============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 76 rings ring int. center anis. iso. TYR 2 0.840 82.840 -28.089 7.159 -99.200 -91.000 TRP 5 1.040 73.212 -22.898 -1.679 -99.200 -91.000 TRP6 5 1.020 72.966 -20.707 -2.575 -99.200 -91.000 PHE 6 1.000 68.929 -19.086 4.260 -99.200 -91.000 PHE 42 1.000 76.163 -18.553 2.252 -99.200 -91.000 TYR 49 0.840 80.514 -22.206 16.704 -99.200 -91.000 PHE 52 1.000 85.861 -20.465 13.979 -99.200 -91.000 HIS 55 0.900 93.398 -22.887 14.380 -99.200 -91.000 TRP 87 1.040 91.455 -16.891 23.502 -99.200 -91.000 TRP6 87 1.020 90.756 -18.172 25.356 -99.200 -91.000 PHE 93 1.000 85.095 -18.285 9.018 -99.200 -91.000 TRP 105 1.040 80.250 -13.445 -2.426 -99.200 -91.000 TRP6 105 1.020 78.784 -11.918 -1.401 -99.200 -91.000 PHE 128 1.000 68.581 -17.164 23.771 -99.200 -91.000 PHE 135 1.000 77.833 -8.105 12.658 -99.200 -91.000 HIS 149 0.900 86.512 -15.142 11.585 -99.200 -91.000 HIS 150 0.900 83.122 -8.928 14.561 -99.200 -91.000 PHE 152 1.000 80.910 -19.197 12.658 -99.200 -91.000 TYR 156 0.840 81.259 -20.088 23.366 -99.200 -91.000 TYR 163 0.840 68.828 -18.671 27.799 -99.200 -91.000 HIS 166 0.900 71.855 -17.463 35.225 -99.200 -91.000 PHE 169 1.000 71.229 -25.913 28.622 -99.200 -91.000 PHE 193 1.000 54.778 -9.882 17.585 -99.200 -91.000 TYR 201 0.840 40.266 -12.202 20.425 -99.200 -91.000 PHE 206 1.000 50.462 -5.264 17.642 -99.200 -91.000 TYR 211 0.840 58.004 6.178 7.209 -99.200 -91.000 PHE 227 1.000 49.126 0.046 10.678 -99.200 -91.000 TYR 228 0.840 45.774 -4.916 17.832 -99.200 -91.000 PHE 230 1.000 37.350 -10.658 13.903 -99.200 -91.000 HIS 250 0.900 60.403 10.393 18.167 -99.200 -91.000 PHE 255 1.000 71.078 -0.928 2.560 -99.200 -91.000 PHE 278 1.000 47.944 5.453 10.399 -99.200 -91.000 HIS 290 0.900 44.577 -11.835 2.745 -99.200 -91.000 TYR 291 0.840 52.279 -11.965 1.588 -99.200 -91.000 HIS 298 0.900 54.110 -25.195 6.175 -99.200 -91.000 TYR 299 0.840 56.534 -22.511 10.207 -99.200 -91.000 TRP 307 1.040 56.191 -6.564 8.267 -99.200 -91.000 TRP6 307 1.020 56.160 -4.507 7.112 -99.200 -91.000 TYR 317 0.840 60.957 -9.296 -1.330 -99.200 -91.000 TRP 352 1.040 69.606 -18.025 46.553 -99.200 -91.000 TRP6 352 1.020 68.326 -16.432 47.735 -99.200 -91.000 HIS 372 0.900 68.494 -18.578 38.971 -99.200 -91.000 PHE 407 1.000 50.489 -2.978 37.679 -99.200 -91.000 TYR 409 0.840 47.392 -5.378 42.323 -99.200 -91.000 PHE 431 1.000 41.544 -7.042 20.075 -99.200 -91.000 PHE 433 1.000 37.716 -5.867 29.318 -99.200 -91.000 PHE 448 1.000 38.952 5.121 26.097 -99.200 -91.000 HIS 457 0.900 30.322 19.589 18.642 -99.200 -91.000 PHE 464 1.000 39.944 22.075 8.395 -99.200 -91.000 TYR 482 0.840 42.528 7.940 10.592 -99.200 -91.000 PHE 488 1.000 40.611 11.773 13.835 -99.200 -91.000 TYR 489 0.840 32.570 12.118 15.106 -99.200 -91.000 TYR 505 0.840 32.334 -12.704 14.147 -99.200 -91.000 PHE 516 1.000 30.496 12.412 25.165 -99.200 -91.000 TYR 521 0.840 28.111 15.699 21.619 -99.200 -91.000 TYR 530 0.840 30.080 24.189 16.377 -99.200 -91.000 HIS 533 0.900 25.835 26.306 32.224 -99.200 -91.000 PHE 541 1.000 20.108 19.367 20.969 -99.200 -91.000 TYR 547 0.840 21.147 9.924 19.011 -99.200 -91.000 PHE 552 1.000 23.798 20.193 17.587 -99.200 -91.000 PHE 556 1.000 21.303 9.413 14.287 -99.200 -91.000 PHE 581 1.000 17.625 11.265 28.892 -99.200 -91.000 PHE 625 1.000 8.606 5.375 24.460 -99.200 -91.000 TYR 628 0.840 7.487 3.686 17.126 -99.200 -91.000 PHE 629 1.000 13.407 1.702 19.828 -99.200 -91.000 PHE 632 1.000 11.537 -1.272 26.144 -99.200 -91.000 PHE 657 1.000 21.111 5.786 42.332 -99.200 -91.000 HIS 669 0.900 5.780 -6.274 36.979 -99.200 -91.000 TYR 681 0.840 18.581 -7.919 25.115 -99.200 -91.000 HIS 692 0.900 22.771 -2.802 46.574 -99.200 -91.000 PHE 695 1.000 17.957 -4.258 41.034 -99.200 -91.000 TRP 698 1.040 12.113 -7.668 42.278 -99.200 -91.000 TRP6 698 1.020 12.094 -6.184 40.447 -99.200 -91.000 TRP 718 1.040 28.117 -17.665 35.038 -99.200 -91.000 TRP6 718 1.020 28.738 -17.333 32.789 -99.200 -91.000 TYR 720 0.840 24.005 -14.149 45.108 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2olsA1 ASN 4 HA 0.07 0.01 0.14 -0.75 4.76 4.22 2olsA1 ASN 4 HB2 -0.03 0.01 0.03 -0.04 2.88 2.84 2olsA1 ASN 4 HB3 -0.03 -0.04 -0.12 -0.04 2.79 2.55 2olsA1 ASN 4 HD21 0.03 0.03 -0.02 -0.04 7.03 7.02 2olsA1 ASN 4 HD22 -0.01 -0.02 -0.04 -0.04 7.74 7.62 2olsA1 TYR 5 H 0.09 0.15 0.09 -0.55 8.29 8.08 2olsA1 TYR 5 HA 0.01 0.04 0.94 -0.75 4.56 4.80 2olsA1 TYR 5 HB2 -0.01 0.03 0.12 -0.04 3.06 3.15 2olsA1 TYR 5 HB3 -0.03 -0.02 0.00 -0.04 2.98 2.89 2olsA1 TYR 5 HD2 -0.00 0.03 -0.30 -0.04 7.15 6.83 2olsA1 TYR 5 HE2 0.02 -0.05 -0.13 -0.04 6.85 6.65 2olsA1 VAL 6 H 0.10 0.17 0.13 -0.55 8.24 8.08 2olsA1 VAL 6 HA 0.04 0.34 1.01 -0.75 4.13 4.76 2olsA1 VAL 6 HB -0.07 -0.02 0.05 -0.04 2.12 2.04 2olsA1 VAL 6 HG13 -0.40 0.00 -0.20 -0.04 0.97 0.33 2olsA1 VAL 6 HG23 -0.06 -0.02 -0.24 -0.04 0.95 0.58 2olsA1 ILE 7 H 0.02 0.75 0.25 -0.55 8.25 8.72 2olsA1 ILE 7 HA 0.13 0.16 0.83 -0.75 4.18 4.55 2olsA1 ILE 7 HB 0.09 -0.04 -0.08 -0.04 1.89 1.82 2olsA1 ILE 7 HG12 0.09 0.13 -0.34 -0.04 1.49 1.33 2olsA1 ILE 7 HG13 0.08 -0.03 -0.45 -0.04 1.21 0.77 2olsA1 ILE 7 HG23 0.14 0.05 -0.17 -0.04 0.93 0.92 2olsA1 ILE 7 HD13 0.08 0.00 -0.14 -0.04 0.88 0.79 2olsA1 TRP 8 H 0.43 0.17 0.11 -0.55 7.97 8.13 2olsA1 TRP 8 HA -0.07 0.17 0.83 -0.75 4.62 4.79 2olsA1 TRP 8 HB2 0.02 0.01 0.14 -0.04 3.23 3.35 2olsA1 TRP 8 HB3 0.02 -0.04 0.06 -0.04 3.23 3.22 2olsA1 TRP 8 HD1 -0.03 0.01 0.01 -0.04 7.22 7.17 2olsA1 TRP 8 HE1 -0.09 0.02 -0.05 -0.04 10.20 10.04 2olsA1 TRP 8 HE3 0.00 -0.05 0.14 -0.04 7.59 7.64 2olsA1 TRP 8 HZ2 -0.08 0.01 0.10 -0.04 7.44 7.43 2olsA1 TRP 8 HZ3 0.02 -0.04 0.00 -0.04 7.13 7.06 2olsA1 TRP 8 HH2 -0.01 -0.06 -0.10 -0.04 7.19 6.98 2olsA1 PHE 9 H -0.18 0.45 0.22 -0.55 8.34 8.28 2olsA1 PHE 9 HA 0.10 0.06 0.27 -0.75 4.62 4.30 2olsA1 PHE 9 HB2 0.14 -0.06 0.07 -0.04 3.15 3.26 2olsA1 PHE 9 HB3 0.08 0.07 -0.17 -0.04 3.06 3.00 2olsA1 PHE 9 HD2 0.04 0.01 -0.14 -0.04 7.28 7.15 2olsA1 PHE 9 HE2 -0.05 0.03 -0.29 -0.04 7.38 7.03 2olsA1 PHE 9 HZ -0.12 -0.10 -0.23 -0.04 7.32 6.83 2olsA1 GLU 10 H 0.35 0.05 -0.14 -0.55 8.60 8.31 2olsA1 GLU 10 HA 0.16 0.11 0.33 -0.75 4.29 4.13 2olsA1 GLU 10 HB2 0.09 0.08 0.07 -0.04 2.09 2.28 2olsA1 GLU 10 HB3 0.16 -0.04 0.08 -0.04 1.99 2.16 2olsA1 GLU 10 HG2 0.21 -0.14 -0.11 -0.04 2.34 2.25 2olsA1 GLU 10 HG3 0.06 0.06 -0.22 -0.04 2.34 2.19 2olsA1 ASN 11 H 0.23 0.34 -0.52 -0.55 8.53 8.04 2olsA1 ASN 11 HA 0.10 0.19 0.86 -0.75 4.76 5.15 2olsA1 ASN 11 HB2 0.17 0.02 0.05 -0.04 2.88 3.08 2olsA1 ASN 11 HB3 0.10 -0.04 0.16 -0.04 2.79 2.97 2olsA1 ASN 11 HD21 0.03 -0.00 -0.01 -0.04 7.03 7.01 2olsA1 ASN 11 HD22 0.19 -0.08 0.05 -0.04 7.74 7.85 2olsA1 LEU 12 H 0.17 0.70 -0.04 -0.55 8.37 8.65 2olsA1 LEU 12 HA 0.11 0.08 0.84 -0.75 4.35 4.62 2olsA1 LEU 12 HB2 0.20 0.06 0.11 -0.04 1.64 1.96 2olsA1 LEU 12 HB3 0.12 -0.03 0.04 -0.04 1.64 1.73 2olsA1 LEU 12 HG 0.18 0.05 -0.37 -0.04 1.64 1.45 2olsA1 LEU 12 HD13 0.27 -0.03 -0.25 -0.04 0.93 0.88 2olsA1 LEU 12 HD23 0.11 0.00 -0.09 -0.04 0.89 0.86 2olsA1 ARG 13 H 0.08 0.16 0.19 -0.55 8.46 8.34 2olsA1 ARG 13 HA 0.07 0.25 0.54 -0.75 4.34 4.45 2olsA1 ARG 13 HB2 0.05 -0.11 -0.05 -0.04 1.90 1.75 2olsA1 ARG 13 HB3 0.05 -0.05 0.12 -0.04 1.80 1.88 2olsA1 ARG 13 HG2 0.06 0.02 -0.57 -0.04 1.67 1.14 2olsA1 ARG 13 HG3 0.04 -0.01 -0.12 -0.04 1.67 1.55 2olsA1 ARG 13 HD2 0.05 0.28 -0.07 -0.04 3.22 3.44 2olsA1 ARG 13 HD3 0.04 0.01 -0.09 -0.04 3.22 3.14 2olsA1 MET 14 H 0.07 0.26 0.12 -0.55 8.47 8.38 2olsA1 MET 14 HA 0.09 0.07 0.26 -0.75 4.52 4.20 2olsA1 MET 14 HB2 0.14 0.06 0.07 -0.04 2.15 2.38 2olsA1 MET 14 HB3 0.08 0.05 0.02 -0.04 2.03 2.14 2olsA1 MET 14 HG2 0.19 0.11 -0.01 -0.04 2.63 2.88 2olsA1 MET 14 HG3 0.10 -0.05 0.05 -0.04 2.56 2.63 2olsA1 MET 14 HE3 0.05 -0.00 0.03 -0.04 2.10 2.14 2olsA1 THR 15 H 0.05 0.08 -0.25 -0.55 8.28 7.61 2olsA1 THR 15 HA 0.04 0.18 0.60 -0.75 4.39 4.45 2olsA1 THR 15 HB 0.03 0.03 0.12 -0.04 4.32 4.46 2olsA1 THR 15 HG23 0.03 0.02 -0.00 -0.04 1.22 1.22 2olsA1 ASP 16 H 0.06 0.44 -0.51 -0.55 8.40 7.83 2olsA1 ASP 16 HA 0.04 0.18 0.74 -0.75 4.63 4.85 2olsA1 ASP 16 HB2 0.07 0.15 0.13 -0.04 2.71 3.02 2olsA1 ASP 16 HB3 0.06 -0.07 0.16 -0.04 2.70 2.81 2olsA1 VAL 17 H 0.04 0.36 -0.47 -0.55 8.24 7.62 2olsA1 VAL 17 HA 0.03 0.09 0.02 -0.75 4.13 3.52 2olsA1 VAL 17 HB 0.03 0.06 -0.01 -0.04 2.12 2.16 2olsA1 VAL 17 HG13 0.02 -0.01 -0.19 -0.04 0.97 0.74 2olsA1 VAL 17 HG23 0.04 0.11 0.01 -0.04 0.95 1.08 2olsA1 GLU 18 H 0.02 0.18 -0.31 -0.55 8.60 7.94 2olsA1 GLU 18 HA -0.00 0.18 0.57 -0.75 4.29 4.28 2olsA1 GLU 18 HB2 0.01 -0.00 -0.00 -0.04 2.09 2.05 2olsA1 GLU 18 HB3 0.00 0.03 0.06 -0.04 1.99 2.04 2olsA1 GLU 18 HG2 0.01 -0.08 -0.05 -0.04 2.34 2.19 2olsA1 GLU 18 HG3 0.01 0.04 0.00 -0.04 2.34 2.35 2olsA1 ARG 19 H 0.03 0.29 -0.23 -0.55 8.46 7.99 2olsA1 ARG 19 HA 0.02 0.03 0.72 -0.75 4.34 4.35 2olsA1 ARG 19 HB2 0.04 0.03 0.12 -0.04 1.90 2.05 2olsA1 ARG 19 HB3 0.05 0.05 -0.03 -0.04 1.80 1.83 2olsA1 ARG 19 HG2 0.05 -0.07 0.06 -0.04 1.67 1.66 2olsA1 ARG 19 HG3 0.03 0.00 -0.02 -0.04 1.67 1.64 2olsA1 ARG 19 HD2 0.05 0.01 -0.01 -0.04 3.22 3.23 2olsA1 ARG 19 HD3 0.04 0.02 -0.01 -0.04 3.22 3.22 2olsA1 VAL 20 H 0.03 0.41 0.08 -0.55 8.24 8.21 2olsA1 VAL 20 HA 0.03 0.24 0.90 -0.75 4.13 4.55 2olsA1 VAL 20 HB 0.09 -0.07 0.05 -0.04 2.12 2.15 2olsA1 VAL 20 HG13 0.08 0.02 -0.26 -0.04 0.97 0.77 2olsA1 VAL 20 HG23 0.08 0.08 -0.21 -0.04 0.95 0.86 2olsA1 GLY 21 H 0.01 0.19 -0.22 -0.55 8.43 7.86 2olsA1 GLY 21 HA2 0.00 0.16 0.22 -0.51 4.01 3.89 2olsA1 GLY 21 HA3 -0.00 0.21 0.35 -0.51 4.01 4.06 2olsA1 GLY 22 H 0.01 0.31 0.12 -0.55 8.43 8.32 2olsA1 GLY 22 HA2 0.02 0.06 0.35 -0.51 4.01 3.93 2olsA1 GLY 22 HA3 0.01 0.15 0.33 -0.51 4.01 3.99 2olsA1 LYS 23 H -0.01 0.09 -0.10 -0.55 8.42 7.84 2olsA1 LYS 23 HA -0.04 0.18 0.41 -0.75 4.32 4.11 2olsA1 LYS 23 HB2 -0.03 -0.05 0.10 -0.04 1.87 1.85 2olsA1 LYS 23 HB3 -0.05 0.02 -0.08 -0.04 1.79 1.64 2olsA1 LYS 23 HG2 -0.05 0.01 -0.03 -0.04 1.46 1.35 2olsA1 LYS 23 HG3 -0.03 0.02 -0.02 -0.04 1.46 1.39 2olsA1 LYS 23 HD2 -0.03 -0.07 0.12 -0.04 1.69 1.67 2olsA1 LYS 23 HD3 -0.04 0.05 0.04 -0.04 1.68 1.69 2olsA1 LYS 23 HE2 -0.04 -0.04 -0.02 -0.04 2.99 2.86 2olsA1 LYS 23 HE3 -0.04 -0.03 -0.07 -0.04 2.99 2.81 2olsA1 ASN 24 H -0.00 0.21 -0.25 -0.55 8.53 7.94 2olsA1 ASN 24 HA -0.15 0.07 0.39 -0.75 4.76 4.31 2olsA1 ASN 24 HB2 0.08 0.25 -0.02 -0.04 2.88 3.15 2olsA1 ASN 24 HB3 0.21 -0.04 -0.10 -0.04 2.79 2.81 2olsA1 ASN 24 HD21 0.09 -0.09 -0.41 -0.04 7.03 6.59 2olsA1 ASN 24 HD22 0.09 0.16 -0.04 -0.04 7.74 7.92 2olsA1 ALA 25 H 0.03 0.48 -0.32 -0.55 8.40 8.04 2olsA1 ALA 25 HA 0.07 -0.00 0.28 -0.75 4.34 3.93 2olsA1 ALA 25 HB3 0.06 0.02 -0.08 -0.04 1.41 1.36 2olsA1 SER 26 H 0.02 0.53 -0.28 -0.55 8.46 8.19 2olsA1 SER 26 HA 0.18 -0.01 0.42 -0.75 4.49 4.34 2olsA1 SER 26 HB2 -0.00 0.04 0.16 -0.04 3.95 4.10 2olsA1 SER 26 HB3 -0.03 0.08 0.18 -0.04 3.93 4.12 2olsA1 LEU 27 H -0.09 0.38 -0.28 -0.55 8.37 7.83 2olsA1 LEU 27 HA -0.11 0.04 0.40 -0.75 4.35 3.93 2olsA1 LEU 27 HB2 -0.41 0.08 0.19 -0.04 1.64 1.46 2olsA1 LEU 27 HB3 -0.72 -0.06 -0.09 -0.04 1.64 0.72 2olsA1 LEU 27 HG -0.38 0.05 -0.00 -0.04 1.64 1.26 2olsA1 LEU 27 HD13 -0.15 0.11 0.05 -0.04 0.93 0.90 2olsA1 LEU 27 HD23 -0.83 -0.03 -0.08 -0.04 0.89 -0.09 2olsA1 GLY 28 H -0.02 0.49 -0.22 -0.55 8.43 8.15 2olsA1 GLY 28 HA2 0.12 -0.03 0.37 -0.51 4.01 3.96 2olsA1 GLY 28 HA3 0.11 0.04 0.18 -0.51 4.01 3.84 2olsA1 GLU 29 H 0.07 0.52 -0.29 -0.55 8.60 8.35 2olsA1 GLU 29 HA 0.03 0.01 0.49 -0.75 4.29 4.06 2olsA1 GLU 29 HB2 0.11 -0.08 0.04 -0.04 2.09 2.11 2olsA1 GLU 29 HB3 0.17 0.17 0.09 -0.04 1.99 2.38 2olsA1 GLU 29 HG2 0.00 0.04 -0.04 -0.04 2.34 2.30 2olsA1 GLU 29 HG3 -0.08 0.04 -0.15 -0.04 2.34 2.11 2olsA1 MET 30 H 0.04 0.52 -0.31 -0.55 8.47 8.16 2olsA1 MET 30 HA -0.12 0.04 0.53 -0.75 4.52 4.21 2olsA1 MET 30 HB2 0.00 0.13 0.05 -0.04 2.15 2.29 2olsA1 MET 30 HB3 -0.01 -0.08 -0.13 -0.04 2.03 1.77 2olsA1 MET 30 HG2 0.12 -0.03 -0.07 -0.04 2.63 2.61 2olsA1 MET 30 HG3 0.18 0.23 -0.03 -0.04 2.56 2.90 2olsA1 MET 30 HE3 -0.00 -0.00 -0.30 -0.04 2.10 1.75 2olsA1 ILE 31 H 0.01 0.56 -0.10 -0.55 8.25 8.18 2olsA1 ILE 31 HA 0.01 0.00 0.43 -0.75 4.18 3.88 2olsA1 ILE 31 HB 0.09 0.08 0.07 -0.04 1.89 2.09 2olsA1 ILE 31 HG12 0.08 -0.01 -0.04 -0.04 1.49 1.47 2olsA1 ILE 31 HG13 0.02 0.14 0.00 -0.04 1.21 1.33 2olsA1 ILE 31 HG23 0.10 -0.03 -0.13 -0.04 0.93 0.83 2olsA1 ILE 31 HD13 0.19 -0.01 -0.18 -0.04 0.88 0.83 2olsA1 SER 32 H 0.02 0.72 -0.08 -0.55 8.46 8.58 2olsA1 SER 32 HA 0.02 0.01 0.42 -0.75 4.49 4.19 2olsA1 SER 32 HB2 0.03 -0.09 0.11 -0.04 3.95 3.96 2olsA1 SER 32 HB3 0.05 0.12 0.17 -0.04 3.93 4.23 2olsA1 GLN 33 H -0.08 0.25 -0.33 -0.55 8.47 7.76 2olsA1 GLN 33 HA -0.05 0.17 0.90 -0.75 4.36 4.62 2olsA1 GLN 33 HB2 -0.41 0.14 0.11 -0.04 2.15 1.95 2olsA1 GLN 33 HB3 -0.16 -0.05 0.05 -0.04 2.02 1.82 2olsA1 GLN 33 HG2 -0.04 0.07 0.04 -0.04 2.40 2.43 2olsA1 GLN 33 HG3 0.05 -0.05 0.02 -0.04 2.39 2.36 2olsA1 GLN 33 HE21 0.01 -0.02 -0.10 -0.04 6.97 6.82 2olsA1 GLN 33 HE22 0.01 -0.05 -0.26 -0.04 7.69 7.35 2olsA1 LEU 34 H -0.11 0.54 0.08 -0.55 8.37 8.32 2olsA1 LEU 34 HA -0.09 0.16 0.75 -0.75 4.35 4.41 2olsA1 LEU 34 HB2 -0.09 0.11 0.06 -0.04 1.64 1.67 2olsA1 LEU 34 HB3 -0.07 -0.06 0.03 -0.04 1.64 1.50 2olsA1 LEU 34 HG -0.42 -0.01 -0.06 -0.04 1.64 1.11 2olsA1 LEU 34 HD13 -0.10 -0.01 -0.08 -0.04 0.93 0.70 2olsA1 LEU 34 HD23 -0.24 0.03 -0.14 -0.04 0.89 0.51 2olsA1 THR 35 H -0.04 0.31 -0.00 -0.55 8.28 8.00 2olsA1 THR 35 HA -0.05 0.36 0.42 -0.75 4.39 4.37 2olsA1 THR 35 HB -0.02 0.00 0.17 -0.04 4.32 4.43 2olsA1 THR 35 HG23 -0.00 -0.01 0.20 -0.04 1.22 1.37 2olsA1 GLU 36 H -0.02 0.15 -0.28 -0.55 8.60 7.90 2olsA1 GLU 36 HA -0.01 0.07 0.58 -0.75 4.29 4.16 2olsA1 GLU 36 HB2 -0.01 -0.01 0.05 -0.04 2.09 2.07 2olsA1 GLU 36 HB3 -0.01 -0.02 0.06 -0.04 1.99 1.97 2olsA1 GLU 36 HG2 -0.03 0.05 -0.09 -0.04 2.34 2.23 2olsA1 GLU 36 HG3 -0.02 0.03 -0.10 -0.04 2.34 2.21 2olsA1 LYS 37 H -0.03 0.14 -0.31 -0.55 8.42 7.67 2olsA1 LYS 37 HA -0.00 0.12 0.75 -0.75 4.32 4.43 2olsA1 LYS 37 HB2 -0.02 0.02 0.15 -0.04 1.87 1.99 2olsA1 LYS 37 HB3 0.01 -0.03 0.19 -0.04 1.79 1.92 2olsA1 LYS 37 HG2 -0.00 -0.00 0.02 -0.04 1.46 1.43 2olsA1 LYS 37 HG3 -0.01 0.04 0.03 -0.04 1.46 1.48 2olsA1 LYS 37 HD2 0.02 0.00 0.01 -0.04 1.69 1.68 2olsA1 LYS 37 HD3 0.01 0.01 0.04 -0.04 1.68 1.70 2olsA1 LYS 37 HE2 0.01 0.00 0.05 -0.04 2.99 3.01 2olsA1 LYS 37 HE3 0.01 -0.02 0.01 -0.04 2.99 2.95 2olsA1 GLY 38 H -0.01 0.43 -0.54 -0.55 8.43 7.77 2olsA1 GLY 38 HA2 0.00 -0.02 0.24 -0.51 4.01 3.73 2olsA1 GLY 38 HA3 0.09 0.06 0.35 -0.51 4.01 3.99 2olsA1 VAL 39 H -0.05 0.34 -0.27 -0.55 8.24 7.71 2olsA1 VAL 39 HA -0.48 0.03 0.49 -0.75 4.13 3.41 2olsA1 VAL 39 HB -0.08 -0.01 -0.19 -0.04 2.12 1.80 2olsA1 VAL 39 HG13 -0.10 -0.03 -0.25 -0.04 0.97 0.54 2olsA1 VAL 39 HG23 -0.00 0.02 -0.11 -0.04 0.95 0.82 2olsA1 ARG 40 H -0.38 0.16 0.15 -0.55 8.46 7.84 2olsA1 ARG 40 HA -0.09 0.16 0.84 -0.75 4.34 4.50 2olsA1 ARG 40 HB2 -0.44 0.15 0.25 -0.04 1.90 1.82 2olsA1 ARG 40 HB3 -0.49 -0.11 0.04 -0.04 1.80 1.20 2olsA1 ARG 40 HG2 -0.12 -0.01 -0.02 -0.04 1.67 1.48 2olsA1 ARG 40 HG3 -0.20 0.10 -0.12 -0.04 1.67 1.42 2olsA1 ARG 40 HD2 -1.03 -0.09 -0.10 -0.04 3.22 1.97 2olsA1 ARG 40 HD3 -0.21 -0.04 -0.05 -0.04 3.22 2.88 2olsA1 VAL 41 H 0.03 0.24 0.07 -0.55 8.24 8.04 2olsA1 VAL 41 HA 0.10 0.35 1.06 -0.75 4.13 4.89 2olsA1 VAL 41 HB 0.00 0.14 -0.00 -0.04 2.12 2.22 2olsA1 VAL 41 HG13 -0.01 -0.04 -0.27 -0.04 0.97 0.61 2olsA1 VAL 41 HG23 -0.00 -0.00 -0.11 -0.04 0.95 0.79 2olsA1 PRO 42 HA 0.11 -0.01 0.61 -0.51 4.44 4.64 2olsA1 PRO 42 HB2 0.05 0.06 0.06 -0.04 2.28 2.40 2olsA1 PRO 42 HB3 -0.01 -0.04 0.04 -0.04 2.02 1.96 2olsA1 PRO 42 HG2 -0.02 -0.01 0.02 -0.04 2.03 1.98 2olsA1 PRO 42 HG3 -0.08 -0.05 -0.04 -0.04 2.03 1.81 2olsA1 PRO 42 HD2 0.04 0.16 0.27 -0.04 3.68 4.10 2olsA1 PRO 42 HD3 0.15 0.24 0.19 -0.04 3.65 4.19 2olsA1 GLY 43 H 0.14 0.05 0.19 -0.55 8.43 8.27 2olsA1 GLY 43 HA2 0.34 0.13 0.53 -0.51 4.01 4.50 2olsA1 GLY 43 HA3 0.24 0.02 0.39 -0.51 4.01 4.15 2olsA1 GLY 44 H 0.21 0.18 0.28 -0.55 8.43 8.56 2olsA1 GLY 44 HA2 -0.23 0.01 0.42 -0.51 4.01 3.70 2olsA1 GLY 44 HA3 -0.25 0.32 0.78 -0.51 4.01 4.35 2olsA1 PHE 45 H -1.13 0.52 0.36 -0.55 8.34 7.55 2olsA1 PHE 45 HA -1.08 0.07 0.91 -0.75 4.62 3.76 2olsA1 PHE 45 HB2 -0.70 0.07 -0.08 -0.04 3.15 2.40 2olsA1 PHE 45 HB3 -1.61 -0.00 -0.18 -0.04 3.06 1.23 2olsA1 PHE 45 HD2 -0.59 0.04 -0.30 -0.04 7.28 6.38 2olsA1 PHE 45 HE2 -0.08 -0.00 -0.16 -0.04 7.38 7.10 2olsA1 PHE 45 HZ 0.02 -0.02 -0.08 -0.04 7.32 7.19 2olsA1 ALA 46 H -0.13 0.79 0.38 -0.55 8.40 8.90 2olsA1 ALA 46 HA 0.01 0.33 1.14 -0.75 4.34 5.06 2olsA1 ALA 46 HB3 0.17 0.02 0.02 -0.04 1.41 1.57 2olsA1 THR 47 H 0.08 0.41 0.36 -0.55 8.28 8.58 2olsA1 THR 47 HA 0.07 0.33 1.09 -0.75 4.39 5.13 2olsA1 THR 47 HB 0.03 -0.01 0.25 -0.04 4.32 4.55 2olsA1 THR 47 HG23 0.07 0.01 0.06 -0.04 1.22 1.32 2olsA1 THR 48 H 0.01 0.21 0.33 -0.55 8.28 8.29 2olsA1 THR 48 HA 0.03 0.41 0.82 -0.75 4.39 4.89 2olsA1 THR 48 HB 0.05 -0.07 0.17 -0.04 4.32 4.43 2olsA1 THR 48 HG23 0.08 0.06 -0.33 -0.04 1.22 0.99 2olsA1 ALA 49 H 0.00 0.52 0.34 -0.55 8.40 8.72 2olsA1 ALA 49 HA -0.05 0.08 0.43 -0.75 4.34 4.05 2olsA1 ALA 49 HB3 -0.02 0.03 0.14 -0.04 1.41 1.52 2olsA1 GLU 50 H 0.03 0.16 -0.06 -0.55 8.60 8.18 2olsA1 GLU 50 HA 0.02 0.11 0.67 -0.75 4.29 4.34 2olsA1 GLU 50 HB2 0.10 -0.00 0.06 -0.04 2.09 2.21 2olsA1 GLU 50 HB3 0.06 0.05 0.07 -0.04 1.99 2.13 2olsA1 GLU 50 HG2 0.10 0.03 0.05 -0.04 2.34 2.48 2olsA1 GLU 50 HG3 0.18 0.00 -0.08 -0.04 2.34 2.39 2olsA1 ALA 51 H -0.10 0.16 -0.15 -0.55 8.40 7.77 2olsA1 ALA 51 HA -1.06 -0.00 0.64 -0.75 4.34 3.16 2olsA1 ALA 51 HB3 -0.25 0.07 0.25 -0.04 1.41 1.43 2olsA1 TYR 52 H -0.06 0.45 -0.11 -0.55 8.29 8.02 2olsA1 TYR 52 HA -0.32 0.03 0.43 -0.75 4.56 3.94 2olsA1 TYR 52 HB2 -0.39 0.21 0.22 -0.04 3.06 3.06 2olsA1 TYR 52 HB3 -0.17 0.13 0.22 -0.04 2.98 3.12 2olsA1 TYR 52 HD2 -0.74 0.05 -0.07 -0.04 7.15 6.35 2olsA1 TYR 52 HE2 -0.08 0.05 0.04 -0.04 6.85 6.81 2olsA1 ARG 53 H 0.05 0.42 -0.06 -0.55 8.46 8.31 2olsA1 ARG 53 HA 0.09 0.08 0.49 -0.75 4.34 4.24 2olsA1 ARG 53 HB2 0.03 0.03 0.14 -0.04 1.90 2.06 2olsA1 ARG 53 HB3 0.04 -0.03 -0.02 -0.04 1.80 1.75 2olsA1 ARG 53 HG2 0.10 0.04 0.06 -0.04 1.67 1.83 2olsA1 ARG 53 HG3 0.04 -0.04 -0.03 -0.04 1.67 1.61 2olsA1 ARG 53 HD2 0.04 -0.02 -0.04 -0.04 3.22 3.16 2olsA1 ARG 53 HD3 0.07 -0.01 -0.04 -0.04 3.22 3.20 2olsA1 ALA 54 H -0.06 0.47 -0.24 -0.55 8.40 8.02 2olsA1 ALA 54 HA 0.03 0.02 0.48 -0.75 4.34 4.12 2olsA1 ALA 54 HB3 -0.03 0.01 0.15 -0.04 1.41 1.50 2olsA1 PHE 55 H 0.01 0.58 0.00 -0.55 8.34 8.38 2olsA1 PHE 55 HA -0.02 -0.01 0.50 -0.75 4.62 4.34 2olsA1 PHE 55 HB2 -0.11 -0.09 0.16 -0.04 3.15 3.07 2olsA1 PHE 55 HB3 -0.29 0.11 0.22 -0.04 3.06 3.06 2olsA1 PHE 55 HD2 -0.15 -0.02 -0.03 -0.04 7.28 7.03 2olsA1 PHE 55 HE2 0.08 0.07 -0.20 -0.04 7.38 7.29 2olsA1 PHE 55 HZ 0.14 0.29 0.04 -0.04 7.32 7.75 2olsA1 LEU 56 H -0.06 0.45 -0.28 -0.55 8.37 7.93 2olsA1 LEU 56 HA -0.37 0.09 0.33 -0.75 4.35 3.65 2olsA1 LEU 56 HB2 -0.17 0.23 0.15 -0.04 1.64 1.81 2olsA1 LEU 56 HB3 -0.01 -0.00 0.04 -0.04 1.64 1.63 2olsA1 LEU 56 HG -0.03 -0.13 -0.00 -0.04 1.64 1.44 2olsA1 LEU 56 HD13 -0.03 0.01 -0.05 -0.04 0.93 0.83 2olsA1 LEU 56 HD23 0.24 0.00 -0.01 -0.04 0.89 1.08 2olsA1 ALA 57 H -0.04 0.42 -0.34 -0.55 8.40 7.89 2olsA1 ALA 57 HA -0.03 -0.07 0.46 -0.75 4.34 3.94 2olsA1 ALA 57 HB3 -0.00 0.05 0.14 -0.04 1.41 1.55 2olsA1 HIS 58 H -0.04 0.40 -0.48 -0.55 8.41 7.74 2olsA1 HIS 58 HA -0.08 -0.07 0.28 -0.75 4.63 4.01 2olsA1 HIS 58 HB2 -0.16 0.16 0.18 -0.04 3.26 3.41 2olsA1 HIS 58 HB3 -0.23 0.03 0.20 -0.04 3.20 3.16 2olsA1 HIS 58 HD2 -0.03 -0.07 0.03 -0.04 6.97 6.85 2olsA1 HIS 58 HE1 -0.05 -0.00 0.01 -0.04 7.75 7.67 2olsA1 ASN 59 H -0.24 0.11 0.27 -0.55 8.53 8.12 2olsA1 ASN 59 HA -0.22 -0.01 0.41 -0.75 4.76 4.18 2olsA1 ASN 59 HB2 -0.53 0.15 -0.36 -0.04 2.88 2.10 2olsA1 ASN 59 HB3 -0.26 0.01 0.21 -0.04 2.79 2.71 2olsA1 ASN 59 HD21 -0.19 -0.02 0.01 -0.04 7.03 6.79 2olsA1 ASN 59 HD22 -0.22 0.05 0.00 -0.04 7.74 7.53 2olsA1 GLY 60 H -0.12 0.11 0.03 -0.55 8.43 7.89 2olsA1 GLY 60 HA2 -0.12 0.28 -0.34 -0.51 4.01 3.32 2olsA1 GLY 60 HA3 -0.09 0.00 0.27 -0.51 4.01 3.69 2olsA1 LEU 61 H -0.13 0.79 -0.27 -0.55 8.37 8.21 2olsA1 LEU 61 HA -0.21 -0.02 0.38 -0.75 4.35 3.75 2olsA1 LEU 61 HB2 -0.11 0.14 0.10 -0.04 1.64 1.73 2olsA1 LEU 61 HB3 -0.11 0.19 0.08 -0.04 1.64 1.76 2olsA1 LEU 61 HG -0.01 -0.06 -0.23 -0.04 1.64 1.30 2olsA1 LEU 61 HD13 -0.01 -0.03 -0.01 -0.04 0.93 0.84 2olsA1 LEU 61 HD23 -0.08 0.01 -0.13 -0.04 0.89 0.66 2olsA1 SER 62 H -0.06 0.37 -0.26 -0.55 8.46 7.96 2olsA1 SER 62 HA -0.00 0.03 0.28 -0.75 4.49 4.04 2olsA1 SER 62 HB2 -0.01 0.12 -0.21 -0.04 3.95 3.81 2olsA1 SER 62 HB3 -0.01 -0.06 -0.04 -0.04 3.93 3.78 2olsA1 GLU 63 H -0.05 0.30 -0.25 -0.55 8.60 8.06 2olsA1 GLU 63 HA -0.00 0.08 0.48 -0.75 4.29 4.10 2olsA1 GLU 63 HB2 -0.03 0.01 -0.04 -0.04 2.09 1.99 2olsA1 GLU 63 HB3 -0.01 0.00 0.05 -0.04 1.99 1.99 2olsA1 GLU 63 HG2 -0.06 0.26 0.13 -0.04 2.34 2.63 2olsA1 GLU 63 HG3 -0.04 -0.03 0.03 -0.04 2.34 2.27 2olsA1 ARG 64 H -0.10 0.34 -0.12 -0.55 8.46 8.02 2olsA1 ARG 64 HA -0.08 0.04 0.64 -0.75 4.34 4.19 2olsA1 ARG 64 HB2 -0.29 -0.01 0.08 -0.04 1.90 1.64 2olsA1 ARG 64 HB3 -0.34 0.13 0.15 -0.04 1.80 1.70 2olsA1 ARG 64 HG2 -0.88 0.02 -0.22 -0.04 1.67 0.55 2olsA1 ARG 64 HG3 -0.23 -0.06 0.03 -0.04 1.67 1.37 2olsA1 ARG 64 HD2 -0.94 -0.02 -0.03 -0.04 3.22 2.18 2olsA1 ARG 64 HD3 -0.44 -0.02 -0.00 -0.04 3.22 2.71 2olsA1 ILE 65 H 0.01 0.66 -0.05 -0.55 8.25 8.32 2olsA1 ILE 65 HA 0.27 0.00 0.47 -0.75 4.18 4.17 2olsA1 ILE 65 HB -0.01 0.14 0.16 -0.04 1.89 2.14 2olsA1 ILE 65 HG12 0.16 -0.06 0.03 -0.04 1.49 1.58 2olsA1 ILE 65 HG13 0.16 0.08 0.04 -0.04 1.21 1.45 2olsA1 ILE 65 HG23 -0.25 -0.00 -0.12 -0.04 0.93 0.52 2olsA1 ILE 65 HD13 -0.13 -0.01 -0.08 -0.04 0.88 0.63 2olsA1 SER 66 H 0.03 0.55 -0.03 -0.55 8.46 8.48 2olsA1 SER 66 HA 0.06 0.06 0.33 -0.75 4.49 4.19 2olsA1 SER 66 HB2 0.05 -0.02 0.04 -0.04 3.95 3.98 2olsA1 SER 66 HB3 0.03 0.10 0.20 -0.04 3.93 4.22 2olsA1 ALA 67 H 0.03 0.39 -0.49 -0.55 8.40 7.79 2olsA1 ALA 67 HA 0.03 0.00 0.55 -0.75 4.34 4.18 2olsA1 ALA 67 HB3 0.02 0.02 0.13 -0.04 1.41 1.53 2olsA1 ALA 68 H 0.11 0.49 -0.06 -0.55 8.40 8.39 2olsA1 ALA 68 HA 0.09 -0.01 0.37 -0.75 4.34 4.04 2olsA1 ALA 68 HB3 0.16 -0.01 0.11 -0.04 1.41 1.64 2olsA1 LEU 69 H 0.08 0.59 -0.03 -0.55 8.37 8.46 2olsA1 LEU 69 HA 0.06 -0.04 0.27 -0.75 4.35 3.88 2olsA1 LEU 69 HB2 0.08 0.06 -0.01 -0.04 1.64 1.73 2olsA1 LEU 69 HB3 0.08 0.06 -0.13 -0.04 1.64 1.61 2olsA1 LEU 69 HG 0.11 -0.03 -0.01 -0.04 1.64 1.67 2olsA1 LEU 69 HD13 0.06 -0.01 -0.07 -0.04 0.93 0.88 2olsA1 LEU 69 HD23 0.19 0.05 -0.04 -0.04 0.89 1.04 2olsA1 ALA 70 H 0.05 0.31 -0.54 -0.55 8.40 7.68 2olsA1 ALA 70 HA 0.05 -0.01 0.47 -0.75 4.34 4.09 2olsA1 ALA 70 HB3 0.04 0.05 0.15 -0.04 1.41 1.61 2olsA1 LYS 71 H 0.04 0.36 -0.04 -0.55 8.42 8.22 2olsA1 LYS 71 HA 0.03 0.02 0.59 -0.75 4.32 4.20 2olsA1 LYS 71 HB2 0.03 -0.09 0.12 -0.04 1.87 1.89 2olsA1 LYS 71 HB3 0.03 -0.05 0.09 -0.04 1.79 1.81 2olsA1 LYS 71 HG2 0.03 0.05 0.14 -0.04 1.46 1.64 2olsA1 LYS 71 HG3 0.04 0.18 0.23 -0.04 1.46 1.86 2olsA1 LYS 71 HD2 0.03 -0.06 0.08 -0.04 1.69 1.70 2olsA1 LYS 71 HD3 0.03 -0.06 0.05 -0.04 1.68 1.66 2olsA1 LYS 71 HE2 0.04 0.00 -0.00 -0.04 2.99 2.99 2olsA1 LYS 71 HE3 0.05 0.04 0.03 -0.04 2.99 3.07 2olsA1 LEU 72 H 0.04 0.49 -0.02 -0.55 8.37 8.33 2olsA1 LEU 72 HA 0.03 -0.09 0.40 -0.75 4.35 3.93 2olsA1 LEU 72 HB2 0.03 0.26 -0.06 -0.04 1.64 1.83 2olsA1 LEU 72 HB3 0.04 0.15 -0.10 -0.04 1.64 1.69 2olsA1 LEU 72 HG 0.02 -0.02 -0.16 -0.04 1.64 1.44 2olsA1 LEU 72 HD13 0.03 -0.04 -0.31 -0.04 0.93 0.57 2olsA1 LEU 72 HD23 0.02 -0.04 -0.26 -0.04 0.89 0.57 2olsA1 ASP 73 H 0.03 0.11 0.08 -0.55 8.40 8.07 2olsA1 ASP 73 HA 0.04 0.16 0.71 -0.75 4.63 4.78 2olsA1 ASP 73 HB2 0.03 0.07 0.12 -0.04 2.71 2.89 2olsA1 ASP 73 HB3 0.03 -0.07 0.19 -0.04 2.70 2.81 2olsA1 VAL 74 H 0.03 0.32 0.16 -0.55 8.24 8.20 2olsA1 VAL 74 HA 0.01 0.10 0.30 -0.75 4.13 3.79 2olsA1 VAL 74 HB -0.01 0.15 0.08 -0.04 2.12 2.31 2olsA1 VAL 74 HG13 -0.02 -0.01 -0.14 -0.04 0.97 0.76 2olsA1 VAL 74 HG23 -0.06 0.01 -0.05 -0.04 0.95 0.81 2olsA1 GLU 75 H 0.05 0.05 -0.41 -0.55 8.60 7.73 2olsA1 GLU 75 HA 0.06 0.19 0.70 -0.75 4.29 4.48 2olsA1 GLU 75 HB2 0.08 -0.01 0.05 -0.04 2.09 2.17 2olsA1 GLU 75 HB3 0.04 -0.00 0.10 -0.04 1.99 2.08 2olsA1 GLU 75 HG2 0.01 -0.01 0.04 -0.04 2.34 2.33 2olsA1 GLU 75 HG3 0.05 0.01 0.06 -0.04 2.34 2.42 2olsA1 ASP 76 H 0.03 0.55 -0.44 -0.55 8.40 7.99 2olsA1 ASP 76 HA 0.02 0.15 0.70 -0.75 4.63 4.75 2olsA1 ASP 76 HB2 0.02 0.06 0.13 -0.04 2.71 2.87 2olsA1 ASP 76 HB3 0.02 0.21 0.24 -0.04 2.70 3.13 2olsA1 VAL 77 H 0.01 0.18 0.04 -0.55 8.24 7.92 2olsA1 VAL 77 HA 0.01 0.18 -0.18 -0.75 4.13 3.39 2olsA1 VAL 77 HB 0.01 0.08 -0.01 -0.04 2.12 2.16 2olsA1 VAL 77 HG13 0.00 0.01 0.02 -0.04 0.97 0.96 2olsA1 VAL 77 HG23 0.01 0.01 -0.05 -0.04 0.95 0.88 2olsA1 ALA 78 H 0.01 0.04 -0.05 -0.55 8.40 7.85 2olsA1 ALA 78 HA 0.00 0.14 0.72 -0.75 4.34 4.44 2olsA1 ALA 78 HB3 0.00 0.02 0.08 -0.04 1.41 1.46 2olsA1 GLU 79 H 0.01 0.14 -0.09 -0.55 8.60 8.12 2olsA1 GLU 79 HA 0.00 0.03 0.27 -0.75 4.29 3.83 2olsA1 GLU 79 HB2 0.01 -0.06 0.16 -0.04 2.09 2.16 2olsA1 GLU 79 HB3 0.01 0.15 -0.01 -0.04 1.99 2.10 2olsA1 GLU 79 HG2 0.02 -0.00 0.07 -0.04 2.34 2.38 2olsA1 GLU 79 HG3 0.01 0.10 0.06 -0.04 2.34 2.47 2olsA1 LEU 80 H 0.01 0.19 -0.69 -0.55 8.37 7.33 2olsA1 LEU 80 HA 0.00 0.08 0.22 -0.75 4.35 3.90 2olsA1 LEU 80 HB2 0.01 0.05 0.00 -0.04 1.64 1.66 2olsA1 LEU 80 HB3 0.01 0.00 -0.00 -0.04 1.64 1.61 2olsA1 LEU 80 HG 0.01 -0.03 -0.57 -0.04 1.64 1.00 2olsA1 LEU 80 HD13 0.01 0.02 0.02 -0.04 0.93 0.93 2olsA1 LEU 80 HD23 0.01 0.03 -0.05 -0.04 0.89 0.84 2olsA1 ALA 81 H -0.00 0.41 -0.03 -0.55 8.40 8.23 2olsA1 ALA 81 HA -0.01 -0.01 0.64 -0.75 4.34 4.21 2olsA1 ALA 81 HB3 -0.01 0.01 0.17 -0.04 1.41 1.54 2olsA1 ARG 82 H -0.02 0.56 -0.21 -0.55 8.46 8.24 2olsA1 ARG 82 HA -0.04 0.03 0.40 -0.75 4.34 3.98 2olsA1 ARG 82 HB2 -0.02 -0.03 0.02 -0.04 1.90 1.84 2olsA1 ARG 82 HB3 -0.02 0.06 0.10 -0.04 1.80 1.90 2olsA1 ARG 82 HG2 -0.04 0.01 -0.15 -0.04 1.67 1.45 2olsA1 ARG 82 HG3 -0.02 -0.03 -0.00 -0.04 1.67 1.58 2olsA1 ARG 82 HD2 -0.00 -0.01 -0.04 -0.04 3.22 3.13 2olsA1 ARG 82 HD3 -0.00 -0.04 -0.04 -0.04 3.22 3.10 2olsA1 VAL 83 H -0.03 0.77 0.08 -0.55 8.24 8.52 2olsA1 VAL 83 HA -0.12 0.01 0.47 -0.75 4.13 3.74 2olsA1 VAL 83 HB -0.02 0.09 0.13 -0.04 2.12 2.27 2olsA1 VAL 83 HG13 -0.03 0.01 -0.20 -0.04 0.97 0.71 2olsA1 VAL 83 HG23 -0.00 0.01 0.04 -0.04 0.95 0.96 2olsA1 GLY 84 H -0.04 0.56 -0.15 -0.55 8.43 8.26 2olsA1 GLY 84 HA2 -0.03 0.06 0.39 -0.51 4.01 3.92 2olsA1 GLY 84 HA3 -0.01 0.06 0.35 -0.51 4.01 3.89 2olsA1 LYS 85 H -0.08 0.49 -0.21 -0.55 8.42 8.07 2olsA1 LYS 85 HA -0.07 -0.01 0.38 -0.75 4.32 3.86 2olsA1 LYS 85 HB2 -0.05 0.05 0.16 -0.04 1.87 1.99 2olsA1 LYS 85 HB3 -0.09 0.13 0.11 -0.04 1.79 1.90 2olsA1 LYS 85 HG2 -0.08 -0.01 -0.14 -0.04 1.46 1.19 2olsA1 LYS 85 HG3 -0.05 -0.05 0.04 -0.04 1.46 1.37 2olsA1 LYS 85 HD2 -0.03 0.02 0.00 -0.04 