============================================================================= 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 9 0.840 22.532 16.364 80.746 -99.200 -91.000 TRP 11 1.040 20.829 21.769 78.079 -99.200 -91.000 TRP6 11 1.020 22.068 21.055 76.192 -99.200 -91.000 TYR 25 0.840 14.322 18.072 55.829 -99.200 -91.000 TRP 29 1.040 12.297 16.142 59.554 -99.200 -91.000 TRP6 29 1.020 14.577 16.188 60.197 -99.200 -91.000 TYR 39 0.840 26.207 5.189 74.553 -99.200 -91.000 TYR 58 0.840 22.613 7.122 48.921 -99.200 -91.000 TRP 69 1.040 21.051 21.345 40.719 -99.200 -91.000 TRP6 69 1.020 20.853 21.254 38.366 -99.200 -91.000 TRP 72 1.040 19.829 25.692 45.534 -99.200 -91.000 TRP6 72 1.020 19.028 27.386 46.962 -99.200 -91.000 TYR 120 0.840 26.308 26.260 58.905 -99.200 -91.000 TYR 126 0.840 34.014 34.818 52.283 -99.200 -91.000 HIS 146 0.900 34.085 34.624 16.200 -99.200 -91.000 TRP 152 1.040 33.677 29.879 36.900 -99.200 -91.000 TRP6 152 1.020 35.017 28.052 37.591 -99.200 -91.000 PHE 164 1.000 36.317 12.624 66.617 -99.200 -91.000 PHE 166 1.000 37.241 21.530 64.287 -99.200 -91.000 TYR 171 0.840 25.801 20.562 56.391 -99.200 -91.000 TRP 173 1.040 34.289 26.141 57.495 -99.200 -91.000 TRP6 173 1.020 36.006 24.645 58.142 -99.200 -91.000 TRP 187 1.040 26.305 16.631 57.389 -99.200 -91.000 TRP6 187 1.020 25.360 17.979 59.077 -99.200 -91.000 PHE 242 1.000 36.253 10.980 53.939 -99.200 -91.000 PHE 260 1.000 37.208 9.186 34.085 -99.200 -91.000 PHE 276 1.000 63.758 28.495 62.788 -99.200 -91.000 PHE 290 1.000 44.111 27.279 71.019 -99.200 -91.000 PHE 307 1.000 60.511 18.989 63.892 -99.200 -91.000 HIS 309 0.900 69.097 26.726 67.932 -99.200 -91.000 HIS 313 0.900 64.690 19.793 73.915 -99.200 -91.000 TYR 324 0.840 51.245 19.731 77.773 -99.200 -91.000 TRP 333 1.040 28.450 20.255 81.172 -99.200 -91.000 TRP6 333 1.020 28.818 18.046 80.418 -99.200 -91.000 TYR 339 0.840 42.839 17.388 78.521 -99.200 -91.000 HIS 343 0.900 33.360 11.834 69.610 -99.200 -91.000 PHE 351 1.000 47.091 9.055 76.016 -99.200 -91.000 TYR 367 0.840 52.062 16.813 82.561 -99.200 -91.000 TYR 378 0.840 37.406 13.877 81.360 -99.200 -91.000 HIS 389 0.900 64.460 13.558 61.269 -99.200 -91.000 HIS 395 0.900 58.109 10.631 59.467 -99.200 -91.000 PHE 399 1.000 41.863 13.740 65.271 -99.200 -91.000 TYR 404 0.840 54.792 11.595 69.027 -99.200 -91.000 PHE 406 1.000 60.436 14.988 66.862 -99.200 -91.000 PHE 408 1.000 65.243 24.131 64.938 -99.200 -91.000 PHE 415 1.000 62.291 26.669 56.971 -99.200 -91.000 TRP 417 1.040 64.888 16.908 59.980 -99.200 -91.000 TRP6 417 1.020 66.109 17.440 61.932 -99.200 -91.000 PHE 430 1.000 54.981 30.186 67.442 -99.200 -91.000 PHE 438 1.000 58.315 38.286 53.352 -99.200 -91.000 TRP 440 1.040 57.032 28.912 57.690 -99.200 -91.000 TRP6 440 1.020 57.470 26.602 58.012 -99.200 -91.000 PHE 466 1.000 41.262 24.103 57.389 -99.200 -91.000 HIS 471 0.900 50.004 9.962 52.020 -99.200 -91.000 TRP 483 1.040 34.273 31.197 44.145 -99.200 -91.000 TRP6 483 1.020 33.733 30.933 41.852 -99.200 -91.000 TYR 486 0.840 32.285 23.537 47.574 -99.200 -91.000 TYR 496 0.840 29.895 39.844 18.411 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2j6lD1 THR 4 HA -0.01 -0.02 0.11 -0.75 4.39 3.71 2j6lD1 THR 4 HB -0.01 -0.00 0.07 -0.04 4.32 4.34 2j6lD1 THR 4 HG23 -0.01 -0.01 0.02 -0.04 1.22 1.19 2j6lD1 LEU 5 H -0.06 0.17 0.05 -0.55 8.37 7.98 2j6lD1 LEU 5 HA -0.13 0.23 0.55 -0.75 4.35 4.24 2j6lD1 LEU 5 HB2 -0.10 -0.06 0.10 -0.04 1.64 1.54 2j6lD1 LEU 5 HB3 -0.15 0.13 -0.05 -0.04 1.64 1.53 2j6lD1 LEU 5 HG -0.09 0.01 -0.04 -0.04 1.64 1.48 2j6lD1 LEU 5 HD13 -0.10 -0.00 0.00 -0.04 0.93 0.79 2j6lD1 LEU 5 HD23 -0.16 -0.01 -0.31 -0.04 0.89 0.37 2j6lD1 LEU 6 H -0.22 0.62 0.44 -0.55 8.37 8.66 2j6lD1 LEU 6 HA -0.15 0.03 0.29 -0.75 4.35 3.77 2j6lD1 LEU 6 HB2 -0.50 -0.05 0.18 -0.04 1.64 1.23 2j6lD1 LEU 6 HB3 -1.21 -0.06 0.04 -0.04 1.64 0.37 2j6lD1 LEU 6 HG -0.26 0.25 -0.12 -0.04 1.64 1.47 2j6lD1 LEU 6 HD13 -0.62 -0.03 -0.04 -0.04 0.93 0.20 2j6lD1 LEU 6 HD23 -0.09 -0.01 -0.04 -0.04 0.89 0.71 2j6lD1 ILE 7 H -0.23 0.48 -0.08 -0.55 8.25 7.86 2j6lD1 ILE 7 HA -0.25 0.06 0.25 -0.75 4.18 3.48 2j6lD1 ILE 7 HB -0.23 0.04 -0.01 -0.04 1.89 1.65 2j6lD1 ILE 7 HG12 -0.17 -0.01 -0.18 -0.04 1.49 1.09 2j6lD1 ILE 7 HG13 -0.27 0.00 -0.05 -0.04 1.21 0.85 2j6lD1 ILE 7 HG23 -0.14 0.01 -0.24 -0.04 0.93 0.51 2j6lD1 ILE 7 HD13 -0.19 0.03 -0.36 -0.04 0.88 0.32 2j6lD1 ASN 8 H -0.11 0.44 -0.51 -0.55 8.53 7.81 2j6lD1 ASN 8 HA -0.07 0.11 0.65 -0.75 4.76 4.69 2j6lD1 ASN 8 HB2 -0.06 0.17 0.06 -0.04 2.88 3.01 2j6lD1 ASN 8 HB3 -0.05 -0.03 0.11 -0.04 2.79 2.78 2j6lD1 ASN 8 HD21 -0.07 -0.09 -0.05 -0.04 7.03 6.77 2j6lD1 ASN 8 HD22 -0.07 0.12 -0.06 -0.04 7.74 7.68 2j6lD1 GLN 9 H -0.03 0.53 -0.28 -0.55 8.47 8.15 2j6lD1 GLN 9 HA -0.00 0.16 0.73 -0.75 4.36 4.50 2j6lD1 GLN 9 HB2 0.23 0.04 0.13 -0.04 2.15 2.51 2j6lD1 GLN 9 HB3 0.07 -0.10 0.05 -0.04 2.02 2.01 2j6lD1 GLN 9 HG2 0.02 0.02 -0.12 -0.04 2.40 2.28 2j6lD1 GLN 9 HG3 0.00 0.18 -0.13 -0.04 2.39 2.40 2j6lD1 GLN 9 HE21 0.03 -0.01 -0.12 -0.04 6.97 6.83 2j6lD1 GLN 9 HE22 -0.00 0.05 -0.34 -0.04 7.69 7.36 2j6lD1 PRO 10 HA -0.04 0.10 0.36 -0.51 4.44 4.36 2j6lD1 PRO 10 HB2 -0.03 -0.01 0.02 -0.04 2.28 2.23 2j6lD1 PRO 10 HB3 -0.02 0.04 0.07 -0.04 2.02 2.07 2j6lD1 PRO 10 HG2 -0.01 0.04 0.09 -0.04 2.03 2.10 2j6lD1 PRO 10 HG3 -0.02 0.08 0.09 -0.04 2.03 2.14 2j6lD1 PRO 10 HD2 -0.01 0.06 0.21 -0.04 3.68 3.90 2j6lD1 PRO 10 HD3 -0.01 0.27 0.26 -0.04 3.65 4.12 2j6lD1 GLN 11 H -0.08 0.13 -0.23 -0.55 8.47 7.74 2j6lD1 GLN 11 HA -0.08 0.10 0.46 -0.75 4.36 4.09 2j6lD1 GLN 11 HB2 -0.25 0.02 0.08 -0.04 2.15 1.96 2j6lD1 GLN 11 HB3 -0.13 0.00 0.08 -0.04 2.02 1.92 2j6lD1 GLN 11 HG2 -0.20 -0.02 -0.02 -0.04 2.40 2.11 2j6lD1 GLN 11 HG3 -1.27 0.05 -0.19 -0.04 2.39 0.94 2j6lD1 GLN 11 HE21 0.07 0.01 -0.02 -0.04 6.97 6.99 2j6lD1 GLN 11 HE22 0.04 0.01 -0.02 -0.04 7.69 7.67 2j6lD1 TYR 12 H -0.11 0.44 -0.36 -0.55 8.29 7.71 2j6lD1 TYR 12 HA -0.66 0.13 0.78 -0.75 4.56 4.05 2j6lD1 TYR 12 HB2 -0.35 0.35 -0.01 -0.04 3.06 3.01 2j6lD1 TYR 12 HB3 -0.73 -0.11 0.05 -0.04 2.98 2.15 2j6lD1 TYR 12 HD2 -0.16 0.07 -0.01 -0.04 7.15 7.01 2j6lD1 TYR 12 HE2 -0.32 0.01 -0.05 -0.04 6.85 6.45 2j6lD1 ALA 13 H -0.12 0.46 -0.34 -0.55 8.40 7.86 2j6lD1 ALA 13 HA -0.15 0.13 0.39 -0.75 4.34 3.95 2j6lD1 ALA 13 HB3 -0.03 0.01 0.07 -0.04 1.41 1.42 2j6lD1 TRP 14 H -0.01 0.17 -0.41 -0.55 7.97 7.17 2j6lD1 TRP 14 HA -0.03 0.06 0.41 -0.75 4.62 4.30 2j6lD1 TRP 14 HB2 -0.03 -0.03 0.03 -0.04 3.23 3.16 2j6lD1 TRP 14 HB3 -0.04 0.03 0.06 -0.04 3.23 3.24 2j6lD1 TRP 14 HD1 -0.10 0.12 0.06 -0.04 7.22 7.26 2j6lD1 TRP 14 HE1 -0.22 0.07 0.05 -0.04 10.20 10.06 2j6lD1 TRP 14 HE3 -0.03 -0.05 -0.42 -0.04 7.59 7.06 2j6lD1 TRP 14 HZ2 -0.12 0.00 -0.07 -0.04 7.44 7.20 2j6lD1 TRP 14 HZ3 -0.03 0.04 -0.12 -0.04 7.13 6.98 2j6lD1 TRP 14 HH2 -0.07 0.02 -0.33 -0.04 7.19 6.77 2j6lD1 LEU 15 H -0.90 0.59 -0.35 -0.55 8.37 7.16 2j6lD1 LEU 15 HA -0.17 -0.00 0.38 -0.75 4.35 3.80 2j6lD1 LEU 15 HB2 -0.48 0.20 0.04 -0.04 1.64 1.35 2j6lD1 LEU 15 HB3 -0.33 -0.07 -0.05 -0.04 1.64 1.15 2j6lD1 LEU 15 HG -1.91 -0.01 0.01 -0.04 1.64 -0.32 2j6lD1 LEU 15 HD13 -0.53 0.01 -0.08 -0.04 0.93 0.29 2j6lD1 LEU 15 HD23 -0.34 -0.02 -0.05 -0.04 0.89 0.45 2j6lD1 LYS 16 H -0.13 0.58 -0.29 -0.55 8.42 8.02 2j6lD1 LYS 16 HA -0.09 0.18 0.50 -0.75 4.32 4.16 2j6lD1 LYS 16 HB2 -0.05 0.10 0.11 -0.04 1.87 1.99 2j6lD1 LYS 16 HB3 -0.06 -0.05 0.10 -0.04 1.79 1.74 2j6lD1 LYS 16 HG2 -0.11 0.13 0.04 -0.04 1.46 1.48 2j6lD1 LYS 16 HG3 -0.13 0.03 0.09 -0.04 1.46 1.41 2j6lD1 LYS 16 HD2 -0.07 -0.02 0.05 -0.04 1.69 1.61 2j6lD1 LYS 16 HD3 -0.07 -0.05 0.03 -0.04 1.68 1.55 2j6lD1 LYS 16 HE2 -0.10 -0.04 -0.00 -0.04 2.99 2.81 2j6lD1 LYS 16 HE3 -0.10 0.13 0.03 -0.04 2.99 3.00 2j6lD1 GLU 17 H 0.04 0.45 -0.31 -0.55 8.60 8.24 2j6lD1 GLU 17 HA 0.02 0.07 0.46 -0.75 4.29 4.09 2j6lD1 GLU 17 HB2 0.14 0.16 0.10 -0.04 2.09 2.44 2j6lD1 GLU 17 HB3 0.06 -0.03 0.08 -0.04 1.99 2.06 2j6lD1 GLU 17 HG2 0.05 -0.00 0.04 -0.04 2.34 2.38 2j6lD1 GLU 17 HG3 0.09 0.00 0.09 -0.04 2.34 2.48 2j6lD1 LEU 18 H 0.02 0.34 -0.40 -0.55 8.37 7.79 2j6lD1 LEU 18 HA 0.02 0.17 0.74 -0.75 4.35 4.53 2j6lD1 LEU 18 HB2 0.02 0.13 0.07 -0.04 1.64 1.82 2j6lD1 LEU 18 HB3 0.02 -0.05 0.13 -0.04 1.64 1.71 2j6lD1 LEU 18 HG 0.13 -0.03 -0.18 -0.04 1.64 1.52 2j6lD1 LEU 18 HD13 0.16 -0.00 -0.15 -0.04 0.93 0.90 2j6lD1 LEU 18 HD23 0.07 0.01 -0.06 -0.04 0.89 0.87 2j6lD1 GLY 19 H -0.04 0.46 -0.37 -0.55 8.43 7.93 2j6lD1 GLY 19 HA2 -0.09 0.07 0.29 -0.51 4.01 3.77 2j6lD1 GLY 19 HA3 -0.11 0.05 0.37 -0.51 4.01 3.81 2j6lD1 LEU 20 H -0.09 0.17 -0.24 -0.55 8.37 7.66 2j6lD1 LEU 20 HA -0.14 0.05 0.50 -0.75 4.35 4.01 2j6lD1 LEU 20 HB2 -0.13 0.09 -0.10 -0.04 1.64 1.46 2j6lD1 LEU 20 HB3 -0.14 -0.01 -0.09 -0.04 1.64 1.37 2j6lD1 LEU 20 HG -0.07 0.07 -0.21 -0.04 1.64 1.39 2j6lD1 LEU 20 HD13 -0.08 -0.02 -0.07 -0.04 0.93 0.72 2j6lD1 LEU 20 HD23 -0.10 0.01 -0.10 -0.04 0.89 0.65 2j6lD1 ARG 21 H -0.13 0.16 0.05 -0.55 8.46 7.98 2j6lD1 ARG 21 HA -0.11 0.20 0.62 -0.75 4.34 4.30 2j6lD1 ARG 21 HB2 -0.09 -0.09 0.14 -0.04 1.90 1.82 2j6lD1 ARG 21 HB3 -0.11 0.00 -0.20 -0.04 1.80 1.45 2j6lD1 ARG 21 HG2 -0.13 0.01 -0.08 -0.04 1.67 1.43 2j6lD1 ARG 21 HG3 -0.10 -0.19 -0.10 -0.04 1.67 1.24 2j6lD1 ARG 21 HD2 -0.08 0.00 0.02 -0.04 3.22 3.12 2j6lD1 ARG 21 HD3 -0.11 0.00 -0.01 -0.04 3.22 3.06 2j6lD1 GLU 22 H -0.09 0.17 0.10 -0.55 8.60 8.23 2j6lD1 GLU 22 HA -0.11 0.05 0.38 -0.75 4.29 3.86 2j6lD1 GLU 22 HB2 -0.07 0.00 0.12 -0.04 2.09 2.10 2j6lD1 GLU 22 HB3 -0.08 0.00 -0.01 -0.04 1.99 1.86 2j6lD1 GLU 22 HG2 -0.08 0.01 0.01 -0.04 2.34 2.23 2j6lD1 GLU 22 HG3 -0.08 0.01 0.05 -0.04 2.34 2.28 2j6lD1 GLU 23 H -0.08 0.16 -0.09 -0.55 8.60 8.04 2j6lD1 GLU 23 HA -0.07 0.19 0.81 -0.75 4.29 4.45 2j6lD1 GLU 23 HB2 -0.06 -0.01 -0.14 -0.04 2.09 1.85 2j6lD1 GLU 23 HB3 -0.05 -0.01 0.03 -0.04 1.99 1.92 2j6lD1 GLU 23 HG2 -0.04 0.01 -0.25 -0.04 2.34 2.02 2j6lD1 GLU 23 HG3 -0.04 -0.04 -0.14 -0.04 2.34 2.08 2j6lD1 ASN 24 H -0.07 0.54 0.18 -0.55 8.53 8.63 2j6lD1 ASN 24 HA -0.11 0.17 0.94 -0.75 4.76 5.00 2j6lD1 ASN 24 HB2 -0.08 -0.03 0.06 -0.04 2.88 2.79 2j6lD1 ASN 24 HB3 -0.14 0.10 -0.01 -0.04 2.79 2.71 2j6lD1 ASN 24 HD21 -0.12 0.25 -0.04 -0.04 7.03 7.08 2j6lD1 ASN 24 HD22 -0.10 0.32 0.02 -0.04 7.74 7.94 2j6lD1 GLU 25 H -0.09 0.18 0.17 -0.55 8.60 8.31 2j6lD1 GLU 25 HA 0.08 0.04 0.60 -0.75 4.29 4.26 2j6lD1 GLU 25 HB2 0.13 0.00 0.19 -0.04 2.09 2.37 2j6lD1 GLU 25 HB3 0.39 0.06 0.17 -0.04 1.99 2.57 2j6lD1 GLU 25 HG2 0.19 0.02 -0.19 -0.04 2.34 2.31 2j6lD1 GLU 25 HG3 0.09 -0.01 -0.07 -0.04 2.34 2.31 2j6lD1 GLY 26 H 0.10 0.45 0.47 -0.55 8.43 8.90 2j6lD1 GLY 26 HA2 0.13 0.12 0.70 -0.51 4.01 4.44 2j6lD1 GLY 26 HA3 0.05 -0.03 0.33 -0.51 4.01 3.85 2j6lD1 VAL 27 H 0.21 0.47 0.05 -0.55 8.24 8.41 2j6lD1 VAL 27 HA 0.02 0.36 0.93 -0.75 4.13 4.69 2j6lD1 VAL 27 HB 0.06 -0.20 -0.31 -0.04 2.12 1.62 2j6lD1 VAL 27 HG13 -0.04 0.03 -0.13 -0.04 0.97 0.80 2j6lD1 VAL 27 HG23 0.04 -0.03 -0.18 -0.04 0.95 0.74 2j6lD1 TYR 28 H -0.10 0.60 0.31 -0.55 8.29 8.55 2j6lD1 TYR 28 HA -0.71 0.27 0.75 -0.75 4.56 4.12 2j6lD1 TYR 28 HB2 -2.08 0.04 -0.06 -0.04 3.06 0.92 2j6lD1 TYR 28 HB3 -0.60 -0.01 0.12 -0.04 2.98 2.46 2j6lD1 TYR 28 HD2 -1.40 0.13 -0.17 -0.04 7.15 5.67 2j6lD1 TYR 28 HE2 -0.22 0.19 -0.11 -0.04 6.85 6.66 2j6lD1 ASN 29 H -0.84 0.47 0.17 -0.55 8.53 7.78 2j6lD1 ASN 29 HA -0.44 0.20 0.51 -0.75 4.76 4.28 2j6lD1 ASN 29 HB2 -0.21 0.03 0.19 -0.04 2.88 2.85 2j6lD1 ASN 29 HB3 -0.21 0.07 -0.06 -0.04 2.79 2.55 2j6lD1 ASN 29 HD21 -0.10 -0.05 -0.16 -0.04 7.03 6.69 2j6lD1 ASN 29 HD22 -0.12 0.02 -0.13 -0.04 7.74 7.47 2j6lD1 GLY 30 H -2.23 0.22 -0.11 -0.55 8.43 5.76 2j6lD1 GLY 30 HA2 -0.38 0.01 0.43 -0.51 4.01 3.55 2j6lD1 GLY 30 HA3 -0.30 0.19 0.73 -0.51 4.01 4.12 2j6lD1 SER 31 H -0.37 0.12 -0.27 -0.55 8.46 7.39 2j6lD1 SER 31 HA 0.02 0.25 0.76 -0.75 4.49 4.76 2j6lD1 SER 31 HB2 -0.07 -0.05 -0.09 -0.04 3.95 3.69 2j6lD1 SER 31 HB3 0.03 0.06 0.05 -0.04 3.93 4.04 2j6lD1 TRP 32 H 0.31 0.20 0.16 -0.55 7.97 8.10 2j6lD1 TRP 32 HA 0.13 0.37 0.97 -0.75 4.62 5.34 2j6lD1 TRP 32 HB2 0.06 -0.03 0.14 -0.04 3.23 3.36 2j6lD1 TRP 32 HB3 0.06 0.00 0.05 -0.04 3.23 3.30 2j6lD1 TRP 32 HD1 0.14 -0.01 -0.00 -0.04 7.22 7.31 2j6lD1 TRP 32 HE1 -0.05 0.05 -0.05 -0.04 10.20 10.10 2j6lD1 TRP 32 HE3 0.06 0.00 -0.08 -0.04 7.59 7.53 2j6lD1 TRP 32 HZ2 -0.34 0.03 -0.11 -0.04 7.44 6.97 2j6lD1 TRP 32 HZ3 -0.01 0.03 -0.11 -0.04 7.13 7.00 2j6lD1 TRP 32 HH2 -0.11 0.03 -0.12 -0.04 7.19 6.95 2j6lD1 GLY 33 H 0.25 0.67 0.34 -0.55 8.43 9.14 2j6lD1 GLY 33 HA2 0.13 0.15 0.46 -0.51 4.01 4.24 2j6lD1 GLY 33 HA3 0.09 -0.03 0.35 -0.51 4.01 3.90 2j6lD1 GLY 34 H 0.05 0.10 0.02 -0.55 8.43 8.06 2j6lD1 GLY 34 HA2 0.04 -0.10 0.29 -0.51 4.01 3.74 2j6lD1 GLY 34 HA3 0.06 0.25 0.66 -0.51 4.01 4.47 2j6lD1 ARG 35 H 0.03 -0.07 0.22 -0.55 8.46 8.09 2j6lD1 ARG 35 HA 0.02 0.29 0.79 -0.75 4.34 4.68 2j6lD1 ARG 35 HB2 0.02 -0.17 0.13 -0.04 1.90 1.84 2j6lD1 ARG 35 HB3 0.02 0.06 0.19 -0.04 1.80 2.02 2j6lD1 ARG 35 HG2 0.02 0.12 -0.01 -0.04 1.67 1.76 2j6lD1 ARG 35 HG3 0.03 -0.13 -0.12 -0.04 1.67 1.40 2j6lD1 ARG 35 HD2 0.02 0.02 0.02 -0.04 3.22 3.23 2j6lD1 ARG 35 HD3 0.02 0.08 -0.02 -0.04 3.22 3.26 2j6lD1 GLY 36 H 0.02 0.44 -0.11 -0.55 8.43 8.24 2j6lD1 GLY 36 HA2 0.01 0.08 0.51 -0.51 4.01 4.11 2j6lD1 GLY 36 HA3 0.01 0.01 -0.15 -0.51 4.01 3.37 2j6lD1 GLU 37 H 0.01 0.05 0.05 -0.55 8.60 8.16 2j6lD1 GLU 37 HA 0.00 0.09 0.38 -0.75 4.29 4.01 2j6lD1 GLU 37 HB2 0.00 -0.01 0.11 -0.04 2.09 2.15 2j6lD1 GLU 37 HB3 0.00 -0.07 0.08 -0.04 1.99 1.96 2j6lD1 GLU 37 HG2 0.00 0.13 -0.21 -0.04 2.34 2.22 2j6lD1 GLU 37 HG3 0.00 0.02 0.06 -0.04 2.34 2.38 2j6lD1 VAL 38 H -0.00 0.15 0.19 -0.55 8.24 8.03 2j6lD1 VAL 38 HA -0.01 0.22 0.90 -0.75 4.13 4.48 2j6lD1 VAL 38 HB -0.01 -0.03 0.12 -0.04 2.12 2.16 2j6lD1 VAL 38 HG13 -0.03 -0.00 -0.24 -0.04 0.97 0.66 2j6lD1 VAL 38 HG23 -0.01 0.01 -0.01 -0.04 0.95 0.90 2j6lD1 ILE 39 H -0.02 0.71 0.38 -0.55 8.25 8.78 2j6lD1 ILE 39 HA 0.00 0.13 0.82 -0.75 4.18 4.38 2j6lD1 ILE 39 HB -0.00 -0.05 -0.03 -0.04 1.89 1.77 2j6lD1 ILE 39 HG12 0.01 0.12 -0.24 -0.04 1.49 1.34 2j6lD1 ILE 39 HG13 0.02 -0.01 0.07 -0.04 1.21 1.25 2j6lD1 ILE 39 HG23 -0.02 0.03 -0.00 -0.04 0.93 0.90 2j6lD1 ILE 39 HD13 0.01 -0.01 -0.07 -0.04 0.88 0.78 2j6lD1 THR 40 H 0.01 0.21 0.22 -0.55 8.28 8.18 2j6lD1 THR 40 HA -0.13 0.25 0.99 -0.75 4.39 4.75 2j6lD1 THR 40 HB -0.03 -0.03 0.13 -0.04 4.32 4.35 2j6lD1 THR 40 HG23 -0.48 0.02 -0.07 -0.04 1.22 0.65 2j6lD1 THR 41 H -0.17 0.45 0.35 -0.55 8.28 8.35 2j6lD1 THR 41 HA 0.03 0.20 1.05 -0.75 4.39 4.92 2j6lD1 THR 41 HB -0.01 0.20 0.19 -0.04 4.32 4.66 2j6lD1 THR 41 HG23 -0.02 -0.06 -0.05 -0.04 1.22 1.04 2j6lD1 TYR 42 H 0.10 0.29 0.28 -0.55 8.29 8.41 2j6lD1 TYR 42 HA -0.07 0.15 0.87 -0.75 4.56 4.75 2j6lD1 TYR 42 HB2 -0.09 -0.02 -0.01 -0.04 3.06 2.90 2j6lD1 TYR 42 HB3 -0.06 0.05 -0.25 -0.04 2.98 2.69 2j6lD1 TYR 42 HD2 -0.05 0.06 -0.32 -0.04 7.15 6.79 2j6lD1 TYR 42 HE2 -0.04 0.05 -0.04 -0.04 6.85 6.78 2j6lD1 CYS 43 H 0.03 0.63 0.26 -0.55 8.50 8.86 2j6lD1 CYS 43 HA 0.06 0.44 0.86 -0.75 4.58 5.19 2j6lD1 CYS 43 HB2 -0.03 0.02 0.13 -0.04 2.97 3.05 2j6lD1 CYS 43 HB3 0.06 -0.12 0.26 -0.04 2.97 3.13 2j6lD1 PRO 44 HA -0.04 -0.02 0.52 -0.51 4.44 4.40 2j6lD1 PRO 44 HB2 -0.11 0.10 -0.04 -0.04 2.28 2.20 2j6lD1 PRO 44 HB3 -0.14 0.20 0.15 -0.04 2.02 2.18 2j6lD1 PRO 44 HG2 0.04 -0.05 -0.08 -0.04 2.03 1.90 2j6lD1 PRO 44 HG3 0.06 0.28 -0.26 -0.04 2.03 2.07 2j6lD1 PRO 44 HD2 0.10 0.33 0.24 -0.04 3.68 4.31 2j6lD1 PRO 44 HD3 -0.02 0.36 0.27 -0.04 3.65 4.22 2j6lD1 ALA 45 H 0.15 0.16 -0.25 -0.55 8.40 7.91 2j6lD1 ALA 45 HA 0.07 0.15 0.59 -0.75 4.34 4.39 2j6lD1 ALA 45 HB3 0.16 0.01 0.08 -0.04 1.41 1.62 2j6lD1 ASN 46 H 0.15 0.11 -0.15 -0.55 8.53 8.09 2j6lD1 ASN 46 HA 0.12 0.17 0.60 -0.75 4.76 4.90 2j6lD1 ASN 46 HB2 0.13 0.02 0.11 -0.04 2.88 3.10 2j6lD1 ASN 46 HB3 0.20 0.08 -0.17 -0.04 2.79 2.86 2j6lD1 ASN 46 HD21 0.19 0.01 -0.02 -0.04 7.03 7.17 2j6lD1 ASN 46 HD22 0.32 0.03 -0.06 -0.04 7.74 8.00 2j6lD1 ASN 47 H 0.08 0.41 0.19 -0.55 8.53 8.66 2j6lD1 ASN 47 HA 0.05 0.04 0.28 -0.75 4.76 4.38 2j6lD1 ASN 47 HB2 0.03 0.18 0.02 -0.04 2.88 3.07 2j6lD1 ASN 47 HB3 -0.03 -0.05 0.19 -0.04 2.79 2.86 2j6lD1 ASN 47 HD21 -0.05 -0.00 -0.07 -0.04 7.03 6.87 2j6lD1 ASN 47 HD22 -0.07 0.00 0.01 -0.04 7.74 7.64 2j6lD1 GLU 48 H 0.10 -0.03 -0.29 -0.55 8.60 7.83 2j6lD1 GLU 48 HA 0.11 0.23 0.81 -0.75 4.29 4.68 2j6lD1 GLU 48 HB2 0.01 0.00 0.05 -0.04 2.09 2.11 2j6lD1 GLU 48 HB3 -0.01 0.00 0.08 -0.04 1.99 2.03 2j6lD1 GLU 48 HG2 0.08 0.10 -0.16 -0.04 2.34 2.32 2j6lD1 GLU 48 HG3 0.07 0.00 -0.01 -0.04 2.34 2.36 2j6lD1 PRO 49 HA -0.76 0.12 0.53 -0.51 4.44 3.82 2j6lD1 PRO 49 HB2 -0.32 -0.02 -0.08 -0.04 2.28 1.81 2j6lD1 PRO 49 HB3 -0.53 0.01 0.04 -0.04 2.02 1.50 2j6lD1 PRO 49 HG2 -0.11 0.10 -0.05 -0.04 2.03 1.92 2j6lD1 PRO 49 HG3 -0.05 0.02 -0.01 -0.04 2.03 1.95 2j6lD1 PRO 49 HD2 -0.00 0.18 0.27 -0.04 3.68 4.08 2j6lD1 PRO 49 HD3 0.12 0.16 0.23 -0.04 3.65 4.13 2j6lD1 ILE 50 H -0.35 0.70 0.46 -0.55 8.25 8.51 2j6lD1 ILE 50 HA -0.28 -0.01 0.81 -0.75 4.18 3.93 2j6lD1 ILE 50 HB -0.20 0.00 0.10 -0.04 1.89 1.75 2j6lD1 ILE 50 HG12 -0.26 -0.01 -0.09 -0.04 1.49 1.09 2j6lD1 ILE 50 HG13 -0.18 0.01 -0.04 -0.04 1.21 0.96 2j6lD1 ILE 50 HG23 -0.27 -0.01 -0.15 -0.04 0.93 0.46 2j6lD1 ILE 50 HD13 -0.08 0.03 -0.29 -0.04 0.88 0.49 2j6lD1 ALA 51 H -0.23 0.31 0.35 -0.55 8.40 8.30 2j6lD1 ALA 51 HA -0.16 0.11 0.54 -0.75 4.34 4.08 2j6lD1 ALA 51 HB3 -0.15 0.06 -0.01 -0.04 1.41 1.26 2j6lD1 ARG 52 H -0.11 0.66 0.38 -0.55 8.46 8.84 2j6lD1 ARG 52 HA -0.09 0.26 1.19 -0.75 4.34 4.94 2j6lD1 ARG 52 HB2 -0.07 -0.02 0.17 -0.04 1.90 1.94 2j6lD1 ARG 52 HB3 -0.06 -0.01 -0.01 -0.04 1.80 1.68 2j6lD1 ARG 52 HG2 -0.10 -0.01 -0.18 -0.04 1.67 1.34 2j6lD1 ARG 52 HG3 -0.10 0.03 -0.08 -0.04 1.67 1.49 2j6lD1 ARG 52 HD2 -0.05 -0.01 -0.15 -0.04 3.22 2.97 2j6lD1 ARG 52 HD3 -0.06 -0.01 -0.11 -0.04 3.22 3.01 2j6lD1 VAL 53 H -0.05 0.72 0.39 -0.55 8.24 8.75 2j6lD1 VAL 53 HA -0.04 0.28 0.91 -0.75 4.13 4.53 2j6lD1 VAL 53 HB -0.04 -0.07 0.04 -0.04 2.12 2.00 2j6lD1 VAL 53 HG13 -0.02 0.02 -0.26 -0.04 0.97 0.66 2j6lD1 VAL 53 HG23 -0.06 -0.02 -0.36 -0.04 0.95 0.47 2j6lD1 ARG 54 H -0.00 0.75 0.29 -0.55 8.46 8.94 2j6lD1 ARG 54 HA -0.00 0.08 0.68 -0.75 4.34 4.34 2j6lD1 ARG 54 HB2 0.03 -0.13 0.24 -0.04 1.90 2.00 2j6lD1 ARG 54 HB3 0.02 0.22 -0.00 -0.04 1.80 1.99 2j6lD1 ARG 54 HG2 -0.01 -0.07 -0.13 -0.04 1.67 1.42 2j6lD1 ARG 54 HG3 -0.00 0.05 -0.19 -0.04 1.67 1.48 2j6lD1 ARG 54 HD2 0.02 0.02 -0.07 -0.04 3.22 3.15 2j6lD1 ARG 54 HD3 0.00 0.05 -0.04 -0.04 