 HB3 -0.03 0.01 0.15 -0.04 1.99 2.08 1oh5A1 GLU 191 HG2 -0.01 0.06 -0.01 -0.04 2.34 2.34 1oh5A1 GLU 191 HG3 -0.01 0.05 -0.42 -0.04 2.34 1.92 1oh5A1 GLY 192 H -0.03 0.12 0.13 -0.55 8.43 8.11 1oh5A1 GLY 192 HA2 -0.01 -0.05 0.35 -0.51 4.01 3.79 1oh5A1 GLY 192 HA3 -0.02 0.15 0.70 -0.51 4.01 4.34 1oh5A1 ARG 193 H -0.05 0.40 -0.40 -0.55 8.46 7.87 1oh5A1 ARG 193 HA -0.02 0.05 0.48 -0.75 4.34 4.10 1oh5A1 ARG 193 HB2 -0.06 0.14 0.06 -0.04 1.90 2.00 1oh5A1 ARG 193 HB3 -0.03 0.12 -0.02 -0.04 1.80 1.82 1oh5A1 ARG 193 HG2 -0.03 -0.04 -0.02 -0.04 1.67 1.54 1oh5A1 ARG 193 HG3 -0.05 0.07 -0.00 -0.04 1.67 1.65 1oh5A1 ARG 193 HD2 -0.05 -0.05 -0.03 -0.04 3.22 3.06 1oh5A1 ARG 193 HD3 -0.05 -0.07 -0.04 -0.04 3.22 3.02 1oh5A1 ARG 194 H -0.01 0.17 0.11 -0.55 8.46 8.17 1oh5A1 ARG 194 HA -0.00 0.09 0.67 -0.75 4.34 4.34 1oh5A1 ARG 194 HB2 0.00 0.06 0.06 -0.04 1.90 1.98 1oh5A1 ARG 194 HB3 -0.00 -0.00 0.08 -0.04 1.80 1.83 1oh5A1 ARG 194 HG2 -0.01 -0.05 0.04 -0.04 1.67 1.62 1oh5A1 ARG 194 HG3 -0.01 0.04 0.04 -0.04 1.67 1.70 1oh5A1 ARG 194 HD2 -0.00 0.09 -0.00 -0.04 3.22 3.27 1oh5A1 ARG 194 HD3 -0.00 -0.03 -0.00 -0.04 3.22 3.14 1oh5A1 GLY 195 H 0.01 0.16 0.20 -0.55 8.43 8.24 1oh5A1 GLY 195 HA2 0.01 0.07 0.38 -0.51 4.01 3.96 1oh5A1 GLY 195 HA3 0.00 0.21 0.56 -0.51 4.01 4.27 1oh5A1 LEU 196 H 0.01 0.10 -0.30 -0.55 8.37 7.63 1oh5A1 LEU 196 HA 0.04 0.14 0.38 -0.75 4.35 4.16 1oh5A1 LEU 196 HB2 0.02 0.06 0.03 -0.04 1.64 1.70 1oh5A1 LEU 196 HB3 0.10 -0.09 -0.13 -0.04 1.64 1.48 1oh5A1 LEU 196 HG -0.10 -0.11 -0.11 -0.04 1.64 1.27 1oh5A1 LEU 196 HD13 -0.13 0.01 -0.10 -0.04 0.93 0.66 1oh5A1 LEU 196 HD23 -0.08 0.13 -0.19 -0.04 0.89 0.72 1oh5A1 ARG 197 H 0.18 0.45 0.13 -0.55 8.46 8.67 1oh5A1 ARG 197 HA 0.04 0.14 0.81 -0.75 4.34 4.57 1oh5A1 ARG 197 HB2 -0.10 -0.09 0.06 -0.04 1.90 1.73 1oh5A1 ARG 197 HB3 -0.06 0.00 -0.04 -0.04 1.80 1.66 1oh5A1 ARG 197 HG2 -0.02 0.27 -0.51 -0.04 1.67 1.37 1oh5A1 ARG 197 HG3 -0.11 -0.08 -0.15 -0.04 1.67 1.29 1oh5A1 ARG 197 HD2 0.05 -0.06 -0.03 -0.04 3.22 3.14 1oh5A1 ARG 197 HD3 0.04 0.29 -0.10 -0.04 3.22 3.41 1oh5A1 ARG 198 H -0.00 0.15 0.04 -0.55 8.46 8.09 1oh5A1 ARG 198 HA -1.08 0.11 0.57 -0.75 4.34 3.19 1oh5A1 ARG 198 HB2 -0.08 -0.00 0.08 -0.04 1.90 1.86 1oh5A1 ARG 198 HB3 -0.12 -0.01 0.06 -0.04 1.80 1.69 1oh5A1 ARG 198 HG2 -0.31 -0.02 -0.12 -0.04 1.67 1.19 1oh5A1 ARG 198 HG3 -0.59 0.03 -0.05 -0.04 1.67 1.02 1oh5A1 ARG 198 HD2 0.04 0.01 -0.01 -0.04 3.22 3.21 1oh5A1 ARG 198 HD3 -0.04 -0.02 -0.04 -0.04 3.22 3.08 1oh5A1 ARG 199 H -0.39 0.71 0.41 -0.55 8.46 8.64 1oh5A1 ARG 199 HA -0.13 0.20 0.91 -0.75 4.34 4.57 1oh5A1 ARG 199 HB2 0.19 -0.05 -0.06 -0.04 1.90 1.93 1oh5A1 ARG 199 HB3 -0.11 -0.01 0.01 -0.04 1.80 1.65 1oh5A1 ARG 199 HG2 -0.10 0.15 -0.10 -0.04 1.67 1.57 1oh5A1 ARG 199 HG3 -0.10 -0.03 -0.08 -0.04 1.67 1.41 1oh5A1 ARG 199 HD2 -0.08 0.22 -0.23 -0.04 3.22 3.10 1oh5A1 ARG 199 HD3 -0.09 -0.01 -0.20 -0.04 3.22 2.89 1oh5A1 PRO 200 HA -0.06 0.03 0.55 -0.51 4.44 4.45 1oh5A1 PRO 200 HB2 -0.33 -0.12 0.02 -0.04 2.28 1.81 1oh5A1 PRO 200 HB3 0.03 0.09 0.12 -0.04 2.02 2.23 1oh5A1 PRO 200 HG2 -0.99 -0.01 0.06 -0.04 2.03 1.06 1oh5A1 PRO 200 HG3 -0.04 0.13 0.08 -0.04 2.03 2.16 1oh5A1 PRO 200 HD2 -0.30 0.16 0.21 -0.04 3.68 3.71 1oh5A1 PRO 200 HD3 -0.12 0.25 0.18 -0.04 3.65 3.93 1oh5A1 LEU 201 H 0.04 0.17 0.21 -0.55 8.37 8.23 1oh5A1 LEU 201 HA 0.13 0.07 0.29 -0.75 4.35 4.09 1oh5A1 LEU 201 HB2 0.13 0.01 0.18 -0.04 1.64 1.92 1oh5A1 LEU 201 HB3 0.18 0.05 -0.06 -0.04 1.64 1.76 1oh5A1 LEU 201 HG 0.10 -0.09 0.10 -0.04 1.64 1.70 1oh5A1 LEU 201 HD13 0.13 0.02 0.01 -0.04 0.93 1.06 1oh5A1 LEU 201 HD23 0.30 0.02 0.03 -0.04 0.89 1.20 1oh5A1 TRP 202 H 0.09 0.10 -0.22 -0.55 7.97 7.39 1oh5A1 TRP 202 HA 0.05 0.02 0.21 -0.75 4.62 4.15 1oh5A1 TRP 202 HB2 0.01 0.04 0.05 -0.04 3.23 3.29 1oh5A1 TRP 202 HB3 0.03 -0.01 0.07 -0.04 3.23 3.27 1oh5A1 TRP 202 HD1 0.03 -0.06 0.01 -0.04 7.22 7.16 1oh5A1 TRP 202 HE1 0.02 0.03 -0.00 -0.04 10.20 10.21 1oh5A1 TRP 202 HE3 -0.02 -0.03 -0.31 -0.04 7.59 7.19 1oh5A1 TRP 202 HZ2 -0.00 0.04 -0.01 -0.04 7.44 7.42 1oh5A1 TRP 202 HZ3 -0.03 0.04 -0.08 -0.04 7.13 7.02 1oh5A1 TRP 202 HH2 -0.02 0.07 -0.04 -0.04 7.19 7.17 1oh5A1 GLU 203 H -0.61 0.33 -0.43 -0.55 8.60 7.35 1oh5A1 GLU 203 HA -0.21 0.08 0.39 -0.75 4.29 3.80 1oh5A1 GLU 203 HB2 -0.49 0.08 -0.05 -0.04 2.09 1.59 1oh5A1 GLU 203 HB3 -0.51 0.03 0.03 -0.04 1.99 1.50 1oh5A1 GLU 203 HG2 -1.57 -0.04 -0.05 -0.04 2.34 0.64 1oh5A1 GLU 203 HG3 -1.35 -0.01 -0.00 -0.04 2.34 0.94 1oh5A1 PHE 204 H 0.13 0.45 -0.27 -0.55 8.34 8.10 1oh5A1 PHE 204 HA -0.29 0.28 0.68 -0.75 4.62 4.54 1oh5A1 PHE 204 HB2 -0.17 0.03 0.06 -0.04 3.15 3.03 1oh5A1 PHE 204 HB3 -0.89 -0.10 0.06 -0.04 3.06 2.10 1oh5A1 PHE 204 HD2 -0.21 -0.01 -0.24 -0.04 7.28 6.78 1oh5A1 PHE 204 HE2 -0.03 0.06 -0.31 -0.04 7.38 7.06 1oh5A1 PHE 204 HZ -0.04 0.03 -0.34 -0.04 7.32 6.94 1oh5A1 GLU 205 H 0.00 0.43 -0.45 -0.55 8.60 8.04 1oh5A1 GLU 205 HA -0.03 0.02 0.61 -0.75 4.29 4.14 1oh5A1 GLU 205 HB2 0.09 -0.03 0.07 -0.04 2.09 2.18 1oh5A1 GLU 205 HB3 0.11 0.42 0.19 -0.04 1.99 2.67 1oh5A1 GLU 205 HG2 0.07 0.09 -0.00 -0.04 2.34 2.45 1oh5A1 GLU 205 HG3 0.03 -0.24 -0.22 -0.04 2.34 1.86 1oh5A1 ILE 206 H -0.04 0.13 0.15 -0.55 8.25 7.95 1oh5A1 ILE 206 HA -0.09 0.16 0.15 -0.75 4.18 3.64 1oh5A1 ILE 206 HB -0.06 0.09 0.07 -0.04 1.89 1.95 1oh5A1 ILE 206 HG12 -0.00 0.01 -0.04 -0.04 1.49 1.42 1oh5A1 ILE 206 HG13 -0.01 -0.01 -0.29 -0.04 1.21 0.86 1oh5A1 ILE 206 HG23 0.01 -0.00 0.06 -0.04 0.93 0.96 1oh5A1 ILE 206 HD13 -0.04 0.03 -0.01 -0.04 0.88 0.82 1oh5A1 ASP 207 H -0.00 0.12 0.01 -0.55 8.40 7.98 1oh5A1 ASP 207 HA -0.01 0.10 0.49 -0.75 4.63 4.46 1oh5A1 ASP 207 HB2 0.01 0.00 0.05 -0.04 2.71 2.73 1oh5A1 ASP 207 HB3 0.00 0.07 0.03 -0.04 2.70 2.76 1oh5A1 THR 208 H -0.00 0.08 -0.30 -0.55 8.28 7.51 1oh5A1 THR 208 HA -0.00 0.07 0.51 -0.75 4.39 4.21 1oh5A1 THR 208 HB 0.02 0.04 0.00 -0.04 4.32 4.34 1oh5A1 THR 208 HG23 0.04 0.04 -0.16 -0.04 1.22 1.09 1oh5A1 ALA 209 H -0.05 0.27 -0.29 -0.55 8.40 7.79 1oh5A1 ALA 209 HA -0.08 0.08 0.43 -0.75 4.34 4.02 1oh5A1 ALA 209 HB3 -0.10 0.08 -0.06 -0.04 1.41 1.29 1oh5A1 ARG 210 H -0.03 0.37 -0.23 -0.55 8.46 8.01 1oh5A1 ARG 210 HA -0.02 0.01 0.23 -0.75 4.34 3.81 1oh5A1 ARG 210 HB2 -0.01 0.06 0.16 -0.04 1.90 2.08 1oh5A1 ARG 210 HB3 0.00 -0.01 -0.04 -0.04 1.80 1.71 1oh5A1 ARG 210 HG2 0.00 -0.05 -0.03 -0.04 1.67 1.55 1oh5A1 ARG 210 HG3 -0.01 0.10 -0.00 -0.04 1.67 1.72 1oh5A1 ARG 210 HD2 0.00 -0.02 -0.02 -0.04 3.22 3.14 1oh5A1 ARG 210 HD3 0.01 -0.02 -0.01 -0.04 3.22 3.16 1oh5A1 GLN 211 H -0.02 0.48 -0.12 -0.55 8.47 8.26 1oh5A1 GLN 211 HA -0.01 0.03 0.36 -0.75 4.36 3.98 1oh5A1 GLN 211 HB2 -0.01 -0.02 0.12 -0.04 2.15 2.20 1oh5A1 GLN 211 HB3 -0.02 0.04 0.17 -0.04 2.02 2.18 1oh5A1 GLN 211 HG2 -0.01 -0.01 -0.03 -0.04 2.40 2.30 1oh5A1 GLN 211 HG3 -0.01 -0.04 -0.02 -0.04 2.39 2.28 1oh5A1 GLN 211 HE21 -0.01 0.02 -0.04 -0.04 6.97 6.90 1oh5A1 GLN 211 HE22 -0.01 -0.07 0.00 -0.04 7.69 7.58 1oh5A1 GLN 212 H -0.04 0.55 -0.21 -0.55 8.47 8.22 1oh5A1 GLN 212 HA -0.06 0.02 0.35 -0.75 4.36 3.91 1oh5A1 GLN 212 HB2 -0.06 0.13 0.12 -0.04 2.15 2.30 1oh5A1 GLN 212 HB3 -0.07 0.00 -0.04 -0.04 2.02 1.87 1oh5A1 GLN 212 HG2 -0.03 -0.10 0.02 -0.04 2.40 2.25 1oh5A1 GLN 212 HG3 -0.02 0.00 -0.01 -0.04 2.39 2.32 1oh5A1 GLN 212 HE21 -0.02 0.02 -0.02 -0.04 6.97 6.90 1oh5A1 GLN 212 HE22 -0.03 -0.05 -0.05 -0.04 7.69 7.52 1oh5A1 LEU 213 H -0.10 0.45 -0.31 -0.55 8.37 7.86 1oh5A1 LEU 213 HA -0.44 0.09 0.36 -0.75 4.35 3.61 1oh5A1 LEU 213 HB2 -0.09 0.04 0.09 -0.04 1.64 1.64 1oh5A1 LEU 213 HB3 -0.15 -0.07 -0.15 -0.04 1.64 1.23 1oh5A1 LEU 213 HG -0.11 0.04 -0.07 -0.04 1.64 1.45 1oh5A1 LEU 213 HD13 -0.08 -0.04 -0.19 -0.04 0.93 0.58 1oh5A1 LEU 213 HD23 -0.14 0.00 -0.15 -0.04 0.89 0.56 1oh5A1 ASN 214 H -0.05 0.58 -0.02 -0.55 8.53 8.49 1oh5A1 ASN 214 HA 0.13 -0.09 0.33 -0.75 4.76 4.38 1oh5A1 ASN 214 HB2 0.00 0.15 0.12 -0.04 2.88 3.11 1oh5A1 ASN 214 HB3 0.03 0.20 -0.08 -0.04 2.79 2.90 1oh5A1 ASN 214 HD21 0.05 -0.25 -0.13 -0.04 7.03 6.66 1oh5A1 ASN 214 HD22 0.02 0.20 -0.24 -0.04 7.74 7.67 1oh5A1 LEU 215 H -0.06 0.63 -0.20 -0.55 8.37 8.20 1oh5A1 LEU 215 HA -0.01 -0.03 0.33 -0.75 4.35 3.89 1oh5A1 LEU 215 HB2 -0.03 -0.02 0.10 -0.04 1.64 1.65 1oh5A1 LEU 215 HB3 -0.07 0.10 0.16 -0.04 1.64 1.79 1oh5A1 LEU 215 HG -0.04 0.06 -0.25 -0.04 1.64 1.37 1oh5A1 LEU 215 HD13 -0.01 -0.02 0.00 -0.04 0.93 0.86 1oh5A1 LEU 215 HD23 -0.03 -0.02 -0.03 -0.04 0.89 0.77 1oh5A1 GLN 216 H -0.20 0.48 -0.22 -0.55 8.47 7.99 1oh5A1 GLN 216 HA -0.08 -0.03 0.32 -0.75 4.36 3.81 1oh5A1 GLN 216 HB2 -0.19 -0.06 0.13 -0.04 2.15 2.00 1oh5A1 GLN 216 HB3 -0.51 0.09 0.22 -0.04 2.02 1.77 1oh5A1 GLN 216 HG2 -0.24 -0.09 -0.01 -0.04 2.40 2.02 1oh5A1 GLN 216 HG3 -0.30 0.09 -0.23 -0.04 2.39 1.91 1oh5A1 GLN 216 HE21 0.01 0.08 0.12 -0.04 6.97 7.13 1oh5A1 GLN 216 HE22 0.09 0.67 0.18 -0.04 7.69 8.59 1oh5A1 PHE 217 H -0.25 0.47 -0.20 -0.55 8.34 7.81 1oh5A1 PHE 217 HA 0.04 0.17 0.66 -0.75 4.62 4.74 1oh5A1 PHE 217 HB2 0.15 -0.08 -0.03 -0.04 3.15 3.15 1oh5A1 PHE 217 HB3 0.20 -0.04 0.03 -0.04 3.06 3.21 1oh5A1 PHE 217 HD2 -0.07 0.03 -0.23 -0.04 7.28 6.98 1oh5A1 PHE 217 HE2 -0.16 -0.03 -0.25 -0.04 7.38 6.90 1oh5A1 PHE 217 HZ -0.33 0.00 -0.26 -0.04 7.32 6.70 1oh5A1 GLY 218 H 0.09 0.52 -0.37 -0.55 8.43 8.13 1oh5A1 GLY 218 HA2 0.07 0.02 0.32 -0.51 4.01 3.91 1oh5A1 GLY 218 HA3 0.10 -0.02 0.44 -0.51 4.01 4.01 1oh5A1 THR 219 H 0.15 0.49 -0.06 -0.55 8.28 8.30 1oh5A1 THR 219 HA 0.07 0.15 0.90 -0.75 4.39 4.76 1oh5A1 THR 219 HB 0.08 -0.15 0.13 -0.04 4.32 4.34 1oh5A1 THR 219 HG23 0.22 0.05 -0.18 -0.04 1.22 1.26 1oh5A1 ARG 220 H 0.03 0.08 0.18 -0.55 8.46 8.20 1oh5A1 ARG 220 HA 0.03 0.20 0.66 -0.75 4.34 4.48 1oh5A1 ARG 220 HB2 0.01 -0.06 0.06 -0.04 1.90 1.87 1oh5A1 ARG 220 HB3 0.01 0.00 0.06 -0.04 1.80 1.83 1oh5A1 ARG 220 HG2 0.01 0.01 0.05 -0.04 1.67 1.71 1oh5A1 ARG 220 HG3 0.01 -0.01 0.01 -0.04 1.67 1.64 1oh5A1 ARG 220 HD2 0.02 -0.01 -0.07 -0.04 3.22 3.11 1oh5A1 ARG 220 HD3 0.03 0.04 -0.46 -0.04 3.22 2.79 1oh5A1 ASP 221 H 0.03 0.12 0.13 -0.55 8.40 8.14 1oh5A1 ASP 221 HA 0.05 0.22 0.37 -0.75 4.63 4.51 1oh5A1 ASP 221 HB2 0.02 -0.09 0.15 -0.04 2.71 2.75 1oh5A1 ASP 221 HB3 0.02 0.18 -0.03 -0.04 2.70 2.83 1oh5A1 LEU 222 H 0.06 0.19 0.07 -0.55 8.37 8.15 1oh5A1 LEU 222 HA 0.24 0.30 0.67 -0.75 4.35 4.81 1oh5A1 LEU 222 HB2 0.10 -0.02 -0.03 -0.04 1.64 1.64 1oh5A1 LEU 222 HB3 0.22 0.01 0.03 -0.04 1.64 1.85 1oh5A1 LEU 222 HG 0.13 -0.06 -0.24 -0.04 1.64 1.44 1oh5A1 LEU 222 HD13 0.06 0.02 -0.13 -0.04 0.93 0.85 1oh5A1 LEU 222 HD23 0.39 0.05 -0.26 -0.04 0.89 1.03 1oh5A1 VAL 223 H -0.01 0.17 -0.35 -0.55 8.24 7.50 1oh5A1 VAL 223 HA -0.01 -0.03 0.38 -0.75 4.13 3.72 1oh5A1 VAL 223 HB -0.05 0.04 0.05 -0.04 2.12 2.12 1oh5A1 VAL 223 HG13 -0.03 0.03 -0.08 -0.04 0.97 0.85 1oh5A1 VAL 223 HG23 -0.01 -0.01 0.00 -0.04 0.95 0.90 1oh5A1 GLY 224 H -0.20 0.14 -0.10 -0.55 8.43 7.72 1oh5A1 GLY 224 HA2 -0.16 0.09 0.35 -0.51 4.01 3.78 1oh5A1 GLY 224 HA3 -0.37 0.10 0.29 -0.51 4.01 3.52 1oh5A1 PHE 225 H -0.16 0.05 -0.53 -0.55 8.34 7.15 1oh5A1 PHE 225 HA -0.08 0.21 0.66 -0.75 4.62 4.66 1oh5A1 PHE 225 HB2 -0.08 -0.07 0.03 -0.04 3.15 2.99 1oh5A1 PHE 225 HB3 -0.15 0.30 0.20 -0.04 3.06 3.37 1oh5A1 PHE 225 HD2 -0.10 -0.01 0.01 -0.04 7.28 7.14 1oh5A1 PHE 225 HE2 -0.07 0.07 0.00 -0.04 7.38 7.34 1oh5A1 PHE 225 HZ -0.15 0.19 0.00 -0.04 7.32 7.33 1oh5A1 GLY 226 H 0.01 0.37 -0.25 -0.55 8.43 8.02 1oh5A1 GLY 226 HA2 0.01 0.01 0.33 -0.51 4.01 3.85 1oh5A1 GLY 226 HA3 0.02 0.11 0.40 -0.51 4.01 4.02 1oh5A1 VAL 227 H 0.07 0.23 -0.17 -0.55 8.24 7.82 1oh5A1 VAL 227 HA 0.02 0.23 0.89 -0.75 4.13 4.52 1oh5A1 VAL 227 HB -0.00 -0.04 -0.04 -0.04 2.12 1.99 1oh5A1 VAL 227 HG13 -0.02 0.07 -0.35 -0.04 0.97 0.63 1oh5A1 VAL 227 HG23 0.06 0.00 -0.21 -0.04 0.95 0.76 1oh5A1 GLU 228 H 0.04 0.17 -0.09 -0.55 8.60 8.17 1oh5A1 GLU 228 HA 0.03 0.07 0.27 -0.75 4.29 3.91 1oh5A1 GLU 228 HB2 0.03 -0.16 -0.28 -0.04 2.09 1.64 1oh5A1 GLU 228 HB3 0.02 0.05 -0.05 -0.04 1.99 1.96 1oh5A1 GLU 228 HG2 0.01 0.02 -0.07 -0.04 2.34 2.27 1oh5A1 GLU 228 HG3 0.02 0.08 -0.18 -0.04 2.34 2.21 1oh5A1 ASN 229 H 0.02 0.09 -0.51 -0.55 8.53 7.58 1oh5A1 ASN 229 HA 0.02 0.12 0.52 -0.75 4.76 4.66 1oh5A1 ASN 229 HB2 0.02 0.05 -0.10 -0.04 2.88 2.81 1oh5A1 ASN 229 HB3 0.02 0.01 0.12 -0.04 2.79 2.90 1oh5A1 ASN 229 HD21 0.00 0.01 -0.03 -0.04 7.03 6.97 1oh5A1 ASN 229 HD22 0.01 0.03 -0.02 -0.04 7.74 7.72 1oh5A1 ALA 230 H 0.02 0.57 -0.58 -0.55 8.40 7.87 1oh5A1 ALA 230 HA 0.04 0.20 0.90 -0.75 4.34 4.73 1oh5A1 ALA 230 HB3 0.03 0.02 0.00 -0.04 1.41 1.43 1oh5A1 PRO 231 HA 0.01 0.08 0.46 -0.51 4.44 4.48 1oh5A1 PRO 231 HB2 0.06 0.02 -0.06 -0.04 2.28 2.25 1oh5A1 PRO 231 HB3 0.03 0.06 0.04 -0.04 2.02 2.10 1oh5A1 PRO 231 HG2 0.07 -0.05 0.06 -0.04 2.03 2.07 1oh5A1 PRO 231 HG3 0.05 0.08 0.01 -0.04 2.03 2.13 1oh5A1 PRO 231 HD2 0.05 0.32 0.01 -0.04 3.68 4.02 1oh5A1 PRO 231 HD3 0.03 0.16 -0.31 -0.04 3.65 3.49 1oh5A1 ARG 232 H 0.12 0.19 -0.13 -0.55 8.46 8.09 1oh5A1 ARG 232 HA 0.40 0.04 0.29 -0.75 4.34 4.32 1oh5A1 ARG 232 HB2 0.17 -0.03 0.04 -0.04 1.90 2.04 1oh5A1 ARG 232 HB3 0.29 0.17 -0.20 -0.04 1.80 2.01 1oh5A1 ARG 232 HG2 0.37 -0.04 -0.14 -0.04 1.67 1.81 1oh5A1 ARG 232 HG3 0.17 -0.01 -0.05 -0.04 1.67 1.74 1oh5A1 ARG 232 HD2 0.15 0.32 -0.18 -0.04 3.22 3.47 1oh5A1 ARG 232 HD3 0.07 -0.12 -0.48 -0.04 3.22 2.65 1oh5A1 GLY 233 H 0.11 0.11 -0.32 -0.55 8.43 7.78 1oh5A1 GLY 233 HA2 0.15 -0.03 0.48 -0.51 4.01 4.10 1oh5A1 GLY 233 HA3 0.08 0.10 0.25 -0.51 4.01 3.94 1oh5A1 LEU 234 H 0.00 0.50 -0.08 -0.55 8.37 8.25 1oh5A1 LEU 234 HA -0.07 0.05 0.40 -0.75 4.35 3.98 1oh5A1 LEU 234 HB2 -0.03 -0.00 0.12 -0.04 1.64 1.68 1oh5A1 LEU 234 HB3 -0.05 -0.04 -0.09 -0.04 1.64 1.41 1oh5A1 LEU 234 HG -0.01 0.21 -0.04 -0.04 1.64 1.76 1oh5A1 LEU 234 HD13 0.00 -0.04 -0.19 -0.04 0.93 0.67 1oh5A1 LEU 234 HD23 -0.03 -0.02 -0.15 -0.04 0.89 0.65 1oh5A1 CYS 235 H -0.14 0.53 -0.32 -0.55 8.50 8.02 1oh5A1 CYS 235 HA -0.25 0.01 0.20 -0.75 4.58 3.78 1oh5A1 CYS 235 HB2 -0.79 0.15 0.08 -0.04 2.97 2.36 1oh5A1 CYS 235 HB3 -0.82 0.03 0.00 -0.04 2.97 2.14 1oh5A1 ALA 236 H -0.07 0.23 -0.23 -0.55 8.40 7.79 1oh5A1 ALA 236 HA 0.06 0.02 0.34 -0.75 4.34 4.00 1oh5A1 ALA 236 HB3 0.12 0.07 -0.14 -0.04 1.41 1.42 1oh5A1 ALA 237 H -0.04 0.54 -0.20 -0.55 8.40 8.14 1oh5A1 ALA 237 HA 0.15 0.01 0.22 -0.75 4.34 3.97 1oh5A1 ALA 237 HB3 -0.15 0.01 0.03 -0.04 1.41 1.26 1oh5A1 GLY 238 H -0.12 0.68 -0.14 -0.55 8.43 8.31 1oh5A1 GLY 238 HA2 -0.07 -0.00 0.36 -0.51 4.01 3.78 1oh5A1 GLY 238 HA3 -0.14 0.01 0.28 -0.51 4.01 3.65 1oh5A1 CYS 239 H -0.36 0.45 -0.18 -0.55 8.50 7.87 1oh5A1 CYS 239 HA -0.35 -0.00 0.44 -0.75 4.58 3.91 1oh5A1 CYS 239 HB2 -1.35 0.04 -0.15 -0.04 2.97 1.48 1oh5A1 CYS 239 HB3 -0.68 0.12 0.03 -0.04 2.97 2.40 1oh5A1 LEU 240 H -0.15 0.61 -0.15 -0.55 8.37 8.14 1oh5A1 LEU 240 HA -0.11 0.01 0.33 -0.75 4.35 3.83 1oh5A1 LEU 240 HB2 -0.06 0.02 -0.08 -0.04 1.64 1.48 1oh5A1 LEU 240 HB3 0.05 0.16 0.10 -0.04 1.64 1.90 1oh5A1 LEU 240 HG -0.15 0.03 -0.22 -0.04 1.64 1.25 1oh5A1 LEU 240 HD13 -0.24 -0.02 -0.30 -0.04 0.93 0.33 1oh5A1 LEU 240 HD23 -0.12 0.02 -0.44 -0.04 0.89 0.31 1oh5A1 LEU 241 H 0.00 0.67 -0.14 -0.55 8.37 8.36 1oh5A1 LEU 241 HA -0.12 0.00 0.20 -0.75 4.35 3.67 1oh5A1 LEU 241 HB2 0.11 0.00 0.03 -0.04 1.64 1.74 1oh5A1 LEU 241 HB3 0.02 0.10 0.08 -0.04 1.64 1.80 1oh5A1 LEU 241 HG -0.06 -0.02 -0.29 -0.04 1.64 1.23 1oh5A1 LEU 241 HD13 -0.08 -0.01 0.01 -0.04 0.93 0.81 1oh5A1 LEU 241 HD23 -0.12 0.00 -0.17 -0.04 0.89 0.56 1oh5A1 GLN 242 H -0.07 0.53 -0.24 -0.55 8.47 8.15 1oh5A1 GLN 242 HA -0.03 0.01 0.41 -0.75 4.36 3.99 1oh5A1 GLN 242 HB2 -0.09 0.17 0.19 -0.04 2.15 2.38 1oh5A1 GLN 242 HB3 -0.03 -0.05 -0.05 -0.04 2.02 1.84 1oh5A1 GLN 242 HG2 0.04 -0.06 0.00 -0.04 2.40 2.34 1oh5A1 GLN 242 HG3 -0.02 -0.02 0.02 -0.04 2.39 2.33 1oh5A1 GLN 242 HE21 -0.03 -0.01 -0.04 -0.04 6.97 6.86 1oh5A1 GLN 242 HE22 -0.05 -0.05 -0.02 -0.04 7.69 7.53 1oh5A1 TYR 243 H 0.04 0.57 -0.23 -0.55 8.29 8.12 1oh5A1 TYR 243 HA -0.07 -0.02 0.48 -0.75 4.56 4.20 1oh5A1 TYR 243 HB2 -0.12 0.07 0.14 -0.04 3.06 3.10 1oh5A1 TYR 243 HB3 -0.11 0.20 0.18 -0.04 2.98 3.21 1oh5A1 TYR 243 HD2 -0.07 0.01 -0.11 -0.04 7.15 6.94 1oh5A1 TYR 243 HE2 -0.03 -0.04 -0.09 -0.04 6.85 6.64 1oh5A1 ALA 244 H 0.01 0.60 0.00 -0.55 8.40 8.47 1oh5A1 ALA 244 HA -0.02 -0.01 0.25 -0.75 4.34 3.81 1oh5A1 ALA 244 HB3 -0.10 0.02 0.04 -0.04 1.41 1.32 1oh5A1 LYS 245 H -0.06 0.47 -0.36 -0.55 8.42 7.92 1oh5A1 LYS 245 HA -0.05 0.05 0.46 -0.75 4.32 4.03 1oh5A1 LYS 245 HB2 -0.04 0.11 0.08 -0.04 1.87 1.98 1oh5A1 LYS 245 HB3 -0.04 -0.06 0.05 -0.04 1.79 1.70 1oh5A1 LYS 245 HG2 -0.04 -0.01 0.03 -0.04 1.46 1.39 1oh5A1 LYS 245 HG3 -0.06 0.00 0.03 -0.04 1.46 1.39 1oh5A1 LYS 245 HD2 -0.07 -0.03 -0.04 -0.04 1.69 1.52 1oh5A1 LYS 245 HD3 -0.05 0.01 -0.03 -0.04 1.68 1.57 1oh5A1 LYS 245 HE2 -0.03 -0.01 -0.01 -0.04 2.99 2.90 1oh5A1 LYS 245 HE3 -0.05 -0.01 -0.01 -0.04 2.99 2.89 1oh5A1 ASP 246 H -0.11 0.33 -0.27 -0.55 8.40 7.80 1oh5A1 ASP 246 HA -0.06 0.03 0.60 -0.75 4.63 4.45 1oh5A1 ASP 246 HB2 -0.09 0.11 0.18 -0.04 2.71 2.87 1oh5A1 ASP 246 HB3 -0.27 0.04 0.12 -0.04 2.70 2.54 1oh5A1 THR 247 H -0.21 0.48 -0.17 -0.55 8.28 7.83 1oh5A1 THR 247 HA -0.14 -0.02 0.50 -0.75 4.39 3.98 1oh5A1 THR 247 HB -0.11 0.11 0.11 -0.04 4.32 4.39 1oh5A1 THR 247 HG23 -0.40 -0.02 -0.05 -0.04 1.22 0.71 1oh5A1 GLN 248 H -0.07 0.24 -0.14 -0.55 8.47 7.96 1oh5A1 GLN 248 HA -0.04 0.06 0.54 -0.75 4.36 4.17 1oh5A1 GLN 248 HB2 -0.03 0.03 0.19 -0.04 2.15 2.30 1oh5A1 GLN 248 HB3 -0.02 -0.00 -0.00 -0.04 2.02 1.95 1oh5A1 GLN 248 HG2 -0.02 0.06 0.05 -0.04 2.40 2.45 1oh5A1 GLN 248 HG3 0.00 -0.01 0.01 -0.04 2.39 2.35 1oh5A1 GLN 248 HE21 -0.04 -0.01 -0.15 -0.04 6.97 6.72 1oh5A1 GLN 248 HE22 -0.05 0.03 -0.08 -0.04 7.69 7.54 1oh5A1 ARG 249 H -0.03 0.35 -0.01 -0.55 8.46 8.21 1oh5A1 ARG 249 HA -0.01 0.02 0.36 -0.75 4.34 3.94 1oh5A1 ARG 249 HB2 -0.01 0.39 -0.03 -0.04 1.90 2.21 1oh5A1 ARG 249 HB3 0.00 -0.14 0.32 -0.04 1.80 1.95 1oh5A1 ARG 249 HG2 0.01 -0.09 0.04 -0.04 1.67 1.59 1oh5A1 ARG 249 HG3 -0.01 -0.02 0.08 -0.04 1.67 1.68 1oh5A1 ARG 249 HD2 -0.02 0.02 -0.47 -0.04 3.22 2.71 1oh5A1 ARG 249 HD3 0.00 -0.08 -0.40 -0.04 3.22 2.70 1oh5A1 THR 250 H -0.01 0.17 -0.11 -0.55 8.28 7.78 1oh5A1 THR 250 HA -0.00 0.04 0.45 -0.75 4.39 4.12 1oh5A1 THR 250 HB -0.01 -0.10 0.19 -0.04 4.32 4.36 1oh5A1 THR 250 HG23 -0.01 0.06 -0.07 -0.04 1.22 1.17 1oh5A1 THR 251 H 0.00 0.07 0.12 -0.55 8.28 7.92 1oh5A1 THR 251 HA 0.00 0.07 0.61 -0.75 4.39 4.32 1oh5A1 THR 251 HB 0.02 -0.03 0.09 -0.04 4.32 4.35 1oh5A1 THR 251 HG23 0.01 -0.01 0.04 -0.04 1.22 1.22 1oh5A1 LEU 252 H 0.02 0.14 -0.02 -0.55 8.37 7.97 1oh5A1 LEU 252 HA 0.19 0.21 0.67 -0.75 4.35 4.66 1oh5A1 LEU 252 HB2 -0.03 -0.00 0.19 -0.04 1.64 1.75 1oh5A1 LEU 252 HB3 -0.05 -0.04 0.11 -0.04 1.64 1.63 1oh5A1 LEU 252 HG 0.01 0.08 -0.45 -0.04 1.64 1.23 1oh5A1 LEU 252 HD13 -0.06 -0.01 -0.12 -0.04 0.93 0.70 1oh5A1 LEU 252 HD23 0.08 0.05 -0.04 -0.04 0.89 0.94 1oh5A1 PRO 253 HA 0.08 0.17 0.45 -0.51 4.44 4.63 1oh5A1 PRO 253 HB2 0.06 0.02 -0.01 -0.04 2.28 2.31 1oh5A1 PRO 253 HB3 0.05 0.00 0.08 -0.04 2.02 2.11 1oh5A1 PRO 253 HG2 0.05 -0.00 0.00 -0.04 2.03 2.04 1oh5A1 PRO 253 HG3 0.02 0.07 0.03 -0.04 2.03 2.11 1oh5A1 PRO 253 HD2 0.10 0.30 -0.06 -0.04 3.68 3.97 1oh5A1 PRO 253 HD3 0.05 0.01 -0.23 -0.04 3.65 3.43 1oh5A1 HIS 254 H 0.59 0.13 -0.36 -0.55 8.41 8.23 1oh5A1 HIS 254 HA 0.02 0.12 0.61 -0.75 4.63 4.63 1oh5A1 HIS 254 HB2 0.00 0.04 -0.07 -0.04 3.26 3.19 1oh5A1 HIS 254 HB3 -0.01 0.00 -0.02 -0.04 3.20 3.13 1oh5A1 HIS 254 HD2 -0.02 -0.20 -0.31 -0.04 6.97 6.39 1oh5A1 HIS 254 HE1 -0.04 0.05 -0.01 -0.04 7.75 7.70 1oh5A1 ILE 255 H -0.08 0.39 -0.48 -0.55 8.25 7.54 1oh5A1 ILE 255 HA -0.05 0.14 0.80 -0.75 4.18 4.32 1oh5A1 ILE 255 HB -0.06 0.14 0.22 -0.04 1.89 2.15 1oh5A1 ILE 255 HG12 -0.53 -0.03 -0.19 -0.04 1.49 0.70 1oh5A1 ILE 255 HG13 -0.60 -0.02 -0.05 -0.04 1.21 0.50 1oh5A1 ILE 255 HG23 0.15 0.00 -0.01 -0.04 0.93 1.04 1oh5A1 ILE 255 HD13 -0.32 0.00 -0.04 -0.04 0.88 0.49 1oh5A1 ARG 256 H 0.03 0.25 -0.06 -0.55 8.46 8.12 1oh5A1 ARG 256 HA 0.20 0.24 0.64 -0.75 4.34 4.66 1oh5A1 ARG 256 HB2 0.08 -0.03 0.15 -0.04 1.90 2.05 1oh5A1 ARG 256 HB3 0.08 0.14 -0.09 -0.04 1.80 1.89 1oh5A1 ARG 256 HG2 0.03 0.08 -0.06 -0.04 1.67 1.68 1oh5A1 ARG 256 HG3 0.02 -0.05 -0.16 -0.04 1.67 1.44 1oh5A1 ARG 256 HD2 0.05 -0.02 -0.01 -0.04 3.22 3.20 1oh5A1 ARG 256 HD3 0.06 -0.06 0.01 -0.04 3.22 3.19 1oh5A1 SER 257 H -0.14 0.27 -0.15 -0.55 8.46 7.89 1oh5A1 SER 257 HA -1.48 0.02 0.52 -0.75 4.49 2.80 1oh5A1 SER 257 HB2 -0.12 0.13 -0.44 -0.04 3.95 3.47 1oh5A1 SER 257 HB3 -0.16 -0.03 -0.16 -0.04 3.93 3.55 1oh5A1 ILE 258 H -1.19 0.21 0.18 -0.55 8.25 6.90 1oh5A1 ILE 258 HA -0.25 0.39 0.60 -0.75 4.18 4.17 1oh5A1 ILE 258 HB -0.66 0.06 -0.11 -0.04 1.89 1.14 1oh5A1 ILE 258 HG12 -0.31 0.01 -0.26 -0.04 1.49 0.88 1oh5A1 ILE 258 HG13 -0.65 0.05 -0.38 -0.04 1.21 0.19 1oh5A1 ILE 258 HG23 -0.42 -0.04 -0.17 -0.04 0.93 0.26 1oh5A1 ILE 258 HD13 -0.75 -0.02 -0.22 -0.04 0.88 -0.15 1oh5A1 THR 259 H -0.11 0.51 0.35 -0.55 8.28 8.47 1oh5A1 THR 259 HA -0.04 0.25 1.08 -0.75 4.39 4.92 1oh5A1 THR 259 HB -0.01 -0.00 -0.02 -0.04 4.32 4.24 1oh5A1 THR 259 HG23 0.00 0.02 0.08 -0.04 1.22 1.27 1oh5A1 MET 260 H -0.00 0.23 0.18 -0.55 8.47 8.33 1oh5A1 MET 260 HA 0.00 0.10 0.65 -0.75 4.52 4.52 1oh5A1 MET 260 HB2 0.01 0.06 0.02 -0.04 2.15 2.19 1oh5A1 MET 260 HB3 0.01 -0.00 0.12 -0.04 2.03 2.11 1oh5A1 MET 260 HG2 0.01 -0.03 -0.06 -0.04 2.63 2.51 1oh5A1 MET 260 HG3 0.02 -0.02 -0.29 -0.04 2.56 2.23 1oh5A1 MET 260 HE3 0.03 -0.02 -0.06 -0.04 2.10 2.02 1oh5A1 GLU 261 H 0.03 0.43 0.26 -0.55 8.60 8.77 1oh5A1 GLU 261 HA 0.01 0.15 0.84 -0.75 4.29 4.54 1oh5A1 GLU 261 HB2 0.05 0.10 0.12 -0.04 2.09 2.32 1oh5A1 GLU 261 HB3 0.04 -0.01 0.05 -0.04 1.99 2.03 1oh5A1 GLU 261 HG2 0.02 0.05 -0.04 -0.04 2.34 2.33 1oh5A1 GLU 261 HG3 0.03 0.03 -0.20 -0.04 2.34 2.16 1oh5A1 ARG 262 H 0.00 0.21 -0.01 -0.55 8.46 8.10 1oh5A1 ARG 262 HA 0.01 0.03 0.39 -0.75 4.34 4.01 1oh5A1 ARG 262 HB2 -0.01 0.08 0.09 -0.04 1.90 2.02 1oh5A1 ARG 262 HB3 -0.01 -0.15 -0.02 -0.04 1.80 1.58 1oh5A1 ARG 262 HG2 0.00 -0.02 0.03 -0.04 1.67 1.64 1oh5A1 ARG 262 HG3 0.01 0.00 -0.07 -0.04 1.67 1.57 1oh5A1 ARG 262 HD2 -0.01 0.03 -0.00 -0.04 3.22 3.20 1oh5A1 ARG 262 HD3 -0.01 -0.01 -0.00 -0.04 3.22 3.16 1oh5A1 GLU 263 H 0.01 0.11 0.18 -0.55 8.60 8.35 1oh5A1 GLU 263 HA -0.01 0.10 0.43 -0.75 4.29 4.06 1oh5A1 GLU 263 HB2 -0.00 -0.08 0.20 -0.04 2.09 2.17 1oh5A1 GLU 263 HB3 -0.02 0.08 -0.01 -0.04 1.99 2.00 1oh5A1 GLU 263 HG2 0.00 0.03 0.10 -0.04 2.34 2.43 1oh5A1 GLU 263 HG3 0.01 -0.02 0.12 -0.04 2.34 2.42 1oh5A1 GLN 264 H -0.03 -0.02 -0.34 -0.55 8.47 7.54 1oh5A1 GLN 264 HA -0.06 0.26 0.29 -0.75 4.36 4.10 1oh5A1 GLN 264 HB2 -0.06 0.05 0.12 -0.04 2.15 2.22 1oh5A1 GLN 264 HB3 -0.05 0.00 -0.00 -0.04 2.02 1.92 1oh5A1 GLN 264 HG2 -0.03 