1.69 1.64 2olsA1 LYS 85 HD3 -0.04 -0.01 -0.03 -0.04 1.68 1.56 2olsA1 LYS 85 HE2 -0.02 -0.02 -0.01 -0.04 2.99 2.90 2olsA1 LYS 85 HE3 -0.02 -0.01 -0.02 -0.04 2.99 2.91 2olsA1 GLU 86 H -0.25 0.39 -0.34 -0.55 8.60 7.85 2olsA1 GLU 86 HA -0.46 -0.01 0.43 -0.75 4.29 3.49 2olsA1 GLU 86 HB2 -0.28 0.19 0.19 -0.04 2.09 2.15 2olsA1 GLU 86 HB3 -0.57 0.17 0.23 -0.04 1.99 1.78 2olsA1 GLU 86 HG2 -0.99 -0.03 -0.06 -0.04 2.34 1.21 2olsA1 GLU 86 HG3 -0.19 -0.05 0.02 -0.04 2.34 2.08 2olsA1 ILE 87 H -0.53 0.65 0.01 -0.55 8.25 7.83 2olsA1 ILE 87 HA -0.74 -0.01 0.41 -0.75 4.18 3.09 2olsA1 ILE 87 HB -0.17 0.19 0.20 -0.04 1.89 2.07 2olsA1 ILE 87 HG12 -0.07 -0.08 0.05 -0.04 1.49 1.35 2olsA1 ILE 87 HG13 -0.32 0.12 0.07 -0.04 1.21 1.04 2olsA1 ILE 87 HG23 -0.23 -0.02 -0.14 -0.04 0.93 0.50 2olsA1 ILE 87 HD13 -0.08 -0.01 -0.05 -0.04 0.88 0.71 2olsA1 ARG 88 H -0.15 0.66 -0.09 -0.55 8.46 8.33 2olsA1 ARG 88 HA 0.06 0.01 0.43 -0.75 4.34 4.09 2olsA1 ARG 88 HB2 -0.04 0.10 0.12 -0.04 1.90 2.04 2olsA1 ARG 88 HB3 0.01 -0.08 -0.05 -0.04 1.80 1.64 2olsA1 ARG 88 HG2 0.12 0.01 -0.04 -0.04 1.67 1.72 2olsA1 ARG 88 HG3 0.09 0.11 -0.09 -0.04 1.67 1.75 2olsA1 ARG 88 HD2 0.05 -0.06 -0.09 -0.04 3.22 3.08 2olsA1 ARG 88 HD3 0.08 -0.05 -0.21 -0.04 3.22 3.00 2olsA1 GLN 89 H -0.23 0.44 -0.40 -0.55 8.47 7.74 2olsA1 GLN 89 HA -0.02 0.01 0.57 -0.75 4.36 4.17 2olsA1 GLN 89 HB2 -0.12 0.13 0.14 -0.04 2.15 2.27 2olsA1 GLN 89 HB3 -0.14 0.08 0.06 -0.04 2.02 1.98 2olsA1 GLN 89 HG2 -0.01 -0.03 0.00 -0.04 2.40 2.32 2olsA1 GLN 89 HG3 0.03 -0.03 0.01 -0.04 2.39 2.37 2olsA1 GLN 89 HE21 -0.01 -0.05 -0.03 -0.04 6.97 6.84 2olsA1 GLN 89 HE22 -0.04 0.08 -0.00 -0.04 7.69 7.69 2olsA1 TRP 90 H -0.12 0.44 -0.14 -0.55 7.97 7.60 2olsA1 TRP 90 HA -0.01 0.03 0.49 -0.75 4.62 4.38 2olsA1 TRP 90 HB2 -0.03 0.18 0.18 -0.04 3.23 3.52 2olsA1 TRP 90 HB3 -0.03 -0.05 -0.02 -0.04 3.23 3.09 2olsA1 TRP 90 HD1 -0.01 -0.04 -0.08 -0.04 7.22 7.04 2olsA1 TRP 90 HE1 -0.01 -0.06 -0.03 -0.04 10.20 10.05 2olsA1 TRP 90 HE3 -0.07 0.01 -0.01 -0.04 7.59 7.48 2olsA1 TRP 90 HZ2 -0.01 -0.04 -0.05 -0.04 7.44 7.29 2olsA1 TRP 90 HZ3 -0.05 0.01 -0.18 -0.04 7.13 6.86 2olsA1 TRP 90 HH2 -0.02 0.01 -0.06 -0.04 7.19 7.07 2olsA1 ILE 91 H 0.21 0.47 -0.06 -0.55 8.25 8.32 2olsA1 ILE 91 HA 0.24 0.04 0.45 -0.75 4.18 4.16 2olsA1 ILE 91 HB 0.22 0.07 0.11 -0.04 1.89 2.25 2olsA1 ILE 91 HG12 0.23 -0.04 -0.04 -0.04 1.49 1.59 2olsA1 ILE 91 HG13 0.18 0.13 0.02 -0.04 1.21 1.50 2olsA1 ILE 91 HG23 0.49 0.00 -0.22 -0.04 0.93 1.16 2olsA1 ILE 91 HD13 0.33 -0.00 -0.10 -0.04 0.88 1.07 2olsA1 LEU 92 H 0.11 0.38 -0.28 -0.55 8.37 8.03 2olsA1 LEU 92 HA 0.06 0.00 0.34 -0.75 4.35 4.00 2olsA1 LEU 92 HB2 -0.01 0.10 0.22 -0.04 1.64 1.90 2olsA1 LEU 92 HB3 -0.08 -0.05 -0.06 -0.04 1.64 1.41 2olsA1 LEU 92 HG -0.31 -0.09 -0.01 -0.04 1.64 1.19 2olsA1 LEU 92 HD13 -0.25 -0.01 -0.12 -0.04 0.93 0.50 2olsA1 LEU 92 HD23 -0.08 0.01 -0.05 -0.04 0.89 0.72 2olsA1 ASP 93 H 0.09 0.44 -0.32 -0.55 8.40 8.07 2olsA1 ASP 93 HA -0.04 0.03 0.57 -0.75 4.63 4.44 2olsA1 ASP 93 HB2 0.11 0.06 0.09 -0.04 2.71 2.93 2olsA1 ASP 93 HB3 0.03 -0.12 0.17 -0.04 2.70 2.75 2olsA1 THR 94 H 0.16 0.38 -0.62 -0.55 8.28 7.65 2olsA1 THR 94 HA -0.06 0.09 0.92 -0.75 4.39 4.58 2olsA1 THR 94 HB -0.14 0.02 0.14 -0.04 4.32 4.29 2olsA1 THR 94 HG23 -0.46 0.01 -0.00 -0.04 1.22 0.73 2olsA1 PRO 95 HA 0.08 0.08 0.62 -0.51 4.44 4.72 2olsA1 PRO 95 HB2 -0.02 0.05 -0.02 -0.04 2.28 2.25 2olsA1 PRO 95 HB3 -0.05 -0.00 0.06 -0.04 2.02 1.99 2olsA1 PRO 95 HG2 -0.36 -0.03 0.01 -0.04 2.03 1.61 2olsA1 PRO 95 HG3 -0.12 -0.01 0.06 -0.04 2.03 1.91 2olsA1 PRO 95 HD2 -0.61 0.06 0.23 -0.04 3.68 3.32 2olsA1 PRO 95 HD3 -0.13 0.24 0.19 -0.04 3.65 3.92 2olsA1 PHE 96 H 0.11 0.06 0.15 -0.55 8.34 8.10 2olsA1 PHE 96 HA 0.27 0.15 0.57 -0.75 4.62 4.86 2olsA1 PHE 96 HB2 0.04 -0.07 0.11 -0.04 3.15 3.19 2olsA1 PHE 96 HB3 0.03 -0.06 -0.02 -0.04 3.06 2.98 2olsA1 PHE 96 HD2 -0.07 0.01 -0.05 -0.04 7.28 7.13 2olsA1 PHE 96 HE2 -0.85 -0.00 -0.02 -0.04 7.38 6.46 2olsA1 PHE 96 HZ -0.96 -0.04 -0.14 -0.04 7.32 6.14 2olsA1 PRO 97 HA 0.12 0.16 0.55 -0.51 4.44 4.76 2olsA1 PRO 97 HB2 0.18 -0.25 0.00 -0.04 2.28 2.16 2olsA1 PRO 97 HB3 0.13 0.10 0.11 -0.04 2.02 2.32 2olsA1 PRO 97 HG2 0.08 -0.01 0.01 -0.04 2.03 2.07 2olsA1 PRO 97 HG3 0.12 0.24 -0.06 -0.04 2.03 2.28 2olsA1 PRO 97 HD2 0.16 0.01 0.24 -0.04 3.68 4.04 2olsA1 PRO 97 HD3 0.39 0.37 0.29 -0.04 3.65 4.66 2olsA1 GLU 98 H 0.10 0.20 0.19 -0.55 8.60 8.54 2olsA1 GLU 98 HA 0.08 0.13 0.21 -0.75 4.29 3.96 2olsA1 GLU 98 HB2 0.06 0.04 0.18 -0.04 2.09 2.33 2olsA1 GLU 98 HB3 0.05 0.02 0.04 -0.04 1.99 2.06 2olsA1 GLU 98 HG2 0.04 0.03 0.03 -0.04 2.34 2.39 2olsA1 GLU 98 HG3 0.04 -0.03 0.06 -0.04 2.34 2.38 2olsA1 GLN 99 H 0.11 0.07 -0.17 -0.55 8.47 7.93 2olsA1 GLN 99 HA 0.04 0.12 0.44 -0.75 4.36 4.21 2olsA1 GLN 99 HB2 0.04 0.01 0.08 -0.04 2.15 2.23 2olsA1 GLN 99 HB3 0.13 0.02 -0.00 -0.04 2.02 2.12 2olsA1 GLN 99 HG2 -0.09 -0.03 0.01 -0.04 2.40 2.25 2olsA1 GLN 99 HG3 -0.06 0.03 0.03 -0.04 2.39 2.35 2olsA1 GLN 99 HE21 -0.91 0.05 -0.05 -0.04 6.97 6.01 2olsA1 GLN 99 HE22 -0.88 -0.04 -0.10 -0.04 7.69 6.63 2olsA1 LEU 100 H 0.20 0.11 -0.27 -0.55 8.37 7.86 2olsA1 LEU 100 HA 0.21 0.05 0.54 -0.75 4.35 4.39 2olsA1 LEU 100 HB2 -0.02 -0.01 0.10 -0.04 1.64 1.67 2olsA1 LEU 100 HB3 -0.02 0.13 0.08 -0.04 1.64 1.80 2olsA1 LEU 100 HG -0.46 -0.00 -0.18 -0.04 1.64 0.96 2olsA1 LEU 100 HD13 -0.15 -0.02 0.04 -0.04 0.93 0.75 2olsA1 LEU 100 HD23 -0.55 0.03 0.01 -0.04 0.89 0.34 2olsA1 ASP 101 H 0.12 0.59 -0.15 -0.55 8.40 8.42 2olsA1 ASP 101 HA 0.13 0.03 0.46 -0.75 4.63 4.49 2olsA1 ASP 101 HB2 0.10 0.11 0.08 -0.04 2.71 2.95 2olsA1 ASP 101 HB3 0.08 -0.03 -0.11 -0.04 2.70 2.59 2olsA1 ALA 102 H 0.06 0.54 -0.11 -0.55 8.40 8.34 2olsA1 ALA 102 HA 0.04 0.02 0.43 -0.75 4.34 4.07 2olsA1 ALA 102 HB3 0.03 0.03 0.10 -0.04 1.41 1.52 2olsA1 GLU 103 H 0.03 0.37 -0.37 -0.55 8.60 8.09 2olsA1 GLU 103 HA -0.01 0.06 0.44 -0.75 4.29 4.02 2olsA1 GLU 103 HB2 0.05 0.07 0.18 -0.04 2.09 2.36 2olsA1 GLU 103 HB3 -0.00 -0.06 0.05 -0.04 1.99 1.94 2olsA1 GLU 103 HG2 -0.01 -0.02 0.03 -0.04 2.34 2.30 2olsA1 GLU 103 HG3 -0.00 0.18 0.10 -0.04 2.34 2.58 2olsA1 ILE 104 H -0.02 0.60 -0.03 -0.55 8.25 8.25 2olsA1 ILE 104 HA -0.27 0.03 0.51 -0.75 4.18 3.69 2olsA1 ILE 104 HB 0.02 0.11 0.17 -0.04 1.89 2.14 2olsA1 ILE 104 HG12 0.05 -0.04 -0.01 -0.04 1.49 1.45 2olsA1 ILE 104 HG13 -0.06 0.07 0.07 -0.04 1.21 1.24 2olsA1 ILE 104 HG23 0.11 -0.02 -0.19 -0.04 0.93 0.79 2olsA1 ILE 104 HD13 -0.13 -0.02 -0.08 -0.04 0.88 0.62 2olsA1 GLU 105 H 0.02 0.68 -0.10 -0.55 8.60 8.65 2olsA1 GLU 105 HA 0.12 -0.04 0.44 -0.75 4.29 4.07 2olsA1 GLU 105 HB2 0.04 0.01 0.10 -0.04 2.09 2.20 2olsA1 GLU 105 HB3 0.05 0.16 0.13 -0.04 1.99 2.29 2olsA1 GLU 105 HG2 0.10 0.02 -0.26 -0.04 2.34 2.16 2olsA1 GLU 105 HG3 0.13 -0.09 0.05 -0.04 2.34 2.39 2olsA1 ALA 106 H 0.01 0.42 -0.35 -0.55 8.40 7.94 2olsA1 ALA 106 HA 0.07 0.03 0.39 -0.75 4.34 4.07 2olsA1 ALA 106 HB3 0.03 0.03 0.10 -0.04 1.41 1.53 2olsA1 ALA 107 H -0.12 0.37 -0.28 -0.55 8.40 7.83 2olsA1 ALA 107 HA 0.25 0.05 0.46 -0.75 4.34 4.35 2olsA1 ALA 107 HB3 -1.07 0.02 0.05 -0.04 1.41 0.37 2olsA1 TRP 108 H 0.07 0.75 0.02 -0.55 7.97 8.26 2olsA1 TRP 108 HA 0.14 0.01 0.52 -0.75 4.62 4.53 2olsA1 TRP 108 HB2 0.08 -0.01 0.05 -0.04 3.23 3.31 2olsA1 TRP 108 HB3 0.01 0.12 0.16 -0.04 3.23 3.48 2olsA1 TRP 108 HD1 0.03 0.07 -0.10 -0.04 7.22 7.18 2olsA1 TRP 108 HE1 0.02 0.01 0.00 -0.04 10.20 10.20 2olsA1 TRP 108 HE3 0.11 0.02 -0.09 -0.04 7.59 7.59 2olsA1 TRP 108 HZ2 0.02 0.10 0.08 -0.04 7.44 7.60 2olsA1 TRP 108 HZ3 0.01 0.02 -0.22 -0.04 7.13 6.89 2olsA1 TRP 108 HH2 0.00 0.29 -0.21 -0.04 7.19 7.23 2olsA1 ASN 109 H 0.19 0.62 -0.21 -0.55 8.53 8.58 2olsA1 ASN 109 HA -0.11 -0.00 0.39 -0.75 4.76 4.28 2olsA1 ASN 109 HB2 0.08 0.12 0.12 -0.04 2.88 3.16 2olsA1 ASN 109 HB3 0.04 -0.02 0.02 -0.04 2.79 2.79 2olsA1 ASN 109 HD21 0.12 -0.09 -0.03 -0.04 7.03 7.00 2olsA1 ASN 109 HD22 0.09 -0.01 -0.04 -0.04 7.74 7.73 2olsA1 LYS 110 H 0.13 0.28 -0.48 -0.55 8.42 7.80 2olsA1 LYS 110 HA 0.01 0.10 0.65 -0.75 4.32 4.32 2olsA1 LYS 110 HB2 0.17 0.13 0.14 -0.04 1.87 2.27 2olsA1 LYS 110 HB3 0.47 0.03 0.04 -0.04 1.79 2.30 2olsA1 LYS 110 HG2 -0.12 -0.05 0.07 -0.04 1.46 1.32 2olsA1 LYS 110 HG3 -0.12 0.01 0.03 -0.04 1.46 1.34 2olsA1 LYS 110 HD2 -0.53 -0.00 -0.01 -0.04 1.69 1.11 2olsA1 LYS 110 HD3 -0.96 -0.00 -0.01 -0.04 1.68 0.67 2olsA1 LYS 110 HE2 -0.58 -0.00 -0.17 -0.04 2.99 2.20 2olsA1 LYS 110 HE3 -0.35 -0.00 -0.04 -0.04 2.99 2.56 2olsA1 MET 111 H 0.22 0.49 -0.02 -0.55 8.47 8.61 2olsA1 MET 111 HA 0.17 0.01 0.53 -0.75 4.52 4.48 2olsA1 MET 111 HB2 -0.26 0.14 0.16 -0.04 2.15 2.15 2olsA1 MET 111 HB3 -0.13 -0.05 -0.08 -0.04 2.03 1.74 2olsA1 MET 111 HG2 0.22 -0.06 -0.00 -0.04 2.63 2.75 2olsA1 MET 111 HG3 0.16 0.18 0.04 -0.04 2.56 2.90 2olsA1 MET 111 HE3 0.01 -0.02 -0.14 -0.04 2.10 1.91 2olsA1 VAL 112 H -0.42 0.49 -0.15 -0.55 8.24 7.61 2olsA1 VAL 112 HA -0.23 -0.01 0.33 -0.75 4.13 3.46 2olsA1 VAL 112 HB -0.24 0.06 0.18 -0.04 2.12 2.07 2olsA1 VAL 112 HG13 -0.94 0.03 0.04 -0.04 0.97 0.06 2olsA1 VAL 112 HG23 -0.11 0.05 -0.06 -0.04 0.95 0.80 2olsA1 ALA 113 H -0.10 0.22 -0.47 -0.55 8.40 7.51 2olsA1 ALA 113 HA -0.05 0.19 0.49 -0.75 4.34 4.22 2olsA1 ALA 113 HB3 -0.04 0.01 0.13 -0.04 1.41 1.47 2olsA1 ASP 114 H -0.03 0.55 -0.10 -0.55 8.40 8.28 2olsA1 ASP 114 HA -0.03 0.01 0.44 -0.75 4.63 4.30 2olsA1 ASP 114 HB2 0.03 0.09 0.15 -0.04 2.71 2.93 2olsA1 ASP 114 HB3 0.01 -0.08 0.04 -0.04 2.70 2.63 2olsA1 ALA 115 H -0.05 0.43 -0.46 -0.55 8.40 7.78 2olsA1 ALA 115 HA -0.01 0.08 0.64 -0.75 4.34 4.30 2olsA1 ALA 115 HB3 -0.04 -0.03 0.07 -0.04 1.41 1.37 2olsA1 GLY 116 H -0.02 0.32 -0.85 -0.55 8.43 7.33 2olsA1 GLY 116 HA2 -0.02 0.03 0.35 -0.51 4.01 3.87 2olsA1 GLY 116 HA3 -0.01 -0.10 0.26 -0.51 4.01 3.65 2olsA1 GLY 117 H -0.01 0.45 0.56 -0.55 8.43 8.89 2olsA1 GLY 117 HA2 -0.01 0.00 0.50 -0.51 4.01 3.99 2olsA1 GLY 117 HA3 -0.00 -0.18 0.48 -0.51 4.01 3.79 2olsA1 ALA 118 H -0.03 0.23 0.17 -0.55 8.40 8.22 2olsA1 ALA 118 HA 0.00 -0.01 0.35 -0.75 4.34 3.94 2olsA1 ALA 118 HB3 -0.02 0.00 0.15 -0.04 1.41 1.50 2olsA1 ASP 119 H 0.03 0.15 0.07 -0.55 8.40 8.09 2olsA1 ASP 119 HA 0.08 0.19 0.84 -0.75 4.63 4.99 2olsA1 ASP 119 HB2 0.05 -0.05 0.13 -0.04 2.71 2.80 2olsA1 ASP 119 HB3 0.05 -0.01 0.24 -0.04 2.70 2.94 2olsA1 ILE 120 H -0.01 0.29 -0.26 -0.55 8.25 7.72 2olsA1 ILE 120 HA 0.03 0.01 0.45 -0.75 4.18 3.92 2olsA1 ILE 120 HB -0.02 0.02 0.04 -0.04 1.89 1.89 2olsA1 ILE 120 HG12 -0.28 0.04 0.00 -0.04 1.49 1.21 2olsA1 ILE 120 HG13 -0.08 0.01 -0.32 -0.04 1.21 0.78 2olsA1 ILE 120 HG23 -0.07 0.02 -0.07 -0.04 0.93 0.77 2olsA1 ILE 120 HD13 -0.41 0.01 -0.25 -0.04 0.88 0.19 2olsA1 SER 121 H 0.07 0.10 0.19 -0.55 8.46 8.27 2olsA1 SER 121 HA 0.14 0.40 0.65 -0.75 4.49 4.93 2olsA1 SER 121 HB2 -0.07 -0.15 -0.16 -0.04 3.95 3.53 2olsA1 SER 121 HB3 -0.01 0.10 -0.15 -0.04 3.93 3.83 2olsA1 VAL 122 H 0.05 0.23 0.22 -0.55 8.24 8.19 2olsA1 VAL 122 HA 0.05 0.17 1.01 -0.75 4.13 4.61 2olsA1 VAL 122 HB 0.05 0.10 -0.16 -0.04 2.12 2.06 2olsA1 VAL 122 HG13 0.23 -0.01 -0.42 -0.04 0.97 0.73 2olsA1 VAL 122 HG23 0.13 0.06 -0.20 -0.04 0.95 0.90 2olsA1 ALA 123 H 0.02 0.92 0.34 -0.55 8.40 9.14 2olsA1 ALA 123 HA 0.02 0.26 1.07 -0.75 4.34 4.94 2olsA1 ALA 123 HB3 0.01 -0.02 0.07 -0.04 1.41 1.42 2olsA1 VAL 124 H 0.08 0.48 0.24 -0.55 8.24 8.49 2olsA1 VAL 124 HA -0.01 0.33 1.06 -0.75 4.13 4.75 2olsA1 VAL 124 HB 0.10 -0.06 0.10 -0.04 2.12 2.21 2olsA1 VAL 124 HG13 -0.01 0.01 -0.25 -0.04 0.97 0.67 2olsA1 VAL 124 HG23 -0.05 -0.00 -0.20 -0.04 0.95 0.66 2olsA1 ARG 125 H 0.02 0.71 0.33 -0.55 8.46 8.96 2olsA1 ARG 125 HA 0.03 0.17 1.00 -0.75 4.34 4.78 2olsA1 ARG 125 HB2 0.00 -0.01 -0.01 -0.04 1.90 1.84 2olsA1 ARG 125 HB3 -0.02 0.04 -0.01 -0.04 1.80 1.77 2olsA1 ARG 125 HG2 -0.01 -0.06 -0.21 -0.04 1.67 1.34 2olsA1 ARG 125 HG3 -0.00 0.03 -0.19 -0.04 1.67 1.46 2olsA1 ARG 125 HD2 -0.04 0.06 -0.11 -0.04 3.22 3.09 2olsA1 ARG 125 HD3 -0.04 0.03 -0.09 -0.04 3.22 3.08 2olsA1 SER 126 H -0.01 0.18 0.24 -0.55 8.46 8.32 2olsA1 SER 126 HA 0.04 0.19 0.81 -0.75 4.49 4.77 2olsA1 SER 126 HB2 0.02 0.10 0.00 -0.04 3.95 4.03 2olsA1 SER 126 HB3 -0.03 -0.01 0.21 -0.04 3.93 4.06 2olsA1 SER 127 H -0.00 0.75 0.27 -0.55 8.46 8.92 2olsA1 SER 127 HA -0.03 0.11 0.98 -0.75 4.49 4.79 2olsA1 SER 127 HB2 0.00 -0.03 -0.13 -0.04 3.95 3.76 2olsA1 SER 127 HB3 0.02 0.14 0.17 -0.04 3.93 4.21 2olsA1 ALA 128 H -0.05 0.19 0.11 -0.55 8.40 8.10 2olsA1 ALA 128 HA -0.09 0.07 0.41 -0.75 4.34 3.97 2olsA1 ALA 128 HB3 -0.07 0.05 0.07 -0.04 1.41 1.41 2olsA1 THR 129 H -0.07 0.29 0.17 -0.55 8.28 8.12 2olsA1 THR 129 HA -0.01 0.06 0.39 -0.75 4.39 4.07 2olsA1 THR 129 HB -0.06 0.04 0.20 -0.04 4.32 4.46 2olsA1 THR 129 HG23 -0.02 0.04 0.16 -0.04 1.22 1.35 2olsA1 ALA 130 H 0.05 0.42 -0.33 -0.55 8.40 7.99 2olsA1 ALA 130 HA 0.06 0.22 0.04 -0.75 4.34 3.91 2olsA1 ALA 130 HB3 0.22 0.02 -0.06 -0.04 1.41 1.55 2olsA1 PHE 138 HA -0.07 0.08 0.27 -0.75 4.62 4.15 2olsA1 PHE 138 HB2 -0.12 -0.34 0.17 -0.04 3.15 2.82 2olsA1 PHE 138 HB3 -0.15 0.05 0.00 -0.04 3.06 2.93 2olsA1 PHE 138 HD2 -0.27 -0.02 -0.04 -0.04 7.28 6.91 2olsA1 PHE 138 HE2 -0.55 -0.01 -0.17 -0.04 7.38 6.62 2olsA1 PHE 138 HZ -0.20 0.05 -0.10 -0.04 7.32 7.03 2olsA1 ALA 139 H 0.07 -0.13 0.09 -0.55 8.40 7.88 2olsA1 ALA 139 HA 0.06 0.29 0.71 -0.75 4.34 4.65 2olsA1 ALA 139 HB3 0.04 -0.07 -0.14 -0.04 1.41 1.20 2olsA1 GLY 140 H -0.03 0.13 0.06 -0.55 8.43 8.04 2olsA1 GLY 140 HA2 -0.03 -0.14 0.43 -0.51 4.01 3.76 2olsA1 GLY 140 HA3 -0.09 0.07 0.20 -0.51 4.01 3.68 2olsA1 GLN 141 H -0.12 0.11 0.13 -0.55 8.47 8.05 2olsA1 GLN 141 HA -0.07 0.19 0.66 -0.75 4.36 4.37 2olsA1 GLN 141 HB2 -0.06 0.00 0.11 -0.04 2.15 2.16 2olsA1 GLN 141 HB3 -0.14 -0.02 0.06 -0.04 2.02 1.88 2olsA1 GLN 141 HG2 -0.08 0.11 -0.09 -0.04 2.40 2.30 2olsA1 GLN 141 HG3 -0.05 0.01 0.06 -0.04 2.39 2.36 2olsA1 GLN 141 HE21 -0.01 -0.13 0.01 -0.04 6.97 6.80 2olsA1 GLN 141 HE22 -0.03 0.05 0.01 -0.04 7.69 7.68 2olsA1 GLN 142 H -0.29 0.01 0.10 -0.55 8.47 7.73 2olsA1 GLN 142 HA -0.24 0.06 0.27 -0.75 4.36 3.69 2olsA1 GLN 142 HB2 -0.13 -0.18 -0.23 -0.04 2.15 1.57 2olsA1 GLN 142 HB3 -0.11 0.06 -0.15 -0.04 2.02 1.78 2olsA1 GLN 142 HG2 -0.13 0.05 0.09 -0.04 2.40 2.37 2olsA1 GLN 142 HG3 -0.12 0.04 0.03 -0.04 2.39 2.30 2olsA1 GLN 142 HE21 -0.06 -0.02 -0.06 -0.04 6.97 6.78 2olsA1 GLN 142 HE22 -0.08 -0.18 -0.12 -0.04 7.69 7.26 2olsA1 GLU 143 H -0.09 0.08 0.11 -0.55 8.60 8.16 2olsA1 GLU 143 HA -0.14 0.12 0.10 -0.75 4.29 3.61 2olsA1 GLU 143 HB2 -0.02 0.22 0.59 -0.04 2.09 2.84 2olsA1 GLU 143 HB3 0.04 -0.07 0.03 -0.04 1.99 1.94 2olsA1 GLU 143 HG2 -0.19 -0.06 0.05 -0.04 2.34 2.10 2olsA1 GLU 143 HG3 -0.06 0.09 0.05 -0.04 2.34 2.38 2olsA1 THR 144 H -0.32 0.28 0.17 -0.55 8.28 7.86 2olsA1 THR 144 HA -0.04 0.35 1.06 -0.75 4.39 5.00 2olsA1 THR 144 HB -0.06 -0.01 0.00 -0.04 4.32 4.21 2olsA1 THR 144 HG23 -0.12 -0.01 -0.14 -0.04 1.22 0.91 2olsA1 PHE 145 H 0.07 0.42 0.27 -0.55 8.34 8.55 2olsA1 PHE 145 HA -0.06 0.14 0.88 -0.75 4.62 4.83 2olsA1 PHE 145 HB2 -0.05 -0.01 0.13 -0.04 3.15 3.17 2olsA1 PHE 145 HB3 -0.07 0.04 0.01 -0.04 3.06 2.99 2olsA1 PHE 145 HD2 -0.07 0.06 -0.05 -0.04 7.28 7.18 2olsA1 PHE 145 HE2 -0.09 -0.04 -0.12 -0.04 7.38 7.08 2olsA1 PHE 145 HZ -0.16 0.00 -0.08 -0.04 7.32 7.05 2olsA1 LEU 146 H 0.05 0.26 0.15 -0.55 8.37 8.28 2olsA1 LEU 146 HA 0.00 0.15 0.95 -0.75 4.35 4.70 2olsA1 LEU 146 HB2 -0.01 0.03 -0.05 -0.04 1.64 1.56 2olsA1 LEU 146 HB3 0.01 -0.02 -0.07 -0.04 1.64 1.52 2olsA1 LEU 146 HG -0.04 -0.04 -0.42 -0.04 1.64 1.11 2olsA1 LEU 146 HD13 -0.02 -0.00 -0.12 -0.04 0.93 0.75 2olsA1 LEU 146 HD23 -0.01 0.03 -0.10 -0.04 0.89 0.77 2olsA1 ASN 147 H -0.08 0.12 0.02 -0.55 8.53 8.04 2olsA1 ASN 147 HA -0.29 -0.05 0.28 -0.75 4.76 3.95 2olsA1 ASN 147 HB2 -1.11 -0.08 -0.10 -0.04 2.88 1.55 2olsA1 ASN 147 HB3 -0.43 0.17 -0.12 -0.04 2.79 2.37 2olsA1 ASN 147 HD21 -0.35 0.07 0.14 -0.04 7.03 6.86 2olsA1 ASN 147 HD22 -0.42 0.44 0.26 -0.04 7.74 7.98 2olsA1 ILE 148 H -0.05 0.41 0.08 -0.55 8.25 8.14 2olsA1 ILE 148 HA -0.08 0.16 0.77 -0.75 4.18 4.27 2olsA1 ILE 148 HB -0.03 -0.01 -0.02 -0.04 1.89 1.79 2olsA1 ILE 148 HG12 -0.00 -0.02 -0.48 -0.04 1.49 0.95 2olsA1 ILE 148 HG13 -0.01 -0.02 -0.22 -0.04 1.21 0.92 2olsA1 ILE 148 HG23 -0.13 0.01 -0.29 -0.04 0.93 0.48 2olsA1 ILE 148 HD13 -0.01 0.01 -0.16 -0.04 0.88 0.67 2olsA1 ASN 149 H -0.06 0.11 0.14 -0.55 8.53 8.17 2olsA1 ASN 149 HA 0.11 0.23 0.21 -0.75 4.76 4.56 2olsA1 ASN 149 HB2 -0.02 0.00 0.07 -0.04 2.88 2.89 2olsA1 ASN 149 HB3 0.04 -0.01 -0.09 -0.04 2.79 2.69 2olsA1 ASN 149 HD21 -0.04 -0.01 -0.10 -0.04 7.03 6.84 2olsA1 ASN 149 HD22 -0.09 0.06 -0.10 -0.04 7.74 7.57 2olsA1 GLY 150 H -0.11 -0.00 0.11 -0.55 8.43 7.88 2olsA1 GLY 150 HA2 -0.07 0.33 0.73 -0.51 4.01 4.49 2olsA1 GLY 150 HA3 -0.10 0.02 0.37 -0.51 4.01 3.79 2olsA1 LEU 151 H -0.54 0.25 0.13 -0.55 8.37 7.67 2olsA1 LEU 151 HA -1.21 0.09 0.18 -0.75 4.35 2.66 2olsA1 LEU 151 HB2 -0.46 0.05 0.16 -0.04 1.64 1.35 2olsA1 LEU 151 HB3 -0.27 0.00 0.03 -0.04 1.64 1.36 2olsA1 LEU 151 HG -0.53 0.03 0.02 -0.04 1.64 1.13 2olsA1 LEU 151 HD13 -0.02 0.02 0.00 -0.04 0.93 0.89 2olsA1 LEU 151 HD23 -0.18 -0.01 -0.08 -0.04 0.89 0.58 2olsA1 ASP 152 H -0.24 0.11 -0.09 -0.55 8.40 7.63 2olsA1 ASP 152 HA -0.16 0.12 0.55 -0.75 4.63 4.38 2olsA1 ASP 152 HB2 -0.13 -0.03 0.07 -0.04 2.71 2.59 2olsA1 ASP 152 HB3 -0.12 0.08 0.00 -0.04 2.70 2.62 2olsA1 ASN 153 H -0.20 0.07 -0.15 -0.55 8.53 7.70 2olsA1 ASN 153 HA -0.16 0.12 0.60 -0.75 4.76 4.57 2olsA1 ASN 153 HB2 -0.18 0.02 0.15 -0.04 2.88 2.83 2olsA1 ASN 153 HB3 -0.15 0.04 0.04 -0.04 2.79 2.69 2olsA1 ASN 153 HD21 -0.07 0.12 0.06 -0.04 7.03 7.10 2olsA1 ASN 153 HD22 -0.09 -0.30 0.12 -0.04 7.74 7.42 2olsA1 VAL 154 H -0.33 0.55 -0.19 -0.55 8.24 7.72 2olsA1 VAL 154 HA -0.17 0.03 0.21 -0.75 4.13 3.43 2olsA1 VAL 154 HB -0.40 0.10 -0.01 -0.04 2.12 1.77 2olsA1 VAL 154 HG13 -0.04 -0.00 -0.23 -0.04 0.97 0.66 2olsA1 VAL 154 HG23 -0.36 0.03 -0.24 -0.04 0.95 0.34 2olsA1 LYS 155 H -0.18 0.48 -0.16 -0.55 8.42 8.01 2olsA1 LYS 155 HA 0.03 0.01 0.39 -0.75 4.32 4.00 2olsA1 LYS 155 HB2 -0.12 0.06 0.15 -0.04 1.87 1.92 2olsA1 LYS 155 HB3 -0.10 -0.01 0.04 -0.04 1.79 1.68 2olsA1 LYS 155 HG2 0.04 -0.06 0.01 -0.04 1.46 1.41 2olsA1 LYS 155 HG3 -0.10 0.26 0.08 -0.04 1.46 1.66 2olsA1 LYS 155 HD2 0.14 -0.00 0.02 -0.04 1.69 1.80 2olsA1 LYS 155 HD3 0.10 -0.03 0.01 -0.04 1.68 1.73 2olsA1 LYS 155 HE2 -0.06 -0.03 -0.10 -0.04 2.99 2.75 2olsA1 LYS 155 HE3 -0.05 0.02 -0.02 -0.04 2.99 2.89 2olsA1 GLU 156 H -0.15 0.42 -0.29 -0.55 8.60 8.02 2olsA1 GLU 156 HA -0.12 0.11 0.59 -0.75 4.29 4.11 2olsA1 GLU 156 HB2 -0.16 0.00 0.10 -0.04 2.09 2.00 2olsA1 GLU 156 HB3 -0.15 0.19 0.19 -0.04 1.99 2.17 2olsA1 GLU 156 HG2 -0.16 0.04 0.11 -0.04 2.34 2.29 2olsA1 GLU 156 HG3 -0.12 -0.02 -0.40 -0.04 2.34 1.76 2olsA1 ALA 157 H -0.22 0.72 0.02 -0.55 8.40 8.37 2olsA1 ALA 157 HA -0.69 0.00 0.53 -0.75 4.34 3.43 2olsA1 ALA 157 HB3 -0.41 0.02 0.05 -0.04 1.41 1.02 2olsA1 MET 158 H -0.15 0.51 -0.29 -0.55 8.47 7.99 2olsA1 MET 158 HA -0.15 0.01 0.49 -0.75 4.52 4.12 2olsA1 MET 158 HB2 -0.09 0.17 0.10 -0.04 2.15 2.28 2olsA1 MET 158 HB3 -0.54 -0.06 -0.03 -0.04 2.03 1.36 2olsA1 MET 158 HG2 -0.11 -0.06 -0.06 -0.04 2.63 2.35 2olsA1 MET 158 HG3 -0.09 0.32 -0.03 -0.04 2.56 2.72 2olsA1 MET 158 HE3 -0.27 -0.01 -0.03 -0.04 2.10 1.74 2olsA1 HIS 159 H -0.10 0.39 -0.25 -0.55 8.41 7.90 2olsA1 HIS 159 HA -0.29 0.04 0.38 -0.75 4.63 4.00 2olsA1 HIS 159 HB2 -0.26 0.11 0.24 -0.04 3.26 3.31 2olsA1 HIS 159 HB3 -0.25 -0.02 -0.08 -0.04 3.20 2.80 2olsA1 HIS 159 HD2 0.03 0.20 0.10 -0.04 6.97 7.26 2olsA1 HIS 159 HE1 -1.06 -0.22 0.04 -0.04 7.75 6.47 2olsA1 HIS 160 H 0.04 0.32 -0.38 -0.55 8.41 7.84 2olsA1 HIS 160 HA 0.10 0.06 0.41 -0.75 4.63 4.44 2olsA1 HIS 160 HB2 -0.25 0.10 0.12 -0.04 3.26 3.19 2olsA1 HIS 160 HB3 0.26 -0.03 -0.08 -0.04 3.20 3.31 2olsA1 HIS 160 HD2 0.11 -0.01 -0.02 -0.04 6.97 7.00 2olsA1 HIS 160 HE1 -0.08 -0.03 -0.04 -0.04 7.75 7.55 2olsA1 VAL 161 H 0.15 0.47 -0.16 -0.55 8.24 8.16 2olsA1 VAL 161 HA 0.23 0.02 0.36 -0.75 4.13 3.99 2olsA1 VAL 161 HB 0.11 0.08 0.07 -0.04 2.12 2.35 2olsA1 VAL 161 HG13 0.18 -0.01 -0.29 -0.04 0.97 0.82 2olsA1 VAL 161 HG23 0.24 0.05 -0.16 -0.04 0.95 1.04 2olsA1 PHE 162 H 0.24 0.64 -0.25 -0.55 8.34 8.42 2olsA1 PHE 162 HA 0.26 -0.04 0.31 -0.75 4.62 4.40 2olsA1 PHE 162 HB2 -0.04 0.19 0.07 -0.04 3.15 3.34 2olsA1 PHE 162 HB3 0.09 -0.02 -0.09 -0.04 3.06 2.99 2olsA1 PHE 162 HD2 -0.69 -0.02 -0.12 -0.04 7.28 6.42 2olsA1 PHE 162 HE2 -0.49 -0.09 -0.07 -0.04 7.38 6.69 2olsA1 PHE 162 HZ -0.32 -0.09 -0.03 -0.04 7.32 6.84 2olsA1 ALA 163 H 0.26 0.45 -0.31 -0.55 8.40 8.26 2olsA1 ALA 163 HA 0.32 0.02 0.42 -0.75 4.34 4.34 2olsA1 ALA 163 HB3 0.14 0.02 0.11 -0.04 1.41 1.63 2olsA1 SER 164 H 0.19 0.44 -0.41 -0.55 8.46 8.13 2olsA1 SER 164 HA 0.08 -0.05 0.31 -0.75 4.49 4.07 2olsA1 SER 164 HB2 0.03 0.00 0.13 -0.04 3.95 4.07 2olsA1 SER 164 HB3 0.13 0.08 0.13 -0.04 3.93 4.22 2olsA1 LEU 165 H 0.09 0.39 -0.48 -0.55 8.37 7.82 2olsA1 LEU 165 HA -0.18 -0.01 0.36 -0.75 4.35 3.76 2olsA1 LEU 165 HB2 -0.08 0.15 -0.00 -0.04 1.64 1.68 2olsA1 LEU 165 HB3 -0.53 0.03 -0.19 -0.04 1.64 0.91 2olsA1 LEU 165 HG -0.33 -0.06 -0.23 -0.04 1.64 0.98 2olsA1 LEU 165 HD13 -0.48 -0.02 -0.35 -0.04 0.93 0.04 2olsA1 LEU 165 HD23 -0.28 -0.00 -0.05 -0.04 0.89 0.52 2olsA1 TYR 166 H 0.15 0.50 -0.47 -0.55 8.29 7.93 2olsA1 TYR 166 HA 0.04 0.16 0.70 -0.75 4.56 4.71 2olsA1 TYR 166 HB2 0.07 0.08 0.02 -0.04 3.06 3.19 2olsA1 TYR 166 HB3 0.04 -0.06 0.11 -0.04 2.98 3.03 2olsA1 TYR 166 HD2 0.12 0.04 -0.08 -0.04 7.15 7.19 2olsA1 TYR 166 HE2 0.20 0.02 -0.05 -0.04 6.85 6.98 2olsA1 ASN 167 H 0.03 0.43 -0.29 -0.55 8.53 8.16 2olsA1 ASN 167 HA 0.04 0.04 0.55 -0.75 4.76 4.64 2olsA1 ASN 167 HB2 -0.03 0.20 0.09 -0.04 2.88 3.10 2olsA1 ASN 167 HB3 -0.01 -0.22 -0.01 -0.04 2.79 2.51 2olsA1 ASN 167 HD21 -0.01 0.01 0.04 -0.04 7.03 7.03 2olsA1 ASN 167 HD22 -0.05 -0.01 0.01 -0.04 7.74 7.64 2olsA1 ASP 168 H 0.02 0.14 0.14 -0.55 8.40 8.15 2olsA1 ASP 168 HA 0.03 0.18 0.17 -0.75 4.63 4.26 2olsA1 ASP 168 HB2 0.01 -0.06 0.12 -0.04 2.71 2.75 2olsA1 ASP 168 HB3 0.01 0.01 -0.06 -0.04 2.70 2.62 2olsA1 ARG 169 H 0.02 0.09 -0.11 -0.55 8.46 7.90 2olsA1 ARG 169 HA 0.04 0.08 0.41 -0.75 4.34 4.11 2olsA1 ARG 169 HB2 0.05 0.03 0.04 -0.04 1.90 1.98 2olsA1 ARG 169 HB3 0.02 -0.02 0.07 -0.04 1.80 1.82 2olsA1 ARG 169 HG2 -0.01 -0.02 -0.16 -0.04 1.67 1.44 2olsA1 ARG 169 HG3 0.07 0.05 -0.51 -0.04 1.67 1.24 2olsA1 ARG 169 HD2 0.01 0.01 -0.04 -0.04 3.22 3.16 2olsA1 ARG 169 HD3 0.00 -0.02 -0.06 -0.04 3.22 3.10 2olsA1 ALA 170 H 0.01 0.11 -0.44 -0.55 8.40 7.53 2olsA1 ALA 170 HA 0.14 0.03 0.48 -0.75 4.34 4.23 2olsA1 ALA 170 HB3 -0.05 0.06 -0.01 -0.04 1.41 1.37 2olsA1 ILE 171 H 0.04 0.41 -0.23 -0.55 8.25 7.92 2olsA1 ILE 171 HA 0.07 0.09 0.41 -0.75 4.18 4.00 2olsA1 ILE 171 HB 0.05 0.08 0.11 -0.04 1.89 2.09 2olsA1 ILE 171 HG12 0.23 -0.00 -0.01 -0.04 1.49 1.67 2olsA1 ILE 171 HG13 0.12 0.07 -0.06 -0.04 1.21 1.30 2olsA1 ILE 171 HG23 0.06 -0.01 -0.13 -0.04 0.93 0.80 2olsA1 ILE 171 HD13 0.12 -0.02 -0.05 -0.04 0.88 0.89 2olsA1 SER 172 H -0.01 0.48 -0.08 -0.55 8.46 8.30 2olsA1 SER 172 HA -0.28 0.00 0.54 -0.75 4.49 4.00 2olsA1 SER 172 HB2 -0.04 0.02 0.20 -0.04 3.95 4.09 2olsA1 SER 172 HB3 -0.26 0.01 -0.02 -0.04 3.93 3.62 2olsA1 TYR 173 H 0.11 0.88 0.03 -0.55 8.29 8.77 2olsA1 TYR 173 HA -0.00 -0.00 0.25 -0.75 4.56 4.05 2olsA1 TYR 173 HB2 0.13 -0.03 0.11 -0.04 3.06 3.22 2olsA1 TYR 173 HB3 0.15 0.05 0.12 -0.04 2.98 3.26 2olsA1 TYR 173 HD2 0.11 0.03 -0.12 -0.04 7.15 7.13 2olsA1 TYR 173 HE2 -0.16 0.03 -0.06 -0.04 6.85 6.62 2olsA1 ARG 174 H 0.10 0.40 -0.58 -0.55 8.46 7.83 2olsA1 ARG 174 HA -0.07 0.08 0.56 -0.75 4.34 4.16 2olsA1 ARG 174 HB2 0.14 0.13 0.08 -0.04 1.90 2.21 2olsA1 ARG 174 HB3 0.30 -0.02 -0.09 -0.04 1.80 1.95 2olsA1 ARG 174 HG2 0.46 -0.02 -0.07 -0.04 1.67 2.00 2olsA1 ARG 174 HG3 0.33 0.05 -0.04 -0.04 1.67 1.97 2olsA1 ARG 174 HD2 0.17 0.04 -0.13 -0.04 3.22 3.25 2olsA1 ARG 174 HD3 0.14 -0.07 -0.10 -0.04 3.22 3.15 2olsA1 VAL 175 H -0.08 0.54 0.07 -0.55 8.24 8.22 2olsA1 VAL 175 HA -0.05 -0.08 0.53 -0.75 4.13 3.78 2olsA1 VAL 175 HB -0.16 0.07 0.27 -0.04 2.12 2.26 2olsA1 VAL 175 HG13 0.00 -0.05 -0.09 -0.04 0.97 0.79 2olsA1 VAL 175 HG23 0.01 0.01 0.10 -0.04 0.95 1.02 2olsA1 HIS 176 H -0.28 0.74 -0.22 -0.55 8.41 8.11 2olsA1 HIS 176 HA -0.27 -0.01 0.47 -0.75 4.63 4.06 2olsA1 HIS 176 HB2 -0.27 0.09 -0.01 -0.04 3.26 3.03 2olsA1 HIS 176 HB3 -0.38 0.01 -0.05 -0.04 3.20 2.73 2olsA1 HIS 176 HD2 -0.08 0.00 -0.16 -0.04 6.97 6.69 2olsA1 HIS 176 HE1 0.03 -0.08 -0.05 -0.04 7.75 7.60 2olsA1 LYS 177 H -0.50 0.52 -0.01 -0.55 8.42 7.88 2olsA1 LYS 177 HA -0.42 -0.01 0.42 -0.75 4.32 3.55 2olsA1 LYS 177 HB2 -0.87 0.06 0.13 -0.04 1.87 1.14 2olsA1 LYS 177 HB3 -0.86 -0.02 0.04 -0.04 1.79 0.91 2olsA1 LYS 177 HG2 -0.44 -0.03 0.05 -0.04 1.46 0.99 2olsA1 LYS 177 HG3 -1.10 0.05 0.08 -0.04 1.46 0.46 2olsA1 LYS 177 HD2 -0.17 -0.04 -0.01 -0.04 1.69 1.43 2olsA1 LYS 177 HD3 -0.10 0.00 0.02 -0.04 1.68 1.56 2olsA1 LYS 177 HE2 -0.14 -0.03 0.00 -0.04 2.99 2.79 2olsA1 LYS 177 HE3 0.01 -0.01 0.00 -0.04 2.99 2.95 2olsA1 GLY 178 H -0.43 0.05 -1.18 -0.55 8.43 6.32 2olsA1 GLY 178 HA2 -0.16 0.02 0.31 -0.51 4.01 3.68 2olsA1 GLY 178 HA3 -0.20 0.00 0.20 -0.51 4.01 3.50 2olsA1 PHE 179 H -0.02 0.06 0.07 -0.55 8.34 7.89 2olsA1 PHE 179 HA -0.00 0.19 0.64 -0.75 4.62 4.69 2olsA1 PHE 179 HB2 -0.00 -0.00 -0.05 -0.04 3.15 3.06 2olsA1 PHE 179 HB3 0.01 0.06 -0.28 -0.04 3.06 2.81 2olsA1 PHE 179 HD2 -0.01 0.01 -0.07 -0.04 7.28 7.17 2olsA1 PHE 179 HE2 -0.01 -0.05 -0.07 -0.04 7.38 7.21 2olsA1 PHE 179 HZ -0.04 -0.04 -0.06 -0.04 7.32 7.14 2olsA1 ASP 182 HA 0.10 -0.03 -0.05 -0.75 4.63 3.89 2olsA1 ASP 182 HB2 0.05 0.02 0.31 -0.04 2.71 3.05 2olsA1 ASP 182 HB3 0.07 -0.07 0.03 -0.04 2.70 2.69 2olsA1 ILE 183 H 0.20 -0.03 0.05 -0.55 8.25 7.91 2olsA1 ILE 183 HA 0.08 0.05 0.30 -0.75 4.18 3.85 2olsA1 ILE 183 HB 0.09 -0.01 -0.05 -0.04 1.89 1.88 2olsA1 ILE 183 HG12 0.26 0.02 0.08 -0.04 1.49 1.81 2olsA1 ILE 183 HG13 0.14 0.11 -0.61 -0.04 1.21 0.81 2olsA1 ILE 183 HG23 0.18 -0.13 -0.07 -0.04 0.93 0.87 2olsA1 ILE 183 HD13 0.08 -0.04 -0.01 -0.04 0.88 0.87 2olsA1 VAL 184 H 0.17 0.19 0.19 -0.55 8.24 8.25 2olsA1 VAL 184 HA -0.03 0.22 0.87 -0.75 4.13 4.43 2olsA1 VAL 184 HB -0.14 0.03 -0.10 -0.04 2.12 1.87 2olsA1 VAL 184 HG13 -0.09 -0.00 0.01 -0.04 0.97 0.85 2olsA1 VAL 184 HG23 0.02 0.03 -0.26 -0.04 0.95 0.70 2olsA1 ALA 185 H -0.16 0.20 0.20 -0.55 8.40 8.09 2olsA1 ALA 185 HA -0.75 0.20 0.78 -0.75 4.34 3.82 2olsA1 ALA 185 HB3 -0.17 0.01 0.05 -0.04 1.41 1.26 2olsA1 LEU 186 H -1.28 0.27 0.18 -0.55 8.37 6.99 2olsA1 LEU 186 HA -0.24 0.05 0.23 -0.75 4.35 3.64 2olsA1 LEU 186 HB2 -0.16 -0.09 -0.03 -0.04 1.64 1.32 2olsA1 LEU 186 HB3 -0.30 0.11 -0.07 -0.04 1.64 1.33 2olsA1 LEU 186 HG -0.34 0.00 -0.14 -0.04 1.64 1.12 2olsA1 LEU 186 HD13 0.06 -0.01 -0.53 -0.04 0.93 0.41 2olsA1 LEU 186 HD23 -0.08 0.05 -0.15 -0.04 0.89 0.67 2olsA1 SER 187 H -0.08 0.34 0.02 -0.55 8.46 8.19 2olsA1 SER 187 HA -0.00 0.09 0.71 -0.75 4.49 4.53 2olsA1 SER 187 HB2 -0.00 0.02 0.01 -0.04 3.95 3.94 2olsA1 SER 187 HB3 -0.00 0.24 0.05 -0.04 