============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 3 0.840 -0.219 27.905 16.401 -99.200 -91.000 PHE 8 1.000 7.454 25.769 10.577 -99.200 -91.000 TRP 14 1.040 12.884 38.481 10.659 -99.200 -91.000 TRP6 14 1.020 12.285 40.408 9.443 -99.200 -91.000 TYR 18 0.840 24.084 36.507 15.251 -99.200 -91.000 TYR 19 0.840 23.019 32.962 7.739 -99.200 -91.000 HIS 24 0.900 24.428 41.419 2.711 -99.200 -91.000 PHE 49 1.000 13.849 27.030 13.780 -99.200 -91.000 TRP 51 1.040 20.590 27.794 16.491 -99.200 -91.000 TRP6 51 1.020 21.183 25.647 17.266 -99.200 -91.000 TYR 81 0.840 8.470 38.581 6.649 -99.200 -91.000 TYR 88 0.840 22.543 24.032 22.264 -99.200 -91.000 TRP 104 1.040 24.113 29.680 33.068 -99.200 -91.000 TRP6 104 1.020 21.997 30.228 32.184 -99.200 -91.000 TYR 114 0.840 16.770 25.779 30.748 -99.200 -91.000 TYR 117 0.840 17.591 30.332 28.387 -99.200 -91.000 PHE 128 1.000 8.455 42.107 20.878 -99.200 -91.000 TYR 161 0.840 20.495 17.221 29.854 -99.200 -91.000 TYR 167 0.840 10.119 26.453 34.931 -99.200 -91.000 HIS 176 0.900 2.981 34.382 21.365 -99.200 -91.000 TYR 180 0.840 7.486 21.875 15.370 -99.200 -91.000 HIS 185 0.900 21.879 11.954 13.302 -99.200 -91.000 TRP 188 1.040 21.762 9.834 19.515 -99.200 -91.000 TRP6 188 1.020 22.005 12.010 20.356 -99.200 -91.000 TRP 191 1.040 21.936 3.783 14.338 -99.200 -91.000 TRP6 191 1.020 22.914 2.321 12.773 -99.200 -91.000 PHE 202 1.000 12.492 12.809 22.539 -99.200 -91.000 TYR 206 0.840 2.235 15.547 23.761 -99.200 -91.000 TYR 225 0.840 26.939 17.952 8.653 -99.200 -91.000 TRP 228 1.040 12.133 14.345 2.643 -99.200 -91.000 TRP6 228 1.020 10.907 13.651 4.532 -99.200 -91.000 TYR 236 0.840 27.478 9.076 5.231 -99.200 -91.000 TYR 243 0.840 18.102 4.692 3.021 -99.200 -91.000 HIS 247 0.900 13.840 4.774 4.223 -99.200 -91.000 TYR 248 0.840 14.472 9.480 13.694 -99.200 -91.000 PHE 252 1.000 10.969 9.083 17.164 -99.200 -91.000 PHE 261 1.000 4.995 14.161 21.214 -99.200 -91.000 PHE 265 1.000 8.647 13.406 13.698 -99.200 -91.000 TRP 282 1.040 24.430 9.055 9.881 -99.200 -91.000 TRP6 282 1.020 22.856 7.330 9.711 -99.200 -91.000 HIS 284 0.900 33.897 10.780 11.760 -99.200 -91.000 TRP 285 1.040 29.548 15.892 16.548 -99.200 -91.000 TRP6 285 1.020 30.402 18.004 17.196 -99.200 -91.000 PHE 293 1.000 24.363 27.649 2.624 -99.200 -91.000 HIS 303 0.900 5.831 12.112 5.367 -99.200 -91.000 TYR 305 0.840 2.961 10.282 9.766 -99.200 -91.000 PHE 309 1.000 11.014 18.660 3.936 -99.200 -91.000 TRP 311 1.040 17.973 25.902 5.027 -99.200 -91.000 TRP6 311 1.020 19.470 27.341 3.926 -99.200 -91.000 TYR 329 0.840 40.553 19.577 19.545 -99.200 -91.000 TYR 331 0.840 36.733 12.704 19.864 -99.200 -91.000 HIS 332 0.900 33.174 13.742 18.170 -99.200 -91.000 TRP 348 1.040 31.056 33.895 8.243 -99.200 -91.000 TRP6 348 1.020 28.806 33.236 8.016 -99.200 -91.000 PHE 349 1.000 35.444 26.711 9.049 -99.200 -91.000 TYR 352 0.840 31.033 23.692 6.881 -99.200 -91.000 PHE 353 1.000 28.164 32.076 3.148 -99.200 -91.000 PHE 364 1.000 21.180 29.643 -1.879 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1oc5A1 ALA 87 HA 0.02 -0.14 0.17 -0.75 4.34 3.64 1oc5A1 ALA 87 HB3 0.02 -0.02 0.01 -0.04 1.41 1.38 1oc5A1 PRO 88 HA 0.05 0.30 0.49 -0.51 4.44 4.77 1oc5A1 PRO 88 HB2 -0.05 0.02 -0.04 -0.04 2.28 2.17 1oc5A1 PRO 88 HB3 -0.03 -0.03 0.09 -0.04 2.02 2.00 1oc5A1 PRO 88 HG2 0.00 -0.01 -0.01 -0.04 2.03 1.97 1oc5A1 PRO 88 HG3 -0.01 -0.04 0.04 -0.04 2.03 1.98 1oc5A1 PRO 88 HD2 0.02 0.07 0.15 -0.04 3.68 3.88 1oc5A1 PRO 88 HD3 0.01 0.07 0.12 -0.04 3.65 3.81 1oc5A1 TYR 89 H -0.29 0.33 0.25 -0.55 8.29 8.03 1oc5A1 TYR 89 HA 0.00 0.06 0.55 -0.75 4.56 4.42 1oc5A1 TYR 89 HB2 0.00 0.01 -0.01 -0.04 3.06 3.02 1oc5A1 TYR 89 HB3 0.00 0.11 -0.17 -0.04 2.98 2.88 1oc5A1 TYR 89 HD2 0.00 0.09 -0.36 -0.04 7.15 6.85 1oc5A1 TYR 89 HE2 -0.03 0.09 -0.25 -0.04 6.85 6.62 1oc5A1 ASN 90 H 0.12 0.20 0.10 -0.55 8.53 8.40 1oc5A1 ASN 90 HA -0.11 0.20 0.92 -0.75 4.76 5.02 1oc5A1 ASN 90 HB2 0.03 -0.02 0.05 -0.04 2.88 2.89 1oc5A1 ASN 90 HB3 0.00 -0.03 0.04 -0.04 2.79 2.76 1oc5A1 ASN 90 HD21 -0.01 -0.01 -0.07 -0.04 7.03 6.90 1oc5A1 ASN 90 HD22 0.01 -0.01 -0.04 -0.04 7.74 7.66 1oc5A1 GLY 91 H 0.02 0.14 0.10 -0.55 8.43 8.14 1oc5A1 GLY 91 HA2 0.07 0.02 0.30 -0.51 4.01 3.89 1oc5A1 GLY 91 HA3 0.09 -0.02 0.27 -0.51 4.01 3.84 1oc5A1 ASN 92 H 0.10 0.06 0.17 -0.55 8.53 8.32 1oc5A1 ASN 92 HA 0.17 0.10 0.39 -0.75 4.76 4.67 1oc5A1 ASN 92 HB2 0.10 0.02 0.15 -0.04 2.88 3.11 1oc5A1 ASN 92 HB3 0.10 -0.01 0.23 -0.04 2.79 3.06 1oc5A1 ASN 92 HD21 0.04 0.50 0.24 -0.04 7.03 7.76 1oc5A1 ASN 92 HD22 0.05 -0.03 0.12 -0.04 7.74 7.83 1oc5A1 PRO 93 HA -0.38 0.20 0.30 -0.51 4.44 4.05 1oc5A1 PRO 93 HB2 -0.47 -0.00 -0.14 -0.04 2.28 1.62 1oc5A1 PRO 93 HB3 -0.73 0.14 -0.03 -0.04 2.02 1.36 1oc5A1 PRO 93 HG2 0.07 -0.07 -0.09 -0.04 2.03 1.90 1oc5A1 PRO 93 HG3 0.05 0.02 -0.02 -0.04 2.03 2.04 1oc5A1 PRO 93 HD2 0.28 -0.05 0.17 -0.04 3.68 4.04 1oc5A1 PRO 93 HD3 0.18 0.35 0.21 -0.04 3.65 4.34 1oc5A1 PHE 94 H 0.28 0.01 -0.43 -0.55 8.34 7.65 1oc5A1 PHE 94 HA -0.04 0.17 0.53 -0.75 4.62 4.53 1oc5A1 PHE 94 HB2 -0.02 0.08 -0.03 -0.04 3.15 3.14 1oc5A1 PHE 94 HB3 -0.03 -0.07 0.01 -0.04 3.06 2.93 1oc5A1 PHE 94 HD2 0.01 -0.00 -0.16 -0.04 7.28 7.09 1oc5A1 PHE 94 HE2 -0.05 -0.02 -0.20 -0.04 7.38 7.07 1oc5A1 PHE 94 HZ 0.06 -0.08 -0.22 -0.04 7.32 7.04 1oc5A1 GLU 95 H 0.08 0.42 -0.31 -0.55 8.60 8.25 1oc5A1 GLU 95 HA 0.05 0.01 0.72 -0.75 4.29 4.32 1oc5A1 GLU 95 HB2 0.06 0.00 0.15 -0.04 2.09 2.26 1oc5A1 GLU 95 HB3 0.04 0.00 -0.04 -0.04 1.99 1.95 1oc5A1 GLU 95 HG2 0.04 -0.04 0.04 -0.04 2.34 2.34 1oc5A1 GLU 95 HG3 0.07 -0.04 0.03 -0.04 2.34 2.36 1oc5A1 GLY 96 H 0.02 0.09 0.17 -0.55 8.43 8.16 1oc5A1 GLY 96 HA2 0.00 -0.06 0.33 -0.51 4.01 3.77 1oc5A1 GLY 96 HA3 0.01 0.11 0.44 -0.51 4.01 4.06 1oc5A1 VAL 97 H -0.00 0.21 -0.37 -0.55 8.24 7.54 1oc5A1 VAL 97 HA -0.04 0.17 0.68 -0.75 4.13 4.19 1oc5A1 VAL 97 HB -0.03 0.09 -0.04 -0.04 2.12 2.09 1oc5A1 VAL 97 HG13 -0.05 -0.01 -0.25 -0.04 0.97 0.62 1oc5A1 VAL 97 HG23 -0.07 -0.02 -0.32 -0.04 0.95 0.49 1oc5A1 GLN 98 H -0.09 0.63 0.04 -0.55 8.47 8.51 1oc5A1 GLN 98 HA -0.00 0.08 0.76 -0.75 4.36 4.44 1oc5A1 GLN 98 HB2 -0.45 -0.03 -0.19 -0.04 2.15 1.44 1oc5A1 GLN 98 HB3 -0.08 -0.01 -0.02 -0.04 2.02 1.87 1oc5A1 GLN 98 HG2 -0.12 -0.05 -0.06 -0.04 2.40 2.13 1oc5A1 GLN 98 HG3 -0.23 0.14 -0.22 -0.04 2.39 2.03 1oc5A1 GLN 98 HE21 -0.32 -0.14 -0.12 -0.04 6.97 6.35 1oc5A1 GLN 98 HE22 -0.36 0.50 -0.31 -0.04 7.69 7.48 1oc5A1 LEU 99 H 0.10 0.15 0.11 -0.55 8.37 8.19 1oc5A1 LEU 99 HA 0.15 0.20 0.93 -0.75 4.35 4.87 1oc5A1 LEU 99 HB2 0.07 -0.00 0.08 -0.04 1.64 1.75 1oc5A1 LEU 99 HB3 0.07 0.05 -0.05 -0.04 1.64 1.66 1oc5A1 LEU 99 HG 0.13 -0.02 -0.17 -0.04 1.64 1.54 1oc5A1 LEU 99 HD13 0.21 -0.01 -0.11 -0.04 0.93 0.98 1oc5A1 LEU 99 HD23 0.05 0.02 -0.21 -0.04 0.89 0.70 1oc5A1 TRP 100 H 0.31 0.54 0.24 -0.55 7.97 8.51 1oc5A1 TRP 100 HA -0.22 0.05 0.44 -0.75 4.62 4.13 1oc5A1 TRP 100 HB2 -0.13 0.02 -0.01 -0.04 3.23 3.07 1oc5A1 TRP 100 HB3 -0.09 -0.02 0.11 -0.04 3.23 3.18 1oc5A1 TRP 100 HD1 -0.08 -0.10 -0.22 -0.04 7.22 6.77 1oc5A1 TRP 100 HE1 -0.07 -0.24 -0.04 -0.04 10.20 9.80 1oc5A1 TRP 100 HE3 -1.61 0.02 -0.05 -0.04 7.59 5.91 1oc5A1 TRP 100 HZ2 -0.10 -0.12 -0.05 -0.04 7.44 7.14 1oc5A1 TRP 100 HZ3 -0.46 0.01 -0.02 -0.04 7.13 6.62 1oc5A1 TRP 100 HH2 -0.13 -0.02 -0.04 -0.04 7.19 6.96 1oc5A1 ALA 101 H -0.67 0.19 0.15 -0.55 8.40 7.52 1oc5A1 ALA 101 HA -0.20 0.03 0.77 -0.75 4.34 4.19 1oc5A1 ALA 101 HB3 -0.25 0.08 -0.12 -0.04 1.41 1.07 1oc5A1 ASN 102 H -0.06 0.16 0.17 -0.55 8.53 8.25 1oc5A1 ASN 102 HA -0.05 0.14 0.38 -0.75 4.76 4.49 1oc5A1 ASN 102 HB2 0.26 -0.11 0.16 -0.04 2.88 3.15 1oc5A1 ASN 102 HB3 0.24 0.18 0.10 -0.04 2.79 3.27 1oc5A1 ASN 102 HD21 0.22 0.02 -0.03 -0.04 7.03 7.21 1oc5A1 ASN 102 HD22 0.15 0.29 0.11 -0.04 7.74 8.24 1oc5A1 ASN 103 H 0.21 0.18 0.17 -0.55 8.53 8.54 1oc5A1 ASN 103 HA 0.00 0.18 0.60 -0.75 4.76 4.79 1oc5A1 ASN 103 HB2 0.15 -0.01 0.13 -0.04 2.88 3.11 1oc5A1 ASN 103 HB3 0.06 0.01 0.06 -0.04 2.79 2.88 1oc5A1 ASN 103 HD21 0.18 0.08 0.00 -0.04 7.03 7.25 1oc5A1 ASN 103 HD22 0.25 -0.03 0.03 -0.04 7.74 7.95 1oc5A1 TYR 104 H 0.27 0.07 -0.15 -0.55 8.29 7.93 1oc5A1 TYR 104 HA 0.04 0.11 0.50 -0.75 4.56 4.45 1oc5A1 TYR 104 HB2 0.10 0.00 0.12 -0.04 3.06 3.24 1oc5A1 TYR 104 HB3 0.15 -0.02 0.14 -0.04 2.98 3.20 1oc5A1 TYR 104 HD2 0.14 0.01 -0.10 -0.04 7.15 7.16 1oc5A1 TYR 104 HE2 0.11 0.02 -0.01 -0.04 6.85 6.93 1oc5A1 TYR 105 H 0.40 0.13 -0.11 -0.55 8.29 8.15 1oc5A1 TYR 105 HA 0.13 0.02 0.30 -0.75 4.56 4.26 1oc5A1 TYR 105 HB2 0.27 -0.03 0.10 -0.04 3.06 3.35 1oc5A1 TYR 105 HB3 0.13 0.17 0.12 -0.04 2.98 3.36 1oc5A1 TYR 105 HD2 0.24 0.05 -0.08 -0.04 7.15 7.32 1oc5A1 TYR 105 HE2 0.39 0.08 -0.23 -0.04 6.85 7.05 1oc5A1 ARG 106 H 0.11 0.37 -0.20 -0.55 8.46 8.18 1oc5A1 ARG 106 HA -0.00 0.07 0.36 -0.75 4.34 4.02 1oc5A1 ARG 106 HB2 -0.02 0.25 0.08 -0.04 1.90 2.18 1oc5A1 ARG 106 HB3 -0.03 -0.07 0.10 -0.04 1.80 1.76 1oc5A1 ARG 106 HG2 0.02 -0.10 -0.12 -0.04 1.67 1.44 1oc5A1 ARG 106 HG3 0.09 0.04 0.01 -0.04 1.67 1.77 1oc5A1 ARG 106 HD2 -0.11 -0.06 -0.04 -0.04 3.22 2.97 1oc5A1 ARG 106 HD3 -0.16 -0.04 -0.04 -0.04 3.22 2.94 1oc5A1 SER 107 H -0.09 0.45 -0.37 -0.55 8.46 7.90 1oc5A1 SER 107 HA -0.12 0.01 0.43 -0.75 4.49 4.06 1oc5A1 SER 107 HB2 -0.21 0.00 0.22 -0.04 3.95 3.92 1oc5A1 SER 107 HB3 -0.18 0.00 0.02 -0.04 3.93 3.73 1oc5A1 GLU 108 H -0.42 0.55 -0.08 -0.55 8.60 8.10 1oc5A1 GLU 108 HA -0.66 -0.03 0.51 -0.75 4.29 3.36 1oc5A1 GLU 108 HB2 -0.88 0.18 0.15 -0.04 2.09 1.50 1oc5A1 GLU 108 HB3 -1.59 -0.09 0.00 -0.04 1.99 0.27 1oc5A1 GLU 108 HG2 -0.40 -0.07 0.03 -0.04 2.34 1.86 1oc5A1 GLU 108 HG3 -0.53 0.21 0.06 -0.04 2.34 2.03 1oc5A1 VAL 109 H -0.69 0.60 -0.15 -0.55 8.24 7.45 1oc5A1 VAL 109 HA -0.94 -0.06 0.40 -0.75 4.13 2.78 1oc5A1 VAL 109 HB -0.40 0.13 0.16 -0.04 2.12 1.97 1oc5A1 VAL 109 HG13 -0.30 0.03 -0.15 -0.04 0.97 0.51 1oc5A1 VAL 109 HG23 -0.62 0.03 -0.02 -0.04 0.95 0.30 1oc5A1 HIS 110 H -0.21 0.68 0.03 -0.55 8.41 8.36 1oc5A1 HIS 110 HA -0.15 0.02 0.49 -0.75 4.63 4.24 1oc5A1 HIS 110 HB2 -0.16 0.06 0.13 -0.04 3.26 3.25 1oc5A1 HIS 110 HB3 -0.11 -0.03 0.02 -0.04 3.20 3.03 1oc5A1 HIS 110 HD2 -0.13 0.19 0.11 -0.04 6.97 7.10 1oc5A1 HIS 110 HE1 -0.04 -0.01 0.01 -0.04 7.75 7.66 1oc5A1 THR 111 H -0.24 0.60 -0.08 -0.55 8.28 8.01 1oc5A1 THR 111 HA -0.10 0.18 0.74 -0.75 4.39 4.46 1oc5A1 THR 111 HB -0.11 -0.05 0.08 -0.04 4.32 4.20 1oc5A1 THR 111 HG23 -0.09 -0.01 -0.00 -0.04 1.22 1.07 1oc5A1 LEU 112 H -0.45 0.39 -0.01 -0.55 8.37 7.75 1oc5A1 LEU 112 HA -0.18 0.21 1.03 -0.75 4.35 4.66 1oc5A1 LEU 112 HB2 -1.01 0.10 0.13 -0.04 1.64 0.82 1oc5A1 LEU 112 HB3 -0.24 -0.08 0.07 -0.04 1.64 1.35 1oc5A1 LEU 112 HG -0.40 0.03 0.02 -0.04 1.64 1.26 1oc5A1 LEU 112 HD13 -0.24 -0.03 0.03 -0.04 0.93 0.65 1oc5A1 LEU 112 HD23 -0.12 0.03 -0.14 -0.04 0.89 0.62 1oc5A1 ALA 113 H -0.54 0.39 0.14 -0.55 8.40 7.84 1oc5A1 ALA 113 HA 0.09 0.01 0.45 -0.75 4.34 4.14 1oc5A1 ALA 113 HB3 -0.26 0.02 0.11 -0.04 1.41 1.23 1oc5A1 ILE 114 H -0.20 0.64 0.16 -0.55 8.25 8.31 1oc5A1 ILE 114 HA 0.01 -0.04 0.21 -0.75 4.18 3.60 1oc5A1 ILE 114 HB -0.12 0.16 0.16 -0.04 1.89 2.05 1oc5A1 ILE 114 HG12 -0.04 -0.05 0.03 -0.04 1.49 1.39 1oc5A1 ILE 114 HG13 -0.15 -0.00 -0.02 -0.04 1.21 0.99 1oc5A1 ILE 114 HG23 -0.01 -0.02 -0.06 -0.04 0.93 0.80 1oc5A1 ILE 114 HD13 -0.40 -0.02 -0.14 -0.04 0.88 0.28 1oc5A1 PRO 115 HA -0.00 0.07 0.38 -0.51 4.44 4.37 1oc5A1 PRO 115 HB2 -0.02 0.05 -0.15 -0.04 2.28 2.11 1oc5A1 PRO 115 HB3 -0.02 -0.04 0.05 -0.04 2.02 1.97 1oc5A1 PRO 115 HG2 -0.06 0.19 -0.07 -0.04 2.03 2.05 1oc5A1 PRO 115 HG3 -0.03 0.01 0.02 -0.04 2.03 1.98 1oc5A1 PRO 115 HD2 -0.10 0.03 -0.84 -0.04 3.68 2.73 1oc5A1 PRO 115 HD3 -0.10 0.21 -0.11 -0.04 3.65 3.62 1oc5A1 GLN 116 H 0.02 0.46 -0.55 -0.55 8.47 7.85 1oc5A1 GLN 116 HA 0.03 0.09 0.71 -0.75 4.36 4.44 1oc5A1 GLN 116 HB2 0.10 0.13 0.05 -0.04 2.15 2.39 1oc5A1 GLN 116 HB3 0.07 -0.13 0.14 -0.04 2.02 2.06 1oc5A1 GLN 116 HG2 0.04 -0.05 -0.03 -0.04 2.40 2.33 1oc5A1 GLN 116 HG3 0.04 0.21 -0.01 -0.04 2.39 2.59 1oc5A1 GLN 116 HE21 0.20 -0.21 0.02 -0.04 6.97 6.94 1oc5A1 GLN 116 HE22 0.12 0.65 0.13 -0.04 7.69 8.55 1oc5A1 ILE 117 H 0.04 0.68 -0.21 -0.55 8.25 8.21 1oc5A1 ILE 117 HA 0.06 0.02 0.85 -0.75 4.18 4.35 1oc5A1 ILE 117 HB 0.06 0.13 0.09 -0.04 1.89 2.13 1oc5A1 ILE 117 HG12 0.12 -0.06 -0.12 -0.04 1.49 1.39 1oc5A1 ILE 117 HG13 0.12 0.14 -0.26 -0.04 1.21 1.17 1oc5A1 ILE 117 HG23 0.06 -0.03 -0.23 -0.04 0.93 0.69 1oc5A1 ILE 117 HD13 0.24 -0.03 -0.22 -0.04 0.88 0.83 1oc5A1 THR 118 H 0.03 0.05 0.14 -0.55 8.28 7.95 1oc5A1 THR 118 HA 0.02 0.30 0.85 -0.75 4.39 4.80 1oc5A1 THR 118 HB 0.02 -0.02 0.04 -0.04 4.32 4.31 1oc5A1 THR 118 HG23 0.02 0.03 -0.14 -0.04 1.22 1.08 1oc5A1 ASP 119 H 0.03 0.00 0.07 -0.55 8.40 7.95 1oc5A1 ASP 119 HA 0.02 0.18 0.51 -0.75 4.63 4.58 1oc5A1 ASP 119 HB2 0.02 0.00 0.13 -0.04 2.71 2.82 1oc5A1 ASP 119 HB3 0.03 0.00 0.17 -0.04 2.70 2.86 1oc5A1 PRO 120 HA 0.02 0.13 0.37 -0.51 4.44 4.46 1oc5A1 PRO 120 HB2 0.02 -0.03 0.09 -0.04 2.28 2.32 1oc5A1 PRO 120 HB3 0.02 0.07 0.07 -0.04 2.02 2.14 1oc5A1 PRO 120 HG2 0.01 0.04 0.11 -0.04 2.03 2.15 1oc5A1 PRO 120 HG3 0.02 0.13 0.13 -0.04 2.03 2.26 1oc5A1 PRO 120 HD2 0.02 0.03 0.24 -0.04 3.68 3.93 1oc5A1 PRO 120 HD3 0.02 0.30 0.35 -0.04 3.65 4.28 1oc5A1 ALA 121 H 0.02 0.12 -0.15 -0.55 8.40 7.84 1oc5A1 ALA 121 HA 0.03 0.12 0.43 -0.75 4.34 4.17 1oc5A1 ALA 121 HB3 0.03 0.03 0.05 -0.04 1.41 1.48 1oc5A1 LEU 122 H 0.03 0.06 -0.19 -0.55 8.37 7.72 1oc5A1 LEU 122 HA 0.04 0.10 0.44 -0.75 4.35 4.18 1oc5A1 LEU 122 HB2 0.03 0.00 0.08 -0.04 1.64 1.71 1oc5A1 LEU 122 HB3 0.04 0.03 -0.03 -0.04 1.64 1.64 1oc5A1 LEU 122 HG 0.02 -0.04 0.01 -0.04 1.64 1.59 1oc5A1 LEU 122 HD13 0.02 -0.00 0.02 -0.04 0.93 0.92 1oc5A1 LEU 122 HD23 0.00 0.02 -0.02 -0.04 