0.01 -0.09 -0.04 2.40 2.25 1oh5A1 GLN 264 HG3 -0.04 0.03 -0.01 -0.04 2.39 2.33 1oh5A1 GLN 264 HE21 -0.02 -0.01 0.03 -0.04 6.97 6.94 1oh5A1 GLN 264 HE22 -0.04 0.07 0.01 -0.04 7.69 7.69 1oh5A1 ASP 265 H -0.04 0.37 -0.32 -0.55 8.40 7.87 1oh5A1 ASP 265 HA -0.05 0.08 0.71 -0.75 4.63 4.60 1oh5A1 ASP 265 HB2 -0.03 0.12 0.07 -0.04 2.71 2.83 1oh5A1 ASP 265 HB3 -0.04 0.03 0.13 -0.04 2.70 2.78 1oh5A1 SER 266 H -0.06 0.25 -0.21 -0.55 8.46 7.89 1oh5A1 SER 266 HA -0.08 0.04 0.82 -0.75 4.49 4.51 1oh5A1 SER 266 HB2 -0.04 0.22 -0.14 -0.04 3.95 3.95 1oh5A1 SER 266 HB3 -0.04 -0.18 -0.51 -0.04 3.93 3.16 1oh5A1 ILE 267 H -0.09 0.57 0.16 -0.55 8.25 8.34 1oh5A1 ILE 267 HA -0.10 0.32 0.72 -0.75 4.18 4.37 1oh5A1 ILE 267 HB -0.05 0.02 0.09 -0.04 1.89 1.91 1oh5A1 ILE 267 HG12 -0.24 0.27 0.01 -0.04 1.49 1.48 1oh5A1 ILE 267 HG13 -0.22 0.01 -0.09 -0.04 1.21 0.86 1oh5A1 ILE 267 HG23 -0.07 -0.02 -0.28 -0.04 0.93 0.53 1oh5A1 ILE 267 HD13 -0.23 -0.03 -0.13 -0.04 0.88 0.45 1oh5A1 ILE 268 H -0.09 0.33 0.31 -0.55 8.25 8.25 1oh5A1 ILE 268 HA -0.06 0.19 0.70 -0.75 4.18 4.26 1oh5A1 ILE 268 HB -0.09 -0.05 0.14 -0.04 1.89 1.84 1oh5A1 ILE 268 HG12 -0.04 -0.04 -0.04 -0.04 1.49 1.32 1oh5A1 ILE 268 HG13 -0.05 0.26 -0.17 -0.04 1.21 1.22 1oh5A1 ILE 268 HG23 -0.11 -0.05 -0.21 -0.04 0.93 0.51 1oh5A1 ILE 268 HD13 -0.03 -0.06 0.08 -0.04 0.88 0.83 1oh5A1 MET 269 H -0.07 0.33 0.21 -0.55 8.47 8.39 1oh5A1 MET 269 HA -0.18 0.24 0.99 -0.75 4.52 4.82 1oh5A1 MET 269 HB2 -0.03 0.05 0.10 -0.04 2.15 2.23 1oh5A1 MET 269 HB3 -0.06 -0.09 0.01 -0.04 2.03 1.85 1oh5A1 MET 269 HG2 -0.07 -0.08 -0.34 -0.04 2.63 2.10 1oh5A1 MET 269 HG3 -0.03 0.20 -0.09 -0.04 2.56 2.60 1oh5A1 MET 269 HE3 0.00 0.04 -0.01 -0.04 2.10 2.10 1oh5A1 ASP 270 H -0.22 0.32 0.28 -0.55 8.40 8.23 1oh5A1 ASP 270 HA -0.08 0.12 0.55 -0.75 4.63 4.47 1oh5A1 ASP 270 HB2 -0.01 -0.10 0.19 -0.04 2.71 2.74 1oh5A1 ASP 270 HB3 -0.11 0.08 0.13 -0.04 2.70 2.76 1oh5A1 ALA 271 H -0.02 0.13 0.17 -0.55 8.40 8.12 1oh5A1 ALA 271 HA -0.01 0.20 0.36 -0.75 4.34 4.14 1oh5A1 ALA 271 HB3 -0.01 0.01 0.04 -0.04 1.41 1.41 1oh5A1 ALA 272 H 0.01 0.03 -0.13 -0.55 8.40 7.77 1oh5A1 ALA 272 HA 0.01 0.11 0.40 -0.75 4.34 4.12 1oh5A1 ALA 272 HB3 0.03 -0.01 0.06 -0.04 1.41 1.45 1oh5A1 THR 273 H -0.01 0.13 -0.29 -0.55 8.28 7.57 1oh5A1 THR 273 HA 0.01 0.04 0.39 -0.75 4.39 4.07 1oh5A1 THR 273 HB -0.04 0.12 0.02 -0.04 4.32 4.38 1oh5A1 THR 273 HG23 -0.02 0.03 -0.22 -0.04 1.22 0.97 1oh5A1 ARG 274 H 0.00 0.42 -0.19 -0.55 8.46 8.13 1oh5A1 ARG 274 HA 0.02 0.08 0.34 -0.75 4.34 4.02 1oh5A1 ARG 274 HB2 0.03 0.10 0.03 -0.04 1.90 2.02 1oh5A1 ARG 274 HB3 0.05 0.05 -0.03 -0.04 1.80 1.82 1oh5A1 ARG 274 HG2 0.23 -0.02 -0.05 -0.04 1.67 1.79 1oh5A1 ARG 274 HG3 0.14 0.01 0.03 -0.04 1.67 1.81 1oh5A1 ARG 274 HD2 0.05 -0.04 -0.04 -0.04 3.22 3.15 1oh5A1 ARG 274 HD3 0.11 0.04 -0.11 -0.04 3.22 3.22 1oh5A1 ARG 275 H 0.02 0.22 -0.44 -0.55 8.46 7.71 1oh5A1 ARG 275 HA 0.03 0.15 0.55 -0.75 4.34 4.31 1oh5A1 ARG 275 HB2 0.02 0.02 0.11 -0.04 1.90 2.01 1oh5A1 ARG 275 HB3 0.02 -0.04 -0.02 -0.04 1.80 1.72 1oh5A1 ARG 275 HG2 0.02 0.04 -0.04 -0.04 1.67 1.65 1oh5A1 ARG 275 HG3 0.02 0.17 0.02 -0.04 1.67 1.84 1oh5A1 ARG 275 HD2 0.02 -0.03 -0.04 -0.04 3.22 3.13 1oh5A1 ARG 275 HD3 0.01 0.02 -0.05 -0.04 3.22 3.16 1oh5A1 ASN 276 H 0.02 0.39 -0.10 -0.55 8.53 8.29 1oh5A1 ASN 276 HA 0.02 0.07 0.44 -0.75 4.76 4.54 1oh5A1 ASN 276 HB2 0.02 0.02 0.07 -0.04 2.88 2.95 1oh5A1 ASN 276 HB3 0.02 0.04 0.03 -0.04 2.79 2.84 1oh5A1 ASN 276 HD21 0.02 -0.09 -0.04 -0.04 7.03 6.89 1oh5A1 ASN 276 HD22 0.02 0.02 -0.09 -0.04 7.74 7.65 1oh5A1 LEU 277 H 0.01 0.36 -0.31 -0.55 8.37 7.89 1oh5A1 LEU 277 HA 0.04 0.11 0.76 -0.75 4.35 4.51 1oh5A1 LEU 277 HB2 -0.02 0.06 -0.04 -0.04 1.64 1.60 1oh5A1 LEU 277 HB3 -0.03 -0.02 0.04 -0.04 1.64 1.59 1oh5A1 LEU 277 HG -0.00 0.10 -0.05 -0.04 1.64 1.64 1oh5A1 LEU 277 HD13 -0.03 -0.00 -0.16 -0.04 0.93 0.70 1oh5A1 LEU 277 HD23 -0.01 0.01 -0.09 -0.04 0.89 0.76 1oh5A1 GLU 278 H 0.02 0.20 -0.45 -0.55 8.60 7.83 1oh5A1 GLU 278 HA 0.03 0.31 0.34 -0.75 4.29 4.21 1oh5A1 GLU 278 HB2 0.04 0.06 -0.20 -0.04 2.09 1.95 1oh5A1 GLU 278 HB3 0.03 -0.06 -0.01 -0.04 1.99 1.90 1oh5A1 GLU 278 HG2 0.03 0.13 0.05 -0.04 2.34 2.51 1oh5A1 GLU 278 HG3 0.03 0.04 -0.30 -0.04 2.34 2.07 1oh5A1 ILE 279 H -0.02 0.28 -0.10 -0.55 8.25 7.86 1oh5A1 ILE 279 HA -0.06 0.02 0.23 -0.75 4.18 3.62 1oh5A1 ILE 279 HB -0.31 0.00 0.05 -0.04 1.89 1.59 1oh5A1 ILE 279 HG12 -0.12 0.05 -0.07 -0.04 1.49 1.30 1oh5A1 ILE 279 HG13 -0.07 -0.11 -0.18 -0.04 1.21 0.80 1oh5A1 ILE 279 HG23 -0.34 0.04 -0.23 -0.04 0.93 0.36 1oh5A1 ILE 279 HD13 -0.12 0.03 -0.03 -0.04 0.88 0.72 1oh5A1 THR 280 H 0.06 0.05 -0.03 -0.55 8.28 7.81 1oh5A1 THR 280 HA 0.04 0.05 0.70 -0.75 4.39 4.43 1oh5A1 THR 280 HB 0.09 0.00 0.12 -0.04 4.32 4.49 1oh5A1 THR 280 HG23 0.12 0.00 -0.17 -0.04 1.22 1.14 1oh5A1 GLN 281 H 0.06 0.01 -0.11 -0.55 8.47 7.88 1oh5A1 GLN 281 HA 0.03 0.30 0.72 -0.75 4.36 4.66 1oh5A1 GLN 281 HB2 0.05 0.03 -0.20 -0.04 2.15 2.00 1oh5A1 GLN 281 HB3 0.05 -0.06 0.07 -0.04 2.02 2.04 1oh5A1 GLN 281 HG2 0.02 0.08 -0.05 -0.04 2.40 2.41 1oh5A1 GLN 281 HG3 0.02 0.13 -0.10 -0.04 2.39 2.40 1oh5A1 GLN 281 HE21 0.01 -0.01 -0.01 -0.04 6.97 6.92 1oh5A1 GLN 281 HE22 0.01 0.16 0.02 -0.04 7.69 7.85 1oh5A1 ASN 282 H 0.02 0.50 0.06 -0.55 8.53 8.56 1oh5A1 ASN 282 HA 0.02 0.17 0.59 -0.75 4.76 4.79 1oh5A1 ASN 282 HB2 0.01 -0.10 0.10 -0.04 2.88 2.86 1oh5A1 ASN 282 HB3 0.02 0.32 -0.06 -0.04 2.79 3.02 1oh5A1 ASN 282 HD21 0.01 -0.14 -0.08 -0.04 7.03 6.78 1oh5A1 ASN 282 HD22 0.01 0.30 -0.08 -0.04 7.74 7.93 1oh5A1 LEU 283 H 0.01 0.18 0.08 -0.55 8.37 8.10 1oh5A1 LEU 283 HA 0.02 0.20 0.52 -0.75 4.35 4.33 1oh5A1 LEU 283 HB2 0.01 -0.03 0.12 -0.04 1.64 1.70 1oh5A1 LEU 283 HB3 0.01 -0.01 0.18 -0.04 1.64 1.79 1oh5A1 LEU 283 HG 0.02 0.08 -0.02 -0.04 1.64 1.67 1oh5A1 LEU 283 HD13 0.01 -0.01 0.02 -0.04 0.93 0.91 1oh5A1 LEU 283 HD23 0.02 -0.00 -0.08 -0.04 0.89 0.78 1oh5A1 ALA 284 H 0.01 0.03 -0.74 -0.55 8.40 7.15 1oh5A1 ALA 284 HA 0.01 0.21 0.64 -0.75 4.34 4.45 1oh5A1 ALA 284 HB3 0.01 -0.01 0.00 -0.04 1.41 1.37 1oh5A1 GLY 285 H 0.01 0.38 -0.03 -0.55 8.43 8.25 1oh5A1 GLY 285 HA2 0.01 0.09 0.33 -0.51 4.01 3.93 1oh5A1 GLY 285 HA3 0.01 0.16 0.71 -0.51 4.01 4.37 1oh5A1 GLY 286 H 0.01 -0.10 -0.32 -0.55 8.43 7.48 1oh5A1 GLY 286 HA2 0.01 0.20 0.55 -0.51 4.01 4.26 1oh5A1 GLY 286 HA3 0.01 -0.04 0.27 -0.51 4.01 3.74 1oh5A1 ALA 287 H 0.01 0.14 0.11 -0.55 8.40 8.11 1oh5A1 ALA 287 HA 0.02 0.26 0.72 -0.75 4.34 4.58 1oh5A1 ALA 287 HB3 0.01 0.03 0.07 -0.04 1.41 1.48 1oh5A1 GLU 288 H 0.01 -0.02 -0.21 -0.55 8.60 7.83 1oh5A1 GLU 288 HA 0.01 0.12 0.53 -0.75 4.29 4.19 1oh5A1 GLU 288 HB2 0.01 -0.03 -0.00 -0.04 2.09 2.03 1oh5A1 GLU 288 HB3 0.01 0.06 0.00 -0.04 1.99 2.02 1oh5A1 GLU 288 HG2 0.01 0.07 -0.01 -0.04 2.34 2.36 1oh5A1 GLU 288 HG3 0.01 -0.05 -0.06 -0.04 2.34 2.20 1oh5A1 ASN 289 H 0.01 0.17 0.11 -0.55 8.53 8.27 1oh5A1 ASN 289 HA 0.02 0.09 0.27 -0.75 4.76 4.38 1oh5A1 ASN 289 HB2 0.01 0.07 -0.06 -0.04 2.88 2.86 1oh5A1 ASN 289 HB3 0.01 -0.01 0.05 -0.04 2.79 2.79 1oh5A1 ASN 289 HD21 0.01 0.02 -0.11 -0.04 7.03 6.90 1oh5A1 ASN 289 HD22 0.01 0.00 -0.18 -0.04 7.74 7.52 1oh5A1 THR 290 H 0.02 0.08 -0.23 -0.55 8.28 7.60 1oh5A1 THR 290 HA 0.03 0.32 0.71 -0.75 4.39 4.69 1oh5A1 THR 290 HB 0.02 0.15 -0.23 -0.04 4.32 4.22 1oh5A1 THR 290 HG23 0.02 0.04 -0.67 -0.04 1.22 0.58 1oh5A1 LEU 291 H 0.01 0.57 0.13 -0.55 8.37 8.54 1oh5A1 LEU 291 HA 0.02 0.01 0.47 -0.75 4.35 4.10 1oh5A1 LEU 291 HB2 -0.02 0.03 0.06 -0.04 1.64 1.67 1oh5A1 LEU 291 HB3 -0.03 0.13 0.16 -0.04 1.64 1.86 1oh5A1 LEU 291 HG -0.00 -0.00 -0.25 -0.04 1.64 1.35 1oh5A1 LEU 291 HD13 -0.02 -0.02 -0.02 -0.04 0.93 0.83 1oh5A1 LEU 291 HD23 -0.04 0.01 -0.05 -0.04 0.89 0.77 1oh5A1 ALA 292 H 0.01 0.36 -0.05 -0.55 8.40 8.17 1oh5A1 ALA 292 HA 0.01 0.06 0.34 -0.75 4.34 4.00 1oh5A1 ALA 292 HB3 0.02 0.04 0.13 -0.04 1.41 1.55 1oh5A1 SER 293 H 0.01 0.05 -0.40 -0.55 8.46 7.58 1oh5A1 SER 293 HA 0.01 0.11 0.43 -0.75 4.49 4.29 1oh5A1 SER 293 HB2 0.01 -0.02 0.10 -0.04 3.95 4.00 1oh5A1 SER 293 HB3 0.01 0.17 0.15 -0.04 3.93 4.22 1oh5A1 VAL 294 H 0.02 0.26 -0.35 -0.55 8.24 7.62 1oh5A1 VAL 294 HA 0.01 0.08 0.40 -0.75 4.13 3.87 1oh5A1 VAL 294 HB 0.04 0.09 0.02 -0.04 2.12 2.23 1oh5A1 VAL 294 HG13 0.04 0.05 -0.02 -0.04 0.97 1.01 1oh5A1 VAL 294 HG23 0.03 -0.00 -0.00 -0.04 0.95 0.93 1oh5A1 LEU 295 H 0.02 0.23 -0.25 -0.55 8.37 7.82 1oh5A1 LEU 295 HA 0.02 0.15 0.61 -0.75 4.35 4.38 1oh5A1 LEU 295 HB2 0.02 0.07 0.00 -0.04 1.64 1.69 1oh5A1 LEU 295 HB3 0.03 -0.07 -0.05 -0.04 1.64 1.52 1oh5A1 LEU 295 HG 0.07 0.02 -0.09 -0.04 1.64 1.60 1oh5A1 LEU 295 HD13 0.06 -0.01 -0.08 -0.04 0.93 0.85 1oh5A1 LEU 295 HD23 0.17 0.01 -0.08 -0.04 0.89 0.95 1oh5A1 ASP 296 H -0.00 0.38 -0.24 -0.55 8.40 7.99 1oh5A1 ASP 296 HA -0.03 0.05 0.62 -0.75 4.63 4.52 1oh5A1 ASP 296 HB2 -0.01 -0.03 0.09 -0.04 2.71 2.72 1oh5A1 ASP 296 HB3 -0.01 0.17 0.25 -0.04 2.70 3.08 1oh5A1 CYS 297 H -0.03 0.36 -0.10 -0.55 8.50 8.18 1oh5A1 CYS 297 HA -0.02 0.21 0.66 -0.75 4.58 4.68 1oh5A1 CYS 297 HB2 -0.02 0.01 0.06 -0.04 2.97 2.97 1oh5A1 CYS 297 HB3 -0.02 -0.05 0.14 -0.04 2.97 3.00 1oh5A1 THR 298 H -0.04 0.06 -0.27 -0.55 8.28 7.49 1oh5A1 THR 298 HA -0.04 0.13 0.54 -0.75 4.39 4.26 1oh5A1 THR 298 HB -0.06 -0.14 -0.05 -0.04 4.32 4.02 1oh5A1 THR 298 HG23 -0.09 0.05 -0.16 -0.04 1.22 0.98 1oh5A1 VAL 299 H -0.03 0.04 0.15 -0.55 8.24 7.86 1oh5A1 VAL 299 HA -0.01 0.23 0.63 -0.75 4.13 4.22 1oh5A1 VAL 299 HB -0.01 -0.00 0.08 -0.04 2.12 2.15 1oh5A1 VAL 299 HG13 -0.01 0.03 -0.04 -0.04 0.97 0.91 1oh5A1 VAL 299 HG23 -0.01 0.01 -0.13 -0.04 0.95 0.78 1oh5A1 THR 300 H -0.03 -0.02 0.07 -0.55 8.28 7.75 1oh5A1 THR 300 HA -0.01 0.29 0.88 -0.75 4.39 4.80 1oh5A1 THR 300 HB -0.02 0.08 0.08 -0.04 4.32 4.42 1oh5A1 THR 300 HG23 -0.01 0.01 0.02 -0.04 1.22 1.20 1oh5A1 PRO 301 HA -0.02 0.12 0.39 -0.51 4.44 4.42 1oh5A1 PRO 301 HB2 -0.01 0.01 0.02 -0.04 2.28 2.25 1oh5A1 PRO 301 HB3 -0.01 0.10 -0.09 -0.04 2.02 1.98 1oh5A1 PRO 301 HG2 -0.01 -0.00 0.06 -0.04 2.03 2.03 1oh5A1 PRO 301 HG3 -0.01 0.10 0.02 -0.04 2.03 2.09 1oh5A1 PRO 301 HD2 -0.01 0.05 -0.05 -0.04 3.68 3.63 1oh5A1 PRO 301 HD3 -0.01 0.28 0.17 -0.04 3.65 4.05 1oh5A1 MET 302 H -0.02 0.16 -0.07 -0.55 8.47 8.00 1oh5A1 MET 302 HA -0.02 0.12 0.38 -0.75 4.52 4.25 1oh5A1 MET 302 HB2 -0.01 0.07 0.07 -0.04 2.15 2.24 1oh5A1 MET 302 HB3 -0.01 -0.11 0.12 -0.04 2.03 1.99 1oh5A1 MET 302 HG2 -0.02 0.01 0.06 -0.04 2.63 2.64 1oh5A1 MET 302 HG3 -0.02 0.05 -0.17 -0.04 2.56 2.37 1oh5A1 MET 302 HE3 0.00 0.03 -0.05 -0.04 2.10 2.05 1oh5A1 GLY 303 H -0.04 0.07 -0.57 -0.55 8.43 7.34 1oh5A1 GLY 303 HA2 -0.12 0.13 0.59 -0.51 4.01 4.11 1oh5A1 GLY 303 HA3 -0.08 0.02 0.24 -0.51 4.01 3.68 1oh5A1 SER 304 H -0.05 0.37 -0.05 -0.55 8.46 8.18 1oh5A1 SER 304 HA -0.07 0.01 0.41 -0.75 4.49 4.09 1oh5A1 SER 304 HB2 -0.03 0.02 0.05 -0.04 3.95 3.94 1oh5A1 SER 304 HB3 -0.03 0.09 0.17 -0.04 3.93 4.12 1oh5A1 ARG 305 H -0.04 0.47 -0.17 -0.55 8.46 8.17 1oh5A1 ARG 305 HA -0.00 0.12 0.32 -0.75 4.34 4.02 1oh5A1 ARG 305 HB2 -0.01 0.01 -0.02 -0.04 1.90 1.84 1oh5A1 ARG 305 HB3 0.00 -0.04 -0.10 -0.04 1.80 1.62 1oh5A1 ARG 305 HG2 -0.00 0.03 -0.43 -0.04 1.67 1.22 1oh5A1 ARG 305 HG3 -0.01 0.20 -0.07 -0.04 1.67 1.74 1oh5A1 ARG 305 HD2 0.00 -0.06 -0.16 -0.04 3.22 2.97 1oh5A1 ARG 305 HD3 -0.00 -0.04 -0.49 -0.04 3.22 2.65 1oh5A1 MET 306 H -0.08 0.33 -0.29 -0.55 8.47 7.88 1oh5A1 MET 306 HA -0.02 0.02 0.47 -0.75 4.52 4.23 1oh5A1 MET 306 HB2 -0.09 0.08 0.14 -0.04 2.15 2.24 1oh5A1 MET 306 HB3 -0.27 0.10 0.15 -0.04 2.03 1.97 1oh5A1 MET 306 HG2 -0.84 0.02 -0.18 -0.04 2.63 1.58 1oh5A1 MET 306 HG3 -0.00 -0.03 0.01 -0.04 2.56 2.50 1oh5A1 MET 306 HE3 0.31 0.00 0.00 -0.04 2.10 2.37 1oh5A1 LEU 307 H -0.27 0.66 -0.04 -0.55 8.37 8.17 1oh5A1 LEU 307 HA -0.45 0.00 0.44 -0.75 4.35 3.59 1oh5A1 LEU 307 HB2 -0.24 -0.03 0.11 -0.04 1.64 1.44 1oh5A1 LEU 307 HB3 -0.12 0.18 0.15 -0.04 1.64 1.81 1oh5A1 LEU 307 HG -0.04 -0.01 -0.30 -0.04 1.64 1.26 1oh5A1 LEU 307 HD13 -0.07 -0.01 0.01 -0.04 0.93 0.82 1oh5A1 LEU 307 HD23 -0.05 -0.00 -0.12 -0.04 0.89 0.68 1oh5A1 LYS 308 H -0.03 0.48 -0.28 -0.55 8.42 8.03 1oh5A1 LYS 308 HA 0.07 0.00 0.38 -0.75 4.32 4.02 1oh5A1 LYS 308 HB2 0.04 0.10 0.13 -0.04 1.87 2.10 1oh5A1 LYS 308 HB3 0.12 -0.03 0.01 -0.04 1.79 1.85 1oh5A1 LYS 308 HG2 0.05 -0.08 0.04 -0.04 1.46 1.43 1oh5A1 LYS 308 HG3 0.01 0.09 0.05 -0.04 1.46 1.57 1oh5A1 LYS 308 HD2 0.03 -0.02 0.03 -0.04 1.69 1.69 1oh5A1 LYS 308 HD3 0.04 -0.05 0.03 -0.04 1.68 1.66 1oh5A1 LYS 308 HE2 0.00 -0.06 -0.02 -0.04 2.99 2.87 1oh5A1 LYS 308 HE3 -0.00 -0.02 -0.16 -0.04 2.99 2.77 1oh5A1 ARG 309 H 0.09 0.37 -0.33 -0.55 8.46 8.03 1oh5A1 ARG 309 HA 0.18 0.09 0.56 -0.75 4.34 4.41 1oh5A1 ARG 309 HB2 0.22 0.10 0.18 -0.04 1.90 2.36 1oh5A1 ARG 309 HB3 0.21 -0.05 -0.04 -0.04 1.80 1.88 1oh5A1 ARG 309 HG2 0.09 0.01 -0.02 -0.04 1.67 1.71 1oh5A1 ARG 309 HG3 0.08 0.17 0.01 -0.04 1.67 1.88 1oh5A1 ARG 309 HD2 0.10 -0.03 -0.06 -0.04 3.22 3.18 1oh5A1 ARG 309 HD3 0.06 -0.07 -0.08 -0.04 3.22 3.10 1oh5A1 TRP 310 H 0.39 0.49 -0.02 -0.55 7.97 8.28 1oh5A1 TRP 310 HA 0.05 0.10 0.35 -0.75 4.62 4.36 1oh5A1 TRP 310 HB2 0.04 0.08 0.20 -0.04 3.23 3.51 1oh5A1 TRP 310 HB3 0.04 0.02 -0.00 -0.04 3.23 3.25 1oh5A1 TRP 310 HD1 0.04 -0.05 -0.01 -0.04 7.22 7.15 1oh5A1 TRP 310 HE1 0.03 -0.07 -0.03 -0.04 10.20 10.09 1oh5A1 TRP 310 HE3 0.04 0.10 0.02 -0.04 7.59 7.70 1oh5A1 TRP 310 HZ2 0.02 -0.06 -0.00 -0.04 7.44 7.36 1oh5A1 TRP 310 HZ3 0.03 0.04 -0.02 -0.04 7.13 7.14 1oh5A1 TRP 310 HH2 0.02 -0.04 0.00 -0.04 7.19 7.13 1oh5A1 LEU 311 H 0.23 0.59 -0.06 -0.55 8.37 8.59 1oh5A1 LEU 311 HA 0.10 0.01 0.30 -0.75 4.35 4.01 1oh5A1 LEU 311 HB2 0.06 0.11 0.08 -0.04 1.64 1.86 1oh5A1 LEU 311 HB3 -0.08 -0.04 -0.15 -0.04 1.64 1.33 1oh5A1 LEU 311 HG -0.01 -0.07 -0.08 -0.04 1.64 1.44 1oh5A1 LEU 311 HD13 0.09 0.01 -0.05 -0.04 0.93 0.93 1oh5A1 LEU 311 HD23 0.02 0.01 -0.16 -0.04 0.89 0.71 1oh5A1 HIS 312 H 0.20 0.22 -0.74 -0.55 8.41 7.54 1oh5A1 HIS 312 HA 0.04 -0.02 0.47 -0.75 4.63 4.37 1oh5A1 HIS 312 HB2 0.07 0.20 0.16 -0.04 3.26 3.64 1oh5A1 HIS 312 HB3 0.04 -0.08 -0.01 -0.04 3.20 3.11 1oh5A1 HIS 312 HD2 0.04 0.26 0.03 -0.04 6.97 7.25 1oh5A1 HIS 312 HE1 0.01 -0.10 -0.03 -0.04 7.75 7.59 1oh5A1 MET 313 H 0.15 0.39 -0.32 -0.55 8.47 8.15 1oh5A1 MET 313 HA 0.05 0.14 0.73 -0.75 4.52 4.69 1oh5A1 MET 313 HB2 0.09 -0.04 -0.18 -0.04 2.15 1.98 1oh5A1 MET 313 HB3 0.07 -0.06 0.11 -0.04 2.03 2.11 1oh5A1 MET 313 HG2 0.00 -0.07 -0.13 -0.04 2.63 2.39 1oh5A1 MET 313 HG3 0.02 0.10 -0.02 -0.04 2.56 2.61 1oh5A1 MET 313 HE3 0.04 -0.02 -0.09 -0.04 2.10 1.99 1oh5A1 PRO 314 HA 0.03 0.09 0.59 -0.51 4.44 4.64 1oh5A1 PRO 314 HB2 0.02 -0.17 0.00 -0.04 2.28 2.10 1oh5A1 PRO 314 HB3 0.12 0.13 -0.10 -0.04 2.02 2.12 1oh5A1 PRO 314 HG2 0.02 -0.11 0.01 -0.04 2.03 1.90 1oh5A1 PRO 314 HG3 0.05 0.14 -0.01 -0.04 2.03 2.17 1oh5A1 PRO 314 HD2 0.00 0.16 0.16 -0.04 3.68 3.96 1oh5A1 PRO 314 HD3 0.04 0.20 -0.32 -0.04 3.65 3.52 1oh5A1 VAL 315 H -0.05 0.23 0.35 -0.55 8.24 8.22 1oh5A1 VAL 315 HA -0.08 0.18 0.78 -0.75 4.13 4.25 1oh5A1 VAL 315 HB -0.12 -0.09 0.06 -0.04 2.12 1.94 1oh5A1 VAL 315 HG13 -0.10 -0.07 0.16 -0.04 0.97 0.93 1oh5A1 VAL 315 HG23 -0.24 0.04 0.10 -0.04 0.95 0.80 1oh5A1 ARG 316 H -0.09 0.42 0.03 -0.55 8.46 8.27 1oh5A1 ARG 316 HA -0.17 0.24 0.66 -0.75 4.34 4.31 1oh5A1 ARG 316 HB2 -0.10 0.01 -0.15 -0.04 1.90 1.61 1oh5A1 ARG 316 HB3 -0.12 -0.08 0.06 -0.04 1.80 1.62 1oh5A1 ARG 316 HG2 -0.29 0.11 -0.11 -0.04 1.67 1.35 1oh5A1 ARG 316 HG3 -0.14 -0.11 -0.32 -0.04 1.67 1.06 1oh5A1 ARG 316 HD2 -0.12 0.12 -0.09 -0.04 3.22 3.08 1oh5A1 ARG 316 HD3 -0.10 0.08 -0.12 -0.04 3.22 3.04 1oh5A1 ASP 317 H -0.08 0.14 -0.18 -0.55 8.40 7.73 1oh5A1 ASP 317 HA -0.07 0.06 0.43 -0.75 4.63 4.29 1oh5A1 ASP 317 HB2 -0.07 0.10 0.14 -0.04 2.71 2.84 1oh5A1 ASP 317 HB3 -0.09 0.02 0.19 -0.04 2.70 2.79 1oh5A1 THR 318 H -0.10 0.26 0.27 -0.55 8.28 8.17 1oh5A1 THR 318 HA -0.31 0.15 0.31 -0.75 4.39 3.78 1oh5A1 THR 318 HB -0.08 -0.09 0.13 -0.04 4.32 4.24 1oh5A1 THR 318 HG23 -0.10 0.01 -0.07 -0.04 1.22 1.01 1oh5A1 ARG 319 H -0.07 0.03 -0.31 -0.55 8.46 7.56 1oh5A1 ARG 319 HA -0.04 0.12 0.50 -0.75 4.34 4.17 1oh5A1 ARG 319 HB2 -0.03 0.01 0.06 -0.04 1.90 1.90 1oh5A1 ARG 319 HB3 -0.04 -0.03 0.08 -0.04 1.80 1.77 1oh5A1 ARG 319 HG2 -0.02 0.03 -0.27 -0.04 1.67 1.36 1oh5A1 ARG 319 HG3 -0.02 -0.00 0.00 -0.04 1.67 1.62 1oh5A1 ARG 319 HD2 -0.02 -0.01 -0.01 -0.04 3.22 3.14 1oh5A1 ARG 319 HD3 -0.01 0.02 -0.04 -0.04 3.22 3.14 1oh5A1 VAL 320 H -0.07 0.11 -0.03 -0.55 8.24 7.70 1oh5A1 VAL 320 HA -0.05 0.02 0.38 -0.75 4.13 3.73 1oh5A1 VAL 320 HB -0.10 0.07 0.13 -0.04 2.12 2.17 1oh5A1 VAL 320 HG13 -0.18 0.03 -0.10 -0.04 0.97 0.68 1oh5A1 VAL 320 HG23 -0.07 -0.01 0.05 -0.04 0.95 0.88 1oh5A1 LEU 321 H -0.10 0.41 -0.33 -0.55 8.37 7.80 1oh5A1 LEU 321 HA -0.01 0.09 0.32 -0.75 4.35 4.00 1oh5A1 LEU 321 HB2 -0.27 0.02 0.03 -0.04 1.64 1.38 1oh5A1 LEU 321 HB3 0.02 0.09 -0.03 -0.04 1.64 1.68 1oh5A1 LEU 321 HG -0.08 -0.09 -0.14 -0.04 1.64 1.29 1oh5A1 LEU 321 HD13 -0.17 0.04 -0.30 -0.04 0.93 0.46 1oh5A1 LEU 321 HD23 0.09 0.11 -0.13 -0.04 0.89 0.92 1oh5A1 LEU 322 H -0.04 0.40 -0.08 -0.55 8.37 8.11 1oh5A1 LEU 322 HA 0.13 0.10 0.41 -0.75 4.35 4.24 1oh5A1 LEU 322 HB2 0.01 0.05 0.19 -0.04 1.64 1.85 1oh5A1 LEU 322 HB3 0.06 -0.07 0.09 -0.04 1.64 1.67 1oh5A1 LEU 322 HG -0.02 0.12 0.15 -0.04 1.64 1.85 1oh5A1 LEU 322 HD13 0.01 -0.03 0.01 -0.04 0.93 0.88 1oh5A1 LEU 322 HD23 0.19 -0.01 0.06 -0.04 0.89 1.10 1oh5A1 GLU 323 H 0.02 0.42 -0.33 -0.55 8.60 8.16 1oh5A1 GLU 323 HA 0.04 -0.00 0.60 -0.75 4.29 4.18 1oh5A1 GLU 323 HB2 0.01 0.16 0.14 -0.04 2.09 2.35 1oh5A1 GLU 323 HB3 0.02 -0.08 0.02 -0.04 1.99 1.91 1oh5A1 GLU 323 HG2 0.02 -0.07 0.04 -0.04 2.34 2.28 1oh5A1 GLU 323 HG3 0.00 0.18 0.03 -0.04 2.34 2.51 1oh5A1 ARG 324 H 0.04 0.55 -0.04 -0.55 8.46 8.46 1oh5A1 ARG 324 HA 0.10 -0.05 0.49 -0.75 4.34 4.13 1oh5A1 ARG 324 HB2 0.06 0.12 0.23 -0.04 1.90 2.28 1oh5A1 ARG 324 HB3 0.16 0.05 0.02 -0.04 1.80 1.99 1oh5A1 ARG 324 HG2 0.14 -0.08 0.03 -0.04 1.67 1.73 1oh5A1 ARG 324 HG3 -0.01 -0.01 0.07 -0.04 1.67 1.67 1oh5A1 ARG 324 HD2 -0.18 -0.05 -0.23 -0.04 3.22 2.72 1oh5A1 ARG 324 HD3 -0.19 0.25 -0.07 -0.04 3.22 3.18 1oh5A1 GLN 325 H 0.12 0.54 -0.11 -0.55 8.47 8.48 1oh5A1 GLN 325 HA 0.22 0.20 0.42 -0.75 4.36 4.45 1oh5A1 GLN 325 HB2 0.17 0.01 0.18 -0.04 2.15 2.47 1oh5A1 GLN 325 HB3 0.22 -0.10 -0.03 -0.04 2.02 2.07 1oh5A1 GLN 325 HG2 0.31 -0.00 0.00 -0.04 2.40 2.67 1oh5A1 GLN 325 HG3 0.22 0.10 0.08 -0.04 2.39 2.74 1oh5A1 GLN 325 HE21 -0.16 -0.04 -0.08 -0.04 6.97 6.66 1oh5A1 GLN 325 HE22 0.10 0.12 -0.01 -0.04 7.69 7.86 1oh5A1 GLN 326 H 0.10 0.29 -0.34 -0.55 8.47 7.97 1oh5A1 GLN 326 HA 0.10 0.05 0.56 -0.75 4.36 4.31 1oh5A1 GLN 326 HB2 0.07 0.02 0.16 -0.04 2.15 2.36 1oh5A1 GLN 326 HB3 0.06 0.11 0.27 -0.04 2.02 2.41 1oh5A1 GLN 326 HG2 0.04 -0.09 -0.00 -0.04 2.40 2.30 1oh5A1 GLN 326 HG3 0.05 -0.03 -0.19 -0.04 2.39 2.18 1oh5A1 GLN 326 HE21 0.02 0.01 0.06 -0.04 6.97 7.02 1oh5A1 GLN 326 HE22 0.02 -0.13 0.13 -0.04 7.69 7.67 1oh5A1 THR 327 H 0.06 0.54 -0.08 -0.55 8.28 8.25 1oh5A1 THR 327 HA 0.03 -0.09 0.28 -0.75 4.39 3.84 1oh5A1 THR 327 HB 0.06 0.24 0.07 -0.04 4.32 4.65 1oh5A1 THR 327 HG23 0.03 -0.04 -0.08 -0.04 1.22 1.10 1oh5A1 ILE 328 H 0.02 0.43 -0.48 -0.55 8.25 7.68 1oh5A1 ILE 328 HA -0.06 -0.00 0.32 -0.75 4.18 3.68 1oh5A1 ILE 328 HB -0.17 0.18 0.10 -0.04 1.89 1.96 1oh5A1 ILE 328 HG12 -0.11 -0.06 -0.26 -0.04 1.49 1.01 1oh5A1 ILE 328 HG13 -0.01 -0.06 -0.07 -0.04 1.21 1.02 1oh5A1 ILE 328 HG23 -0.78 -0.03 -0.16 -0.04 0.93 -0.08 1oh5A1 ILE 328 HD13 -0.01 0.02 -0.11 -0.04 0.88 0.74 1oh5A1 GLY 329 H 0.02 0.44 -0.04 -0.55 8.43 8.31 1oh5A1 GLY 329 HA2 0.04 0.02 0.31 -0.51 4.01 3.87 1oh5A1 GLY 329 HA3 0.13 0.04 0.36 -0.51 4.01 4.03 1oh5A1 ALA 330 H 0.05 0.68 -0.09 -0.55 8.40 8.50 1oh5A1 ALA 330 HA 0.09 0.00 0.46 -0.75 4.34 4.15 1oh5A1 ALA 330 HB3 0.03 -0.01 -0.01 -0.04 1.41 1.38 1oh5A1 LEU 331 H 0.04 0.55 -0.28 -0.55 8.37 8.14 1oh5A1 LEU 331 HA 0.23 0.01 0.38 -0.75 4.35 4.21 1oh5A1 LEU 331 HB2 0.02 0.28 0.11 -0.04 1.64 2.01 1oh5A1 LEU 331 HB3 0.06 -0.14 0.09 -0.04 1.64 1.60 1oh5A1 LEU 331 HG -0.02 -0.00 0.00 -0.04 1.64 1.58 1oh5A1 LEU 331 HD13 -0.00 -0.02 -0.05 -0.04 0.93 0.82 1oh5A1 LEU 331 HD23 -0.10 -0.02 -0.03 -0.04 0.89 0.69 1oh5A1 GLN 332 H 0.06 0.42 -0.46 -0.55 8.47 7.95 1oh5A1 GLN 332 HA -0.02 0.01 0.22 -0.75 4.36 3.82 1oh5A1 GLN 332 HB2 -0.02 0.18 0.13 -0.04 2.15 2.40 1oh5A1 GLN 332 HB3 -0.08 -0.04 0.04 -0.04 2.02 1.91 1oh5A1 GLN 332 HG2 -0.16 -0.08 -0.00 -0.04 2.40 2.11 1oh5A1 GLN 332 HG3 -0.03 0.02 -0.02 -0.04 2.39 2.32 1oh5A1 GLN 332 HE21 -0.06 -0.03 -0.09 -0.04 6.97 6.75 1oh5A1 GLN 332 HE22 -0.07 0.05 0.12 -0.04 7.69 7.74 1oh5A1 ASP 333 H -0.04 0.26 -0.15 -0.55 8.40 7.92 1oh5A1 ASP 333 HA -0.28 0.09 0.50 -0.75 4.63 4.18 1oh5A1 ASP 333 HB2 -0.49 0.09 0.11 -0.04 2.71 2.38 1oh5A1 ASP 333 HB3 -0.82 -0.02 0.01 -0.04 2.70 1.82 1oh5A1 PHE 334 H 0.15 0.42 -0.46 -0.55 8.34 7.90 1oh5A1 PHE 334 HA -0.03 0.11 0.50 -0.75 4.62 4.44 1oh5A1 PHE 334 HB2 -0.02 0.11 0.05 -0.04 3.15 3.24 1oh5A1 PHE 334 HB3 -0.02 -0.05 0.08 -0.04 3.06 3.03 1oh5A1 PHE 334 HD2 -0.02 -0.00 0.01 -0.04 7.28 7.22 1oh5A1 PHE 334 HE2 -0.02 0.08 0.01 -0.04 7.38 7.41 1oh5A1 PHE 334 HZ -0.01 0.01 -0.06 -0.04 7.32 7.22 1oh5A1 THR 335 H 0.03 0.37 -0.14 -0.55 8.28 7.99 1oh5A1 THR 335 HA 0.05 -0.00 0.37 -0.75 4.39 4.05 1oh5A1 THR 335 HB 0.01 0.01 0.10 -0.04 4.32 4.40 1oh5A1 THR 335 HG23 0.01 0.05 0.09 -0.04 1.22 1.32 1oh5A1 ALA 336 H -0.01 0.22 -0.13 -0.55 8.40 7.93 1oh5A1 ALA 336 HA 0.01 0.04 0.29 -0.75 4.34 3.92 1oh5A1 ALA 336 HB3 -0.01 0.02 0.08 -0.04 1.41 1.45 1oh5A1 GLY 337 H 0.03 0.22 -0.43 -0.55 8.43 7.69 1oh5A1 GLY 337 HA2 0.02 0.10 0.59 -0.51 4.01 4.20 1oh5A1 GLY 337 HA3 0.03 0.00 0.27 -0.51 4.01 3.81 1oh5A1 LEU 338 H 0.05 0.42 0.10 -0.55 8.37 8.39 1oh5A1 LEU 338 HA 0.02 0.06 0.66 -0.75 4.35 4.35 1oh5A1 LEU 338 HB2 0.04 0.08 0.13 -0.04 1.64 1.85 1oh5A1 LEU 338 HB3 0.02 -0.07 -0.03 -0.04 1.64 1.52 1oh5A1 LEU 338 HG 0.07 0.05 0.01 -0.04 1.64 1.73 1oh5A1 LEU 338 HD13 0.02 -0.00 -0.08 -0.04 0.93 0.82 1oh5A1 LEU 338 HD23 0.01 -0.01 -0.01 -0.04 0.89 0.84 1oh5A1 GLN 339 H 0.02 0.58 0.06 -0.55 8.47 8.58 1oh5A1 GLN 339 HA 0.00 -0.04 0.31 -0.75 4.36 3.88 1oh5A1 GLN 339 HB2 0.01 0.13 0.04 -0.04 2.15 2.29 1oh5A1 GLN 339 HB3 -0.00 -0.01 -0.04 -0.04 2.02 1.93 1oh5A1 GLN 339 HG2 -0.00 -0.09 -0.01 -0.04 2.40 2.26 1oh5A1 GLN 339 HG3 0.01 0.05 0.04 -0.04 2.39 2.45 1oh5A1 GLN 339 HE21 -0.01 0.07 0.00 -0.04 6.97 6.99 1oh5A1 GLN 339 HE22 -0.01 -0.06 -0.27 -0.04 7.69 7.31 1oh5A1 PRO 340 HA 0.01 0.08 0.57 -0.51 4.44 4.58 1oh5A1 PRO 340 HB2 0.01 0.04 -0.04 -0.04 2.28 2.25 1oh5A1 PRO 340 HB3 0.01 -0.01 0.07 -0.04 2.02 2.05 1oh5A1 PRO 340 HG2 0.01 0.11 0.09 -0.04 2.03 2.19 1oh5A1 PRO 340 HG3 0.01 0.01 0.04 -0.04 2.03 2.04 1oh5A1 