3.22 3.19 2j6lD1 GLN 55 H 0.00 0.57 0.03 -0.55 8.47 8.52 2j6lD1 GLN 55 HA 0.01 0.10 0.40 -0.75 4.36 4.11 2j6lD1 GLN 55 HB2 0.00 -0.00 0.04 -0.04 2.15 2.15 2j6lD1 GLN 55 HB3 0.00 0.08 0.10 -0.04 2.02 2.16 2j6lD1 GLN 55 HG2 -0.02 -0.06 -0.20 -0.04 2.40 2.08 2j6lD1 GLN 55 HG3 -0.01 0.11 -0.03 -0.04 2.39 2.43 2j6lD1 GLN 55 HE21 -0.00 -0.06 -0.08 -0.04 6.97 6.78 2j6lD1 GLN 55 HE22 -0.02 0.02 -0.14 -0.04 7.69 7.51 2j6lD1 ALA 56 H 0.02 0.89 0.26 -0.55 8.40 9.02 2j6lD1 ALA 56 HA 0.04 -0.10 0.63 -0.75 4.34 4.16 2j6lD1 ALA 56 HB3 0.06 0.03 0.02 -0.04 1.41 1.49 2j6lD1 SER 57 H 0.03 -0.05 0.20 -0.55 8.46 8.10 2j6lD1 SER 57 HA 0.02 0.22 0.77 -0.75 4.49 4.75 2j6lD1 SER 57 HB2 0.02 0.05 0.12 -0.04 3.95 4.10 2j6lD1 SER 57 HB3 0.02 0.16 -0.20 -0.04 3.93 3.87 2j6lD1 VAL 58 H 0.03 0.22 0.12 -0.55 8.24 8.06 2j6lD1 VAL 58 HA 0.07 0.14 0.48 -0.75 4.13 4.06 2j6lD1 VAL 58 HB 0.03 -0.02 0.12 -0.04 2.12 2.21 2j6lD1 VAL 58 HG13 0.05 0.04 -0.11 -0.04 0.97 0.91 2j6lD1 VAL 58 HG23 -0.00 0.02 0.04 -0.04 0.95 0.97 2j6lD1 ALA 59 H 0.04 0.10 -0.12 -0.55 8.40 7.87 2j6lD1 ALA 59 HA 0.04 0.15 0.43 -0.75 4.34 4.20 2j6lD1 ALA 59 HB3 0.02 0.03 0.04 -0.04 1.41 1.46 2j6lD1 ASP 60 H 0.05 -0.03 -0.37 -0.55 8.40 7.50 2j6lD1 ASP 60 HA 0.01 0.11 0.36 -0.75 4.63 4.35 2j6lD1 ASP 60 HB2 0.06 0.13 0.15 -0.04 2.71 3.00 2j6lD1 ASP 60 HB3 0.03 0.11 -0.04 -0.04 2.70 2.76 2j6lD1 TYR 61 H 0.16 0.46 -0.20 -0.55 8.29 8.15 2j6lD1 TYR 61 HA 0.00 0.06 0.42 -0.75 4.56 4.28 2j6lD1 TYR 61 HB2 0.01 -0.03 0.03 -0.04 3.06 3.02 2j6lD1 TYR 61 HB3 0.01 0.10 0.15 -0.04 2.98 3.19 2j6lD1 TYR 61 HD2 0.01 -0.00 -0.11 -0.04 7.15 7.00 2j6lD1 TYR 61 HE2 0.02 0.04 -0.13 -0.04 6.85 6.75 2j6lD1 GLU 62 H 0.12 0.54 -0.11 -0.55 8.60 8.60 2j6lD1 GLU 62 HA -0.09 0.05 0.31 -0.75 4.29 3.80 2j6lD1 GLU 62 HB2 0.04 0.00 0.15 -0.04 2.09 2.23 2j6lD1 GLU 62 HB3 0.01 0.00 -0.02 -0.04 1.99 1.94 2j6lD1 GLU 62 HG2 0.18 0.08 0.04 -0.04 2.34 2.61 2j6lD1 GLU 62 HG3 0.07 -0.05 -0.03 -0.04 2.34 2.29 2j6lD1 GLU 63 H -0.03 0.57 -0.15 -0.55 8.60 8.45 2j6lD1 GLU 63 HA -0.04 0.03 0.42 -0.75 4.29 3.95 2j6lD1 GLU 63 HB2 -0.03 0.00 0.13 -0.04 2.09 2.14 2j6lD1 GLU 63 HB3 -0.05 0.00 -0.03 -0.04 1.99 1.87 2j6lD1 GLU 63 HG2 -0.02 0.00 0.02 -0.04 2.34 2.30 2j6lD1 GLU 63 HG3 -0.01 0.06 0.06 -0.04 2.34 2.41 2j6lD1 THR 64 H -0.11 0.46 -0.31 -0.55 8.28 7.76 2j6lD1 THR 64 HA -0.12 -0.00 0.43 -0.75 4.39 3.95 2j6lD1 THR 64 HB -0.16 0.06 0.13 -0.04 4.32 4.32 2j6lD1 THR 64 HG23 -0.10 -0.00 -0.12 -0.04 1.22 0.95 2j6lD1 VAL 65 H -0.32 0.58 -0.04 -0.55 8.24 7.91 2j6lD1 VAL 65 HA -0.15 0.07 0.44 -0.75 4.13 3.74 2j6lD1 VAL 65 HB -0.25 0.05 0.08 -0.04 2.12 1.95 2j6lD1 VAL 65 HG13 -0.08 0.00 -0.18 -0.04 0.97 0.68 2j6lD1 VAL 65 HG23 -0.61 0.03 -0.05 -0.04 0.95 0.28 2j6lD1 LYS 66 H -0.10 0.46 -0.22 -0.55 8.42 8.01 2j6lD1 LYS 66 HA -0.03 0.04 0.40 -0.75 4.32 3.98 2j6lD1 LYS 66 HB2 -0.04 0.10 0.16 -0.04 1.87 2.05 2j6lD1 LYS 66 HB3 -0.02 -0.04 0.03 -0.04 1.79 1.72 2j6lD1 LYS 66 HG2 -0.02 -0.02 0.01 -0.04 1.46 1.40 2j6lD1 LYS 66 HG3 -0.04 0.05 0.06 -0.04 1.46 1.48 2j6lD1 LYS 66 HD2 -0.01 -0.05 -0.04 -0.04 1.69 1.55 2j6lD1 LYS 66 HD3 -0.02 -0.01 -0.07 -0.04 1.68 1.54 2j6lD1 LYS 66 HE2 -0.01 0.01 -0.02 -0.04 2.99 2.94 2j6lD1 LYS 66 HE3 -0.00 0.01 -0.02 -0.04 2.99 2.94 2j6lD1 LYS 67 H -0.07 0.50 -0.14 -0.55 8.42 8.16 2j6lD1 LYS 67 HA -0.03 0.00 0.43 -0.75 4.32 3.97 2j6lD1 LYS 67 HB2 -0.10 0.06 0.21 -0.04 1.87 2.01 2j6lD1 LYS 67 HB3 -0.09 -0.01 0.07 -0.04 1.79 1.72 2j6lD1 LYS 67 HG2 -0.05 -0.05 0.04 -0.04 1.46 1.36 2j6lD1 LYS 67 HG3 -0.06 0.14 0.08 -0.04 1.46 1.58 2j6lD1 LYS 67 HD2 -0.07 -0.08 -0.05 -0.04 1.69 1.45 2j6lD1 LYS 67 HD3 -0.12 -0.03 -0.02 -0.04 1.68 1.46 2j6lD1 LYS 67 HE2 -0.12 0.15 0.08 -0.04 2.99 3.06 2j6lD1 LYS 67 HE3 -0.07 -0.03 -0.00 -0.04 2.99 2.85 2j6lD1 ALA 68 H -0.05 0.66 -0.06 -0.55 8.40 8.40 2j6lD1 ALA 68 HA -0.00 0.02 0.41 -0.75 4.34 4.01 2j6lD1 ALA 68 HB3 -0.01 0.01 0.06 -0.04 1.41 1.44 2j6lD1 ARG 69 H 0.01 0.56 -0.20 -0.55 8.46 8.29 2j6lD1 ARG 69 HA 0.14 0.05 0.48 -0.75 4.34 4.25 2j6lD1 ARG 69 HB2 0.02 0.06 0.14 -0.04 1.90 2.08 2j6lD1 ARG 69 HB3 0.04 -0.04 0.05 -0.04 1.80 1.81 2j6lD1 ARG 69 HG2 -0.04 -0.02 0.03 -0.04 1.67 1.59 2j6lD1 ARG 69 HG3 -0.02 0.12 0.06 -0.04 1.67 1.79 2j6lD1 ARG 69 HD2 -0.04 0.08 0.03 -0.04 3.22 3.25 2j6lD1 ARG 69 HD3 -0.03 -0.08 -0.04 -0.04 3.22 3.03 2j6lD1 GLU 70 H 0.05 0.45 -0.19 -0.55 8.60 8.37 2j6lD1 GLU 70 HA 0.10 0.03 0.54 -0.75 4.29 4.21 2j6lD1 GLU 70 HB2 0.03 0.03 0.14 -0.04 2.09 2.25 2j6lD1 GLU 70 HB3 0.02 0.10 0.21 -0.04 1.99 2.29 2j6lD1 GLU 70 HG2 0.03 -0.01 -0.11 -0.04 2.34 2.21 2j6lD1 GLU 70 HG3 0.04 -0.02 0.05 -0.04 2.34 2.37 2j6lD1 ALA 71 H 0.06 0.63 -0.09 -0.55 8.40 8.46 2j6lD1 ALA 71 HA 0.06 -0.03 0.41 -0.75 4.34 4.02 2j6lD1 ALA 71 HB3 0.01 0.02 0.01 -0.04 1.41 1.41 2j6lD1 TRP 72 H 0.31 0.45 -0.35 -0.55 7.97 7.82 2j6lD1 TRP 72 HA 0.21 0.01 0.38 -0.75 4.62 4.46 2j6lD1 TRP 72 HB2 0.09 0.01 0.08 -0.04 3.23 3.37 2j6lD1 TRP 72 HB3 0.07 0.17 0.12 -0.04 3.23 3.54 2j6lD1 TRP 72 HD1 0.23 -0.09 0.13 -0.04 7.22 7.46 2j6lD1 TRP 72 HE1 0.14 0.18 0.14 -0.04 10.20 10.62 2j6lD1 TRP 72 HE3 0.06 0.05 -0.17 -0.04 7.59 7.48 2j6lD1 TRP 72 HZ2 0.07 0.08 -0.03 -0.04 7.44 7.52 2j6lD1 TRP 72 HZ3 0.04 -0.05 -0.05 -0.04 7.13 7.03 2j6lD1 TRP 72 HH2 0.04 -0.02 -0.04 -0.04 7.19 7.13 2j6lD1 LYS 73 H 0.23 0.37 -0.30 -0.55 8.42 8.17 2j6lD1 LYS 73 HA -0.27 0.04 0.38 -0.75 4.32 3.72 2j6lD1 LYS 73 HB2 0.06 0.13 0.13 -0.04 1.87 2.15 2j6lD1 LYS 73 HB3 0.01 -0.07 0.04 -0.04 1.79 1.73 2j6lD1 LYS 73 HG2 0.27 -0.03 0.05 -0.04 1.46 1.72 2j6lD1 LYS 73 HG3 0.28 0.17 0.13 -0.04 1.46 2.00 2j6lD1 LYS 73 HD2 0.08 -0.01 0.05 -0.04 1.69 1.77 2j6lD1 LYS 73 HD3 0.10 -0.05 0.02 -0.04 1.68 1.71 2j6lD1 LYS 73 HE2 0.12 -0.03 0.00 -0.04 2.99 3.04 2j6lD1 LYS 73 HE3 0.14 0.08 -0.00 -0.04 2.99 3.16 2j6lD1 ILE 74 H 0.01 0.26 -0.23 -0.55 8.25 7.75 2j6lD1 ILE 74 HA -0.04 0.05 0.69 -0.75 4.18 4.13 2j6lD1 ILE 74 HB 0.07 0.00 0.18 -0.04 1.89 2.11 2j6lD1 ILE 74 HG12 0.03 0.07 0.08 -0.04 1.49 1.63 2j6lD1 ILE 74 HG13 0.03 0.00 0.05 -0.04 1.21 1.25 2j6lD1 ILE 74 HG23 0.05 -0.02 -0.05 -0.04 0.93 0.87 2j6lD1 ILE 74 HD13 0.00 -0.01 -0.06 -0.04 0.88 0.76 2j6lD1 TRP 75 H 0.14 0.53 0.08 -0.55 7.97 8.18 2j6lD1 TRP 75 HA -0.10 -0.01 0.34 -0.75 4.62 4.10 2j6lD1 TRP 75 HB2 -0.03 -0.06 0.07 -0.04 3.23 3.16 2j6lD1 TRP 75 HB3 -0.13 0.05 0.08 -0.04 3.23 3.18 2j6lD1 TRP 75 HD1 0.11 0.05 -0.63 -0.04 7.22 6.71 2j6lD1 TRP 75 HE1 0.07 0.16 0.04 -0.04 10.20 10.43 2j6lD1 TRP 75 HE3 -0.02 -0.04 0.01 -0.04 7.59 7.50 2j6lD1 TRP 75 HZ2 0.01 -0.03 -0.05 -0.04 7.44 7.34 2j6lD1 TRP 75 HZ3 -0.00 -0.03 -0.02 -0.04 7.13 7.04 2j6lD1 TRP 75 HH2 0.00 -0.04 0.05 -0.04 7.19 7.16 2j6lD1 ALA 76 H -0.59 0.63 -0.03 -0.55 8.40 7.86 2j6lD1 ALA 76 HA -0.43 0.12 0.48 -0.75 4.34 3.76 2j6lD1 ALA 76 HB3 -1.19 -0.01 0.13 -0.04 1.41 0.30 2j6lD1 ASP 77 H -0.29 0.28 -0.59 -0.55 8.40 7.25 2j6lD1 ASP 77 HA -0.19 0.04 0.61 -0.75 4.63 4.35 2j6lD1 ASP 77 HB2 -0.14 0.23 0.15 -0.04 2.71 2.91 2j6lD1 ASP 77 HB3 -0.11 -0.14 0.10 -0.04 2.70 2.51 2j6lD1 ILE 78 H -0.30 0.47 -0.24 -0.55 8.25 7.62 2j6lD1 ILE 78 HA -0.16 0.03 0.71 -0.75 4.18 4.00 2j6lD1 ILE 78 HB -0.55 0.18 0.17 -0.04 1.89 1.64 2j6lD1 ILE 78 HG12 -0.07 -0.06 -0.01 -0.04 1.49 1.31 2j6lD1 ILE 78 HG13 -0.09 0.17 0.01 -0.04 1.21 1.26 2j6lD1 ILE 78 HG23 -0.21 -0.01 -0.14 -0.04 0.93 0.53 2j6lD1 ILE 78 HD13 0.17 -0.03 -0.04 -0.04 0.88 0.94 2j6lD1 PRO 79 HA -0.15 0.09 0.51 -0.51 4.44 4.39 2j6lD1 PRO 79 HB2 -0.11 -0.18 0.09 -0.04 2.28 2.04 2j6lD1 PRO 79 HB3 -0.10 0.04 0.14 -0.04 2.02 2.06 2j6lD1 PRO 79 HG2 -0.08 -0.03 0.12 -0.04 2.03 2.01 2j6lD1 PRO 79 HG3 -0.09 0.08 0.14 -0.04 2.03 2.12 2j6lD1 PRO 79 HD2 -0.11 0.00 0.24 -0.04 3.68 3.77 2j6lD1 PRO 79 HD3 -0.11 0.35 0.35 -0.04 3.65 4.19 2j6lD1 ALA 80 H -0.15 0.15 0.25 -0.55 8.40 8.10 2j6lD1 ALA 80 HA -0.25 0.15 0.43 -0.75 4.34 3.92 2j6lD1 ALA 80 HB3 -0.16 0.03 0.23 -0.04 1.41 1.48 2j6lD1 PRO 81 HA -0.10 0.07 0.45 -0.51 4.44 4.36 2j6lD1 PRO 81 HB2 -0.07 -0.02 -0.05 -0.04 2.28 2.10 2j6lD1 PRO 81 HB3 -0.07 0.00 0.04 -0.04 2.02 1.95 2j6lD1 PRO 81 HG2 -0.08 -0.01 0.06 -0.04 2.03 1.96 2j6lD1 PRO 81 HG3 -0.09 0.14 0.08 -0.04 2.03 2.11 2j6lD1 PRO 81 HD2 -0.11 -0.04 -0.08 -0.04 3.68 3.41 2j6lD1 PRO 81 HD3 -0.12 0.19 0.20 -0.04 3.65 3.88 2j6lD1 LYS 82 H -0.12 0.33 -0.33 -0.55 8.42 7.75 2j6lD1 LYS 82 HA -0.05 -0.00 0.62 -0.75 4.32 4.14 2j6lD1 LYS 82 HB2 -0.13 0.23 0.08 -0.04 1.87 2.01 2j6lD1 LYS 82 HB3 -0.07 -0.01 0.01 -0.04 1.79 1.69 2j6lD1 LYS 82 HG2 -0.04 -0.04 0.01 -0.04 1.46 1.35 2j6lD1 LYS 82 HG3 -0.07 -0.05 -0.01 -0.04 1.46 1.28 2j6lD1 LYS 82 HD2 -0.07 0.04 0.07 -0.04 1.69 1.69 2j6lD1 LYS 82 HD3 -0.05 0.03 0.03 -0.04 1.68 1.65 2j6lD1 LYS 82 HE2 -0.04 0.00 0.03 -0.04 2.99 2.94 2j6lD1 LYS 82 HE3 -0.03 -0.02 0.01 -0.04 2.99 2.92 2j6lD1 ARG 83 H -0.24 0.58 -0.05 -0.55 8.46 8.19 2j6lD1 ARG 83 HA -0.12 -0.00 0.59 -0.75 4.34 4.05 2j6lD1 ARG 83 HB2 -0.29 0.18 0.21 -0.04 1.90 1.96 2j6lD1 ARG 83 HB3 -0.35 -0.01 0.01 -0.04 1.80 1.40 2j6lD1 ARG 83 HG2 -1.58 -0.13 0.01 -0.04 1.67 -0.07 2j6lD1 ARG 83 HG3 -0.61 0.17 -0.17 -0.04 1.67 1.01 2j6lD1 ARG 83 HD2 -1.49 0.01 0.06 -0.04 3.22 1.77 2j6lD1 ARG 83 HD3 -1.27 0.21 0.05 -0.04 3.22 2.17 2j6lD1 GLY 84 H -0.08 0.57 -0.17 -0.55 8.43 8.20 2j6lD1 GLY 84 HA2 0.01 -0.02 0.35 -0.51 4.01 3.84 2j6lD1 GLY 84 HA3 -0.04 0.12 0.33 -0.51 4.01 3.92 2j6lD1 GLU 85 H -0.01 0.40 -0.23 -0.55 8.60 8.21 2j6lD1 GLU 85 HA 0.01 -0.04 0.55 -0.75 4.29 4.06 2j6lD1 GLU 85 HB2 -0.00 -0.00 0.14 -0.04 2.09 2.19 2j6lD1 GLU 85 HB3 0.01 0.25 0.19 -0.04 1.99 2.39 2j6lD1 GLU 85 HG2 0.01 -0.01 -0.01 -0.04 2.34 2.30 2j6lD1 GLU 85 HG3 0.03 0.03 -0.30 -0.04 2.34 2.06 2j6lD1 ILE 86 H 0.11 0.46 -0.28 -0.55 8.25 7.99 2j6lD1 ILE 86 HA 0.09 0.01 0.50 -0.75 4.18 4.03 2j6lD1 ILE 86 HB 0.36 0.23 0.13 -0.04 1.89 2.57 2j6lD1 ILE 86 HG12 0.24 0.24 0.12 -0.04 1.49 2.05 2j6lD1 ILE 86 HG13 0.40 -0.00 0.01 -0.04 1.21 1.58 2j6lD1 ILE 86 HG23 0.08 -0.03 -0.14 -0.04 0.93 0.81 2j6lD1 ILE 86 HD13 0.11 -0.03 -0.06 -0.04 0.88 0.87 2j6lD1 VAL 87 H 0.12 0.55 -0.14 -0.55 8.24 8.21 2j6lD1 VAL 87 HA 0.07 -0.04 0.40 -0.75 4.13 3.80 2j6lD1 VAL 87 HB 0.07 0.14 0.12 -0.04 2.12 2.40 2j6lD1 VAL 87 HG13 0.07 -0.02 -0.00 -0.04 0.97 0.98 2j6lD1 VAL 87 HG23 0.15 0.06 -0.01 -0.04 0.95 1.10 2j6lD1 ARG 88 H 0.04 0.64 -0.18 -0.55 8.46 8.40 2j6lD1 ARG 88 HA 0.02 -0.03 0.35 -0.75 4.34 3.91 2j6lD1 ARG 88 HB2 0.01 0.09 0.12 -0.04 1.90 2.08 2j6lD1 ARG 88 HB3 0.02 0.21 0.12 -0.04 1.80 2.10 2j6lD1 ARG 88 HG2 0.01 -0.07 -0.19 -0.04 1.67 1.38 2j6lD1 ARG 88 HG3 0.01 -0.05 0.01 -0.04 1.67 1.59 2j6lD1 ARG 88 HD2 0.00 -0.06 -0.03 -0.04 3.22 3.09 2j6lD1 ARG 88 HD3 0.00 0.02 -0.01 -0.04 3.22 3.19 2j6lD1 GLN 89 H 0.03 0.56 -0.23 -0.55 8.47 8.28 2j6lD1 GLN 89 HA 0.01 -0.04 0.53 -0.75 4.36 4.09 2j6lD1 GLN 89 HB2 0.03 0.21 0.16 -0.04 2.15 2.51 2j6lD1 GLN 89 HB3 0.02 -0.08 0.04 -0.04 2.02 1.96 2j6lD1 GLN 89 HG2 0.02 -0.10 0.03 -0.04 2.40 2.30 2j6lD1 GLN 89 HG3 0.02 0.23 0.09 -0.04 2.39 2.69 2j6lD1 GLN 89 HE21 0.03 -0.00 -0.05 -0.04 6.97 6.91 2j6lD1 GLN 89 HE22 0.03 0.03 -0.08 -0.04 7.69 7.62 2j6lD1 ILE 90 H 0.01 0.55 -0.14 -0.55 8.25 8.13 2j6lD1 ILE 90 HA -0.03 -0.00 0.49 -0.75 4.18 3.88 2j6lD1 ILE 90 HB -0.00 0.15 0.15 -0.04 1.89 2.14 2j6lD1 ILE 90 HG12 0.01 -0.07 0.01 -0.04 1.49 1.40 2j6lD1 ILE 90 HG13 0.02 0.21 -0.00 -0.04 1.21 1.40 2j6lD1 ILE 90 HG23 -0.13 -0.03 -0.17 -0.04 0.93 0.55 2j6lD1 ILE 90 HD13 0.05 -0.01 -0.11 -0.04 0.88 0.77 2j6lD1 GLY 91 H -0.03 0.69 -0.08 -0.55 8.43 8.47 2j6lD1 GLY 91 HA2 -0.12 -0.07 0.45 -0.51 4.01 3.77 2j6lD1 GLY 91 HA3 -0.03 0.10 0.34 -0.51 4.01 3.91 2j6lD1 ASP 92 H -0.02 0.53 -0.18 -0.55 8.40 8.19 2j6lD1 ASP 92 HA -0.01 -0.03 0.43 -0.75 4.63 4.26 2j6lD1 ASP 92 HB2 -0.00 0.14 0.16 -0.04 2.71 2.97 2j6lD1 ASP 92 HB3 -0.00 -0.05 -0.01 -0.04 2.70 2.60 2j6lD1 ALA 93 H -0.03 0.57 -0.18 -0.55 8.40 8.22 2j6lD1 ALA 93 HA -0.01 0.01 0.48 -0.75 4.34 4.06 2j6lD1 ALA 93 HB3 -0.01 0.02 0.10 -0.04 1.41 1.48 2j6lD1 LEU 94 H -0.09 0.69 -0.08 -0.55 8.37 8.34 2j6lD1 LEU 94 HA -0.04 -0.00 0.50 -0.75 4.35 4.04 2j6lD1 LEU 94 HB2 -0.15 0.20 0.15 -0.04 1.64 1.80 2j6lD1 LEU 94 HB3 -0.11 -0.11 -0.04 -0.04 1.64 1.34 2j6lD1 LEU 94 HG -0.24 0.13 0.00 -0.04 1.64 1.49 2j6lD1 LEU 94 HD13 -1.01 -0.02 -0.18 -0.04 0.93 -0.32 2j6lD1 LEU 94 HD23 -0.10 -0.03 -0.03 -0.04 0.89 0.70 2j6lD1 ARG 95 H -0.04 0.59 -0.14 -0.55 8.46 8.32 2j6lD1 ARG 95 HA -0.01 -0.07 0.41 -0.75 4.34 3.93 2j6lD1 ARG 95 HB2 -0.01 0.21 0.22 -0.04 1.90 2.27 2j6lD1 ARG 95 HB3 -0.00 -0.05 -0.04 -0.04 1.80 1.67 2j6lD1 ARG 95 HG2 -0.00 -0.10 0.05 -0.04 1.67 1.58 2j6lD1 ARG 95 HG3 -0.01 0.11 0.05 -0.04 1.67 1.77 2j6lD1 ARG 95 HD2 -0.00 0.03 -0.01 -0.04 3.22 3.19 2j6lD1 ARG 95 HD3 0.00 -0.04 -0.01 -0.04 3.22 3.13 2j6lD1 GLU 96 H -0.01 0.46 -0.35 -0.55 8.60 8.16 2j6lD1 GLU 96 HA -0.00 0.01 0.38 -0.75 4.29 3.93 2j6lD1 GLU 96 HB2 -0.00 0.18 0.14 -0.04 2.09 2.37 2j6lD1 GLU 96 HB3 0.00 -0.07 0.08 -0.04 1.99 1.96 2j6lD1 LYS 97 H -0.00 0.42 -0.37 -0.55 8.42 7.92 2j6lD1 LYS 97 HA 0.02 0.12 0.84 -0.75 4.32 4.54 2j6lD1 LYS 97 HB2 0.02 0.09 0.09 -0.04 1.87 2.04 2j6lD1 LYS 97 HB3 0.04 -0.15 0.16 -0.04 1.79 1.79 2j6lD1 LYS 97 HG2 0.01 0.03 -0.15 -0.04 1.46 1.31 2j6lD1 LYS 97 HG3 0.02 0.02 0.00 -0.04 1.46 1.46 2j6lD1 LYS 97 HD2 0.03 0.01 0.01 -0.04 1.69 1.70 2j6lD1 LYS 97 HD3 0.03 -0.05 -0.01 -0.04 1.68 1.61 2j6lD1 LYS 97 HE2 0.01 -0.03 -0.05 -0.04 2.99 2.88 2j6lD1 LYS 97 HE3 0.01 -0.00 0.00 -0.04 2.99 2.96 2j6lD1 ILE 98 H 0.00 0.44 -0.28 -0.55 8.25 7.86 2j6lD1 ILE 98 HA 0.01 0.03 0.24 -0.75 4.18 3.71 2j6lD1 ILE 98 HB 0.00 0.16 0.14 -0.04 1.89 2.15 2j6lD1 ILE 98 HG12 0.01 -0.07 -0.08 -0.04 1.49 1.30 2j6lD1 ILE 98 HG13 0.02 -0.08 0.06 -0.04 1.21 1.17 2j6lD1 ILE 98 HG23 -0.00 0.02 0.03 -0.04 0.93 0.94 2j6lD1 ILE 98 HD13 0.02 0.02 -0.05 -0.04 0.88 0.82 2j6lD1 GLN 99 H -0.02 0.21 -0.12 -0.55 8.47 8.00 2j6lD1 GLN 99 HA -0.05 0.06 0.40 -0.75 4.36 4.02 2j6lD1 GLN 99 HB2 -0.05 0.03 0.08 -0.04 2.15 2.17 2j6lD1 GLN 99 HB3 -0.09 0.02 0.00 -0.04 2.02 1.91 2j6lD1 GLN 99 HG2 -0.02 0.00 0.03 -0.04 2.40 2.37 2j6lD1 GLN 99 HG3 -0.03 0.06 0.02 -0.04 2.39 2.39 2j6lD1 GLN 99 HE21 -0.01 -0.01 -0.04 -0.04 6.97 6.87 2j6lD1 GLN 99 HE22 -0.01 0.04 -0.03 -0.04 7.69 7.65 2j6lD1 VAL 100 H -0.02 0.16 -0.17 -0.55 8.24 7.66 2j6lD1 VAL 100 HA -0.18 0.05 0.40 -0.75 4.13 3.65 2j6lD1 VAL 100 HB 0.26 0.02 -0.05 -0.04 2.12 2.31 2j6lD1 VAL 100 HG13 0.06 -0.00 -0.00 -0.04 0.97 0.99 2j6lD1 VAL 100 HG23 0.07 0.02 -0.04 -0.04 0.95 0.97 2j6lD1 LEU 101 H 0.04 0.78 -0.09 -0.55 8.37 8.56 2j6lD1 LEU 101 HA 0.11 0.02 0.47 -0.75 4.35 4.20 2j6lD1 LEU 101 HB2 0.07 0.08 0.06 -0.04 1.64 1.81 2j6lD1 LEU 101 HB3 0.05 0.07 0.05 -0.04 1.64 1.77 2j6lD1 LEU 101 HG 0.09 -0.08 -0.16 -0.04 1.64 1.46 2j6lD1 LEU 101 HD13 0.11 -0.01 -0.01 -0.04 0.93 0.99 2j6lD1 LEU 101 HD23 0.10 0.01 -0.06 -0.04 0.89 0.90 2j6lD1 GLY 102 H 0.01 0.68 -0.15 -0.55 8.43 8.42 2j6lD1 GLY 102 HA2 0.04 0.02 0.18 -0.51 4.01 3.74 2j6lD1 GLY 102 HA3 0.01 0.06 0.10 -0.51 4.01 3.67 2j6lD1 SER 103 H -0.12 0.60 -0.23 -0.55 8.46 8.17 2j6lD1 SER 103 HA -0.11 -0.02 0.48 -0.75 4.49 4.08 2j6lD1 SER 103 HB2 -0.76 0.12 0.14 -0.04 3.95 3.41 2j6lD1 SER 103 HB3 -1.25 -0.06 0.01 -0.04 3.93 2.58 2j6lD1 LEU 104 H 0.14 0.55 -0.23 -0.55 8.37 8.29 2j6lD1 LEU 104 HA 0.41 0.01 0.53 -0.75 4.35 4.54 2j6lD1 LEU 104 HB2 0.32 0.06 0.08 -0.04 1.64 2.06 2j6lD1 LEU 104 HB3 0.16 0.17 0.14 -0.04 1.64 2.07 2j6lD1 LEU 104 HG 0.10 -0.08 -0.27 -0.04 1.64 1.36 2j6lD1 LEU 104 HD13 0.04 -0.03 -0.02 -0.04 0.93 0.87 2j6lD1 LEU 104 HD23 0.06 -0.01 -0.23 -0.04 0.89 0.67 2j6lD1 VAL 105 H 0.10 0.55 -0.15 -0.55 8.24 8.19 2j6lD1 VAL 105 HA 0.09 -0.03 0.44 -0.75 4.13 3.87 2j6lD1 VAL 105 HB 0.06 0.12 0.18 -0.04 2.12 2.44 2j6lD1 VAL 105 HG13 0.03 -0.01 -0.06 -0.04 0.97 0.88 2j6lD1 VAL 105 HG23 0.08 0.06 0.01 -0.04 0.95 1.06 2j6lD1 SER 106 H 0.11 0.50 -0.20 -0.55 8.46 8.32 2j6lD1 SER 106 HA 0.14 0.15 0.40 -0.75 4.49 4.42 2j6lD1 SER 106 HB2 0.20 0.00 0.08 -0.04 3.95 4.19 2j6lD1 SER 106 HB3 0.32 0.00 -0.17 -0.04 3.93 4.04 2j6lD1 LEU 107 H 0.20 0.43 -0.26 -0.55 8.37 8.19 2j6lD1 LEU 107 HA 0.29 0.00 0.43 -0.75 4.35 4.32 2j6lD1 LEU 107 HB2 0.19 0.06 0.10 -0.04 1.64 1.94 2j6lD1 LEU 107 HB3 0.16 0.03 0.18 -0.04 1.64 1.97 2j6lD1 LEU 107 HG -0.08 -0.01 -0.26 -0.04 1.64 1.26 2j6lD1 LEU 107 HD13 -0.32 -0.01 0.00 -0.04 0.93 0.56 2j6lD1 LEU 107 HD23 -0.23 -0.02 -0.06 -0.04 0.89 0.54 2j6lD1 GLU 108 H 0.12 0.57 0.07 -0.55 8.60 8.82 2j6lD1 GLU 108 HA 0.06 0.12 0.62 -0.75 4.29 4.33 2j6lD1 GLU 108 HB2 0.03 -0.07 0.06 -0.04 2.09 2.06 2j6lD1 GLU 108 HB3 0.08 0.00 0.09 -0.04 1.99 2.12 2j6lD1 GLU 108 HG2 0.10 0.24 0.10 -0.04 2.34 2.73 2j6lD1 GLU 108 HG3 0.01 -0.02 0.05 -0.04 2.34 2.34 2j6lD1 MET 109 H 0.13 0.40 0.07 -0.55 8.47 8.52 2j6lD1 MET 109 HA 0.35 0.12 0.90 -0.75 4.52 5.14 2j6lD1 MET 109 HB2 0.09 -0.11 0.14 -0.04 2.15 2.23 2j6lD1 MET 109 HB3 0.07 0.10 0.20 -0.04 2.03 2.36 2j6lD1 MET 109 HG2 0.00 -0.05 0.07 -0.04 2.63 2.61 2j6lD1 MET 109 HG3 -0.03 0.11 0.10 -0.04 2.56 2.69 2j6lD1 MET 109 HE3 0.04 0.01 -0.05 -0.04 2.10 2.05 2j6lD1 GLY 110 H 0.13 0.29 0.10 -0.55 8.43 8.41 2j6lD1 GLY 110 HA2 0.12 0.16 0.32 -0.51 4.01 4.10 2j6lD1 GLY 110 HA3 0.05 0.18 0.63 -0.51 4.01 4.35 2j6lD1 LYS 111 H 0.03 0.04 -0.08 -0.55 8.42 7.84 2j6lD1 LYS 111 HA -0.06 0.12 0.65 -0.75 4.32 4.28 2j6lD1 LYS 111 HB2 -0.05 -0.10 0.06 -0.04 1.87 1.73 2j6lD1 LYS 111 HB3 -0.09 0.09 0.03 -0.04 1.79 1.78 2j6lD1 LYS 111 HG2 -0.02 0.00 -0.11 -0.04 1.46 1.30 2j6lD1 LYS 111 HG3 0.00 -0.01 -0.32 -0.04 1.46 1.09 2j6lD1 LYS 111 HD2 -0.06 -0.02 -0.27 -0.04 1.69 1.30 2j6lD1 LYS 111 HD3 -0.08 -0.06 -0.17 -0.04 1.68 1.33 2j6lD1 LYS 111 HE2 -0.29 0.03 0.02 -0.04 2.99 2.71 2j6lD1 LYS 111 HE3 -0.22 -0.03 0.01 -0.04 2.99 2.72 2j6lD1 ILE 112 H -0.02 0.05 0.12 -0.55 8.25 7.85 2j6lD1 ILE 112 HA 0.02 0.27 0.37 -0.75 4.18 4.10 2j6lD1 ILE 112 HB 0.02 0.12 0.12 -0.04 1.89 2.11 2j6lD1 ILE 112 HG12 0.03 -0.08 0.09 -0.04 1.49 1.49 2j6lD1 ILE 112 HG13 0.04 -0.32 -0.14 -0.04 1.21 0.75 2j6lD1 ILE 112 HG23 -0.02 0.01 -0.22 -0.04 0.93 0.66 2j6lD1 ILE 112 HD13 0.06 0.07 0.05 -0.04 0.88 1.02 2j6lD1 LEU 113 H 0.06 0.63 0.28 -0.55 8.37 8.79 2j6lD1 LEU 113 HA 0.07 0.06 0.19 -0.75 4.35 3.92 2j6lD1 LEU 113 HB2 0.10 0.10 0.19 -0.04 1.64 1.99 2j6lD1 LEU 113 HB3 0.04 0.00 0.11 -0.04 1.64 1.75 2j6lD1 LEU 113 HG 0.01 -0.08 -0.17 -0.04 1.64 1.35 2j6lD1 LEU 113 HD13 -0.02 -0.00 -0.08 -0.04 0.93 0.80 2j6lD1 LEU 113 HD23 -0.00 0.03 -0.01 -0.04 0.89 0.87 2j6lD1 VAL 114 H 0.04 0.19 -0.14 -0.55 8.24 