0.89 0.85 1oc5A1 ARG 123 H 0.04 0.57 -0.22 -0.55 8.46 8.29 1oc5A1 ARG 123 HA 0.05 0.04 0.46 -0.75 4.34 4.13 1oc5A1 ARG 123 HB2 0.03 0.08 0.03 -0.04 1.90 2.00 1oc5A1 ARG 123 HB3 0.02 -0.03 -0.04 -0.04 1.80 1.72 1oc5A1 ARG 123 HG2 0.03 0.09 -0.07 -0.04 1.67 1.68 1oc5A1 ARG 123 HG3 0.03 0.03 -0.31 -0.04 1.67 1.38 1oc5A1 ARG 123 HD2 0.02 0.15 -0.15 -0.04 3.22 3.19 1oc5A1 ARG 123 HD3 0.02 -0.09 -0.25 -0.04 3.22 2.86 1oc5A1 ALA 124 H 0.04 0.47 -0.19 -0.55 8.40 8.17 1oc5A1 ALA 124 HA 0.04 0.04 0.42 -0.75 4.34 4.08 1oc5A1 ALA 124 HB3 0.04 0.02 0.10 -0.04 1.41 1.53 1oc5A1 ALA 125 H 0.05 0.49 -0.15 -0.55 8.40 8.25 1oc5A1 ALA 125 HA 0.12 -0.02 0.48 -0.75 4.34 4.17 1oc5A1 ALA 125 HB3 0.08 0.03 0.12 -0.04 1.41 1.61 1oc5A1 ALA 126 H 0.03 0.60 -0.18 -0.55 8.40 8.32 1oc5A1 ALA 126 HA 0.10 0.00 0.43 -0.75 4.34 4.11 1oc5A1 ALA 126 HB3 0.20 0.02 0.06 -0.04 1.41 1.65 1oc5A1 SER 127 H -0.00 0.59 -0.15 -0.55 8.46 8.35 1oc5A1 SER 127 HA -0.12 -0.01 0.47 -0.75 4.49 4.08 1oc5A1 SER 127 HB2 0.02 0.00 0.12 -0.04 3.95 4.05 1oc5A1 SER 127 HB3 0.04 0.00 0.11 -0.04 3.93 4.04 1oc5A1 ALA 128 H 0.01 0.38 -0.38 -0.55 8.40 7.86 1oc5A1 ALA 128 HA 0.05 0.04 0.39 -0.75 4.34 4.07 1oc5A1 ALA 128 HB3 0.18 0.02 0.09 -0.04 1.41 1.66 1oc5A1 VAL 129 H -0.27 0.49 -0.07 -0.55 8.24 7.83 1oc5A1 VAL 129 HA -0.40 0.05 0.48 -0.75 4.13 3.51 1oc5A1 VAL 129 HB -1.36 0.02 0.11 -0.04 2.12 0.86 1oc5A1 VAL 129 HG13 0.08 0.02 0.06 -0.04 0.97 1.09 1oc5A1 VAL 129 HG23 -0.71 -0.02 0.05 -0.04 0.95 0.23 1oc5A1 ALA 130 H 0.01 0.45 -0.32 -0.55 8.40 8.00 1oc5A1 ALA 130 HA 0.28 -0.03 0.25 -0.75 4.34 4.08 1oc5A1 ALA 130 HB3 0.03 0.02 0.08 -0.04 1.41 1.49 1oc5A1 GLU 131 H 0.01 0.35 -0.57 -0.55 8.60 7.85 1oc5A1 GLU 131 HA -0.08 0.08 0.77 -0.75 4.29 4.31 1oc5A1 GLU 131 HB2 -0.00 0.13 0.06 -0.04 2.09 2.24 1oc5A1 GLU 131 HB3 -0.05 -0.07 0.15 -0.04 1.99 1.99 1oc5A1 GLU 131 HG2 0.02 0.18 0.01 -0.04 2.34 2.52 1oc5A1 GLU 131 HG3 0.00 -0.07 0.02 -0.04 2.34 2.25 1oc5A1 VAL 132 H -0.05 0.51 -0.19 -0.55 8.24 7.95 1oc5A1 VAL 132 HA -0.22 0.15 0.70 -0.75 4.13 4.00 1oc5A1 VAL 132 HB -0.40 0.04 0.18 -0.04 2.12 1.90 1oc5A1 VAL 132 HG13 -1.42 -0.02 -0.09 -0.04 0.97 -0.60 1oc5A1 VAL 132 HG23 -0.09 0.02 0.04 -0.04 0.95 0.87 1oc5A1 PRO 133 HA -0.09 -0.03 0.52 -0.51 4.44 4.34 1oc5A1 PRO 133 HB2 -0.01 -0.04 -0.20 -0.04 2.28 1.99 1oc5A1 PRO 133 HB3 -0.05 0.09 -0.59 -0.04 2.02 1.43 1oc5A1 PRO 133 HG2 -0.08 -0.08 0.13 -0.04 2.03 1.96 1oc5A1 PRO 133 HG3 -0.03 0.11 0.08 -0.04 2.03 2.15 1oc5A1 PRO 133 HD2 -0.27 0.03 0.22 -0.04 3.68 3.62 1oc5A1 PRO 133 HD3 -0.13 0.32 0.29 -0.04 3.65 4.08 1oc5A1 SER 134 H 0.00 0.16 0.31 -0.55 8.46 8.38 1oc5A1 SER 134 HA 0.30 0.15 0.85 -0.75 4.49 5.03 1oc5A1 SER 134 HB2 0.31 0.06 -0.04 -0.04 3.95 4.24 1oc5A1 SER 134 HB3 0.37 -0.06 -0.02 -0.04 3.93 4.18 1oc5A1 PHE 135 H 0.61 0.47 0.33 -0.55 8.34 9.19 1oc5A1 PHE 135 HA 0.12 0.17 0.42 -0.75 4.62 4.57 1oc5A1 PHE 135 HB2 0.17 0.06 0.16 -0.04 3.15 3.51 1oc5A1 PHE 135 HB3 -0.07 -0.08 -0.26 -0.04 3.06 2.61 1oc5A1 PHE 135 HD2 0.01 0.06 -0.33 -0.04 7.28 6.97 1oc5A1 PHE 135 HE2 0.07 0.03 -0.23 -0.04 7.38 7.20 1oc5A1 PHE 135 HZ 0.12 0.04 -0.25 -0.04 7.32 7.20 1oc5A1 GLN 136 H 0.14 0.67 0.43 -0.55 8.47 9.16 1oc5A1 GLN 136 HA 0.31 0.08 0.85 -0.75 4.36 4.84 1oc5A1 GLN 136 HB2 0.15 0.02 0.14 -0.04 2.15 2.42 1oc5A1 GLN 136 HB3 0.10 0.07 0.24 -0.04 2.02 2.38 1oc5A1 GLN 136 HG2 0.08 -0.02 -0.23 -0.04 2.40 2.19 1oc5A1 GLN 136 HG3 0.03 -0.04 0.11 -0.04 2.39 2.45 1oc5A1 GLN 136 HE21 0.14 -0.04 0.06 -0.04 6.97 7.08 1oc5A1 GLN 136 HE22 0.06 -0.02 0.07 -0.04 7.69 7.75 1oc5A1 TRP 137 H 0.43 0.18 0.19 -0.55 7.97 8.23 1oc5A1 TRP 137 HA 0.12 0.08 0.79 -0.75 4.62 4.86 1oc5A1 TRP 137 HB2 0.07 -0.00 0.14 -0.04 3.23 3.40 1oc5A1 TRP 137 HB3 0.12 -0.03 -0.08 -0.04 3.23 3.21 1oc5A1 TRP 137 HD1 0.13 0.07 -0.22 -0.04 7.22 7.16 1oc5A1 TRP 137 HE1 0.10 0.64 -0.12 -0.04 10.20 10.78 1oc5A1 TRP 137 HE3 0.09 -0.01 -0.11 -0.04 7.59 7.52 1oc5A1 TRP 137 HZ2 -0.09 -0.14 -0.30 -0.04 7.44 6.87 1oc5A1 TRP 137 HZ3 -0.95 -0.00 -0.09 -0.04 7.13 6.04 1oc5A1 TRP 137 HH2 -0.26 -0.05 -0.14 -0.04 7.19 6.69 1oc5A1 LEU 138 H 0.19 0.86 0.29 -0.55 8.37 9.17 1oc5A1 LEU 138 HA 0.16 0.08 0.82 -0.75 4.35 4.64 1oc5A1 LEU 138 HB2 0.21 -0.03 0.29 -0.04 1.64 2.07 1oc5A1 LEU 138 HB3 0.18 -0.05 0.08 -0.04 1.64 1.81 1oc5A1 LEU 138 HG 0.08 0.10 -0.02 -0.04 1.64 1.76 1oc5A1 LEU 138 HD13 -0.02 0.00 -0.06 -0.04 0.93 0.82 1oc5A1 LEU 138 HD23 0.06 -0.00 -0.25 -0.04 0.89 0.66 1oc5A1 ASP 139 H 0.23 0.33 -0.27 -0.55 8.40 8.14 1oc5A1 ASP 139 HA 0.20 0.37 0.54 -0.75 4.63 4.98 1oc5A1 ASP 139 HB2 0.23 0.02 0.11 -0.04 2.71 3.03 1oc5A1 ASP 139 HB3 0.61 -0.05 -0.03 -0.04 2.70 3.18 1oc5A1 ARG 140 H 0.06 0.14 -0.15 -0.55 8.46 7.96 1oc5A1 ARG 140 HA -0.24 0.20 0.71 -0.75 4.34 4.25 1oc5A1 ARG 140 HB2 -0.01 -0.10 -0.02 -0.04 1.90 1.73 1oc5A1 ARG 140 HB3 -0.09 -0.01 0.08 -0.04 1.80 1.75 1oc5A1 ARG 140 HG2 -0.07 0.15 -0.05 -0.04 1.67 1.65 1oc5A1 ARG 140 HG3 -0.00 -0.12 -0.52 -0.04 1.67 0.98 1oc5A1 ARG 140 HD2 0.03 0.06 -0.07 -0.04 3.22 3.19 1oc5A1 ARG 140 HD3 0.02 -0.06 -0.04 -0.04 3.22 3.09 1oc5A1 ASN 141 H -0.33 0.22 0.12 -0.55 8.53 8.00 1oc5A1 ASN 141 HA 0.19 0.10 0.27 -0.75 4.76 4.56 1oc5A1 ASN 141 HB2 -0.22 0.05 0.12 -0.04 2.88 2.78 1oc5A1 ASN 141 HB3 0.09 0.01 0.10 -0.04 2.79 2.95 1oc5A1 ASN 141 HD21 0.28 0.05 -0.05 -0.04 7.03 7.27 1oc5A1 ASN 141 HD22 0.30 0.00 -0.06 -0.04 7.74 7.94 1oc5A1 VAL 142 H 0.02 0.10 -0.21 -0.55 8.24 7.60 1oc5A1 VAL 142 HA 0.08 0.10 0.39 -0.75 4.13 3.95 1oc5A1 VAL 142 HB 0.05 0.00 0.08 -0.04 2.12 2.21 1oc5A1 VAL 142 HG13 0.04 0.01 -0.11 -0.04 0.97 0.87 1oc5A1 VAL 142 HG23 0.06 0.02 0.03 -0.04 0.95 1.01 1oc5A1 THR 143 H 0.07 0.50 -0.37 -0.55 8.28 7.94 1oc5A1 THR 143 HA 0.06 -0.02 0.38 -0.75 4.39 4.06 1oc5A1 THR 143 HB 0.05 -0.02 0.14 -0.04 4.32 4.45 1oc5A1 THR 143 HG23 0.05 0.02 0.10 -0.04 1.22 1.34 1oc5A1 VAL 144 H 0.10 0.52 -0.23 -0.55 8.24 8.08 1oc5A1 VAL 144 HA 0.03 0.04 0.32 -0.75 4.13 3.77 1oc5A1 VAL 144 HB 0.10 0.07 0.17 -0.04 2.12 2.42 1oc5A1 VAL 144 HG13 -0.01 0.02 -0.15 -0.04 0.97 0.79 1oc5A1 VAL 144 HG23 0.06 -0.00 0.05 -0.04 0.95 1.01 1oc5A1 ASP 145 H 0.07 0.18 -0.07 -0.55 8.40 8.04 1oc5A1 ASP 145 HA 0.05 0.19 0.61 -0.75 4.63 4.72 1oc5A1 ASP 145 HB2 0.06 -0.03 0.08 -0.04 2.71 2.79 1oc5A1 ASP 145 HB3 0.05 0.03 0.10 -0.04 2.70 2.85 1oc5A1 THR 146 H 0.05 0.07 -0.64 -0.55 8.28 7.21 1oc5A1 THR 146 HA 0.05 0.25 0.92 -0.75 4.39 4.86 1oc5A1 THR 146 HB 0.07 0.00 0.05 -0.04 4.32 4.40 1oc5A1 THR 146 HG23 0.06 0.01 -0.07 -0.04 1.22 1.17 1oc5A1 LEU 147 H 0.05 0.12 0.18 -0.55 8.37 8.17 1oc5A1 LEU 147 HA 0.06 0.02 0.35 -0.75 4.35 4.03 1oc5A1 LEU 147 HB2 0.02 0.09 0.18 -0.04 1.64 1.90 1oc5A1 LEU 147 HB3 0.02 -0.02 0.04 -0.04 1.64 1.64 1oc5A1 LEU 147 HG 0.05 -0.03 0.14 -0.04 1.64 1.76 1oc5A1 LEU 147 HD13 -0.21 0.01 0.06 -0.04 0.93 0.75 1oc5A1 LEU 147 HD23 0.20 -0.01 0.03 -0.04 0.89 1.07 1oc5A1 LEU 148 H 0.02 0.57 -0.00 -0.55 8.37 8.41 1oc5A1 LEU 148 HA -0.03 0.01 0.35 -0.75 4.35 3.93 1oc5A1 LEU 148 HB2 -0.00 -0.09 0.07 -0.04 1.64 1.57 1oc5A1 LEU 148 HB3 -0.00 0.33 0.23 -0.04 1.64 2.15 1oc5A1 LEU 148 HG -0.06 0.04 -0.20 -0.04 1.64 1.39 1oc5A1 LEU 148 HD13 -0.04 -0.01 -0.02 -0.04 0.93 0.82 1oc5A1 LEU 148 HD23 -0.02 0.01 -0.02 -0.04 0.89 0.82 1oc5A1 VAL 149 H -0.01 0.22 -0.24 -0.55 8.24 7.67 1oc5A1 VAL 149 HA -0.14 0.07 0.31 -0.75 4.13 3.61 1oc5A1 VAL 149 HB 0.03 0.12 -0.04 -0.04 2.12 2.18 1oc5A1 VAL 149 HG13 0.11 -0.00 -0.10 -0.04 0.97 0.93 1oc5A1 VAL 149 HG23 0.07 0.05 0.04 -0.04 0.95 1.07 1oc5A1 GLN 150 H -0.02 0.56 -0.17 -0.55 8.47 8.29 1oc5A1 GLN 150 HA -0.02 0.03 0.43 -0.75 4.36 4.05 1oc5A1 GLN 150 HB2 0.04 0.01 0.13 -0.04 2.15 2.29 1oc5A1 GLN 150 HB3 0.04 -0.06 -0.00 -0.04 2.02 1.96 1oc5A1 GLN 150 HG2 0.03 -0.02 0.01 -0.04 2.40 2.38 1oc5A1 GLN 150 HG3 0.03 0.22 0.04 -0.04 2.39 2.64 1oc5A1 GLN 150 HE21 0.06 -0.05 -0.07 -0.04 6.97 6.87 1oc5A1 GLN 150 HE22 0.04 0.06 -0.03 -0.04 7.69 7.72 1oc5A1 THR 151 H -0.04 0.67 -0.03 -0.55 8.28 8.33 1oc5A1 THR 151 HA 0.01 -0.05 0.41 -0.75 4.39 4.00 1oc5A1 THR 151 HB -0.05 0.13 0.17 -0.04 4.32 4.53 1oc5A1 THR 151 HG23 0.04 -0.00 -0.09 -0.04 1.22 1.13 1oc5A1 LEU 152 H -0.33 0.60 -0.05 -0.55 8.37 8.04 1oc5A1 LEU 152 HA -0.43 0.04 0.44 -0.75 4.35 3.64 1oc5A1 LEU 152 HB2 -1.28 0.05 0.09 -0.04 1.64 0.46 1oc5A1 LEU 152 HB3 -1.12 0.03 0.05 -0.04 1.64 0.56 1oc5A1 LEU 152 HG -0.28 0.06 0.08 -0.04 1.64 1.47 1oc5A1 LEU 152 HD13 -0.11 -0.01 -0.12 -0.04 0.93 0.65 1oc5A1 LEU 152 HD23 -0.16 0.01 -0.03 -0.04 0.89 0.66 1oc5A1 SER 153 H -0.44 0.55 -0.23 -0.55 8.46 7.80 1oc5A1 SER 153 HA 0.03 0.03 0.45 -0.75 4.49 4.25 1oc5A1 SER 153 HB2 -0.08 0.10 0.21 -0.04 3.95 4.14 1oc5A1 SER 153 HB3 0.02 -0.09 0.00 -0.04 3.93 3.82 1oc5A1 GLU 154 H -0.21 0.60 -0.07 -0.55 8.60 8.37 1oc5A1 GLU 154 HA -0.12 0.01 0.50 -0.75 4.29 3.93 1oc5A1 GLU 154 HB2 -0.12 0.06 0.17 -0.04 2.09 2.16 1oc5A1 GLU 154 HB3 0.08 -0.04 0.05 -0.04 1.99 2.05 1oc5A1 GLU 154 HG2 0.05 -0.04 0.04 -0.04 2.34 2.35 1oc5A1 GLU 154 HG3 -0.01 0.16 0.10 -0.04 2.34 2.55 1oc5A1 ILE 155 H -0.64 0.55 -0.16 -0.55 8.25 7.45 1oc5A1 ILE 155 HA -1.23 -0.00 0.41 -0.75 4.18 2.59 1oc5A1 ILE 155 HB -0.47 0.11 0.13 -0.04 1.89 1.62 1oc5A1 ILE 155 HG12 -1.51 -0.06 -0.09 -0.04 1.49 -0.21 1oc5A1 ILE 155 HG13 -1.66 0.05 0.02 -0.04 1.21 -0.43 1oc5A1 ILE 155 HG23 -0.23 -0.01 -0.19 -0.04 0.93 0.47 1oc5A1 ILE 155 HD13 -0.33 -0.02 -0.22 -0.04 0.88 0.27 1oc5A1 ARG 156 H -0.22 0.58 -0.10 -0.55 8.46 8.16 1oc5A1 ARG 156 HA -0.05 0.07 0.33 -0.75 4.34 3.94 1oc5A1 ARG 156 HB2 0.13 0.04 0.11 -0.04 1.90 2.13 1oc5A1 ARG 156 HB3 0.07 0.09 0.20 -0.04 1.80 2.12 1oc5A1 ARG 156 HG2 0.01 -0.03 -0.30 -0.04 1.67 1.32 1oc5A1 ARG 156 HG3 0.02 -0.01 0.02 -0.04 1.67 1.65 1oc5A1 ARG 156 HD2 0.13 -0.01 0.01 -0.04 3.22 3.31 1oc5A1 ARG 156 HD3 0.01 -0.05 -0.02 -0.04 3.22 3.12 1oc5A1 GLU 157 H -0.10 0.54 -0.18 -0.55 8.60 8.31 1oc5A1 GLU 157 HA -0.01 -0.01 0.41 -0.75 4.29 3.92 1oc5A1 GLU 157 HB2 -0.02 -0.01 0.12 -0.04 2.09 2.15 1oc5A1 GLU 157 HB3 -0.06 0.12 0.18 -0.04 1.99 2.19 1oc5A1 GLU 157 HG2 0.02 0.02 -0.25 -0.04 2.34 2.09 1oc5A1 GLU 157 HG3 0.01 -0.04 0.02 -0.04 2.34 2.28 1oc5A1 ALA 158 H -0.17 0.56 -0.14 -0.55 8.40 8.11 1oc5A1 ALA 158 HA 0.08 0.01 0.46 -0.75 4.34 4.14 1oc5A1 ALA 158 HB3 0.08 0.01 0.10 -0.04 1.41 1.56 1oc5A1 ASN 159 H -0.03 0.66 -0.13 -0.55 8.53 8.49 1oc5A1 ASN 159 HA 0.06 -0.01 0.62 -0.75 4.76 4.68 1oc5A1 ASN 159 HB2 -0.01 0.11 0.20 -0.04 2.88 3.14 1oc5A1 ASN 159 HB3 0.01 -0.00 0.08 -0.04 2.79 2.83 1oc5A1 ASN 159 HD21 0.02 0.36 0.16 -0.04 7.03 7.53 1oc5A1 ASN 159 HD22 -0.02 0.05 0.03 -0.04 7.74 7.77 1oc5A1 GLN 160 H -0.00 0.62 -0.01 -0.55 8.47 8.53 1oc5A1 GLN 160 HA 0.00 0.05 0.54 -0.75 4.36 4.21 1oc5A1 GLN 160 HB2 0.00 0.08 0.17 -0.04 2.15 2.36 1oc5A1 GLN 160 HB3 0.00 -0.08 0.08 -0.04 2.02 1.98 1oc5A1 GLN 160 HG2 -0.01 -0.04 0.06 -0.04 2.40 2.37 1oc5A1 GLN 160 HG3 -0.01 0.12 0.08 -0.04 2.39 2.54 1oc5A1 GLN 160 HE21 -0.02 -0.05 -0.01 -0.04 6.97 6.85 1oc5A1 GLN 160 HE22 -0.02 0.02 0.01 -0.04 7.69 7.66 1oc5A1 ALA 161 H 0.03 0.31 -0.44 -0.55 8.40 7.75 1oc5A1 ALA 161 HA 0.02 0.06 0.64 -0.75 4.34 4.31 1oc5A1 ALA 161 HB3 0.05 -0.02 0.14 -0.04 1.41 1.54 1oc5A1 GLY 162 H 0.03 0.34 -0.57 -0.55 8.43 7.68 1oc5A1 GLY 162 HA2 0.01 0.04 0.20 -0.51 4.01 3.75 1oc5A1 GLY 162 HA3 0.02 0.02 0.42 -0.51 4.01 3.96 1oc5A1 ALA 163 H 0.06 0.34 0.10 -0.55 8.40 8.36 1oc5A1 ALA 163 HA 0.03 -0.04 0.31 -0.75 4.34 3.88 1oc5A1 ALA 163 HB3 0.04 -0.01 -0.03 -0.04 1.41 1.37 1oc5A1 ASN 164 H -0.07 0.14 0.10 -0.55 8.53 8.15 1oc5A1 ASN 164 HA -0.06 -0.05 0.67 -0.75 4.76 4.56 1oc5A1 ASN 164 HB2 -0.02 0.16 -0.21 -0.04 2.88 2.77 1oc5A1 ASN 164 HB3 -0.02 -0.04 0.10 -0.04 2.79 2.78 1oc5A1 ASN 164 HD21 -0.01 -0.06 -0.04 -0.04 7.03 6.87 1oc5A1 ASN 164 HD22 -0.01 -0.02 -0.01 -0.04 7.74 7.66 1oc5A1 PRO 165 HA -0.05 0.08 0.36 -0.51 4.44 4.32 1oc5A1 PRO 165 HB2 -0.06 0.23 -0.09 -0.04 2.28 2.32 1oc5A1 PRO 165 HB3 -0.04 0.01 0.03 -0.04 2.02 1.98 1oc5A1 PRO 165 HG2 -0.08 -0.00 -0.30 -0.04 2.03 1.60 1oc5A1 PRO 165 HG3 -0.04 -0.02 -0.14 -0.04 2.03 1.79 1oc5A1 PRO 165 HD2 -0.09 0.08 0.30 -0.04 3.68 3.93 1oc5A1 PRO 165 HD3 -0.05 0.04 0.11 -0.04 3.65 3.72 1oc5A1 GLN 166 H -0.05 0.13 0.15 -0.55 8.47 8.15 1oc5A1 GLN 166 HA -0.06 0.08 0.32 -0.75 4.36 3.96 1oc5A1 GLN 166 HB2 -0.00 0.07 0.13 -0.04 2.15 2.30 1oc5A1 GLN 166 HB3 -0.02 0.01 0.17 -0.04 2.02 2.14 1oc5A1 GLN 166 HG2 -0.02 -0.03 0.14 -0.04 2.40 2.45 1oc5A1 GLN 166 HG3 -0.02 -0.02 -0.12 -0.04 2.39 2.19 1oc5A1 GLN 166 HE21 0.01 0.07 -0.01 -0.04 6.97 6.99 1oc5A1 GLN 166 HE22 -0.01 0.01 -0.02 -0.04 7.69 7.63 1oc5A1 TYR 167 H 0.11 0.07 0.16 -0.55 8.29 8.08 1oc5A1 TYR 167 HA 0.06 0.21 0.61 -0.75 4.56 4.68 1oc5A1 TYR 167 HB2 -0.03 -0.03 0.09 -0.04 3.06 3.05 1oc5A1 TYR 167 HB3 0.11 -0.01 -0.09 -0.04 2.98 2.95 1oc5A1 TYR 167 HD2 0.18 -0.01 -0.36 -0.04 7.15 6.91 1oc5A1 TYR 167 HE2 0.16 0.04 -0.10 -0.04 6.85 6.92 1oc5A1 ALA 168 H 0.16 0.53 0.37 -0.55 8.40 8.92 1oc5A1 ALA 168 HA -0.03 0.24 0.91 -0.75 4.34 4.71 1oc5A1 ALA 168 HB3 -0.10 0.01 -0.06 -0.04 1.41 1.22 1oc5A1 ALA 169 H -0.08 0.74 0.30 -0.55 8.40 8.81 1oc5A1 ALA 169 HA -0.02 0.07 0.77 -0.75 4.34 4.40 1oc5A1 ALA 169 HB3 -0.10 -0.01 0.01 -0.04 1.41 1.28 1oc5A1 GLN 170 H -0.13 0.20 0.15 -0.55 8.47 8.14 1oc5A1 GLN 170 HA -0.46 0.33 0.93 -0.75 4.36 4.40 1oc5A1 GLN 170 HB2 -0.49 0.06 0.04 -0.04 2.15 1.72 1oc5A1 GLN 170 HB3 -2.34 -0.11 -0.06 -0.04 2.02 -0.53 1oc5A1 GLN 170 HG2 -0.53 -0.00 -0.14 -0.04 2.40 1.69 1oc5A1 GLN 170 HG3 -0.28 0.06 -0.43 -0.04 2.39 1.70 1oc5A1 GLN 170 HE21 0.00 0.30 -0.20 -0.04 6.97 7.03 1oc5A1 GLN 170 HE22 -0.08 0.05 -0.20 -0.04 7.69 7.41 1oc5A1 ILE 171 H -0.04 0.81 0.36 -0.55 8.25 8.83 1oc5A1 ILE 171 HA 0.07 0.27 1.08 -0.75 4.18 4.84 1oc5A1 ILE 171 HB 0.01 0.06 -0.01 -0.04 1.89 