3.93 4.18 2olsA1 ALA 188 H 0.16 0.10 0.18 -0.55 8.40 8.30 2olsA1 ALA 188 HA 0.10 0.34 1.00 -0.75 4.34 5.01 2olsA1 ALA 188 HB3 0.14 -0.01 0.04 -0.04 1.41 1.54 2olsA1 GLY 189 H 0.04 0.65 0.30 -0.55 8.43 8.87 2olsA1 GLY 189 HA2 0.07 0.23 0.98 -0.51 4.01 4.78 2olsA1 GLY 189 HA3 0.14 -0.01 0.29 -0.51 4.01 3.92 2olsA1 VAL 190 H -0.41 0.75 0.34 -0.55 8.24 8.37 2olsA1 VAL 190 HA -0.16 0.37 1.11 -0.75 4.13 4.69 2olsA1 VAL 190 HB -1.64 -0.05 0.18 -0.04 2.12 0.57 2olsA1 VAL 190 HG13 -0.17 -0.02 -0.18 -0.04 0.97 0.56 2olsA1 VAL 190 HG23 -0.26 -0.01 -0.19 -0.04 0.95 0.46 2olsA1 GLN 191 H -0.01 0.62 0.31 -0.55 8.47 8.84 2olsA1 GLN 191 HA 0.12 0.28 0.99 -0.75 4.36 4.99 2olsA1 GLN 191 HB2 0.17 -0.06 -0.16 -0.04 2.15 2.06 2olsA1 GLN 191 HB3 0.05 -0.11 0.03 -0.04 2.02 1.94 2olsA1 GLN 191 HG2 0.06 0.14 -0.12 -0.04 2.40 2.44 2olsA1 GLN 191 HG3 0.20 0.15 -0.15 -0.04 2.39 2.54 2olsA1 GLN 191 HE21 -0.08 0.30 0.14 -0.04 6.97 7.29 2olsA1 GLN 191 HE22 -0.04 0.24 0.03 -0.04 7.69 7.88 2olsA1 ARG 192 H 0.07 0.62 0.25 -0.55 8.46 8.85 2olsA1 ARG 192 HA 0.03 0.09 0.61 -0.75 4.34 4.32 2olsA1 ARG 192 HB2 0.05 0.04 0.15 -0.04 1.90 2.09 2olsA1 ARG 192 HB3 0.02 -0.06 0.05 -0.04 1.80 1.76 2olsA1 ARG 192 HG2 0.01 0.05 0.17 -0.04 1.67 1.86 2olsA1 ARG 192 HG3 0.01 -0.02 0.05 -0.04 1.67 1.66 2olsA1 ARG 192 HD2 0.02 -0.05 0.01 -0.04 3.22 3.15 2olsA1 ARG 192 HD3 -0.02 0.04 -0.03 -0.04 3.22 3.17 2olsA1 MET 193 H 0.03 0.50 0.33 -0.55 8.47 8.79 2olsA1 MET 193 HA 0.02 0.05 0.67 -0.75 4.52 4.50 2olsA1 MET 193 HB2 0.10 0.03 -0.01 -0.04 2.15 2.23 2olsA1 MET 193 HB3 0.19 0.03 -0.09 -0.04 2.03 2.11 2olsA1 MET 193 HG2 0.03 0.02 -0.27 -0.04 2.63 2.37 2olsA1 MET 193 HG3 0.01 -0.12 -0.30 -0.04 2.56 2.11 2olsA1 MET 193 HE3 0.01 0.04 -0.06 -0.04 2.10 2.05 2olsA1 VAL 194 H -0.03 0.16 0.17 -0.55 8.24 7.99 2olsA1 VAL 194 HA -0.19 0.14 0.72 -0.75 4.13 4.05 2olsA1 VAL 194 HB -0.07 -0.04 0.07 -0.04 2.12 2.04 2olsA1 VAL 194 HG13 -0.08 -0.02 -0.26 -0.04 0.97 0.56 2olsA1 VAL 194 HG23 -0.36 0.06 -0.06 -0.04 0.95 0.56 2olsA1 ARG 195 H -0.07 0.18 0.07 -0.55 8.46 8.09 2olsA1 ARG 195 HA -0.13 0.17 0.50 -0.75 4.34 4.12 2olsA1 ARG 195 HB2 -0.03 -0.19 0.25 -0.04 1.90 1.89 2olsA1 ARG 195 HB3 -0.10 0.03 0.22 -0.04 1.80 1.90 2olsA1 ARG 195 HG2 -0.02 0.05 0.07 -0.04 1.67 1.73 2olsA1 ARG 195 HG3 -0.02 0.08 0.05 -0.04 1.67 1.73 2olsA1 ARG 195 HD2 0.03 -0.07 -0.48 -0.04 3.22 2.66 2olsA1 ARG 195 HD3 0.07 0.11 -0.08 -0.04 3.22 3.28 2olsA1 SER 196 H -0.05 0.43 -0.36 -0.55 8.46 7.93 2olsA1 SER 196 HA -0.00 0.23 0.69 -0.75 4.49 4.65 2olsA1 SER 196 HB2 -0.06 0.23 -0.17 -0.04 3.95 3.90 2olsA1 SER 196 HB3 -0.00 0.10 -0.01 -0.04 3.93 3.98 2olsA1 ASP 197 H -0.22 0.04 -0.29 -0.55 8.40 7.39 2olsA1 ASP 197 HA -0.10 0.17 0.56 -0.75 4.63 4.50 2olsA1 ASP 197 HB2 -0.33 -0.03 0.13 -0.04 2.71 2.44 2olsA1 ASP 197 HB3 -0.49 -0.00 0.07 -0.04 2.70 2.24 2olsA1 SER 198 H -0.14 0.08 -0.24 -0.55 8.46 7.61 2olsA1 SER 198 HA -0.05 0.26 0.87 -0.75 4.49 4.81 2olsA1 SER 198 HB2 -0.03 0.07 0.15 -0.04 3.95 4.10 2olsA1 SER 198 HB3 -0.08 -0.04 0.01 -0.04 3.93 3.77 2olsA1 GLY 199 H -0.01 -0.07 -0.45 -0.55 8.43 7.35 2olsA1 GLY 199 HA2 0.09 0.20 0.81 -0.51 4.01 4.60 2olsA1 GLY 199 HA3 0.07 0.11 0.44 -0.51 4.01 4.11 2olsA1 ALA 200 H 0.13 0.24 0.35 -0.55 8.40 8.57 2olsA1 ALA 200 HA 0.05 0.15 1.06 -0.75 4.34 4.84 2olsA1 ALA 200 HB3 0.18 0.01 -0.04 -0.04 1.41 1.51 2olsA1 SER 201 H -0.23 0.80 0.41 -0.55 8.46 8.89 2olsA1 SER 201 HA -1.73 -0.00 0.47 -0.75 4.49 2.48 2olsA1 SER 201 HB2 -0.60 0.13 0.43 -0.04 3.95 3.88 2olsA1 SER 201 HB3 -0.32 -0.04 0.22 -0.04 3.93 3.75 2olsA1 GLY 202 H -1.64 0.54 0.41 -0.55 8.43 7.19 2olsA1 GLY 202 HA2 -0.38 -0.07 0.35 -0.51 4.01 3.40 2olsA1 GLY 202 HA3 -0.32 0.37 0.61 -0.51 4.01 4.16 2olsA1 VAL 203 H 0.03 0.30 0.27 -0.55 8.24 8.30 2olsA1 VAL 203 HA -0.05 0.28 1.19 -0.75 4.13 4.81 2olsA1 VAL 203 HB 0.02 -0.03 0.05 -0.04 2.12 2.11 2olsA1 VAL 203 HG13 -0.50 0.04 -0.12 -0.04 0.97 0.35 2olsA1 VAL 203 HG23 -0.10 -0.03 -0.21 -0.04 0.95 0.57 2olsA1 MET 204 H -0.06 0.73 0.46 -0.55 8.47 9.05 2olsA1 MET 204 HA 0.04 0.31 1.15 -0.75 4.52 5.27 2olsA1 MET 204 HB2 0.03 -0.05 0.10 -0.04 2.15 2.19 2olsA1 MET 204 HB3 0.00 0.04 -0.09 -0.04 2.03 1.94 2olsA1 MET 204 HG2 -0.04 0.07 0.00 -0.04 2.63 2.63 2olsA1 MET 204 HG3 0.03 -0.10 -0.17 -0.04 2.56 2.28 2olsA1 MET 204 HE3 0.01 -0.01 -0.14 -0.04 2.10 1.91 2olsA1 PHE 205 H 0.33 0.54 0.45 -0.55 8.34 9.10 2olsA1 PHE 205 HA 0.07 0.38 1.13 -0.75 4.62 5.44 2olsA1 PHE 205 HB2 0.20 0.02 0.27 -0.04 3.15 3.60 2olsA1 PHE 205 HB3 0.09 -0.00 0.18 -0.04 3.06 3.29 2olsA1 PHE 205 HD2 0.14 0.02 -0.03 -0.04 7.28 7.37 2olsA1 PHE 205 HE2 0.06 0.03 -0.07 -0.04 7.38 7.36 2olsA1 PHE 205 HZ 0.06 0.03 -0.05 -0.04 7.32 7.32 2olsA1 THR 206 H 0.13 0.42 0.30 -0.55 8.28 8.58 2olsA1 THR 206 HA 0.07 0.11 0.83 -0.75 4.39 4.65 2olsA1 THR 206 HB 0.02 0.06 0.18 -0.04 4.32 4.54 2olsA1 THR 206 HG23 0.04 0.03 -0.02 -0.04 1.22 1.23 2olsA1 LEU 207 H 0.18 0.10 -0.27 -0.55 8.37 7.82 2olsA1 LEU 207 HA -0.01 0.24 0.33 -0.75 4.35 4.16 2olsA1 LEU 207 HB2 0.01 0.07 -0.26 -0.04 1.64 1.42 2olsA1 LEU 207 HB3 0.00 0.09 0.07 -0.04 1.64 1.76 2olsA1 LEU 207 HG 0.07 -0.14 -0.22 -0.04 1.64 1.31 2olsA1 LEU 207 HD13 0.07 -0.01 -0.42 -0.04 0.93 0.52 2olsA1 LEU 207 HD23 0.03 0.03 -0.12 -0.04 0.89 0.79 2olsA1 ASP 208 H 0.00 0.78 0.13 -0.55 8.40 8.77 2olsA1 ASP 208 HA 0.02 0.06 0.75 -0.75 4.63 4.70 2olsA1 ASP 208 HB2 0.11 0.07 0.08 -0.04 2.71 2.93 2olsA1 ASP 208 HB3 0.09 -0.06 0.21 -0.04 2.70 2.89 2olsA1 THR 209 H -0.17 0.20 0.07 -0.55 8.28 7.83 2olsA1 THR 209 HA -0.08 0.15 0.29 -0.75 4.39 4.00 2olsA1 THR 209 HB -0.31 -0.11 0.14 -0.04 4.32 3.99 2olsA1 THR 209 HG23 -0.16 0.04 -0.15 -0.04 1.22 0.91 2olsA1 GLU 210 H -0.13 -0.01 -0.11 -0.55 8.60 7.81 2olsA1 GLU 210 HA -0.05 0.16 0.38 -0.75 4.29 4.03 2olsA1 GLU 210 HB2 -0.04 -0.18 0.09 -0.04 2.09 1.91 2olsA1 GLU 210 HB3 -0.05 0.05 -0.00 -0.04 1.99 1.95 2olsA1 GLU 210 HG2 -0.06 -0.01 0.03 -0.04 2.34 2.26 2olsA1 GLU 210 HG3 -0.05 0.11 0.04 -0.04 2.34 2.39 2olsA1 SER 211 H 0.01 -0.07 -0.18 -0.55 8.46 7.67 2olsA1 SER 211 HA -0.01 0.15 0.37 -0.75 4.49 4.24 2olsA1 SER 211 HB2 0.02 0.18 -0.20 -0.04 3.95 3.91 2olsA1 SER 211 HB3 0.00 -0.14 -0.19 -0.04 3.93 3.56 2olsA1 GLY 212 H 0.03 0.57 -0.09 -0.55 8.43 8.39 2olsA1 GLY 212 HA2 0.03 0.06 0.26 -0.51 4.01 3.84 2olsA1 GLY 212 HA3 0.04 0.18 0.78 -0.51 4.01 4.49 2olsA1 TYR 213 H 0.15 -0.06 -0.14 -0.55 8.29 7.69 2olsA1 TYR 213 HA -0.02 0.12 0.41 -0.75 4.56 4.31 2olsA1 TYR 213 HB2 -0.02 0.16 0.12 -0.04 3.06 3.27 2olsA1 TYR 213 HB3 -0.18 -0.16 0.15 -0.04 2.98 2.76 2olsA1 TYR 213 HD2 -0.52 -0.03 0.00 -0.04 7.15 6.57 2olsA1 TYR 213 HE2 -0.11 0.06 -0.08 -0.04 6.85 6.69 2olsA1 ASP 214 H -0.17 0.20 0.24 -0.55 8.40 8.12 2olsA1 ASP 214 HA -0.13 0.15 0.73 -0.75 4.63 4.63 2olsA1 ASP 214 HB2 -0.06 0.05 0.22 -0.04 2.71 2.87 2olsA1 ASP 214 HB3 -0.04 0.11 0.12 -0.04 2.70 2.85 2olsA1 GLN 215 H -1.12 0.06 -0.14 -0.55 8.47 6.72 2olsA1 GLN 215 HA -0.29 0.20 0.70 -0.75 4.36 4.22 2olsA1 GLN 215 HB2 -0.95 0.02 0.08 -0.04 2.15 1.25 2olsA1 GLN 215 HB3 -0.15 -0.04 0.20 -0.04 2.02 1.99 2olsA1 GLN 215 HG2 -0.23 -0.06 -0.02 -0.04 2.40 2.05 2olsA1 GLN 215 HG3 0.03 0.13 0.03 -0.04 2.39 2.54 2olsA1 GLN 215 HE21 -0.10 0.02 -0.07 -0.04 6.97 6.78 2olsA1 GLN 215 HE22 -0.13 -0.08 -0.24 -0.04 7.69 7.20 2olsA1 VAL 216 H -0.29 0.23 -0.42 -0.55 8.24 7.22 2olsA1 VAL 216 HA 0.01 0.24 0.98 -0.75 4.13 4.60 2olsA1 VAL 216 HB -0.39 -0.09 -0.23 -0.04 2.12 1.38 2olsA1 VAL 216 HG13 0.05 -0.01 -0.29 -0.04 0.97 0.67 2olsA1 VAL 216 HG23 0.08 0.01 -0.14 -0.04 0.95 0.86 2olsA1 VAL 217 H 0.06 0.61 0.31 -0.55 8.24 8.67 2olsA1 VAL 217 HA 0.09 0.30 0.94 -0.75 4.13 4.70 2olsA1 VAL 217 HB 0.00 -0.10 0.07 -0.04 2.12 2.05 2olsA1 VAL 217 HG13 0.02 0.00 -0.20 -0.04 0.97 0.75 2olsA1 VAL 217 HG23 -0.03 0.01 -0.08 -0.04 0.95 0.81 2olsA1 PHE 218 H 0.27 0.74 0.33 -0.55 8.34 9.13 2olsA1 PHE 218 HA -0.24 0.24 1.00 -0.75 4.62 4.87 2olsA1 PHE 218 HB2 0.01 -0.00 0.09 -0.04 3.15 3.21 2olsA1 PHE 218 HB3 0.19 -0.06 0.30 -0.04 3.06 3.44 2olsA1 PHE 218 HD2 -0.58 0.07 0.04 -0.04 7.28 6.77 2olsA1 PHE 218 HE2 -0.22 -0.01 -0.07 -0.04 7.38 7.05 2olsA1 PHE 218 HZ -0.05 0.02 -0.03 -0.04 7.32 7.21 2olsA1 VAL 219 H -0.20 0.69 0.38 -0.55 8.24 8.57 2olsA1 VAL 219 HA -0.06 0.21 1.09 -0.75 4.13 4.62 2olsA1 VAL 219 HB -0.07 0.02 0.00 -0.04 2.12 2.03 2olsA1 VAL 219 HG13 -0.05 0.02 -0.29 -0.04 0.97 0.61 2olsA1 VAL 219 HG23 0.08 -0.01 -0.21 -0.04 0.95 0.76 2olsA1 THR 220 H 0.01 0.59 0.34 -0.55 8.28 8.67 2olsA1 THR 220 HA -0.20 0.47 1.09 -0.75 4.39 4.99 2olsA1 THR 220 HB -0.12 0.02 0.15 -0.04 4.32 4.32 2olsA1 THR 220 HG23 -0.58 0.01 -0.07 -0.04 1.22 0.54 2olsA1 SER 221 H -0.00 0.49 0.34 -0.55 8.46 8.73 2olsA1 SER 221 HA 0.18 0.27 0.86 -0.75 4.49 5.05 2olsA1 SER 221 HB2 0.69 0.05 -0.36 -0.04 3.95 4.29 2olsA1 SER 221 HB3 0.42 -0.05 -0.08 -0.04 3.93 4.18 2olsA1 SER 222 H -0.11 0.71 0.42 -0.55 8.46 8.94 2olsA1 SER 222 HA -0.24 0.11 0.46 -0.75 4.49 4.07 2olsA1 SER 222 HB2 -0.07 -0.06 -0.12 -0.04 3.95 3.66 2olsA1 SER 222 HB3 -0.06 0.07 0.01 -0.04 3.93 3.91 2olsA1 TYR 223 H -0.09 0.16 0.18 -0.55 8.29 8.00 2olsA1 TYR 223 HA 0.01 0.21 0.85 -0.75 4.56 4.88 2olsA1 TYR 223 HB2 0.01 -0.03 0.05 -0.04 3.06 3.05 2olsA1 TYR 223 HB3 0.01 0.09 0.06 -0.04 2.98 3.09 2olsA1 TYR 223 HD2 0.03 0.10 -0.02 -0.04 7.15 7.22 2olsA1 TYR 223 HE2 0.05 0.13 -0.17 -0.04 6.85 6.82 2olsA1 GLY 224 H 0.09 0.47 0.15 -0.55 8.43 8.59 2olsA1 GLY 224 HA2 0.00 0.14 0.40 -0.51 4.01 4.04 2olsA1 GLY 224 HA3 0.02 -0.06 0.67 -0.51 4.01 4.13 2olsA1 LEU 225 H -0.01 0.40 0.20 -0.55 8.37 8.42 2olsA1 LEU 225 HA -0.06 0.04 0.39 -0.75 4.35 3.97 2olsA1 LEU 225 HB2 0.01 -0.03 0.03 -0.04 1.64 1.61 2olsA1 LEU 225 HB3 0.00 -0.05 0.02 -0.04 1.64 1.57 2olsA1 LEU 225 HG 0.04 0.18 -0.06 -0.04 1.64 1.75 2olsA1 LEU 225 HD13 0.28 -0.00 -0.18 -0.04 0.93 0.99 2olsA1 LEU 225 HD23 0.05 -0.02 -0.08 -0.04 0.89 0.80 2olsA1 GLY 226 H -0.13 0.16 0.10 -0.55 8.43 8.01 2olsA1 GLY 226 HA2 -0.20 0.14 0.10 -0.51 4.01 3.54 2olsA1 GLY 226 HA3 -0.24 0.13 0.29 -0.51 4.01 3.68 2olsA1 GLU 227 H -0.07 0.04 -0.56 -0.55 8.60 7.46 2olsA1 GLU 227 HA -0.07 0.11 0.27 -0.75 4.29 3.84 2olsA1 GLU 227 HB2 -0.05 -0.06 -0.03 -0.04 2.09 1.91 2olsA1 GLU 227 HB3 -0.05 0.03 -0.08 -0.04 1.99 1.85 2olsA1 GLU 227 HG2 -0.08 0.02 -0.09 -0.04 2.34 2.15 2olsA1 GLU 227 HG3 -0.07 0.05 -0.08 -0.04 2.34 2.21 2olsA1 ASN 228 H -0.05 0.25 -0.31 -0.55 8.53 7.87 2olsA1 ASN 228 HA -0.03 0.07 0.33 -0.75 4.76 4.37 2olsA1 ASN 228 HB2 -0.03 0.14 -0.02 -0.04 2.88 2.93 2olsA1 ASN 228 HB3 -0.02 0.02 -0.23 -0.04 2.79 2.53 2olsA1 ASN 228 HD21 0.01 -0.02 -0.21 -0.04 7.03 6.77 2olsA1 ASN 228 HD22 0.00 0.04 -0.12 -0.04 7.74 7.63 2olsA1 VAL 229 H -0.08 0.18 -0.22 -0.55 8.24 7.57 2olsA1 VAL 229 HA -0.03 0.14 0.66 -0.75 4.13 4.14 2olsA1 VAL 229 HB -0.05 0.05 0.04 -0.04 2.12 2.11 2olsA1 VAL 229 HG13 -0.12 0.00 -0.09 -0.04 0.97 0.73 2olsA1 VAL 229 HG23 -0.09 0.01 -0.12 -0.04 0.95 0.70 2olsA1 VAL 230 H -0.07 0.44 -0.14 -0.55 8.24 7.92 2olsA1 VAL 230 HA -0.01 0.07 0.30 -0.75 4.13 3.74 2olsA1 VAL 230 HB -0.06 0.03 0.10 -0.04 2.12 2.15 2olsA1 VAL 230 HG13 -0.03 0.01 -0.09 -0.04 0.97 0.82 2olsA1 VAL 230 HG23 -0.09 0.01 -0.05 -0.04 0.95 0.77 2olsA1 GLN 231 H -0.03 0.30 -0.28 -0.55 8.47 7.91 2olsA1 GLN 231 HA -0.01 0.17 0.51 -0.75 4.36 4.27 2olsA1 GLN 231 HB2 -0.03 -0.06 0.03 -0.04 2.15 2.05 2olsA1 GLN 231 HB3 -0.02 -0.03 0.06 -0.04 2.02 1.98 2olsA1 GLN 231 HG2 -0.04 0.03 -0.02 -0.04 2.40 2.32 2olsA1 GLN 231 HG3 -0.05 -0.11 -0.04 -0.04 2.39 2.15 2olsA1 GLN 231 HE21 -0.04 0.30 -0.00 -0.04 6.97 7.18 2olsA1 GLN 231 HE22 -0.04 -0.09 -0.15 -0.04 7.69 7.37 2olsA1 GLY 232 H -0.00 0.31 -0.49 -0.55 8.43 7.70 2olsA1 GLY 232 HA2 0.00 0.09 0.36 -0.51 4.01 3.96 2olsA1 GLY 232 HA3 0.01 0.06 0.50 -0.51 4.01 4.07 2olsA1 ALA 233 H -0.01 0.42 -0.03 -0.55 8.40 8.23 2olsA1 ALA 233 HA 0.00 0.12 0.45 -0.75 4.34 4.16 2olsA1 ALA 233 HB3 -0.01 -0.04 -0.00 -0.04 1.41 1.32 2olsA1 VAL 234 H -0.01 0.27 -0.24 -0.55 8.24 7.71 2olsA1 VAL 234 HA -0.01 0.06 0.69 -0.75 4.13 4.12 2olsA1 VAL 234 HB 0.00 -0.01 -0.25 -0.04 2.12 1.82 2olsA1 VAL 234 HG13 -0.03 0.02 -0.36 -0.04 0.97 0.55 2olsA1 VAL 234 HG23 -0.01 0.00 -0.02 -0.04 0.95 0.88 2olsA1 ASN 235 H -0.09 0.05 0.11 -0.55 8.53 8.05 2olsA1 ASN 235 HA -0.03 0.28 0.86 -0.75 4.76 5.12 2olsA1 ASN 235 HB2 -0.05 0.08 0.12 -0.04 2.88 2.99 2olsA1 ASN 235 HB3 -0.13 -0.20 0.28 -0.04 2.79 2.70 2olsA1 ASN 235 HD21 0.01 0.04 0.01 -0.04 7.03 7.04 2olsA1 ASN 235 HD22 -0.00 0.04 0.10 -0.04 7.74 7.84 2olsA1 PRO 236 HA -0.05 0.08 0.52 -0.51 4.44 4.48 2olsA1 PRO 236 HB2 -0.06 -0.03 0.11 -0.04 2.28 2.26 2olsA1 PRO 236 HB3 -0.05 -0.07 -0.10 -0.04 2.02 1.77 2olsA1 PRO 236 HG2 -0.06 0.08 -0.06 -0.04 2.03 1.95 2olsA1 PRO 236 HG3 -0.03 0.04 0.04 -0.04 2.03 2.04 2olsA1 PRO 236 HD2 -0.01 0.09 0.17 -0.04 3.68 3.89 2olsA1 PRO 236 HD3 -0.02 0.37 0.20 -0.04 3.65 4.16 2olsA1 ASP 237 H -0.05 0.57 0.46 -0.55 8.40 8.83 2olsA1 ASP 237 HA -0.10 0.17 0.92 -0.75 4.63 4.87 2olsA1 ASP 237 HB2 0.03 -0.05 0.26 -0.04 2.71 2.91 2olsA1 ASP 237 HB3 -0.30 0.04 0.11 -0.04 2.70 2.51 2olsA1 GLU 238 H -0.36 0.68 0.40 -0.55 8.60 8.77 2olsA1 GLU 238 HA -0.50 0.28 1.08 -0.75 4.29 4.39 2olsA1 GLU 238 HB2 0.01 -0.03 0.12 -0.04 2.09 2.15 2olsA1 GLU 238 HB3 0.14 -0.03 0.00 -0.04 1.99 2.07 2olsA1 GLU 238 HG2 -0.13 -0.01 -0.07 -0.04 2.34 2.09 2olsA1 GLU 238 HG3 -0.09 0.08 -0.51 -0.04 2.34 1.77 2olsA1 PHE 239 H -0.29 0.52 0.37 -0.55 8.34 8.38 2olsA1 PHE 239 HA 0.05 0.33 1.08 -0.75 4.62 5.32 2olsA1 PHE 239 HB2 -0.11 -0.04 0.06 -0.04 3.15 3.02 2olsA1 PHE 239 HB3 -0.07 0.01 0.05 -0.04 3.06 3.01 2olsA1 PHE 239 HD2 -0.15 0.07 -0.05 -0.04 7.28 7.11 2olsA1 PHE 239 HE2 -0.49 -0.02 -0.14 -0.04 7.38 6.69 2olsA1 PHE 239 HZ 0.04 -0.10 -0.04 -0.04 7.32 7.17 2olsA1 TYR 240 H 0.38 0.39 0.35 -0.55 8.29 8.87 2olsA1 TYR 240 HA 0.29 0.37 1.09 -0.75 4.56 5.55 2olsA1 TYR 240 HB2 0.24 -0.08 0.13 -0.04 3.06 3.31 2olsA1 TYR 240 HB3 0.28 0.05 -0.04 -0.04 2.98 3.23 2olsA1 TYR 240 HD2 0.22 0.02 -0.15 -0.04 7.15 7.20 2olsA1 TYR 240 HE2 0.03 -0.02 -0.09 -0.04 6.85 6.73 2olsA1 VAL 241 H 0.21 0.63 0.35 -0.55 8.24 8.88 2olsA1 VAL 241 HA 0.11 0.24 0.99 -0.75 4.13 4.72 2olsA1 VAL 241 HB 0.00 -0.01 0.05 -0.04 2.12 2.11 2olsA1 VAL 241 HG13 -0.08 -0.00 -0.22 -0.04 0.97 0.62 2olsA1 VAL 241 HG23 -0.03 -0.01 -0.29 -0.04 0.95 0.58 2olsA1 PHE 242 H 0.17 0.63 0.30 -0.55 8.34 8.89 2olsA1 PHE 242 HA -0.06 0.16 0.71 -0.75 4.62 4.68 2olsA1 PHE 242 HB2 -0.01 0.02 0.08 -0.04 3.15 3.20 2olsA1 PHE 242 HB3 -0.08 -0.07 0.17 -0.04 3.06 3.05 2olsA1 PHE 242 HD2 -0.14 0.01 0.02 -0.04 7.28 7.13 2olsA1 PHE 242 HE2 -0.47 0.03 0.01 -0.04 7.38 6.91 2olsA1 PHE 242 HZ -0.11 0.09 0.04 -0.04 7.32 7.30 2olsA1 LYS 243 H -0.34 0.76 0.36 -0.55 8.42 8.66 2olsA1 LYS 243 HA -0.20 -0.01 0.13 -0.75 4.32 3.48 2olsA1 LYS 243 HB2 -0.32 0.08 0.10 -0.04 1.87 1.69 2olsA1 LYS 243 HB3 -0.19 -0.03 -0.05 -0.04 1.79 1.47 2olsA1 LYS 243 HG2 -0.12 -0.09 -0.18 -0.04 1.46 1.03 2olsA1 LYS 243 HG3 -0.16 0.05 -0.53 -0.04 1.46 0.78 2olsA1 LYS 243 HD2 -0.15 0.07 0.01 -0.04 1.69 1.58 2olsA1 LYS 243 HD3 -0.10 -0.07 -0.07 -0.04 1.68 1.40 2olsA1 LYS 243 HE2 -0.05 -0.18 -0.19 -0.04 2.99 2.53 2olsA1 LYS 243 HE3 -0.10 0.01 -0.37 -0.04 2.99 2.49 2olsA1 PRO 244 HA -0.24 0.09 0.47 -0.51 4.44 4.25 2olsA1 PRO 244 HB2 -0.56 0.04 0.03 -0.04 2.28 1.75 2olsA1 PRO 244 HB3 -0.19 0.05 0.06 -0.04 2.02 1.90 2olsA1 PRO 244 HG2 -0.72 0.11 0.06 -0.04 2.03 1.44 2olsA1 PRO 244 HG3 -0.35 0.06 0.07 -0.04 2.03 1.76 2olsA1 PRO 244 HD2 -2.68 0.05 0.04 -0.04 3.68 1.05 2olsA1 PRO 244 HD3 -0.81 0.16 0.24 -0.04 3.65 3.21 2olsA1 THR 245 H -0.39 0.16 -0.22 -0.55 8.28 7.28 2olsA1 THR 245 HA -0.06 0.07 0.41 -0.75 4.39 4.06 2olsA1 THR 245 HB 0.02 0.08 -0.05 -0.04 4.32 4.33 2olsA1 THR 245 HG23 0.00 0.02 -0.03 -0.04 1.22 1.17 2olsA1 LEU 246 H -0.14 0.42 -0.17 -0.55 8.37 7.93 2olsA1 LEU 246 HA -0.08 0.10 0.46 -0.75 4.35 4.08 2olsA1 LEU 246 HB2 -0.14 -0.05 0.02 -0.04 1.64 1.43 2olsA1 LEU 246 HB3 -0.18 0.11 0.05 -0.04 1.64 1.58 2olsA1 LEU 246 HG -0.47 0.03 -0.23 -0.04 1.64 0.92 2olsA1 LEU 246 HD13 -0.50 -0.01 -0.03 -0.04 0.93 0.35 2olsA1 LEU 246 HD23 -0.32 -0.03 -0.27 -0.04 0.89 0.23 2olsA1 LYS 247 H -0.11 0.56 -0.18 -0.55 8.42 8.14 2olsA1 LYS 247 HA 0.02 0.02 0.49 -0.75 4.32 4.10 2olsA1 LYS 247 HB2 -0.07 0.16 0.10 -0.04 1.87 2.02 2olsA1 LYS 247 HB3 -0.03 -0.07 0.01 -0.04 1.79 1.66 2olsA1 LYS 247 HG2 -0.03 -0.06 0.00 -0.04 1.46 1.33 2olsA1 LYS 247 HG3 -0.09 0.11 0.05 -0.04 1.46 1.49 2olsA1 LYS 247 HD2 -0.11 -0.00 -0.08 -0.04 1.69 1.46 2olsA1 LYS 247 HD3 -0.05 -0.04 -0.03 -0.04 1.68 1.52 2olsA1 LYS 247 HE2 -0.05 -0.03 -0.05 -0.04 2.99 2.82 2olsA1 LYS 247 HE3 -0.10 -0.03 -0.11 -0.04 2.99 2.71 2olsA1 ALA 248 H -0.04 0.31 -0.23 -0.55 8.40 7.90 2olsA1 ALA 248 HA -0.01 0.07 0.72 -0.75 4.34 4.36 2olsA1 ALA 248 HB3 -0.01 -0.01 0.10 -0.04 1.41 1.45 2olsA1 GLY 249 H 0.01 0.32 -0.54 -0.55 8.43 7.67 2olsA1 GLY 249 HA2 0.04 0.01 0.25 -0.51 4.01 3.81 2olsA1 GLY 249 HA3 0.01 -0.00 0.39 -0.51 4.01 3.89 2olsA1 LYS 250 H -0.00 0.39 -0.14 -0.55 8.42 8.12 2olsA1 LYS 250 HA 0.00 0.08 0.57 -0.75 4.32 4.22 2olsA1 LYS 250 HB2 0.01 -0.05 -0.09 -0.04 1.87 1.69 2olsA1 LYS 250 HB3 0.01 0.25 0.09 -0.04 1.79 2.10 2olsA1 LYS 250 HG2 0.01 -0.01 -0.09 -0.04 1.46 1.32 2olsA1 LYS 250 HG3 0.00 -0.03 -0.21 -0.04 1.46 1.19 2olsA1 LYS 250 HD2 0.02 -0.01 -0.14 -0.04 1.69 1.52 2olsA1 LYS 250 HD3 0.02 0.07 -0.26 -0.04 1.68 1.47 2olsA1 LYS 250 HE2 0.02 0.00 -0.04 -0.04 2.99 2.93 2olsA1 LYS 250 HE3 0.04 -0.03 -0.02 -0.04 2.99 2.93 2olsA1 PRO 251 HA -0.02 -0.04 0.50 -0.51 4.44 4.38 2olsA1 PRO 251 HB2 -0.00 0.01 -0.04 -0.04 2.28 2.20 2olsA1 PRO 251 HB3 -0.02 -0.06 0.06 -0.04 2.02 1.96 2olsA1 PRO 251 HG2 -0.00 -0.02 -0.06 -0.04 2.03 1.91 2olsA1 PRO 251 HG3 -0.01 -0.00 0.04 -0.04 2.03 2.02 2olsA1 PRO 251 HD2 0.00 0.41 0.06 -0.04 3.68 4.11 2olsA1 PRO 251 HD3 -0.00 0.14 0.18 -0.04 3.65 3.93 2olsA1 ALA 252 H -0.03 -0.02 0.16 -0.55 8.40 7.97 2olsA1 ALA 252 HA 0.05 0.27 0.66 -0.75 4.34 4.56 2olsA1 ALA 252 HB3 -0.01 0.04 -0.06 -0.04 1.41 1.34 2olsA1 ILE 253 H -0.01 0.02 0.05 -0.55 8.25 7.76 2olsA1 ILE 253 HA 0.05 0.20 0.76 -0.75 4.18 4.44 2olsA1 ILE 253 HB -0.04 -0.02 0.10 -0.04 1.89 1.89 2olsA1 ILE 253 HG12 -0.10 0.06 -0.08 -0.04 1.49 1.33 2olsA1 ILE 253 HG13 -0.08 -0.11 0.01 -0.04 1.21 0.99 2olsA1 ILE 253 HG23 -0.01 -0.00 -0.13 -0.04 0.93 0.75 2olsA1 ILE 253 HD13 -0.19 0.03 0.01 -0.04 0.88 0.68 2olsA1 LEU 254 H 0.15 0.64 0.37 -0.55 8.37 8.99 2olsA1 LEU 254 HA 0.05 0.14 0.47 -0.75 4.35 4.25 2olsA1 LEU 254 HB2 0.21 -0.03 -0.04 -0.04 1.64 1.73 2olsA1 LEU 254 HB3 0.06 -0.03 -0.05 -0.04 1.64 1.58 2olsA1 LEU 254 HG 0.14 0.07 -0.10 -0.04 1.64 1.71 2olsA1 LEU 254 HD13 0.13 -0.01 -0.15 -0.04 0.93 0.86 2olsA1 LEU 254 HD23 -0.08 0.01 -0.24 -0.04 0.89 0.54 2olsA1 ARG 255 H 0.18 0.23 0.07 -0.55 8.46 8.38 2olsA1 ARG 255 HA 0.13 0.11 0.81 -0.75 4.34 4.63 2olsA1 ARG 255 HB2 0.10 0.12 -0.50 -0.04 1.90 1.58 2olsA1 ARG 255 HB3 0.38 -0.11 -0.03 -0.04 1.80 2.00 2olsA1 ARG 255 HG2 0.22 0.01 -0.25 -0.04 1.67 1.62 2olsA1 ARG 255 HG3 0.10 0.04 -0.02 -0.04 1.67 1.75 2olsA1 ARG 255 HD2 -0.10 0.02 -0.13 -0.04 3.22 2.98 2olsA1 ARG 255 HD3 -0.05 -0.04 -0.12 -0.04 3.22 2.97 2olsA1 LYS 256 H 0.19 0.29 0.16 -0.55 8.42 8.50 2olsA1 LYS 256 HA 0.25 0.23 0.96 -0.75 4.32 5.01 2olsA1 LYS 256 HB2 0.21 0.02 0.11 -0.04 1.87 2.17 2olsA1 LYS 256 HB3 -0.28 0.03 0.00 -0.04 1.79 1.50 2olsA1 LYS 256 HG2 0.07 0.03 -0.10 -0.04 1.46 1.43 2olsA1 LYS 256 HG3 0.08 -0.08 -0.37 -0.04 1.46 1.05 2olsA1 LYS 256 HD2 -0.11 -0.03 -0.08 -0.04 1.69 1.43 2olsA1 LYS 256 HD3 -0.19 0.06 -0.04 -0.04 1.68 1.48 2olsA1 LYS 256 HE2 -0.82 0.04 -0.04 -0.04 2.99 2.12 2olsA1 LYS 256 HE3 -0.47 -0.07 -0.06 -0.04 2.99 2.34 2olsA1 THR 257 H -0.02 0.79 0.31 -0.55 8.28 8.82 2olsA1 THR 257 HA 0.24 0.17 0.96 -0.75 4.39 5.00 2olsA1 THR 257 HB 0.07 -0.05 0.19 -0.04 4.32 4.48 2olsA1 THR 257 HG23 0.09 0.03 -0.10 -0.04 1.22 1.20 2olsA1 MET 258 H 0.24 0.20 0.11 -0.55 8.47 8.48 2olsA1 MET 258 HA 0.17 -0.05 0.61 -0.75 4.52 4.49 2olsA1 MET 258 HB2 -0.32 0.00 0.03 -0.04 2.15 1.82 2olsA1 MET 258 HB3 -0.04 0.00 0.04 -0.04 2.03 1.99 2olsA1 MET 258 HG2 -0.11 0.31 -0.14 -0.04 2.63 2.65 2olsA1 MET 258 HG3 -0.37 -0.13 -0.06 -0.04 2.56 1.96 2olsA1 MET 258 HE3 -0.94 0.00 -0.38 -0.04 2.10 0.74 2olsA1 GLY 259 H 0.00 0.02 0.18 -0.55 8.43 8.08 2olsA1 GLY 259 HA2 -0.02 0.08 0.53 -0.51 4.01 4.08 2olsA1 GLY 259 HA3 -0.04 -0.01 -0.13 -0.51 4.01 3.32 2olsA1 SER 260 H -0.09 0.06 0.18 -0.55 8.46 8.07 2olsA1 SER 260 HA -0.04 0.18 0.46 -0.75 4.49 4.33 2olsA1 SER 260 HB2 -0.27 -0.01 0.07 -0.04 3.95 3.70 2olsA1 SER 260 HB3 -0.10 0.03 0.12 -0.04 3.93 3.94 2olsA1 LYS 261 H -0.12 0.33 0.11 -0.55 8.42 8.17 2olsA1 LYS 261 HA -0.02 -0.08 0.34 -0.75 4.32 3.81 2olsA1 LYS 261 HB2 0.10 0.26 -0.23 -0.04 1.87 1.96 2olsA1 LYS 261 HB3 0.17 -0.10 0.12 -0.04 1.79 1.93 2olsA1 LYS 261 HG2 -0.04 -0.10 0.11 -0.04 1.46 1.38 2olsA1 LYS 261 HG3 -0.02 0.07 -0.22 -0.04 1.46 1.24 2olsA1 LYS 261 HD2 -0.30 -0.16 0.06 -0.04 1.69 1.25 2olsA1 LYS 261 HD3 -0.13 -0.14 0.16 -0.04 1.68 1.54 2olsA1 LYS 261 HE2 0.17 0.03 0.04 -0.04 2.99 3.20 2olsA1 LYS 261 HE3 -0.01 -0.03 0.06 -0.04 2.99 2.97 2olsA1 HIS 262 H -0.10 -0.04 0.04 -0.55 8.41 7.77 2olsA1 HIS 262 HA 0.03 0.19 0.35 -0.75 4.63 4.45 2olsA1 HIS 262 HB2 0.02 -0.04 0.13 -0.04 3.26 3.33 2olsA1 HIS 262 HB3 0.02 -0.03 0.01 -0.04 3.20 3.15 2olsA1 HIS 262 HD2 0.02 0.18 -0.07 -0.04 6.97 7.06 2olsA1 HIS 262 HE1 0.01 -0.00 0.00 -0.04 7.75 7.72 2olsA1 ILE 263 H 0.10 0.09 -0.01 -0.55 8.25 7.89 2olsA1 ILE 263 HA 0.07 0.21 1.00 -0.75 4.18 4.71 2olsA1 ILE 263 HB 0.04 -0.04 -0.03 -0.04 1.89 1.81 2olsA1 ILE 263 HG12 0.05 0.03 -0.10 -0.04 1.49 1.44 2olsA1 ILE 263 HG13 0.07 -0.08 -0.00 -0.04 1.21 1.16 2olsA1 ILE 263 HG23 0.07 -0.02 -0.31 -0.04 0.93 0.63 2olsA1 ILE 263 HD13 0.03 -0.00 -0.37 -0.04 0.88 0.49 2olsA1 LYS 264 H 0.04 0.59 0.30 -0.55 8.42 8.80 2olsA1 LYS 264 HA 0.04 0.12 0.65 -0.75 4.32 4.39 2olsA1 LYS 264 HB2 0.07 0.03 -0.27 -0.04 1.87 1.66 2olsA1 LYS 264 HB3 0.12 0.06 -0.23 -0.04 1.79 1.70 2olsA1 LYS 264 HG2 0.02 0.07 -0.21 -0.04 1.46 1.30 2olsA1 LYS 264 HG3 0.02 -0.08 -0.20 -0.04 1.46 1.15 2olsA1 LYS 264 HD2 0.01 0.07 -0.14 -0.04 1.69 1.59 2olsA1 LYS 264 HD3 -0.02 -0.01 -0.12 -0.04 1.68 1.49 2olsA1 LYS 264 HE2 -0.03 0.10 -0.12 -0.04 2.99 2.91 2olsA1 LYS 264 HE3 -0.03 -0.05 -0.08 -0.04 2.99 2.80 2olsA1 MET 265 H 0.02 0.19 0.19 -0.55 8.47 8.32 2olsA1 MET 265 HA 0.03 0.33 0.82 -0.75 4.52 4.94 2olsA1 MET 265 HB2 0.01 -0.01 0.03 -0.04 2.15 2.14 2olsA1 MET 265 HB3 0.01 -0.15 0.19 -0.04 2.03 2.04 2olsA1 MET 265 HG2 0.06 0.05 -0.11 -0.04 2.63 2.59 2olsA1 MET 265 HG3 0.02 0.04 -0.16 -0.04 2.56 2.42 2olsA1 MET 265 HE3 -0.02 0.02 -0.15 -0.04 2.10 1.92 2olsA1 ILE 266 H 0.06 0.65 0.41 -0.55 8.25 8.82 2olsA1 ILE 266 HA 0.01 0.05 0.87 -0.75 4.18 4.35 2olsA1 ILE 266 HB 0.00 -0.06 0.13 -0.04 1.89 1.92 2olsA1 ILE 266 HG12 0.03 0.06 -0.04 -0.04 1.49 1.49 2olsA1 ILE 266 HG13 0.06 -0.02 -0.23 -0.04 1.21 0.98 2olsA1 ILE 266 HG23 -0.01 0.06 -0.23 -0.04 0.93 0.71 2olsA1 ILE 266 HD13 0.02 0.00 -0.06 -0.04 0.88 0.80 2olsA1 PHE 267 H 0.09 0.08 0.15 -0.55 8.34 8.11 2olsA1 PHE 267 HA 0.00 0.22 0.79 -0.75 4.62 4.88 2olsA1 PHE 267 HB2 0.00 -0.06 0.08 -0.04 3.15 3.13 2olsA1 PHE 267 HB3 0.01 0.20 0.04 -0.04 3.06 3.26 2olsA1 PHE 267 HD2 0.00 0.02 -0.18 -0.04 7.28 7.08 2olsA1 PHE 267 HE2 -0.00 -0.02 -0.07 -0.04 7.38 7.25 2olsA1 PHE 267 HZ -0.01 -0.01 -0.09 -0.04 7.32 7.17 2olsA1 THR 268 H 0.05 0.63 0.17 -0.55 8.28 8.58 2olsA1 THR 268 HA 0.06 0.16 0.74 -0.75 4.39 4.60 2olsA1 THR 268 HB 0.02 -0.08 0.09 -0.04 4.32 4.31 2olsA1 THR 268 HG23 0.03 0.02 -0.29 -0.04 1.22 0.94 2olsA1 ASP 269 H 0.03 0.19 0.08 -0.55 8.40 8.16 2olsA1 ASP 269 HA 0.03 0.16 0.66 -0.75 4.63 4.73 2olsA1 ASP 269 HB2 0.02 0.00 0.02 -0.04 2.71 2.71 2olsA1 ASP 269 HB3 0.02 0.02 0.15 -0.04 2.70 2.85 2olsA1 LYS 270 H 0.01 0.06 -0.60 -0.55 8.42 7.34 2olsA1 LYS 270 HA -0.00 0.17 0.39 -0.75 4.32 4.12 2olsA1 ALA 271 H -0.02 0.27 -0.10 -0.55 8.40 8.01 2olsA1 ALA 271 HA -0.03 0.11 0.20 -0.75 4.34 3.86 2olsA1 ALA 271 HB3 -0.06 0.04 0.01 -0.04 1.41 1.37 2olsA1 GLU 272 H -0.03 0.22 0.05 -0.55 8.60 8.29 2olsA1 GLU 272 HA -0.04 0.13 0.46 -0.75 4.29 4.09 2olsA1 GLU 272 HB2 -0.03 -0.15 0.14 -0.04 2.09 2.01 2olsA1 GLU 272 HB3 -0.03 0.06 0.05 -0.04 1.99 2.03 2olsA1 GLU 272 HG2 -0.02 0.08 0.07 -0.04 2.34 2.43 2olsA1 GLU 272 HG3 -0.02 0.03 0.03 -0.04 2.34 2.34 2olsA1 ALA 273 H -0.04 -0.18 0.05 -0.55 8.40 7.69 2olsA1 ALA 273 HA -0.10 0.22 0.54 -0.75 4.34 4.25 2olsA1 ALA 273 HB3 -0.11 0.02 0.03 -0.04 1.41 1.31 2olsA1 GLY 274 H -0.02 0.17 0.18 -0.55 8.43 8.21 2olsA1 GLY 274 HA2 0.13 0.20 0.81 -0.51 4.01 4.65 2olsA1 GLY 274 HA3 0.08 0.12 0.39 -0.51 4.01 4.09 2olsA1 LYS 275 H -0.01 -0.19 0.02 -0.55 8.42 7.68 2olsA1 LYS 275 HA -0.01 0.32 0.76 -0.75 4.32 4.64 2olsA1 LYS 275 HB2 -0.02 -0.24 0.22 -0.04 1.87 1.80 2olsA1 LYS 275 HB3 -0.01 0.15 0.25 -0.04 1.79 2.14 2olsA1 LYS 275 HG2 -0.01 -0.08 0.01 -0.04 1.46 1.34 2olsA1 LYS 275 HG3 -0.01 -0.03 0.10 -0.04 1.46 1.47 2olsA1 LYS 275 HD2 -0.01 0.01 0.04 -0.04 1.69 1.69 2olsA1 LYS 275 HD3 -0.01 0.04 0.07 -0.04 1.68 1.74 2olsA1 LYS 275 HE2 -0.01 0.02 0.03 -0.04 2.99 2.99 2olsA1 LYS 275 HE3 -0.01 0.07 0.07 -0.04 2.99 3.09 2olsA1 SER 276 H -0.02 0.10 -0.57 -0.55 8.46 7.43 2olsA1 SER 276 HA -0.05 -0.00 0.42 -0.75 4.49 4.10 2olsA1 SER 276 HB2 -0.14 0.17 0.18 -0.04 3.95 4.11 2olsA1 SER 276 HB3 -0.08 -0.09 0.08 -0.04 3.93 3.80 2olsA1 VAL 277 H -0.01 0.23 -0.22 -0.55 8.24 7.69 2olsA1 VAL 277 HA 0.06 0.24 0.81 -0.75 4.13 4.48 2olsA1 VAL 277 HB 0.05 -0.00 0.02 -0.04 2.12 2.15 2olsA1 VAL 277 HG13 0.03 -0.00 -0.30 -0.04 0.97 0.66 2olsA1 VAL 277 HG23 -0.01 -0.02 -0.06 -0.04 0.95 0.82 2olsA1 THR 278 H 0.06 0.52 0.24 -0.55 8.28 8.54 2olsA1 THR 278 HA 0.01 0.11 0.61 -0.75 4.39 4.38 2olsA1 THR 278 HB 0.02 0.04 -0.25 -0.04 4.32 4.08 2olsA1 THR 278 HG23 0.03 0.01 -0.26 -0.04 1.22 0.95 2olsA1 ASN 279 H 0.01 0.16 0.15 -0.55 8.53 8.29 2olsA1 ASN 279 HA 0.02 0.25 0.90 -0.75 4.76 5.18 2olsA1 ASN 279 HB2 0.01 -0.01 0.05 -0.04 2.88 2.89 2olsA1 ASN 279 HB3 0.02 0.04 -0.13 -0.04 2.79 2.67 2olsA1 ASN 279 HD21 -0.00 -0.01 -0.13 -0.04 7.03 6.85 2olsA1 ASN 279 HD22 0.00 0.02 -0.06 -0.04 7.74 7.66 2olsA1 VAL 280 H 0.02 0.43 0.31 -0.55 8.24 8.46 2olsA1 VAL 280 HA 0.01 0.06 0.75 -0.75 4.13 4.19 2olsA1 VAL 280 HB 0.01 0.07 -0.02 -0.04 2.12 2.15 2olsA1 VAL 280 HG13 -0.00 0.00 -0.09 -0.04 0.97 0.84 2olsA1 VAL 280 HG23 0.01 -0.01 -0.21 -0.04 0.95 0.70 2olsA1 ASP 281 H 0.01 0.07 0.16 -0.55 8.40 8.09 2olsA1 ASP 281 HA 0.03 0.17 0.74 -0.75 4.63 4.82 2olsA1 ASP 281 HB2 -0.00 -0.10 0.14 -0.04 2.71 2.71 2olsA1 ASP 281 HB3 0.00 0.13 0.01 -0.04 2.70 2.80 2olsA1 VAL 282 H 0.05 0.66 0.30 -0.55 8.24 8.70 2olsA1 VAL 282 HA -0.03 0.07 0.75 -0.75 4.13 4.16 2olsA1 VAL 282 HB 0.09 0.23 0.11 -0.04 2.12 2.51 2olsA1 VAL 282 HG13 -0.02 0.04 -0.12 -0.04 0.97 0.83 2olsA1 VAL 282 HG23 0.11 -0.07 -0.28 -0.04 0.95 0.67 2olsA1 PRO 283 HA -0.02 0.09 0.48 -0.51 4.44 4.49 2olsA1 PRO 