7.79 2j6lD1 VAL 114 HA 0.03 0.06 0.32 -0.75 4.13 3.79 2j6lD1 VAL 114 HB 0.04 0.00 0.04 -0.04 2.12 2.16 2j6lD1 VAL 114 HG13 0.02 0.02 0.02 -0.04 0.97 0.99 2j6lD1 VAL 114 HG23 0.05 0.02 -0.03 -0.04 0.95 0.95 2j6lD1 GLU 115 H 0.05 0.30 -0.37 -0.55 8.60 8.04 2j6lD1 GLU 115 HA 0.08 0.08 0.62 -0.75 4.29 4.32 2j6lD1 GLU 115 HB2 0.03 0.14 0.00 -0.04 2.09 2.22 2j6lD1 GLU 115 HB3 0.04 -0.01 -0.02 -0.04 1.99 1.96 2j6lD1 GLU 115 HG2 0.13 0.02 -0.07 -0.04 2.34 2.38 2j6lD1 GLU 115 HG3 0.08 -0.02 -0.03 -0.04 2.34 2.34 2j6lD1 GLY 116 H 0.04 0.50 -0.12 -0.55 8.43 8.31 2j6lD1 GLY 116 HA2 0.04 -0.01 0.54 -0.51 4.01 4.07 2j6lD1 GLY 116 HA3 0.04 0.19 0.32 -0.51 4.01 4.06 2j6lD1 VAL 117 H 0.03 0.70 0.03 -0.55 8.24 8.44 2j6lD1 VAL 117 HA 0.03 0.06 0.55 -0.75 4.13 4.01 2j6lD1 VAL 117 HB 0.02 0.08 0.08 -0.04 2.12 2.27 2j6lD1 VAL 117 HG13 0.02 -0.01 -0.15 -0.04 0.97 0.79 2j6lD1 VAL 117 HG23 -0.01 0.03 0.01 -0.04 0.95 0.95 2j6lD1 GLY 118 H 0.05 0.50 -0.25 -0.55 8.43 8.19 2j6lD1 GLY 118 HA2 0.06 0.01 0.41 -0.51 4.01 3.98 2j6lD1 GLY 118 HA3 0.08 0.10 0.32 -0.51 4.01 4.00 2j6lD1 GLU 119 H 0.08 0.54 -0.36 -0.55 8.60 8.31 2j6lD1 GLU 119 HA 0.10 0.00 0.52 -0.75 4.29 4.16 2j6lD1 GLU 119 HB2 0.07 0.30 0.25 -0.04 2.09 2.67 2j6lD1 GLU 119 HB3 0.07 0.03 0.05 -0.04 1.99 2.09 2j6lD1 GLU 119 HG2 0.06 -0.15 0.08 -0.04 2.34 2.28 2j6lD1 GLU 119 HG3 0.25 0.08 0.09 -0.04 2.34 2.72 2j6lD1 VAL 120 H 0.07 0.45 -0.16 -0.55 8.24 8.04 2j6lD1 VAL 120 HA 0.11 -0.01 0.38 -0.75 4.13 3.86 2j6lD1 VAL 120 HB 0.04 0.12 0.15 -0.04 2.12 2.40 2j6lD1 VAL 120 HG13 0.03 -0.00 -0.08 -0.04 0.97 0.87 2j6lD1 VAL 120 HG23 0.07 0.04 -0.05 -0.04 0.95 0.97 2j6lD1 GLN 121 H 0.06 0.52 -0.22 -0.55 8.47 8.28 2j6lD1 GLN 121 HA 0.05 0.02 0.30 -0.75 4.36 3.97 2j6lD1 GLN 121 HB2 0.04 0.04 0.06 -0.04 2.15 2.26 2j6lD1 GLN 121 HB3 0.06 0.11 0.09 -0.04 2.02 2.24 2j6lD1 GLN 121 HG2 0.04 -0.00 -0.03 -0.04 2.40 2.36 2j6lD1 GLN 121 HG3 0.05 -0.04 -0.12 -0.04 2.39 2.25 2j6lD1 GLN 121 HE21 0.02 0.04 -0.02 -0.04 6.97 6.97 2j6lD1 GLN 121 HE22 0.04 -0.05 0.01 -0.04 7.69 7.65 2j6lD1 GLU 122 H 0.09 0.52 -0.22 -0.55 8.60 8.45 2j6lD1 GLU 122 HA 0.13 -0.01 0.53 -0.75 4.29 4.19 2j6lD1 GLU 122 HB2 0.13 0.07 0.14 -0.04 2.09 2.39 2j6lD1 GLU 122 HB3 0.07 0.14 0.15 -0.04 1.99 2.31 2j6lD1 GLU 122 HG2 0.30 -0.06 -0.07 -0.04 2.34 2.48 2j6lD1 GLU 122 HG3 0.46 -0.03 -0.16 -0.04 2.34 2.57 2j6lD1 TYR 123 H 0.16 0.42 -0.17 -0.55 8.29 8.14 2j6lD1 TYR 123 HA 0.00 -0.00 0.39 -0.75 4.56 4.19 2j6lD1 TYR 123 HB2 -0.08 -0.05 0.02 -0.04 3.06 2.91 2j6lD1 TYR 123 HB3 -0.01 0.14 0.11 -0.04 2.98 3.18 2j6lD1 TYR 123 HD2 -0.01 -0.04 -0.01 -0.04 7.15 7.06 2j6lD1 TYR 123 HE2 0.01 0.02 -0.05 -0.04 6.85 6.79 2j6lD1 VAL 124 H 0.08 0.63 -0.06 -0.55 8.24 8.34 2j6lD1 VAL 124 HA -0.03 0.01 0.45 -0.75 4.13 3.80 2j6lD1 VAL 124 HB 0.03 0.08 0.16 -0.04 2.12 2.35 2j6lD1 VAL 124 HG13 0.01 -0.01 -0.11 -0.04 0.97 0.82 2j6lD1 VAL 124 HG23 -0.03 0.06 -0.04 -0.04 0.95 0.91 2j6lD1 ASP 125 H 0.09 0.60 -0.21 -0.55 8.40 8.34 2j6lD1 ASP 125 HA 0.07 -0.00 0.35 -0.75 4.63 4.29 2j6lD1 ASP 125 HB2 0.09 0.10 0.20 -0.04 2.71 3.06 2j6lD1 ASP 125 HB3 0.05 -0.10 0.03 -0.04 2.70 2.63 2j6lD1 ILE 126 H 0.17 0.60 -0.08 -0.55 8.25 8.40 2j6lD1 ILE 126 HA 0.13 0.00 0.53 -0.75 4.18 4.08 2j6lD1 ILE 126 HB 0.24 -0.03 0.08 -0.04 1.89 2.14 2j6lD1 ILE 126 HG12 0.18 -0.02 0.06 -0.04 1.49 1.67 2j6lD1 ILE 126 HG13 0.16 -0.00 -0.03 -0.04 1.21 1.30 2j6lD1 ILE 126 HG23 0.25 0.02 -0.11 -0.04 0.93 1.05 2j6lD1 ILE 126 HD13 0.00 0.00 0.01 -0.04 0.88 0.86 2j6lD1 CYS 127 H 0.16 0.57 -0.20 -0.55 8.50 8.49 2j6lD1 CYS 127 HA 0.11 0.02 0.49 -0.75 4.58 4.45 2j6lD1 CYS 127 HB2 0.04 0.20 0.24 -0.04 2.97 3.41 2j6lD1 CYS 127 HB3 0.04 0.05 -0.01 -0.04 2.97 3.01 2j6lD1 ASP 128 H 0.08 0.46 -0.11 -0.55 8.40 8.29 2j6lD1 ASP 128 HA 0.04 0.02 0.33 -0.75 4.63 4.26 2j6lD1 ASP 128 HB2 0.07 0.09 0.16 -0.04 2.71 3.00 2j6lD1 ASP 128 HB3 0.05 -0.05 0.04 -0.04 2.70 2.69 2j6lD1 TYR 129 H 0.20 0.49 -0.17 -0.55 8.29 8.25 2j6lD1 TYR 129 HA -0.00 -0.01 0.47 -0.75 4.56 4.27 2j6lD1 TYR 129 HB2 0.02 -0.02 0.10 -0.04 3.06 3.11 2j6lD1 TYR 129 HB3 0.02 0.15 0.15 -0.04 2.98 3.26 2j6lD1 TYR 129 HD2 0.00 0.01 -0.08 -0.04 7.15 7.04 2j6lD1 TYR 129 HE2 0.01 0.05 -0.06 -0.04 6.85 6.81 2j6lD1 ALA 130 H 0.14 0.59 -0.20 -0.55 8.40 8.38 2j6lD1 ALA 130 HA -0.09 -0.02 0.32 -0.75 4.34 3.79 2j6lD1 ALA 130 HB3 0.05 0.03 0.04 -0.04 1.41 1.49 2j6lD1 VAL 131 H -0.00 0.40 -0.32 -0.55 8.24 7.77 2j6lD1 VAL 131 HA -0.04 0.03 0.43 -0.75 4.13 3.80 2j6lD1 VAL 131 HB -0.02 0.12 0.12 -0.04 2.12 2.30 2j6lD1 VAL 131 HG13 -0.03 -0.02 -0.15 -0.04 0.97 0.73 2j6lD1 VAL 131 HG23 0.01 0.14 0.02 -0.04 0.95 1.08 2j6lD1 GLY 132 H -0.09 0.32 -0.12 -0.55 8.43 7.99 2j6lD1 GLY 132 HA2 -0.10 0.03 0.52 -0.51 4.01 3.95 2j6lD1 GLY 132 HA3 -0.13 0.02 0.31 -0.51 4.01 3.70 2j6lD1 LEU 133 H -0.27 0.42 -0.13 -0.55 8.37 7.85 2j6lD1 LEU 133 HA -0.30 -0.01 0.30 -0.75 4.35 3.59 2j6lD1 LEU 133 HB2 -0.49 0.05 0.07 -0.04 1.64 1.23 2j6lD1 LEU 133 HB3 -0.26 0.12 0.09 -0.04 1.64 1.55 2j6lD1 LEU 133 HG -0.48 -0.01 -0.02 -0.04 1.64 1.08 2j6lD1 LEU 133 HD13 -0.27 -0.02 -0.01 -0.04 0.93 0.59 2j6lD1 LEU 133 HD23 -0.04 -0.01 -0.04 -0.04 0.89 0.77 2j6lD1 SER 134 H -0.17 0.45 -0.43 -0.55 8.46 7.77 2j6lD1 SER 134 HA -0.21 0.06 0.31 -0.75 4.49 3.89 2j6lD1 SER 134 HB2 -0.13 0.13 0.03 -0.04 3.95 3.95 2j6lD1 SER 134 HB3 -0.10 0.08 0.15 -0.04 3.93 4.02 2j6lD1 ARG 135 H -0.15 0.46 -0.40 -0.55 8.46 7.81 2j6lD1 ARG 135 HA -0.12 0.14 0.86 -0.75 4.34 4.47 2j6lD1 ARG 135 HB2 -0.10 0.10 0.12 -0.04 1.90 1.98 2j6lD1 ARG 135 HB3 -0.08 -0.07 0.18 -0.04 1.80 1.78 2j6lD1 ARG 135 HG2 -0.08 -0.02 0.01 -0.04 1.67 1.54 2j6lD1 ARG 135 HG3 -0.09 0.09 -0.02 -0.04 1.67 1.61 2j6lD1 ARG 135 HD2 -0.06 -0.02 0.03 -0.04 3.22 3.14 2j6lD1 ARG 135 HD3 -0.06 -0.04 0.04 -0.04 3.22 3.12 2j6lD1 MET 136 H -0.24 0.49 -0.16 -0.55 8.47 8.02 2j6lD1 MET 136 HA -0.13 0.14 0.86 -0.75 4.52 4.64 2j6lD1 MET 136 HB2 -0.26 0.05 0.07 -0.04 2.15 1.97 2j6lD1 MET 136 HB3 -0.15 -0.08 -0.04 -0.04 2.03 1.72 2j6lD1 MET 136 HG2 -0.10 -0.03 -0.14 -0.04 2.63 2.32 2j6lD1 MET 136 HG3 -0.15 0.11 -0.23 -0.04 2.56 2.25 2j6lD1 MET 136 HE3 -0.11 -0.05 -0.13 -0.04 2.10 1.78 2j6lD1 ILE 137 H -0.43 0.34 0.15 -0.55 8.25 7.76 2j6lD1 ILE 137 HA -1.00 -0.05 0.32 -0.75 4.18 2.70 2j6lD1 ILE 137 HB -1.31 -0.01 -0.06 -0.04 1.89 0.46 2j6lD1 ILE 137 HG12 -0.39 0.04 0.04 -0.04 1.49 1.14 2j6lD1 ILE 137 HG13 -0.32 -0.01 -0.02 -0.04 1.21 0.81 2j6lD1 ILE 137 HG23 -1.39 0.04 -0.03 -0.04 0.93 -0.50 2j6lD1 ILE 137 HD13 -0.24 0.01 -0.11 -0.04 0.88 0.50 2j6lD1 GLY 138 H -0.42 0.20 0.24 -0.55 8.43 7.91 2j6lD1 GLY 138 HA2 0.24 -0.01 0.35 -0.51 4.01 4.07 2j6lD1 GLY 138 HA3 0.06 0.15 0.57 -0.51 4.01 4.28 2j6lD1 GLY 139 H 0.31 0.25 0.24 -0.55 8.43 8.69 2j6lD1 GLY 139 HA2 0.35 0.12 0.86 -0.51 4.01 4.83 2j6lD1 GLY 139 HA3 0.51 0.06 0.29 -0.51 4.01 4.36 2j6lD1 PRO 140 HA 0.09 0.08 0.59 -0.51 4.44 4.68 2j6lD1 PRO 140 HB2 0.07 0.05 -0.20 -0.04 2.28 2.16 2j6lD1 PRO 140 HB3 0.08 0.03 0.07 -0.04 2.02 2.15 2j6lD1 PRO 140 HG2 0.10 -0.03 0.06 -0.04 2.03 2.11 2j6lD1 PRO 140 HG3 0.10 0.03 0.04 -0.04 2.03 2.17 2j6lD1 PRO 140 HD2 0.26 0.10 0.24 -0.04 3.68 4.24 2j6lD1 PRO 140 HD3 0.19 0.15 0.19 -0.04 3.65 4.13 2j6lD1 ILE 141 H 0.06 0.17 0.24 -0.55 8.25 8.16 2j6lD1 ILE 141 HA 0.05 0.14 1.07 -0.75 4.18 4.69 2j6lD1 ILE 141 HB 0.04 0.00 0.16 -0.04 1.89 2.05 2j6lD1 ILE 141 HG12 0.04 0.00 -0.11 -0.04 1.49 1.38 2j6lD1 ILE 141 HG13 0.04 0.18 0.16 -0.04 1.21 1.55 2j6lD1 ILE 141 HG23 0.03 -0.01 0.12 -0.04 0.93 1.03 2j6lD1 ILE 141 HD13 0.03 -0.03 0.02 -0.04 0.88 0.85 2j6lD1 LEU 142 H 0.04 0.65 0.28 -0.55 8.37 8.79 2j6lD1 LEU 142 HA 0.04 0.15 0.62 -0.75 4.35 4.41 2j6lD1 LEU 142 HB2 0.03 -0.04 -0.09 -0.04 1.64 1.50 2j6lD1 LEU 142 HB3 0.03 0.05 -0.06 -0.04 1.64 1.61 2j6lD1 LEU 142 HG 0.05 0.01 -0.33 -0.04 1.64 1.32 2j6lD1 LEU 142 HD13 0.03 -0.01 -0.12 -0.04 0.93 0.79 2j6lD1 LEU 142 HD23 0.04 0.01 -0.10 -0.04 0.89 0.80 2j6lD1 PRO 143 HA 0.04 0.07 0.70 -0.51 4.44 4.73 2j6lD1 PRO 143 HB2 0.02 0.05 0.03 -0.04 2.28 2.34 2j6lD1 PRO 143 HB3 0.03 0.02 0.09 -0.04 2.02 2.11 2j6lD1 PRO 143 HG2 0.02 0.01 0.13 -0.04 2.03 2.14 2j6lD1 PRO 143 HG3 0.02 0.03 0.09 -0.04 2.03 2.13 2j6lD1 PRO 143 HD2 0.02 0.07 0.17 -0.04 3.68 3.90 2j6lD1 PRO 143 HD3 0.03 0.17 0.21 -0.04 3.65 4.02 2j6lD1 SER 144 H 0.05 0.19 0.21 -0.55 8.46 8.36 2j6lD1 SER 144 HA 0.01 0.06 0.51 -0.75 4.49 4.31 2j6lD1 SER 144 HB2 0.04 0.01 -0.13 -0.04 3.95 3.83 2j6lD1 SER 144 HB3 0.05 0.25 0.07 -0.04 3.93 4.25 2j6lD1 GLU 145 H -0.03 0.14 0.13 -0.55 8.60 8.29 2j6lD1 GLU 145 HA -0.02 0.14 0.61 -0.75 4.29 4.27 2j6lD1 GLU 145 HB2 -0.03 -0.01 0.11 -0.04 2.09 2.12 2j6lD1 GLU 145 HB3 -0.02 0.04 0.11 -0.04 1.99 2.07 2j6lD1 GLU 145 HG2 -0.06 -0.05 0.00 -0.04 2.34 2.18 2j6lD1 GLU 145 HG3 -0.07 -0.00 -0.31 -0.04 2.34 1.91 2j6lD1 ARG 146 H -0.09 0.02 -0.40 -0.55 8.46 7.45 2j6lD1 ARG 146 HA -0.13 0.12 0.71 -0.75 4.34 4.29 2j6lD1 ARG 146 HB2 -0.53 -0.03 -0.00 -0.04 1.90 1.30 2j6lD1 ARG 146 HB3 -0.65 0.08 -0.04 -0.04 1.80 1.15 2j6lD1 ARG 146 HG2 -0.23 0.04 -0.09 -0.04 1.67 1.35 2j6lD1 ARG 146 HG3 -0.19 -0.11 -0.08 -0.04 1.67 1.25 2j6lD1 ARG 146 HD2 -0.53 -0.01 -0.07 -0.04 3.22 2.57 2j6lD1 ARG 146 HD3 -0.52 0.03 -0.05 -0.04 3.22 2.63 2j6lD1 SER 147 H -0.04 0.12 0.12 -0.55 8.46 8.11 2j6lD1 SER 147 HA 0.02 0.07 0.46 -0.75 4.49 4.28 2j6lD1 SER 147 HB2 -0.00 0.04 0.12 -0.04 3.95 4.07 2j6lD1 SER 147 HB3 0.00 -0.01 0.10 -0.04 3.93 3.98 2j6lD1 GLY 148 H 0.00 0.15 0.18 -0.55 8.43 8.21 2j6lD1 GLY 148 HA2 -0.48 0.02 0.31 -0.51 4.01 3.34 2j6lD1 GLY 148 HA3 -0.29 0.01 0.39 -0.51 4.01 3.61 2j6lD1 HIS 149 H 0.02 0.35 -0.18 -0.55 8.41 8.06 2j6lD1 HIS 149 HA -0.25 0.22 1.15 -0.75 4.63 4.99 2j6lD1 HIS 149 HB2 -0.06 0.03 -0.03 -0.04 3.26 3.16 2j6lD1 HIS 149 HB3 -0.03 0.04 -0.08 -0.04 3.20 3.09 2j6lD1 HIS 149 HD2 -0.04 -0.01 -0.17 -0.04 6.97 6.69 2j6lD1 HIS 149 HE1 -0.08 -0.01 -0.07 -0.04 7.75 7.54 2j6lD1 ALA 150 H 0.22 0.59 0.36 -0.55 8.40 9.01 2j6lD1 ALA 150 HA 0.16 0.16 0.93 -0.75 4.34 4.84 2j6lD1 ALA 150 HB3 0.14 0.01 0.07 -0.04 1.41 1.58 2j6lD1 LEU 151 H 0.07 0.35 0.21 -0.55 8.37 8.45 2j6lD1 LEU 151 HA 0.05 0.31 0.97 -0.75 4.35 4.92 2j6lD1 LEU 151 HB2 0.04 -0.07 -0.13 -0.04 1.64 1.43 2j6lD1 LEU 151 HB3 0.04 0.10 -0.00 -0.04 1.64 1.73 2j6lD1 LEU 151 HG 0.02 0.01 -0.24 -0.04 1.64 1.40 2j6lD1 LEU 151 HD13 0.01 0.03 -0.13 -0.04 0.93 0.80 2j6lD1 LEU 151 HD23 0.01 -0.02 -0.19 -0.04 0.89 0.65 2j6lD1 ILE 152 H 0.03 0.68 0.36 -0.55 8.25 8.76 2j6lD1 ILE 152 HA 0.04 0.16 1.10 -0.75 4.18 4.74 2j6lD1 ILE 152 HB 0.04 0.00 -0.01 -0.04 1.89 1.88 2j6lD1 ILE 152 HG12 0.03 0.01 -0.01 -0.04 1.49 1.47 2j6lD1 ILE 152 HG13 0.02 -0.03 -0.15 -0.04 1.21 1.01 2j6lD1 ILE 152 HG23 0.04 0.02 -0.19 -0.04 0.93 0.75 2j6lD1 ILE 152 HD13 0.02 0.01 -0.10 -0.04 0.88 0.77 2j6lD1 GLU 153 H 0.06 0.74 0.24 -0.55 8.60 9.09 2j6lD1 GLU 153 HA -0.05 0.27 1.17 -0.75 4.29 4.92 2j6lD1 GLU 153 HB2 0.04 -0.08 0.10 -0.04 2.09 2.11 2j6lD1 GLU 153 HB3 0.14 -0.03 0.20 -0.04 1.99 2.26 2j6lD1 GLU 153 HG2 -0.13 0.04 -0.27 -0.04 2.34 1.94 2j6lD1 GLU 153 HG3 -0.20 0.05 0.00 -0.04 2.34 2.16 2j6lD1 GLN 154 H -0.12 0.52 0.27 -0.55 8.47 8.60 2j6lD1 GLN 154 HA 0.11 0.12 0.81 -0.75 4.36 4.65 2j6lD1 GLN 154 HB2 -0.04 -0.04 0.06 -0.04 2.15 2.08 2j6lD1 GLN 154 HB3 0.02 0.10 -0.05 -0.04 2.02 2.05 2j6lD1 GLN 154 HG2 0.03 -0.07 -0.26 -0.04 2.40 2.06 2j6lD1 GLN 154 HG3 0.01 -0.03 -0.09 -0.04 2.39 2.24 2j6lD1 GLN 154 HE21 0.03 0.03 -0.01 -0.04 6.97 6.99 2j6lD1 GLN 154 HE22 0.03 -0.03 -0.04 -0.04 7.69 7.60 2j6lD1 TRP 155 H 0.32 0.23 0.19 -0.55 7.97 8.15 2j6lD1 TRP 155 HA 0.13 0.36 0.82 -0.75 4.62 5.19 2j6lD1 TRP 155 HB2 0.21 -0.04 0.00 -0.04 3.23 3.36 2j6lD1 TRP 155 HB3 0.34 0.07 -0.12 -0.04 3.23 3.48 2j6lD1 TRP 155 HD1 0.20 -0.09 -0.45 -0.04 7.22 6.84 2j6lD1 TRP 155 HE1 0.15 -0.05 -0.22 -0.04 10.20 10.04 2j6lD1 TRP 155 HE3 0.19 0.03 -0.39 -0.04 7.59 7.38 2j6lD1 TRP 155 HZ2 -0.04 -0.05 -0.06 -0.04 7.44 7.25 2j6lD1 TRP 155 HZ3 -0.03 0.28 -0.09 -0.04 7.13 7.25 2j6lD1 TRP 155 HH2 -0.11 -0.02 -0.04 -0.04 7.19 6.97 2j6lD1 ASN 156 H 0.27 0.50 0.26 -0.55 8.53 9.00 2j6lD1 ASN 156 HA 0.20 0.22 0.84 -0.75 4.76 5.26 2j6lD1 ASN 156 HB2 0.13 -0.04 0.02 -0.04 2.88 2.94 2j6lD1 ASN 156 HB3 0.19 0.12 0.08 -0.04 2.79 3.14 2j6lD1 ASN 156 HD21 0.05 -0.07 -0.14 -0.04 7.03 6.83 2j6lD1 ASN 156 HD22 0.05 -0.01 -0.21 -0.04 7.74 7.53 2j6lD1 PRO 157 HA 0.29 0.18 0.59 -0.51 4.44 5.00 2j6lD1 PRO 157 HB2 0.63 -0.15 -0.09 -0.04 2.28 2.63 2j6lD1 PRO 157 HB3 0.40 0.10 -0.16 -0.04 2.02 2.31 2j6lD1 PRO 157 HG2 0.61 -0.08 0.13 -0.04 2.03 2.65 2j6lD1 PRO 157 HG3 0.24 0.13 0.22 -0.04 2.03 2.59 2j6lD1 PRO 157 HD2 0.22 -0.01 0.29 -0.04 3.68 4.13 2j6lD1 PRO 157 HD3 0.17 0.22 0.24 -0.04 3.65 4.24 2j6lD1 VAL 158 H 0.21 0.38 0.15 -0.55 8.24 8.43 2j6lD1 VAL 158 HA 0.06 0.13 0.69 -0.75 4.13 4.25 2j6lD1 VAL 158 HB 0.03 -0.03 -0.10 -0.04 2.12 1.98 2j6lD1 VAL 158 HG13 0.12 0.02 -0.32 -0.04 0.97 0.75 2j6lD1 VAL 158 HG23 0.10 0.03 -0.24 -0.04 0.95 0.80 2j6lD1 GLY 159 H 0.08 0.15 -0.15 -0.55 8.43 7.97 2j6lD1 GLY 159 HA2 -1.34 0.06 0.24 -0.51 4.01 2.45 2j6lD1 GLY 159 HA3 -0.59 0.15 0.89 -0.51 4.01 3.96 2j6lD1 LEU 160 H -0.19 0.22 0.16 -0.55 8.37 8.01 2j6lD1 LEU 160 HA 0.04 0.23 0.88 -0.75 4.35 4.74 2j6lD1 LEU 160 HB2 -0.04 -0.02 0.04 -0.04 1.64 1.58 2j6lD1 LEU 160 HB3 -0.05 0.17 0.31 -0.04 1.64 2.03 2j6lD1 LEU 160 HG 0.04 -0.09 -0.34 -0.04 1.64 1.21 2j6lD1 LEU 160 HD13 0.05 0.01 -0.29 -0.04 0.93 0.66 2j6lD1 LEU 160 HD23 -0.01 0.02 -0.15 -0.04 0.89 0.71 2j6lD1 VAL 161 H 0.11 0.83 0.27 -0.55 8.24 8.90 2j6lD1 VAL 161 HA 0.10 0.23 0.89 -0.75 4.13 4.59 2j6lD1 VAL 161 HB 0.17 0.03 0.13 -0.04 2.12 2.41 2j6lD1 VAL 161 HG13 0.21 -0.03 -0.21 -0.04 0.97 0.89 2j6lD1 VAL 161 HG23 0.22 0.01 -0.12 -0.04 0.95 1.02 2j6lD1 GLY 162 H 0.10 0.54 0.23 -0.55 8.43 8.75 2j6lD1 GLY 162 HA2 0.15 0.15 0.92 -0.51 4.01 4.72 2j6lD1 GLY 162 HA3 0.14 -0.02 0.34 -0.51 4.01 3.96 2j6lD1 ILE 163 H 0.23 0.69 0.33 -0.55 8.25 8.94 2j6lD1 ILE 163 HA 0.16 0.28 0.93 -0.75 4.18 4.79 2j6lD1 ILE 163 HB 0.23 -0.08 0.07 -0.04 1.89 2.07 2j6lD1 ILE 163 HG12 0.11 0.03 -0.21 -0.04 1.49 1.38 2j6lD1 ILE 163 HG13 0.15 0.04 -0.65 -0.04 1.21 0.70 2j6lD1 ILE 163 HG23 0.06 -0.03 -0.20 -0.04 0.93 0.72 2j6lD1 ILE 163 HD13 -0.03 -0.00 -0.19 -0.04 0.88 0.62 2j6lD1 ILE 164 H 0.16 0.83 0.33 -0.55 8.25 9.02 2j6lD1 ILE 164 HA 0.21 0.31 0.97 -0.75 4.18 4.92 2j6lD1 ILE 164 HB 0.24 -0.01 0.16 -0.04 1.89 2.24 2j6lD1 ILE 164 HG12 0.18 0.02 0.02 -0.04 1.49 1.67 2j6lD1 ILE 164 HG13 0.21 0.01 -0.20 -0.04 1.21 1.18 2j6lD1 ILE 164 HG23 0.09 -0.00 -0.10 -0.04 0.93 0.87 2j6lD1 ILE 164 HD13 0.25 -0.01 -0.05 -0.04 0.88 1.03 2j6lD1 THR 165 H 0.17 0.40 0.26 -0.55 8.28 8.56 2j6lD1 THR 165 HA -0.04 0.17 1.02 -0.75 4.39 4.79 2j6lD1 THR 165 HB 0.13 -0.02 0.03 -0.04 4.32 4.41 2j6lD1 THR 165 HG23 0.13 0.01 -0.37 -0.04 1.22 0.94 2j6lD1 ALA 166 H -0.05 0.10 0.12 -0.55 8.40 8.02 2j6lD1 ALA 166 HA -0.03 0.13 0.72 -0.75 4.34 4.40 2j6lD1 ALA 166 HB3 -0.15 0.02 -0.01 -0.04 1.41 1.23 2j6lD1 PHE 167 H 0.09 0.15 0.17 -0.55 8.34 8.20 2j6lD1 PHE 167 HA -0.06 0.06 0.40 -0.75 4.62 4.26 2j6lD1 PHE 167 HB2 -0.38 0.09 0.08 -0.04 3.15 2.90 2j6lD1 PHE 167 HB3 -0.05 -0.09 0.15 -0.04 3.06 3.03 2j6lD1 PHE 167 HD2 -0.38 -0.01 -0.08 -0.04 7.28 6.77 2j6lD1 PHE 167 HE2 0.00 0.06 0.02 -0.04 7.38 7.42 2j6lD1 PHE 167 HZ 0.37 0.10 0.04 -0.04 7.32 7.80 2j6lD1 ASN 168 H -0.57 -0.02 -0.34 -0.55 8.53 7.05 2j6lD1 ASN 168 HA -0.40 0.20 0.09 -0.75 4.76 3.89 2j6lD1 ASN 168 HB2 -0.35 0.30 0.14 -0.04 2.88 2.93 2j6lD1 ASN 168 HB3 -1.21 -0.05 0.04 -0.04 2.79 1.54 2j6lD1 ASN 168 HD21 0.38 -0.18 -0.07 -0.04 7.03 7.12 2j6lD1 ASN 168 HD22 0.23 0.57 0.10 -0.04 7.74 8.60 2j6lD1 PHE 169 H -0.05 0.05 -0.26 -0.55 8.34 7.53 2j6lD1 PHE 169 HA -0.09 0.21 0.65 -0.75 4.62 4.63 2j6lD1 PHE 169 HB2 -0.17 -0.00 0.12 -0.04 3.15 3.05 2j6lD1 PHE 169 HB3 -0.28 -0.20 0.17 -0.04 3.06 2.71 2j6lD1 PHE 169 HD2 -0.08 -0.09 -0.05 -0.04 7.28 7.02 2j6lD1 PHE 169 HE2 0.03 -0.08 -0.00 -0.04 7.38 7.28 2j6lD1 PHE 169 HZ 0.02 0.01 -0.05 -0.04 7.32 7.26 2j6lD1 PRO 170 HA 0.13 0.13 0.24 -0.51 4.44 4.43 2j6lD1 PRO 170 HB2 0.11 -0.01 0.02 -0.04 2.28 2.36 2j6lD1 PRO 170 HB3 0.07 0.10 0.09 -0.04 2.02 2.23 2j6lD1 PRO 170 HG2 0.05 -0.03 -0.02 -0.04 2.03 1.99 2j6lD1 PRO 170 HG3 0.03 0.11 0.06 -0.04 2.03 2.19 2j6lD1 PRO 170 HD2 -0.09 0.10 -0.02 -0.04 3.68 3.63 2j6lD1 PRO 170 HD3 -0.10 0.37 -0.27 -0.04 3.65 3.61 2j6lD1 VAL 171 H 0.05 -0.02 -0.39 -0.55 8.24 7.33 2j6lD1 VAL 171 HA 0.17 0.28 0.92 -0.75 4.13 4.75 2j6lD1 VAL 171 HB 0.07 -0.05 -0.06 -0.04 2.12 2.04 2j6lD1 VAL 171 HG13 0.20 0.01 -0.21 -0.04 0.97 0.93 2j6lD1 VAL 171 HG23 0.15 0.02 -0.15 -0.04 0.95 0.92 2j6lD1 ALA 172 H -0.10 0.03 -0.05 -0.55 8.40 7.73 2j6lD1 ALA 172 HA -0.44 0.11 0.16 -0.75 4.34 3.41 2j6lD1 ALA 172 HB3 -0.46 0.04 0.05 -0.04 1.41 0.99 2j6lD1 VAL 173 H -0.47 0.24 -0.09 -0.55 8.24 7.37 2j6lD1 VAL 173 HA -1.08 0.10 0.42 -0.75 4.13 2.82 2j6lD1 VAL 173 HB -0.16 0.05 0.08 -0.04 2.12 2.05 2j6lD1 VAL 173 HG13 -0.01 0.02 -0.17 -0.04 0.97 0.77 2j6lD1 VAL 173 HG23 -0.28 -0.01 0.02 -0.04 0.95 0.63 2j6lD1 TYR 174 H -0.22 0.12 -0.32 -0.55 8.29 7.32 2j6lD1 TYR 174 HA -0.49 0.08 0.33 -0.75 4.56 3.72 2j6lD1 TYR 174 HB2 -1.06 -0.03 -0.04 -0.04 3.06 1.89 2j6lD1 TYR 174 HB3 -0.82 0.11 -0.03 -0.04 2.98 2.20 2j6lD1 TYR 174 HD2 -1.00 0.00 -0.13 -0.04 7.15 5.98 2j6lD1 TYR 174 HE2 -0.22 0.04 -0.15 -0.04 6.85 6.48 2j6lD1 GLY 175 H -0.70 0.41 -0.29 -0.55 8.43 7.31 2j6lD1 GLY 175 HA2 -1.81 0.02 0.31 -0.51 4.01 2.02 2j6lD1 GLY 175 HA3 -1.51 0.03 0.25 -0.51 4.01 2.27 2j6lD1 TRP 176 H -0.58 0.62 -0.11 -0.55 7.97 7.35 2j6lD1 TRP 176 HA -0.16 0.01 0.38 -0.75 4.62 4.09 2j6lD1 TRP 176 HB2 -0.13 0.09 0.07 -0.04 3.23 3.22 2j6lD1 TRP 176 HB3 -0.09 -0.10 0.01 -0.04 3.23 3.01 2j6lD1 TRP 176 HD1 -0.12 -0.01 -0.06 -0.04 7.22 6.99 2j6lD1 TRP 176 HE1 -0.15 -0.05 -0.11 -0.04 10.20 9.85 2j6lD1 TRP 176 HE3 -0.10 0.06 -0.05 -0.04 7.59 7.46 2j6lD1 TRP 176 HZ2 -0.42 -0.01 -0.13 -0.04 7.44 6.84 2j6lD1 TRP 176 HZ3 -0.30 -0.00 -0.10 -0.04 7.13 6.68 2j6lD1 TRP 176 HH2 -0.91 -0.03 -0.12 -0.04 7.19 6.10 2j6lD1 ASN 177 H -0.12 0.40 -0.26 -0.55 8.53 8.00 2j6lD1 ASN 177 HA 0.01 0.04 0.46 -0.75 4.76 4.52 2j6lD1 ASN 177 HB2 -0.21 0.09 0.11 -0.04 2.88 2.83 2j6lD1 ASN 177 HB3 0.00 0.02 -0.10 -0.04 2.79 2.67 2j6lD1 ASN 177 HD21 0.16 -0.09 -0.12 -0.04 7.03 6.95 2j6lD1 ASN 177 HD22 0.00 0.49 -0.01 -0.04 7.74 8.18 2j6lD1 ASN 178 H -0.61 0.65 -0.06 -0.55 8.53 7.97 2j6lD1 ASN 178 HA -0.28 0.06 0.35 -0.75 4.76 4.13 2j6lD1 