============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 1 1.000 127.358 81.690 22.895 -99.200 -91.000 TYR 9 0.840 146.764 80.349 19.244 -99.200 -91.000 TYR 10 0.840 146.582 75.229 12.850 -99.200 -91.000 PHE 11 1.000 152.936 77.861 16.246 -99.200 -91.000 PHE 15 1.000 162.063 72.827 15.877 -99.200 -91.000 PHE 16 1.000 155.487 74.860 19.331 -99.200 -91.000 PHE 31 1.000 144.054 76.433 7.265 -99.200 -91.000 TRP 50 1.040 145.159 72.924 17.221 -99.200 -91.000 TRP6 50 1.020 146.573 71.132 16.641 -99.200 -91.000 TYR 62 0.840 135.930 62.360 30.390 -99.200 -91.000 PHE 80 1.000 148.286 60.940 29.464 -99.200 -91.000 TYR 98 0.840 139.383 69.622 34.639 -99.200 -91.000 TYR 115 0.840 143.378 68.442 3.042 -99.200 -91.000 TYR 121 0.840 140.196 59.837 16.995 -99.200 -91.000 TRP 122 1.040 135.992 62.519 24.525 -99.200 -91.000 TRP6 122 1.020 135.242 63.844 26.327 -99.200 -91.000 TYR 142 0.840 142.274 83.958 22.915 -99.200 -91.000 TRP 159 1.040 151.232 88.131 12.326 -99.200 -91.000 TRP6 159 1.020 149.722 86.324 12.389 -99.200 -91.000 TYR 164 0.840 145.627 91.915 13.956 -99.200 -91.000 TRP 174 1.040 150.514 88.497 0.121 -99.200 -91.000 TRP6 174 1.020 152.774 88.143 0.697 -99.200 -91.000 PHE 178 1.000 146.009 87.194 2.560 -99.200 -91.000 TYR 183 0.840 139.441 88.523 2.273 -99.200 -91.000 TYR 186 0.840 140.409 93.287 11.536 -99.200 -91.000 PHE 191 1.000 154.791 98.120 23.794 -99.200 -91.000 TYR 200 0.840 133.177 92.886 24.391 -99.200 -91.000 PHE 203 1.000 142.953 85.432 18.688 -99.200 -91.000 TYR 226 0.840 131.128 104.421 22.434 -99.200 -91.000 HIS 246 0.900 101.374 122.062 18.807 -99.200 -91.000 TYR 264 0.840 125.213 108.863 26.062 -99.200 -91.000 HIS 266 0.900 118.378 112.089 20.016 -99.200 -91.000 TRP 268 1.040 110.624 118.823 20.097 -99.200 -91.000 TRP6 268 1.020 109.752 116.672 19.660 -99.200 -91.000 TYR 287 0.840 98.305 120.031 35.920 -99.200 -91.000 TYR 294 0.840 114.537 105.396 27.330 -99.200 -91.000 TYR 295 0.840 118.408 106.130 17.406 -99.200 -91.000 TYR 303 0.840 122.724 93.082 27.591 -99.200 -91.000 TYR 331 0.840 117.916 91.994 23.912 -99.200 -91.000 TYR 338 0.840 112.819 100.526 27.642 -99.200 -91.000 TYR 357 0.840 100.909 134.841 29.834 -99.200 -91.000 PHE 376 1.000 124.739 108.804 35.590 -99.200 -91.000 PHE 380 1.000 130.697 94.399 29.699 -99.200 -91.000 TYR 383 0.840 132.635 83.253 25.731 -99.200 -91.000 TRP 396 1.040 127.207 98.662 29.057 -99.200 -91.000 TRP6 396 1.020 128.818 98.704 27.333 -99.200 -91.000 TYR 399 0.840 133.914 98.057 31.218 -99.200 -91.000 PHE 428 1.000 149.837 118.680 18.780 -99.200 -91.000 PHE 445 1.000 130.202 106.498 10.371 -99.200 -91.000 PHE 454 1.000 134.172 105.934 1.972 -99.200 -91.000 TYR 455 0.840 131.951 99.759 -2.608 -99.200 -91.000 PHE 456 1.000 126.326 103.081 3.550 -99.200 -91.000 HIS 457 0.900 125.229 98.794 1.897 -99.200 -91.000 PHE 467 1.000 126.594 119.710 8.655 -99.200 -91.000 PHE 476 1.000 139.764 118.081 5.701 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2j42A1 PHE 18 HA 0.04 -0.14 0.19 -0.75 4.62 3.95 2j42A1 PHE 18 HB2 0.05 0.03 0.04 -0.04 3.15 3.22 2j42A1 PHE 18 HB3 0.07 0.07 -0.17 -0.04 3.06 2.99 2j42A1 PHE 18 HD2 0.08 0.00 -0.03 -0.04 7.28 7.29 2j42A1 PHE 18 HE2 0.12 -0.00 0.03 -0.04 7.38 7.49 2j42A1 PHE 18 HZ 0.11 -0.11 0.05 -0.04 7.32 7.33 2j42A1 THR 19 H -0.06 0.07 0.05 -0.55 8.28 7.80 2j42A1 THR 19 HA 0.03 0.03 0.36 -0.75 4.39 4.06 2j42A1 THR 19 HB -0.00 0.03 -0.01 -0.04 4.32 4.30 2j42A1 THR 19 HG23 -0.03 -0.00 0.07 -0.04 1.22 1.22 2j42A1 ILE 20 H 0.12 0.05 -0.23 -0.55 8.25 7.64 2j42A1 ILE 20 HA 0.06 0.07 0.38 -0.75 4.18 3.93 2j42A1 ILE 20 HB 0.11 -0.02 0.14 -0.04 1.89 2.08 2j42A1 ILE 20 HG12 0.12 -0.10 0.02 -0.04 1.49 1.49 2j42A1 ILE 20 HG13 0.06 0.04 -0.06 -0.04 1.21 1.20 2j42A1 ILE 20 HG23 -0.01 -0.01 -0.10 -0.04 0.93 0.77 2j42A1 ILE 20 HD13 -0.01 0.01 -0.13 -0.04 0.88 0.71 2j42A1 ASN 21 H 0.08 0.64 0.09 -0.55 8.53 8.80 2j42A1 ASN 21 HA 0.09 -0.03 0.82 -0.75 4.76 4.88 2j42A1 ASN 21 HB2 0.18 0.09 -0.12 -0.04 2.88 2.99 2j42A1 ASN 21 HB3 0.09 -0.04 0.20 -0.04 2.79 2.99 2j42A1 ASN 21 HD21 0.03 -0.05 0.08 -0.04 7.03 7.05 2j42A1 ASN 21 HD22 0.11 -0.05 0.05 -0.04 7.74 7.81 2j42A1 GLY 22 H 0.04 0.10 0.07 -0.55 8.43 8.09 2j42A1 GLY 22 HA2 -0.02 -0.03 0.07 -0.51 4.01 3.52 2j42A1 GLY 22 HA3 -0.00 0.34 0.53 -0.51 4.01 4.37 2j42A1 LEU 23 H -0.02 0.30 0.04 -0.55 8.37 8.14 2j42A1 LEU 23 HA 0.04 0.16 0.80 -0.75 4.35 4.61 2j42A1 LEU 23 HB2 -0.04 0.01 -0.01 -0.04 1.64 1.55 2j42A1 LEU 23 HB3 0.07 0.07 -0.18 -0.04 1.64 1.56 2j42A1 LEU 23 HG -0.08 -0.03 -0.17 -0.04 1.64 1.31 2j42A1 LEU 23 HD13 0.01 -0.00 -0.27 -0.04 0.93 0.62 2j42A1 LEU 23 HD23 -0.01 0.02 -0.32 -0.04 0.89 0.53 2j42A1 MET 24 H 0.12 0.26 0.26 -0.55 8.47 8.56 2j42A1 MET 24 HA 0.07 0.00 0.66 -0.75 4.52 4.50 2j42A1 MET 24 HB2 0.22 -0.04 0.13 -0.04 2.15 2.42 2j42A1 MET 24 HB3 0.22 -0.03 0.11 -0.04 2.03 2.29 2j42A1 MET 24 HG2 0.40 -0.02 -0.06 -0.04 2.63 2.91 2j42A1 MET 24 HG3 -0.24 0.12 -0.15 -0.04 2.56 2.26 2j42A1 MET 24 HE3 0.23 -0.01 -0.09 -0.04 2.10 2.19 2j42A1 GLY 25 H -0.03 0.34 0.17 -0.55 8.43 8.37 2j42A1 GLY 25 HA2 0.06 0.05 0.79 -0.51 4.01 4.40 2j42A1 GLY 25 HA3 0.18 0.08 0.26 -0.51 4.01 4.02 2j42A1 TYR 26 H -0.88 0.09 0.04 -0.55 8.29 6.98 2j42A1 TYR 26 HA -0.51 0.22 0.93 -0.75 4.56 4.44 2j42A1 TYR 26 HB2 -0.39 0.03 0.19 -0.04 3.06 2.85 2j42A1 TYR 26 HB3 -0.63 -0.08 0.04 -0.04 2.98 2.28 2j42A1 TYR 26 HD2 -0.26 0.10 -0.01 -0.04 7.15 6.94 2j42A1 TYR 26 HE2 -0.21 0.03 -0.06 -0.04 6.85 6.57 2j42A1 TYR 27 H -0.35 0.64 0.31 -0.55 8.29 8.34 2j42A1 TYR 27 HA -0.12 0.19 1.04 -0.75 4.56 4.91 2j42A1 TYR 27 HB2 0.03 -0.02 0.01 -0.04 3.06 3.04 2j42A1 TYR 27 HB3 0.08 0.07 0.06 -0.04 2.98 3.14 2j42A1 TYR 27 HD2 0.01 0.05 -0.07 -0.04 7.15 7.10 2j42A1 TYR 27 HE2 0.46 0.07 -0.11 -0.04 6.85 7.24 2j42A1 PHE 28 H 0.44 0.45 0.07 -0.55 8.34 8.74 2j42A1 PHE 28 HA 0.11 0.21 0.64 -0.75 4.62 4.82 2j42A1 PHE 28 HB2 0.05 0.19 0.05 -0.04 3.15 3.40 2j42A1 PHE 28 HB3 0.06 -0.16 0.11 -0.04 3.06 3.03 2j42A1 PHE 28 HD2 0.07 -0.68 -0.05 -0.04 7.28 6.58 2j42A1 PHE 28 HE2 -0.13 0.08 -0.14 -0.04 7.38 7.15 2j42A1 PHE 28 HZ -0.31 0.11 -0.11 -0.04 7.32 6.97 2j42A1 GLU 29 H 0.17 0.37 0.12 -0.55 8.60 8.72 2j42A1 GLU 29 HA 0.08 0.09 0.42 -0.75 4.29 4.13 2j42A1 GLU 29 HB2 0.09 0.05 0.09 -0.04 2.09 2.29 2j42A1 GLU 29 HB3 0.09 0.00 0.03 -0.04 1.99 2.07 2j42A1 GLU 29 HG2 0.04 -0.05 -0.02 -0.04 2.34 2.27 2j42A1 GLU 29 HG3 0.04 -0.02 -0.01 -0.04 2.34 2.30 2j42A1 ASN 30 H 0.14 0.02 -0.22 -0.55 8.53 7.92 2j42A1 ASN 30 HA 0.00 0.16 0.63 -0.75 4.76 4.80 2j42A1 ASN 30 HB2 0.06 -0.08 -0.14 -0.04 2.88 2.68 2j42A1 ASN 30 HB3 0.04 0.05 -0.06 -0.04 2.79 2.78 2j42A1 ASN 30 HD21 0.06 0.03 -0.03 -0.04 7.03 7.06 2j42A1 ASN 30 HD22 0.06 0.01 -0.04 -0.04 7.74 7.73 2j42A1 ASP 31 H -0.15 0.18 0.10 -0.55 8.40 7.99 2j42A1 ASP 31 HA -0.39 0.11 0.25 -0.75 4.63 3.84 2j42A1 ASP 31 HB2 -0.52 -0.04 0.08 -0.04 2.71 2.19 2j42A1 ASP 31 HB3 -1.17 0.00 0.09 -0.04 2.70 1.58 2j42A1 PHE 32 H -0.21 -0.02 -1.12 -0.55 8.34 6.44 2j42A1 PHE 32 HA -0.83 0.15 0.63 -0.75 4.62 3.81 2j42A1 PHE 32 HB2 -0.21 -0.02 0.03 -0.04 3.15 2.91 2j42A1 PHE 32 HB3 -0.35 0.02 0.10 -0.04 3.06 2.79 2j42A1 PHE 32 HD2 -0.21 -0.03 -0.08 -0.04 7.28 6.92 2j42A1 PHE 32 HE2 -0.09 -0.03 -0.04 -0.04 7.38 7.17 2j42A1 PHE 32 HZ -0.07 -0.04 -0.04 -0.04 7.32 7.14 2j42A1 PHE 33 H -0.79 0.17 -0.01 -0.55 8.34 7.15 2j42A1 PHE 33 HA -1.87 -0.12 0.37 -0.75 4.62 2.24 2j42A1 PHE 33 HB2 -0.33 0.13 0.07 -0.04 3.15 2.98 2j42A1 PHE 33 HB3 -0.77 -0.01 -0.01 -0.04 3.06 2.23 2j42A1 PHE 33 HD2 -0.98 -0.01 -0.06 -0.04 7.28 6.19 2j42A1 PHE 33 HE2 -0.18 0.06 0.09 -0.04 7.38 7.31 2j42A1 PHE 33 HZ -0.11 -0.07 0.09 -0.04 7.32 7.19 2j42A1 ASN 34 H 0.68 -0.16 0.17 -0.55 8.53 8.67 2j42A1 ASN 34 HA 0.11 0.17 0.56 -0.75 4.76 4.84 2j42A1 ASN 34 HB2 0.13 -0.13 -0.07 -0.04 2.88 2.76 2j42A1 ASN 34 HB3 0.08 0.02 0.15 -0.04 2.79 3.00 2j42A1 ASN 34 HD21 0.03 -0.00 0.02 -0.04 7.03 7.04 2j42A1 ASN 34 HD22 0.04 -0.06 0.12 -0.04 7.74 7.80 2j42A1 LEU 35 H 1.06 -0.18 0.13 -0.55 8.37 8.84 2j42A1 LEU 35 HA -0.29 0.14 0.38 -0.75 4.35 3.82 2j42A1 LEU 35 HB2 -0.19 0.18 -0.37 -0.04 1.64 1.21 2j42A1 LEU 35 HB3 -0.38 0.03 0.12 -0.04 1.64 1.36 2j42A1 LEU 35 HG -0.74 -0.03 -0.07 -0.04 1.64 0.76 2j42A1 LEU 35 HD13 -0.79 0.05 0.00 -0.04 0.93 0.15 2j42A1 LEU 35 HD23 -0.21 0.00 -0.11 -0.04 0.89 0.53 2j42A1 ASN 36 H 0.04 0.16 0.16 -0.55 8.53 8.34 2j42A1 ASN 36 HA 0.39 0.03 0.42 -0.75 4.76 4.84 2j42A1 ASN 36 HB2 0.15 -0.14 -0.18 -0.04 2.88 2.67 2j42A1 ASN 36 HB3 0.17 0.10 -0.15 -0.04 2.79 2.87 2j42A1 ASN 36 HD21 0.08 0.06 0.00 -0.04 7.03 7.12 2j42A1 ASN 36 HD22 0.12 0.03 -0.14 -0.04 7.74 7.70 2j42A1 ILE 37 H 0.13 0.50 0.31 -0.55 8.25 8.64 2j42A1 ILE 37 HA 0.42 0.12 0.74 -0.75 4.18 4.71 2j42A1 ILE 37 HB 0.27 -0.08 -0.04 -0.04 1.89 2.00 2j42A1 ILE 37 HG12 0.17 0.10 0.05 -0.04 1.49 1.77 2j42A1 ILE 37 HG13 0.21 -0.20 -0.77 -0.04 1.21 0.40 2j42A1 ILE 37 HG23 0.09 0.05 -0.10 -0.04 0.93 0.93 2j42A1 ILE 37 HD13 0.26 0.00 -0.10 -0.04 0.88 1.00 2j42A1 ILE 38 H 0.20 0.65 0.20 -0.55 8.25 8.76 2j42A1 ILE 38 HA -0.16 0.05 1.00 -0.75 4.18 4.32 2j42A1 ILE 38 HB 0.30 -0.03 0.14 -0.04 1.89 2.27 2j42A1 ILE 38 HG12 -0.01 0.04 0.14 -0.04 1.49 1.62 2j42A1 ILE 38 HG13 0.02 -0.13 -0.35 -0.04 1.21 0.71 2j42A1 ILE 38 HG23 0.02 0.06 -0.03 -0.04 0.93 0.93 2j42A1 ILE 38 HD13 0.07 -0.01 -0.02 -0.04 0.88 0.88 2j42A1 SER 39 H -0.05 0.08 0.10 -0.55 8.46 8.04 2j42A1 SER 39 HA -0.06 0.38 1.10 -0.75 4.49 5.15 2j42A1 SER 39 HB2 -0.16 0.04 0.20 -0.04 3.95 3.99 2j42A1 SER 39 HB3 -0.21 -0.05 0.04 -0.04 3.93 3.67 2j42A1 PRO 40 HA 0.03 -0.08 0.59 -0.51 4.44 4.46 2j42A1 PRO 40 HB2 0.01 0.05 -0.14 -0.04 2.28 2.17 2j42A1 PRO 40 HB3 0.02 -0.01 -0.00 -0.04 2.02 1.99 2j42A1 PRO 40 HG2 -0.03 0.01 -0.11 -0.04 2.03 1.86 2j42A1 PRO 40 HG3 -0.04 0.07 -0.03 -0.04 2.03 1.99 2j42A1 PRO 