283 HB2 -0.06 -0.13 0.00 -0.04 2.28 2.05 2olsA1 PRO 283 HB3 -0.03 0.00 0.14 -0.04 2.02 2.09 2olsA1 PRO 283 HG2 -0.08 0.04 0.08 -0.04 2.03 2.03 2olsA1 PRO 283 HG3 -0.04 0.07 0.07 -0.04 2.03 2.09 2olsA1 PRO 283 HD2 -0.15 0.06 0.18 -0.04 3.68 3.73 2olsA1 PRO 283 HD3 -0.07 0.27 0.25 -0.04 3.65 4.06 2olsA1 GLU 284 H -0.01 0.08 0.17 -0.55 8.60 8.29 2olsA1 GLU 284 HA 0.02 0.22 0.20 -0.75 4.29 3.98 2olsA1 GLU 284 HB2 0.00 -0.08 0.13 -0.04 2.09 2.11 2olsA1 GLU 284 HB3 0.01 0.06 -0.01 -0.04 1.99 2.01 2olsA1 GLU 284 HG2 0.01 0.02 0.02 -0.04 2.34 2.34 2olsA1 GLU 284 HG3 0.01 -0.02 0.03 -0.04 2.34 2.31 2olsA1 GLU 285 H -0.01 0.00 -0.00 -0.55 8.60 8.05 2olsA1 GLU 285 HA 0.00 0.10 0.52 -0.75 4.29 4.16 2olsA1 GLU 285 HB2 -0.02 -0.07 0.09 -0.04 2.09 2.05 2olsA1 GLU 285 HB3 -0.04 -0.01 0.01 -0.04 1.99 1.91 2olsA1 GLU 285 HG2 -0.01 0.04 -0.06 -0.04 2.34 2.27 2olsA1 GLU 285 HG3 0.00 0.04 -0.00 -0.04 2.34 2.34 2olsA1 ASP 286 H -0.07 0.07 -0.29 -0.55 8.40 7.57 2olsA1 ASP 286 HA 0.05 0.02 0.04 -0.75 4.63 3.99 2olsA1 ASP 286 HB2 -0.34 0.13 -0.04 -0.04 2.71 2.41 2olsA1 ASP 286 HB3 -0.98 0.02 -0.02 -0.04 2.70 1.68 2olsA1 ARG 287 H 0.04 0.19 -0.44 -0.55 8.46 7.69 2olsA1 ARG 287 HA 0.17 0.07 0.23 -0.75 4.34 4.05 2olsA1 ARG 287 HB2 0.05 -0.11 0.10 -0.04 1.90 1.89 2olsA1 ARG 287 HB3 0.07 -0.01 -0.04 -0.04 1.80 1.78 2olsA1 ARG 287 HG2 0.13 0.24 0.04 -0.04 1.67 2.04 2olsA1 ARG 287 HG3 0.08 0.04 -0.09 -0.04 1.67 1.66 2olsA1 ARG 287 HD2 0.08 -0.16 -0.03 -0.04 3.22 3.08 2olsA1 ARG 287 HD3 0.19 0.05 -0.00 -0.04 3.22 3.42 2olsA1 ASN 288 H 0.03 0.35 -0.14 -0.55 8.53 8.22 2olsA1 ASN 288 HA -0.03 0.19 0.67 -0.75 4.76 4.83 2olsA1 ASN 288 HB2 0.00 -0.01 0.09 -0.04 2.88 2.92 2olsA1 ASN 288 HB3 -0.02 -0.03 0.18 -0.04 2.79 2.88 2olsA1 ASN 288 HD21 0.02 -0.12 0.02 -0.04 7.03 6.91 2olsA1 ASN 288 HD22 0.01 -0.00 0.04 -0.04 7.74 7.75 2olsA1 ARG 289 H 0.06 0.28 -0.52 -0.55 8.46 7.73 2olsA1 ARG 289 HA -0.05 0.03 0.83 -0.75 4.34 4.40 2olsA1 ARG 289 HB2 0.12 0.02 -0.03 -0.04 1.90 1.97 2olsA1 ARG 289 HB3 0.16 0.12 -0.21 -0.04 1.80 1.84 2olsA1 ARG 289 HG2 0.08 -0.04 -0.05 -0.04 1.67 1.63 2olsA1 ARG 289 HG3 0.05 -0.06 0.08 -0.04 1.67 1.70 2olsA1 ARG 289 HD2 0.03 -0.05 -0.07 -0.04 3.22 3.09 2olsA1 ARG 289 HD3 0.03 0.21 -0.17 -0.04 3.22 3.25 2olsA1 PHE 290 H 0.07 0.06 0.09 -0.55 8.34 8.02 2olsA1 PHE 290 HA 0.10 0.12 0.76 -0.75 4.62 4.85 2olsA1 PHE 290 HB2 0.04 -0.02 0.11 -0.04 3.15 3.23 2olsA1 PHE 290 HB3 0.17 -0.00 0.03 -0.04 3.06 3.22 2olsA1 PHE 290 HD2 0.07 -0.02 0.07 -0.04 7.28 7.36 2olsA1 PHE 290 HE2 -0.16 0.04 -0.29 -0.04 7.38 6.93 2olsA1 PHE 290 HZ 0.24 0.06 -0.16 -0.04 7.32 7.42 2olsA1 SER 291 H 0.21 0.10 0.11 -0.55 8.46 8.32 2olsA1 SER 291 HA 0.02 0.14 0.14 -0.75 4.49 4.04 2olsA1 SER 291 HB2 -0.46 -0.01 -0.18 -0.04 3.95 3.25 2olsA1 SER 291 HB3 -0.92 0.09 -0.05 -0.04 3.93 3.01 2olsA1 ILE 292 H 0.16 0.10 -0.13 -0.55 8.25 7.83 2olsA1 ILE 292 HA 0.05 0.18 0.58 -0.75 4.18 4.24 2olsA1 ILE 292 HB -0.11 -0.08 -0.02 -0.04 1.89 1.64 2olsA1 ILE 292 HG12 0.19 -0.06 -0.15 -0.04 1.49 1.43 2olsA1 ILE 292 HG13 -0.32 0.02 -0.27 -0.04 1.21 0.61 2olsA1 ILE 292 HG23 0.19 0.01 -0.23 -0.04 0.93 0.87 2olsA1 ILE 292 HD13 -0.18 0.01 -0.26 -0.04 0.88 0.41 2olsA1 THR 293 H -0.07 0.09 0.07 -0.55 8.28 7.83 2olsA1 THR 293 HA -0.10 0.25 0.57 -0.75 4.39 4.36 2olsA1 THR 293 HB -0.07 -0.04 0.11 -0.04 4.32 4.28 2olsA1 THR 293 HG23 -0.00 0.06 -0.03 -0.04 1.22 1.20 2olsA1 ASP 294 H -0.15 0.22 0.14 -0.55 8.40 8.06 2olsA1 ASP 294 HA -0.28 0.11 0.38 -0.75 4.63 4.08 2olsA1 ASP 294 HB2 -0.11 -0.03 0.14 -0.04 2.71 2.67 2olsA1 ASP 294 HB3 -0.12 0.06 -0.02 -0.04 2.70 2.58 2olsA1 GLU 295 H -0.10 0.09 -0.12 -0.55 8.60 7.93 2olsA1 GLU 295 HA -0.09 0.13 0.38 -0.75 4.29 3.96 2olsA1 GLU 295 HB2 -0.07 -0.05 0.02 -0.04 2.09 1.95 2olsA1 GLU 295 HB3 -0.06 0.09 0.00 -0.04 1.99 1.98 2olsA1 GLU 295 HG2 -0.04 0.07 0.01 -0.04 2.34 2.34 2olsA1 GLU 295 HG3 -0.05 0.07 0.02 -0.04 2.34 2.33 2olsA1 GLU 296 H -0.13 0.02 -0.40 -0.55 8.60 7.54 2olsA1 GLU 296 HA -0.15 0.09 0.46 -0.75 4.29 3.93 2olsA1 GLU 296 HB2 -0.16 -0.01 0.10 -0.04 2.09 1.98 2olsA1 GLU 296 HB3 -0.20 0.04 -0.08 -0.04 1.99 1.70 2olsA1 GLU 296 HG2 -0.06 0.08 -0.02 -0.04 2.34 2.30 2olsA1 GLU 296 HG3 -0.07 -0.07 -0.03 -0.04 2.34 2.13 2olsA1 ILE 297 H -0.31 0.59 -0.06 -0.55 8.25 7.92 2olsA1 ILE 297 HA -0.37 0.02 0.30 -0.75 4.18 3.38 2olsA1 ILE 297 HB -0.34 0.08 0.04 -0.04 1.89 1.64 2olsA1 ILE 297 HG12 -0.87 -0.01 -0.13 -0.04 1.49 0.43 2olsA1 ILE 297 HG13 -0.59 0.14 -0.17 -0.04 1.21 0.54 2olsA1 ILE 297 HG23 -0.24 -0.00 -0.21 -0.04 0.93 0.44 2olsA1 ILE 297 HD13 -1.28 -0.01 -0.15 -0.04 0.88 -0.60 2olsA1 THR 298 H -0.20 0.48 -0.42 -0.55 8.28 7.59 2olsA1 THR 298 HA -0.20 0.02 0.31 -0.75 4.39 3.76 2olsA1 THR 298 HB -0.10 0.12 0.09 -0.04 4.32 4.39 2olsA1 THR 298 HG23 -0.05 0.01 -0.11 -0.04 1.22 1.02 2olsA1 GLU 299 H -0.17 0.46 -0.06 -0.55 8.60 8.28 2olsA1 GLU 299 HA -0.16 0.06 0.40 -0.75 4.29 3.84 2olsA1 GLU 299 HB2 -0.14 0.13 0.15 -0.04 2.09 2.18 2olsA1 GLU 299 HB3 -0.19 -0.01 0.09 -0.04 1.99 1.84 2olsA1 GLU 299 HG2 -0.53 -0.00 -0.05 -0.04 2.34 1.71 2olsA1 GLU 299 HG3 -0.21 0.02 0.03 -0.04 2.34 2.14 2olsA1 LEU 300 H -0.29 0.62 -0.22 -0.55 8.37 7.94 2olsA1 LEU 300 HA -0.08 0.01 0.41 -0.75 4.35 3.94 2olsA1 LEU 300 HB2 -0.40 0.16 0.03 -0.04 1.64 1.39 2olsA1 LEU 300 HB3 -0.41 -0.04 -0.16 -0.04 1.64 0.99 2olsA1 LEU 300 HG -0.44 0.02 -0.09 -0.04 1.64 1.09 2olsA1 LEU 300 HD13 -1.50 -0.02 -0.23 -0.04 0.93 -0.87 2olsA1 LEU 300 HD23 -0.36 -0.02 -0.14 -0.04 0.89 0.33 2olsA1 ALA 301 H -0.24 0.48 -0.25 -0.55 8.40 7.83 2olsA1 ALA 301 HA -0.12 -0.02 0.31 -0.75 4.34 3.76 2olsA1 ALA 301 HB3 -0.20 0.04 0.03 -0.04 1.41 1.23 2olsA1 HIS 302 H -0.28 0.49 -0.26 -0.55 8.41 7.82 2olsA1 HIS 302 HA -0.11 0.03 0.41 -0.75 4.63 4.20 2olsA1 HIS 302 HB2 -0.38 0.17 0.13 -0.04 3.26 3.14 2olsA1 HIS 302 HB3 -0.21 -0.01 -0.04 -0.04 3.20 2.89 2olsA1 HIS 302 HD2 -0.09 -0.03 -0.04 -0.04 6.97 6.77 2olsA1 HIS 302 HE1 -0.10 -0.04 -0.06 -0.04 7.75 7.50 2olsA1 TYR 303 H -0.26 0.39 -0.23 -0.55 8.29 7.64 2olsA1 TYR 303 HA 0.00 0.06 0.42 -0.75 4.56 4.28 2olsA1 TYR 303 HB2 -0.05 0.11 0.08 -0.04 3.06 3.16 2olsA1 TYR 303 HB3 -0.01 -0.09 -0.06 -0.04 2.98 2.77 2olsA1 TYR 303 HD2 -0.06 -0.05 -0.11 -0.04 7.15 6.89 2olsA1 TYR 303 HE2 -0.08 -0.04 -0.12 -0.04 6.85 6.58 2olsA1 ALA 304 H 0.03 0.55 -0.21 -0.55 8.40 8.22 2olsA1 ALA 304 HA 0.06 -0.04 0.29 -0.75 4.34 3.90 2olsA1 ALA 304 HB3 -0.00 0.04 0.01 -0.04 1.41 1.41 2olsA1 LEU 305 H 0.01 0.46 -0.30 -0.55 8.37 8.00 2olsA1 LEU 305 HA 0.02 0.03 0.39 -0.75 4.35 4.03 2olsA1 LEU 305 HB2 0.01 0.11 0.08 -0.04 1.64 1.80 2olsA1 LEU 305 HB3 -0.00 -0.03 -0.02 -0.04 1.64 1.54 2olsA1 LEU 305 HG -0.08 0.20 -0.04 -0.04 1.64 1.68 2olsA1 LEU 305 HD13 -0.08 -0.01 -0.08 -0.04 0.93 0.72 2olsA1 LEU 305 HD23 -0.04 -0.03 -0.11 -0.04 0.89 0.66 2olsA1 THR 306 H 0.07 0.54 -0.05 -0.55 8.28 8.30 2olsA1 THR 306 HA 0.06 0.04 0.59 -0.75 4.39 4.32 2olsA1 THR 306 HB 0.05 -0.04 0.13 -0.04 4.32 4.42 2olsA1 THR 306 HG23 0.08 0.05 0.12 -0.04 1.22 1.43 2olsA1 ILE 307 H 0.10 0.61 -0.22 -0.55 8.25 8.19 2olsA1 ILE 307 HA 0.16 0.00 0.50 -0.75 4.18 4.09 2olsA1 ILE 307 HB 0.11 0.14 0.07 -0.04 1.89 2.17 2olsA1 ILE 307 HG12 0.11 -0.07 -0.07 -0.04 1.49 1.42 2olsA1 ILE 307 HG13 0.09 0.08 -0.03 -0.04 1.21 1.31 2olsA1 ILE 307 HG23 0.25 -0.03 -0.19 -0.04 0.93 0.93 2olsA1 ILE 307 HD13 0.06 -0.03 -0.18 -0.04 0.88 0.68 2olsA1 GLU 308 H 0.10 0.56 -0.06 -0.55 8.60 8.65 2olsA1 GLU 308 HA 0.15 0.05 0.45 -0.75 4.29 4.18 2olsA1 GLU 308 HB2 0.06 -0.08 0.12 -0.04 2.09 2.14 2olsA1 GLU 308 HB3 0.05 0.05 0.17 -0.04 1.99 2.22 2olsA1 GLU 308 HG2 0.03 0.01 -0.37 -0.04 2.34 1.97 2olsA1 GLU 308 HG3 0.05 0.08 -0.15 -0.04 2.34 2.27 2olsA1 LYS 309 H 0.07 0.73 -0.07 -0.55 8.42 8.60 2olsA1 LYS 309 HA 0.03 0.02 0.50 -0.75 4.32 4.12 2olsA1 LYS 309 HB2 0.03 0.07 0.12 -0.04 1.87 2.05 2olsA1 LYS 309 HB3 0.05 0.04 0.11 -0.04 1.79 1.96 2olsA1 LYS 309 HG2 0.01 -0.01 -0.06 -0.04 1.46 1.37 2olsA1 LYS 309 HG3 0.01 -0.03 0.04 -0.04 1.46 1.44 2olsA1 LYS 309 HD2 0.01 -0.00 -0.02 -0.04 1.69 1.65 2olsA1 LYS 309 HD3 0.03 0.00 -0.03 -0.04 1.68 1.64 2olsA1 LYS 309 HE2 0.01 -0.03 -0.02 -0.04 2.99 2.91 2olsA1 LYS 309 HE3 0.00 -0.01 -0.02 -0.04 2.99 2.92 2olsA1 HIS 310 H 0.15 0.39 -0.33 -0.55 8.41 8.08 2olsA1 HIS 310 HA -0.06 0.02 0.38 -0.75 4.63 4.22 2olsA1 HIS 310 HB2 -0.07 0.05 0.11 -0.04 3.26 3.32 2olsA1 HIS 310 HB3 -0.13 0.08 0.15 -0.04 3.20 3.26 2olsA1 HIS 310 HD2 -1.12 0.00 -0.23 -0.04 6.97 5.57 2olsA1 HIS 310 HE1 -0.11 -0.05 -0.02 -0.04 7.75 7.53 2olsA1 TYR 311 H 0.24 0.53 -0.02 -0.55 8.29 8.49 2olsA1 TYR 311 HA -0.08 0.03 0.57 -0.75 4.56 4.33 2olsA1 TYR 311 HB2 0.04 0.08 0.03 -0.04 3.06 3.17 2olsA1 TYR 311 HB3 0.02 -0.04 -0.01 -0.04 2.98 2.91 2olsA1 TYR 311 HD2 0.07 0.19 -0.00 -0.04 7.15 7.37 2olsA1 TYR 311 HE2 0.06 -0.07 -0.07 -0.04 6.85 6.73 2olsA1 GLY 312 H 0.06 0.41 -0.44 -0.55 8.43 7.92 2olsA1 GLY 312 HA2 0.02 0.03 0.29 -0.51 4.01 3.84 2olsA1 GLY 312 HA3 0.01 -0.01 0.45 -0.51 4.01 3.95 2olsA1 ARG 313 H 0.10 0.21 -0.12 -0.55 8.46 8.09 2olsA1 ARG 313 HA 0.03 0.10 0.35 -0.75 4.34 4.07 2olsA1 ARG 313 HB2 0.03 -0.01 0.14 -0.04 1.90 2.01 2olsA1 ARG 313 HB3 0.04 0.16 0.00 -0.04 1.80 1.96 2olsA1 ARG 313 HG2 0.08 0.14 -0.36 -0.04 1.67 1.49 2olsA1 ARG 313 HG3 0.04 -0.08 -0.26 -0.04 1.67 1.33 2olsA1 ARG 313 HD2 -0.01 -0.10 -0.03 -0.04 3.22 3.03 2olsA1 ARG 313 HD3 0.02 0.01 -0.00 -0.04 3.22 3.21 2olsA1 PRO 314 HA 0.04 0.05 0.60 -0.51 4.44 4.62 2olsA1 PRO 314 HB2 0.04 -0.09 0.02 -0.04 2.28 2.21 2olsA1 PRO 314 HB3 0.05 0.04 -0.03 -0.04 2.02 2.04 2olsA1 PRO 314 HG2 0.03 0.07 0.05 -0.04 2.03 2.13 2olsA1 PRO 314 HG3 0.02 0.11 0.04 -0.04 2.03 2.15 2olsA1 PRO 314 HD2 0.03 0.09 0.21 -0.04 3.68 3.96 2olsA1 PRO 314 HD3 0.02 0.18 0.16 -0.04 3.65 3.97 2olsA1 MET 315 H 0.05 0.10 0.25 -0.55 8.47 8.32 2olsA1 MET 315 HA -0.03 0.22 0.87 -0.75 4.52 4.82 2olsA1 MET 315 HB2 0.01 -0.05 0.01 -0.04 2.15 2.08 2olsA1 MET 315 HB3 -0.06 -0.01 -0.15 -0.04 2.03 1.77 2olsA1 MET 315 HG2 0.03 0.30 -0.20 -0.04 2.63 2.72 2olsA1 MET 315 HG3 0.05 -0.03 -0.29 -0.04 2.56 2.24 2olsA1 MET 315 HE3 -0.55 -0.00 -0.34 -0.04 2.10 1.17 2olsA1 ASP 316 H -0.05 0.99 0.29 -0.55 8.40 9.08 2olsA1 ASP 316 HA -0.34 0.21 0.97 -0.75 4.63 4.72 2olsA1 ASP 316 HB2 0.14 0.00 0.01 -0.04 2.71 2.82 2olsA1 ASP 316 HB3 -0.00 0.15 0.03 -0.04 2.70 2.84 2olsA1 ILE 317 H -0.33 0.69 0.36 -0.55 8.25 8.42 2olsA1 ILE 317 HA -0.07 0.18 1.03 -0.75 4.18 4.56 2olsA1 ILE 317 HB -0.02 -0.04 0.08 -0.04 1.89 1.88 2olsA1 ILE 317 HG12 -0.02 0.01 -0.12 -0.04 1.49 1.32 2olsA1 ILE 317 HG13 -0.06 -0.11 -0.59 -0.04 1.21 0.41 2olsA1 ILE 317 HG23 0.07 0.01 -0.13 -0.04 0.93 0.83 2olsA1 ILE 317 HD13 0.02 0.01 -0.13 -0.04 0.88 0.75 2olsA1 GLU 318 H -0.04 0.57 0.37 -0.55 8.60 8.96 2olsA1 GLU 318 HA -0.10 0.28 1.06 -0.75 4.29 4.77 2olsA1 GLU 318 HB2 -0.06 -0.01 0.22 -0.04 2.09 2.20 2olsA1 GLU 318 HB3 -0.08 -0.10 -0.01 -0.04 1.99 1.76 2olsA1 GLU 318 HG2 -0.14 0.10 0.06 -0.04 2.34 2.31 2olsA1 GLU 318 HG3 -0.09 0.06 -0.05 -0.04 2.34 2.22 2olsA1 TRP 319 H -0.40 0.60 0.44 -0.55 7.97 8.06 2olsA1 TRP 319 HA 0.01 0.13 1.06 -0.75 4.62 5.06 2olsA1 TRP 319 HB2 0.03 0.09 0.08 -0.04 3.23 3.38 2olsA1 TRP 319 HB3 -0.00 0.02 -0.17 -0.04 3.23 3.04 2olsA1 TRP 319 HD1 -0.06 0.04 -0.25 -0.04 7.22 6.91 2olsA1 TRP 319 HE1 -0.05 0.16 -0.28 -0.04 10.20 9.99 2olsA1 TRP 319 HE3 0.04 0.02 -0.42 -0.04 7.59 7.19 2olsA1 TRP 319 HZ2 0.01 0.17 -0.20 -0.04 7.44 7.38 2olsA1 TRP 319 HZ3 0.03 -0.02 -0.29 -0.04 7.13 6.81 2olsA1 TRP 319 HH2 0.01 0.00 -0.26 -0.04 7.19 6.90 2olsA1 GLY 320 H 0.39 0.66 0.37 -0.55 8.43 9.31 2olsA1 GLY 320 HA2 -0.16 0.17 0.99 -0.51 4.01 4.50 2olsA1 GLY 320 HA3 0.04 -0.09 0.32 -0.51 4.01 3.77 2olsA1 ARG 321 H 0.26 0.81 0.34 -0.55 8.46 9.32 2olsA1 ARG 321 HA 0.29 0.28 0.96 -0.75 4.34 5.10 2olsA1 ARG 321 HB2 0.36 -0.01 -0.03 -0.04 1.90 2.18 2olsA1 ARG 321 HB3 0.25 -0.15 0.16 -0.04 1.80 2.02 2olsA1 ARG 321 HG2 0.14 0.01 -0.55 -0.04 1.67 1.23 2olsA1 ARG 321 HG3 0.14 0.13 -0.31 -0.04 1.67 1.59 2olsA1 ARG 321 HD2 0.09 0.09 -0.07 -0.04 3.22 3.28 2olsA1 ARG 321 HD3 0.12 -0.07 -0.06 -0.04 3.22 3.17 2olsA1 ASP 322 H 0.25 0.73 0.08 -0.55 8.40 8.92 2olsA1 ASP 322 HA 0.04 -0.11 0.10 -0.75 4.63 3.91 2olsA1 ASP 322 HB2 0.16 0.17 0.10 -0.04 2.71 3.11 2olsA1 ASP 322 HB3 0.19 -0.11 0.20 -0.04 2.70 2.94 2olsA1 GLY 323 H 0.01 0.64 0.19 -0.55 8.43 8.72 2olsA1 GLY 323 HA2 0.05 0.15 0.33 -0.51 4.01 4.02 2olsA1 GLY 323 HA3 0.01 0.02 -0.00 -0.51 4.01 3.53 2olsA1 LEU 324 H 0.01 -0.10 -0.21 -0.55 8.37 7.52 2olsA1 LEU 324 HA 0.02 0.21 0.69 -0.75 4.35 4.51 2olsA1 LEU 324 HB2 0.01 -0.16 0.15 -0.04 1.64 1.60 2olsA1 LEU 324 HB3 0.02 0.08 0.01 -0.04 1.64 1.72 2olsA1 LEU 324 HG 0.01 0.08 0.02 -0.04 1.64 1.70 2olsA1 LEU 324 HD13 -0.03 0.00 -0.12 -0.04 0.93 0.75 2olsA1 LEU 324 HD23 0.01 -0.00 0.02 -0.04 0.89 0.87 2olsA1 ASP 325 H 0.06 -0.05 0.01 -0.55 8.40 7.87 2olsA1 ASP 325 HA 0.06 0.10 0.39 -0.75 4.63 4.43 2olsA1 ASP 325 HB2 0.18 -0.09 0.17 -0.04 2.71 2.93 2olsA1 ASP 325 HB3 0.13 0.04 0.01 -0.04 2.70 2.84 2olsA1 GLY 326 H 0.08 0.54 -0.23 -0.55 8.43 8.28 2olsA1 GLY 326 HA2 0.07 0.05 0.24 -0.51 4.01 3.87 2olsA1 GLY 326 HA3 0.05 0.14 0.68 -0.51 4.01 4.37 2olsA1 LYS 327 H 0.14 -0.09 -0.16 -0.55 8.42 7.76 2olsA1 LYS 327 HA 0.02 0.15 0.31 -0.75 4.32 4.05 2olsA1 LYS 327 HB2 0.13 -0.12 0.03 -0.04 1.87 1.86 2olsA1 LYS 327 HB3 -0.19 0.14 -0.02 -0.04 1.79 1.67 2olsA1 LYS 327 HG2 -0.01 0.07 -0.07 -0.04 1.46 1.41 2olsA1 LYS 327 HG3 0.04 0.03 -0.23 -0.04 1.46 1.26 2olsA1 LYS 327 HD2 0.08 -0.08 -0.02 -0.04 1.69 1.63 2olsA1 LYS 327 HD3 0.00 0.02 -0.03 -0.04 1.68 1.63 2olsA1 LYS 327 HE2 0.00 0.03 -0.03 -0.04 2.99 2.95 2olsA1 LYS 327 HE3 0.03 0.02 -0.01 -0.04 2.99 2.99 2olsA1 LEU 328 H -0.03 0.19 0.18 -0.55 8.37 8.16 2olsA1 LEU 328 HA 0.20 0.18 0.85 -0.75 4.35 4.83 2olsA1 LEU 328 HB2 0.14 0.03 0.10 -0.04 1.64 1.87 2olsA1 LEU 328 HB3 0.12 0.04 -0.06 -0.04 1.64 1.70 2olsA1 LEU 328 HG 0.05 0.02 -0.02 -0.04 1.64 1.65 2olsA1 LEU 328 HD13 -0.03 -0.01 -0.05 -0.04 0.93 0.81 2olsA1 LEU 328 HD23 0.03 -0.01 -0.14 -0.04 0.89 0.73 2olsA1 TYR 329 H 0.34 0.55 0.42 -0.55 8.29 9.05 2olsA1 TYR 329 HA -0.05 0.28 0.98 -0.75 4.56 5.01 2olsA1 TYR 329 HB2 0.05 -0.14 0.06 -0.04 3.06 2.99 2olsA1 TYR 329 HB3 0.01 0.15 -0.02 -0.04 2.98 3.09 2olsA1 TYR 329 HD2 0.03 0.10 -0.22 -0.04 7.15 7.02 2olsA1 TYR 329 HE2 0.03 -0.05 -0.11 -0.04 6.85 6.68 2olsA1 ILE 330 H 0.01 0.68 0.31 -0.55 8.25 8.70 2olsA1 ILE 330 HA 0.14 0.13 0.99 -0.75 4.18 4.68 2olsA1 ILE 330 HB -0.04 -0.01 0.03 -0.04 1.89 1.83 2olsA1 ILE 330 HG12 0.00 0.03 -0.11 -0.04 1.49 1.37 2olsA1 ILE 330 HG13 0.09 0.04 -0.04 -0.04 1.21 1.25 2olsA1 ILE 330 HG23 0.02 0.02 -0.22 -0.04 0.93 0.71 2olsA1 ILE 330 HD13 -0.13 -0.03 -0.32 -0.04 0.88 0.37 2olsA1 LEU 331 H 0.06 0.65 0.26 -0.55 8.37 8.79 2olsA1 LEU 331 HA 0.01 0.15 0.65 -0.75 4.35 4.41 2olsA1 LEU 331 HB2 -0.02 -0.00 -0.10 -0.04 1.64 1.47 2olsA1 LEU 331 HB3 -0.03 -0.02 -0.11 -0.04 1.64 1.43 2olsA1 LEU 331 HG -0.01 0.00 -0.06 -0.04 1.64 1.53 2olsA1 LEU 331 HD13 0.08 0.02 -0.29 -0.04 0.93 0.70 2olsA1 LEU 331 HD23 -0.07 -0.02 -0.17 -0.04 0.89 0.59 2olsA1 GLN 332 H -0.02 0.33 0.28 -0.55 8.47 8.52 2olsA1 GLN 332 HA -0.07 0.17 0.62 -0.75 4.36 4.33 2olsA1 GLN 332 HB2 -0.06 -0.07 -0.02 -0.04 2.15 1.96 2olsA1 GLN 332 HB3 -0.07 0.05 0.01 -0.04 2.02 1.97 2olsA1 GLN 332 HG2 -0.06 -0.11 -0.48 -0.04 2.40 1.71 2olsA1 GLN 332 HG3 -0.06 -0.03 -0.13 -0.04 2.39 2.13 2olsA1 GLN 332 HE21 -0.09 -0.05 -0.11 -0.04 6.97 6.67 2olsA1 GLN 332 HE22 -0.07 0.01 -0.03 -0.04 7.69 7.56 2olsA1 ALA 333 H -0.07 0.28 0.10 -0.55 8.40 8.16 2olsA1 ALA 333 HA -0.08 0.22 0.75 -0.75 4.34 4.48 2olsA1 ALA 333 HB3 -0.05 0.01 -0.10 -0.04 1.41 1.22 2olsA1 ARG 334 H -0.11 0.74 0.31 -0.55 8.46 8.86 2olsA1 ARG 334 HA -0.20 0.13 0.55 -0.75 4.34 4.07 2olsA1 ARG 334 HB2 -0.06 0.05 0.10 -0.04 1.90 1.95 2olsA1 ARG 334 HB3 -0.07 -0.10 -0.13 -0.04 1.80 1.46 2olsA1 ARG 334 HG2 -0.05 -0.08 -0.07 -0.04 1.67 1.43 2olsA1 ARG 334 HG3 -0.03 0.20 -0.19 -0.04 1.67 1.61 2olsA1 ARG 334 HD2 0.01 0.12 -0.10 -0.04 3.22 3.20 2olsA1 ARG 334 HD3 -0.01 -0.15 -0.11 -0.04 3.22 2.91 2olsA1 PRO 335 HA -0.05 0.27 0.64 -0.51 4.44 4.79 2olsA1 PRO 335 HB2 -0.01 0.03 -0.01 -0.04 2.28 2.24 2olsA1 PRO 335 HB3 -0.01 0.11 0.09 -0.04 2.02 2.17 2olsA1 PRO 335 HG2 -0.03 0.02 0.06 -0.04 2.03 2.04 2olsA1 PRO 335 HG3 -0.08 0.07 0.04 -0.04 2.03 2.03 2olsA1 PRO 335 HD2 -0.07 0.06 0.18 -0.04 3.68 3.81 2olsA1 PRO 335 HD3 -0.20 0.10 0.13 -0.04 3.65 3.63 2olsA1 GLU 336 H 0.02 0.58 0.14 -0.55 8.60 8.79 2olsA1 GLU 336 HA 0.09 0.08 0.40 -0.75 4.29 4.12 2olsA1 GLU 336 HB2 0.09 -0.07 -0.35 -0.04 2.09 1.71 2olsA1 GLU 336 HB3 0.07 0.05 -0.16 -0.04 1.99 1.92 2olsA1 GLU 336 HG2 0.30 -0.02 -0.15 -0.04 2.34 2.43 2olsA1 GLU 336 HG3 0.22 -0.08 -0.13 -0.04 2.34 2.30 2olsA1 THR 337 H 0.02 0.15 -0.28 -0.55 8.28 7.63 2olsA1 THR 337 HA 0.02 0.23 0.37 -0.75 4.39 4.26 2olsA1 THR 337 HB 0.03 -0.03 -0.34 -0.04 4.32 3.94 2olsA1 THR 337 HG23 0.02 -0.00 0.00 -0.04 1.22 1.20 2olsA1 LEU 360 HA 0.01 0.11 0.27 -0.75 4.35 3.99 2olsA1 LEU 360 HB2 0.07 -0.06 0.07 -0.04 1.64 1.68 2olsA1 LEU 360 HB3 0.04 -0.02 -0.07 -0.04 1.64 1.55 2olsA1 LEU 360 HG -0.08 -0.01 -0.03 -0.04 1.64 1.48 2olsA1 LEU 360 HD13 0.16 -0.01 0.00 -0.04 0.93 1.04 2olsA1 LEU 360 HD23 0.09 0.00 -0.05 -0.04 0.89 0.89 2olsA1 CYS 361 H -0.04 0.22 0.19 -0.55 8.50 8.33 2olsA1 CYS 361 HA -0.00 0.01 0.40 -0.75 4.58 4.23 2olsA1 CYS 361 HB2 -0.01 0.18 -0.11 -0.04 2.97 2.99 2olsA1 CYS 361 HB3 -0.03 0.03 -0.13 -0.04 2.97 2.80 2olsA1 GLU 362 H -0.03 0.17 0.14 -0.55 8.60 8.33 2olsA1 GLU 362 HA -0.13 0.31 0.96 -0.75 4.29 4.68 2olsA1 GLU 362 HB2 -0.06 -0.10 -0.04 -0.04 2.09 1.85 2olsA1 GLU 362 HB3 -0.19 0.21 0.05 -0.04 1.99 2.02 2olsA1 GLU 362 HG2 0.10 0.10 -0.24 -0.04 2.34 2.26 2olsA1 GLU 362 HG3 0.04 -0.15 -0.41 -0.04 2.34 1.78 2olsA1 GLY 363 H -0.20 0.61 0.08 -0.55 8.43 8.38 2olsA1 GLY 363 HA2 -0.08 0.08 0.22 -0.51 4.01 3.71 2olsA1 GLY 363 HA3 -0.08 -0.02 0.06 -0.51 4.01 3.45 2olsA1 ARG 364 H -0.07 1.05 0.27 -0.55 8.46 9.16 2olsA1 ARG 364 HA -0.09 0.13 0.81 -0.75 4.34 4.43 2olsA1 ARG 364 HB2 -0.05 -0.04 0.09 -0.04 1.90 1.86 2olsA1 ARG 364 HB3 -0.04 -0.12 0.11 -0.04 1.80 1.71 2olsA1 ARG 364 HG2 -0.04 0.22 -0.09 -0.04 1.67 1.72 2olsA1 ARG 364 HG3 -0.04 -0.02 0.06 -0.04 1.67 1.63 2olsA1 ARG 364 HD2 -0.02 -0.10 -0.09 -0.04 3.22 2.98 2olsA1 ARG 364 HD3 -0.02 0.04 -0.20 -0.04 3.22 3.00 2olsA1 ALA 365 H -0.09 0.57 0.08 -0.55 8.40 8.41 2olsA1 ALA 365 HA -0.05 0.26 0.66 -0.75 4.34 4.46 2olsA1 ALA 365 HB3 -0.06 -0.05 -0.38 -0.04 1.41 0.88 2olsA1 GLN 368 HA 0.02 0.07 0.22 -0.75 4.36 3.91 2olsA1 GLN 368 HB2 0.01 0.00 0.09 -0.04 2.15 2.22 2olsA1 GLN 368 HB3 0.02 -0.07 -0.02 -0.04 2.02 1.91 2olsA1 GLN 368 HG2 0.02 -0.07 0.05 -0.04 2.40 2.36 2olsA1 GLN 368 HG3 0.02 0.05 0.07 -0.04 2.39 2.49 2olsA1 GLN 368 HE21 -0.00 0.04 0.10 -0.04 6.97 7.06 2olsA1 GLN 368 HE22 0.00 -0.02 0.16 -0.04 7.69 7.79 2olsA1 LYS 369 H 0.03 -0.05 -0.05 -0.55 8.42 7.79 2olsA1 LYS 369 HA 0.02 -0.11 0.38 -0.75 4.32 3.86 2olsA1 LYS 369 HB2 0.02 1.31 1.42 -0.04 1.87 4.57 2olsA1 LYS 369 HB3 0.02 0.03 0.04 -0.04 1.79 1.84 2olsA1 LYS 369 HG2 0.01 0.06 0.05 -0.04 1.46 1.55 2olsA1 LYS 369 HG3 0.02 0.00 0.10 -0.04 1.46 1.54 2olsA1 LYS 369 HD2 0.02 -0.13 0.02 -0.04 1.69 1.55 2olsA1 LYS 369 HD3 0.02 -0.03 -0.31 -0.04 1.68 1.31 2olsA1 LYS 369 HE2 0.01 0.00 -0.04 -0.04 2.99 2.92 2olsA1 LYS 369 HE3 0.01 0.06 -0.00 -0.04 2.99 3.02 2olsA1 VAL 370 H 0.03 0.07 0.13 -0.55 8.24 7.93 2olsA1 VAL 370 HA 0.06 0.26 0.56 -0.75 4.13 4.25 2olsA1 VAL 370 HB 0.04 0.03 0.04 -0.04 2.12 2.19 2olsA1 VAL 370 HG13 0.07 -0.00 -0.05 -0.04 0.97 0.95 2olsA1 VAL 370 HG23 0.06 -0.05 -0.02 -0.04 0.95 0.90 2olsA1 GLY 371 H 0.05 0.15 0.10 -0.55 8.43 8.19 2olsA1 GLY 371 HA2 0.03 0.10 0.44 -0.51 4.01 4.07 2olsA1 GLY 371 HA3 0.03 0.23 0.37 -0.51 4.01 4.12 2olsA1 GLN 372 H 0.02 0.42 0.23 -0.55 8.47 8.60 2olsA1 GLN 372 HA 0.04 0.14 0.83 -0.75 4.36 4.61 2olsA1 GLN 372 HB2 0.02 0.01 -0.01 -0.04 2.15 2.13 2olsA1 GLN 372 HB3 0.02 -0.07 0.17 -0.04 2.02 2.11 2olsA1 GLN 372 HG2 0.04 0.10 -0.06 -0.04 2.40 2.44 2olsA1 GLN 372 HG3 0.02 -0.05 -0.39 -0.04 2.39 1.94 2olsA1 GLN 372 HE21 0.01 0.02 -0.01 -0.04 6.97 6.95 2olsA1 GLN 372 HE22 0.02 -0.01 -0.04 -0.04 7.69 7.63 2olsA1 GLY 373 H 0.03 0.21 0.20 -0.55 8.43 8.33 2olsA1 GLY 373 HA2 0.02 -0.03 0.26 -0.51 4.01 3.75 2olsA1 GLY 373 HA3 0.02 0.30 0.79 -0.51 4.01 4.61 2olsA1 LYS 374 H 0.01 0.23 0.18 -0.55 8.42 8.28 2olsA1 LYS 374 HA 0.02 -0.08 0.70 -0.75 4.32 4.20 2olsA1 LYS 374 HB2 0.01 -0.07 0.14 -0.04 1.87 1.91 2olsA1 LYS 374 HB3 0.01 0.01 0.20 -0.04 1.79 1.97 2olsA1 LYS 374 HG2 0.01 0.32 -0.18 -0.04 1.46 1.58 2olsA1 LYS 374 HG3 0.01 -0.06 0.09 -0.04 1.46 1.45 2olsA1 LYS 374 HD2 0.00 -0.08 0.02 -0.04 1.69 1.60 2olsA1 LYS 374 HD3 0.01 -0.02 -0.11 -0.04 1.68 1.51 2olsA1 LYS 374 HE2 0.00 -0.09 0.02 -0.04 2.99 2.88 2olsA1 LYS 374 HE3 0.00 0.26 0.09 -0.04 2.99 3.30 2olsA1 VAL 375 H 0.02 -0.00 0.11 -0.55 8.24 7.82 2olsA1 VAL 375 HA 0.02 0.23 0.52 -0.75 4.13 4.14 2olsA1 VAL 375 HB 0.02 0.12 0.04 -0.04 2.12 2.25 2olsA1 VAL 375 HG13 0.02 -0.05 -0.29 -0.04 0.97 0.60 2olsA1 VAL 375 HG23 0.02 -0.07 -0.11 -0.04 0.95 0.75 2olsA1 ARG 376 H 0.02 0.63 0.22 -0.55 8.46 8.77 2olsA1 ARG 376 HA 0.01 0.26 0.71 -0.75 4.34 4.56 2olsA1 ASP 391 HA 0.01 0.01 0.51 -0.75 4.63 4.41 2olsA1 ASP 391 HB2 0.01 0.01 0.15 -0.04 2.71 2.83 2olsA1 ASP 391 HB3 0.01 0.00 -0.75 -0.04 2.70 1.92 2olsA1 VAL 392 H 0.02 0.29 -0.46 -0.55 8.24 7.54 2olsA1 VAL 392 HA 0.02 0.10 0.58 -0.75 4.13 4.08 2olsA1 VAL 392 HB 0.02 -0.09 -0.33 -0.04 2.12 1.68 2olsA1 VAL 392 HG13 0.02 -0.01 -0.38 -0.04 0.97 0.56 2olsA1 VAL 392 HG23 0.02 -0.00 -0.49 -0.04 0.95 0.44 2olsA1 LEU 393 H 0.03 0.87 0.23 -0.55 8.37 8.95 2olsA1 LEU 393 HA 0.04 0.11 0.66 -0.75 4.35 4.41 2olsA1 LEU 393 HB2 0.05 0.07 0.07 -0.04 1.64 1.79 2olsA1 LEU 393 HB3 0.06 0.05 0.25 -0.04 1.64 1.97 2olsA1 LEU 393 HG 0.14 -0.12 -0.33 -0.04 1.64 1.29 2olsA1 LEU 393 HD13 0.12 -0.01 -0.06 -0.04 0.93 0.93 2olsA1 LEU 393 HD23 0.19 -0.01 -0.13 -0.04 0.89 0.90 2olsA1 VAL 394 H 0.05 0.57 0.15 -0.55 8.24 8.47 2olsA1 VAL 394 HA 0.02 0.32 0.88 -0.75 4.13 4.61 2olsA1 VAL 394 HB 0.03 0.06 0.01 -0.04 2.12 2.18 2olsA1 VAL 394 HG13 0.02 -0.03 -0.35 -0.04 0.97 0.57 2olsA1 VAL 394 HG23 0.01 0.02 -0.31 -0.04 0.95 0.63 2olsA1 THR 395 H 0.01 0.60 0.30 -0.55 8.28 8.63 2olsA1 THR 395 HA 0.05 0.08 0.53 -0.75 4.39 4.29 2olsA1 THR 395 HB 0.25 0.15 -0.48 -0.04 4.32 4.20 2olsA1 THR 395 HG23 -0.17 -0.01 -0.33 -0.04 1.22 0.66 2olsA1 ASP 396 H -0.09 0.15 0.13 -0.55 8.40 8.05 2olsA1 ASP 396 HA -0.08 -0.00 0.52 -0.75 4.63 4.31 2olsA1 ASP 396 HB2 -0.05 0.04 0.17 -0.04 2.71 2.83 2olsA1 ASP 396 HB3 -0.15 -0.04 0.22 -0.04 2.70 2.69 2olsA1 MET 397 H -0.35 0.24 0.15 -0.55 8.47 7.96 2olsA1 MET 397 HA -0.31 0.12 -0.11 -0.75 4.52 3.46 2olsA1 MET 397 HB2 -0.17 0.05 0.15 -0.04 2.15 2.14 2olsA1 MET 397 HB3 -0.23 -0.00 -0.04 -0.04 2.03 1.72 2olsA1 MET 397 HG2 -0.27 -0.17 0.10 -0.04 2.63 2.25 2olsA1 MET 397 HG3 -0.14 0.11 0.01 -0.04 2.56 2.50 2olsA1 MET 397 HE3 -0.17 0.02 -0.16 -0.04 2.10 1.75 2olsA1 THR 398 H -0.49 0.12 0.02 -0.55 8.28 7.39 2olsA1 THR 398 HA -1.53 0.02 0.51 -0.75 4.39 2.64 2olsA1 THR 398 HB -0.69 0.28 -0.05 -0.04 4.32 3.83 2olsA1 THR 398 HG23 -0.08 0.02 -0.08 -0.04 1.22 1.04 2olsA1 ASP 399 H -0.92 0.09 0.16 -0.55 8.40 7.19 2olsA1 ASP 399 HA -0.07 0.16 0.65 -0.75 4.63 4.62 2olsA1 ASP 399 HB2 0.14 0.01 0.13 -0.04 2.71 2.95 2olsA1 ASP 399 HB3 0.17 -0.22 0.15 -0.04 2.70 2.75 2olsA1 PRO 400 HA 0.38 0.24 0.68 -0.51 4.44 5.23 2olsA1 PRO 400 HB2 0.11 -0.00 0.02 -0.04 2.28 2.36 2olsA1 PRO 400 HB3 0.09 0.19 0.11 -0.04 2.02 2.37 2olsA1 PRO 400 HG2 0.11 0.05 0.07 -0.04 2.03 2.22 2olsA1 PRO 400 HG3 0.15 0.15 0.03 -0.04 2.03 2.31 2olsA1 PRO 400 HD2 0.13 0.02 0.22 -0.04 3.68 4.01 2olsA1 PRO 400 HD3 0.17 0.12 0.13 -0.04 3.65 4.02 2olsA1 ASP 401 H 0.19 0.12 -0.05 -0.55 8.40 8.11 2olsA1 ASP 401 HA 0.10 0.13 0.44 -0.75 4.63 4.54 2olsA1 ASP 401 HB2 0.30 -0.05 0.01 -0.04 2.71 2.93 2olsA1 ASP 401 HB3 0.07 0.04 0.09 -0.04 2.70 2.87 2olsA1 TRP 402 H 0.41 0.16 -1.04 -0.55 7.97 6.94 2olsA1 TRP 402 HA -0.03 0.10 0.67 -0.75 4.62 4.60 2olsA1 TRP 402 HB2 -0.17 0.23 0.00 -0.04 3.23 3.25 2olsA1 TRP 402 HB3 -0.10 0.05 0.09 -0.04 3.23 3.22 2olsA1 TRP 402 HD1 -0.05 -0.16 -0.23 -0.04 7.22 6.73 2olsA1 TRP 402 HE1 -0.03 0.01 -0.02 -0.04 10.20 10.11 2olsA1 TRP 402 HE3 -0.07 0.08 -0.10 -0.04 7.59 7.45 2olsA1 TRP 402 HZ2 -0.03 -0.01 -0.00 -0.04 7.44 7.35 2olsA1 TRP 402 HZ3 -0.04 0.08 -0.13 -0.04 7.13 7.00 2olsA1 TRP 402 HH2 -0.03 -0.00 -0.01 -0.04 7.19 7.10 2olsA1 GLU 403 H 0.12 0.31 -0.37 -0.55 8.60 8.11 2olsA1 GLU 403 HA 0.10 0.16 0.74 -0.75 4.29 4.53 2olsA1 GLU 403 HB2 0.07 0.08 0.11 -0.04 2.09 2.32 2olsA1 GLU 403 HB3 0.05 -0.00 0.04 -0.04 1.99 2.04 2olsA1 GLU 403 HG2 0.10 0.02 0.00 -0.04 2.34 2.42 2olsA1 GLU 403 HG3 0.20 -0.09 -0.09 -0.04 2.34 2.32 2olsA1 PRO 404 HA -0.00 0.20 0.74 -0.51 4.44 4.88 2olsA1 PRO 404 HB2 -0.04 0.04 0.05 -0.04 2.28 2.29 2olsA1 PRO 404 HB3 -0.02 0.05 0.10 -0.04 2.02 2.11 2olsA1 PRO 404 HG2 -0.08 0.01 0.14 -0.04 2.03 2.06 2olsA1 PRO 404 HG3 -0.03 0.04 0.09 -0.04 2.03 2.10 2olsA1 PRO 404 HD2 -0.02 0.12 -0.13 -0.04 3.68 3.62 2olsA1 PRO 404 HD3 0.02 0.09 0.04 -0.04 3.65 3.76 2olsA1 VAL 405 H -0.09 0.17 -0.03 -0.55 8.24 7.74 2olsA1 VAL 405 HA -0.06 0.06 0.22 -0.75 4.13 3.60 2olsA1 VAL 405 HB -0.23 0.01 -0.04 -0.04 2.12 1.82 2olsA1 VAL 405 HG13 -0.13 0.02 -0.02 -0.04 0.97 0.81 2olsA1 VAL 405 HG23 -0.19 -0.01 0.04 -0.04 0.95 0.76 2olsA1 MET 406 H 0.02 0.02 -0.85 -0.55 8.47 7.11 2olsA1 MET 406 HA 0.05 0.04 0.39 -0.75 4.52 4.24 2olsA1 MET 406 HB2 0.09 0.43 0.24 -0.04 2.15 2.87 2olsA1 MET 406 HB3 0.06 0.05 -0.11 -0.04 2.03 1.99 2olsA1 MET 406 HG2 0.06 0.04 -0.10 -0.04 2.63 2.59 2olsA1 MET 406 HG3 0.11 -0.10 -0.03 -0.04 2.56 2.49 2olsA1 MET 406 HE3 0.08 -0.08 -0.22 -0.04 2.10 1.83 2olsA1 LYS 407 H 0.01 0.32 -0.27 -0.55 8.42 7.93 2olsA1 LYS 407 HA 0.01 0.08 0.48 -0.75 4.32 4.14 2olsA1 ARG 408 H -0.01 0.15 -0.39 -0.55 8.46 7.65 2olsA1 ARG 408 HA -0.01 0.03 0.43 -0.75 4.34 4.03 2olsA1 ARG 408 HB2 -0.02 -0.09 0.01 -0.04 1.90 1.76 2olsA1 ARG 408 HB3 -0.03 0.12 0.12 -0.04 1.80 1.97 2olsA1 ARG 408 HG2 -0.02 0.05 0.10 -0.04 1.67 1.76 2olsA1 ARG 408 HG3 -0.02 -0.07 0.02 -0.04 1.67 1.56 2olsA1 ARG 408 HD2 -0.03 0.06 0.07 -0.04 3.22 3.27 2olsA1 ARG 408 HD3 -0.03 -0.06 0.03 -0.04 3.22 3.12 2olsA1 ALA 409 H 0.01 0.58 -0.44 -0.55 8.40 7.99 2olsA1 ALA 409 HA 0.01 0.03 0.63 -0.75 4.34 4.24 2olsA1 ALA 409 HB3 0.01 0.06 -0.09 -0.04 1.41 1.36 2olsA1 SER 410 H 0.01 0.83 0.38 -0.55 8.46 9.14 2olsA1 SER 410 HA 0.01 0.16 0.92 -0.75 4.49 4.83 2olsA1 SER 410 HB2 0.01 -0.08 0.17 -0.04 3.95 4.01 2olsA1 SER 410 HB3 0.01 -0.07 -0.12 -0.04 3.93 3.72 2olsA1 ALA 411 H 0.02 0.24 0.27 -0.55 8.40 8.38 2olsA1 ALA 411 HA 0.02 0.19 0.25 -0.75 4.34 4.04 2olsA1 ALA 411 HB3 0.02 0.03 0.12 -0.04 1.41 1.53 2olsA1 ILE 412 H 0.01 0.45 0.01 -0.55 8.25 8.17 2olsA1 ILE 412 HA 0.02 0.21 0.91 -0.75 4.18 