ASN 178 HB2 -1.41 -0.02 -0.01 -0.04 2.88 1.39 2j6lD1 ASN 178 HB3 -0.66 -0.01 0.11 -0.04 2.79 2.19 2j6lD1 ASN 178 HD21 0.02 0.01 -0.10 -0.04 7.03 6.93 2j6lD1 ASN 178 HD22 -0.13 -0.00 -0.06 -0.04 7.74 7.51 2j6lD1 ALA 179 H -0.16 0.60 -0.05 -0.55 8.40 8.24 2j6lD1 ALA 179 HA 0.05 0.01 0.30 -0.75 4.34 3.95 2j6lD1 ALA 179 HB3 0.10 0.00 -0.02 -0.04 1.41 1.45 2j6lD1 ILE 180 H -0.11 0.33 -0.27 -0.55 8.25 7.65 2j6lD1 ILE 180 HA -0.06 0.04 0.47 -0.75 4.18 3.87 2j6lD1 ILE 180 HB -0.47 0.08 0.12 -0.04 1.89 1.57 2j6lD1 ILE 180 HG12 -0.00 0.05 0.12 -0.04 1.49 1.61 2j6lD1 ILE 180 HG13 0.01 -0.04 0.07 -0.04 1.21 1.21 2j6lD1 ILE 180 HG23 -0.19 -0.00 -0.12 -0.04 0.93 0.57 2j6lD1 ILE 180 HD13 0.12 -0.02 -0.05 -0.04 0.88 0.89 2j6lD1 ALA 181 H -0.29 0.64 -0.08 -0.55 8.40 8.12 2j6lD1 ALA 181 HA -0.02 0.02 0.28 -0.75 4.34 3.87 2j6lD1 ALA 181 HB3 0.09 -0.02 0.03 -0.04 1.41 1.47 2j6lD1 MET 182 H 0.04 0.55 -0.32 -0.55 8.47 8.19 2j6lD1 MET 182 HA 0.46 0.22 0.35 -0.75 4.52 4.80 2j6lD1 MET 182 HB2 0.15 0.00 0.11 -0.04 2.15 2.37 2j6lD1 MET 182 HB3 0.44 0.00 -0.06 -0.04 2.03 2.37 2j6lD1 MET 182 HG2 0.01 0.00 -0.01 -0.04 2.63 2.59 2j6lD1 MET 182 HG3 0.04 0.00 0.00 -0.04 2.56 2.56 2j6lD1 MET 182 HE3 -0.12 -0.01 -0.11 -0.04 2.10 1.82 2j6lD1 ILE 183 H 0.07 0.43 -0.09 -0.55 8.25 8.12 2j6lD1 ILE 183 HA 0.00 0.01 0.28 -0.75 4.18 3.72 2j6lD1 ILE 183 HB -0.10 -0.04 0.08 -0.04 1.89 1.79 2j6lD1 ILE 183 HG12 -0.04 0.07 0.12 -0.04 1.49 1.60 2j6lD1 ILE 183 HG13 -0.06 0.15 0.01 -0.04 1.21 1.27 2j6lD1 ILE 183 HG23 0.00 0.02 -0.08 -0.04 0.93 0.84 2j6lD1 ILE 183 HD13 -0.18 0.01 -0.11 -0.04 0.88 0.55 2j6lD1 CYS 184 H 0.06 0.38 -0.42 -0.55 8.50 7.96 2j6lD1 CYS 184 HA 0.01 0.04 0.44 -0.75 4.58 4.31 2j6lD1 CYS 184 HB2 0.16 0.10 0.06 -0.04 2.97 3.25 2j6lD1 CYS 184 HB3 0.24 -0.01 -0.01 -0.04 2.97 3.15 2j6lD1 GLY 185 H 0.12 0.45 -0.43 -0.55 8.43 8.03 2j6lD1 GLY 185 HA2 -0.30 0.07 0.25 -0.51 4.01 3.52 2j6lD1 GLY 185 HA3 0.01 0.05 0.52 -0.51 4.01 4.08 2j6lD1 ASN 186 H 0.39 0.46 0.05 -0.55 8.53 8.88 2j6lD1 ASN 186 HA 0.62 0.11 0.88 -0.75 4.76 5.61 2j6lD1 ASN 186 HB2 0.28 -0.04 -0.04 -0.04 2.88 3.04 2j6lD1 ASN 186 HB3 0.25 0.08 0.07 -0.04 2.79 3.15 2j6lD1 ASN 186 HD21 0.31 0.41 0.11 -0.04 7.03 7.83 2j6lD1 ASN 186 HD22 0.27 0.08 0.13 -0.04 7.74 8.18 2j6lD1 VAL 187 H 0.44 0.36 0.32 -0.55 8.24 8.82 2j6lD1 VAL 187 HA 0.02 0.23 0.89 -0.75 4.13 4.51 2j6lD1 VAL 187 HB 0.05 0.09 0.22 -0.04 2.12 2.44 2j6lD1 VAL 187 HG13 0.21 -0.00 -0.05 -0.04 0.97 1.08 2j6lD1 VAL 187 HG23 0.17 0.02 -0.11 -0.04 0.95 0.98 2j6lD1 CYS 188 H 0.03 0.75 0.34 -0.55 8.50 9.08 2j6lD1 CYS 188 HA 0.12 0.34 1.02 -0.75 4.58 5.31 2j6lD1 CYS 188 HB2 0.12 -0.06 0.12 -0.04 2.97 3.11 2j6lD1 CYS 188 HB3 0.16 -0.07 -0.03 -0.04 2.97 2.98 2j6lD1 LEU 189 H 0.15 0.62 0.27 -0.55 8.37 8.87 2j6lD1 LEU 189 HA 0.14 0.18 0.65 -0.75 4.35 4.57 2j6lD1 LEU 189 HB2 0.06 0.06 -0.11 -0.04 1.64 1.61 2j6lD1 LEU 189 HB3 0.12 -0.02 0.05 -0.04 1.64 1.75 2j6lD1 LEU 189 HG 0.16 -0.05 -0.31 -0.04 1.64 1.40 2j6lD1 LEU 189 HD13 0.06 0.01 -0.24 -0.04 0.93 0.72 2j6lD1 LEU 189 HD23 0.03 -0.01 -0.13 -0.04 0.89 0.74 2j6lD1 TRP 190 H 0.31 0.71 0.22 -0.55 7.97 8.66 2j6lD1 TRP 190 HA 0.10 0.28 0.91 -0.75 4.62 5.16 2j6lD1 TRP 190 HB2 -0.03 0.06 0.00 -0.04 3.23 3.23 2j6lD1 TRP 190 HB3 -0.13 -0.04 0.16 -0.04 3.23 3.18 2j6lD1 TRP 190 HD1 0.03 0.29 -0.10 -0.04 7.22 7.41 2j6lD1 TRP 190 HE1 -0.04 -0.10 -0.14 -0.04 10.20 9.89 2j6lD1 TRP 190 HE3 -0.60 0.08 -0.08 -0.04 7.59 6.95 2j6lD1 TRP 190 HZ2 -0.09 0.15 0.02 -0.04 7.44 7.48 2j6lD1 TRP 190 HZ3 -0.26 0.02 0.01 -0.04 7.13 6.86 2j6lD1 TRP 190 HH2 -0.10 0.04 0.00 -0.04 7.19 7.09 2j6lD1 LYS 191 H 0.38 0.77 0.29 -0.55 8.42 9.31 2j6lD1 LYS 191 HA -0.11 0.09 0.62 -0.75 4.32 4.17 2j6lD1 LYS 191 HB2 0.10 0.03 -0.00 -0.04 1.87 1.96 2j6lD1 LYS 191 HB3 0.12 -0.05 0.18 -0.04 1.79 2.01 2j6lD1 LYS 191 HG2 -0.02 0.13 0.02 -0.04 1.46 1.56 2j6lD1 LYS 191 HG3 0.02 0.11 0.09 -0.04 1.46 1.64 2j6lD1 LYS 191 HD2 0.03 -0.14 -0.22 -0.04 1.69 1.32 2j6lD1 LYS 191 HD3 0.06 -0.04 -0.18 -0.04 1.68 1.48 2j6lD1 LYS 191 HE2 0.08 -0.13 -0.10 -0.04 2.99 2.81 2j6lD1 LYS 191 HE3 0.09 -0.03 -0.02 -0.04 2.99 2.99 2j6lD1 GLY 192 H -0.54 0.09 -0.02 -0.55 8.43 7.41 2j6lD1 GLY 192 HA2 0.08 0.05 0.62 -0.51 4.01 4.25 2j6lD1 GLY 192 HA3 -0.38 0.04 0.27 -0.51 4.01 3.43 2j6lD1 ALA 193 H 0.04 0.13 -0.01 -0.55 8.40 8.00 2j6lD1 ALA 193 HA 0.05 0.15 0.51 -0.75 4.34 4.29 2j6lD1 ALA 193 HB3 0.12 -0.02 -0.03 -0.04 1.41 1.44 2j6lD1 PRO 194 HA -0.02 0.09 0.43 -0.51 4.44 4.43 2j6lD1 PRO 194 HB2 0.02 0.02 0.03 -0.04 2.28 2.31 2j6lD1 PRO 194 HB3 0.01 0.01 0.05 -0.04 2.02 2.04 2j6lD1 PRO 194 HG2 0.03 -0.04 0.13 -0.04 2.03 2.10 2j6lD1 PRO 194 HG3 0.01 0.16 0.02 -0.04 2.03 2.19 2j6lD1 PRO 194 HD2 0.06 0.01 0.27 -0.04 3.68 3.97 2j6lD1 PRO 194 HD3 0.03 0.31 0.34 -0.04 3.65 4.29 2j6lD1 THR 195 H 0.09 0.09 -0.20 -0.55 8.28 7.70 2j6lD1 THR 195 HA 0.05 0.14 0.61 -0.75 4.39 4.43 2j6lD1 THR 195 HB 0.07 0.18 0.23 -0.04 4.32 4.75 2j6lD1 THR 195 HG23 -0.00 -0.01 0.08 -0.04 1.22 1.24 2j6lD1 THR 196 H 0.06 0.39 -0.54 -0.55 8.28 7.64 2j6lD1 THR 196 HA 0.07 0.21 0.73 -0.75 4.39 4.65 2j6lD1 THR 196 HB 0.07 -0.06 0.17 -0.04 4.32 4.45 2j6lD1 THR 196 HG23 0.15 0.06 -0.11 -0.04 1.22 1.28 2j6lD1 SER 197 H -0.02 0.39 -0.20 -0.55 8.46 8.08 2j6lD1 SER 197 HA -0.14 0.04 0.29 -0.75 4.49 3.93 2j6lD1 SER 197 HB2 -0.05 0.01 0.04 -0.04 3.95 3.91 2j6lD1 SER 197 HB3 -0.07 -0.02 -0.04 -0.04 3.93 3.76 2j6lD1 LEU 198 H -0.04 0.13 -0.24 -0.55 8.37 7.67 2j6lD1 LEU 198 HA -0.06 0.12 0.35 -0.75 4.35 4.01 2j6lD1 LEU 198 HB2 -0.04 -0.00 -0.03 -0.04 1.64 1.52 2j6lD1 LEU 198 HB3 -0.06 0.06 -0.07 -0.04 1.64 1.54 2j6lD1 LEU 198 HG -0.08 -0.07 -0.09 -0.04 1.64 1.36 2j6lD1 LEU 198 HD13 -0.12 0.01 -0.10 -0.04 0.93 0.67 2j6lD1 LEU 198 HD23 -0.10 0.01 -0.19 -0.04 0.89 0.57 2j6lD1 ILE 199 H -0.00 0.11 -0.30 -0.55 8.25 7.51 2j6lD1 ILE 199 HA 0.06 0.05 0.42 -0.75 4.18 3.96 2j6lD1 ILE 199 HB 0.05 0.16 0.09 -0.04 1.89 2.15 2j6lD1 ILE 199 HG12 0.09 0.01 -0.15 -0.04 1.49 1.39 2j6lD1 ILE 199 HG13 0.06 -0.09 -0.08 -0.04 1.21 1.06 2j6lD1 ILE 199 HG23 0.15 -0.00 -0.22 -0.04 0.93 0.81 2j6lD1 ILE 199 HD13 0.08 0.00 0.00 -0.04 0.88 0.93 2j6lD1 SER 200 H -0.15 0.38 -0.17 -0.55 8.46 7.97 2j6lD1 SER 200 HA -0.55 0.05 0.37 -0.75 4.49 3.60 2j6lD1 SER 200 HB2 -0.47 0.08 0.09 -0.04 3.95 3.61 2j6lD1 SER 200 HB3 -1.35 -0.02 -0.02 -0.04 3.93 2.49 2j6lD1 VAL 201 H -0.12 0.51 -0.12 -0.55 8.24 7.96 2j6lD1 VAL 201 HA 0.11 0.02 0.48 -0.75 4.13 3.99 2j6lD1 VAL 201 HB -0.04 0.02 0.12 -0.04 2.12 2.19 2j6lD1 VAL 201 HG13 -0.07 0.00 -0.15 -0.04 0.97 0.71 2j6lD1 VAL 201 HG23 0.01 0.02 -0.01 -0.04 0.95 0.93 2j6lD1 ALA 202 H 0.01 0.64 -0.12 -0.55 8.40 8.38 2j6lD1 ALA 202 HA 0.02 0.14 0.38 -0.75 4.34 4.12 2j6lD1 ALA 202 HB3 0.05 -0.01 0.10 -0.04 1.41 1.51 2j6lD1 VAL 203 H 0.16 0.64 -0.10 -0.55 8.24 8.39 2j6lD1 VAL 203 HA 0.18 0.00 0.42 -0.75 4.13 3.98 2j6lD1 VAL 203 HB 0.58 0.09 0.14 -0.04 2.12 2.89 2j6lD1 VAL 203 HG13 0.36 -0.01 -0.12 -0.04 0.97 1.16 2j6lD1 VAL 203 HG23 0.29 0.02 0.03 -0.04 0.95 1.24 2j6lD1 THR 204 H 0.24 0.58 -0.16 -0.55 8.28 8.40 2j6lD1 THR 204 HA 0.19 -0.00 0.38 -0.75 4.39 4.21 2j6lD1 THR 204 HB 0.26 0.12 0.15 -0.04 4.32 4.80 2j6lD1 THR 204 HG23 -0.09 -0.01 -0.09 -0.04 1.22 1.00 2j6lD1 LYS 205 H 0.19 0.61 -0.18 -0.55 8.42 8.48 2j6lD1 LYS 205 HA 0.26 -0.03 0.51 -0.75 4.32 4.31 2j6lD1 LYS 205 HB2 0.02 0.18 0.12 -0.04 1.87 2.15 2j6lD1 LYS 205 HB3 -0.01 -0.05 -0.05 -0.04 1.79 1.64 2j6lD1 LYS 205 HG2 -0.36 -0.10 0.02 -0.04 1.46 0.98 2j6lD1 LYS 205 HG3 -0.06 0.10 0.02 -0.04 1.46 1.47 2j6lD1 LYS 205 HD2 -0.11 0.01 -0.10 -0.04 1.69 1.45 2j6lD1 LYS 205 HD3 -0.16 0.03 0.02 -0.04 1.68 1.53 2j6lD1 LYS 205 HE2 -0.53 -0.08 -0.07 -0.04 2.99 2.26 2j6lD1 LYS 205 HE3 -0.26 -0.04 -0.26 -0.04 2.99 2.39 2j6lD1 ILE 206 H 0.09 0.44 -0.21 -0.55 8.25 8.03 2j6lD1 ILE 206 HA 0.03 0.03 0.47 -0.75 4.18 3.95 2j6lD1 ILE 206 HB 0.07 0.17 0.20 -0.04 1.89 2.29 2j6lD1 ILE 206 HG12 0.02 -0.01 -0.00 -0.04 1.49 1.46 2j6lD1 ILE 206 HG13 0.04 0.10 0.06 -0.04 1.21 1.37 2j6lD1 ILE 206 HG23 -0.01 -0.02 -0.22 -0.04 0.93 0.64 2j6lD1 ILE 206 HD13 0.05 -0.04 -0.05 -0.04 0.88 0.80 2j6lD1 ILE 207 H 0.09 0.51 -0.08 -0.55 8.25 8.22 2j6lD1 ILE 207 HA 0.03 0.02 0.38 -0.75 4.18 3.85 2j6lD1 ILE 207 HB 0.11 0.08 0.10 -0.04 1.89 2.14 2j6lD1 ILE 207 HG12 0.10 -0.04 -0.04 -0.04 1.49 1.48 2j6lD1 ILE 207 HG13 0.13 0.07 0.02 -0.04 1.21 1.39 2j6lD1 ILE 207 HG23 0.06 -0.01 -0.13 -0.04 0.93 0.82 2j6lD1 ILE 207 HD13 0.37 -0.02 -0.12 -0.04 0.88 1.07 2j6lD1 ALA 208 H -0.03 0.73 -0.07 -0.55 8.40 8.48 2j6lD1 ALA 208 HA -0.03 -0.01 0.44 -0.75 4.34 3.99 2j6lD1 ALA 208 HB3 -0.43 0.01 0.12 -0.04 1.41 1.06 2j6lD1 LYS 209 H 0.03 0.56 -0.23 -0.55 8.42 8.22 2j6lD1 LYS 209 HA 0.05 -0.02 0.46 -0.75 4.32 4.05 2j6lD1 LYS 209 HB2 0.03 0.03 0.12 -0.04 1.87 2.02 2j6lD1 LYS 209 HB3 0.03 0.14 0.12 -0.04 1.79 2.03 2j6lD1 LYS 209 HG2 0.03 -0.01 -0.20 -0.04 1.46 1.23 2j6lD1 LYS 209 HG3 0.03 -0.05 0.05 -0.04 1.46 1.44 2j6lD1 LYS 209 HD2 0.02 -0.01 -0.00 -0.04 1.69 1.65 2j6lD1 LYS 209 HD3 0.02 0.04 -0.01 -0.04 1.68 1.68 2j6lD1 LYS 209 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.93 2j6lD1 LYS 209 HE3 0.01 0.01 -0.04 -0.04 2.99 2.93 2j6lD1 VAL 210 H 0.02 0.41 -0.19 -0.55 8.24 7.94 2j6lD1 VAL 210 HA 0.02 0.02 0.49 -0.75 4.13 3.91 2j6lD1 VAL 210 HB 0.02 0.11 0.12 -0.04 2.12 2.33 2j6lD1 VAL 210 HG13 0.03 -0.01 -0.16 -0.04 0.97 0.79 2j6lD1 VAL 210 HG23 0.01 0.03 -0.06 -0.04 0.95 0.88 2j6lD1 LEU 211 H 0.02 0.57 -0.10 -0.55 8.37 8.32 2j6lD1 LEU 211 HA 0.01 0.03 0.29 -0.75 4.35 3.92 2j6lD1 LEU 211 HB2 0.05 0.04 0.11 -0.04 1.64 1.80 2j6lD1 LEU 211 HB3 -0.00 0.01 -0.22 -0.04 1.64 1.39 2j6lD1 LEU 211 HG -0.02 0.09 -0.03 -0.04 1.64 1.63 2j6lD1 LEU 211 HD13 -0.04 -0.01 -0.10 -0.04 0.93 0.75 2j6lD1 LEU 211 HD23 -0.18 0.00 -0.11 -0.04 0.89 0.55 2j6lD1 GLU 212 H 0.06 0.61 -0.14 -0.55 8.60 8.58 2j6lD1 GLU 212 HA 0.05 0.04 0.38 -0.75 4.29 4.02 2j6lD1 GLU 212 HB2 0.07 0.08 0.19 -0.04 2.09 2.39 2j6lD1 GLU 212 HB3 0.07 -0.07 0.06 -0.04 1.99 2.01 2j6lD1 GLU 212 HG2 0.11 -0.06 0.07 -0.04 2.34 2.42 2j6lD1 GLU 212 HG3 0.13 0.07 0.11 -0.04 2.34 2.61 2j6lD1 ASP 213 H 0.04 0.64 -0.10 -0.55 8.40 8.44 2j6lD1 ASP 213 HA 0.03 -0.02 0.43 -0.75 4.63 4.31 2j6lD1 ASP 213 HB2 0.03 0.13 0.15 -0.04 2.71 2.97 2j6lD1 ASP 213 HB3 0.03 -0.07 0.02 -0.04 2.70 2.64 2j6lD1 ASN 214 H 0.04 0.42 -0.43 -0.55 8.53 8.01 2j6lD1 ASN 214 HA 0.04 0.08 0.73 -0.75 4.76 4.85 2j6lD1 ASN 214 HB2 0.05 0.11 0.10 -0.04 2.88 3.10 2j6lD1 ASN 214 HB3 0.07 -0.05 0.13 -0.04 2.79 2.90 2j6lD1 ASN 214 HD21 0.04 -0.11 -0.04 -0.04 7.03 6.87 2j6lD1 ASN 214 HD22 0.04 0.51 0.04 -0.04 7.74 8.29 2j6lD1 LYS 215 H 0.04 0.42 -0.42 -0.55 8.42 7.90 2j6lD1 LYS 215 HA 0.03 0.01 0.32 -0.75 4.32 3.93 2j6lD1 LYS 215 HB2 0.03 0.00 0.06 -0.04 1.87 1.92 2j6lD1 LYS 215 HB3 0.03 0.00 0.14 -0.04 1.79 1.92 2j6lD1 LYS 215 HG2 0.03 0.04 -0.43 -0.04 1.46 1.06 2j6lD1 LYS 215 HG3 0.02 0.00 -0.08 -0.04 1.46 1.36 2j6lD1 LYS 215 HD2 0.03 -0.10 0.03 -0.04 1.69 1.60 2j6lD1 LYS 215 HD3 0.03 0.26 0.06 -0.04 1.68 1.99 2j6lD1 LYS 215 HE2 0.02 0.12 0.04 -0.04 2.99 3.13 2j6lD1 LYS 215 HE3 0.02 0.00 -0.00 -0.04 2.99 2.97 2j6lD1 LEU 216 H 0.04 0.52 -0.13 -0.55 8.37 8.26 2j6lD1 LEU 216 HA 0.05 0.19 0.84 -0.75 4.35 4.67 2j6lD1 LEU 216 HB2 0.02 -0.02 -0.03 -0.04 1.64 1.56 2j6lD1 LEU 216 HB3 0.01 0.01 -0.05 -0.04 1.64 1.57 2j6lD1 LEU 216 HG 0.10 0.16 -0.28 -0.04 1.64 1.58 2j6lD1 LEU 216 HD13 0.19 -0.02 -0.05 -0.04 0.93 1.01 2j6lD1 LEU 216 HD23 0.19 0.01 -0.03 -0.04 0.89 1.02 2j6lD1 PRO 217 HA -0.01 0.02 0.51 -0.51 4.44 4.44 2j6lD1 PRO 217 HB2 -0.03 -0.09 0.01 -0.04 2.28 2.12 2j6lD1 PRO 217 HB3 -0.01 0.06 0.10 -0.04 2.02 2.13 2j6lD1 PRO 217 HG2 -0.01 0.01 0.14 -0.04 2.03 2.12 2j6lD1 PRO 217 HG3 0.03 0.08 0.13 -0.04 2.03 2.23 2j6lD1 PRO 217 HD2 0.05 0.15 0.19 -0.04 3.68 4.03 2j6lD1 PRO 217 HD3 0.04 0.19 0.18 -0.04 3.65 4.01 2j6lD1 GLY 218 H -0.03 0.16 0.20 -0.55 8.43 8.21 2j6lD1 GLY 218 HA2 0.10 0.12 0.28 -0.51 4.01 4.00 2j6lD1 GLY 218 HA3 0.00 -0.05 0.29 -0.51 4.01 3.74 2j6lD1 ALA 219 H -0.14 0.11 -0.50 -0.55 8.40 7.33 2j6lD1 ALA 219 HA -0.18 0.02 0.06 -0.75 4.34 3.49 2j6lD1 ALA 219 HB3 -0.12 0.09 -0.10 -0.04 1.41 1.24 2j6lD1 ILE 220 H -0.12 0.40 -0.51 -0.55 8.25 7.47 2j6lD1 ILE 220 HA -0.17 0.03 0.57 -0.75 4.18 3.85 2j6lD1 ILE 220 HB -0.36 0.02 -0.01 -0.04 1.89 1.50 2j6lD1 ILE 220 HG12 -0.44 0.01 -0.02 -0.04 1.49 1.00 2j6lD1 ILE 220 HG13 -0.17 -0.10 0.01 -0.04 1.21 0.91 2j6lD1 ILE 220 HG23 -1.13 0.01 -0.09 -0.04 0.93 -0.32 2j6lD1 ILE 220 HD13 -0.35 0.01 -0.03 -0.04 0.88 0.48 2j6lD1 CYS 221 H -0.03 0.42 -0.26 -0.55 8.50 8.08 2j6lD1 CYS 221 HA 0.08 0.13 0.72 -0.75 4.58 4.75 2j6lD1 CYS 221 HB2 0.08 -0.03 0.09 -0.04 2.97 3.08 2j6lD1 CYS 221 HB3 0.19 -0.07 0.02 -0.04 2.97 3.06 2j6lD1 SER 222 H 0.07 0.73 0.06 -0.55 8.46 8.77 2j6lD1 SER 222 HA 0.02 0.13 0.60 -0.75 4.49 4.49 2j6lD1 SER 222 HB2 0.02 0.07 0.23 -0.04 3.95 4.23 2j6lD1 SER 222 HB3 -0.04 -0.08 0.10 -0.04 3.93 3.87 2j6lD1 LEU 223 H -0.00 0.55 0.41 -0.55 8.37 8.78 2j6lD1 LEU 223 HA 0.10 0.18 0.96 -0.75 4.35 4.83 2j6lD1 LEU 223 HB2 0.07 0.08 -0.06 -0.04 1.64 1.69 2j6lD1 LEU 223 HB3 -0.01 -0.13 0.11 -0.04 1.64 1.56 2j6lD1 LEU 223 HG -0.08 0.01 -0.19 -0.04 1.64 1.35 2j6lD1 LEU 223 HD13 -0.45 0.04 -0.08 -0.04 0.93 0.40 2j6lD1 LEU 223 HD23 0.03 -0.01 -0.21 -0.04 0.89 0.66 2j6lD1 THR 224 H 0.03 0.72 0.16 -0.55 8.28 8.64 2j6lD1 THR 224 HA 0.02 0.09 0.77 -0.75 4.39 4.52 2j6lD1 THR 224 HB 0.11 -0.10 0.04 -0.04 4.32 4.34 2j6lD1 THR 224 HG23 0.04 -0.01 -0.15 -0.04 1.22 1.06 2j6lD1 CYS 225 H -0.03 0.72 0.17 -0.55 8.50 8.82 2j6lD1 CYS 225 HA -0.12 0.02 0.67 -0.75 4.58 4.40 2j6lD1 CYS 225 HB2 -0.03 -0.02 0.15 -0.04 2.97 3.03 2j6lD1 CYS 225 HB3 -0.06 -0.04 0.00 -0.04 2.97 2.83 2j6lD1 GLY 226 H -0.04 0.42 0.33 -0.55 8.43 8.58 2j6lD1 GLY 226 HA2 -0.01 0.01 0.37 -0.51 4.01 3.87 2j6lD1 GLY 226 HA3 -0.00 0.03 0.49 -0.51 4.01 4.02 2j6lD1 GLY 227 H 0.00 0.02 0.15 -0.55 8.43 8.05 2j6lD1 GLY 227 HA2 0.02 0.31 0.87 -0.51 4.01 4.70 2j6lD1 GLY 227 HA3 0.01 -0.02 0.47 -0.51 4.01 3.96 2j6lD1 ALA 228 H 0.02 0.19 0.19 -0.55 8.40 8.26 2j6lD1 ALA 228 HA 0.04 0.14 0.35 -0.75 4.34 4.11 2j6lD1 ALA 228 HB3 0.02 0.04 0.10 -0.04 1.41 1.52 2j6lD1 ASP 229 H -0.01 0.01 -0.17 -0.55 8.40 7.69 2j6lD1 ASP 229 HA -0.04 0.15 0.47 -0.75 4.63 4.47 2j6lD1 ASP 229 HB2 -0.04 0.08 0.01 -0.04 2.71 2.72 2j6lD1 ASP 229 HB3 -0.02 0.05 0.09 -0.04 2.70 2.78 2j6lD1 ILE 230 H -0.03 0.01 -0.16 -0.55 8.25 7.51 2j6lD1 ILE 230 HA -0.20 0.08 0.45 -0.75 4.18 3.75 2j6lD1 ILE 230 HB -0.00 0.01 -0.00 -0.04 1.89 1.85 2j6lD1 ILE 230 HG12 -0.02 -0.16 0.01 -0.04 1.49 1.27 2j6lD1 ILE 230 HG13 0.02 0.11 -0.08 -0.04 1.21 1.21 2j6lD1 ILE 230 HG23 0.04 0.07 -0.17 -0.04 0.93 0.83 2j6lD1 ILE 230 HD13 -0.02 0.02 -0.14 -0.04 0.88 0.70 2j6lD1 GLY 231 H 0.01 0.44 -0.15 -0.55 8.43 8.18 2j6lD1 GLY 231 HA2 0.07 0.09 0.37 -0.51 4.01 4.02 2j6lD1 GLY 231 HA3 0.07 0.02 0.22 -0.51 4.01 3.81 2j6lD1 THR 232 H -0.02 0.65 -0.12 -0.55 8.28 8.24 2j6lD1 THR 232 HA -0.03 0.05 0.51 -0.75 4.39 4.16 2j6lD1 THR 232 HB -0.05 0.05 0.12 -0.04 4.32 4.39 2j6lD1 THR 232 HG23 -0.04 -0.00 -0.10 -0.04 1.22 1.04 2j6lD1 ALA 233 H -0.14 0.40 -0.24 -0.55 8.40 7.88 2j6lD1 ALA 233 HA -0.12 0.02 0.38 -0.75 4.34 3.87 2j6lD1 ALA 233 HB3 -0.51 0.01 0.09 -0.04 1.41 0.95 2j6lD1 MET 234 H -0.09 0.44 -0.23 -0.55 8.47 8.05 2j6lD1 MET 234 HA 0.16 0.01 0.35 -0.75 4.52 4.28 2j6lD1 MET 234 HB2 0.08 0.11 0.11 -0.04 2.15 2.40 2j6lD1 MET 234 HB3 0.13 0.01 -0.06 -0.04 2.03 2.07 2j6lD1 MET 234 HG2 0.31 -0.02 -0.06 -0.04 2.63 2.83 2j6lD1 MET 234 HG3 0.12 0.01 -0.01 -0.04 2.56 2.65 2j6lD1 MET 234 HE3 0.19 0.02 -0.15 -0.04 2.10 2.13 2j6lD1 ALA 235 H 0.00 0.34 -0.25 -0.55 8.40 7.95 2j6lD1 ALA 235 HA 0.02 0.08 0.35 -0.75 4.34 4.04 2j6lD1 ALA 235 HB3 -0.03 -0.02 0.07 -0.04 1.41 1.39 2j6lD1 LYS 236 H -0.01 0.36 -0.34 -0.55 8.42 7.88 2j6lD1 LYS 236 HA -0.01 0.19 0.65 -0.75 4.32 4.39 2j6lD1 LYS 236 HB2 -0.02 0.03 0.06 -0.04 1.87 1.90 2j6lD1 LYS 236 HB3 -0.01 -0.09 0.07 -0.04 1.79 1.73 2j6lD1 LYS 236 HG2 -0.03 0.02 -0.03 -0.04 1.46 1.39 2j6lD1 LYS 236 HG3 -0.03 0.02 -0.07 -0.04 1.46 1.34 2j6lD1 LYS 236 HD2 -0.03 -0.05 -0.09 -0.04 1.69 1.48 2j6lD1 LYS 236 HD3 -0.02 -0.03 -0.03 -0.04 1.68 1.57 2j6lD1 LYS 236 HE2 -0.03 0.00 -0.05 -0.04 2.99 2.87 2j6lD1 LYS 236 HE3 -0.03 -0.09 -0.05 -0.04 2.99 2.79 2j6lD1 ASP 237 H 0.04 0.33 -0.43 -0.55 8.40 7.80 2j6lD1 ASP 237 HA 0.06 -0.03 0.37 -0.75 4.63 4.27 2j6lD1 ASP 237 HB2 0.16 0.22 0.06 -0.04 2.71 3.11 2j6lD1 ASP 237 HB3 0.13 0.06 0.16 -0.04 2.70 3.01 2j6lD1 GLU 238 H 0.03 0.14 0.21 -0.55 8.60 8.44 2j6lD1 GLU 238 HA 0.02 0.23 0.37 -0.75 4.29 4.16 2j6lD1 GLU 238 HB2 0.02 -0.12 0.08 -0.04 2.09 2.03 2j6lD1 GLU 238 HB3 0.02 0.05 0.06 -0.04 1.99 2.08 2j6lD1 GLU 238 HG2 0.03 0.14 0.05 -0.04 2.34 2.51 2j6lD1 GLU 238 HG3 0.02 -0.04 0.12 -0.04 2.34 2.40 2j6lD1 ARG 239 H 0.03 -0.06 -0.44 -0.55 8.46 7.43 2j6lD1 ARG 239 HA -0.02 0.17 0.52 -0.75 4.34 4.25 2j6lD1 ARG 239 HB2 0.01 -0.06 -0.07 -0.04 1.90 1.74 2j6lD1 ARG 239 HB3 -0.02 0.01 0.03 -0.04 1.80 1.78 2j6lD1 ARG 239 HG2 -0.01 0.06 -0.04 -0.04 1.67 1.64 2j6lD1 ARG 239 HG3 0.01 -0.06 -0.07 -0.04 1.67 1.50 2j6lD1 ARG 239 HD2 -0.01 0.01 -0.07 -0.04 3.22 3.10 2j6lD1 ARG 239 HD3 0.01 -0.01 -0.04 -0.04 3.22 3.13 2j6lD1 VAL 240 H 0.04 0.45 -0.38 -0.55 8.24 7.80 2j6lD1 VAL 240 HA 0.02 0.02 0.72 -0.75 4.13 4.13 2j6lD1 VAL 240 HB 0.07 0.30 0.18 -0.04 2.12 2.63 2j6lD1 VAL 240 HG13 0.08 -0.05 -0.20 -0.04 0.97 0.76 2j6lD1 VAL 240 HG23 0.12 -0.08 -0.06 -0.04 0.95 0.88 2j6lD1 ASN 241 H -0.01 0.26 0.16 -0.55 8.53 8.39 2j6lD1 ASN 241 HA -0.01 0.09 0.18 -0.75 4.76 4.27 2j6lD1 ASN 241 HB2 -0.03 -0.05 -0.09 -0.04 2.88 2.67 2j6lD1 ASN 241 HB3 -0.03 0.01 0.01 -0.04 2.79 2.74 2j6lD1 ASN 241 HD21 -0.11 -0.10 0.07 -0.04 7.03 6.84 2j6lD1 ASN 241 HD22 -0.06 -0.01 0.06 -0.04 7.74 7.69 2j6lD1 LEU 242 H 0.04 0.37 0.12 -0.55 8.37 8.34 2j6lD1 LEU 242 HA 0.02 0.29 0.79 -0.75 4.35 4.69 2j6lD1 LEU 242 HB2 0.01 0.11 -0.07 -0.04 1.64 1.64 2j6lD1 LEU 242 HB3 0.05 -0.08 0.02 -0.04 1.64 1.59 2j6lD1 LEU 242 HG -0.01 -0.13 -0.50 -0.04 1.64 0.96 2j6lD1 LEU 242 HD13 -0.06 0.03 -0.36 -0.04 0.93 0.50 2j6lD1 LEU 242 HD23 -0.25 0.05 -0.15 -0.04 0.89 0.50 2j6lD1 LEU 243 H 0.03 0.69 0.22 -0.55 8.37 8.77 2j6lD1 LEU 243 HA 0.10 0.23 1.02 -0.75 4.35 4.94 2j6lD1 LEU 243 HB2 0.07 0.12 -0.09 -0.04 1.64 1.71 2j6lD1 LEU 243 HB3 0.06 -0.01 0.12 -0.04 1.64 1.76 2j6lD1 LEU 243 HG 0.16 -0.10 -0.36 -0.04 1.64 1.30 2j6lD1 LEU 243 HD13 