1.90 1oc5A1 ILE 171 HG12 -0.05 -0.05 -0.40 -0.04 1.49 0.94 1oc5A1 ILE 171 HG13 -0.03 0.04 -0.13 -0.04 1.21 1.05 1oc5A1 ILE 171 HG23 0.02 -0.03 -0.17 -0.04 0.93 0.72 1oc5A1 ILE 171 HD13 0.01 0.02 -0.05 -0.04 0.88 0.82 1oc5A1 VAL 172 H -0.01 0.59 0.37 -0.55 8.24 8.64 1oc5A1 VAL 172 HA -0.15 0.23 1.10 -0.75 4.13 4.56 1oc5A1 VAL 172 HB -0.71 -0.16 0.05 -0.04 2.12 1.26 1oc5A1 VAL 172 HG13 -0.90 0.00 -0.22 -0.04 0.97 -0.19 1oc5A1 VAL 172 HG23 -1.18 0.02 -0.21 -0.04 0.95 -0.47 1oc5A1 VAL 173 H -0.01 0.70 0.33 -0.55 8.24 8.71 1oc5A1 VAL 173 HA 0.19 0.11 0.77 -0.75 4.13 4.45 1oc5A1 VAL 173 HB 0.12 -0.07 0.25 -0.04 2.12 2.39 1oc5A1 VAL 173 HG13 0.29 -0.01 -0.06 -0.04 0.97 1.15 1oc5A1 VAL 173 HG23 0.03 0.05 -0.10 -0.04 0.95 0.89 1oc5A1 TYR 174 H 0.35 0.44 -0.02 -0.55 8.29 8.51 1oc5A1 TYR 174 HA 0.10 0.03 0.75 -0.75 4.56 4.69 1oc5A1 TYR 174 HB2 0.04 0.02 -0.39 -0.04 3.06 2.69 1oc5A1 TYR 174 HB3 0.25 -0.02 -0.13 -0.04 2.98 3.04 1oc5A1 TYR 174 HD2 0.26 -0.03 0.00 -0.04 7.15 7.34 1oc5A1 TYR 174 HE2 0.08 0.09 -0.06 -0.04 6.85 6.92 1oc5A1 ASP 175 H 0.24 0.10 -0.01 -0.55 8.40 8.18 1oc5A1 ASP 175 HA -0.29 0.18 0.56 -0.75 4.63 4.33 1oc5A1 ASP 175 HB2 -0.35 0.11 -0.34 -0.04 2.71 2.08 1oc5A1 ASP 175 HB3 -0.76 -0.00 0.01 -0.04 2.70 1.91 1oc5A1 LEU 176 H -0.05 0.03 0.02 -0.55 8.37 7.83 1oc5A1 LEU 176 HA -0.55 0.09 0.39 -0.75 4.35 3.53 1oc5A1 LEU 176 HB2 -0.28 -0.09 0.01 -0.04 1.64 1.25 1oc5A1 LEU 176 HB3 -0.26 0.20 -0.09 -0.04 1.64 1.44 1oc5A1 LEU 176 HG -0.29 -0.09 0.01 -0.04 1.64 1.23 1oc5A1 LEU 176 HD13 -0.54 0.01 -0.01 -0.04 0.93 0.35 1oc5A1 LEU 176 HD23 -0.67 0.02 -0.05 -0.04 0.89 0.15 1oc5A1 PRO 177 HA 0.19 0.18 0.38 -0.51 4.44 4.68 1oc5A1 PRO 177 HB2 0.09 -0.13 -0.36 -0.04 2.28 1.84 1oc5A1 PRO 177 HB3 0.16 0.02 -0.24 -0.04 2.02 1.92 1oc5A1 PRO 177 HG2 0.04 0.04 -0.12 -0.04 2.03 1.94 1oc5A1 PRO 177 HG3 0.02 0.03 -0.31 -0.04 2.03 1.74 1oc5A1 PRO 177 HD2 -0.29 0.07 0.13 -0.04 3.68 3.55 1oc5A1 PRO 177 HD3 -0.02 0.20 0.12 -0.04 3.65 3.91 1oc5A1 ASP 178 H 0.11 0.39 0.26 -0.55 8.40 8.60 1oc5A1 ASP 178 HA 0.08 0.08 0.32 -0.75 4.63 4.35 1oc5A1 ASP 178 HB2 0.10 0.09 0.02 -0.04 2.71 2.88 1oc5A1 ASP 178 HB3 0.06 0.07 0.21 -0.04 2.70 2.99 1oc5A1 ARG 179 H 0.04 0.11 -0.18 -0.55 8.46 7.87 1oc5A1 ARG 179 HA 0.04 -0.00 0.16 -0.75 4.34 3.78 1oc5A1 ARG 179 HB2 -0.10 0.26 0.06 -0.04 1.90 2.08 1oc5A1 ARG 179 HB3 -0.10 -0.13 -0.03 -0.04 1.80 1.51 1oc5A1 ARG 179 HG2 -0.11 -0.00 -0.01 -0.04 1.67 1.50 1oc5A1 ARG 179 HG3 -0.17 -0.08 -0.03 -0.04 1.67 1.35 1oc5A1 ARG 179 HD2 -0.99 -0.04 -0.23 -0.04 3.22 1.91 1oc5A1 ARG 179 HD3 -0.42 0.00 -0.10 -0.04 3.22 2.65 1oc5A1 ASP 180 H 0.10 0.18 0.16 -0.55 8.40 8.29 1oc5A1 ASP 180 HA 0.13 0.12 0.43 -0.75 4.63 4.56 1oc5A1 ASP 180 HB2 0.03 0.14 0.04 -0.04 2.71 2.88 1oc5A1 ASP 180 HB3 0.01 -0.04 0.16 -0.04 2.70 2.78 1oc5A1 CYS 181 H 0.28 0.11 0.02 -0.55 8.50 8.37 1oc5A1 CYS 181 HA 0.08 0.16 -0.02 -0.75 4.58 4.05 1oc5A1 CYS 181 HB2 -0.01 -0.10 -0.35 -0.04 2.97 2.47 1oc5A1 CYS 181 HB3 0.04 0.18 -0.02 -0.04 2.97 3.13 1oc5A1 ALA 182 H 0.10 0.00 -0.29 -0.55 8.40 7.67 1oc5A1 ALA 182 HA 0.06 0.17 0.75 -0.75 4.34 4.56 1oc5A1 ALA 182 HB3 0.06 -0.01 0.04 -0.04 1.41 1.45 1oc5A1 ALA 183 H 0.05 0.48 -0.24 -0.55 8.40 8.14 1oc5A1 ALA 183 HA 0.05 -0.01 0.44 -0.75 4.34 4.06 1oc5A1 ALA 183 HB3 0.01 0.00 0.05 -0.04 1.41 1.43 1oc5A1 ALA 184 H 0.18 0.04 0.19 -0.55 8.40 8.26 1oc5A1 ALA 184 HA 0.15 0.13 0.44 -0.75 4.34 4.31 1oc5A1 ALA 184 HB3 0.23 -0.03 0.16 -0.04 1.41 1.73 1oc5A1 ALA 185 H 0.10 0.13 -0.09 -0.55 8.40 7.99 1oc5A1 ALA 185 HA 0.06 0.15 0.50 -0.75 4.34 4.29 1oc5A1 ALA 185 HB3 0.06 0.03 -0.24 -0.04 1.41 1.21 1oc5A1 SER 186 H 0.04 0.27 0.10 -0.55 8.46 8.32 1oc5A1 SER 186 HA 0.02 0.13 0.83 -0.75 4.49 4.71 1oc5A1 SER 186 HB2 0.03 0.20 -0.04 -0.04 3.95 4.09 1oc5A1 SER 186 HB3 0.02 0.03 0.01 -0.04 3.93 3.94 1oc5A1 ASN 187 H -0.01 0.15 0.08 -0.55 8.53 8.20 1oc5A1 ASN 187 HA -0.01 0.19 0.69 -0.75 4.76 4.88 1oc5A1 ASN 187 HB2 -0.02 0.01 0.03 -0.04 2.88 2.85 1oc5A1 ASN 187 HB3 -0.02 0.02 0.10 -0.04 2.79 2.85 1oc5A1 ASN 187 HD21 0.03 -0.02 -0.06 -0.04 7.03 6.94 1oc5A1 ASN 187 HD22 0.01 0.05 -0.02 -0.04 7.74 7.74 1oc5A1 GLY 188 H -0.07 0.01 -0.20 -0.55 8.43 7.63 1oc5A1 GLY 188 HA2 -0.22 0.08 0.40 -0.51 4.01 3.76 1oc5A1 GLY 188 HA3 -0.14 -0.01 0.28 -0.51 4.01 3.64 1oc5A1 GLU 189 H -0.35 0.12 0.23 -0.55 8.60 8.06 1oc5A1 GLU 189 HA -0.10 0.22 0.57 -0.75 4.29 4.23 1oc5A1 GLU 189 HB2 -0.21 -0.00 0.14 -0.04 2.09 1.97 1oc5A1 GLU 189 HB3 -0.26 0.06 0.17 -0.04 1.99 1.91 1oc5A1 GLU 189 HG2 -0.96 -0.01 0.16 -0.04 2.34 1.49 1oc5A1 GLU 189 HG3 -1.71 0.01 -0.12 -0.04 2.34 0.49 1oc5A1 TRP 190 H -0.06 0.09 -0.15 -0.55 7.97 7.31 1oc5A1 TRP 190 HA -0.00 0.27 0.86 -0.75 4.62 4.99 1oc5A1 TRP 190 HB2 -0.02 0.06 -0.03 -0.04 3.23 3.19 1oc5A1 TRP 190 HB3 0.00 -0.05 -0.05 -0.04 3.23 3.09 1oc5A1 TRP 190 HD1 -0.00 0.17 -0.16 -0.04 7.22 7.19 1oc5A1 TRP 190 HE1 0.01 0.02 -0.04 -0.04 10.20 10.15 1oc5A1 TRP 190 HE3 0.01 0.13 -0.07 -0.04 7.59 7.62 1oc5A1 TRP 190 HZ2 0.02 -0.01 -0.00 -0.04 7.44 7.41 1oc5A1 TRP 190 HZ3 -0.36 0.01 -0.11 -0.04 7.13 6.63 1oc5A1 TRP 190 HH2 0.01 -0.00 -0.00 -0.04 7.19 7.15 1oc5A1 ALA 191 H 0.20 0.32 0.16 -0.55 8.40 8.53 1oc5A1 ALA 191 HA 0.10 0.07 0.94 -0.75 4.34 4.69 1oc5A1 ALA 191 HB3 0.07 0.05 0.01 -0.04 1.41 1.50 1oc5A1 ILE 192 H 0.06 0.27 0.07 -0.55 8.25 8.09 1oc5A1 ILE 192 HA 0.02 -0.08 0.43 -0.75 4.18 3.80 1oc5A1 ILE 192 HB 0.01 0.06 0.08 -0.04 1.89 2.00 1oc5A1 ILE 192 HG12 0.03 -0.03 -0.07 -0.04 1.49 1.38 1oc5A1 ILE 192 HG13 0.05 -0.11 -0.19 -0.04 1.21 0.93 1oc5A1 ILE 192 HG23 -0.00 0.03 -0.06 -0.04 0.93 0.85 1oc5A1 ILE 192 HD13 0.01 0.06 -0.03 -0.04 0.88 0.87 1oc5A1 ALA 193 H 0.02 0.10 -0.19 -0.55 8.40 7.79 1oc5A1 ALA 193 HA 0.00 0.12 0.37 -0.75 4.34 4.08 1oc5A1 ALA 193 HB3 0.01 0.03 0.05 -0.04 1.41 1.46 1oc5A1 ASN 194 H 0.02 0.30 -0.64 -0.55 8.53 7.66 1oc5A1 ASN 194 HA -0.00 0.27 0.99 -0.75 4.76 5.27 1oc5A1 ASN 194 HB2 0.05 -0.10 0.18 -0.04 2.88 2.96 1oc5A1 ASN 194 HB3 0.03 0.05 0.19 -0.04 2.79 3.01 1oc5A1 ASN 194 HD21 0.02 0.01 -0.09 -0.04 7.03 6.93 1oc5A1 ASN 194 HD22 0.01 0.10 -0.01 -0.04 7.74 7.80 1oc5A1 ASN 195 H -0.03 0.27 -0.17 -0.55 8.53 8.06 1oc5A1 ASN 195 HA -0.07 0.01 0.31 -0.75 4.76 4.26 1oc5A1 ASN 195 HB2 -0.06 0.03 -0.24 -0.04 2.88 2.56 1oc5A1 ASN 195 HB3 -0.13 0.14 0.15 -0.04 2.79 2.90 1oc5A1 ASN 195 HD21 -0.09 0.03 0.01 -0.04 7.03 6.94 1oc5A1 ASN 195 HD22 -0.11 0.06 0.01 -0.04 7.74 7.66 1oc5A1 GLY 196 H -0.04 0.30 -0.11 -0.55 8.43 8.03 1oc5A1 GLY 196 HA2 -0.21 0.07 0.09 -0.51 4.01 3.45 1oc5A1 GLY 196 HA3 0.02 -0.04 -0.11 -0.51 4.01 3.37 1oc5A1 VAL 197 H -0.04 0.13 -0.10 -0.55 8.24 7.68 1oc5A1 VAL 197 HA 0.00 0.09 0.48 -0.75 4.13 3.94 1oc5A1 VAL 197 HB -0.04 -0.01 0.08 -0.04 2.12 2.11 1oc5A1 VAL 197 HG13 -0.05 0.03 -0.11 -0.04 0.97 0.80 1oc5A1 VAL 197 HG23 -0.01 0.01 0.04 -0.04 0.95 0.94 1oc5A1 ASN 198 H -0.10 0.11 -0.15 -0.55 8.53 7.85 1oc5A1 ASN 198 HA -0.10 0.07 0.47 -0.75 4.76 4.45 1oc5A1 ASN 198 HB2 -0.12 0.07 0.11 -0.04 2.88 2.90 1oc5A1 ASN 198 HB3 -0.10 0.04 0.00 -0.04 2.79 2.69 1oc5A1 ASN 198 HD21 -0.05 0.03 0.01 -0.04 7.03 6.98 1oc5A1 ASN 198 HD22 -0.06 0.02 0.03 -0.04 7.74 7.68 1oc5A1 ASN 199 H -0.31 0.51 -0.17 -0.55 8.53 8.02 1oc5A1 ASN 199 HA -0.49 0.03 0.40 -0.75 4.76 3.94 1oc5A1 ASN 199 HB2 -1.13 0.09 0.11 -0.04 2.88 1.90 1oc5A1 ASN 199 HB3 -2.85 -0.07 -0.00 -0.04 2.79 -0.17 1oc5A1 ASN 199 HD21 -0.43 0.06 -0.00 -0.04 7.03 6.62 1oc5A1 ASN 199 HD22 -1.41 -0.11 -0.06 -0.04 7.74 6.12 1oc5A1 TYR 200 H -0.10 0.48 -0.20 -0.55 8.29 7.92 1oc5A1 TYR 200 HA 0.20 0.00 0.32 -0.75 4.56 4.32 1oc5A1 TYR 200 HB2 0.11 0.05 0.12 -0.04 3.06 3.30 1oc5A1 TYR 200 HB3 0.02 0.08 0.15 -0.04 2.98 3.19 1oc5A1 TYR 200 HD2 0.14 0.15 -0.19 -0.04 7.15 7.21 1oc5A1 TYR 200 HE2 0.15 -0.06 -0.20 -0.04 6.85 6.70 1oc5A1 LYS 201 H 0.01 0.57 -0.02 -0.55 8.42 8.43 1oc5A1 LYS 201 HA 0.01 0.03 0.48 -0.75 4.32 4.09 1oc5A1 LYS 201 HB2 -0.12 0.06 0.16 -0.04 1.87 1.93 1oc5A1 LYS 201 HB3 -0.20 0.00 0.02 -0.04 1.79 1.57 1oc5A1 LYS 201 HG2 -0.87 0.00 0.03 -0.04 1.46 0.58 1oc5A1 LYS 201 HG3 -0.17 0.00 0.07 -0.04 1.46 1.32 1oc5A1 LYS 201 HD2 -0.27 0.00 -0.05 -0.04 1.69 1.32 1oc5A1 LYS 201 HD3 -0.20 -0.03 -0.05 -0.04 1.68 1.36 1oc5A1 LYS 201 HE2 -0.38 0.01 -0.01 -0.04 2.99 2.56 1oc5A1 LYS 201 HE3 -1.08 0.02 -0.01 -0.04 2.99 1.88 1oc5A1 ALA 202 H -0.05 0.53 -0.25 -0.55 8.40 8.09 1oc5A1 ALA 202 HA 0.03 0.04 0.47 -0.75 4.34 4.13 1oc5A1 ALA 202 HB3 -0.02 0.02 0.07 -0.04 1.41 1.44 1oc5A1 TYR 203 H 0.16 0.53 0.01 -0.55 8.29 8.43 1oc5A1 TYR 203 HA 0.09 -0.04 0.51 -0.75 4.56 4.37 1oc5A1 TYR 203 HB2 0.31 0.06 0.17 -0.04 3.06 3.55 1oc5A1 TYR 203 HB3 -0.15 0.42 0.26 -0.04 2.98 3.47 1oc5A1 TYR 203 HD2 -0.31 0.03 -0.01 -0.04 7.15 6.82 1oc5A1 TYR 203 HE2 0.03 -0.06 -0.11 -0.04 6.85 6.66 1oc5A1 ILE 204 H -0.01 0.68 -0.07 -0.55 8.25 8.31 1oc5A1 ILE 204 HA -0.23 -0.02 0.41 -0.75 4.18 3.59 1oc5A1 ILE 204 HB 0.21 0.12 0.14 -0.04 1.89 2.32 1oc5A1 ILE 204 HG12 -0.45 0.12 0.04 -0.04 1.49 1.16 1oc5A1 ILE 204 HG13 0.18 -0.01 -0.03 -0.04 1.21 1.32 1oc5A1 ILE 204 HG23 0.01 0.01 -0.18 -0.04 0.93 0.73 1oc5A1 ILE 204 HD13 -0.06 -0.03 -0.03 -0.04 0.88 0.72 1oc5A1 ASN 205 H 0.08 0.61 -0.12 -0.55 8.53 8.55 1oc5A1 ASN 205 HA 0.02 0.05 0.43 -0.75 4.76 4.51 1oc5A1 ASN 205 HB2 0.05 0.08 0.21 -0.04 2.88 3.18 1oc5A1 ASN 205 HB3 0.04 -0.05 0.03 -0.04 2.79 2.76 1oc5A1 ASN 205 HD21 0.14 -0.05 -0.06 -0.04 7.03 7.02 1oc5A1 ASN 205 HD22 0.07 -0.05 -0.04 -0.04 7.74 7.67 1oc5A1 ARG 206 H 0.00 0.62 -0.12 -0.55 8.46 8.41 1oc5A1 ARG 206 HA 0.01 0.03 0.52 -0.75 4.34 4.14 1oc5A1 ARG 206 HB2 0.04 0.03 0.10 -0.04 1.90 2.03 1oc5A1 ARG 206 HB3 0.00 0.03 0.15 -0.04 1.80 1.95 1oc5A1 ARG 206 HG2 0.05 -0.07 -0.04 -0.04 1.67 1.57 1oc5A1 ARG 206 HG3 0.02 -0.02 -0.18 -0.04 1.67 1.45 1oc5A1 ARG 206 HD2 0.02 0.01 0.08 -0.04 3.22 3.29 1oc5A1 ARG 206 HD3 0.03 -0.01 -0.00 -0.04 3.22 3.21 1oc5A1 ILE 207 H -0.13 0.60 -0.07 -0.55 8.25 8.11 1oc5A1 ILE 207 HA -0.06 -0.04 0.47 -0.75 4.18 3.80 1oc5A1 ILE 207 HB -0.19 0.13 0.15 -0.04 1.89 1.94 1oc5A1 ILE 207 HG12 -0.19 -0.07 0.02 -0.04 1.49 1.21 1oc5A1 ILE 207 HG13 -0.32 0.07 0.09 -0.04 1.21 1.00 1oc5A1 ILE 207 HG23 -0.09 -0.01 -0.12 -0.04 0.93 0.67 1oc5A1 ILE 207 HD13 -0.71 -0.04 -0.09 -0.04 0.88 -0.00 1oc5A1 ARG 208 H -0.05 0.61 -0.21 -0.55 8.46 8.25 1oc5A1 ARG 208 HA -0.02 0.03 0.28 -0.75 4.34 3.88 1oc5A1 ARG 208 HB2 -0.05 0.03 0.03 -0.04 1.90 1.88 1oc5A1 ARG 208 HB3 -0.02 0.07 0.15 -0.04 1.80 1.96 1oc5A1 ARG 208 HG2 -0.01 -0.09 -0.25 -0.04 1.67 1.29 1oc5A1 ARG 208 HG3 -0.02 0.09 0.04 -0.04 1.67 1.73 1oc5A1 ARG 208 HD2 -0.06 0.16 0.09 -0.04 3.22 3.36 1oc5A1 ARG 208 HD3 -0.03 -0.10 0.01 -0.04 3.22 3.06 1oc5A1 GLU 209 H -0.00 0.47 -0.16 -0.55 8.60 8.36 1oc5A1 GLU 209 HA 0.01 0.01 0.43 -0.75 4.29 3.98 1oc5A1 GLU 209 HB2 0.01 0.10 0.15 -0.04 2.09 2.32 1oc5A1 GLU 209 HB3 0.01 -0.07 -0.01 -0.04 1.99 1.88 1oc5A1 GLU 209 HG2 0.00 -0.04 0.05 -0.04 2.34 2.31 1oc5A1 GLU 209 HG3 0.01 0.32 0.14 -0.04 2.34 2.76 1oc5A1 ILE 210 H 0.03 0.54 -0.17 -0.55 8.25 8.11 1oc5A1 ILE 210 HA 0.11 -0.00 0.56 -0.75 4.18 4.10 1oc5A1 ILE 210 HB 0.05 0.08 0.14 -0.04 1.89 2.11 1oc5A1 ILE 210 HG12 0.10 -0.05 -0.00 -0.04 1.49 1.50 1oc5A1 ILE 210 HG13 0.05 0.02 0.01 -0.04 1.21 1.25 1oc5A1 ILE 210 HG23 0.14 -0.02 -0.17 -0.04 0.93 0.84 1oc5A1 ILE 210 HD13 0.03 -0.02 -0.13 -0.04 0.88 0.72 1oc5A1 LEU 211 H 0.07 0.69 -0.06 -0.55 8.37 8.52 1oc5A1 LEU 211 HA 0.21 0.03 0.36 -0.75 4.35 4.20 1oc5A1 LEU 211 HB2 0.07 0.08 0.06 -0.04 1.64 1.82 1oc5A1 LEU 211 HB3 0.16 0.03 -0.08 -0.04 1.64 1.72 1oc5A1 LEU 211 HG 0.02 0.18 -0.01 -0.04 1.64 1.79 1oc5A1 LEU 211 HD13 -0.05 -0.02 -0.11 -0.04 0.93 0.71 1oc5A1 LEU 211 HD23 0.04 -0.02 -0.09 -0.04 0.89 0.77 1oc5A1 ILE 212 H 0.08 0.59 -0.16 -0.55 8.25 8.21 1oc5A1 ILE 212 HA 0.05 0.02 0.45 -0.75 4.18 3.95 1oc5A1 ILE 212 HB 0.01 0.10 0.18 -0.04 1.89 2.15 1oc5A1 ILE 212 HG12 0.04 -0.04 0.03 -0.04 1.49 1.49 1oc5A1 ILE 212 HG13 0.06 0.10 0.04 -0.04 1.21 1.36 1oc5A1 ILE 212 HG23 -0.03 -0.03 -0.10 -0.04 0.93 0.73 1oc5A1 ILE 212 HD13 0.00 -0.03 -0.04 -0.04 0.88 0.77 1oc5A1 SER 213 H -0.00 0.44 -0.24 -0.55 8.46 8.12 1oc5A1 SER 213 HA -0.17 -0.03 0.32 -0.75 4.49 3.85 1oc5A1 SER 213 HB2 -0.09 0.00 0.15 -0.04 3.95 3.96 1oc5A1 SER 213 HB3 -0.08 0.00 0.20 -0.04 3.93 4.01 1oc5A1 PHE 214 H 0.10 0.50 -0.29 -0.55 8.34 8.09 1oc5A1 PHE 214 HA -0.09 0.07 0.85 -0.75 4.62 4.70 1oc5A1 PHE 214 HB2 -0.03 0.09 0.11 -0.04 3.15 3.28 1oc5A1 PHE 214 HB3 -0.07 -0.05 0.21 -0.04 3.06 3.11 1oc5A1 PHE 214 HD2 -0.05 0.12 -0.02 -0.04 7.28 7.28 1oc5A1 PHE 214 HE2 -0.05 -0.05 -0.06 -0.04 7.38 7.19 1oc5A1 PHE 214 HZ -0.04 -0.05 -0.04 -0.04 7.32 7.16 1oc5A1 SER 215 H -0.20 0.41 -0.35 -0.55 8.46 7.77 1oc5A1 SER 215 HA -1.58 0.09 0.36 -0.75 4.49 2.60 1oc5A1 SER 215 HB2 -0.31 0.00 0.06 -0.04 3.95 3.66 1oc5A1 SER 215 HB3 -0.27 0.02 0.16 -0.04 3.93 3.80 1oc5A1 ASP 216 H -0.12 0.00 -0.40 -0.55 8.40 7.34 1oc5A1 ASP 216 HA -0.06 0.22 0.58 -0.75 4.63 4.60 1oc5A1 ASP 216 HB2 -0.03 -0.02 0.10 -0.04 2.71 2.72 1oc5A1 ASP 216 HB3 -0.06 -0.04 0.07 -0.04 2.70 2.64 1oc5A1 VAL 217 H -0.02 0.56 -0.32 -0.55 8.24 7.91 1oc5A1 VAL 217 HA -0.01 0.14 0.92 -0.75 4.13 4.43 1oc5A1 VAL 217 HB 0.03 0.09 0.19 -0.04 2.12 2.39 1oc5A1 VAL 217 HG13 -0.10 0.01 -0.11 -0.04 0.97 0.73 1oc5A1 VAL 217 HG23 -0.02 -0.02 -0.07 -0.04 0.95 0.80 1oc5A1 ARG 218 H 0.00 0.15 0.09 -0.55 8.46 8.15 1oc5A1 ARG 218 HA 0.09 0.31 0.52 -0.75 4.34 4.51 1oc5A1 ARG 218 HB2 -0.03 0.06 0.08 -0.04 1.90 1.97 1oc5A1 ARG 218 HB3 -0.09 -0.12 0.08 -0.04 1.80 1.63 1oc5A1 ARG 218 HG2 -0.26 -0.12 -0.19 -0.04 1.67 1.07 1oc5A1 ARG 218 HG3 -0.19 0.17 0.01 -0.04 1.67 1.62 1oc5A1 ARG 218 HD2 -0.26 0.02 -0.07 -0.04 3.22 2.86 1oc5A1 ARG 218 HD3 -0.65 -0.09 -0.06 -0.04 3.22 2.38 1oc5A1 THR 