40 HD2 -0.07 0.10 0.17 -0.04 3.68 3.84 2j42A1 PRO 40 HD3 -0.06 0.23 0.19 -0.04 3.65 3.97 2j42A1 THR 41 H 0.03 0.52 0.18 -0.55 8.28 8.47 2j42A1 THR 41 HA 0.00 0.15 0.92 -0.75 4.39 4.71 2j42A1 THR 41 HB -0.09 -0.10 -0.06 -0.04 4.32 4.03 2j42A1 THR 41 HG23 0.05 0.01 -0.14 -0.04 1.22 1.10 2j42A1 LEU 42 H -0.02 0.15 0.14 -0.55 8.37 8.09 2j42A1 LEU 42 HA -0.00 0.23 0.44 -0.75 4.35 4.27 2j42A1 LEU 42 HB2 -0.01 0.01 0.16 -0.04 1.64 1.76 2j42A1 LEU 42 HB3 -0.02 -0.11 0.11 -0.04 1.64 1.58 2j42A1 LEU 42 HG -0.00 0.03 0.11 -0.04 1.64 1.74 2j42A1 LEU 42 HD13 0.01 0.04 0.11 -0.04 0.93 1.04 2j42A1 LEU 42 HD23 0.00 -0.03 0.03 -0.04 0.89 0.84 2j42A1 ASP 43 H -0.07 0.05 -0.32 -0.55 8.40 7.51 2j42A1 ASP 43 HA -0.09 0.14 0.37 -0.75 4.63 4.30 2j42A1 ASP 43 HB2 -0.09 -0.17 0.27 -0.04 2.71 2.68 2j42A1 ASP 43 HB3 -0.06 0.04 0.17 -0.04 2.70 2.81 2j42A1 GLY 44 H -0.13 0.30 0.10 -0.55 8.43 8.16 2j42A1 GLY 44 HA2 -0.24 0.13 0.54 -0.51 4.01 3.93 2j42A1 GLY 44 HA3 -0.21 0.02 0.39 -0.51 4.01 3.70 2j42A1 ASN 45 H -0.13 0.04 -0.27 -0.55 8.53 7.63 2j42A1 ASN 45 HA -0.18 0.21 0.89 -0.75 4.76 4.92 2j42A1 ASN 45 HB2 -0.07 -0.04 0.06 -0.04 2.88 2.79 2j42A1 ASN 45 HB3 -0.05 -0.02 0.19 -0.04 2.79 2.87 2j42A1 ASN 45 HD21 0.00 0.00 -0.06 -0.04 7.03 6.94 2j42A1 ASN 45 HD22 -0.01 -0.00 -0.01 -0.04 7.74 7.68 2j42A1 LEU 46 H -0.33 0.38 -0.04 -0.55 8.37 7.83 2j42A1 LEU 46 HA -0.20 0.09 0.51 -0.75 4.35 4.00 2j42A1 LEU 46 HB2 -0.99 -0.04 0.15 -0.04 1.64 0.72 2j42A1 LEU 46 HB3 -1.17 0.01 0.03 -0.04 1.64 0.47 2j42A1 LEU 46 HG -0.68 0.05 -0.08 -0.04 1.64 0.89 2j42A1 LEU 46 HD13 -1.52 -0.01 -0.09 -0.04 0.93 -0.74 2j42A1 LEU 46 HD23 -0.36 -0.08 -0.31 -0.04 0.89 0.11 2j42A1 THR 47 H -0.02 0.44 -0.09 -0.55 8.28 8.06 2j42A1 THR 47 HA 0.07 0.14 0.80 -0.75 4.39 4.65 2j42A1 THR 47 HB 0.10 -0.11 0.08 -0.04 4.32 4.34 2j42A1 THR 47 HG23 0.01 -0.01 -0.26 -0.04 1.22 0.92 2j42A1 PHE 48 H 0.08 0.14 0.01 -0.55 8.34 8.02 2j42A1 PHE 48 HA -0.08 0.11 0.57 -0.75 4.62 4.46 2j42A1 PHE 48 HB2 -0.21 0.12 -0.20 -0.04 3.15 2.82 2j42A1 PHE 48 HB3 -0.26 0.02 0.06 -0.04 3.06 2.84 2j42A1 PHE 48 HD2 -0.26 -0.05 -0.09 -0.04 7.28 6.83 2j42A1 PHE 48 HE2 -0.08 -0.04 -0.09 -0.04 7.38 7.13 2j42A1 PHE 48 HZ -0.08 0.05 -0.06 -0.04 7.32 7.19 2j42A1 SER 49 H 0.06 0.12 0.06 -0.55 8.46 8.16 2j42A1 SER 49 HA -0.68 0.02 0.43 -0.75 4.49 3.50 2j42A1 SER 49 HB2 0.04 0.05 0.13 -0.04 3.95 4.13 2j42A1 SER 49 HB3 -0.00 0.09 0.10 -0.04 3.93 4.08 2j42A1 LYS 50 H -1.26 0.12 0.20 -0.55 8.42 6.92 2j42A1 LYS 50 HA -0.50 0.24 0.47 -0.75 4.32 3.78 2j42A1 LYS 50 HB2 -0.18 -0.01 0.16 -0.04 1.87 1.80 2j42A1 LYS 50 HB3 -0.45 0.19 0.15 -0.04 1.79 1.64 2j42A1 LYS 50 HG2 0.24 -0.06 0.04 -0.04 1.46 1.65 2j42A1 LYS 50 HG3 -0.04 -0.01 -0.26 -0.04 1.46 1.11 2j42A1 LYS 50 HD2 0.03 0.05 -0.03 -0.04 1.69 1.69 2j42A1 LYS 50 HD3 0.20 -0.01 -0.03 -0.04 1.68 1.79 2j42A1 LYS 50 HE2 0.05 -0.02 -0.08 -0.04 2.99 2.89 2j42A1 LYS 50 HE3 -0.01 -0.00 -0.10 -0.04 2.99 2.83 2j42A1 GLU 51 H -0.17 0.02 -0.51 -0.55 8.60 7.40 2j42A1 GLU 51 HA -0.07 0.15 0.60 -0.75 4.29 4.21 2j42A1 GLU 51 HB2 -0.01 -0.04 0.03 -0.04 2.09 2.04 2j42A1 GLU 51 HB3 -0.02 0.02 -0.02 -0.04 1.99 1.93 2j42A1 GLU 51 HG2 -0.01 0.04 0.12 -0.04 2.34 2.44 2j42A1 GLU 51 HG3 -0.02 0.01 0.10 -0.04 2.34 2.39 2j42A1 ASP 52 H -0.17 0.44 -0.50 -0.55 8.40 7.63 2j42A1 ASP 52 HA 0.01 0.18 0.79 -0.75 4.63 4.86 2j42A1 ASP 52 HB2 0.43 0.17 -0.03 -0.04 2.71 3.24 2j42A1 ASP 52 HB3 0.25 0.02 0.10 -0.04 2.70 3.04 2j42A1 ILE 53 H -0.15 0.22 -0.29 -0.55 8.25 7.48 2j42A1 ILE 53 HA -0.07 0.20 0.80 -0.75 4.18 4.36 2j42A1 ILE 53 HB -0.21 -0.05 0.20 -0.04 1.89 1.80 2j42A1 ILE 53 HG12 -0.44 -0.05 0.05 -0.04 1.49 1.00 2j42A1 ILE 53 HG13 -0.21 0.14 -0.04 -0.04 1.21 1.06 2j42A1 ILE 53 HG23 -0.73 0.04 -0.17 -0.04 0.93 0.02 2j42A1 ILE 53 HD13 -0.25 0.01 0.05 -0.04 0.88 0.65 2j42A1 ASN 54 H -0.09 0.16 -0.18 -0.55 8.53 7.88 2j42A1 ASN 54 HA -0.08 0.16 0.48 -0.75 4.76 4.57 2j42A1 ASN 54 HB2 -0.06 0.04 0.04 -0.04 2.88 2.86 2j42A1 ASN 54 HB3 -0.05 0.01 0.18 -0.04 2.79 2.89 2j42A1 ASN 54 HD21 -0.03 -0.03 0.02 -0.04 7.03 6.95 2j42A1 ASN 54 HD22 -0.03 0.01 0.03 -0.04 7.74 7.72 2j42A1 SER 55 H -0.10 0.02 -1.10 -0.55 8.46 6.75 2j42A1 SER 55 HA -0.07 0.18 0.73 -0.75 4.49 4.58 2j42A1 SER 55 HB2 -0.54 -0.01 -0.04 -0.04 3.95 3.32 2j42A1 SER 55 HB3 -0.29 -0.01 -0.26 -0.04 3.93 3.33 2j42A1 ILE 56 H -0.09 0.34 0.02 -0.55 8.25 7.97 2j42A1 ILE 56 HA -0.20 0.07 0.77 -0.75 4.18 4.06 2j42A1 ILE 56 HB -0.07 0.06 0.09 -0.04 1.89 1.93 2j42A1 ILE 56 HG12 0.03 -0.03 -0.14 -0.04 1.49 1.31 2j42A1 ILE 56 HG13 0.01 0.07 -0.07 -0.04 1.21 1.17 2j42A1 ILE 56 HG23 -0.10 0.07 -0.57 -0.04 0.93 0.30 2j42A1 ILE 56 HD13 -0.14 -0.01 -0.02 -0.04 0.88 0.67 2j42A1 LEU 57 H -0.35 0.08 0.04 -0.55 8.37 7.59 2j42A1 LEU 57 HA -0.12 0.13 0.24 -0.75 4.35 3.84 2j42A1 LEU 57 HB2 -0.30 0.08 0.13 -0.04 1.64 1.51 2j42A1 LEU 57 HB3 -0.17 -0.07 0.14 -0.04 1.64 1.50 2j42A1 LEU 57 HG -0.05 -0.14 0.20 -0.04 1.64 1.60 2j42A1 LEU 57 HD13 -0.01 0.03 0.02 -0.04 0.93 0.93 2j42A1 LEU 57 HD23 -0.01 0.02 0.07 -0.04 0.89 0.92 2j42A1 GLY 58 H -0.06 0.12 0.12 -0.55 8.43 8.07 2j42A1 GLY 58 HA2 -0.04 0.10 0.43 -0.51 4.01 3.99 2j42A1 GLY 58 HA3 -0.03 0.03 0.33 -0.51 4.01 3.83 2j42A1 ASN 59 H -0.07 0.00 -0.40 -0.55 8.53 7.52 2j42A1 ASN 59 HA -0.02 0.08 0.18 -0.75 4.76 4.24 2j42A1 ASN 59 HB2 -0.03 0.05 0.08 -0.04 2.88 2.94 2j42A1 ASN 59 HB3 -0.00 0.04 0.05 -0.04 2.79 2.84 2j42A1 ASN 59 HD21 -0.01 -0.00 0.01 -0.04 7.03 6.98 2j42A1 ASN 59 HD22 0.01 0.04 0.00 -0.04 7.74 7.75 2j42A1 LYS 60 H -0.06 0.90 -0.15 -0.55 8.42 8.56 2j42A1 LYS 60 HA -0.09 0.13 0.56 -0.75 4.32 4.16 2j42A1 LYS 60 HB2 -0.08 -0.13 0.17 -0.04 1.87 1.79 2j42A1 LYS 60 HB3 -0.15 -0.03 0.06 -0.04 1.79 1.64 2j42A1 LYS 60 HG2 -0.13 0.02 0.08 -0.04 1.46 1.39 2j42A1 LYS 60 HG3 -0.09 0.27 -0.11 -0.04 1.46 1.49 2j42A1 LYS 60 HD2 -0.07 -0.12 0.06 -0.04 1.69 1.52 2j42A1 LYS 60 HD3 -0.10 -0.11 0.04 -0.04 1.68 1.46 2j42A1 LYS 60 HE2 -0.09 -0.13 -0.02 -0.04 2.99 2.71 2j42A1 LYS 60 HE3 -0.09 0.56 0.22 -0.04 2.99 3.64 2j42A1 ILE 61 H -0.04 0.19 0.10 -0.55 8.25 7.96 2j42A1 ILE 61 HA -0.03 -0.03 0.41 -0.75 4.18 3.77 2j42A1 ILE 61 HB -0.01 0.04 0.18 -0.04 1.89 2.06 2j42A1 ILE 61 HG12 -0.03 -0.11 0.22 -0.04 1.49 1.54 2j42A1 ILE 61 HG13 -0.02 0.00 0.14 -0.04 1.21 1.29 2j42A1 ILE 61 HG23 -0.01 -0.03 0.01 -0.04 0.93 0.86 2j42A1 ILE 61 HD13 -0.01 0.00 0.04 -0.04 0.88 0.87 2j42A1 ILE 62 H -0.05 0.57 0.39 -0.55 8.25 8.61 2j42A1 ILE 62 HA 0.05 -0.07 0.18 -0.75 4.18 3.59 2j42A1 ILE 62 HB -0.00 -0.02 -0.01 -0.04 1.89 1.81 2j42A1 ILE 62 HG12 -0.11 0.25 0.09 -0.04 1.49 1.68 2j42A1 ILE 62 HG13 -0.04 -0.03 -0.05 -0.04 1.21 1.05 2j42A1 ILE 62 HG23 0.14 -0.04 -0.23 -0.04 0.93 0.75 2j42A1 ILE 62 HD13 0.07 -0.05 -0.17 -0.04 0.88 0.69 2j42A1 LYS 63 H 0.08 0.17 0.14 -0.55 8.42 8.26 2j42A1 LYS 63 HA 0.01 0.16 0.83 -0.75 4.32 4.56 2j42A1 LYS 63 HB2 -0.02 -0.00 -0.15 -0.04 1.87 1.66 2j42A1 LYS 63 HB3 -0.10 -0.03 -0.07 -0.04 1.79 1.56 2j42A1 LYS 63 HG2 0.00 0.12 -0.06 -0.04 1.46 1.48 2j42A1 LYS 63 HG3 -0.01 0.48 0.06 -0.04 1.46 1.94 2j42A1 LYS 63 HD2 -0.07 -0.12 0.05 -0.04 1.69 1.51 2j42A1 LYS 63 HD3 -0.04 0.03 -0.01 -0.04 1.68 1.63 2j42A1 LYS 63 HE2 -0.01 0.12 0.02 -0.04 2.99 3.09 2j42A1 LYS 63 HE3 -0.02 -0.09 0.05 -0.04 2.99 2.90 2j42A1 SER 64 H 0.10 0.30 0.16 -0.55 8.46 8.48 2j42A1 SER 64 HA 0.05 0.14 0.82 -0.75 4.49 4.75 2j42A1 SER 64 HB2 -0.01 -0.06 0.25 -0.04 3.95 4.08 2j42A1 SER 64 HB3 -0.23 0.14 0.13 -0.04 3.93 3.93 2j42A1 ALA 65 H 0.20 0.39 0.35 -0.55 8.40 8.79 2j42A1 ALA 65 HA 0.20 0.19 0.68 -0.75 4.34 4.65 2j42A1 ALA 65 HB3 -0.45 0.03 -0.04 -0.04 1.41 0.91 2j42A1 ARG 66 H -0.77 0.36 0.22 -0.55 8.46 7.72 2j42A1 ARG 66 HA -0.32 0.36 0.65 -0.75 4.34 4.28 2j42A1 ARG 66 HB2 -0.47 -0.00 -0.23 -0.04 1.90 1.16 2j42A1 ARG 66 HB3 -0.17 -0.02 0.12 -0.04 1.80 1.69 2j42A1 ARG 66 HG2 -0.20 -0.05 -0.21 -0.04 1.67 1.17 2j42A1 ARG 66 HG3 -0.46 -0.03 -0.03 -0.04 1.67 1.10 2j42A1 ARG 66 HD2 -0.33 0.01 -0.07 -0.04 3.22 2.79 2j42A1 ARG 66 HD3 -0.29 0.00 -0.08 -0.04 3.22 2.81 2j42A1 TRP 67 H 0.08 0.36 0.17 -0.55 7.97 8.04 2j42A1 TRP 67 HA 0.05 0.27 1.01 -0.75 4.62 5.20 2j42A1 TRP 67 HB2 0.01 -0.05 0.07 -0.04 3.23 3.22 2j42A1 TRP 67 HB3 -0.00 0.13 -0.15 -0.04 3.23 3.16 2j42A1 TRP 67 HD1 -0.08 0.09 -0.18 -0.04 7.22 7.01 2j42A1 TRP 67 HE1 0.26 0.09 -0.11 -0.04 10.20 10.39 2j42A1 TRP 67 HE3 0.05 0.01 0.03 -0.04 7.59 7.65 2j42A1 TRP 67 HZ2 0.55 0.07 -0.08 -0.04 7.44 7.93 2j42A1 TRP 67 HZ3 0.10 0.04 -0.16 -0.04 7.13 7.07 2j42A1 TRP 67 HH2 0.19 -0.01 -0.11 -0.04 7.19 7.21 2j42A1 ILE 68 H 0.23 0.46 0.29 -0.55 8.25 8.68 2j42A1 ILE 68 HA 0.08 0.07 0.70 -0.75 4.18 4.27 2j42A1 ILE 68 HB -0.01 -0.04 -0.07 -0.04 1.89 1.73 2j42A1 ILE 68 HG12 -0.04 -0.01 0.02 -0.04 1.49 1.42 2j42A1 ILE 68 HG13 -0.00 0.07 -0.07 -0.04 1.21 1.16 2j42A1 ILE 68 HG23 0.10 0.02 -0.14 -0.04 0.93 0.87 2j42A1 ILE 68 HD13 -0.09 -0.01 -0.02 -0.04 0.88 0.72 2j42A1 GLY 69 H 0.02 0.19 0.19 -0.55 8.43 8.28 2j42A1 GLY 69 HA2 0.00 -0.01 0.29 -0.51 4.01 3.79 2j42A1 GLY 69 HA3 0.04 0.21 0.73 -0.51 4.01 4.47 2j42A1 LEU 70 H 0.01 0.81 0.20 -0.55 8.37 8.84 2j42A1 LEU 70 HA 0.01 0.18 0.68 -0.75 4.35 4.47 2j42A1 LEU 70 HB2 -0.01 0.16 -0.07 -0.04 1.64 1.68 2j42A1 LEU 70 HB3 -0.02 -0.11 0.04 -0.04 1.64 1.51 2j42A1 LEU 70 HG -0.02 -0.08 -0.24 -0.04 1.64 1.26 2j42A1 LEU 70 HD13 -0.04 0.02 -0.06 -0.04 0.93 0.81 2j42A1 LEU 70 HD23 -0.02 -0.00 -0.19 -0.04 0.89 0.64 2j42A1 ILE 71 H 0.01 -0.01 0.13 -0.55 8.25 7.82 2j42A1 ILE 71 HA -0.04 0.23 0.58 -0.75 4.18 4.20 2j42A1 ILE 71 HB 0.04 -0.03 -0.12 -0.04 1.89 1.74 2j42A1 ILE 71 HG12 0.06 0.00 -0.57 -0.04 1.49 0.95 2j42A1 ILE 71 HG13 0.23 -0.17 0.10 -0.04 1.21 1.33 2j42A1 ILE 71 HG23 -0.13 0.06 -0.05 -0.04 0.93 0.76 2j42A1 ILE 71 HD13 0.05 -0.01 -0.15 -0.04 0.88 0.73 2j42A1 LYS 72 H -0.01 0.80 0.19 -0.55 8.42 8.85 2j42A1 LYS 72 HA 0.05 0.38 1.03 -0.75 4.32 5.03 2j42A1 LYS 72 HB2 0.00 -0.05 0.04 -0.04 1.87 1.82 2j42A1 LYS 72 HB3 -0.04 -0.03 -0.11 -0.04 1.79 1.57 2j42A1 LYS 72 HG2 -0.03 -0.03 -0.06 -0.04 1.46 1.30 2j42A1 LYS 72 HG3 0.00 -0.01 0.28 -0.04 1.46 1.69 2j42A1 LYS 72 HD2 -0.01 -0.06 0.06 -0.04 1.69 1.63 2j42A1 LYS 72 HD3 -0.04 0.04 0.02 -0.04 1.68 1.66 2j42A1 LYS 72 HE2 -0.07 0.07 -0.14 -0.04 2.99 2.81 2j42A1 LYS 72 HE3 -0.04 -0.02 -0.25 -0.04 2.99 2.65 2j42A1 PRO 73 HA 0.28 0.05 0.30 -0.51 4.44 4.56 2j42A1 PRO 73 HB2 0.37 -0.22 -0.03 -0.04 2.28 2.36 2j42A1 PRO 73 HB3 0.30 0.05 -0.01 -0.04 2.02 2.33 2j42A1 PRO 73 HG2 0.24 -0.11 -0.78 -0.04 2.03 1.34 2j42A1 PRO 73 HG3 0.40 -0.07 -0.27 -0.04 2.03 2.04 2j42A1 PRO 73 HD2 0.14 0.22 0.21 -0.04 3.68 4.21 2j42A1 PRO 73 HD3 0.28 0.19 0.13 -0.04 3.65 4.20 2j42A1 SER 74 H 0.23 0.08 0.12 -0.55 8.46 8.34 2j42A1 SER 74 HA 0.09 0.24 0.86 -0.75 4.49 4.92 2j42A1 SER 74 HB2 0.09 0.12 0.04 -0.04 3.95 4.16 2j42A1 SER 74 HB3 0.13 -0.04 0.01 -0.04 3.93 3.99 2j42A1 ILE 75 H 0.19 0.12 -0.03 -0.55 8.25 7.98 2j42A1 ILE 75 HA 0.06 0.03 0.48 -0.75 4.18 3.99 2j42A1 ILE 75 HB 0.04 0.19 -0.21 -0.04 1.89 1.87 2j42A1 ILE 75 HG12 -0.02 0.09 -0.10 -0.04 1.49 1.42 2j42A1 ILE 75 HG13 0.01 -0.02 0.14 -0.04 1.21 1.31 2j42A1 ILE 75 HG23 0.00 -0.02 -0.16 -0.04 0.93 0.71 2j42A1 ILE 75 HD13 -0.01 -0.01 -0.00 -0.04 0.88 0.82 2j42A1 THR 76 H 0.03 0.13 0.18 -0.55 8.28 8.07 2j42A1 THR 76 HA 0.06 0.28 0.75 -0.75 4.39 4.71 2j42A1 THR 76 HB -0.01 0.00 0.21 -0.04 4.32 4.49 2j42A1 THR 76 HG23 0.02 0.00 -0.05 -0.04 1.22 1.15 2j42A1 GLY 77 H -0.18 0.64 0.53 -0.55 8.43 8.88 2j42A1 GLY 77 HA2 -0.20 0.06 0.68 -0.51 4.01 4.04 2j42A1 GLY 77 HA3 -0.43 0.01 0.29 -0.51 4.01 3.37 2j42A1 GLU 78 H -0.24 0.10 0.16 -0.55 8.60 8.07 2j42A1 GLU 78 HA -0.13 0.12 0.62 -0.75 4.29 4.15 2j42A1 GLU 78 HB2 -0.11 -0.05 0.19 -0.04 2.09 2.07 2j42A1 GLU 78 HB3 -0.07 0.08 -0.01 -0.04 1.99 1.95 2j42A1 GLU 78 HG2 -0.04 0.03 -0.05 -0.04 2.34 2.24 2j42A1 GLU 78 HG3 -0.08 -0.06 -0.05 -0.04 2.34 2.11 2j42A1 TYR 79 H 0.02 0.48 0.32 -0.55 8.29 8.56 2j42A1 TYR 79 HA -0.06 0.15 0.55 -0.75 4.56 4.44 2j42A1 TYR 79 HB2 0.14 0.10 0.02 -0.04 3.06 3.29 2j42A1 TYR 79 HB3 0.28 -0.04 -0.14 -0.04 2.98 3.03 2j42A1 TYR 79 HD2 -0.22 0.03 -0.09 -0.04 7.15 6.83 2j42A1 TYR 79 HE2 -0.32 -0.03 -0.06 -0.04 6.85 6.39 2j42A1 ILE 80 H 0.18 0.16 0.03 -0.55 8.25 8.07 2j42A1 ILE 80 HA -0.02 0.09 0.94 -0.75 4.18 4.43 2j42A1 ILE 80 HB 0.02 -0.12 0.18 -0.04 1.89 1.93 2j42A1 ILE 80 HG12 -0.02 -0.12 -0.47 -0.04 1.49 0.85 2j42A1 ILE 80 HG13 -0.01 0.77 0.16 -0.04 1.21 2.09 2j42A1 ILE 80 HG23 -0.12 0.02 -0.08 -0.04 0.93 0.70 2j42A1 ILE 80 HD13 -0.04 -0.01 -0.04 -0.04 0.88 0.75 2j42A1 LEU 81 H -0.01 0.12 0.05 -0.55 8.37 7.98 2j42A1 LEU 81 HA 0.14 0.27 0.79 -0.75 4.35 4.80 2j42A1 LEU 81 HB2 0.08 -0.08 0.04 -0.04 1.64 1.64 2j42A1 LEU 81 HB3 0.06 0.05 -0.04 -0.04 1.64 1.67 2j42A1 LEU 81 HG 0.15 -0.07 -0.18 -0.04 1.64 1.51 2j42A1 LEU 81 HD13 0.10 0.01 -0.11 -0.04 0.93 0.89 2j42A1 LEU 81 HD23 0.02 0.02 -0.15 -0.04 0.89 0.74 2j42A1 SER 82 H 0.12 0.62 0.39 -0.55 8.46 9.04 2j42A1 SER 82 HA 0.07 0.04 0.54 -0.75 4.49 4.39 2j42A1 SER 82 HB2 0.12 0.08 -0.02 -0.04 3.95 4.08 2j42A1 SER 82 HB3 0.04 0.11 -0.05 -0.04 3.93 3.98 2j42A1 THR 83 H 0.11 0.37 0.11 -0.55 8.28 8.32 2j42A1 THR 83 HA 0.07 0.17 0.86 -0.75 4.39 4.74 2j42A1 THR 83 HB -0.02 0.06 0.22 -0.04 4.32 4.54 2j42A1 THR 83 HG23 0.01 -0.03 -0.29 -0.04 1.22 0.87 2j42A1 ASN 84 H 0.17 0.11 0.18 -0.55 8.53 8.44 2j42A1 ASN 84 HA 0.15 0.01 0.39 -0.75 4.76 4.56 2j42A1 ASN 84 HB2 0.09 -0.03 0.24 -0.04 2.88 3.15 2j42A1 ASN 84 HB3 0.08 0.00 0.09 -0.04 2.79 2.93 2j42A1 ASN 84 HD21 0.13 -0.02 0.02 -0.04 7.03 7.11 2j42A1 ASN 84 HD22 0.08 0.03 0.05 -0.04 7.74 7.86 2j42A1 SER 85 H 0.08 0.02 0.02 -0.55 8.46 8.03 2j42A1 SER 85 HA 0.07 0.28 0.60 -0.75 4.49 4.68 2j42A1 SER 85 HB2 0.05 -0.11 0.04 -0.04 3.95 3.90 2j42A1 SER 85 HB3 0.05 -0.04 0.19 -0.04 3.93 4.08 2j42A1 PRO 86 HA 0.06 -0.11 0.42 -0.51 4.44 4.30 2j42A1 PRO 86 HB2 0.12 0.17 -0.00 -0.04 2.28 2.52 2j42A1 PRO 86 HB3 0.09 -0.03 0.02 -0.04 2.02 2.06 2j42A1 PRO 86 HG2 0.09 0.11 -0.31 -0.04 2.03 1.88 2j42A1 PRO 86 HG3 0.07 -0.00 -0.16 -0.04 2.03 1.90 2j42A1 PRO 86 HD2 0.08 3.53 -0.19 -0.04 3.68 7.06 2j42A1 PRO 86 HD3 0.07 0.36 0.02 -0.04 3.65 4.06 2j42A1 ASN 87 H 0.06 0.02 0.12 -0.55 8.53 8.19 2j42A1 ASN 87 HA 0.07 0.05 0.48 -0.75 4.76 4.61 2j42A1 ASN 87 HB2 0.06 0.00 0.01 -0.04 2.88 2.91 2j42A1 ASN 87 HB3 0.05 -0.01 0.11 -0.04 2.79 2.90 2j42A1 ASN 87 HD21 0.03 -0.06 0.13 -0.04 7.03 7.09 2j42A1 ASN 87 HD22 0.04 0.00 0.08 -0.04 7.74 7.82 2j42A1 CYS 88 H 0.10 0.15 0.39 -0.55 8.50 8.58 2j42A1 CYS 88 HA 0.14 0.13 0.70 -0.75 4.58 4.80 2j42A1 CYS 88 HB2 0.14 0.08 -0.03 -0.04 2.97 3.12 2j42A1 CYS 88 HB3 0.18 0.02 0.01 -0.04 2.97 3.13 2j42A1 ARG 89 H 0.13 0.39 0.28 -0.55 8.46 8.71 2j42A1 ARG 89 HA 0.12 0.62 1.13 -0.75 4.34 5.45 2j42A1 ARG 89 HB2 0.08 0.00 -0.03 -0.04 1.90 1.91 2j42A1 ARG 89 HB3 0.08 -0.08 0.06 -0.04 1.80 1.82 2j42A1 ARG 89 HG2 0.06 -0.20 0.19 -0.04 1.67 1.68 2j42A1 ARG 89 HG3 0.04 0.01 0.11 -0.04 1.67 1.79 2j42A1 ARG 89 HD2 0.04 -0.03 -0.08 -0.04 3.22 3.11 2j42A1 ARG 89 HD3 0.02 0.04 -0.17 -0.04 3.22 3.07 2j42A1 VAL 90 H 0.10 -0.13 0.27 -0.55 8.24 7.94 2j42A1 VAL 90 HA 0.10 0.32 0.85 -0.75 4.13 4.65 2j42A1 VAL 90 HB 0.21 -0.05 -0.10 -0.04 2.12 2.14 2j42A1 VAL 90 HG13 0.11 0.04 -0.01 -0.04 0.97 1.07 2j42A1 VAL 90 HG23 0.18 0.01 -0.57 -0.04 0.95 0.52 2j42A1 GLU 91 H 0.06 0.37 -0.03 -0.55 8.60 8.45 2j42A1 GLU 91 HA -0.00 0.36 0.97 -0.75 4.29 4.87 2j42A1 GLU 91 HB2 0.01 -0.01 -0.00 -0.04 2.09 2.05 2j42A1 GLU 91 HB3 0.00 0.03 0.13 -0.04 1.99 2.11 2j42A1 GLU 91 HG2 -0.01 0.07 -0.11 -0.04 2.34 2.24 2j42A1 GLU 91 HG3 -0.01 -0.04 -0.12 -0.04 2.34 2.13 2j42A1 LEU 92 H 0.03 0.36 -0.15 -0.55 8.37 8.06 2j42A1 LEU 92 HA 0.04 0.27 0.60 -0.75 4.35 4.51 2j42A1 LEU 92 HB2 0.12 -0.04 -0.01 -0.04 1.64 1.66 2j42A1 LEU 92 HB3 0.04 0.04 0.14 -0.04 1.64 1.82 2j42A1 LEU 92 HG 0.08 -0.06 -0.11 -0.04 1.64 1.51 2j42A1 LEU 92 HD13 0.08 -0.01 -0.11 -0.04 0.93 0.86 2j42A1 LEU 92 HD23 0.04 0.04 -0.10 -0.04 0.89 0.83 2j42A1 ASN 93 H 0.02 0.38 -0.39 -0.55 8.53 7.99 2j42A1 ASN 93 HA 0.02 -0.02 0.33 -0.75 4.76 4.33 2j42A1 ASN 93 HB2 0.03 0.19 -0.11 -0.04 2.88 2.94 2j42A1 ASN 93 HB3 0.07 -0.05 0.17 -0.04 2.79 2.94 2j42A1 ASN 93 HD21 0.07 -0.03 0.07 -0.04 7.03 7.10 2j42A1 ASN 93 HD22 0.05 -0.06 0.05 -0.04 7.74 7.75 2j42A1 GLY 94 H -0.02 0.08 -0.06 -0.55 8.43 7.88 2j42A1 GLY 94 HA2 -0.02 -0.03 0.29 -0.51 4.01 3.74 2j42A1 GLY 94 HA3 -0.02 0.25 0.81 -0.51 4.01 4.54 2j42A1 GLU 95 H -0.07 0.13 -0.32 -0.55 8.60 7.79 2j42A1 GLU 95 HA -0.19 0.18 0.99 -0.75 4.29 4.52 2j42A1 GLU 95 HB2 -0.29 -0.01 -0.11 -0.04 2.09 1.65 2j42A1 GLU 95 HB3 -0.60 0.04 0.06 -0.04 1.99 1.44 2j42A1 GLU 95 HG2 -0.09 0.09 -0.49 -0.04 2.34 1.81 2j42A1 GLU 95 HG3 -0.05 0.05 -0.26 -0.04 2.34 2.05 2j42A1 ILE 96 H -0.35 0.15 0.21 -0.55 8.25 7.71 2j42A1 ILE 96 HA -0.10 0.55 1.01 -0.75 4.18 4.88 2j42A1 ILE 96 HB -0.13 -0.03 0.15 -0.04 1.89 1.83 2j42A1 ILE 96 HG12 -0.04 -0.01 -0.01 -0.04 1.49 1.38 2j42A1 ILE 96 HG13 -0.02 -0.03 0.03 -0.04 1.21 1.15 2j42A1 ILE 96 HG23 -0.01 -0.04 -0.11 -0.04 0.93 0.73 2j42A1 ILE 96 HD13 -0.06 0.08 -0.21 -0.04 0.88 0.65 2j42A1 PHE 97 H 0.09 -0.16 0.36 -0.55 8.34 8.07 2j42A1 PHE 97 HA 0.04 0.11 0.57 -0.75 4.62 4.58 2j42A1 PHE 97 HB2 0.05 -0.00 -0.16 -0.04 3.15 2.99 2j42A1 PHE 97 HB3 0.06 -0.14 0.19 -0.04 3.06 3.13 2j42A1 PHE 97 HD2 0.04 -0.04 0.02 -0.04 7.28 7.26 2j42A1 PHE 97 HE2 0.03 0.16 0.02 -0.04 7.38 7.55 2j42A1 PHE 97 HZ 0.02 0.08 -0.12 -0.04 7.32 7.26 2j42A1 ASN 98 H 0.22 0.21 0.10 -0.55 8.53 8.51 2j42A1 ASN 98 HA 0.10 0.09 0.28 -0.75 4.76 4.48 2j42A1 ASN 98 HB2 0.15 -0.15 -0.78 -0.04 2.88 2.07 2j42A1 ASN 98 HB3 0.13 0.08 -0.01 -0.04 2.79 2.95 2j42A1 ASN 98 HD21 0.08 0.01 -0.24 -0.04 7.03 6.84 2j42A1 ASN 98 HD22 0.14 0.05 -0.31 -0.04 7.74 7.58 2j42A1 LEU 99 H 0.11 1.00 0.42 -0.55 8.37 9.35 2j42A1 LEU 99 HA 0.09 -0.18 0.53 -0.75 4.35 4.04 2j42A1 LEU 99 HB2 0.08 -0.37 0.35 -0.04 1.64 1.66 2j42A1 LEU 99 HB3 0.07 -0.04 0.12 -0.04 1.64 1.75 2j42A1 LEU 99 HG 0.08 -0.05 -0.07 -0.04 1.64 1.57 2j42A1 LEU 99 HD13 0.10 0.05 0.05 -0.04 0.93 1.09 2j42A1 LEU 99 HD23 0.14 -0.04 -0.47 -0.04 0.89 0.48 2j42A1 SER 100 H 0.07 -0.23 0.47 -0.55 8.46 8.22 2j42A1 SER 100 HA 0.07 0.28 0.47 -0.75 4.49 4.55 2j42A1 SER 100 HB2 0.05 -0.16 -0.06 -0.04 3.95 3.74 2j42A1 SER 100 HB3 0.05 0.11 0.18 -0.04 3.93 4.24 2j42A1 LEU 101 H 0.05 -0.17 0.28 -0.55 8.37 7.98 2j42A1 LEU 101 HA 0.03 0.02 0.42 -0.75 4.35 4.06 2j42A1 LEU 101 HB2 0.05 0.01 0.22 -0.04 1.64 1.88 2j42A1 LEU 101 HB3 0.03 -0.07 0.03 -0.04 1.64 1.58 2j42A1 LEU 101 HG 0.04 0.05 0.10 -0.04 1.64 1.79 2j42A1 LEU 101 HD13 0.03 -0.03 0.08 -0.04 0.93 0.98 2j42A1 LEU 101 HD23 0.02 -0.04 0.16 -0.04 0.89 0.98 2j42A1 ASN 102 H 0.01 0.04 0.21 -0.55 8.53 8.24 2j42A1 ASN 102 HA -0.00 0.25 0.64 -0.75 4.76 4.89 2j42A1 ASN 102 HB2 -0.00 0.06 0.08 -0.04 2.88 2.98 2j42A1 ASN 102 HB3 -0.00 -0.08 0.10 -0.04 2.79 2.77 2j42A1 ASN 102 HD21 -0.01 -0.00 -0.01 -0.04 7.03 6.97 2j42A1 ASN 102 HD22 -0.01 -0.05 -0.01 -0.04 7.74 7.64 2j42A1 THR 103 H 0.00 -0.12 -0.05 -0.55 8.28 7.56 2j42A1 THR 103 HA -0.02 0.20 0.74 -0.75 4.39 4.56 2j42A1 THR 103 HB 0.01 -0.14 0.18 -0.04 4.32 4.33 2j42A1 THR 103 HG23 0.01 0.06 -0.01 -0.04 1.22 1.23 2j42A1 SER 104 H 0.00 -0.07 0.04 -0.55 8.46 7.89 2j42A1 SER 104 HA -0.04 -0.01 0.34 -0.75 4.49 4.03 2j42A1 SER 104 HB2 -0.19 0.41 -0.21 -0.04 3.95 3.91 2j42A1 SER 104 HB3 -0.60 -0.23 0.20 -0.04 3.93 3.26 2j42A1 ASN 105 H -0.12 0.17 0.18 -0.55 8.53 8.21 2j42A1 ASN 105 HA 0.11 0.18 0.83 -0.75 4.76 5.13 2j42A1 ASN 105 HB2 0.28 -0.07 0.02 -0.04 2.88 3.07 2j42A1 ASN 105 HB3 0.60 0.08 0.11 -0.04 2.79 3.54 2j42A1 ASN 105 HD21 0.06 -0.03 0.04 -0.04 7.03 7.06 2j42A1 ASN 105 HD22 0.06 -0.01 0.05 -0.04 7.74 7.80 