4.57 2olsA1 ILE 412 HB 0.01 0.04 -0.14 -0.04 1.89 1.76 2olsA1 ILE 412 HG12 0.05 0.01 0.03 -0.04 1.49 1.54 2olsA1 ILE 412 HG13 0.04 0.11 -0.26 -0.04 1.21 1.05 2olsA1 ILE 412 HG23 -0.01 -0.04 -0.34 -0.04 0.93 0.50 2olsA1 ILE 412 HD13 0.04 -0.03 -0.12 -0.04 0.88 0.72 2olsA1 VAL 413 H 0.01 0.89 0.24 -0.55 8.24 8.83 2olsA1 VAL 413 HA -0.02 0.43 0.92 -0.75 4.13 4.71 2olsA1 VAL 413 HB -0.00 -0.03 -0.23 -0.04 2.12 1.82 2olsA1 VAL 413 HG13 -0.00 -0.02 -0.16 -0.04 0.97 0.75 2olsA1 VAL 413 HG23 -0.03 -0.01 -0.11 -0.04 0.95 0.77 2olsA1 THR 414 H -0.04 0.62 0.34 -0.55 8.28 8.65 2olsA1 THR 414 HA -0.05 0.34 1.21 -0.75 4.39 5.13 2olsA1 THR 414 HB -0.10 0.10 0.07 -0.04 4.32 4.35 2olsA1 THR 414 HG23 -0.11 -0.06 -0.33 -0.04 1.22 0.69 2olsA1 ASN 415 H -0.06 0.36 0.39 -0.55 8.53 8.67 2olsA1 ASN 415 HA -0.04 0.48 0.57 -0.75 4.76 5.01 2olsA1 ASN 415 HB2 -0.06 -0.07 0.30 -0.04 2.88 3.02 2olsA1 ASN 415 HB3 -0.04 0.05 0.05 -0.04 2.79 2.81 2olsA1 ASN 415 HD21 -0.02 -0.11 0.06 -0.04 7.03 6.93 2olsA1 ASN 415 HD22 -0.03 -0.01 0.08 -0.04 7.74 7.74 2olsA1 ARG 416 H -0.07 0.42 0.16 -0.55 8.46 8.41 2olsA1 ARG 416 HA -0.04 0.16 0.70 -0.75 4.34 4.41 2olsA1 ARG 416 HB2 -0.08 0.04 0.07 -0.04 1.90 1.89 2olsA1 ARG 416 HB3 -0.04 -0.08 0.11 -0.04 1.80 1.74 2olsA1 ARG 416 HG2 -0.03 0.01 -0.01 -0.04 1.67 1.59 2olsA1 ARG 416 HG3 -0.05 -0.01 -0.13 -0.04 1.67 1.44 2olsA1 ARG 416 HD2 -0.06 -0.04 -0.07 -0.04 3.22 3.01 2olsA1 ARG 416 HD3 -0.07 -0.02 -0.06 -0.04 3.22 3.03 2olsA1 GLY 417 H -0.03 0.09 0.11 -0.55 8.43 8.05 2olsA1 GLY 417 HA2 -0.01 -0.10 0.32 -0.51 4.01 3.71 2olsA1 GLY 417 HA3 -0.03 0.18 0.57 -0.51 4.01 4.22 2olsA1 GLY 418 H 0.01 -0.02 0.05 -0.55 8.43 7.93 2olsA1 GLY 418 HA2 -0.01 0.33 0.68 -0.51 4.01 4.51 2olsA1 GLY 418 HA3 0.01 -0.03 0.35 -0.51 4.01 3.83 2olsA1 ARG 419 H 0.02 0.15 0.10 -0.55 8.46 8.18 2olsA1 ARG 419 HA 0.01 0.21 0.29 -0.75 4.34 4.09 2olsA1 ARG 419 HB2 0.03 -0.14 0.11 -0.04 1.90 1.85 2olsA1 ARG 419 HB3 0.03 0.12 -0.05 -0.04 1.80 1.86 2olsA1 ARG 419 HG2 0.01 0.16 0.03 -0.04 1.67 1.82 2olsA1 ARG 419 HG3 0.01 -0.06 0.07 -0.04 1.67 1.64 2olsA1 ARG 419 HD2 0.01 0.07 0.00 -0.04 3.22 3.27 2olsA1 ARG 419 HD3 0.02 -0.10 0.01 -0.04 3.22 3.11 2olsA1 THR 420 H 0.06 -0.02 -0.16 -0.55 8.28 7.61 2olsA1 THR 420 HA 0.11 0.31 0.57 -0.75 4.39 4.63 2olsA1 THR 420 HB 0.25 0.01 0.11 -0.04 4.32 4.64 2olsA1 THR 420 HG23 0.09 0.02 -0.07 -0.04 1.22 1.21 2olsA1 CYS 421 H 0.05 0.24 -0.63 -0.55 8.50 7.61 2olsA1 CYS 421 HA 0.06 -0.06 0.44 -0.75 4.58 4.27 2olsA1 CYS 421 HB2 0.01 -0.25 0.12 -0.04 2.97 2.81 2olsA1 CYS 421 HB3 0.01 0.27 -0.03 -0.04 2.97 3.18 2olsA1 HIS 422 H -0.01 0.07 0.08 -0.55 8.41 8.01 2olsA1 HIS 422 HA -0.33 0.14 0.38 -0.75 4.63 4.07 2olsA1 HIS 422 HB2 -0.78 -0.01 0.08 -0.04 3.26 2.52 2olsA1 HIS 422 HB3 -0.29 -0.14 0.15 -0.04 3.20 2.88 2olsA1 HIS 422 HD2 -0.33 -0.12 -0.33 -0.04 6.97 6.14 2olsA1 HIS 422 HE1 -0.05 0.04 -0.18 -0.04 7.75 7.51 2olsA1 ALA 423 H -0.02 0.04 -0.09 -0.55 8.40 7.78 2olsA1 ALA 423 HA 0.13 0.11 0.20 -0.75 4.34 4.03 2olsA1 ALA 423 HB3 -0.07 0.01 -0.06 -0.04 1.41 1.24 2olsA1 ALA 424 H 0.01 -0.03 -0.65 -0.55 8.40 7.18 2olsA1 ALA 424 HA 0.00 0.09 0.33 -0.75 4.34 4.01 2olsA1 ALA 424 HB3 0.01 0.03 -0.02 -0.04 1.41 1.38 2olsA1 ILE 425 H -0.01 0.45 -0.36 -0.55 8.25 7.78 2olsA1 ILE 425 HA -0.02 0.14 0.72 -0.75 4.18 4.27 2olsA1 ILE 425 HB -0.06 0.10 0.04 -0.04 1.89 1.94 2olsA1 ILE 425 HG12 -0.01 -0.01 0.01 -0.04 1.49 1.44 2olsA1 ILE 425 HG13 -0.23 -0.02 -0.01 -0.04 1.21 0.91 2olsA1 ILE 425 HG23 -0.19 0.03 -0.15 -0.04 0.93 0.58 2olsA1 ILE 425 HD13 -0.07 -0.00 0.05 -0.04 0.88 0.81 2olsA1 ILE 426 H -0.01 0.29 -0.01 -0.55 8.25 7.96 2olsA1 ILE 426 HA -0.03 0.06 0.45 -0.75 4.18 3.91 2olsA1 ILE 426 HB 0.06 0.05 0.01 -0.04 1.89 1.97 2olsA1 ILE 426 HG12 -0.04 0.03 -0.02 -0.04 1.49 1.41 2olsA1 ILE 426 HG13 0.07 0.01 -0.08 -0.04 1.21 1.18 2olsA1 ILE 426 HG23 0.03 0.01 -0.12 -0.04 0.93 0.81 2olsA1 ILE 426 HD13 0.17 -0.01 -0.08 -0.04 0.88 0.93 2olsA1 ALA 427 H 0.00 0.14 -0.61 -0.55 8.40 7.39 2olsA1 ALA 427 HA 0.01 0.14 0.44 -0.75 4.34 4.18 2olsA1 ALA 427 HB3 0.01 -0.01 0.01 -0.04 1.41 1.38 2olsA1 ARG 428 H -0.01 0.10 -0.31 -0.55 8.46 7.69 2olsA1 ARG 428 HA 0.00 0.15 0.71 -0.75 4.34 4.45 2olsA1 ARG 428 HB2 -0.01 0.03 0.21 -0.04 1.90 2.08 2olsA1 ARG 428 HB3 -0.00 -0.06 0.01 -0.04 1.80 1.71 2olsA1 ARG 428 HG2 0.00 0.02 0.05 -0.04 1.67 1.70 2olsA1 ARG 428 HG3 0.00 0.34 0.18 -0.04 1.67 2.14 2olsA1 ARG 428 HD2 0.00 -0.07 0.03 -0.04 3.22 3.14 2olsA1 ARG 428 HD3 0.00 -0.01 0.02 -0.04 3.22 3.20 2olsA1 GLU 429 H -0.02 0.43 -0.17 -0.55 8.60 8.30 2olsA1 GLU 429 HA -0.01 0.11 0.49 -0.75 4.29 4.13 2olsA1 GLU 429 HB2 -0.02 -0.06 0.06 -0.04 2.09 2.03 2olsA1 GLU 429 HB3 -0.03 -0.01 0.04 -0.04 1.99 1.95 2olsA1 GLU 429 HG2 -0.03 0.11 0.14 -0.04 2.34 2.52 2olsA1 GLU 429 HG3 -0.02 -0.02 0.06 -0.04 2.34 2.32 2olsA1 PRO 433 HA 0.01 -0.13 0.17 -0.51 4.44 3.97 2olsA1 PRO 433 HB2 0.01 -0.07 0.07 -0.04 2.28 2.24 2olsA1 PRO 433 HB3 0.01 0.13 0.08 -0.04 2.02 2.19 2olsA1 PRO 433 HG2 0.01 -0.05 -0.21 -0.04 2.03 1.74 2olsA1 PRO 433 HG3 0.01 0.15 0.08 -0.04 2.03 2.23 2olsA1 PRO 433 HD2 0.02 -0.02 0.02 -0.04 3.68 3.66 2olsA1 PRO 433 HD3 0.01 0.01 0.10 -0.04 3.65 3.73 2olsA1 ALA 434 H 0.00 0.23 -0.21 -0.55 8.40 7.87 2olsA1 ALA 434 HA -0.00 0.17 -0.17 -0.75 4.34 3.58 2olsA1 ALA 434 HB3 -0.00 0.01 0.01 -0.04 1.41 1.39 2olsA1 VAL 435 H -0.02 0.51 0.19 -0.55 8.24 8.38 2olsA1 VAL 435 HA -0.04 0.58 1.09 -0.75 4.13 5.00 2olsA1 VAL 435 HB -0.04 -0.11 0.02 -0.04 2.12 1.95 2olsA1 VAL 435 HG13 -0.08 -0.02 -0.36 -0.04 0.97 0.47 2olsA1 VAL 435 HG23 -0.05 0.02 -0.29 -0.04 0.95 0.59 2olsA1 VAL 436 H -0.04 0.52 0.18 -0.55 8.24 8.35 2olsA1 VAL 436 HA -0.04 0.08 0.88 -0.75 4.13 4.29 2olsA1 VAL 436 HB -0.03 0.04 0.02 -0.04 2.12 2.09 2olsA1 VAL 436 HG13 -0.03 -0.03 -0.26 -0.04 0.97 0.61 2olsA1 VAL 436 HG23 -0.02 0.08 -0.25 -0.04 0.95 0.72 2olsA1 GLY 437 H -0.04 0.32 -0.18 -0.55 8.43 7.99 2olsA1 GLY 437 HA2 -0.03 -0.04 0.21 -0.51 4.01 3.63 2olsA1 GLY 437 HA3 -0.04 0.06 0.40 -0.51 4.01 3.92 2olsA1 CYS 438 H -0.04 0.42 0.01 -0.55 8.50 8.34 2olsA1 CYS 438 HA -0.04 0.18 0.87 -0.75 4.58 4.84 2olsA1 CYS 438 HB2 -0.03 -0.22 -0.03 -0.04 2.97 2.65 2olsA1 CYS 438 HB3 -0.03 0.01 0.01 -0.04 2.97 2.91 2olsA1 GLY 439 H -0.02 0.22 0.05 -0.55 8.43 8.13 2olsA1 GLY 439 HA2 -0.02 0.05 0.28 -0.51 4.01 3.81 2olsA1 GLY 439 HA3 -0.02 -0.01 0.33 -0.51 4.01 3.80 2olsA1 ASN 440 H -0.02 0.13 -0.48 -0.55 8.53 7.61 2olsA1 ASN 440 HA -0.01 0.12 0.91 -0.75 4.76 5.02 2olsA1 ASN 440 HB2 -0.00 -0.05 0.08 -0.04 2.88 2.86 2olsA1 ASN 440 HB3 -0.01 0.06 -0.21 -0.04 2.79 2.59 2olsA1 ASN 440 HD21 -0.00 0.06 0.04 -0.04 7.03 7.08 2olsA1 ASN 440 HD22 -0.00 0.00 0.02 -0.04 7.74 7.72 2olsA1 ALA 441 H -0.01 0.22 0.04 -0.55 8.40 8.10 2olsA1 ALA 441 HA -0.01 0.15 0.87 -0.75 4.34 4.60 2olsA1 ALA 441 HB3 -0.01 0.05 -0.11 -0.04 1.41 1.29 2olsA1 THR 442 H -0.01 0.04 0.01 -0.55 8.28 7.78 2olsA1 THR 442 HA 0.01 0.16 0.43 -0.75 4.39 4.24 2olsA1 THR 442 HB -0.00 -0.10 0.06 -0.04 4.32 4.24 2olsA1 THR 442 HG23 0.01 0.01 -0.25 -0.04 1.22 0.95 2olsA1 GLU 443 H -0.00 -0.14 -0.63 -0.55 8.60 7.29 2olsA1 GLU 443 HA 0.00 0.12 0.48 -0.75 4.29 4.14 2olsA1 GLU 443 HB2 0.00 0.03 0.04 -0.04 2.09 2.12 2olsA1 GLU 443 HB3 0.00 0.01 -0.04 -0.04 1.99 1.93 2olsA1 GLU 443 HG2 -0.00 -0.12 -0.03 -0.04 2.34 2.15 2olsA1 GLU 443 HG3 -0.00 0.01 -0.02 -0.04 2.34 2.29 2olsA1 LEU 444 H 0.00 0.29 -0.02 -0.55 8.37 8.09 2olsA1 LEU 444 HA 0.01 -0.05 0.31 -0.75 4.35 3.86 2olsA1 LEU 444 HB2 -0.00 -0.06 0.29 -0.04 1.64 1.82 2olsA1 LEU 444 HB3 0.00 0.14 0.06 -0.04 1.64 1.80 2olsA1 LEU 444 HG -0.00 0.11 0.19 -0.04 1.64 1.90 2olsA1 LEU 444 HD13 0.00 0.01 0.09 -0.04 0.93 0.99 2olsA1 LEU 444 HD23 0.01 -0.03 0.05 -0.04 0.89 0.87 2olsA1 LEU 445 H 0.00 0.34 -0.14 -0.55 8.37 8.03 2olsA1 LEU 445 HA 0.01 0.02 0.51 -0.75 4.35 4.13 2olsA1 LEU 445 HB2 0.01 0.11 -0.07 -0.04 1.64 1.65 2olsA1 LEU 445 HB3 0.01 0.04 -0.12 -0.04 1.64 1.53 2olsA1 LEU 445 HG -0.00 -0.10 -0.10 -0.04 1.64 1.40 2olsA1 LEU 445 HD13 -0.00 -0.01 -0.20 -0.04 0.93 0.67 2olsA1 LEU 445 HD23 0.01 0.03 -0.15 -0.04 0.89 0.74 2olsA1 LYS 446 H 0.01 0.10 0.13 -0.55 8.42 8.11 2olsA1 LYS 446 HA 0.01 0.23 0.76 -0.75 4.32 4.56 2olsA1 LYS 446 HB2 0.01 -0.14 0.08 -0.04 1.87 1.78 2olsA1 LYS 446 HB3 0.01 0.12 0.02 -0.04 1.79 1.89 2olsA1 LYS 446 HG2 0.01 0.09 0.06 -0.04 1.46 1.58 2olsA1 LYS 446 HG3 0.01 -0.02 -0.10 -0.04 1.46 1.31 2olsA1 LYS 446 HD2 0.01 0.05 0.01 -0.04 1.69 1.72 2olsA1 LYS 446 HD3 0.01 -0.01 -0.02 -0.04 1.68 1.62 2olsA1 LYS 446 HE2 0.01 -0.14 0.01 -0.04 2.99 2.83 2olsA1 LYS 446 HE3 0.01 -0.11 -0.02 -0.04 2.99 2.84 2olsA1 ASN 447 H 0.01 0.10 0.14 -0.55 8.53 8.23 2olsA1 ASN 447 HA 0.01 0.15 0.22 -0.75 4.76 4.39 2olsA1 ASN 447 HB2 0.01 -0.01 0.13 -0.04 2.88 2.98 2olsA1 ASN 447 HB3 0.01 -0.07 0.06 -0.04 2.79 2.75 2olsA1 ASN 447 HD21 0.00 -0.02 0.05 -0.04 7.03 7.02 2olsA1 ASN 447 HD22 0.01 -0.05 0.03 -0.04 7.74 7.69 2olsA1 GLY 448 H 0.01 -0.08 -0.32 -0.55 8.43 7.49 2olsA1 GLY 448 HA2 0.01 0.02 0.38 -0.51 4.01 3.91 2olsA1 GLY 448 HA3 0.01 -0.13 0.34 -0.51 4.01 3.72 2olsA1 GLN 449 H 0.01 -0.02 -0.02 -0.55 8.47 7.89 2olsA1 GLN 449 HA 0.01 0.07 0.87 -0.75 4.36 4.56 2olsA1 GLN 449 HB2 0.02 -0.01 0.33 -0.04 2.15 2.44 2olsA1 GLN 449 HB3 0.01 -0.03 0.24 -0.04 2.02 2.20 2olsA1 GLN 449 HG2 0.01 0.21 -0.56 -0.04 2.40 2.02 2olsA1 GLN 449 HG3 0.01 -0.07 -0.08 -0.04 2.39 2.21 2olsA1 GLN 449 HE21 0.01 0.00 0.00 -0.04 6.97 6.94 2olsA1 GLN 449 HE22 0.01 -0.02 0.03 -0.04 7.69 7.67 2olsA1 GLU 450 H 0.02 0.12 0.10 -0.55 8.60 8.30 2olsA1 GLU 450 HA 0.02 0.06 0.23 -0.75 4.29 3.85 2olsA1 GLU 450 HB2 0.02 0.01 0.14 -0.04 2.09 2.21 2olsA1 GLU 450 HB3 0.02 -0.06 0.23 -0.04 1.99 2.14 2olsA1 GLU 450 HG2 0.02 -0.06 0.07 -0.04 2.34 2.33 2olsA1 GLU 450 HG3 0.03 0.18 0.11 -0.04 2.34 2.62 2olsA1 VAL 451 H 0.03 0.57 0.14 -0.55 8.24 8.44 2olsA1 VAL 451 HA 0.06 -0.02 0.74 -0.75 4.13 4.16 2olsA1 VAL 451 HB 0.04 0.08 -0.20 -0.04 2.12 1.99 2olsA1 VAL 451 HG13 0.03 -0.10 -0.18 -0.04 0.97 0.68 2olsA1 VAL 451 HG23 0.03 -0.01 -0.27 -0.04 0.95 0.66 2olsA1 THR 452 H 0.10 0.93 0.28 -0.55 8.28 9.04 2olsA1 THR 452 HA 0.06 0.12 0.58 -0.75 4.39 4.39 2olsA1 THR 452 HB 0.08 0.16 0.10 -0.04 4.32 4.62 2olsA1 THR 452 HG23 0.05 -0.04 -0.22 -0.04 1.22 0.97 2olsA1 VAL 453 H 0.06 0.29 -0.08 -0.55 8.24 7.96 2olsA1 VAL 453 HA 0.04 0.11 0.44 -0.75 4.13 3.96 2olsA1 VAL 453 HB 0.03 0.06 -0.02 -0.04 2.12 2.15 2olsA1 VAL 453 HG13 -0.00 0.05 -0.25 -0.04 0.97 0.73 2olsA1 VAL 453 HG23 0.02 -0.02 -0.31 -0.04 0.95 0.59 2olsA1 SER 454 H 0.12 0.11 0.10 -0.55 8.46 8.25 2olsA1 SER 454 HA 0.12 0.04 0.44 -0.75 4.49 4.33 2olsA1 SER 454 HB2 0.29 -0.02 0.06 -0.04 3.95 4.24 2olsA1 SER 454 HB3 0.39 -0.04 0.11 -0.04 3.93 4.35 2olsA1 CYS 455 H 0.08 0.13 0.17 -0.55 8.50 8.33 2olsA1 CYS 455 HA 0.05 0.01 0.38 -0.75 4.58 4.27 2olsA1 CYS 455 HB2 0.03 0.01 0.02 -0.04 2.97 2.99 2olsA1 CYS 455 HB3 0.01 0.00 0.17 -0.04 2.97 3.11 2olsA1 ALA 456 H 0.10 -0.07 -0.00 -0.55 8.40 7.88 2olsA1 ALA 456 HA 0.04 0.30 0.61 -0.75 4.34 4.54 2olsA1 ALA 456 HB3 0.05 -0.00 0.08 -0.04 1.41 1.50 2olsA1 ASP 459 HA -0.03 0.06 -0.10 -0.75 4.63 3.81 2olsA1 ASP 459 HB2 -0.03 0.09 0.19 -0.04 2.71 2.92 2olsA1 ASP 459 HB3 -0.02 0.08 0.10 -0.04 2.70 2.82 2olsA1 THR 460 H -0.10 0.21 0.20 -0.55 8.28 8.04 2olsA1 THR 460 HA -0.21 0.20 0.80 -0.75 4.39 4.42 2olsA1 THR 460 HB -0.31 -0.04 0.08 -0.04 4.32 4.01 2olsA1 THR 460 HG23 -0.56 -0.01 0.08 -0.04 1.22 0.68 2olsA1 GLY 461 H -0.18 0.07 -0.43 -0.55 8.43 7.34 2olsA1 GLY 461 HA2 -0.10 0.29 0.33 -0.51 4.01 4.03 2olsA1 GLY 461 HA3 -0.15 -0.00 -0.14 -0.51 4.01 3.21 2olsA1 PHE 462 H 0.03 -0.01 0.05 -0.55 8.34 7.86 2olsA1 PHE 462 HA -0.18 0.19 0.62 -0.75 4.62 4.50 2olsA1 PHE 462 HB2 -0.37 -0.09 0.09 -0.04 3.15 2.74 2olsA1 PHE 462 HB3 -0.67 -0.09 0.15 -0.04 3.06 2.41 2olsA1 PHE 462 HD2 -0.04 0.00 -0.03 -0.04 7.28 7.16 2olsA1 PHE 462 HE2 0.01 -0.01 -0.06 -0.04 7.38 7.28 2olsA1 PHE 462 HZ 0.02 -0.03 -0.05 -0.04 7.32 7.21 2olsA1 ILE 463 H -0.25 0.18 0.13 -0.55 8.25 7.76 2olsA1 ILE 463 HA -0.12 0.11 0.41 -0.75 4.18 3.83 2olsA1 ILE 463 HB -0.04 0.12 -0.01 -0.04 1.89 1.92 2olsA1 ILE 463 HG12 0.00 0.03 -0.37 -0.04 1.49 1.11 2olsA1 ILE 463 HG13 -0.01 0.00 -0.25 -0.04 1.21 0.91 2olsA1 ILE 463 HG23 -0.06 -0.01 -0.43 -0.04 0.93 0.39 2olsA1 ILE 463 HD13 -0.01 -0.03 -0.19 -0.04 0.88 0.61 2olsA1 TYR 464 H -0.10 0.29 0.18 -0.55 8.29 8.11 2olsA1 TYR 464 HA 0.03 0.17 0.66 -0.75 4.56 4.67 2olsA1 TYR 464 HB2 0.02 -0.03 -0.09 -0.04 3.06 2.91 2olsA1 TYR 464 HB3 0.01 0.08 -0.03 -0.04 2.98 3.00 2olsA1 TYR 464 HD2 0.01 0.12 0.05 -0.04 7.15 7.28 2olsA1 TYR 464 HE2 -0.08 -0.01 0.00 -0.04 6.85 6.72 2olsA1 ALA 465 H 0.07 0.15 0.08 -0.55 8.40 8.15 2olsA1 ALA 465 HA 0.07 0.08 0.30 -0.75 4.34 4.04 2olsA1 ALA 465 HB3 0.15 0.06 0.25 -0.04 1.41 1.83 2olsA1 GLY 466 H 0.08 0.35 0.02 -0.55 8.43 8.33 2olsA1 GLY 466 HA2 0.02 0.07 0.55 -0.51 4.01 4.14 2olsA1 GLY 466 HA3 0.03 -0.03 0.12 -0.51 4.01 3.63 2olsA1 LEU 467 H 0.00 0.17 -0.01 -0.55 8.37 7.99 2olsA1 LEU 467 HA 0.02 0.08 0.12 -0.75 4.35 3.83 2olsA1 LEU 467 HB2 0.03 0.28 0.38 -0.04 1.64 2.29 2olsA1 LEU 467 HB3 0.02 -0.03 -0.07 -0.04 1.64 1.52 2olsA1 LEU 467 HG 0.02 0.00 0.03 -0.04 1.64 1.65 2olsA1 LEU 467 HD13 0.02 -0.00 -0.01 -0.04 0.93 0.90 2olsA1 LEU 467 HD23 0.01 -0.01 -0.01 -0.04 0.89 0.84 2olsA1 MET 480 HA -0.21 -0.07 0.21 -0.75 4.52 3.69 2olsA1 MET 480 HB2 -0.40 -0.03 0.02 -0.04 2.15 1.71 2olsA1 MET 480 HB3 -0.90 0.06 -0.06 -0.04 2.03 1.10 2olsA1 MET 480 HG2 -0.32 -0.02 0.06 -0.04 2.63 2.31 2olsA1 MET 480 HG3 -0.58 0.00 0.05 -0.04 2.56 1.99 2olsA1 MET 480 HE3 -0.22 -0.01 0.09 -0.04 2.10 1.92 2olsA1 PRO 481 HA 0.06 0.05 0.34 -0.51 4.44 4.38 2olsA1 PRO 481 HB2 0.10 0.13 -0.03 -0.04 2.28 2.44 2olsA1 PRO 481 HB3 0.04 -0.02 0.06 -0.04 2.02 2.05 2olsA1 PRO 481 HG2 0.18 0.04 -0.10 -0.04 2.03 2.11 2olsA1 PRO 481 HG3 0.04 -0.01 -0.00 -0.04 2.03 2.02 2olsA1 PRO 481 HD2 -0.27 0.05 0.10 -0.04 3.68 3.52 2olsA1 PRO 481 HD3 -0.08 0.09 0.12 -0.04 3.65 3.73 2olsA1 LYS 482 H 0.10 0.05 0.14 -0.55 8.42 8.15 2olsA1 LYS 482 HA 0.17 0.05 0.43 -0.75 4.32 4.22 2olsA1 LYS 482 HB2 0.06 -0.04 0.14 -0.04 1.87 2.00 2olsA1 LYS 482 HB3 0.05 -0.01 0.10 -0.04 1.79 1.89 2olsA1 LYS 482 HG2 0.03 -0.06 0.01 -0.04 1.46 1.40 2olsA1 LYS 482 HG3 0.02 -0.00 -0.09 -0.04 1.46 1.34 2olsA1 LYS 482 HD2 0.02 0.16 0.10 -0.04 1.69 1.93 2olsA1 LYS 482 HD3 0.07 -0.02 0.06 -0.04 1.68 1.75 2olsA1 LYS 482 HE2 -0.01 0.02 0.01 -0.04 2.99 2.97 2olsA1 LYS 482 HE3 0.02 -0.07 0.00 -0.04 2.99 2.90 2olsA1 ALA 483 H 0.06 0.13 0.20 -0.55 8.40 8.24 2olsA1 ALA 483 HA -0.04 0.17 0.81 -0.75 4.34 4.53 2olsA1 ALA 483 HB3 -0.66 -0.01 0.11 -0.04 1.41 0.80 2olsA1 PRO 484 HA -0.07 0.10 0.53 -0.51 4.44 4.50 2olsA1 PRO 484 HB2 -0.07 0.01 -0.05 -0.04 2.28 2.12 2olsA1 PRO 484 HB3 -0.05 0.01 0.03 -0.04 2.02 1.96 2olsA1 PRO 484 HG2 -0.07 -0.07 -0.03 -0.04 2.03 1.81 2olsA1 PRO 484 HG3 -0.05 0.13 -0.02 -0.04 2.03 2.05 2olsA1 PRO 484 HD2 -0.10 0.01 0.04 -0.04 3.68 3.58 2olsA1 PRO 484 HD3 -0.04 0.27 -0.04 -0.04 3.65 3.80 2olsA1 VAL 485 H -0.17 0.07 -0.14 -0.55 8.24 7.45 2olsA1 VAL 485 HA -0.12 0.30 0.68 -0.75 4.13 4.23 2olsA1 VAL 485 HB -0.12 -0.01 -0.25 -0.04 2.12 1.70 2olsA1 VAL 485 HG13 -0.11 0.03 -0.24 -0.04 0.97 0.60 2olsA1 VAL 485 HG23 -0.16 -0.05 -0.39 -0.04 0.95 0.31 2olsA1 LYS 486 H -0.12 0.56 0.20 -0.55 8.42 8.50 2olsA1 LYS 486 HA -0.28 0.14 0.76 -0.75 4.32 4.19 2olsA1 LYS 486 HB2 -0.05 -0.03 0.21 -0.04 1.87 1.96 2olsA1 LYS 486 HB3 -0.08 -0.03 -0.05 -0.04 1.79 1.59 2olsA1 LYS 486 HG2 -0.09 0.03 -0.00 -0.04 1.46 1.36 2olsA1 LYS 486 HG3 -0.07 0.11 0.07 -0.04 1.46 1.53 2olsA1 LYS 486 HD2 0.02 -0.06 -0.02 -0.04 1.69 1.59 2olsA1 LYS 486 HD3 -0.02 0.01 0.00 -0.04 1.68 1.64 2olsA1 LYS 486 HE2 -0.00 -0.01 -0.00 -0.04 2.99 2.94 2olsA1 LYS 486 HE3 -0.02 0.03 -0.01 -0.04 2.99 2.94 2olsA1 VAL 487 H -0.52 0.26 0.12 -0.55 8.24 7.54 2olsA1 VAL 487 HA -0.14 0.10 0.83 -0.75 4.13 4.16 2olsA1 VAL 487 HB -0.37 0.06 0.19 -0.04 2.12 1.96 2olsA1 VAL 487 HG13 0.05 0.00 -0.05 -0.04 0.97 0.94 2olsA1 VAL 487 HG23 -0.47 0.01 -0.08 -0.04 0.95 0.38 2olsA1 MET 488 H -0.04 0.71 0.40 -0.55 8.47 8.99 2olsA1 MET 488 HA 0.01 0.11 0.78 -0.75 4.52 4.66 2olsA1 MET 488 HB2 0.01 0.02 -0.09 -0.04 2.15 2.05 2olsA1 MET 488 HB3 0.01 -0.16 -0.12 -0.04 2.03 1.71 2olsA1 MET 488 HG2 0.00 0.05 -0.54 -0.04 2.63 2.10 2olsA1 MET 488 HG3 -0.01 -0.02 -0.41 -0.04 2.56 2.08 2olsA1 MET 488 HE3 0.16 -0.01 -0.20 -0.04 2.10 2.01 2olsA1 MET 489 H -0.01 0.69 0.43 -0.55 8.47 9.03 2olsA1 MET 489 HA -0.06 0.25 1.06 -0.75 4.52 5.02 2olsA1 MET 489 HB2 -0.07 -0.03 -0.01 -0.04 2.15 2.00 2olsA1 MET 489 HB3 -0.18 -0.02 0.00 -0.04 2.03 1.79 2olsA1 MET 489 HG2 -0.06 -0.00 -0.11 -0.04 2.63 2.41 2olsA1 MET 489 HG3 -0.00 0.06 -0.07 -0.04 2.56 2.50 2olsA1 MET 489 HE3 0.05 0.06 -0.17 -0.04 2.10 1.99 2olsA1 ASN 490 H -0.09 0.84 0.09 -0.55 8.53 8.82 2olsA1 ASN 490 HA -0.05 0.20 0.83 -0.75 4.76 4.99 2olsA1 ASN 490 HB2 -0.03 0.02 -0.32 -0.04 2.88 2.50 2olsA1 ASN 490 HB3 -0.06 -0.08 -0.30 -0.04 2.79 2.31 2olsA1 ASN 490 HD21 -0.02 -0.04 -0.09 -0.04 7.03 6.83 2olsA1 ASN 490 HD22 -0.02 -0.06 -0.08 -0.04 7.74 7.54 2olsA1 VAL 491 H -0.06 0.72 0.25 -0.55 8.24 8.60 2olsA1 VAL 491 HA -0.12 0.08 0.91 -0.75 4.13 4.24 2olsA1 VAL 491 HB -0.04 0.05 -0.01 -0.04 2.12 2.08 2olsA1 VAL 491 HG13 0.06 -0.00 -0.22 -0.04 0.97 0.76 2olsA1 VAL 491 HG23 -0.20 0.01 -0.30 -0.04 0.95 0.41 2olsA1 GLY 492 H -0.07 0.10 0.17 -0.55 8.43 8.08 2olsA1 GLY 492 HA2 -0.05 0.20 0.93 -0.51 4.01 4.58 2olsA1 GLY 492 HA3 -0.05 -0.04 0.31 -0.51 4.01 3.73 2olsA1 ASN 493 H -0.15 0.06 0.09 -0.55 8.53 7.98 2olsA1 ASN 493 HA -0.88 0.24 0.69 -0.75 4.76 4.06 2olsA1 ASN 493 HB2 -0.62 0.00 0.02 -0.04 2.88 2.24 2olsA1 ASN 493 HB3 -0.29 0.02 0.19 -0.04 2.79 2.66 2olsA1 ASN 493 HD21 -0.20 0.10 -0.06 -0.04 7.03 6.83 2olsA1 ASN 493 HD22 -0.26 0.01 -0.02 -0.04 7.74 7.42 2olsA1 PRO 494 HA -0.24 0.08 0.39 -0.51 4.44 4.16 2olsA1 PRO 494 HB2 -0.17 0.09 0.01 -0.04 2.28 2.17 2olsA1 PRO 494 HB3 -0.14 0.20 0.17 -0.04 2.02 2.21 2olsA1 PRO 494 HG2 -0.03 0.04 0.05 -0.04 2.03 2.05 2olsA1 PRO 494 HG3 -0.03 0.05 0.11 -0.04 2.03 2.12 2olsA1 PRO 494 HD2 -0.29 0.02 0.26 -0.04 3.68 3.63 2olsA1 PRO 494 HD3 -0.13 0.31 0.17 -0.04 3.65 3.95 2olsA1 GLU 495 H -0.30 0.06 -0.38 -0.55 8.60 7.44 2olsA1 GLU 495 HA -0.25 0.17 0.56 -0.75 4.29 4.01 2olsA1 GLU 495 HB2 -0.14 -0.03 -0.03 -0.04 2.09 1.84 2olsA1 GLU 495 HB3 -0.09 0.07 0.06 -0.04 1.99 1.99 2olsA1 GLU 495 HG2 -0.00 0.07 -0.04 -0.04 2.34 2.33 2olsA1 GLU 495 HG3 0.01 -0.09 -0.04 -0.04 2.34 2.18 2olsA1 LEU 496 H -0.31 0.46 -0.31 -0.55 8.37 7.66 2olsA1 LEU 496 HA -0.38 0.20 0.75 -0.75 4.35 4.16 2olsA1 LEU 496 HB2 -0.18 0.05 0.10 -0.04 1.64 1.57 2olsA1 LEU 496 HB3 -0.73 -0.02 0.07 -0.04 1.64 0.92 2olsA1 LEU 496 HG -0.15 0.03 0.01 -0.04 1.64 1.49 2olsA1 LEU 496 HD13 -0.14 0.01 -0.17 -0.04 0.93 0.60 2olsA1 LEU 496 HD23 0.01 -0.03 0.00 -0.04 0.89 0.84 2olsA1 ALA 497 H -0.47 0.36 -0.30 -0.55 8.40 7.44 2olsA1 ALA 497 HA -0.16 0.03 0.13 -0.75 4.34 3.58 2olsA1 ALA 497 HB3 -0.36 0.04 -0.01 -0.04 1.41 1.04 2olsA1 PHE 498 H -0.55 0.13 -0.18 -0.55 8.34 7.19 2olsA1 PHE 498 HA -0.44 0.19 0.47 -0.75 4.62 4.09 2olsA1 PHE 498 HB2 -0.18 -0.02 0.03 -0.04 3.15 2.94 2olsA1 PHE 498 HB3 -0.04 -0.01 0.09 -0.04 3.06 3.06 2olsA1 PHE 498 HD2 -0.29 -0.00 -0.11 -0.04 7.28 6.84 2olsA1 PHE 498 HE2 -0.66 0.06 -0.10 -0.04 7.38 6.65 2olsA1 PHE 498 HZ -0.16 0.00 -0.10 -0.04 7.32 7.03 2olsA1 SER 499 H -0.35 0.11 -0.31 -0.55 8.46 7.36 2olsA1 SER 499 HA -0.11 0.14 0.60 -0.75 4.49 4.37 2olsA1 SER 499 HB2 -0.17 0.01 0.12 -0.04 3.95 3.87 2olsA1 SER 499 HB3 -0.24 -0.05 0.07 -0.04 3.93 3.67 2olsA1 PHE 500 H -0.43 0.29 -0.39 -0.55 8.34 7.26 2olsA1 PHE 500 HA -0.04 0.16 1.02 -0.75 4.62 5.01 2olsA1 PHE 500 HB2 -0.07 0.10 -0.10 -0.04 3.15 3.03 2olsA1 PHE 500 HB3 -0.04 -0.04 0.07 -0.04 3.06 3.01 2olsA1 PHE 500 HD2 -0.07 0.05 -0.13 -0.04 7.28 7.09 2olsA1 PHE 500 HE2 -0.09 -0.09 -0.08 -0.04 7.38 7.08 2olsA1 PHE 500 HZ -0.09 -0.09 0.00 -0.04 7.32 7.10 2olsA1 ALA 501 H -0.12 0.18 -0.07 -0.55 8.40 7.84 2olsA1 ALA 501 HA -0.08 0.12 0.49 -0.75 4.34 4.12 2olsA1 ALA 501 HB3 -0.59 -0.01 0.18 -0.04 1.41 0.94 2olsA1 ASN 502 H -0.01 0.03 -0.53 -0.55 8.53 7.47 2olsA1 ASN 502 HA 0.05 0.08 0.24 -0.75 4.76 4.38 2olsA1 ASN 502 HB2 0.03 0.05 0.06 -0.04 2.88 2.98 2olsA1 ASN 502 HB3 0.04 -0.01 0.02 -0.04 2.79 2.80 2olsA1 ASN 502 HD21 0.17 -0.09 -0.13 -0.04 7.03 6.94 2olsA1 ASN 502 HD22 0.10 0.06 -0.10 -0.04 7.74 7.75 2olsA1 LEU 503 H 0.08 -0.01 -0.20 -0.55 8.37 7.70 2olsA1 LEU 503 HA 0.03 -0.00 0.29 -0.75 4.35 3.91 2olsA1 LEU 503 HB2 0.12 -0.08 0.15 -0.04 1.64 1.80 2olsA1 LEU 503 HB3 0.08 0.04 -0.06 -0.04 1.64 1.66 2olsA1 LEU 503 HG 0.05 0.07 -0.03 -0.04 1.64 1.68 2olsA1 LEU 503 HD13 0.03 -0.01 0.06 -0.04 0.93 0.97 2olsA1 LEU 503 HD23 0.00 0.01 0.06 -0.04 0.89 0.92 2olsA1 PRO 504 HA 0.05 0.18 0.72 -0.51 4.44 4.89 2olsA1 PRO 504 HB2 -0.46 0.01 0.07 -0.04 2.28 1.85 2olsA1 PRO 504 HB3 -0.20 0.08 0.15 -0.04 2.02 2.01 2olsA1 PRO 504 HG2 -0.19 -0.08 0.17 -0.04 2.03 1.88 2olsA1 PRO 504 HG3 -0.28 0.03 0.13 -0.04 2.03 1.87 2olsA1 PRO 504 HD2 -0.02 -0.07 0.21 -0.04 3.68 3.76 2olsA1 PRO 504 HD3 -0.06 0.16 0.19 -0.04 3.65 3.91 2olsA1 SER 505 H 0.17 0.42 0.31 -0.55 8.46 8.82 2olsA1 SER 505 HA 0.38 0.20 0.66 -0.75 4.49 4.98 2olsA1 SER 505 HB2 0.08 -0.10 0.23 -0.04 3.95 4.12 2olsA1 SER 505 HB3 0.13 0.00 -0.25 -0.04 3.93 3.77 2olsA1 GLU 506 H 0.04 0.44 0.25 -0.55 8.60 8.79 2olsA1 GLU 506 HA 0.06 0.23 0.82 -0.75 4.29 4.64 2olsA1 GLU 506 HB2 -0.02 -0.07 -0.15 -0.04 2.09 1.81 2olsA1 GLU 506 HB3 -0.01 -0.00 0.13 -0.04 1.99 2.07 2olsA1 GLU 506 HG2 -0.15 -0.00 -0.02 -0.04 2.34 2.12 2olsA1 GLU 506 HG3 -0.10 -0.05 0.01 -0.04 2.34 2.16 2olsA1 GLY 507 H 0.05 0.10 -0.18 -0.55 8.43 7.85 2olsA1 GLY 507 HA2 0.02 0.10 0.19 -0.51 4.01 3.81 2olsA1 GLY 507 HA3 0.00 0.33 0.75 -0.51 4.01 4.58 2olsA1 ILE 508 H -0.00 0.68 0.22 -0.55 8.25 8.60 2olsA1 ILE 508 HA -0.01 0.06 0.88 -0.75 4.18 4.36 2olsA1 ILE 508 HB -0.01 -0.01 0.13 -0.04 1.89 1.96 2olsA1 ILE 508 HG12 -0.01 -0.04 -0.16 -0.04 1.49 1.25 2olsA1 ILE 508 HG13 0.01 0.02 -0.22 -0.04 1.21 0.98 2olsA1 ILE 508 HG23 -0.03 -0.05 -0.30 -0.04 0.93 0.51 2olsA1 ILE 508 HD13 0.00 0.01 -0.12 -0.04 0.88 0.73 2olsA1 GLY 509 H -0.00 0.38 0.09 -0.55 8.43 8.35 2olsA1 GLY 509 HA2 0.01 0.17 0.52 -0.51 4.01 4.20 2olsA1 GLY 509 HA3 0.04 -0.00 0.10 -0.51 4.01 3.63 2olsA1 LEU 510 H -0.01 0.30 -0.11 -0.55 8.37 8.00 2olsA1 LEU 510 HA -0.00 0.21 0.28 -0.75 4.35 4.09 2olsA1 LEU 510 HB2 0.01 0.09 -0.04 -0.04 1.64 1.65 2olsA1 LEU 510 HB3 -0.01 -0.10 0.09 -0.04 1.64 1.58 2olsA1 LEU 510 HG -0.02 -0.06 -0.21 -0.04 1.64 1.31 2olsA1 LEU 510 HD13 -0.00 0.02 -0.15 -0.04 0.93 0.76 2olsA1 LEU 510 HD23 -0.00 -0.03 -0.09 -0.04 0.89 0.73 2olsA1 ALA 511 H -0.02 0.73 0.05 -0.55 8.40 8.62 2olsA1 ALA 511 HA -0.04 0.27 0.87 -0.75 4.34 4.69 2olsA1 ALA 511 HB3 -0.03 0.01 -0.06 -0.04 1.41 1.29 2olsA1 ARG 512 H -0.04 0.53 0.22 -0.55 8.46 8.62 2olsA1 ARG 512 HA -0.04 0.11 0.56 -0.75 4.34 4.21 2olsA1 ARG 512 HB2 -0.03 -0.04 0.08 -0.04 1.90 1.86 2olsA1 ARG 512 HB3 -0.05 -0.14 0.07 -0.04 1.80 1.64 2olsA1 ARG 512 HG2 -0.03 0.01 -0.15 -0.04 1.67 1.46 2olsA1 ARG 512 HG3 -0.03 0.17 -0.16 -0.04 1.67 1.61 2olsA1 ARG 512 HD2 -0.02 -0.04 -0.06 -0.04 3.22 3.06 2olsA1 ARG 512 HD3 -0.02 0.01 -0.11 -0.04 3.22 3.05 2olsA1 MET 513 H -0.10 0.10 0.19 -0.55 8.47 8.12 2olsA1 MET 513 HA -0.07 0.23 0.51 -0.75 4.52 4.43 2olsA1 MET 513 HB2 -0.08 0.40 0.08 -0.04 2.15 2.51 2olsA1 MET 513 HB3 -0.15 -0.15 0.03 -0.04 2.03 1.73 2olsA1 MET 513 HG2 -0.10 -0.12 0.02 -0.04 2.63 2.39 2olsA1 MET 513 HG3 -0.13 -0.08 0.13 -0.04 2.56 2.44 2olsA1 MET 513 HE3 -0.09 0.01 0.03 -0.04 2.10 2.01 2olsA1 GLU 514 H -0.12 0.12 -0.05 -0.55 8.60 8.01 2olsA1 GLU 514 HA -0.44 0.10 0.13 -0.75 4.29 3.33 2olsA1 GLU 514 HB2 -0.13 0.04 0.04 -0.04 2.09 2.00 2olsA1 GLU 514 HB3 -0.20 0.08 0.01 -0.04 1.99 1.83 2olsA1 GLU 514 HG2 -0.60 0.07 -0.08 -0.04 2.34 1.69 2olsA1 GLU 514 HG3 -1.26 -0.00 -0.06 -0.04 2.34 0.97 2olsA1 PHE 515 H 0.12 0.16 -0.09 -0.55 8.34 7.97 2olsA1 PHE 515 HA 0.00 0.11 0.63 -0.75 4.62 4.61 2olsA1 PHE 515 HB2 -0.02 -0.06 -0.01 -0.04 3.15 3.02 2olsA1 PHE 515 HB3 -0.04 0.28 0.04 -0.04 3.06 3.30 2olsA1 PHE 515 HD2 -0.02 0.02 -0.21 -0.04 7.28 7.03 2olsA1 PHE 515 HE2 -0.01 0.06 -0.06 -0.04 7.38 7.33 2olsA1 PHE 515 HZ -0.01 0.09 -0.05 -0.04 7.32 7.31 2olsA1 ILE 516 H 0.10 0.15 -0.20 -0.55 8.25 7.75 2olsA1 ILE 516 HA 0.08 0.08 0.40 -0.75 4.18 3.99 2olsA1 ILE 516 HB -0.07 0.12 0.14 -0.04 1.89 2.04 2olsA1 ILE 516 HG12 -0.00 0.03 0.10 -0.04 1.49 1.59 2olsA1 ILE 516 HG13 0.05 -0.06 0.10 -0.04 1.21 1.26 2olsA1 ILE 516 HG23 -0.13 0.02 -0.11 -0.04 0.93 0.66 2olsA1 ILE 516 HD13 -0.06 0.02 0.01 -0.04 0.88 0.81 2olsA1 ILE 517 H -0.06 0.22 -0.22 -0.55 8.25 7.63 2olsA1 ILE 517 HA -0.07 0.12 0.41 -0.75 4.18 3.89 2olsA1 ILE 517 HB -0.01 -0.06 0.08 -0.04 1.89 1.87 2olsA1 ILE 517 HG12 -0.13 0.05 -0.00 -0.04 1.49 1.36 2olsA1 ILE 517 HG13 -0.14 0.09 0.03 -0.04 1.21 1.15 2olsA1 ILE 517 HG23 0.24 0.01 -0.13 -0.04 0.93 1.00 2olsA1 ILE 517 HD13 -0.06 -0.04 -0.03 -0.04 0.88 0.72 2olsA1 ASN 518 H 0.07 0.48 -0.01 -0.55 8.53 8.53 2olsA1 ASN 518 HA 0.04 0.03 0.44 -0.75 4.76 4.51 2olsA1 ASN 518 HB2 -0.04 0.07 0.26 -0.04 2.88 3.13 2olsA1 ASN 518 HB3 -0.08 0.03 -0.08 -0.04 2.79 2.62 2olsA1 ASN 518 HD21 0.24 -0.11 -0.02 -0.04 7.03 7.11 2olsA1 ASN 518 HD22 0.14 -0.01 -0.04 -0.04 7.74 7.79 2olsA1 ARG 519 H -0.24 0.47 -0.17 -0.55 8.46 7.97 2olsA1 ARG 519 HA -0.18 0.18 0.52 -0.75 4.34 4.11 2olsA1 ARG 519 HB2 -1.30 0.11 0.13 -0.04 1.90 0.80 2olsA1 ARG 519 HB3 -0.61 0.01 -0.01 -0.04 1.80 1.15 2olsA1 ARG 519 HG2 -0.32 0.04 -0.03 -0.04 1.67 1.33 2olsA1 ARG 519 HG3 -0.31 -0.05 -0.23 -0.04 1.67 1.04 2olsA1 ARG 519 HD2 -1.22 -0.08 0.04 -0.04 3.22 1.92 2olsA1 ARG 519 HD3 -0.85 0.01 -0.02 -0.04 3.22 2.32 2olsA1 GLN 520 H -0.11 0.25 0.05 -0.55 8.47 8.12 2olsA1 GLN 520 HA -0.00 0.20 0.88 -0.75 4.36 4.68 2olsA1 GLN 520 HB2 -0.08 0.11 0.14 -0.04 2.15 2.27 2olsA1 GLN 520 HB3 -0.06 0.02 0.12 -0.04 2.02 2.07 2olsA1 GLN 520 HG2 0.07 0.03 0.00 -0.04 2.40 2.47 2olsA1 GLN 520 HG3 0.09 -0.11 -0.01 -0.04 2.39 2.32 2olsA1 GLN 520 HE21 -0.06 0.06 0.12 -0.04 6.97 7.05 2olsA1 GLN 520 HE22 -0.10 0.03 0.06 -0.04 7.69 7.64 2olsA1 ILE 521 H -0.03 0.08 -0.14 -0.55 8.25 7.61 2olsA1 ILE 521 HA 0.10 0.20 0.75 -0.75 4.18 4.48 2olsA1 ILE 521 HB -0.02 -0.00 0.25 -0.04 1.89 2.09 2olsA1 ILE 521 HG12 -0.47 0.08 -0.12 -0.04 1.49 0.95 2olsA1 ILE 521 HG13 -0.23 0.12 -0.14 -0.04 1.21 0.92 2olsA1 ILE 521 HG23 0.24 -0.07 -0.06 -0.04 0.93 1.00 2olsA1 ILE 521 HD13 -0.62 -0.06 -0.05 -0.04 0.88 0.10 2olsA1 GLY 522 H 0.08 0.75 0.20 -0.55 8.43 8.91 2olsA1 GLY 522 HA2 0.06 0.13 0.40 -0.51 4.01 4.09 2olsA1 GLY 522 HA3 0.08 0.12 0.23 -0.51 4.01 3.93 2olsA1 ILE 523 H 0.22 0.17 -0.28 -0.55 8.25 7.82 2olsA1 ILE 523 HA 0.17 0.05 0.92 -0.75 4.18 4.57 2olsA1 ILE 523 HB 0.26 -0.03 -0.12 -0.04 1.89 1.95 2olsA1 ILE 523 HG12 0.11 -0.06 -0.12 -0.04 1.49 1.37 