219 H -0.06 0.66 0.36 -0.55 8.28 8.68 1oc5A1 THR 219 HA -0.09 0.05 0.94 -0.75 4.39 4.53 1oc5A1 THR 219 HB -0.10 0.01 0.11 -0.04 4.32 4.30 1oc5A1 THR 219 HG23 -0.05 -0.06 -0.19 -0.04 1.22 0.88 1oc5A1 ILE 220 H -0.15 0.72 0.29 -0.55 8.25 8.56 1oc5A1 ILE 220 HA -0.05 0.19 0.93 -0.75 4.18 4.50 1oc5A1 ILE 220 HB -0.26 0.02 0.15 -0.04 1.89 1.76 1oc5A1 ILE 220 HG12 -0.37 -0.02 -0.16 -0.04 1.49 0.90 1oc5A1 ILE 220 HG13 -0.33 0.01 -0.33 -0.04 1.21 0.53 1oc5A1 ILE 220 HG23 0.16 -0.04 -0.22 -0.04 0.93 0.79 1oc5A1 ILE 220 HD13 -1.12 0.04 -0.29 -0.04 0.88 -0.54 1oc5A1 LEU 221 H 0.10 0.84 0.38 -0.55 8.37 9.14 1oc5A1 LEU 221 HA 0.17 0.34 1.18 -0.75 4.35 5.28 1oc5A1 LEU 221 HB2 0.05 -0.04 0.07 -0.04 1.64 1.69 1oc5A1 LEU 221 HB3 0.05 -0.09 -0.06 -0.04 1.64 1.49 1oc5A1 LEU 221 HG -0.01 0.16 -0.17 -0.04 1.64 1.57 1oc5A1 LEU 221 HD13 -0.02 -0.01 -0.12 -0.04 0.93 0.74 1oc5A1 LEU 221 HD23 0.00 -0.01 -0.23 -0.04 0.89 0.62 1oc5A1 VAL 222 H 0.12 0.56 0.38 -0.55 8.24 8.76 1oc5A1 VAL 222 HA 0.04 0.30 0.91 -0.75 4.13 4.63 1oc5A1 VAL 222 HB -0.38 -0.04 0.10 -0.04 2.12 1.76 1oc5A1 VAL 222 HG13 -0.27 -0.03 -0.26 -0.04 0.97 0.37 1oc5A1 VAL 222 HG23 -0.44 0.01 -0.14 -0.04 0.95 0.34 1oc5A1 ILE 223 H 0.02 0.66 0.24 -0.55 8.25 8.63 1oc5A1 ILE 223 HA 0.05 0.09 0.83 -0.75 4.18 4.40 1oc5A1 ILE 223 HB 0.07 -0.05 0.15 -0.04 1.89 2.02 1oc5A1 ILE 223 HG12 0.05 0.01 -0.23 -0.04 1.49 1.29 1oc5A1 ILE 223 HG13 0.06 0.08 -0.15 -0.04 1.21 1.15 1oc5A1 ILE 223 HG23 0.11 -0.00 -0.08 -0.04 0.93 0.92 1oc5A1 ILE 223 HD13 0.06 0.02 -0.21 -0.04 0.88 0.71 1oc5A1 GLU 224 H 0.07 0.65 0.37 -0.55 8.60 9.14 1oc5A1 GLU 224 HA 0.16 0.12 0.53 -0.75 4.29 4.34 1oc5A1 GLU 224 HB2 0.05 0.02 -0.14 -0.04 2.09 1.98 1oc5A1 GLU 224 HB3 0.02 -0.04 0.06 -0.04 1.99 1.99 1oc5A1 GLU 224 HG2 0.19 0.04 0.01 -0.04 2.34 2.55 1oc5A1 GLU 224 HG3 0.11 0.03 -0.05 -0.04 2.34 2.39 1oc5A1 PRO 225 HA -0.03 -0.07 0.51 -0.51 4.44 4.34 1oc5A1 PRO 225 HB2 -0.35 0.06 -0.06 -0.04 2.28 1.89 1oc5A1 PRO 225 HB3 -0.10 0.01 0.02 -0.04 2.02 1.91 1oc5A1 PRO 225 HG2 -0.77 0.06 -0.07 -0.04 2.03 1.22 1oc5A1 PRO 225 HG3 -0.37 0.02 -0.07 -0.04 2.03 1.58 1oc5A1 PRO 225 HD2 -0.28 0.09 0.12 -0.04 3.68 3.57 1oc5A1 PRO 225 HD3 -0.22 0.17 -0.03 -0.04 3.65 3.53 1oc5A1 ASP 226 H 0.10 0.05 0.17 -0.55 8.40 8.17 1oc5A1 ASP 226 HA 0.31 -0.04 0.33 -0.75 4.63 4.47 1oc5A1 ASP 226 HB2 0.08 0.01 -0.14 -0.04 2.71 2.63 1oc5A1 ASP 226 HB3 0.18 0.17 -0.13 -0.04 2.70 2.89 1oc5A1 SER 227 H 0.08 0.05 -0.15 -0.55 8.46 7.89 1oc5A1 SER 227 HA -0.05 0.16 0.92 -0.75 4.49 4.77 1oc5A1 SER 227 HB2 -0.48 0.01 0.09 -0.04 3.95 3.53 1oc5A1 SER 227 HB3 -0.18 0.07 -0.07 -0.04 3.93 3.71 1oc5A1 LEU 228 H 0.06 0.30 0.14 -0.55 8.37 8.33 1oc5A1 LEU 228 HA 0.11 0.07 0.26 -0.75 4.35 4.04 1oc5A1 LEU 228 HB2 0.08 0.08 0.12 -0.04 1.64 1.88 1oc5A1 LEU 228 HB3 -0.28 0.07 0.05 -0.04 1.64 1.44 1oc5A1 LEU 228 HG 0.05 -0.07 0.05 -0.04 1.64 1.63 1oc5A1 LEU 228 HD13 0.02 0.04 -0.00 -0.04 0.93 0.95 1oc5A1 LEU 228 HD23 0.05 0.02 -0.14 -0.04 0.89 0.78 1oc5A1 ALA 229 H -0.01 0.00 -0.33 -0.55 8.40 7.51 1oc5A1 ALA 229 HA -0.26 0.16 0.34 -0.75 4.34 3.82 1oc5A1 ALA 229 HB3 -1.22 -0.01 -0.02 -0.04 1.41 0.13 1oc5A1 ASN 230 H 0.15 0.46 -0.33 -0.55 8.53 8.26 1oc5A1 ASN 230 HA 0.45 0.02 0.43 -0.75 4.76 4.90 1oc5A1 ASN 230 HB2 0.28 0.20 0.01 -0.04 2.88 3.33 1oc5A1 ASN 230 HB3 0.20 -0.02 -0.03 -0.04 2.79 2.89 1oc5A1 ASN 230 HD21 0.34 0.03 -0.08 -0.04 7.03 7.27 1oc5A1 ASN 230 HD22 0.36 0.26 -0.10 -0.04 7.74 8.22 1oc5A1 MET 231 H 0.05 0.36 -0.29 -0.55 8.47 8.05 1oc5A1 MET 231 HA 0.02 0.05 0.41 -0.75 4.52 4.24 1oc5A1 MET 231 HB2 -0.04 0.14 0.11 -0.04 2.15 2.32 1oc5A1 MET 231 HB3 -0.03 0.04 0.01 -0.04 2.03 2.02 1oc5A1 MET 231 HG2 -0.01 0.04 0.00 -0.04 2.63 2.62 1oc5A1 MET 231 HG3 -0.03 0.01 -0.01 -0.04 2.56 2.49 1oc5A1 MET 231 HE3 -0.13 -0.02 -0.27 -0.04 2.10 1.63 1oc5A1 VAL 232 H -0.02 0.25 -0.40 -0.55 8.24 7.53 1oc5A1 VAL 232 HA -0.00 0.14 0.46 -0.75 4.13 3.97 1oc5A1 VAL 232 HB -0.08 0.04 0.11 -0.04 2.12 2.15 1oc5A1 VAL 232 HG13 0.01 0.00 -0.11 -0.04 0.97 0.84 1oc5A1 VAL 232 HG23 -0.06 0.01 -0.02 -0.04 0.95 0.84 1oc5A1 THR 233 H 0.17 0.13 -0.06 -0.55 8.28 7.96 1oc5A1 THR 233 HA 0.10 0.32 1.01 -0.75 4.39 5.06 1oc5A1 THR 233 HB 0.17 0.01 0.06 -0.04 4.32 4.52 1oc5A1 THR 233 HG23 0.22 0.02 -0.17 -0.04 1.22 1.25 1oc5A1 ASN 234 H 0.14 0.50 0.04 -0.55 8.53 8.67 1oc5A1 ASN 234 HA 0.07 0.19 0.82 -0.75 4.76 5.09 1oc5A1 ASN 234 HB2 0.17 0.05 0.16 -0.04 2.88 3.21 1oc5A1 ASN 234 HB3 0.09 -0.06 0.19 -0.04 2.79 2.97 1oc5A1 ASN 234 HD21 -0.02 0.03 -0.08 -0.04 7.03 6.92 1oc5A1 ASN 234 HD22 0.28 -0.09 -0.02 -0.04 7.74 7.87 1oc5A1 MET 235 H 0.05 0.25 -0.26 -0.55 8.47 7.96 1oc5A1 MET 235 HA 0.01 0.05 0.26 -0.75 4.52 4.08 1oc5A1 MET 235 HB2 0.02 0.05 -0.02 -0.04 2.15 2.16 1oc5A1 MET 235 HB3 0.00 -0.00 0.06 -0.04 2.03 2.04 1oc5A1 MET 235 HG2 0.02 0.01 -0.03 -0.04 2.63 2.58 1oc5A1 MET 235 HG3 0.00 0.11 0.02 -0.04 2.56 2.65 1oc5A1 MET 235 HE3 -0.02 0.00 0.03 -0.04 2.10 2.07 1oc5A1 ASN 236 H 0.03 0.08 -0.43 -0.55 8.53 7.65 1oc5A1 ASN 236 HA 0.01 0.12 0.53 -0.75 4.76 4.66 1oc5A1 ASN 236 HB2 0.01 0.00 0.06 -0.04 2.88 2.91 1oc5A1 ASN 236 HB3 0.01 0.02 0.04 -0.04 2.79 2.81 1oc5A1 ASN 236 HD21 0.02 -0.00 -0.06 -0.04 7.03 6.94 1oc5A1 ASN 236 HD22 0.01 -0.01 -0.14 -0.04 7.74 7.57 1oc5A1 VAL 237 H 0.02 0.43 -0.24 -0.55 8.24 7.90 1oc5A1 VAL 237 HA 0.02 0.15 0.55 -0.75 4.13 4.10 1oc5A1 VAL 237 HB 0.03 0.00 0.17 -0.04 2.12 2.27 1oc5A1 VAL 237 HG13 0.03 -0.04 -0.03 -0.04 0.97 0.89 1oc5A1 VAL 237 HG23 0.04 -0.00 0.07 -0.04 0.95 1.01 1oc5A1 PRO 238 HA -0.01 0.09 0.32 -0.51 4.44 4.34 1oc5A1 PRO 238 HB2 0.00 -0.01 0.09 -0.04 2.28 2.32 1oc5A1 PRO 238 HB3 -0.00 0.03 0.08 -0.04 2.02 2.09 1oc5A1 PRO 238 HG2 0.01 0.03 0.11 -0.04 2.03 2.14 1oc5A1 PRO 238 HG3 0.00 0.09 0.12 -0.04 2.03 2.20 1oc5A1 PRO 238 HD2 0.01 0.06 0.24 -0.04 3.68 3.96 1oc5A1 PRO 238 HD3 0.01 0.38 0.39 -0.04 3.65 4.38 1oc5A1 LYS 239 H 0.00 0.19 -0.15 -0.55 8.42 7.91 1oc5A1 LYS 239 HA -0.02 0.03 0.46 -0.75 4.32 4.03 1oc5A1 LYS 239 HB2 0.01 -0.00 0.11 -0.04 1.87 1.94 1oc5A1 LYS 239 HB3 0.01 0.23 0.09 -0.04 1.79 2.09 1oc5A1 LYS 239 HG2 0.00 -0.02 -0.09 -0.04 1.46 1.31 1oc5A1 LYS 239 HG3 0.00 -0.10 0.07 -0.04 1.46 1.39 1oc5A1 LYS 239 HD2 0.03 -0.03 -0.00 -0.04 1.69 1.65 1oc5A1 LYS 239 HD3 0.04 0.23 -0.01 -0.04 1.68 1.90 1oc5A1 LYS 239 HE2 0.06 0.08 -0.16 -0.04 2.99 2.92 1oc5A1 LYS 239 HE3 0.04 -0.15 -0.01 -0.04 2.99 2.83 1oc5A1 CYS 240 H -0.01 0.25 -0.32 -0.55 8.50 7.86 1oc5A1 CYS 240 HA -0.15 0.00 0.41 -0.75 4.58 4.09 1oc5A1 CYS 240 HB2 0.00 0.30 0.07 -0.04 2.97 3.30 1oc5A1 CYS 240 HB3 -0.02 -0.05 -0.22 -0.04 2.97 2.64 1oc5A1 SER 241 H -0.03 0.60 -0.07 -0.55 8.46 8.41 1oc5A1 SER 241 HA -0.05 0.00 0.44 -0.75 4.49 4.13 1oc5A1 SER 241 HB2 -0.02 0.29 0.10 -0.04 3.95 4.29 1oc5A1 SER 241 HB3 -0.02 0.03 0.06 -0.04 3.93 3.96 1oc5A1 GLY 242 H -0.05 0.56 -0.26 -0.55 8.43 8.13 1oc5A1 GLY 242 HA2 -0.04 0.04 0.40 -0.51 4.01 3.90 1oc5A1 GLY 242 HA3 -0.04 0.03 0.31 -0.51 4.01 3.79 1oc5A1 ALA 243 H -0.15 0.37 -0.39 -0.55 8.40 7.69 1oc5A1 ALA 243 HA -0.13 0.03 0.62 -0.75 4.34 4.11 1oc5A1 ALA 243 HB3 -0.39 0.00 0.13 -0.04 1.41 1.11 1oc5A1 ALA 244 H -0.15 0.44 -0.26 -0.55 8.40 7.88 1oc5A1 ALA 244 HA -0.20 -0.04 0.10 -0.75 4.34 3.44 1oc5A1 ALA 244 HB3 -0.07 0.06 0.08 -0.04 1.41 1.44 1oc5A1 SER 245 H -0.05 0.24 -0.12 -0.55 8.46 7.98 1oc5A1 SER 245 HA -0.01 0.10 0.38 -0.75 4.49 4.21 1oc5A1 SER 245 HB2 -0.01 0.00 0.06 -0.04 3.95 3.96 1oc5A1 SER 245 HB3 -0.02 0.00 0.09 -0.04 3.93 3.96 1oc5A1 THR 246 H -0.03 0.21 -0.32 -0.55 8.28 7.59 1oc5A1 THR 246 HA 0.02 0.04 0.53 -0.75 4.39 4.22 1oc5A1 THR 246 HB 0.01 0.19 0.15 -0.04 4.32 4.64 1oc5A1 THR 246 HG23 0.04 -0.03 -0.08 -0.04 1.22 1.10 1oc5A1 TYR 247 H 0.10 0.69 0.01 -0.55 8.29 8.54 1oc5A1 TYR 247 HA -0.05 -0.02 0.40 -0.75 4.56 4.13 1oc5A1 TYR 247 HB2 -0.01 0.13 0.06 -0.04 3.06 3.20 1oc5A1 TYR 247 HB3 -0.01 -0.09 -0.09 -0.04 2.98 2.76 1oc5A1 TYR 247 HD2 -0.01 -0.04 -0.19 -0.04 7.15 6.86 1oc5A1 TYR 247 HE2 0.02 0.14 -0.06 -0.04 6.85 6.91 1oc5A1 ARG 248 H 0.09 0.63 -0.16 -0.55 8.46 8.47 1oc5A1 ARG 248 HA 0.05 0.01 0.42 -0.75 4.34 4.06 1oc5A1 ARG 248 HB2 0.02 0.00 0.11 -0.04 1.90 1.99 1oc5A1 ARG 248 HB3 0.02 0.00 0.13 -0.04 1.80 1.92 1oc5A1 ARG 248 HG2 0.02 0.00 -0.19 -0.04 1.67 1.47 1oc5A1 ARG 248 HG3 0.00 -0.03 0.03 -0.04 1.67 1.63 1oc5A1 ARG 248 HD2 -0.01 0.00 -0.03 -0.04 3.22 3.14 1oc5A1 ARG 248 HD3 0.00 -0.02 -0.02 -0.04 3.22 3.15 1oc5A1 GLU 249 H 0.04 0.62 -0.03 -0.55 8.60 8.68 1oc5A1 GLU 249 HA 0.05 0.07 0.43 -0.75 4.29 4.09 1oc5A1 GLU 249 HB2 0.03 0.00 0.20 -0.04 2.09 2.28 1oc5A1 GLU 249 HB3 0.04 0.00 0.02 -0.04 1.99 2.00 1oc5A1 GLU 249 HG2 0.03 -0.00 0.05 -0.04 2.34 2.38 1oc5A1 GLU 249 HG3 0.02 0.01 0.11 -0.04 2.34 2.44 1oc5A1 LEU 250 H 0.06 0.68 -0.12 -0.55 8.37 8.44 1oc5A1 LEU 250 HA 0.18 0.03 0.48 -0.75 4.35 4.29 1oc5A1 LEU 250 HB2 -0.07 0.12 0.09 -0.04 1.64 1.74 1oc5A1 LEU 250 HB3 -0.02 -0.08 0.03 -0.04 1.64 1.52 1oc5A1 LEU 250 HG 0.01 0.08 0.08 -0.04 1.64 1.76 1oc5A1 LEU 250 HD13 -0.12 -0.04 -0.01 -0.04 0.93 0.72 1oc5A1 LEU 250 HD23 0.05 -0.01 -0.03 -0.04 0.89 0.86 1oc5A1 THR 251 H 0.08 0.57 -0.20 -0.55 8.28 8.18 1oc5A1 THR 251 HA 0.14 -0.05 0.49 -0.75 4.39 4.21 1oc5A1 THR 251 HB 0.07 0.14 0.18 -0.04 4.32 4.67 1oc5A1 THR 251 HG23 0.09 -0.02 -0.06 -0.04 1.22 1.20 1oc5A1 ILE 252 H 0.09 0.59 -0.07 -0.55 8.25 8.31 1oc5A1 ILE 252 HA 0.04 0.04 0.36 -0.75 4.18 3.87 1oc5A1 ILE 252 HB 0.07 0.08 0.17 -0.04 1.89 2.17 1oc5A1 ILE 252 HG12 0.01 0.07 -0.02 -0.04 1.49 1.51 1oc5A1 ILE 252 HG13 0.04 -0.04 0.08 -0.04 1.21 1.24 1oc5A1 ILE 252 HG23 0.03 0.00 -0.12 -0.04 0.93 0.80 1oc5A1 ILE 252 HD13 0.02 -0.01 -0.07 -0.04 0.88 0.77 1oc5A1 TYR 253 H 0.23 0.48 -0.23 -0.55 8.29 8.21 1oc5A1 TYR 253 HA 0.04 0.04 0.39 -0.75 4.56 4.28 1oc5A1 TYR 253 HB2 0.08 0.08 0.13 -0.04 3.06 3.31 1oc5A1 TYR 253 HB3 0.15 0.07 0.16 -0.04 2.98 3.31 1oc5A1 TYR 253 HD2 0.07 0.01 -0.06 -0.04 7.15 7.14 1oc5A1 TYR 253 HE2 0.02 0.03 0.01 -0.04 6.85 6.87 1oc5A1 ALA 254 H 0.27 0.55 -0.11 -0.55 8.40 8.57 1oc5A1 ALA 254 HA 0.05 -0.02 0.41 -0.75 4.34 4.03 1oc5A1 ALA 254 HB3 0.20 -0.01 0.09 -0.04 1.41 1.65 1oc5A1 LEU 255 H 0.06 0.64 -0.12 -0.55 8.37 8.39 1oc5A1 LEU 255 HA 0.00 -0.03 0.27 -0.75 4.35 3.84 1oc5A1 LEU 255 HB2 0.00 0.11 0.08 -0.04 1.64 1.79 1oc5A1 LEU 255 HB3 -0.00 0.01 -0.03 -0.04 1.64 1.57 1oc5A1 LEU 255 HG 0.06 0.19 -0.01 -0.04 1.64 1.83 1oc5A1 LEU 255 HD13 0.04 -0.01 -0.11 -0.04 0.93 0.81 1oc5A1 LEU 255 HD23 0.05 -0.04 -0.10 -0.04 0.89 0.75 1oc5A1 LYS 256 H -0.05 0.55 -0.16 -0.55 8.42 8.20 1oc5A1 LYS 256 HA -0.07 0.12 0.72 -0.75 4.32 4.33 1oc5A1 LYS 256 HB2 -0.12 0.02 0.15 -0.04 1.87 1.87 1oc5A1 LYS 256 HB3 -0.09 -0.06 0.02 -0.04 1.79 1.61 1oc5A1 LYS 256 HG2 -0.06 0.12 0.09 -0.04 1.46 1.57 1oc5A1 LYS 256 HG3 -0.04 0.06 0.11 -0.04 1.46 1.54 1oc5A1 LYS 256 HD2 -0.01 -0.07 -0.03 -0.04 1.69 1.53 1oc5A1 LYS 256 HD3 -0.04 -0.07 0.00 -0.04 1.68 1.53 1oc5A1 LYS 256 HE2 -0.05 0.18 -0.06 -0.04 2.99 3.01 1oc5A1 LYS 256 HE3 -0.03 0.02 0.04 -0.04 2.99 2.98 1oc5A1 GLN 257 H -0.21 0.63 0.01 -0.55 8.47 8.35 1oc5A1 GLN 257 HA -0.16 0.07 0.43 -0.75 4.36 3.94 1oc5A1 GLN 257 HB2 -0.25 -0.00 0.07 -0.04 2.15 1.93 1oc5A1 GLN 257 HB3 -0.18 -0.06 0.00 -0.04 2.02 1.74 1oc5A1 GLN 257 HG2 -0.92 0.18 0.09 -0.04 2.40 1.71 1oc5A1 GLN 257 HG3 -0.99 -0.13 -0.03 -0.04 2.39 1.20 1oc5A1 GLN 257 HE21 -0.14 -0.01 -0.05 -0.04 6.97 6.73 1oc5A1 GLN 257 HE22 -0.34 0.01 -0.05 -0.04 7.69 7.28 1oc5A1 LEU 258 H -0.07 0.50 -0.31 -0.55 8.37 7.93 1oc5A1 LEU 258 HA -0.06 0.11 0.55 -0.75 4.35 4.19 1oc5A1 LEU 258 HB2 -0.03 0.08 -0.02 -0.04 1.64 1.63 1oc5A1 LEU 258 HB3 -0.05 -0.05 0.05 -0.04 1.64 1.55 1oc5A1 LEU 258 HG -0.05 0.04 -0.04 -0.04 1.64 1.55 1oc5A1 LEU 258 HD13 -0.03 -0.05 -0.07 -0.04 0.93 0.74 1oc5A1 LEU 258 HD23 -0.06 0.04 -0.22 -0.04 0.89 0.61 1oc5A1 ASP 259 H -0.06 0.29 -0.69 -0.55 8.40 7.39 1oc5A1 ASP 259 HA -0.05 0.00 0.47 -0.75 4.63 4.30 1oc5A1 ASP 259 HB2 -0.05 0.27 0.21 -0.04 2.71 3.10 1oc5A1 ASP 259 HB3 -0.06 0.16 0.25 -0.04 2.70 3.01 1oc5A1 LEU 260 H -0.07 0.42 0.21 -0.55 8.37 8.39 1oc5A1 LEU 260 HA -0.01 0.19 0.81 -0.75 4.35 4.58 1oc5A1 LEU 260 HB2 -0.17 -0.01 -0.02 -0.04 1.64 1.40 1oc5A1 LEU 260 HB3 0.08 -0.01 0.00 -0.04 1.64 1.68 1oc5A1 LEU 260 HG -0.04 -0.05 -0.54 -0.04 1.64 0.96 1oc5A1 LEU 260 HD13 0.04 -0.00 -0.10 -0.04 0.93 0.82 1oc5A1 LEU 260 HD23 0.01 0.03 -0.10 -0.04 0.89 0.80 1oc5A1 PRO 261 HA -0.03 0.09 0.39 -0.51 4.44 4.38 1oc5A1 PRO 261 HB2 0.06 0.11 -0.09 -0.04 2.28 2.33 1oc5A1 PRO 261 HB3 -0.01 -0.02 0.08 -0.04 2.02 2.03 1oc5A1 PRO 261 HG2 0.01 0.01 0.06 -0.04 2.03 2.08 1oc5A1 PRO 261 HG3 -0.02 0.01 0.07 -0.04 2.03 2.06 1oc5A1 PRO 261 HD2 0.07 0.10 0.18 -0.04 3.68 4.00 1oc5A1 PRO 261 HD3 0.01 0.16 0.21 -0.04 3.65 4.00 1oc5A1 HIS 262 H 0.24 -0.00 -0.31 -0.55 8.41 7.79 1oc5A1 HIS 262 HA 0.20 0.31 0.81 -0.75 4.63 5.20 1oc5A1 HIS 262 HB2 0.04 -0.02 0.10 -0.04 3.26 3.34 1oc5A1 HIS 262 HB3 0.04 0.14 0.06 -0.04 3.20 3.40 1oc5A1 HIS 262 HD2 0.01 0.28 -0.03 -0.04 6.97 7.17 1oc5A1 HIS 262 HE1 0.01 -0.13 -0.37 -0.04 7.75 7.22 1oc5A1 VAL 263 H -0.05 0.45 -0.25 -0.55 8.24 7.83 1oc5A1 VAL 263 HA -0.17 0.29 1.02 -0.75 4.13 4.52 1oc5A1 VAL 263 HB -0.15 0.01 0.19 -0.04 2.12 2.13 1oc5A1 VAL 263 HG13 -0.08 -0.03 -0.14 -0.04 0.97 0.69 1oc5A1 VAL 263 HG23 -0.55 -0.04 -0.09 -0.04 0.95 0.23 1oc5A1 ALA 264 H -0.08 0.53 0.46 -0.55 8.40 8.77 1oc5A1 ALA 264 HA 0.04 0.40 0.97 -0.75 4.34 4.99 1oc5A1 ALA 264 HB3 -0.08 -0.03 0.04 -0.04 1.41 1.30 1oc5A1 MET 265 H -0.13 0.77 0.33 -0.55 8.47 8.89 1oc5A1 MET 265 HA 0.03 0.23 1.10 -0.75 4.52 5.13 1oc5A1 MET 265 HB2 -0.04 0.03 -0.13 -0.04 2.15 1.97 1oc5A1 MET 265 HB3 -0.00 -0.10 -0.18 -0.04 2.03 1.70 1oc5A1 MET 265 HG2 0.01 -0.09 -0.13 -0.04 2.63 2.39 1oc5A1 