0.15 0.03 -0.21 -0.04 0.93 0.86 2j6lD1 LEU 243 HD23 0.07 0.01 -0.24 -0.04 0.89 0.69 2j6lD1 SER 244 H 0.11 0.77 0.20 -0.55 8.46 8.99 2j6lD1 SER 244 HA 0.08 0.17 0.90 -0.75 4.49 4.89 2j6lD1 SER 244 HB2 0.08 0.05 0.03 -0.04 3.95 4.06 2j6lD1 SER 244 HB3 0.12 -0.01 0.21 -0.04 3.93 4.21 2j6lD1 PHE 245 H 0.20 0.78 0.30 -0.55 8.34 9.06 2j6lD1 PHE 245 HA 0.08 0.17 0.96 -0.75 4.62 5.08 2j6lD1 PHE 245 HB2 0.05 0.03 -0.18 -0.04 3.15 3.01 2j6lD1 PHE 245 HB3 0.03 0.02 0.04 -0.04 3.06 3.11 2j6lD1 PHE 245 HD2 0.04 0.01 -0.23 -0.04 7.28 7.06 2j6lD1 PHE 245 HE2 0.03 -0.02 -0.29 -0.04 7.38 7.06 2j6lD1 PHE 245 HZ 0.02 -0.19 -0.19 -0.04 7.32 6.92 2j6lD1 THR 246 H -0.40 0.65 0.22 -0.55 8.28 8.21 2j6lD1 THR 246 HA -0.07 0.41 0.98 -0.75 4.39 4.96 2j6lD1 THR 246 HB -0.09 -0.14 0.24 -0.04 4.32 4.30 2j6lD1 THR 246 HG23 0.01 -0.02 -0.04 -0.04 1.22 1.13 2j6lD1 GLY 247 H -0.05 0.75 0.29 -0.55 8.43 8.87 2j6lD1 GLY 247 HA2 -0.13 -0.06 0.41 -0.51 4.01 3.72 2j6lD1 GLY 247 HA3 -0.23 0.04 0.27 -0.51 4.01 3.58 2j6lD1 SER 248 H 0.14 0.09 0.12 -0.55 8.46 8.26 2j6lD1 SER 248 HA 0.04 0.17 0.45 -0.75 4.49 4.39 2j6lD1 SER 248 HB2 0.06 -0.02 0.16 -0.04 3.95 4.10 2j6lD1 SER 248 HB3 0.03 0.11 0.15 -0.04 3.93 4.18 2j6lD1 THR 249 H 0.08 0.18 0.26 -0.55 8.28 8.25 2j6lD1 THR 249 HA 0.07 0.20 0.51 -0.75 4.39 4.41 2j6lD1 THR 249 HB 0.10 -0.04 0.18 -0.04 4.32 4.52 2j6lD1 THR 249 HG23 0.09 0.04 -0.04 -0.04 1.22 1.27 2j6lD1 GLN 250 H 0.06 0.06 -0.07 -0.55 8.47 7.97 2j6lD1 GLN 250 HA 0.01 0.15 0.37 -0.75 4.36 4.14 2j6lD1 GLN 250 HB2 0.04 0.06 0.10 -0.04 2.15 2.32 2j6lD1 GLN 250 HB3 0.04 -0.10 0.09 -0.04 2.02 2.01 2j6lD1 GLN 250 HG2 0.02 -0.01 -0.26 -0.04 2.40 2.10 2j6lD1 GLN 250 HG3 0.01 0.05 -0.00 -0.04 2.39 2.40 2j6lD1 GLN 250 HE21 0.02 0.02 -0.01 -0.04 6.97 6.96 2j6lD1 GLN 250 HE22 0.01 0.02 -0.01 -0.04 7.69 7.67 2j6lD1 VAL 251 H 0.06 -0.01 -0.22 -0.55 8.24 7.52 2j6lD1 VAL 251 HA -0.05 0.11 0.53 -0.75 4.13 3.97 2j6lD1 VAL 251 HB 0.22 -0.02 0.04 -0.04 2.12 2.32 2j6lD1 VAL 251 HG13 -0.07 0.02 -0.13 -0.04 0.97 0.75 2j6lD1 VAL 251 HG23 0.08 -0.01 0.01 -0.04 0.95 0.99 2j6lD1 GLY 252 H 0.00 0.63 -0.20 -0.55 8.43 8.32 2j6lD1 GLY 252 HA2 -0.81 -0.00 0.25 -0.51 4.01 2.93 2j6lD1 GLY 252 HA3 -0.08 0.12 0.15 -0.51 4.01 3.70 2j6lD1 LYS 253 H -0.08 0.59 -0.23 -0.55 8.42 8.15 2j6lD1 LYS 253 HA -0.10 0.07 0.49 -0.75 4.32 4.02 2j6lD1 LYS 253 HB2 -0.09 0.05 0.11 -0.04 1.87 1.91 2j6lD1 LYS 253 HB3 -0.07 0.06 0.09 -0.04 1.79 1.84 2j6lD1 LYS 253 HG2 -0.07 -0.02 -0.20 -0.04 1.46 1.13 2j6lD1 LYS 253 HG3 -0.10 0.01 0.02 -0.04 1.46 1.35 2j6lD1 LYS 253 HD2 -0.10 -0.00 -0.01 -0.04 1.69 1.53 2j6lD1 LYS 253 HD3 -0.05 -0.02 -0.01 -0.04 1.68 1.56 2j6lD1 LYS 253 HE2 -0.04 -0.01 -0.05 -0.04 2.99 2.85 2j6lD1 LYS 253 HE3 -0.05 0.02 -0.04 -0.04 2.99 2.87 2j6lD1 GLN 254 H -0.11 0.30 -0.21 -0.55 8.47 7.90 2j6lD1 GLN 254 HA -0.08 0.06 0.48 -0.75 4.36 4.06 2j6lD1 GLN 254 HB2 -0.10 0.07 0.14 -0.04 2.15 2.22 2j6lD1 GLN 254 HB3 -0.07 -0.03 0.03 -0.04 2.02 1.91 2j6lD1 GLN 254 HG2 -0.06 0.17 0.11 -0.04 2.40 2.58 2j6lD1 GLN 254 HG3 -0.04 -0.06 0.03 -0.04 2.39 2.27 2j6lD1 GLN 254 HE21 -0.04 0.01 -0.06 -0.04 6.97 6.85 2j6lD1 GLN 254 HE22 -0.04 0.02 -0.02 -0.04 7.69 7.61 2j6lD1 VAL 255 H -0.27 0.50 -0.08 -0.55 8.24 7.84 2j6lD1 VAL 255 HA -0.14 0.02 0.43 -0.75 4.13 3.68 2j6lD1 VAL 255 HB -0.57 0.04 0.08 -0.04 2.12 1.63 2j6lD1 VAL 255 HG13 -0.12 0.01 -0.15 -0.04 0.97 0.67 2j6lD1 VAL 255 HG23 -0.44 0.00 -0.09 -0.04 0.95 0.39 2j6lD1 GLY 256 H -0.16 0.68 -0.18 -0.55 8.43 8.22 2j6lD1 GLY 256 HA2 -0.07 0.02 0.21 -0.51 4.01 3.66 2j6lD1 GLY 256 HA3 -0.08 0.07 0.29 -0.51 4.01 3.78 2j6lD1 LEU 257 H -0.09 0.46 -0.21 -0.55 8.37 7.98 2j6lD1 LEU 257 HA -0.08 0.03 0.54 -0.75 4.35 4.08 2j6lD1 LEU 257 HB2 -0.07 0.08 0.17 -0.04 1.64 1.77 2j6lD1 LEU 257 HB3 -0.07 -0.06 0.00 -0.04 1.64 1.48 2j6lD1 LEU 257 HG -0.07 0.12 0.07 -0.04 1.64 1.72 2j6lD1 LEU 257 HD13 -0.06 -0.04 -0.06 -0.04 0.93 0.74 2j6lD1 LEU 257 HD23 -0.06 -0.01 0.01 -0.04 0.89 0.78 2j6lD1 MET 258 H -0.08 0.55 -0.10 -0.55 8.47 8.30 2j6lD1 MET 258 HA -0.06 -0.04 0.43 -0.75 4.52 4.10 2j6lD1 MET 258 HB2 -0.06 0.08 0.12 -0.04 2.15 2.24 2j6lD1 MET 258 HB3 -0.04 0.04 -0.18 -0.04 2.03 1.81 2j6lD1 MET 258 HG2 -0.05 -0.06 -0.01 -0.04 2.63 2.47 2j6lD1 MET 258 HG3 -0.06 0.16 0.06 -0.04 2.56 2.68 2j6lD1 MET 258 HE3 -0.04 -0.03 -0.05 -0.04 2.10 1.94 2j6lD1 VAL 259 H -0.06 0.51 -0.17 -0.55 8.24 7.98 2j6lD1 VAL 259 HA -0.03 0.18 0.40 -0.75 4.13 3.92 2j6lD1 VAL 259 HB -0.04 0.00 -0.01 -0.04 2.12 2.04 2j6lD1 VAL 259 HG13 -0.00 0.04 -0.51 -0.04 0.97 0.45 2j6lD1 VAL 259 HG23 -0.01 0.04 -0.02 -0.04 0.95 0.92 2j6lD1 GLN 260 H -0.08 0.51 -0.15 -0.55 8.47 8.20 2j6lD1 GLN 260 HA -0.15 0.08 0.48 -0.75 4.36 4.02 2j6lD1 GLN 260 HB2 -0.09 0.03 0.13 -0.04 2.15 2.18 2j6lD1 GLN 260 HB3 -0.12 0.04 0.18 -0.04 2.02 2.08 2j6lD1 GLN 260 HG2 -0.11 -0.07 -0.01 -0.04 2.40 2.17 2j6lD1 GLN 260 HG3 -0.24 -0.01 -0.19 -0.04 2.39 1.91 2j6lD1 GLN 260 HE21 -0.01 0.01 0.03 -0.04 6.97 6.96 2j6lD1 GLN 260 HE22 -0.05 -0.02 0.02 -0.04 7.69 7.60 2j6lD1 GLU 261 H -0.13 0.57 -0.18 -0.55 8.60 8.32 2j6lD1 GLU 261 HA -0.22 -0.04 0.40 -0.75 4.29 3.68 2j6lD1 GLU 261 HB2 -0.10 -0.07 0.12 -0.04 2.09 2.01 2j6lD1 GLU 261 HB3 -0.08 0.24 0.17 -0.04 1.99 2.28 2j6lD1 GLU 261 HG2 -0.05 -0.09 0.00 -0.04 2.34 2.16 2j6lD1 GLU 261 HG3 -0.06 0.05 -0.19 -0.04 2.34 2.10 2j6lD1 ARG 262 H -0.10 0.35 -0.45 -0.55 8.46 7.70 2j6lD1 ARG 262 HA -0.00 0.08 0.69 -0.75 4.34 4.35 2j6lD1 ARG 262 HB2 0.02 -0.07 0.11 -0.04 1.90 1.92 2j6lD1 ARG 262 HB3 -0.01 -0.07 -0.01 -0.04 1.80 1.66 2j6lD1 ARG 262 HG2 -0.03 0.23 0.09 -0.04 1.67 1.92 2j6lD1 ARG 262 HG3 0.00 -0.00 -0.11 -0.04 1.67 1.52 2j6lD1 ARG 262 HD2 0.02 -0.10 -0.30 -0.04 3.22 2.79 2j6lD1 ARG 262 HD3 0.01 0.01 -0.33 -0.04 3.22 2.87 2j6lD1 PHE 263 H -0.34 0.50 -0.32 -0.55 8.34 7.63 2j6lD1 PHE 263 HA -0.01 0.02 0.37 -0.75 4.62 4.25 2j6lD1 PHE 263 HB2 -0.01 0.06 -0.12 -0.04 3.15 3.04 2j6lD1 PHE 263 HB3 -0.01 -0.05 0.26 -0.04 3.06 3.22 2j6lD1 PHE 263 HD2 -0.01 0.01 -0.01 -0.04 7.28 7.23 2j6lD1 PHE 263 HE2 -0.01 -0.07 0.02 -0.04 7.38 7.28 2j6lD1 PHE 263 HZ -0.01 -0.09 0.02 -0.04 7.32 7.20 2j6lD1 GLY 264 H 0.01 0.47 -0.16 -0.55 8.43 8.20 2j6lD1 GLY 264 HA2 0.05 0.18 0.75 -0.51 4.01 4.48 2j6lD1 GLY 264 HA3 0.02 0.02 0.27 -0.51 4.01 3.82 2j6lD1 ARG 265 H 0.02 0.52 0.26 -0.55 8.46 8.70 2j6lD1 ARG 265 HA 0.02 0.11 0.88 -0.75 4.34 4.59 2j6lD1 ARG 265 HB2 0.02 0.00 0.08 -0.04 1.90 1.96 2j6lD1 ARG 265 HB3 0.01 0.00 0.23 -0.04 1.80 2.00 2j6lD1 ARG 265 HG2 -0.02 -0.01 -0.08 -0.04 1.67 1.52 2j6lD1 ARG 265 HG3 0.01 -0.05 0.10 -0.04 1.67 1.69 2j6lD1 ARG 265 HD2 -0.00 0.02 0.00 -0.04 3.22 3.19 2j6lD1 ARG 265 HD3 -0.01 -0.01 0.05 -0.04 3.22 3.21 2j6lD1 SER 266 H -0.00 0.23 0.17 -0.55 8.46 8.31 2j6lD1 SER 266 HA 0.02 0.27 0.91 -0.75 4.49 4.93 2j6lD1 SER 266 HB2 0.02 -0.04 -0.02 -0.04 3.95 3.87 2j6lD1 SER 266 HB3 -0.00 0.02 -0.10 -0.04 3.93 3.81 2j6lD1 LEU 267 H 0.03 0.67 0.26 -0.55 8.37 8.78 2j6lD1 LEU 267 HA -0.02 0.12 0.73 -0.75 4.35 4.44 2j6lD1 LEU 267 HB2 -0.12 0.12 -0.10 -0.04 1.64 1.50 2j6lD1 LEU 267 HB3 -0.02 -0.10 0.16 -0.04 1.64 1.63 2j6lD1 LEU 267 HG -0.05 -0.06 0.06 -0.04 1.64 1.55 2j6lD1 LEU 267 HD13 -0.22 0.07 -0.05 -0.04 0.93 0.69 2j6lD1 LEU 267 HD23 0.06 -0.02 -0.37 -0.04 0.89 0.53 2j6lD1 LEU 268 H 0.03 0.25 0.05 -0.55 8.37 8.14 2j6lD1 LEU 268 HA 0.17 0.24 1.00 -0.75 4.35 5.00 2j6lD1 LEU 268 HB2 0.04 0.08 0.08 -0.04 1.64 1.80 2j6lD1 LEU 268 HB3 0.10 -0.05 -0.08 -0.04 1.64 1.57 2j6lD1 LEU 268 HG 0.02 -0.00 -0.21 -0.04 1.64 1.42 2j6lD1 LEU 268 HD13 -0.03 0.01 -0.05 -0.04 0.93 0.82 2j6lD1 LEU 268 HD23 0.05 -0.00 -0.15 -0.04 0.89 0.75 2j6lD1 GLU 269 H 0.17 0.66 0.28 -0.55 8.60 9.15 2j6lD1 GLU 269 HA 0.07 0.16 0.83 -0.75 4.29 4.60 2j6lD1 GLU 269 HB2 0.11 -0.03 0.20 -0.04 2.09 2.33 2j6lD1 GLU 269 HB3 0.16 -0.07 0.07 -0.04 1.99 2.12 2j6lD1 GLU 269 HG2 0.10 -0.02 -0.60 -0.04 2.34 1.78 2j6lD1 GLU 269 HG3 0.18 -0.05 -0.22 -0.04 2.34 2.21 2j6lD1 LEU 270 H 0.07 0.57 0.18 -0.55 8.37 8.65 2j6lD1 LEU 270 HA 0.12 0.35 0.68 -0.75 4.35 4.75 2j6lD1 LEU 270 HB2 0.08 0.17 0.16 -0.04 1.64 2.01 2j6lD1 LEU 270 HB3 0.11 -0.27 0.01 -0.04 1.64 1.45 2j6lD1 LEU 270 HG 0.10 0.12 -0.45 -0.04 1.64 1.38 2j6lD1 LEU 270 HD13 0.03 0.02 -0.19 -0.04 0.93 0.75 2j6lD1 LEU 270 HD23 0.31 0.02 -0.42 -0.04 0.89 0.75 2j6lD1 GLY 271 H 0.09 0.04 0.18 -0.55 8.43 8.20 2j6lD1 GLY 271 HA2 0.08 0.06 0.30 -0.51 4.01 3.94 2j6lD1 GLY 271 HA3 0.09 -0.07 0.36 -0.51 4.01 3.88 2j6lD1 GLY 272 H 0.16 0.24 0.27 -0.55 8.43 8.55 2j6lD1 GLY 272 HA2 0.09 -0.00 0.92 -0.51 4.01 4.50 2j6lD1 GLY 272 HA3 0.13 0.23 0.36 -0.51 4.01 4.22 2j6lD1 ASN 273 H 0.10 0.09 -0.04 -0.55 8.53 8.12 2j6lD1 ASN 273 HA 0.15 0.19 0.59 -0.75 4.76 4.93 2j6lD1 ASN 273 HB2 0.09 -0.05 -0.18 -0.04 2.88 2.69 2j6lD1 ASN 273 HB3 0.06 -0.05 0.13 -0.04 2.79 2.90 2j6lD1 ASN 273 HD21 0.06 0.63 0.15 -0.04 7.03 7.83 2j6lD1 ASN 273 HD22 0.00 -0.10 -0.08 -0.04 7.74 7.53 2j6lD1 ASN 274 H 0.14 0.33 0.08 -0.55 8.53 8.54 2j6lD1 ASN 274 HA 0.14 0.15 0.47 -0.75 4.76 4.77 2j6lD1 ASN 274 HB2 0.14 0.10 -0.11 -0.04 2.88 2.97 2j6lD1 ASN 274 HB3 0.14 0.08 -0.14 -0.04 2.79 2.82 2j6lD1 ASN 274 HD21 0.15 0.40 0.18 -0.04 7.03 7.72 2j6lD1 ASN 274 HD22 0.13 0.65 -0.27 -0.04 7.74 8.21 2j6lD1 ALA 275 H 0.21 0.25 0.37 -0.55 8.40 8.68 2j6lD1 ALA 275 HA 0.28 0.33 1.07 -0.75 4.34 5.26 2j6lD1 ALA 275 HB3 0.43 0.01 0.08 -0.04 1.41 1.89 2j6lD1 ILE 276 H 0.25 0.69 0.48 -0.55 8.25 9.13 2j6lD1 ILE 276 HA 0.26 0.24 0.94 -0.75 4.18 4.87 2j6lD1 ILE 276 HB 0.16 0.03 0.18 -0.04 1.89 2.22 2j6lD1 ILE 276 HG12 0.32 -0.01 -0.03 -0.04 1.49 1.73 2j6lD1 ILE 276 HG13 0.21 0.03 -0.18 -0.04 1.21 1.23 2j6lD1 ILE 276 HG23 0.18 -0.03 -0.24 -0.04 0.93 0.81 2j6lD1 ILE 276 HD13 0.14 -0.02 -0.08 -0.04 0.88 0.88 2j6lD1 ILE 277 H 0.17 0.61 0.30 -0.55 8.25 8.78 2j6lD1 ILE 277 HA 0.21 0.27 1.04 -0.75 4.18 4.95 2j6lD1 ILE 277 HB -0.14 -0.05 0.18 -0.04 1.89 1.84 2j6lD1 ILE 277 HG12 -0.10 0.01 -0.12 -0.04 1.49 1.23 2j6lD1 ILE 277 HG13 0.08 0.01 -0.36 -0.04 1.21 0.89 2j6lD1 ILE 277 HG23 -0.66 -0.04 -0.23 -0.04 0.93 -0.04 2j6lD1 ILE 277 HD13 -0.21 -0.00 -0.15 -0.04 0.88 0.47 2j6lD1 ALA 278 H 0.23 0.79 0.32 -0.55 8.40 9.20 2j6lD1 ALA 278 HA 0.26 0.09 1.02 -0.75 4.34 4.95 2j6lD1 ALA 278 HB3 0.08 0.00 0.06 -0.04 1.41 1.51 2j6lD1 PHE 279 H 0.45 0.62 0.30 -0.55 8.34 9.16 2j6lD1 PHE 279 HA 0.30 0.09 0.63 -0.75 4.62 4.89 2j6lD1 PHE 279 HB2 0.07 0.09 0.22 -0.04 3.15 3.49 2j6lD1 PHE 279 HB3 0.04 -0.14 0.17 -0.04 3.06 3.09 2j6lD1 PHE 279 HD2 0.10 0.05 -0.02 -0.04 7.28 7.36 2j6lD1 PHE 279 HE2 -0.07 -0.00 -0.10 -0.04 7.38 7.17 2j6lD1 PHE 279 HZ -0.14 0.08 -0.08 -0.04 7.32 7.14 2j6lD1 GLU 280 H -0.06 0.15 0.20 -0.55 8.60 8.35 2j6lD1 GLU 280 HA -0.03 0.10 0.37 -0.75 4.29 3.98 2j6lD1 GLU 280 HB2 -0.74 -0.03 0.18 -0.04 2.09 1.46 2j6lD1 GLU 280 HB3 -0.21 -0.01 0.12 -0.04 1.99 1.85 2j6lD1 GLU 280 HG2 -0.05 0.06 -0.12 -0.04 2.34 2.18 2j6lD1 GLU 280 HG3 -0.05 -0.00 0.08 -0.04 2.34 2.33 2j6lD1 ASP 281 H 0.07 -0.04 -0.22 -0.55 8.40 7.67 2j6lD1 ASP 281 HA 0.02 0.25 0.65 -0.75 4.63 4.80 2j6lD1 ASP 281 HB2 0.02 0.08 0.14 -0.04 2.71 2.91 2j6lD1 ASP 281 HB3 0.01 0.03 0.07 -0.04 2.70 2.76 2j6lD1 ALA 282 H 0.11 0.46 -0.47 -0.55 8.40 7.96 2j6lD1 ALA 282 HA 0.13 -0.09 0.18 -0.75 4.34 3.81 2j6lD1 ALA 282 HB3 0.17 0.05 -0.06 -0.04 1.41 1.52 2j6lD1 ASP 283 H 0.12 0.12 0.07 -0.55 8.40 8.16 2j6lD1 ASP 283 HA 0.05 0.15 0.68 -0.75 4.63 4.75 2j6lD1 ASP 283 HB2 0.06 0.11 0.12 -0.04 2.71 2.97 2j6lD1 ASP 283 HB3 0.10 -0.00 0.19 -0.04 2.70 2.95 2j6lD1 LEU 284 H 0.03 0.30 0.14 -0.55 8.37 8.29 2j6lD1 LEU 284 HA -0.01 0.03 0.30 -0.75 4.35 3.92 2j6lD1 LEU 284 HB2 0.00 0.04 0.05 -0.04 1.64 1.69 2j6lD1 LEU 284 HB3 -0.01 0.03 0.02 -0.04 1.64 1.64 2j6lD1 LEU 284 HG 0.02 0.12 0.05 -0.04 1.64 1.79 2j6lD1 LEU 284 HD13 0.00 0.01 -0.02 -0.04 0.93 0.89 2j6lD1 LEU 284 HD23 0.01 -0.02 -0.14 -0.04 0.89 0.70 2j6lD1 SER 285 H 0.02 0.09 -0.13 -0.55 8.46 7.89 2j6lD1 SER 285 HA 0.00 0.13 0.44 -0.75 4.49 4.31 2j6lD1 SER 285 HB2 0.01 0.08 0.06 -0.04 3.95 4.06 2j6lD1 SER 285 HB3 0.01 -0.01 0.07 -0.04 3.93 3.96 2j6lD1 LEU 286 H 0.04 0.09 -0.57 -0.55 8.37 7.38 2j6lD1 LEU 286 HA 0.05 0.18 0.74 -0.75 4.35 4.57 2j6lD1 LEU 286 HB2 0.09 -0.03 0.02 -0.04 1.64 1.69 2j6lD1 LEU 286 HB3 0.15 0.08 0.12 -0.04 1.64 1.95 2j6lD1 LEU 286 HG 0.40 -0.05 -0.24 -0.04 1.64 1.71 2j6lD1 LEU 286 HD13 0.13 0.02 0.04 -0.04 0.93 1.08 2j6lD1 LEU 286 HD23 0.18 0.05 0.05 -0.04 0.89 1.13 2j6lD1 VAL 287 H -0.04 0.46 0.10 -0.55 8.24 8.21 2j6lD1 VAL 287 HA -0.70 0.02 0.30 -0.75 4.13 2.99 2j6lD1 VAL 287 HB -0.11 0.02 0.07 -0.04 2.12 2.06 2j6lD1 VAL 287 HG13 -0.21 0.00 -0.21 -0.04 0.97 0.52 2j6lD1 VAL 287 HG23 -0.16 0.05 -0.10 -0.04 0.95 0.70 2j6lD1 VAL 288 H -0.06 0.50 -0.21 -0.55 8.24 7.92 2j6lD1 VAL 288 HA -0.06 0.02 0.22 -0.75 4.13 3.55 2j6lD1 VAL 288 HB -0.02 0.11 0.06 -0.04 2.12 2.22 2j6lD1 VAL 288 HG13 -0.01 0.00 -0.25 -0.04 0.97 0.67 2j6lD1 VAL 288 HG23 -0.05 -0.00 -0.02 -0.04 0.95 0.84 2j6lD1 PRO 289 HA 0.03 0.06 0.50 -0.51 4.44 4.53 2j6lD1 PRO 289 HB2 0.02 0.02 -0.04 -0.04 2.28 2.25 2j6lD1 PRO 289 HB3 0.02 0.03 0.08 -0.04 2.02 2.10 2j6lD1 PRO 289 HG2 0.02 0.07 0.07 -0.04 2.03 2.15 2j6lD1 PRO 289 HG3 0.01 0.08 0.10 -0.04 2.03 2.18 2j6lD1 PRO 289 HD2 -0.01 -0.07 -0.39 -0.04 3.68 3.17 2j6lD1 PRO 289 HD3 -0.00 0.09 0.04 -0.04 3.65 3.73 2j6lD1 SER 290 H -0.00 0.47 -0.43 -0.55 8.46 7.95 2j6lD1 SER 290 HA 0.16 0.02 0.33 -0.75 4.49 4.24 2j6lD1 SER 290 HB2 -0.18 0.08 0.05 -0.04 3.95 3.86 2j6lD1 SER 290 HB3 0.25 -0.13 -0.12 -0.04 3.93 3.89 2j6lD1 ALA 291 H -0.06 0.70 -0.07 -0.55 8.40 8.43 2j6lD1 ALA 291 HA 0.05 -0.03 0.40 -0.75 4.34 4.01 2j6lD1 ALA 291 HB3 -0.03 0.01 0.01 -0.04 1.41 1.35 2j6lD1 LEU 292 H 0.06 0.58 -0.13 -0.55 8.37 8.34 2j6lD1 LEU 292 HA 0.10 0.05 0.40 -0.75 4.35 4.14 2j6lD1 LEU 292 HB2 0.07 0.01 0.05 -0.04 1.64 1.74 2j6lD1 LEU 292 HB3 0.06 0.08 0.16 -0.04 1.64 1.90 2j6lD1 LEU 292 HG -0.02 -0.03 -0.32 -0.04 1.64 1.24 2j6lD1 LEU 292 HD13 -0.20 0.00 -0.13 -0.04 0.93 0.56 2j6lD1 LEU 292 HD23 0.01 -0.00 -0.08 -0.04 0.89 0.77 2j6lD1 PHE 293 H 0.20 0.65 -0.15 -0.55 8.34 8.49 2j6lD1 PHE 293 HA 0.00 0.01 0.37 -0.75 4.62 4.25 2j6lD1 PHE 293 HB2 0.03 0.02 0.09 -0.04 3.15 3.25 2j6lD1 PHE 293 HB3 0.05 0.09 0.14 -0.04 3.06 3.30 2j6lD1 PHE 293 HD2 0.05 0.01 -0.07 -0.04 7.28 7.23 2j6lD1 PHE 293 HE2 0.06 -0.02 -0.09 -0.04 7.38 7.29 2j6lD1 PHE 293 HZ 0.07 -0.00 -0.08 -0.04 7.32 7.27 2j6lD1 ALA 294 H 0.15 0.61 -0.13 -0.55 8.40 8.49 2j6lD1 ALA 294 HA -0.13 -0.00 0.34 -0.75 4.34 3.79 2j6lD1 ALA 294 HB3 0.13 -0.03 0.13 -0.04 1.41 1.60 2j6lD1 ALA 295 H 0.01 0.48 -0.26 -0.55 8.40 8.09 2j6lD1 ALA 295 HA 0.01 0.23 0.60 -0.75 4.34 4.43 2j6lD1 ALA 295 HB3 0.08 -0.03 -0.00 -0.04 1.41 1.42 2j6lD1 VAL 296 H -0.09 0.51 0.01 -0.55 8.24 8.12 2j6lD1 VAL 296 HA -0.04 0.18 0.76 -0.75 4.13 4.28 2j6lD1 VAL 296 HB -0.18 0.00 0.05 -0.04 2.12 1.94 2j6lD1 VAL 296 HG13 -0.09 -0.02 0.03 -0.04 0.97 0.85 2j6lD1 VAL 296 HG23 -0.59 -0.00 -0.08 -0.04 0.95 0.24 2j6lD1 GLY 297 H -0.22 0.43 0.03 -0.55 8.43 8.12 2j6lD1 GLY 297 HA2 -0.11 -0.00 0.47 -0.51 4.01 3.85 2j6lD1 GLY 297 HA3 -0.44 0.12 0.33 -0.51 4.01 3.51 2j6lD1 THR 298 H -0.08 0.13 0.21 -0.55 8.28 7.99 2j6lD1 THR 298 HA -0.11 -0.02 0.30 -0.75 4.39 3.81 2j6lD1 THR 298 HB -0.13 0.00 -0.11 -0.04 4.32 4.04 2j6lD1 THR 298 HG23 -0.19 0.01 -0.03 -0.04 1.22 0.97 2j6lD1 ALA 299 H -0.11 0.22 -0.13 -0.55 8.40 7.82 2j6lD1 ALA 299 HA -0.03 0.13 0.30 -0.75 4.34 3.99 2j6lD1 ALA 299 HB3 -0.36 0.02 -0.05 -0.04 1.41 0.98 2j6lD1 GLY 300 H -0.10 0.41 -0.65 -0.55 8.43 7.55 2j6lD1 GLY 300 HA2 -0.10 0.12 0.13 -0.51 4.01 3.65 2j6lD1 GLY 300 HA3 -0.08 0.02 0.15 -0.51 4.01 3.60 2j6lD1 GLN 301 H -0.20 0.41 -0.51 -0.55 8.47 7.63 2j6lD1 GLN 301 HA -1.16 0.16 0.68 -0.75 4.36 3.28 2j6lD1 GLN 301 HB2 -0.10 0.13 0.08 -0.04 2.15 2.22 2j6lD1 GLN 301 HB3 0.02 -0.20 0.13 -0.04 2.02 1.93 2j6lD1 GLN 301 HG2 -0.07 0.02 -0.17 -0.04 2.40 2.13 2j6lD1 GLN 301 HG3 -0.14 0.29 -0.32 -0.04 2.39 2.18 2j6lD1 GLN 301 HE21 0.01 0.07 0.02 -0.04 6.97 7.02 2j6lD1 GLN 301 HE22 -0.07 0.34 -0.03 -0.04 7.69 7.88 2j6lD1 ARG 302 H -0.17 0.22 -0.32 -0.55 8.46 7.63 2j6lD1 ARG 302 HA 0.27 0.15 0.79 -0.75 4.34 4.79 2j6lD1 ARG 302 HB2 0.07 0.05 -0.11 -0.04 1.90 1.86 2j6lD1 ARG 302 HB3 0.27 -0.13 -0.06 -0.04 1.80 1.84 2j6lD1 ARG 302 HG2 0.10 0.05 -0.15 -0.04 1.67 1.63 2j6lD1 ARG 302 HG3 -0.03 0.12 -0.23 -0.04 1.67 1.49 2j6lD1 ARG 302 HD2 0.31 -0.03 -0.10 -0.04 3.22 3.36 2j6lD1 ARG 302 HD3 0.20 -0.01 -0.13 -0.04 3.22 3.23 2j6lD1 CYS 303 H 0.42 0.14 0.01 -0.55 8.50 8.53 2j6lD1 CYS 303 HA 0.43 0.11 0.49 -0.75 4.58 4.86 2j6lD1 CYS 303 HB2 0.21 0.10 -0.02 -0.04 2.97 3.23 2j6lD1 CYS 303 HB3 0.23 -0.02 0.03 -0.04 2.97 3.17 2j6lD1 THR 304 H 0.23 -0.01 -0.35 -0.55 8.28 7.60 2j6lD1 THR 304 HA 0.15 0.11 0.40 -0.75 4.39 4.30 2j6lD1 THR 304 HB 0.16 0.17 -0.24 -0.04 4.32 4.37 2j6lD1 THR 304 HG23 0.29 -0.01 -0.15 -0.04 1.22 1.30 2j6lD1 THR 305 H 0.11 0.27 -0.66 -0.55 8.28 7.45 2j6lD1 THR 305 HA 0.02 0.12 0.38 -0.75 4.39 4.15 2j6lD1 THR 305 HB 0.00 0.06 -0.05 -0.04 4.32 4.30 2j6lD1 THR 305 HG23 -0.02 0.07 -0.10 -0.04 1.22 1.13 2j6lD1 ALA 306 H 0.05 0.37 0.00 -0.55 8.40 8.28 2j6lD1 ALA 306 HA 0.13 0.13 0.58 -0.75 4.34 4.43 2j6lD1 ALA 306 HB3 0.11 -0.05 -0.07 -0.04 1.41 1.35 2j6lD1 ARG 307 H 0.15 0.50 0.36 -0.55 8.46 8.91 2j6lD1 ARG 307 HA 0.08 0.28 1.03 -0.75 4.34 4.98 2j6lD1 ARG 307 HB2 0.20 -0.08 0.04 -0.04 1.90 2.02 2j6lD1 ARG 307 HB3 0.22 0.05 0.23 -0.04 1.80 2.25 2j6lD1 ARG 307 HG2 0.09 0.13 -0.26 -0.04 1.67 1.59 2j6lD1 ARG 307 HG3 0.13 0.07 -0.16 -0.04 1.67 1.68 2j6lD1 ARG 307 HD2 0.19 -0.07 0.10 -0.04 3.22 3.39 2j6lD1 ARG 307 HD3 0.17 0.09 0.16 -0.04 3.22 3.60 2j6lD1 ARG 308 H 0.19 0.37 0.25 -0.55 8.46 8.71 2j6lD1 ARG 308 HA 0.23 0.31 0.96 -0.75 4.34 5.08 2j6lD1 ARG 308 HB2 0.31 -0.07 0.00 -0.04 1.90 2.10 2j6lD1 ARG 308 HB3 0.17 -0.04 -0.01 -0.04 1.80 1.88 2j6lD1 ARG 308 HG2 0.41 0.04 -0.04 -0.04 1.67 2.05 2j6lD1 ARG 308 HG3 0.27 -0.08 -0.38 -0.04 1.67 1.45 2j6lD1 ARG 308 HD2 0.20 -0.08 -0.04 -0.04 3.22 3.26 2j6lD1 ARG 308 HD3 0.14 0.26 0.01 -0.04 3.22 3.59 2j6lD1 LEU 309 H -0.02 0.78 0.30 -0.55 8.37 8.89 2j6lD1 LEU 309 HA 0.16 0.23 1.02 -0.75 4.35 5.00 2j6lD1 LEU 309 HB2 0.04 0.02 -0.10 -0.04 1.64 1.56 2j6lD1 LEU 309 HB3 -0.03 0.02 0.03 -0.04 1.64 1.61 2j6lD1 LEU 309 HG 0.03 -0.07 -0.30 -0.04 1.64 1.26 2j6lD1 LEU 309 HD13 0.07 0.02 -0.12 -0.04 0.93 0.87 2j6lD1 LEU 309 HD23 -0.05 -0.01 -0.15 -0.04 0.89 0.64 2j6lD1 PHE 310 H 0.42 0.74 0.36 -0.55 8.34 9.31 