PRO 340 HD2 0.01 0.14 -0.52 -0.04 3.68 3.27 1oh5A1 PRO 340 HD3 0.01 0.15 -0.04 -0.04 3.65 3.73 1oh5A1 VAL 341 H 0.01 0.26 -0.27 -0.55 8.24 7.69 1oh5A1 VAL 341 HA -0.00 0.06 0.56 -0.75 4.13 3.99 1oh5A1 VAL 341 HB 0.00 0.06 0.20 -0.04 2.12 2.35 1oh5A1 VAL 341 HG13 -0.01 -0.02 -0.07 -0.04 0.97 0.83 1oh5A1 VAL 341 HG23 0.01 0.02 0.07 -0.04 0.95 1.01 1oh5A1 LEU 342 H 0.00 0.85 0.13 -0.55 8.37 8.80 1oh5A1 LEU 342 HA -0.00 -0.00 0.37 -0.75 4.35 3.96 1oh5A1 LEU 342 HB2 -0.00 0.13 0.07 -0.04 1.64 1.79 1oh5A1 LEU 342 HB3 -0.01 -0.09 -0.09 -0.04 1.64 1.41 1oh5A1 LEU 342 HG -0.00 0.03 0.00 -0.04 1.64 1.64 1oh5A1 LEU 342 HD13 -0.01 -0.03 -0.16 -0.04 0.93 0.68 1oh5A1 LEU 342 HD23 -0.00 0.00 0.05 -0.04 0.89 0.90 1oh5A1 ARG 343 H -0.00 0.38 -0.53 -0.55 8.46 7.76 1oh5A1 ARG 343 HA -0.00 -0.04 0.26 -0.75 4.34 3.80 1oh5A1 ARG 343 HB2 0.00 0.03 0.13 -0.04 1.90 2.02 1oh5A1 ARG 343 HB3 0.01 0.22 0.14 -0.04 1.80 2.12 1oh5A1 ARG 343 HG2 0.02 -0.02 -0.23 -0.04 1.67 1.40 1oh5A1 ARG 343 HG3 0.01 0.03 0.01 -0.04 1.67 1.68 1oh5A1 ARG 343 HD2 0.01 0.01 0.03 -0.04 3.22 3.23 1oh5A1 ARG 343 HD3 0.01 -0.07 -0.01 -0.04 3.22 3.11 1oh5A1 GLN 344 H 0.01 0.39 -0.15 -0.55 8.47 8.17 1oh5A1 GLN 344 HA 0.07 -0.05 0.23 -0.75 4.36 3.86 1oh5A1 GLN 344 HB2 -0.06 0.17 0.11 -0.04 2.15 2.33 1oh5A1 GLN 344 HB3 -0.11 -0.05 0.04 -0.04 2.02 1.86 1oh5A1 GLN 344 HG2 0.02 0.24 0.20 -0.04 2.40 2.82 1oh5A1 GLN 344 HG3 0.02 -0.07 0.07 -0.04 2.39 2.38 1oh5A1 GLN 344 HE21 0.06 -0.07 -0.00 -0.04 6.97 6.92 1oh5A1 GLN 344 HE22 0.04 0.09 0.04 -0.04 7.69 7.82 1oh5A1 VAL 345 H -0.02 0.31 -0.49 -0.55 8.24 7.49 1oh5A1 VAL 345 HA -0.04 -0.01 0.54 -0.75 4.13 3.87 1oh5A1 VAL 345 HB -0.01 0.23 0.17 -0.04 2.12 2.47 1oh5A1 VAL 345 HG13 -0.00 -0.02 -0.14 -0.04 0.97 0.76 1oh5A1 VAL 345 HG23 0.00 -0.01 0.01 -0.04 0.95 0.91 1oh5A1 GLY 346 H -0.00 0.38 0.05 -0.55 8.43 8.31 1oh5A1 GLY 346 HA2 0.00 0.10 0.37 -0.51 4.01 3.96 1oh5A1 GLY 346 HA3 0.00 0.08 0.42 -0.51 4.01 4.00 1oh5A1 ASP 347 H -0.01 0.22 0.13 -0.55 8.40 8.20 1oh5A1 ASP 347 HA -0.01 0.02 0.72 -0.75 4.63 4.60 1oh5A1 ASP 347 HB2 -0.01 0.07 0.16 -0.04 2.71 2.88 1oh5A1 ASP 347 HB3 -0.02 0.02 0.25 -0.04 2.70 2.91 1oh5A1 LEU 348 H -0.02 0.46 -0.22 -0.55 8.37 8.05 1oh5A1 LEU 348 HA -0.05 0.07 0.34 -0.75 4.35 3.96 1oh5A1 LEU 348 HB2 -0.03 0.19 -0.01 -0.04 1.64 1.74 1oh5A1 LEU 348 HB3 -0.01 -0.01 0.03 -0.04 1.64 1.61 1oh5A1 LEU 348 HG -0.01 -0.03 -0.11 -0.04 1.64 1.44 1oh5A1 LEU 348 HD13 -0.11 -0.01 0.05 -0.04 0.93 0.82 1oh5A1 LEU 348 HD23 0.03 0.02 -0.05 -0.04 0.89 0.85 1oh5A1 GLU 349 H -0.01 0.08 -0.18 -0.55 8.60 7.95 1oh5A1 GLU 349 HA 0.01 0.11 0.40 -0.75 4.29 4.05 1oh5A1 GLU 349 HB2 0.01 0.02 0.09 -0.04 2.09 2.17 1oh5A1 GLU 349 HB3 -0.00 -0.10 0.11 -0.04 1.99 1.95 1oh5A1 GLU 349 HG2 0.01 0.20 -0.13 -0.04 2.34 2.38 1oh5A1 GLU 349 HG3 0.02 0.03 0.05 -0.04 2.34 2.40 1oh5A1 ARG 350 H -0.02 0.10 -0.13 -0.55 8.46 7.86 1oh5A1 ARG 350 HA -0.02 0.28 0.44 -0.75 4.34 4.28 1oh5A1 ARG 350 HB2 -0.02 0.01 0.08 -0.04 1.90 1.92 1oh5A1 ARG 350 HB3 -0.03 -0.00 0.00 -0.04 1.80 1.74 1oh5A1 ARG 350 HG2 -0.01 0.06 0.03 -0.04 1.67 1.70 1oh5A1 ARG 350 HG3 -0.01 -0.05 -0.01 -0.04 1.67 1.56 1oh5A1 ARG 350 HD2 -0.01 -0.03 -0.06 -0.04 3.22 3.07 1oh5A1 ARG 350 HD3 -0.01 0.00 -0.13 -0.04 3.22 3.04 1oh5A1 ILE 351 H -0.04 0.31 -0.26 -0.55 8.25 7.72 1oh5A1 ILE 351 HA -0.05 -0.01 0.64 -0.75 4.18 4.01 1oh5A1 ILE 351 HB -0.06 0.08 0.13 -0.04 1.89 2.01 1oh5A1 ILE 351 HG12 -0.03 -0.11 0.08 -0.04 1.49 1.38 1oh5A1 ILE 351 HG13 -0.03 0.09 0.05 -0.04 1.21 1.27 1oh5A1 ILE 351 HG23 -0.07 -0.02 -0.10 -0.04 0.93 0.71 1oh5A1 ILE 351 HD13 -0.05 0.01 -0.10 -0.04 0.88 0.70 1oh5A1 LEU 352 H -0.04 0.62 -0.12 -0.55 8.37 8.28 1oh5A1 LEU 352 HA -0.06 -0.01 0.47 -0.75 4.35 4.00 1oh5A1 LEU 352 HB2 -0.02 0.21 0.07 -0.04 1.64 1.86 1oh5A1 LEU 352 HB3 -0.02 -0.05 0.03 -0.04 1.64 1.56 1oh5A1 LEU 352 HG -0.03 0.21 0.08 -0.04 1.64 1.85 1oh5A1 LEU 352 HD13 0.00 -0.02 -0.23 -0.04 0.93 0.64 1oh5A1 LEU 352 HD23 -0.03 -0.02 -0.06 -0.04 0.89 0.74 1oh5A1 ALA 353 H -0.07 0.20 -0.44 -0.55 8.40 7.54 1oh5A1 ALA 353 HA -0.26 0.07 0.50 -0.75 4.34 3.90 1oh5A1 ALA 353 HB3 -0.07 0.15 0.11 -0.04 1.41 1.56 1oh5A1 ARG 354 H -0.10 0.44 -0.08 -0.55 8.46 8.17 1oh5A1 ARG 354 HA -0.14 0.12 0.37 -0.75 4.34 3.93 1oh5A1 ARG 354 HB2 -0.07 0.11 0.25 -0.04 1.90 2.16 1oh5A1 ARG 354 HB3 -0.07 -0.22 0.09 -0.04 1.80 1.55 1oh5A1 ARG 354 HG2 -0.06 -0.03 -0.03 -0.04 1.67 1.51 1oh5A1 ARG 354 HG3 -0.06 0.20 0.08 -0.04 1.67 1.85 1oh5A1 ARG 354 HD2 -0.03 -0.07 0.08 -0.04 3.22 3.16 1oh5A1 ARG 354 HD3 -0.02 -0.10 0.04 -0.04 3.22 3.09 1oh5A1 LEU 355 H -0.14 0.62 -0.11 -0.55 8.37 8.19 1oh5A1 LEU 355 HA -0.42 -0.05 0.47 -0.75 4.35 3.61 1oh5A1 LEU 355 HB2 -0.08 0.01 0.09 -0.04 1.64 1.61 1oh5A1 LEU 355 HB3 -0.11 0.11 0.12 -0.04 1.64 1.72 1oh5A1 LEU 355 HG -0.10 0.05 -0.26 -0.04 1.64 1.30 1oh5A1 LEU 355 HD13 0.07 -0.02 -0.02 -0.04 0.93 0.92 1oh5A1 LEU 355 HD23 0.01 -0.00 -0.13 -0.04 0.89 0.72 1oh5A1 ALA 356 H -0.21 0.49 -0.33 -0.55 8.40 7.81 1oh5A1 ALA 356 HA -0.13 0.01 0.40 -0.75 4.34 3.86 1oh5A1 ALA 356 HB3 -0.30 -0.00 0.09 -0.04 1.41 1.16 1oh5A1 LEU 357 H -0.27 0.43 -0.22 -0.55 8.37 7.76 1oh5A1 LEU 357 HA -0.12 0.15 0.51 -0.75 4.35 4.14 1oh5A1 LEU 357 HB2 -0.17 -0.02 0.08 -0.04 1.64 1.49 1oh5A1 LEU 357 HB3 -0.10 -0.04 0.02 -0.04 1.64 1.48 1oh5A1 LEU 357 HG -0.31 -0.01 -0.00 -0.04 1.64 1.27 1oh5A1 LEU 357 HD13 -0.07 -0.02 -0.09 -0.04 0.93 0.72 1oh5A1 LEU 357 HD23 0.01 0.02 0.02 -0.04 0.89 0.90 1oh5A1 ARG 358 H -0.34 0.18 -0.51 -0.55 8.46 7.24 1oh5A1 ARG 358 HA -0.81 -0.04 0.33 -0.75 4.34 3.06 1oh5A1 ARG 358 HB2 -0.11 0.15 -0.35 -0.04 1.90 1.55 1oh5A1 ARG 358 HB3 -0.05 -0.07 0.25 -0.04 1.80 1.89 1oh5A1 ARG 358 HG2 -0.30 -0.07 0.06 -0.04 1.67 1.32 1oh5A1 ARG 358 HG3 -0.15 0.12 -0.05 -0.04 1.67 1.54 1oh5A1 ARG 358 HD2 0.03 0.01 0.02 -0.04 3.22 3.25 1oh5A1 ARG 358 HD3 0.17 -0.07 0.03 -0.04 3.22 3.31 1oh5A1 THR 359 H -0.34 0.07 0.15 -0.55 8.28 7.61 1oh5A1 THR 359 HA 0.01 0.15 0.73 -0.75 4.39 4.53 1oh5A1 THR 359 HB -0.10 -0.02 -0.04 -0.04 4.32 4.12 1oh5A1 THR 359 HG23 -0.02 -0.04 -0.16 -0.04 1.22 0.95 1oh5A1 ALA 360 H -0.16 0.15 -0.06 -0.55 8.40 7.78 1oh5A1 ALA 360 HA 0.03 -0.07 0.42 -0.75 4.34 3.96 1oh5A1 ALA 360 HB3 0.03 -0.00 -0.10 -0.04 1.41 1.29 1oh5A1 ARG 361 H 0.08 -0.01 0.23 -0.55 8.46 8.22 1oh5A1 ARG 361 HA 0.16 0.22 0.73 -0.75 4.34 4.70 1oh5A1 ARG 361 HB2 0.03 -0.18 0.19 -0.04 1.90 1.90 1oh5A1 ARG 361 HB3 0.01 0.35 0.37 -0.04 1.80 2.49 1oh5A1 ARG 361 HG2 0.02 -0.02 0.11 -0.04 1.67 1.74 1oh5A1 ARG 361 HG3 0.06 0.15 0.02 -0.04 1.67 1.86 1oh5A1 ARG 361 HD2 0.01 -0.08 0.07 -0.04 3.22 3.19 1oh5A1 ARG 361 HD3 0.00 0.02 0.09 -0.04 3.22 3.29 1oh5A1 PRO 362 HA 0.20 0.05 0.39 -0.51 4.44 4.57 1oh5A1 PRO 362 HB2 -0.01 0.35 -0.05 -0.04 2.28 2.53 1oh5A1 PRO 362 HB3 0.01 0.01 0.01 -0.04 2.02 2.01 1oh5A1 PRO 362 HG2 -0.12 0.11 -0.44 -0.04 2.03 1.54 1oh5A1 PRO 362 HG3 -0.27 -0.02 -0.08 -0.04 2.03 1.62 1oh5A1 PRO 362 HD2 -0.05 0.44 0.11 -0.04 3.68 4.14 1oh5A1 PRO 362 HD3 -0.18 0.05 0.18 -0.04 3.65 3.66 1oh5A1 ARG 363 H 0.02 0.21 -0.23 -0.55 8.46 7.91 1oh5A1 ARG 363 HA -0.00 0.14 0.43 -0.75 4.34 4.15 1oh5A1 ARG 363 HB2 -0.00 -0.01 0.07 -0.04 1.90 1.91 1oh5A1 ARG 363 HB3 -0.01 -0.01 -0.02 -0.04 1.80 1.72 1oh5A1 ARG 363 HG2 -0.02 0.00 0.02 -0.04 1.67 1.63 1oh5A1 ARG 363 HG3 -0.01 0.13 -0.11 -0.04 1.67 1.63 1oh5A1 ARG 363 HD2 -0.02 -0.08 -0.08 -0.04 3.22 3.00 1oh5A1 ARG 363 HD3 -0.02 -0.04 -0.03 -0.04 3.22 3.09 1oh5A1 ASP 364 H 0.04 0.19 -0.24 -0.55 8.40 7.85 1oh5A1 ASP 364 HA -0.01 0.10 0.68 -0.75 4.63 4.64 1oh5A1 ASP 364 HB2 0.07 0.14 0.12 -0.04 2.71 3.00 1oh5A1 ASP 364 HB3 0.00 0.03 0.08 -0.04 2.70 2.77 1oh5A1 LEU 365 H 0.07 0.45 -0.13 -0.55 8.37 8.21 1oh5A1 LEU 365 HA -0.02 0.04 0.46 -0.75 4.35 4.07 1oh5A1 LEU 365 HB2 0.07 0.15 0.11 -0.04 1.64 1.92 1oh5A1 LEU 365 HB3 -0.01 -0.02 0.02 -0.04 1.64 1.59 1oh5A1 LEU 365 HG 0.16 0.06 -0.15 -0.04 1.64 1.66 1oh5A1 LEU 365 HD13 -0.22 -0.00 -0.09 -0.04 0.93 0.58 1oh5A1 LEU 365 HD23 0.10 -0.01 -0.11 -0.04 0.89 0.83 1oh5A1 ALA 366 H 0.00 0.37 -0.17 -0.55 8.40 8.05 1oh5A1 ALA 366 HA -0.02 0.09 0.40 -0.75 4.34 4.05 1oh5A1 ALA 366 HB3 -0.02 0.05 0.09 -0.04 1.41 1.49 1oh5A1 ARG 367 H -0.03 0.39 -0.19 -0.55 8.46 8.07 1oh5A1 ARG 367 HA 0.01 0.10 0.58 -0.75 4.34 4.27 1oh5A1 ARG 367 HB2 -0.03 0.06 0.17 -0.04 1.90 2.05 1oh5A1 ARG 367 HB3 -0.02 0.00 0.06 -0.04 1.80 1.80 1oh5A1 ARG 367 HG2 -0.03 0.02 0.06 -0.04 1.67 1.68 1oh5A1 ARG 367 HG3 -0.04 0.06 0.09 -0.04 1.67 1.74 1oh5A1 ARG 367 HD2 -0.02 -0.05 0.03 -0.04 3.22 3.14 1oh5A1 ARG 367 HD3 -0.03 -0.02 0.02 -0.04 3.22 3.15 1oh5A1 MET 368 H -0.12 0.33 -0.39 -0.55 8.47 7.75 1oh5A1 MET 368 HA -0.33 0.06 0.56 -0.75 4.52 4.06 1oh5A1 MET 368 HB2 -0.19 0.02 0.08 -0.04 2.15 2.02 1oh5A1 MET 368 HB3 -0.22 0.14 0.13 -0.04 2.03 2.04 1oh5A1 MET 368 HG2 -1.24 -0.03 -0.17 -0.04 2.63 1.14 1oh5A1 MET 368 HG3 -0.46 -0.03 0.02 -0.04 2.56 2.05 1oh5A1 MET 368 HE3 -0.04 -0.01 -0.11 -0.04 2.10 1.90 1oh5A1 ARG 369 H -0.16 0.42 -0.19 -0.55 8.46 7.97 1oh5A1 ARG 369 HA -0.15 -0.02 0.50 -0.75 4.34 3.92 1oh5A1 ARG 369 HB2 -0.04 -0.01 0.12 -0.04 1.90 1.93 1oh5A1 ARG 369 HB3 -0.03 0.20 0.20 -0.04 1.80 2.13 1oh5A1 ARG 369 HG2 0.05 -0.01 -0.22 -0.04 1.67 1.45 1oh5A1 ARG 369 HG3 0.06 -0.05 -0.00 -0.04 1.67 1.64 1oh5A1 ARG 369 HD2 0.03 -0.06 -0.26 -0.04 3.22 2.89 1oh5A1 ARG 369 HD3 0.01 0.06 -0.31 -0.04 3.22 2.94 1oh5A1 HIS 370 H 0.03 0.49 -0.11 -0.55 8.41 8.27 1oh5A1 HIS 370 HA -0.02 -0.00 0.42 -0.75 4.63 4.28 1oh5A1 HIS 370 HB2 -0.04 0.07 0.15 -0.04 3.26 3.40 1oh5A1 HIS 370 HB3 -0.06 0.12 0.14 -0.04 3.20 3.36 1oh5A1 HIS 370 HD2 -0.02 0.17 0.01 -0.04 6.97 7.09 1oh5A1 HIS 370 HE1 -0.00 -0.05 0.01 -0.04 7.75 7.66 1oh5A1 ALA 371 H -0.13 0.26 -0.50 -0.55 8.40 7.48 1oh5A1 ALA 371 HA -0.09 0.09 0.42 -0.75 4.34 4.01 1oh5A1 ALA 371 HB3 -0.13 0.06 0.18 -0.04 1.41 1.48 1oh5A1 PHE 372 H -0.23 0.51 -0.04 -0.55 8.34 8.03 1oh5A1 PHE 372 HA 0.04 0.02 0.40 -0.75 4.62 4.32 1oh5A1 PHE 372 HB2 0.02 0.12 0.17 -0.04 3.15 3.41 1oh5A1 PHE 372 HB3 0.05 -0.01 0.11 -0.04 3.06 3.17 1oh5A1 PHE 372 HD2 -0.00 -0.05 -0.08 -0.04 7.28 7.11 1oh5A1 PHE 372 HE2 -0.20 -0.04 -0.09 -0.04 7.38 7.02 1oh5A1 PHE 372 HZ -0.25 -0.04 -0.04 -0.04 7.32 6.95 1oh5A1 GLN 373 H 0.05 0.36 -0.63 -0.55 8.47 7.70 1oh5A1 GLN 373 HA 0.06 -0.03 0.39 -0.75 4.36 4.02 1oh5A1 GLN 373 HB2 -0.05 0.23 0.10 -0.04 2.15 2.38 1oh5A1 GLN 373 HB3 -0.01 -0.09 0.12 -0.04 2.02 2.00 1oh5A1 GLN 373 HG2 0.06 -0.10 0.02 -0.04 2.40 2.33 1oh5A1 GLN 373 HG3 0.08 0.11 0.02 -0.04 2.39 2.56 1oh5A1 GLN 373 HE21 0.06 -0.01 -0.05 -0.04 6.97 6.93 1oh5A1 GLN 373 HE22 0.06 -0.05 -0.05 -0.04 7.69 7.61 1oh5A1 GLN 374 H 0.00 0.62 -0.45 -0.55 8.47 8.10 1oh5A1 GLN 374 HA -0.03 0.10 0.95 -0.75 4.36 4.62 1oh5A1 GLN 374 HB2 -0.04 0.05 -0.03 -0.04 2.15 2.08 1oh5A1 GLN 374 HB3 -0.05 -0.11 0.09 -0.04 2.02 1.91 1oh5A1 GLN 374 HG2 -0.21 0.32 -0.01 -0.04 2.40 2.46 1oh5A1 GLN 374 HG3 -0.17 -0.05 -0.18 -0.04 2.39 1.95 1oh5A1 GLN 374 HE21 -0.12 -0.09 -0.09 -0.04 6.97 6.62 1oh5A1 GLN 374 HE22 -0.14 -0.14 -1.06 -0.04 7.69 6.31 1oh5A1 LEU 375 H 0.05 0.45 -0.02 -0.55 8.37 8.31 1oh5A1 LEU 375 HA 0.03 0.06 0.52 -0.75 4.35 4.20 1oh5A1 LEU 375 HB2 0.07 0.11 0.19 -0.04 1.64 1.97 1oh5A1 LEU 375 HB3 0.05 0.06 0.06 -0.04 1.64 1.76 1oh5A1 LEU 375 HG 0.17 0.09 0.10 -0.04 1.64 1.96 1oh5A1 LEU 375 HD13 0.21 0.04 -0.20 -0.04 0.93 0.93 1oh5A1 LEU 375 HD23 0.09 -0.03 -0.13 -0.04 0.89 0.78 1oh5A1 PRO 376 HA -0.00 0.07 0.57 -0.51 4.44 4.57 1oh5A1 PRO 376 HB2 0.01 0.06 -0.04 -0.04 2.28 2.26 1oh5A1 PRO 376 HB3 0.00 -0.00 0.06 -0.04 2.02 2.04 1oh5A1 PRO 376 HG2 0.02 0.08 0.03 -0.04 2.03 2.12 1oh5A1 PRO 376 HG3 0.01 -0.00 0.05 -0.04 2.03 2.05 1oh5A1 PRO 376 HD2 0.02 0.14 -0.24 -0.04 3.68 3.57 1oh5A1 PRO 376 HD3 0.04 0.31 0.19 -0.04 3.65 4.15 1oh5A1 GLU 377 H 0.00 0.26 -0.33 -0.55 8.60 7.98 1oh5A1 GLU 377 HA 0.00 0.05 0.57 -0.75 4.29 4.16 1oh5A1 GLU 377 HB2 0.00 0.00 0.09 -0.04 2.09 2.14 1oh5A1 GLU 377 HB3 -0.00 0.16 0.09 -0.04 1.99 2.20 1oh5A1 GLU 377 HG2 0.00 0.03 0.02 -0.04 2.34 2.36 1oh5A1 GLU 377 HG3 0.01 0.02 -0.13 -0.04 2.34 2.19 1oh5A1 LEU 378 H 0.00 0.40 -0.18 -0.55 8.37 8.04 1oh5A1 LEU 378 HA -0.00 0.03 0.55 -0.75 4.35 4.18 1oh5A1 LEU 378 HB2 0.01 0.11 0.19 -0.04 1.64 1.90 1oh5A1 LEU 378 HB3 0.00 -0.03 0.04 -0.04 1.64 1.61 1oh5A1 LEU 378 HG 0.00 0.17 0.03 -0.04 1.64 1.79 1oh5A1 LEU 378 HD13 0.01 -0.01 -0.06 -0.04 0.93 0.83 1oh5A1 LEU 378 HD23 0.00 -0.03 0.02 -0.04 0.89 0.84 1oh5A1 ARG 379 H -0.00 0.28 -0.36 -0.55 8.46 7.82 1oh5A1 ARG 379 HA -0.02 0.08 0.40 -0.75 4.34 4.05 1oh5A1 ARG 379 HB2 -0.01 0.05 0.23 -0.04 1.90 2.13 1oh5A1 ARG 379 HB3 -0.02 -0.08 -0.02 -0.04 1.80 1.64 1oh5A1 ARG 379 HG2 -0.02 -0.02 0.01 -0.04 1.67 1.60 1oh5A1 ARG 379 HG3 -0.01 0.16 0.02 -0.04 1.67 1.80 1oh5A1 ARG 379 HD2 -0.04 0.09 -0.07 -0.04 3.22 3.16 1oh5A1 ARG 379 HD3 -0.02 -0.08 -0.07 -0.04 3.22 3.01 1oh5A1 ALA 380 H -0.01 0.39 -0.11 -0.55 8.40 8.13 1oh5A1 ALA 380 HA -0.01 0.02 0.44 -0.75 4.34 4.03 1oh5A1 ALA 380 HB3 0.00 0.02 0.11 -0.04 1.41 1.50 1oh5A1 GLN 381 H -0.00 0.43 -0.25 -0.55 8.47 8.10 1oh5A1 GLN 381 HA 0.02 -0.02 0.26 -0.75 4.36 3.87 1oh5A1 GLN 381 HB2 -0.00 0.08 0.16 -0.04 2.15 2.35 1oh5A1 GLN 381 HB3 0.01 -0.03 -0.04 -0.04 2.02 1.92 1oh5A1 GLN 381 HG2 0.04 -0.09 0.04 -0.04 2.40 2.35 1oh5A1 GLN 381 HG3 0.02 0.22 0.09 -0.04 2.39 2.68 1oh5A1 GLN 381 HE21 0.03 0.42 -0.17 -0.04 6.97 7.20 1oh5A1 GLN 381 HE22 0.02 -0.04 -0.03 -0.04 7.69 7.60 1oh5A1 LEU 382 H -0.05 0.39 -0.42 -0.55 8.37 7.75 1oh5A1 LEU 382 HA -0.19 0.04 0.45 -0.75 4.35 3.90 1oh5A1 LEU 382 HB2 -0.05 0.14 0.09 -0.04 1.64 1.78 1oh5A1 LEU 382 HB3 -0.08 -0.06 0.02 -0.04 1.64 1.48 1oh5A1 LEU 382 HG -0.05 0.03 0.04 -0.04 1.64 1.62 1oh5A1 LEU 382 HD13 -0.02 -0.00 -0.04 -0.04 0.93 0.83 1oh5A1 LEU 382 HD23 -0.09 -0.03 -0.04 -0.04 0.89 0.70 1oh5A1 GLU 383 H -0.05 0.41 -0.26 -0.55 8.60 8.16 1oh5A1 GLU 383 HA -0.05 0.02 0.45 -0.75 4.29 3.96 1oh5A1 GLU 383 HB2 -0.03 0.11 0.15 -0.04 2.09 2.27 1oh5A1 GLU 383 HB3 -0.03 0.06 0.14 -0.04 1.99 2.11 1oh5A1 GLU 383 HG2 -0.02 -0.01 -0.15 -0.04 2.34 2.11 1oh5A1 GLU 383 HG3 -0.02 -0.04 0.03 -0.04 2.34 2.26 1oh5A1 THR 384 H -0.06 0.28 -0.18 -0.55 8.28 7.77 1oh5A1 THR 384 HA -0.02 0.03 0.34 -0.75 4.39 3.98 1oh5A1 THR 384 HB 0.07 -0.05 0.09 -0.04 4.32 4.38 1oh5A1 THR 384 HG23 0.02 0.00 0.01 -0.04 1.22 1.22 1oh5A1 VAL 385 H -0.25 0.23 -0.63 -0.55 8.24 7.04 1oh5A1 VAL 385 HA -0.32 0.03 0.53 -0.75 4.13 3.63 1oh5A1 VAL 385 HB -0.27 0.13 0.12 -0.04 2.12 2.06 1oh5A1 VAL 385 HG13 -0.21 -0.01 -0.28 -0.04 0.97 0.43 1oh5A1 VAL 385 HG23 -1.18 0.01 -0.01 -0.04 0.95 -0.27 1oh5A1 ASP 386 H -0.02 0.20 0.18 -0.55 8.40 8.21 1oh5A1 ASP 386 HA -0.02 0.07 0.49 -0.75 4.63 4.41 1oh5A1 ASP 386 HB2 0.01 0.05 0.11 -0.04 2.71 2.84 1oh5A1 ASP 386 HB3 0.02 -0.00 0.24 -0.04 2.70 2.92 1oh5A1 SER 387 H -0.03 0.42 0.19 -0.55 8.46 8.50 1oh5A1 SER 387 HA 0.00 0.04 0.48 -0.75 4.49 4.26 1oh5A1 SER 387 HB2 -0.01 0.21 -0.25 -0.04 3.95 3.86 1oh5A1 SER 387 HB3 -0.03 -0.03 -0.08 -0.04 3.93 3.75 1oh5A1 ALA 388 H 0.01 0.19 0.15 -0.55 8.40 8.19 1oh5A1 ALA 388 HA -0.01 0.11 0.57 -0.75 4.34 4.26 1oh5A1 ALA 388 HB3 0.00 0.03 0.11 -0.04 1.41 1.51 1oh5A1 PRO 389 HA 0.01 0.07 0.47 -0.51 4.44 4.48 1oh5A1 PRO 389 HB2 0.03 0.06 -0.02 -0.04 2.28 2.31 1oh5A1 PRO 389 HB3 0.03 0.08 0.04 -0.04 2.02 2.13 1oh5A1 PRO 389 HG2 0.03 0.15 0.14 -0.04 2.03 2.31 1oh5A1 PRO 389 HG3 0.02 0.04 0.10 -0.04 2.03 2.15 1oh5A1 PRO 389 HD2 0.01 0.04 0.12 -0.04 3.68 3.81 1oh5A1 PRO 389 HD3 0.01 0.09 0.20 -0.04 3.65 3.91 1oh5A1 VAL 390 H -0.00 0.13 -0.44 -0.55 8.24 7.38 1oh5A1 VAL 390 HA -0.00 0.10 0.48 -0.75 4.13 3.95 1oh5A1 VAL 390 HB -0.05 0.17 0.04 -0.04 2.12 2.24 1oh5A1 VAL 390 HG13 -0.08 0.01 -0.10 -0.04 0.97 0.76 1oh5A1 VAL 390 HG23 -0.03 -0.01 -0.04 -0.04 0.95 0.83 1oh5A1 GLN 391 H -0.02 0.36 -0.12 -0.55 8.47 8.15 1oh5A1 GLN 391 HA -0.03 0.10 0.50 -0.75 4.36 4.18 1oh5A1 GLN 391 HB2 -0.02 0.04 0.20 -0.04 2.15 2.33 1oh5A1 GLN 391 HB3 -0.02 -0.07 0.12 -0.04 2.02 2.01 1oh5A1 GLN 391 HG2 -0.04 0.21 0.20 -0.04 2.40 2.74 1oh5A1 GLN 391 HG3 -0.03 -0.10 0.08 -0.04 2.39 2.30 1oh5A1 GLN 391 HE21 -0.07 0.03 0.24 -0.04 6.97 7.13 1oh5A1 GLN 391 HE22 -0.08 0.26 0.15 -0.04 7.69 7.98 1oh5A1 ALA 392 H -0.00 0.41 -0.20 -0.55 8.40 8.06 1oh5A1 ALA 392 HA -0.00 0.06 0.67 -0.75 4.34 4.31 1oh5A1 ALA 392 HB3 0.01 0.04 0.08 -0.04 1.41 1.49 1oh5A1 LEU 393 H 0.01 0.34 -0.33 -0.55 8.37 7.84 1oh5A1 LEU 393 HA 0.03 0.06 0.66 -0.75 4.35 4.35 1oh5A1 LEU 393 HB2 0.02 0.14 0.17 -0.04 1.64 1.92 1oh5A1 LEU 393 HB3 0.03 -0.01 0.07 -0.04 1.64 1.68 1oh5A1 LEU 393 HG 0.04 -0.01 -0.00 -0.04 1.64 1.62 1oh5A1 LEU 393 HD13 0.06 -0.00 -0.06 -0.04 0.93 0.88 1oh5A1 LEU 393 HD23 0.06 0.00 0.05 -0.04 0.89 0.96 1oh5A1 ARG 394 H -0.01 0.15 -0.31 -0.55 8.46 7.75 1oh5A1 ARG 394 HA -0.01 0.12 0.59 -0.75 4.34 4.29 1oh5A1 ARG 394 HB2 -0.03 0.10 0.08 -0.04 1.90 2.02 1oh5A1 ARG 394 HB3 -0.02 0.06 0.15 -0.04 1.80 1.95 1oh5A1 ARG 394 HG2 -0.03 -0.05 -0.15 -0.04 1.67 1.41 1oh5A1 ARG 394 HG3 -0.02 0.01 0.03 -0.04 1.67 1.64 1oh5A1 ARG 394 HD2 -0.04 0.10 -0.03 -0.04 3.22 3.21 1oh5A1 ARG 394 HD3 -0.04 0.06 -0.18 -0.04 3.22 3.02 1oh5A1 GLU 395 H -0.01 0.30 -0.22 -0.55 8.60 8.12 1oh5A1 GLU 395 HA -0.03 0.04 0.44 -0.75 4.29 3.99 1oh5A1 GLU 395 HB2 -0.02 0.03 0.15 -0.04 2.09 2.21 1oh5A1 GLU 395 HB3 -0.01 0.08 0.22 -0.04 1.99 2.24 1oh5A1 GLU 395 HG2 -0.01 -0.03 0.01 -0.04 2.34 2.27 1oh5A1 GLU 395 HG3 -0.02 0.01 -0.23 -0.04 2.34 2.06 1oh5A1 LYS 396 H 0.01 0.33 -0.26 -0.55 8.42 7.95 1oh5A1 LYS 396 HA 0.02 0.01 0.32 -0.75 4.32 3.91 1oh5A1 LYS 396 HB2 0.02 0.05 0.14 -0.04 1.87 2.04 1oh5A1 LYS 396 HB3 0.03 0.02 0.10 -0.04 1.79 1.90 1oh5A1 LYS 396 HG2 0.06 0.15 -0.07 -0.04 1.46 1.56 1oh5A1 LYS 396 HG3 0.04 -0.08 0.04 -0.04 1.46 1.41 1oh5A1 LYS 396 HD2 0.04 -0.02 -0.01 -0.04 1.69 1.66 1oh5A1 LYS 396 HD3 0.05 -0.00 -0.02 -0.04 1.68 1.67 1oh5A1 LYS 396 HE2 0.06 0.01 -0.04 -0.04 2.99 2.98 1oh5A1 LYS 396 HE3 0.05 -0.04 0.01 -0.04 2.99 2.97 1oh5A1 MET 397 H 0.02 0.17 -0.71 -0.55 8.47 7.40 1oh5A1 MET 397 HA 0.08 0.02 0.52 -0.75 4.52 4.40 1oh5A1 MET 397 HB2 0.05 -0.10 0.06 -0.04 2.15 2.11 1oh5A1 MET 397 HB3 0.03 0.21 0.16 -0.04 2.03 2.38 1oh5A1 MET 397 HG2 0.03 0.25 -0.20 -0.04 2.63 2.66 1oh5A1 MET 397 HG3 0.08 -0.12 -0.13 -0.04 2.56 2.35 1oh5A1 MET 397 HE3 0.01 -0.01 -0.03 -0.04 2.10 2.03 1oh5A1 GLY 398 H -0.02 0.26 -0.41 -0.55 8.43 7.71 1oh5A1 GLY 398 HA2 -0.18 0.03 0.27 -0.51 4.01 3.62 1oh5A1 GLY 398 HA3 -0.23 -0.02 0.32 -0.51 4.01 3.57 1oh5A1 GLU 399 H -0.66 -0.09 0.19 -0.55 8.60 7.49 1oh5A1 GLU 399 HA -0.00 0.22 0.58 -0.75 4.29 4.33 1oh5A1 GLU 399 HB2 -0.11 0.14 -0.33 -0.04 2.09 1.75 1oh5A1 GLU 399 HB3 -0.16 -0.18 -0.02 -0.04 1.99 1.59 1oh5A1 GLU 399 HG2 -0.03 -0.01 -0.06 -0.04 2.34 2.20 1oh5A1 GLU 399 HG3 -0.03 0.09 -0.05 -0.04 2.34 2.32 1oh5A1 PHE 400 H -0.61 0.07 0.19 -0.55 8.34 7.44 1oh5A1 PHE 400 HA -0.29 -0.03 0.43 -0.75 4.62 3.98 1oh5A1 PHE 400 HB2 -0.97 0.25 -0.09 -0.04 3.15 2.30 1oh5A1 PHE 400 HB3 -0.82 -0.10 0.18 -0.04 3.06 2.28 1oh5A1 PHE 400 HD2 -0.27 0.03 -0.10 -0.04 7.28 6.90 1oh5A1 PHE 400 HE2 -0.04 0.15 -0.03 -0.04 7.38 7.43 1oh5A1 PHE 400 HZ -0.01 0.19 -0.46 -0.04 7.32 7.01 1oh5A1 ALA 401 H -0.12 0.10 -0.01 -0.55 8.40 7.82 1oh5A1 ALA 401 HA -0.02 0.22 0.47 -0.75 4.34 4.25 1oh5A1 ALA 401 HB3 -0.04 0.03 0.05 -0.04 1.41 1.41 1oh5A1 GLU 402 H -0.08 0.04 -0.13 -0.55 8.60 7.88 1oh5A1 GLU 402 HA -0.00 0.13 0.41 -0.75 4.29 4.07 1oh5A1 GLU 402 HB2 -0.05 -0.01 0.09 -0.04 2.09 2.08 1oh5A1 GLU 402 HB3 -0.08 -0.00 0.05 -0.04 1.99 1.92 1oh5A1 GLU 402 HG2 0.03 0.03 -0.14 -0.04 2.34 2.22 1oh5A1 GLU 402 HG3 0.01 0.01 0.03 -0.04 2.34 2.35 1oh5A1 LEU 403 H -0.07 0.12 -0.22 -0.55 8.37 7.65 1oh5A1 LEU 403 HA 0.08 0.11 0.43 -0.75 4.35 4.21 1oh5A1 LEU 403 HB2 -0.21 0.13 0.02 -0.04 1.64 1.53 1oh5A1 LEU 403 HB3 0.18 0.04 0.04 -0.04 1.64 1.86 1oh5A1 LEU 403 HG -0.10 -0.16 0.04 -0.04 1.64 1.38 1oh5A1 LEU 403 HD13 -0.10 0.02 0.02 -0.04 0.93 0.83 1oh5A1 LEU 403 HD23 0.15 0.02 -0.06 -0.04 0.89 0.95 1oh5A1 ARG 404 H 0.02 0.35 -0.15 -0.55 8.46 8.12 1oh5A1 ARG 404 HA 0.33 0.09 0.56 -0.75 4.34 4.56 1oh5A1 ARG 404 HB2 0.16 0.17 0.17 -0.04 1.90 2.36 1oh5A1 ARG 404 HB3 0.08 0.04 0.16 -0.04 1.80 2.03 1oh5A1 ARG 404 HG2 0.11 -0.05 -0.12 -0.04 1.67 1.57 1oh5A1 ARG 404 HG3 0.20 0.08 -0.01 -0.04 1.67 1.91 1oh5A1 ARG 404 HD2 0.08 0.00 -0.08 -0.04 3.22 3.18 1oh5A1 ARG 404 HD3 0.10 0.11 -0.16 -0.04 3.22 3.22 1oh5A1 ASP 405 H 0.05 0.47 -0.19 -0.55 8.40 8.18 1oh5A1 ASP 405 HA 0.05 0.04 0.37 -0.75 4.63 4.34 1oh5A1 ASP 405 HB2 0.03 0.09 0.14 -0.04 2.71 2.93 1oh5A1 ASP 405 HB3 0.04 0.11 0.07 -0.04 2.70 2.87 1oh5A1 LEU 406 H 0.08 0.15 -0.54 -0.55 8.37 7.50 1oh5A1 LEU 406 HA 0.09 0.07 0.57 -0.75 4.35 4.32 1oh5A1 LEU 406 HB2 0.09 0.03 0.11 -0.04 1.64 1.82 1oh5A1 LEU 406 HB3 0.09 0.11 0.21 -0.04 1.64 2.01 1oh5A1 LEU 406 HG 0.01 -0.01 -0.26 -0.04 1.64 1.35 1oh5A1 LEU 406 HD13 0.16 -0.01 0.02 -0.04 0.93 1.06 1oh5A1 LEU 406 HD23 0.08 -0.00 -0.03 -0.04 0.89 0.90 1oh5A1 LEU 407 H 0.08 0.59 -0.00 -0.55 8.37 8.49 1oh5A1 LEU 407 HA -0.06 -0.02 0.50 -0.75 4.35 4.03 1oh5A1 LEU 407 HB2 0.05 0.09 0.13 -0.04 1.64 1.88 1oh5A1 LEU 407 HB3 -0.01 -0.02 0.10 -0.04 1.64 1.67 1oh5A1 LEU 407 HG 0.11 0.18 0.11 -0.04 1.64 2.00 1oh5A1 LEU 407 HD13 0.01 0.03 -0.03 -0.04 0.93 0.90 1oh5A1 LEU 407 HD23 -0.02 -0.03 -0.05 -0.04 0.89 0.76 1oh5A1 GLU 408 H 0.04 0.36 -0.30 -0.55 8.60 8.16 1oh5A1 GLU 408 HA 0.02 0.12 0.53 -0.75 4.29 4.20 1oh5A1 GLU 408 HB2 0.05 0.01 0.08 -0.04 2.09 2.18 1oh5A1 GLU 408 HB3 0.04 -0.05 -0.06 -0.04 1.99 1.88 1oh5A1 GLU 408 HG2 0.04 -0.02 -0.00 -0.04 2.34 2.32 1oh5A1 GLU 408 HG3 0.06 0.08 -0.03 -0.04 2.34 2.40 1oh5A1 ARG 409 H 0.02 0.23 -0.42 -0.55 8.46 7.74 1oh5A1 ARG 409 HA 0.04 0.12 0.66 -0.75 4.34 4.41 1oh5A1 ARG 409 HB2 0.11 0.16 0.13 -0.04 1.90 2.26 1oh5A1 ARG 409 HB3 0.20 -0.10 0.02 -0.04 1.80 1.87 1oh5A1 ARG 409 HG2 0.07 -0.05 -0.02 -0.04 1.67 1.63 1oh5A1 ARG 409 HG3 0.06 0.06 -0.01 -0.04 1.67 1.73 1oh5A1 ARG 409 HD2 0.10 -0.05 -0.01 -0.04 3.22 3.22 1oh5A1 ARG 409 HD3 0.06 -0.08 -0.01 -0.04 3.22 3.15 1oh5A1 ALA 410 H -0.12 0.11 -0.28 -0.55 8.40 7.56 1oh5A1 ALA 410 HA -0.74 0.02 0.70 -0.75 4.34 3.57 1oh5A1 ALA 410 HB3 -0.60 -0.02 0.05 -0.04 1.41 0.80 1oh5A1 ILE 411 H -0.10 0.37 0.07 -0.55 8.25 8.04 1oh5A1 ILE 411 HA -0.05 0.15 0.86 -0.75 4.18 4.39 1oh5A1 ILE 411 HB -0.03 0.14 0.03 -0.04 1.89 1.99 1oh5A1 ILE 411 HG12 -0.08 -0.03 0.01 -0.04 1.49 1.35 1oh5A1 ILE 411 HG13 -0.01 -0.02 -0.05 -0.04 1.21 1.09 1oh5A1 ILE 411 HG23 0.01 0.03 0.02 -0.04 0.93 0.95 1oh5A1 ILE 411 HD13 -0.04 -0.01 -0.30 -0.04 0.88 0.49 1oh5A1 ILE 412 H -0.01 0.31 0.12 -0.55 8.25 8.12 1oh5A1 ILE 412 HA -0.00 0.14 0.62 -0.75 4.18 4.18 1oh5A1 ILE 412 HB -0.00 -0.16 0.07 -0.04 1.89 1.76 