MET 265 HG3 -0.02 0.09 -0.43 -0.04 2.56 2.15 1oc5A1 MET 265 HE3 -0.03 0.05 -0.31 -0.04 2.10 1.77 1oc5A1 TYR 266 H 0.16 0.59 0.26 -0.55 8.29 8.75 1oc5A1 TYR 266 HA -0.03 0.27 0.65 -0.75 4.56 4.70 1oc5A1 TYR 266 HB2 -0.01 -0.05 0.02 -0.04 3.06 2.98 1oc5A1 TYR 266 HB3 -0.07 -0.09 -0.44 -0.04 2.98 2.34 1oc5A1 TYR 266 HD2 -0.01 0.10 -0.29 -0.04 7.15 6.91 1oc5A1 TYR 266 HE2 0.08 0.03 -0.34 -0.04 6.85 6.58 1oc5A1 MET 267 H 0.04 0.59 0.30 -0.55 8.47 8.85 1oc5A1 MET 267 HA 0.06 0.03 0.83 -0.75 4.52 4.69 1oc5A1 MET 267 HB2 0.08 0.05 0.13 -0.04 2.15 2.37 1oc5A1 MET 267 HB3 0.19 0.02 0.06 -0.04 2.03 2.26 1oc5A1 MET 267 HG2 0.12 -0.04 0.04 -0.04 2.63 2.70 1oc5A1 MET 267 HG3 0.10 0.05 0.01 -0.04 2.56 2.67 1oc5A1 MET 267 HE3 0.20 0.02 -0.03 -0.04 2.10 2.26 1oc5A1 ASP 268 H 0.02 0.52 0.24 -0.55 8.40 8.64 1oc5A1 ASP 268 HA -0.04 0.07 0.55 -0.75 4.63 4.46 1oc5A1 ASP 268 HB2 -0.04 0.06 -0.10 -0.04 2.71 2.58 1oc5A1 ASP 268 HB3 0.03 0.06 0.08 -0.04 2.70 2.84 1oc5A1 ALA 269 H -0.02 0.64 0.34 -0.55 8.40 8.81 1oc5A1 ALA 269 HA -0.18 0.11 0.79 -0.75 4.34 4.31 1oc5A1 ALA 269 HB3 -0.22 0.04 -0.02 -0.04 1.41 1.17 1oc5A1 GLY 270 H -0.02 -0.00 0.02 -0.55 8.43 7.88 1oc5A1 GLY 270 HA2 0.17 0.01 0.35 -0.51 4.01 4.04 1oc5A1 GLY 270 HA3 -0.20 0.03 0.37 -0.51 4.01 3.69 1oc5A1 HIS 271 H -0.15 0.12 0.32 -0.55 8.41 8.16 1oc5A1 HIS 271 HA 0.12 0.18 0.74 -0.75 4.63 4.91 1oc5A1 HIS 271 HB2 0.08 0.03 0.15 -0.04 3.26 3.49 1oc5A1 HIS 271 HB3 0.10 0.01 -0.19 -0.04 3.20 3.08 1oc5A1 HIS 271 HD2 0.19 -0.01 -0.14 -0.04 6.97 6.97 1oc5A1 HIS 271 HE1 -0.84 0.18 -0.18 -0.04 7.75 6.87 1oc5A1 ALA 272 H 0.09 0.21 0.08 -0.55 8.40 8.24 1oc5A1 ALA 272 HA -1.03 0.08 0.31 -0.75 4.34 2.94 1oc5A1 ALA 272 HB3 0.11 0.12 -0.11 -0.04 1.41 1.49 1oc5A1 GLY 273 H -0.49 -0.01 -0.33 -0.55 8.43 7.05 1oc5A1 GLY 273 HA2 -1.85 0.24 0.44 -0.51 4.01 2.32 1oc5A1 GLY 273 HA3 -2.84 0.04 0.21 -0.51 4.01 0.90 1oc5A1 TRP 274 H -0.77 0.27 -0.44 -0.55 7.97 6.48 1oc5A1 TRP 274 HA -0.21 0.27 0.85 -0.75 4.62 4.77 1oc5A1 TRP 274 HB2 -0.59 0.01 -0.02 -0.04 3.23 2.58 1oc5A1 TRP 274 HB3 -0.44 -0.29 0.26 -0.04 3.23 2.71 1oc5A1 TRP 274 HD1 -0.07 0.07 -0.18 -0.04 7.22 7.00 1oc5A1 TRP 274 HE1 -0.01 0.01 -0.10 -0.04 10.20 10.05 1oc5A1 TRP 274 HE3 -0.01 -0.07 0.01 -0.04 7.59 7.49 1oc5A1 TRP 274 HZ2 0.02 0.01 -0.35 -0.04 7.44 7.09 1oc5A1 TRP 274 HZ3 -0.01 -0.04 -0.01 -0.04 7.13 7.02 1oc5A1 TRP 274 HH2 0.02 -0.02 -0.14 -0.04 7.19 7.00 1oc5A1 LEU 275 H -0.34 0.12 0.20 -0.55 8.37 7.80 1oc5A1 LEU 275 HA -0.11 0.17 0.47 -0.75 4.35 4.13 1oc5A1 LEU 275 HB2 -0.31 0.08 0.00 -0.04 1.64 1.38 1oc5A1 LEU 275 HB3 -0.24 0.08 0.02 -0.04 1.64 1.46 1oc5A1 LEU 275 HG -0.76 -0.20 -0.03 -0.04 1.64 0.60 1oc5A1 LEU 275 HD13 -0.11 0.03 -0.13 -0.04 0.93 0.68 1oc5A1 LEU 275 HD23 -0.51 0.04 -0.10 -0.04 0.89 0.28 1oc5A1 GLY 276 H -0.68 0.10 -0.17 -0.55 8.43 7.13 1oc5A1 GLY 276 HA2 -0.31 0.08 0.45 -0.51 4.01 3.71 1oc5A1 GLY 276 HA3 -0.67 -0.00 0.36 -0.51 4.01 3.19 1oc5A1 TRP 277 H -0.01 0.11 -0.38 -0.55 7.97 7.15 1oc5A1 TRP 277 HA -0.02 0.10 0.50 -0.75 4.62 4.44 1oc5A1 TRP 277 HB2 -0.05 0.02 0.01 -0.04 3.23 3.18 1oc5A1 TRP 277 HB3 -0.00 -0.08 -0.01 -0.04 3.23 3.09 1oc5A1 TRP 277 HD1 -0.17 0.17 -0.26 -0.04 7.22 6.92 1oc5A1 TRP 277 HE1 -0.30 0.21 0.03 -0.04 10.20 10.10 1oc5A1 TRP 277 HE3 0.05 -0.03 0.02 -0.04 7.59 7.59 1oc5A1 TRP 277 HZ2 0.39 -0.00 -0.02 -0.04 7.44 7.76 1oc5A1 TRP 277 HZ3 0.10 -0.00 -0.21 -0.04 7.13 6.98 1oc5A1 TRP 277 HH2 0.20 0.16 -0.34 -0.04 7.19 7.17 1oc5A1 PRO 278 HA 0.10 0.10 0.40 -0.51 4.44 4.52 1oc5A1 PRO 278 HB2 0.15 -0.01 0.09 -0.04 2.28 2.47 1oc5A1 PRO 278 HB3 0.10 0.05 0.10 -0.04 2.02 2.23 1oc5A1 PRO 278 HG2 0.14 0.07 0.15 -0.04 2.03 2.35 1oc5A1 PRO 278 HG3 0.08 0.07 0.16 -0.04 2.03 2.29 1oc5A1 PRO 278 HD2 0.44 0.09 0.22 -0.04 3.68 4.39 1oc5A1 PRO 278 HD3 0.09 0.12 0.31 -0.04 3.65 4.13 1oc5A1 ALA 279 H 0.18 0.10 -0.28 -0.55 8.40 7.86 1oc5A1 ALA 279 HA 0.08 0.11 0.48 -0.75 4.34 4.25 1oc5A1 ALA 279 HB3 0.05 0.01 0.03 -0.04 1.41 1.46 1oc5A1 ASN 280 H 0.14 0.39 -0.35 -0.55 8.53 8.16 1oc5A1 ASN 280 HA 0.06 0.17 0.83 -0.75 4.76 5.07 1oc5A1 ASN 280 HB2 0.11 0.12 -0.02 -0.04 2.88 3.05 1oc5A1 ASN 280 HB3 0.04 -0.11 0.02 -0.04 2.79 2.70 1oc5A1 ASN 280 HD21 0.08 -0.07 -0.03 -0.04 7.03 6.97 1oc5A1 ASN 280 HD22 0.25 0.52 0.10 -0.04 7.74 8.57 1oc5A1 ILE 281 H 0.07 0.29 -0.12 -0.55 8.25 7.94 1oc5A1 ILE 281 HA -0.04 0.08 0.33 -0.75 4.18 3.79 1oc5A1 ILE 281 HB 0.01 0.13 -0.01 -0.04 1.89 1.98 1oc5A1 ILE 281 HG12 0.15 -0.03 -0.08 -0.04 1.49 1.49 1oc5A1 ILE 281 HG13 -0.18 -0.04 -0.00 -0.04 1.21 0.95 1oc5A1 ILE 281 HG23 0.08 0.04 -0.00 -0.04 0.93 1.01 1oc5A1 ILE 281 HD13 0.12 0.01 -0.11 -0.04 0.88 0.86 1oc5A1 GLN 282 H 0.09 0.20 -0.10 -0.55 8.47 8.10 1oc5A1 GLN 282 HA 0.14 0.08 0.50 -0.75 4.36 4.32 1oc5A1 GLN 282 HB2 0.08 0.02 0.09 -0.04 2.15 2.30 1oc5A1 GLN 282 HB3 0.07 0.06 0.07 -0.04 2.02 2.19 1oc5A1 GLN 282 HG2 0.07 -0.03 -0.15 -0.04 2.40 2.26 1oc5A1 GLN 282 HG3 0.09 0.01 0.06 -0.04 2.39 2.50 1oc5A1 GLN 282 HE21 0.04 -0.01 -0.02 -0.04 6.97 6.95 1oc5A1 GLN 282 HE22 0.05 -0.01 -0.05 -0.04 7.69 7.63 1oc5A1 PRO 283 HA 0.06 0.04 0.44 -0.51 4.44 4.47 1oc5A1 PRO 283 HB2 0.04 0.08 0.02 -0.04 2.28 2.38 1oc5A1 PRO 283 HB3 0.04 0.01 0.10 -0.04 2.02 2.14 1oc5A1 PRO 283 HG2 0.05 0.18 0.12 -0.04 2.03 2.34 1oc5A1 PRO 283 HG3 0.05 -0.00 0.06 -0.04 2.03 2.10 1oc5A1 PRO 283 HD2 0.07 0.06 -0.50 -0.04 3.68 3.27 1oc5A1 PRO 283 HD3 0.07 0.06 0.02 -0.04 3.65 3.76 1oc5A1 ALA 284 H 0.10 0.52 -0.30 -0.55 8.40 8.18 1oc5A1 ALA 284 HA 0.13 -0.04 0.48 -0.75 4.34 4.16 1oc5A1 ALA 284 HB3 0.13 0.03 0.08 -0.04 1.41 1.61 1oc5A1 ALA 285 H 0.33 0.54 -0.10 -0.55 8.40 8.63 1oc5A1 ALA 285 HA 0.34 -0.03 0.37 -0.75 4.34 4.27 1oc5A1 ALA 285 HB3 0.23 0.04 -0.03 -0.04 1.41 1.60 1oc5A1 GLU 286 H 0.14 0.58 -0.14 -0.55 8.60 8.63 1oc5A1 GLU 286 HA 0.08 0.06 0.42 -0.75 4.29 4.10 1oc5A1 GLU 286 HB2 0.07 0.00 0.09 -0.04 2.09 2.21 1oc5A1 GLU 286 HB3 0.06 0.00 0.15 -0.04 1.99 2.16 1oc5A1 GLU 286 HG2 0.03 -0.02 -0.14 -0.04 2.34 2.17 1oc5A1 GLU 286 HG3 0.04 0.00 0.06 -0.04 2.34 2.41 1oc5A1 LEU 287 H 0.06 0.48 -0.26 -0.55 8.37 8.09 1oc5A1 LEU 287 HA -0.05 0.00 0.29 -0.75 4.35 3.84 1oc5A1 LEU 287 HB2 -0.09 0.00 0.09 -0.04 1.64 1.59 1oc5A1 LEU 287 HB3 -0.23 0.00 0.18 -0.04 1.64 1.54 1oc5A1 LEU 287 HG -0.47 0.00 -0.26 -0.04 1.64 0.86 1oc5A1 LEU 287 HD13 -0.10 -0.01 -0.00 -0.04 0.93 0.77 1oc5A1 LEU 287 HD23 -0.34 -0.05 -0.07 -0.04 0.89 0.39 1oc5A1 PHE 288 H 0.15 0.61 -0.01 -0.55 8.34 8.54 1oc5A1 PHE 288 HA 0.10 -0.05 0.38 -0.75 4.62 4.30 1oc5A1 PHE 288 HB2 0.12 0.12 0.10 -0.04 3.15 3.45 1oc5A1 PHE 288 HB3 0.24 -0.00 -0.01 -0.04 3.06 3.25 1oc5A1 PHE 288 HD2 0.17 0.14 -0.00 -0.04 7.28 7.56 1oc5A1 PHE 288 HE2 0.03 -0.06 -0.02 -0.04 7.38 7.28 1oc5A1 PHE 288 HZ -0.04 -0.21 -0.02 -0.04 7.32 7.00 1oc5A1 ALA 289 H 0.23 0.62 -0.14 -0.55 8.40 8.55 1oc5A1 ALA 289 HA 0.25 0.00 0.39 -0.75 4.34 4.23 1oc5A1 ALA 289 HB3 0.16 0.08 0.10 -0.04 1.41 1.71 1oc5A1 LYS 290 H 0.07 0.49 -0.22 -0.55 8.42 8.20 1oc5A1 LYS 290 HA 0.02 0.04 0.49 -0.75 4.32 4.12 1oc5A1 LYS 290 HB2 0.02 0.06 0.13 -0.04 1.87 2.03 1oc5A1 LYS 290 HB3 -0.00 0.08 0.16 -0.04 1.79 1.99 1oc5A1 LYS 290 HG2 -0.00 -0.05 -0.02 -0.04 1.46 1.35 1oc5A1 LYS 290 HG3 -0.01 -0.05 -0.17 -0.04 1.46 1.19 1oc5A1 LYS 290 HD2 -0.01 -0.03 0.06 -0.04 1.69 1.68 1oc5A1 LYS 290 HD3 0.01 0.05 0.04 -0.04 1.68 1.73 1oc5A1 LYS 290 HE2 -0.00 -0.00 0.00 -0.04 2.99 2.95 1oc5A1 LYS 290 HE3 0.00 -0.01 -0.00 -0.04 2.99 2.94 1oc5A1 ILE 291 H 0.01 0.56 -0.06 -0.55 8.25 8.21 1oc5A1 ILE 291 HA -0.01 -0.02 0.48 -0.75 4.18 3.88 1oc5A1 ILE 291 HB 0.05 0.14 0.15 -0.04 1.89 2.19 1oc5A1 ILE 291 HG12 -0.07 0.23 0.08 -0.04 1.49 1.70 1oc5A1 ILE 291 HG13 -0.09 -0.11 -0.01 -0.04 1.21 0.96 1oc5A1 ILE 291 HG23 0.05 -0.02 -0.14 -0.04 0.93 0.77 1oc5A1 ILE 291 HD13 -0.01 -0.02 0.02 -0.04 0.88 0.83 1oc5A1 TYR 292 H 0.03 0.58 -0.17 -0.55 8.29 8.19 1oc5A1 TYR 292 HA -0.27 -0.01 0.40 -0.75 4.56 3.92 1oc5A1 TYR 292 HB2 -0.95 0.01 0.09 -0.04 3.06 2.16 1oc5A1 TYR 292 HB3 -0.43 0.17 0.14 -0.04 2.98 2.82 1oc5A1 TYR 292 HD2 -0.40 -0.01 -0.08 -0.04 7.15 6.63 1oc5A1 TYR 292 HE2 -0.11 0.18 -0.01 -0.04 6.85 6.86 1oc5A1 GLU 293 H -0.04 0.62 -0.07 -0.55 8.60 8.56 1oc5A1 GLU 293 HA -0.24 0.03 0.45 -0.75 4.29 3.77 1oc5A1 GLU 293 HB2 -0.04 0.08 0.18 -0.04 2.09 2.27 1oc5A1 GLU 293 HB3 -0.06 -0.08 -0.03 -0.04 1.99 1.77 1oc5A1 GLU 293 HG2 -0.05 -0.04 0.07 -0.04 2.34 2.28 1oc5A1 GLU 293 HG3 0.01 0.26 0.13 -0.04 2.34 2.70 1oc5A1 ASP 294 H -0.06 0.65 -0.14 -0.55 8.40 8.31 1oc5A1 ASP 294 HA -0.05 0.00 0.38 -0.75 4.63 4.21 1oc5A1 ASP 294 HB2 -0.02 0.07 0.17 -0.04 2.71 2.89 1oc5A1 ASP 294 HB3 -0.02 -0.09 0.08 -0.04 2.70 2.63 1oc5A1 ALA 295 H -0.09 0.45 -0.36 -0.55 8.40 7.85 1oc5A1 ALA 295 HA -0.05 0.04 0.64 -0.75 4.34 4.21 1oc5A1 ALA 295 HB3 -0.06 -0.01 0.10 -0.04 1.41 1.39 1oc5A1 GLY 296 H -0.14 0.45 -0.51 -0.55 8.43 7.68 1oc5A1 GLY 296 HA2 -0.14 0.02 0.29 -0.51 4.01 3.67 1oc5A1 GLY 296 HA3 -0.12 0.01 0.43 -0.51 4.01 3.82 1oc5A1 LYS 297 H -0.44 0.45 -0.05 -0.55 8.42 7.83 1oc5A1 LYS 297 HA -1.24 0.01 0.24 -0.75 4.32 2.58 1oc5A1 LYS 297 HB2 -0.31 0.04 -0.01 -0.04 1.87 1.55 1oc5A1 LYS 297 HB3 -0.55 0.01 0.08 -0.04 1.79 1.29 1oc5A1 LYS 297 HG2 -1.24 0.00 -0.19 -0.04 1.46 -0.01 1oc5A1 LYS 297 HG3 -0.41 -0.07 -0.16 -0.04 1.46 0.78 1oc5A1 LYS 297 HD2 -0.16 -0.06 -0.02 -0.04 1.69 1.41 1oc5A1 LYS 297 HD3 -0.13 0.07 0.01 -0.04 1.68 1.60 1oc5A1 LYS 297 HE2 -0.12 -0.01 -0.05 -0.04 2.99 2.77 1oc5A1 LYS 297 HE3 -0.11 -0.08 0.00 -0.04 2.99 2.76 1oc5A1 PRO 298 HA -0.09 0.06 0.29 -0.51 4.44 4.20 1oc5A1 PRO 298 HB2 -0.03 -0.15 -0.02 -0.04 2.28 2.03 1oc5A1 PRO 298 HB3 -0.06 0.08 0.08 -0.04 2.02 2.08 1oc5A1 PRO 298 HG2 -0.04 -0.08 -0.06 -0.04 2.03 1.80 1oc5A1 PRO 298 HG3 -0.08 0.26 -0.06 -0.04 2.03 2.11 1oc5A1 PRO 298 HD2 -0.11 0.01 0.06 -0.04 3.68 3.60 1oc5A1 PRO 298 HD3 -0.23 0.06 -0.27 -0.04 3.65 3.17 1oc5A1 ARG 299 H -0.06 0.11 0.19 -0.55 8.46 8.16 1oc5A1 ARG 299 HA -0.02 0.13 0.33 -0.75 4.34 4.03 1oc5A1 ARG 299 HB2 -0.06 -0.01 0.16 -0.04 1.90 1.95 1oc5A1 ARG 299 HB3 -0.06 -0.04 0.09 -0.04 1.80 1.75 1oc5A1 ARG 299 HG2 -0.11 0.09 -0.25 -0.04 1.67 1.35 1oc5A1 ARG 299 HG3 -0.08 -0.03 0.07 -0.04 1.67 1.60 1oc5A1 ARG 299 HD2 -0.08 -0.06 0.03 -0.04 3.22 3.07 1oc5A1 ARG 299 HD3 -0.11 -0.01 -0.03 -0.04 3.22 3.04 1oc5A1 ALA 300 H -0.04 -0.00 -0.27 -0.55 8.40 7.55 1oc5A1 ALA 300 HA 0.01 0.22 0.45 -0.75 4.34 4.26 1oc5A1 ALA 300 HB3 -0.02 -0.02 -0.02 -0.04 1.41 1.31 1oc5A1 VAL 301 H 0.01 0.41 -0.43 -0.55 8.24 7.68 1oc5A1 VAL 301 HA -0.08 -0.01 0.64 -0.75 4.13 3.92 1oc5A1 VAL 301 HB 0.17 0.20 0.09 -0.04 2.12 2.54 1oc5A1 VAL 301 HG13 -0.01 -0.04 -0.12 -0.04 0.97 0.77 1oc5A1 VAL 301 HG23 0.02 -0.04 -0.05 -0.04 0.95 0.84 1oc5A1 ARG 302 H -0.36 0.47 0.42 -0.55 8.46 8.44 1oc5A1 ARG 302 HA -0.09 0.21 0.63 -0.75 4.34 4.33 1oc5A1 ARG 302 HB2 -1.03 -0.03 0.03 -0.04 1.90 0.83 1oc5A1 ARG 302 HB3 -0.21 -0.12 -0.08 -0.04 1.80 1.34 1oc5A1 ARG 302 HG2 -0.06 0.15 -0.01 -0.04 1.67 1.71 1oc5A1 ARG 302 HG3 0.01 -0.10 -0.01 -0.04 1.67 1.53 1oc5A1 ARG 302 HD2 0.01 0.05 0.04 -0.04 3.22 3.28 1oc5A1 ARG 302 HD3 0.12 0.18 -0.04 -0.04 3.22 3.44 1oc5A1 GLY 303 H -0.28 0.25 0.19 -0.55 8.43 8.05 1oc5A1 GLY 303 HA2 -0.32 0.00 0.29 -0.51 4.01 3.46 1oc5A1 GLY 303 HA3 -0.37 0.36 0.76 -0.51 4.01 4.25 1oc5A1 LEU 304 H -0.50 0.65 0.30 -0.55 8.37 8.26 1oc5A1 LEU 304 HA -0.12 0.18 0.98 -0.75 4.35 4.64 1oc5A1 LEU 304 HB2 -0.81 -0.02 -0.08 -0.04 1.64 0.68 1oc5A1 LEU 304 HB3 -0.27 -0.00 -0.05 -0.04 1.64 1.28 1oc5A1 LEU 304 HG -0.78 -0.05 -0.32 -0.04 1.64 0.44 1oc5A1 LEU 304 HD13 -0.62 -0.01 -0.12 -0.04 0.93 0.15 1oc5A1 LEU 304 HD23 -0.28 0.03 -0.12 -0.04 0.89 0.48 1oc5A1 ALA 305 H -0.04 0.60 0.11 -0.55 8.40 8.52 1oc5A1 ALA 305 HA -0.03 0.31 1.04 -0.75 4.34 4.91 1oc5A1 ALA 305 HB3 -0.09 -0.03 -0.09 -0.04 1.41 1.16 1oc5A1 THR 306 H 0.09 0.67 0.41 -0.55 8.28 8.90 1oc5A1 THR 306 HA 0.15 0.26 1.12 -0.75 4.39 5.17 1oc5A1 THR 306 HB 0.34 -0.10 0.12 -0.04 4.32 4.65 1oc5A1 THR 306 HG23 0.25 0.04 -0.29 -0.04 1.22 1.18 1oc5A1 ASN 307 H 0.22 0.57 0.34 -0.55 8.53 9.12 1oc5A1 ASN 307 HA 0.15 -0.05 0.28 -0.75 4.76 4.38 1oc5A1 ASN 307 HB2 0.20 -0.06 -0.14 -0.04 2.88 2.84 1oc5A1 ASN 307 HB3 0.13 0.19 0.19 -0.04 2.79 3.26 1oc5A1 ASN 307 HD21 0.08 -0.03 -0.27 -0.04 7.03 6.77 1oc5A1 ASN 307 HD22 0.10 0.74 0.04 -0.04 7.74 8.58 1oc5A1 VAL 308 H 0.06 0.09 -0.44 -0.55 8.24 7.40 1oc5A1 VAL 308 HA 0.02 -0.04 0.37 -0.75 4.13 3.73 1oc5A1 VAL 308 HB 0.01 -0.07 0.04 -0.04 2.12 2.06 1oc5A1 VAL 308 HG13 0.04 0.01 -0.18 -0.04 0.97 0.80 1oc5A1 VAL 308 HG23 -0.11 0.02 -0.15 -0.04 0.95 0.67 1oc5A1 ALA 309 H 0.04 0.00 0.23 -0.55 8.40 8.12 1oc5A1 ALA 309 HA -0.09 0.02 0.35 -0.75 4.34 3.87 1oc5A1 ALA 309 HB3 -0.02 0.04 -0.01 -0.04 1.41 1.39 1oc5A1 ASN 310 H -0.12 0.40 -0.59 -0.55 8.53 7.67 1oc5A1 ASN 310 HA -0.54 0.28 0.88 -0.75 4.76 4.62 1oc5A1 ASN 310 HB2 -0.16 -0.06 -0.15 -0.04 2.88 2.47 1oc5A1 ASN 310 HB3 -0.22 -0.21 0.11 -0.04 2.79 2.43 1oc5A1 ASN 310 HD21 -0.02 -0.04 -0.16 -0.04 7.03 6.77 1oc5A1 ASN 310 HD22 -0.05 0.22 -0.35 -0.04 7.74 7.53 1oc5A1 TYR 311 H 0.11 0.07 0.10 -0.55 8.29 8.02 1oc5A1 TYR 311 HA 0.03 0.24 0.61 -0.75 4.56 4.68 1oc5A1 TYR 311 HB2 0.04 -0.06 0.03 -0.04 3.06 3.03 1oc5A1 TYR 311 HB3 0.01 0.19 0.15 -0.04 2.98 3.30 1oc5A1 TYR 311 HD2 0.03 0.10 -0.01 -0.04 7.15 7.23 1oc5A1 TYR 311 HE2 0.09 -0.01 -0.01 -0.04 6.85 6.88 1oc5A1 ASN 312 H 0.15 -0.05 -0.06 -0.55 8.53 8.03 1oc5A1 ASN 312 HA 0.26 0.07 0.26 -0.75 4.76 4.60 1oc5A1 ASN 312 HB2 0.24 -0.03 0.02 -0.04 2.88 3.07 1oc5A1 ASN 312 HB3 0.30 0.08 0.06 -0.04 2.79 3.18 1oc5A1 ASN 312 HD21 0.74 -0.15 -0.00 -0.04 7.03 7.57 1oc5A1 ASN 312 HD22 0.40 -0.09 0.02 -0.04 7.74 8.02 1oc5A1 ALA 313 H 0.15 0.09 0.21 -0.55 8.40 8.31 1oc5A1 ALA 313 HA 0.12 