2j6lD1 PHE 310 HA 0.42 0.24 0.92 -0.75 4.62 5.44 2j6lD1 PHE 310 HB2 0.05 -0.05 0.15 -0.04 3.15 3.26 2j6lD1 PHE 310 HB3 0.23 -0.08 -0.12 -0.04 3.06 3.04 2j6lD1 PHE 310 HD2 0.35 0.03 -0.15 -0.04 7.28 7.46 2j6lD1 PHE 310 HE2 0.02 0.02 -0.10 -0.04 7.38 7.28 2j6lD1 PHE 310 HZ -0.10 0.16 -0.14 -0.04 7.32 7.20 2j6lD1 ILE 311 H 0.46 0.80 0.37 -0.55 8.25 9.33 2j6lD1 ILE 311 HA 0.28 0.16 1.14 -0.75 4.18 5.01 2j6lD1 ILE 311 HB 0.21 -0.03 0.03 -0.04 1.89 2.05 2j6lD1 ILE 311 HG12 0.06 0.00 -0.26 -0.04 1.49 1.26 2j6lD1 ILE 311 HG13 0.11 0.06 -0.40 -0.04 1.21 0.94 2j6lD1 ILE 311 HG23 0.05 0.02 -0.18 -0.04 0.93 0.78 2j6lD1 ILE 311 HD13 -0.16 0.00 -0.11 -0.04 0.88 0.57 2j6lD1 HIS 312 H -0.01 0.54 0.23 -0.55 8.41 8.62 2j6lD1 HIS 312 HA -1.24 0.17 0.47 -0.75 4.63 3.27 2j6lD1 HIS 312 HB2 -0.44 0.03 0.20 -0.04 3.26 3.00 2j6lD1 HIS 312 HB3 -0.19 -0.07 0.06 -0.04 3.20 2.96 2j6lD1 HIS 312 HD2 -0.52 0.04 0.01 -0.04 6.97 6.46 2j6lD1 HIS 312 HE1 -0.06 0.07 0.11 -0.04 7.75 7.82 2j6lD1 GLU 313 H -0.95 0.56 0.45 -0.55 8.60 8.12 2j6lD1 GLU 313 HA -0.15 0.06 0.40 -0.75 4.29 3.85 2j6lD1 SER 314 H 0.05 0.03 -0.24 -0.55 8.46 7.75 2j6lD1 SER 314 HA 0.04 0.13 0.41 -0.75 4.49 4.31 2j6lD1 SER 314 HB2 0.08 0.07 0.08 -0.04 3.95 4.14 2j6lD1 SER 314 HB3 0.21 -0.01 0.12 -0.04 3.93 4.20 2j6lD1 ILE 315 H 0.08 0.36 -0.19 -0.55 8.25 7.95 2j6lD1 ILE 315 HA 0.04 0.21 0.93 -0.75 4.18 4.60 2j6lD1 ILE 315 HB 0.02 -0.05 0.09 -0.04 1.89 1.91 2j6lD1 ILE 315 HG12 0.08 -0.13 -0.05 -0.04 1.49 1.34 2j6lD1 ILE 315 HG13 0.06 0.12 -0.13 -0.04 1.21 1.21 2j6lD1 ILE 315 HG23 0.03 0.02 -0.07 -0.04 0.93 0.87 2j6lD1 ILE 315 HD13 0.06 0.03 -0.17 -0.04 0.88 0.76 2j6lD1 HIS 316 H 0.10 0.36 -0.16 -0.55 8.41 8.17 2j6lD1 HIS 316 HA -0.01 0.01 0.25 -0.75 4.63 4.13 2j6lD1 HIS 316 HB2 -0.03 0.11 -0.08 -0.04 3.26 3.22 2j6lD1 HIS 316 HB3 -0.03 0.06 0.12 -0.04 3.20 3.31 2j6lD1 HIS 316 HD2 0.03 0.10 -0.23 -0.04 6.97 6.82 2j6lD1 HIS 316 HE1 -0.03 0.03 -0.09 -0.04 7.75 7.62 2j6lD1 ASP 317 H 0.13 0.20 -0.14 -0.55 8.40 8.05 2j6lD1 ASP 317 HA -0.02 0.10 0.36 -0.75 4.63 4.32 2j6lD1 ASP 317 HB2 0.04 0.01 0.05 -0.04 2.71 2.78 2j6lD1 ASP 317 HB3 0.03 0.05 -0.02 -0.04 2.70 2.72 2j6lD1 GLU 318 H 0.00 0.13 -0.23 -0.55 8.60 7.95 2j6lD1 GLU 318 HA -0.02 0.07 0.39 -0.75 4.29 3.98 2j6lD1 GLU 318 HB2 -0.00 0.02 0.10 -0.04 2.09 2.16 2j6lD1 GLU 318 HB3 -0.01 0.07 0.11 -0.04 1.99 2.12 2j6lD1 GLU 318 HG2 -0.02 -0.01 -0.29 -0.04 2.34 1.98 2j6lD1 GLU 318 HG3 -0.01 0.01 0.03 -0.04 2.34 2.32 2j6lD1 VAL 319 H -0.05 0.57 -0.14 -0.55 8.24 8.07 2j6lD1 VAL 319 HA -0.06 0.01 0.43 -0.75 4.13 3.75 2j6lD1 VAL 319 HB -0.09 0.10 0.05 -0.04 2.12 2.14 2j6lD1 VAL 319 HG13 -0.08 -0.01 -0.21 -0.04 0.97 0.63 2j6lD1 VAL 319 HG23 -0.03 0.00 -0.03 -0.04 0.95 0.86 2j6lD1 VAL 320 H -0.21 0.60 -0.09 -0.55 8.24 8.00 2j6lD1 VAL 320 HA -0.20 0.01 0.39 -0.75 4.13 3.59 2j6lD1 VAL 320 HB -0.21 0.06 0.12 -0.04 2.12 2.06 2j6lD1 VAL 320 HG13 -0.14 -0.01 -0.13 -0.04 0.97 0.66 2j6lD1 VAL 320 HG23 -0.52 0.04 -0.01 -0.04 0.95 0.41 2j6lD1 ASN 321 H -0.09 0.61 -0.16 -0.55 8.53 8.34 2j6lD1 ASN 321 HA -0.06 0.04 0.40 -0.75 4.76 4.38 2j6lD1 ASN 321 HB2 -0.04 0.06 0.16 -0.04 2.88 3.02 2j6lD1 ASN 321 HB3 -0.03 -0.03 -0.01 -0.04 2.79 2.68 2j6lD1 ASN 321 HD21 -0.01 -0.06 -0.05 -0.04 7.03 6.87 2j6lD1 ASN 321 HD22 -0.02 -0.06 -0.08 -0.04 7.74 7.54 2j6lD1 ARG 322 H -0.06 0.61 -0.08 -0.55 8.46 8.38 2j6lD1 ARG 322 HA -0.04 0.03 0.53 -0.75 4.34 4.11 2j6lD1 ARG 322 HB2 -0.05 0.08 0.15 -0.04 1.90 2.04 2j6lD1 ARG 322 HB3 -0.03 -0.06 -0.02 -0.04 1.80 1.64 2j6lD1 ARG 322 HG2 -0.02 -0.03 0.02 -0.04 1.67 1.60 2j6lD1 ARG 322 HG3 -0.03 0.07 0.07 -0.04 1.67 1.74 2j6lD1 ARG 322 HD2 -0.02 -0.05 -0.06 -0.04 3.22 3.06 2j6lD1 ARG 322 HD3 -0.03 -0.03 -0.13 -0.04 3.22 3.00 2j6lD1 LEU 323 H -0.10 0.65 -0.18 -0.55 8.37 8.19 2j6lD1 LEU 323 HA -0.05 -0.01 0.45 -0.75 4.35 3.99 2j6lD1 LEU 323 HB2 -0.12 0.08 0.06 -0.04 1.64 1.62 2j6lD1 LEU 323 HB3 -0.23 0.07 0.05 -0.04 1.64 1.49 2j6lD1 LEU 323 HG -0.26 0.01 -0.12 -0.04 1.64 1.23 2j6lD1 LEU 323 HD13 0.07 -0.03 -0.05 -0.04 0.93 0.89 2j6lD1 LEU 323 HD23 -0.11 -0.00 -0.15 -0.04 0.89 0.58 2j6lD1 LYS 324 H -0.17 0.60 -0.12 -0.55 8.42 8.18 2j6lD1 LYS 324 HA -0.43 0.01 0.37 -0.75 4.32 3.52 2j6lD1 LYS 324 HB2 -0.07 0.08 0.13 -0.04 1.87 1.97 2j6lD1 LYS 324 HB3 0.01 -0.00 0.03 -0.04 1.79 1.78 2j6lD1 LYS 324 HG2 -0.13 -0.07 -0.07 -0.04 1.46 1.15 2j6lD1 LYS 324 HG3 -0.14 0.28 0.04 -0.04 1.46 1.60 2j6lD1 LYS 324 HD2 0.03 0.22 -0.01 -0.04 1.69 1.89 2j6lD1 LYS 324 HD3 -0.05 -0.11 -0.09 -0.04 1.68 1.40 2j6lD1 LYS 324 HE2 -0.04 -0.08 -0.11 -0.04 2.99 2.71 2j6lD1 LYS 324 HE3 -0.01 0.02 0.01 -0.04 2.99 2.96 2j6lD1 LYS 325 H -0.07 0.43 -0.23 -0.55 8.42 8.00 2j6lD1 LYS 325 HA -0.02 0.03 0.46 -0.75 4.32 4.04 2j6lD1 LYS 325 HB2 -0.03 0.12 0.18 -0.04 1.87 2.09 2j6lD1 LYS 325 HB3 -0.02 -0.04 -0.01 -0.04 1.79 1.68 2j6lD1 LYS 325 HG2 -0.02 0.01 0.04 -0.04 1.46 1.46 2j6lD1 LYS 325 HG3 -0.02 -0.05 0.02 -0.04 1.46 1.37 2j6lD1 LYS 325 HD2 -0.00 -0.02 0.00 -0.04 1.69 1.62 2j6lD1 LYS 325 HD3 0.00 0.01 0.04 -0.04 1.68 1.69 2j6lD1 LYS 325 HE2 0.00 0.01 -0.01 -0.04 2.99 2.95 2j6lD1 LYS 325 HE3 -0.00 -0.04 -0.01 -0.04 2.99 2.90 2j6lD1 ALA 326 H -0.04 0.44 -0.21 -0.55 8.40 8.04 2j6lD1 ALA 326 HA -0.01 -0.01 0.32 -0.75 4.34 3.89 2j6lD1 ALA 326 HB3 0.03 0.00 0.06 -0.04 1.41 1.46 2j6lD1 TYR 327 H 0.04 0.62 -0.14 -0.55 8.29 8.25 2j6lD1 TYR 327 HA -0.25 -0.02 0.34 -0.75 4.56 3.89 2j6lD1 TYR 327 HB2 -0.78 0.09 0.13 -0.04 3.06 2.46 2j6lD1 TYR 327 HB3 -1.13 0.01 -0.09 -0.04 2.98 1.73 2j6lD1 TYR 327 HD2 -0.24 0.08 -0.14 -0.04 7.15 6.82 2j6lD1 TYR 327 HE2 -0.07 -0.05 -0.31 -0.04 6.85 6.38 2j6lD1 ALA 328 H -0.17 0.46 -0.14 -0.55 8.40 8.00 2j6lD1 ALA 328 HA 0.13 0.03 0.56 -0.75 4.34 4.31 2j6lD1 ALA 328 HB3 0.09 0.02 0.12 -0.04 1.41 1.60 2j6lD1 GLN 329 H -0.03 0.39 -0.45 -0.55 8.47 7.82 2j6lD1 GLN 329 HA -0.01 0.09 0.56 -0.75 4.36 4.25 2j6lD1 GLN 329 HB2 -0.02 0.01 -0.03 -0.04 2.15 2.07 2j6lD1 GLN 329 HB3 -0.01 -0.10 0.10 -0.04 2.02 1.98 2j6lD1 GLN 329 HG2 -0.02 0.31 0.11 -0.04 2.40 2.77 2j6lD1 GLN 329 HG3 -0.01 -0.13 -0.03 -0.04 2.39 2.18 2j6lD1 GLN 329 HE21 0.01 -0.11 -0.05 -0.04 6.97 6.78 2j6lD1 GLN 329 HE22 -0.01 0.58 0.09 -0.04 7.69 8.31 2j6lD1 ILE 330 H -0.07 0.35 -0.30 -0.55 8.25 7.68 2j6lD1 ILE 330 HA -0.05 -0.09 0.43 -0.75 4.18 3.72 2j6lD1 ILE 330 HB -0.17 0.19 0.14 -0.04 1.89 2.01 2j6lD1 ILE 330 HG12 -0.15 -0.10 -0.02 -0.04 1.49 1.18 2j6lD1 ILE 330 HG13 -0.16 0.13 0.09 -0.04 1.21 1.23 2j6lD1 ILE 330 HG23 -0.16 -0.04 -0.27 -0.04 0.93 0.41 2j6lD1 ILE 330 HD13 -0.51 0.00 0.03 -0.04 0.88 0.36 2j6lD1 ARG 331 H -0.00 0.07 0.22 -0.55 8.46 8.20 2j6lD1 ARG 331 HA -0.00 0.13 0.74 -0.75 4.34 4.45 2j6lD1 ARG 331 HB2 -0.00 0.03 0.19 -0.04 1.90 2.08 2j6lD1 ARG 331 HB3 0.01 -0.07 0.33 -0.04 1.80 2.03 2j6lD1 VAL 332 H 0.00 0.23 0.22 -0.55 8.24 8.15 2j6lD1 VAL 332 HA 0.15 0.20 0.88 -0.75 4.13 4.61 2j6lD1 VAL 332 HB -0.01 -0.05 0.07 -0.04 2.12 2.10 2j6lD1 VAL 332 HG13 0.11 0.02 -0.11 -0.04 0.97 0.94 2j6lD1 VAL 332 HG23 0.06 0.05 -0.07 -0.04 0.95 0.95 2j6lD1 GLY 333 H 0.09 0.65 0.30 -0.55 8.43 8.93 2j6lD1 GLY 333 HA2 -0.17 0.04 0.33 -0.51 4.01 3.70 2j6lD1 GLY 333 HA3 -0.11 0.05 0.43 -0.51 4.01 3.87 2j6lD1 ASN 334 H -0.26 0.11 0.13 -0.55 8.53 7.96 2j6lD1 ASN 334 HA -0.42 0.19 0.59 -0.75 4.76 4.36 2j6lD1 ASN 334 HB2 -0.81 -0.04 0.12 -0.04 2.88 2.11 2j6lD1 ASN 334 HB3 -2.45 -0.06 0.01 -0.04 2.79 0.25 2j6lD1 ASN 334 HD21 0.02 0.04 0.00 -0.04 7.03 7.05 2j6lD1 ASN 334 HD22 -0.12 -0.03 0.02 -0.04 7.74 7.57 2j6lD1 PRO 335 HA -0.11 0.09 0.06 -0.51 4.44 3.97 2j6lD1 PRO 335 HB2 0.07 0.11 -0.36 -0.04 2.28 2.06 2j6lD1 PRO 335 HB3 -0.05 0.10 -0.14 -0.04 2.02 1.89 2j6lD1 PRO 335 HG2 0.29 0.04 -0.03 -0.04 2.03 2.29 2j6lD1 PRO 335 HG3 0.03 0.17 0.10 -0.04 2.03 2.29 2j6lD1 PRO 335 HD2 -0.75 -0.00 0.21 -0.04 3.68 3.09 2j6lD1 PRO 335 HD3 -0.18 0.24 0.31 -0.04 3.65 3.97 2j6lD1 TRP 336 H -0.63 0.09 -0.44 -0.55 7.97 6.45 2j6lD1 TRP 336 HA -0.00 0.04 0.72 -0.75 4.62 4.62 2j6lD1 TRP 336 HB2 -0.03 -0.00 0.10 -0.04 3.23 3.26 2j6lD1 TRP 336 HB3 0.03 0.01 -0.02 -0.04 3.23 3.21 2j6lD1 TRP 336 HD1 0.02 0.00 -0.27 -0.04 7.22 6.93 2j6lD1 TRP 336 HE1 0.07 0.01 -0.07 -0.04 10.20 10.17 2j6lD1 TRP 336 HE3 0.11 0.03 -0.20 -0.04 7.59 7.49 2j6lD1 TRP 336 HZ2 0.18 0.02 -0.04 -0.04 7.44 7.56 2j6lD1 TRP 336 HZ3 0.11 0.08 0.03 -0.04 7.13 7.31 2j6lD1 TRP 336 HH2 0.15 -0.04 -0.03 -0.04 7.19 7.23 2j6lD1 ASP 337 H -0.31 0.47 -0.25 -0.55 8.40 7.77 2j6lD1 ASP 337 HA 0.05 0.13 0.59 -0.75 4.63 4.64 2j6lD1 ASP 337 HB2 -0.25 0.12 0.10 -0.04 2.71 2.64 2j6lD1 ASP 337 HB3 -0.08 0.10 -0.01 -0.04 2.70 2.66 2j6lD1 PRO 338 HA 0.01 -0.02 0.36 -0.51 4.44 4.28 2j6lD1 PRO 338 HB2 0.00 0.04 0.04 -0.04 2.28 2.32 2j6lD1 PRO 338 HB3 0.01 0.01 0.09 -0.04 2.02 2.09 2j6lD1 PRO 338 HG2 0.02 0.04 0.09 -0.04 2.03 2.13 2j6lD1 PRO 338 HG3 0.02 0.04 0.11 -0.04 2.03 2.16 2j6lD1 PRO 338 HD2 0.01 0.10 0.18 -0.04 3.68 3.93 2j6lD1 PRO 338 HD3 0.05 0.17 0.26 -0.04 3.65 4.09 2j6lD1 ASN 339 H 0.00 0.08 0.15 -0.55 8.53 8.22 2j6lD1 ASN 339 HA 0.00 -0.02 0.28 -0.75 4.76 4.28 2j6lD1 ASN 339 HB2 -0.01 0.20 -0.08 -0.04 2.88 2.96 2j6lD1 ASN 339 HB3 -0.00 -0.01 0.14 -0.04 2.79 2.87 2j6lD1 ASN 339 HD21 0.00 -0.02 -0.08 -0.04 7.03 6.89 2j6lD1 ASN 339 HD22 -0.00 0.08 -0.15 -0.04 7.74 7.63 2j6lD1 VAL 340 H -0.01 0.32 -0.43 -0.55 8.24 7.56 2j6lD1 VAL 340 HA -0.01 0.11 0.46 -0.75 4.13 3.94 2j6lD1 VAL 340 HB -0.06 0.06 -0.06 -0.04 2.12 2.02 2j6lD1 VAL 340 HG13 -0.03 -0.02 -0.46 -0.04 0.97 0.42 2j6lD1 VAL 340 HG23 -0.09 0.04 -0.27 -0.04 0.95 0.59 2j6lD1 LEU 341 H 0.04 0.66 0.32 -0.55 8.37 8.84 2j6lD1 LEU 341 HA 0.05 0.07 0.88 -0.75 4.35 4.60 2j6lD1 LEU 341 HB2 0.04 0.03 0.13 -0.04 1.64 1.80 2j6lD1 LEU 341 HB3 0.06 -0.06 0.10 -0.04 1.64 1.70 2j6lD1 LEU 341 HG 0.03 0.09 -0.30 -0.04 1.64 1.41 2j6lD1 LEU 341 HD13 0.02 -0.02 0.02 -0.04 0.93 0.91 2j6lD1 LEU 341 HD23 0.05 -0.01 -0.01 -0.04 0.89 0.87 2j6lD1 TYR 342 H 0.10 0.28 0.13 -0.55 8.29 8.25 2j6lD1 TYR 342 HA -0.03 0.03 0.94 -0.75 4.56 4.75 2j6lD1 TYR 342 HB2 -0.04 -0.04 -0.27 -0.04 3.06 2.67 2j6lD1 TYR 342 HB3 -0.00 -0.03 -0.03 -0.04 2.98 2.89 2j6lD1 TYR 342 HD2 -0.01 -0.06 -0.02 -0.04 7.15 7.02 2j6lD1 TYR 342 HE2 -0.04 0.00 0.07 -0.04 6.85 6.85 2j6lD1 GLY 343 H -0.36 0.04 0.10 -0.55 8.43 7.67 2j6lD1 GLY 343 HA2 -0.04 0.28 0.85 -0.51 4.01 4.59 2j6lD1 GLY 343 HA3 -0.22 0.14 0.38 -0.51 4.01 3.80 2j6lD1 PRO 344 HA -0.84 0.06 0.46 -0.51 4.44 3.61 2j6lD1 PRO 344 HB2 -0.40 0.20 -0.05 -0.04 2.28 1.98 2j6lD1 PRO 344 HB3 -1.17 -0.04 -0.08 -0.04 2.02 0.69 2j6lD1 PRO 344 HG2 -0.21 0.09 -0.12 -0.04 2.03 1.75 2j6lD1 PRO 344 HG3 -0.23 -0.14 -0.31 -0.04 2.03 1.30 2j6lD1 PRO 344 HD2 -0.23 0.34 0.28 -0.04 3.68 4.02 2j6lD1 PRO 344 HD3 -0.36 0.10 0.24 -0.04 3.65 3.59 2j6lD1 LEU 345 H -0.29 0.58 0.29 -0.55 8.37 8.40 2j6lD1 LEU 345 HA -0.11 0.15 0.68 -0.75 4.35 4.31 2j6lD1 LEU 345 HB2 -0.12 0.06 0.15 -0.04 1.64 1.69 2j6lD1 LEU 345 HB3 -0.05 -0.22 0.14 -0.04 1.64 1.47 2j6lD1 LEU 345 HG -0.20 0.03 0.14 -0.04 1.64 1.57 2j6lD1 LEU 345 HD13 -0.10 -0.03 -0.10 -0.04 0.93 0.66 2j6lD1 LEU 345 HD23 -0.11 0.02 0.09 -0.04 0.89 0.85 2j6lD1 HIS 346 H 0.03 0.08 0.20 -0.55 8.41 8.18 2j6lD1 HIS 346 HA -0.12 0.30 0.27 -0.75 4.63 4.32 2j6lD1 HIS 346 HB2 -0.10 0.09 0.16 -0.04 3.26 3.37 2j6lD1 HIS 346 HB3 -0.62 -0.15 0.16 -0.04 3.20 2.55 2j6lD1 HIS 346 HD2 -0.87 -0.14 -0.01 -0.04 6.97 5.91 2j6lD1 HIS 346 HE1 0.03 0.20 0.18 -0.04 7.75 8.12 2j6lD1 THR 347 H -0.10 0.06 -0.03 -0.55 8.28 7.66 2j6lD1 THR 347 HA -0.22 0.34 0.95 -0.75 4.39 4.70 2j6lD1 THR 347 HB -0.13 -0.12 0.21 -0.04 4.32 4.25 2j6lD1 THR 347 HG23 -0.26 0.04 -0.11 -0.04 1.22 0.85 2j6lD1 LYS 348 H -0.11 0.21 0.19 -0.55 8.42 8.16 2j6lD1 LYS 348 HA -0.04 0.20 0.64 -0.75 4.32 4.35 2j6lD1 LYS 348 HB2 -0.07 -0.04 0.15 -0.04 1.87 1.87 2j6lD1 LYS 348 HB3 -0.04 0.05 0.06 -0.04 1.79 1.82 2j6lD1 LYS 348 HG2 -0.05 0.09 0.02 -0.04 1.46 1.48 2j6lD1 LYS 348 HG3 -0.10 -0.01 0.06 -0.04 1.46 1.38 2j6lD1 LYS 348 HD2 -0.10 -0.03 0.05 -0.04 1.69 1.56 2j6lD1 LYS 348 HD3 -0.06 0.01 0.02 -0.04 1.68 1.62 2j6lD1 LYS 348 HE2 -0.05 0.04 -0.00 -0.04 2.99 2.93 2j6lD1 LYS 348 HE3 -0.11 0.01 0.02 -0.04 2.99 2.87 2j6lD1 GLN 349 H -0.05 0.10 -0.01 -0.55 8.47 7.96 2j6lD1 GLN 349 HA 0.01 0.12 0.47 -0.75 4.36 4.20 2j6lD1 GLN 349 HB2 -0.02 0.02 0.13 -0.04 2.15 2.24 2j6lD1 GLN 349 HB3 -0.00 0.00 0.03 -0.04 2.02 2.01 2j6lD1 ALA 350 H -0.01 0.03 -0.34 -0.55 8.40 7.53 2j6lD1 ALA 350 HA 0.09 0.05 0.45 -0.75 4.34 4.18 2j6lD1 ALA 350 HB3 0.04 0.08 0.12 -0.04 1.41 1.60 2j6lD1 VAL 351 H 0.01 0.25 -0.31 -0.55 8.24 7.64 2j6lD1 VAL 351 HA 0.07 0.10 0.48 -0.75 4.13 4.02 2j6lD1 VAL 351 HB 0.02 0.11 0.19 -0.04 2.12 2.39 2j6lD1 VAL 351 HG13 0.07 -0.00 -0.09 -0.04 0.97 0.90 2j6lD1 VAL 351 HG23 -0.04 0.06 0.01 -0.04 0.95 0.94 2j6lD1 SER 352 H 0.05 0.41 -0.07 -0.55 8.46 8.31 2j6lD1 SER 352 HA 0.07 0.03 0.43 -0.75 4.49 4.27 2j6lD1 SER 352 HB2 0.04 0.08 0.18 -0.04 3.95 4.20 2j6lD1 SER 352 HB3 0.04 -0.03 0.04 -0.04 3.93 3.93 2j6lD1 MET 353 H 0.09 0.60 -0.07 -0.55 8.47 8.54 2j6lD1 MET 353 HA 0.08 -0.01 0.45 -0.75 4.52 4.28 2j6lD1 MET 353 HB2 0.13 0.11 0.12 -0.04 2.15 2.47 2j6lD1 MET 353 HB3 0.12 -0.03 0.00 -0.04 2.03 2.08 2j6lD1 MET 353 HG2 0.07 0.13 0.05 -0.04 2.63 2.84 2j6lD1 MET 353 HG3 0.09 -0.07 -0.01 -0.04 2.56 2.54 2j6lD1 MET 353 HE3 0.08 -0.00 0.02 -0.04 2.10 2.16 2j6lD1 PHE 354 H 0.24 0.56 -0.26 -0.55 8.34 8.33 2j6lD1 PHE 354 HA 0.06 -0.00 0.39 -0.75 4.62 4.32 2j6lD1 PHE 354 HB2 0.05 0.02 0.06 -0.04 3.15 3.24 2j6lD1 PHE 354 HB3 0.04 0.15 0.20 -0.04 3.06 3.42 2j6lD1 PHE 354 HD2 0.04 -0.01 -0.15 -0.04 7.28 7.11 2j6lD1 PHE 354 HE2 0.04 0.03 -0.33 -0.04 7.38 7.08 2j6lD1 PHE 354 HZ 0.04 -0.14 -0.16 -0.04 7.32 7.02 2j6lD1 LEU 355 H 0.18 0.51 -0.10 -0.55 8.37 8.41 2j6lD1 LEU 355 HA -0.23 0.07 0.35 -0.75 4.35 3.79 2j6lD1 LEU 355 HB2 0.06 0.06 0.16 -0.04 1.64 1.87 2j6lD1 LEU 355 HB3 0.01 -0.05 0.04 -0.04 1.64 1.60 2j6lD1 LEU 355 HG 0.27 0.16 0.05 -0.04 1.64 2.08 2j6lD1 LEU 355 HD13 0.08 -0.03 -0.01 -0.04 0.93 0.94 2j6lD1 LEU 355 HD23 0.13 -0.02 0.02 -0.04 0.89 0.97 2j6lD1 GLY 356 H 0.02 0.65 -0.06 -0.55 8.43 8.49 2j6lD1 GLY 356 HA2 -0.00 -0.02 0.48 -0.51 4.01 3.96 2j6lD1 GLY 356 HA3 0.02 0.04 0.30 -0.51 4.01 3.86 2j6lD1 ALA 357 H -0.01 0.61 -0.19 -0.55 8.40 8.27 2j6lD1 ALA 357 HA 0.04 -0.04 0.39 -0.75 4.34 3.97 2j6lD1 ALA 357 HB3 0.07 0.04 0.08 -0.04 1.41 1.55 2j6lD1 VAL 358 H -0.22 0.61 -0.05 -0.55 8.24 8.04 2j6lD1 VAL 358 HA -0.09 -0.02 0.41 -0.75 4.13 3.68 2j6lD1 VAL 358 HB -0.28 0.13 0.18 -0.04 2.12 2.11 2j6lD1 VAL 358 HG13 -0.12 0.01 -0.10 -0.04 0.97 0.71 2j6lD1 VAL 358 HG23 -0.62 0.04 0.02 -0.04 0.95 0.35 2j6lD1 GLU 359 H -0.07 0.58 -0.13 -0.55 8.60 8.44 2j6lD1 GLU 359 HA -0.03 0.02 0.48 -0.75 4.29 4.00 2j6lD1 GLU 359 HB2 -0.03 0.04 0.13 -0.04 2.09 2.18 2j6lD1 GLU 359 HB3 -0.02 0.12 0.18 -0.04 1.99 2.22 2j6lD1 GLU 359 HG2 -0.01 -0.02 -0.00 -0.04 2.34 2.26 2j6lD1 GLU 359 HG3 -0.01 -0.03 -0.16 -0.04 2.34 2.09 2j6lD1 GLU 360 H -0.01 0.60 -0.13 -0.55 8.60 8.51 2j6lD1 GLU 360 HA -0.01 -0.01 0.47 -0.75 4.29 3.99 2j6lD1 GLU 360 HB2 0.01 0.05 0.11 -0.04 2.09 2.21 2j6lD1 GLU 360 HB3 0.02 0.12 0.16 -0.04 1.99 2.24 2j6lD1 GLU 360 HG2 0.00 -0.01 -0.03 -0.04 2.34 2.26 2j6lD1 GLU 360 HG3 -0.01 -0.08 -0.17 -0.04 2.34 2.04 2j6lD1 ALA 361 H 0.03 0.79 -0.05 -0.55 8.40 8.62 2j6lD1 ALA 361 HA 0.02 -0.08 0.44 -0.75 4.34 3.97 2j6lD1 ALA 361 HB3 0.14 0.04 0.01 -0.04 1.41 1.55 2j6lD1 LYS 362 H -0.00 0.47 -0.31 -0.55 8.42 8.02 2j6lD1 LYS 362 HA -0.01 0.23 0.44 -0.75 4.32 4.23 2j6lD1 LYS 362 HB2 -0.01 0.15 0.20 -0.04 1.87 2.17 2j6lD1 LYS 362 HB3 -0.01 -0.05 0.03 -0.04 1.79 1.71 2j6lD1 LYS 362 HG2 -0.02 -0.03 0.05 -0.04 1.46 1.42 2j6lD1 LYS 362 HG3 -0.02 0.11 0.04 -0.04 1.46 1.55 2j6lD1 LYS 362 HD2 -0.03 0.00 -0.01 -0.04 1.69 1.61 2j6lD1 LYS 362 HD3 -0.02 -0.04 0.02 -0.04 1.68 1.60 2j6lD1 LYS 362 HE2 -0.02 -0.05 0.01 -0.04 2.99 2.89 2j6lD1 LYS 362 HE3 -0.04 0.01 -0.05 -0.04 2.99 2.87 2j6lD1 LYS 363 H -0.01 0.47 -0.04 -0.55 8.42 8.29 2j6lD1 LYS 363 HA -0.01 0.05 0.50 -0.75 4.32 4.10 2j6lD1 LYS 363 HB2 -0.01 -0.06 0.10 -0.04 1.87 1.86 2j6lD1 LYS 363 HB3 -0.01 0.02 0.14 -0.04 1.79 1.90 2j6lD1 GLU 364 H -0.01 0.47 -0.27 -0.55 8.60 8.24 2j6lD1 GLU 364 HA -0.03 0.07 0.65 -0.75 4.29 4.23 2j6lD1 GLU 364 HB2 -0.03 0.10 0.14 -0.04 2.09 2.26 2j6lD1 GLU 364 HB3 -0.05 -0.14 0.19 -0.04 1.99 1.95 2j6lD1 GLU 364 HG2 -0.04 -0.02 0.05 -0.04 2.34 2.30 2j6lD1 GLU 364 HG3 -0.03 0.12 0.01 -0.04 2.34 2.40 2j6lD1 GLY 365 H -0.01 0.35 -0.53 -0.55 8.43 7.69 2j6lD1 GLY 365 HA2 -0.01 0.04 0.24 -0.51 4.01 3.77 2j6lD1 GLY 365 HA3 -0.02 0.04 0.55 -0.51 4.01 4.06 2j6lD1 GLY 366 H -0.00 0.55 0.08 -0.55 8.43 8.51 2j6lD1 GLY 366 HA2 -0.00 0.12 0.58 -0.51 4.01 4.19 2j6lD1 GLY 366 HA3 0.02 -0.08 0.14 -0.51 4.01 3.58 2j6lD1 THR 367 H -0.01 0.70 0.29 -0.55 8.28 8.71 2j6lD1 THR 367 HA -0.01 0.15 0.85 -0.75 4.39 4.62 2j6lD1 THR 367 HB -0.01 -0.10 0.09 -0.04 4.32 4.26 2j6lD1 THR 367 HG23 -0.01 -0.00 -0.19 -0.04 1.22 0.97 2j6lD1 VAL 368 H -0.02 0.20 0.06 -0.55 8.24 7.93 2j6lD1 VAL 368 HA -0.03 0.18 0.85 -0.75 4.13 4.38 2j6lD1 VAL 368 HB -0.03 -0.01 0.11 -0.04 2.12 2.15 2j6lD1 VAL 368 HG13 -0.02 0.02 -0.37 -0.04 0.97 0.55 2j6lD1 VAL 368 HG23 -0.04 0.00 -0.05 -0.04 0.95 0.83 2j6lD1 VAL 369 H -0.03 0.51 0.34 -0.55 8.24 8.51 2j6lD1 VAL 369 HA -0.01 0.14 0.70 -0.75 4.13 4.20 2j6lD1 VAL 369 HB -0.02 -0.03 0.06 -0.04 2.12 2.09 2j6lD1 VAL 369 HG13 -0.02 0.01 -0.07 -0.04 0.97 0.85 2j6lD1 VAL 369 HG23 -0.07 0.03 -0.12 -0.04 0.95 0.75 2j6lD1 TYR 370 H 0.03 0.29 0.12 -0.55 8.29 8.18 2j6lD1 TYR 370 HA -0.03 0.09 0.39 -0.75 4.56 4.26 2j6lD1 TYR 370 HB2 -0.12 0.05 -0.02 -0.04 3.06 2.93 2j6lD1 TYR 370 HB3 -0.17 -0.09 0.06 -0.04 2.98 2.74 2j6lD1 TYR 370 HD2 0.05 0.10 -0.08 -0.04 7.15 7.17 2j6lD1 TYR 370 HE2 0.04 0.03 -0.01 -0.04 6.85 6.86 2j6lD1 GLY 371 H -0.55 0.13 0.08 -0.55 8.43 7.54 2j6lD1 GLY 371 HA2 -0.18 0.01 0.26 -0.51 4.01 3.59 2j6lD1 GLY 371 HA3 0.10 0.29 0.24 -0.51 4.01 4.13 2j6lD1 GLY 372 H 0.25 0.33 0.05 -0.55 8.43 8.51 2j6lD1 GLY 372 HA2 -0.01 0.02 0.29 -0.51 4.01 3.80 2j6lD1 GLY 372 HA3 -0.00 0.12 0.51 -0.51 4.01 4.12 2j6lD1 LYS 373 H 0.15 0.07 -0.26 -0.55 8.42 7.82 2j6lD1 LYS 373 HA 0.17 0.18 0.92 -0.75 4.32 4.83 2j6lD1 LYS 373 HB2 0.05 0.02 -0.09 -0.04 1.87 1.80 2j6lD1 LYS 373 HB3 0.06 0.02 0.07 -0.04 1.79 1.90 2j6lD1 LYS 373 HG2 0.02 0.02 -0.15 -0.04 1.46 1.30 2j6lD1 LYS 373 HG3 0.01 0.04 -0.24 -0.04 1.46 1.24 2j6lD1 VAL 374 H 0.14 0.09 0.14 -0.55 8.24 8.06 2j6lD1 VAL 374 HA 