1oh5A1 ILE 412 HG12 -0.01 0.27 0.08 -0.04 1.49 1.80 1oh5A1 ILE 412 HG13 -0.01 -0.09 -0.30 -0.04 1.21 0.77 1oh5A1 ILE 412 HG23 0.00 0.03 -0.14 -0.04 0.93 0.79 1oh5A1 ILE 412 HD13 -0.01 -0.02 -0.06 -0.04 0.88 0.75 1oh5A1 ASP 413 H -0.00 0.07 0.09 -0.55 8.40 8.01 1oh5A1 ASP 413 HA -0.01 0.12 0.19 -0.75 4.63 4.18 1oh5A1 ASP 413 HB2 -0.01 -0.05 0.09 -0.04 2.71 2.70 1oh5A1 ASP 413 HB3 -0.01 0.03 0.05 -0.04 2.70 2.73 1oh5A1 THR 414 H -0.01 0.02 -0.21 -0.55 8.28 7.53 1oh5A1 THR 414 HA -0.03 0.23 0.79 -0.75 4.39 4.63 1oh5A1 THR 414 HB -0.02 0.03 0.05 -0.04 4.32 4.34 1oh5A1 THR 414 HG23 -0.03 -0.01 -0.18 -0.04 1.22 0.96 1oh5A1 PRO 415 HA -0.02 0.15 0.50 -0.51 4.44 4.56 1oh5A1 PRO 415 HB2 -0.01 0.05 -0.06 -0.04 2.28 2.22 1oh5A1 PRO 415 HB3 -0.01 0.00 0.08 -0.04 2.02 2.06 1oh5A1 PRO 415 HG2 -0.01 -0.08 -0.24 -0.04 2.03 1.67 1oh5A1 PRO 415 HG3 0.00 0.07 -0.10 -0.04 2.03 1.96 1oh5A1 PRO 415 HD2 -0.02 0.06 0.07 -0.04 3.68 3.75 1oh5A1 PRO 415 HD3 -0.02 0.45 -0.24 -0.04 3.65 3.80 1oh5A1 PRO 416 HA -0.02 0.08 0.52 -0.51 4.44 4.50 1oh5A1 PRO 416 HB2 -0.04 0.09 0.03 -0.04 2.28 2.31 1oh5A1 PRO 416 HB3 -0.03 -0.05 0.14 -0.04 2.02 2.04 1oh5A1 PRO 416 HG2 -0.04 0.23 0.05 -0.04 2.03 2.24 1oh5A1 PRO 416 HG3 -0.02 0.02 0.07 -0.04 2.03 2.06 1oh5A1 PRO 416 HD2 -0.04 0.03 0.05 -0.04 3.68 3.68 1oh5A1 PRO 416 HD3 -0.02 0.26 0.19 -0.04 3.65 4.04 1oh5A1 VAL 417 H -0.03 0.11 0.16 -0.55 8.24 7.94 1oh5A1 VAL 417 HA -0.02 0.07 0.39 -0.75 4.13 3.82 1oh5A1 VAL 417 HB -0.02 -0.04 0.13 -0.04 2.12 2.15 1oh5A1 VAL 417 HG13 -0.02 -0.00 -0.01 -0.04 0.97 0.90 1oh5A1 VAL 417 HG23 -0.02 0.02 0.08 -0.04 0.95 0.99 1oh5A1 LEU 418 H -0.04 0.09 -0.05 -0.55 8.37 7.82 1oh5A1 LEU 418 HA -0.07 0.24 0.96 -0.75 4.35 4.72 1oh5A1 LEU 418 HB2 -0.04 -0.08 0.00 -0.04 1.64 1.48 1oh5A1 LEU 418 HB3 -0.04 0.02 0.16 -0.04 1.64 1.74 1oh5A1 LEU 418 HG -0.03 -0.08 -0.04 -0.04 1.64 1.45 1oh5A1 LEU 418 HD13 -0.01 0.02 0.01 -0.04 0.93 0.91 1oh5A1 LEU 418 HD23 -0.01 0.05 -0.12 -0.04 0.89 0.77 1oh5A1 VAL 419 H -0.18 0.23 0.18 -0.55 8.24 7.92 1oh5A1 VAL 419 HA -0.18 0.22 0.84 -0.75 4.13 4.26 1oh5A1 VAL 419 HB -0.23 0.00 0.05 -0.04 2.12 1.90 1oh5A1 VAL 419 HG13 -0.85 0.00 0.02 -0.04 0.97 0.10 1oh5A1 VAL 419 HG23 -0.28 0.03 0.03 -0.04 0.95 0.69 1oh5A1 ARG 420 H -0.06 0.04 -0.03 -0.55 8.46 7.86 1oh5A1 ARG 420 HA -0.01 0.09 0.37 -0.75 4.34 4.03 1oh5A1 ARG 420 HB2 0.00 -0.01 0.12 -0.04 1.90 1.97 1oh5A1 ARG 420 HB3 -0.01 -0.02 -0.01 -0.04 1.80 1.72 1oh5A1 ARG 420 HG2 0.04 0.04 -0.03 -0.04 1.67 1.68 1oh5A1 ARG 420 HG3 0.08 0.02 0.05 -0.04 1.67 1.78 1oh5A1 ARG 420 HD2 0.01 -0.00 -0.06 -0.04 3.22 3.13 1oh5A1 ARG 420 HD3 0.11 -0.00 -0.03 -0.04 3.22 3.26 1oh5A1 ASP 421 H -0.04 0.06 -0.60 -0.55 8.40 7.27 1oh5A1 ASP 421 HA -0.02 0.18 0.73 -0.75 4.63 4.76 1oh5A1 ASP 421 HB2 -0.03 -0.01 -0.03 -0.04 2.71 2.60 1oh5A1 ASP 421 HB3 -0.02 0.02 0.08 -0.04 2.70 2.74 1oh5A1 GLY 422 H -0.06 0.37 -0.09 -0.55 8.43 8.10 1oh5A1 GLY 422 HA2 -0.05 -0.00 0.36 -0.51 4.01 3.82 1oh5A1 GLY 422 HA3 -0.03 0.09 0.52 -0.51 4.01 4.08 1oh5A1 GLY 423 H -0.01 0.13 0.18 -0.55 8.43 8.18 1oh5A1 GLY 423 HA2 -0.01 0.03 0.33 -0.51 4.01 3.86 1oh5A1 GLY 423 HA3 -0.02 0.09 0.37 -0.51 4.01 3.95 1oh5A1 VAL 424 H -0.03 -0.11 -0.29 -0.55 8.24 7.26 1oh5A1 VAL 424 HA -0.02 0.17 0.68 -0.75 4.13 4.20 1oh5A1 VAL 424 HB -0.06 -0.13 0.10 -0.04 2.12 1.99 1oh5A1 VAL 424 HG13 0.03 0.01 -0.13 -0.04 0.97 0.83 1oh5A1 VAL 424 HG23 -0.12 0.04 -0.10 -0.04 0.95 0.73 1oh5A1 ILE 425 H 0.01 -0.08 0.10 -0.55 8.25 7.74 1oh5A1 ILE 425 HA -0.02 0.40 0.55 -0.75 4.18 4.35 1oh5A1 ILE 425 HB 0.06 -0.11 0.09 -0.04 1.89 1.89 1oh5A1 ILE 425 HG12 0.06 -0.12 0.10 -0.04 1.49 1.49 1oh5A1 ILE 425 HG13 0.09 -0.01 0.07 -0.04 1.21 1.32 1oh5A1 ILE 425 HG23 0.11 0.05 0.07 -0.04 0.93 1.12 1oh5A1 ILE 425 HD13 0.01 0.02 -0.09 -0.04 0.88 0.78 1oh5A1 ALA 426 H 0.01 0.35 0.18 -0.55 8.40 8.39 1oh5A1 ALA 426 HA 0.03 0.16 0.66 -0.75 4.34 4.43 1oh5A1 ALA 426 HB3 0.01 0.04 -0.27 -0.04 1.41 1.14 1oh5A1 SER 427 H 0.04 0.18 0.09 -0.55 8.46 8.22 1oh5A1 SER 427 HA 0.05 -0.02 0.42 -0.75 4.49 4.19 1oh5A1 SER 427 HB2 0.03 0.04 0.17 -0.04 3.95 4.15 1oh5A1 SER 427 HB3 0.03 0.01 0.01 -0.04 3.93 3.94 1oh5A1 GLY 428 H 0.07 0.08 0.14 -0.55 8.43 8.17 1oh5A1 GLY 428 HA2 0.04 -0.04 0.29 -0.51 4.01 3.78 1oh5A1 GLY 428 HA3 0.06 0.26 0.76 -0.51 4.01 4.58 1oh5A1 TYR 429 H 0.18 0.36 -0.04 -0.55 8.29 8.24 1oh5A1 TYR 429 HA 0.01 0.10 0.26 -0.75 4.56 4.18 1oh5A1 TYR 429 HB2 0.02 0.33 0.21 -0.04 3.06 3.57 1oh5A1 TYR 429 HB3 0.02 -0.09 0.19 -0.04 2.98 3.05 1oh5A1 TYR 429 HD2 0.02 -0.01 -0.08 -0.04 7.15 7.04 1oh5A1 TYR 429 HE2 0.01 -0.00 -0.02 -0.04 6.85 6.79 1oh5A1 ASN 430 H 0.10 0.15 0.01 -0.55 8.53 8.24 1oh5A1 ASN 430 HA -0.11 0.22 0.88 -0.75 4.76 5.00 1oh5A1 ASN 430 HB2 -0.01 0.15 -0.05 -0.04 2.88 2.93 1oh5A1 ASN 430 HB3 0.07 -0.07 0.11 -0.04 2.79 2.86 1oh5A1 ASN 430 HD21 -0.00 0.01 0.03 -0.04 7.03 7.03 1oh5A1 ASN 430 HD22 -0.05 0.12 0.03 -0.04 7.74 7.80 1oh5A1 GLU 431 H -0.04 0.26 0.12 -0.55 8.60 8.40 1oh5A1 GLU 431 HA -0.01 0.10 0.32 -0.75 4.29 3.95 1oh5A1 GLU 431 HB2 -0.04 0.04 0.05 -0.04 2.09 2.10 1oh5A1 GLU 431 HB3 -0.03 0.12 0.09 -0.04 1.99 2.12 1oh5A1 GLU 431 HG2 -0.04 -0.14 0.12 -0.04 2.34 2.24 1oh5A1 GLU 431 HG3 -0.05 0.02 -0.13 -0.04 2.34 2.14 1oh5A1 GLU 432 H -0.01 0.13 -0.02 -0.55 8.60 8.16 1oh5A1 GLU 432 HA -0.12 0.11 0.52 -0.75 4.29 4.05 1oh5A1 GLU 432 HB2 0.01 0.03 0.11 -0.04 2.09 2.19 1oh5A1 GLU 432 HB3 0.09 0.01 0.00 -0.04 1.99 2.05 1oh5A1 GLU 432 HG2 0.14 -0.01 -0.05 -0.04 2.34 2.37 1oh5A1 GLU 432 HG3 -0.03 0.02 0.04 -0.04 2.34 2.33 1oh5A1 LEU 433 H 0.07 0.11 -0.43 -0.55 8.37 7.57 1oh5A1 LEU 433 HA 0.26 0.07 0.40 -0.75 4.35 4.32 1oh5A1 LEU 433 HB2 0.12 -0.02 0.02 -0.04 1.64 1.73 1oh5A1 LEU 433 HB3 0.10 0.20 0.10 -0.04 1.64 1.99 1oh5A1 LEU 433 HG 0.10 -0.00 -0.21 -0.04 1.64 1.48 1oh5A1 LEU 433 HD13 0.11 -0.03 0.07 -0.04 0.93 1.03 1oh5A1 LEU 433 HD23 0.10 0.01 -0.05 -0.04 0.89 0.92 1oh5A1 ASP 434 H 0.04 0.31 -0.17 -0.55 8.40 8.03 1oh5A1 ASP 434 HA 0.05 0.06 0.48 -0.75 4.63 4.47 1oh5A1 ASP 434 HB2 -0.00 0.11 0.11 -0.04 2.71 2.88 1oh5A1 ASP 434 HB3 0.01 0.02 -0.00 -0.04 2.70 2.69 1oh5A1 GLU 435 H -0.07 0.42 -0.17 -0.55 8.60 8.24 1oh5A1 GLU 435 HA -0.11 0.05 0.47 -0.75 4.29 3.95 1oh5A1 GLU 435 HB2 -0.36 0.18 0.19 -0.04 2.09 2.05 1oh5A1 GLU 435 HB3 -0.47 -0.03 -0.03 -0.04 1.99 1.42 1oh5A1 GLU 435 HG2 -0.17 -0.01 0.04 -0.04 2.34 2.15 1oh5A1 GLU 435 HG3 -0.14 0.10 0.06 -0.04 2.34 2.33 1oh5A1 TRP 436 H 0.09 0.33 -0.33 -0.55 7.97 7.51 1oh5A1 TRP 436 HA -0.02 0.05 0.34 -0.75 4.62 4.23 1oh5A1 TRP 436 HB2 -0.01 0.08 0.17 -0.04 3.23 3.43 1oh5A1 TRP 436 HB3 -0.02 0.03 -0.00 -0.04 3.23 3.20 1oh5A1 TRP 436 HD1 -0.01 -0.04 -0.19 -0.04 7.22 6.95 1oh5A1 TRP 436 HE1 -0.01 -0.03 -0.06 -0.04 10.20 10.06 1oh5A1 TRP 436 HE3 -0.04 -0.04 0.11 -0.04 7.59 7.58 1oh5A1 TRP 436 HZ2 -0.02 -0.00 -0.02 -0.04 7.44 7.36 1oh5A1 TRP 436 HZ3 -0.04 -0.00 0.01 -0.04 7.13 7.06 1oh5A1 TRP 436 HH2 -0.03 0.00 -0.02 -0.04 7.19 7.10 1oh5A1 ARG 437 H 0.18 0.61 0.06 -0.55 8.46 8.75 1oh5A1 ARG 437 HA 0.09 0.05 0.53 -0.75 4.34 4.25 1oh5A1 ARG 437 HB2 0.07 0.08 0.15 -0.04 1.90 2.16 1oh5A1 ARG 437 HB3 0.05 -0.00 -0.06 -0.04 1.80 1.75 1oh5A1 ARG 437 HG2 0.05 -0.03 0.05 -0.04 1.67 1.70 1oh5A1 ARG 437 HG3 0.08 0.05 0.04 -0.04 1.67 1.79 1oh5A1 ARG 437 HD2 0.04 0.00 -0.03 -0.04 3.22 3.19 1oh5A1 ARG 437 HD3 0.03 -0.02 -0.00 -0.04 3.22 3.19 1oh5A1 ALA 438 H 0.05 0.41 -0.48 -0.55 8.40 7.84 1oh5A1 ALA 438 HA 0.03 0.03 0.26 -0.75 4.34 3.91 1oh5A1 ALA 438 HB3 -0.00 0.02 0.08 -0.04 1.41 1.47 1oh5A1 LEU 439 H 0.07 0.26 -0.41 -0.55 8.37 7.74 1oh5A1 LEU 439 HA 0.01 0.13 0.83 -0.75 4.35 4.57 1oh5A1 LEU 439 HB2 0.15 0.11 0.20 -0.04 1.64 2.06 1oh5A1 LEU 439 HB3 0.06 -0.03 0.00 -0.04 1.64 1.64 1oh5A1 LEU 439 HG 0.01 -0.05 0.05 -0.04 1.64 1.60 1oh5A1 LEU 439 HD13 -0.04 0.01 -0.03 -0.04 0.93 0.83 1oh5A1 LEU 439 HD23 -0.09 0.03 -0.01 -0.04 0.89 0.79 1oh5A1 ALA 440 H 0.08 0.50 -0.00 -0.55 8.40 8.42 1oh5A1 ALA 440 HA -0.05 0.05 0.69 -0.75 4.34 4.28 1oh5A1 ALA 440 HB3 -0.00 0.01 0.13 -0.04 1.41 1.50 1oh5A1 ASP 441 H 0.03 0.11 -0.62 -0.55 8.40 7.38 1oh5A1 ASP 441 HA 0.03 0.06 0.73 -0.75 4.63 4.71 1oh5A1 ASP 441 HB2 0.03 0.28 -0.04 -0.04 2.71 2.94 1oh5A1 ASP 441 HB3 0.03 0.01 0.03 -0.04 2.70 2.73 1oh5A1 GLY 442 H 0.04 0.33 -0.47 -0.55 8.43 7.78 1oh5A1 GLY 442 HA2 0.08 0.14 0.60 -0.51 4.01 4.32 1oh5A1 GLY 442 HA3 0.13 0.02 0.36 -0.51 4.01 4.01 1oh5A1 ALA 443 H 0.07 0.00 -0.87 -0.55 8.40 7.06 1oh5A1 ALA 443 HA 0.09 -0.06 0.54 -0.75 4.34 4.16 1oh5A1 ALA 443 HB3 0.05 0.02 0.05 -0.04 1.41 1.49 1oh5A1 THR 444 H 0.04 0.11 0.06 -0.55 8.28 7.93 1oh5A1 THR 444 HA 0.02 -0.01 0.29 -0.75 4.39 3.93 1oh5A1 THR 444 HB 0.03 0.18 0.15 -0.04 4.32 4.64 1oh5A1 THR 444 HG23 0.01 -0.01 0.11 -0.04 1.22 1.30 1oh5A1 ASP 445 H 0.04 -0.15 -0.78 -0.55 8.40 6.96 1oh5A1 ASP 445 HA 0.03 0.14 0.73 -0.75 4.63 4.78 1oh5A1 ASP 445 HB2 0.06 0.41 -0.31 -0.04 2.71 2.83 1oh5A1 ASP 445 HB3 0.12 0.07 0.20 -0.04 2.70 3.05 1oh5A1 TYR 446 H 0.17 0.52 0.22 -0.55 8.29 8.65 1oh5A1 TYR 446 HA -0.10 0.03 0.08 -0.75 4.56 3.82 1oh5A1 TYR 446 HB2 -0.05 0.09 0.20 -0.04 3.06 3.26 1oh5A1 TYR 446 HB3 -0.47 0.01 0.18 -0.04 2.98 2.66 1oh5A1 TYR 446 HD2 -0.57 0.01 -0.08 -0.04 7.15 6.47 1oh5A1 TYR 446 HE2 -0.21 -0.01 -0.05 -0.04 6.85 6.53 1oh5A1 LEU 447 H -0.01 0.18 0.02 -0.55 8.37 8.02 1oh5A1 LEU 447 HA -0.17 0.04 0.33 -0.75 4.35 3.81 1oh5A1 LEU 447 HB2 0.02 -0.02 0.07 -0.04 1.64 1.67 1oh5A1 LEU 447 HB3 0.02 0.06 0.01 -0.04 1.64 1.69 1oh5A1 LEU 447 HG 0.01 0.00 0.04 -0.04 1.64 1.65 1oh5A1 LEU 447 HD13 0.26 0.01 -0.04 -0.04 0.93 1.12 1oh5A1 LEU 447 HD23 -0.04 0.00 -0.05 -0.04 0.89 0.77 1oh5A1 GLU 448 H -0.05 0.24 -0.12 -0.55 8.60 8.13 1oh5A1 GLU 448 HA -0.04 0.08 0.45 -0.75 4.29 4.02 1oh5A1 GLU 448 HB2 -0.01 -0.05 0.08 -0.04 2.09 2.07 1oh5A1 GLU 448 HB3 -0.03 0.08 0.07 -0.04 1.99 2.06 1oh5A1 GLU 448 HG2 -0.02 -0.03 -0.01 -0.04 2.34 2.25 1oh5A1 GLU 448 HG3 -0.01 0.00 0.04 -0.04 2.34 2.33 1oh5A1 ARG 449 H -0.11 0.33 -0.08 -0.55 8.46 8.06 1oh5A1 ARG 449 HA -0.08 0.03 0.37 -0.75 4.34 3.91 1oh5A1 ARG 449 HB2 -0.15 0.05 0.03 -0.04 1.90 1.79 1oh5A1 ARG 449 HB3 -0.10 -0.01 -0.02 -0.04 1.80 1.62 1oh5A1 ARG 449 HG2 -0.05 -0.00 0.02 -0.04 1.67 1.60 1oh5A1 ARG 449 HG3 -0.05 -0.00 0.01 -0.04 1.67 1.58 1oh5A1 ARG 449 HD2 -0.04 -0.01 -0.02 -0.04 3.22 3.12 1oh5A1 ARG 449 HD3 -0.02 0.04 -0.01 -0.04 3.22 3.20 1oh5A1 LEU 450 H -0.34 0.59 -0.14 -0.55 8.37 7.94 1oh5A1 LEU 450 HA -0.24 -0.00 0.40 -0.75 4.35 3.75 1oh5A1 LEU 450 HB2 -0.83 -0.00 0.05 -0.04 1.64 0.82 1oh5A1 LEU 450 HB3 -0.37 0.10 0.07 -0.04 1.64 1.40 1oh5A1 LEU 450 HG -0.12 0.02 -0.34 -0.04 1.64 1.16 1oh5A1 LEU 450 HD13 -0.13 -0.02 -0.02 -0.04 0.93 0.72 1oh5A1 LEU 450 HD23 -0.09 -0.02 -0.09 -0.04 0.89 0.65 1oh5A1 GLU 451 H -0.12 0.44 -0.28 -0.55 8.60 8.09 1oh5A1 GLU 451 HA -0.03 -0.03 0.37 -0.75 4.29 3.85 1oh5A1 GLU 451 HB2 -0.04 0.11 0.25 -0.04 2.09 2.37 1oh5A1 GLU 451 HB3 -0.03 0.13 0.24 -0.04 1.99 2.28 1oh5A1 GLU 451 HG2 0.01 0.13 -0.02 -0.04 2.34 2.41 1oh5A1 GLU 451 HG3 0.01 -0.18 0.05 -0.04 2.34 2.18 1oh5A1 VAL 452 H -0.05 0.47 -0.01 -0.55 8.24 8.10 1oh5A1 VAL 452 HA -0.02 0.04 0.33 -0.75 4.13 3.73 1oh5A1 VAL 452 HB -0.04 0.02 0.20 -0.04 2.12 2.26 1oh5A1 VAL 452 HG13 -0.02 -0.01 -0.08 -0.04 0.97 0.83 1oh5A1 VAL 452 HG23 -0.02 0.05 0.05 -0.04 0.95 0.99 1oh5A1 ARG 453 H -0.05 0.57 0.02 -0.55 8.46 8.45 1oh5A1 ARG 453 HA -0.02 -0.03 0.35 -0.75 4.34 3.88 1oh5A1 ARG 453 HB2 -0.07 0.13 0.15 -0.04 1.90 2.07 1oh5A1 ARG 453 HB3 -0.03 -0.05 -0.04 -0.04 1.80 1.63 1oh5A1 ARG 453 HG2 -0.04 -0.05 0.06 -0.04 1.67 1.61 1oh5A1 ARG 453 HG3 -0.07 0.11 0.05 -0.04 1.67 1.72 1oh5A1 ARG 453 HD2 -0.03 -0.01 -0.01 -0.04 3.22 3.13 1oh5A1 ARG 453 HD3 -0.05 -0.02 -0.03 -0.04 3.22 3.08 1oh5A1 GLU 454 H -0.02 0.57 -0.28 -0.55 8.60 8.33 1oh5A1 GLU 454 HA 0.03 -0.01 0.47 -0.75 4.29 4.03 1oh5A1 GLU 454 HB2 0.03 0.16 0.13 -0.04 2.09 2.37 1oh5A1 GLU 454 HB3 0.14 -0.06 0.00 -0.04 1.99 2.03 1oh5A1 GLU 454 HG2 -0.00 0.08 0.02 -0.04 2.34 2.40 1oh5A1 GLU 454 HG3 0.07 -0.08 -0.03 -0.04 2.34 2.26 1oh5A1 ARG 455 H 0.01 0.73 0.07 -0.55 8.46 8.72 1oh5A1 ARG 455 HA 0.02 0.00 0.56 -0.75 4.34 4.17 1oh5A1 ARG 455 HB2 0.02 0.11 0.17 -0.04 1.90 2.16 1oh5A1 ARG 455 HB3 0.00 0.09 0.18 -0.04 1.80 2.03 1oh5A1 ARG 455 HG2 0.00 -0.07 -0.26 -0.04 1.67 1.30 1oh5A1 ARG 455 HG3 0.01 0.06 -0.04 -0.04 1.67 1.66 1oh5A1 ARG 455 HD2 0.01 -0.08 0.03 -0.04 3.22 3.14 1oh5A1 ARG 455 HD3 0.02 0.19 0.06 -0.04 3.22 3.44 1oh5A1 GLU 456 H -0.01 0.53 -0.20 -0.55 8.60 8.37 1oh5A1 GLU 456 HA -0.01 0.04 0.36 -0.75 4.29 3.92 1oh5A1 GLU 456 HB2 -0.01 -0.03 0.00 -0.04 2.09 2.01 1oh5A1 GLU 456 HB3 -0.01 0.06 0.04 -0.04 1.99 2.04 1oh5A1 GLU 456 HG2 -0.01 0.01 -0.17 -0.04 2.34 2.12 1oh5A1 GLU 456 HG3 -0.01 -0.01 0.02 -0.04 2.34 2.30 1oh5A1 ARG 457 H -0.01 0.49 -0.00 -0.55 8.46 8.38 1oh5A1 ARG 457 HA -0.02 0.05 0.54 -0.75 4.34 4.15 1oh5A1 ARG 457 HB2 -0.01 -0.03 0.14 -0.04 1.90 1.96 1oh5A1 ARG 457 HB3 -0.00 0.05 0.21 -0.04 1.80 2.02 1oh5A1 ARG 457 HG2 -0.02 0.02 -0.20 -0.04 1.67 1.42 1oh5A1 ARG 457 HG3 -0.02 -0.02 0.03 -0.04 1.67 1.62 1oh5A1 ARG 457 HD2 -0.00 -0.04 -0.01 -0.04 3.22 3.13 1oh5A1 ARG 457 HD3 0.00 -0.00 -0.01 -0.04 3.22 3.17 1oh5A1 THR 458 H -0.02 0.44 -0.11 -0.55 8.28 8.04 1oh5A1 THR 458 HA -0.08 0.07 0.50 -0.75 4.39 4.13 1oh5A1 THR 458 HB -0.11 -0.03 0.02 -0.04 4.32 4.15 1oh5A1 THR 458 HG23 -0.12 -0.02 0.08 -0.04 1.22 1.12 1oh5A1 GLY 459 H -0.02 0.33 -0.26 -0.55 8.43 7.93 1oh5A1 GLY 459 HA2 -0.02 0.03 0.27 -0.51 4.01 3.79 1oh5A1 GLY 459 HA3 -0.03 0.09 0.57 -0.51 4.01 4.13 1oh5A1 LEU 460 H -0.02 0.25 0.00 -0.55 8.37 8.06 1oh5A1 LEU 460 HA -0.01 0.13 0.86 -0.75 4.35 4.57 1oh5A1 LEU 460 HB2 -0.02 0.00 0.12 -0.04 1.64 1.71 1oh5A1 LEU 460 HB3 -0.01 -0.12 0.00 -0.04 1.64 1.47 1oh5A1 LEU 460 HG -0.07 0.07 -0.43 -0.04 1.64 1.17 1oh5A1 LEU 460 HD13 -0.11 0.01 -0.18 -0.04 0.93 0.61 1oh5A1 LEU 460 HD23 -0.06 0.05 -0.17 -0.04 0.89 0.67 1oh5A1 ASP 461 H 0.00 0.22 0.12 -0.55 8.40 8.19 1oh5A1 ASP 461 HA 0.01 0.14 0.20 -0.75 4.63 4.23 1oh5A1 ASP 461 HB2 0.01 0.02 0.07 -0.04 2.71 2.77 1oh5A1 ASP 461 HB3 0.01 0.06 0.06 -0.04 2.70 2.78 1oh5A1 THR 462 H 0.02 0.03 -0.23 -0.55 8.28 7.55 1oh5A1 THR 462 HA 0.03 0.14 0.51 -0.75 4.39 4.32 1oh5A1 THR 462 HB 0.04 -0.01 0.16 -0.04 4.32 4.47 1oh5A1 THR 462 HG23 0.03 -0.00 0.03 -0.04 1.22 1.23 1oh5A1 LEU 463 H 0.04 0.28 -0.45 -0.55 8.37 7.69 1oh5A1 LEU 463 HA 0.09 0.39 0.54 -0.75 4.35 4.61 1oh5A1 LEU 463 HB2 0.05 0.03 0.15 -0.04 1.64 1.83 1oh5A1 LEU 463 HB3 0.04 -0.03 0.19 -0.04 1.64 1.81 1oh5A1 LEU 463 HG 0.13 0.08 -0.07 -0.04 1.64 1.75 1oh5A1 LEU 463 HD13 0.11 -0.01 -0.21 -0.04 0.93 0.78 1oh5A1 LEU 463 HD23 0.06 -0.02 -0.26 -0.04 0.89 0.63 1oh5A1 LYS 464 H 0.11 0.41 0.42 -0.55 8.42 8.80 1oh5A1 LYS 464 HA 0.05 0.16 0.86 -0.75 4.32 4.63 1oh5A1 LYS 464 HB2 0.10 -0.02 0.05 -0.04 1.87 1.96 1oh5A1 LYS 464 HB3 0.07 0.01 -0.02 -0.04 1.79 1.80 1oh5A1 LYS 464 HG2 0.04 0.12 -0.06 -0.04 1.46 1.52 1oh5A1 LYS 464 HG3 0.05 0.05 -0.19 -0.04 1.46 1.33 1oh5A1 LYS 464 HD2 0.04 -0.02 -0.04 -0.04 1.69 1.63 1oh5A1 LYS 464 HD3 0.05 -0.02 -0.03 -0.04 1.68 1.64 1oh5A1 LYS 464 HE2 0.03 -0.03 0.01 -0.04 2.99 2.95 1oh5A1 LYS 464 HE3 0.03 -0.01 0.05 -0.04 2.99 3.01 1oh5A1 VAL 465 H 0.02 0.21 0.21 -0.55 8.24 8.13 1oh5A1 VAL 465 HA -0.01 0.25 1.14 -0.75 4.13 4.75 1oh5A1 VAL 465 HB -0.02 0.00 0.22 -0.04 2.12 2.29 1oh5A1 VAL 465 HG13 0.01 -0.00 -0.04 -0.04 0.97 0.90 1oh5A1 VAL 465 HG23 -0.02 -0.01 -0.05 -0.04 0.95 0.83 1oh5A1 GLY 466 H -0.62 0.49 0.28 -0.55 8.43 8.04 1oh5A1 GLY 466 HA2 -0.16 0.16 0.74 -0.51 4.01 4.23 1oh5A1 GLY 466 HA3 -0.43 0.02 0.28 -0.51 4.01 3.38 1oh5A1 PHE 467 H -0.09 0.27 0.14 -0.55 8.34 8.11 1oh5A1 PHE 467 HA -0.41 0.22 0.68 -0.75 4.62 4.36 1oh5A1 PHE 467 HB2 -1.46 -0.00 -0.07 -0.04 3.15 1.58 1oh5A1 PHE 467 HB3 -0.44 -0.01 0.01 -0.04 3.06 2.59 1oh5A1 PHE 467 HD2 -0.63 -0.05 -0.21 -0.04 7.28 6.34 1oh5A1 PHE 467 HE2 -0.06 0.00 -0.13 -0.04 7.38 7.16 1oh5A1 PHE 467 HZ -0.04 0.06 -0.11 -0.04 7.32 7.19 1oh5A1 ASN 468 H -0.47 0.62 0.01 -0.55 8.53 8.15 1oh5A1 ASN 468 HA -0.26 0.18 0.83 -0.75 4.76 4.75 1oh5A1 ASN 468 HB2 -0.00 0.09 0.02 -0.04 2.88 2.94 1oh5A1 ASN 468 HB3 0.04 0.09 -0.02 -0.04 2.79 2.86 1oh5A1 ASN 468 HD21 0.00 0.05 -0.02 -0.04 7.03 7.03 1oh5A1 ASN 468 HD22 -0.06 0.06 0.07 -0.04 7.74 7.77 1oh5A1 ALA 469 H -0.21 0.21 0.10 -0.55 8.40 7.95 1oh5A1 ALA 469 HA -0.26 0.07 0.20 -0.75 4.34 3.60 1oh5A1 ALA 469 HB3 0.01 0.03 0.08 -0.04 1.41 1.49 1oh5A1 VAL 470 H -0.11 -0.06 -0.46 -0.55 8.24 7.06 1oh5A1 VAL 470 HA -0.12 0.19 0.53 -0.75 4.13 3.98 1oh5A1 VAL 470 HB 0.05 -0.06 0.04 -0.04 2.12 2.10 1oh5A1 VAL 470 HG13 -0.37 0.02 -0.10 -0.04 0.97 0.48 1oh5A1 VAL 470 HG23 -0.03 -0.01 -0.04 -0.04 0.95 0.83 1oh5A1 HIS 471 H 0.04 0.00 0.01 -0.55 8.41 7.92 1oh5A1 HIS 471 HA -0.03 0.21 0.76 -0.75 4.63 4.81 1oh5A1 HIS 471 HB2 -0.07 -0.03 -0.03 -0.04 3.26 3.09 1oh5A1 HIS 471 HB3 -0.04 0.05 -0.01 -0.04 3.20 3.16 1oh5A1 HIS 471 HD2 -0.05 0.15 0.02 -0.04 6.97 7.05 1oh5A1 HIS 471 HE1 -0.06 -0.01 -0.05 -0.04 7.75 7.59 1oh5A1 GLY 472 H -0.19 0.26 -0.09 -0.55 8.43 7.86 1oh5A1 GLY 472 HA2 -0.10 0.01 0.22 -0.51 4.01 3.63 1oh5A1 GLY 472 HA3 0.12 0.11 0.48 -0.51 4.01 4.21 1oh5A1 TYR 473 H 0.50 0.06 0.14 -0.55 8.29 8.45 1oh5A1 TYR 473 HA 0.14 0.11 0.72 -0.75 4.56 4.78 1oh5A1 TYR 473 HB2 0.20 -0.03 0.09 -0.04 3.06 3.28 1oh5A1 TYR 473 HB3 0.13 -0.00 0.01 -0.04 2.98 3.08 1oh5A1 TYR 473 HD2 0.19 0.02 0.02 -0.04 7.15 7.34 1oh5A1 TYR 473 HE2 -0.03 0.01 -0.05 -0.04 6.85 6.74 1oh5A1 TYR 474 H -0.09 0.53 0.40 -0.55 8.29 8.57 1oh5A1 TYR 474 HA 0.09 0.20 0.72 -0.75 4.56 4.82 1oh5A1 TYR 474 HB2 0.02 -0.07 -0.01 -0.04 3.06 2.96 1oh5A1 TYR 474 HB3 0.02 0.17 -0.40 -0.04 2.98 2.73 1oh5A1 TYR 474 HD2 -0.01 0.11 -0.45 -0.04 7.15 6.75 1oh5A1 TYR 474 HE2 -0.03 0.00 -0.31 -0.04 6.85 6.47 1oh5A1 ILE 475 H 0.20 0.78 0.40 -0.55 8.25 9.08 1oh5A1 ILE 475 HA 0.15 0.20 1.04 -0.75 4.18 4.82 1oh5A1 ILE 475 HB -0.03 -0.05 0.09 -0.04 1.89 1.86 1oh5A1 ILE 475 HG12 0.00 0.06 -0.03 -0.04 1.49 1.47 1oh5A1 ILE 475 HG13 -0.01 -0.08 -0.15 -0.04 1.21 0.93 1oh5A1 ILE 475 HG23 0.20 0.01 -0.22 -0.04 0.93 0.89 1oh5A1 ILE 475 HD13 -0.30 -0.02 -0.11 -0.04 0.88 0.42 1oh5A1 GLN 476 H 0.25 0.82 0.37 -0.55 8.47 9.36 1oh5A1 GLN 476 HA 0.18 0.25 1.00 -0.75 4.36 5.04 1oh5A1 GLN 476 HB2 0.38 -0.06 -0.05 -0.04 2.15 2.38 1oh5A1 GLN 476 HB3 0.19 -0.04 0.12 -0.04 2.02 2.26 1oh5A1 GLN 476 HG2 0.06 0.03 -0.19 -0.04 2.40 2.25 1oh5A1 GLN 476 HG3 -0.05 -0.01 -0.15 -0.04 2.39 2.14 1oh5A1 GLN 476 HE21 0.07 -0.01 -0.09 -0.04 6.97 6.90 1oh5A1 GLN 476 HE22 0.09 0.07 -0.10 -0.04 7.69 7.71 1oh5A1 ILE 477 H 0.20 0.71 0.40 -0.55 8.25 9.00 1oh5A1 ILE 477 HA 0.11 0.11 0.55 -0.75 4.18 4.20 1oh5A1 ILE 477 HB 0.22 0.02 0.03 -0.04 1.89 2.12 1oh5A1 ILE 477 HG12 0.10 0.03 -0.10 -0.04 1.49 1.47 1oh5A1 ILE 477 HG13 0.23 -0.05 -0.55 -0.04 1.21 0.79 1oh5A1 ILE 477 HG23 0.06 0.03 -0.19 -0.04 0.93 0.79 1oh5A1 ILE 477 HD13 -0.05 0.01 -0.10 -0.04 0.88 0.70 1oh5A1 SER 478 H 0.06 0.08 0.07 -0.55 8.46 8.12 1oh5A1 SER 478 HA 0.04 0.19 0.61 -0.75 4.49 4.58 1oh5A1 SER 478 HB2 0.03 0.07 0.20 -0.04 3.95 4.21 1oh5A1 SER 478 HB3 0.04 0.07 0.16 -0.04 3.93 4.16 1oh5A1 ARG 479 H 0.03 0.51 0.36 -0.55 8.46 8.80 1oh5A1 ARG 479 HA 0.05 0.08 0.23 -0.75 4.34 3.95 1oh5A1 ARG 479 HB2 0.01 0.05 -0.08 -0.04 1.90 1.83 1oh5A1 ARG 479 HB3 0.01 -0.05 0.16 -0.04 1.80 1.88 1oh5A1 ARG 479 HG2 0.00 -0.03 -0.10 -0.04 1.67 1.50 1oh5A1 ARG 479 HG3 0.01 -0.02 0.00 -0.04 1.67 1.63 1oh5A1 ARG 479 HD2 -0.01 0.20 0.16 -0.04 3.22 3.53 1oh5A1 ARG 479 HD3 -0.01 -0.06 0.03 -0.04 3.22 3.14 1oh5A1 GLY 480 H 0.03 0.06 -0.06 -0.55 8.43 7.91 1oh5A1 GLY 480 HA2 0.01 0.14 0.46 -0.51 4.01 4.11 1oh5A1 GLY 480 HA3 0.03 0.03 0.27 -0.51 4.01 3.83 1oh5A1 GLN 481 H 0.08 0.10 -0.44 -0.55 8.47 7.67 1oh5A1 GLN 481 HA 0.11 0.25 0.83 -0.75 4.36 4.80 1oh5A1 GLN 481 HB2 0.05 -0.08 0.01 -0.04 2.15 2.10 1oh5A1 GLN 481 HB3 0.02 0.03 0.02 -0.04 2.02 2.05 1oh5A1 GLN 481 HG2 0.03 0.14 -0.01 -0.04 2.40 2.52 1oh5A1 GLN 481 HG3 0.04 -0.06 -0.13 -0.04 2.39 2.20 1oh5A1 GLN 481 HE21 0.01 -0.18 0.09 -0.04 6.97 6.86 1oh5A1 GLN 481 HE22 0.02 0.11 0.02 -0.04 7.69 7.79 1oh5A1 SER 482 H 0.13 0.27 -0.24 -0.55 8.46 8.07 1oh5A1 SER 482 HA 0.09 0.00 0.14 -0.75 4.49 3.97 1oh5A1 SER 482 HB2 0.25 -0.03 0.02 -0.04 3.95 4.15 1oh5A1 SER 482 HB3 0.16 0.11 -0.06 -0.04 3.93 4.09 1oh5A1 HIS 483 H 0.37 0.16 -0.41 -0.55 8.41 7.98 1oh5A1 HIS 483 HA 0.02 0.13 0.60 -0.75 4.63 4.62 1oh5A1 HIS 483 HB2 0.01 -0.00 0.12 -0.04 3.26 3.35 1oh5A1 HIS 483 HB3 0.01 -0.01 0.04 -0.04 3.20 3.20 1oh5A1 HIS 483 HD2 -0.00 -0.03 -0.03 -0.04 6.97 6.87 1oh5A1 HIS 483 HE1 -0.00 0.08 0.02 -0.04 7.75 7.80 1oh5A1 LEU 484 H -0.15 0.26 -0.48 -0.55 8.37 7.45 1oh5A1 LEU 484 HA -0.26 0.17 0.83 -0.75 4.35 4.34 1oh5A1 LEU 484 HB2 -0.20 0.20 0.06 -0.04 1.64 1.65 1oh5A1 LEU 484 HB3 -0.19 -0.01 0.04 -0.04 1.64 1.45 1oh5A1 LEU 484 HG -0.89 -0.04 -0.30 -0.04 1.64 0.37 1oh5A1 LEU 484 HD13 -0.14 -0.01 0.00 -0.04 0.93 0.74 1oh5A1 LEU 484 HD23 -0.18 0.00 0.02 -0.04 0.89 0.69 1oh5A1 ALA 485 H -0.16 0.18 -0.14 -0.55 8.40 7.73 1oh5A1 ALA 485 HA -0.37 0.02 0.26 -0.75 4.34 3.50 1oh5A1 ALA 485 HB3 -0.48 -0.01 0.03 -0.04 1.41 0.91 1oh5A1 PRO 486 HA -0.20 0.08 0.42 -0.51 4.44 4.23 1oh5A1 PRO 486 HB2 -0.33 -0.12 0.06 -0.04 2.28 1.85 1oh5A1 PRO 486 HB3 -0.17 0.03 0.13 -0.04 2.02 1.97 1oh5A1 PRO 486 HG2 -0.64 0.00 0.07 -0.04 2.03 1.42 1oh5A1 PRO 486 HG3 -0.31 0.13 0.11 -0.04 2.03 1.91 1oh5A1 PRO 486 HD2 -1.67 0.03 0.15 -0.04 3.68 2.15 1oh5A1 PRO 486 HD3 -0.56 0.18 0.19 -0.04 3.65 3.42 1oh5A1 ILE 487 H -0.08 0.14 0.20 -0.55 8.25 7.95 1oh5A1 ILE 487 HA -0.02 0.20 0.54 -0.75 4.18 4.14 1oh5A1 ILE 487 HB -0.03 0.02 0.15 -0.04 1.89 1.99 1oh5A1 ILE 487 HG12 0.00 -0.03 0.05 -0.04 1.49 1.47 1oh5A1 ILE 487 HG13 0.02 -0.00 0.12 -0.04 1.21 1.30 1oh5A1 ILE 487 HG23 -0.00 -0.02 -0.06 -0.04 0.93 0.81 1oh5A1 ILE 487 HD13 0.00 0.03 0.02 -0.04 0.88 0.89 1oh5A1 ASN 488 H -0.01 -0.05 -0.38 -0.55 8.53 7.54 1oh5A1 ASN 488 HA 0.07 0.10 0.51 -0.75 4.76 4.68 1oh5A1 ASN 488 HB2 0.04 -0.05 0.05 -0.04 2.88 2.89 1oh5A1 ASN 488 HB3 0.18 0.00 -0.14 -0.04 2.79 2.79 1oh5A1 ASN 488 HD21 0.06 -0.04 0.05 -0.04 7.03 7.07 1oh5A1 ASN 488 HD22 0.11 -0.02 -0.02 -0.04 7.74 7.77 1oh5A1 TYR 489 H 0.12 0.44 -0.38 -0.55 8.29 7.92 1oh5A1 TYR 489 HA 0.03 0.02 0.51 -0.75 4.56 4.36 1oh5A1 TYR 489 HB2 -0.34 0.26 0.00 -0.04 3.06 2.94 1oh5A1 TYR 489 HB3 -0.28 -0.06 -0.18 -0.04 2.98 2.42 1oh5A1 TYR 489 HD2 -0.31 -0.04 -0.18 -0.04 7.15 6.57 1oh5A1 TYR 489 HE2 -0.04 -0.01 -0.09 -0.04 6.85 6.67 1oh5A1 MET 490 H 0.16 0.46 0.32 -0.55 8.47 8.86 1oh5A1 MET 490 HA 0.17 0.14 0.74 -0.75 4.52 4.81 1oh5A1 MET 490 HB2 0.09 -0.09 0.14 -0.04 2.15 2.25 1oh5A1 MET 490 HB3 0.09 0.02 0.06 -0.04 