2j42A1 THR 106 H -0.22 -0.02 -0.06 -0.55 8.28 7.44 2j42A1 THR 106 HA -0.07 0.11 0.33 -0.75 4.39 4.00 2j42A1 THR 106 HB 0.02 -0.15 0.05 -0.04 4.32 4.19 2j42A1 THR 106 HG23 -0.02 0.01 -0.22 -0.04 1.22 0.94 2j42A1 VAL 107 H 0.07 0.17 0.09 -0.55 8.24 8.01 2j42A1 VAL 107 HA 0.10 0.00 0.43 -0.75 4.13 3.91 2j42A1 VAL 107 HB 0.34 0.19 -0.03 -0.04 2.12 2.57 2j42A1 VAL 107 HG13 0.17 0.01 -0.12 -0.04 0.97 0.98 2j42A1 VAL 107 HG23 0.04 0.04 -0.02 -0.04 0.95 0.97 2j42A1 ASN 108 H 0.02 0.14 0.14 -0.55 8.53 8.28 2j42A1 ASN 108 HA -0.01 0.06 0.60 -0.75 4.76 4.65 2j42A1 ASN 108 HB2 -0.00 -0.03 0.06 -0.04 2.88 2.86 2j42A1 ASN 108 HB3 0.00 0.02 0.13 -0.04 2.79 2.90 2j42A1 ASN 108 HD21 0.00 -0.02 -0.13 -0.04 7.03 6.84 2j42A1 ASN 108 HD22 -0.02 -0.03 -0.08 -0.04 7.74 7.56 2j42A1 LEU 109 H 0.03 0.45 0.37 -0.55 8.37 8.67 2j42A1 LEU 109 HA 0.01 0.17 0.79 -0.75 4.35 4.56 2j42A1 LEU 109 HB2 0.83 -0.01 0.12 -0.04 1.64 2.54 2j42A1 LEU 109 HB3 0.46 0.02 -0.00 -0.04 1.64 2.08 2j42A1 LEU 109 HG -0.26 0.20 -0.10 -0.04 1.64 1.43 2j42A1 LEU 109 HD13 0.25 0.02 -0.18 -0.04 0.93 0.99 2j42A1 LEU 109 HD23 0.14 0.00 -0.08 -0.04 0.89 0.92 2j42A1 ILE 110 H 0.41 0.28 0.12 -0.55 8.25 8.50 2j42A1 ILE 110 HA 0.14 0.06 1.01 -0.75 4.18 4.63 2j42A1 ILE 110 HB 0.16 0.05 -0.04 -0.04 1.89 2.02 2j42A1 ILE 110 HG12 0.07 -0.00 -0.08 -0.04 1.49 1.43 2j42A1 ILE 110 HG13 0.11 -0.10 -0.55 -0.04 1.21 0.63 2j42A1 ILE 110 HG23 0.07 0.05 0.02 -0.04 0.93 1.03 2j42A1 ILE 110 HD13 0.14 0.02 -0.09 -0.04 0.88 0.91 2j42A1 GLN 111 H 0.09 0.01 0.02 -0.55 8.47 8.05 2j42A1 GLN 111 HA 0.11 0.17 0.18 -0.75 4.36 4.07 2j42A1 GLN 111 HB2 0.08 -0.21 -0.22 -0.04 2.15 1.76 2j42A1 GLN 111 HB3 0.05 0.01 -0.04 -0.04 2.02 2.00 2j42A1 GLN 111 HG2 0.08 -0.15 -0.33 -0.04 2.40 1.96 2j42A1 GLN 111 HG3 0.05 0.10 -0.20 -0.04 2.39 2.30 2j42A1 GLN 111 HE21 0.02 0.00 0.01 -0.04 6.97 6.96 2j42A1 GLN 111 HE22 0.05 0.22 0.10 -0.04 7.69 8.02 2j42A1 GLY 112 H 0.04 0.33 0.06 -0.55 8.43 8.31 2j42A1 GLY 112 HA2 -0.01 0.04 0.29 -0.51 4.01 3.82 2j42A1 GLY 112 HA3 0.00 0.09 0.62 -0.51 4.01 4.21 2j42A1 ASN 113 H 0.02 0.31 -0.34 -0.55 8.53 7.97 2j42A1 ASN 113 HA -0.16 0.11 0.93 -0.75 4.76 4.88 2j42A1 ASN 113 HB2 0.03 -0.00 0.04 -0.04 2.88 2.91 2j42A1 ASN 113 HB3 -0.41 0.07 0.01 -0.04 2.79 2.42 2j42A1 ASN 113 HD21 -0.01 -0.05 -0.10 -0.04 7.03 6.83 2j42A1 ASN 113 HD22 -0.08 0.05 -0.01 -0.04 7.74 7.66 2j42A1 VAL 114 H -0.31 0.08 0.21 -0.55 8.24 7.67 2j42A1 VAL 114 HA -0.18 0.71 1.09 -0.75 4.13 4.99 2j42A1 VAL 114 HB -0.15 -0.10 0.08 -0.04 2.12 1.91 2j42A1 VAL 114 HG13 -0.06 -0.12 -0.08 -0.04 0.97 0.67 2j42A1 VAL 114 HG23 -0.08 0.04 -0.14 -0.04 0.95 0.73 2j42A1 TYR 115 H 0.04 0.15 0.26 -0.55 8.29 8.19 2j42A1 TYR 115 HA 0.01 0.09 0.93 -0.75 4.56 4.83 2j42A1 TYR 115 HB2 0.03 -0.03 0.03 -0.04 3.06 3.05 2j42A1 TYR 115 HB3 0.03 0.05 -0.06 -0.04 2.98 2.96 2j42A1 TYR 115 HD2 0.04 0.02 -0.05 -0.04 7.15 7.13 2j42A1 TYR 115 HE2 0.07 -0.04 -0.00 -0.04 6.85 6.84 2j42A1 ASP 116 H 0.05 0.07 0.12 -0.55 8.40 8.09 2j42A1 ASP 116 HA 0.02 0.18 0.54 -0.75 4.63 4.61 2j42A1 ASP 116 HB2 -0.01 -0.04 0.15 -0.04 2.71 2.77 2j42A1 ASP 116 HB3 0.02 -0.07 0.20 -0.04 2.70 2.82 2j42A1 ILE 117 H 0.03 0.67 0.42 -0.55 8.25 8.82 2j42A1 ILE 117 HA 0.05 0.25 0.89 -0.75 4.18 4.61 2j42A1 ILE 117 HB 0.05 -0.06 0.07 -0.04 1.89 1.91 2j42A1 ILE 117 HG12 0.05 0.26 -0.20 -0.04 1.49 1.55 2j42A1 ILE 117 HG13 0.03 0.05 -0.57 -0.04 1.21 0.67 2j42A1 ILE 117 HG23 0.05 0.00 0.02 -0.04 0.93 0.96 2j42A1 ILE 117 HD13 -0.02 0.03 -0.22 -0.04 0.88 0.63 2j42A1 ARG 118 H 0.07 0.24 0.16 -0.55 8.46 8.37 2j42A1 ARG 118 HA 0.05 0.09 0.33 -0.75 4.34 4.05 2j42A1 ARG 118 HB2 0.00 0.52 0.34 -0.04 1.90 2.72 2j42A1 ARG 118 HB3 0.02 -0.20 -0.09 -0.04 1.80 1.49 2j42A1 ARG 118 HG2 -0.05 -0.12 -0.04 -0.04 1.67 1.42 2j42A1 ARG 118 HG3 -0.06 0.03 0.03 -0.04 1.67 1.62 2j42A1 ARG 118 HD2 -0.06 0.07 0.02 -0.04 3.22 3.22 2j42A1 ARG 118 HD3 -0.03 -0.07 -0.05 -0.04 3.22 3.03 2j42A1 ILE 119 H 0.07 0.09 -0.04 -0.55 8.25 7.83 2j42A1 ILE 119 HA 0.16 0.32 0.77 -0.75 4.18 4.67 2j42A1 ILE 119 HB 0.54 -0.08 0.11 -0.04 1.89 2.43 2j42A1 ILE 119 HG12 0.15 0.01 0.12 -0.04 1.49 1.73 2j42A1 ILE 119 HG13 0.15 0.23 -0.29 -0.04 1.21 1.25 2j42A1 ILE 119 HG23 0.53 0.00 -0.09 -0.04 0.93 1.33 2j42A1 ILE 119 HD13 0.06 -0.01 -0.10 -0.04 0.88 0.79 2j42A1 GLU 120 H 0.09 0.13 0.12 -0.55 8.60 8.39 2j42A1 GLU 120 HA 0.02 0.19 0.71 -0.75 4.29 4.45 2j42A1 GLU 120 HB2 0.10 -0.10 0.14 -0.04 2.09 2.19 2j42A1 GLU 120 HB3 0.20 0.05 -0.02 -0.04 1.99 2.18 2j42A1 GLU 120 HG2 0.16 0.06 0.07 -0.04 2.34 2.59 2j42A1 GLU 120 HG3 -0.07 -0.04 0.01 -0.04 2.34 2.20 2j42A1 GLN 121 H 0.22 0.38 0.42 -0.55 8.47 8.94 2j42A1 GLN 121 HA 0.15 0.31 0.91 -0.75 4.36 4.98 2j42A1 GLN 121 HB2 0.28 0.09 -0.13 -0.04 2.15 2.35 2j42A1 GLN 121 HB3 0.08 -0.11 0.10 -0.04 2.02 2.05 2j42A1 GLN 121 HG2 0.13 -0.07 -0.10 -0.04 2.40 2.31 2j42A1 GLN 121 HG3 0.18 0.10 0.06 -0.04 2.39 2.68 2j42A1 GLN 121 HE21 0.37 -0.00 -0.20 -0.04 6.97 7.09 2j42A1 GLN 121 HE22 0.20 -0.02 -0.34 -0.04 7.69 7.49 2j42A1 LEU 122 H 0.07 0.41 0.11 -0.55 8.37 8.41 2j42A1 LEU 122 HA -0.12 0.15 0.70 -0.75 4.35 4.33 2j42A1 LEU 122 HB2 -0.03 -0.00 -0.28 -0.04 1.64 1.29 2j42A1 LEU 122 HB3 0.00 -0.07 0.14 -0.04 1.64 1.68 2j42A1 LEU 122 HG -0.34 0.18 0.06 -0.04 1.64 1.50 2j42A1 LEU 122 HD13 0.06 -0.02 0.03 -0.04 0.93 0.97 2j42A1 LEU 122 HD23 0.02 -0.04 0.01 -0.04 0.89 0.83 2j42A1 MET 123 H -0.02 0.39 0.09 -0.55 8.47 8.39 2j42A1 MET 123 HA -0.00 0.01 0.85 -0.75 4.52 4.63 2j42A1 MET 123 HB2 0.02 0.23 0.15 -0.04 2.15 2.51 2j42A1 MET 123 HB3 0.02 -0.05 0.04 -0.04 2.03 1.99 2j42A1 MET 123 HG2 0.06 -0.11 -0.05 -0.04 2.63 2.49 2j42A1 MET 123 HG3 0.09 0.12 0.04 -0.04 2.56 2.77 2j42A1 MET 123 HE3 0.04 -0.01 0.04 -0.04 2.10 2.12 2j42A1 SER 124 H -0.03 0.09 0.19 -0.55 8.46 8.17 2j42A1 SER 124 HA -0.11 0.17 0.60 -0.75 4.49 4.40 2j42A1 SER 124 HB2 -0.02 -0.02 0.18 -0.04 3.95 4.05 2j42A1 SER 124 HB3 -0.02 -0.01 -0.02 -0.04 3.93 3.84 2j42A1 GLU 125 H -0.01 0.06 0.06 -0.55 8.60 8.16 2j42A1 GLU 125 HA -0.01 0.20 0.90 -0.75 4.29 4.62 2j42A1 GLU 125 HB2 0.00 -0.03 0.18 -0.04 2.09 2.21 2j42A1 GLU 125 HB3 0.00 0.02 -0.01 -0.04 1.99 1.96 2j42A1 GLU 125 HG2 -0.00 0.08 -0.08 -0.04 2.34 2.30 2j42A1 GLU 125 HG3 0.00 -0.06 -0.03 -0.04 2.34 2.21 2j42A1 ASN 126 H -0.01 0.27 0.03 -0.55 8.53 8.28 2j42A1 ASN 126 HA 0.01 0.11 0.60 -0.75 4.76 4.73 2j42A1 ASN 126 HB2 -0.00 -0.04 0.15 -0.04 2.88 2.94 2j42A1 ASN 126 HB3 0.00 0.01 0.02 -0.04 2.79 2.79 2j42A1 ASN 126 HD21 -0.02 0.21 -0.18 -0.04 7.03 7.00 2j42A1 ASN 126 HD22 -0.01 -0.38 -0.78 -0.04 7.74 6.54 2j42A1 GLN 127 H 0.01 0.40 -0.01 -0.55 8.47 8.32 2j42A1 GLN 127 HA 0.01 0.06 0.33 -0.75 4.36 4.00 2j42A1 GLN 127 HB2 0.01 0.01 0.04 -0.04 2.15 2.17 2j42A1 GLN 127 HB3 0.01 -0.00 0.07 -0.04 2.02 2.05 2j42A1 GLN 127 HG2 0.01 0.10 0.03 -0.04 2.40 2.49 2j42A1 GLN 127 HG3 0.01 -0.00 0.02 -0.04 2.39 2.37 2j42A1 GLN 127 HE21 0.00 0.00 -0.06 -0.04 6.97 6.88 2j42A1 GLN 127 HE22 0.00 0.01 0.02 -0.04 7.69 7.68 2j42A1 LEU 128 H 0.02 0.04 -0.45 -0.55 8.37 7.43 2j42A1 LEU 128 HA 0.02 0.13 0.69 -0.75 4.35 4.44 2j42A1 LEU 128 HB2 0.04 -0.02 0.12 -0.04 1.64 1.74 2j42A1 LEU 128 HB3 0.06 -0.01 -0.00 -0.04 1.64 1.65 2j42A1 LEU 128 HG 0.02 0.04 -0.11 -0.04 1.64 1.55 2j42A1 LEU 128 HD13 0.03 -0.01 -0.02 -0.04 0.93 0.90 2j42A1 LEU 128 HD23 0.02 -0.01 -0.03 -0.04 0.89 0.83 2j42A1 LEU 129 H 0.01 0.21 0.13 -0.55 8.37 8.17 2j42A1 LEU 129 HA -0.01 0.03 0.40 -0.75 4.35 4.02 2j42A1 LEU 129 HB2 0.00 -0.00 0.08 -0.04 1.64 1.68 2j42A1 LEU 129 HB3 -0.01 0.01 0.07 -0.04 1.64 1.67 2j42A1 LEU 129 HG 0.00 0.08 0.09 -0.04 1.64 1.78 2j42A1 LEU 129 HD13 -0.00 -0.00 0.04 -0.04 0.93 0.92 2j42A1 LEU 129 HD23 -0.01 0.00 0.04 -0.04 0.89 0.89 2j42A1 LYS 130 H -0.04 0.11 0.16 -0.55 8.42 8.09 2j42A1 LYS 130 HA -0.10 0.02 0.23 -0.75 4.32 3.72 2j42A1 LYS 130 HB2 -0.02 -0.03 -0.50 -0.04 1.87 1.28 2j42A1 LYS 130 HB3 -0.08 -0.03 0.18 -0.04 1.79 1.82 2j42A1 LYS 130 HG2 -0.13 0.07 0.07 -0.04 1.46 1.43 2j42A1 LYS 130 HG3 -0.07 -0.02 0.03 -0.04 1.46 1.36 2j42A1 LYS 130 HD2 -0.02 -0.05 -0.07 -0.04 1.69 1.51 2j42A1 LYS 130 HD3 -0.07 0.04 -0.01 -0.04 1.68 1.60 2j42A1 LYS 130 HE2 -0.06 0.08 -0.02 -0.04 2.99 2.95 2j42A1 LYS 130 HE3 -0.04 -0.05 -0.03 -0.04 2.99 2.84 2j42A1 ASN 131 H -0.03 0.05 -0.38 -0.55 8.53 7.63 2j42A1 ASN 131 HA 0.04 -0.12 0.23 -0.75 4.76 4.15 2j42A1 ASN 131 HB2 -0.01 -0.05 0.13 -0.04 2.88 2.91 2j42A1 ASN 131 HB3 -0.03 -0.00 0.08 -0.04 2.79 2.80 2j42A1 ASN 131 HD21 0.06 -0.05 -0.03 -0.04 7.03 6.96 2j42A1 ASN 131 HD22 0.04 0.06 -0.14 -0.04 7.74 7.66 2j42A1 TYR 132 H 0.21 0.05 0.08 -0.55 8.29 8.08 2j42A1 TYR 132 HA -0.09 0.25 0.55 -0.75 4.56 4.51 2j42A1 TYR 132 HB2 -0.02 -0.01 0.08 -0.04 3.06 3.07 2j42A1 TYR 132 HB3 -0.01 -0.07 -0.09 -0.04 2.98 2.78 2j42A1 TYR 132 HD2 -0.03 0.04 -0.01 -0.04 7.15 7.11 2j42A1 TYR 132 HE2 -0.03 0.04 0.04 -0.04 6.85 6.86 2j42A1 GLU 133 H 0.10 0.02 -0.18 -0.55 8.60 8.00 2j42A1 GLU 133 HA 0.11 0.02 0.24 -0.75 4.29 3.91 2j42A1 GLU 133 HB2 0.11 0.20 0.13 -0.04 2.09 2.49 2j42A1 GLU 133 HB3 0.21 -0.02 -0.06 -0.04 1.99 2.08 2j42A1 GLU 133 HG2 0.10 0.04 -0.22 -0.04 2.34 2.22 2j42A1 GLU 133 HG3 0.02 -0.05 -0.54 -0.04 2.34 1.74 2j42A1 GLY 134 H 0.14 0.99 -0.54 -0.55 8.43 8.46 2j42A1 GLY 134 HA2 0.09 -0.01 0.17 -0.51 4.01 3.75 2j42A1 GLY 134 HA3 0.09 -0.07 0.14 -0.51 4.01 3.66 2j42A1 ILE 135 H 0.06 0.19 -0.30 -0.55 8.25 7.65 2j42A1 ILE 135 HA 0.01 0.05 0.56 -0.75 4.18 4.04 2j42A1 ILE 135 HB 0.14 0.03 -0.04 -0.04 1.89 1.99 2j42A1 ILE 135 HG12 -0.57 -0.04 -0.22 -0.04 1.49 0.62 2j42A1 ILE 135 HG13 -0.18 0.03 -0.37 -0.04 1.21 0.65 2j42A1 ILE 135 HG23 -0.10 -0.04 0.01 -0.04 0.93 0.77 2j42A1 ILE 135 HD13 0.14 0.01 -0.12 -0.04 0.88 0.87 2j42A1 LYS 136 H -0.10 0.13 0.25 -0.55 8.42 8.15 2j42A1 LYS 136 HA -0.28 0.22 1.04 -0.75 4.32 4.54 2j42A1 LYS 136 HB2 -0.14 -0.08 0.13 -0.04 1.87 