0.05 0.09 0.83 -0.75 4.13 4.35 2j6lD1 VAL 374 HB 0.07 -0.07 0.10 -0.04 2.12 2.17 2j6lD1 VAL 374 HG13 0.05 0.10 0.04 -0.04 0.97 1.12 2j6lD1 VAL 374 HG23 0.12 -0.02 0.04 -0.04 0.95 1.05 2j6lD1 MET 375 H 0.06 0.52 0.15 -0.55 8.47 8.66 2j6lD1 MET 375 HA 0.02 0.07 0.70 -0.75 4.52 4.55 2j6lD1 MET 375 HB2 0.09 0.04 -0.11 -0.04 2.15 2.12 2j6lD1 MET 375 HB3 -0.00 0.01 -0.14 -0.04 2.03 1.86 2j6lD1 MET 375 HG2 0.03 -0.00 -0.14 -0.04 2.63 2.48 2j6lD1 MET 375 HG3 0.08 -0.09 -0.39 -0.04 2.56 2.11 2j6lD1 MET 375 HE3 0.12 0.10 -0.17 -0.04 2.10 2.11 2j6lD1 ASP 376 H -0.00 0.13 0.04 -0.55 8.40 8.02 2j6lD1 ASP 376 HA 0.01 0.10 0.58 -0.75 4.63 4.57 2j6lD1 ASP 376 HB2 0.00 0.01 0.07 -0.04 2.71 2.75 2j6lD1 ASP 376 HB3 -0.01 -0.02 0.20 -0.04 2.70 2.83 2j6lD1 ARG 377 H 0.01 0.58 0.12 -0.55 8.46 8.61 2j6lD1 ARG 377 HA -0.04 0.04 0.43 -0.75 4.34 4.02 2j6lD1 ARG 377 HB2 -0.15 0.01 0.08 -0.04 1.90 1.80 2j6lD1 ARG 377 HB3 -0.11 0.05 -0.20 -0.04 1.80 1.50 2j6lD1 ARG 377 HG2 -0.06 -0.04 -0.32 -0.04 1.67 1.21 2j6lD1 ARG 377 HG3 -0.27 0.26 -0.29 -0.04 1.67 1.33 2j6lD1 ARG 377 HD2 -0.19 -0.06 -0.23 -0.04 3.22 2.70 2j6lD1 ARG 377 HD3 -0.45 -0.04 -0.18 -0.04 3.22 2.51 2j6lD1 PRO 378 HA 0.05 0.02 0.56 -0.51 4.44 4.55 2j6lD1 PRO 378 HB2 0.05 0.08 0.09 -0.04 2.28 2.47 2j6lD1 PRO 378 HB3 0.05 0.01 0.14 -0.04 2.02 2.18 2j6lD1 PRO 378 HG2 0.02 0.02 0.10 -0.04 2.03 2.12 2j6lD1 PRO 378 HG3 0.02 0.01 0.08 -0.04 2.03 2.10 2j6lD1 PRO 378 HD2 -0.05 0.11 0.20 -0.04 3.68 3.90 2j6lD1 PRO 378 HD3 -0.02 0.09 0.19 -0.04 3.65 3.86 2j6lD1 GLY 379 H 0.08 -0.00 0.07 -0.55 8.43 8.03 2j6lD1 GLY 379 HA2 0.07 -0.10 0.08 -0.51 4.01 3.55 2j6lD1 GLY 379 HA3 0.22 0.23 0.44 -0.51 4.01 4.39 2j6lD1 ASN 380 H -0.11 0.58 0.21 -0.55 8.53 8.66 2j6lD1 ASN 380 HA -0.02 0.12 0.49 -0.75 4.76 4.59 2j6lD1 ASN 380 HB2 -0.17 0.30 0.18 -0.04 2.88 3.15 2j6lD1 ASN 380 HB3 -0.10 -0.07 0.05 -0.04 2.79 2.63 2j6lD1 ASN 380 HD21 -0.12 -0.11 -0.11 -0.04 7.03 6.64 2j6lD1 ASN 380 HD22 -0.14 0.35 -0.29 -0.04 7.74 7.62 2j6lD1 TYR 381 H 0.22 0.46 -0.27 -0.55 8.29 8.15 2j6lD1 TYR 381 HA -0.08 0.06 0.59 -0.75 4.56 4.37 2j6lD1 TYR 381 HB2 -0.01 0.07 -0.02 -0.04 3.06 3.06 2j6lD1 TYR 381 HB3 0.02 0.01 -0.13 -0.04 2.98 2.85 2j6lD1 TYR 381 HD2 -0.01 0.09 -0.23 -0.04 7.15 6.96 2j6lD1 TYR 381 HE2 -0.07 0.16 0.09 -0.04 6.85 6.98 2j6lD1 VAL 382 H -0.01 0.30 0.27 -0.55 8.24 8.25 2j6lD1 VAL 382 HA -0.07 0.02 1.02 -0.75 4.13 4.35 2j6lD1 VAL 382 HB -1.16 0.06 -0.03 -0.04 2.12 0.95 2j6lD1 VAL 382 HG13 -0.31 -0.01 -0.17 -0.04 0.97 0.44 2j6lD1 VAL 382 HG23 -0.59 0.01 -0.15 -0.04 0.95 0.18 2j6lD1 GLU 383 H 0.01 0.64 0.21 -0.55 8.60 8.92 2j6lD1 GLU 383 HA 0.02 0.13 0.58 -0.75 4.29 4.27 2j6lD1 GLU 383 HB2 0.13 -0.23 0.13 -0.04 2.09 2.08 2j6lD1 GLU 383 HB3 0.08 0.09 -0.02 -0.04 1.99 2.09 2j6lD1 GLU 383 HG2 0.01 0.05 -0.02 -0.04 2.34 2.34 2j6lD1 GLU 383 HG3 0.04 0.03 -0.13 -0.04 2.34 2.24 2j6lD1 PRO 384 HA 0.11 0.21 0.56 -0.51 4.44 4.81 2j6lD1 PRO 384 HB2 -0.25 -0.01 -0.05 -0.04 2.28 1.93 2j6lD1 PRO 384 HB3 -0.24 0.04 0.11 -0.04 2.02 1.88 2j6lD1 PRO 384 HG2 -0.12 -0.02 0.05 -0.04 2.03 1.90 2j6lD1 PRO 384 HG3 -0.70 0.04 0.08 -0.04 2.03 1.41 2j6lD1 PRO 384 HD2 -0.07 0.02 0.22 -0.04 3.68 3.81 2j6lD1 PRO 384 HD3 -0.65 0.21 0.24 -0.04 3.65 3.41 2j6lD1 THR 385 H 0.24 0.53 0.26 -0.55 8.28 8.77 2j6lD1 THR 385 HA 0.26 0.28 0.83 -0.75 4.39 5.00 2j6lD1 THR 385 HB 0.19 0.08 0.22 -0.04 4.32 4.77 2j6lD1 THR 385 HG23 -0.00 -0.00 -0.14 -0.04 1.22 1.04 2j6lD1 ILE 386 H 0.05 0.53 0.31 -0.55 8.25 8.59 2j6lD1 ILE 386 HA -0.13 0.28 1.00 -0.75 4.18 4.58 2j6lD1 ILE 386 HB -0.14 -0.11 0.10 -0.04 1.89 1.71 2j6lD1 ILE 386 HG12 -0.48 0.05 -0.16 -0.04 1.49 0.87 2j6lD1 ILE 386 HG13 -0.51 -0.00 -0.40 -0.04 1.21 0.26 2j6lD1 ILE 386 HG23 -0.19 -0.01 -0.15 -0.04 0.93 0.54 2j6lD1 ILE 386 HD13 -0.98 -0.00 -0.20 -0.04 0.88 -0.34 2j6lD1 VAL 387 H -0.16 0.78 0.32 -0.55 8.24 8.64 2j6lD1 VAL 387 HA -0.05 0.27 1.07 -0.75 4.13 4.67 2j6lD1 VAL 387 HB 0.01 -0.01 0.06 -0.04 2.12 2.13 2j6lD1 VAL 387 HG13 0.06 -0.02 -0.26 -0.04 0.97 0.71 2j6lD1 VAL 387 HG23 -0.05 -0.01 -0.24 -0.04 0.95 0.62 2j6lD1 THR 388 H -0.04 0.55 0.34 -0.55 8.28 8.58 2j6lD1 THR 388 HA -0.10 0.24 1.05 -0.75 4.39 4.83 2j6lD1 THR 388 HB 0.04 -0.05 0.15 -0.04 4.32 4.42 2j6lD1 THR 388 HG23 -0.03 -0.01 -0.07 -0.04 1.22 1.07 2j6lD1 GLY 389 H -0.03 0.19 0.20 -0.55 8.43 8.25 2j6lD1 GLY 389 HA2 -0.01 -0.04 0.36 -0.51 4.01 3.81 2j6lD1 GLY 389 HA3 -0.01 0.15 0.38 -0.51 4.01 4.03 2j6lD1 LEU 390 H -0.04 0.07 -0.37 -0.55 8.37 7.49 2j6lD1 LEU 390 HA 0.01 0.17 0.47 -0.75 4.35 4.25 2j6lD1 LEU 390 HB2 0.05 -0.02 -0.08 -0.04 1.64 1.55 2j6lD1 LEU 390 HB3 0.10 0.12 -0.08 -0.04 1.64 1.74 2j6lD1 LEU 390 HG 0.03 -0.02 -0.12 -0.04 1.64 1.48 2j6lD1 LEU 390 HD13 -0.05 -0.02 -0.08 -0.04 0.93 0.73 2j6lD1 LEU 390 HD23 -0.02 0.03 -0.13 -0.04 0.89 0.74 2j6lD1 GLY 391 H -0.03 0.17 0.17 -0.55 8.43 8.19 2j6lD1 GLY 391 HA2 -0.06 0.09 0.65 -0.51 4.01 4.17 2j6lD1 GLY 391 HA3 -0.17 0.01 0.34 -0.51 4.01 3.68 2j6lD1 HIS 392 H -0.30 0.14 0.13 -0.55 8.41 7.83 2j6lD1 HIS 392 HA -1.21 0.13 0.41 -0.75 4.63 3.22 2j6lD1 HIS 392 HB2 -0.57 0.09 0.03 -0.04 3.26 2.77 2j6lD1 HIS 392 HB3 -0.89 -0.02 0.10 -0.04 3.20 2.36 2j6lD1 HIS 392 HD2 -1.19 -0.01 0.06 -0.04 6.97 5.79 2j6lD1 HIS 392 HE1 -0.19 0.05 -0.08 -0.04 7.75 7.49 2j6lD1 ASP 393 H -0.79 -0.04 -0.42 -0.55 8.40 6.60 2j6lD1 ASP 393 HA -0.46 0.29 0.64 -0.75 4.63 4.34 2j6lD1 ASP 393 HB2 -0.36 0.04 0.09 -0.04 2.71 2.43 2j6lD1 ASP 393 HB3 -0.45 0.01 -0.05 -0.04 2.70 2.17 2j6lD1 ALA 394 H -0.21 0.46 -0.40 -0.55 8.40 7.70 2j6lD1 ALA 394 HA -0.16 0.02 0.51 -0.75 4.34 3.95 2j6lD1 ALA 394 HB3 -0.09 -0.01 0.09 -0.04 1.41 1.36 2j6lD1 SER 395 H -0.12 0.15 0.19 -0.55 8.46 8.13 2j6lD1 SER 395 HA -0.11 0.13 0.31 -0.75 4.49 4.06 2j6lD1 SER 395 HB2 -0.07 0.05 0.15 -0.04 3.95 4.03 2j6lD1 SER 395 HB3 -0.05 -0.04 0.11 -0.04 3.93 3.91 2j6lD1 ILE 396 H -0.08 0.06 -0.21 -0.55 8.25 7.47 2j6lD1 ILE 396 HA -0.02 0.07 0.33 -0.75 4.18 3.81 2j6lD1 ILE 396 HB -0.03 -0.03 -0.04 -0.04 1.89 1.75 2j6lD1 ILE 396 HG12 0.07 0.08 -0.01 -0.04 1.49 1.59 2j6lD1 ILE 396 HG13 0.08 0.07 -0.06 -0.04 1.21 1.26 2j6lD1 ILE 396 HG23 -0.19 0.00 -0.14 -0.04 0.93 0.57 2j6lD1 ILE 396 HD13 0.05 -0.01 0.00 -0.04 0.88 0.88 2j6lD1 ALA 397 H -0.20 0.04 -0.33 -0.55 8.40 7.37 2j6lD1 ALA 397 HA -0.55 0.11 0.50 -0.75 4.34 3.65 2j6lD1 ALA 397 HB3 0.00 0.01 -0.02 -0.04 1.41 1.36 2j6lD1 HIS 398 H 0.10 0.28 -0.44 -0.55 8.41 7.80 2j6lD1 HIS 398 HA 0.02 0.11 0.70 -0.75 4.63 4.71 2j6lD1 HIS 398 HB2 -0.03 0.08 0.04 -0.04 3.26 3.30 2j6lD1 HIS 398 HB3 -0.01 -0.13 0.08 -0.04 3.20 3.09 2j6lD1 HIS 398 HD2 -0.06 0.03 -0.29 -0.04 6.97 6.61 2j6lD1 HIS 398 HE1 0.01 0.02 -0.16 -0.04 7.75 7.57 2j6lD1 THR 399 H 0.07 0.26 -0.29 -0.55 8.28 7.78 2j6lD1 THR 399 HA 0.09 0.00 0.75 -0.75 4.39 4.47 2j6lD1 THR 399 HB 0.08 0.14 0.08 -0.04 4.32 4.58 2j6lD1 THR 399 HG23 0.09 -0.03 -0.20 -0.04 1.22 1.04 2j6lD1 GLU 400 H 0.12 0.04 0.12 -0.55 8.60 8.33 2j6lD1 GLU 400 HA 0.19 0.24 0.79 -0.75 4.29 4.75 2j6lD1 GLU 400 HB2 0.15 0.07 0.12 -0.04 2.09 2.38 2j6lD1 GLU 400 HB3 0.14 -0.18 0.22 -0.04 1.99 2.13 2j6lD1 GLU 400 HG2 0.33 -0.06 -0.33 -0.04 2.34 2.25 2j6lD1 GLU 400 HG3 0.27 0.28 0.10 -0.04 2.34 2.95 2j6lD1 THR 401 H 0.22 0.39 0.17 -0.55 8.28 8.52 2j6lD1 THR 401 HA 0.20 0.04 0.88 -0.75 4.39 4.76 2j6lD1 THR 401 HB 0.20 0.09 0.14 -0.04 4.32 4.70 2j6lD1 THR 401 HG23 0.17 -0.01 -0.20 -0.04 1.22 1.14 2j6lD1 PHE 402 H 0.33 0.06 0.01 -0.55 8.34 8.19 2j6lD1 PHE 402 HA 0.12 0.22 0.44 -0.75 4.62 4.65 2j6lD1 PHE 402 HB2 0.14 -0.08 0.10 -0.04 3.15 3.27 2j6lD1 PHE 402 HB3 0.18 -0.07 0.23 -0.04 3.06 3.36 2j6lD1 PHE 402 HD2 0.24 -0.02 -0.03 -0.04 7.28 7.42 2j6lD1 PHE 402 HE2 -0.11 0.02 -0.14 -0.04 7.38 7.11 2j6lD1 PHE 402 HZ -0.02 -0.12 -0.50 -0.04 7.32 6.64 2j6lD1 ALA 403 H 0.05 0.68 0.41 -0.55 8.40 8.99 2j6lD1 ALA 403 HA 0.02 0.15 0.57 -0.75 4.34 4.32 2j6lD1 ALA 403 HB3 0.24 -0.01 -0.21 -0.04 1.41 1.39 2j6lD1 PRO 404 HA 0.04 0.25 0.53 -0.51 4.44 4.75 2j6lD1 PRO 404 HB2 0.09 -0.15 0.16 -0.04 2.28 2.34 2j6lD1 PRO 404 HB3 0.06 0.03 -0.20 -0.04 2.02 1.87 2j6lD1 PRO 404 HG2 0.03 -0.00 -0.03 -0.04 2.03 1.98 2j6lD1 PRO 404 HG3 0.08 0.05 -0.02 -0.04 2.03 2.10 2j6lD1 PRO 404 HD2 -0.02 -0.01 0.06 -0.04 3.68 3.67 2j6lD1 PRO 404 HD3 -0.04 0.29 0.20 -0.04 3.65 4.06 2j6lD1 ILE 405 H 0.04 0.62 0.26 -0.55 8.25 8.62 2j6lD1 ILE 405 HA -0.01 0.12 0.80 -0.75 4.18 4.33 2j6lD1 ILE 405 HB -0.10 0.05 0.10 -0.04 1.89 1.90 2j6lD1 ILE 405 HG12 -0.02 -0.01 -0.10 -0.04 1.49 1.32 2j6lD1 ILE 405 HG13 0.25 -0.05 -0.53 -0.04 1.21 0.84 2j6lD1 ILE 405 HG23 -0.56 -0.03 -0.22 -0.04 0.93 0.08 2j6lD1 ILE 405 HD13 -0.03 -0.00 -0.09 -0.04 0.88 0.72 2j6lD1 LEU 406 H -0.15 0.58 0.24 -0.55 8.37 8.49 2j6lD1 LEU 406 HA -0.12 0.27 0.89 -0.75 4.35 4.64 2j6lD1 LEU 406 HB2 0.03 0.07 -0.07 -0.04 1.64 1.63 2j6lD1 LEU 406 HB3 -0.06 -0.05 0.14 -0.04 1.64 1.63 2j6lD1 LEU 406 HG -0.08 -0.05 -0.46 -0.04 1.64 1.02 2j6lD1 LEU 406 HD13 0.04 0.04 -0.44 -0.04 0.93 0.52 2j6lD1 LEU 406 HD23 -0.01 -0.03 -0.18 -0.04 0.89 0.63 2j6lD1 TYR 407 H -0.04 0.76 0.25 -0.55 8.29 8.71 2j6lD1 TYR 407 HA -0.22 0.13 0.83 -0.75 4.56 4.54 2j6lD1 TYR 407 HB2 0.02 0.05 0.24 -0.04 3.06 3.34 2j6lD1 TYR 407 HB3 -0.33 -0.05 0.00 -0.04 2.98 2.57 2j6lD1 TYR 407 HD2 0.02 0.10 0.03 -0.04 7.15 7.25 2j6lD1 TYR 407 HE2 0.04 0.02 -0.06 -0.04 6.85 6.81 2j6lD1 VAL 408 H -0.34 0.73 0.43 -0.55 8.24 8.51 2j6lD1 VAL 408 HA -0.28 0.26 0.98 -0.75 4.13 4.33 2j6lD1 VAL 408 HB -0.14 -0.07 0.11 -0.04 2.12 1.98 2j6lD1 VAL 408 HG13 -0.08 -0.02 -0.09 -0.04 0.97 0.74 2j6lD1 VAL 408 HG23 -0.17 0.02 -0.16 -0.04 0.95 0.61 2j6lD1 PHE 409 H -0.03 0.76 0.48 -0.55 8.34 9.00 2j6lD1 PHE 409 HA 0.05 0.12 0.95 -0.75 4.62 4.99 2j6lD1 PHE 409 HB2 -0.16 -0.08 0.02 -0.04 3.15 2.89 2j6lD1 PHE 409 HB3 0.10 0.02 0.10 -0.04 3.06 3.23 2j6lD1 PHE 409 HD2 -0.59 0.03 -0.17 -0.04 7.28 6.51 2j6lD1 PHE 409 HE2 -0.12 0.06 -0.35 -0.04 7.38 6.92 2j6lD1 PHE 409 HZ -0.08 0.03 -0.12 -0.04 7.32 7.11 2j6lD1 LYS 410 H 0.20 0.15 0.20 -0.55 8.42 8.42 2j6lD1 LYS 410 HA 0.21 0.34 0.93 -0.75 4.32 5.04 2j6lD1 LYS 410 HB2 0.04 0.01 0.12 -0.04 1.87 2.00 2j6lD1 LYS 410 HB3 -0.04 -0.04 0.09 -0.04 1.79 1.75 2j6lD1 LYS 410 HG2 -0.48 0.00 0.06 -0.04 1.46 0.99 2j6lD1 LYS 410 HG3 -0.51 -0.01 0.02 -0.04 1.46 0.92 2j6lD1 LYS 410 HD2 -0.17 0.03 0.04 -0.04 1.69 1.55 2j6lD1 LYS 410 HD3 -0.19 -0.03 0.05 -0.04 1.68 1.48 2j6lD1 LYS 410 HE2 -0.46 -0.03 0.02 -0.04 2.99 2.49 2j6lD1 LYS 410 HE3 -0.78 0.01 -0.01 -0.04 2.99 2.17 2j6lD1 PHE 411 H -0.08 0.39 0.25 -0.55 8.34 8.34 2j6lD1 PHE 411 HA 0.26 0.14 0.35 -0.75 4.62 4.62 2j6lD1 PHE 411 HB2 -0.12 -0.09 0.09 -0.04 3.15 2.99 2j6lD1 PHE 411 HB3 0.41 0.17 -0.21 -0.04 3.06 3.39 2j6lD1 PHE 411 HD2 0.05 -0.02 -0.51 -0.04 7.28 6.76 2j6lD1 PHE 411 HE2 -0.18 0.04 -0.40 -0.04 7.38 6.81 2j6lD1 PHE 411 HZ -1.17 -0.06 -0.33 -0.04 7.32 5.72 2j6lD1 GLN 412 H 0.13 0.10 0.17 -0.55 8.47 8.32 2j6lD1 GLN 412 HA -0.35 0.12 1.04 -0.75 4.36 4.41 2j6lD1 GLN 412 HB2 0.02 -0.02 0.18 -0.04 2.15 2.30 2j6lD1 GLN 412 HB3 0.01 0.04 0.04 -0.04 2.02 2.07 2j6lD1 GLN 412 HG2 -0.14 -0.00 0.03 -0.04 2.40 2.24 2j6lD1 GLN 412 HG3 -0.03 -0.02 -0.16 -0.04 2.39 2.13 2j6lD1 GLN 412 HE21 0.00 0.06 0.01 -0.04 6.97 6.99 2j6lD1 GLN 412 HE22 -0.04 -0.03 0.02 -0.04 7.69 7.60 2j6lD1 ASN 413 H 0.05 0.08 0.21 -0.55 8.53 8.32 2j6lD1 ASN 413 HA 0.16 0.28 1.01 -0.75 4.76 5.46 2j6lD1 ASN 413 HB2 -0.02 -0.05 0.14 -0.04 2.88 2.91 2j6lD1 ASN 413 HB3 0.02 0.12 -0.00 -0.04 2.79 2.89 2j6lD1 ASN 413 HD21 -0.06 0.11 0.05 -0.04 7.03 7.09 2j6lD1 ASN 413 HD22 -0.01 0.04 0.04 -0.04 7.74 7.77 2j6lD1 GLU 414 H 0.02 0.20 0.17 -0.55 8.60 8.45 2j6lD1 GLU 414 HA -0.06 0.10 0.33 -0.75 4.29 3.91 2j6lD1 GLU 414 HB2 -0.04 -0.01 0.10 -0.04 2.09 2.10 2j6lD1 GLU 414 HB3 -0.18 -0.01 0.16 -0.04 1.99 1.92 2j6lD1 GLU 414 HG2 -0.95 0.09 -0.28 -0.04 2.34 1.16 2j6lD1 GLU 414 HG3 -1.19 0.03 -0.02 -0.04 2.34 1.11 2j6lD1 GLU 415 H -0.20 0.06 -0.05 -0.55 8.60 7.86 2j6lD1 GLU 415 HA -0.24 0.20 0.29 -0.75 4.29 3.78 2j6lD1 GLU 415 HB2 -0.12 0.02 0.09 -0.04 2.09 2.03 2j6lD1 GLU 415 HB3 -0.14 -0.09 0.08 -0.04 1.99 1.81 2j6lD1 GLU 415 HG2 -0.10 0.01 -0.18 -0.04 2.34 2.03 2j6lD1 GLU 415 HG3 -0.07 0.10 0.02 -0.04 2.34 2.34 2j6lD1 GLU 416 H -0.31 -0.03 -0.28 -0.55 8.60 7.43 2j6lD1 GLU 416 HA -0.52 0.16 0.35 -0.75 4.29 3.52 2j6lD1 GLU 416 HB2 -0.90 0.09 0.08 -0.04 2.09 1.31 2j6lD1 GLU 416 HB3 -0.36 -0.02 0.09 -0.04 1.99 1.66 2j6lD1 GLU 416 HG2 -0.42 0.10 0.15 -0.04 2.34 2.13 2j6lD1 GLU 416 HG3 -1.34 0.10 -0.05 -0.04 2.34 1.01 2j6lD1 VAL 417 H -0.61 0.31 -0.17 -0.55 8.24 7.22 2j6lD1 VAL 417 HA -0.90 0.06 0.25 -0.75 4.13 2.79 2j6lD1 VAL 417 HB -1.06 -0.08 -0.00 -0.04 2.12 0.95 2j6lD1 VAL 417 HG13 -0.76 0.01 -0.10 -0.04 0.97 0.08 2j6lD1 VAL 417 HG23 -0.97 0.01 -0.10 -0.04 0.95 -0.15 2j6lD1 PHE 418 H -0.13 0.53 -0.11 -0.55 8.34 8.07 2j6lD1 PHE 418 HA 0.08 0.01 0.53 -0.75 4.62 4.48 2j6lD1 PHE 418 HB2 -0.03 0.05 0.11 -0.04 3.15 3.24 2j6lD1 PHE 418 HB3 0.07 0.18 -0.08 -0.04 3.06 3.19 2j6lD1 PHE 418 HD2 0.06 0.11 -0.10 -0.04 7.28 7.31 2j6lD1 PHE 418 HE2 0.08 -0.06 -0.19 -0.04 7.38 7.17 2j6lD1 PHE 418 HZ 0.00 -0.02 -0.04 -0.04 7.32 7.22 2j6lD1 ALA 419 H -0.11 0.43 -0.16 -0.55 8.40 8.02 2j6lD1 ALA 419 HA 0.04 0.10 0.42 -0.75 4.34 4.15 2j6lD1 ALA 419 HB3 -0.08 0.02 0.09 -0.04 1.41 1.41 2j6lD1 TRP 420 H -0.29 0.43 -0.11 -0.55 7.97 7.45 2j6lD1 TRP 420 HA -0.12 0.05 0.44 -0.75 4.62 4.24 2j6lD1 TRP 420 HB2 -0.70 0.00 0.06 -0.04 3.23 2.55 2j6lD1 TRP 420 HB3 -0.27 -0.00 -0.01 -0.04 3.23 2.91 2j6lD1 TRP 420 HD1 -0.26 0.03 -0.16 -0.04 7.22 6.79 2j6lD1 TRP 420 HE1 -0.25 -0.02 -0.03 -0.04 10.20 9.87 2j6lD1 TRP 420 HE3 -0.07 0.03 -0.07 -0.04 7.59 7.44 2j6lD1 TRP 420 HZ2 -0.02 0.00 0.00 -0.04 7.44 7.38 2j6lD1 TRP 420 HZ3 0.24 0.22 0.14 -0.04 7.13 7.69 2j6lD1 TRP 420 HH2 0.09 -0.05 0.04 -0.04 7.19 7.23 2j6lD1 ASN 421 H -0.11 0.55 -0.12 -0.55 8.53 8.30 2j6lD1 ASN 421 HA 0.09 -0.01 0.57 -0.75 4.76 4.66 2j6lD1 ASN 421 HB2 0.10 -0.08 0.11 -0.04 2.88 2.97 2j6lD1 ASN 421 HB3 0.13 0.22 0.15 -0.04 2.79 3.24 2j6lD1 ASN 421 HD21 -0.03 -0.07 -0.11 -0.04 7.03 6.78 2j6lD1 ASN 421 HD22 -0.03 0.09 -0.17 -0.04 7.74 7.59 2j6lD1 ASN 422 H 0.05 0.38 -0.33 -0.55 8.53 8.08 2j6lD1 ASN 422 HA -0.01 0.05 0.43 -0.75 4.76 4.48 2j6lD1 ASN 422 HB2 0.03 0.05 0.13 -0.04 2.88 3.05 2j6lD1 ASN 422 HB3 -0.00 -0.03 0.09 -0.04 2.79 2.81 2j6lD1 ASN 422 HD21 -0.08 0.55 -0.02 -0.04 7.03 7.44 2j6lD1 ASN 422 HD22 -0.00 -0.09 -0.08 -0.04 7.74 7.53 2j6lD1 GLU 423 H 0.07 0.21 -0.34 -0.55 8.60 7.99 2j6lD1 GLU 423 HA 0.06 0.02 0.21 -0.75 4.29 3.83 2j6lD1 GLU 423 HB2 0.19 -0.11 0.05 -0.04 2.09 2.18 2j6lD1 GLU 423 HB3 0.19 0.04 0.04 -0.04 1.99 2.21 2j6lD1 GLU 423 HG2 0.13 0.33 0.11 -0.04 2.34 2.87 2j6lD1 GLU 423 HG3 0.03 0.01 -0.27 -0.04 2.34 2.07 2j6lD1 VAL 424 H -0.08 0.16 -0.26 -0.55 8.24 7.51 2j6lD1 VAL 424 HA -0.29 0.05 0.57 -0.75 4.13 3.70 2j6lD1 VAL 424 HB -0.19 -0.15 0.21 -0.04 2.12 1.95 2j6lD1 VAL 424 HG13 -0.65 0.02 0.05 -0.04 0.97 0.35 2j6lD1 VAL 424 HG23 -0.04 0.09 0.00 -0.04 0.95 0.96 2j6lD1 LYS 425 H -0.13 0.12 0.20 -0.55 8.42 8.05 2j6lD1 LYS 425 HA -0.20 0.23 0.68 -0.75 4.32 4.27 2j6lD1 LYS 425 HB2 -0.34 -0.02 0.12 -0.04 1.87 1.59 2j6lD1 LYS 425 HB3 -1.37 -0.08 0.12 -0.04 1.79 0.41 2j6lD1 LYS 425 HG2 -0.14 0.03 0.07 -0.04 1.46 1.39 2j6lD1 LYS 425 HG3 -0.31 -0.04 0.05 -0.04 1.46 1.12 2j6lD1 LYS 425 HD2 -0.35 -0.05 0.04 -0.04 1.69 1.29 2j6lD1 LYS 425 HD3 -0.15 0.15 -0.05 -0.04 1.68 1.59 2j6lD1 LYS 425 HE2 -0.02 0.03 0.00 -0.04 2.99 2.96 2j6lD1 LYS 425 HE3 -0.01 -0.05 0.01 -0.04 2.99 2.89 2j6lD1 GLN 426 H -0.06 0.06 -0.07 -0.55 8.47 7.85 2j6lD1 GLN 426 HA 0.04 -0.01 0.44 -0.75 4.36 4.09 2j6lD1 GLN 426 HB2 0.03 0.07 -0.04 -0.04 2.15 2.18 2j6lD1 GLN 426 HB3 0.06 -0.02 0.03 -0.04 2.02 2.04 2j6lD1 GLN 426 HG2 0.08 -0.02 -0.45 -0.04 2.40 1.97 2j6lD1 GLN 426 HG3 0.06 -0.04 -0.20 -0.04 2.39 2.17 2j6lD1 GLN 426 HE21 0.05 0.43 0.09 -0.04 6.97 7.50 2j6lD1 GLN 426 HE22 0.08 -0.16 -0.03 -0.04 7.69 7.54 2j6lD1 GLY 427 H 0.02 0.12 0.11 -0.55 8.43 8.13 2j6lD1 GLY 427 HA2 -0.02 0.22 0.52 -0.51 4.01 4.22 2j6lD1 GLY 427 HA3 -0.03 0.10 0.24 -0.51 4.01 3.81 2j6lD1 LEU 428 H 0.01 0.08 0.04 -0.55 8.37 7.95 2j6lD1 LEU 428 HA -0.09 0.09 0.55 -0.75 4.35 4.15 2j6lD1 LEU 428 HB2 0.01 0.09 0.01 -0.04 1.64 1.70 2j6lD1 LEU 428 HB3 0.04 -0.09 0.18 -0.04 1.64 1.73 2j6lD1 LEU 428 HG -0.02 0.05 -0.22 -0.04 1.64 1.40 2j6lD1 LEU 428 HD13 -0.32 0.02 -0.24 -0.04 0.93 0.35 2j6lD1 LEU 428 HD23 0.13 0.07 -0.27 -0.04 0.89 0.77 2j6lD1 SER 429 H 0.04 0.07 0.16 -0.55 8.46 8.18 2j6lD1 SER 429 HA -0.01 0.37 1.09 -0.75 4.49 5.19 2j6lD1 SER 429 HB2 0.05 -0.05 -0.11 -0.04 3.95 3.79 2j6lD1 SER 429 HB3 0.10 -0.06 -0.02 -0.04 3.93 3.91 2j6lD1 SER 430 H 0.11 0.40 0.24 -0.55 8.46 8.66 2j6lD1 SER 430 HA 0.24 0.20 0.85 -0.75 4.49 5.03 2j6lD1 SER 430 HB2 0.48 -0.04 0.05 -0.04 3.95 4.41 2j6lD1 SER 430 HB3 0.09 0.04 -0.27 -0.04 3.93 3.75 2j6lD1 SER 431 H 0.32 0.58 0.37 -0.55 8.46 9.19 2j6lD1 SER 431 HA 0.29 0.29 0.84 -0.75 4.49 5.16 2j6lD1 SER 431 HB2 0.29 0.00 0.04 -0.04 3.95 4.24 2j6lD1 SER 431 HB3 0.08 0.00 -0.10 -0.04 3.93 3.87 2j6lD1 ILE 432 H -0.24 0.60 0.33 -0.55 8.25 8.39 2j6lD1 ILE 432 HA -0.08 0.24 0.97 -0.75 4.18 4.55 2j6lD1 ILE 432 HB -0.12 -0.08 0.04 -0.04 1.89 1.68 2j6lD1 ILE 432 HG12 -1.14 0.18 0.10 -0.04 1.49 0.59 2j6lD1 ILE 432 HG13 -0.37 -0.12 -0.10 -0.04 1.21 0.57 2j6lD1 ILE 432 HG23 -1.64 0.01 -0.06 -0.04 0.93 -0.80 2j6lD1 ILE 432 HD13 -0.45 -0.02 -0.14 -0.04 0.88 0.23 2j6lD1 PHE 433 H 0.34 0.73 0.37 -0.55 8.34 9.22 2j6lD1 PHE 433 HA 0.02 0.11 0.90 -0.75 4.62 4.90 2j6lD1 PHE 433 HB2 0.09 -0.02 0.19 -0.04 3.15 3.37 2j6lD1 PHE 433 HB3 0.06 -0.06 0.05 -0.04 3.06 3.07 2j6lD1 PHE 433 HD2 0.05 0.00 -0.23 -0.04 7.28 7.06 2j6lD1 PHE 433 HE2 0.07 0.09 -0.35 -0.04 7.38 7.15 2j6lD1 PHE 433 HZ 0.08 -0.00 -0.47 -0.04 7.32 6.88 2j6lD1 THR 434 H 0.01 0.48 0.16 -0.55 8.28 8.38 2j6lD1 THR 434 HA 0.10 0.02 0.40 -0.75 4.39 4.16 2j6lD1 THR 434 HB -0.04 0.11 -0.25 -0.04 4.32 4.10 2j6lD1 THR 434 HG23 -0.17 0.04 -0.30 -0.04 1.22 0.75 2j6lD1 LYS 435 H 0.00 0.08 0.05 -0.55 8.42 7.99 2j6lD1 LYS 435 HA -0.00 0.28 0.83 -0.75 4.32 4.67 2j6lD1 LYS 435 HB2 0.01 -0.03 0.03 -0.04 1.87 1.83 2j6lD1 LYS 435 HB3 0.01 0.05 0.12 -0.04 1.79 1.93 2j6lD1 LYS 435 HG2 0.03 0.05 -0.06 -0.04 1.46 1.43 2j6lD1 LYS 435 HG3 0.04 0.00 -0.14 -0.04 1.46 1.32 2j6lD1 LYS 435 HD2 0.02 0.04 0.03 -0.04 1.69 1.73 2j6lD1 LYS 435 HD3 0.02 -0.00 0.02 -0.04 1.68 1.67 2j6lD1 LYS 435 HE2 0.03 0.01 -0.01 -0.04 2.99 