0.28 0.58 -0.75 4.34 4.57 1oc5A1 ALA 313 HB3 0.07 0.00 -0.02 -0.04 1.41 1.42 1oc5A1 TRP 314 H 0.23 0.28 0.16 -0.55 7.97 8.09 1oc5A1 TRP 314 HA 0.06 -0.02 0.73 -0.75 4.62 4.65 1oc5A1 TRP 314 HB2 -0.07 0.06 0.08 -0.04 3.23 3.26 1oc5A1 TRP 314 HB3 -0.14 0.07 0.19 -0.04 3.23 3.31 1oc5A1 TRP 314 HD1 -0.08 0.06 -0.01 -0.04 7.22 7.16 1oc5A1 TRP 314 HE1 0.14 0.07 -0.07 -0.04 10.20 10.31 1oc5A1 TRP 314 HE3 0.15 -0.05 -0.06 -0.04 7.59 7.59 1oc5A1 TRP 314 HZ2 0.12 0.05 -0.08 -0.04 7.44 7.48 1oc5A1 TRP 314 HZ3 -0.14 0.02 -0.22 -0.04 7.13 6.75 1oc5A1 TRP 314 HH2 -0.74 -0.01 -0.09 -0.04 7.19 6.32 1oc5A1 SER 315 H 0.02 0.28 0.03 -0.55 8.46 8.24 1oc5A1 SER 315 HA -0.33 0.03 0.70 -0.75 4.49 4.15 1oc5A1 SER 315 HB2 -1.09 -0.01 -0.21 -0.04 3.95 2.59 1oc5A1 SER 315 HB3 -0.17 0.05 0.06 -0.04 3.93 3.82 1oc5A1 VAL 316 H 0.02 0.21 0.06 -0.55 8.24 7.98 1oc5A1 VAL 316 HA 0.02 0.23 0.83 -0.75 4.13 4.45 1oc5A1 VAL 316 HB 0.00 -0.00 0.06 -0.04 2.12 2.13 1oc5A1 VAL 316 HG13 0.02 -0.00 -0.08 -0.04 0.97 0.87 1oc5A1 VAL 316 HG23 0.08 -0.02 -0.10 -0.04 0.95 0.87 1oc5A1 SER 317 H 0.01 0.17 0.12 -0.55 8.46 8.21 1oc5A1 SER 317 HA 0.06 0.09 0.40 -0.75 4.49 4.28 1oc5A1 SER 317 HB2 -0.01 0.02 0.05 -0.04 3.95 3.97 1oc5A1 SER 317 HB3 0.01 0.00 0.08 -0.04 3.93 3.98 1oc5A1 SER 318 H -0.07 0.10 -0.13 -0.55 8.46 7.81 1oc5A1 SER 318 HA -0.24 0.27 0.96 -0.75 4.49 4.72 1oc5A1 SER 318 HB2 -0.11 0.00 -0.13 -0.04 3.95 3.67 1oc5A1 SER 318 HB3 -0.14 0.00 -0.04 -0.04 3.93 3.71 1oc5A1 PRO 319 HA -0.79 0.07 0.42 -0.51 4.44 3.63 1oc5A1 PRO 319 HB2 -0.48 0.03 -0.05 -0.04 2.28 1.74 1oc5A1 PRO 319 HB3 -0.88 0.03 0.01 -0.04 2.02 1.14 1oc5A1 PRO 319 HG2 -0.43 0.02 0.03 -0.04 2.03 1.61 1oc5A1 PRO 319 HG3 -1.11 0.05 0.02 -0.04 2.03 0.95 1oc5A1 PRO 319 HD2 -0.36 0.08 0.16 -0.04 3.68 3.52 1oc5A1 PRO 319 HD3 -0.52 0.21 0.17 -0.04 3.65 3.47 1oc5A1 PRO 320 HA -0.41 0.17 0.53 -0.51 4.44 4.21 1oc5A1 PRO 320 HB2 -1.38 -0.11 0.04 -0.04 2.28 0.79 1oc5A1 PRO 320 HB3 -0.70 0.04 0.17 -0.04 2.02 1.49 1oc5A1 PRO 320 HG2 -0.24 -0.01 0.14 -0.04 2.03 1.88 1oc5A1 PRO 320 HG3 -0.19 0.07 0.14 -0.04 2.03 2.00 1oc5A1 PRO 320 HD2 -0.33 0.10 0.23 -0.04 3.68 3.64 1oc5A1 PRO 320 HD3 -0.21 0.25 0.26 -0.04 3.65 3.90 1oc5A1 PRO 321 HA -0.25 0.11 0.34 -0.51 4.44 4.13 1oc5A1 PRO 321 HB2 -0.10 0.06 -0.01 -0.04 2.28 2.19 1oc5A1 PRO 321 HB3 -0.11 0.02 0.10 -0.04 2.02 1.99 1oc5A1 PRO 321 HG2 -0.09 0.08 0.08 -0.04 2.03 2.06 1oc5A1 PRO 321 HG3 -0.14 0.05 0.10 -0.04 2.03 2.00 1oc5A1 PRO 321 HD2 -0.41 0.09 0.21 -0.04 3.68 3.52 1oc5A1 PRO 321 HD3 -0.28 0.17 0.25 -0.04 3.65 3.75 1oc5A1 TYR 322 H -1.02 0.13 -0.25 -0.55 8.29 6.61 1oc5A1 TYR 322 HA -0.05 0.17 0.44 -0.75 4.56 4.37 1oc5A1 TYR 322 HB2 -0.04 -0.25 -0.13 -0.04 3.06 2.60 1oc5A1 TYR 322 HB3 -0.08 0.19 -0.27 -0.04 2.98 2.78 1oc5A1 TYR 322 HD2 -0.42 0.05 -0.23 -0.04 7.15 6.52 1oc5A1 TYR 322 HE2 -0.33 0.08 -0.04 -0.04 6.85 6.51 1oc5A1 THR 323 H -0.66 0.47 -0.56 -0.55 8.28 6.97 1oc5A1 THR 323 HA -0.48 0.08 0.77 -0.75 4.39 4.01 1oc5A1 THR 323 HB -0.79 -0.06 0.06 -0.04 4.32 3.49 1oc5A1 THR 323 HG23 -1.55 -0.01 -0.01 -0.04 1.22 -0.39 1oc5A1 SER 324 H -0.12 0.34 -0.22 -0.55 8.46 7.92 1oc5A1 SER 324 HA 0.00 -0.01 0.37 -0.75 4.49 4.10 1oc5A1 SER 324 HB2 -0.08 0.03 0.08 -0.04 3.95 3.93 1oc5A1 SER 324 HB3 -0.00 0.10 0.10 -0.04 3.93 4.09 1oc5A1 PRO 325 HA 0.08 0.05 0.28 -0.51 4.44 4.33 1oc5A1 PRO 325 HB2 0.14 0.01 0.20 -0.04 2.28 2.59 1oc5A1 PRO 325 HB3 0.11 0.02 0.07 -0.04 2.02 2.17 1oc5A1 PRO 325 HG2 0.33 -0.01 0.02 -0.04 2.03 2.33 1oc5A1 PRO 325 HG3 0.16 0.01 0.06 -0.04 2.03 2.21 1oc5A1 PRO 325 HD2 0.66 0.04 0.15 -0.04 3.68 4.49 1oc5A1 PRO 325 HD3 0.24 0.12 0.30 -0.04 3.65 4.27 1oc5A1 ASN 326 H 0.00 0.67 0.19 -0.55 8.53 8.84 1oc5A1 ASN 326 HA -0.13 0.06 0.48 -0.75 4.76 4.41 1oc5A1 ASN 326 HB2 -2.04 0.03 0.06 -0.04 2.88 0.89 1oc5A1 ASN 326 HB3 -0.30 0.03 -0.04 -0.04 2.79 2.44 1oc5A1 ASN 326 HD21 -1.03 0.11 -0.23 -0.04 7.03 5.84 1oc5A1 ASN 326 HD22 -1.53 -0.07 -0.11 -0.04 7.74 5.99 1oc5A1 PRO 327 HA 0.02 0.09 0.47 -0.51 4.44 4.51 1oc5A1 PRO 327 HB2 0.03 0.01 -0.02 -0.04 2.28 2.26 1oc5A1 PRO 327 HB3 0.04 0.03 0.13 -0.04 2.02 2.18 1oc5A1 PRO 327 HG2 0.01 0.03 0.11 -0.04 2.03 2.14 1oc5A1 PRO 327 HG3 0.05 0.04 0.13 -0.04 2.03 2.21 1oc5A1 PRO 327 HD2 -0.00 0.02 0.31 -0.04 3.68 3.96 1oc5A1 PRO 327 HD3 0.07 0.29 0.32 -0.04 3.65 4.29 1oc5A1 ASN 328 H -0.13 0.15 -0.30 -0.55 8.53 7.70 1oc5A1 ASN 328 HA -0.19 0.03 0.65 -0.75 4.76 4.49 1oc5A1 ASN 328 HB2 -0.17 0.12 0.07 -0.04 2.88 2.86 1oc5A1 ASN 328 HB3 -0.04 -0.13 0.00 -0.04 2.79 2.58 1oc5A1 ASN 328 HD21 0.04 -0.03 -0.01 -0.04 7.03 6.98 1oc5A1 ASN 328 HD22 -0.03 0.54 0.12 -0.04 7.74 8.33 1oc5A1 TYR 329 H -0.78 0.31 -0.07 -0.55 8.29 7.20 1oc5A1 TYR 329 HA -0.02 0.13 0.34 -0.75 4.56 4.27 1oc5A1 TYR 329 HB2 -0.36 -0.07 0.08 -0.04 3.06 2.68 1oc5A1 TYR 329 HB3 -0.28 0.28 -0.09 -0.04 2.98 2.85 1oc5A1 TYR 329 HD2 -0.28 0.05 -0.17 -0.04 7.15 6.71 1oc5A1 TYR 329 HE2 -0.24 0.05 -0.12 -0.04 6.85 6.50 1oc5A1 ASP 330 H -0.35 0.10 -0.10 -0.55 8.40 7.50 1oc5A1 ASP 330 HA 0.10 0.15 0.60 -0.75 4.63 4.72 1oc5A1 ASP 330 HB2 -0.05 0.11 -0.23 -0.04 2.71 2.50 1oc5A1 ASP 330 HB3 0.01 0.11 -0.20 -0.04 2.70 2.58 1oc5A1 GLU 331 H 0.09 0.82 0.29 -0.55 8.60 9.26 1oc5A1 GLU 331 HA 0.22 -0.06 0.44 -0.75 4.29 4.13 1oc5A1 GLU 331 HB2 0.41 0.11 0.18 -0.04 2.09 2.75 1oc5A1 GLU 331 HB3 0.34 -0.02 0.03 -0.04 1.99 2.30 1oc5A1 GLU 331 HG2 0.25 0.11 -0.03 -0.04 2.34 2.64 1oc5A1 GLU 331 HG3 0.28 0.11 -0.09 -0.04 2.34 2.60 1oc5A1 LYS 332 H -0.50 0.65 0.05 -0.55 8.42 8.07 1oc5A1 LYS 332 HA -0.68 0.05 0.42 -0.75 4.32 3.35 1oc5A1 LYS 332 HB2 -2.49 0.00 0.02 -0.04 1.87 -0.64 1oc5A1 LYS 332 HB3 -0.79 0.00 0.12 -0.04 1.79 1.07 1oc5A1 LYS 332 HG2 -0.45 0.00 -0.23 -0.04 1.46 0.74 1oc5A1 LYS 332 HG3 -0.54 0.00 -0.01 -0.04 1.46 0.86 1oc5A1 LYS 332 HD2 -0.56 0.02 -0.07 -0.04 1.69 1.04 1oc5A1 LYS 332 HD3 -0.45 0.00 -0.06 -0.04 1.68 1.13 1oc5A1 LYS 332 HE2 0.13 0.00 -0.04 -0.04 2.99 3.04 1oc5A1 LYS 332 HE3 -0.01 0.00 -0.05 -0.04 2.99 2.89 1oc5A1 HIS 333 H -0.14 0.09 -0.22 -0.55 8.41 7.59 1oc5A1 HIS 333 HA -0.17 0.10 0.39 -0.75 4.63 4.19 1oc5A1 HIS 333 HB2 -0.33 -0.13 0.12 -0.04 3.26 2.88 1oc5A1 HIS 333 HB3 -0.18 0.06 -0.03 -0.04 3.20 3.01 1oc5A1 HIS 333 HD2 -0.13 0.02 0.02 -0.04 6.97 6.84 1oc5A1 HIS 333 HE1 -0.22 0.08 -0.00 -0.04 7.75 7.56 1oc5A1 TYR 334 H 0.08 0.40 -0.17 -0.55 8.29 8.05 1oc5A1 TYR 334 HA -0.08 0.08 0.47 -0.75 4.56 4.28 1oc5A1 TYR 334 HB2 -0.08 -0.00 0.09 -0.04 3.06 3.03 1oc5A1 TYR 334 HB3 -0.06 0.07 0.16 -0.04 2.98 3.10 1oc5A1 TYR 334 HD2 -0.11 -0.01 -0.04 -0.04 7.15 6.95 1oc5A1 TYR 334 HE2 -0.49 0.07 -0.26 -0.04 6.85 6.12 1oc5A1 ILE 335 H -0.13 0.69 -0.07 -0.55 8.25 8.19 1oc5A1 ILE 335 HA -0.63 0.00 0.36 -0.75 4.18 3.16 1oc5A1 ILE 335 HB -0.22 0.08 0.12 -0.04 1.89 1.84 1oc5A1 ILE 335 HG12 -1.78 0.01 -0.06 -0.04 1.49 -0.38 1oc5A1 ILE 335 HG13 -0.53 -0.08 -0.02 -0.04 1.21 0.54 1oc5A1 ILE 335 HG23 -0.56 0.00 -0.16 -0.04 0.93 0.17 1oc5A1 ILE 335 HD13 -0.06 -0.01 -0.14 -0.04 0.88 0.62 1oc5A1 GLU 336 H -0.09 0.57 -0.13 -0.55 8.60 8.40 1oc5A1 GLU 336 HA 0.18 0.01 0.42 -0.75 4.29 4.15 1oc5A1 GLU 336 HB2 -0.06 0.08 0.12 -0.04 2.09 2.19 1oc5A1 GLU 336 HB3 0.04 -0.03 0.02 -0.04 1.99 1.98 1oc5A1 GLU 336 HG2 0.24 -0.05 0.02 -0.04 2.34 2.51 1oc5A1 GLU 336 HG3 0.01 0.06 0.08 -0.04 2.34 2.45 1oc5A1 ALA 337 H 0.02 0.46 -0.25 -0.55 8.40 8.09 1oc5A1 ALA 337 HA 0.06 0.08 0.74 -0.75 4.34 4.46 1oc5A1 ALA 337 HB3 0.08 -0.00 0.08 -0.04 1.41 1.52 1oc5A1 PHE 338 H 0.08 0.43 -0.10 -0.55 8.34 8.19 1oc5A1 PHE 338 HA -0.00 0.02 0.48 -0.75 4.62 4.36 1oc5A1 PHE 338 HB2 -0.27 0.12 0.06 -0.04 3.15 3.02 1oc5A1 PHE 338 HB3 -0.36 0.03 0.10 -0.04 3.06 2.78 1oc5A1 PHE 338 HD2 -0.24 -0.01 -0.03 -0.04 7.28 6.96 1oc5A1 PHE 338 HE2 0.01 -0.03 -0.13 -0.04 7.38 7.19 1oc5A1 PHE 338 HZ 0.05 -0.03 -0.17 -0.04 7.32 7.14 1oc5A1 ARG 339 H -0.07 0.61 -0.00 -0.55 8.46 8.45 1oc5A1 ARG 339 HA -0.26 0.01 0.18 -0.75 4.34 3.51 1oc5A1 ARG 339 HB2 -0.20 0.04 0.09 -0.04 1.90 1.80 1oc5A1 ARG 339 HB3 -0.36 0.11 0.14 -0.04 1.80 1.65 1oc5A1 ARG 339 HG2 -1.60 -0.03 -0.07 -0.04 1.67 -0.07 1oc5A1 ARG 339 HG3 -0.41 -0.04 -0.45 -0.04 1.67 0.72 1oc5A1 ARG 339 HD2 -0.33 -0.14 0.06 -0.04 3.22 2.77 1oc5A1 ARG 339 HD3 -0.38 0.37 -0.03 -0.04 3.22 3.13 1oc5A1 PRO 340 HA -0.05 0.03 0.42 -0.51 4.44 4.34 1oc5A1 PRO 340 HB2 0.03 0.01 -0.05 -0.04 2.28 2.23 1oc5A1 PRO 340 HB3 0.03 -0.01 0.08 -0.04 2.02 2.08 1oc5A1 PRO 340 HG2 0.05 0.14 0.01 -0.04 2.03 2.19 1oc5A1 PRO 340 HG3 0.05 0.06 0.08 -0.04 2.03 2.19 1oc5A1 PRO 340 HD2 0.00 -0.02 -0.66 -0.04 3.68 2.96 1oc5A1 PRO 340 HD3 -0.02 0.11 0.05 -0.04 3.65 3.76 1oc5A1 LEU 341 H 0.03 0.32 -0.37 -0.55 8.37 7.80 1oc5A1 LEU 341 HA 0.04 0.02 0.44 -0.75 4.35 4.10 1oc5A1 LEU 341 HB2 0.16 0.15 0.15 -0.04 1.64 2.06 1oc5A1 LEU 341 HB3 0.12 -0.07 0.02 -0.04 1.64 1.67 1oc5A1 LEU 341 HG 0.10 0.16 0.08 -0.04 1.64 1.93 1oc5A1 LEU 341 HD13 0.16 -0.03 -0.10 -0.04 0.93 0.92 1oc5A1 LEU 341 HD23 0.07 -0.03 -0.01 -0.04 0.89 0.89 1oc5A1 LEU 342 H -0.12 0.56 -0.00 -0.55 8.37 8.25 1oc5A1 LEU 342 HA -0.04 0.03 0.54 -0.75 4.35 4.13 1oc5A1 LEU 342 HB2 -0.38 0.08 0.19 -0.04 1.64 1.49 1oc5A1 LEU 342 HB3 -0.40 0.15 0.09 -0.04 1.64 1.44 1oc5A1 LEU 342 HG -0.59 -0.00 0.05 -0.04 1.64 1.06 1oc5A1 LEU 342 HD13 -1.36 -0.03 -0.15 -0.04 0.93 -0.65 1oc5A1 LEU 342 HD23 -0.26 0.01 0.02 -0.04 0.89 0.61 1oc5A1 GLU 343 H -0.11 0.67 -0.13 -0.55 8.60 8.48 1oc5A1 GLU 343 HA -0.03 -0.04 0.01 -0.75 4.29 3.48 1oc5A1 GLU 343 HB2 -0.13 0.03 0.03 -0.04 2.09 1.98 1oc5A1 GLU 343 HB3 -0.06 0.04 0.10 -0.04 1.99 2.03 1oc5A1 GLU 343 HG2 -0.01 -0.01 -0.18 -0.04 2.34 2.11 1oc5A1 GLU 343 HG3 -0.01 -0.03 -0.04 -0.04 2.34 2.22 1oc5A1 ALA 344 H -0.00 0.55 -0.18 -0.55 8.40 8.22 1oc5A1 ALA 344 HA 0.02 0.01 0.34 -0.75 4.34 3.95 1oc5A1 ALA 344 HB3 0.03 0.01 0.09 -0.04 1.41 1.49 1oc5A1 ARG 345 H 0.04 0.27 -0.80 -0.55 8.46 7.42 1oc5A1 ARG 345 HA 0.05 0.10 0.72 -0.75 4.34 4.46 1oc5A1 ARG 345 HB2 0.07 0.11 0.12 -0.04 1.90 2.17 1oc5A1 ARG 345 HB3 0.08 -0.08 0.15 -0.04 1.80 1.91 1oc5A1 ARG 345 HG2 0.05 -0.05 -0.06 -0.04 1.67 1.57 1oc5A1 ARG 345 HG3 0.05 -0.02 -0.21 -0.04 1.67 1.45 1oc5A1 ARG 345 HD2 0.08 0.08 -0.17 -0.04 3.22 3.17 1oc5A1 ARG 345 HD3 0.07 -0.08 -0.12 -0.04 3.22 3.06 1oc5A1 GLY 346 H 0.06 0.45 -0.33 -0.55 8.43 8.06 1oc5A1 GLY 346 HA2 0.08 0.00 0.25 -0.51 4.01 3.83 1oc5A1 GLY 346 HA3 0.10 0.09 0.57 -0.51 4.01 4.26 1oc5A1 PHE 347 H 0.15 0.51 -0.12 -0.55 8.34 8.33 1oc5A1 PHE 347 HA -0.10 0.24 0.76 -0.75 4.62 4.76 1oc5A1 PHE 347 HB2 0.02 0.04 -0.16 -0.04 3.15 3.01 1oc5A1 PHE 347 HB3 -0.14 -0.03 0.05 -0.04 3.06 2.91 1oc5A1 PHE 347 HD2 -0.47 0.04 -0.27 -0.04 7.28 6.54 1oc5A1 PHE 347 HE2 -0.42 0.02 -0.22 -0.04 7.38 6.72 1oc5A1 PHE 347 HZ -0.36 0.03 -0.10 -0.04 7.32 6.85 1oc5A1 PRO 348 HA -0.18 0.05 0.48 -0.51 4.44 4.28 1oc5A1 PRO 348 HB2 -0.04 0.02 0.16 -0.04 2.28 2.37 1oc5A1 PRO 348 HB3 -0.02 -0.02 0.05 -0.04 2.02 1.99 1oc5A1 PRO 348 HG2 0.03 0.06 0.05 -0.04 2.03 2.13 1oc5A1 PRO 348 HG3 0.05 0.02 0.02 -0.04 2.03 2.08 1oc5A1 PRO 348 HD2 0.19 0.17 0.10 -0.04 3.68 4.11 1oc5A1 PRO 348 HD3 0.12 0.16 -0.22 -0.04 3.65 3.66 1oc5A1 ALA 349 H -0.68 0.41 -0.09 -0.55 8.40 7.50 1oc5A1 ALA 349 HA -0.57 0.15 0.24 -0.75 4.34 3.41 1oc5A1 ALA 349 HB3 -1.46 -0.05 0.01 -0.04 1.41 -0.13 1oc5A1 GLN 350 H -0.24 0.59 0.44 -0.55 8.47 8.72 1oc5A1 GLN 350 HA 0.04 0.21 0.91 -0.75 4.36 4.77 1oc5A1 GLN 350 HB2 0.03 0.11 0.07 -0.04 2.15 2.32 1oc5A1 GLN 350 HB3 0.11 -0.15 0.01 -0.04 2.02 1.95 1oc5A1 GLN 350 HG2 -0.00 0.14 0.06 -0.04 2.40 2.55 1oc5A1 GLN 350 HG3 0.06 -0.04 0.02 -0.04 2.39 2.39 1oc5A1 GLN 350 HE21 0.14 0.25 -0.13 -0.04 6.97 7.18 1oc5A1 GLN 350 HE22 0.10 -0.10 -0.18 -0.04 7.69 7.47 1oc5A1 PHE 351 H 0.21 0.45 0.39 -0.55 8.34 8.84 1oc5A1 PHE 351 HA -0.01 0.36 1.06 -0.75 4.62 5.28 1oc5A1 PHE 351 HB2 -0.07 0.02 0.06 -0.04 3.15 3.12 1oc5A1 PHE 351 HB3 -0.07 -0.05 -0.08 -0.04 3.06 2.81 1oc5A1 PHE 351 HD2 -0.09 0.09 -0.11 -0.04 7.28 7.13 1oc5A1 PHE 351 HE2 -0.25 0.03 -0.11 -0.04 7.38 7.01 1oc5A1 PHE 351 HZ -0.62 -0.02 -0.14 -0.04 7.32 6.50 1oc5A1 ILE 352 H -0.08 0.54 0.40 -0.55 8.25 8.55 1oc5A1 ILE 352 HA -0.29 0.32 0.74 -0.75 4.18 4.20 1oc5A1 ILE 352 HB -0.29 -0.00 -0.05 -0.04 1.89 1.50 1oc5A1 ILE 352 HG12 -0.64 0.08 -0.08 -0.04 1.49 0.80 1oc5A1 ILE 352 HG13 -0.24 -0.18 -0.08 -0.04 1.21 0.68 1oc5A1 ILE 352 HG23 -0.69 0.01 -0.17 -0.04 0.93 0.04 1oc5A1 ILE 352 HD13 -0.26 0.01 -0.21 -0.04 0.88 0.37 1oc5A1 VAL 353 H -0.10 0.52 0.22 -0.55 8.24 8.33 1oc5A1 VAL 353 HA 0.09 0.14 1.06 -0.75 4.13 4.67 1oc5A1 VAL 353 HB 0.27 0.02 0.09 -0.04 2.12 2.46 1oc5A1 VAL 353 HG13 0.31 0.02 -0.19 -0.04 0.97 1.07 1oc5A1 VAL 353 HG23 0.13 -0.01 -0.23 -0.04 0.95 0.81 1oc5A1 ASP 354 H 0.08 0.52 0.19 -0.55 8.40 8.64 1oc5A1 ASP 354 HA 0.13 0.11 0.55 -0.75 4.63 4.66 1oc5A1 ASP 354 HB2 0.02 -0.04 -0.07 -0.04 2.71 2.58 1oc5A1 ASP 354 HB3 0.05 0.24 -0.08 -0.04 2.70 2.86 1oc5A1 GLN 355 H 0.21 0.70 0.46 -0.55 8.47 9.29 1oc5A1 GLN 355 HA 0.07 0.21 0.72 -0.75 4.36 4.60 1oc5A1 GLN 355 HB2 0.21 0.19 0.02 -0.04 2.15 2.54 1oc5A1 GLN 355 HB3 0.10 -0.12 0.19 -0.04 2.02 2.14 1oc5A1 GLN 355 HG2 0.14 0.02 -0.47 -0.04 2.40 2.05 1oc5A1 GLN 355 HG3 -0.18 -0.00 -0.03 -0.04 2.39 2.13 1oc5A1 GLN 355 HE21 0.19 0.20 -0.07 -0.04 6.97 7.24 1oc5A1 GLN 355 HE22 0.18 0.26 -0.06 -0.04 7.69 8.03 1oc5A1 GLY 356 H -0.09 -0.04 0.20 -0.55 8.43 7.95 1oc5A1 GLY 356 HA2 -2.11 0.16 0.34 -0.51 4.01 1.89 1oc5A1 GLY 356 HA3 -0.60 0.03 0.37 -0.51 4.01 3.30 1oc5A1 ARG 357 H -0.14 0.09 -0.35 -0.55 8.46 7.50 1oc5A1 ARG 357 HA -0.15 0.24 0.55 -0.75 4.34 4.23 1oc5A1 ARG 357 HB2 -0.05 0.06 -0.05 -0.04 1.90 1.81 1oc5A1 ARG 357 HB3 0.19 -0.01 0.04 -0.04 1.80 1.99 1oc5A1 ARG 357 HG2 -0.14 0.10 -0.17 -0.04 1.67 1.41 1oc5A1 ARG 357 HG3 -0.12 -0.09 -0.42 -0.04 1.67 0.99 1oc5A1 ARG 357 HD2 0.27 0.02 -0.12 -0.04 3.22 3.34 1oc5A1 ARG 357 HD3 0.02 -0.08 -0.16 -0.04 3.22 2.96 1oc5A1 SER 358 H -0.04 0.37 -0.14 -0.55 8.46 8.11 1oc5A1 SER 358 HA 0.10 0.30 0.77 -0.75 4.49 4.90 1oc5A1 SER 358 HB2 0.06 -0.03 0.10 -0.04 3.95 4.03 1oc5A1 SER 358 HB3 0.09 -0.04 0.06 -0.04 3.93 4.01 1oc5A1 GLY 359 H 0.02 0.53 -0.32 -0.55 8.43 8.11 1oc5A1 GLY 359 HA2 0.06 -0.01 0.35 -0.51 4.01 3.91 1oc5A1 GLY 359 HA3 0.06 0.30 0.12 -0.51 4.01 3.98 1oc5A1 LYS 360 H 0.00 -0.09 -0.23 -0.55 8.42 7.55 1oc5A1 LYS 360 HA 0.00 0.16 0.85 -0.75 4.32 4.58 1oc5A1 LYS 360 HB2 -0.03 0.12 -0.12 -0.04 1.87 1.80 1oc5A1 LYS 360 HB3 -0.04 -0.14 -0.01 -0.04 1.79 1.56 1oc5A1 LYS 360 HG2 -0.02 0.22 -0.32 -0.04 1.46 1.29 1oc5A1 LYS 360 HG3 -0.02 -0.04 -0.08 -0.04 1.46 1.28 1oc5A1 LYS 360 HD2 -0.05 -0.04 -0.15 -0.04 1.69 1.41 1oc5A1 LYS 360 HD3 -0.07 -0.05 -0.39 -0.04 1.68 1.13 1oc5A1 LYS 360 HE2 -0.04 -0.02 -0.09 -0.04 2.99 2.79 1oc5A1 LYS 360 HE3 -0.06 -0.16 -0.09 -0.04 2.99 2.65 1oc5A1 GLN 361 H 0.00 0.27 0.13 -0.55 8.47 8.33 1oc5A1 GLN 361 HA 0.03 0.01 0.71 -0.75 4.36 4.36 1oc5A1 GLN 361 HB2 0.01 -0.00 0.07 -0.04 2.15 2.19 1oc5A1 GLN 361 HB3 0.01 -0.08 0.03 -0.04 2.02 1.93 1oc5A1 GLN 361 HG2 0.05 0.19 -0.52 -0.04 2.40 2.08 1oc5A1 GLN 361 HG3 0.05 -0.17 -0.06 -0.04 2.39 2.17 1oc5A1 GLN 361 HE21 0.13 0.38 0.02 -0.04 6.97 7.46 1oc5A1 GLN 361 HE22 0.09 0.37 -0.12 -0.04 7.69 7.99 1oc5A1 PRO 362 HA 0.04 -0.01 0.43 -0.51 4.44 4.40 1oc5A1 PRO 362 HB2 0.11 0.15 0.08 -0.04 2.28 2.57 1oc5A1 PRO 362 HB3 -0.14 -0.09 0.19 -0.04 2.02 1.94 1oc5A1 PRO 362 HG2 -0.02 0.10 0.04 -0.04 2.03 2.12 1oc5A1 PRO 362 HG3 -0.09 -0.02 0.11 -0.04 2.03 1.99 1oc5A1 PRO 362 HD2 -0.03 0.12 0.33 -0.04 3.68 4.06 1oc5A1 PRO 362 HD3 -0.06 0.05 0.21 -0.04 3.65 3.81 1oc5A1 THR 363 H 0.20 -0.06 0.13 -0.55 8.28 8.01 1oc5A1 THR 363 HA -0.04 0.48 0.67 -0.75 4.39 4.75 1oc5A1 THR 363 HB -0.20 0.02 0.10 -0.04 4.32 4.20 1oc5A1 THR 363 HG23 0.03 0.01 0.10 -0.04 1.22 1.31 1oc5A1 GLY 364 H -0.15 0.41 0.14 -0.55 8.43 8.28 1oc5A1 GLY 364 HA2 -0.06 0.12 0.54 -0.51 4.01 4.09 1oc5A1 GLY 364 HA3 -0.10 -0.03 0.07 -0.51 4.01 3.44 1oc5A1 GLN 365 H -0.28 0.01 -0.35 -0.55 8.47 7.31 1oc5A1 GLN 365 HA -0.15 0.02 0.41 -0.75 4.36 3.88 1oc5A1 GLN 365 HB2 -0.88 -0.07 -0.04 -0.04 2.15 1.12 1oc5A1 GLN 365 HB3 -0.36 0.15 -0.04 -0.04 2.02 1.72 1oc5A1 GLN 365 HG2 -0.20 0.15 0.06 -0.04 2.40 2.37 1oc5A1 GLN 365 HG3 -0.39 -0.03 -0.01 -0.04 2.39 1.92 1oc5A1 GLN 365 HE21 0.34 -0.16 0.02 -0.04 6.97 7.13 1oc5A1 GLN 365 HE22 0.15 0.41 0.03 -0.04 7.69 8.23 1oc5A1 LYS 366 H 0.01 0.05 0.20 -0.55 8.42 8.12 1oc5A1 LYS 366 HA 0.00 0.20 0.68 -0.75 4.32 4.45 1oc5A1 LYS 366 HB2 0.11 -0.11 0.10 -0.04 1.87 1.93 1oc5A1 LYS 366 HB3 0.03 0.00 0.04 -0.04 1.79 1.83 1oc5A1 LYS 366 HG2 0.02 0.11 0.00 -0.04 1.46 1.55 1oc5A1 LYS 366 HG3 0.04 -0.06 -0.00 -0.04 1.46 1.40 1oc5A1 LYS 366 HD2 0.02 0.04 0.01 -0.04 1.69 1.71 1oc5A1 LYS 366 HD3 0.00 0.07 -0.07 -0.04 1.68 1.64 1oc5A1 LYS 366 HE2 0.02 -0.04 0.01 -0.04 2.99 2.94 1oc5A1 LYS 366 HE3 0.01 0.01 -0.01 -0.04 2.99 2.97 1oc5A1 GLU 367 H -0.37 0.10 0.05 -0.55 8.60 7.83 1oc5A1 GLU 367 HA -0.03 0.27 0.62 -0.75 4.29 4.40 1oc5A1 GLU 367 HB2 -1.20 -0.09 0.01 -0.04 2.09 0.76 1oc5A1 GLU 367 HB3 -0.14 -0.02 0.11 -0.04 1.99 1.90 1oc5A1 GLU 367 HG2 -0.22 -0.09 -0.37 -0.04 2.34 1.63 1oc5A1 GLU 367 HG3 -0.09 -0.01 -0.05 -0.04 2.34 2.15 1oc5A1 TRP 368 H 0.32 0.33 0.12 -0.55 7.97 8.20 1oc5A1 TRP 368 HA -0.04 0.08 0.35 -0.75 4.62 4.26 1oc5A1 TRP 368 HB2 0.29 0.31 0.11 -0.04 3.23 3.91 1oc5A1 TRP 368 HB3 0.27 0.01 0.02 -0.04 3.23 3.49 1oc5A1 TRP 368 HD1 0.16 0.01 0.07 -0.04 7.22 7.42 1oc5A1 TRP 368 HE1 0.22 -0.10 -0.03 -0.04 10.20 10.25 1oc5A1 TRP 368 HE3 0.37 0.14 0.06 -0.04 7.59 8.12 1oc5A1 TRP 368 HZ2 0.07 -0.10 -0.15 -0.04 7.44 7.22 1oc5A1 TRP 368 HZ3 -0.62 0.12 -0.00 -0.04 7.13 6.58 1oc5A1 TRP 368 HH2 -0.28 0.27 -0.15 -0.04 7.19 6.99 1oc5A1 GLY 369 H 0.21 0.08 -0.22 -0.55 8.43 7.95 1oc5A1 GLY 369 HA2 0.21 0.08 0.29 -0.51 4.01 4.08 1oc5A1 GLY 369 HA3 0.19 0.03 0.24 -0.51 4.01 3.95 1oc5A1 HIS 370 H 0.14 0.40 -0.65 -0.55 8.41 7.75 1oc5A1 HIS 370 HA -0.12 -0.00 0.59 -0.75 4.63 4.35 1oc5A1 HIS 370 HB2 -0.05 0.15 0.19 -0.04 3.26 3.51 1oc5A1 HIS 370 HB3 -0.11 0.05 0.01 -0.04 3.20 3.11 1oc5A1 HIS 370 HD2 0.09 0.01 -0.35 -0.04 6.97 6.68 1oc5A1 HIS 370 HE1 0.00 0.05 -0.03 -0.04 7.75 7.72 1oc5A1 TRP 371 H -0.65 0.14 0.13 -0.55 7.97 7.05 1oc5A1 TRP 371 HA 0.25 0.21 0.55 -0.75 4.62 4.87 1oc5A1 TRP 371 HB2 -0.03 0.04 0.02 -0.04 3.23 3.22 1oc5A1 TRP 371 HB3 -0.02 -0.00 -0.08 -0.04 3.23 3.08 1oc5A1 TRP 371 HD1 -0.27 0.21 0.05 -0.04 7.22 7.17 1oc5A1 TRP 371 HE1 -1.15 -0.03 0.04 -0.04 10.20 9.02 1oc5A1 TRP 371 HE3 -0.07 0.01 -0.37 -0.04 7.59 7.13 1oc5A1 TRP 371 HZ2 -0.27 -0.09 0.03 -0.04 7.44 7.07 1oc5A1 TRP 371 HZ3 -0.09 0.13 -0.06 -0.04 7.13 7.07 1oc5A1 TRP 371 HH2 -0.11 0.04 0.01 -0.04 7.19 7.08 1oc5A1 CYS 372 H -0.67 0.06 -0.14 -0.55 8.50 7.20 1oc5A1 CYS 372 HA 0.02 0.10 0.56 -0.75 4.58 4.51 1oc5A1 CYS 372 HB2 -1.93 -0.08 -0.15 -0.04 2.97 0.76 1oc5A1 CYS 372 HB3 -0.68 0.15 -0.31 -0.04 2.97 2.08 1oc5A1 ASN 373 H 0.03 0.16 0.18 -0.55 8.53 8.35 1oc5A1 ASN 373 HA -0.37 0.03 0.32 -0.75 4.76 3.98 1oc5A1 ASN 373 HB2 0.00 0.17 -0.17 -0.04 2.88 2.84 1oc5A1 ASN 373 HB3 0.06 -0.00 0.16 -0.04 2.79 2.97 1oc5A1 ASN 373 HD21 -0.03 0.07 0.06 -0.04 7.03 7.09 1oc5A1 ASN 373 HD22 0.01 0.18 -0.07 -0.04 7.74 7.81 1oc5A1 ALA 374 H 0.06 0.05 -0.29 -0.55 8.40 7.67 1oc5A1 ALA 374 HA -0.11 0.28 0.30 -0.75 4.34 4.07 1oc5A1 ALA 374 HB3 -0.64 -0.00 -0.08 -0.04 1.41 0.64 1oc5A1 ILE 375 H -0.09 0.54 0.21 -0.55 8.25 8.36 1oc5A1 ILE 375 HA -0.14 0.05 0.55 -0.75 4.18 3.89 1oc5A1 ILE 375 HB -0.09 -0.06 0.09 -0.04 1.89 1.78 1oc5A1 ILE 375 HG12 -0.08 0.10 0.09 -0.04 1.49 1.56 1oc5A1 ILE 375 HG13 -0.09 -0.05 -0.17 -0.04 1.21 0.86 1oc5A1 ILE 375 HG23 -0.04 0.03 -0.18 -0.04 0.93 0.71 1oc5A1 ILE 375 HD13 -0.04 0.02 -0.00 -0.04 0.88 0.81 1oc5A1 GLY 376 H -0.17 0.14 0.14 -0.55 8.43 8.00 1oc5A1 GLY 376 HA2 -0.12 0.07 0.28 -0.51 4.01 3.73 1oc5A1 GLY 376 HA3 -0.11 0.02 0.29 -0.51 4.01 3.71 1oc5A1 THR 377 H -0.23 0.08 -0.15 -0.55 8.28 7.43 1oc5A1 THR 377 HA -0.09 0.26 0.88 -0.75 4.39 4.68 1oc5A1 THR 377 HB 0.02 0.16 0.05 -0.04 4.32 4.51 1oc5A1 THR 377 HG23 -0.38 0.00 -0.28 -0.04 1.22 0.52 1oc5A1 GLY 378 H -0.06 0.18 0.01 -0.55 8.43 8.01 1oc5A1 GLY 378 HA2 -0.23 0.13 0.76 -0.51 4.01 4.16 1oc5A1 GLY 378 HA3 -0.07 0.30 -0.09 -0.51 4.01 3.64 1oc5A1 PHE 379 H -0.16 0.44 0.13 -0.55 8.34 8.19 1oc5A1 PHE 379 HA -0.28 0.26 0.56 -0.75 4.62 4.41 1oc5A1 PHE 379 HB2 0.29 0.00 0.10 -0.04 3.15 3.50 1oc5A1 PHE 379 HB3 0.44 0.11 -0.01 -0.04 3.06 3.56 1oc5A1 PHE 379 HD2 -0.39 0.14 -0.01 -0.04 7.28 6.98 1oc5A1 PHE 379 HE2 -0.23 -0.07 -0.01 -0.04 7.38 7.03 1oc5A1 PHE 379 HZ 0.37 0.04 -0.06 -0.04 7.32 7.62 1oc5A1 GLY 380 H -0.07 0.12 0.10 -0.55 8.43 8.03 1oc5A1 GLY 380 HA2 0.14 0.35 0.83 -0.51 4.01 4.81 1oc5A1 GLY 380 HA3 0.11 -0.02 0.38 -0.51 4.01 3.96 1oc5A1 MET 381 H 0.12 0.01 0.14 -0.55 8.47 8.19 1oc5A1 MET 381 HA 0.10 0.06 0.42 -0.75 4.52 4.35 1oc5A1 MET 381 HB2 -0.05 0.00 0.05 -0.04 2.15 2.11 1oc5A1 MET 381 HB3 -0.04 0.00 0.15 -0.04 2.03 2.10 1oc5A1 MET 381 HG2 -0.06 0.00 0.09 -0.04 2.63 2.62 1oc5A1 MET 381 HG3 -0.02 0.04 -0.20 -0.04 2.56 2.34 1oc5A1 MET 381 HE3 -0.22 -0.02 0.05 -0.04 2.10 1.87 1oc5A1 ARG 382 H 0.04 0.05 0.15 -0.55 8.46 8.14 1oc5A1 ARG 382 HA -0.23 0.09 0.28 -0.75 4.34 3.73 1oc5A1 ARG 382 HB2 -0.08 0.00 0.04 -0.04 1.90 1.82 1oc5A1 ARG 382 HB3 -0.20 0.00 0.08 -0.04 1.80 1.63 1oc5A1 ARG 382 HG2 -0.05 0.00 0.10 -0.04 1.67 1.68 1oc5A1 ARG 382 HG3 -0.12 0.00 0.02 -0.04 1.67 1.53 1oc5A1 ARG 382 HD2 -0.19 0.00 -0.02 -0.04 3.22 2.96 1oc5A1 ARG 382 HD3 0.10 0.00 -0.11 -0.04 3.22 3.17 1oc5A1 PRO 383 HA 0.02 0.21 0.36 -0.51 4.44 4.52 1oc5A1 PRO 383 HB2 -0.09 0.02 0.10 -0.04 2.28 2.27 1oc5A1 PRO 383 HB3 0.01 -0.03 0.17 -0.04 2.02 2.13 1oc5A1 PRO 383 HG2 -0.38 0.20 0.04 -0.04 2.03 1.85 1oc5A1 PRO 383 HG3 -0.31 -0.21 -0.01 -0.04 2.03 1.46 1oc5A1 PRO 383 HD2 -0.54 0.10 0.17 -0.04 3.68 3.38 1oc5A1 PRO 383 HD3 -1.28 0.13 0.09 -0.04 3.65 2.54 1oc5A1 THR 384 H -0.02 0.47 0.34 -0.55 8.28 8.53 1oc5A1 THR 384 HA -0.01 0.10 0.52 -0.75 4.39 4.26 1oc5A1 THR 384 HB 0.00 0.23 -0.14 -0.04 4.32 4.37 1oc5A1 THR 384 HG23 0.09 0.01 -0.17 -0.04 1.22 1.10 1oc5A1 ALA 385 H -0.00 0.22 0.17 -0.55 8.40 8.24 1oc5A1 ALA 385 HA -0.16 0.28 0.90 -0.75 4.34 4.60 1oc5A1 ALA 385 HB3 0.06 0.03 0.03 -0.04 1.41 1.49 1oc5A1 ASN 386 H -0.02 0.06 -0.16 -0.55 8.53 7.86 1oc5A1 ASN 386 HA -0.03 0.12 0.59 -0.75 4.76 4.68 1oc5A1 ASN 386 HB2 0.00 0.03 0.17 -0.04 2.88 3.04 1oc5A1 ASN 386 HB3 0.00 0.00 0.10 -0.04 2.79 2.86 1oc5A1 ASN 386 HD21 0.00 0.04 0.03 -0.04 7.03 7.06 1oc5A1 ASN 386 HD22 0.00 0.03 0.06 -0.04 7.74 7.79 1oc5A1 THR 387 H -0.13 0.50 0.01 -0.55 8.28 8.11 1oc5A1 THR 387 HA -0.01 0.12 0.31 -0.75 4.39 4.06 1oc5A1 THR 387 HB -0.85 -0.09 -0.05 -0.04 4.32 3.30 1oc5A1 THR 387 HG23 -0.73 0.02 -0.37 -0.04 1.22 0.10 1oc5A1 GLY 388 H -0.03 0.11 -0.11 -0.55 8.43 7.85 1oc5A1 GLY 388 HA2 0.01 0.01 0.25 -0.51 4.01 3.77 1oc5A1 GLY 388 HA3 0.06 0.15 0.47 -0.51 4.01 4.18 1oc5A1 HIS 389 H -0.01 0.16 -0.34 -0.55 8.41 7.67 1oc5A1 HIS 389 HA 0.01 0.19 0.92 -0.75 4.63 5.00 1oc5A1 HIS 389 HB2 0.19 0.11 -0.14 -0.04 3.26 3.39 1oc5A1 HIS 389 HB3 -0.09 -0.03 0.00 -0.04 3.20 3.03 1oc5A1 HIS 389 HD2 0.33 0.05 -0.03 -0.04 6.97 7.27 1oc5A1 HIS 389 HE1 -0.14 0.09 -0.06 -0.04 7.75 7.59 1oc5A1 GLN 390 H -0.54 0.18 0.11 -0.55 8.47 7.67 1oc5A1 GLN 390 HA -0.07 0.12 0.29 -0.75 4.36 3.94 1oc5A1 GLN 390 HB2 -0.15 0.06 0.04 -0.04 2.15 2.06 1oc5A1 GLN 390 HB3 -0.24 0.01 0.09 -0.04 2.02 1.84 1oc5A1 GLN 390 HG2 -0.86 -0.11 0.07 -0.04 2.40 1.46 1oc5A1 GLN 390 HG3 -1.24 0.06 -0.19 -0.04 2.39 0.98 1oc5A1 GLN 390 HE21 -0.24 0.01 -0.01 -0.04 6.97 6.69 1oc5A1 GLN 390 HE22 -0.63 -0.03 -0.01 -0.04 7.69 6.99 1oc5A1 TYR 391 H 0.57 -0.02 -0.34 -0.55 8.29 7.95 1oc5A1 TYR 391 HA 0.12 0.31 0.90 -0.75 4.56 5.14 1oc5A1 TYR 391 HB2 0.21 -0.08 -0.07 -0.04 3.06 3.08 1oc5A1 TYR 391 HB3 0.22 0.08 0.13 -0.04 2.98 3.36 1oc5A1 TYR 391 HD2 0.12 0.07 -0.19 -0.04 7.15 7.11 1oc5A1 TYR 391 HE2 0.04 0.04 -0.05 -0.04 6.85 6.84 1oc5A1 VAL 392 H 0.15 0.44 -0.32 -0.55 8.24 7.96 1oc5A1 VAL 392 HA -0.00 0.15 0.99 -0.75 4.13 4.52 1oc5A1 VAL 392 HB -0.45 -0.02 0.05 -0.04 2.12 1.65 1oc5A1 VAL 392 HG13 -0.74 -0.03 -0.23 -0.04 0.97 -0.07 1oc5A1 VAL 392 HG23 -0.33 -0.03 -0.21 -0.04 0.95 0.34 1oc5A1 ASP 393 H -0.04 0.43 0.24 -0.55 8.40 8.49 1oc5A1 ASP 393 HA -0.03 0.09 0.54 -0.75 4.63 4.48 1oc5A1 ASP 393 HB2 0.04 0.06 -0.01 -0.04 2.71 2.76 1oc5A1 ASP 393 HB3 0.16 -0.07 -0.08 -0.04 2.70 2.66 1oc5A1 ALA 394 H -0.44 0.25 0.09 -0.55 8.40 7.76 1oc5A1 ALA 394 HA -0.51 0.20 0.41 -0.75 4.34 3.69 1oc5A1 ALA 394 HB3 -1.20 0.03 -0.12 -0.04 1.41 0.08 1oc5A1 PHE 395 H -0.31 0.39 0.17 -0.55 8.34 8.03 1oc5A1 PHE 395 HA -0.16 0.08 0.86 -0.75 4.62 4.64 1oc5A1 PHE 395 HB2 -0.12 0.07 0.10 -0.04 3.15 3.16 1oc5A1 PHE 395 HB3 -0.04 0.07 -0.02 -0.04 3.06 3.02 1oc5A1 PHE 395 HD2 -0.23 0.07 0.00 -0.04 7.28 7.08 1oc5A1 PHE 395 HE2 -0.82 0.05 -0.01 -0.04 7.38 6.56 1oc5A1 PHE 395 HZ -2.43 -0.02 -0.05 -0.04 7.32 4.78 1oc5A1 VAL 396 H 0.19 0.55 0.18 -0.55 8.24 8.60 1oc5A1 VAL 396 HA 0.19 0.26 0.83 -0.75 4.13 4.65 1oc5A1 VAL 396 HB 0.44 0.01 -0.18 -0.04 2.12 2.34 1oc5A1 VAL 396 HG13 0.08 0.03 -0.39 -0.04 0.97 0.65 1oc5A1 VAL 396 HG23 0.02 -0.05 -0.37 -0.04 0.95 0.50 1oc5A1 TRP 397 H 0.45 0.41 0.08 -0.55 7.97 8.35 1oc5A1 TRP 397 HA 0.14 -0.12 0.87 -0.75 4.62 4.76 1oc5A1 TRP 397 HB2 0.13 0.14 0.08 -0.04 3.23 3.55 1oc5A1 TRP 397 HB3 0.14 0.01 -0.02 -0.04 3.23 3.33 1oc5A1 TRP 397 HD1 0.11 -0.03 -0.67 -0.04 7.22 6.58 1oc5A1 TRP 397 HE1 0.10 0.52 -0.50 -0.04 10.20 10.27 1oc5A1 TRP 397 HE3 0.01 -0.06 -0.04 -0.04 7.59 7.46 1oc5A1 TRP 397 HZ2 0.21 0.30 -0.15 -0.04 7.44 7.76 1oc5A1 TRP 397 HZ3 -0.29 0.02 0.03 -0.04 7.13 6.85 1oc5A1 TRP 397 HH2 -0.19 0.00 -0.01 -0.04 7.19 6.95 1oc5A1 VAL 398 H 0.19 -0.00 -0.01 -0.55 8.24 7.87 1oc5A1 VAL 398 HA 0.19 0.16 0.63 -0.75 4.13 4.35 1oc5A1 VAL 398 HB 0.02 -0.19 0.11 -0.04 2.12 2.02 1oc5A1 VAL 398 HG13 -0.55 0.02 -0.16 -0.04 0.97 0.23 1oc5A1 VAL 398 HG23 -0.34 0.02 -0.20 -0.04 0.95 0.39 1oc5A1 LYS 399 H 0.21 -0.10 0.10 -0.55 8.42 8.07 1oc5A1 LYS 399 HA 0.27 0.19 0.57 -0.75 4.32 4.59 1oc5A1 LYS 399 HB2 0.14 0.00 0.10 -0.04 1.87 2.07 1oc5A1 LYS 399 HB3 0.03 0.00 0.17 -0.04 1.79 1.95 1oc5A1 LYS 399 HG2 -0.11 0.00 -0.04 -0.04 1.46 1.27 1oc5A1 LYS 399 HG3 -0.07 0.00 -0.38 -0.04 1.46 0.97 1oc5A1 LYS 399 HD2 -0.57 0.00 0.02 -0.04 1.69 1.10 1oc5A1 LYS 399 HD3 -0.36 -0.07 -0.02 -0.04 1.68 1.19 1oc5A1 LYS 399 HE2 -0.16 0.00 -0.09 -0.04 2.99 2.70 1oc5A1 LYS 399 HE3 -0.15 0.00 -0.07 -0.04 2.99 2.73 1oc5A1 PRO 400 HA 0.18 0.08 0.50 -0.51 4.44 4.69 1oc5A1 PRO 400 HB2 0.41 -0.04 0.02 -0.04 2.28 2.63 1oc5A1 PRO 400 HB3 0.00 0.08 0.05 -0.04 2.02 2.12 1oc5A1 PRO 400 HG2 0.21 -0.07 0.10 -0.04 2.03 2.23 1oc5A1 PRO 400 HG3 0.31 0.33 0.10 -0.04 2.03 2.73 1oc5A1 PRO 400 HD2 -0.17 0.01 0.18 -0.04 3.68 3.66 1oc5A1 PRO 400 HD3 0.10 0.19 0.30 -0.04 3.65 4.21 1oc5A1 GLY 401 H 0.24 0.18 0.12 -0.55 8.43 8.42 1oc5A1 GLY 401 HA2 0.08 0.00 0.33 -0.51 4.01 3.91 1oc5A1 GLY 401 HA3 0.19 0.11 0.25 -0.51 4.01 4.05 1oc5A1 GLY 402 H 0.00 0.16 0.01 -0.55 8.43 8.06 1oc5A1 GLY 402 HA2 -0.36 -0.04 0.26 -0.51 4.01 3.36 1oc5A1 GLY 402 HA3 -0.74 0.23 0.77 -0.51 4.01 3.76 1oc5A1 GLU 403 H 0.02 0.46 -0.22 -0.55 8.60 8.31 1oc5A1 GLU 403 HA 0.03 0.09 0.49 -0.75 4.29 4.15 1oc5A1 GLU 403 HB2 0.04 0.13 0.10 -0.04 2.09 2.32 1oc5A1 GLU 403 HB3 0.05 -0.03 -0.05 -0.04 1.99 1.91 1oc5A1 GLU 403 HG2 0.42 0.02 -0.14 -0.04 2.34 2.60 1oc5A1 GLU 403 HG3 0.50 -0.01 -0.19 -0.04 2.34 2.61 1oc5A1 CYS 404 H -0.00 