1.74 2j42A1 LYS 136 HB3 -0.58 -0.01 -0.06 -0.04 1.79 1.10 2j42A1 LYS 136 HG2 -0.12 -0.02 -0.09 -0.04 1.46 1.19 2j42A1 LYS 136 HG3 -0.06 0.08 -0.39 -0.04 1.46 1.05 2j42A1 LYS 136 HD2 0.03 0.02 -0.07 -0.04 1.69 1.63 2j42A1 LYS 136 HD3 0.11 -0.03 -0.04 -0.04 1.68 1.68 2j42A1 LYS 136 HE2 0.07 -0.02 -0.07 -0.04 2.99 2.93 2j42A1 LYS 136 HE3 0.01 -0.01 -0.07 -0.04 2.99 2.88 2j42A1 LEU 137 H -0.41 0.55 0.27 -0.55 8.37 8.24 2j42A1 LEU 137 HA -0.30 0.38 1.19 -0.75 4.35 4.87 2j42A1 LEU 137 HB2 -0.22 0.00 -0.08 -0.04 1.64 1.31 2j42A1 LEU 137 HB3 -0.29 0.05 0.22 -0.04 1.64 1.58 2j42A1 LEU 137 HG -0.16 0.00 -0.32 -0.04 1.64 1.11 2j42A1 LEU 137 HD13 -0.05 0.01 -0.09 -0.04 0.93 0.77 2j42A1 LEU 137 HD23 -0.23 -0.02 -0.06 -0.04 0.89 0.55 2j42A1 TYR 138 H -0.03 0.62 0.29 -0.55 8.29 8.63 2j42A1 TYR 138 HA 0.08 0.12 0.95 -0.75 4.56 4.96 2j42A1 TYR 138 HB2 0.09 0.05 -0.17 -0.04 3.06 3.00 2j42A1 TYR 138 HB3 0.12 -0.08 -0.19 -0.04 2.98 2.78 2j42A1 TYR 138 HD2 0.04 0.01 -0.25 -0.04 7.15 6.90 2j42A1 TYR 138 HE2 0.01 -0.03 -0.15 -0.04 6.85 6.64 2j42A1 TRP 139 H 0.77 0.35 0.22 -0.55 7.97 8.77 2j42A1 TRP 139 HA 0.06 0.60 0.98 -0.75 4.62 5.51 2j42A1 TRP 139 HB2 0.04 -0.08 -0.14 -0.04 3.23 3.01 2j42A1 TRP 139 HB3 -0.01 0.01 -0.23 -0.04 3.23 2.96 2j42A1 TRP 139 HD1 0.05 0.10 0.31 -0.04 7.22 7.64 2j42A1 TRP 139 HE1 0.01 0.03 -0.06 -0.04 10.20 10.13 2j42A1 TRP 139 HE3 -0.54 0.01 -0.14 -0.04 7.59 6.87 2j42A1 TRP 139 HZ2 -0.05 -0.00 -0.02 -0.04 7.44 7.33 2j42A1 TRP 139 HZ3 -1.09 0.01 -0.09 -0.04 7.13 5.92 2j42A1 TRP 139 HH2 -0.20 -0.04 -0.06 -0.04 7.19 6.85 2j42A1 GLU 140 H 0.13 0.41 0.26 -0.55 8.60 8.85 2j42A1 GLU 140 HA -0.07 0.33 1.12 -0.75 4.29 4.92 2j42A1 GLU 140 HB2 0.02 -0.10 -0.09 -0.04 2.09 1.87 2j42A1 GLU 140 HB3 0.00 -0.02 0.12 -0.04 1.99 2.05 2j42A1 GLU 140 HG2 -0.05 0.37 -0.26 -0.04 2.34 2.36 2j42A1 GLU 140 HG3 -0.04 -0.04 -0.35 -0.04 2.34 1.87 2j42A1 THR 141 H -0.17 0.18 0.14 -0.55 8.28 7.88 2j42A1 THR 141 HA -0.16 0.44 0.68 -0.75 4.39 4.59 2j42A1 THR 141 HB -0.30 0.01 -0.01 -0.04 4.32 3.97 2j42A1 THR 141 HG23 -0.18 -0.00 0.03 -0.04 1.22 1.02 2j42A1 SER 142 H -0.17 0.02 0.16 -0.55 8.46 7.92 2j42A1 SER 142 HA -0.08 0.09 0.38 -0.75 4.49 4.13 2j42A1 SER 142 HB2 -0.07 -0.00 0.02 -0.04 3.95 3.85 2j42A1 SER 142 HB3 -0.08 0.01 0.14 -0.04 3.93 3.96 2j42A1 ASP 143 H -0.09 -0.02 -0.06 -0.55 8.40 7.69 2j42A1 ASP 143 HA -0.05 0.06 0.45 -0.75 4.63 4.34 2j42A1 ASP 143 HB2 -0.07 -0.00 0.07 -0.04 2.71 2.66 2j42A1 ASP 143 HB3 -0.05 0.00 0.04 -0.04 2.70 2.65 2j42A1 ILE 144 H -0.04 0.09 0.13 -0.55 8.25 7.88 2j42A1 ILE 144 HA -0.04 0.21 0.26 -0.75 4.18 3.86 2j42A1 ILE 144 HB -0.03 -0.04 0.08 -0.04 1.89 1.86 2j42A1 ILE 144 HG12 -0.03 0.07 0.11 -0.04 1.49 1.60 2j42A1 ILE 144 HG13 -0.03 -0.05 0.09 -0.04 1.21 1.19 2j42A1 ILE 144 HG23 -0.03 0.00 0.11 -0.04 0.93 0.98 2j42A1 ILE 144 HD13 -0.02 0.00 0.04 -0.04 0.88 0.85 2j42A1 ILE 145 H -0.05 0.11 -1.28 -0.55 8.25 6.48 2j42A1 ILE 145 HA -0.02 0.02 0.42 -0.75 4.18 3.84 2j42A1 ILE 145 HB -0.07 -0.03 0.06 -0.04 1.89 1.80 2j42A1 ILE 145 HG12 -0.02 0.04 -0.05 -0.04 1.49 1.43 2j42A1 ILE 145 HG13 -0.03 -0.07 -0.12 -0.04 1.21 0.95 2j42A1 ILE 145 HG23 -0.04 0.01 -0.21 -0.04 0.93 0.65 2j42A1 ILE 145 HD13 -0.04 -0.01 -0.03 -0.04 0.88 0.75 2j42A1 LYS 146 H -0.01 0.19 0.26 -0.55 8.42 8.31 2j42A1 LYS 146 HA 0.04 0.23 0.86 -0.75 4.32 4.70 2j42A1 LYS 146 HB2 -0.03 0.09 -0.01 -0.04 1.87 1.87 2j42A1 LYS 146 HB3 -0.04 -0.05 -0.01 -0.04 1.79 1.65 2j42A1 LYS 146 HG2 0.02 -0.08 -0.10 -0.04 1.46 1.26 2j42A1 LYS 146 HG3 -0.01 0.05 -0.14 -0.04 1.46 1.33 2j42A1 LYS 146 HD2 -0.11 -0.00 -0.07 -0.04 1.69 1.48 2j42A1 LYS 146 HD3 -0.27 -0.05 -0.12 -0.04 1.68 1.19 2j42A1 LYS 146 HE2 -0.04 0.05 -0.12 -0.04 2.99 2.84 2j42A1 LYS 146 HE3 -0.11 -0.00 -0.08 -0.04 2.99 2.76 2j42A1 GLU 147 H 0.24 0.28 0.15 -0.55 8.60 8.72 2j42A1 GLU 147 HA 0.18 0.01 0.38 -0.75 4.29 4.11 2j42A1 GLU 147 HB2 0.12 -0.03 0.14 -0.04 2.09 2.28 2j42A1 GLU 147 HB3 0.11 0.07 -0.45 -0.04 1.99 1.68 2j42A1 GLU 147 HG2 0.31 -0.04 -0.23 -0.04 2.34 2.34 2j42A1 GLU 147 HG3 0.21 0.25 -0.42 -0.04 2.34 2.35 2j42A1 ILE 148 H 0.20 0.10 0.09 -0.55 8.25 8.09 2j42A1 ILE 148 HA 0.05 0.18 0.52 -0.75 4.18 4.17 2j42A1 ILE 148 HB 0.04 -0.03 0.08 -0.04 1.89 1.94 2j42A1 ILE 148 HG12 -0.20 0.05 -0.15 -0.04 1.49 1.15 2j42A1 ILE 148 HG13 0.18 -0.04 -0.00 -0.04 1.21 1.30 2j42A1 ILE 148 HG23 -0.12 0.07 -0.15 -0.04 0.93 0.69 2j42A1 ILE 148 HD13 -0.05 -0.00 -0.11 -0.04 0.88 0.67 2j42A1 ILE 149 H -0.22 0.35 0.34 -0.55 8.25 8.17 2j42A1 ILE 149 HA -0.35 0.08 0.35 -0.75 4.18 3.51 2j42A1 ILE 149 HB -0.43 -0.03 0.12 -0.04 1.89 1.51 2j42A1 ILE 149 HG12 -2.59 0.00 -0.02 -0.04 1.49 -1.15 2j42A1 ILE 149 HG13 -1.24 -0.03 0.03 -0.04 1.21 -0.07 2j42A1 ILE 149 HG23 -0.49 -0.01 -0.27 -0.04 0.93 0.12 2j42A1 ILE 149 HD13 -0.60 0.01 -0.12 -0.04 0.88 0.12 2j42A1 PRO 150 HA -0.01 0.08 0.57 -0.51 4.44 4.57 2j42A1 PRO 150 HB2 0.05 -0.07 0.06 -0.04 2.28 2.28 2j42A1 PRO 150 HB3 0.07 0.08 0.14 -0.04 2.02 2.27 2j42A1 PRO 150 HG2 0.14 -0.04 0.11 -0.04 2.03 2.20 2j42A1 PRO 150 HG3 0.21 0.07 0.06 -0.04 2.03 2.33 2j42A1 PRO 150 HD2 0.18 0.05 0.20 -0.04 3.68 4.07 2j42A1 PRO 150 HD3 0.24 0.27 0.12 -0.04 3.65 4.24 2j42A1 SER 151 H -0.01 0.17 0.20 -0.55 8.46 8.27 2j42A1 SER 151 HA -0.05 0.04 0.50 -0.75 4.49 4.23 2j42A1 SER 151 HB2 0.01 -0.06 0.13 -0.04 3.95 4.00 2j42A1 SER 151 HB3 -0.00 0.36 0.27 -0.04 3.93 4.52 2j42A1 GLU 152 H 0.01 -0.09 -0.94 -0.55 8.60 7.03 2j42A1 GLU 152 HA 0.02 0.27 0.71 -0.75 4.29 4.55 2j42A1 GLU 152 HB2 0.06 -0.03 -0.06 -0.04 2.09 2.01 2j42A1 GLU 152 HB3 0.04 0.04 0.07 -0.04 1.99 2.10 2j42A1 GLU 152 HG2 0.04 0.10 -0.10 -0.04 2.34 2.33 2j42A1 GLU 152 HG3 0.04 -0.18 -0.07 -0.04 2.34 2.10 2j42A1 VAL 153 H -0.04 0.21 -0.02 -0.55 8.24 7.85 2j42A1 VAL 153 HA 0.01 0.40 0.87 -0.75 4.13 4.65 2j42A1 VAL 153 HB -0.04 -0.12 -0.22 -0.04 2.12 1.70 2j42A1 VAL 153 HG13 0.20 0.02 -0.13 -0.04 0.97 1.02 2j42A1 VAL 153 HG23 -0.28 0.00 -0.03 -0.04 0.95 0.60 2j42A1 LEU 154 H -0.10 0.08 -0.02 -0.55 8.37 7.79 2j42A1 LEU 154 HA -0.10 0.12 0.54 -0.75 4.35 4.15 2j42A1 LEU 154 HB2 -0.11 -0.01 -0.03 -0.04 1.64 1.46 2j42A1 LEU 154 HB3 -0.08 -0.01 -0.29 -0.04 1.64 1.23 2j42A1 LEU 154 HG -0.29 -0.08 -0.17 -0.04 1.64 1.06 2j42A1 LEU 154 HD13 -0.19 0.00 -0.32 -0.04 0.93 0.38 2j42A1 LEU 154 HD23 -0.15 0.03 -0.10 -0.04 0.89 0.63 2j42A1 LEU 155 H -0.03 0.33 0.01 -0.55 8.37 8.13 2j42A1 LEU 155 HA 0.02 0.05 0.72 -0.75 4.35 4.40 2j42A1 LEU 155 HB2 0.02 0.02 0.03 -0.04 1.64 1.67 2j42A1 LEU 155 HB3 -0.02 0.08 -0.43 -0.04 1.64 1.23 2j42A1 LEU 155 HG -0.00 -0.26 -0.15 -0.04 1.64 1.18 2j42A1 LEU 155 HD13 0.03 0.10 -0.08 -0.04 0.93 0.93 2j42A1 LEU 155 HD23 -0.04 -0.00 -0.18 -0.04 0.89 0.63 2j42A1 LYS 156 H 0.09 0.08 0.16 -0.55 8.42 8.19 2j42A1 LYS 156 HA 0.07 0.02 0.65 -0.75 4.32 4.31 2j42A1 LYS 156 HB2 0.18 0.01 0.03 -0.04 1.87 2.05 2j42A1 LYS 156 HB3 0.10 0.05 -0.02 -0.04 1.79 1.87 2j42A1 LYS 156 HG2 0.09 0.11 -0.03 -0.04 1.46 1.59 2j42A1 LYS 156 HG3 0.13 -0.10 -0.26 -0.04 1.46 1.19 2j42A1 LYS 156 HD2 0.12 0.01 -0.11 -0.04 1.69 1.67 2j42A1 LYS 156 HD3 -0.12 -0.01 -0.10 -0.04 1.68 1.40 2j42A1 LYS 156 HE2 0.21 0.20 -0.40 -0.04 2.99 2.96 2j42A1 LYS 156 HE3 0.43 -0.02 -0.10 -0.04 2.99 3.25 2j42A1 PRO 157 HA -0.08 0.06 0.55 -0.51 4.44 4.47 2j42A1 PRO 157 HB2 -0.38 0.09 -0.14 -0.04 2.28 1.80 2j42A1 PRO 157 HB3 -0.12 -0.05 -0.03 -0.04 2.02 1.79 2j42A1 PRO 157 HG2 -0.44 0.04 0.04 -0.04 2.03 1.62 2j42A1 PRO 157 HG3 -0.02 0.04 -0.13 -0.04 2.03 1.87 2j42A1 PRO 157 HD2 0.14 0.09 0.24 -0.04 3.68 4.11 2j42A1 PRO 157 HD3 0.05 0.16 0.29 -0.04 3.65 4.10 2j42A1 ASN 158 H -0.04 0.13 0.10 -0.55 8.53 8.17 2j42A1 ASN 158 HA 0.08 0.00 0.32 -0.75 4.76 4.41 2j42A1 ASN 158 HB2 0.02 -0.02 0.15 -0.04 2.88 2.98 2j42A1 ASN 158 HB3 0.03 0.06 0.00 -0.04 2.79 2.85 2j42A1 ASN 158 HD21 0.12 0.28 -0.06 -0.04 7.03 7.33 2j42A1 ASN 158 HD22 0.05 -0.04 0.02 -0.04 7.74 7.73 2j42A1 TYR 159 H 0.24 0.11 0.18 -0.55 8.29 8.27 2j42A1 TYR 159 HA 0.04 0.17 0.58 -0.75 4.56 4.60 2j42A1 TYR 159 HB2 0.15 -0.07 0.04 -0.04 3.06 3.14 2j42A1 TYR 159 HB3 0.10 -0.03 0.06 -0.04 2.98 3.07 2j42A1 TYR 159 HD2 0.03 -0.09 -0.12 -0.04 7.15 6.94 2j42A1 TYR 159 HE2 0.00 -0.08 -0.08 -0.04 6.85 6.66 2j42A1 SER 160 H 0.14 -0.07 -0.23 -0.55 8.46 7.76 2j42A1 SER 160 HA 0.14 -0.03 0.34 -0.75 4.49 4.19 2j42A1 SER 160 HB2 0.10 0.11 -0.01 -0.04 3.95 4.11 2j42A1 SER 160 HB3 0.14 -0.08 0.06 -0.04 3.93 4.00 2j42A1 ASN 161 H 0.09 0.09 0.15 -0.55 8.53 8.31 2j42A1 ASN 161 HA 0.06 -0.02 0.44 -0.75 4.76 4.49 2j42A1 ASN 161 HB2 0.06 0.02 0.12 -0.04 2.88 3.04 2j42A1 ASN 161 HB3 0.06 -0.01 0.08 -0.04 2.79 2.88 2j42A1 ASN 161 HD21 0.04 -0.06 -0.02 -0.04 7.03 6.95 2j42A1 ASN 161 HD22 0.04 -0.03 -0.03 -0.04 7.74 7.68 2j42A1 THR 162 H 0.03 0.08 0.19 -0.55 8.28 8.03 2j42A1 THR 162 HA 0.02 0.05 0.39 -0.75 4.39 4.09 2j42A1 THR 162 HB 0.01 -0.01 0.16 -0.04 4.32 4.43 2j42A1 THR 162 HG23 0.02 0.02 0.11 -0.04 1.22 1.33 2j42A1 ASN 163 H 0.01 0.00 0.10 -0.55 8.53 8.09 2j42A1 ASN 163 HA 0.01 0.23 0.69 -0.75 4.76 4.95 2j42A1 ASN 163 HB2 0.00 -0.12 0.21 -0.04 2.88 2.93 2j42A1 ASN 163 HB3 0.01 0.04 0.08 -0.04 2.79 2.87 2j42A1 ASN 163 HD21 -0.00 -0.02 0.02 -0.04 7.03 6.99 2j42A1 ASN 163 HD22 -0.00 -0.03 0.06 -0.04 7.74 7.73 2j42A1 GLU 164 H 0.00 0.20 0.05 -0.55 8.60 8.31 2j42A1 GLU 164 HA 0.01 0.25 0.57 -0.75 4.29 4.36 2j42A1 GLU 164 HB2 0.00 -0.03 -0.00 -0.04 2.09 2.02 2j42A1 GLU 164 HB3 0.00 -0.01 0.05 -0.04 1.99 2.00 2j42A1 GLU 164 HG2 0.01 0.02 0.00 -0.04 2.34 2.33 2j42A1 GLU 164 HG3 0.01 0.18 -0.45 -0.04 2.34 2.04 2j42A1 ARG 186 HA -0.08 -0.06 0.23 -0.75 4.34 3.67 2j42A1 ARG 186 HB2 -0.04 -0.01 0.05 -0.04 1.90 1.86 2j42A1 ARG 186 HB3 -0.05 0.06 -0.07 -0.04 1.80 1.70 2j42A1 ARG 186 HG2 -0.03 0.04 0.01 -0.04 1.67 1.65 2j42A1 ARG 186 HG3 -0.04 -0.01 0.05 -0.04 1.67 1.63 2j42A1 ARG 186 HD2 -0.02 -0.04 0.04 -0.04 3.22 3.16 2j42A1 ARG 186 HD3 -0.01 0.02 0.02 -0.04 3.22 3.20 2j42A1 ASP 187 H -0.12 0.12 0.08 -0.55 8.40 7.93 2j42A1 ASP 187 HA -0.13 -0.04 0.56 -0.75 4.63 4.27 2j42A1 ASP 187 HB2 -0.17 0.06 0.12 -0.04 2.71 2.68 2j42A1 ASP 187 HB3 -0.12 0.02 0.22 -0.04 2.70 2.78 2j42A1 THR 188 H -0.13 0.12 0.40 -0.55 8.28 8.12 2j42A1 THR 188 HA -0.04 0.11 0.56 -0.75 4.39 4.26 2j42A1 THR 188 HB -0.22 -0.05 0.27 -0.04 4.32 4.27 2j42A1 THR 188 HG23 -0.07 0.04 -0.10 -0.04 1.22 1.05 2j42A1 ASP 189 H -0.12 0.19 0.15 -0.55 8.40 8.06 2j42A1 ASP 189 HA 0.01 0.08 0.32 -0.75 4.63 4.29 2j42A1 ASP 189 HB2 0.00 -0.02 -0.28 -0.04 2.71 2.37 2j42A1 ASP 189 HB3 -0.03 0.04 -0.33 -0.04 2.70 2.33 2j42A1 ARG 190 H -0.06 -0.08 -0.82 -0.55 8.46 6.95 2j42A1 ARG 190 HA -0.06 -0.07 0.20 -0.75 4.34 3.66 2j42A1 ARG 190 HB2 -0.01 0.27 -0.59 -0.04 1.90 1.52 2j42A1 ARG 190 HB3 -0.01 -0.04 0.18 -0.04 1.80 1.89 2j42A1 ARG 190 HG2 -0.03 0.14 0.19 -0.04 1.67 1.93 2j42A1 ARG 190 HG3 -0.03 -0.05 0.11 -0.04 1.67 1.66 2j42A1 ARG 190 HD2 -0.06 -0.08 0.01 -0.04 3.22 3.04 2j42A1 ARG 190 HD3 -0.07 0.09 0.09 -0.04 3.22 3.29 2j42A1 ASP 191 H -0.06 -0.11 0.06 -0.55 8.40 7.74 2j42A1 ASP 191 HA 0.07 0.25 0.47 -0.75 4.63 4.67 2j42A1 ASP 191 HB2 0.09 -0.01 0.19 -0.04 2.71 2.94 2j42A1 ASP 191 HB3 0.04 0.19 -0.36 -0.04 2.70 2.54 2j42A1 GLY 192 H -0.11 0.02 0.11 -0.55 8.43 7.90 2j42A1 GLY 192 HA2 -0.27 0.02 0.26 -0.51 4.01 3.51 2j42A1 GLY 192 HA3 -0.69 0.19 0.51 -0.51 4.01 3.51 2j42A1 ILE 193 H -0.16 -0.01 -0.05 -0.55 8.25 7.49 2j42A1 ILE 193 HA -0.20 0.24 0.68 -0.75 4.18 4.14 2j42A1 ILE 193 HB -0.14 -0.02 -0.26 -0.04 1.89 1.42 2j42A1 ILE 193 HG12 -0.04 -0.13 -1.08 -0.04 1.49 0.21 2j42A1 ILE 193 HG13 -0.03 -0.07 -0.29 -0.04 1.21 0.78 2j42A1 ILE 193 HG23 -0.21 0.04 -0.07 -0.04 0.93 0.65 2j42A1 ILE 193 HD13 0.10 0.01 -0.19 -0.04 0.88 0.76 2j42A1 PRO 194 HA -0.22 0.12 0.65 -0.51 4.44 4.48 2j42A1 PRO 194 HB2 -0.48 -0.17 0.03 -0.04 2.28 1.62 2j42A1 PRO 194 HB3 -0.36 0.15 0.05 -0.04 2.02 1.81 2j42A1 PRO 194 HG2 -1.76 0.07 0.01 -0.04 2.03 0.31 2j42A1 PRO 194 HG3 -0.67 0.07 -0.10 -0.04 2.03 1.30 2j42A1 PRO 194 HD2 -0.53 0.13 0.15 -0.04 3.68 3.39 2j42A1 PRO 194 HD3 -0.54 0.25 0.08 -0.04 3.65 3.40 2j42A1 ASP 195 H -0.12 0.33 -0.02 -0.55 8.40 8.04 2j42A1 ASP 195 HA -0.08 0.08 0.34 -0.75 4.63 4.22 2j42A1 ASP 195 HB2 -0.08 0.16 0.15 -0.04 2.71 2.89 2j42A1 ASP 195 HB3 -0.06 0.04 -0.02 -0.04 2.70 2.62 2j42A1 GLU 196 H -0.03 0.08 -0.34 -0.55 8.60 7.76 2j42A1 GLU 196 HA 0.10 0.09 0.42 -0.75 4.29 4.13 2j42A1 GLU 196 HB2 0.04 0.02 0.08 -0.04 2.09 2.18 2j42A1 GLU 196 HB3 0.17 0.01 -0.03 -0.04 1.99 2.11 2j42A1 GLU 196 HG2 0.21 0.02 0.00 -0.04 2.34 2.53 2j42A1 GLU 196 HG3 0.10 0.01 0.06 -0.04 2.34 2.47 2j42A1 TRP 197 H 0.18 0.17 -0.29 -0.55 7.97 7.49 2j42A1 TRP 197 HA 0.07 0.20 0.49 -0.75 4.62 4.63 2j42A1 TRP 197 HB2 -0.14 0.07 0.05 -0.04 3.23 3.16 2j42A1 TRP 197 HB3 -0.11 0.06 -0.13 -0.04 3.23 3.01 2j42A1 TRP 197 HD1 0.03 -0.07 -0.29 -0.04 7.22 6.85 2j42A1 TRP 197 HE1 0.04 0.01 -0.03 -0.04 10.20 10.18 2j42A1 TRP 197 HE3 -0.08 0.09 -0.09 -0.04 7.59 7.47 2j42A1 TRP 197 HZ2 0.03 0.01 -0.06 -0.04 7.44 7.38 2j42A1 TRP 197 HZ3 0.05 0.15 -0.10 -0.04 7.13 7.18 2j42A1 TRP 197 HH2 0.02 -0.03 -0.44 -0.04 7.19 6.69 2j42A1 GLU 198 H 0.12 0.30 -0.25 -0.55 8.60 8.22 2j42A1 GLU 198 HA 0.31 0.08 0.38 -0.75 4.29 4.31 2j42A1 GLU 198 HB2 0.02 -0.02 -0.13 -0.04 2.09 1.92 2j42A1 GLU 198 HB3 0.08 0.03 -0.44 -0.04 1.99 1.62 2j42A1 GLU 198 HG2 -0.09 -0.03 -0.25 -0.04 2.34 1.93 2j42A1 GLU 198 HG3 -0.06 -0.08 -0.43 -0.04 2.34 1.73 2j42A1 ILE 199 H 0.13 0.30 -0.30 -0.55 8.25 7.83 2j42A1 ILE 199 HA 0.09 0.19 0.66 -0.75 4.18 4.36 2j42A1 ILE 199 HB 0.08 -0.08 0.23 -0.04 1.89 2.08 2j42A1 ILE 199 HG12 0.05 -0.00 0.02 -0.04 1.49 1.51 2j42A1 ILE 199 HG13 0.04 0.05 0.05 -0.04 1.21 1.31 2j42A1 ILE 199 HG23 0.06 -0.01 -0.06 -0.04 0.93 0.88 2j42A1 ILE 199 HD13 0.03 -0.06 -0.07 -0.04 0.88 0.74 2j42A1 ASN 200 H 0.12 0.36 0.13 -0.55 8.53 8.60 2j42A1 ASN 200 HA 0.05 0.01 0.44 -0.75 4.76 4.51 2j42A1 ASN 200 HB2 0.08 0.08 0.15 -0.04 2.88 3.15 2j42A1 ASN 200 HB3 0.03 -0.09 0.22 -0.04 2.79 2.91 2j42A1 ASN 200 HD21 0.06 -0.05 0.07 -0.04 7.03 7.07 2j42A1 ASN 200 HD22 0.05 0.02 0.00 -0.04 7.74 7.77 2j42A1 GLY 201 H 0.18 -0.04 -1.17 -0.55 8.43 6.85 2j42A1 GLY 201 HA2 0.19 0.24 0.44 -0.51 4.01 4.38 2j42A1 GLY 201 HA3 0.05 -0.05 0.49 -0.51 4.01 3.98 2j42A1 TYR 202 H -0.15 0.48 0.30 -0.55 8.29 8.38 2j42A1 TYR 202 HA -0.23 -0.20 0.70 -0.75 4.56 4.07 2j42A1 TYR 202 HB2 -0.11 0.13 -0.13 -0.04 3.06 2.91 2j42A1 TYR 202 HB3 -0.05 -0.02 -0.13 -0.04 2.98 2.74 2j42A1 TYR 202 HD2 0.18 0.25 -0.21 -0.04 7.15 7.32 2j42A1 TYR 202 HE2 0.15 -0.01 -0.18 -0.04 6.85 6.77 2j42A1 THR 203 H -0.13 0.10 -0.10 -0.55 8.28 7.60 2j42A1 THR 203 HA -0.51 0.25 0.75 -0.75 4.39 4.13 2j42A1 THR 203 HB -0.07 -0.11 -0.07 -0.04 4.32 4.02 2j42A1 THR 203 HG23 0.09 0.03 -0.24 -0.04 1.22 1.06 2j42A1 VAL 204 H -0.28 0.19 0.06 -0.55 8.24 7.66 2j42A1 VAL 204 HA -0.09 -0.12 0.90 -0.75 4.13 4.07 2j42A1 VAL 204 HB -0.00 0.09 0.05 -0.04 2.12 2.22 2j42A1 VAL 204 HG13 0.14 -0.02 -0.32 -0.04 0.97 0.73 2j42A1 VAL 204 HG23 0.05 0.05 0.10 -0.04 0.95 1.10 2j42A1 MET 205 H -0.20 0.00 0.11 -0.55 8.47 7.84 2j42A1 MET 205 HA -0.17 0.23 0.64 -0.75 4.52 4.46 2j42A1 MET 205 HB2 -0.21 0.00 0.07 -0.04 2.15 1.97 2j42A1 MET 205 HB3 -0.60 0.06 0.03 -0.04 2.03 1.49 2j42A1 MET 205 HG2 -0.18 -0.25 0.00 -0.04 2.63 2.15 2j42A1 MET 205 HG3 -0.22 0.11 -0.12 -0.04 2.56 2.28 2j42A1 MET 205 HE3 -1.07 0.02 -0.10 -0.04 2.10 0.90 2j42A1 ASN 206 H -0.07 0.14 0.08 -0.55 8.53 8.14 2j42A1 ASN 206 HA -0.06 0.19 0.41 -0.75 4.76 4.55 2j42A1 ASN 206 HB2 -0.03 -0.04 0.18 -0.04 2.88 2.95 2j42A1 ASN 206 HB3 -0.04 -0.02 0.24 -0.04 2.79 2.93 2j42A1 ASN 206 HD21 -0.02 0.01 0.03 -0.04 7.03 7.01 2j42A1 ASN 206 HD22 -0.02 -0.06 0.06 -0.04 7.74 7.68 2j42A1 GLN 207 H -0.09 1.05 -0.05 -0.55 8.47 8.83 2j42A1 GLN 207 HA -0.15 0.07 0.54 -0.75 4.36 4.07 2j42A1 GLN 207 HB2 -0.12 -0.18 -0.24 -0.04 2.15 1.57 2j42A1 GLN 207 HB3 -0.21 0.01 -0.13 -0.04 2.02 1.65 2j42A1 GLN 207 HG2 -0.14 0.31 -0.24 -0.04 2.40 2.29 2j42A1 GLN 207 HG3 -0.14 0.00 -0.08 -0.04 2.39 2.13 2j42A1 GLN 207 HE21 -0.33 0.01 0.09 -0.04 6.97 6.69 2j42A1 GLN 207 HE22 -0.17 0.15 0.17 -0.04 7.69 7.79 2j42A1 LYS 208 H -0.09 -0.07 0.12 -0.55 8.42 7.82 2j42A1 LYS 208 HA -0.02 -0.08 0.62 -0.75 4.32 4.09 2j42A1 LYS 208 HB2 -0.06 -0.04 -0.14 -0.04 1.87 1.60 2j42A1 LYS 208 HB3 0.03 0.57 0.58 -0.04 1.79 2.92 2j42A1 LYS 208 HG2 0.14 0.06 0.07 -0.04 1.46 1.68 2j42A1 LYS 208 HG3 -0.02 -0.00 -0.04 -0.04 1.46 1.36 2j42A1 LYS 208 HD2 0.30 -0.07 -0.07 -0.04 1.69 1.81 2j42A1 LYS 208 HD3 0.08 0.02 0.03 -0.04 1.68 1.76 2j42A1 LYS 208 HE2 0.24 0.30 0.14 -0.04 2.99 3.62 2j42A1 LYS 208 HE3 0.28 0.03 -0.77 -0.04 2.99 2.48 2j42A1 ALA 209 H -0.02 0.69 0.34 -0.55 8.40 8.86 2j42A1 ALA 209 HA -0.15 0.00 0.52 -0.75 4.34 3.96 2j42A1 ALA 209 HB3 -0.02 0.01 0.01 -0.04 1.41 1.37 2j42A1 VAL 210 H -1.05 0.14 0.16 -0.55 8.24 6.93 2j42A1 VAL 210 HA -0.87 0.13 0.53 -0.75 4.13 3.16 2j42A1 VAL 210 HB -1.56 -0.04 0.14 -0.04 2.12 0.63 2j42A1 VAL 210 HG13 -0.22 -0.01 -0.21 -0.04 0.97 0.49 2j42A1 VAL 210 HG23 -0.53 0.00 0.12 -0.04 0.95 0.50 2j42A1 ALA 211 H -0.25 0.44 0.15 -0.55 8.40 8.19 2j42A1 ALA 211 HA -0.19 0.06 0.71 -0.75 4.34 4.17 2j42A1 ALA 211 HB3 -0.10 0.04 -0.05 -0.04 1.41 1.26 2j42A1 TRP 212 H -0.58 0.21 0.04 -0.55 7.97 7.09 2j42A1 TRP 212 HA -0.34 0.18 0.86 -0.75 4.62 4.57 2j42A1 TRP 212 HB2 -0.93 0.07 -0.09 -0.04 3.23 2.24 2j42A1 TRP 212 HB3 -1.82 -0.01 0.13 -0.04 3.23 1.48 2j42A1 TRP 212 HD1 0.04 -0.13 -0.11 -0.04 7.22 6.97 2j42A1 TRP 212 HE1 0.01 -0.04 -0.01 -0.04 10.20 10.12 2j42A1 TRP 212 HE3 -0.20 0.08 -0.04 -0.04 7.59 7.38 2j42A1 TRP 212 HZ2 -0.01 -0.02 0.00 -0.04 7.44 7.37 2j42A1 TRP 212 HZ3 -0.05 0.02 0.00 -0.04 7.13 7.06 2j42A1 TRP 212 HH2 -0.02 -0.01 0.01 -0.04 7.19 7.13 2j42A1 ASP 213 H -0.31 0.27 -0.07 -0.55 8.40 7.74 2j42A1 ASP 213 HA -0.10 0.06 0.32 -0.75 4.63 4.16 2j42A1 ASP 213 HB2 -0.22 0.09 0.12 -0.04 2.71 2.65 2j42A1 ASP 213 HB3 -0.35 -0.14 0.13 -0.04 2.70 2.30 2j42A1 ASP 214 H -0.26 0.04 -0.03 -0.55 8.40 7.60 2j42A1 ASP 214 HA 0.01 0.10 0.35 -0.75 4.63 4.34 2j42A1 ASP 214 HB2 0.10 -0.24 0.22 -0.04 2.71 2.75 2j42A1 ASP 214 HB3 0.04 0.08 0.13 -0.04 2.70 2.91 2j42A1 LYS 215 H 0.26 0.06 0.07 -0.55 8.42 8.26 2j42A1 LYS 215 HA 0.21 0.01 0.34 -0.75 4.32 4.13 2j42A1 LYS 215 HB2 0.32 -0.04 0.12 -0.04 1.87 2.23 2j42A1 LYS 215 HB3 0.72 -0.01 0.06 -0.04 1.79 2.51 2j42A1 LYS 215 HG2 0.16 0.03 0.00 -0.04 1.46 1.61 2j42A1 LYS 215 HG3 0.35 0.04 -0.17 -0.04 1.46 1.64 2j42A1 LYS 215 HD2 0.15 -0.06 0.17 -0.04 1.69 1.91 2j42A1 LYS 215 HD3 0.08 0.02 0.05 -0.04 1.68 1.78 2j42A1 LYS 215 HE2 -0.01 0.09 0.01 -0.04 2.99 3.04 2j42A1 LYS 215 HE3 -0.03 -0.01 -0.14 -0.04 2.99 2.77 2j42A1 PHE 216 H 0.65 0.36 -0.31 -0.55 8.34 8.49 2j42A1 PHE 216 HA 0.22 0.04 0.48 -0.75 4.62 4.60 2j42A1 PHE 216 HB2 0.15 0.18 0.09 -0.04 3.15 3.52 2j42A1 PHE 216 HB3 0.13 -0.04 -0.05 -0.04 3.06 3.06 2j42A1 PHE 216 HD2 0.05 -0.09 -0.06 -0.04 7.28 7.14 2j42A1 PHE 216 HE2 -0.17 0.21 -0.05 -0.04 7.38 7.34 2j42A1 PHE 216 HZ -0.14 -0.02 -0.17 -0.04 7.32 6.95 2j42A1 ALA 217 H 0.25 0.46 0.20 -0.55 8.40 8.77 2j42A1 ALA 217 HA 0.12 -0.15 0.43 -0.75 4.34 3.98 2j42A1 ALA 217 HB3 0.05 0.02 0.18 -0.04 1.41 1.62 2j42A1 ALA 218 H 0.14 0.17 -1.18 -0.55 8.40 6.99 2j42A1 ALA 218 HA 0.01 0.02 0.36 -0.75 4.34 3.98 2j42A1 ALA 218 HB3 0.06 0.02 -0.00 -0.04 1.41 1.44 2j42A1 ASN 219 H 0.01 0.29 0.09 -0.55 8.53 8.37 2j42A1 ASN 219 HA -0.12 -0.01 0.36 -0.75 4.76 4.23 2j42A1 ASN 219 HB2 -0.53 0.03 -0.06 -0.04 2.88 2.28 2j42A1 ASN 219 HB3 -0.12 -0.05 0.11 -0.04 2.79 2.68 2j42A1 ASN 219 HD21 0.07 -0.03 0.03 -0.04 7.03 7.06 2j42A1 ASN 219 HD22 0.58 -0.03 0.01 -0.04 7.74 8.26 2j42A1 GLY 220 H -0.28 0.07 -0.92 -0.55 8.43 6.75 2j42A1 GLY 