2olsA1 ILE 523 HG13 0.15 0.07 -0.38 -0.04 1.21 1.00 2olsA1 ILE 523 HG23 0.17 0.03 -0.14 -0.04 0.93 0.95 2olsA1 ILE 523 HD13 0.08 -0.00 -0.05 -0.04 0.88 0.87 2olsA1 HIS 524 H 0.29 0.57 0.06 -0.55 8.41 8.78 2olsA1 HIS 524 HA 0.26 0.10 0.38 -0.75 4.63 4.62 2olsA1 HIS 524 HB2 0.22 0.12 -0.15 -0.04 3.26 3.41 2olsA1 HIS 524 HB3 0.21 -0.10 -0.07 -0.04 3.20 3.20 2olsA1 HIS 524 HD2 0.30 0.23 -0.14 -0.04 6.97 7.32 2olsA1 HIS 524 HE1 0.03 0.04 -0.03 -0.04 7.75 7.75 2olsA1 PRO 525 HA -0.23 0.12 0.30 -0.51 4.44 4.13 2olsA1 PRO 525 HB2 -0.37 0.01 0.03 -0.04 2.28 1.90 2olsA1 PRO 525 HB3 -1.38 0.09 0.12 -0.04 2.02 0.81 2olsA1 PRO 525 HG2 -0.14 0.00 0.05 -0.04 2.03 1.90 2olsA1 PRO 525 HG3 -0.07 0.06 0.06 -0.04 2.03 2.05 2olsA1 PRO 525 HD2 -0.60 0.06 0.19 -0.04 3.68 3.29 2olsA1 PRO 525 HD3 0.10 0.22 0.21 -0.04 3.65 4.15 2olsA1 LYS 526 H 0.45 0.12 -0.35 -0.55 8.42 8.09 2olsA1 LYS 526 HA -0.19 0.08 0.51 -0.75 4.32 3.97 2olsA1 LYS 526 HB2 -0.31 -0.02 0.04 -0.04 1.87 1.54 2olsA1 LYS 526 HB3 -1.61 0.08 -0.09 -0.04 1.79 0.12 2olsA1 LYS 526 HG2 -0.54 0.02 0.01 -0.04 1.46 0.90 2olsA1 LYS 526 HG3 -0.33 -0.05 -0.01 -0.04 1.46 1.03 2olsA1 LYS 526 HD2 -0.76 -0.03 0.03 -0.04 1.69 0.89 2olsA1 LYS 526 HD3 -0.78 0.00 0.00 -0.04 1.68 0.87 2olsA1 LYS 526 HE2 -0.98 0.04 0.07 -0.04 2.99 2.07 2olsA1 LYS 526 HE3 -0.44 -0.04 0.02 -0.04 2.99 2.48 2olsA1 ALA 527 H 0.11 0.15 -0.22 -0.55 8.40 7.90 2olsA1 ALA 527 HA 0.19 0.08 0.43 -0.75 4.34 4.28 2olsA1 ALA 527 HB3 0.21 0.07 0.04 -0.04 1.41 1.70 2olsA1 LEU 528 H 0.09 0.28 -0.38 -0.55 8.37 7.81 2olsA1 LEU 528 HA 0.18 0.08 0.49 -0.75 4.35 4.35 2olsA1 LEU 528 HB2 0.02 0.10 0.01 -0.04 1.64 1.72 2olsA1 LEU 528 HB3 0.09 -0.12 -0.31 -0.04 1.64 1.26 2olsA1 LEU 528 HG 0.15 0.07 -0.18 -0.04 1.64 1.64 2olsA1 LEU 528 HD13 0.24 0.04 -0.07 -0.04 0.93 1.09 2olsA1 LEU 528 HD23 0.15 0.01 -0.06 -0.04 0.89 0.94 2olsA1 LEU 529 H -0.01 0.57 -0.06 -0.55 8.37 8.33 2olsA1 LEU 529 HA 0.02 -0.01 0.41 -0.75 4.35 4.01 2olsA1 LEU 529 HB2 -0.07 0.11 0.24 -0.04 1.64 1.88 2olsA1 LEU 529 HB3 -0.05 0.02 -0.07 -0.04 1.64 1.49 2olsA1 LEU 529 HG -0.04 -0.03 -0.04 -0.04 1.64 1.48 2olsA1 LEU 529 HD13 -0.02 0.00 0.01 -0.04 0.93 0.88 2olsA1 LEU 529 HD23 -0.09 0.02 -0.27 -0.04 0.89 0.51 2olsA1 GLU 530 H 0.04 0.43 -0.52 -0.55 8.60 8.00 2olsA1 GLU 530 HA 0.05 0.12 0.73 -0.75 4.29 4.44 2olsA1 GLU 530 HB2 0.07 0.14 0.06 -0.04 2.09 2.32 2olsA1 GLU 530 HB3 0.05 -0.10 0.13 -0.04 1.99 2.04 2olsA1 GLU 530 HG2 -0.01 0.01 -0.11 -0.04 2.34 2.20 2olsA1 GLU 530 HG3 -0.06 -0.03 -0.16 -0.04 2.34 2.04 2olsA1 PHE 531 H 0.22 0.37 -0.48 -0.55 8.34 7.89 2olsA1 PHE 531 HA 0.04 0.15 0.42 -0.75 4.62 4.47 2olsA1 PHE 531 HB2 0.03 0.14 0.20 -0.04 3.15 3.48 2olsA1 PHE 531 HB3 0.02 -0.07 0.13 -0.04 3.06 3.10 2olsA1 PHE 531 HD2 0.02 -0.00 -0.04 -0.04 7.28 7.22 2olsA1 PHE 531 HE2 0.01 0.03 0.03 -0.04 7.38 7.41 2olsA1 PHE 531 HZ 0.01 0.03 -0.01 -0.04 7.32 7.31 2olsA1 ASP 532 H 0.17 0.11 -0.22 -0.55 8.40 7.92 2olsA1 ASP 532 HA -0.09 0.09 0.30 -0.75 4.63 4.17 2olsA1 ASP 532 HB2 0.07 0.00 0.01 -0.04 2.71 2.74 2olsA1 ASP 532 HB3 0.04 0.02 0.08 -0.04 2.70 2.79 2olsA1 LYS 533 H -0.01 0.51 -0.43 -0.55 8.42 7.94 2olsA1 LYS 533 HA -0.03 0.11 0.68 -0.75 4.32 4.32 2olsA1 LYS 533 HB2 0.01 0.02 -0.01 -0.04 1.87 1.85 2olsA1 LYS 533 HB3 -0.01 -0.06 0.11 -0.04 1.79 1.79 2olsA1 LYS 533 HG2 0.02 -0.11 -0.09 -0.04 1.46 1.23 2olsA1 LYS 533 HG3 0.03 0.04 0.05 -0.04 1.46 1.54 2olsA1 LYS 533 HD2 0.01 -0.01 -0.01 -0.04 1.69 1.64 2olsA1 LYS 533 HD3 0.01 -0.02 -0.00 -0.04 1.68 1.63 2olsA1 LYS 533 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.91 2olsA1 LYS 533 HE3 0.00 -0.00 -0.02 -0.04 2.99 2.93 2olsA1 GLN 534 H -0.14 0.46 -0.07 -0.55 8.47 8.18 2olsA1 GLN 534 HA -0.07 0.03 0.64 -0.75 4.36 4.20 2olsA1 GLN 534 HB2 -0.25 0.29 0.18 -0.04 2.15 2.32 2olsA1 GLN 534 HB3 -0.13 -0.15 0.11 -0.04 2.02 1.81 2olsA1 GLN 534 HG2 -0.03 -0.03 -0.00 -0.04 2.40 2.30 2olsA1 GLN 534 HG3 -0.04 -0.08 0.06 -0.04 2.39 2.29 2olsA1 GLN 534 HE21 0.04 0.53 -0.10 -0.04 6.97 7.40 2olsA1 GLN 534 HE22 -0.10 0.23 0.21 -0.04 7.69 7.99 2olsA1 ASP 535 H -0.06 0.13 0.12 -0.55 8.40 8.03 2olsA1 ASP 535 HA -0.08 0.04 0.37 -0.75 4.63 4.20 2olsA1 ASP 535 HB2 -0.05 -0.04 0.23 -0.04 2.71 2.81 2olsA1 ASP 535 HB3 -0.05 0.14 0.21 -0.04 2.70 2.96 2olsA1 ASP 536 H -0.06 0.22 0.15 -0.55 8.40 8.17 2olsA1 ASP 536 HA -0.07 0.14 0.40 -0.75 4.63 4.35 2olsA1 ASP 536 HB2 -0.03 -0.05 0.16 -0.04 2.71 2.75 2olsA1 ASP 536 HB3 -0.02 0.06 -0.05 -0.04 2.70 2.65 2olsA1 GLU 537 H -0.03 0.08 -0.23 -0.55 8.60 7.88 2olsA1 GLU 537 HA -0.01 0.12 0.40 -0.75 4.29 4.04 2olsA1 GLU 537 HB2 -0.01 0.00 0.09 -0.04 2.09 2.13 2olsA1 GLU 537 HB3 -0.02 -0.02 0.01 -0.04 1.99 1.92 2olsA1 GLU 537 HG2 -0.00 0.01 -0.01 -0.04 2.34 2.30 2olsA1 GLU 537 HG3 -0.00 0.03 0.07 -0.04 2.34 2.40 2olsA1 LEU 538 H -0.04 0.34 -0.39 -0.55 8.37 7.73 2olsA1 LEU 538 HA 0.00 0.11 0.64 -0.75 4.35 4.35 2olsA1 LEU 538 HB2 -0.02 -0.07 0.05 -0.04 1.64 1.57 2olsA1 LEU 538 HB3 -0.05 0.07 0.15 -0.04 1.64 1.76 2olsA1 LEU 538 HG 0.02 0.04 -0.15 -0.04 1.64 1.51 2olsA1 LEU 538 HD13 0.04 -0.01 -0.01 -0.04 0.93 0.90 2olsA1 LEU 538 HD23 0.01 0.00 0.01 -0.04 0.89 0.87 2olsA1 LYS 539 H -0.12 0.74 0.07 -0.55 8.42 8.55 2olsA1 LYS 539 HA -0.17 0.05 0.48 -0.75 4.32 3.92 2olsA1 LYS 539 HB2 -0.11 0.03 -0.00 -0.04 1.87 1.75 2olsA1 LYS 539 HB3 -0.31 -0.01 -0.01 -0.04 1.79 1.42 2olsA1 LYS 539 HG2 -0.42 -0.07 -0.09 -0.04 1.46 0.84 2olsA1 LYS 539 HG3 -0.23 -0.10 -0.49 -0.04 1.46 0.60 2olsA1 LYS 539 HD2 -1.32 -0.09 -0.08 -0.04 1.69 0.16 2olsA1 LYS 539 HD3 -0.66 0.29 -0.03 -0.04 1.68 1.25 2olsA1 LYS 539 HE2 -0.17 -0.01 -0.10 -0.04 2.99 2.68 2olsA1 LYS 539 HE3 -0.14 -0.07 -0.06 -0.04 2.99 2.68 2olsA1 ALA 540 H 0.00 0.38 -0.44 -0.55 8.40 7.80 2olsA1 ALA 540 HA 0.06 0.05 0.43 -0.75 4.34 4.13 2olsA1 ALA 540 HB3 0.02 0.03 0.05 -0.04 1.41 1.47 2olsA1 GLU 541 H 0.03 0.25 -0.17 -0.55 8.60 8.16 2olsA1 GLU 541 HA 0.02 0.06 0.47 -0.75 4.29 4.09 2olsA1 GLU 541 HB2 0.02 0.05 0.18 -0.04 2.09 2.30 2olsA1 GLU 541 HB3 0.03 0.02 0.19 -0.04 1.99 2.19 2olsA1 GLU 541 HG2 0.03 -0.06 0.02 -0.04 2.34 2.29 2olsA1 GLU 541 HG3 0.03 0.03 -0.16 -0.04 2.34 2.20 2olsA1 ILE 542 H 0.09 0.52 -0.10 -0.55 8.25 8.21 2olsA1 ILE 542 HA 0.02 0.06 0.37 -0.75 4.18 3.88 2olsA1 ILE 542 HB 0.31 0.08 0.12 -0.04 1.89 2.36 2olsA1 ILE 542 HG12 0.13 -0.02 -0.07 -0.04 1.49 1.49 2olsA1 ILE 542 HG13 0.10 -0.02 -0.00 -0.04 1.21 1.25 2olsA1 ILE 542 HG23 0.10 -0.00 -0.18 -0.04 0.93 0.81 2olsA1 ILE 542 HD13 0.20 -0.02 -0.16 -0.04 0.88 0.86 2olsA1 THR 543 H 0.14 0.44 -0.19 -0.55 8.28 8.12 2olsA1 THR 543 HA -0.04 0.00 0.28 -0.75 4.39 3.88 2olsA1 THR 543 HB 0.09 0.09 0.15 -0.04 4.32 4.62 2olsA1 THR 543 HG23 0.10 -0.01 0.02 -0.04 1.22 1.29 2olsA1 ARG 544 H 0.02 0.41 -0.25 -0.55 8.46 8.08 2olsA1 ARG 544 HA -0.00 -0.00 0.46 -0.75 4.34 4.04 2olsA1 ARG 544 HB2 0.01 0.13 0.21 -0.04 1.90 2.21 2olsA1 ARG 544 HB3 -0.00 0.14 0.16 -0.04 1.80 2.06 2olsA1 ARG 544 HG2 0.01 0.02 -0.04 -0.04 1.67 1.61 2olsA1 ARG 544 HG3 0.01 -0.04 0.06 -0.04 1.67 1.66 2olsA1 ARG 544 HD2 0.01 -0.01 0.04 -0.04 3.22 3.22 2olsA1 ARG 544 HD3 0.01 -0.05 0.01 -0.04 3.22 3.15 2olsA1 ARG 545 H -0.06 0.40 -0.18 -0.55 8.46 8.07 2olsA1 ARG 545 HA -0.05 0.03 0.34 -0.75 4.34 3.91 2olsA1 ARG 545 HB2 -0.13 0.02 0.18 -0.04 1.90 1.93 2olsA1 ARG 545 HB3 -0.13 0.04 0.06 -0.04 1.80 1.74 2olsA1 ARG 545 HG2 0.01 -0.01 0.03 -0.04 1.67 1.66 2olsA1 ARG 545 HG3 -0.01 0.00 0.07 -0.04 1.67 1.69 2olsA1 ARG 545 HD2 0.02 -0.06 -0.11 -0.04 3.22 3.03 2olsA1 ARG 545 HD3 0.04 0.08 -0.02 -0.04 3.22 3.27 2olsA1 ILE 546 H -0.25 0.43 -0.21 -0.55 8.25 7.67 2olsA1 ILE 546 HA -1.10 0.11 0.50 -0.75 4.18 2.94 2olsA1 ILE 546 HB -0.20 -0.13 0.05 -0.04 1.89 1.57 2olsA1 ILE 546 HG12 -0.14 0.07 -0.08 -0.04 1.49 1.30 2olsA1 ILE 546 HG13 -0.07 0.08 -0.26 -0.04 1.21 0.92 2olsA1 ILE 546 HG23 -0.61 0.04 -0.02 -0.04 0.93 0.30 2olsA1 ILE 546 HD13 -0.12 -0.06 -0.28 -0.04 0.88 0.38 2olsA1 ALA 547 H -0.05 0.33 -0.57 -0.55 8.40 7.56 2olsA1 ALA 547 HA 0.01 -0.09 0.38 -0.75 4.34 3.89 2olsA1 ALA 547 HB3 -0.02 0.09 0.18 -0.04 1.41 1.61 2olsA1 GLY 548 H -0.00 0.10 0.24 -0.55 8.43 8.22 2olsA1 GLY 548 HA2 -0.04 -0.11 0.39 -0.51 4.01 3.75 2olsA1 GLY 548 HA3 -0.23 0.09 0.59 -0.51 4.01 3.95 2olsA1 TYR 549 H 0.24 0.55 -0.02 -0.55 8.29 8.50 2olsA1 TYR 549 HA 0.17 0.07 0.81 -0.75 4.56 4.86 2olsA1 TYR 549 HB2 0.29 0.20 0.03 -0.04 3.06 3.54 2olsA1 TYR 549 HB3 0.23 -0.23 -0.04 -0.04 2.98 2.90 2olsA1 TYR 549 HD2 0.24 0.10 -0.22 -0.04 7.15 7.23 2olsA1 TYR 549 HE2 0.26 0.01 -0.04 -0.04 6.85 7.03 2olsA1 ALA 550 H 0.19 0.10 0.11 -0.55 8.40 8.25 2olsA1 ALA 550 HA 0.06 0.10 0.19 -0.75 4.34 3.94 2olsA1 ALA 550 HB3 0.06 -0.01 0.08 -0.04 1.41 1.50 2olsA1 SER 551 H 0.14 0.13 -0.10 -0.55 8.46 8.09 2olsA1 SER 551 HA -0.05 0.25 0.53 -0.75 4.49 4.46 2olsA1 SER 551 HB2 -0.03 0.03 0.16 -0.04 3.95 4.07 2olsA1 SER 551 HB3 0.00 0.22 -0.07 -0.04 3.93 4.04 2olsA1 PRO 552 HA 0.02 0.16 0.54 -0.51 4.44 4.65 2olsA1 PRO 552 HB2 -0.01 0.10 0.12 -0.04 2.28 2.45 2olsA1 PRO 552 HB3 0.03 0.02 0.11 -0.04 2.02 2.14 2olsA1 PRO 552 HG2 -0.75 0.05 0.11 -0.04 2.03 1.40 2olsA1 PRO 552 HG3 -0.48 0.09 0.05 -0.04 2.03 1.65 2olsA1 PRO 552 HD2 -0.18 0.09 0.23 -0.04 3.68 3.78 2olsA1 PRO 552 HD3 -0.29 0.21 0.16 -0.04 3.65 3.69 2olsA1 VAL 553 H 0.04 0.15 -0.16 -0.55 8.24 7.73 2olsA1 VAL 553 HA 0.10 0.11 0.42 -0.75 4.13 4.01 2olsA1 VAL 553 HB 0.05 0.04 0.01 -0.04 2.12 2.17 2olsA1 VAL 553 HG13 0.02 0.03 -0.08 -0.04 0.97 0.90 2olsA1 VAL 553 HG23 0.04 0.02 -0.05 -0.04 0.95 0.92 2olsA1 ASP 554 H 0.09 0.06 -0.19 -0.55 8.40 7.82 2olsA1 ASP 554 HA 0.10 0.08 0.50 -0.75 4.63 4.56 2olsA1 ASP 554 HB2 0.14 -0.08 0.11 -0.04 2.71 2.83 2olsA1 ASP 554 HB3 0.16 0.03 0.03 -0.04 2.70 2.88 2olsA1 PHE 555 H 0.26 0.49 -0.28 -0.55 8.34 8.25 2olsA1 PHE 555 HA -0.21 0.06 0.47 -0.75 4.62 4.18 2olsA1 PHE 555 HB2 0.02 0.06 0.10 -0.04 3.15 3.30 2olsA1 PHE 555 HB3 0.03 0.17 0.14 -0.04 3.06 3.36 2olsA1 PHE 555 HD2 -0.24 -0.05 -0.04 -0.04 7.28 6.91 2olsA1 PHE 555 HE2 -0.07 0.08 0.07 -0.04 7.38 7.41 2olsA1 PHE 555 HZ -0.04 0.17 0.11 -0.04 7.32 7.53 2olsA1 TYR 556 H 0.27 0.25 -0.26 -0.55 8.29 8.00 2olsA1 TYR 556 HA -0.15 0.06 0.34 -0.75 4.56 4.05 2olsA1 TYR 556 HB2 0.10 0.06 0.13 -0.04 3.06 3.31 2olsA1 TYR 556 HB3 0.03 0.07 0.16 -0.04 2.98 3.20 2olsA1 TYR 556 HD2 0.05 0.06 -0.13 -0.04 7.15 7.09 2olsA1 TYR 556 HE2 0.06 0.03 -0.00 -0.04 6.85 6.90 2olsA1 VAL 557 H 0.14 0.50 0.02 -0.55 8.24 8.35 2olsA1 VAL 557 HA 0.00 0.04 0.48 -0.75 4.13 3.90 2olsA1 VAL 557 HB 0.05 0.00 0.15 -0.04 2.12 2.29 2olsA1 VAL 557 HG13 0.01 -0.01 -0.14 -0.04 0.97 0.80 2olsA1 VAL 557 HG23 0.08 0.09 0.10 -0.04 0.95 1.17 2olsA1 ASP 558 H -0.01 0.62 -0.15 -0.55 8.40 8.30 2olsA1 ASP 558 HA 0.01 -0.01 0.30 -0.75 4.63 4.17 2olsA1 ASP 558 HB2 0.01 0.13 0.20 -0.04 2.71 3.01 2olsA1 ASP 558 HB3 0.23 -0.03 0.04 -0.04 2.70 2.91 2olsA1 LYS 559 H -0.37 0.60 -0.13 -0.55 8.42 7.97 2olsA1 LYS 559 HA -0.20 0.03 0.43 -0.75 4.32 3.83 2olsA1 LYS 559 HB2 -0.61 0.10 0.14 -0.04 1.87 1.46 2olsA1 LYS 559 HB3 -0.38 -0.09 -0.02 -0.04 1.79 1.26 2olsA1 LYS 559 HG2 -0.98 -0.03 0.10 -0.04 1.46 0.51 2olsA1 LYS 559 HG3 -1.46 0.07 0.03 -0.04 1.46 0.05 2olsA1 LYS 559 HD2 -0.25 0.07 0.05 -0.04 1.69 1.52 2olsA1 LYS 559 HD3 -0.20 -0.13 0.10 -0.04 1.68 1.41 2olsA1 LYS 559 HE2 -0.33 -0.07 0.03 -0.04 2.99 2.58 2olsA1 LYS 559 HE3 -0.12 0.12 0.08 -0.04 2.99 3.03 2olsA1 ILE 560 H -0.27 0.51 -0.12 -0.55 8.25 7.83 2olsA1 ILE 560 HA -0.17 -0.05 0.58 -0.75 4.18 3.79 2olsA1 ILE 560 HB -0.18 0.17 0.22 -0.04 1.89 2.06 2olsA1 ILE 560 HG12 -0.27 -0.11 0.04 -0.04 1.49 1.11 2olsA1 ILE 560 HG13 -0.51 0.13 0.06 -0.04 1.21 0.84 2olsA1 ILE 560 HG23 -0.11 -0.03 -0.05 -0.04 0.93 0.71 2olsA1 ILE 560 HD13 -0.34 -0.03 -0.01 -0.04 0.88 0.46 2olsA1 ALA 561 H -0.09 0.68 -0.01 -0.55 8.40 8.43 2olsA1 ALA 561 HA -0.05 -0.01 0.40 -0.75 4.34 3.92 2olsA1 ALA 561 HB3 -0.02 0.03 0.13 -0.04 1.41 1.50 2olsA1 GLU 562 H -0.04 0.67 -0.03 -0.55 8.60 8.66 2olsA1 GLU 562 HA 0.00 0.13 0.49 -0.75 4.29 4.16 2olsA1 GLU 562 HB2 -0.03 0.04 0.22 -0.04 2.09 2.28 2olsA1 GLU 562 HB3 0.02 -0.04 0.16 -0.04 1.99 2.10 2olsA1 GLU 562 HG2 0.07 -0.02 -0.27 -0.04 2.34 2.08 2olsA1 GLU 562 HG3 0.05 0.11 0.02 -0.04 2.34 2.47 2olsA1 GLY 563 H -0.07 0.55 -0.11 -0.55 8.43 8.25 2olsA1 GLY 563 HA2 -0.06 -0.03 0.36 -0.51 4.01 3.77 2olsA1 GLY 563 HA3 -0.06 -0.03 0.39 -0.51 4.01 3.81 2olsA1 VAL 564 H -0.06 0.73 -0.07 -0.55 8.24 8.28 2olsA1 VAL 564 HA -0.06 -0.04 0.42 -0.75 4.13 3.69 2olsA1 VAL 564 HB -0.05 0.11 0.06 -0.04 2.12 2.20 2olsA1 VAL 564 HG13 -0.04 -0.01 -0.12 -0.04 0.97 0.76 2olsA1 VAL 564 HG23 -0.06 0.00 -0.01 -0.04 0.95 0.83 2olsA1 ALA 565 H -0.05 0.81 0.05 -0.55 8.40 8.66 2olsA1 ALA 565 HA -0.06 0.00 0.50 -0.75 4.34 4.04 2olsA1 ALA 565 HB3 -0.04 0.02 0.10 -0.04 1.41 1.45 2olsA1 THR 566 H -0.06 0.62 -0.23 -0.55 8.28 8.06 2olsA1 THR 566 HA -0.02 -0.01 0.41 -0.75 4.39 4.01 2olsA1 THR 566 HB -0.13 0.10 0.20 -0.04 4.32 4.45 2olsA1 THR 566 HG23 -0.43 -0.05 -0.07 -0.04 1.22 0.62 2olsA1 LEU 567 H -0.09 0.52 -0.02 -0.55 8.37 8.23 2olsA1 LEU 567 HA -0.08 -0.05 0.41 -0.75 4.35 3.88 2olsA1 LEU 567 HB2 -0.06 0.12 0.14 -0.04 1.64 1.80 2olsA1 LEU 567 HB3 -0.04 -0.06 -0.06 -0.04 1.64 1.43 2olsA1 LEU 567 HG -0.10 0.12 0.05 -0.04 1.64 1.66 2olsA1 LEU 567 HD13 -0.06 -0.02 -0.15 -0.04 0.93 0.66 2olsA1 LEU 567 HD23 -0.07 -0.05 -0.25 -0.04 0.89 0.48 2olsA1 ALA 568 H -0.05 0.66 -0.14 -0.55 8.40 8.32 2olsA1 ALA 568 HA 0.01 0.01 0.39 -0.75 4.34 4.00 2olsA1 ALA 568 HB3 -0.00 0.00 0.02 -0.04 1.41 1.39 2olsA1 ALA 569 H -0.13 0.67 -0.16 -0.55 8.40 8.24 2olsA1 ALA 569 HA -0.52 0.02 0.56 -0.75 4.34 3.65 2olsA1 ALA 569 HB3 -0.63 0.00 0.08 -0.04 1.41 0.82 2olsA1 SER 570 H 0.03 0.35 -0.43 -0.55 8.46 7.87 2olsA1 SER 570 HA 0.02 -0.05 0.18 -0.75 4.49 3.88 2olsA1 SER 570 HB2 -0.02 0.02 -0.16 -0.04 3.95 3.75 2olsA1 SER 570 HB3 0.03 0.01 0.01 -0.04 3.93 3.93 2olsA1 VAL 571 H 0.07 0.17 -0.33 -0.55 8.24 7.59 2olsA1 VAL 571 HA 0.07 0.28 0.86 -0.75 4.13 4.58 2olsA1 VAL 571 HB 0.05 -0.04 0.02 -0.04 2.12 2.10 2olsA1 VAL 571 HG13 0.03 -0.01 -0.23 -0.04 0.97 0.72 2olsA1 VAL 571 HG23 0.03 0.02 -0.19 -0.04 0.95 0.78 2olsA1 TYR 572 H 0.22 0.17 -0.27 -0.55 8.29 7.86 2olsA1 TYR 572 HA 0.08 -0.07 0.48 -0.75 4.56 4.30 2olsA1 TYR 572 HB2 0.05 0.19 0.19 -0.04 3.06 3.45 2olsA1 TYR 572 HB3 0.35 0.08 0.13 -0.04 2.98 3.49 2olsA1 TYR 572 HD2 0.17 -0.01 -0.19 -0.04 7.15 7.08 2olsA1 TYR 572 HE2 0.09 -0.01 0.02 -0.04 6.85 6.90 2olsA1 PRO 573 HA -1.27 0.01 0.31 -0.51 4.44 2.98 2olsA1 PRO 573 HB2 -0.44 -0.00 0.16 -0.04 2.28 1.96 2olsA1 PRO 573 HB3 -1.15 0.00 0.08 -0.04 2.02 0.91 2olsA1 PRO 573 HG2 -0.14 0.02 0.01 -0.04 2.03 1.88 2olsA1 PRO 573 HG3 -0.13 -0.01 0.06 -0.04 2.03 1.91 2olsA1 PRO 573 HD2 0.00 0.12 0.30 -0.04 3.68 4.06 2olsA1 PRO 573 HD3 0.06 0.08 0.12 -0.04 3.65 3.87 2olsA1 ARG 574 H -0.02 0.62 0.21 -0.55 8.46 8.72 2olsA1 ARG 574 HA -0.05 0.04 0.32 -0.75 4.34 3.90 2olsA1 ARG 574 HB2 0.02 0.33 0.05 -0.04 1.90 2.26 2olsA1 ARG 574 HB3 0.01 -0.04 -0.11 -0.04 1.80 1.62 2olsA1 ARG 574 HG2 0.00 -0.04 -0.05 -0.04 1.67 1.54 2olsA1 ARG 574 HG3 0.00 -0.02 -0.06 -0.04 1.67 1.55 2olsA1 ARG 574 HD2 0.05 -0.18 -0.30 -0.04 3.22 2.74 2olsA1 ARG 574 HD3 0.05 0.00 -0.01 -0.04 3.22 3.23 2olsA1 LYS 575 H -0.03 0.15 0.18 -0.55 8.42 8.16 2olsA1 LYS 575 HA -0.04 0.26 0.42 -0.75 4.32 4.21 2olsA1 LYS 575 HB2 -0.06 0.03 0.13 -0.04 1.87 1.93 2olsA1 LYS 575 HB3 -0.05 -0.01 0.11 -0.04 1.79 1.79 2olsA1 LYS 575 HG2 -0.10 -0.07 -0.28 -0.04 1.46 0.96 2olsA1 LYS 575 HG3 -0.11 0.08 -0.06 -0.04 1.46 1.33 2olsA1 LYS 575 HD2 -0.16 -0.04 -0.13 -0.04 1.69 1.32 2olsA1 LYS 575 HD3 -0.38 -0.08 -0.14 -0.04 1.68 1.04 2olsA1 LYS 575 HE2 -0.13 0.05 -0.04 -0.04 2.99 2.83 2olsA1 LYS 575 HE3 -0.08 0.04 -0.02 -0.04 2.99 2.89 2olsA1 THR 576 H -0.02 0.77 0.23 -0.55 8.28 8.71 2olsA1 THR 576 HA -0.02 0.10 0.83 -0.75 4.39 4.54 2olsA1 THR 576 HB -0.00 -0.01 0.03 -0.04 4.32 4.30 2olsA1 THR 576 HG23 -0.02 -0.05 -0.23 -0.04 1.22 0.88 2olsA1 ILE 577 H -0.03 0.58 0.02 -0.55 8.25 8.27 2olsA1 ILE 577 HA -0.03 0.16 0.76 -0.75 4.18 4.31 2olsA1 ILE 577 HB -0.02 -0.00 -0.15 -0.04 1.89 1.68 2olsA1 ILE 577 HG12 -0.15 0.03 -0.20 -0.04 1.49 1.12 2olsA1 ILE 577 HG13 -0.09 0.10 -0.15 -0.04 1.21 1.03 2olsA1 ILE 577 HG23 -0.01 -0.04 -0.38 -0.04 0.93 0.46 2olsA1 ILE 577 HD13 -0.22 -0.00 -0.14 -0.04 0.88 0.48 2olsA1 VAL 578 H -0.01 0.94 0.30 -0.55 8.24 8.92 2olsA1 VAL 578 HA -0.02 0.11 0.63 -0.75 4.13 4.10 2olsA1 VAL 578 HB -0.02 0.07 0.16 -0.04 2.12 2.29 2olsA1 VAL 578 HG13 -0.03 -0.02 -0.22 -0.04 0.97 0.66 2olsA1 VAL 578 HG23 -0.02 0.03 -0.09 -0.04 0.95 0.82 2olsA1 ARG 579 H -0.01 0.41 0.23 -0.55 8.46 8.53 2olsA1 ARG 579 HA 0.03 0.14 0.75 -0.75 4.34 4.51 2olsA1 ARG 579 HB2 0.00 -0.02 -0.00 -0.04 1.90 1.84 2olsA1 ARG 579 HB3 -0.01 -0.14 0.11 -0.04 1.80 1.72 2olsA1 ARG 579 HG2 0.04 0.32 -0.14 -0.04 1.67 1.86 2olsA1 ARG 579 HG3 0.03 -0.04 -0.17 -0.04 1.67 1.45 2olsA1 ARG 579 HD2 0.02 -0.08 -0.08 -0.04 3.22 3.04 2olsA1 ARG 579 HD3 0.01 -0.01 -0.10 -0.04 3.22 3.08 2olsA1 MET 580 H 0.06 0.55 0.28 -0.55 8.47 8.81 2olsA1 MET 580 HA -0.01 0.06 0.52 -0.75 4.52 4.33 2olsA1 MET 580 HB2 0.13 0.00 0.12 -0.04 2.15 2.36 2olsA1 MET 580 HB3 -0.10 -0.10 0.13 -0.04 2.03 1.91 2olsA1 MET 580 HG2 -0.05 0.01 0.00 -0.04 2.63 2.55 2olsA1 MET 580 HG3 0.04 0.17 0.09 -0.04 2.56 2.81 2olsA1 MET 580 HE3 -0.34 0.00 -0.09 -0.04 2.10 1.62 2olsA1 SER 581 H 0.05 0.13 0.13 -0.55 8.46 8.24 2olsA1 SER 581 HA -0.10 -0.04 0.08 -0.75 4.49 3.68 2olsA1 SER 581 HB2 -0.02 -0.11 -0.03 -0.04 3.95 3.75 2olsA1 SER 581 HB3 -0.06 0.06 0.07 -0.04 3.93 3.96 2olsA1 ASP 582 H -0.19 0.06 0.11 -0.55 8.40 7.83 2olsA1 ASP 582 HA 0.01 0.15 0.56 -0.75 4.63 4.59 2olsA1 ASP 582 HB2 -0.01 0.17 -0.01 -0.04 2.71 2.82 2olsA1 ASP 582 HB3 -0.07 -0.06 0.08 -0.04 2.70 2.61 2olsA1 PHE 583 H 0.00 0.09 -0.30 -0.55 8.34 7.58 2olsA1 PHE 583 HA -0.11 0.01 0.44 -0.75 4.62 4.20 2olsA1 PHE 583 HB2 -0.48 0.00 0.01 -0.04 3.15 2.64 2olsA1 PHE 583 HB3 -0.44 0.13 -0.11 -0.04 3.06 2.60 2olsA1 PHE 583 HD2 -0.55 0.01 -0.06 -0.04 7.28 6.64 2olsA1 PHE 583 HE2 -0.15 0.03 -0.08 -0.04 7.38 7.14 2olsA1 PHE 583 HZ -0.11 0.12 0.03 -0.04 7.32 7.31 2olsA1 LYS 584 H 0.09 0.07 0.18 -0.55 8.42 8.21 2olsA1 LYS 584 HA -0.02 0.25 0.64 -0.75 4.32 4.43 2olsA1 LYS 584 HB2 -0.02 -0.08 0.06 -0.04 1.87 1.79 2olsA1 LYS 584 HB3 -0.04 -0.05 0.07 -0.04 1.79 1.73 2olsA1 LYS 584 HG2 -0.13 0.16 -0.07 -0.04 1.46 1.39 2olsA1 LYS 584 HG3 -0.04 0.03 0.01 -0.04 1.46 1.42 2olsA1 LYS 584 HD2 -0.05 -0.10 -0.20 -0.04 1.69 1.29 2olsA1 LYS 584 HD3 -0.08 0.02 -0.19 -0.04 1.68 1.39 2olsA1 LYS 584 HE2 -0.01 0.02 -0.01 -0.04 2.99 2.95 2olsA1 LYS 584 HE3 -0.02 -0.00 -0.05 -0.04 2.99 2.88 2olsA1 SER 585 H 0.04 0.22 0.13 -0.55 8.46 8.29 2olsA1 SER 585 HA 0.25 0.10 0.39 -0.75 4.49 4.48 2olsA1 SER 585 HB2 0.11 0.09 0.03 -0.04 3.95 4.15 2olsA1 SER 585 HB3 0.13 0.13 0.15 -0.04 3.93 4.30 2olsA1 ASN 586 H 0.00 0.04 -0.22 -0.55 8.53 7.80 2olsA1 ASN 586 HA 0.03 0.18 0.44 -0.75 4.76 4.66 2olsA1 ASN 586 HB2 0.00 0.08 0.05 -0.04 2.88 2.98 2olsA1 ASN 586 HB3 -0.01 0.01 0.07 -0.04 2.79 2.82 2olsA1 ASN 586 HD21 -0.03 -0.02 -0.04 -0.04 7.03 6.90 2olsA1 ASN 586 HD22 -0.02 0.07 -0.00 -0.04 7.74 7.74 2olsA1 GLU 587 H -0.10 0.23 -0.44 -0.55 8.60 7.74 2olsA1 GLU 587 HA -0.26 0.15 0.63 -0.75 4.29 4.06 2olsA1 GLU 587 HB2 -0.51 0.07 0.10 -0.04 2.09 1.70 2olsA1 GLU 587 HB3 -1.24 0.03 -0.02 -0.04 1.99 0.72 2olsA1 GLU 587 HG2 -0.16 0.09 -0.03 -0.04 2.34 2.20 2olsA1 GLU 587 HG3 -0.11 -0.09 -0.08 -0.04 2.34 2.02 2olsA1 TYR 588 H -0.06 0.31 -0.07 -0.55 8.29 7.92 2olsA1 TYR 588 HA -0.11 0.05 0.54 -0.75 4.56 4.28 2olsA1 TYR 588 HB2 0.07 0.06 0.09 -0.04 3.06 3.25 2olsA1 TYR 588 HB3 0.26 0.03 -0.10 -0.04 2.98 3.12 2olsA1 TYR 588 HD2 -0.13 0.02 -0.13 -0.04 7.15 6.87 2olsA1 TYR 588 HE2 0.07 0.04 -0.05 -0.04 6.85 6.86 2olsA1 ALA 589 H 0.13 0.47 -0.26 -0.55 8.40 8.19 2olsA1 ALA 589 HA 0.17 -0.03 0.14 -0.75 4.34 3.87 2olsA1 ALA 589 HB3 0.07 0.04 0.03 -0.04 1.41 1.51 2olsA1 ASN 590 H -0.03 0.19 -0.46 -0.55 8.53 7.69 2olsA1 ASN 590 HA 0.01 0.04 0.44 -0.75 4.76 4.49 2olsA1 ASN 590 HB2 -0.09 0.07 0.01 -0.04 2.88 2.82 2olsA1 ASN 590 HB3 -0.03 -0.02 0.07 -0.04 2.79 2.77 2olsA1 ASN 590 HD21 -0.01 -0.05 -0.01 -0.04 7.03 6.93 2olsA1 ASN 590 HD22 -0.00 0.01 -0.02 -0.04 7.74 7.69 2olsA1 LEU 591 H 0.05 0.17 -0.48 -0.55 8.37 7.56 2olsA1 LEU 591 HA 0.05 0.19 0.53 -0.75 4.35 4.37 2olsA1 LEU 591 HB2 0.22 0.02 -0.11 -0.04 1.64 1.73 2olsA1 LEU 591 HB3 0.16 -0.06 -0.29 -0.04 1.64 1.40 2olsA1 LEU 591 HG -0.07 0.10 -0.00 -0.04 1.64 1.63 2olsA1 LEU 591 HD13 0.14 -0.02 -0.22 -0.04 0.93 0.79 2olsA1 LEU 591 HD23 0.02 -0.02 -0.19 -0.04 0.89 0.66 2olsA1 VAL 592 H 0.10 0.68 0.41 -0.55 8.24 8.89 2olsA1 VAL 592 HA 0.07 0.03 0.54 -0.75 4.13 4.01 2olsA1 VAL 592 HB 0.06 -0.07 0.13 -0.04 2.12 2.20 2olsA1 VAL 592 HG13 0.05 0.12 0.13 -0.04 0.97 1.24 2olsA1 VAL 592 HG23 0.09 -0.01 -0.05 -0.04 0.95 0.95 2olsA1 GLY 593 H 0.06 0.13 0.22 -0.55 8.43 8.30 2olsA1 GLY 593 HA2 0.04 -0.01 0.34 -0.51 4.01 3.87 2olsA1 GLY 593 HA3 0.13 0.10 0.57 -0.51 4.01 4.30 2olsA1 GLY 594 H 0.11 0.42 -0.04 -0.55 8.43 8.37 2olsA1 GLY 594 HA2 0.16 -0.03 0.13 -0.51 4.01 3.76 2olsA1 GLY 594 HA3 0.25 0.37 0.22 -0.51 4.01 4.34 2olsA1 ASN 595 H 0.03 0.15 0.11 -0.55 8.53 8.26 2olsA1 ASN 595 HA 0.05 0.09 0.32 -0.75 4.76 4.47 2olsA1 ASN 595 HB2 -0.02 -0.07 0.10 -0.04 2.88 2.84 2olsA1 ASN 595 HB3 -0.01 0.01 -0.06 -0.04 2.79 2.69 2olsA1 ASN 595 HD21 0.02 0.03 0.02 -0.04 7.03 7.06 2olsA1 ASN 595 HD22 0.01 -0.08 0.07 -0.04 7.74 7.70 2olsA1 VAL 596 H -0.17 0.09 -0.28 -0.55 8.24 7.33 2olsA1 VAL 596 HA -0.15 0.06 0.32 -0.75 4.13 3.61 2olsA1 VAL 596 HB -0.23 -0.06 0.04 -0.04 2.12 1.82 2olsA1 VAL 596 HG13 -0.91 0.03 -0.15 -0.04 0.97 -0.10 2olsA1 VAL 596 HG23 -0.24 0.00 0.02 -0.04 0.95 0.70 2olsA1 TYR 597 H -0.14 0.45 -0.48 -0.55 8.29 7.57 2olsA1 TYR 597 HA -0.02 0.14 0.74 -0.75 4.56 4.66 2olsA1 TYR 597 HB2 -0.40 0.12 0.01 -0.04 3.06 2.75 2olsA1 TYR 597 HB3 -0.04 -0.06 0.08 -0.04 2.98 2.92 2olsA1 TYR 597 HD2 -0.35 0.06 -0.03 -0.04 7.15 6.79 2olsA1 TYR 597 HE2 -0.10 0.01 -0.10 -0.04 6.85 6.62 2olsA1 GLU 598 H 0.07 0.45 -0.26 -0.55 8.60 8.32 2olsA1 GLU 598 HA 0.16 0.14 0.84 -0.75 4.29 4.67 2olsA1 GLU 598 HB2 0.15 -0.01 0.05 -0.04 2.09 2.24 2olsA1 GLU 598 HB3 0.15 -0.04 -0.01 -0.04 1.99 2.05 2olsA1 GLU 598 HG2 0.31 0.05 -0.37 -0.04 2.34 2.30 2olsA1 GLU 598 HG3 0.38 -0.15 -0.36 -0.04 2.34 2.17 2olsA1 PRO 599 HA 0.05 0.05 0.45 -0.51 4.44 4.48 2olsA1 PRO 599 HB2 0.01 0.02 -0.06 -0.04 2.28 2.20 2olsA1 PRO 599 HB3 0.02 0.01 0.07 -0.04 2.02 2.08 2olsA1 PRO 599 HG2 0.00 0.00 0.01 -0.04 2.03 2.00 2olsA1 PRO 599 HG3 0.02 0.08 -0.03 -0.04 2.03 2.06 2olsA1 PRO 599 HD2 0.04 0.03 0.12 -0.04 3.68 3.83 2olsA1 PRO 599 HD3 0.09 0.25 -0.31 -0.04 3.65 3.65 2olsA1 HIS 600 H 0.13 0.09 0.15 -0.55 8.41 8.24 2olsA1 HIS 600 HA 0.01 0.01 0.40 -0.75 4.63 4.30 2olsA1 HIS 600 HB2 0.00 0.03 0.12 -0.04 3.26 3.37 2olsA1 HIS 600 HB3 0.00 -0.02 0.09 -0.04 3.20 3.23 2olsA1 HIS 600 HD2 -0.00 -0.07 -0.33 -0.04 6.97 6.53 2olsA1 HIS 600 HE1 -0.00 -0.03 0.01 -0.04 7.75 7.68 2olsA1 GLU 601 H -0.44 0.12 0.18 -0.55 8.60 7.91 2olsA1 GLU 601 HA -0.11 0.19 0.80 -0.75 4.29 4.41 2olsA1 GLU 601 HB2 -0.16 -0.08 -0.01 -0.04 2.09 1.80 2olsA1 GLU 601 HB3 -0.09 -0.08 -0.12 -0.04 1.99 1.66 2olsA1 GLU 601 HG2 -0.04 0.08 -0.06 -0.04 2.34 2.27 2olsA1 GLU 601 HG3 -0.06 0.24 -0.14 -0.04 2.34 2.35 2olsA1 GLU 602 H -0.06 0.18 0.07 -0.55 8.60 8.24 2olsA1 GLU 602 HA 0.00 0.14 0.50 -0.75 4.29 4.18 2olsA1 GLU 602 HB2 -0.01 -0.04 0.07 -0.04 2.09 2.07 2olsA1 GLU 602 HB3 0.01 0.04 -0.07 -0.04 1.99 1.93 2olsA1 GLU 602 HG2 0.04 -0.01 0.02 -0.04 2.34 2.35 2olsA1 GLU 602 HG3 0.02 0.03 0.01 -0.04 2.34 2.36 2olsA1 ASN 603 H -0.05 0.07 -0.22 -0.55 8.53 7.79 2olsA1 ASN 603 HA -0.03 0.24 0.71 -0.75 4.76 4.93 2olsA1 ASN 603 HB2 -0.01 0.01 0.11 -0.04 2.88 2.95 2olsA1 ASN 603 HB3 -0.00 -0.04 0.05 -0.04 2.79 2.76 2olsA1 ASN 603 HD21 0.01 0.07 -0.13 -0.04 7.03 6.94 2olsA1 ASN 603 HD22 -0.00 -0.07 -0.12 -0.04 7.74 7.51 2olsA1 PRO 604 HA -0.06 0.03 0.40 -0.51 4.44 4.29 2olsA1 PRO 604 HB2 -0.05 0.05 -0.05 -0.04 2.28 2.19 2olsA1 PRO 604 HB3 -0.06 -0.10 0.07 -0.04 2.02 1.90 2olsA1 PRO 604 HG2 -0.05 0.09 0.02 -0.04 2.03 2.05 2olsA1 PRO 604 HG3 -0.12 0.10 0.03 -0.04 2.03 2.00 2olsA1 PRO 604 HD2 -0.04 0.15 0.04 -0.04 3.68 3.79 2olsA1 PRO 604 HD3 -0.10 0.33 -0.44 -0.04 3.65 3.39 2olsA1 MET 605 H -0.03 0.15 -0.25 -0.55 8.47 7.80 2olsA1 MET 605 HA -0.09 0.05 0.40 -0.75 4.52 4.12 2olsA1 MET 605 HB2 0.00 0.00 -0.03 -0.04 2.15 2.09 2olsA1 MET 605 HB3 0.03 0.07 -0.06 -0.04 2.03 2.03 2olsA1 MET 605 HG2 -0.01 0.01 0.03 -0.04 2.63 2.62 2olsA1 MET 605 HG3 -0.01 -0.04 0.02 -0.04 2.56 2.48 2olsA1 MET 605 HE3 0.06 0.04 -0.02 -0.04 2.10 2.14 2olsA1 LEU 606 H -0.02 0.33 -0.48 -0.55 8.37 7.65 2olsA1 LEU 606 HA 0.11 0.15 0.66 -0.75 4.35 4.52 2olsA1 LEU 606 HB2 0.02 0.08 0.04 -0.04 1.64 1.74 2olsA1 LEU 606 HB3 0.06 0.01 0.15 -0.04 1.64 1.81 2olsA1 LEU 606 HG 0.04 -0.13 -0.18 -0.04 1.64 1.33 2olsA1 LEU 606 HD13 0.03 0.01 -0.03 -0.04 0.93 0.90 2olsA1 LEU 606 HD23 0.10 0.03 -0.11 -0.04 0.89 0.87 2olsA1 GLY 607 H -0.07 0.27 -0.35 -0.55 8.43 7.73 2olsA1 GLY 607 HA2 0.02 0.17 0.57 -0.51 4.01 4.27 2olsA1 GLY 607 HA3 -0.01 -0.11 0.31 -0.51 4.01 3.70 2olsA1 PHE 608 H 0.11 0.10 0.11 -0.55 8.34 8.11 2olsA1 PHE 608 HA -0.10 0.05 0.27 -0.75 4.62 4.09 2olsA1 PHE 608 HB2 -0.09 0.01 0.10 -0.04 3.15 3.14 2olsA1 PHE 608 HB3 -0.13 -0.02 0.23 -0.04 3.06 3.09 2olsA1 PHE 608 HD2 -0.25 -0.01 -0.04 -0.04 7.28 6.94 2olsA1 PHE 608 HE2 -1.00 0.05 -0.09 -0.04 7.38 6.31 2olsA1 PHE 608 HZ -0.07 -0.02 -0.00 -0.04 7.32 7.18 2olsA1 ARG 609 H -0.26 0.32 0.33 -0.55 8.46 8.29 2olsA1 ARG 609 HA -0.30 0.14 0.63 -0.75 4.34 4.06 2olsA1 ARG 609 HB2 -0.25 0.02 -0.09 -0.04 1.90 1.55 2olsA1 ARG 609 HB3 -0.18 -0.01 -0.28 -0.04 1.80 1.28 2olsA1 ARG 609 HG2 -0.32 0.29 -0.20 -0.04 1.67 1.41 2olsA1 ARG 609 HG3 -0.61 -0.07 -0.29 -0.04 1.67 0.66 2olsA1 ARG 609 HD2 -0.37 -0.02 -0.18 -0.04 3.22 2.61 2olsA1 ARG 609 HD3 -0.99 0.14 -0.16 -0.04 3.22 2.17 2olsA1 GLY 610 H -0.26 0.23 0.11 -0.55 8.43 7.97 2olsA1 GLY 610 HA2 -0.44 0.14 0.26 -0.51 4.01 3.47 2olsA1 GLY 610 HA3 -0.19 0.09 0.37 -0.51 4.01 3.77 2olsA1 ALA 611 H -0.26 0.51 0.25 -0.55 8.40 8.34 2olsA1 ALA 611 HA -0.49 0.06 0.31 -0.75 4.34 3.47 2olsA1 ALA 611 HB3 -0.07 0.02 0.07 -0.04 1.41 1.39 2olsA1 ALA 612 H -0.19 0.26 -0.13 -0.55 8.40 7.80 2olsA1 ALA 612 HA -0.06 0.03 0.34 -0.75 4.34 3.89 2olsA1 ALA 612 HB3 -0.03 0.01 0.05 -0.04 1.41 1.40 2olsA1 ARG 613 H -0.52 0.23 -0.45 -0.55 8.46 7.17 2olsA1 ARG 613 HA -0.97 0.05 0.59 -0.75 4.34 3.24 2olsA1 ARG 613 HB2 -1.26 -0.06 -0.22 -0.04 1.90 0.32 2olsA1 ARG 613 HB3 -0.55 0.14 -0.11 -0.04 1.80 1.24 2olsA1 ARG 613 HG2 -0.16 0.05 -0.35 -0.04 1.67 1.16 2olsA1 ARG 613 HG3 -0.82 -0.02 -0.07 -0.04 1.67 0.72 2olsA1 ARG 613 HD2 -0.10 -0.04 -0.05 -0.04 3.22 2.99 2olsA1 ARG 613 HD3 -0.21 -0.03 -0.09 -0.04 3.22 2.85 2olsA1 TYR 614 H -0.43 0.38 -0.23 -0.55 8.29 7.46 2olsA1 TYR 614 HA -0.24 0.01 0.26 -0.75 4.56 3.84 2olsA1 TYR 614 HB2 -0.54 0.08 0.06 -0.04 3.06 2.63 2olsA1 TYR 614 HB3 -1.92 -0.01 -0.00 -0.04 2.98 1.01 2olsA1 TYR 614 HD2 -0.11 -0.02 -0.11 -0.04 7.15 6.87 2olsA1 TYR 614 HE2 0.09 0.00 -0.03 -0.04 6.85 6.88 2olsA1 VAL 615 H -0.10 0.26 -0.37 -0.55 8.24 7.49 2olsA1 VAL 615 HA -0.04 0.18 0.49 -0.75 4.13 4.01 2olsA1 VAL 615 HB -0.01 -0.02 0.02 -0.04 2.12 2.07 2olsA1 VAL 615 HG13 -0.09 0.00 -0.24 -0.04 0.97 0.61 2olsA1 VAL 615 HG23 -0.03 0.04 -0.08 -0.04 0.95 0.84 2olsA1 ALA 616 H 0.06 0.21 -0.39 -0.55 8.40 7.73 2olsA1 ALA 616 HA 0.14 0.00 0.49 -0.75 4.34 4.22 2olsA1 ALA 616 HB3 0.40 0.06 0.13 -0.04 1.41 1.96 2olsA1 ASP 617 H 0.11 0.18 0.22 -0.55 8.40 8.36 2olsA1 ASP 617 HA 0.08 0.12 0.40 -0.75 4.63 4.47 2olsA1 ASP 617 HB2 0.06 0.01 0.19 -0.04 2.71 2.93 2olsA1 ASP 617 HB3 0.05 0.01 -0.02 -0.04 2.70 2.70 2olsA1 ASN 618 H 0.17 0.04 -0.28 -0.55 8.53 7.91 2olsA1 ASN 618 HA -0.04 0.11 0.44 -0.75 4.76 4.52 2olsA1 ASN 618 HB2 0.23 0.06 -0.01 -0.04 2.88 3.13 2olsA1 ASN 618 HB3 0.03 0.04 0.08 -0.04 2.79 2.90 2olsA1 ASN 618 HD21 -0.02 -0.01 0.01 -0.04 7.03 6.97 2olsA1 ASN 618 HD22 0.08 0.06 -0.00 -0.04 7.74 7.83 2olsA1 PHE 619 H 0.28 0.60 -0.40 -0.55 8.34 8.26 2olsA1 PHE 619 HA 0.04 0.12 0.84 -0.75 4.62 4.86 2olsA1 PHE 619 HB2 0.11 0.21 0.04 -0.04 3.15 3.47 2olsA1 PHE 619 HB3 0.04 -0.10 0.12 -0.04 3.06 3.08 2olsA1 PHE 619 HD2 0.13 -0.13 -0.16 -0.04 7.28 7.08 2olsA1 PHE 619 HE2 0.08 -0.04 -0.04 -0.04 7.38 7.34 2olsA1 PHE 619 HZ 0.12 0.29 0.07 -0.04 7.32 7.77 2olsA1 LYS 620 H 0.11 0.26 -0.04 -0.55 8.42 8.20 2olsA1 LYS 620 HA 0.20 0.23 0.33 -0.75 4.32 4.32 2olsA1 LYS 620 HB2 0.13 0.04 0.06 -0.04 1.87 2.06 2olsA1 LYS 620 HB3 0.11 0.11 -0.05 -0.04 1.79 1.91 2olsA1 LYS 620 HG2 0.06 0.06 0.08 -0.04 1.46 1.63 2olsA1 LYS 620 HG3 0.07 -0.02 -0.19 -0.04 1.46 1.29 2olsA1 LYS 620 HD2 0.07 0.02 -0.03 -0.04 1.69 1.71 2olsA1 LYS 620 HD3 0.07 0.01 -0.02 -0.04 1.68 1.70 2olsA1 LYS 620 HE2 0.04 -0.00 0.01 -0.04 2.99 2.99 2olsA1 LYS 620 HE3 0.04 -0.01 0.06 -0.04 2.99 3.03 2olsA1 ASP 621 H 0.04 0.16 -0.12 -0.55 8.40 7.93 2olsA1 ASP 621 HA 0.05 0.13 0.56 -0.75 4.63 4.62 2olsA1 ASP 621 HB2 -0.03 0.00 -0.01 -0.04 2.71 2.64 2olsA1 ASP 621 HB3 -0.01 0.02 0.01 -0.04 2.70 2.69 2olsA1 CYS 622 H 0.08 0.26 -0.43 -0.55 8.50 7.86 2olsA1 CYS 622 HA -0.04 0.11 0.62 -0.75 4.58 4.52 2olsA1 CYS 622 HB2 0.16 0.24 0.08 -0.04 2.97 3.41 2olsA1 CYS 622 HB3 0.04 -0.05 -0.03 -0.04 2.97 2.89 2olsA1 PHE 623 H 0.26 0.42 0.01 -0.55 8.34 8.48 2olsA1 PHE 623 HA -0.03 -0.02 0.56 -0.75 4.62 4.37 2olsA1 PHE 623 HB2 0.07 0.02 0.18 -0.04 3.15 3.38 2olsA1 PHE 623 HB3 0.04 0.18 0.22 -0.04 3.06 3.46 2olsA1 PHE 623 HD2 -0.26 0.01 -0.03 -0.04 7.28 6.96 2olsA1 PHE 623 HE2 -0.40 -0.01 -0.17 -0.04 7.38 6.76 2olsA1 PHE 623 HZ -0.04 0.02 -0.07 -0.04 7.32 7.19 2olsA1 ALA 624 H 0.12 0.52 -0.15 -0.55 8.40 8.33 2olsA1 ALA 624 HA -0.11 0.07 0.35 -0.75 4.34 3.89 2olsA1 ALA 624 HB3 0.03 0.06 0.09 -0.04 1.41 1.55 2olsA1 LEU 625 H -0.00 0.19 -0.69 -0.55 8.37 7.32 2olsA1 LEU 625 HA 0.02 0.05 0.42 -0.75 4.35 4.09 2olsA1 LEU 625 HB2 0.01 0.19 0.20 -0.04 1.64 2.00 2olsA1 LEU 625 HB3 0.22 -0.04 -0.09 -0.04 1.64 1.69 2olsA1 LEU 625 HG 0.08 -0.03 0.06 -0.04 1.64 1.70 2olsA1 LEU 625 HD13 0.01 0.07 0.02 -0.04 0.93 1.00 2olsA1 LEU 625 HD23 -0.20 -0.02 0.06 -0.04 0.89 0.68 2olsA1 GLU 626 H -0.01 0.39 -0.04 -0.55 8.60 8.39 2olsA1 GLU 626 HA -0.02 0.04 0.59 -0.75 4.29 4.14 2olsA1 GLU 626 HB2 0.05 0.03 0.19 -0.04 2.09 2.32 2olsA1 GLU 626 HB3 -0.23 0.12 0.15 -0.04 1.99 1.99 2olsA1 GLU 626 HG2 -0.11 0.03 0.00 -0.04 2.34 2.22 2olsA1 GLU 626 HG3 -0.05 0.00 0.10 -0.04 2.34 2.35 2olsA1 CYS 627 H -0.33 0.56 -0.14 -0.55 8.50 8.05 2olsA1 CYS 627 HA -0.23 -0.00 0.47 -0.75 4.58 4.07 2olsA1 CYS 627 HB2 -0.26 0.09 0.09 -0.04 2.97 2.85 2olsA1 CYS 627 HB3 -0.18 0.13 -0.04 -0.04 2.97 2.84 2olsA1 LYS 628 H -0.09 0.43 -0.18 -0.55 8.42 8.03 2olsA1 LYS 628 HA -0.04 0.09 0.51 -0.75 4.32 4.13 2olsA1 LYS 628 HB2 -0.02 0.17 0.20 -0.04 1.87 2.18 2olsA1 LYS 628 HB3 -0.01 0.05 0.14 -0.04 1.79 1.93 2olsA1 LYS 628 HG2 -0.00 -0.04 -0.03 -0.04 1.46 1.34 2olsA1 LYS 628 HG3 -0.01 0.03 0.06 -0.04 1.46 1.50 2olsA1 LYS 628 HD2 0.01 0.01 -0.00 -0.04 1.69 1.67 2olsA1 LYS 628 HD3 0.02 -0.04 -0.00 -0.04 1.68 1.61 2olsA1 LYS 628 HE2 0.01 0.01 -0.01 -0.04 2.99 2.96 2olsA1 LYS 628 HE3 0.02 -0.07 -0.03 -0.04 2.99 2.88 2olsA1 ALA 629 H -0.05 0.33 -0.28 -0.55 8.40 7.86 2olsA1 ALA 629 HA -0.03 0.03 0.45 -0.75 4.34 4.03 2olsA1 ALA 629 HB3 -0.06 0.02 0.13 -0.04 1.41 1.46 2olsA1 LEU 630 H -0.07 0.46 -0.04 -0.55 8.37 8.16 2olsA1 LEU 630 HA -0.04 0.02 0.39 -0.75 4.35 3.96 2olsA1 LEU 630 HB2 -0.07 0.08 0.08 -0.04 1.64 1.69 2olsA1 LEU 630 HB3 -0.04 0.01 -0.04 -0.04 1.64 1.53 2olsA1 LEU 630 HG -0.09 0.25 0.09 -0.04 1.64 1.84 2olsA1 LEU 630 HD13 -0.07 -0.03 -0.07 -0.04 0.93 0.72 2olsA1 LEU 630 HD23 -0.05 -0.02 -0.07 -0.04 0.89 0.70 2olsA1 LYS 631 H -0.05 0.56 -0.24 -0.55 8.42 8.14 2olsA1 LYS 631 HA -0.01 0.04 0.42 -0.75 4.32 4.01 2olsA1 LYS 631 HB2 -0.03 0.14 0.10 -0.04 1.87 2.03 2olsA1 LYS 631 HB3 -0.02 0.04 0.11 -0.04 1.79 1.88 2olsA1 LYS 631 HG2 -0.01 -0.11 -0.08 -0.04 1.46 1.23 2olsA1 LYS 631 HG3 -0.01 0.04 0.01 -0.04 1.46 1.47 2olsA1 LYS 631 HD2 -0.02 0.22 0.00 -0.04 1.69 1.86 2olsA1 LYS 631 HD3 -0.01 -0.08 -0.03 -0.04 1.68 1.52 2olsA1 LYS 631 HE2 -0.00 0.25 0.09 -0.04 2.99 3.29 2olsA1 LYS 631 HE3 -0.00 -0.08 -0.02 -0.04 2.99 2.85 2olsA1 ARG 632 H -0.02 0.48 -0.18 -0.55 8.46 8.18 2olsA1 ARG 632 HA -0.00 0.01 0.48 -0.75 4.34 4.07 2olsA1 ARG 632 HB2 -0.01 0.07 0.14 -0.04 1.90 2.06 2olsA1 ARG 632 HB3 -0.01 0.13 0.16 -0.04 1.80 2.04 2olsA1 ARG 632 HG2 -0.00 -0.01 -0.28 -0.04 1.67 1.34 2olsA1 ARG 632 HG3 0.00 -0.03 0.02 -0.04 1.67 1.61 2olsA1 ARG 632 HD2 0.00 0.01 -0.04 -0.04 3.22 3.15 2olsA1 ARG 632 HD3 0.01 -0.02 -0.05 -0.04 3.22 3.11 2olsA1 VAL 633 H -0.02 0.50 -0.14 -0.55 8.24 8.04 2olsA1 VAL 633 HA -0.01 0.00 0.45 -0.75 4.13 3.82 2olsA1 VAL 633 HB -0.02 0.15 0.13 -0.04 2.12 2.34 2olsA1 VAL 633 HG13 -0.01 0.00 -0.14 -0.04 0.97 0.77 2olsA1 VAL 633 HG23 -0.03 0.07 0.08 -0.04 0.95 1.03 2olsA1 ARG 634 H -0.00 0.45 -0.23 -0.55 8.46 8.12 2olsA1 ARG 634 HA 0.03 0.04 0.37 -0.75 4.34 4.02 2olsA1 ARG 634 HB2 0.01 0.02 0.10 -0.04 1.90 1.99 2olsA1 ARG 634 HB3 0.02 0.03 -0.08 -0.04 1.80 1.73 2olsA1 ARG 634 HG2 0.02 0.12 -0.07 -0.04 1.67 1.69 2olsA1 ARG 634 HG3 0.00 0.05 -0.01 -0.04 1.67 1.67 2olsA1 ARG 634 HD2 0.01 -0.06 -0.09 -0.04 3.22 3.03 2olsA1 ARG 634 HD3 0.01 -0.08 -0.05 -0.04 3.22 3.06 2olsA1 ASP 635 H 0.01 0.72 0.09 -0.55 8.40 8.67 2olsA1 ASP 635 HA 0.01 0.10 0.34 -0.75 4.63 4.33 2olsA1 ASP 635 HB2 0.00 0.11 0.09 -0.04 2.71 2.88 2olsA1 ASP 635 HB3 0.01 -0.07 0.07 -0.04 2.70 2.67 2olsA1 GLU 636 H 0.01 0.36 -0.03 -0.55 8.60 8.39 2olsA1 GLU 636 HA 0.01 0.20 1.01 -0.75 4.29 4.76 2olsA1 GLU 636 HB2 0.00 0.05 0.21 -0.04 2.09 2.31 2olsA1 GLU 636 HB3 0.00 -0.01 -0.04 -0.04 1.99 1.90 2olsA1 GLU 636 HG2 0.00 -0.04 0.02 -0.04 2.34 2.28 2olsA1 GLU 636 HG3 0.00 0.09 -0.02 -0.04 2.34 2.37 2olsA1 MET 637 H 0.01 0.49 0.15 -0.55 8.47 8.57 2olsA1 MET 637 HA 0.01 0.23 0.56 -0.75 4.52 4.56 2olsA1 MET 637 HB2 0.00 0.17 0.23 -0.04 2.15 2.52 2olsA1 MET 637 HB3 0.01 -0.04 0.11 -0.04 2.03 2.06 2olsA1 MET 637 HG2 0.01 0.11 -0.05 -0.04 2.63 2.66 2olsA1 MET 637 HG3 0.00 -0.03 -0.06 -0.04 2.56 2.42 2olsA1 MET 637 HE3 -0.00 -0.03 -0.12 -0.04 2.10 1.90 2olsA1 GLY 638 H 0.03 0.07 -0.63 -0.55 8.43 7.36 2olsA1 GLY 638 HA2 0.05 0.13 0.21 -0.51 4.01 3.89 2olsA1 GLY 638 HA3 0.05 0.04 0.25 -0.51 4.01 3.85 2olsA1 LEU 639 H 0.04 0.55 -0.15 -0.55 8.37 8.26 2olsA1 LEU 639 HA 0.19 0.11 0.68 -0.75 4.35 4.57 2olsA1 LEU 639 HB2 0.01 0.10 0.06 -0.04 1.64 1.78 2olsA1 LEU 639 HB3 0.05 -0.11 0.04 -0.04 1.64 1.58 2olsA1 LEU 639 HG -0.01 0.17 -0.20 -0.04 1.64 1.55 2olsA1 LEU 639 HD13 -0.12 -0.02 0.02 -0.04 0.93 0.77 2olsA1 LEU 639 HD23 -0.15 0.00 -0.11 -0.04 0.89 0.59 2olsA1 THR 640 H 0.17 0.46 -0.16 -0.55 8.28 8.20 2olsA1 THR 640 HA 0.05 0.09 0.21 -0.75 4.39 3.98 2olsA1 THR 640 HB 0.04 0.03 0.08 -0.04 4.32 4.42 2olsA1 THR 640 HG23 0.05 -0.00 -0.06 -0.04 1.22 1.18 2olsA1 ASN 641 H 0.12 0.06 -0.49 -0.55 8.53 7.66 2olsA1 ASN 641 HA -0.01 0.11 0.42 -0.75 4.76 4.52 2olsA1 ASN 641 HB2 -0.03 0.11 -0.37 -0.04 2.88 2.55 2olsA1 ASN 641 HB3 -0.08 0.08 -0.17 -0.04 2.79 2.58 2olsA1 ASN 641 HD21 0.14 0.20 -0.03 -0.04 7.03 7.30 2olsA1 ASN 641 HD22 0.04 0.75 -0.15 -0.04 7.74 8.33 2olsA1 VAL 642 H 0.03 0.28 -0.35 -0.55 8.24 7.66 2olsA1 VAL 642 HA -0.01 0.27 0.80 -0.75 4.13 4.44 2olsA1 VAL 642 HB 0.01 0.11 0.08 -0.04 2.12 2.28 2olsA1 VAL 642 HG13 -0.01 -0.05 -0.21 -0.04 0.97 0.67 2olsA1 VAL 642 HG23 0.00 -0.03 -0.02 -0.04 0.95 0.86 2olsA1 GLU 643 H -0.02 0.51 0.37 -0.55 8.60 8.91 2olsA1 GLU 643 HA -0.00 0.20 0.82 -0.75 4.29 4.55 2olsA1 GLU 643 HB2 -0.06 -0.15 -0.06 -0.04 2.09 1.78 2olsA1 GLU 643 HB3 -0.02 0.01 -0.06 -0.04 1.99 1.87 2olsA1 GLU 643 HG2 -0.04 0.09 -0.13 -0.04 2.34 2.23 2olsA1 GLU 643 HG3 -0.06 0.10 -0.22 -0.04 2.34 2.11 2olsA1 ILE 644 H 0.04 0.57 0.29 -0.55 8.25 8.59 2olsA1 ILE 644 HA 0.02 0.24 0.94 -0.75 4.18 4.62 2olsA1 ILE 644 HB 0.07 -0.02 0.12 -0.04 1.89 2.02 2olsA1 ILE 644 HG12 -0.00 0.01 -0.11 -0.04 1.49 1.35 2olsA1 ILE 644 HG13 0.01 0.05 -0.22 -0.04 1.21 1.01 2olsA1 ILE 644 HG23 0.06 -0.02 -0.15 -0.04 0.93 0.77 2olsA1 ILE 644 HD13 -0.00 -0.01 -0.11 -0.04 0.88 0.72 2olsA1 MET 645 H 0.04 0.77 0.15 -0.55 8.47 8.87 2olsA1 MET 645 HA 0.07 0.40 0.93 -0.75 4.52 5.17 2olsA1 MET 645 HB2 0.03 0.02 -0.28 -0.04 2.15 1.89 2olsA1 MET 645 HB3 0.03 0.01 -0.33 -0.04 2.03 1.70 2olsA1 MET 645 HG2 0.02 -0.10 -0.44 -0.04 2.63 2.07 2olsA1 MET 645 HG3 -0.01 -0.05 -0.38 -0.04 2.56 2.08 2olsA1 MET 645 HE3 0.00 -0.03 -0.14 -0.04 2.10 1.88 2olsA1 ILE 646 H 0.03 0.59 0.34 -0.55 8.25 8.66 2olsA1 ILE 646 HA 0.22 0.16 0.86 -0.75 4.18 4.67 2olsA1 ILE 646 HB 0.14 -0.03 0.16 -0.04 1.89 2.12 2olsA1 ILE 646 HG12 0.27 0.09 -0.19 -0.04 1.49 1.62 2olsA1 ILE 646 HG13 0.39 0.01 -0.09 -0.04 1.21 1.48 2olsA1 ILE 646 HG23 0.26 -0.01 -0.11 -0.04 0.93 1.04 2olsA1 ILE 646 HD13 0.27 0.03 -0.16 -0.04 0.88 0.98 2olsA1 PRO 647 HA -0.03 0.13 0.89 -0.51 4.44 4.92 2olsA1 PRO 647 HB2 0.09 -0.02 -0.01 -0.04 2.28 2.30 2olsA1 PRO 647 HB3 0.04 0.03 -0.01 -0.04 2.02 2.05 2olsA1 PRO 647 HG2 0.07 -0.03 -0.11 -0.04 2.03 1.92 2olsA1 PRO 647 HG3 0.11 0.21 -0.15 -0.04 2.03 2.15 2olsA1 PRO 647 HD2 0.32 0.05 0.11 -0.04 3.68 4.13 2olsA1 PRO 647 HD3 0.20 0.27 0.13 -0.04 3.65 4.20 2olsA1 PHE 648 H 0.04 0.13 0.12 -0.55 8.34 8.07 2olsA1 PHE 648 HA -0.13 0.02 0.28 -0.75 4.62 4.04 2olsA1 PHE 648 HB2 -0.12 -0.03 -0.20 -0.04 3.15 2.76 2olsA1 PHE 648 HB3 -0.15 0.01 0.17 -0.04 3.06 3.05 2olsA1 PHE 648 HD2 -0.08 -0.05 -0.01 -0.04 7.28 7.10 2olsA1 PHE 648 HE2 -0.04 -0.01 -0.00 -0.04 7.38 7.29 2olsA1 PHE 648 HZ -0.03 0.06 0.04 -0.04 7.32 7.35 2olsA1 VAL 649 H -0.23 0.21 -0.11 -0.55 8.24 7.56 2olsA1 VAL 649 HA -0.03 0.03 0.78 -0.75 4.13 4.15 2olsA1 VAL 649 HB -0.22 0.04 0.09 -0.04 2.12 1.99 2olsA1 VAL 649 HG13 0.20 0.02 -0.13 -0.04 0.97 1.03 2olsA1 VAL 649 HG23 -0.03 0.02 -0.23 -0.04 0.95 0.68 2olsA1 ARG 650 H -0.00 0.14 0.12 -0.55 8.46 8.16 2olsA1 ARG 650 HA -0.12 0.05 0.26 -0.75 4.34 3.77 2olsA1 ARG 650 HB2 0.02 -0.04 0.12 -0.04 1.90 1.97 2olsA1 ARG 650 HB3 0.01 0.04 0.01 -0.04 1.80 1.82 2olsA1 ARG 650 HG2 -0.14 -0.04 -0.08 -0.04 1.67 1.37 2olsA1 ARG 650 HG3 0.04 0.06 -0.03 -0.04 1.67 1.70 2olsA1 ARG 650 HD2 0.06 -0.00 0.01 -0.04 3.22 3.24 2olsA1 ARG 650 HD3 0.13 0.04 -0.00 -0.04 3.22 3.34 2olsA1 THR 651 H 0.12 0.03 0.05 -0.55 8.28 7.94 2olsA1 THR 651 HA 0.18 0.31 0.86 -0.75 4.39 4.98 2olsA1 THR 651 HB 0.02 0.04 0.11 -0.04 4.32 4.44 2olsA1 THR 651 HG23 0.04 0.04 -0.16 -0.04 1.22 1.10 2olsA1 LEU 652 H -0.15 0.25 0.13 -0.55 8.37 8.05 2olsA1 LEU 652 HA -0.31 0.14 0.48 -0.75 4.35 3.91 2olsA1 LEU 652 HB2 -0.12 -0.02 0.07 -0.04 1.64 1.53 2olsA1 LEU 652 HB3 -0.08 0.11 0.02 -0.04 1.64 1.65 2olsA1 LEU 652 HG -0.49 -0.05 0.03 -0.04 1.64 1.08 2olsA1 LEU 652 HD13 -0.09 0.02 -0.02 -0.04 0.93 0.81 2olsA1 LEU 652 HD23 -0.68 0.03 -0.18 -0.04 0.89 0.02 2olsA1 GLY 653 H -0.05 0.05 -0.18 -0.55 8.43 7.71 2olsA1 GLY 653 HA2 -0.05 0.17 0.49 -0.51 4.01 4.12 2olsA1 GLY 653 HA3 -0.02 0.07 0.23 -0.51 4.01 3.78 2olsA1 GLU 654 H -0.00 0.00 -0.21 -0.55 8.60 7.85 2olsA1 GLU 654 HA -0.02 0.13 0.56 -0.75 4.29 4.21 2olsA1 GLU 654 HB2 0.05 -0.03 0.15 -0.04 2.09 2.23 2olsA1 GLU 654 HB3 0.01 0.04 -0.04 -0.04 1.99 1.96 2olsA1 GLU 654 HG2 -0.01 0.11 -0.02 -0.04 2.34 2.37 2olsA1 GLU 654 HG3 0.01 -0.01 0.03 -0.04 2.34 2.34 2olsA1 ALA 655 H 0.02 0.43 -0.08 -0.55 8.40 8.23 2olsA1 ALA 655 HA 0.09 0.02 0.42 -0.75 4.34 4.12 2olsA1 ALA 655 HB3 -0.12 0.05 0.09 -0.04 1.41 1.39 2olsA1 GLU 656 H -0.35 0.39 -0.32 -0.55 8.60 7.78 2olsA1 GLU 656 HA -0.22 0.09 0.35 -0.75 4.29 3.75 2olsA1 GLU 656 HB2 -0.21 0.08 0.13 -0.04 2.09 2.05 2olsA1 GLU 656 HB3 -0.09 0.05 0.15 -0.04 1.99 2.06 2olsA1 GLU 656 HG2 0.02 -0.01 -0.19 -0.04 2.34 2.12 2olsA1 GLU 656 HG3 0.10 0.01 0.04 -0.04 2.34 2.45 2olsA1 ALA 657 H -0.06 0.46 -0.11 -0.55 8.40 8.14 2olsA1 ALA 657 HA 0.00 0.04 0.54 -0.75 4.34 4.17 2olsA1 ALA 657 HB3 -0.01 0.00 0.11 -0.04 1.41 1.47 2olsA1 VAL 658 H -0.01 0.61 -0.16 -0.55 8.24 8.13 2olsA1 VAL 658 HA 0.01 0.03 0.49 -0.75 4.13 3.90 2olsA1 VAL 658 HB 0.11 0.13 0.11 -0.04 2.12 2.42 2olsA1 VAL 658 HG13 0.19 -0.01 -0.07 -0.04 0.97 1.04 2olsA1 VAL 658 HG23 0.03 0.06 0.01 -0.04 0.95 1.01 2olsA1 VAL 659 H -0.01 0.54 -0.04 -0.55 8.24 8.18 2olsA1 VAL 659 HA 0.06 0.05 0.45 -0.75 4.13 3.93 2olsA1 VAL 659 HB -0.01 -0.00 0.15 -0.04 2.12 2.22 2olsA1 VAL 659 HG13 -0.10 0.08 0.12 -0.04 0.97 1.02 2olsA1 VAL 659 HG23 0.05 0.01 -0.02 -0.04 0.95 0.95 2olsA1 LYS 660 H 0.03 0.34 -0.35 -0.55 8.42 7.89 2olsA1 LYS 660 HA 0.05 0.05 0.53 -0.75 4.32 4.19 2olsA1 LYS 660 HB2 0.03 0.01 0.11 -0.04 1.87 1.99 2olsA1 LYS 660 HB3 0.03 0.09 0.18 -0.04 1.79 2.05 2olsA1 LYS 660 HG2 0.04 0.01 -0.23 -0.04 1.46 1.25 2olsA1 LYS 660 HG3 0.04 -0.03 0.05 -0.04 1.46 1.48 2olsA1 LYS 660 HD2 0.03 -0.01 0.00 -0.04 1.69 1.67 2olsA1 LYS 660 HD3 0.03 -0.02 -0.00 -0.04 1.68 1.64 2olsA1 LYS 660 HE2 0.03 0.00 -0.03 -0.04 2.99 2.96 2olsA1 LYS 660 HE3 0.03 0.00 -0.01 -0.04 2.99 2.97 2olsA1 ALA 661 H 0.07 0.42 -0.19 -0.55 8.40 8.16 2olsA1 ALA 661 HA 0.12 0.02 0.53 -0.75 4.34 4.26 2olsA1 ALA 661 HB3 0.14 0.02 0.06 -0.04 1.41 1.59 2olsA1 LEU 662 H 0.17 0.63 -0.04 -0.55 8.37 8.59 2olsA1 LEU 662 HA 0.13 -0.02 0.44 -0.75 4.35 4.15 2olsA1 LEU 662 HB2 0.11 0.07 0.19 -0.04 1.64 1.96 2olsA1 LEU 662 HB3 0.08 0.13 0.01 -0.04 1.64 1.82 2olsA1 LEU 662 HG 0.33 0.02 0.02 -0.04 1.64 1.96 2olsA1 LEU 662 HD13 0.16 -0.03 -0.12 -0.04 0.93 0.90 2olsA1 LEU 662 HD23 0.09 -0.02 -0.05 -0.04 0.89 0.87 2olsA1 LYS 663 H 0.07 0.43 -0.23 -0.55 8.42 8.15 2olsA1 LYS 663 HA 0.04 0.05 0.19 -0.75 4.32 3.84 2olsA1 LYS 663 HB2 0.04 0.08 0.13 -0.04 1.87 2.09 2olsA1 LYS 663 HB3 0.05 0.07 0.14 -0.04 1.79 2.01 2olsA1 LYS 663 HG2 0.03 -0.01 -0.23 -0.04 1.46 1.20 2olsA1 LYS 663 HG3 0.03 -0.04 -0.04 -0.04 1.46 1.36 2olsA1 LYS 663 HD2 0.03 0.01 -0.02 -0.04 1.69 1.66 2olsA1 LYS 663 HD3 0.03 -0.02 -0.02 -0.04 1.68 1.63 2olsA1 LYS 663 HE2 0.02 -0.01 -0.06 -0.04 2.99 2.90 2olsA1 LYS 663 HE3 0.02 0.00 -0.05 -0.04 2.99 2.92 2olsA1 GLU 664 H 0.07 0.45 -0.24 -0.55 8.60 8.33 2olsA1 GLU 664 HA 0.04 -0.00 0.47 -0.75 4.29 4.04 2olsA1 GLU 664 HB2 0.08 0.13 0.16 -0.04 2.09 2.42 2olsA1 GLU 664 HB3 0.06 -0.07 -0.02 -0.04 1.99 1.92 2olsA1 GLU 664 HG2 0.04 -0.07 0.06 -0.04 2.34 2.33 2olsA1 GLU 664 HG3 0.05 0.07 0.09 -0.04 2.34 2.50 2olsA1 ASN 665 H 0.05 0.37 -0.51 -0.55 8.53 7.90 2olsA1 ASN 665 HA 0.01 0.07 0.67 -0.75 4.76 4.76 2olsA1 ASN 665 HB2 -0.02 0.09 0.14 -0.04 2.88 3.04 2olsA1 ASN 665 HB3 -0.07 -0.08 0.14 -0.04 2.79 2.74 2olsA1 ASN 665 HD21 0.03 -0.09 -0.02 -0.04 7.03 6.91 2olsA1 ASN 665 HD22 0.00 0.06 0.02 -0.04 7.74 7.78 2olsA1 GLY 666 H 0.02 0.44 -0.49 -0.55 8.43 7.86 2olsA1 GLY 666 HA2 0.01 0.01 0.24 -0.51 4.01 3.76 2olsA1 GLY 666 HA3 0.00 0.01 0.26 -0.51 4.01 3.77 2olsA1 LEU 667 H 0.02 0.56 -0.29 -0.55 8.37 8.11 2olsA1 LEU 667 HA 0.01 0.18 0.88 -0.75 4.35 4.66 2olsA1 LEU 667 HB2 0.01 -0.04 -0.01 -0.04 1.64 1.56 2olsA1 LEU 667 HB3 0.02 -0.05 -0.13 -0.04 1.64 1.43 2olsA1 LEU 667 HG -0.03 0.14 -0.28 -0.04 1.64 1.43 2olsA1 LEU 667 HD13 -0.07 -0.03 -0.04 -0.04 0.93 0.76 2olsA1 LEU 667 HD23 -0.01 0.01 -0.10 -0.04 0.89 0.75 2olsA1 GLU 668 H 0.02 0.29 0.04 -0.55 8.60 8.41 2olsA1 GLU 668 HA 0.03 0.14 0.83 -0.75 4.29 4.54 2olsA1 GLU 668 HB2 0.02 -0.05 -0.13 -0.04 2.09 1.89 2olsA1 GLU 668 HB3 0.02 0.04 -0.01 -0.04 1.99 2.00 2olsA1 GLU 668 HG2 0.02 0.06 -0.38 -0.04 2.34 2.00 2olsA1 GLU 668 HG3 0.02 -0.00 -0.33 -0.04 2.34 1.99 2olsA1 ARG 669 H 0.02 0.12 0.07 -0.55 8.46 8.12 2olsA1 ARG 669 HA 0.02 0.19 0.43 -0.75 4.34 4.23 2olsA1 ARG 669 HB2 0.01 -0.03 0.13 -0.04 1.90 1.97 2olsA1 ARG 669 HB3 0.02 0.07 0.02 -0.04 1.80 1.87 2olsA1 ARG 669 HG2 0.04 -0.03 -0.04 -0.04 1.67 1.61 2olsA1 ARG 669 HG3 0.02 0.00 0.06 -0.04 1.67 1.71 2olsA1 ARG 669 HD2 0.04 0.05 0.03 -0.04 3.22 3.30 2olsA1 ARG 669 HD3 0.08 -0.13 0.11 -0.04 3.22 3.23 2olsA1 GLY 670 H 0.02 0.50 0.13 -0.55 8.43 8.53 2olsA1 GLY 670 HA2 0.01 0.02 0.32 -0.51 4.01 3.85 2olsA1 GLY 670 HA3 0.01 0.12 0.53 -0.51 4.01 4.15 2olsA1 LYS 671 H 0.01 0.50 -0.51 -0.55 8.42 7.87 2olsA1 LYS 671 HA 0.01 0.03 0.65 -0.75 4.32 4.26 2olsA1 LYS 671 HB2 0.01 -0.00 0.01 -0.04 1.87 1.85 2olsA1 LYS 671 HB3 0.01 0.02 0.14 -0.04 1.79 1.92 2olsA1 LYS 671 HG2 0.01 0.04 -0.11 -0.04 1.46 1.35 2olsA1 LYS 671 HG3 0.01 -0.04 0.03 -0.04 1.46 1.42 2olsA1 LYS 671 HD2 0.01 -0.04 -0.05 -0.04 1.69 1.57 2olsA1 LYS 671 HD3 0.01 -0.00 -0.08 -0.04 1.68 1.56 2olsA1 LYS 671 HE2 0.01 0.02 -0.01 -0.04 2.99 2.97 2olsA1 LYS 671 HE3 0.01 -0.05 -0.01 -0.04 2.99 2.89 2olsA1 ASN 672 H 0.01 0.15 0.19 -0.55 8.53 8.33 2olsA1 ASN 672 HA 0.01 0.03 0.32 -0.75 4.76 4.37 2olsA1 ASN 672 HB2 0.01 -0.04 0.02 -0.04 2.88 2.83 2olsA1 ASN 672 HB3 0.01 0.11 0.03 -0.04 2.79 2.90 2olsA1 ASN 672 HD21 0.02 0.15 -0.12 -0.04 7.03 7.04 2olsA1 ASN 672 HD22 0.01 -0.06 -0.13 -0.04 7.74 7.52 2olsA1 GLY 673 H 0.01 0.20 -0.53 -0.55 8.43 7.57 2olsA1 GLY 673 HA2 0.01 -0.01 0.18 -0.51 4.01 3.68 2olsA1 GLY 673 HA3 0.01 0.09 0.28 -0.51 4.01 3.88 2olsA1 LEU 674 H 0.01 0.46 -0.53 -0.55 8.37 7.76 2olsA1 LEU 674 HA 0.01 0.13 0.21 -0.75 4.35 3.94 2olsA1 LEU 674 HB2 0.02 0.10 0.02 -0.04 1.64 1.74 2olsA1 LEU 674 HB3 0.02 0.09 -0.04 -0.04 1.64 1.67 2olsA1 LEU 674 HG 0.04 -0.08 -0.52 -0.04 1.64 1.04 2olsA1 LEU 674 HD13 0.02 -0.01 -0.02 -0.04 0.93 0.88 2olsA1 LEU 674 HD23 0.03 -0.05 -0.36 -0.04 0.89 0.47 2olsA1 ARG 675 H 0.01 0.26 0.24 -0.55 8.46 8.42 2olsA1 ARG 675 HA 0.04 0.11 0.90 -0.75 4.34 4.63 2olsA1 ARG 675 HB2 -0.01 0.03 0.10 -0.04 1.90 1.98 2olsA1 ARG 675 HB3 0.00 -0.07 -0.06 -0.04 1.80 1.64 2olsA1 ARG 675 HG2 0.01 -0.03 0.03 -0.04 1.67 1.64 2olsA1 ARG 675 HG3 0.00 0.21 -0.19 -0.04 1.67 1.66 2olsA1 ARG 675 HD2 -0.02 0.02 -0.02 -0.04 3.22 3.16 2olsA1 ARG 675 HD3 -0.03 0.05 -0.04 -0.04 3.22 3.16 2olsA1 LEU 676 H 0.10 0.20 0.16 -0.55 8.37 8.29 2olsA1 LEU 676 HA 0.14 0.29 0.93 -0.75 4.35 4.96 2olsA1 LEU 676 HB2 0.10 -0.03 -0.10 -0.04 1.64 1.57 2olsA1 LEU 676 HB3 0.19 -0.00 0.18 -0.04 1.64 1.96 2olsA1 LEU 676 HG 0.41 -0.00 -0.10 -0.04 1.64 1.90 2olsA1 LEU 676 HD13 0.15 0.03 -0.07 -0.04 0.93 1.00 2olsA1 LEU 676 HD23 0.02 0.02 -0.02 -0.04 0.89 0.87 2olsA1 ILE 677 H 0.15 0.72 0.32 -0.55 8.25 8.90 2olsA1 ILE 677 HA 0.19 0.24 0.76 -0.75 4.18 4.62 2olsA1 ILE 677 HB 0.06 -0.08 -0.20 -0.04 1.89 1.63 2olsA1 ILE 677 HG12 0.02 -0.03 -0.44 -0.04 1.49 1.01 2olsA1 ILE 677 HG13 -0.07 0.02 -0.32 -0.04 1.21 0.79 2olsA1 ILE 677 HG23 0.17 0.01 -0.47 -0.04 0.93 0.60 2olsA1 ILE 677 HD13 0.10 0.02 -0.39 -0.04 0.88 0.57 2olsA1 MET 678 H -0.04 0.63 0.34 -0.55 8.47 8.85 2olsA1 MET 678 HA -0.48 0.13 0.98 -0.75 4.52 4.40 2olsA1 MET 678 HB2 -1.63 0.08 0.03 -0.04 2.15 0.58 2olsA1 MET 678 HB3 -0.54 -0.05 -0.03 -0.04 2.03 1.37 2olsA1 MET 678 HG2 -0.54 0.09 -0.05 -0.04 2.63 2.10 2olsA1 MET 678 HG3 -0.86 -0.01 0.03 -0.04 2.56 1.68 2olsA1 MET 678 HE3 -0.99 -0.01 -0.10 -0.04 2.10 0.97 2olsA1 MET 679 H -0.16 0.56 0.18 -0.55 8.47 8.51 2olsA1 MET 679 HA -0.11 0.32 0.98 -0.75 4.52 4.95 2olsA1 MET 679 HB2 -0.04 0.04 -0.02 -0.04 2.15 2.09 2olsA1 MET 679 HB3 -0.09 -0.21 0.19 -0.04 2.03 1.87 2olsA1 MET 679 HG2 -0.08 -0.17 -0.18 -0.04 2.63 2.16 2olsA1 MET 679 HG3 -0.07 0.33 0.02 -0.04 2.56 2.80 2olsA1 MET 679 HE3 0.02 -0.03 -0.03 -0.04 2.10 2.02 2olsA1 CYS 680 H -0.23 0.67 0.14 -0.55 8.50 8.53 2olsA1 CYS 680 HA -0.59 0.06 0.62 -0.75 4.58 3.93 2olsA1 CYS 680 HB2 -0.97 0.11 -0.04 -0.04 2.97 2.03 2olsA1 CYS 680 HB3 -0.25 -0.05 0.07 -0.04 2.97 2.71 2olsA1 GLU 681 H -0.34 0.11 0.17 -0.55 8.60 7.99 2olsA1 GLU 681 HA -0.13 0.28 1.03 -0.75 4.29 4.72 2olsA1 GLU 681 HB2 -0.09 -0.05 0.04 -0.04 2.09 1.95 2olsA1 GLU 681 HB3 -0.08 -0.05 -0.06 -0.04 1.99 1.76 2olsA1 GLU 681 HG2 -0.21 0.18 -0.13 -0.04 2.34 2.14 2olsA1 GLU 681 HG3 -0.35 0.02 -0.05 -0.04 2.34 1.92 2olsA1 LEU 682 H -0.34 0.02 0.17 -0.55 8.37 7.67 2olsA1 LEU 682 HA -0.23 0.31 0.87 -0.75 4.35 4.55 2olsA1 LEU 682 HB2 -0.32 -0.03 0.10 -0.04 1.64 1.35 2olsA1 LEU 682 HB3 -0.23 0.04 0.12 -0.04 1.64 1.54 2olsA1 LEU 682 HG -0.74 0.06 -0.14 -0.04 1.64 0.78 2olsA1 LEU 682 HD13 -0.65 -0.00 -0.16 -0.04 0.93 0.07 2olsA1 LEU 682 HD23 -0.50 0.03 -0.03 -0.04 0.89 0.35 2olsA1 PRO 683 HA -0.05 0.11 0.51 -0.51 4.44 4.51 2olsA1 PRO 683 HB2 -0.02 0.03 0.02 -0.04 2.28 2.26 2olsA1 PRO 683 HB3 -0.02 0.10 0.08 -0.04 2.02 2.14 2olsA1 PRO 683 HG2 -0.03 0.16 -0.06 -0.04 2.03 2.06 2olsA1 PRO 683 HG3 -0.04 0.09 -0.03 -0.04 2.03 2.01 2olsA1 PRO 683 HD2 -0.09 0.09 0.20 -0.04 3.68 3.85 2olsA1 PRO 683 HD3 -0.09 0.20 0.21 -0.04 3.65 3.93 2olsA1 SER 684 H -0.06 0.14 -0.20 -0.55 8.46 7.79 2olsA1 SER 684 HA 0.06 0.09 0.49 -0.75 4.49 4.37 2olsA1 SER 684 HB2 0.18 0.02 0.04 -0.04 3.95 4.16 2olsA1 SER 684 HB3 0.04 0.01 0.10 -0.04 3.93 4.04 2olsA1 ASN 685 H -0.19 0.17 -0.32 -0.55 8.53 7.64 2olsA1 ASN 685 HA -0.49 0.10 0.35 -0.75 4.76 3.97 2olsA1 ASN 685 HB2 -0.36 0.16 0.07 -0.04 2.88 2.72 2olsA1 ASN 685 HB3 -0.63 0.05 0.01 -0.04 2.79 2.18 2olsA1 ASN 685 HD21 -0.83 0.60 0.11 -0.04 7.03 6.86 2olsA1 ASN 685 HD22 -1.62 -0.03 -0.12 -0.04 7.74 5.93 2olsA1 ALA 686 H -0.05 0.21 -0.36 -0.55 8.40 7.66 2olsA1 ALA 686 HA 0.07 0.12 0.47 -0.75 4.34 4.24 2olsA1 ALA 686 HB3 0.02 0.04 0.10 -0.04 1.41 1.52 2olsA1 VAL 687 H 0.06 0.38 0.04 -0.55 8.24 8.17 2olsA1 VAL 687 HA 0.07 0.14 0.43 -0.75 4.13 4.02 2olsA1 VAL 687 HB 0.05 0.00 0.11 -0.04 2.12 2.24 2olsA1 VAL 687 HG13 0.04 0.02 0.02 -0.04 0.97 1.01 2olsA1 VAL 687 HG23 0.06 0.01 -0.01 -0.04 0.95 0.96 2olsA1 LEU 688 H 0.18 0.42 -0.39 -0.55 8.37 8.03 2olsA1 LEU 688 HA 0.10 0.17 0.79 -0.75 4.35 4.66 2olsA1 LEU 688 HB2 0.29 0.15 0.09 -0.04 1.64 2.13 2olsA1 LEU 688 HB3 0.01 -0.14 0.18 -0.04 1.64 1.66 2olsA1 LEU 688 HG 0.10 0.01 -0.06 -0.04 1.64 1.64 2olsA1 LEU 688 HD13 -0.05 -0.02 0.01 -0.04 0.93 0.83 2olsA1 LEU 688 HD23 0.03 0.04 -0.04 -0.04 0.89 0.88 2olsA1 ALA 689 H 0.17 0.40 -0.51 -0.55 8.40 7.92 2olsA1 ALA 689 HA 0.44 0.20 0.37 -0.75 4.34 4.59 2olsA1 ALA 689 HB3 0.19 0.02 0.09 -0.04 1.41 1.68 2olsA1 GLU 690 H 0.11 0.12 -0.21 -0.55 8.60 8.07 2olsA1 GLU 690 HA 0.04 0.16 0.21 -0.75 4.29 3.94 2olsA1 GLU 690 HB2 0.04 -0.04 -0.01 -0.04 2.09 2.03 2olsA1 GLU 690 HB3 0.01 0.08 0.03 -0.04 1.99 2.08 2olsA1 GLU 690 HG2 0.03 -0.00 0.04 -0.04 2.34 2.36 2olsA1 GLU 690 HG3 0.04 -0.02 0.03 -0.04 2.34 2.35 2olsA1 GLN 691 H 0.11 0.11 -0.34 -0.55 8.47 7.79 2olsA1 GLN 691 HA 0.02 0.11 0.42 -0.75 4.36 4.15 2olsA1 GLN 691 HB2 -0.02 0.07 0.12 -0.04 2.15 2.28 2olsA1 GLN 691 HB3 -0.03 -0.04 0.04 -0.04 2.02 1.94 2olsA1 GLN 691 HG2 -0.01 -0.01 0.02 -0.04 2.40 2.36 2olsA1 GLN 691 HG3 0.01 0.04 -0.04 -0.04 2.39 2.36 2olsA1 GLN 691 HE21 0.03 0.07 0.05 -0.04 6.97 7.08 2olsA1 GLN 691 HE22 0.01 -0.00 0.02 -0.04 7.69 7.67 2olsA1 PHE 692 H 0.29 0.63 -0.00 -0.55 8.34 8.71 2olsA1 PHE 692 HA 0.39 -0.05 0.48 -0.75 4.62 4.69 2olsA1 PHE 692 HB2 0.31 0.21 0.08 -0.04 3.15 3.70 2olsA1 PHE 692 HB3 0.35 -0.04 -0.11 -0.04 3.06 3.22 2olsA1 PHE 692 HD2 0.15 0.10 -0.10 -0.04 7.28 7.38 2olsA1 PHE 692 HE2 0.00 0.02 -0.42 -0.04 7.38 6.95 2olsA1 PHE 692 HZ -0.02 -0.01 -0.54 -0.04 7.32 6.71 2olsA1 LEU 693 H 0.36 0.51 -0.25 -0.55 8.37 8.45 2olsA1 LEU 693 HA 0.36 -0.04 0.30 -0.75 4.35 4.21 2olsA1 LEU 693 HB2 -0.03 0.19 0.05 -0.04 1.64 1.80 2olsA1 LEU 693 HB3 0.02 0.12 -0.02 -0.04 1.64 1.72 2olsA1 LEU 693 HG -0.09 0.08 -0.10 -0.04 1.64 1.48 2olsA1 LEU 693 HD13 -0.64 -0.03 -0.12 -0.04 0.93 0.10 2olsA1 LEU 693 HD23 -0.23 -0.02 -0.26 -0.04 0.89 0.34 2olsA1 GLN 694 H 0.09 0.26 -0.42 -0.55 8.47 7.85 2olsA1 GLN 694 HA -0.05 0.11 0.51 -0.75 4.36 4.18 2olsA1 GLN 694 HB2 -0.24 0.12 0.09 -0.04 2.15 2.08 2olsA1 GLN 694 HB3 -0.30 -0.06 0.03 -0.04 2.02 1.64 2olsA1 GLN 694 HG2 -0.09 -0.02 0.06 -0.04 2.40 2.31 2olsA1 GLN 694 HG3 -0.04 0.11 0.07 -0.04 2.39 2.49 2olsA1 GLN 694 HE21 -0.04 -0.10 -0.03 -0.04 6.97 6.77 2olsA1 GLN 694 HE22 -0.03 0.05 -0.02 -0.04 7.69 7.65 2olsA1 TYR 695 H 0.24 0.39 -0.34 -0.55 8.29 8.02 2olsA1 TYR 695 HA -0.14 0.11 0.62 -0.75 4.56 4.39 2olsA1 TYR 695 HB2 -0.11 0.15 0.07 -0.04 3.06 3.13 2olsA1 TYR 695 HB3 -0.56 -0.07 0.05 -0.04 2.98 2.37 2olsA1 TYR 695 HD2 -0.00 0.09 0.04 -0.04 7.15 7.24 2olsA1 TYR 695 HE2 -0.05 -0.03 -0.02 -0.04 6.85 6.71 2olsA1 PHE 696 H 0.21 0.51 -0.27 -0.55 8.34 8.23 2olsA1 PHE 696 HA 0.13 0.12 0.88 -0.75 4.62 5.00 2olsA1 PHE 696 HB2 0.25 0.01 0.00 -0.04 3.15 3.37 2olsA1 PHE 696 HB3 0.19 0.03 0.18 -0.04 3.06 3.41 2olsA1 PHE 696 HD2 0.26 0.15 -0.30 -0.04 7.28 7.35 2olsA1 PHE 696 HE2 0.19 -0.06 -0.10 -0.04 7.38 7.37 2olsA1 PHE 696 HZ 0.09 -0.11 -0.04 -0.04 7.32 7.22 2olsA1 ASP 697 H 0.26 0.70 0.40 -0.55 8.40 9.22 2olsA1 ASP 697 HA 0.08 0.22 0.78 -0.75 4.63 4.96 2olsA1 ASP 697 HB2 0.11 -0.03 0.09 -0.04 2.71 2.84 2olsA1 ASP 697 HB3 0.06 0.01 0.18 -0.04 2.70 2.91 2olsA1 GLY 698 H 0.23 0.12 -0.06 -0.55 8.43 8.17 2olsA1 GLY 698 HA2 -0.05 0.11 0.31 -0.51 4.01 3.87 2olsA1 GLY 698 HA3 0.20 0.11 0.50 -0.51 4.01 4.32 2olsA1 PHE 699 H 0.10 0.67 0.30 -0.55 8.34 8.85 2olsA1 PHE 699 HA -0.04 0.23 1.00 -0.75 4.62 5.06 2olsA1 PHE 699 HB2 -0.06 0.07 0.12 -0.04 3.15 3.24 2olsA1 PHE 699 HB3 -0.06 -0.11 -0.08 -0.04 3.06 2.76 2olsA1 PHE 699 HD2 -0.06 0.05 -0.17 -0.04 7.28 7.06 2olsA1 PHE 699 HE2 0.04 0.00 -0.10 -0.04 7.38 7.28 2olsA1 PHE 699 HZ 0.13 0.07 0.01 -0.04 7.32 7.49 2olsA1 SER 700 H 0.08 0.53 0.21 -0.55 8.46 8.74 2olsA1 SER 700 HA 0.07 0.19 0.52 -0.75 4.49 4.52 2olsA1 SER 700 HB2 0.06 -0.07 -0.00 -0.04 3.95 3.89 2olsA1 SER 700 HB3 0.05 -0.05 -0.22 -0.04 3.93 3.68 2olsA1 ILE 701 H 0.01 0.86 0.25 -0.55 8.25 8.82 2olsA1 ILE 701 HA -0.06 0.12 0.66 -0.75 4.18 4.15 2olsA1 ILE 701 HB 0.03 -0.02 0.27 -0.04 1.89 2.14 2olsA1 ILE 701 HG12 0.02 0.00 0.00 -0.04 1.49 1.47 2olsA1 ILE 701 HG13 0.05 -0.01 -0.04 -0.04 1.21 1.17 2olsA1 ILE 701 HG23 0.04 -0.01 -0.16 -0.04 0.93 0.76 2olsA1 ILE 701 HD13 0.05 0.02 -0.04 -0.04 0.88 0.87 2olsA1 GLY 702 H -0.06 0.41 0.07 -0.55 