2.98 2j6lD1 LYS 435 HE3 0.03 -0.03 -0.01 -0.04 2.99 2.94 2j6lD1 ASP 436 H -0.06 -0.03 -0.04 -0.55 8.40 7.72 2j6lD1 ASP 436 HA -0.02 0.13 0.44 -0.75 4.63 4.43 2j6lD1 ASP 436 HB2 -0.07 0.02 0.10 -0.04 2.71 2.72 2j6lD1 ASP 436 HB3 -0.13 -0.03 0.13 -0.04 2.70 2.63 2j6lD1 LEU 437 H 0.02 0.21 0.23 -0.55 8.37 8.29 2j6lD1 LEU 437 HA 0.09 0.15 0.26 -0.75 4.35 4.10 2j6lD1 LEU 437 HB2 0.06 0.10 0.15 -0.04 1.64 1.91 2j6lD1 LEU 437 HB3 0.05 -0.07 0.18 -0.04 1.64 1.76 2j6lD1 LEU 437 HG 0.15 -0.01 -0.20 -0.04 1.64 1.53 2j6lD1 LEU 437 HD13 0.24 0.02 0.01 -0.04 0.93 1.16 2j6lD1 LEU 437 HD23 0.02 0.01 0.00 -0.04 0.89 0.88 2j6lD1 GLY 438 H 0.04 0.08 -0.03 -0.55 8.43 7.97 2j6lD1 GLY 438 HA2 0.11 0.15 0.37 -0.51 4.01 4.13 2j6lD1 GLY 438 HA3 0.04 0.07 0.27 -0.51 4.01 3.88 2j6lD1 ARG 439 H -0.01 0.01 -0.30 -0.55 8.46 7.60 2j6lD1 ARG 439 HA 0.02 0.06 0.34 -0.75 4.34 4.02 2j6lD1 ARG 439 HB2 -0.18 -0.07 0.06 -0.04 1.90 1.67 2j6lD1 ARG 439 HB3 -0.16 0.10 0.03 -0.04 1.80 1.73 2j6lD1 ARG 439 HG2 -0.27 0.09 -0.23 -0.04 1.67 1.22 2j6lD1 ARG 439 HG3 -0.30 0.01 -0.01 -0.04 1.67 1.33 2j6lD1 ARG 439 HD2 -0.69 -0.09 -0.04 -0.04 3.22 2.37 2j6lD1 ARG 439 HD3 -2.26 0.03 -0.06 -0.04 3.22 0.88 2j6lD1 ILE 440 H 0.01 0.46 -0.27 -0.55 8.25 7.90 2j6lD1 ILE 440 HA 0.02 0.02 0.43 -0.75 4.18 3.89 2j6lD1 ILE 440 HB -0.02 0.14 0.11 -0.04 1.89 2.08 2j6lD1 ILE 440 HG12 -0.10 -0.02 -0.09 -0.04 1.49 1.24 2j6lD1 ILE 440 HG13 -0.08 -0.04 -0.13 -0.04 1.21 0.93 2j6lD1 ILE 440 HG23 -0.30 0.01 -0.15 -0.04 0.93 0.45 2j6lD1 ILE 440 HD13 -0.05 0.01 -0.25 -0.04 0.88 0.55 2j6lD1 PHE 441 H 0.24 0.41 -0.09 -0.55 8.34 8.35 2j6lD1 PHE 441 HA 0.05 0.10 0.42 -0.75 4.62 4.43 2j6lD1 PHE 441 HB2 0.02 0.01 0.11 -0.04 3.15 3.24 2j6lD1 PHE 441 HB3 0.02 0.01 -0.02 -0.04 3.06 3.03 2j6lD1 PHE 441 HD2 0.01 0.09 0.01 -0.04 7.28 7.34 2j6lD1 PHE 441 HE2 0.00 -0.00 -0.02 -0.04 7.38 7.31 2j6lD1 PHE 441 HZ 0.00 0.01 -0.03 -0.04 7.32 7.26 2j6lD1 ARG 442 H 0.19 0.56 -0.13 -0.55 8.46 8.53 2j6lD1 ARG 442 HA 0.15 0.05 0.58 -0.75 4.34 4.37 2j6lD1 ARG 442 HB2 0.23 -0.01 0.07 -0.04 1.90 2.15 2j6lD1 ARG 442 HB3 0.24 -0.01 -0.09 -0.04 1.80 1.89 2j6lD1 ARG 442 HG2 0.10 0.00 -0.02 -0.04 1.67 1.71 2j6lD1 ARG 442 HG3 0.11 0.19 -0.00 -0.04 1.67 1.93 2j6lD1 ARG 442 HD2 0.05 0.02 -0.07 -0.04 3.22 3.18 2j6lD1 ARG 442 HD3 0.03 -0.02 -0.07 -0.04 3.22 3.13 2j6lD1 TRP 443 H 0.35 0.59 -0.13 -0.55 7.97 8.23 2j6lD1 TRP 443 HA -0.42 -0.06 0.49 -0.75 4.62 3.87 2j6lD1 TRP 443 HB2 -0.09 -0.08 0.10 -0.04 3.23 3.12 2j6lD1 TRP 443 HB3 -0.12 0.25 0.16 -0.04 3.23 3.47 2j6lD1 TRP 443 HD1 -0.15 0.05 -0.18 -0.04 7.22 6.89 2j6lD1 TRP 443 HE1 -0.11 0.23 -0.11 -0.04 10.20 10.17 2j6lD1 TRP 443 HE3 -1.93 0.01 0.01 -0.04 7.59 5.63 2j6lD1 TRP 443 HZ2 -0.07 -0.05 -0.35 -0.04 7.44 6.92 2j6lD1 TRP 443 HZ3 -0.54 0.04 -0.05 -0.04 7.13 6.53 2j6lD1 TRP 443 HH2 -0.12 0.03 -0.07 -0.04 7.19 7.00 2j6lD1 LEU 444 H 0.05 0.28 -0.35 -0.55 8.37 7.79 2j6lD1 LEU 444 HA -0.28 0.11 0.55 -0.75 4.35 3.97 2j6lD1 LEU 444 HB2 -0.05 0.03 0.07 -0.04 1.64 1.66 2j6lD1 LEU 444 HB3 -0.09 -0.02 0.09 -0.04 1.64 1.58 2j6lD1 LEU 444 HG -0.05 0.13 -0.01 -0.04 1.64 1.66 2j6lD1 LEU 444 HD13 -0.34 -0.05 -0.07 -0.04 0.93 0.43 2j6lD1 LEU 444 HD23 -0.14 -0.01 -0.06 -0.04 0.89 0.64 2j6lD1 GLY 445 H -0.01 0.24 -0.51 -0.55 8.43 7.61 2j6lD1 GLY 445 HA2 -0.01 0.14 0.59 -0.51 4.01 4.22 2j6lD1 GLY 445 HA3 0.03 -0.05 0.34 -0.51 4.01 3.82 2j6lD1 PRO 446 HA -0.05 0.21 0.24 -0.51 4.44 4.34 2j6lD1 PRO 446 HB2 -0.01 0.02 0.01 -0.04 2.28 2.26 2j6lD1 PRO 446 HB3 -0.02 0.05 0.08 -0.04 2.02 2.09 2j6lD1 PRO 446 HG2 0.01 -0.02 0.04 -0.04 2.03 2.02 2j6lD1 PRO 446 HG3 0.00 0.03 0.06 -0.04 2.03 2.08 2j6lD1 PRO 446 HD2 0.02 0.04 0.18 -0.04 3.68 3.88 2j6lD1 PRO 446 HD3 0.00 0.15 0.18 -0.04 3.65 3.95 2j6lD1 LYS 447 H 0.03 0.05 -0.27 -0.55 8.42 7.68 2j6lD1 LYS 447 HA 0.03 0.24 0.79 -0.75 4.32 4.62 2j6lD1 LYS 447 HB2 0.09 -0.05 0.00 -0.04 1.87 1.87 2j6lD1 LYS 447 HB3 0.07 -0.04 0.12 -0.04 1.79 1.90 2j6lD1 LYS 447 HG2 0.03 -0.05 -0.09 -0.04 1.46 1.31 2j6lD1 LYS 447 HG3 0.03 -0.06 -0.03 -0.04 1.46 1.36 2j6lD1 LYS 447 HD2 0.02 -0.02 -0.03 -0.04 1.69 1.62 2j6lD1 LYS 447 HD3 0.01 0.21 -0.35 -0.04 1.68 1.52 2j6lD1 LYS 447 HE2 0.01 0.04 -0.07 -0.04 2.99 2.93 2j6lD1 LYS 447 HE3 0.01 -0.02 -0.10 -0.04 2.99 2.84 2j6lD1 GLY 448 H -0.05 0.43 -0.47 -0.55 8.43 7.79 2j6lD1 GLY 448 HA2 -0.05 -0.07 0.57 -0.51 4.01 3.96 2j6lD1 GLY 448 HA3 -0.22 0.18 0.38 -0.51 4.01 3.85 2j6lD1 SER 449 H -1.11 0.40 0.23 -0.55 8.46 7.42 2j6lD1 SER 449 HA -0.59 -0.01 0.41 -0.75 4.49 3.55 2j6lD1 SER 449 HB2 -3.00 -0.10 0.07 -0.04 3.95 0.88 2j6lD1 SER 449 HB3 -1.30 0.13 0.06 -0.04 3.93 2.78 2j6lD1 ASP 450 H -0.22 0.09 0.09 -0.55 8.40 7.81 2j6lD1 ASP 450 HA -0.17 0.23 0.64 -0.75 4.63 4.58 2j6lD1 ASP 450 HB2 -0.08 -0.04 0.13 -0.04 2.71 2.68 2j6lD1 ASP 450 HB3 -0.09 0.05 0.04 -0.04 2.70 2.65 2j6lD1 CYS 451 H -0.27 -0.04 -0.43 -0.55 8.50 7.22 2j6lD1 CYS 451 HA -0.11 0.13 0.41 -0.75 4.58 4.26 2j6lD1 CYS 451 HB2 -0.17 0.05 -0.22 -0.04 2.97 2.59 2j6lD1 CYS 451 HB3 -0.09 0.14 -0.47 -0.04 2.97 2.51 2j6lD1 GLY 452 H -0.12 0.38 0.38 -0.55 8.43 8.52 2j6lD1 GLY 452 HA2 -0.14 0.05 0.60 -0.51 4.01 4.02 2j6lD1 GLY 452 HA3 -0.16 0.19 0.54 -0.51 4.01 4.07 2j6lD1 ILE 453 H -0.13 0.42 0.11 -0.55 8.25 8.11 2j6lD1 ILE 453 HA -0.10 0.13 0.81 -0.75 4.18 4.27 2j6lD1 ILE 453 HB -0.06 -0.12 0.22 -0.04 1.89 1.89 2j6lD1 ILE 453 HG12 -0.14 0.04 0.02 -0.04 1.49 1.37 2j6lD1 ILE 453 HG13 -0.27 0.12 -0.24 -0.04 1.21 0.78 2j6lD1 ILE 453 HG23 0.02 -0.00 -0.07 -0.04 0.93 0.84 2j6lD1 ILE 453 HD13 -0.32 -0.05 -0.13 -0.04 0.88 0.33 2j6lD1 VAL 454 H -0.09 0.23 -0.02 -0.55 8.24 7.81 2j6lD1 VAL 454 HA -0.12 0.10 0.82 -0.75 4.13 4.18 2j6lD1 VAL 454 HB -0.25 0.01 0.07 -0.04 2.12 1.91 2j6lD1 VAL 454 HG13 -0.88 -0.01 -0.17 -0.04 0.97 -0.13 2j6lD1 VAL 454 HG23 -0.39 0.02 -0.36 -0.04 0.95 0.18 2j6lD1 ASN 455 H 0.25 0.57 0.28 -0.55 8.53 9.08 2j6lD1 ASN 455 HA 0.06 0.18 0.79 -0.75 4.76 5.03 2j6lD1 ASN 455 HB2 0.12 0.08 0.12 -0.04 2.88 3.15 2j6lD1 ASN 455 HB3 0.03 -0.04 0.03 -0.04 2.79 2.77 2j6lD1 ASN 455 HD21 0.08 0.45 0.03 -0.04 7.03 7.55 2j6lD1 ASN 455 HD22 0.10 0.23 -0.08 -0.04 7.74 7.95 2j6lD1 VAL 456 H -0.03 0.26 0.18 -0.55 8.24 8.10 2j6lD1 VAL 456 HA -0.18 0.20 1.03 -0.75 4.13 4.42 2j6lD1 VAL 456 HB -0.07 0.02 0.13 -0.04 2.12 2.16 2j6lD1 VAL 456 HG13 -0.12 -0.03 -0.09 -0.04 0.97 0.69 2j6lD1 VAL 456 HG23 0.06 0.01 -0.18 -0.04 0.95 0.79 2j6lD1 ASN 457 H -0.69 0.69 0.34 -0.55 8.53 8.33 2j6lD1 ASN 457 HA -1.20 -0.09 0.34 -0.75 4.76 3.06 2j6lD1 ASN 457 HB2 -0.14 0.22 -0.14 -0.04 2.88 2.78 2j6lD1 ASN 457 HB3 -0.07 -0.03 0.23 -0.04 2.79 2.88 2j6lD1 ASN 457 HD21 -0.04 0.33 0.13 -0.04 7.03 7.41 2j6lD1 ASN 457 HD22 -0.05 0.04 -0.03 -0.04 7.74 7.66 2j6lD1 ILE 458 H -0.37 0.23 -0.45 -0.55 8.25 7.10 2j6lD1 ILE 458 HA 0.10 0.12 0.47 -0.75 4.18 4.12 2j6lD1 ILE 458 HB 0.07 0.00 0.04 -0.04 1.89 1.95 2j6lD1 ILE 458 HG12 -0.04 0.00 -0.09 -0.04 1.49 1.32 2j6lD1 ILE 458 HG13 0.02 0.00 -0.16 -0.04 1.21 1.03 2j6lD1 ILE 458 HG23 0.00 0.01 -0.11 -0.04 0.93 0.79 2j6lD1 ILE 458 HD13 0.03 -0.00 -0.08 -0.04 0.88 0.78 2j6lD1 PRO 459 HA 0.35 0.14 0.29 -0.51 4.44 4.71 2j6lD1 PRO 459 HB2 0.25 -0.10 0.10 -0.04 2.28 2.50 2j6lD1 PRO 459 HB3 0.32 0.04 -0.07 -0.04 2.02 2.27 2j6lD1 PRO 459 HG2 0.33 -0.02 -0.09 -0.04 2.03 2.22 2j6lD1 PRO 459 HG3 0.34 0.13 0.05 -0.04 2.03 2.51 2j6lD1 PRO 459 HD2 0.18 0.13 0.09 -0.04 3.68 4.03 2j6lD1 PRO 459 HD3 0.30 0.13 0.06 -0.04 3.65 4.10 2j6lD1 THR 460 H 0.20 0.15 0.04 -0.55 8.28 8.12 2j6lD1 THR 460 HA 0.16 0.12 0.03 -0.75 4.39 3.95 2j6lD1 THR 460 HB 0.14 0.05 -0.14 -0.04 4.32 4.33 2j6lD1 THR 460 HG23 0.19 -0.06 -0.34 -0.04 1.22 0.98 2j6lD1 SER 461 H 0.18 -0.02 -0.35 -0.55 8.46 7.73 2j6lD1 SER 461 HA 0.16 0.13 0.52 -0.75 4.49 4.56 2j6lD1 SER 461 HB2 0.27 -0.02 -0.14 -0.04 3.95 4.03 2j6lD1 SER 461 HB3 0.18 -0.02 -0.00 -0.04 3.93 4.05 2j6lD1 GLY 462 H 0.15 0.41 -0.56 -0.55 8.43 7.89 2j6lD1 GLY 462 HA2 0.11 -0.02 0.40 -0.51 4.01 3.99 2j6lD1 GLY 462 HA3 0.09 0.03 0.18 -0.51 4.01 3.80 2j6lD1 ALA 463 H 0.07 0.31 0.24 -0.55 8.40 8.48 2j6lD1 ALA 463 HA 0.03 0.08 0.39 -0.75 4.34 4.09 2j6lD1 ALA 463 HB3 0.10 0.04 -0.13 -0.04 1.41 1.37 2j6lD1 GLU 464 H -0.05 0.32 0.14 -0.55 8.60 8.46 2j6lD1 GLU 464 HA -0.05 0.16 0.68 -0.75 4.29 4.33 2j6lD1 GLU 464 HB2 -0.05 -0.08 0.10 -0.04 2.09 2.02 2j6lD1 GLU 464 HB3 -0.02 0.12 -0.09 -0.04 1.99 1.96 2j6lD1 GLU 464 HG2 -0.03 -0.00 -0.11 -0.04 2.34 2.15 2j6lD1 GLU 464 HG3 -0.06 -0.11 -0.13 -0.04 2.34 1.99 2j6lD1 ILE 465 H -0.10 0.16 0.12 -0.55 8.25 7.88 2j6lD1 ILE 465 HA -0.31 0.10 0.31 -0.75 4.18 3.52 2j6lD1 ILE 465 HB -0.16 -0.05 0.09 -0.04 1.89 1.72 2j6lD1 ILE 465 HG12 -0.01 -0.02 0.04 -0.04 1.49 1.45 2j6lD1 ILE 465 HG13 -0.01 0.03 -0.14 -0.04 1.21 1.05 2j6lD1 ILE 465 HG23 -0.50 0.03 -0.22 -0.04 0.93 0.20 2j6lD1 ILE 465 HD13 -0.03 -0.01 -0.02 -0.04 0.88 0.78 2j6lD1 GLY 466 H -0.18 0.01 -0.21 -0.55 8.43 7.51 2j6lD1 GLY 466 HA2 -0.42 0.09 0.29 -0.51 4.01 3.46 2j6lD1 GLY 466 HA3 -0.12 0.00 0.28 -0.51 4.01 3.66 2j6lD1 GLY 467 H -0.14 0.26 -0.32 -0.55 8.43 7.68 2j6lD1 GLY 467 HA2 -0.06 0.09 0.79 -0.51 4.01 4.32 2j6lD1 GLY 467 HA3 -0.07 0.05 0.26 -0.51 4.01 3.74 2j6lD1 ALA 468 H -0.06 0.09 0.03 -0.55 8.40 7.91 2j6lD1 ALA 468 HA -0.08 0.26 0.57 -0.75 4.34 4.34 2j6lD1 ALA 468 HB3 -0.06 0.00 -0.03 -0.04 1.41 1.27 2j6lD1 PHE 469 H -0.05 0.51 0.32 -0.55 8.34 8.57 2j6lD1 PHE 469 HA -0.18 0.21 0.86 -0.75 4.62 4.76 2j6lD1 PHE 469 HB2 -0.48 0.05 -0.11 -0.04 3.15 2.57 2j6lD1 PHE 469 HB3 -0.53 -0.08 0.05 -0.04 3.06 2.46 2j6lD1 PHE 469 HD2 -0.18 -0.00 -0.19 -0.04 7.28 6.87 2j6lD1 PHE 469 HE2 0.01 -0.01 -0.16 -0.04 7.38 7.18 2j6lD1 PHE 469 HZ 0.01 -0.10 -0.16 -0.04 7.32 7.04 2j6lD1 GLY 470 H -0.66 0.38 0.17 -0.55 8.43 7.78 2j6lD1 GLY 470 HA2 -0.46 -0.09 0.20 -0.51 4.01 3.15 2j6lD1 GLY 470 HA3 -0.19 0.45 0.71 -0.51 4.01 4.47 2j6lD1 GLY 471 H -0.12 0.21 0.13 -0.55 8.43 8.11 2j6lD1 GLY 471 HA2 -0.14 0.17 1.00 -0.51 4.01 4.53 2j6lD1 GLY 471 HA3 -0.09 -0.11 0.23 -0.51 4.01 3.53 2j6lD1 GLU 472 H -0.05 0.48 0.27 -0.55 8.60 8.75 2j6lD1 GLU 472 HA -0.03 0.18 0.75 -0.75 4.29 4.43 2j6lD1 GLU 472 HB2 -0.06 0.15 0.13 -0.04 2.09 2.27 2j6lD1 GLU 472 HB3 -0.04 -0.08 0.14 -0.04 1.99 1.98 2j6lD1 GLU 472 HG2 -0.09 -0.07 -0.26 -0.04 2.34 1.88 2j6lD1 GLU 472 HG3 -0.08 0.14 -0.10 -0.04 2.34 2.27 2j6lD1 LYS 473 H 0.00 0.18 0.13 -0.55 8.42 8.19 2j6lD1 LYS 473 HA 0.07 0.07 0.35 -0.75 4.32 4.05 2j6lD1 LYS 473 HB2 0.03 0.05 -0.15 -0.04 1.87 1.75 2j6lD1 LYS 473 HB3 0.07 0.10 0.24 -0.04 1.79 2.16 2j6lD1 LYS 473 HG2 0.01 -0.03 0.04 -0.04 1.46 1.44 2j6lD1 LYS 473 HG3 -0.01 -0.05 -0.16 -0.04 1.46 1.20 2j6lD1 LYS 473 HD2 -0.02 0.04 -0.00 -0.04 1.69 1.67 2j6lD1 LYS 473 HD3 -0.02 -0.01 -0.01 -0.04 1.68 1.60 2j6lD1 LYS 473 HE2 -0.03 -0.12 -0.17 -0.04 2.99 2.63 2j6lD1 LYS 473 HE3 -0.02 -0.05 -0.63 -0.04 2.99 2.25 2j6lD1 HIS 474 H 0.19 0.78 0.31 -0.55 8.41 9.14 2j6lD1 HIS 474 HA 0.01 0.10 0.43 -0.75 4.63 4.42 2j6lD1 HIS 474 HB2 0.02 0.05 -0.20 -0.04 3.26 3.10 2j6lD1 HIS 474 HB3 0.03 -0.14 0.08 -0.04 3.20 3.12 2j6lD1 HIS 474 HD2 0.01 -0.02 -0.04 -0.04 6.97 6.87 2j6lD1 HIS 474 HE1 0.02 -0.01 0.00 -0.04 7.75 7.71 2j6lD1 THR 475 H 0.07 0.47 -0.40 -0.55 8.28 7.87 2j6lD1 THR 475 HA 0.07 0.01 0.59 -0.75 4.39 4.30 2j6lD1 THR 475 HB -0.00 0.10 -0.21 -0.04 4.32 4.17 2j6lD1 THR 475 HG23 -0.00 0.03 -0.09 -0.04 1.22 1.12 2j6lD1 GLY 476 H 0.02 0.43 -0.46 -0.55 8.43 7.87 2j6lD1 GLY 476 HA2 0.00 0.03 0.11 -0.51 4.01 3.64 2j6lD1 GLY 476 HA3 0.03 0.08 0.07 -0.51 4.01 3.68 2j6lD1 GLY 477 H -0.01 0.21 -0.19 -0.55 8.43 7.89 2j6lD1 GLY 477 HA2 -0.03 0.10 0.44 -0.51 4.01 4.00 2j6lD1 GLY 477 HA3 -0.02 0.05 0.48 -0.51 4.01 4.02 2j6lD1 GLY 478 H -0.00 0.34 -0.15 -0.55 8.43 8.07 2j6lD1 GLY 478 HA2 -0.03 0.08 0.47 -0.51 4.01 4.02 2j6lD1 GLY 478 HA3 0.00 -0.09 0.23 -0.51 4.01 3.65 2j6lD1 ARG 479 H -0.02 0.22 0.18 -0.55 8.46 8.29 2j6lD1 ARG 479 HA -0.03 0.37 0.67 -0.75 4.34 4.59 2j6lD1 ARG 479 HB2 -0.04 -0.02 -0.01 -0.04 1.90 1.79 2j6lD1 ARG 479 HB3 -0.05 -0.09 -0.08 -0.04 1.80 1.55 2j6lD1 ARG 479 HG2 -0.07 0.12 -0.45 -0.04 1.67 1.23 2j6lD1 ARG 479 HG3 -0.07 -0.06 -0.17 -0.04 1.67 1.33 2j6lD1 ARG 479 HD2 -0.11 -0.14 -0.55 -0.04 3.22 2.38 2j6lD1 ARG 479 HD3 -0.12 0.13 -0.40 -0.04 3.22 2.78 2j6lD1 GLU 480 H 0.02 0.54 0.30 -0.55 8.60 8.91 2j6lD1 GLU 480 HA 0.15 0.22 0.75 -0.75 4.29 4.67 2j6lD1 GLU 480 HB2 0.02 -0.01 -0.00 -0.04 2.09 2.06 2j6lD1 GLU 480 HB3 0.14 -0.06 -0.00 -0.04 1.99 2.02 2j6lD1 GLU 480 HG2 0.28 0.04 -0.11 -0.04 2.34 2.51 2j6lD1 GLU 480 HG3 0.17 0.01 -0.55 -0.04 2.34 1.93 2j6lD1 SER 481 H 0.02 0.18 0.03 -0.55 8.46 8.16 2j6lD1 SER 481 HA -0.12 0.00 0.37 -0.75 4.49 3.99 2j6lD1 SER 481 HB2 -0.98 -0.16 -0.17 -0.04 3.95 2.60 2j6lD1 SER 481 HB3 -0.44 0.22 0.21 -0.04 3.93 3.87 2j6lD1 GLY 482 H -0.17 0.47 0.07 -0.55 8.43 8.24 2j6lD1 GLY 482 HA2 0.09 0.09 0.14 -0.51 4.01 3.81 2j6lD1 GLY 482 HA3 -0.14 0.04 -0.09 -0.51 4.01 3.31 2j6lD1 SER 483 H 0.09 0.41 0.14 -0.55 8.46 8.55 2j6lD1 SER 483 HA 0.08 0.06 0.34 -0.75 4.49 4.21 2j6lD1 SER 483 HB2 -0.01 -0.02 0.12 -0.04 3.95 3.99 2j6lD1 SER 483 HB3 -0.03 0.09 0.15 -0.04 3.93 4.10 2j6lD1 ASP 484 H -0.07 0.13 0.13 -0.55 8.40 8.04 2j6lD1 ASP 484 HA -0.26 0.20 0.69 -0.75 4.63 4.50 2j6lD1 ASP 484 HB2 -0.72 0.03 0.14 -0.04 2.71 2.12 2j6lD1 ASP 484 HB3 -0.15 0.01 0.02 -0.04 2.70 2.55 2j6lD1 ALA 485 H -0.02 0.58 -0.50 -0.55 8.40 7.91 2j6lD1 ALA 485 HA -0.08 0.02 0.25 -0.75 4.34 3.78 2j6lD1 ALA 485 HB3 0.06 0.07 -0.38 -0.04 1.41 1.12 2j6lD1 TRP 486 H 0.14 0.17 -0.44 -0.55 7.97 7.30 2j6lD1 TRP 486 HA 0.16 0.05 0.26 -0.75 4.62 4.33 2j6lD1 TRP 486 HB2 -0.05 0.06 -0.05 -0.04 3.23 3.16 2j6lD1 TRP 486 HB3 -0.04 0.03 0.01 -0.04 3.23 3.18 2j6lD1 TRP 486 HD1 -0.06 0.15 0.02 -0.04 7.22 7.29 2j6lD1 TRP 486 HE1 -0.15 -0.01 -0.04 -0.04 10.20 9.96 2j6lD1 TRP 486 HE3 -0.17 0.02 -0.48 -0.04 7.59 6.92 2j6lD1 TRP 486 HZ2 -0.34 0.08 0.04 -0.04 7.44 7.18 2j6lD1 TRP 486 HZ3 -0.69 0.02 -0.17 -0.04 7.13 6.25 2j6lD1 TRP 486 HH2 -1.26 0.13 -0.04 -0.04 7.19 5.98 2j6lD1 LYS 487 H -0.96 0.45 -0.47 -0.55 8.42 6.89 2j6lD1 LYS 487 HA -0.79 0.04 0.20 -0.75 4.32 3.01 2j6lD1 LYS 487 HB2 -0.67 0.09 0.05 -0.04 1.87 1.30 2j6lD1 LYS 487 HB3 -0.63 -0.01 0.01 -0.04 1.79 1.12 2j6lD1 LYS 487 HG2 -3.04 0.00 -0.03 -0.04 1.46 -1.65 2j6lD1 LYS 487 HG3 -2.81 -0.05 0.01 -0.04 1.46 -1.43 2j6lD1 LYS 487 HD2 -0.67 0.01 0.03 -0.04 1.69 1.02 2j6lD1 LYS 487 HD3 -0.55 -0.02 -0.01 -0.04 1.68 1.06 2j6lD1 LYS 487 HE2 -0.64 0.04 -0.01 -0.04 2.99 2.34 2j6lD1 LYS 487 HE3 -0.91 -0.01 0.02 -0.04 2.99 2.04 2j6lD1 GLN 488 H -0.06 0.46 -0.35 -0.55 8.47 7.97 2j6lD1 GLN 488 HA -0.03 0.07 0.41 -0.75 4.36 4.06 2j6lD1 GLN 488 HB2 -0.22 0.13 0.08 -0.04 2.15 2.10 2j6lD1 GLN 488 HB3 -0.25 -0.06 0.06 -0.04 2.02 1.73 2j6lD1 GLN 488 HG2 -0.08 -0.01 0.05 -0.04 2.40 2.32 2j6lD1 GLN 488 HG3 -0.10 -0.04 0.04 -0.04 2.39 2.25 2j6lD1 GLN 488 HE21 0.01 0.53 0.23 -0.04 6.97 7.70 2j6lD1 GLN 488 HE22 0.01 0.39 0.19 -0.04 7.69 8.24 2j6lD1 TYR 489 H 0.34 0.53 -0.44 -0.55 8.29 8.16 2j6lD1 TYR 489 HA 0.12 0.08 0.55 -0.75 4.56 4.56 2j6lD1 TYR 489 HB2 0.19 0.15 -0.01 -0.04 3.06 3.36 2j6lD1 TYR 489 HB3 0.16 -0.05 0.09 -0.04 2.98 3.13 2j6lD1 TYR 489 HD2 0.10 0.05 -0.05 -0.04 7.15 7.22 2j6lD1 TYR 489 HE2 0.06 -0.02 -0.10 -0.04 6.85 6.75 2j6lD1 MET 490 H 0.28 0.45 -0.36 -0.55 8.47 8.29 2j6lD1 MET 490 HA 0.33 0.14 0.81 -0.75 4.52 5.04 2j6lD1 MET 490 HB2 0.66 -0.08 -0.11 -0.04 2.15 2.58 2j6lD1 MET 490 HB3 0.66 -0.03 -0.08 -0.04 2.03 2.54 2j6lD1 MET 490 HG2 0.36 0.18 -0.28 -0.04 2.63 2.85 2j6lD1 MET 490 HG3 0.46 -0.04 -0.47 -0.04 2.56 2.47 2j6lD1 MET 490 HE3 0.24 0.02 -0.44 -0.04 2.10 1.88 2j6lD1 ARG 491 H 0.27 0.69 0.22 -0.55 8.46 9.09 2j6lD1 ARG 491 HA 0.09 0.12 0.90 -0.75 4.34 4.70 2j6lD1 ARG 491 HB2 -0.00 0.01 0.02 -0.04 1.90 1.88 2j6lD1 ARG 491 HB3 0.07 0.03 -0.04 -0.04 1.80 1.82 2j6lD1 ARG 491 HG2 0.12 0.22 -0.13 -0.04 1.67 1.84 2j6lD1 ARG 491 HG3 0.05 -0.14 -0.03 -0.04 1.67 1.52 2j6lD1 ARG 491 HD2 0.01 -0.05 -0.07 -0.04 3.22 3.07 2j6lD1 ARG 491 HD3 0.03 0.04 -0.03 -0.04 3.22 3.22 2j6lD1 ARG 492 H -0.29 0.14 0.16 -0.55 8.46 7.91 2j6lD1 ARG 492 HA -1.31 0.29 0.77 -0.75 4.34 3.34 2j6lD1 ARG 492 HB2 -1.45 0.02 0.07 -0.04 1.90 0.49 2j6lD1 ARG 492 HB3 -0.48 -0.05 0.09 -0.04 1.80 1.32 2j6lD1 ARG 492 HG2 -0.57 0.05 -0.19 -0.04 1.67 0.92 2j6lD1 ARG 492 HG3 -1.18 0.01 -0.04 -0.04 1.67 0.42 2j6lD1 ARG 492 HD2 -0.21 -0.05 -0.12 -0.04 3.22 2.81 2j6lD1 ARG 492 HD3 -0.14 -0.04 -0.08 -0.04 3.22 2.91 2j6lD1 SER 493 H -0.41 0.71 0.34 -0.55 8.46 8.55 2j6lD1 SER 493 HA -0.16 0.14 0.57 -0.75 4.49 4.28 2j6lD1 SER 493 HB2 -0.08 -0.02 -0.01 -0.04 3.95 3.81 2j6lD1 SER 493 HB3 -0.09 0.08 0.02 -0.04 3.93 3.89 2j6lD1 THR 494 H -0.09 0.22 0.12 -0.55 8.28 7.98 2j6lD1 THR 494 HA -0.06 0.20 0.92 -0.75 4.39 4.69 2j6lD1 THR 494 HB -0.05 -0.02 0.15 -0.04 4.32 4.37 2j6lD1 THR 494 HG23 -0.02 -0.01 -0.11 -0.04 1.22 1.03 2j6lD1 CYS 495 H -0.01 0.69 0.28 -0.55 8.50 8.91 2j6lD1 CYS 495 HA -0.01 0.13 0.75 -0.75 4.58 4.70 2j6lD1 CYS 495 HB2 0.01 -0.03 0.13 -0.04 2.97 3.03 2j6lD1 CYS 495 HB3 0.01 0.01 -0.07 -0.04 2.97 2.88 2j6lD1 THR 496 H 0.02 0.22 0.19 -0.55 8.28 8.17 2j6lD1 THR 496 HA 0.06 0.31 1.07 -0.75 4.39 5.08 2j6lD1 THR 496 HB 0.05 -0.01 0.15 -0.04 4.32 4.47 2j6lD1 THR 496 HG23 0.13 -0.01 -0.11 -0.04 1.22 1.19 2j6lD1 ILE 497 H 0.08 0.70 0.26 -0.55 8.25 8.75 2j6lD1 ILE 497 HA 0.02 0.17 0.87 -0.75 4.18 4.49 2j6lD1 ILE 497 HB 0.11 -0.10 0.14 -0.04 1.89 2.00 2j6lD1 ILE 497 HG12 0.03 0.06 -0.12 -0.04 1.49 1.42 2j6lD1 ILE 497 HG13 0.04 -0.03 -0.38 -0.04 1.21 0.80 2j6lD1 ILE 497 HG23 0.07 0.00 -0.22 -0.04 0.93 0.74 2j6lD1 ILE 497 HD13 0.03 0.00 -0.09 -0.04 0.88 0.79 2j6lD1 ASN 498 H -0.07 0.23 0.08 -0.55 8.53 8.22 2j6lD1 ASN 498 HA -0.78 0.16 0.93 -0.75 4.76 4.31 2j6lD1 ASN 498 HB2 -0.42 -0.01 0.08 -0.04 2.88 2.49 2j6lD1 ASN 498 HB3 -0.17 0.02 0.21 -0.04 2.79 2.81 2j6lD1 ASN 498 HD21 -0.11 0.01 -0.02 -0.04 7.03 6.87 2j6lD1 ASN 498 HD22 -0.09 -0.02 0.02 -0.04 7.74 7.61 2j6lD1 TYR 499 H -0.57 0.48 0.29 -0.55 8.29 7.94 2j6lD1 TYR 499 HA -0.07 0.18 0.74 -0.75 4.56 4.65 2j6lD1 TYR 499 HB2 -0.04 -0.02 0.13 -0.04 3.06 3.09 2j6lD1 TYR 499 HB3 -0.04 -0.02 -0.03 -0.04 2.98 2.84 2j6lD1 TYR 499 HD2 -0.03 -0.01 -0.14 -0.04 7.15 6.93 2j6lD1 TYR 499 HE2 0.01 -0.00 -0.28 -0.04 6.85 6.53 2j6lD1 SER 500 H -0.35 0.08 -0.17 -0.55 8.46 7.47 2j6lD1 SER 500 HA -0.01 0.20 0.41 -0.75 4.49 4.33 2j6lD1 SER 500 HB2 -0.09 0.00 0.04 -0.04 3.95 3.86 2j6lD1 SER 500 HB3 -0.34 0.00 0.11 -0.04 3.93 3.65