2.03 2.16 1oh5A1 MET 490 HG2 0.10 0.12 -0.08 -0.04 2.63 2.73 1oh5A1 MET 490 HG3 0.07 0.04 0.13 -0.04 2.56 2.77 1oh5A1 MET 490 HE3 0.05 -0.04 -0.04 -0.04 2.10 2.03 1oh5A1 ARG 491 H 0.16 0.18 0.15 -0.55 8.46 8.40 1oh5A1 ARG 491 HA -0.24 0.06 0.45 -0.75 4.34 3.86 1oh5A1 ARG 491 HB2 0.04 0.04 0.06 -0.04 1.90 2.00 1oh5A1 ARG 491 HB3 0.04 -0.00 0.15 -0.04 1.80 1.94 1oh5A1 ARG 491 HG2 -0.11 0.02 -0.35 -0.04 1.67 1.20 1oh5A1 ARG 491 HG3 -0.22 -0.02 -0.07 -0.04 1.67 1.31 1oh5A1 ARG 491 HD2 -0.05 -0.02 -0.07 -0.04 3.22 3.04 1oh5A1 ARG 491 HD3 0.01 0.02 -0.02 -0.04 3.22 3.19 1oh5A1 ARG 492 H -0.19 0.49 0.38 -0.55 8.46 8.58 1oh5A1 ARG 492 HA 0.01 0.17 0.82 -0.75 4.34 4.59 1oh5A1 ARG 492 HB2 0.05 0.00 -0.14 -0.04 1.90 1.77 1oh5A1 ARG 492 HB3 -0.01 -0.07 -0.13 -0.04 1.80 1.55 1oh5A1 ARG 492 HG2 0.05 -0.07 -0.32 -0.04 1.67 1.30 1oh5A1 ARG 492 HG3 0.08 -0.01 -0.05 -0.04 1.67 1.65 1oh5A1 ARG 492 HD2 0.13 -0.09 -0.14 -0.04 3.22 3.07 1oh5A1 ARG 492 HD3 0.15 0.22 -0.11 -0.04 3.22 3.43 1oh5A1 GLN 493 H -0.18 0.31 0.16 -0.55 8.47 8.21 1oh5A1 GLN 493 HA -0.20 0.18 0.72 -0.75 4.36 4.31 1oh5A1 GLN 493 HB2 -0.34 0.05 -0.13 -0.04 2.15 1.70 1oh5A1 GLN 493 HB3 -0.38 -0.08 0.00 -0.04 2.02 1.52 1oh5A1 GLN 493 HG2 -0.42 0.09 -0.17 -0.04 2.40 1.86 1oh5A1 GLN 493 HG3 -1.13 0.05 0.02 -0.04 2.39 1.29 1oh5A1 GLN 493 HE21 -0.27 -0.05 -0.07 -0.04 6.97 6.53 1oh5A1 GLN 493 HE22 -0.39 0.08 -0.07 -0.04 7.69 7.27 1oh5A1 THR 494 H -0.16 0.22 0.11 -0.55 8.28 7.90 1oh5A1 THR 494 HA -0.17 0.08 1.01 -0.75 4.39 4.56 1oh5A1 THR 494 HB -0.09 -0.02 0.12 -0.04 4.32 4.28 1oh5A1 THR 494 HG23 -0.07 0.02 -0.12 -0.04 1.22 1.02 1oh5A1 LEU 495 H -0.12 0.60 0.25 -0.55 8.37 8.56 1oh5A1 LEU 495 HA -0.09 0.20 0.81 -0.75 4.35 4.51 1oh5A1 LEU 495 HB2 -0.09 -0.13 0.06 -0.04 1.64 1.44 1oh5A1 LEU 495 HB3 -0.08 -0.12 0.17 -0.04 1.64 1.56 1oh5A1 LEU 495 HG -0.18 0.12 -0.44 -0.04 1.64 1.10 1oh5A1 LEU 495 HD13 -0.23 0.01 -0.24 -0.04 0.93 0.42 1oh5A1 LEU 495 HD23 -0.13 0.00 -0.05 -0.04 0.89 0.67 1oh5A1 LYS 496 H -0.05 0.12 0.15 -0.55 8.42 8.08 1oh5A1 LYS 496 HA -0.03 0.12 0.42 -0.75 4.32 4.08 1oh5A1 LYS 496 HB2 -0.03 0.03 0.16 -0.04 1.87 1.99 1oh5A1 LYS 496 HB3 -0.03 -0.08 0.17 -0.04 1.79 1.81 1oh5A1 LYS 496 HG2 -0.02 0.00 -0.12 -0.04 1.46 1.29 1oh5A1 LYS 496 HG3 -0.02 0.03 0.06 -0.04 1.46 1.49 1oh5A1 LYS 496 HD2 -0.02 0.01 0.03 -0.04 1.69 1.67 1oh5A1 LYS 496 HD3 -0.01 -0.02 0.01 -0.04 1.68 1.62 1oh5A1 LYS 496 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.93 1oh5A1 LYS 496 HE3 -0.01 0.01 0.00 -0.04 2.99 2.95 1oh5A1 ASN 497 H -0.03 -0.04 -0.05 -0.55 8.53 7.86 1oh5A1 ASN 497 HA -0.01 0.27 0.90 -0.75 4.76 5.17 1oh5A1 ASN 497 HB2 -0.01 -0.01 0.05 -0.04 2.88 2.86 1oh5A1 ASN 497 HB3 -0.00 -0.05 0.07 -0.04 2.79 2.77 1oh5A1 ASN 497 HD21 -0.01 0.05 -0.06 -0.04 7.03 6.97 1oh5A1 ASN 497 HD22 -0.01 -0.05 -0.06 -0.04 7.74 7.58 1oh5A1 ALA 498 H -0.04 -0.02 -0.05 -0.55 8.40 7.74 1oh5A1 ALA 498 HA 0.01 0.16 0.92 -0.75 4.34 4.68 1oh5A1 ALA 498 HB3 -0.03 0.01 -0.06 -0.04 1.41 1.29 1oh5A1 GLU 499 H 0.04 0.69 0.27 -0.55 8.60 9.05 1oh5A1 GLU 499 HA -0.16 0.07 0.68 -0.75 4.29 4.13 1oh5A1 GLU 499 HB2 0.01 -0.01 0.02 -0.04 2.09 2.07 1oh5A1 GLU 499 HB3 0.02 0.00 0.03 -0.04 1.99 2.00 1oh5A1 GLU 499 HG2 -0.40 0.02 -0.04 -0.04 2.34 1.87 1oh5A1 GLU 499 HG3 -0.33 -0.00 0.09 -0.04 2.34 2.05 1oh5A1 ARG 500 H -0.30 0.68 0.33 -0.55 8.46 8.62 1oh5A1 ARG 500 HA 0.02 0.34 1.08 -0.75 4.34 5.02 1oh5A1 ARG 500 HB2 -0.31 -0.02 0.15 -0.04 1.90 1.68 1oh5A1 ARG 500 HB3 -0.18 -0.01 -0.04 -0.04 1.80 1.53 1oh5A1 ARG 500 HG2 -0.45 -0.01 -0.20 -0.04 1.67 0.97 1oh5A1 ARG 500 HG3 -0.31 -0.10 -0.38 -0.04 1.67 0.84 1oh5A1 ARG 500 HD2 -0.56 -0.00 -0.18 -0.04 3.22 2.44 1oh5A1 ARG 500 HD3 -1.34 0.03 -0.16 -0.04 3.22 1.70 1oh5A1 TYR 501 H 0.23 0.54 0.41 -0.55 8.29 8.92 1oh5A1 TYR 501 HA 0.04 0.21 0.98 -0.75 4.56 5.04 1oh5A1 TYR 501 HB2 0.01 -0.01 -0.02 -0.04 3.06 2.99 1oh5A1 TYR 501 HB3 0.02 -0.03 -0.09 -0.04 2.98 2.84 1oh5A1 TYR 501 HD2 0.15 0.06 -0.45 -0.04 7.15 6.87 1oh5A1 TYR 501 HE2 0.08 0.02 -0.12 -0.04 6.85 6.79 1oh5A1 ILE 502 H 0.13 0.74 0.38 -0.55 8.25 8.96 1oh5A1 ILE 502 HA 0.04 0.05 0.87 -0.75 4.18 4.39 1oh5A1 ILE 502 HB 0.09 0.10 -0.05 -0.04 1.89 1.99 1oh5A1 ILE 502 HG12 0.08 0.03 -0.02 -0.04 1.49 1.54 1oh5A1 ILE 502 HG13 0.06 -0.01 -0.06 -0.04 1.21 1.16 1oh5A1 ILE 502 HG23 0.07 0.05 -0.05 -0.04 0.93 0.96 1oh5A1 ILE 502 HD13 0.12 0.01 -0.02 -0.04 0.88 0.95 1oh5A1 ILE 503 H -0.02 0.11 0.20 -0.55 8.25 7.99 1oh5A1 ILE 503 HA 0.00 0.36 0.75 -0.75 4.18 4.54 1oh5A1 ILE 503 HB -0.00 0.04 0.13 -0.04 1.89 2.02 1oh5A1 ILE 503 HG12 -0.10 0.01 0.02 -0.04 1.49 1.38 1oh5A1 ILE 503 HG13 -0.00 -0.35 -0.08 -0.04 1.21 0.74 1oh5A1 ILE 503 HG23 -0.26 0.05 -0.18 -0.04 0.93 0.50 1oh5A1 ILE 503 HD13 -0.05 0.04 -0.04 -0.04 0.88 0.79 1oh5A1 PRO 504 HA 0.03 0.09 0.42 -0.51 4.44 4.47 1oh5A1 PRO 504 HB2 0.03 0.02 0.06 -0.04 2.28 2.35 1oh5A1 PRO 504 HB3 0.03 0.08 0.08 -0.04 2.02 2.17 1oh5A1 PRO 504 HG2 0.04 0.09 0.10 -0.04 2.03 2.21 1oh5A1 PRO 504 HG3 0.03 0.10 0.10 -0.04 2.03 2.23 1oh5A1 PRO 504 HD2 0.03 0.11 0.23 -0.04 3.68 4.01 1oh5A1 PRO 504 HD3 0.04 0.28 0.23 -0.04 3.65 4.15 1oh5A1 GLU 505 H 0.04 0.15 -0.21 -0.55 8.60 8.04 1oh5A1 GLU 505 HA 0.06 0.12 0.37 -0.75 4.29 4.08 1oh5A1 GLU 505 HB2 0.06 0.03 0.08 -0.04 2.09 2.22 1oh5A1 GLU 505 HB3 0.10 0.00 -0.02 -0.04 1.99 2.03 1oh5A1 GLU 505 HG2 0.22 -0.01 0.03 -0.04 2.34 2.53 1oh5A1 GLU 505 HG3 0.10 0.04 0.03 -0.04 2.34 2.47 1oh5A1 LEU 506 H 0.06 0.21 -0.20 -0.55 8.37 7.90 1oh5A1 LEU 506 HA 0.09 0.12 0.60 -0.75 4.35 4.41 1oh5A1 LEU 506 HB2 0.05 -0.05 0.09 -0.04 1.64 1.69 1oh5A1 LEU 506 HB3 0.09 0.08 -0.04 -0.04 1.64 1.73 1oh5A1 LEU 506 HG 0.08 0.01 -0.05 -0.04 1.64 1.64 1oh5A1 LEU 506 HD13 0.11 0.03 -0.17 -0.04 0.93 0.86 1oh5A1 LEU 506 HD23 0.01 -0.00 -0.00 -0.04 0.89 0.85 1oh5A1 LYS 507 H 0.06 0.46 0.04 -0.55 8.42 8.42 1oh5A1 LYS 507 HA 0.08 0.07 0.50 -0.75 4.32 4.22 1oh5A1 LYS 507 HB2 0.06 0.03 0.06 -0.04 1.87 1.98 1oh5A1 LYS 507 HB3 0.04 0.07 0.06 -0.04 1.79 1.92 1oh5A1 LYS 507 HG2 0.04 -0.04 -0.03 -0.04 1.46 1.39 1oh5A1 LYS 507 HG3 0.06 0.04 0.04 -0.04 1.46 1.56 1oh5A1 LYS 507 HD2 0.04 0.01 -0.06 -0.04 1.69 1.64 1oh5A1 LYS 507 HD3 0.03 -0.00 -0.06 -0.04 1.68 1.61 1oh5A1 LYS 507 HE2 0.03 -0.01 -0.02 -0.04 2.99 2.95 1oh5A1 LYS 507 HE3 0.04 0.01 -0.01 -0.04 2.99 2.99 1oh5A1 GLU 508 H 0.03 0.37 -0.31 -0.55 8.60 8.14 1oh5A1 GLU 508 HA -0.01 0.08 0.56 -0.75 4.29 4.17 1oh5A1 GLU 508 HB2 0.01 0.05 0.10 -0.04 2.09 2.22 1oh5A1 GLU 508 HB3 0.01 0.08 0.11 -0.04 1.99 2.15 1oh5A1 GLU 508 HG2 -0.02 -0.03 -0.07 -0.04 2.34 2.17 1oh5A1 GLU 508 HG3 -0.00 -0.00 0.03 -0.04 2.34 2.32 1oh5A1 TYR 509 H 0.01 0.27 -0.20 -0.55 8.29 7.82 1oh5A1 TYR 509 HA -0.26 0.08 0.64 -0.75 4.56 4.26 1oh5A1 TYR 509 HB2 -0.74 0.05 0.18 -0.04 3.06 2.50 1oh5A1 TYR 509 HB3 -0.36 0.06 0.26 -0.04 2.98 2.90 1oh5A1 TYR 509 HD2 -0.71 0.05 -0.07 -0.04 7.15 6.38 1oh5A1 TYR 509 HE2 -0.46 0.03 -0.01 -0.04 6.85 6.37 1oh5A1 GLU 510 H -0.02 0.36 -0.31 -0.55 8.60 8.08 1oh5A1 GLU 510 HA -0.22 0.03 0.48 -0.75 4.29 3.82 1oh5A1 GLU 510 HB2 0.16 -0.02 0.12 -0.04 2.09 2.31 1oh5A1 GLU 510 HB3 0.09 0.11 0.22 -0.04 1.99 2.36 1oh5A1 GLU 510 HG2 0.15 0.03 -0.26 -0.04 2.34 2.22 1oh5A1 GLU 510 HG3 0.46 -0.09 0.07 -0.04 2.34 2.74 1oh5A1 ASP 511 H -0.04 0.42 -0.13 -0.55 8.40 8.11 1oh5A1 ASP 511 HA -0.01 0.07 0.56 -0.75 4.63 4.49 1oh5A1 ASP 511 HB2 -0.02 0.08 0.13 -0.04 2.71 2.85 1oh5A1 ASP 511 HB3 -0.02 -0.03 0.07 -0.04 2.70 2.69 1oh5A1 LYS 512 H -0.14 0.24 -0.46 -0.55 8.42 7.50 1oh5A1 LYS 512 HA -0.06 0.05 0.38 -0.75 4.32 3.93 1oh5A1 LYS 512 HB2 -0.10 0.15 0.18 -0.04 1.87 2.05 1oh5A1 LYS 512 HB3 -0.27 0.07 0.20 -0.04 1.79 1.74 1oh5A1 LYS 512 HG2 -0.05 -0.06 0.06 -0.04 1.46 1.37 1oh5A1 LYS 512 HG3 -0.07 -0.01 0.04 -0.04 1.46 1.38 1oh5A1 LYS 512 HD2 -0.09 -0.02 0.01 -0.04 1.69 1.56 1oh5A1 LYS 512 HD3 -0.29 0.02 0.02 -0.04 1.68 1.38 1oh5A1 LYS 512 HE2 -0.22 -0.01 -0.42 -0.04 2.99 2.29 1oh5A1 LYS 512 HE3 -0.04 -0.07 -0.10 -0.04 2.99 2.74 1oh5A1 VAL 513 H -0.33 0.33 -0.22 -0.55 8.24 7.47 1oh5A1 VAL 513 HA -0.20 0.10 0.50 -0.75 4.13 3.77 1oh5A1 VAL 513 HB -0.87 0.08 0.11 -0.04 2.12 1.39 1oh5A1 VAL 513 HG13 -0.32 0.00 0.06 -0.04 0.97 0.68 1oh5A1 VAL 513 HG23 -0.18 -0.02 0.04 -0.04 0.95 0.75 1oh5A1 LEU 514 H -0.10 0.42 -0.10 -0.55 8.37 8.04 1oh5A1 LEU 514 HA -0.06 0.07 0.55 -0.75 4.35 4.16 1oh5A1 LEU 514 HB2 -0.01 0.11 0.17 -0.04 1.64 1.86 1oh5A1 LEU 514 HB3 -0.00 -0.02 0.06 -0.04 1.64 1.64 1oh5A1 LEU 514 HG 0.08 0.09 0.14 -0.04 1.64 1.91 1oh5A1 LEU 514 HD13 0.16 -0.01 0.00 -0.04 0.93 1.04 1oh5A1 LEU 514 HD23 0.02 -0.02 0.00 -0.04 0.89 0.86 1oh5A1 THR 515 H -0.08 0.38 -0.24 -0.55 8.28 7.79 1oh5A1 THR 515 HA -0.12 0.09 0.70 -0.75 4.39 4.31 1oh5A1 THR 515 HB -0.10 -0.05 0.02 -0.04 4.32 4.15 1oh5A1 THR 515 HG23 -0.05 -0.00 0.05 -0.04 1.22 1.18 1oh5A1 SER 516 H -0.08 0.33 -0.22 -0.55 8.46 7.95 1oh5A1 SER 516 HA -0.28 0.02 0.56 -0.75 4.49 4.05 1oh5A1 SER 516 HB2 0.15 0.09 0.19 -0.04 3.95 4.34 1oh5A1 SER 516 HB3 -0.02 0.07 0.23 -0.04 3.93 4.16 1oh5A1 LYS 517 H -0.11 0.33 -0.35 -0.55 8.42 7.73 1oh5A1 LYS 517 HA -0.07 0.06 0.35 -0.75 4.32 3.91 1oh5A1 LYS 517 HB2 -0.08 0.11 0.20 -0.04 1.87 2.05 1oh5A1 LYS 517 HB3 -0.07 -0.01 -0.02 -0.04 1.79 1.64 1oh5A1 LYS 517 HG2 -0.04 -0.04 0.06 -0.04 1.46 1.41 1oh5A1 LYS 517 HG3 -0.07 0.09 0.11 -0.04 1.46 1.55 1oh5A1 LYS 517 HD2 -0.06 -0.01 0.02 -0.04 1.69 1.60 1oh5A1 LYS 517 HD3 -0.04 0.00 0.04 -0.04 1.68 1.64 1oh5A1 LYS 517 HE2 -0.11 -0.03 -0.01 -0.04 2.99 2.80 1oh5A1 LYS 517 HE3 -0.08 -0.02 0.02 -0.04 2.99 2.86 1oh5A1 GLY 518 H -0.15 0.31 -0.21 -0.55 8.43 7.83 1oh5A1 GLY 518 HA2 -0.11 0.08 0.53 -0.51 4.01 4.00 1oh5A1 GLY 518 HA3 -0.13 0.11 0.33 -0.51 4.01 3.81 1oh5A1 LYS 519 H -0.38 0.52 -0.17 -0.55 8.42 7.83 1oh5A1 LYS 519 HA -0.37 0.03 0.56 -0.75 4.32 3.78 1oh5A1 LYS 519 HB2 -1.33 0.14 0.17 -0.04 1.87 0.81 1oh5A1 LYS 519 HB3 -1.53 -0.07 -0.01 -0.04 1.79 0.15 1oh5A1 LYS 519 HG2 -0.40 -0.05 0.07 -0.04 1.46 1.03 1oh5A1 LYS 519 HG3 -0.71 0.08 0.04 -0.04 1.46 0.84 1oh5A1 LYS 519 HD2 -0.52 -0.02 0.00 -0.04 1.69 1.12 1oh5A1 LYS 519 HD3 -0.28 -0.04 0.03 -0.04 1.68 1.35 1oh5A1 LYS 519 HE2 -0.11 0.01 -0.01 -0.04 2.99 2.84 1oh5A1 LYS 519 HE3 0.02 -0.02 -0.00 -0.04 2.99 2.95 1oh5A1 ALA 520 H -0.38 0.49 -0.25 -0.55 8.40 7.72 1oh5A1 ALA 520 HA -0.11 -0.03 0.39 -0.75 4.34 3.83 1oh5A1 ALA 520 HB3 0.00 0.04 0.04 -0.04 1.41 1.45 1oh5A1 LEU 521 H -0.14 0.28 -0.52 -0.55 8.37 7.45 1oh5A1 LEU 521 HA -0.04 0.02 0.53 -0.75 4.35 4.11 1oh5A1 LEU 521 HB2 -0.07 0.22 0.19 -0.04 1.64 1.94 1oh5A1 LEU 521 HB3 -0.07 0.07 0.12 -0.04 1.64 1.72 1oh5A1 LEU 521 HG -0.04 -0.03 -0.03 -0.04 1.64 1.50 1oh5A1 LEU 521 HD13 -0.04 -0.03 -0.12 -0.04 0.93 0.70 1oh5A1 LEU 521 HD23 -0.04 0.03 0.03 -0.04 0.89 0.87 1oh5A1 ALA 522 H -0.11 0.45 -0.05 -0.55 8.40 8.14 1oh5A1 ALA 522 HA -0.04 0.07 0.41 -0.75 4.34 4.03 1oh5A1 ALA 522 HB3 -0.08 0.03 0.12 -0.04 1.41 1.45 1oh5A1 LEU 523 H -0.08 0.53 -0.08 -0.55 8.37 8.20 1oh5A1 LEU 523 HA 0.02 0.05 0.50 -0.75 4.35 4.17 1oh5A1 LEU 523 HB2 0.03 0.04 0.08 -0.04 1.64 1.74 1oh5A1 LEU 523 HB3 0.03 0.10 0.06 -0.04 1.64 1.78 1oh5A1 LEU 523 HG 0.09 -0.01 -0.23 -0.04 1.64 1.45 1oh5A1 LEU 523 HD13 0.06 -0.01 0.05 -0.04 0.93 0.99 1oh5A1 LEU 523 HD23 0.22 -0.02 -0.13 -0.04 0.89 0.92 1oh5A1 GLU 524 H 0.00 0.36 -0.41 -0.55 8.60 8.00 1oh5A1 GLU 524 HA 0.06 -0.01 0.56 -0.75 4.29 4.15 1oh5A1 GLU 524 HB2 0.02 0.20 0.24 -0.04 2.09 2.51 1oh5A1 GLU 524 HB3 -0.01 0.24 0.23 -0.04 1.99 2.41 1oh5A1 GLU 524 HG2 -0.00 0.02 -0.03 -0.04 2.34 2.28 1oh5A1 GLU 524 HG3 0.04 -0.05 0.13 -0.04 2.34 2.42 1oh5A1 LYS 525 H 0.00 0.52 -0.11 -0.55 8.42 8.28 1oh5A1 LYS 525 HA 0.04 -0.02 0.41 -0.75 4.32 3.99 1oh5A1 LYS 525 HB2 0.00 0.14 0.18 -0.04 1.87 2.15 1oh5A1 LYS 525 HB3 0.02 -0.02 0.06 -0.04 1.79 1.81 1oh5A1 LYS 525 HG2 -0.03 -0.08 0.01 -0.04 1.46 1.32 1oh5A1 LYS 525 HG3 -0.03 0.16 0.09 -0.04 1.46 1.64 1oh5A1 LYS 525 HD2 -0.02 -0.02 -0.02 -0.04 1.69 1.59 1oh5A1 LYS 525 HD3 -0.00 -0.01 0.00 -0.04 1.68 1.63 1oh5A1 LYS 525 HE2 -0.03 0.07 -0.07 -0.04 2.99 2.92 1oh5A1 LYS 525 HE3 -0.02 0.00 -0.01 -0.04 2.99 2.92 1oh5A1 GLN 526 H 0.03 0.30 -0.39 -0.55 8.47 7.86 1oh5A1 GLN 526 HA 0.03 0.08 0.58 -0.75 4.36 4.29 1oh5A1 GLN 526 HB2 0.02 0.08 0.17 -0.04 2.15 2.38 1oh5A1 GLN 526 HB3 0.04 0.02 0.10 -0.04 2.02 2.13 1oh5A1 GLN 526 HG2 0.02 0.01 0.07 -0.04 2.40 2.46 1oh5A1 GLN 526 HG3 0.02 -0.01 0.02 -0.04 2.39 2.38 1oh5A1 GLN 526 HE21 0.03 -0.03 -0.03 -0.04 6.97 6.90 1oh5A1 GLN 526 HE22 0.03 -0.02 0.00 -0.04 7.69 7.67 1oh5A1 LEU 527 H 0.06 0.58 0.02 -0.55 8.37 8.49 1oh5A1 LEU 527 HA 0.08 0.01 0.46 -0.75 4.35 4.15 1oh5A1 LEU 527 HB2 0.11 0.13 0.25 -0.04 1.64 2.09 1oh5A1 LEU 527 HB3 0.20 -0.02 0.02 -0.04 1.64 1.80 1oh5A1 LEU 527 HG 0.09 0.03 0.10 -0.04 1.64 1.81 1oh5A1 LEU 527 HD13 0.13 -0.04 -0.04 -0.04 0.93 0.94 1oh5A1 LEU 527 HD23 0.15 -0.01 0.01 -0.04 0.89 0.99 1oh5A1 TYR 528 H 0.11 0.55 -0.18 -0.55 8.29 8.22 1oh5A1 TYR 528 HA -0.17 0.04 0.39 -0.75 4.56 4.06 1oh5A1 TYR 528 HB2 -0.08 -0.00 0.07 -0.04 3.06 3.00 1oh5A1 TYR 528 HB3 -0.11 0.07 0.11 -0.04 2.98 3.01 1oh5A1 TYR 528 HD2 -0.14 0.02 -0.11 -0.04 7.15 6.87 1oh5A1 TYR 528 HE2 0.04 0.09 -0.09 -0.04 6.85 6.85 1oh5A1 GLU 529 H 0.02 0.50 -0.10 -0.55 8.60 8.46 1oh5A1 GLU 529 HA -0.37 0.05 0.47 -0.75 4.29 3.68 1oh5A1 GLU 529 HB2 0.03 0.15 0.23 -0.04 2.09 2.45 1oh5A1 GLU 529 HB3 0.05 -0.04 0.06 -0.04 1.99 2.02 1oh5A1 GLU 529 HG2 0.13 -0.00 0.10 -0.04 2.34 2.53 1oh5A1 GLU 529 HG3 0.10 -0.02 0.07 -0.04 2.34 2.44 1oh5A1 GLU 530 H -0.08 0.33 -0.54 -0.55 8.60 7.77 1oh5A1 GLU 530 HA -0.01 0.01 0.42 -0.75 4.29 3.96 1oh5A1 GLU 530 HB2 0.02 0.12 0.18 -0.04 2.09 2.36 1oh5A1 GLU 530 HB3 0.03 -0.07 -0.00 -0.04 1.99 1.91 1oh5A1 GLU 530 HG2 0.02 -0.05 0.03 -0.04 2.34 2.29 1oh5A1 GLU 530 HG3 0.02 0.16 -0.00 -0.04 2.34 2.48 1oh5A1 LEU 531 H -0.28 0.45 -0.26 -0.55 8.37 7.73 1oh5A1 LEU 531 HA -0.05 0.02 0.58 -0.75 4.35 4.14 1oh5A1 LEU 531 HB2 -0.60 0.26 0.15 -0.04 1.64 1.41 1oh5A1 LEU 531 HB3 -0.21 -0.06 -0.05 -0.04 1.64 1.27 1oh5A1 LEU 531 HG -0.17 -0.05 -0.02 -0.04 1.64 1.36 1oh5A1 LEU 531 HD13 -0.10 0.04 -0.01 -0.04 0.93 0.82 1oh5A1 LEU 531 HD23 -0.35 0.00 0.01 -0.04 0.89 0.51 1oh5A1 PHE 532 H -0.41 0.34 -0.22 -0.55 8.34 7.49 1oh5A1 PHE 532 HA -0.06 0.01 0.48 -0.75 4.62 4.29 1oh5A1 PHE 532 HB2 -0.04 0.19 0.14 -0.04 3.15 3.39 1oh5A1 PHE 532 HB3 -0.04 0.05 0.08 -0.04 3.06 3.10 1oh5A1 PHE 532 HD2 -0.07 -0.01 -0.00 -0.04 7.28 7.16 1oh5A1 PHE 532 HE2 -0.03 -0.02 -0.13 -0.04 7.38 7.16 1oh5A1 PHE 532 HZ 0.12 0.32 -0.13 -0.04 7.32 7.58 1oh5A1 ASP 533 H 0.06 0.24 -0.26 -0.55 8.40 7.89 1oh5A1 ASP 533 HA 0.06 0.07 0.46 -0.75 4.63 4.46 1oh5A1 ASP 533 HB2 0.03 0.16 0.14 -0.04 2.71 2.99 1oh5A1 ASP 533 HB3 0.03 -0.04 0.00 -0.04 2.70 2.65 1oh5A1 LEU 534 H 0.04 0.36 -0.18 -0.55 8.37 8.04 1oh5A1 LEU 534 HA 0.03 0.05 0.55 -0.75 4.35 4.22 1oh5A1 LEU 534 HB2 0.06 0.07 0.14 -0.04 1.64 1.88 1oh5A1 LEU 534 HB3 0.09 -0.08 0.02 -0.04 1.64 1.63 1oh5A1 LEU 534 HG 0.04 0.20 0.10 -0.04 1.64 1.95 1oh5A1 LEU 534 HD13 0.10 -0.03 -0.02 -0.04 0.93 0.94 1oh5A1 LEU 534 HD23 0.05 -0.02 -0.00 -0.04 0.89 0.87 1oh5A1 LEU 535 H 0.08 0.60 -0.08 -0.55 8.37 8.42 1oh5A1 LEU 535 HA 0.18 -0.03 0.46 -0.75 4.35 4.20 1oh5A1 LEU 535 HB2 0.13 0.08 0.15 -0.04 1.64 1.95 1oh5A1 LEU 535 HB3 0.11 -0.07 -0.05 -0.04 1.64 1.59 1oh5A1 LEU 535 HG 0.09 0.04 0.05 -0.04 1.64 1.78 1oh5A1 LEU 535 HD13 0.10 -0.02 -0.16 -0.04 0.93 0.81 1oh5A1 LEU 535 HD23 0.16 -0.02 -0.02 -0.04 0.89 0.96 1oh5A1 LEU 536 H 0.06 0.57 -0.14 -0.55 8.37 8.31 1oh5A1 LEU 536 HA 0.02 -0.06 0.11 -0.75 4.35 3.66 1oh5A1 LEU 536 HB2 0.03 0.20 0.18 -0.04 1.64 2.01 1oh5A1 LEU 536 HB3 0.01 -0.07 -0.08 -0.04 1.64 1.45 1oh5A1 LEU 536 HG -0.01 -0.06 0.01 -0.04 1.64 1.55 1oh5A1 LEU 536 HD13 -0.03 0.04 -0.02 -0.04 0.93 0.89 1oh5A1 LEU 536 HD23 0.03 0.01 -0.09 -0.04 0.89 0.79 1oh5A1 PRO 537 HA -0.06 0.04 0.55 -0.51 4.44 4.45 1oh5A1 PRO 537 HB2 -0.58 -0.01 0.06 -0.04 2.28 1.72 1oh5A1 PRO 537 HB3 -0.16 -0.04 0.10 -0.04 2.02 1.88 1oh5A1 PRO 537 HG2 -0.15 0.05 0.06 -0.04 2.03 1.95 1oh5A1 PRO 537 HG3 -0.08 -0.01 0.08 -0.04 2.03 1.98 1oh5A1 PRO 537 HD2 -0.10 0.21 -0.83 -0.04 3.68 2.92 1oh5A1 PRO 537 HD3 -0.03 0.24 -0.05 -0.04 3.65 3.77 1oh5A1 HIS 538 H -0.31 0.47 -0.10 -0.55 8.41 7.93 1oh5A1 HIS 538 HA 0.09 0.03 0.41 -0.75 4.63 4.40 1oh5A1 HIS 538 HB2 0.09 0.08 0.10 -0.04 3.26 3.50 1oh5A1 HIS 538 HB3 0.22 -0.11 0.17 -0.04 3.20 3.44 1oh5A1 HIS 538 HD2 0.07 -0.02 -0.01 -0.04 6.97 6.96 1oh5A1 HIS 538 HE1 0.05 0.02 0.03 -0.04 7.75 7.80 1oh5A1 LEU 539 H 0.05 0.58 -0.73 -0.55 8.37 7.72 1oh5A1 LEU 539 HA 0.05 0.00 0.24 -0.75 4.35 3.89 1oh5A1 LEU 539 HB2 0.03 0.13 0.07 -0.04 1.64 1.83 1oh5A1 LEU 539 HB3 0.05 0.04 0.09 -0.04 1.64 1.77 1oh5A1 LEU 539 HG 0.06 -0.02 -0.25 -0.04 1.64 1.39 1oh5A1 LEU 539 HD13 0.01 -0.03 0.01 -0.04 0.93 0.88 1oh5A1 LEU 539 HD23 0.03 0.01 -0.13 -0.04 0.89 0.76 1oh5A1 GLU 540 H 0.08 0.26 -0.01 -0.55 8.60 8.38 1oh5A1 GLU 540 HA 0.08 0.11 0.42 -0.75 4.29 4.15 1oh5A1 GLU 540 HB2 0.07 0.09 0.15 -0.04 2.09 2.35 1oh5A1 GLU 540 HB3 0.08 -0.05 0.09 -0.04 1.99 2.07 1oh5A1 GLU 540 HG2 0.07 -0.03 -0.15 -0.04 2.34 2.18 1oh5A1 GLU 540 HG3 0.06 0.04 0.05 -0.04 2.34 2.45 1oh5A1 ALA 541 H 0.15 0.12 -0.22 -0.55 8.40 7.91 1oh5A1 ALA 541 HA 0.15 0.07 0.44 -0.75 4.34 4.24 1oh5A1 ALA 541 HB3 0.24 0.02 0.07 -0.04 1.41 1.71 1oh5A1 LEU 542 H 0.13 0.41 -0.29 -0.55 8.37 8.07 1oh5A1 LEU 542 HA -0.10 0.04 0.53 -0.75 4.35 4.06 1oh5A1 LEU 542 HB2 -0.00 0.13 0.17 -0.04 1.64 1.91 1oh5A1 LEU 542 HB3 -0.06 -0.06 -0.01 -0.04 1.64 1.47 1oh5A1 LEU 542 HG -0.36 0.02 0.01 -0.04 1.64 1.28 1oh5A1 LEU 542 HD13 0.01 -0.02 -0.15 -0.04 0.93 0.73 1oh5A1 LEU 542 HD23 -0.68 -0.02 0.00 -0.04 0.89 0.15 1oh5A1 GLN 543 H 0.07 0.73 0.07 -0.55 8.47 8.78 1oh5A1 GLN 543 HA 0.05 -0.02 0.50 -0.75 4.36 4.13 1oh5A1 GLN 543 HB2 0.07 0.13 0.18 -0.04 2.15 2.48 1oh5A1 GLN 543 HB3 0.06 -0.02 0.04 -0.04 2.02 2.07 1oh5A1 GLN 543 HG2 0.05 -0.08 0.04 -0.04 2.40 2.37 1oh5A1 GLN 543 HG3 0.06 0.17 0.05 -0.04 2.39 2.62 1oh5A1 GLN 543 HE21 0.10 0.22 0.11 -0.04 6.97 7.36 1oh5A1 GLN 543 HE22 0.07 -0.08 0.08 -0.04 7.69 7.72 1oh5A1 GLN 544 H 0.10 0.43 -0.26 -0.55 8.47 8.19 1oh5A1 GLN 544 HA 0.07 0.00 0.50 -0.75 4.36 4.18 1oh5A1 GLN 544 HB2 0.09 0.08 0.15 -0.04 2.15 2.43 1oh5A1 GLN 544 HB3 0.08 0.09 0.03 -0.04 2.02 2.18 1oh5A1 GLN 544 HG2 0.06 -0.04 0.05 -0.04 2.40 2.42 1oh5A1 GLN 544 HG3 0.06 0.01 0.00 -0.04 2.39 2.43 1oh5A1 GLN 544 HE21 0.04 -0.05 -0.02 -0.04 6.97 6.90 1oh5A1 GLN 544 HE22 0.06 0.03 -0.05 -0.04 7.69 7.69 1oh5A1 SER 545 H 0.14 0.26 -0.35 -0.55 8.46 7.97 1oh5A1 SER 545 HA 0.14 0.17 0.58 -0.75 4.49 4.62 1oh5A1 SER 545 HB2 0.37 0.05 0.19 -0.04 3.95 4.52 1oh5A1 SER 545 HB3 0.11 0.07 0.25 -0.04 3.93 4.32 1oh5A1 ALA 546 H 0.06 0.62 0.02 -0.55 8.40 8.56 1oh5A1 ALA 546 HA 0.04 -0.01 0.31 -0.75 4.34 3.92 1oh5A1 ALA 546 HB3 0.02 0.01 -0.00 -0.04 1.41 1.40 1oh5A1 SER 547 H 0.06 0.43 -0.49 -0.55 8.46 7.91 1oh5A1 SER 547 HA 0.05 -0.01 0.40 -0.75 4.49 4.17 1oh5A1 SER 547 HB2 0.06 -0.03 0.08 -0.04 3.95 4.02 1oh5A1 SER 547 HB3 0.06 0.17 0.18 -0.04 3.93 4.31 1oh5A1 ALA 548 H 0.06 0.55 -0.23 -0.55 8.40 8.24 1oh5A1 ALA 548 HA 0.06 0.01 0.64 -0.75 4.34 4.30 1oh5A1 ALA 548 HB3 0.05 0.07 0.04 -0.04 1.41 1.53 1oh5A1 LEU 549 H 0.04 0.56 -0.09 -0.55 8.37 8.33 1oh5A1 LEU 549 HA 0.02 0.06 0.45 -0.75 4.35 4.13 1oh5A1 LEU 549 HB2 0.03 0.05 0.11 -0.04 1.64 1.79 1oh5A1 LEU 549 HB3 0.02 -0.05 0.06 -0.04 1.64 1.62 1oh5A1 LEU 549 HG 0.06 0.10 0.05 -0.04 1.64 1.80 1oh5A1 LEU 549 HD13 0.07 -0.01 -0.20 -0.04 0.93 0.75 1oh5A1 LEU 549 HD23 0.04 -0.01 -0.00 -0.04 0.89 0.88 1oh5A1 ALA 550 H 0.02 0.38 -0.39 -0.55 8.40 7.86 1oh5A1 ALA 550 HA -0.04 -0.04 0.41 -0.75 4.34 3.92 1oh5A1 ALA 550 HB3 -0.02 0.07 -0.03 -0.04 1.41 1.39 1oh5A1 GLU 551 H 0.02 0.45 -0.12 -0.55 8.60 8.40 1oh5A1 GLU 551 HA -0.12 0.04 0.46 -0.75 4.29 3.91 1oh5A1 GLU 551 HB2 0.15 0.08 0.16 -0.04 2.09 2.45 1oh5A1 GLU 551 HB3 0.09 0.10 0.13 -0.04 1.99 2.27 1oh5A1 GLU 551 HG2 0.17 -0.02 -0.11 -0.04 2.34 2.33 1oh5A1 GLU 551 HG3 0.36 -0.02 0.09 -0.04 2.34 2.72 1oh5A1 LEU 552 H 0.00 0.41 -0.43 -0.55 8.37 7.80 1oh5A1 LEU 552 HA 0.00 0.03 0.53 -0.75 4.35 4.16 1oh5A1 LEU 552 HB2 0.01 0.20 0.19 -0.04 1.64 2.00 1oh5A1 LEU 552 HB3 -0.01 -0.02 -0.03 -0.04 1.64 1.54 1oh5A1 LEU 552 HG -0.00 -0.06 0.01 -0.04 1.64 1.55 1oh5A1 LEU 552 HD13 0.02 0.01 -0.01 -0.04 0.93 0.91 1oh5A1 LEU 552 HD23 0.01 0.02 -0.07 -0.04 0.89 0.81 1oh5A1 ASP 553 H -0.04 0.45 -0.17 -0.55 8.40 8.09 1oh5A1 ASP 553 HA -0.04 0.01 0.38 -0.75 4.63 4.23 1oh5A1 ASP 553 HB2 -0.04 0.18 0.22 -0.04 2.71 3.03 1oh5A1 ASP 553 HB3 -0.07 0.16 0.20 -0.04 2.70 2.95 1oh5A1 VAL 554 H -0.15 0.37 -0.36 -0.55 8.24 7.55 1oh5A1 VAL 554 HA -0.20 0.03 0.46 -0.75 4.13 3.67 1oh5A1 VAL 554 HB -0.48 0.08 0.15 -0.04 2.12 1.84 1oh5A1 VAL 554 HG13 -0.89 0.00 -0.14 -0.04 0.97 -0.10 1oh5A1 VAL 554 HG23 -0.48 0.03 0.04 -0.04 0.95 0.50 1oh5A1 LEU 555 H -0.08 0.48 -0.11 -0.55 8.37 8.10 1oh5A1 LEU 555 HA 0.01 0.07 0.37 -0.75 4.35 4.04 1oh5A1 LEU 555 HB2 0.02 0.00 0.19 -0.04 1.64 1.80 1oh5A1 LEU 555 HB3 0.04 -0.02 -0.08 -0.04 1.64 1.53 1oh5A1 LEU 555 HG 0.08 0.26 0.15 -0.04 1.64 2.09 1oh5A1 LEU 555 HD13 0.14 -0.03 -0.02 -0.04 0.93 0.97 1oh5A1 LEU 555 HD23 0.31 0.01 -0.04 -0.04 0.89 1.13 1oh5A1 VAL 556 H -0.02 0.55 0.08 -0.55 8.24 8.30 1oh5A1 VAL 556 HA -0.00 0.02 0.43 -0.75 4.13 3.82 1oh5A1 VAL 556 HB -0.02 0.11 0.04 -0.04 2.12 2.21 1oh5A1 VAL 556 HG13 0.01 -0.02 -0.10 -0.04 0.97 0.81 1oh5A1 VAL 556 HG23 0.00 -0.00 0.02 -0.04 0.95 0.93 1oh5A1 ASN 557 H -0.05 0.31 -0.68 -0.55 8.53 7.56 1oh5A1 ASN 557 HA -0.03 0.01 0.54 -0.75 4.76 4.53 1oh5A1 ASN 557 HB2 -0.05 -0.01 0.08 -0.04 2.88 2.86 1oh5A1 ASN 557 HB3 -0.07 0.25 0.22 -0.04 2.79 3.14 1oh5A1 ASN 557 HD21 -0.03 0.67 0.13 -0.04 7.03 7.75 1oh5A1 ASN 557 HD22 -0.05 0.05 -0.09 -0.04 7.74 7.61 1oh5A1 LEU 558 H -0.04 0.56 0.09 -0.55 8.37 8.43 1oh5A1 LEU 558 HA -0.01 0.03 0.41 -0.75 4.35 4.02 1oh5A1 LEU 558 HB2 0.01 0.07 0.14 -0.04 1.64 1.81 1oh5A1 LEU 558 HB3 0.03 -0.09 0.08 -0.04 1.64 1.62 1oh5A1 LEU 558 HG -0.03 0.19 0.13 -0.04 1.64 1.89 1oh5A1 LEU 558 HD13 0.12 -0.03 -0.10 -0.04 0.93 0.88 1oh5A1 LEU 558 HD23 0.06 -0.01 0.01 -0.04 0.89 0.90 1oh5A1 ALA 559 H -0.04 0.43 -0.43 -0.55 8.40 7.81 1oh5A1 ALA 559 HA -0.14 0.06 0.55 -0.75 4.34 4.05 1oh5A1 ALA 559 HB3 -0.04 0.01 0.01 -0.04 1.41 1.35 1oh5A1 GLU 560 H -0.02 0.48 -0.04 -0.55 8.60 8.47 1oh5A1 GLU 560 HA 0.05 0.00 0.53 -0.75 4.29 4.12 1oh5A1 GLU 560 HB2 0.01 0.00 0.20 -0.04 2.09 2.26 1oh5A1 GLU 560 HB3 -0.01 0.17 0.25 -0.04 1.99 2.35 1oh5A1 GLU 560 HG2 0.04 -0.08 0.07 -0.04 2.34 2.33 1oh5A1 GLU 560 HG3 0.01 -0.01 0.02 -0.04 2.34 2.32 1oh5A1 ARG 561 H -0.05 0.70 0.00 -0.55 8.46 8.56 1oh5A1 ARG 561 