0.70 0.10 -0.55 8.50 8.75 1oc5A1 CYS 404 HA -0.01 -0.00 0.28 -0.75 4.58 4.09 1oc5A1 CYS 404 HB2 -0.02 0.14 -0.02 -0.04 2.97 3.03 1oc5A1 CYS 404 HB3 -0.03 0.01 -0.10 -0.04 2.97 2.81 1oc5A1 ASN 405 H -0.04 0.15 0.17 -0.55 8.53 8.27 1oc5A1 ASN 405 HA 0.02 0.17 0.74 -0.75 4.76 4.93 1oc5A1 ASN 405 HB2 0.09 -0.05 0.11 -0.04 2.88 2.98 1oc5A1 ASN 405 HB3 0.41 0.00 0.12 -0.04 2.79 3.29 1oc5A1 ASN 405 HD21 -0.08 0.04 0.00 -0.04 7.03 6.95 1oc5A1 ASN 405 HD22 -0.05 -0.00 -0.01 -0.04 7.74 7.64 1oc5A1 GLY 406 H -0.01 0.17 -0.15 -0.55 8.43 7.90 1oc5A1 GLY 406 HA2 0.03 -0.13 0.27 -0.51 4.01 3.67 1oc5A1 GLY 406 HA3 0.06 0.13 0.52 -0.51 4.01 4.21 1oc5A1 THR 407 H 0.02 -0.02 0.05 -0.55 8.28 7.79 1oc5A1 THR 407 HA -0.07 0.35 0.18 -0.75 4.39 4.09 1oc5A1 THR 407 HB -0.01 -0.09 -0.24 -0.04 4.32 3.95 1oc5A1 THR 407 HG23 0.12 0.01 -0.11 -0.04 1.22 1.19 1oc5A1 SER 408 H -0.05 0.40 0.26 -0.55 8.46 8.52 1oc5A1 SER 408 HA 0.17 0.24 0.57 -0.75 4.49 4.71 1oc5A1 SER 408 HB2 0.01 0.06 0.17 -0.04 3.95 4.16 1oc5A1 SER 408 HB3 -0.01 0.23 0.13 -0.04 3.93 4.24 1oc5A1 ASP 409 H 0.00 0.05 -0.17 -0.55 8.40 7.73 1oc5A1 ASP 409 HA -0.12 0.11 0.53 -0.75 4.63 4.39 1oc5A1 ASP 409 HB2 -0.05 0.08 0.08 -0.04 2.71 2.77 1oc5A1 ASP 409 HB3 -0.03 -0.05 0.14 -0.04 2.70 2.72 1oc5A1 THR 410 H -0.32 0.25 0.19 -0.55 8.28 7.86 1oc5A1 THR 410 HA -1.96 0.09 0.13 -0.75 4.39 1.89 1oc5A1 THR 410 HB -0.42 0.02 0.07 -0.04 4.32 3.95 1oc5A1 THR 410 HG23 -0.33 0.03 0.04 -0.04 1.22 0.92 1oc5A1 THR 411 H -0.18 -0.03 -0.48 -0.55 8.28 7.04 1oc5A1 THR 411 HA -0.08 0.23 0.70 -0.75 4.39 4.49 1oc5A1 THR 411 HB -0.04 0.04 0.08 -0.04 4.32 4.35 1oc5A1 THR 411 HG23 -0.08 -0.00 -0.07 -0.04 1.22 1.03 1oc5A1 ALA 412 H -0.07 0.38 -0.26 -0.55 8.40 7.90 1oc5A1 ALA 412 HA 0.01 0.04 0.38 -0.75 4.34 4.01 1oc5A1 ALA 412 HB3 0.05 -0.01 0.03 -0.04 1.41 1.43 1oc5A1 ALA 413 H 0.03 0.09 0.14 -0.55 8.40 8.12 1oc5A1 ALA 413 HA 0.04 0.15 0.32 -0.75 4.34 4.09 1oc5A1 ALA 413 HB3 0.03 -0.00 0.08 -0.04 1.41 1.47 1oc5A1 ARG 414 H 0.06 -0.02 -0.29 -0.55 8.46 7.66 1oc5A1 ARG 414 HA 0.07 0.31 0.82 -0.75 4.34 4.78 1oc5A1 ARG 414 HB2 0.04 -0.09 0.01 -0.04 1.90 1.81 1oc5A1 ARG 414 HB3 0.04 -0.02 -0.01 -0.04 1.80 1.78 1oc5A1 ARG 414 HG2 0.04 0.12 -0.10 -0.04 1.67 1.69 1oc5A1 ARG 414 HG3 0.04 -0.13 -0.24 -0.04 1.67 1.29 1oc5A1 ARG 414 HD2 0.02 -0.09 -0.02 -0.04 3.22 3.08 1oc5A1 ARG 414 HD3 0.02 0.23 0.02 -0.04 3.22 3.45 1oc5A1 TYR 415 H 0.19 0.46 -0.51 -0.55 8.29 7.87 1oc5A1 TYR 415 HA 0.02 -0.05 0.31 -0.75 4.56 4.09 1oc5A1 TYR 415 HB2 0.01 0.01 -0.07 -0.04 3.06 2.96 1oc5A1 TYR 415 HB3 0.02 0.13 -0.07 -0.04 2.98 3.03 1oc5A1 TYR 415 HD2 0.01 0.04 -0.31 -0.04 7.15 6.84 1oc5A1 TYR 415 HE2 -0.00 0.02 -0.27 -0.04 6.85 6.56 1oc5A1 ASP 416 H -0.36 0.24 0.10 -0.55 8.40 7.83 1oc5A1 ASP 416 HA -0.18 0.17 0.75 -0.75 4.63 4.62 1oc5A1 ASP 416 HB2 0.04 0.15 -0.00 -0.04 2.71 2.86 1oc5A1 ASP 416 HB3 -0.08 -0.01 0.15 -0.04 2.70 2.71 1oc5A1 TYR 417 H -0.14 0.25 0.06 -0.55 8.29 7.91 1oc5A1 TYR 417 HA -0.49 0.13 0.24 -0.75 4.56 3.68 1oc5A1 TYR 417 HB2 -0.12 0.04 0.05 -0.04 3.06 2.99 1oc5A1 TYR 417 HB3 -0.11 0.08 0.08 -0.04 2.98 2.99 1oc5A1 TYR 417 HD2 -0.22 0.02 -0.10 -0.04 7.15 6.82 1oc5A1 TYR 417 HE2 -0.25 0.03 -0.02 -0.04 6.85 6.57 1oc5A1 HIS 418 H -0.79 0.05 -0.40 -0.55 8.41 6.72 1oc5A1 HIS 418 HA -0.61 0.08 0.39 -0.75 4.63 3.74 1oc5A1 HIS 418 HB2 -1.10 0.02 0.03 -0.04 3.26 2.17 1oc5A1 HIS 418 HB3 -1.30 -0.08 0.06 -0.04 3.20 1.84 1oc5A1 HIS 418 HD2 -0.31 0.00 0.05 -0.04 6.97 6.66 1oc5A1 HIS 418 HE1 -0.01 0.03 0.04 -0.04 7.75 7.77 1oc5A1 CYS 419 H -0.43 0.49 -0.29 -0.55 8.50 7.72 1oc5A1 CYS 419 HA -0.27 0.10 0.39 -0.75 4.58 4.05 1oc5A1 CYS 419 HB2 -0.17 0.20 -0.03 -0.04 2.97 2.92 1oc5A1 CYS 419 HB3 -0.09 0.07 -0.28 -0.04 2.97 2.63 1oc5A1 GLY 420 H -0.13 0.33 -0.55 -0.55 8.43 7.53 1oc5A1 GLY 420 HA2 0.06 0.18 0.76 -0.51 4.01 4.49 1oc5A1 GLY 420 HA3 0.17 -0.06 0.25 -0.51 4.01 3.86 1oc5A1 LEU 421 H -0.16 0.21 -0.25 -0.55 8.37 7.62 1oc5A1 LEU 421 HA -0.08 0.08 0.49 -0.75 4.35 4.08 1oc5A1 LEU 421 HB2 -0.30 0.09 0.05 -0.04 1.64 1.44 1oc5A1 LEU 421 HB3 -0.27 -0.15 0.12 -0.04 1.64 1.30 1oc5A1 LEU 421 HG -0.28 0.13 0.14 -0.04 1.64 1.59 1oc5A1 LEU 421 HD13 -0.82 -0.02 0.03 -0.04 0.93 0.08 1oc5A1 LEU 421 HD23 -0.08 -0.01 -0.04 -0.04 0.89 0.72 1oc5A1 GLU 422 H -0.06 0.09 0.16 -0.55 8.60 8.25 1oc5A1 GLU 422 HA -0.02 0.15 0.29 -0.75 4.29 3.96 1oc5A1 GLU 422 HB2 -0.01 0.05 0.09 -0.04 2.09 2.17 1oc5A1 GLU 422 HB3 -0.01 0.00 0.13 -0.04 1.99 2.07 1oc5A1 GLU 422 HG2 0.00 -0.11 0.11 -0.04 2.34 2.30 1oc5A1 GLU 422 HG3 0.01 0.06 -0.14 -0.04 2.34 2.23 1oc5A1 ASP 423 H -0.05 -0.05 -0.31 -0.55 8.40 7.44 1oc5A1 ASP 423 HA -0.03 0.23 0.74 -0.75 4.63 4.82 1oc5A1 ASP 423 HB2 -0.05 0.09 0.13 -0.04 2.71 2.85 1oc5A1 ASP 423 HB3 0.00 0.05 0.06 -0.04 2.70 2.77 1oc5A1 ALA 424 H -0.06 0.49 -0.45 -0.55 8.40 7.83 1oc5A1 ALA 424 HA -0.04 0.26 0.69 -0.75 4.34 4.49 1oc5A1 ALA 424 HB3 -0.11 0.01 -0.09 -0.04 1.41 1.18 1oc5A1 LEU 425 H 0.10 0.58 0.17 -0.55 8.37 8.68 1oc5A1 LEU 425 HA 0.07 0.06 0.43 -0.75 4.35 4.15 1oc5A1 LEU 425 HB2 0.09 0.05 0.01 -0.04 1.64 1.74 1oc5A1 LEU 425 HB3 0.25 -0.09 -0.01 -0.04 1.64 1.75 1oc5A1 LEU 425 HG 0.19 0.05 -0.24 -0.04 1.64 1.60 1oc5A1 LEU 425 HD13 -0.02 -0.00 -0.00 -0.04 0.93 0.87 1oc5A1 LEU 425 HD23 -0.32 -0.03 -0.22 -0.04 0.89 0.27 1oc5A1 LYS 426 H 0.11 0.25 0.19 -0.55 8.42 8.41 1oc5A1 LYS 426 HA 0.08 -0.00 0.69 -0.75 4.32 4.33 1oc5A1 LYS 426 HB2 0.03 0.01 -0.01 -0.04 1.87 1.87 1oc5A1 LYS 426 HB3 0.01 -0.10 0.04 -0.04 1.79 1.70 1oc5A1 LYS 426 HG2 0.01 -0.02 -0.11 -0.04 1.46 1.30 1oc5A1 LYS 426 HG3 0.03 0.27 -0.49 -0.04 1.46 1.23 1oc5A1 LYS 426 HD2 0.00 -0.06 -0.04 -0.04 1.69 1.55 1oc5A1 LYS 426 HD3 0.00 -0.08 0.01 -0.04 1.68 1.57 1oc5A1 LYS 426 HE2 -0.00 0.02 -0.09 -0.04 2.99 2.88 1oc5A1 LYS 426 HE3 -0.00 0.06 -0.13 -0.04 2.99 2.87 1oc5A1 PRO 427 HA -0.03 0.05 0.41 -0.51 4.44 4.37 1oc5A1 PRO 427 HB2 -0.06 0.01 -0.09 -0.04 2.28 2.10 1oc5A1 PRO 427 HB3 -0.03 0.04 0.07 -0.04 2.02 2.06 1oc5A1 PRO 427 HG2 0.00 -0.00 0.08 -0.04 2.03 2.07 1oc5A1 PRO 427 HG3 0.00 0.04 0.08 -0.04 2.03 2.11 1oc5A1 PRO 427 HD2 0.08 0.08 0.28 -0.04 3.68 4.08 1oc5A1 PRO 427 HD3 0.03 0.11 0.27 -0.04 3.65 4.02 1oc5A1 ALA 428 H -0.15 0.09 0.23 -0.55 8.40 8.02 1oc5A1 ALA 428 HA -1.26 0.19 0.90 -0.75 4.34 3.42 1oc5A1 ALA 428 HB3 -0.31 0.07 0.09 -0.04 1.41 1.22 1oc5A1 PRO 429 HA -0.12 0.06 0.49 -0.51 4.44 4.36 1oc5A1 PRO 429 HB2 -0.06 -0.02 0.06 -0.04 2.28 2.22 1oc5A1 PRO 429 HB3 -0.11 0.04 0.05 -0.04 2.02 1.96 1oc5A1 PRO 429 HG2 -0.15 0.09 -0.26 -0.04 2.03 1.68 1oc5A1 PRO 429 HG3 -0.13 0.26 -0.12 -0.04 2.03 2.00 1oc5A1 PRO 429 HD2 -0.95 0.06 0.10 -0.04 3.68 2.86 1oc5A1 PRO 429 HD3 -0.83 0.17 0.19 -0.04 3.65 3.14 1oc5A1 GLU 430 H -0.04 0.11 0.09 -0.55 8.60 8.21 1oc5A1 GLU 430 HA -0.01 -0.06 0.33 -0.75 4.29 3.79 1oc5A1 GLU 430 HB2 0.01 0.05 0.03 -0.04 2.09 2.13 1oc5A1 GLU 430 HB3 0.01 0.05 0.06 -0.04 1.99 2.07 1oc5A1 GLU 430 HG2 -0.01 -0.06 0.09 -0.04 2.34 2.31 1oc5A1 GLU 430 HG3 0.01 0.06 0.04 -0.04 2.34 2.40 1oc5A1 ALA 431 H 0.01 0.03 0.07 -0.55 8.40 7.97 1oc5A1 ALA 431 HA 0.00 0.07 -0.01 -0.75 4.34 3.64 1oc5A1 ALA 431 HB3 0.02 0.02 -0.04 -0.04 1.41 1.38 1oc5A1 GLY 432 H -0.01 0.65 0.16 -0.55 8.43 8.68 1oc5A1 GLY 432 HA2 0.01 0.00 0.29 -0.51 4.01 3.80 1oc5A1 GLY 432 HA3 0.03 0.06 0.40 -0.51 4.01 3.99 1oc5A1 GLN 433 H 0.03 0.56 -0.39 -0.55 8.47 8.13 1oc5A1 GLN 433 HA 0.12 0.10 0.66 -0.75 4.36 4.48 1oc5A1 GLN 433 HB2 0.02 0.04 -0.05 -0.04 2.15 2.12 1oc5A1 GLN 433 HB3 0.07 0.02 0.05 -0.04 2.02 2.12 1oc5A1 GLN 433 HG2 0.06 0.01 -0.06 -0.04 2.40 2.37 1oc5A1 GLN 433 HG3 0.03 0.09 -0.19 -0.04 2.39 2.28 1oc5A1 GLN 433 HE21 0.01 -0.02 0.01 -0.04 6.97 6.93 1oc5A1 GLN 433 HE22 0.02 0.05 -0.04 -0.04 7.69 7.69 1oc5A1 TRP 434 H 0.29 0.11 0.15 -0.55 7.97 7.97 1oc5A1 TRP 434 HA 0.06 0.15 0.48 -0.75 4.62 4.56 1oc5A1 TRP 434 HB2 -0.05 0.01 0.10 -0.04 3.23 3.24 1oc5A1 TRP 434 HB3 -0.02 -0.01 0.06 -0.04 3.23 3.22 1oc5A1 TRP 434 HD1 -0.02 -0.02 -0.23 -0.04 7.22 6.90 1oc5A1 TRP 434 HE1 -0.20 -0.00 -0.14 -0.04 10.20 9.81 1oc5A1 TRP 434 HE3 -0.03 -0.03 -0.20 -0.04 7.59 7.29 1oc5A1 TRP 434 HZ2 -1.81 0.00 -0.07 -0.04 7.44 5.52 1oc5A1 TRP 434 HZ3 -0.06 0.01 -0.20 -0.04 7.13 6.84 1oc5A1 TRP 434 HH2 -0.44 0.13 -0.05 -0.04 7.19 6.79 1oc5A1 PHE 435 H -0.74 0.79 0.25 -0.55 8.34 8.09 1oc5A1 PHE 435 HA -0.12 0.13 0.86 -0.75 4.62 4.74 1oc5A1 PHE 435 HB2 -0.17 0.06 -0.05 -0.04 3.15 2.94 1oc5A1 PHE 435 HB3 -0.27 0.02 0.13 -0.04 3.06 2.90 1oc5A1 PHE 435 HD2 -0.13 -0.08 -0.04 -0.04 7.28 7.00 1oc5A1 PHE 435 HE2 -0.03 0.10 -0.08 -0.04 7.38 7.33 1oc5A1 PHE 435 HZ 0.02 0.06 -0.59 -0.04 7.32 6.77 1oc5A1 ASN 436 H 0.18 0.27 0.05 -0.55 8.53 8.49 1oc5A1 ASN 436 HA -0.02 0.07 0.19 -0.75 4.76 4.25 1oc5A1 ASN 436 HB2 0.35 0.07 0.06 -0.04 2.88 3.33 1oc5A1 ASN 436 HB3 0.19 0.03 0.06 -0.04 2.79 3.03 1oc5A1 ASN 436 HD21 0.22 0.08 -0.08 -0.04 7.03 7.21 1oc5A1 ASN 436 HD22 0.17 -0.00 -0.08 -0.04 7.74 7.79 1oc5A1 GLU 437 H 0.16 0.15 -0.10 -0.55 8.60 8.26 1oc5A1 GLU 437 HA -0.01 0.09 0.39 -0.75 4.29 4.01 1oc5A1 GLU 437 HB2 0.09 0.03 -0.02 -0.04 2.09 2.15 1oc5A1 GLU 437 HB3 -0.03 0.04 -0.01 -0.04 1.99 1.95 1oc5A1 GLU 437 HG2 0.13 -0.07 0.04 -0.04 2.34 2.41 1oc5A1 GLU 437 HG3 0.11 0.09 0.01 -0.04 2.34 2.50 1oc5A1 TYR 438 H -0.70 0.13 -0.37 -0.55 8.29 6.80 1oc5A1 TYR 438 HA -0.51 0.10 0.49 -0.75 4.56 3.88 1oc5A1 TYR 438 HB2 -1.97 -0.02 0.02 -0.04 3.06 1.05 1oc5A1 TYR 438 HB3 -0.66 0.08 0.03 -0.04 2.98 2.39 1oc5A1 TYR 438 HD2 -0.38 -0.04 -0.16 -0.04 7.15 6.52 1oc5A1 TYR 438 HE2 -0.15 0.12 -0.36 -0.04 6.85 6.41 1oc5A1 PHE 439 H -0.12 0.45 -0.04 -0.55 8.34 8.07 1oc5A1 PHE 439 HA -0.17 0.01 0.35 -0.75 4.62 4.07 1oc5A1 PHE 439 HB2 -0.41 -0.04 0.09 -0.04 3.15 2.76 1oc5A1 PHE 439 HB3 0.01 0.16 0.16 -0.04 3.06 3.34 1oc5A1 PHE 439 HD2 0.32 0.05 -0.10 -0.04 7.28 7.51 1oc5A1 PHE 439 HE2 0.32 0.03 -0.06 -0.04 7.38 7.63 1oc5A1 PHE 439 HZ 0.09 0.05 0.02 -0.04 7.32 7.44 1oc5A1 ILE 440 H 0.03 0.56 -0.14 -0.55 8.25 8.14 1oc5A1 ILE 440 HA -0.15 0.02 0.45 -0.75 4.18 3.75 1oc5A1 ILE 440 HB -0.04 0.08 0.13 -0.04 1.89 2.02 1oc5A1 ILE 440 HG12 0.11 -0.04 -0.01 -0.04 1.49 1.51 1oc5A1 ILE 440 HG13 0.19 0.16 0.05 -0.04 1.21 1.57 1oc5A1 ILE 440 HG23 -0.04 -0.02 -0.07 -0.04 0.93 0.77 1oc5A1 ILE 440 HD13 0.08 -0.02 -0.06 -0.04 0.88 0.85 1oc5A1 GLN 441 H -0.28 0.45 -0.20 -0.55 8.47 7.90 1oc5A1 GLN 441 HA -0.22 -0.02 0.41 -0.75 4.36 3.78 1oc5A1 GLN 441 HB2 -0.36 -0.00 0.15 -0.04 2.15 1.90 1oc5A1 GLN 441 HB3 -0.69 0.13 0.19 -0.04 2.02 1.62 1oc5A1 GLN 441 HG2 -0.40 0.27 -0.24 -0.04 2.40 1.98 1oc5A1 GLN 441 HG3 -0.28 -0.08 0.07 -0.04 2.39 2.06 1oc5A1 GLN 441 HE21 -0.44 0.45 0.08 -0.04 6.97 7.03 1oc5A1 GLN 441 HE22 -0.54 0.19 -0.05 -0.04 7.69 7.25 1oc5A1 LEU 442 H -0.51 0.50 -0.22 -0.55 8.37 7.59 1oc5A1 LEU 442 HA -0.47 0.13 0.44 -0.75 4.35 3.70 1oc5A1 LEU 442 HB2 -0.98 0.14 0.09 -0.04 1.64 0.85 1oc5A1 LEU 442 HB3 -1.94 -0.09 -0.02 -0.04 1.64 -0.44 1oc5A1 LEU 442 HG -0.67 0.14 -0.06 -0.04 1.64 1.00 1oc5A1 LEU 442 HD13 -0.32 -0.02 -0.16 -0.04 0.93 0.39 1oc5A1 LEU 442 HD23 -0.35 0.03 -0.35 -0.04 0.89 0.19 1oc5A1 LEU 443 H -0.31 0.47 -0.17 -0.55 8.37 7.81 1oc5A1 LEU 443 HA 0.23 0.02 0.49 -0.75 4.35 4.34 1oc5A1 LEU 443 HB2 -0.17 0.12 0.22 -0.04 1.64 1.77 1oc5A1 LEU 443 HB3 -0.03 -0.07 -0.04 -0.04 1.64 1.45 1oc5A1 LEU 443 HG -0.61 0.10 -0.00 -0.04 1.64 1.10 1oc5A1 LEU 443 HD13 -0.17 -0.04 -0.04 -0.04 0.93 0.65 1oc5A1 LEU 443 HD23 -0.12 -0.02 -0.09 -0.04 0.89 0.62 1oc5A1 ARG 444 H -0.11 0.64 0.01 -0.55 8.46 8.44 1oc5A1 ARG 444 HA -0.01 -0.02 0.43 -0.75 4.34 3.99 1oc5A1 ARG 444 HB2 -0.10 0.10 0.13 -0.04 1.90 2.00 1oc5A1 ARG 444 HB3 -0.05 -0.05 0.01 -0.04 1.80 1.67 1oc5A1 ARG 444 HG2 -0.03 -0.08 0.04 -0.04 1.67 1.57 1oc5A1 ARG 444 HG3 -0.07 0.14 0.07 -0.04 1.67 1.77 1oc5A1 ARG 444 HD2 -0.08 0.01 -0.04 -0.04 3.22 3.06 1oc5A1 ARG 444 HD3 -0.05 -0.01 -0.01 -0.04 3.22 3.11 1oc5A1 ASN 445 H -0.09 0.42 -0.30 -0.55 8.53 8.00 1oc5A1 ASN 445 HA -0.03 0.12 0.63 -0.75 4.76 4.73 1oc5A1 ASN 445 HB2 -0.14 0.23 -0.04 -0.04 2.88 2.89 1oc5A1 ASN 445 HB3 -0.07 -0.12 -0.21 -0.04 2.79 2.35 1oc5A1 ASN 445 HD21 -0.13 -0.18 -0.06 -0.04 7.03 6.61 1oc5A1 ASN 445 HD22 -0.19 0.36 -0.08 -0.04 7.74 7.78 1oc5A1 ALA 446 H 0.08 0.28 -0.47 -0.55 8.40 7.75 1oc5A1 ALA 446 HA 0.17 0.06 0.28 -0.75 4.34 4.09 1oc5A1 ALA 446 HB3 0.38 0.00 0.09 -0.04 1.41 1.83 1oc5A1 ASN 447 H 0.13 0.66 0.03 -0.55 8.53 8.80 1oc5A1 ASN 447 HA 0.02 -0.09 0.48 -0.75 4.76 4.41 1oc5A1 ASN 447 HB2 0.02 0.09 -0.23 -0.04 2.88 2.72 1oc5A1 ASN 447 HB3 0.04 0.11 0.02 -0.04 2.79 2.91 1oc5A1 ASN 447 HD21 0.02 -0.14 0.02 -0.04 7.03 6.89 1oc5A1 ASN 447 HD22 0.02 0.39 0.15 -0.04 7.74 8.26 1oc5A1 PRO 448 HA -0.02 0.08 0.33 -0.51 4.44 4.32 1oc5A1 PRO 448 HB2 -0.14 0.14 -0.13 -0.04 2.28 2.11 1oc5A1 PRO 448 HB3 -0.05 -0.02 0.08 -0.04 2.02 1.98 1oc5A1 PRO 448 HG2 -0.07 0.01 0.04 -0.04 2.03 1.97 1oc5A1 PRO 448 HG3 -0.03 -0.02 0.07 -0.04 2.03 2.01 1oc5A1 PRO 448 HD2 0.04 0.14 0.06 -0.04 3.68 3.88 1oc5A1 PRO 448 HD3 0.02 0.03 0.15 -0.04 3.65 3.81 1oc5A1 PRO 449 HA 0.03 0.08 0.28 -0.51 4.44 4.32 1oc5A1 PRO 449 HB2 0.01 0.06 -0.07 -0.04 2.28 2.24 1oc5A1 PRO 449 HB3 0.03 0.11 0.07 -0.04 2.02 2.19 1oc5A1 PRO 449 HG2 -0.02 -0.03 0.03 -0.04 2.03 1.97 1oc5A1 PRO 449 HG3 -0.00 0.03 0.06 -0.04 2.03 2.08 1oc5A1 PRO 449 HD2 -0.04 0.03 0.16 -0.04 3.68 3.79 1oc5A1 PRO 449 HD3 -0.01 0.15 0.18 -0.04 3.65 3.92 1oc5A1 PHE 450 H 0.22 0.14 0.05 -0.55 8.34 8.19 1oc5A1 PHE 450 HA 0.03 0.24 0.55 -0.75 4.62 4.68 1oc5A1 PHE 450 HB2 0.04 -0.02 0.11 -0.04 3.15 3.24 1oc5A1 PHE 450 HB3 0.03 -0.02 0.13 -0.04 3.06 3.15 1oc5A1 PHE 450 HD2 0.07 -0.02 -0.04 -0.04 7.28 7.25 1oc5A1 PHE 450 HE2 0.07 0.01 -0.13 -0.04 7.38 7.29 1oc5A1 PHE 450 HZ 0.09 0.00 -0.06 -0.04 7.32 7.31