8.43 8.30 2olsA1 GLY 702 HA2 0.02 0.13 0.83 -0.51 4.01 4.48 2olsA1 GLY 702 HA3 -0.01 -0.04 0.34 -0.51 4.01 3.79 2olsA1 SER 703 H 0.06 0.48 0.16 -0.55 8.46 8.61 2olsA1 SER 703 HA 0.03 0.13 0.32 -0.75 4.49 4.21 2olsA1 SER 703 HB2 0.05 -0.02 0.06 -0.04 3.95 3.99 2olsA1 SER 703 HB3 0.13 0.11 0.05 -0.04 3.93 4.19 2olsA1 ASN 704 H 0.08 0.11 -0.08 -0.55 8.53 8.10 2olsA1 ASN 704 HA 0.28 0.09 0.54 -0.75 4.76 4.91 2olsA1 ASN 704 HB2 0.10 0.02 0.11 -0.04 2.88 3.07 2olsA1 ASN 704 HB3 0.07 -0.05 0.10 -0.04 2.79 2.87 2olsA1 ASN 704 HD21 0.03 0.02 -0.06 -0.04 7.03 6.99 2olsA1 ASN 704 HD22 0.05 -0.02 -0.03 -0.04 7.74 7.70 2olsA1 ASP 705 H 0.06 0.11 -0.12 -0.55 8.40 7.91 2olsA1 ASP 705 HA 0.09 0.05 0.42 -0.75 4.63 4.43 2olsA1 ASP 705 HB2 0.06 -0.04 0.13 -0.04 2.71 2.82 2olsA1 ASP 705 HB3 0.04 0.16 -0.04 -0.04 2.70 2.82 2olsA1 MET 706 H -0.00 0.41 -0.03 -0.55 8.47 8.30 2olsA1 MET 706 HA -0.06 0.13 0.47 -0.75 4.52 4.31 2olsA1 MET 706 HB2 -0.04 0.15 0.12 -0.04 2.15 2.34 2olsA1 MET 706 HB3 -0.02 0.00 0.06 -0.04 2.03 2.03 2olsA1 MET 706 HG2 -0.02 0.04 -0.14 -0.04 2.63 2.47 2olsA1 MET 706 HG3 -0.03 -0.01 -0.14 -0.04 2.56 2.34 2olsA1 MET 706 HE3 -0.04 -0.01 -0.05 -0.04 2.10 1.95 2olsA1 THR 707 H -0.02 0.54 -0.23 -0.55 8.28 8.02 2olsA1 THR 707 HA -0.13 0.03 0.39 -0.75 4.39 3.94 2olsA1 THR 707 HB -0.16 0.06 0.14 -0.04 4.32 4.32 2olsA1 THR 707 HG23 -0.69 -0.02 -0.17 -0.04 1.22 0.30 2olsA1 GLN 708 H 0.09 0.45 -0.10 -0.55 8.47 8.36 2olsA1 GLN 708 HA 0.10 0.01 0.45 -0.75 4.36 4.16 2olsA1 GLN 708 HB2 0.09 0.03 0.21 -0.04 2.15 2.45 2olsA1 GLN 708 HB3 0.08 0.09 0.13 -0.04 2.02 2.27 2olsA1 GLN 708 HG2 0.18 -0.03 0.05 -0.04 2.40 2.56 2olsA1 GLN 708 HG3 0.29 0.15 0.11 -0.04 2.39 2.90 2olsA1 GLN 708 HE21 0.04 -0.06 -0.05 -0.04 6.97 6.86 2olsA1 GLN 708 HE22 0.10 0.08 -0.32 -0.04 7.69 7.51 2olsA1 LEU 709 H 0.02 0.56 -0.08 -0.55 8.37 8.32 2olsA1 LEU 709 HA 0.02 0.06 0.62 -0.75 4.35 4.29 2olsA1 LEU 709 HB2 -0.04 0.13 0.22 -0.04 1.64 1.91 2olsA1 LEU 709 HB3 -0.03 -0.06 0.10 -0.04 1.64 1.62 2olsA1 LEU 709 HG 0.05 -0.00 0.07 -0.04 1.64 1.72 2olsA1 LEU 709 HD13 -0.07 0.02 0.04 -0.04 0.93 0.88 2olsA1 LEU 709 HD23 0.06 -0.00 -0.02 -0.04 0.89 0.89 2olsA1 THR 710 H -0.03 0.56 -0.06 -0.55 8.28 8.20 2olsA1 THR 710 HA -0.02 0.02 0.46 -0.75 4.39 4.09 2olsA1 THR 710 HB -0.06 0.02 0.05 -0.04 4.32 4.30 2olsA1 THR 710 HG23 -0.04 -0.02 -0.22 -0.04 1.22 0.91 2olsA1 LEU 711 H -0.03 0.36 -0.26 -0.55 8.37 7.90 2olsA1 LEU 711 HA -0.03 0.14 0.67 -0.75 4.35 4.38 2olsA1 LEU 711 HB2 -0.03 0.08 0.02 -0.04 1.64 1.68 2olsA1 LEU 711 HB3 -0.03 -0.02 0.05 -0.04 1.64 1.59 2olsA1 LEU 711 HG -0.10 -0.02 -0.00 -0.04 1.64 1.48 2olsA1 LEU 711 HD13 -0.14 -0.02 0.01 -0.04 0.93 0.74 2olsA1 LEU 711 HD23 -0.07 -0.01 -0.08 -0.04 0.89 0.68 2olsA1 GLY 712 H 0.00 0.13 -0.42 -0.55 8.43 7.60 2olsA1 GLY 712 HA2 0.02 -0.02 0.31 -0.51 4.01 3.81 2olsA1 GLY 712 HA3 0.01 0.01 0.40 -0.51 4.01 3.92 2olsA1 LEU 713 H 0.04 0.57 0.15 -0.55 8.37 8.58 2olsA1 LEU 713 HA 0.03 0.17 0.82 -0.75 4.35 4.61 2olsA1 LEU 713 HB2 0.10 -0.06 -0.13 -0.04 1.64 1.51 2olsA1 LEU 713 HB3 0.08 -0.05 -0.40 -0.04 1.64 1.23 2olsA1 LEU 713 HG 0.03 0.20 -0.47 -0.04 1.64 1.36 2olsA1 LEU 713 HD13 0.07 -0.02 -0.30 -0.04 0.93 0.64 2olsA1 LEU 713 HD23 0.03 0.02 -0.16 -0.04 0.89 0.74 2olsA1 ASP 714 H 0.02 0.23 0.13 -0.55 8.40 8.23 2olsA1 ASP 714 HA 0.02 0.12 0.87 -0.75 4.63 4.88 2olsA1 ASP 714 HB2 0.01 0.09 0.10 -0.04 2.71 2.87 2olsA1 ASP 714 HB3 0.00 -0.00 0.23 -0.04 2.70 2.88 2olsA1 ARG 715 H -0.03 0.20 0.06 -0.55 8.46 8.13 2olsA1 ARG 715 HA -0.08 0.14 0.39 -0.75 4.34 4.04 2olsA1 ARG 715 HB2 -0.73 0.09 0.08 -0.04 1.90 1.29 2olsA1 ARG 715 HB3 -0.31 0.01 0.05 -0.04 1.80 1.51 2olsA1 ARG 715 HG2 -0.16 -0.12 -0.05 -0.04 1.67 1.29 2olsA1 ARG 715 HG3 -0.28 0.08 -0.35 -0.04 1.67 1.08 2olsA1 ARG 715 HD2 -0.31 -0.01 -0.01 -0.04 3.22 2.86 2olsA1 ARG 715 HD3 -0.20 -0.02 -0.05 -0.04 3.22 2.91 2olsA1 ASP 716 H -0.06 -0.04 -0.24 -0.55 8.40 7.51 2olsA1 ASP 716 HA -0.07 0.21 0.72 -0.75 4.63 4.74 2olsA1 ASP 716 HB2 -0.03 -0.05 0.02 -0.04 2.71 2.61 2olsA1 ASP 716 HB3 -0.03 0.06 0.06 -0.04 2.70 2.75 2olsA1 SER 717 H -0.02 0.14 -0.26 -0.55 8.46 7.77 2olsA1 SER 717 HA -0.01 0.14 0.81 -0.75 4.49 4.67 2olsA1 SER 717 HB2 -0.01 0.03 0.12 -0.04 3.95 4.05 2olsA1 SER 717 HB3 -0.00 0.14 0.25 -0.04 3.93 4.28 2olsA1 GLY 718 H -0.01 0.26 0.19 -0.55 8.43 8.32 2olsA1 GLY 718 HA2 -0.02 0.09 0.28 -0.51 4.01 3.85 2olsA1 GLY 718 HA3 -0.01 0.09 0.33 -0.51 4.01 3.91 2olsA1 LEU 719 H -0.01 0.02 -0.49 -0.55 8.37 7.34 2olsA1 LEU 719 HA -0.00 0.16 0.38 -0.75 4.35 4.13 2olsA1 LEU 719 HB2 -0.00 -0.08 0.07 -0.04 1.64 1.59 2olsA1 LEU 719 HB3 0.00 0.05 -0.05 -0.04 1.64 1.60 2olsA1 LEU 719 HG -0.00 0.03 0.02 -0.04 1.64 1.65 2olsA1 LEU 719 HD13 -0.00 0.01 0.02 -0.04 0.93 0.92 2olsA1 LEU 719 HD23 -0.00 -0.01 0.00 -0.04 0.89 0.84 2olsA1 VAL 720 H 0.00 0.19 -0.11 -0.55 8.24 7.77 2olsA1 VAL 720 HA 0.01 0.27 0.98 -0.75 4.13 4.63 2olsA1 VAL 720 HB 0.01 0.01 0.06 -0.04 2.12 2.16 2olsA1 VAL 720 HG13 0.01 0.00 -0.10 -0.04 0.97 0.84 2olsA1 VAL 720 HG23 0.01 -0.02 0.01 -0.04 0.95 0.91 2olsA1 SER 721 H 0.00 0.28 -0.03 -0.55 8.46 8.16 2olsA1 SER 721 HA 0.05 -0.02 -0.08 -0.75 4.49 3.68 2olsA1 SER 721 HB2 -0.05 -0.04 0.17 -0.04 3.95 3.98 2olsA1 SER 721 HB3 -0.03 0.09 0.05 -0.04 3.93 4.01 2olsA1 GLU 722 H 0.01 0.17 -0.62 -0.55 8.60 7.62 2olsA1 GLU 722 HA 0.03 0.10 0.55 -0.75 4.29 4.21 2olsA1 GLU 722 HB2 0.00 -0.00 0.05 -0.04 2.09 2.10 2olsA1 GLU 722 HB3 0.01 0.02 -0.03 -0.04 1.99 1.94 2olsA1 GLU 722 HG2 -0.00 -0.00 -0.16 -0.04 2.34 2.13 2olsA1 GLU 722 HG3 0.00 0.03 0.12 -0.04 2.34 2.45 2olsA1 SER 723 H 0.04 0.20 -0.32 -0.55 8.46 7.84 2olsA1 SER 723 HA -0.01 0.15 0.60 -0.75 4.49 4.47 2olsA1 SER 723 HB2 0.01 0.14 0.08 -0.04 3.95 4.14 2olsA1 SER 723 HB3 -0.00 -0.03 -0.07 -0.04 3.93 3.79 2olsA1 PHE 724 H 0.16 0.11 -0.29 -0.55 8.34 7.78 2olsA1 PHE 724 HA -0.05 -0.02 0.48 -0.75 4.62 4.27 2olsA1 PHE 724 HB2 -0.03 -0.07 0.04 -0.04 3.15 3.04 2olsA1 PHE 724 HB3 -0.03 0.24 0.12 -0.04 3.06 3.35 2olsA1 PHE 724 HD2 -0.03 0.05 -0.19 -0.04 7.28 7.06 2olsA1 PHE 724 HE2 -0.03 0.01 -0.02 -0.04 7.38 7.30 2olsA1 PHE 724 HZ -0.03 -0.09 -0.01 -0.04 7.32 7.14 2olsA1 ASP 725 H -0.58 0.19 0.07 -0.55 8.40 7.53 2olsA1 ASP 725 HA -0.30 0.05 0.41 -0.75 4.63 4.04 2olsA1 ASP 725 HB2 -0.16 0.30 -0.29 -0.04 2.71 2.52 2olsA1 ASP 725 HB3 -0.24 -0.07 0.07 -0.04 2.70 2.42 2olsA1 GLU 726 H -0.44 0.20 0.06 -0.55 8.60 7.87 2olsA1 GLU 726 HA -0.40 0.09 0.47 -0.75 4.29 3.70 2olsA1 GLU 726 HB2 -0.77 0.06 -0.05 -0.04 2.09 1.28 2olsA1 GLU 726 HB3 -0.29 0.02 0.07 -0.04 1.99 1.75 2olsA1 GLU 726 HG2 -0.26 0.02 -0.01 -0.04 2.34 2.04 2olsA1 GLU 726 HG3 -0.16 0.03 0.05 -0.04 2.34 2.23 2olsA1 ARG 727 H -0.45 0.00 -0.47 -0.55 8.46 6.99 2olsA1 ARG 727 HA -0.44 0.29 0.89 -0.75 4.34 4.34 2olsA1 ARG 727 HB2 -0.31 0.06 0.07 -0.04 1.90 1.68 2olsA1 ARG 727 HB3 -0.62 -0.03 -0.12 -0.04 1.80 0.98 2olsA1 ARG 727 HG2 -0.37 -0.05 -0.11 -0.04 1.67 1.11 2olsA1 ARG 727 HG3 -0.28 0.06 -0.08 -0.04 1.67 1.33 2olsA1 ARG 727 HD2 -0.31 -0.00 -0.07 -0.04 3.22 2.79 2olsA1 ARG 727 HD3 -0.55 -0.08 -0.05 -0.04 3.22 2.50 2olsA1 ASN 728 H -0.29 0.32 -0.23 -0.55 8.53 7.77 2olsA1 ASN 728 HA -0.18 0.15 0.58 -0.75 4.76 4.57 2olsA1 ASN 728 HB2 -0.20 0.17 0.19 -0.04 2.88 3.00 2olsA1 ASN 728 HB3 -0.18 -0.17 0.09 -0.04 2.79 2.49 2olsA1 ASN 728 HD21 -0.08 0.02 0.05 -0.04 7.03 6.98 2olsA1 ASN 728 HD22 -0.12 0.09 0.08 -0.04 7.74 7.74 2olsA1 PRO 729 HA -0.16 0.12 0.40 -0.51 4.44 4.28 2olsA1 PRO 729 HB2 -0.07 0.02 -0.02 -0.04 2.28 2.17 2olsA1 PRO 729 HB3 -0.07 0.07 0.08 -0.04 2.02 2.06 2olsA1 PRO 729 HG2 -0.07 0.05 0.09 -0.04 2.03 2.06 2olsA1 PRO 729 HG3 -0.09 0.10 0.11 -0.04 2.03 2.10 2olsA1 PRO 729 HD2 -0.10 0.07 0.23 -0.04 3.68 3.84 2olsA1 PRO 729 HD3 -0.13 0.22 0.27 -0.04 3.65 3.96 2olsA1 ALA 730 H -0.09 0.13 -0.28 -0.55 8.40 7.62 2olsA1 ALA 730 HA -0.03 0.09 0.47 -0.75 4.34 4.12 2olsA1 ALA 730 HB3 -0.05 0.03 0.01 -0.04 1.41 1.35 2olsA1 VAL 731 H -0.12 0.21 -0.28 -0.55 8.24 7.49 2olsA1 VAL 731 HA -0.05 0.04 0.45 -0.75 4.13 3.81 2olsA1 VAL 731 HB -0.19 0.21 0.02 -0.04 2.12 2.12 2olsA1 VAL 731 HG13 -0.09 -0.04 -0.03 -0.04 0.97 0.77 2olsA1 VAL 731 HG23 -0.16 -0.02 -0.00 -0.04 0.95 0.72 2olsA1 LYS 732 H -0.16 0.50 -0.19 -0.55 8.42 8.01 2olsA1 LYS 732 HA -0.10 0.01 0.38 -0.75 4.32 3.85 2olsA1 LYS 732 HB2 -0.23 0.08 0.09 -0.04 1.87 1.77 2olsA1 LYS 732 HB3 -0.30 0.00 -0.06 -0.04 1.79 1.39 2olsA1 LYS 732 HG2 -1.10 -0.04 -0.02 -0.04 1.46 0.26 2olsA1 LYS 732 HG3 -0.47 0.09 -0.17 -0.04 1.46 0.87 2olsA1 LYS 732 HD2 -0.52 0.01 -0.07 -0.04 1.69 1.07 2olsA1 LYS 732 HD3 -1.44 0.00 -0.05 -0.04 1.68 0.15 2olsA1 LYS 732 HE2 -1.28 -0.03 -0.04 -0.04 2.99 1.60 2olsA1 LYS 732 HE3 -0.51 -0.01 -0.00 -0.04 2.99 2.43 2olsA1 VAL 733 H 0.01 0.54 -0.15 -0.55 8.24 8.08 2olsA1 VAL 733 HA 0.14 0.05 0.50 -0.75 4.13 4.06 2olsA1 VAL 733 HB 0.03 0.09 0.11 -0.04 2.12 2.31 2olsA1 VAL 733 HG13 0.07 -0.01 -0.05 -0.04 0.97 0.93 2olsA1 VAL 733 HG23 0.01 0.08 0.06 -0.04 0.95 1.07 2olsA1 MET 734 H 0.06 0.36 -0.36 -0.55 8.47 7.97 2olsA1 MET 734 HA 0.07 -0.01 0.35 -0.75 4.52 4.19 2olsA1 MET 734 HB2 0.03 0.21 0.16 -0.04 2.15 2.50 2olsA1 MET 734 HB3 0.02 -0.11 -0.02 -0.04 2.03 1.88 2olsA1 MET 734 HG2 0.01 0.23 0.11 -0.04 2.63 2.95 2olsA1 MET 734 HG3 -0.01 -0.05 0.03 -0.04 2.56 2.48 2olsA1 MET 734 HE3 -0.00 0.00 0.02 -0.04 2.10 2.08 2olsA1 LEU 735 H 0.17 0.51 -0.07 -0.55 8.37 8.44 2olsA1 LEU 735 HA 0.14 -0.03 0.44 -0.75 4.35 4.15 2olsA1 LEU 735 HB2 0.56 0.11 0.10 -0.04 1.64 2.37 2olsA1 LEU 735 HB3 0.34 -0.02 -0.00 -0.04 1.64 1.93 2olsA1 LEU 735 HG 0.15 0.25 -0.02 -0.04 1.64 1.98 2olsA1 LEU 735 HD13 0.37 -0.01 -0.07 -0.04 0.93 1.17 2olsA1 LEU 735 HD23 0.12 -0.04 -0.06 -0.04 0.89 0.86 2olsA1 HIS 736 H 0.42 0.63 -0.14 -0.55 8.41 8.78 2olsA1 HIS 736 HA 0.03 0.05 0.41 -0.75 4.63 4.36 2olsA1 HIS 736 HB2 0.27 0.03 0.11 -0.04 3.26 3.63 2olsA1 HIS 736 HB3 0.16 0.10 0.19 -0.04 3.20 3.60 2olsA1 HIS 736 HD2 0.06 -0.00 -0.14 -0.04 6.97 6.84 2olsA1 HIS 736 HE1 -0.03 0.03 -0.01 -0.04 7.75 7.70 2olsA1 LEU 737 H 0.18 0.58 -0.08 -0.55 8.37 8.51 2olsA1 LEU 737 HA -0.02 -0.00 0.49 -0.75 4.35 4.06 2olsA1 LEU 737 HB2 0.09 0.06 0.15 -0.04 1.64 1.90 2olsA1 LEU 737 HB3 0.07 0.14 0.05 -0.04 1.64 1.86 2olsA1 LEU 737 HG 0.16 0.17 0.08 -0.04 1.64 2.01 2olsA1 LEU 737 HD13 0.07 -0.04 -0.15 -0.04 0.93 0.77 2olsA1 LEU 737 HD23 0.10 -0.02 0.03 -0.04 0.89 0.96 2olsA1 ALA 738 H 0.08 0.43 -0.24 -0.55 8.40 8.13 2olsA1 ALA 738 HA 0.19 0.00 0.41 -0.75 4.34 4.19 2olsA1 ALA 738 HB3 0.17 -0.01 0.07 -0.04 1.41 1.60 2olsA1 ILE 739 H -0.01 0.63 -0.01 -0.55 8.25 8.30 2olsA1 ILE 739 HA -0.07 0.02 0.38 -0.75 4.18 3.76 2olsA1 ILE 739 HB -0.09 -0.07 0.00 -0.04 1.89 1.69 2olsA1 ILE 739 HG12 -0.19 -0.06 -0.22 -0.04 1.49 0.97 2olsA1 ILE 739 HG13 -0.17 0.04 -0.23 -0.04 1.21 0.81 2olsA1 ILE 739 HG23 -0.03 -0.00 -0.06 -0.04 0.93 0.79 2olsA1 ILE 739 HD13 -0.14 -0.01 -0.28 -0.04 0.88 0.40 2olsA1 SER 740 H -0.25 0.59 -0.00 -0.55 8.46 8.26 2olsA1 SER 740 HA -0.16 0.07 0.48 -0.75 4.49 4.13 2olsA1 SER 740 HB2 -0.25 0.10 0.15 -0.04 3.95 3.91 2olsA1 SER 740 HB3 -0.15 -0.07 -0.11 -0.04 3.93 3.56 2olsA1 ALA 741 H -0.08 0.51 -0.12 -0.55 8.40 8.16 2olsA1 ALA 741 HA -0.06 -0.03 0.47 -0.75 4.34 3.97 2olsA1 ALA 741 HB3 -0.02 0.02 0.02 -0.04 1.41 1.39 2olsA1 CYS 742 H -0.14 0.41 -0.32 -0.55 8.50 7.90 2olsA1 CYS 742 HA -0.21 -0.00 0.34 -0.75 4.58 3.96 2olsA1 CYS 742 HB2 -0.16 0.13 0.20 -0.04 2.97 3.10 2olsA1 CYS 742 HB3 -0.17 0.22 -0.12 -0.04 2.97 2.86 2olsA1 ARG 743 H -0.12 0.54 0.04 -0.55 8.46 8.37 2olsA1 ARG 743 HA -0.08 0.04 0.52 -0.75 4.34 4.06 2olsA1 ARG 743 HB2 -0.10 0.03 0.24 -0.04 1.90 2.03 2olsA1 ARG 743 HB3 -0.08 -0.06 0.05 -0.04 1.80 1.67 2olsA1 ARG 743 HG2 -0.10 -0.03 0.10 -0.04 1.67 1.61 2olsA1 ARG 743 HG3 -0.12 0.21 0.10 -0.04 1.67 1.82 2olsA1 ARG 743 HD2 -0.12 0.12 0.06 -0.04 3.22 3.23 2olsA1 ARG 743 HD3 -0.09 -0.11 0.04 -0.04 3.22 3.03 2olsA1 LYS 744 H -0.08 0.59 -0.09 -0.55 8.42 8.28 2olsA1 LYS 744 HA -0.05 0.08 0.60 -0.75 4.32 4.20 2olsA1 LYS 744 HB2 -0.04 -0.06 0.14 -0.04 1.87 1.88 2olsA1 LYS 744 HB3 -0.04 -0.06 0.11 -0.04 1.79 1.76 2olsA1 LYS 744 HG2 -0.06 0.28 0.08 -0.04 1.46 1.72 2olsA1 LYS 744 HG3 -0.05 0.10 0.05 -0.04 1.46 1.52 2olsA1 LYS 744 HD2 -0.03 -0.04 0.01 -0.04 1.69 1.59 2olsA1 LYS 744 HD3 -0.03 -0.07 -0.03 -0.04 1.68 1.51 2olsA1 LYS 744 HE2 -0.02 0.01 0.00 -0.04 2.99 2.93 2olsA1 LYS 744 HE3 -0.02 -0.08 -0.01 -0.04 2.99 2.85 2olsA1 GLN 745 H -0.07 0.36 -0.56 -0.55 8.47 7.65 2olsA1 GLN 745 HA -0.04 0.14 0.92 -0.75 4.36 4.63 2olsA1 GLN 745 HB2 -0.08 0.08 0.06 -0.04 2.15 2.18 2olsA1 GLN 745 HB3 -0.04 -0.02 0.12 -0.04 2.02 2.03 2olsA1 GLN 745 HG2 -0.05 -0.00 -0.15 -0.04 2.40 2.16 2olsA1 GLN 745 HG3 -0.05 -0.04 -0.05 -0.04 2.39 2.21 2olsA1 GLN 745 HE21 -0.03 -0.06 -0.02 -0.04 6.97 6.82 2olsA1 GLN 745 HE22 -0.03 -0.04 -0.06 -0.04 7.69 7.51 2olsA1 ASN 746 H -0.05 0.42 -0.17 -0.55 8.53 8.18 2olsA1 ASN 746 HA -0.04 0.05 0.34 -0.75 4.76 4.36 2olsA1 ASN 746 HB2 -0.02 0.08 0.02 -0.04 2.88 2.92 2olsA1 ASN 746 HB3 -0.02 -0.06 0.23 -0.04 2.79 2.90 2olsA1 ASN 746 HD21 -0.03 -0.06 0.04 -0.04 7.03 6.94 2olsA1 ASN 746 HD22 -0.03 0.03 0.09 -0.04 7.74 7.78 2olsA1 LYS 747 H -0.06 0.57 -0.02 -0.55 8.42 8.35 2olsA1 LYS 747 HA 0.01 0.15 0.79 -0.75 4.32 4.51 2olsA1 LYS 747 HB2 -0.09 -0.01 0.01 -0.04 1.87 1.74 2olsA1 LYS 747 HB3 -0.06 -0.06 -0.10 -0.04 1.79 1.52 2olsA1 LYS 747 HG2 0.01 0.08 -0.02 -0.04 1.46 1.49 2olsA1 LYS 747 HG3 -0.02 0.16 -0.24 -0.04 1.46 1.32 2olsA1 LYS 747 HD2 -0.05 -0.08 -0.07 -0.04 1.69 1.45 2olsA1 LYS 747 HD3 -0.03 -0.04 -0.14 -0.04 1.68 1.43 2olsA1 LYS 747 HE2 0.02 -0.06 0.08 -0.04 2.99 2.98 2olsA1 LYS 747 HE3 -0.01 -0.03 0.01 -0.04 2.99 2.92 2olsA1 TYR 748 H 0.14 0.27 0.25 -0.55 8.29 8.40 2olsA1 TYR 748 HA -0.03 0.02 0.46 -0.75 4.56 4.24 2olsA1 TYR 748 HB2 -0.01 0.07 0.10 -0.04 3.06 3.19 2olsA1 TYR 748 HB3 0.01 -0.04 0.06 -0.04 2.98 2.96 2olsA1 TYR 748 HD2 0.01 -0.02 -0.22 -0.04 7.15 6.88 2olsA1 TYR 748 HE2 -0.00 -0.02 -0.20 -0.04 6.85 6.58 2olsA1 VAL 749 H -0.41 0.20 0.24 -0.55 8.24 7.71 2olsA1 VAL 749 HA -0.30 0.23 0.60 -0.75 4.13 3.91 2olsA1 VAL 749 HB -0.16 0.10 0.10 -0.04 2.12 2.13 2olsA1 VAL 749 HG13 -0.17 -0.01 0.17 -0.04 0.97 0.92 2olsA1 VAL 749 HG23 -0.04 -0.04 -0.04 -0.04 0.95 0.78 2olsA1 GLY 750 H -0.34 0.60 0.30 -0.55 8.43 8.44 2olsA1 GLY 750 HA2 -0.23 0.23 0.99 -0.51 4.01 4.49 2olsA1 GLY 750 HA3 -0.16 0.03 0.30 -0.51 4.01 3.67 2olsA1 ILE 751 H -0.04 0.46 0.23 -0.55 8.25 8.36 2olsA1 ILE 751 HA 0.02 0.06 0.90 -0.75 4.18 4.40 2olsA1 ILE 751 HB -0.00 0.06 -0.04 -0.04 1.89 1.87 2olsA1 ILE 751 HG12 0.10 0.02 -0.03 -0.04 1.49 1.53 2olsA1 ILE 751 HG13 0.07 -0.01 0.17 -0.04 1.21 1.41 2olsA1 ILE 751 HG23 -0.02 0.05 0.02 -0.04 0.93 0.94 2olsA1 ILE 751 HD13 0.16 -0.01 -0.05 -0.04 0.88 0.93 2olsA1 CYS 752 H 0.04 0.59 0.35 -0.55 8.50 8.93 2olsA1 CYS 752 HA 0.03 0.27 0.96 -0.75 4.58 5.08 2olsA1 CYS 752 HB2 0.03 -0.10 0.05 -0.04 2.97 2.91 2olsA1 CYS 752 HB3 0.02 -0.04 0.01 -0.04 2.97 2.92 2olsA1 GLY 753 H 0.03 0.31 0.19 -0.55 8.43 8.41 2olsA1 GLY 753 HA2 0.04 -0.00 0.45 -0.51 4.01 3.98 2olsA1 GLY 753 HA3 0.07 0.09 0.88 -0.51 4.01 4.55 2olsA1 GLN 754 H 0.04 0.14 0.17 -0.55 8.47 8.28 2olsA1 GLN 754 HA 0.01 0.21 0.53 -0.75 4.36 4.36 2olsA1 GLN 754 HB2 -0.01 0.02 0.11 -0.04 2.15 2.23 2olsA1 GLN 754 HB3 -0.03 0.06 0.14 -0.04 2.02 2.14 2olsA1 GLN 754 HG2 -0.01 -0.08 0.02 -0.04 2.40 2.29 2olsA1 GLN 754 HG3 -0.03 0.09 0.04 -0.04 2.39 2.46 2olsA1 GLN 754 HE21 -0.03 0.06 0.06 -0.04 6.97 7.01 2olsA1 GLN 754 HE22 -0.04 0.06 0.05 -0.04 7.69 7.72 2olsA1 GLY 755 H 0.09 0.00 -0.26 -0.55 8.43 7.72 2olsA1 GLY 755 HA2 0.05 0.03 0.30 -0.51 4.01 3.88 2olsA1 GLY 755 HA3 0.18 0.06 0.16 -0.51 4.01 3.91 2olsA1 PRO 756 HA 0.19 -0.00 0.39 -0.51 4.44 4.51 2olsA1 PRO 756 HB2 0.04 0.07 -0.17 -0.04 2.28 2.18 2olsA1 PRO 756 HB3 0.01 0.07 -0.03 -0.04 2.02 2.03 2olsA1 PRO 756 HG2 0.05 0.11 -0.12 -0.04 2.03 2.03 2olsA1 PRO 756 HG3 0.03 0.05 -0.13 -0.04 2.03 1.94 2olsA1 PRO 756 HD2 0.12 0.23 -0.34 -0.04 3.68 3.65 2olsA1 PRO 756 HD3 0.33 -0.01 -0.16 -0.04 3.65 3.77 2olsA1 SER 757 H 0.03 0.15 -0.35 -0.55 8.46 7.75 2olsA1 SER 757 HA -0.03 0.13 0.55 -0.75 4.49 4.39 2olsA1 SER 757 HB2 -0.01 -0.02 0.06 -0.04 3.95 3.93 2olsA1 SER 757 HB3 -0.03 0.03 0.18 -0.04 3.93 4.06 2olsA1 ASP 758 H -0.10 0.57 0.06 -0.55 8.40 8.38 2olsA1 ASP 758 HA -0.20 0.08 0.35 -0.75 4.63 4.12 2olsA1 ASP 758 HB2 -0.41 -0.08 -0.03 -0.04 2.71 2.15 2olsA1 ASP 758 HB3 -0.55 0.00 0.00 -0.04 2.70 2.11 2olsA1 HIS 759 H -0.07 0.54 -0.33 -0.55 8.41 8.00 2olsA1 HIS 759 HA -0.02 0.23 0.85 -0.75 4.63 4.94 2olsA1 HIS 759 HB2 0.07 -0.04 0.15 -0.04 3.26 3.40 2olsA1 HIS 759 HB3 0.01 -0.06 0.07 -0.04 3.20 3.17 2olsA1 HIS 759 HD2 -0.14 -0.12 -0.04 -0.04 6.97 6.62 2olsA1 HIS 759 HE1 -0.03 0.04 -0.05 -0.04 7.75 7.67 2olsA1 PRO 760 HA -0.15 0.19 0.45 -0.51 4.44 4.42 2olsA1 PRO 760 HB2 -0.20 -0.02 0.03 -0.04 2.28 2.05 2olsA1 PRO 760 HB3 -1.43 0.08 0.07 -0.04 2.02 0.69 2olsA1 PRO 760 HG2 -0.29 0.03 0.04 -0.04 2.03 1.78 2olsA1 PRO 760 HG3 -0.44 0.14 0.03 -0.04 2.03 1.73 2olsA1 PRO 760 HD2 -0.03 0.05 0.14 -0.04 3.68 3.80 2olsA1 PRO 760 HD3 -0.10 0.31 -0.33 -0.04 3.65 3.49 2olsA1 ASP 761 H 0.10 0.12 -0.28 -0.55 8.40 7.78 2olsA1 ASP 761 HA 0.17 0.14 0.52 -0.75 4.63 4.71 2olsA1 ASP 761 HB2 0.09 -0.02 0.01 -0.04 2.71 2.74 2olsA1 ASP 761 HB3 0.11 0.02 0.01 -0.04 2.70 2.80 2olsA1 PHE 762 H 0.28 0.40 -0.26 -0.55 8.34 8.21 2olsA1 PHE 762 HA 0.11 0.06 0.48 -0.75 4.62 4.52 2olsA1 PHE 762 HB2 0.04 -0.07 0.00 -0.04 3.15 3.08 2olsA1 PHE 762 HB3 0.10 0.24 0.00 -0.04 3.06 3.36 2olsA1 PHE 762 HD2 -0.04 -0.01 -0.36 -0.04 7.28 6.83 2olsA1 PHE 762 HE2 -0.09 -0.01 -0.15 -0.04 7.38 7.09 2olsA1 PHE 762 HZ 0.04 -0.00 -0.11 -0.04 7.32 7.21 2olsA1 ALA 763 H 0.16 0.39 -0.04 -0.55 8.40 8.36 2olsA1 ALA 763 HA -0.07 -0.04 0.45 -0.75 4.34 3.93 2olsA1 ALA 763 HB3 0.09 0.12 0.10 -0.04 1.41 1.68 2olsA1 LYS 764 H 0.16 0.44 -0.24 -0.55 8.42 8.22 2olsA1 LYS 764 HA 0.07 0.07 0.36 -0.75 4.32 4.07 2olsA1 LYS 764 HB2 0.19 0.08 0.19 -0.04 1.87 2.29 2olsA1 LYS 764 HB3 0.16 0.07 0.07 -0.04 1.79 2.05 2olsA1 LYS 764 HG2 0.09 -0.03 -0.02 -0.04 1.46 1.46 2olsA1 LYS 764 HG3 0.06 0.01 0.02 -0.04 1.46 1.51 2olsA1 LYS 764 HD2 0.04 0.04 -0.00 -0.04 1.69 1.73 2olsA1 LYS 764 HD3 0.13 0.03 -0.01 -0.04 1.68 1.79 2olsA1 LYS 764 HE2 0.22 0.02 -0.06 -0.04 2.99 3.13 2olsA1 LYS 764 HE3 0.32 0.03 -0.16 -0.04 2.99 3.14 2olsA1 TRP 765 H 0.27 0.53 -0.16 -0.55 7.97 8.07 2olsA1 TRP 765 HA -0.02 0.02 0.43 -0.75 4.62 4.31 2olsA1 TRP 765 HB2 0.04 0.04 0.14 -0.04 3.23 3.42 2olsA1 TRP 765 HB3 -0.06 0.11 0.14 -0.04 3.23 3.38 2olsA1 TRP 765 HD1 0.02 0.00 0.00 -0.04 7.22 7.20 2olsA1 TRP 765 HE1 0.00 -0.01 -0.04 -0.04 10.20 10.11 2olsA1 TRP 765 HE3 -0.24 0.07 -0.22 -0.04 7.59 7.16 2olsA1 TRP 765 HZ2 0.03 0.00 -0.07 -0.04 7.44 7.36 2olsA1 TRP 765 HZ3 0.02 -0.05 -0.10 -0.04 7.13 6.95 2olsA1 TRP 765 HH2 0.09 0.04 0.02 -0.04 7.19 7.30 2olsA1 LEU 766 H 0.02 0.57 -0.24 -0.55 8.37 8.17 2olsA1 LEU 766 HA -0.31 0.00 0.44 -0.75 4.35 3.73 2olsA1 LEU 766 HB2 -0.16 0.14 0.11 -0.04 1.64 1.68 2olsA1 LEU 766 HB3 -0.16 -0.05 -0.04 -0.04 1.64 1.34 2olsA1 LEU 766 HG -0.45 0.16 -0.04 -0.04 1.64 1.26 2olsA1 LEU 766 HD13 -0.56 -0.05 -0.18 -0.04 0.93 0.10 2olsA1 LEU 766 HD23 -0.01 -0.02 -0.08 -0.04 0.89 0.74 2olsA1 VAL 767 H -0.09 0.56 -0.11 -0.55 8.24 8.06 2olsA1 VAL 767 HA -0.12 0.08 0.43 -0.75 4.13 3.76 2olsA1 VAL 767 HB -0.06 0.07 0.11 -0.04 2.12 2.20 2olsA1 VAL 767 HG13 -0.07 0.02 -0.16 -0.04 0.97 0.72 2olsA1 VAL 767 HG23 -0.06 0.04 -0.07 -0.04 0.95 0.82 2olsA1 GLU 768 H -0.14 0.52 -0.15 -0.55 8.60 8.29 2olsA1 GLU 768 HA -0.13 0.03 0.42 -0.75 4.29 3.86 2olsA1 GLU 768 HB2 -0.08 -0.02 0.10 -0.04 2.09 2.05 2olsA1 GLU 768 HB3 -0.20 0.10 0.19 -0.04 1.99 2.05 2olsA1 GLU 768 HG2 -0.20 0.01 -0.12 -0.04 2.34 1.99 2olsA1 GLU 768 HG3 -0.08 -0.05 0.02 -0.04 2.34 2.19 2olsA1 GLU 769 H -0.44 0.26 -0.43 -0.55 8.60 7.45 2olsA1 GLU 769 HA -0.32 0.03 0.54 -0.75 4.29 3.78 2olsA1 GLU 769 HB2 -0.54 0.08 0.09 -0.04 2.09 1.68 2olsA1 GLU 769 HB3 -0.39 -0.09 -0.02 -0.04 1.99 1.44 2olsA1 GLU 769 HG2 -1.71 0.21 -0.00 -0.04 2.34 0.80 2olsA1 GLU 769 HG3 -2.00 -0.14 -0.08 -0.04 2.34 0.08 2olsA1 GLY 770 H -0.20 0.39 -0.42 -0.55 8.43 7.66 2olsA1 GLY 770 HA2 -0.13 0.11 0.27 -0.51 4.01 3.76 2olsA1 GLY 770 HA3 -0.13 0.03 0.61 -0.51 4.01 4.01 2olsA1 ILE 771 H -0.17 0.40 0.08 -0.55 8.25 8.00 2olsA1 ILE 771 HA -0.15 0.02 0.53 -0.75 4.18 3.82 2olsA1 ILE 771 HB -0.15 0.02 0.03 -0.04 1.89 1.75 2olsA1 ILE 771 HG12 -0.10 -0.04 -0.03 -0.04 1.49 1.28 2olsA1 ILE 771 HG13 -0.15 0.05 0.11 -0.04 1.21 1.18 2olsA1 ILE 771 HG23 -0.12 -0.02 -0.32 -0.04 0.93 0.42 2olsA1 ILE 771 HD13 -0.09 -0.02 -0.18 -0.04 0.88 0.54 2olsA1 GLU 772 H -0.20 0.48 0.41 -0.55 8.60 8.74 2olsA1 GLU 772 HA -0.11 0.17 0.68 -0.75 4.29 4.29 2olsA1 GLU 772 HB2 -0.14 0.05 0.17 -0.04 2.09 2.13 2olsA1 GLU 772 HB3 -0.32 0.03 0.21 -0.04 1.99 1.87 2olsA1 GLU 772 HG2 0.04 -0.06 -0.12 -0.04 2.34 2.16 2olsA1 GLU 772 HG3 -0.03 0.04 0.10 -0.04 2.34 2.40 2olsA1 SER 773 H -0.17 0.25 0.27 -0.55 8.46 8.26 2olsA1 SER 773 HA -0.09 0.21 0.75 -0.75 4.49 4.61 2olsA1 SER 773 HB2 0.01 0.08 0.05 -0.04 3.95 4.06 2olsA1 SER 773 HB3 0.06 0.05 -0.34 -0.04 3.93 3.66 2olsA1 VAL 774 H -0.06 0.69 0.35 -0.55 8.24 8.67 2olsA1 VAL 774 HA -0.03 0.11 0.90 -0.75 4.13 4.35 2olsA1 VAL 774 HB -0.06 0.04 0.00 -0.04 2.12 2.06 2olsA1 VAL 774 HG13 -0.01 -0.02 -0.13 -0.04 0.97 0.77 2olsA1 VAL 774 HG23 -0.07 -0.00 -0.31 -0.04 0.95 0.53 2olsA1 SER 775 H 0.00 0.53 0.27 -0.55 8.46 8.72 2olsA1 SER 775 HA -0.01 0.34 0.77 -0.75 4.49 4.84 2olsA1 SER 775 HB2 0.01 -0.02 -0.01 -0.04 3.95 3.89 2olsA1 SER 775 HB3 -0.00 -0.06 -0.40 -0.04 3.93 3.42 2olsA1 LEU 776 H -0.03 0.63 0.25 -0.55 8.37 8.69 2olsA1 LEU 776 HA -0.02 0.05 0.71 -0.75 4.35 4.34 2olsA1 LEU 776 HB2 -0.01 0.14 -0.07 -0.04 1.64 1.66 2olsA1 LEU 776 HB3 -0.02 -0.00 -0.11 -0.04 1.64 1.47 2olsA1 LEU 776 HG -0.00 -0.02 -0.41 -0.04 1.64 1.16 2olsA1 LEU 776 HD13 0.02 0.04 -0.17 -0.04 0.93 0.78 2olsA1 LEU 776 HD23 0.01 0.01 -0.12 -0.04 0.89 0.75 2olsA1 ASN 777 H -0.05 0.07 0.13 -0.55 8.53 8.14 2olsA1 ASN 777 HA -0.13 0.27 0.68 -0.75 4.76 4.82 2olsA1 ASN 777 HB2 -0.06 -0.03 0.10 -0.04 2.88 2.85 2olsA1 ASN 777 HB3 -0.09 0.03 0.06 -0.04 2.79 2.75 2olsA1 ASN 777 HD21 -0.04 -0.03 0.02 -0.04 7.03 6.95 2olsA1 ASN 777 HD22 -0.05 0.04 0.02 -0.04 7.74 7.72 2olsA1 PRO 778 HA -0.18 0.14 0.36 -0.51 4.44 4.25 2olsA1 PRO 778 HB2 -0.40 -0.01 0.09 -0.04 2.28 1.91 2olsA1 PRO 778 HB3 -0.53 0.14 0.09 -0.04 2.02 1.68 2olsA1 PRO 778 HG2 -1.60 0.01 0.09 -0.04 2.03 0.49 2olsA1 PRO 778 HG3 -0.82 0.09 0.08 -0.04 2.03 1.33 2olsA1 PRO 778 HD2 -0.32 0.02 0.28 -0.04 3.68 3.62 2olsA1 PRO 778 HD3 -0.31 0.36 0.38 -0.04 3.65 4.04 2olsA1 ASP 779 H -0.11 0.07 -0.30 -0.55 8.40 7.52 2olsA1 ASP 779 HA -0.03 0.17 0.45 -0.75 4.63 4.48 2olsA1 ASP 779 HB2 -0.04 0.06 0.15 -0.04 2.71 2.84 2olsA1 ASP 779 HB3 -0.03 0.02 0.07 -0.04 2.70 2.72 2olsA1 THR 780 H -0.05 0.66 -0.38 -0.55 8.28 7.97 2olsA1 THR 780 HA -0.01 0.19 0.80 -0.75 4.39 4.61 2olsA1 THR 780 HB -0.02 -0.03 0.14 -0.04 4.32 4.37 2olsA1 THR 780 HG23 -0.04 -0.02 -0.11 -0.04 1.22 1.02 2olsA1 VAL 781 H -0.00 0.43 -0.06 -0.55 8.24 8.07 2olsA1 VAL 781 HA 0.07 0.02 0.17 -0.75 4.13 3.63 2olsA1 VAL 781 HB 0.03 0.17 0.19 -0.04 2.12 2.48 2olsA1 VAL 781 HG13 0.20 0.03 -0.15 -0.04 0.97 1.01 2olsA1 VAL 781 HG23 -0.00 -0.00 -0.18 -0.04 0.95 0.73 2olsA1 ILE 782 H 0.04 0.15 0.01 -0.55 8.25 7.91 2olsA1 ILE 782 HA 0.07 0.17 0.38 -0.75 4.18 4.05 2olsA1 ILE 782 HB 0.00 -0.05 0.12 -0.04 1.89 1.92 2olsA1 ILE 782 HG12 -0.06 0.05 0.10 -0.04 1.49 1.55 2olsA1 ILE 782 HG13 -0.10 0.09 0.10 -0.04 1.21 1.25 2olsA1 ILE 782 HG23 -0.04 0.02 -0.05 -0.04 0.93 0.82 2olsA1 ILE 782 HD13 0.00 -0.02 0.08 -0.04 0.88 0.90 2olsA1 GLU 783 H 0.05 0.08 -0.31 -0.55 8.60 7.87 2olsA1 GLU 783 HA 0.07 0.08 0.25 -0.75 4.29 3.93 2olsA1 GLU 783 HB2 0.03 0.04 0.04 -0.04 2.09 2.16 2olsA1 GLU 783 HB3 0.03 0.02 0.01 -0.04 1.99 2.02 2olsA1 GLU 783 HG2 0.00 0.03 0.02 -0.04 2.34 2.35 2olsA1 GLU 783 HG3 0.02 0.01 -0.01 -0.04 2.34 2.32 2olsA1 THR 784 H 0.09 0.37 -0.17 -0.55 8.28 8.02 2olsA1 THR 784 HA 0.12 0.04 0.39 -0.75 4.39 4.19 2olsA1 THR 784 HB 0.08 0.08 0.03 -0.04 4.32 4.46 2olsA1 THR 784 HG23 0.05 -0.01 -0.19 -0.04 1.22 1.04 2olsA1 TRP 785 H 0.29 0.59 -0.05 -0.55 7.97 8.25 2olsA1 TRP 785 HA 0.03 -0.02 0.45 -0.75 4.62 4.32 2olsA1 TRP 785 HB2 0.01 0.07 0.14 -0.04 3.23 3.41 2olsA1 TRP 785 HB3 0.02 0.07 0.14 -0.04 3.23 3.42 2olsA1 TRP 785 HD1 0.01 -0.10 -0.32 -0.04 7.22 6.77 2olsA1 TRP 785 HE1 0.00 0.50 -0.12 -0.04 10.20 10.54 2olsA1 TRP 785 HE3 0.00 0.01 0.01 -0.04 7.59 7.57 2olsA1 TRP 785 HZ2 0.00 0.07 -0.06 -0.04 7.44 7.41 2olsA1 TRP 785 HZ3 0.01 0.05 -0.45 -0.04 7.13 6.70 2olsA1 TRP 785 HH2 0.01 0.01 -0.12 -0.04 7.19 7.05 2olsA1 LEU 786 H 0.24 0.56 -0.22 -0.55 8.37 8.40 2olsA1 LEU 786 HA 0.18 0.05 0.33 -0.75 4.35 4.16 2olsA1 LEU 786 HB2 0.10 0.06 0.13 -0.04 1.64 1.90 2olsA1 LEU 786 HB3 0.07 -0.06 -0.02 -0.04 1.64 1.59 2olsA1 LEU 786 HG 0.00 0.16 0.06 -0.04 1.64 1.81 2olsA1 LEU 786 HD13 -0.01 -0.03 -0.20 -0.04 0.93 0.65 2olsA1 LEU 786 HD23 -0.05 -0.00 -0.02 -0.04 0.89 0.77 2olsA1 TYR 787 H 0.24 0.61 0.02 -0.55 8.29 8.61 2olsA1 TYR 787 HA 0.05 -0.00 0.49 -0.75 4.56 4.35 2olsA1 TYR 787 HB2 0.05 0.00 0.13 -0.04 3.06 3.20 2olsA1 TYR 787 HB3 0.05 0.08 0.17 -0.04 2.98 3.24 2olsA1 TYR 787 HD2 0.03 0.02 -0.09 -0.04 7.15 7.07 2olsA1 TYR 787 HE2 0.04 0.01 -0.03 -0.04 6.85 6.82 2olsA1 LEU 788 H 0.20 0.66 -0.14 -0.55 8.37 8.55 2olsA1 LEU 788 HA -0.03 -0.00 0.50 -0.75 4.35 4.07 2olsA1 LEU 788 HB2 0.03 0.15 0.14 -0.04 1.64 1.92 2olsA1 LEU 788 HB3 -0.02 -0.06 -0.01 -0.04 1.64 1.51 2olsA1 LEU 788 HG 0.19 0.07 -0.01 -0.04 1.64 1.85 2olsA1 LEU 788 HD13 -0.02 -0.04 -0.14 -0.04 0.93 0.70 2olsA1 LEU 788 HD23 0.11 -0.03 -0.12 -0.04 0.89 0.81 2olsA1 ALA 789 H 0.14 0.61 -0.03 -0.55 8.40 8.57 2olsA1 ALA 789 HA 0.05 0.10 0.56 -0.75 4.34 4.30 2olsA1 ALA 789 HB3 0.23 -0.02 -0.03 -0.04 1.41 1.55 2olsA1 ASN 790 H 0.01 0.61 -0.09 -0.55 8.53 8.52 2olsA1 ASN 790 HA -0.02 0.03 0.49 -0.75 4.76 4.51 2olsA1 ASN 790 HB2 -0.01 0.04 0.13 -0.04 2.88 3.00 2olsA1 ASN 790 HB3 -0.11 0.06 0.12 -0.04 2.79 2.82 2olsA1 ASN 790 HD21 -0.01 -0.08 0.02 -0.04 7.03 6.92 2olsA1 ASN 790 HD22 -0.01 0.02 0.05 -0.04 7.74 7.77 2olsA1 GLU 791 H -0.17 0.33 -0.34 -0.55 8.60 7.88 2olsA1 GLU 791 HA -0.13 -0.02 0.52 -0.75 4.29 3.91 2olsA1 GLU 791 HB2 -0.34 0.17 0.17 -0.04 2.09 2.05 2olsA1 GLU 791 HB3 -0.11 0.06 -0.02 -0.04 1.99 1.88 2olsA1 GLU 791 HG2 -0.09 -0.09 0.01 -0.04 2.34 2.13 2olsA1 GLU 791 HG3 -0.08 -0.02 0.11 -0.04 2.34 2.30 2olsA1 LEU 792 H -0.04 0.35 -0.56 -0.55 8.37 7.57 2olsA1 LEU 792 HA -0.03 0.06 0.27 -0.75 4.35 3.89 2olsA1 LEU 792 HB2 -0.03 -0.01 0.01 -0.04 1.64 1.57 2olsA1 LEU 792 HB3 -0.01 0.24 0.12 -0.04 1.64 1.95 2olsA1 LEU 792 HG -0.01 -0.04 0.00 -0.04 1.64 1.55 2olsA1 LEU 792 HD13 -0.03 -0.02 -0.01 -0.04 0.93 0.83 2olsA1 LEU 792 HD23 -0.01 0.01 -0.21 -0.04 0.89 0.64