220 HA2 -0.17 0.11 0.28 -0.51 4.01 3.72 2j42A1 GLY 220 HA3 -0.26 0.11 0.73 -0.51 4.01 4.08 2j42A1 TYR 221 H -0.05 0.18 0.10 -0.55 8.29 7.97 2j42A1 TYR 221 HA -0.06 0.23 0.84 -0.75 4.56 4.81 2j42A1 TYR 221 HB2 -0.00 -0.09 -0.18 -0.04 3.06 2.74 2j42A1 TYR 221 HB3 -0.09 -0.02 -0.11 -0.04 2.98 2.73 2j42A1 TYR 221 HD2 -0.04 0.04 -0.21 -0.04 7.15 6.90 2j42A1 TYR 221 HE2 -0.12 -0.00 -0.03 -0.04 6.85 6.66 2j42A1 LYS 222 H -0.01 0.22 0.09 -0.55 8.42 8.17 2j42A1 LYS 222 HA -0.03 0.05 0.65 -0.75 4.32 4.24 2j42A1 LYS 222 HB2 -0.03 0.04 0.10 -0.04 1.87 1.94 2j42A1 LYS 222 HB3 0.03 0.06 0.04 -0.04 1.79 1.88 2j42A1 LYS 222 HG2 0.02 0.05 0.00 -0.04 1.46 1.49 2j42A1 LYS 222 HG3 -0.01 -0.12 0.00 -0.04 1.46 1.30 2j42A1 LYS 222 HD2 0.01 -0.04 0.11 -0.04 1.69 1.73 2j42A1 LYS 222 HD3 0.10 0.07 0.03 -0.04 1.68 1.84 2j42A1 LYS 222 HE2 -0.00 -0.03 0.00 -0.04 2.99 2.92 2j42A1 LYS 222 HE3 0.03 0.03 0.04 -0.04 2.99 3.05 2j42A1 LYS 223 H -0.05 0.13 0.18 -0.55 8.42 8.12 2j42A1 LYS 223 HA -0.22 -0.04 0.31 -0.75 4.32 3.62 2j42A1 LYS 223 HB2 -0.05 -0.04 0.04 -0.04 1.87 1.77 2j42A1 LYS 223 HB3 -0.03 -0.01 0.11 -0.04 1.79 1.82 2j42A1 LYS 223 HG2 -0.02 0.01 -0.48 -0.04 1.46 0.92 2j42A1 LYS 223 HG3 -0.07 -0.04 -0.13 -0.04 1.46 1.18 2j42A1 LYS 223 HD2 -0.04 -0.07 -0.04 -0.04 1.69 1.50 2j42A1 LYS 223 HD3 -0.01 -0.02 -0.07 -0.04 1.68 1.54 2j42A1 LYS 223 HE2 0.00 0.05 -0.17 -0.04 2.99 2.82 2j42A1 LYS 223 HE3 -0.03 0.11 -0.02 -0.04 2.99 3.02 2j42A1 TYR 224 H -0.27 0.12 -0.02 -0.55 8.29 7.57 2j42A1 TYR 224 HA -0.18 0.16 1.02 -0.75 4.56 4.81 2j42A1 TYR 224 HB2 -1.08 0.45 0.33 -0.04 3.06 2.71 2j42A1 TYR 224 HB3 -0.68 -0.05 0.00 -0.04 2.98 2.21 2j42A1 TYR 224 HD2 -0.22 0.04 -0.10 -0.04 7.15 6.82 2j42A1 TYR 224 HE2 -0.07 -0.01 -0.03 -0.04 6.85 6.70 2j42A1 VAL 225 H 0.04 0.20 0.19 -0.55 8.24 8.11 2j42A1 VAL 225 HA 0.08 0.19 0.88 -0.75 4.13 4.53 2j42A1 VAL 225 HB 0.05 0.02 -0.03 -0.04 2.12 2.12 2j42A1 VAL 225 HG13 0.05 0.03 0.03 -0.04 0.97 1.04 2j42A1 VAL 225 HG23 0.04 -0.01 -0.00 -0.04 0.95 0.93 2j42A1 SER 226 H 0.18 0.63 0.31 -0.55 8.46 9.02 2j42A1 SER 226 HA 0.11 0.12 0.76 -0.75 4.49 4.73 2j42A1 SER 226 HB2 0.54 -0.01 -0.24 -0.04 3.95 4.19 2j42A1 SER 226 HB3 0.23 -0.00 -0.05 -0.04 3.93 4.07 2j42A1 ASN 227 H 0.08 0.11 0.17 -0.55 8.53 8.35 2j42A1 ASN 227 HA 0.06 0.31 0.75 -0.75 4.76 5.12 2j42A1 ASN 227 HB2 0.07 0.03 0.04 -0.04 2.88 2.98 2j42A1 ASN 227 HB3 0.06 0.02 0.08 -0.04 2.79 2.91 2j42A1 ASN 227 HD21 0.13 -0.23 -0.58 -0.04 7.03 6.31 2j42A1 ASN 227 HD22 0.08 -0.08 -0.23 -0.04 7.74 7.48 2j42A1 PRO 228 HA -0.17 0.13 0.77 -0.51 4.44 4.66 2j42A1 PRO 228 HB2 -0.93 0.02 0.02 -0.04 2.28 1.35 2j42A1 PRO 228 HB3 -0.27 -0.05 0.09 -0.04 2.02 1.74 2j42A1 PRO 228 HG2 -0.23 0.08 0.12 -0.04 2.03 1.95 2j42A1 PRO 228 HG3 -0.11 0.07 0.02 -0.04 2.03 1.96 2j42A1 PRO 228 HD2 0.04 0.34 0.27 -0.04 3.68 4.28 2j42A1 PRO 228 HD3 -0.01 0.28 -0.35 -0.04 3.65 3.54 2j42A1 PHE 229 H 0.02 0.23 0.06 -0.55 8.34 8.10 2j42A1 PHE 229 HA 0.01 0.18 0.83 -0.75 4.62 4.89 2j42A1 PHE 229 HB2 0.02 0.04 0.06 -0.04 3.15 3.22 2j42A1 PHE 229 HB3 0.01 0.02 0.14 -0.04 3.06 3.20 2j42A1 PHE 229 HD2 0.01 0.07 0.03 -0.04 7.28 7.35 2j42A1 PHE 229 HE2 0.01 0.03 0.01 -0.04 7.38 7.39 2j42A1 PHE 229 HZ 0.01 -0.01 -0.00 -0.04 7.32 7.28 2j42A1 LYS 230 H 0.06 0.06 -0.39 -0.55 8.42 7.59 2j42A1 LYS 230 HA 0.08 0.30 0.84 -0.75 4.32 4.78 2j42A1 LYS 230 HB2 0.08 -0.06 -0.03 -0.04 1.87 1.82 2j42A1 LYS 230 HB3 0.06 0.01 -0.23 -0.04 1.79 1.59 2j42A1 LYS 230 HG2 0.06 0.07 -0.03 -0.04 1.46 1.53 2j42A1 LYS 230 HG3 0.10 0.01 -0.31 -0.04 1.46 1.21 2j42A1 LYS 230 HD2 0.06 -0.04 -0.08 -0.04 1.69 1.59 2j42A1 LYS 230 HD3 0.07 -0.04 -0.08 -0.04 1.68 1.58 2j42A1 LYS 230 HE2 0.04 0.07 -0.00 -0.04 2.99 3.06 2j42A1 LYS 230 HE3 0.04 -0.03 -0.01 -0.04 2.99 2.95 2j42A1 PRO 231 HA 0.04 -0.01 0.27 -0.51 4.44 4.23 2j42A1 PRO 231 HB2 0.06 0.05 -0.00 -0.04 2.28 2.34 2j42A1 PRO 231 HB3 0.05 0.07 0.08 -0.04 2.02 2.18 2j42A1 PRO 231 HG2 0.04 0.06 0.07 -0.04 2.03 2.17 2j42A1 PRO 231 HG3 0.03 0.26 0.00 -0.04 2.03 2.28 2j42A1 PRO 231 HD2 0.06 0.16 0.14 -0.04 3.68 3.99 2j42A1 PRO 231 HD3 0.05 0.13 -0.29 -0.04 3.65 3.50 2j42A1 CYS 232 H 0.05 0.05 -0.98 -0.55 8.50 7.08 2j42A1 CYS 232 HA 0.06 0.02 0.61 -0.75 4.58 4.52 2j42A1 CYS 232 HB2 0.04 -0.05 0.10 -0.04 2.97 3.02 2j42A1 CYS 232 HB3 0.04 0.08 0.01 -0.04 2.97 3.05 2j42A1 THR 233 H 0.05 0.18 0.06 -0.55 8.28 8.02 2j42A1 THR 233 HA 0.04 0.03 0.42 -0.75 4.39 4.13 2j42A1 THR 233 HB 0.03 0.21 0.11 -0.04 4.32 4.62 2j42A1 THR 233 HG23 0.04 -0.00 -0.00 -0.04 1.22 1.22 2j42A1 ALA 234 H 0.02 0.33 -0.08 -0.55 8.40 8.12 2j42A1 ALA 234 HA -0.02 0.04 0.08 -0.75 4.34 3.69 2j42A1 ALA 234 HB3 -0.00 -0.03 -0.39 -0.04 1.41 0.94 2j42A1 ASN 235 H 0.02 0.15 -1.57 -0.55 8.53 6.58 2j42A1 ASN 235 HA 0.03 0.03 0.24 -0.75 4.76 4.31 2j42A1 ASN 235 HB2 -0.01 0.12 -0.41 -0.04 2.88 2.54 2j42A1 ASN 235 HB3 0.02 -0.18 -0.10 -0.04 2.79 2.49 2j42A1 ASN 235 HD21 0.02 -0.08 -0.03 -0.04 7.03 6.89 2j42A1 ASN 235 HD22 0.02 -0.20 -0.15 -0.04 7.74 7.36 2j42A1 ASP 236 H 0.02 0.27 -0.05 -0.55 8.40 8.08 2j42A1 ASP 236 HA -0.03 0.11 0.46 -0.75 4.63 4.42 2j42A1 ASP 236 HB2 -0.19 -0.04 0.04 -0.04 2.71 2.48 2j42A1 ASP 236 HB3 -0.02 0.09 -0.33 -0.04 2.70 2.40 2j42A1 PRO 237 HA -0.11 0.06 0.41 -0.51 4.44 4.29 2j42A1 PRO 237 HB2 -0.67 0.00 0.02 -0.04 2.28 1.59 2j42A1 PRO 237 HB3 -0.70 -0.01 0.09 -0.04 2.02 1.36 2j42A1 PRO 237 HG2 -1.68 -0.03 0.15 -0.04 2.03 0.42 2j42A1 PRO 237 HG3 -2.10 0.02 0.09 -0.04 2.03 0.00 2j42A1 PRO 237 HD2 -0.54 0.16 0.17 -0.04 3.68 3.43 2j42A1 PRO 237 HD3 -1.21 0.11 0.13 -0.04 3.65 2.64 2j42A1 TYR 238 H -0.85 0.07 -0.06 -0.55 8.29 6.91 2j42A1 TYR 238 HA 0.04 -0.03 0.35 -0.75 4.56 4.16 2j42A1 TYR 238 HB2 -0.01 0.09 -0.11 -0.04 3.06 2.98 2j42A1 TYR 238 HB3 0.01 0.05 0.06 -0.04 2.98 3.05 2j42A1 TYR 238 HD2 0.02 0.03 0.02 -0.04 7.15 7.17 2j42A1 TYR 238 HE2 0.08 0.09 0.12 -0.04 6.85 7.10 2j42A1 THR 239 H 0.18 0.03 0.11 -0.55 8.28 8.06 2j42A1 THR 239 HA 0.09 0.31 0.93 -0.75 4.39 4.97 2j42A1 THR 239 HB 0.12 0.06 0.22 -0.04 4.32 4.67 2j42A1 THR 239 HG23 0.11 0.11 -0.01 -0.04 1.22 1.39 2j42A1 ASP 240 H 0.09 0.70 0.32 -0.55 8.40 8.97 2j42A1 ASP 240 HA 0.06 0.05 0.39 -0.75 4.63 4.38 2j42A1 ASP 240 HB2 0.12 -0.09 0.12 -0.04 2.71 2.82 2j42A1 ASP 240 HB3 0.17 0.02 0.02 -0.04 2.70 2.87 2j42A1 PHE 241 H 0.18 0.16 -0.04 -0.55 8.34 8.09 2j42A1 PHE 241 HA -0.02 0.06 0.29 -0.75 4.62 4.20 2j42A1 PHE 241 HB2 -0.14 0.15 0.13 -0.04 3.15 3.25 2j42A1 PHE 241 HB3 -0.30 -0.08 0.07 -0.04 3.06 2.72 2j42A1 PHE 241 HD2 -0.67 -0.05 -0.12 -0.04 7.28 6.39 2j42A1 PHE 241 HE2 -0.24 -0.02 -0.02 -0.04 7.38 7.05 2j42A1 PHE 241 HZ -0.23 0.03 -0.06 -0.04 7.32 7.03 2j42A1 GLU 242 H 0.11 -0.01 -0.30 -0.55 8.60 7.86 2j42A1 GLU 242 HA -0.07 -0.04 0.34 -0.75 4.29 3.77 2j42A1 GLU 242 HB2 0.11 -0.14 0.11 -0.04 2.09 2.12 2j42A1 GLU 242 HB3 0.04 0.48 0.09 -0.04 1.99 2.55 2j42A1 GLU 242 HG2 0.23 0.01 0.04 -0.04 2.34 2.58 2j42A1 GLU 242 HG3 0.24 -0.02 -0.03 -0.04 2.34 2.49 2j42A1 LYS 243 H -0.02 0.51 -0.33 -0.55 8.42 8.04 2j42A1 LYS 243 HA -0.11 0.02 0.24 -0.75 4.32 3.71 2j42A1 LYS 243 HB2 -0.06 0.05 0.03 -0.04 1.87 1.85 2j42A1 LYS 243 HB3 -0.11 0.14 -0.42 -0.04 1.79 1.36 2j42A1 LYS 243 HG2 -0.01 0.03 -0.18 -0.04 1.46 1.26 2j42A1 LYS 243 HG3 0.06 -0.06 -0.19 -0.04 1.46 1.23 2j42A1 LYS 243 HD2 0.06 -0.15 -0.36 -0.04 1.69 1.19 2j42A1 LYS 243 HD3 -0.02 -0.10 -0.38 -0.04 1.68 1.15 2j42A1 LYS 243 HE2 -0.01 0.09 -0.36 -0.04 2.99 2.67 2j42A1 LYS 243 HE3 0.10 -0.18 -0.24 -0.04 2.99 2.63 2j42A1 VAL 244 H -0.15 0.23 0.03 -0.55 8.24 7.81 2j42A1 VAL 244 HA -0.17 0.21 0.39 -0.75 4.13 3.80 2j42A1 VAL 244 HB -0.14 -0.05 0.09 -0.04 2.12 1.98 2j42A1 VAL 244 HG13 -0.02 0.01 0.05 -0.04 0.97 0.98 2j42A1 VAL 244 HG23 0.07 -0.03 -0.21 -0.04 0.95 0.73 2j42A1 SER 245 H -0.27 0.36 -0.40 -0.55 8.46 7.61 2j42A1 SER 245 HA -0.17 -0.00 0.39 -0.75 4.49 3.95 2j42A1 SER 245 HB2 -0.29 -0.16 0.03 -0.04 3.95 3.48 2j42A1 SER 245 HB3 -0.34 -0.07 0.02 -0.04 3.93 3.50 2j42A1 GLY 246 H -0.15 0.57 -0.12 -0.55 8.43 8.18 2j42A1 GLY 246 HA2 -0.09 0.08 0.25 -0.51 4.01 3.74 2j42A1 GLY 246 HA3 -0.08 0.06 0.76 -0.51 4.01 4.24 2j42A1 GLN 247 H -0.13 0.06 -0.05 -0.55 8.47 7.80 2j42A1 GLN 247 HA -0.14 -0.01 0.36 -0.75 4.36 3.81 2j42A1 GLN 247 HB2 -0.06 -0.10 0.25 -0.04 2.15 2.20 2j42A1 GLN 247 HB3 -0.17 -0.06 0.06 -0.04 2.02 1.80 2j42A1 GLN 247 HG2 -0.03 -0.01 -0.04 -0.04 2.40 2.29 2j42A1 GLN 247 HG3 -0.10 0.02 -0.01 -0.04 2.39 2.26 2j42A1 GLN 247 HE21 -0.54 -0.02 -0.30 -0.04 6.97 6.07 2j42A1 GLN 247 HE22 -0.25 0.17 0.10 -0.04 7.69 7.68 2j42A1 ILE 248 H -0.10 0.38 0.47 -0.55 8.25 8.44 2j42A1 ILE 248 HA -0.25 -0.08 0.42 -0.75 4.18 3.51 2j42A1 ILE 248 HB -0.28 0.13 -0.61 -0.04 1.89 1.09 2j42A1 ILE 248 HG12 -1.27 -0.23 0.15 -0.04 1.49 0.10 2j42A1 ILE 248 HG13 -1.68 -0.10 0.13 -0.04 1.21 -0.48 2j42A1 ILE 248 HG23 -0.18 0.09 -0.28 -0.04 0.93 0.52 2j42A1 ILE 248 HD13 -0.48 0.04 -0.06 -0.04 0.88 0.34 2j42A1 ASP 249 H -0.38 0.14 0.13 -0.55 8.40 7.75 2j42A1 ASP 249 HA 0.11 0.09 0.55 -0.75 4.63 4.62 2j42A1 ASP 249 HB2 0.23 0.03 0.14 -0.04 2.71 3.08 2j42A1 ASP 249 HB3 0.10 0.06 0.23 -0.04 2.70 3.05 2j42A1 PRO 250 HA -0.03 0.16 0.34 -0.51 4.44 4.39 2j42A1 PRO 250 HB2 -0.05 0.03 -0.02 -0.04 2.28 2.19 2j42A1 PRO 250 HB3 -0.10 0.03 0.14 -0.04 2.02 2.04 2j42A1 PRO 250 HG2 0.03 -0.04 0.07 -0.04 2.03 2.05 2j42A1 PRO 250 HG3 -0.06 0.04 0.10 -0.04 2.03 2.07 2j42A1 PRO 250 HD2 0.12 -0.03 0.25 -0.04 3.68 3.99 2j42A1 PRO 250 HD3 0.12 0.26 0.32 -0.04 3.65 4.31 2j42A1 SER 251 H 0.04 -0.05 -0.40 -0.55 8.46 7.50 2j42A1 SER 251 HA -0.03 0.12 0.41 -0.75 4.49 4.23 2j42A1 SER 251 HB2 0.03 -0.05 -0.07 -0.04 3.95 3.81 2j42A1 SER 251 HB3 -0.11 -0.01 -0.03 -0.04 3.93 3.75 2j42A1 VAL 252 H 0.03 0.26 -0.24 -0.55 8.24 7.75 2j42A1 VAL 252 HA 0.06 -0.10 0.29 -0.75 4.13 3.63 2j42A1 VAL 252 HB -0.03 0.15 0.04 -0.04 2.12 