HA -0.14 -0.01 0.43 -0.75 4.34 3.87 1oh5A1 ARG 561 HB2 -0.05 0.04 0.09 -0.04 1.90 1.93 1oh5A1 ARG 561 HB3 -0.14 -0.00 -0.04 -0.04 1.80 1.58 1oh5A1 ARG 561 HG2 -0.04 0.02 0.06 -0.04 1.67 1.66 1oh5A1 ARG 561 HG3 -0.02 0.11 0.04 -0.04 1.67 1.75 1oh5A1 ARG 561 HD2 -0.02 0.07 0.09 -0.04 3.22 3.32 1oh5A1 ARG 561 HD3 -0.08 -0.03 0.06 -0.04 3.22 3.13 1oh5A1 ALA 562 H -0.09 0.30 -0.58 -0.55 8.40 7.49 1oh5A1 ALA 562 HA -0.24 -0.01 0.32 -0.75 4.34 3.66 1oh5A1 ALA 562 HB3 0.01 0.04 0.08 -0.04 1.41 1.49 1oh5A1 TYR 563 H 0.06 0.34 -0.32 -0.55 8.29 7.81 1oh5A1 TYR 563 HA -0.02 0.09 0.76 -0.75 4.56 4.64 1oh5A1 TYR 563 HB2 -0.03 0.01 0.14 -0.04 3.06 3.14 1oh5A1 TYR 563 HB3 -0.05 0.05 0.29 -0.04 2.98 3.23 1oh5A1 TYR 563 HD2 -0.02 0.01 0.07 -0.04 7.15 7.17 1oh5A1 TYR 563 HE2 -0.02 -0.05 0.00 -0.04 6.85 6.75 1oh5A1 THR 564 H -0.06 0.60 0.17 -0.55 8.28 8.44 1oh5A1 THR 564 HA -0.39 -0.03 0.33 -0.75 4.39 3.55 1oh5A1 THR 564 HB -0.14 0.02 0.12 -0.04 4.32 4.28 1oh5A1 THR 564 HG23 -0.11 -0.02 -0.02 -0.04 1.22 1.03 1oh5A1 LEU 565 H -0.27 0.45 -0.08 -0.55 8.37 7.93 1oh5A1 LEU 565 HA -0.12 0.04 0.43 -0.75 4.35 3.95 1oh5A1 LEU 565 HB2 -0.92 0.14 -0.07 -0.04 1.64 0.75 1oh5A1 LEU 565 HB3 -0.14 -0.05 0.04 -0.04 1.64 1.44 1oh5A1 LEU 565 HG -0.23 -0.02 0.09 -0.04 1.64 1.44 1oh5A1 LEU 565 HD13 -0.08 0.02 -0.04 -0.04 0.93 0.80 1oh5A1 LEU 565 HD23 -0.07 -0.02 -0.07 -0.04 0.89 0.69 1oh5A1 ASN 566 H -0.16 0.22 -0.79 -0.55 8.53 7.25 1oh5A1 ASN 566 HA 0.02 0.12 0.31 -0.75 4.76 4.46 1oh5A1 ASN 566 HB2 -0.03 0.01 -0.22 -0.04 2.88 2.61 1oh5A1 ASN 566 HB3 0.05 0.09 0.04 -0.04 2.79 2.92 1oh5A1 ASN 566 HD21 0.03 -0.11 -0.00 -0.04 7.03 6.91 1oh5A1 ASN 566 HD22 -0.01 0.04 0.01 -0.04 7.74 7.73 1oh5A1 TYR 567 H 0.11 0.39 0.12 -0.55 8.29 8.35 1oh5A1 TYR 567 HA 0.03 0.17 0.91 -0.75 4.56 4.92 1oh5A1 TYR 567 HB2 0.16 -0.08 -0.08 -0.04 3.06 3.02 1oh5A1 TYR 567 HB3 0.12 -0.08 -0.29 -0.04 2.98 2.68 1oh5A1 TYR 567 HD2 0.04 0.12 -0.62 -0.04 7.15 6.65 1oh5A1 TYR 567 HE2 -0.01 0.01 -0.17 -0.04 6.85 6.65 1oh5A1 THR 568 H 0.06 0.44 0.35 -0.55 8.28 8.58 1oh5A1 THR 568 HA -0.04 0.18 0.99 -0.75 4.39 4.77 1oh5A1 THR 568 HB -0.10 -0.12 0.16 -0.04 4.32 4.21 1oh5A1 THR 568 HG23 0.02 0.08 0.02 -0.04 1.22 1.29 1oh5A1 CYS 569 H -0.50 0.11 0.18 -0.55 8.50 7.73 1oh5A1 CYS 569 HA -0.78 0.13 0.46 -0.75 4.58 3.63 1oh5A1 CYS 569 HB2 -1.14 -0.04 0.15 -0.04 2.97 1.90 1oh5A1 CYS 569 HB3 -0.36 -0.08 0.18 -0.04 2.97 2.67 1oh5A1 PRO 570 HA -0.24 0.10 0.68 -0.51 4.44 4.47 1oh5A1 PRO 570 HB2 -0.47 0.02 0.01 -0.04 2.28 1.81 1oh5A1 PRO 570 HB3 -0.24 -0.09 0.08 -0.04 2.02 1.73 1oh5A1 PRO 570 HG2 -0.31 0.07 0.06 -0.04 2.03 1.81 1oh5A1 PRO 570 HG3 -0.17 0.02 0.05 -0.04 2.03 1.89 1oh5A1 PRO 570 HD2 -0.14 0.11 0.25 -0.04 3.68 3.86 1oh5A1 PRO 570 HD3 -0.15 0.15 0.39 -0.04 3.65 3.99 1oh5A1 THR 571 H -0.30 0.54 0.47 -0.55 8.28 8.43 1oh5A1 THR 571 HA -0.32 0.17 0.86 -0.75 4.39 4.35 1oh5A1 THR 571 HB -0.06 -0.02 0.11 -0.04 4.32 4.30 1oh5A1 THR 571 HG23 -0.10 0.02 -0.11 -0.04 1.22 0.99 1oh5A1 PHE 572 H 0.09 0.11 0.18 -0.55 8.34 8.17 1oh5A1 PHE 572 HA -0.03 0.41 0.80 -0.75 4.62 5.04 1oh5A1 PHE 572 HB2 0.00 -0.10 0.06 -0.04 3.15 3.07 1oh5A1 PHE 572 HB3 0.03 0.08 0.09 -0.04 3.06 3.22 1oh5A1 PHE 572 HD2 -0.08 0.05 -0.01 -0.04 7.28 7.20 1oh5A1 PHE 572 HE2 -0.57 0.02 -0.15 -0.04 7.38 6.64 1oh5A1 PHE 572 HZ -0.18 0.19 -0.03 -0.04 7.32 7.26 1oh5A1 ILE 573 H 0.18 0.35 0.07 -0.55 8.25 8.30 1oh5A1 ILE 573 HA 0.07 0.14 0.75 -0.75 4.18 4.39 1oh5A1 ILE 573 HB 0.03 -0.21 0.11 -0.04 1.89 1.79 1oh5A1 ILE 573 HG12 0.03 -0.01 -0.52 -0.04 1.49 0.96 1oh5A1 ILE 573 HG13 0.06 0.11 -0.17 -0.04 1.21 1.17 1oh5A1 ILE 573 HG23 0.01 0.00 -0.30 -0.04 0.93 0.60 1oh5A1 ILE 573 HD13 0.01 -0.01 -0.20 -0.04 0.88 0.63 1oh5A1 ASP 574 H 0.04 0.04 0.17 -0.55 8.40 8.10 1oh5A1 ASP 574 HA 0.07 0.16 0.52 -0.75 4.63 4.63 1oh5A1 ASP 574 HB2 0.03 0.00 0.02 -0.04 2.71 2.72 1oh5A1 ASP 574 HB3 0.04 -0.00 0.07 -0.04 2.70 2.77 1oh5A1 LYS 575 H 0.01 -0.04 0.12 -0.55 8.42 7.96 1oh5A1 LYS 575 HA -0.06 0.19 0.79 -0.75 4.32 4.48 1oh5A1 LYS 575 HB2 -0.04 0.12 0.04 -0.04 1.87 1.95 1oh5A1 LYS 575 HB3 -0.06 0.03 0.14 -0.04 1.79 1.86 1oh5A1 LYS 575 HG2 0.00 -0.16 -0.02 -0.04 1.46 1.24 1oh5A1 LYS 575 HG3 -0.01 -0.01 0.06 -0.04 1.46 1.46 1oh5A1 LYS 575 HD2 -0.00 -0.03 0.01 -0.04 1.69 1.63 1oh5A1 LYS 575 HD3 -0.02 0.05 0.03 -0.04 1.68 1.70 1oh5A1 LYS 575 HE2 0.01 0.05 -0.07 -0.04 2.99 2.94 1oh5A1 LYS 575 HE3 0.01 -0.04 -0.02 -0.04 2.99 2.90 1oh5A1 PRO 576 HA -0.06 0.14 0.50 -0.51 4.44 4.51 1oh5A1 PRO 576 HB2 -0.13 -0.01 -0.03 -0.04 2.28 2.07 1oh5A1 PRO 576 HB3 -0.16 0.11 0.14 -0.04 2.02 2.07 1oh5A1 PRO 576 HG2 -0.39 0.16 0.11 -0.04 2.03 1.87 1oh5A1 PRO 576 HG3 -0.87 -0.02 0.04 -0.04 2.03 1.14 1oh5A1 PRO 576 HD2 -0.18 0.04 0.22 -0.04 3.68 3.72 1oh5A1 PRO 576 HD3 -0.34 0.07 0.25 -0.04 3.65 3.58 1oh5A1 GLY 577 H -0.00 0.28 0.10 -0.55 8.43 8.26 1oh5A1 GLY 577 HA2 -0.02 -0.05 0.05 -0.51 4.01 3.48 1oh5A1 GLY 577 HA3 -0.01 0.12 0.34 -0.51 4.01 3.95 1oh5A1 ILE 578 H -0.01 0.27 0.12 -0.55 8.25 8.08 1oh5A1 ILE 578 HA -0.02 0.25 0.65 -0.75 4.18 4.31 1oh5A1 ILE 578 HB -0.02 -0.12 0.04 -0.04 1.89 1.75 1oh5A1 ILE 578 HG12 0.02 0.25 -0.18 -0.04 1.49 1.54 1oh5A1 ILE 578 HG13 0.00 -0.14 -0.41 -0.04 1.21 0.63 1oh5A1 ILE 578 HG23 -0.04 0.01 -0.09 -0.04 0.93 0.77 1oh5A1 ILE 578 HD13 0.00 0.01 -0.12 -0.04 0.88 0.73 1oh5A1 ARG 579 H -0.04 0.39 0.07 -0.55 8.46 8.33 1oh5A1 ARG 579 HA -0.01 0.26 1.03 -0.75 4.34 4.87 1oh5A1 ARG 579 HB2 -0.03 -0.05 0.22 -0.04 1.90 2.00 1oh5A1 ARG 579 HB3 -0.02 -0.00 0.11 -0.04 1.80 1.85 1oh5A1 ARG 579 HG2 -0.01 0.13 -0.15 -0.04 1.67 1.60 1oh5A1 ARG 579 HG3 -0.02 0.02 -0.22 -0.04 1.67 1.42 1oh5A1 ARG 579 HD2 -0.01 -0.03 -0.01 -0.04 3.22 3.12 1oh5A1 ARG 579 HD3 -0.01 0.01 -0.04 -0.04 3.22 3.14 1oh5A1 ILE 580 H -0.01 0.35 0.18 -0.55 8.25 8.22 1oh5A1 ILE 580 HA -0.04 0.21 0.82 -0.75 4.18 4.42 1oh5A1 ILE 580 HB 0.01 -0.08 0.03 -0.04 1.89 1.80 1oh5A1 ILE 580 HG12 -0.05 -0.08 -0.23 -0.04 1.49 1.10 1oh5A1 ILE 580 HG13 -0.04 -0.03 -0.10 -0.04 1.21 1.00 1oh5A1 ILE 580 HG23 -0.03 0.00 -0.11 -0.04 0.93 0.75 1oh5A1 ILE 580 HD13 -0.07 0.03 -0.11 -0.04 0.88 0.69 1oh5A1 THR 581 H -0.02 0.58 0.29 -0.55 8.28 8.58 1oh5A1 THR 581 HA 0.01 0.08 0.89 -0.75 4.39 4.62 1oh5A1 THR 581 HB -0.02 -0.01 0.24 -0.04 4.32 4.49 1oh5A1 THR 581 HG23 0.00 -0.01 -0.10 -0.04 1.22 1.08 1oh5A1 GLU 582 H 0.03 0.14 -0.11 -0.55 8.60 8.11 1oh5A1 GLU 582 HA 0.06 0.03 0.08 -0.75 4.29 3.71 1oh5A1 GLU 582 HB2 0.02 -0.01 -0.10 -0.04 2.09 1.96 1oh5A1 GLU 582 HB3 0.04 0.07 0.17 -0.04 1.99 2.23 1oh5A1 GLU 582 HG2 0.03 -0.05 -0.06 -0.04 2.34 2.21 1oh5A1 GLU 582 HG3 0.02 0.00 -0.08 -0.04 2.34 2.25 1oh5A1 GLY 583 H 0.06 0.41 -0.07 -0.55 8.43 8.28 1oh5A1 GLY 583 HA2 -0.01 0.30 0.71 -0.51 4.01 4.50 1oh5A1 GLY 583 HA3 0.01 -0.05 0.23 -0.51 4.01 3.69 1oh5A1 ARG 584 H -0.07 0.59 0.28 -0.55 8.46 8.70 1oh5A1 ARG 584 HA 0.07 0.07 0.81 -0.75 4.34 4.54 1oh5A1 ARG 584 HB2 -0.15 0.08 -0.09 -0.04 1.90 1.70 1oh5A1 ARG 584 HB3 -0.48 -0.03 -0.14 -0.04 1.80 1.11 1oh5A1 ARG 584 HG2 0.14 -0.02 -0.19 -0.04 1.67 1.56 1oh5A1 ARG 584 HG3 0.15 -0.00 -0.67 -0.04 1.67 1.11 1oh5A1 ARG 584 HD2 0.07 -0.02 -0.12 -0.04 3.22 3.11 1oh5A1 ARG 584 HD3 0.01 0.09 -0.21 -0.04 3.22 3.08 1oh5A1 HIS 585 H -0.67 0.12 0.07 -0.55 8.41 7.39 1oh5A1 HIS 585 HA -0.16 0.16 0.69 -0.75 4.63 4.56 1oh5A1 HIS 585 HB2 -0.02 0.07 0.11 -0.04 3.26 3.38 1oh5A1 HIS 585 HB3 -0.30 -0.13 0.15 -0.04 3.20 2.88 1oh5A1 HIS 585 HD2 0.01 0.09 0.03 -0.04 6.97 7.06 1oh5A1 HIS 585 HE1 -0.03 0.14 -0.06 -0.04 7.75 7.76 1oh5A1 PRO 586 HA -0.09 0.16 0.16 -0.51 4.44 4.15 1oh5A1 PRO 586 HB2 -0.03 0.06 -0.06 -0.04 2.28 2.21 1oh5A1 PRO 586 HB3 -0.19 0.10 0.07 -0.04 2.02 1.96 1oh5A1 PRO 586 HG2 -0.19 -0.02 0.01 -0.04 2.03 1.80 1oh5A1 PRO 586 HG3 -0.21 0.09 0.03 -0.04 2.03 1.90 1oh5A1 PRO 586 HD2 -0.73 -0.04 0.22 -0.04 3.68 3.09 1oh5A1 PRO 586 HD3 -0.31 0.35 0.34 -0.04 3.65 3.99 1oh5A1 VAL 587 H 0.31 -0.06 -0.46 -0.55 8.24 7.48 1oh5A1 VAL 587 HA 0.05 0.26 0.64 -0.75 4.13 4.32 1oh5A1 VAL 587 HB 0.32 -0.07 -0.03 -0.04 2.12 2.29 1oh5A1 VAL 587 HG13 0.04 0.01 -0.30 -0.04 0.97 0.68 1oh5A1 VAL 587 HG23 0.05 0.02 -0.35 -0.04 0.95 0.63 1oh5A1 VAL 588 H 0.10 0.04 -0.05 -0.55 8.24 7.78 1oh5A1 VAL 588 HA -0.05 0.03 0.32 -0.75 4.13 3.68 1oh5A1 VAL 588 HB -0.08 0.02 0.07 -0.04 2.12 2.09 1oh5A1 VAL 588 HG13 0.06 0.01 -0.06 -0.04 0.97 0.94 1oh5A1 VAL 588 HG23 -0.63 -0.01 0.03 -0.04 0.95 0.30 1oh5A1 GLU 589 H -0.20 0.40 -0.30 -0.55 8.60 7.95 1oh5A1 GLU 589 HA 0.11 -0.02 0.22 -0.75 4.29 3.85 1oh5A1 GLU 589 HB2 -0.12 -0.07 0.00 -0.04 2.09 1.86 1oh5A1 GLU 589 HB3 -0.53 0.13 -0.01 -0.04 1.99 1.55 1oh5A1 GLU 589 HG2 -0.05 0.06 -0.27 -0.04 2.34 2.04 1oh5A1 GLU 589 HG3 -0.01 0.02 -0.42 -0.04 2.34 1.90 1oh5A1 GLN 590 H 0.00 0.29 -0.59 -0.55 8.47 7.63 1oh5A1 GLN 590 HA 0.02 0.17 0.72 -0.75 4.36 4.51 1oh5A1 GLN 590 HB2 0.02 0.02 0.06 -0.04 2.15 2.21 1oh5A1 GLN 590 HB3 0.01 -0.05 0.01 -0.04 2.02 1.95 1oh5A1 GLN 590 HG2 0.02 -0.01 -0.10 -0.04 2.40 2.27 1oh5A1 GLN 590 HG3 0.03 0.01 0.03 -0.04 2.39 2.42 1oh5A1 GLN 590 HE21 0.01 0.01 -0.05 -0.04 6.97 6.90 1oh5A1 GLN 590 HE22 0.05 0.02 -0.09 -0.04 7.69 7.63 1oh5A1 VAL 591 H 0.02 0.21 0.01 -0.55 8.24 7.93 1oh5A1 VAL 591 HA 0.01 0.06 0.48 -0.75 4.13 3.93 1oh5A1 VAL 591 HB 0.01 -0.07 -0.01 -0.04 2.12 2.01 1oh5A1 VAL 591 HG13 0.01 0.02 -0.04 -0.04 0.97 0.92 1oh5A1 VAL 591 HG23 0.00 -0.00 0.04 -0.04 0.95 0.95 1oh5A1 LEU 592 H 0.04 0.30 -0.00 -0.55 8.37 8.16 1oh5A1 LEU 592 HA 0.03 -0.06 0.38 -0.75 4.35 3.94 1oh5A1 LEU 592 HB2 0.08 0.17 0.01 -0.04 1.64 1.85 1oh5A1 LEU 592 HB3 0.06 0.10 -0.12 -0.04 1.64 1.65 1oh5A1 LEU 592 HG 0.04 -0.09 0.05 -0.04 1.64 1.59 1oh5A1 LEU 592 HD13 0.02 -0.01 -0.03 -0.04 0.93 0.86 1oh5A1 LEU 592 HD23 0.03 0.01 -0.04 -0.04 0.89 0.85 1oh5A1 ASN 593 H 0.03 -0.10 0.13 -0.55 8.53 8.05 1oh5A1 ASN 593 HA 0.03 0.33 0.86 -0.75 4.76 5.23 1oh5A1 ASN 593 HB2 0.02 -0.12 0.09 -0.04 2.88 2.83 1oh5A1 ASN 593 HB3 0.02 -0.02 0.01 -0.04 2.79 2.76 1oh5A1 ASN 593 HD21 0.01 0.03 -0.04 -0.04 7.03 7.00 1oh5A1 ASN 593 HD22 0.02 -0.11 -0.00 -0.04 7.74 7.61 1oh5A1 GLU 594 H 0.04 -0.08 0.09 -0.55 8.60 8.10 1oh5A1 GLU 594 HA 0.03 0.07 0.56 -0.75 4.29 4.20 1oh5A1 GLU 594 HB2 0.04 0.11 -0.00 -0.04 2.09 2.20 1oh5A1 GLU 594 HB3 0.03 -0.05 0.11 -0.04 1.99 2.04 1oh5A1 GLU 594 HG2 0.04 -0.10 0.12 -0.04 2.34 2.36 1oh5A1 GLU 594 HG3 0.05 0.02 0.08 -0.04 2.34 2.45 1oh5A1 PRO 595 HA 0.09 0.13 0.11 -0.51 4.44 4.26 1oh5A1 PRO 595 HB2 0.05 -0.02 -0.07 -0.04 2.28 2.20 1oh5A1 PRO 595 HB3 0.06 0.05 0.07 -0.04 2.02 2.16 1oh5A1 PRO 595 HG2 0.03 -0.04 0.06 -0.04 2.03 2.04 1oh5A1 PRO 595 HG3 0.03 0.09 0.11 -0.04 2.03 2.22 1oh5A1 PRO 595 HD2 0.03 0.00 0.14 -0.04 3.68 3.81 1oh5A1 PRO 595 HD3 0.03 0.14 0.31 -0.04 3.65 4.09 1oh5A1 PHE 596 H 0.21 0.15 0.09 -0.55 8.34 8.24 1oh5A1 PHE 596 HA 0.01 0.09 0.44 -0.75 4.62 4.41 1oh5A1 PHE 596 HB2 0.02 0.07 0.05 -0.04 3.15 3.25 1oh5A1 PHE 596 HB3 0.03 0.02 0.03 -0.04 3.06 3.10 1oh5A1 PHE 596 HD2 0.01 0.04 -0.36 -0.04 7.28 6.93 1oh5A1 PHE 596 HE2 0.00 0.01 -0.01 -0.04 7.38 7.34 1oh5A1 PHE 596 HZ 0.06 -0.06 -0.02 -0.04 7.32 7.26 1oh5A1 ILE 597 H -0.60 0.13 0.15 -0.55 8.25 7.39 1oh5A1 ILE 597 HA -0.04 0.02 0.50 -0.75 4.18 3.91 1oh5A1 ILE 597 HB -0.23 0.06 0.28 -0.04 1.89 1.96 1oh5A1 ILE 597 HG12 -0.08 -0.05 0.10 -0.04 1.49 1.42 1oh5A1 ILE 597 HG13 0.01 0.13 0.05 -0.04 1.21 1.36 1oh5A1 ILE 597 HG23 -0.03 -0.01 -0.11 -0.04 0.93 0.74 1oh5A1 ILE 597 HD13 -0.01 -0.03 -0.15 -0.04 0.88 0.65 1oh5A1 ALA 598 H 0.09 0.16 0.21 -0.55 8.40 8.30 1oh5A1 ALA 598 HA 0.29 0.18 0.43 -0.75 4.34 4.48 1oh5A1 ALA 598 HB3 0.12 -0.03 -0.08 -0.04 1.41 1.38 1oh5A1 ASN 599 H 0.17 0.57 0.26 -0.55 8.53 8.98 1oh5A1 ASN 599 HA 0.05 0.17 0.94 -0.75 4.76 5.16 1oh5A1 ASN 599 HB2 0.24 -0.01 0.06 -0.04 2.88 3.12 1oh5A1 ASN 599 HB3 0.06 0.08 0.13 -0.04 2.79 3.02 1oh5A1 ASN 599 HD21 -0.07 0.28 0.01 -0.04 7.03 7.21 1oh5A1 ASN 599 HD22 0.10 -0.09 -0.02 -0.04 7.74 7.69 1oh5A1 PRO 600 HA 0.07 0.17 0.72 -0.51 4.44 4.88 1oh5A1 PRO 600 HB2 0.04 0.06 0.07 -0.04 2.28 2.41 1oh5A1 PRO 600 HB3 0.03 -0.04 0.18 -0.04 2.02 2.15 1oh5A1 PRO 600 HG2 0.03 0.01 -0.01 -0.04 2.03 2.02 1oh5A1 PRO 600 HG3 0.01 0.03 0.09 -0.04 2.03 2.13 1oh5A1 PRO 600 HD2 0.01 0.10 0.30 -0.04 3.68 4.05 1oh5A1 PRO 600 HD3 0.02 0.14 0.22 -0.04 3.65 4.00 1oh5A1 LEU 601 H 0.05 0.65 0.36 -0.55 8.37 8.89 1oh5A1 LEU 601 HA 0.15 0.05 0.24 -0.75 4.35 4.04 1oh5A1 LEU 601 HB2 0.02 0.13 0.09 -0.04 1.64 1.83 1oh5A1 LEU 601 HB3 -0.01 -0.08 0.01 -0.04 1.64 1.52 1oh5A1 LEU 601 HG -0.01 0.03 -0.27 -0.04 1.64 1.35 1oh5A1 LEU 601 HD13 0.00 -0.02 -0.07 -0.04 0.93 0.81 1oh5A1 LEU 601 HD23 -0.11 -0.00 -0.09 -0.04 0.89 0.65 1oh5A1 ASN 602 H 0.05 0.18 -0.02 -0.55 8.53 8.19 1oh5A1 ASN 602 HA 0.01 0.29 0.85 -0.75 4.76 5.16 1oh5A1 ASN 602 HB2 0.01 0.03 -0.01 -0.04 2.88 2.87 1oh5A1 ASN 602 HB3 0.02 -0.07 0.13 -0.04 2.79 2.83 1oh5A1 ASN 602 HD21 -0.00 -0.04 -0.04 -0.04 7.03 6.91 1oh5A1 ASN 602 HD22 -0.00 0.01 0.12 -0.04 7.74 7.83 1oh5A1 LEU 603 H -0.00 0.57 0.27 -0.55 8.37 8.66 1oh5A1 LEU 603 HA -0.00 0.41 0.97 -0.75 4.35 4.97 1oh5A1 LEU 603 HB2 -0.01 -0.17 0.16 -0.04 1.64 1.58 1oh5A1 LEU 603 HB3 -0.01 0.08 0.10 -0.04 1.64 1.77 1oh5A1 LEU 603 HG -0.00 -0.13 -0.10 -0.04 1.64 1.37 1oh5A1 LEU 603 HD13 -0.01 -0.01 -0.11 -0.04 0.93 0.76 1oh5A1 LEU 603 HD23 0.01 0.07 -0.04 -0.04 0.89 0.88 1oh5A1 SER 604 H -0.01 0.66 0.17 -0.55 8.46 8.73 1oh5A1 SER 604 HA -0.02 0.23 0.55 -0.75 4.49 4.50 1oh5A1 SER 604 HB2 -0.02 0.05 0.13 -0.04 3.95 4.08 1oh5A1 SER 604 HB3 -0.01 0.09 -0.45 -0.04 3.93 3.51 1oh5A1 PRO 605 HA -0.04 0.21 0.49 -0.51 4.44 4.58 1oh5A1 PRO 605 HB2 -0.03 -0.04 0.01 -0.04 2.28 2.18 1oh5A1 PRO 605 HB3 -0.05 0.07 0.13 -0.04 2.02 2.13 1oh5A1 PRO 605 HG2 -0.04 -0.04 0.10 -0.04 2.03 2.01 1oh5A1 PRO 605 HG3 -0.07 0.17 0.12 -0.04 2.03 2.21 1oh5A1 PRO 605 HD2 -0.02 -0.01 0.20 -0.04 3.68 3.80 1oh5A1 PRO 605 HD3 -0.03 0.36 0.27 -0.04 3.65 4.20 1oh5A1 GLN 606 H -0.02 0.06 -0.21 -0.55 8.47 7.76 1oh5A1 GLN 606 HA -0.02 0.20 0.78 -0.75 4.36 4.56 1oh5A1 GLN 606 HB2 -0.01 -0.02 0.02 -0.04 2.15 2.09 1oh5A1 GLN 606 HB3 -0.02 0.01 0.05 -0.04 2.02 2.02 1oh5A1 GLN 606 HG2 -0.01 -0.02 0.01 -0.04 2.40 2.34 1oh5A1 GLN 606 HG3 -0.02 0.05 0.02 -0.04 2.39 2.40 1oh5A1 GLN 606 HE21 -0.01 0.00 -0.04 -0.04 6.97 6.87 1oh5A1 GLN 606 HE22 -0.01 0.02 -0.05 -0.04 7.69 7.60 1oh5A1 ARG 607 H -0.02 0.06 -0.50 -0.55 8.46 7.45 1oh5A1 ARG 607 HA -0.02 0.22 0.61 -0.75 4.34 4.39 1oh5A1 ARG 607 HB2 -0.01 -0.02 -0.13 -0.04 1.90 1.70 1oh5A1 ARG 607 HB3 -0.01 -0.05 0.06 -0.04 1.80 1.77 1oh5A1 ARG 607 HG2 -0.00 0.03 0.01 -0.04 1.67 1.67 1oh5A1 ARG 607 HG3 -0.01 -0.01 -0.04 -0.04 1.67 1.58 1oh5A1 ARG 607 HD2 0.00 -0.06 -0.03 -0.04 3.22 3.09 1oh5A1 ARG 607 HD3 0.00 -0.02 -0.02 -0.04 3.22 3.15 1oh5A1 ARG 608 H -0.03 0.26 0.02 -0.55 8.46 8.16 1oh5A1 ARG 608 HA -0.02 0.03 0.92 -0.75 4.34 4.52 1oh5A1 ARG 608 HB2 -0.02 0.05 -0.03 -0.04 1.90 1.86 1oh5A1 ARG 608 HB3 -0.03 0.11 0.02 -0.04 1.80 1.86 1oh5A1 ARG 608 HG2 -0.04 -0.10 0.03 -0.04 1.67 1.53 1oh5A1 ARG 608 HG3 -0.04 -0.03 -0.15 -0.04 1.67 1.42 1oh5A1 ARG 608 HD2 -0.03 -0.05 -0.01 -0.04 3.22 3.08 1oh5A1 ARG 608 HD3 -0.03 0.06 -0.03 -0.04 3.22 3.18 1oh5A1 MET 609 H -0.03 0.44 0.09 -0.55 8.47 8.41 1oh5A1 MET 609 HA -0.00 0.38 1.17 -0.75 4.52 5.32 1oh5A1 MET 609 HB2 -0.05 0.08 -0.12 -0.04 2.15 2.02 1oh5A1 MET 609 HB3 -0.08 -0.05 0.02 -0.04 2.03 1.87 1oh5A1 MET 609 HG2 -0.09 -0.08 -0.47 -0.04 2.63 1.94 1oh5A1 MET 609 HG3 -0.01 0.03 -0.16 -0.04 2.56 2.38 1oh5A1 MET 609 HE3 -0.07 0.04 -0.11 -0.04 2.10 1.91 1oh5A1 LEU 610 H 0.03 0.50 0.22 -0.55 8.37 8.58 1oh5A1 LEU 610 HA 0.01 0.20 0.93 -0.75 4.35 4.73 1oh5A1 LEU 610 HB2 0.08 -0.07 0.10 -0.04 1.64 1.71 1oh5A1 LEU 610 HB3 0.07 -0.05 -0.14 -0.04 1.64 1.48 1oh5A1 LEU 610 HG 0.03 0.07 -0.17 -0.04 1.64 1.53 1oh5A1 LEU 610 HD13 0.10 -0.01 -0.12 -0.04 0.93 0.86 1oh5A1 LEU 610 HD23 0.02 0.04 -0.24 -0.04 0.89 0.68 1oh5A1 ILE 611 H -0.02 0.77 0.32 -0.55 8.25 8.78 1oh5A1 ILE 611 HA 0.09 0.19 0.80 -0.75 4.18 4.51 1oh5A1 ILE 611 HB -0.06 -0.01 0.31 -0.04 1.89 2.10 1oh5A1 ILE 611 HG12 -0.14 0.12 0.06 -0.04 1.49 1.48 1oh5A1 ILE 611 HG13 -0.20 0.06 0.05 -0.04 1.21 1.07 1oh5A1 ILE 611 HG23 -0.03 -0.00 -0.20 -0.04 0.93 0.66 1oh5A1 ILE 611 HD13 -0.32 -0.02 -0.07 -0.04 0.88 0.43 1oh5A1 ILE 612 H 0.12 0.28 -0.15 -0.55 8.25 7.95 1oh5A1 ILE 612 HA 0.07 0.28 0.53 -0.75 4.18 4.31 1oh5A1 ILE 612 HB 0.10 -0.16 0.03 -0.04 1.89 1.81 1oh5A1 ILE 612 HG12 0.20 0.07 -0.19 -0.04 1.49 1.53 1oh5A1 ILE 612 HG13 0.13 0.00 -0.36 -0.04 1.21 0.94 1oh5A1 ILE 612 HG23 0.09 0.01 -0.20 -0.04 0.93 0.79 1oh5A1 ILE 612 HD13 0.14 -0.02 -0.14 -0.04 0.88 0.82 1oh5A1 THR 613 H 0.09 0.46 0.48 -0.55 8.28 8.76 1oh5A1 THR 613 HA 0.08 0.30 1.07 -0.75 4.39 5.09 1oh5A1 THR 613 HB 0.10 -0.09 0.10 -0.04 4.32 4.39 1oh5A1 THR 613 HG23 0.03 -0.02 0.03 -0.04 1.22 1.22 1oh5A1 GLY 614 H 0.15 0.14 0.22 -0.55 8.43 8.40 1oh5A1 GLY 614 HA2 0.26 0.04 0.37 -0.51 4.01 4.17 1oh5A1 GLY 614 HA3 0.16 0.24 0.98 -0.51 4.01 4.87 1oh5A1 PRO 615 HA 0.21 -0.12 0.22 -0.51 4.44 4.24 1oh5A1 PRO 615 HB2 0.16 0.32 0.02 -0.04 2.28 2.74 1oh5A1 PRO 615 HB3 0.29 -0.04 0.14 -0.04 2.02 2.36 1oh5A1 PRO 615 HG2 0.06 0.02 -0.00 -0.04 2.03 2.06 1oh5A1 PRO 615 HG3 0.13 0.11 0.08 -0.04 2.03 2.30 1oh5A1 PRO 615 HD2 0.16 0.29 0.20 -0.04 3.68 4.29 1oh5A1 PRO 615 HD3 0.40 0.10 0.23 -0.04 3.65 4.34 1oh5A1 ASN 616 H 0.07 0.05 0.15 -0.55 8.53 8.25 1oh5A1 ASN 616 HA -0.04 -0.00 0.65 -0.75 4.76 4.62 1oh5A1 ASN 616 HB2 0.05 -0.04 0.15 -0.04 2.88 2.99 1oh5A1 ASN 616 HB3 -0.00 0.09 -0.09 -0.04 2.79 2.75 1oh5A1 ASN 616 HD21 -0.01 0.03 0.03 -0.04 7.03 7.05 1oh5A1 ASN 616 HD22 0.03 -0.07 0.07 -0.04 7.74 7.74 1oh5A1 MET 617 H -0.13 0.09 0.12 -0.55 8.47 8.00 1oh5A1 MET 617 HA -0.19 -0.01 0.25 -0.75 4.52 3.82 1oh5A1 MET 617 HB2 -0.79 0.22 0.01 -0.04 2.15 1.55 1oh5A1 MET 617 HB3 -0.31 0.04 0.15 -0.04 2.03 1.87 1oh5A1 MET 617 HG2 -0.04 0.04 -0.01 -0.04 2.63 2.57 1oh5A1 MET 617 HG3 -0.08 -0.14 -0.16 -0.04 2.56 2.14 1oh5A1 MET 617 HE3 0.20 0.01 -0.02 -0.04 2.10 2.24 1oh5A1 GLY 618 H -0.22 0.14 -0.34 -0.55 8.43 7.46 1oh5A1 GLY 618 HA2 -0.27 0.11 0.27 -0.51 4.01 3.61 1oh5A1 GLY 618 HA3 -0.09 0.10 0.17 -0.51 4.01 3.69 1oh5A1 GLY 619 H -0.04 -0.22 0.06 -0.55 8.43 7.68 1oh5A1 GLY 619 HA2 -0.03 0.01 0.15 -0.51 4.01 3.63 1oh5A1 GLY 619 HA3 0.01 0.33 0.73 -0.51 4.01 4.57 1oh5A1 LYS 620 H 0.01 -0.05 0.09 -0.55 8.42 7.92 1oh5A1 LYS 620 HA 0.10 0.19 0.25 -0.75 4.32 4.12 1oh5A1 LYS 620 HB2 0.04 -0.09 0.07 -0.04 1.87 1.85 1oh5A1 LYS 620 HB3 0.07 0.05 -0.08 -0.04 1.79 1.79 1oh5A1 LYS 620 HG2 0.05 0.10 -0.18 -0.04 1.46 1.38 1oh5A1 LYS 620 HG3 0.03 -0.09 -0.06 -0.04 1.46 1.30 1oh5A1 LYS 620 HD2 0.06 0.04 -0.26 -0.04 1.69 1.50 1oh5A1 LYS 620 HD3 0.07 0.05 -0.49 -0.04 1.68 1.27 1oh5A1 LYS 620 HE2 0.04 -0.10 -0.11 -0.04 2.99 2.78 1oh5A1 LYS 620 HE3 0.06 0.02 -0.17 -0.04 2.99 2.87 1oh5A1 SER 621 H 0.03 0.07 -0.00 -0.55 8.46 8.02 1oh5A1 SER 621 HA 0.05 0.10 0.40 -0.75 4.49 4.28 1oh5A1 SER 621 HB2 0.01 -0.01 0.02 -0.04 3.95 3.94 1oh5A1 SER 621 HB3 0.02 0.12 0.01 -0.04 3.93 4.04 1oh5A1 THR 622 H 0.05 0.03 -0.43 -0.55 8.28 7.38 1oh5A1 THR 622 HA 0.11 0.09 0.35 -0.75 4.39 4.18 1oh5A1 THR 622 HB 0.10 0.18 0.01 -0.04 4.32 4.56 1oh5A1 THR 622 HG23 0.14 0.02 -0.03 -0.04 1.22 1.31 1oh5A1 TYR 623 H 0.21 0.36 -0.29 -0.55 8.29 8.02 1oh5A1 TYR 623 HA 0.09 0.07 0.28 -0.75 4.56 4.25 1oh5A1 TYR 623 HB2 0.04 0.10 0.06 -0.04 3.06 3.21 1oh5A1 TYR 623 HB3 0.03 0.06 0.08 -0.04 2.98 3.12 1oh5A1 TYR 623 HD2 0.04 -0.02 -0.10 -0.04 7.15 7.04 1oh5A1 TYR 623 HE2 0.02 0.07 -0.10 -0.04 6.85 6.80 1oh5A1 MET 624 H 0.09 0.24 -0.45 -0.55 8.47 7.80 1oh5A1 MET 624 HA -0.11 0.10 0.61 -0.75 4.52 4.37 1oh5A1 MET 624 HB2 0.03 0.09 0.14 -0.04 2.15 2.36 1oh5A1 MET 624 HB3 -0.00 -0.03 -0.01 -0.04 2.03 1.95 1oh5A1 MET 624 HG2 0.07 0.01 -0.09 -0.04 2.63 2.58 1oh5A1 MET 624 HG3 0.06 -0.01 -0.09 -0.04 2.56 2.47 1oh5A1 MET 624 HE3 -0.02 -0.02 -0.25 -0.04 2.10 1.77 1oh5A1 ARG 625 H 0.07 0.65 0.07 -0.55 8.46 8.69 1oh5A1 ARG 625 HA 0.01 0.02 0.27 -0.75 4.34 3.88 1oh5A1 ARG 625 HB2 0.24 0.02 0.16 -0.04 1.90 2.28 1oh5A1 ARG 625 HB3 0.20 0.02 0.02 -0.04 1.80 2.00 1oh5A1 ARG 625 HG2 0.06 0.02 -0.03 -0.04 1.67 1.68 1oh5A1 ARG 625 HG3 0.06 0.03 0.08 -0.04 1.67 1.80 1oh5A1 ARG 625 HD2 0.09 -0.11 -0.06 -0.04 3.22 3.09 1oh5A1 ARG 625 HD3 0.11 0.23 0.05 -0.04 3.22 3.57 1oh5A1 GLN 626 H 0.05 0.47 -0.33 -0.55 8.47 8.12 1oh5A1 GLN 626 HA -0.31 0.05 0.46 -0.75 4.36 3.79 1oh5A1 GLN 626 HB2 -0.10 0.14 -0.34 -0.04 2.15 1.81 1oh5A1 GLN 626 HB3 0.08 -0.06 0.00 -0.04 2.02 2.00 1oh5A1 GLN 626 HG2 0.05 0.02 -0.02 -0.04 2.40 2.41 1oh5A1 GLN 626 HG3 -0.06 0.05 -0.33 -0.04 2.39 2.00 1oh5A1 GLN 626 HE21 0.24 0.31 -0.30 -0.04 6.97 7.18 1oh5A1 GLN 626 HE22 0.07 -0.03 -0.38 -0.04 7.69 7.31 1oh5A1 THR 627 H -0.13 0.27 -0.39 -0.55 8.28 7.48 1oh5A1 THR 627 HA -0.13 0.03 0.39 -0.75 4.39 3.93 1oh5A1 THR 627 HB -0.14 0.16 0.16 -0.04 4.32 4.46 1oh5A1 THR 627 HG23 -0.10 -0.03 -0.12 -0.04 1.22 0.93 1oh5A1 ALA 628 H -0.07 0.45 -0.19 -0.55 8.40 8.04 1oh5A1 ALA 628 HA -0.03 0.05 0.39 -0.75 4.34 4.00 1oh5A1 ALA 628 HB3 -0.03 0.03 0.00 -0.04 1.41 1.37 1oh5A1 LEU 629 H -0.12 0.34 -0.28 -0.55 8.37 7.76 1oh5A1 LEU 629 HA -0.08 0.08 0.46 -0.75 4.35 4.06 1oh5A1 LEU 629 HB2 -0.26 0.03 0.22 -0.04 1.64 1.58 1oh5A1 LEU 629 HB3 -0.19 -0.00 0.02 -0.04 1.64 1.43 1oh5A1 LEU 629 HG -0.13 0.02 0.04 -0.04 1.64 1.53 1oh5A1 LEU 629 HD13 -0.50 -0.03 -0.06 -0.04 0.93 0.31 1oh5A1 LEU 629 HD23 -0.09 0.03 0.01 -0.04 0.89 0.80 1oh5A1 ILE 630 H -0.12 0.56 -0.13 -0.55 8.25 8.00 1oh5A1 ILE 630 HA -0.13 0.05 0.44 -0.75 4.18 3.79 1oh5A1 ILE 630 HB -0.10 0.09 0.12 -0.04 1.89 1.96 1oh5A1 ILE 630 HG12 -0.17 -0.03 0.01 -0.04 1.49 1.26 1oh5A1 ILE 630 HG13 -0.17 0.03 0.09 -0.04 1.21 1.12 1oh5A1 ILE 630 HG23 -0.11 -0.02 -0.20 -0.04 0.93 0.55 1oh5A1 ILE 630 HD13 -0.10 -0.03 -0.10 -0.04 0.88 0.61 1oh5A1 ALA 631 H -0.04 0.43 -0.27 -0.55 8.40 7.97 1oh5A1 ALA 631 HA 0.05 0.04 0.46 -0.75 4.34 4.13 1oh5A1 ALA 631 HB3 0.06 0.03 0.02 -0.04 1.41 1.48 1oh5A1 LEU 632 H 0.00 0.46 -0.22 -0.55 8.37 8.06 1oh5A1 LEU 632 HA 0.08 0.03 0.21 -0.75 4.35 3.91 1oh5A1 LEU 632 HB2 -0.01 0.01 0.11 -0.04 1.64 1.71 1oh5A1 LEU 632 HB3 -0.02 0.02 0.16 -0.04 1.64 1.76 1oh5A1 LEU 632 HG 0.03 0.02 0.01 -0.04 1.64 1.66 1oh5A1 LEU 632 HD13 -0.04 0.02 -0.02 -0.04 0.93 0.85 1oh5A1 LEU 632 HD23 0.01 0.02 -0.20 -0.04 0.89 0.68 1oh5A1 MET 633 H -0.01 0.65 -0.22 -0.55 8.47 8.35 1oh5A1 MET 633 HA 0.06 0.02 0.30 -0.75 4.52 4.14 1oh5A1 MET 633 HB2 -0.06 0.02 0.10 -0.04 2.15 2.17 1oh5A1 MET 633 HB3 -0.00 0.06 -0.12 -0.04 2.03 1.93 1oh5A1 MET 633 HG2 0.02 -0.05 -0.02 -0.04 2.63 2.54 1oh5A1 MET 633 HG3 -0.04 0.03 0.02 -0.04 2.56 2.53 1oh5A1 MET 633 HE3 -0.02 0.04 -0.02 -0.04 2.10 2.06 1oh5A1 ALA 634 H -0.03 0.57 -0.19 -0.55 8.40 8.20 1oh5A1 ALA 634 HA -0.04 0.16 0.31 -0.75 4.34 4.01 1oh5A1 ALA 634 HB3 -0.24 -0.01 0.04 -0.04 1.41 1.16 1oh5A1 TYR 635 H 0.14 0.44 -0.57 -0.55 8.29 7.74 1oh5A1 TYR 635 HA 0.14 0.08 0.73 -0.75 4.56 4.75 1oh5A1 TYR 635 HB2 0.05 0.18 0.01 -0.04 3.06 3.26 1oh5A1 TYR 635 HB3 0.03 -0.05 0.07 -0.04 2.98 2.98 1oh5A1 TYR 635 HD2 0.04 0.09 -0.03 -0.04 7.15 7.21 1oh5A1 TYR 635 HE2 -0.00 -0.01 -0.10 -0.04 6.85 6.69 1oh5A1 ILE 636 H 0.13 0.52 -0.31 -0.55 8.25 8.04 1oh5A1 ILE 636 HA 0.04 0.07 0.58 -0.75 4.18 4.11 1oh5A1 ILE 636 HB 0.32 -0.12 0.07 -0.04 1.89 2.13 1oh5A1 ILE 636 HG12 0.14 0.03 0.05 -0.04 1.49 1.66 1oh5A1 ILE 636 HG13 0.18 -0.08 -0.07 -0.04 1.21 1.19 1oh5A1 ILE 636 HG23 0.14 0.09 -0.19 -0.04 0.93 0.92 1oh5A1 ILE 636 HD13 0.26 -0.03 -0.06 -0.04 0.88 1.01 1oh5A1 GLY 637 H 0.13 0.34 -0.20 -0.55 8.43 8.15 1oh5A1 GLY 637 HA2 0.16 0.05 0.33 -0.51 4.01 4.05 1oh5A1 GLY 637 HA3 0.12 -0.03 0.48 -0.51 4.01 4.07 1oh5A1 SER 638 H 0.16 0.14 -0.35 -0.55 8.46 7.87 1oh5A1 SER 638 HA 0.16 -0.01 0.34 -0.75 4.49 4.22 1oh5A1 SER 638 HB2 0.16 -0.06 0.01 -0.04 3.95 4.02 1oh5A1 SER 638 HB3 0.13 0.07 -0.05 -0.04 3.93 4.03 1oh5A1 TYR 639 H 0.24 0.07 0.07 -0.55 8.29 8.13 1oh5A1 TYR 639 HA 0.03 0.18 0.69 -0.75 4.56 4.71 1oh5A1 TYR 639 HB2 0.19 -0.01 -0.05 -0.04 3.06 3.15 1oh5A1 TYR 639 HB3 0.15 -0.03 -0.28 -0.04 2.98 2.77 1oh5A1 TYR 639 HD2 0.07 0.16 -0.26 -0.04 7.15 7.08 1oh5A1 TYR 639 HE2 0.05 0.02 0.04 -0.04 6.85 6.92 1oh5A1 VAL 640 H 0.06 0.51 0.19 -0.55 8.24 8.46 1oh5A1 VAL 640 HA -0.28 0.18 0.59 -0.75 4.13 3.87 1oh5A1 VAL 640 HB -0.12 0.12 0.06 -0.04 2.12 2.13 1oh5A1 VAL 640 HG13 -0.15 -0.04 -0.32 -0.04 0.97 0.42 1oh5A1 VAL 640 HG23 -0.12 0.01 -0.18 -0.04 0.95 0.62 1oh5A1 PRO 641 HA -0.23 0.25 0.62 -0.51 4.44 4.57 1oh5A1 PRO 641 HB2 -0.21 -0.05 0.12 -0.04 2.28 2.10 1oh5A1 PRO 641 HB3 -0.53 0.09 0.03 -0.04 2.02 1.57 1oh5A1 PRO 641 HG2 -0.26 0.02 0.20 -0.04 2.03 1.96 1oh5A1 PRO 641 HG3 -0.36 -0.02 0.09 -0.04 2.03 1.70 1oh5A1 PRO 641 HD2 -0.30 0.04 0.13 -0.04 3.68 3.50 1oh5A1 PRO 641 HD3 -0.64 0.19 0.15 -0.04 3.65 3.31 1oh5A1 ALA 642 H -0.05 0.53 0.30 -0.55 8.40 8.63 1oh5A1 ALA 642 HA -0.01 0.30 0.33 -0.75 4.34 4.21 1oh5A1 ALA 642 HB3 -0.06 0.01 -0.19 -0.04 1.41 1.14 1oh5A1 GLN 643 H 0.00 0.40 0.19 -0.55 8.47 8.51 1oh5A1 GLN 643 HA 0.00 0.11 0.69 -0.75 4.36 4.41 1oh5A1 GLN 643 HB2 0.01 0.07 0.05 -0.04 2.15 2.23 1oh5A1 GLN 643 HB3 -0.01 -0.05 -0.10 -0.04 2.02 1.82 1oh5A1 GLN 643 HG2 0.01 -0.02 0.03 -0.04 2.40 2.37 1oh5A1 GLN 643 HG3 0.02 0.06 0.03 -0.04 2.39 2.45 1oh5A1 GLN 643 HE21 0.01 -0.05 -0.04 -0.04 6.97 6.85 1oh5A1 GLN 643 HE22 0.00 0.00 -0.06 -0.04 7.69 7.60 1oh5A1 LYS 644 H -0.03 0.26 0.06 -0.55 8.42 8.16 1oh5A1 LYS 644 HA -0.07 0.19 0.57 -0.75 4.32 4.25 1oh5A1 LYS 644 HB2 -0.03 0.00 -0.28 -0.04 1.87 1.52 1oh5A1 LYS 644 HB3 -0.04 -0.08 0.01 -0.04 1.79 1.65 1oh5A1 LYS 644 HG2 -0.07 0.05 -0.10 -0.04 1.46 1.30 1oh5A1 LYS 644 HG3 -0.05 0.05 0.00 -0.04 1.46 1.42 1oh5A1 LYS 644 HD2 -0.03 -0.05 -0.08 -0.04 1.69 1.49 1oh5A1 LYS 644 HD3 -0.04 -0.00 -0.13 -0.04 1.68 1.46 1oh5A1 LYS 644 HE2 -0.04 0.02 -0.06 -0.04 2.99 2.87 1oh5A1 LYS 644 HE3 -0.03 0.02 -0.04 -0.04 2.99 2.90 1oh5A1 VAL 645 H -0.12 0.31 0.05 -0.55 8.24 7.93 1oh5A1 VAL 645 HA -0.08 0.29 1.03 -0.75 4.13 4.61 1oh5A1 VAL 645 HB -0.16 0.05 0.01 -0.04 2.12 1.98 1oh5A1 VAL 645 HG13 -0.15 -0.01 -0.28 -0.04 0.97 0.49 1oh5A1 VAL 645 HG23 -0.09 -0.03 -0.25 -0.04 0.95 0.54 1oh5A1 GLU 646 H -0.08 0.37 0.11 -0.55 8.60 8.45 1oh5A1 GLU 646 HA -0.15 0.29 0.98 -0.75 4.29 4.66 1oh5A1 GLU 646 HB2 -0.05 0.01 0.16 -0.04 2.09 2.16 1oh5A1 GLU 646 HB3 -0.05 -0.02 -0.06 -0.04 1.99 1.82 1oh5A1 GLU 646 HG2 -0.08 0.07 -0.07 -0.04 2.34 2.22 1oh5A1 GLU 646 HG3 -0.06 -0.02 -0.23 -0.04 2.34 1.99 1oh5A1 ILE 647 H -0.21 0.66 0.23 -0.55 8.25 8.38 1oh5A1 ILE 647 HA -0.01 0.19 1.07 -0.75 4.18 4.67 1oh5A1 ILE 647 HB -0.11 -0.15 -0.18 -0.04 1.89 1.42 1oh5A1 ILE 647 HG12 0.19 0.35 -0.10 -0.04 1.49 1.89 1oh5A1 ILE 647 HG13 0.04 -0.04 0.10 -0.04 1.21 1.26 1oh5A1 ILE 647 HG23 -0.29 0.02 -0.05 -0.04 0.93 0.57 1oh5A1 ILE 647 HD13 0.08 -0.02 -0.07 -0.04 0.88 0.82 1oh5A1 GLY 648 H 0.05 0.44 0.21 -0.55 8.43 8.59 1oh5A1 GLY 648 HA2 0.16 -0.07 0.59 -0.51 4.01 4.18 1oh5A1 GLY 648 HA3 0.08 0.22 0.31 -0.51 4.01 4.11 1oh5A1 PRO 649 HA 0.17 0.09 0.30 -0.51 4.44 4.49 1oh5A1 PRO 649 HB2 0.29 -0.05 -0.09 -0.04 2.28 2.39 1oh5A1 PRO 649 HB3 0.15 0.02 0.07 -0.04 2.02 2.22 1oh5A1 PRO 649 HG2 0.18 -0.05 -0.08 -0.04 2.03 2.04 1oh5A1 PRO 649 HG3 0.24 0.11 0.01 -0.04 2.03 2.35 1oh5A1 PRO 649 HD2 0.06 0.12 -0.44 -0.04 3.68 3.37 1oh5A1 PRO 649 HD3 0.14 0.30 -0.02 -0.04 3.65 4.02 1oh5A1 ILE 650 H -0.11 0.22 0.05 -0.55 8.25 7.87 1oh5A1 ILE 650 HA 0.08 0.47 0.83 -0.75 4.18 4.81 1oh5A1 ILE 650 HB -0.16 0.00 0.00 -0.04 1.89 1.70 1oh5A1 ILE 650 HG12 0.09 0.19 -0.19 -0.04 1.49 1.54 1oh5A1 ILE 650 HG13 0.19 0.20 -0.45 -0.04 1.21 1.11 1oh5A1 ILE 650 HG23 0.00 -0.02 -0.24 -0.04 0.93 0.63 1oh5A1 ILE 650 HD13 0.11 -0.05 -0.12 -0.04 0.88 0.79 1oh5A1 ASP 651 H 0.10 0.15 -0.07 -0.55 8.40 8.03 1oh5A1 ASP 651 HA -0.07 0.18 0.77 -0.75 4.63 4.77 1oh5A1 ASP 651 HB2 -0.03 0.02 0.06 -0.04 2.71 2.72 1oh5A1 ASP 651 HB3 -0.06 0.00 0.05 -0.04 2.70 2.65 1oh5A1 ARG 652 H 0.06 -0.00 0.11 -0.55 8.46 8.08 1oh5A1 ARG 652 HA -0.12 0.20 0.97 -0.75 4.34 4.64 1oh5A1 ARG 652 HB2 0.11 -0.12 0.07 -0.04 1.90 1.92 1oh5A1 ARG 652 HB3 -0.60 0.05 -0.00 -0.04 1.80 1.22 1oh5A1 ARG 652 HG2 -0.15 0.07 0.02 -0.04 1.67 1.56 1oh5A1 ARG 652 HG3 -0.03 -0.06 -0.12 -0.04 1.67 1.42 1oh5A1 ARG 652 HD2 0.09 0.01 -0.01 -0.04 3.22 3.26 1oh5A1 ARG 652 HD3 0.30 0.02 -0.07 -0.04 3.22 3.43 1oh5A1 ILE 653 H -0.20 0.54 0.22 -0.55 8.25 8.26 1oh5A1 ILE 653 HA 0.02 0.28 0.89 -0.75 4.18 4.62 1oh5A1 ILE 653 HB -0.07 -0.04 0.08 -0.04 1.89 1.81 1oh5A1 ILE 653 HG12 0.01 0.00 0.05 -0.04 1.49 1.52 1oh5A1 ILE 653 HG13 -0.03 -0.02 -0.33 -0.04 1.21 0.79 1oh5A1 ILE 653 HG23 0.00 0.01 -0.07 -0.04 0.93 0.83 1oh5A1 ILE 653 HD13 -0.00 0.01 -0.09 -0.04 0.88 0.76 1oh5A1 PHE 654 H 0.24 0.52 0.28 -0.55 8.34 8.83 1oh5A1 PHE 654 HA 0.00 0.05 0.92 -0.75 4.62 4.84 1oh5A1 PHE 654 HB2 0.00 0.00 0.03 -0.04 3.15 3.15 1oh5A1 PHE 654 HB3 0.00 -0.06 0.05 -0.04 3.06 3.01 1oh5A1 PHE 654 HD2 0.01 0.02 -0.13 -0.04 7.28 7.13 1oh5A1 PHE 654 HE2 0.02 -0.02 -0.14 -0.04 7.38 7.20 1oh5A1 PHE 654 HZ 0.02 0.08 -0.28 -0.04 7.32 7.10 1oh5A1 THR 655 H 0.16 0.18 0.11 -0.55 8.28 8.17 1oh5A1 THR 655 HA 0.05 0.37 0.73 -0.75 4.39 4.79 1oh5A1 THR 655 HB 0.03 -0.20 -0.27 -0.04 4.32 3.84 1oh5A1 THR 655 HG23 0.02 0.00 -0.34 -0.04 1.22 0.86 1oh5A1 ARG 656 H 0.00 0.66 0.32 -0.55 8.46 8.89 1oh5A1 ARG 656 HA 0.02 0.12 0.65 -0.75 4.34 4.37 1oh5A1 ARG 656 HB2 -0.02 0.01 0.07 -0.04 1.90 1.92 1oh5A1 ARG 656 HB3 -0.03 -0.04 -0.05 -0.04 1.80 1.64 1oh5A1 ARG 656 HG2 0.02 0.06 0.06 -0.04 1.67 1.76 1oh5A1 ARG 656 HG3 0.01 -0.00 -0.15 -0.04 1.67 1.48 1oh5A1 ARG 656 HD2 0.01 0.00 -0.04 -0.04 3.22 3.16 1oh5A1 ARG 656 HD3 0.00 -0.07 -0.09 -0.04 3.22 3.02 1oh5A1 VAL 657 H 0.01 0.24 0.00 -0.55 8.24 7.95 1oh5A1 VAL 657 HA -0.01 0.16 0.89 -0.75 4.13 4.42 1oh5A1 VAL 657 HB 0.01 -0.01 0.10 -0.04 2.12 2.19 1oh5A1 VAL 657 HG13 0.01 0.03 -0.12 -0.04 0.97 0.85 1oh5A1 VAL 657 HG23 0.01 -0.02 -0.16 -0.04 0.95 0.74 1oh5A1 GLY 658 H 0.01 0.55 0.04 -0.55 8.43 8.47 1oh5A1 GLY 658 HA2 0.04 0.03 0.27 -0.51 4.01 3.84 1oh5A1 GLY 658 HA3 0.04 0.20 0.27 -0.51 4.01 4.02 1oh5A1 PHE 670 HA 0.02 0.06 0.15 -0.75 4.62 4.10 1oh5A1 PHE 670 HB2 0.02 0.02 0.14 -0.04 3.15 3.29 1oh5A1 PHE 670 HB3 0.02 0.09 0.09 -0.04 3.06 3.22 1oh5A1 PHE 670 HD2 0.01 0.03 0.08 -0.04 7.28 7.36 1oh5A1 PHE 670 HE2 0.01 0.09 0.02 -0.04 7.38 7.46 1oh5A1 PHE 670 HZ 0.01 0.11 0.01 -0.04 7.32 7.40 1oh5A1 MET 671 H -0.33 0.20 0.12 -0.55 8.47 7.91 1oh5A1 MET 671 HA -0.13 0.07 0.34 -0.75 4.52 4.04 1oh5A1 MET 671 HB2 -0.08 0.02 0.14 -0.04 2.15 2.20 1oh5A1 MET 671 HB3 -0.34 0.04 0.06 -0.04 2.03 1.75 1oh5A1 MET 671 HG2 -0.06 0.05 0.03 -0.04 2.63 2.61 1oh5A1 MET 671 HG3 -0.12 0.00 0.02 -0.04 2.56 2.42 1oh5A1 MET 671 HE3 0.00 0.01 0.01 -0.04 2.10 2.08 1oh5A1 VAL 672 H -1.05 0.10 -0.30 -0.55 8.24 6.44 1oh5A1 VAL 672 HA -0.19 0.15 0.79 -0.75 4.13 4.12 1oh5A1 VAL 672 HB -0.32 0.03 0.04 -0.04 2.12 1.83 1oh5A1 VAL 672 HG13 -0.06 0.02 -0.06 -0.04 0.97 0.83 1oh5A1 VAL 672 HG23 -0.28 0.01 -0.05 -0.04 0.95 0.59 1oh5A1 GLU 673 H -0.16 0.20 -0.09 -0.55 8.60 8.01 1oh5A1 GLU 673 HA 0.00 0.06 0.42 -0.75 4.29 4.02 1oh5A1 GLU 673 HB2 0.06 0.29 0.18 -0.04 2.09 2.58 1oh5A1 GLU 673 HB3 0.05 -0.09 -0.04 -0.04 1.99 1.87 1oh5A1 GLU 673 HG2 0.08 -0.02 -0.28 -0.04 2.34 2.08 1oh5A1 GLU 673 HG3 0.18 0.02 0.10 -0.04 2.34 2.60 1oh5A1 MET 674 H -0.06 0.42 -0.22 -0.55 8.47 8.07 1oh5A1 MET 674 HA 0.00 0.06 0.38 -0.75 4.52 4.21 1oh5A1 MET 674 HB2 -0.03 0.03 0.02 -0.04 2.15 2.14 1oh5A1 MET 674 HB3 -0.00 -0.01 -0.03 -0.04 2.03 1.95 1oh5A1 MET 674 HG2 0.02 0.11 0.04 -0.04 2.63 2.75 1oh5A1 MET 674 HG3 0.01 -0.01 -0.05 -0.04 2.56 2.47 1oh5A1 MET 674 HE3 0.06 -0.03 0.05 -0.04 2.10 2.14 1oh5A1 THR 675 H -0.06 0.28 -0.20 -0.55 8.28 7.75 1oh5A1 THR 675 HA -0.00 0.03 0.51 -0.75 4.39 4.17 1oh5A1 THR 675 HB -0.06 0.08 0.22 -0.04 4.32 4.52 1oh5A1 THR 675 HG23 -0.01 -0.01 -0.11 -0.04 1.22 1.05 1oh5A1 GLU 676 H -0.02 0.51 -0.33 -0.55 8.60 8.21 1oh5A1 GLU 676 HA 0.02 -0.02 0.36 -0.75 4.29 3.90 1oh5A1 GLU 676 HB2 0.00 0.17 0.14 -0.04 2.09 2.37 1oh5A1 GLU 676 HB3 0.02 -0.03 -0.01 -0.04 1.99 1.94 1oh5A1 GLU 676 HG2 0.02 -0.08 0.06 -0.04 2.34 2.29 1oh5A1 GLU 676 HG3 -0.00 0.14 0.05 -0.04 2.34 2.48 1oh5A1 THR 677 H -0.00 0.32 -0.36 -0.55 8.28 7.68 1oh5A1 THR 677 HA -0.02 0.03 0.52 -0.75 4.39 4.16 1oh5A1 THR 677 HB -0.00 0.14 0.17 -0.04 4.32 4.59 1oh5A1 THR 677 HG23 -0.01 -0.01 -0.12 -0.04 1.22 1.04 1oh5A1 ALA 678 H -0.02 0.52 -0.03 -0.55 8.40 8.33 1oh5A1 ALA 678 HA -0.17 0.04 0.46 -0.75 4.34 3.92 1oh5A1 ALA 678 HB3 0.03 0.03 0.10 -0.04 1.41 1.53 1oh5A1 ASN 679 H 0.02 0.48 -0.26 -0.55 8.53 8.22 1oh5A1 ASN 679 HA 0.12 0.02 0.38 -0.75 4.76 4.53 1oh5A1 ASN 679 HB2 0.08 -0.05 0.06 -0.04 2.88 2.93 1oh5A1 ASN 679 HB3 0.07 0.21 0.12 -0.04 2.79 3.14 1oh5A1 ASN 679 HD21 0.31 -0.04 -0.11 -0.04 7.03 7.15 1oh5A1 ASN 679 HD22 0.20 0.11 -0.05 -0.04 7.74 7.95 1oh5A1 ILE 680 H -0.06 0.33 -0.25 -0.55 8.25 7.72 1oh5A1 ILE 680 HA -0.76 0.02 0.47 -0.75 4.18 3.16 1oh5A1 ILE 680 HB -0.15 0.15 0.15 -0.04 1.89 1.99 1oh5A1 ILE 680 HG12 -0.09 -0.08 -0.01 -0.04 1.49 1.27 1oh5A1 ILE 680 HG13 0.02 0.17 0.08 -0.04 1.21 1.44 1oh5A1 ILE 680 HG23 -0.41 -0.00 -0.17 -0.04 0.93 0.30 1oh5A1 ILE 680 HD13 0.02 -0.02 -0.15 -0.04 0.88 0.68 1oh5A1 LEU 681 H -0.17 0.51 -0.13 -0.55 8.37 8.03 1oh5A1 LEU 681 HA -0.16 0.03 0.15 -0.75 4.35 3.61 1oh5A1 LEU 681 HB2 -0.31 0.03 0.14 -0.04 1.64 1.46 1oh5A1 LEU 681 HB3 -0.23 -0.01 0.02 -0.04 1.64 1.37 1oh5A1 LEU 681 HG -0.11 0.15 0.01 -0.04 1.64 1.65 1oh5A1 LEU 681 HD13 -0.09 -0.03 -0.06 -0.04 0.93 0.71 1oh5A1 LEU 681 HD23 -0.08 -0.02 -0.07 -0.04 0.89 0.68 1oh5A1 HIS 682 H -0.09 0.24 -0.49 -0.55 8.41 7.53 1oh5A1 HIS 682 HA -0.02 0.12 0.65 -0.75 4.63 4.62 1oh5A1 HIS 682 HB2 -0.01 0.02 0.10 -0.04 3.26 3.33 1oh5A1 HIS 682 HB3 -0.00 -0.06 0.02 -0.04 3.20 3.12 1oh5A1 HIS 682 HD2 -0.01 0.05 -0.01 -0.04 6.97 6.95 1oh5A1 HIS 682 HE1 -0.01 -0.08 -0.03 -0.04 7.75 7.59 1oh5A1 ASN 683 H -0.03 0.28 -0.09 -0.55 8.53 8.13 1oh5A1 ASN 683 HA 0.08 0.21 0.91 -0.75 4.76 5.20 1oh5A1 ASN 683 HB2 0.19 0.16 0.10 -0.04 2.88 3.28 1oh5A1 ASN 683 HB3 0.23 -0.08 0.06 -0.04 2.79 2.95 1oh5A1 ASN 683 HD21 0.09 -0.08 -0.07 -0.04 7.03 6.92 1oh5A1 ASN 683 HD22 0.13 0.21 0.02 -0.04 7.74 8.05 1oh5A1 ALA 684 H -0.22 0.49 0.09 -0.55 8.40 8.22 1oh5A1 ALA 684 HA 0.08 -0.07 0.51 -0.75 4.34 4.10 1oh5A1 ALA 684 HB3 -0.32 -0.01 0.02 -0.04 1.41 1.06 1oh5A1 THR 685 H 0.13 0.02 0.24 -0.55 8.28 8.12 1oh5A1 THR 685 HA 0.06 0.33 0.78 -0.75 4.39 4.80 1oh5A1 THR 685 HB 0.11 -0.01 0.20 -0.04 4.32 4.58 1oh5A1 THR 685 HG23 0.07 0.05 -0.11 -0.04 1.22 1.19 1oh5A1 GLU 686 H 0.16 0.16 0.15 -0.55 8.60 8.53 1oh5A1 GLU 686 HA 0.03 0.31 0.09 -0.75 4.29 3.96 1oh5A1 GLU 686 HB2 0.16 -0.12 0.12 -0.04 2.09 2.21 1oh5A1 GLU 686 HB3 -0.04 0.05 0.19 -0.04 1.99 2.15 1oh5A1 GLU 686 HG2 0.02 0.44 0.15 -0.04 2.34 2.91 1oh5A1 GLU 686 HG3 0.07 -0.13 0.14 -0.04 2.34 2.38 1oh5A1 TYR 687 H 0.32 -0.13 -0.70 -0.55 8.29 7.22 1oh5A1 TYR 687 HA 0.02 0.30 0.76 -0.75 4.56 4.88 1oh5A1 TYR 687 HB2 0.02 -0.10 -0.01 -0.04 3.06 2.93 1oh5A1 TYR 687 HB3 0.00 -0.05 -0.03 -0.04 2.98 2.87 1oh5A1 TYR 687 HD2 0.01 -0.09 -0.14 -0.04 7.15 6.89 1oh5A1 TYR 687 HE2 0.01 0.03 -0.01 -0.04 6.85 6.84 1oh5A1 SER 688 H 0.14 0.52 -0.00 -0.55 8.46 8.57 1oh5A1 SER 688 HA 0.14 0.18 0.73 -0.75 4.49 4.78 1oh5A1 SER 688 HB2 0.15 0.11 0.20 -0.04 3.95 4.37 1oh5A1 SER 688 HB3 0.36 0.04 -0.03 -0.04 3.93 4.26 1oh5A1 LEU 689 H 0.10 0.49 0.35 -0.55 8.37 8.77 1oh5A1 LEU 689 HA 0.06 0.32 0.94 -0.75 4.35 4.92 1oh5A1 LEU 689 HB2 0.05 0.07 0.03 -0.04 1.64 1.75 1oh5A1 LEU 689 HB3 0.05 0.00 0.23 -0.04 1.64 1.88 1oh5A1 LEU 689 HG 0.03 -0.10 -0.24 -0.04 1.64 1.30 1oh5A1 LEU 689 HD13 0.01 0.03 -0.12 -0.04 0.93 0.80 1oh5A1 LEU 689 HD23 0.01 0.00 -0.12 -0.04 0.89 0.74 1oh5A1 VAL 690 H 0.07 0.89 0.30 -0.55 8.24 8.95 1oh5A1 VAL 690 HA 0.17 0.01 0.85 -0.75 4.13 4.41 1oh5A1 VAL 690 HB 0.05 0.02 0.03 -0.04 2.12 2.18 1oh5A1 VAL 690 HG13 0.01 -0.04 -0.30 -0.04 0.97 0.60 1oh5A1 VAL 690 HG23 0.02 0.03 -0.25 -0.04 0.95 0.70 1oh5A1 LEU 691 H 0.08 0.50 0.10 -0.55 8.37 8.50 1oh5A1 LEU 691 HA 0.01 0.30 1.10 -0.75 4.35 5.00 1oh5A1 LEU 691 HB2 0.01 -0.06 0.21 -0.04 1.64 1.76 1oh5A1 LEU 691 HB3 -0.00 -0.05 0.02 -0.04 1.64 1.57 1oh5A1 LEU 691 HG 0.03 0.16 -0.00 -0.04 1.64 1.78 1oh5A1 LEU 691 HD13 -0.01 -0.03 -0.13 -0.04 0.93 0.73 1oh5A1 LEU 691 HD23 0.00 -0.01 -0.35 -0.04 0.89 0.49 1oh5A1 MET 692 H -0.10 0.68 0.27 -0.55 8.47 8.78 1oh5A1 MET 692 HA -0.13 0.12 0.96 -0.75 4.52 4.72 1oh5A1 MET 692 HB2 -0.92 -0.02 0.17 -0.04 2.15 1.34 1oh5A1 MET 692 HB3 -0.41 -0.08 0.01 -0.04 2.03 1.51 1oh5A1 MET 692 HG2 -0.06 0.06 -0.29 -0.04 2.63 2.30 1oh5A1 MET 692 HG3 -0.09 0.02 -0.12 -0.04 2.56 2.33 1oh5A1 MET 692 HE3 -0.04 -0.01 -0.08 -0.04 2.10 1.92 1oh5A1 ASP 693 H -0.08 0.78 0.21 -0.55 8.40 8.75 1oh5A1 ASP 693 HA -0.08 0.04 0.83 -0.75 4.63 4.66 1oh5A1 ASP 693 HB2 -0.02 0.05 0.09 -0.04 2.71 2.78 1oh5A1 ASP 693 HB3 -0.02 -0.06 0.28 -0.04 2.70 2.86 1oh5A1 GLU 694 H -0.13 0.63 0.24 -0.55 8.60 8.79 1oh5A1 GLU 694 HA -0.19 0.11 0.49 -0.75 4.29 3.95 1oh5A1 GLU 694 HB2 0.12 0.01 0.24 -0.04 2.09 2.42 1oh5A1 GLU 694 HB3 -0.18 -0.17 0.12 -0.04 1.99 1.72 1oh5A1 GLU 694 HG2 -0.01 0.01 -0.16 -0.04 2.34 2.14 1oh5A1 GLU 694 HG3 0.03 0.07 -0.30 -0.04 2.34 2.11 1oh5A1 ILE 695 H -0.21 0.14 -0.17 -0.55 8.25 7.47 1oh5A1 ILE 695 HA 0.03 0.17 0.79 -0.75 4.18 4.41 1oh5A1 ILE 695 HB 0.02 -0.06 0.02 -0.04 1.89 1.83 1oh5A1 ILE 695 HG12 -0.25 0.04 -0.09 -0.04 1.49 1.15 1oh5A1 ILE 695 HG13 0.03 -0.02 -0.31 -0.04 1.21 0.87 1oh5A1 ILE 695 HG23 -0.10 0.00 -0.22 -0.04 0.93 0.57 1oh5A1 ILE 695 HD13 0.08 -0.00 -0.11 -0.04 0.88 0.80 1oh5A1 GLY 696 H 0.12 0.10 -0.02 -0.55 8.43 8.08 1oh5A1 GLY 696 HA2 0.16 0.06 0.33 -0.51 4.01 4.05 1oh5A1 GLY 696 HA3 0.34 0.15 0.70 -0.51 4.01 4.69 1oh5A1 ARG 697 H 0.12 0.24 0.11 -0.55 8.46 8.38 1oh5A1 ARG 697 HA 0.15 0.16 0.88 -0.75 4.34 4.78 1oh5A1 ARG 697 HB2 0.12 0.02 -0.10 -0.04 1.90 1.90 1oh5A1 ARG 697 HB3 0.10 -0.01 0.15 -0.04 1.80 2.01 1oh5A1 ARG 697 HG2 0.10 0.03 -0.04 -0.04 1.67 1.71 1oh5A1 ARG 697 HG3 0.09 0.09 -0.03 -0.04 1.67 1.78 1oh5A1 ARG 697 HD2 0.08 0.01 -0.00 -0.04 3.22 3.26 1oh5A1 ARG 697 HD3 0.08 -0.01 -0.07 -0.04 3.22 3.18 1oh5A1 GLY 698 H 0.10 0.22 0.13 -0.55 8.43 8.33 1oh5A1 GLY 698 HA2 0.06 0.26 0.79 -0.51 4.01 4.61 1oh5A1 GLY 698 HA3 0.05 -0.21 0.32 -0.51 4.01 3.67 1oh5A1 THR 699 H 0.04 0.07 0.17 -0.55 8.28 8.01 1oh5A1 THR 699 HA 0.03 0.27 0.88 -0.75 4.39 4.82 1oh5A1 THR 699 HB 0.02 0.06 0.16 -0.04 4.32 4.52 1oh5A1 THR 699 HG23 0.04 0.01 -0.05 -0.04 1.22 1.18 1oh5A1 SER 700 H 0.02 -0.07 0.06 -0.55 8.46 7.92 1oh5A1 SER 700 HA -0.00 0.32 0.81 -0.75 4.49 4.86 1oh5A1 SER 700 HB2 0.01 0.11 -0.06 -0.04 3.95 3.97 1oh5A1 SER 700 HB3 0.02 -0.20 0.05 -0.04 3.93 3.76 1oh5A1 THR 701 H -0.06 0.21 0.13 -0.55 8.28 8.02 1oh5A1 THR 701 HA -0.15 0.13 0.40 -0.75 4.39 4.02 1oh5A1 THR 701 HB -0.38 -0.06 0.12 -0.04 4.32 3.97 1oh5A1 THR 701 HG23 -0.73 0.02 -0.04 -0.04 1.22 0.43 1oh5A1 TYR 702 H 0.02 -0.03 -0.13 -0.55 8.29 7.60 1oh5A1 TYR 702 HA -0.06 0.21 0.68 -0.75 4.56 4.64 1oh5A1 TYR 702 HB2 -0.04 -0.00 -0.02 -0.04 3.06 2.96 1oh5A1 TYR 702 HB3 -0.07 0.05 -0.07 -0.04 2.98 2.86 1oh5A1 TYR 702 HD2 -0.05 -0.02 -0.03 -0.04 7.15 7.01 1oh5A1 TYR 702 HE2 -0.00 0.03 -0.03 -0.04 6.85 6.80 1oh5A1 ASP 703 H 0.08 0.04 -0.00 -0.55 8.40 7.96 1oh5A1 ASP 703 HA 0.04 0.15 0.47 -0.75 4.63 4.53 1oh5A1 ASP 703 HB2 0.03 0.06 -0.05 -0.04 2.71 2.72 1oh5A1 ASP 703 HB3 0.04 -0.01 0.08 -0.04 2.70 2.78 1oh5A1 GLY 704 H 0.04 0.22 -0.26 -0.55 8.43 7.89 1oh5A1 GLY 704 HA2 0.07 0.15 -0.10 -0.51 4.01 3.61 1oh5A1 GLY 704 HA3 0.10 0.05 -0.24 -0.51 4.01 3.41 1oh5A1 LEU 705 H -0.12 0.12 -0.21 -0.55 8.37 7.62 1oh5A1 LEU 705 HA -0.29 0.10 0.54 -0.75 4.35 3.94 1oh5A1 LEU 705 HB2 -1.23 0.01 0.12 -0.04 1.64 0.50 1oh5A1 LEU 705 HB3 -0.20 0.05 0.15 -0.04 1.64 1.60 1oh5A1 LEU 705 HG -0.04 0.08 -0.35 -0.04 1.64 1.29 1oh5A1 LEU 705 HD13 0.01 -0.02 -0.01 -0.04 0.93 0.87 1oh5A1 LEU 705 HD23 0.04 -0.01 -0.01 -0.04 0.89 0.88 1oh5A1 SER 706 H -0.00 0.58 -0.19 -0.55 8.46 8.30 1oh5A1 SER 706 HA -0.01 0.02 0.35 -0.75 4.49 4.09 1oh5A1 SER 706 HB2 0.01 0.20 0.21 -0.04 3.95 4.33 1oh5A1 SER 706 HB3 -0.02 -0.02 0.00 -0.04 3.93 3.85 1oh5A1 LEU 707 H 0.05 0.35 -0.22 -0.55 8.37 8.00 1oh5A1 LEU 707 HA 0.07 0.08 0.56 -0.75 4.35 4.31 1oh5A1 LEU 707 HB2 0.06 0.03 0.08 -0.04 1.64 1.77 1oh5A1 LEU 707 HB3 0.08 0.04 0.03 -0.04 1.64 1.75 1oh5A1 LEU 707 HG 0.05 -0.01 0.00 -0.04 1.64 1.64 1oh5A1 LEU 707 HD13 0.04 0.00 -0.01 -0.04 0.93 0.92 1oh5A1 LEU 707 HD23 0.05 -0.00 -0.05 -0.04 0.89 0.85 1oh5A1 ALA 708 H 0.12 0.46 -0.08 -0.55 8.40 8.35 1oh5A1 ALA 708 HA 0.21 0.01 0.39 -0.75 4.34 4.19 1oh5A1 ALA 708 HB3 0.28 0.00 0.10 -0.04 1.41 1.75 1oh5A1 TRP 709 H 0.26 0.63 -0.20 -0.55 7.97 8.12 1oh5A1 TRP 709 HA -0.08 0.04 0.41 -0.75 4.62 4.23 1oh5A1 TRP 709 HB2 -0.05 -0.06 0.01 -0.04 3.23 3.08 1oh5A1 TRP 709 HB3 -0.04 0.09 0.12 -0.04 3.23 3.36 1oh5A1 TRP 709 HD1 -0.05 0.04 -0.55 -0.04 7.22 6.63 1oh5A1 TRP 709 HE1 -0.05 0.02 -0.08 -0.04 10.20 10.05 1oh5A1 TRP 709 HE3 -0.05 -0.10 -0.17 -0.04 7.59 7.23 1oh5A1 TRP 709 HZ2 -0.05 0.03 -0.06 -0.04 7.44 7.33 1oh5A1 TRP 709 HZ3 -0.04 0.23 -0.12 -0.04 7.13 7.16 1oh5A1 TRP 709 HH2 -0.05 0.06 -0.17 -0.04 7.19 6.99 1oh5A1 ALA 710 H 0.27 0.51 -0.12 -0.55 8.40 8.51 1oh5A1 ALA 710 HA 0.21 0.02 0.45 -0.75 4.34 4.27 1oh5A1 ALA 710 HB3 0.10 0.02 0.13 -0.04 1.41 1.62 1oh5A1 CYS 711 H 0.08 0.53 -0.28 -0.55 8.50 8.28 1oh5A1 CYS 711 HA 0.01 0.04 0.45 -0.75 4.58 4.33 1oh5A1 CYS 711 HB2 0.14 0.04 0.14 -0.04 2.97 3.25 1oh5A1 CYS 711 HB3 0.09 -0.02 -0.05 -0.04 2.97 2.94 1oh5A1 ALA 712 H -0.09 0.68 -0.06 -0.55 8.40 8.39 1oh5A1 ALA 712 HA -0.25 -0.00 0.29 -0.75 4.34 3.63 1oh5A1 ALA 712 HB3 -0.70 0.04 0.10 -0.04 1.41 0.81 1oh5A1 GLU 713 H -0.23 0.47 -0.30 -0.55 8.60 8.00 1oh5A1 GLU 713 HA -0.20 0.02 0.41 -0.75 4.29 3.77 1oh5A1 GLU 713 HB2 -0.19 0.01 0.10 -0.04 2.09 1.97 1oh5A1 GLU 713 HB3 -0.04 0.12 0.15 -0.04 1.99 2.18 1oh5A1 GLU 713 HG2 -0.02 -0.00 -0.21 -0.04 2.34 2.07 1oh5A1 GLU 713 HG3 -0.05 -0.03 0.04 -0.04 2.34 2.25 1oh5A1 ASN 714 H -0.05 0.48 -0.14 -0.55 8.53 8.27 1oh5A1 ASN 714 HA -0.03 -0.06 0.44 -0.75 4.76 4.35 1oh5A1 ASN 714 HB2 -0.02 0.11 0.20 -0.04 2.88 3.13 1oh5A1 ASN 714 HB3 -0.04 0.09 0.14 -0.04 2.79 2.93 1oh5A1 ASN 714 HD21 -0.02 0.01 0.03 -0.04 7.03 7.00 1oh5A1 ASN 714 HD22 -0.01 -0.01 0.05 -0.04 7.74 7.72 1oh5A1 LEU 715 H -0.07 0.53 -0.26 -0.55 8.37 8.03 1oh5A1 LEU 715 HA -0.05 -0.01 0.40 -0.75 4.35 3.94 1oh5A1 LEU 715 HB2 -0.04 0.11 0.01 -0.04 1.64 1.68 1oh5A1 LEU 715 HB3 -0.02 0.01 -0.11 -0.04 1.64 1.48 1oh5A1 LEU 715 HG -0.04 -0.01 -0.11 -0.04 1.64 1.44 1oh5A1 LEU 715 HD13 0.09 -0.02 -0.21 -0.04 0.93 0.75 1oh5A1 LEU 715 HD23 -0.06 -0.01 -0.15 -0.04 0.89 0.63 1oh5A1 ALA 716 H -0.09 0.30 -0.31 -0.55 8.40 7.75 1oh5A1 ALA 716 HA -0.06 0.14 0.56 -0.75 4.34 4.23 1oh5A1 ALA 716 HB3 -0.12 0.01 0.08 -0.04 1.41 1.34 1oh5A1 ASN 717 H -0.07 0.57 0.20 -0.55 8.53 8.68 1oh5A1 ASN 717 HA -0.03 0.08 0.49 -0.75 4.76 4.55 1oh5A1 ASN 717 HB2 -0.04 -0.06 0.14 -0.04 2.88 2.88 1oh5A1 ASN 717 HB3 -0.03 0.04 0.16 -0.04 2.79 2.91 1oh5A1 ASN 717 HD21 -0.01 -0.04 -0.02 -0.04 7.03 6.92 1oh5A1 ASN 717 HD22 -0.02 -0.00 0.05 -0.04 7.74 7.73 1oh5A1 LYS 718 H -0.03 0.17 0.05 -0.55 8.42 8.05 1oh5A1 LYS 718 HA -0.01 0.07 0.45 -0.75 4.32 4.07 1oh5A1 LYS 718 HB2 -0.02 0.15 0.23 -0.04 1.87 2.19 1oh5A1 LYS 718 HB3 -0.01 0.00 -0.01 -0.04 1.79 1.73 1oh5A1 LYS 718 HG2 -0.01 -0.03 -0.03 -0.04 1.46 1.35 1oh5A1 LYS 718 HG3 -0.01 -0.05 0.06 -0.04 1.46 1.41 1oh5A1 LYS 718 HD2 -0.00 -0.04 0.01 -0.04 1.69 1.62 1oh5A1 LYS 718 HD3 0.00 0.04 0.00 -0.04 1.68 1.69 1oh5A1 LYS 718 HE2 0.00 -0.03 -0.00 -0.04 2.99 2.92 1oh5A1 LYS 718 HE3 0.00 0.03 -0.01 -0.04 2.99 2.97 1oh5A1 ILE 719 H -0.03 0.42 0.06 -0.55 8.25 8.16 1oh5A1 ILE 719 HA -0.00 0.08 0.41 -0.75 4.18 3.92 1oh5A1 ILE 719 HB -0.04 -0.01 0.09 -0.04 1.89 1.89 1oh5A1 ILE 719 HG12 -0.03 0.11 -0.06 -0.04 1.49 1.47 1oh5A1 ILE 719 HG13 -0.03 -0.08 -0.05 -0.04 1.21 1.01 1oh5A1 ILE 719 HG23 -0.02 0.00 -0.35 -0.04 0.93 0.52 1oh5A1 ILE 719 HD13 -0.08 -0.01 -0.12 -0.04 0.88 0.63 1oh5A1 LYS 720 H -0.03 0.15 -0.38 -0.55 8.42 7.61 1oh5A1 LYS 720 HA -0.03 0.15 0.33 -0.75 4.32 4.03 1oh5A1 LYS 720 HB2 -0.01 0.04 0.03 -0.04 1.87 1.90 1oh5A1 LYS 720 HB3 -0.02 -0.06 0.22 -0.04 1.79 1.89 1oh5A1 LYS 720 HG2 -0.02 0.29 0.04 -0.04 1.46 1.72 1oh5A1 LYS 720 HG3 -0.01 0.05 -0.42 -0.04 1.46 1.03 1oh5A1 LYS 720 HD2 -0.01 -0.08 -0.01 -0.04 1.69 1.55 1oh5A1 LYS 720 HD3 -0.02 -0.06 0.05 -0.04 1.68 1.61 1oh5A1 LYS 720 HE2 -0.01 -0.13 0.03 -0.04 2.99 2.84 1oh5A1 LYS 720 HE3 -0.02 0.03 0.05 -0.04 2.99 3.01 1oh5A1 ALA 721 H -0.02 0.05 -0.25 -0.55 8.40 7.64 1oh5A1 ALA 721 HA 0.01 0.16 0.57 -0.75 4.34 4.33 1oh5A1 ALA 721 HB3 0.01 0.00 -0.08 -0.04 1.41 1.30 1oh5A1 LEU 722 H 0.02 0.48 0.18 -0.55 8.37 8.50 1oh5A1 LEU 722 HA -0.00 0.28 0.80 -0.75 4.35 4.67 1oh5A1 LEU 722 HB2 0.02 -0.03 0.18 -0.04 1.64 1.77 1oh5A1 LEU 722 HB3 0.01 -0.06 0.02 -0.04 1.64 1.56 1oh5A1 LEU 722 HG -0.01 0.11 -0.07 -0.04 1.64 1.62 1oh5A1 LEU 722 HD13 -0.00 -0.05 -0.18 -0.04 0.93 0.66 1oh5A1 LEU 722 HD23 -0.03 0.01 -0.21 -0.04 0.89 0.62 1oh5A1 THR 723 H 0.01 0.74 0.34 -0.55 8.28 8.83 1oh5A1 THR 723 HA 0.05 0.21 1.03 -0.75 4.39 4.93 1oh5A1 THR 723 HB 0.05 -0.05 0.03 -0.04 4.32 4.30 1oh5A1 THR 723 HG23 0.18 -0.03 -0.19 -0.04 1.22 1.13 1oh5A1 LEU 724 H 0.05 0.54 0.30 -0.55 8.37 8.71 1oh5A1 LEU 724 HA 0.08 0.15 0.86 -0.75 4.35 4.68 1oh5A1 LEU 724 HB2 0.01 -0.02 0.17 -0.04 1.64 1.76 1oh5A1 LEU 724 HB3 0.03 -0.07 0.01 -0.04 1.64 1.57 1oh5A1 LEU 724 HG -0.01 0.03 -0.15 -0.04 1.64 1.47 1oh5A1 LEU 724 HD13 -0.13 -0.00 -0.03 -0.04 0.93 0.73 1oh5A1 LEU 724 HD23 0.02 0.02 -0.01 -0.04 0.89 0.88 1oh5A1 PHE 725 H 0.17 0.59 0.18 -0.55 8.34 8.73 1oh5A1 PHE 725 HA -0.00 0.21 0.94 -0.75 4.62 5.01 1oh5A1 PHE 725 HB2 -0.03 0.02 -0.24 -0.04 3.15 2.86 1oh5A1 PHE 725 HB3 -0.03 -0.01 0.17 -0.04 3.06 3.15 1oh5A1 PHE 725 HD2 -0.03 -0.01 -0.13 -0.04 7.28 7.07 1oh5A1 PHE 725 HE2 -0.00 -0.05 -0.08 -0.04 7.38 7.21 1oh5A1 PHE 725 HZ 0.01 -0.04 -0.01 -0.04 7.32 7.24 1oh5A1 ALA 726 H -0.03 0.23 0.16 -0.55 8.40 8.22 1oh5A1 ALA 726 HA 0.08 0.22 0.75 -0.75 4.34 4.63 1oh5A1 ALA 726 HB3 0.02 -0.03 0.11 -0.04 1.41 1.47 1oh5A1 THR 727 H 0.06 0.54 0.38 -0.55 8.28 8.72 1oh5A1 THR 727 HA -0.20 0.05 0.45 -0.75 4.39 3.93 1oh5A1 THR 727 HB -0.20 -0.42 0.21 -0.04 4.32 3.87 1oh5A1 THR 727 HG23 0.16 0.03 -0.01 -0.04 1.22 1.35 1oh5A1 HIS 728 H -1.07 0.13 0.18 -0.55 8.41 7.10 1oh5A1 HIS 728 HA 0.04 0.18 0.77 -0.75 4.63 4.86 1oh5A1 HIS 728 HB2 -0.07 -0.03 0.05 -0.04 3.26 3.18 1oh5A1 HIS 728 HB3 -0.05 0.04 0.08 -0.04 3.20 3.22 1oh5A1 HIS 728 HD2 -0.90 -0.04 -0.08 -0.04 6.97 5.91 1oh5A1 HIS 728 HE1 -0.14 0.14 -0.00 -0.04 7.75 7.70 1oh5A1 TYR 729 H -0.43 0.05 0.07 -0.55 8.29 7.43 1oh5A1 TYR 729 HA 0.21 0.07 0.58 -0.75 4.56 4.67 1oh5A1 TYR 729 HB2 0.10 0.06 0.18 -0.04 3.06 3.35 1oh5A1 TYR 729 HB3 0.18 -0.08 0.06 -0.04 2.98 3.10 1oh5A1 TYR 729 HD2 0.13 0.04 0.08 -0.04 7.15 7.36 1oh5A1 TYR 729 HE2 0.14 0.13 0.03 -0.04 6.85 7.11 1oh5A1 PHE 730 H 0.41 0.22 0.24 -0.55 8.34 8.66 1oh5A1 PHE 730 HA 0.10 0.14 0.33 -0.75 4.62 4.43 1oh5A1 PHE 730 HB2 0.08 0.01 0.17 -0.04 3.15 3.36 1oh5A1 PHE 730 HB3 0.08 0.04 -0.03 -0.04 3.06 3.11 1oh5A1 PHE 730 HD2 0.03 0.00 -0.05 -0.04 7.28 7.22 1oh5A1 PHE 730 HE2 -0.04 0.02 -0.16 -0.04 7.38 7.17 1oh5A1 PHE 730 HZ -0.07 0.38 -0.31 -0.04 7.32 7.28 1oh5A1 GLU 731 H 0.31 0.00 -0.31 -0.55 8.60 8.05 1oh5A1 GLU 731 HA 0.20 0.14 0.34 -0.75 4.29 4.22 1oh5A1 GLU 731 HB2 0.21 -0.05 0.00 -0.04 2.09 2.22 1oh5A1 GLU 731 HB3 0.14 0.07 0.01 -0.04 1.99 2.17 1oh5A1 GLU 731 HG2 0.11 0.06 0.00 -0.04 2.34 2.47 1oh5A1 GLU 731 HG3 0.19 0.04 -0.00 -0.04 2.34 2.53 1oh5A1 LEU 732 H 0.22 0.19 -0.36 -0.55 8.37 7.86 1oh5A1 LEU 732 HA 0.09 0.08 0.45 -0.75 4.35 4.21 1oh5A1 LEU 732 HB2 0.10 0.19 0.01 -0.04 1.64 1.90 1oh5A1 LEU 732 HB3 -0.08 0.05 0.05 -0.04 1.64 1.62 1oh5A1 LEU 732 HG 0.27 -0.13 0.00 -0.04 1.64 1.74 1oh5A1 LEU 732 HD13 0.23 0.00 -0.03 -0.04 0.93 1.09 1oh5A1 LEU 732 HD23 0.19 0.01 -0.08 -0.04 0.89 0.97 1oh5A1 THR 733 H -0.07 0.42 -0.42 -0.55 8.28 7.66 1oh5A1 THR 733 HA -0.14 0.12 0.64 -0.75 4.39 4.26 1oh5A1 THR 733 HB -0.25 -0.03 0.11 -0.04 4.32 4.11 1oh5A1 THR 733 HG23 -0.52 -0.01 0.03 -0.04 1.22 0.67 1oh5A1 GLN 734 H 0.07 0.34 -0.24 -0.55 8.47 8.09 1oh5A1 GLN 734 HA 0.03 0.11 0.69 -0.75 4.36 4.43 1oh5A1 GLN 734 HB2 0.13 -0.02 0.11 -0.04 2.15 2.32 1oh5A1 GLN 734 HB3 0.35 0.14 0.08 -0.04 2.02 2.55 1oh5A1 GLN 734 HG2 0.28 -0.02 -0.01 -0.04 2.40 2.61 1oh5A1 GLN 734 HG3 0.11 -0.03 0.15 -0.04 2.39 2.58 1oh5A1 GLN 734 HE21 0.03 -0.01 0.00 -0.04 6.97 6.96 1oh5A1 GLN 734 HE22 0.07 -0.01 -0.01 -0.04 7.69 7.71 1oh5A1 LEU 735 H -0.18 0.37 -0.48 -0.55 8.37 7.53 1oh5A1 LEU 735 HA -0.51 -0.04 0.33 -0.75 4.35 3.38 1oh5A1 LEU 735 HB2 -0.37 0.32 0.17 -0.04 1.64 1.71 1oh5A1 LEU 735 HB3 -0.39 0.00 -0.10 -0.04 1.64 1.11 1oh5A1 LEU 735 HG -1.48 -0.09 0.04 -0.04 1.64 0.06 1oh5A1 LEU 735 HD13 -0.64 0.01 0.03 -0.04 0.93 0.29 1oh5A1 LEU 735 HD23 -0.90 -0.00 -0.02 -0.04 0.89 -0.07 1oh5A1 PRO 736 HA -0.10 0.12 0.21 -0.51 4.44 4.17 1oh5A1 PRO 736 HB2 -0.05 0.00 -0.12 -0.04 2.28 2.07 1oh5A1 PRO 736 HB3 -0.06 0.12 -0.08 -0.04 2.02 1.96 1oh5A1 PRO 736 HG2 -0.07 -0.00 -0.18 -0.04 2.03 1.73 1oh5A1 PRO 736 HG3 -0.09 -0.02 -0.40 -0.04 2.03 1.48 1oh5A1 PRO 736 HD2 -0.11 0.21 -0.34 -0.04 3.68 3.40 1oh5A1 PRO 736 HD3 -0.18 0.11 -0.01 -0.04 3.65 3.54 1oh5A1 GLU 737 H -0.04 0.11 -0.56 -0.55 8.60 7.57 1oh5A1 GLU 737 HA -0.01 0.01 0.43 -0.75 4.29 3.97 1oh5A1 GLU 737 HB2 0.01 -0.07 0.09 -0.04 2.09 2.07 1oh5A1 GLU 737 HB3 0.04 0.12 0.09 -0.04 1.99 2.20 1oh5A1 GLU 737 HG2 0.02 0.01 -0.08 -0.04 2.34 2.25 1oh5A1 GLU 737 HG3 0.01 -0.03 0.05 -0.04 2.34 2.32 1oh5A1 LYS 738 H -0.01 0.31 -0.07 -0.55 8.42 8.09 1oh5A1 LYS 738 HA 0.03 0.05 0.61 -0.75 4.32 4.25 1oh5A1 LYS 738 HB2 0.05 -0.04 0.16 -0.04 1.87 2.00 1oh5A1 LYS 738 HB3 0.11 -0.07 0.03 -0.04 1.79 1.81 1oh5A1 LYS 738 HG2 0.15 0.16 0.04 -0.04 1.46 1.77 1oh5A1 LYS 738 HG3 0.40 -0.09 -0.02 -0.04 1.46 1.71 1oh5A1 LYS 738 HD2 0.08 0.03 -0.03 -0.04 1.69 1.73 1oh5A1 LYS 738 HD3 0.08 -0.01 -0.10 -0.04 1.68 1.62 1oh5A1 LYS 738 HE2 0.11 -0.03 -0.03 -0.04 2.99 3.00 1oh5A1 LYS 738 HE3 0.13 -0.03 -0.02 -0.04 2.99 3.03 1oh5A1 MET 739 H -0.11 0.27 0.12 -0.55 8.47 8.21 1oh5A1 MET 739 HA -0.05 -0.00 0.50 -0.75 4.52 4.21 1oh5A1 MET 739 HB2 -0.15 -0.04 -0.14 -0.04 2.15 1.78 1oh5A1 MET 739 HB3 -0.12 0.08 0.06 -0.04 2.03 2.02 1oh5A1 MET 739 HG2 -0.30 0.00 0.04 -0.04 2.63 2.33 1oh5A1 MET 739 HG3 -0.26 -0.02 -0.03 -0.04 2.56 2.21 1oh5A1 MET 739 HE3 -0.11 -0.01 -0.01 -0.04 2.10 1.93 1oh5A1 GLU 740 H -0.05 0.07 0.19 -0.55 8.60 8.26 1oh5A1 GLU 740 HA -0.04 0.21 0.84 -0.75 4.29 4.55 1oh5A1 GLU 740 HB2 -0.03 0.00 0.12 -0.04 2.09 2.15 1oh5A1 GLU 740 HB3 -0.03 0.01 0.09 -0.04 1.99 2.01 1oh5A1 GLU 740 HG2 -0.03 -0.05 0.17 -0.04 2.34 2.40 1oh5A1 GLU 740 HG3 -0.02 -0.03 0.07 -0.04 2.34 2.32 1oh5A1 GLY 741 H -0.04 0.22 0.14 -0.55 8.43 8.20 1oh5A1 GLY 741 HA2 -0.04 0.21 0.29 -0.51 4.01 3.96 1oh5A1 GLY 741 HA3 -0.05 0.15 0.44 -0.51 4.01 4.05 1oh5A1 VAL 742 H -0.08 0.14 -0.81 -0.55 8.24 6.94 1oh5A1 VAL 742 HA -0.08 0.22 0.75 -0.75 4.13 4.25 1oh5A1 VAL 742 HB -0.14 0.05 -0.22 -0.04 2.12 1.77 1oh5A1 VAL 742 HG13 -0.18 -0.02 -0.11 -0.04 0.97 0.62 1oh5A1 VAL 742 HG23 -0.18 0.01 -0.16 -0.04 0.95 0.58 1oh5A1 ALA 743 H -0.06 0.67 0.43 -0.55 8.40 8.89 1oh5A1 ALA 743 HA -0.04 0.11 0.50 -0.75 4.34 4.16 1oh5A1 ALA 743 HB3 -0.01 0.01 0.01 -0.04 1.41 1.38 1oh5A1 ASN 744 H -0.02 0.19 0.18 -0.55 8.53 8.33 1oh5A1 ASN 744 HA -0.02 0.23 1.02 -0.75 4.76 5.22 1oh5A1 ASN 744 HB2 -0.04 -0.03 0.14 -0.04 2.88 2.91 1oh5A1 ASN 744 HB3 -0.02 -0.05 -0.33 -0.04 2.79 2.34 1oh5A1 ASN 744 HD21 -0.11 0.06 0.31 -0.04 7.03 7.25 1oh5A1 ASN 744 HD22 -0.07 -0.05 0.08 -0.04 7.74 7.66 1oh5A1 VAL 745 H 0.03 0.34 0.13 -0.55 8.24 8.20 1oh5A1 VAL 745 HA 0.09 0.27 0.56 -0.75 4.13 4.29 1oh5A1 VAL 745 HB -0.03 0.07 0.07 -0.04 2.12 2.19 1oh5A1 VAL 745 HG13 0.04 -0.03 -0.19 -0.04 0.97 0.75 1oh5A1 VAL 745 HG23 0.07 -0.04 -0.26 -0.04 0.95 0.68 1oh5A1 HIS 746 H -0.08 0.52 0.27 -0.55 8.41 8.58 1oh5A1 HIS 746 HA 0.01 -0.00 0.83 -0.75 4.63 4.71 1oh5A1 HIS 746 HB2 0.05 -0.11 -0.12 -0.04 3.26 3.04 1oh5A1 HIS 746 HB3 0.01 0.03 -0.37 -0.04 3.20 2.82 1oh5A1 HIS 746 HD2 0.09 -0.02 -0.40 -0.04 6.97 6.60 1oh5A1 HIS 746 HE1 0.01 0.08 -0.21 -0.04 7.75 7.59 1oh5A1 LEU 747 H 0.07 0.57 0.29 -0.55 8.37 8.75 1oh5A1 LEU 747 HA -0.17 0.26 0.82 -0.75 4.35 4.50 1oh5A1 LEU 747 HB2 -0.00 -0.05 -0.00 -0.04 1.64 1.55 1oh5A1 LEU 747 HB3 0.01 0.02 -0.18 -0.04 1.64 1.44 1oh5A1 LEU 747 HG -0.17 0.09 -0.40 -0.04 1.64 1.12 1oh5A1 LEU 747 HD13 -0.19 -0.04 -0.35 -0.04 0.93 0.32 1oh5A1 LEU 747 HD23 -0.01 -0.06 -0.39 -0.04 0.89 0.39 1oh5A1 ASP 748 H -0.10 0.58 0.27 -0.55 8.40 8.61 1oh5A1 ASP 748 HA 0.21 0.01 0.15 -0.75 4.63 4.25 1oh5A1 ASP 748 HB2 -0.07 0.13 0.10 -0.04 2.71 2.83 1oh5A1 ASP 748 HB3 -0.00 -0.06 0.03 -0.04 2.70 2.62 1oh5A1 ALA 749 H 0.11 0.28 0.30 -0.55 8.40 8.55 1oh5A1 ALA 749 HA -0.03 -0.01 0.71 -0.75 4.34 4.26 1oh5A1 ALA 749 HB3 -0.18 0.06 0.13 -0.04 1.41 1.38 1oh5A1 LEU 750 H -0.15 0.52 0.30 -0.55 8.37 8.49 1oh5A1 LEU 750 HA -0.12 0.10 1.00 -0.75 4.35 4.58 1oh5A1 LEU 750 HB2 -0.06 0.00 -0.01 -0.04 1.64 1.54 1oh5A1 LEU 750 HB3 -0.36 -0.04 -0.09 -0.04 1.64 1.11 1oh5A1 LEU 750 HG -0.03 -0.04 -0.32 -0.04 1.64 1.21 1oh5A1 LEU 750 HD13 0.02 0.00 -0.08 -0.04 0.93 0.84 1oh5A1 LEU 750 HD23 -0.05 0.04 0.06 -0.04 0.89 0.89 1oh5A1 GLU 751 H -0.21 0.06 0.11 -0.55 8.60 8.01 1oh5A1 GLU 751 HA -0.10 0.15 0.40 -0.75 4.29 3.98 1oh5A1 GLU 751 HB2 -0.08 -0.11 0.16 -0.04 2.09 2.03 1oh5A1 GLU 751 HB3 -0.04 0.04 0.13 -0.04 1.99 2.09 1oh5A1 GLU 751 HG2 -0.11 0.06 0.14 -0.04 2.34 2.39 1oh5A1 GLU 751 HG3 -0.32 -0.02 0.14 -0.04 2.34 2.10 1oh5A1 HIS 752 H -0.27 0.05 0.06 -0.55 8.41 7.70 1oh5A1 HIS 752 HA -0.03 -0.03 0.22 -0.75 4.63 4.05 1oh5A1 HIS 752 HB2 -0.06 0.25 -0.03 -0.04 3.26 3.37 1oh5A1 HIS 752 HB3 -0.04 -0.03 0.05 -0.04 3.20 3.13 1oh5A1 HIS 752 HD2 -0.10 0.14 -0.41 -0.04 6.97 6.55 1oh5A1 HIS 752 HE1 -0.03 0.01 -0.08 -0.04 7.75 7.61 1oh5A1 GLY 753 H -0.01 -0.04 -0.29 -0.55 8.43 7.55 1oh5A1 GLY 753 HA2 0.01 -0.03 0.24 -0.51 4.01 3.72 1oh5A1 GLY 753 HA3 0.01 -0.01 0.39 -0.51 4.01 3.89 1oh5A1 ASP 754 H 0.01 0.07 0.15 -0.55 8.40 8.07 1oh5A1 ASP 754 HA -0.01 0.01 0.50 -0.75 4.63 4.38 1oh5A1 ASP 754 HB2 -0.00 -0.06 0.16 -0.04 2.71 2.76 1oh5A1 ASP 754 HB3 -0.00 0.02 0.23 -0.04 2.70 2.91 1oh5A1 THR 755 H -0.02 0.45 0.31 -0.55 8.28 8.47 1oh5A1 THR 755 HA -0.05 -0.05 0.24 -0.75 4.39 3.77 1oh5A1 THR 755 HB -0.04 0.44 0.64 -0.04 4.32 5.33 1oh5A1 THR 755 HG23 0.01 0.03 -0.41 -0.04 1.22 0.80 1oh5A1 ILE 756 H -0.13 0.03 0.09 -0.55 8.25 7.69 1oh5A1 ILE 756 HA -0.29 0.08 0.01 -0.75 4.18 3.23 1oh5A1 ILE 756 HB -0.30 -0.21 0.23 -0.04 1.89 1.57 1oh5A1 ILE 756 HG12 -0.12 0.03 0.00 -0.04 1.49 1.36 1oh5A1 ILE 756 HG13 -0.12 -0.06 0.14 -0.04 1.21 1.13 1oh5A1 ILE 756 HG23 -0.75 0.01 -0.10 -0.04 0.93 0.06 1oh5A1 ILE 756 HD13 -0.08 0.02 0.04 -0.04 0.88 0.81 1oh5A1 ALA 757 H -0.33 0.02 0.12 -0.55 8.40 7.66 1oh5A1 ALA 757 HA -0.20 -0.02 0.38 -0.75 4.34 3.75 1oh5A1 ALA 757 HB3 -0.04 0.16 0.07 -0.04 1.41 1.56 1oh5A1 PHE 758 H -0.22 0.16 0.09 -0.55 8.34 7.81 1oh5A1 PHE 758 HA -0.18 0.16 1.01 -0.75 4.62 4.86 1oh5A1 PHE 758 HB2 -0.30 -0.03 0.21 -0.04 3.15 2.99 1oh5A1 PHE 758 HB3 -0.31 0.14 0.13 -0.04 3.06 2.98 1oh5A1 PHE 758 HD2 -0.08 0.02 0.01 -0.04 7.28 7.19 1oh5A1 PHE 758 HE2 -0.05 -0.07 -0.07 -0.04 7.38 7.15 1oh5A1 PHE 758 HZ -0.02 -0.08 -0.08 -0.04 7.32 7.10 1oh5A1 MET 759 H -0.03 0.29 0.09 -0.55 8.47 8.28 1oh5A1 MET 759 HA -0.10 0.08 0.22 -0.75 4.52 3.96 1oh5A1 MET 759 HB2 -0.02 0.04 -0.19 -0.04 2.15 1.93 1oh5A1 MET 759 HB3 -0.03 0.02 -0.06 -0.04 2.03 1.92 1oh5A1 MET 759 HG2 -0.02 -0.04 -0.20 -0.04 2.63 2.32 1oh5A1 MET 759 HG3 -0.02 0.03 -0.08 -0.04 2.56 2.45 1oh5A1 MET 759 HE3 -0.03 0.03 -0.05 -0.04 2.10 2.01 1oh5A1 HIS 760 H -0.06 0.14 -0.15 -0.55 8.41 7.79 1oh5A1 HIS 760 HA -0.08 0.13 0.33 -0.75 4.63 4.26 1oh5A1 HIS 760 HB2 -0.11 0.18 -0.07 -0.04 3.26 3.22 1oh5A1 HIS 760 HB3 -0.20 -0.05 0.25 -0.04 3.20 3.17 1oh5A1 HIS 760 HD2 -0.07 0.01 -0.02 -0.04 6.97 6.85 1oh5A1 HIS 760 HE1 -0.06 0.10 -0.00 -0.04 7.75 7.74 1oh5A1 SER 761 H -0.03 0.01 -0.19 -0.55 8.46 7.71 1oh5A1 SER 761 HA -0.08 0.27 0.93 -0.75 4.49 4.86 1oh5A1 SER 761 HB2 -0.05 0.08 0.00 -0.04 3.95 3.94 1oh5A1 SER 761 HB3 -0.03 0.13 -0.18 -0.04 3.93 3.80 1oh5A1 VAL 762 H -0.16 0.24 0.16 -0.55 8.24 7.92 1oh5A1 VAL 762 HA -0.30 0.18 0.67 -0.75 4.13 3.92 1oh5A1 VAL 762 HB -0.30 0.05 0.11 -0.04 2.12 1.94 1oh5A1 VAL 762 HG13 -0.41 -0.01 -0.15 -0.04 0.97 0.36 1oh5A1 VAL 762 HG23 -0.95 0.00 -0.08 -0.04 0.95 -0.12 1oh5A1 GLN 763 H -0.39 0.58 0.40 -0.55 8.47 8.51 1oh5A1 GLN 763 HA -0.09 0.13 0.81 -0.75 4.36 4.46 1oh5A1 GLN 763 HB2 -0.25 -0.00 0.01 -0.04 2.15 1.86 1oh5A1 GLN 763 HB3 -0.02 -0.01 0.11 -0.04 2.02 2.05 1oh5A1 GLN 763 HG2 -0.06 0.11 -0.05 -0.04 2.40 2.36 1oh5A1 GLN 763 HG3 -0.13 -0.05 -0.61 -0.04 2.39 1.57 1oh5A1 GLN 763 HE21 0.01 -0.04 -0.01 -0.04 6.97 6.89 1oh5A1 GLN 763 HE22 -0.01 0.01 0.02 -0.04 7.69 7.67 1oh5A1 ASP 764 H 0.01 0.08 0.18 -0.55 8.40 8.11 1oh5A1 ASP 764 HA 0.03 0.07 0.49 -0.75 4.63 4.47 1oh5A1 ASP 764 HB2 0.03 -0.04 0.15 -0.04 2.71 2.81 1oh5A1 ASP 764 HB3 0.03 0.02 0.10 -0.04 2.70 2.81 1oh5A1 GLY 765 H 0.06 0.60 0.39 -0.55 8.43 8.93 1oh5A1 GLY 765 HA2 0.02 -0.07 0.38 -0.51 4.01 3.83 1oh5A1 GLY 765 HA3 0.05 0.13 0.55 -0.51 4.01 4.23 1oh5A1 ALA 766 H -0.05 0.07 0.10 -0.55 8.40 7.97 1oh5A1 ALA 766 HA -0.08 0.08 0.46 -0.75 4.34 4.04 1oh5A1 ALA 766 HB3 -0.20 0.00 0.08 -0.04 1.41 1.25 1oh5A1 ALA 767 H -0.10 0.02 0.04 -0.55 8.40 7.81 1oh5A1 ALA 767 HA -0.52 0.10 0.42 -0.75 4.34 3.58 1oh5A1 ALA 767 HB3 0.15 -0.01 -0.00 -0.04 1.41 1.51 1oh5A1 SER 768 H -0.07 0.09 0.13 -0.55 8.46 8.07 1oh5A1 SER 768 HA 0.01 0.16 0.51 -0.75 4.49 4.42 1oh5A1 SER 768 HB2 -0.00 0.01 0.07 -0.04 3.95 3.99 1oh5A1 SER 768 HB3 -0.02 0.05 0.11 -0.04 3.93 4.03 1oh5A1 LYS 769 H -0.16 0.14 0.03 -0.55 8.42 7.88 1oh5A1 LYS 769 HA -0.34 0.14 0.34 -0.75 4.32 3.71 1oh5A1 LYS 769 HB2 -0.25 0.01 0.15 -0.04 1.87 1.74 1oh5A1 LYS 769 HB3 -0.15 0.03 -0.17 -0.04 1.79 1.46 1oh5A1 LYS 769 HG2 -0.69 -0.08 -0.19 -0.04 1.46 0.46 1oh5A1 LYS 769 HG3 -0.38 0.19 -0.21 -0.04 1.46 1.01 1oh5A1 LYS 769 HD2 -0.03 0.01 -0.06 -0.04 1.69 1.56 1oh5A1 LYS 769 HD3 0.10 -0.02 -0.07 -0.04 1.68 1.65 1oh5A1 LYS 769 HE2 -0.01 -0.05 -0.01 -0.04 2.99 2.88 1oh5A1 LYS 769 HE3 -0.10 0.02 0.01 -0.04 2.99 2.89 1oh5A1 SER 770 H -0.52 0.17 0.13 -0.55 8.46 7.68 1oh5A1 SER 770 HA -0.20 0.14 0.79 -0.75 4.49 4.46 1oh5A1 SER 770 HB2 -0.05 -0.07 0.09 -0.04 3.95 3.88 1oh5A1 SER 770 HB3 -0.11 0.09 0.11 -0.04 3.93 3.98 1oh5A1 TYR 771 H 0.07 0.17 0.09 -0.55 8.29 8.07 1oh5A1 TYR 771 HA 0.01 0.20 0.64 -0.75 4.56 4.66 1oh5A1 TYR 771 HB2 0.09 -0.02 0.14 -0.04 3.06 3.23 1oh5A1 TYR 771 HB3 0.07 0.03 0.19 -0.04 2.98 3.23 1oh5A1 TYR 771 HD2 0.06 -0.06 -0.00 -0.04 7.15 7.11 1oh5A1 TYR 771 HE2 0.05 -0.00 -0.02 -0.04 6.85 6.84 1oh5A1 GLY 772 H 0.03 0.21 -0.19 -0.55 8.43 7.93 1oh5A1 GLY 772 HA2 0.07 0.10 0.38 -0.51 4.01 4.05 1oh5A1 GLY 772 HA3 0.03 0.10 0.29 -0.51 4.01 3.92 1oh5A1 LEU 773 H 0.03 0.14 -0.06 -0.55 8.37 7.94 1oh5A1 LEU 773 HA 0.02 0.12 0.58 -0.75 4.35 4.32 1oh5A1 LEU 773 HB2 0.02 0.05 0.04 -0.04 1.64 1.71 1oh5A1 LEU 773 HB3 0.01 0.06 0.04 -0.04 1.64 1.72 1oh5A1 LEU 773 HG -0.00 -0.05 0.04 -0.04 1.64 1.59 1oh5A1 LEU 773 HD13 -0.00 0.04 -0.06 -0.04 0.93 0.86 1oh5A1 LEU 773 HD23 0.00 -0.00 -0.09 -0.04 0.89 0.76 1oh5A1 ALA 774 H 0.09 0.06 -0.21 -0.55 8.40 7.80 1oh5A1 ALA 774 HA 0.04 0.08 0.39 -0.75 4.34 4.09 1oh5A1 ALA 774 HB3 0.09 0.07 0.09 -0.04 1.41 1.62 1oh5A1 VAL 775 H 0.09 0.34 -0.25 -0.55 8.24 7.87 1oh5A1 VAL 775 HA 0.08 0.12 0.48 -0.75 4.13 4.05 1oh5A1 VAL 775 HB 0.08 0.03 0.14 -0.04 2.12 2.33 1oh5A1 VAL 775 HG13 0.07 -0.01 -0.10 -0.04 0.97 0.89 1oh5A1 VAL 775 HG23 0.18 0.02 0.05 -0.04 0.95 1.16 1oh5A1 ALA 776 H 0.04 0.34 -0.20 -0.55 8.40 8.03 1oh5A1 ALA 776 HA 0.02 0.05 0.55 -0.75 4.34 4.21 1oh5A1 ALA 776 HB3 0.02 0.02 0.16 -0.04 1.41 1.56 1oh5A1 ALA 777 H 0.02 0.47 -0.28 -0.55 8.40 8.07 1oh5A1 ALA 777 HA 0.01 0.06 0.47 -0.75 4.34 4.13 1oh5A1 ALA 777 HB3 0.01 0.03 0.07 -0.04 1.41 1.47 1oh5A1 LEU 778 H 0.02 0.22 -0.38 -0.55 8.37 7.69 1oh5A1 LEU 778 HA -0.00 0.07 0.48 -0.75 4.35 4.15 1oh5A1 LEU 778 HB2 0.00 0.06 0.10 -0.04 1.64 1.77 1oh5A1 LEU 778 HB3 0.03 0.13 0.15 -0.04 1.64 1.91 1oh5A1 LEU 778 HG 0.02 0.02 -0.14 -0.04 1.64 1.50 1oh5A1 LEU 778 HD13 -0.02 -0.01 0.04 -0.04 0.93 0.90 1oh5A1 LEU 778 HD23 0.04 -0.01 -0.03 -0.04 0.89 0.84 1oh5A1 ALA 779 H 0.02 0.23 -0.29 -0.55 8.40 7.82 1oh5A1 ALA 779 HA 0.02 0.09 0.54 -0.75 4.34 4.24 1oh5A1 ALA 779 HB3 0.02 0.01 0.08 -0.04 1.41 1.48 1oh5A1 GLY 780 H 0.01 0.10 -0.58 -0.55 8.43 7.42 1oh5A1 GLY 780 HA2 0.00 0.09 0.14 -0.51 4.01 3.73 1oh5A1 GLY 780 HA3 0.00 0.12 0.51 -0.51 4.01 4.13 1oh5A1 VAL 781 H 0.01 0.25 0.08 -0.55 8.24 8.03 1oh5A1 VAL 781 HA 0.00 0.08 0.49 -0.75 4.13 3.95 1oh5A1 VAL 781 HB 0.01 -0.04 -0.02 -0.04 2.12 2.02 1oh5A1 VAL 781 HG13 0.00 -0.01 -0.08 -0.04 0.97 0.84 1oh5A1 VAL 781 HG23 0.01 0.03 0.04 -0.04 0.95 0.98 1oh5A1 PRO 782 HA 0.00 0.09 0.41 -0.51 4.44 4.43 1oh5A1 PRO 782 HB2 0.00 -0.23 0.13 -0.04 2.28 2.13 1oh5A1 PRO 782 HB3 0.00 0.03 0.14 -0.04 2.02 2.15 1oh5A1 PRO 782 HG2 0.00 0.03 0.12 -0.04 2.03 2.14 1oh5A1 PRO 782 HG3 0.00 0.12 0.15 -0.04 2.03 2.26 1oh5A1 PRO 782 HD2 0.00 0.04 0.23 -0.04 3.68 3.90 1oh5A1 PRO 782 HD3 0.00 0.31 0.28 -0.04 3.65 4.20 1oh5A1 LYS 783 H 0.00 0.21 0.19 -0.55 8.42 8.26 1oh5A1 LYS 783 HA 0.00 0.12 0.49 -0.75 4.32 4.18 1oh5A1 LYS 783 HB2 -0.00 -0.02 0.09 -0.04 1.87 1.90 1oh5A1 LYS 783 HB3 0.00 0.02 0.07 -0.04 1.79 1.84 1oh5A1 LYS 783 HG2 0.00 0.09 0.07 -0.04 1.46 1.58 1oh5A1 LYS 783 HG3 -0.00 0.01 0.10 -0.04 1.46 1.53 1oh5A1 LYS 783 HD2 -0.00 -0.01 0.03 -0.04 1.69 1.67 1oh5A1 LYS 783 HD3 -0.00 -0.02 0.03 -0.04 1.68 1.65 1oh5A1 LYS 783 HE2 -0.00 0.01 0.02 -0.04 2.99 2.97 1oh5A1 LYS 783 HE3 -0.00 0.05 0.02 -0.04 2.99 3.01 1oh5A1 GLU 784 H 0.00 0.07 -0.23 -0.55 8.60 7.90 1oh5A1 GLU 784 HA -0.00 0.11 0.46 -0.75 4.29 4.10 1oh5A1 GLU 784 HB2 -0.00 0.05 0.08 -0.04 2.09 2.17 1oh5A1 GLU 784 HB3 -0.00 -0.04 0.07 -0.04 1.99 1.98 1oh5A1 GLU 784 HG2 -0.00 0.04 -0.02 -0.04 2.34 2.32 1oh5A1 GLU 784 HG3 -0.00 0.00 -0.19 -0.04 2.34 2.11 1oh5A1 VAL 785 H 0.00 0.20 -0.22 -0.55 8.24 7.67 1oh5A1 VAL 785 HA -0.00 0.07 0.56 -0.75 4.13 4.01 1oh5A1 VAL 785 HB 0.00 0.13 0.07 -0.04 2.12 2.28 1oh5A1 VAL 785 HG13 0.00 0.00 -0.20 -0.04 0.97 0.73 1oh5A1 VAL 785 HG23 -0.00 0.00 0.01 -0.04 0.95 0.92 1oh5A1 ILE 786 H 0.00 0.57 -0.09 -0.55 8.25 8.18 1oh5A1 ILE 786 HA 0.00 -0.02 0.40 -0.75 4.18 3.81 1oh5A1 ILE 786 HB 0.00 0.10 0.09 -0.04 1.89 2.03 1oh5A1 ILE 786 HG12 0.00 0.19 -0.12 -0.04 1.49 1.53 1oh5A1 ILE 786 HG13 0.01 0.04 -0.05 -0.04 1.21 1.17 1oh5A1 ILE 786 HG23 0.01 -0.02 -0.09 -0.04 0.93 0.79 1oh5A1 ILE 786 HD13 0.01 -0.01 -0.12 -0.04 0.88 0.71 1oh5A1 LYS 787 H 0.00 0.37 -0.58 -0.55 8.42 7.65 1oh5A1 LYS 787 HA 0.00 0.02 0.39 -0.75 4.32 3.97 1oh5A1 LYS 787 HB2 0.00 0.20 0.16 -0.04 1.87 2.19 1oh5A1 LYS 787 HB3 -0.00 0.16 0.12 -0.04 1.79 2.03 1oh5A1 LYS 787 HG2 -0.00 -0.03 -0.09 -0.04 1.46 1.29 1oh5A1 LYS 787 HG3 -0.00 -0.03 0.03 -0.04 1.46 1.42 1oh5A1 LYS 787 HD2 -0.00 -0.02 -0.01 -0.04 1.69 1.62 1oh5A1 LYS 787 HD3 -0.00 0.01 0.01 -0.04 1.68 1.66 1oh5A1 LYS 787 HE2 -0.00 -0.01 -0.02 -0.04 2.99 2.92 1oh5A1 LYS 787 HE3 -0.00 -0.01 -0.01 -0.04 2.99 2.92 1oh5A1 ARG 788 H -0.00 0.35 -0.07 -0.55 8.46 8.19 1oh5A1 ARG 788 HA -0.00 0.05 0.47 -0.75 4.34 4.10 1oh5A1 ARG 788 HB2 -0.00 0.04 0.13 -0.04 1.90 2.03 1oh5A1 ARG 788 HB3 -0.00 0.06 0.16 -0.04 1.80 1.98 1oh5A1 ARG 788 HG2 -0.00 0.01 0.01 -0.04 1.67 1.65 1oh5A1 ARG 788 HG3 -0.00 -0.04 -0.01 -0.04 1.67 1.58 1oh5A1 ARG 788 HD2 -0.00 0.02 0.04 -0.04 3.22 3.24 1oh5A1 ARG 788 HD3 -0.00 0.01 0.02 -0.04 3.22 3.21 1oh5A1 ALA 789 H -0.00 0.52 -0.22 -0.55 8.40 8.16 1oh5A1 ALA 789 HA -0.00 0.04 0.56 -0.75 4.34 4.18 1oh5A1 ALA 789 HB3 -0.00 0.02 0.07 -0.04 1.41 1.46 1oh5A1 ARG 790 H -0.00 0.61 -0.04 -0.55 8.46 8.48 1oh5A1 ARG 790 HA -0.01 -0.04 0.49 -0.75 4.34 4.03 1oh5A1 ARG 790 HB2 -0.00 0.20 0.20 -0.04 1.90 2.26 1oh5A1 ARG 790 HB3 -0.00 0.06 0.00 -0.04 1.80 1.82 1oh5A1 ARG 790 HG2 -0.01 0.01 0.02 -0.04 1.67 1.65 1oh5A1 ARG 790 HG3 -0.01 -0.08 0.08 -0.04 1.67 1.63 1oh5A1 ARG 790 HD2 0.00 -0.05 -0.01 -0.04 3.22 3.12 1oh5A1 ARG 790 HD3 0.00 0.04 -0.01 -0.04 3.22 3.22 1oh5A1 GLN 791 H -0.00 0.38 -0.37 -0.55 8.47 7.93 1oh5A1 GLN 791 HA -0.00 0.03 0.44 -0.75 4.36 4.07 1oh5A1 GLN 791 HB2 -0.00 0.10 0.17 -0.04 2.15 2.38 1oh5A1 GLN 791 HB3 -0.00 0.11 0.14 -0.04 2.02 2.23 1oh5A1 GLN 791 HG2 -0.00 -0.03 0.02 -0.04 2.40 2.34 1oh5A1 GLN 791 HG3 -0.00 -0.01 0.03 -0.04 2.39 2.37 1oh5A1 GLN 791 HE21 -0.00 -0.01 -0.01 -0.04 6.97 6.90 1oh5A1 GLN 791 HE22 -0.00 -0.01 -0.02 -0.04 7.69 7.62 1oh5A1 LYS 792 H -0.00 0.46 -0.08 -0.55 8.42 8.24 1oh5A1 LYS 792 HA -0.00 0.01 0.38 -0.75 4.32 3.95 1oh5A1 LYS 792 HB2 -0.00 0.03 0.16 -0.04 1.87 2.01 1oh5A1 LYS 792 HB3 -0.00 0.09 0.24 -0.04 1.79 2.07 1oh5A1 LYS 792 HG2 -0.00 -0.02 -0.01 -0.04 1.46 1.39 1oh5A1 LYS 792 HG3 -0.00 -0.05 -0.21 -0.04 1.46 1.16 1oh5A1 LYS 792 HD2 -0.00 -0.00 0.07 -0.04 1.69 1.71 1oh5A1 LYS 792 HD3 -0.00 0.01 0.02 -0.04 1.68 1.67 1oh5A1 LYS 792 HE2 0.00 -0.01 -0.01 -0.04 2.99 2.92 1oh5A1 LYS 792 HE3 0.00 -0.04 -0.01 -0.04 2.99 2.91 1oh5A1 LEU 793 H -0.01 0.69 -0.11 -0.55 8.37 8.40 1oh5A1 LEU 793 HA -0.01 -0.03 0.39 -0.75 4.35 3.94 1oh5A1 LEU 793 HB2 -0.02 -0.04 0.09 -0.04 1.64 1.63 1oh5A1 LEU 793 HB3 -0.02 0.13 0.17 -0.04 1.64 1.88 1oh5A1 LEU 793 HG -0.04 0.05 -0.19 -0.04 1.64 1.42 1oh5A1 LEU 793 HD13 -0.05 -0.03 0.05 -0.04 0.93 0.87 1oh5A1 LEU 793 HD23 -0.05 -0.02 0.01 -0.04 0.89 0.80 1oh5A1 ARG 794 H -0.01 0.49 -0.15 -0.55 8.46 8.23 1oh5A1 ARG 794 HA -0.02 0.06 0.69 -0.75 4.34 4.32 1oh5A1 ARG 794 HB2 -0.01 -0.00 0.07 -0.04 1.90 1.92 1oh5A1 ARG 794 HB3 -0.02 -0.02 0.09 -0.04 1.80 1.81 1oh5A1 ARG 794 HG2 -0.01 0.18 0.13 -0.04 1.67 1.93 1oh5A1 ARG 794 HG3 -0.01 -0.04 0.01 -0.04 1.67 1.59 1oh5A1 ARG 794 HD2 -0.01 0.06 0.10 -0.04 3.22 3.32 1oh5A1 ARG 794 HD3 -0.01 -0.02 -0.00 -0.04 3.22 3.15 1oh5A1 GLU 795 H -0.01 0.33 -0.20 -0.55 8.60 8.18 1oh5A1 GLU 795 HA -0.00 0.04 0.57 -0.75 4.29 4.14 1oh5A1 GLU 795 HB2 -0.00 0.12 0.28 -0.04 2.09 2.45 1oh5A1 GLU 795 HB3 0.00 -0.04 0.03 -0.04 1.99 1.94 1oh5A1 GLU 795 HG2 0.00 -0.03 0.03 -0.04 2.34 2.30 1oh5A1 GLU 795 HG3 -0.00 -0.01 0.07 -0.04 2.34 2.36 1oh5A1 LEU 796 H -0.00 0.51 -0.03 -0.55 8.37 8.31 1oh5A1 LEU 796 HA 0.01 0.03 0.37 -0.75 4.35 4.00 1oh5A1 LEU 796 HB2 0.00 0.12 0.17 -0.04 1.64 1.89 1oh5A1 LEU 796 HB3 0.02 -0.07 0.04 -0.04 1.64 1.59 1oh5A1 LEU 796 HG 0.01 0.09 0.02 -0.04 1.64 1.72 1oh5A1 LEU 796 HD13 0.01 -0.03 -0.02 -0.04 0.93 0.85 1oh5A1 LEU 796 HD23 0.02 -0.01 -0.00 -0.04 0.89 0.86 1oh5A1 GLU 797 H -0.01 0.29 -0.27 -0.55 8.60 8.06 1oh5A1 GLU 797 HA -0.01 -0.01 0.41 -0.75 4.29 3.93 1oh5A1 GLU 797 HB2 -0.02 0.00 0.21 -0.04 2.09 2.25 1oh5A1 GLU 797 HB3 -0.02 0.01 0.04 -0.04 1.99 1.98 1oh5A1 GLU 797 HG2 -0.05 -0.05 0.06 -0.04 2.34 2.26 1oh5A1 GLU 797 HG3 -0.04 0.07 0.04 -0.04 2.34 2.37 1oh5A1 SER 798 H -0.00 0.32 -0.48 -0.55 8.46 7.75 1oh5A1 SER 798 HA -0.00 0.12 0.40 -0.75 4.49 4.26 1oh5A1 SER 798 HB2 -0.00 -0.08 0.13 -0.04 3.95 3.96 1oh5A1 SER 798 HB3 -0.00 0.03 0.11 -0.04 3.93 4.02 1oh5A1 ILE 799 H 0.00 0.25 -0.50 -0.55 8.25 7.46 1oh5A1 ILE 799 HA 0.00 0.04 0.44 -0.75 4.18 3.91 1oh5A1 ILE 799 HB 0.01 -0.02 0.08 -0.04 1.89 1.92 1oh5A1 ILE 799 HG12 0.01 -0.04 0.02 -0.04 1.49 1.44 1oh5A1 ILE 799 HG13 0.01 0.13 0.08 -0.04 1.21 1.39 1oh5A1 ILE 799 HG23 -0.00 -0.03 -0.06 -0.04 0.93 0.80 1oh5A1 ILE 799 HD13 0.02 -0.03 0.04 -0.04 0.88 0.88 1oh5A1 SER 800 H 0.01 0.16 -0.12 -0.55 8.46 7.95 1oh5A1 SER 800 HA 0.00 0.15 0.57 -0.75 4.49 4.46 1oh5A1 SER 800 HB2 0.01 -0.05 0.03 -0.04 3.95 3.90 1oh5A1 SER 800 HB3 0.02 0.05 0.08 -0.04 3.93 4.03