2.24 2j42A1 VAL 252 HG13 0.03 0.13 -0.11 -0.04 0.97 0.97 2j42A1 VAL 252 HG23 0.11 -0.08 0.15 -0.04 0.95 1.08 2j42A1 SER 253 H 0.04 0.34 0.07 -0.55 8.46 8.37 2j42A1 SER 253 HA 0.02 0.10 0.56 -0.75 4.49 4.41 2j42A1 SER 253 HB2 0.04 -0.01 0.20 -0.04 3.95 4.14 2j42A1 SER 253 HB3 0.04 -0.05 0.07 -0.04 3.93 3.95 2j42A1 MET 254 H 0.01 0.18 0.15 -0.55 8.47 8.27 2j42A1 MET 254 HA 0.00 0.13 0.24 -0.75 4.52 4.14 2j42A1 MET 254 HB2 0.02 0.00 -0.10 -0.04 2.15 2.03 2j42A1 MET 254 HB3 0.01 0.04 0.08 -0.04 2.03 2.11 2j42A1 MET 254 HG2 0.01 0.07 0.14 -0.04 2.63 2.81 2j42A1 MET 254 HG3 0.03 -0.06 0.04 -0.04 2.56 2.53 2j42A1 MET 254 HE3 -0.00 0.00 0.00 -0.04 2.10 2.06 2j42A1 VAL 255 H 0.04 0.03 -0.62 -0.55 8.24 7.13 2j42A1 VAL 255 HA 0.02 0.00 0.39 -0.75 4.13 3.79 2j42A1 VAL 255 HB -0.00 0.13 -0.02 -0.04 2.12 2.19 2j42A1 VAL 255 HG13 0.08 -0.03 -0.19 -0.04 0.97 0.80 2j42A1 VAL 255 HG23 0.05 0.00 -0.15 -0.04 0.95 0.81 2j42A1 ALA 256 H 0.02 1.21 -0.15 -0.55 8.40 8.93 2j42A1 ALA 256 HA 0.02 0.23 0.82 -0.75 4.34 4.65 2j42A1 ALA 256 HB3 0.07 -0.06 0.21 -0.04 1.41 1.59 2j42A1 ARG 257 H -0.02 0.20 -0.47 -0.55 8.46 7.62 2j42A1 ARG 257 HA -0.07 0.18 0.73 -0.75 4.34 4.43 2j42A1 ARG 257 HB2 -0.01 -0.03 -0.04 -0.04 1.90 1.78 2j42A1 ARG 257 HB3 -0.04 0.06 -0.01 -0.04 1.80 1.77 2j42A1 ARG 257 HG2 -0.02 -0.10 -0.45 -0.04 1.67 1.05 2j42A1 ARG 257 HG3 -0.00 0.02 0.05 -0.04 1.67 1.70 2j42A1 ARG 257 HD2 -0.03 -0.03 -0.07 -0.04 3.22 3.05 2j42A1 ARG 257 HD3 -0.06 0.07 -0.13 -0.04 3.22 3.06 2j42A1 ASP 258 H -0.08 0.18 0.02 -0.55 8.40 7.98 2j42A1 ASP 258 HA -0.54 0.18 0.71 -0.75 4.63 4.22 2j42A1 ASP 258 HB2 -0.07 0.12 0.19 -0.04 2.71 2.90 2j42A1 ASP 258 HB3 -0.13 -0.21 0.13 -0.04 2.70 2.45 2j42A1 PRO 259 HA -0.04 0.14 0.44 -0.51 4.44 4.46 2j42A1 PRO 259 HB2 0.03 -0.06 0.09 -0.04 2.28 2.30 2j42A1 PRO 259 HB3 0.01 -0.01 0.13 -0.04 2.02 2.10 2j42A1 PRO 259 HG2 -0.10 0.22 0.09 -0.04 2.03 2.20 2j42A1 PRO 259 HG3 -0.11 0.02 0.00 -0.04 2.03 1.90 2j42A1 PRO 259 HD2 -0.61 0.09 0.28 -0.04 3.68 3.40 2j42A1 PRO 259 HD3 -0.64 0.22 0.20 -0.04 3.65 3.39 2j42A1 MET 260 H -0.08 0.07 -0.24 -0.55 8.47 7.67 2j42A1 MET 260 HA -0.00 0.10 0.74 -0.75 4.52 4.61 2j42A1 MET 260 HB2 -0.01 0.04 -0.01 -0.04 2.15 2.13 2j42A1 MET 260 HB3 0.01 0.02 0.08 -0.04 2.03 2.09 2j42A1 MET 260 HG2 0.02 0.03 0.01 -0.04 2.63 2.65 2j42A1 MET 260 HG3 -0.02 -0.09 -0.01 -0.04 2.56 2.40 2j42A1 MET 260 HE3 0.03 0.02 0.00 -0.04 2.10 2.12 2j42A1 ILE 261 H -0.04 0.17 -0.31 -0.55 8.25 7.52 2j42A1 ILE 261 HA -0.02 0.16 1.08 -0.75 4.18 4.64 2j42A1 ILE 261 HB -0.03 -0.17 0.28 -0.04 1.89 1.93 2j42A1 ILE 261 HG12 -0.03 -0.03 0.05 -0.04 1.49 1.44 2j42A1 ILE 261 HG13 -0.05 0.07 0.04 -0.04 1.21 1.23 2j42A1 ILE 261 HG23 0.01 0.14 0.02 -0.04 0.93 1.06 2j42A1 ILE 261 HD13 -0.03 -0.08 -0.22 -0.04 0.88 0.51 2j42A1 SER 262 H -0.04 0.23 0.08 -0.55 8.46 8.18 2j42A1 SER 262 HA -0.03 0.05 0.19 -0.75 4.49 3.94 2j42A1 SER 262 HB2 -0.23 0.17 0.04 -0.04 3.95 3.88 2j42A1 SER 262 HB3 -0.20 0.01 0.07 -0.04 3.93 3.76 2j42A1 ALA 263 H 0.07 0.13 -0.04 -0.55 8.40 8.02 2j42A1 ALA 263 HA 0.20 0.30 0.79 -0.75 4.34 4.87 2j42A1 ALA 263 HB3 0.26 0.01 0.04 -0.04 1.41 1.68 2j42A1 TYR 264 H 0.63 0.18 -0.11 -0.55 8.29 8.43 2j42A1 TYR 264 HA 0.12 0.21 0.93 -0.75 4.56 5.07 2j42A1 TYR 264 HB2 -0.10 0.02 0.05 -0.04 3.06 2.99 2j42A1 TYR 264 HB3 0.11 0.01 -0.08 -0.04 2.98 2.98 2j42A1 TYR 264 HD2 0.02 -0.07 -0.00 -0.04 7.15 7.05 2j42A1 TYR 264 HE2 0.03 -0.02 -0.07 -0.04 6.85 6.75 2j42A1 PRO 265 HA -0.35 -0.02 0.74 -0.51 4.44 4.31 2j42A1 PRO 265 HB2 -0.45 -0.03 -0.11 -0.04 2.28 1.64 2j42A1 PRO 265 HB3 -0.37 0.14 -0.44 -0.04 2.02 1.32 2j42A1 PRO 265 HG2 -0.95 -0.04 -0.10 -0.04 2.03 0.90 2j42A1 PRO 265 HG3 -1.62 0.06 -0.21 -0.04 2.03 0.22 2j42A1 PRO 265 HD2 -1.14 0.09 0.15 -0.04 3.68 2.73 2j42A1 PRO 265 HD3 -1.84 0.23 0.08 -0.04 3.65 2.07 2j42A1 ILE 266 H -0.35 0.04 0.07 -0.55 8.25 7.46 2j42A1 ILE 266 HA -0.59 0.16 0.80 -0.75 4.18 3.80 2j42A1 ILE 266 HB -0.28 -0.06 -0.04 -0.04 1.89 1.48 2j42A1 ILE 266 HG12 -0.25 0.08 -0.13 -0.04 1.49 1.15 2j42A1 ILE 266 HG13 -0.75 0.19 -0.36 -0.04 1.21 0.25 2j42A1 ILE 266 HG23 -0.14 0.05 0.05 -0.04 0.93 0.85 2j42A1 ILE 266 HD13 -0.75 -0.01 -0.22 -0.04 0.88 -0.15 2j42A1 VAL 267 H -0.62 0.04 -0.04 -0.55 8.24 7.07 2j42A1 VAL 267 HA -0.20 0.20 0.54 -0.75 4.13 3.92 2j42A1 VAL 267 HB -0.28 -0.03 0.06 -0.04 2.12 1.83 2j42A1 VAL 267 HG13 0.04 -0.16 0.20 -0.04 0.97 1.01 2j42A1 VAL 267 HG23 -0.25 -0.00 0.04 -0.04 0.95 0.69 2j42A1 GLY 268 H -0.01 0.17 0.29 -0.55 8.43 8.33 2j42A1 GLY 268 HA2 -0.10 -0.08 0.32 -0.51 4.01 3.63 2j42A1 GLY 268 HA3 -0.26 0.22 0.70 -0.51 4.01 4.16 2j42A1 VAL 269 H -0.09 0.20 0.16 -0.55 8.24 7.95 2j42A1 VAL 269 HA -0.07 0.23 0.99 -0.75 4.13 4.53 2j42A1 VAL 269 HB -0.11 -0.10 -0.00 -0.04 2.12 1.86 2j42A1 VAL 269 HG13 -0.32 0.03 -0.21 -0.04 0.97 0.43 2j42A1 VAL 269 HG23 -0.41 -0.02 -0.25 -0.04 0.95 0.23 2j42A1 GLN 270 H 0.04 0.70 0.31 -0.55 8.47 8.98 2j42A1 GLN 270 HA 0.15 0.15 0.97 -0.75 4.36 4.88 2j42A1 GLN 270 HB2 -0.05 -0.01 0.04 -0.04 2.15 2.10 2j42A1 GLN 270 HB3 0.16 -0.01 -0.04 -0.04 2.02 2.08 2j42A1 GLN 270 HG2 0.09 -0.12 -0.27 -0.04 2.40 2.06 2j42A1 GLN 270 HG3 0.13 0.19 -0.19 -0.04 2.39 2.48 2j42A1 GLN 270 HE21 0.06 -0.01 -0.04 -0.04 6.97 6.95 2j42A1 GLN 270 HE22 0.06 0.05 -0.03 -0.04 7.69 7.73 2j42A1 MET 271 H 0.19 0.18 0.18 -0.55 8.47 8.48 2j42A1 MET 271 HA -0.06 0.13 0.86 -0.75 4.52 4.69 2j42A1 MET 271 HB2 -0.55 0.03 0.07 -0.04 2.15 1.67 2j42A1 MET 271 HB3 -1.19 0.02 -0.11 -0.04 2.03 0.71 2j42A1 MET 271 HG2 -0.27 0.02 -0.11 -0.04 2.63 2.23 2j42A1 MET 271 HG3 -0.59 0.01 -0.10 -0.04 2.56 1.85 2j42A1 MET 271 HE3 -0.47 -0.00 -0.11 -0.04 2.10 1.48 2j42A1 GLU 272 H 0.06 0.35 0.33 -0.55 8.60 8.79 2j42A1 GLU 272 HA 0.26 0.28 1.03 -0.75 4.29 5.10 2j42A1 GLU 272 HB2 0.07 0.00 0.02 -0.04 2.09 2.14 2j42A1 GLU 272 HB3 0.08 -0.01 0.06 -0.04 1.99 2.09 2j42A1 GLU 272 HG2 0.10 0.09 -0.06 -0.04 2.34 2.42 2j42A1 GLU 272 HG3 0.07 -0.04 -0.27 -0.04 2.34 2.06 2j42A1 ARG 273 H 0.10 0.06 0.16 -0.55 8.46 8.23 2j42A1 ARG 273 HA 0.33 0.17 0.57 -0.75 4.34 4.65 2j42A1 ARG 273 HB2 0.12 0.02 -0.08 -0.04 1.90 1.92 2j42A1 ARG 273 HB3 0.12 0.31 0.04 -0.04 1.80 2.23 2j42A1 ARG 273 HG2 0.06 -0.09 -0.09 -0.04 1.67 1.51 2j42A1 ARG 273 HG3 0.06 -0.02 -0.17 -0.04 1.67 1.50 2j42A1 ARG 273 HD2 0.04 -0.03 -0.09 -0.04 3.22 3.10 2j42A1 ARG 273 HD3 0.05 -0.01 -0.14 -0.04 3.22 3.08 2j42A1 LEU 274 H 0.21 0.00 0.27 -0.55 8.37 8.30 2j42A1 LEU 274 HA -0.03 0.05 0.86 -0.75 4.35 4.48 2j42A1 LEU 274 HB2 -0.04 0.01 -0.07 -0.04 1.64 1.49 2j42A1 LEU 274 HB3 -0.15 -0.03 0.01 -0.04 1.64 1.43 2j42A1 LEU 274 HG 0.09 0.03 0.08 -0.04 1.64 1.80 2j42A1 LEU 274 HD13 -0.01 0.00 -0.10 -0.04 0.93 0.79 2j42A1 LEU 274 HD23 0.35 -0.00 0.10 -0.04 0.89 1.29 2j42A1 VAL 275 H 0.00 0.33 -0.00 -0.55 8.24 8.02 2j42A1 VAL 275 HA 0.07 0.24 0.80 -0.75 4.13 4.48 2j42A1 VAL 275 HB 0.02 0.30 0.27 -0.04 2.12 2.67 2j42A1 VAL 275 HG13 0.04 -0.04 -0.13 -0.04 0.97 0.79 2j42A1 VAL 275 HG23 0.05 -0.04 -0.17 -0.04 0.95 0.76 2j42A1 VAL 276 H 0.04 0.50 0.05 -0.55 8.24 8.28 2j42A1 VAL 276 HA 0.04 0.14 1.09 -0.75 4.13 4.64 2j42A1 VAL 276 HB 0.02 0.07 -0.10 -0.04 2.12 2.06 2j42A1 VAL 276 HG13 0.02 -0.02 -0.20 -0.04 0.97 0.73 2j42A1 VAL 276 HG23 -0.02 0.03 -0.07 -0.04 0.95 0.85 2j42A1 SER 277 H 0.06 0.63 0.35 -0.55 8.46 8.96 2j42A1 SER 277 HA 0.03 0.28 0.54 -0.75 4.49 4.58 2j42A1 SER 277 HB2 0.02 -0.26 0.38 -0.04 3.95 4.04 2j42A1 SER 277 HB3 0.03 0.16 0.09 -0.04 3.93 4.17 2j42A1 LYS 278 H -0.02 0.18 0.46 -0.55 8.42 8.48 2j42A1 LYS 278 HA -0.06 0.17 0.46 -0.75 4.32 4.14 2j42A1 LYS 278 HB2 -0.04 0.09 0.04 -0.04 1.87 1.92 2j42A1 LYS 278 HB3 -0.08 -0.02 0.24 -0.04 1.79 1.89 2j42A1 LYS 278 HG2 -0.10 -0.02 -0.11 -0.04 1.46 1.19 2j42A1 LYS 278 HG3 -0.05 0.04 -0.02 -0.04 1.46 1.39 2j42A1 LYS 278 HD2 -0.03 0.08 -0.01 -0.04 1.69 1.68 2j42A1 LYS 278 HD3 -0.05 -0.03 -0.02 -0.04 1.68 1.54 2j42A1 LYS 278 HE2 -0.04 -0.03 -0.02 -0.04 2.99 2.86 2j42A1 LYS 278 HE3 -0.06 0.02 -0.02 -0.04 2.99 2.88 2j42A1 SER 279 H -0.17 0.19 -0.08 -0.55 8.46 7.86 2j42A1 SER 279 HA -1.17 0.19 0.92 -0.75 4.49 3.68 2j42A1 SER 279 HB2 -0.39 0.11 -0.04 -0.04 3.95 3.59 2j42A1 SER 279 HB3 -0.18 -0.07 -0.14 -0.04 3.93 3.50 2j42A1 GLU 280 H -0.51 0.20 0.07 -0.55 8.60 7.82 2j42A1 GLU 280 HA -0.11 0.12 0.22 -0.75 4.29 3.77 2j42A1 GLU 280 HB2 -0.04 0.02 0.08 -0.04 2.09 2.11 2j42A1 GLU 280 HB3 -0.03 0.02 0.06 -0.04 1.99 1.99 2j42A1 GLU 280 HG2 -0.03 0.01 -0.01 -0.04 2.34 2.26 2j42A1 GLU 280 HG3 -0.10 -0.01 -0.07 -0.04 2.34 2.12 2j42A1 SER 293 HA 0.04 -0.02 0.26 -0.75 4.49 4.02 2j42A1 SER 293 HB2 0.03 -0.03 0.05 -0.04 3.95 3.96 2j42A1 SER 293 HB3 0.02 -0.04 0.10 -0.04 3.93 3.97 2j42A1 THR 294 H 0.06 0.15 0.09 -0.55 8.28 8.04 2j42A1 THR 294 HA 0.13 0.10 0.59 -0.75 4.39 4.46 2j42A1 THR 294 HB 0.03 -0.13 0.02 -0.04 4.32 4.20 2j42A1 THR 294 HG23 -0.00 -0.01 -0.03 -0.04 1.22 1.13 2j42A1 SER 295 H 0.10 0.12 0.06 -0.55 8.46 8.20 2j42A1 SER 295 HA 0.12 0.24 0.84 -0.75 4.49 4.94 2j42A1 SER 295 HB2 0.06 -0.05 0.10 -0.04 3.95 4.02 2j42A1 SER 295 HB3 0.05 -0.01 0.11 -0.04 3.93 4.03 2j42A1 HIS 296 H 0.21 0.69 0.34 -0.55 8.41 9.10 2j42A1 HIS 296 HA 0.06 0.14 1.00 -0.75 4.63 5.07 2j42A1 HIS 296 HB2 0.11 -0.02 0.09 -0.04 3.26 3.41 2j42A1 HIS 296 HB3 0.11 -0.01 -0.07 -0.04 3.20 3.20 2j42A1 HIS 296 HD2 0.04 -0.11 -0.93 -0.04 6.97 5.93 2j42A1 HIS 296 HE1 0.03 -0.00 -0.07 -0.04 7.75 7.67 2j42A1 SER 297 H 0.01 0.17 0.17 -0.55 8.46 8.27 2j42A1 SER 297 HA 0.12 0.15 0.79 -0.75 4.49 4.80 2j42A1 SER 297 HB2 0.01 0.06 0.08 -0.04 3.95 4.06 2j42A1 SER 297 HB3 0.03 -0.00 0.12 -0.04 3.93 4.04 2j42A1 SER 298 H 0.11 0.40 0.23 -0.55 8.46 8.66 2j42A1 SER 298 HA -0.21 0.05 0.69 -0.75 4.49 4.26 2j42A1 SER 298 HB2 -0.53 -0.01 -0.05 -0.04 3.95 3.32 2j42A1 SER 298 HB3 -1.02 0.03 0.11 -0.04 3.93 3.00 2j42A1 THR 299 H -0.64 0.06 0.12 -0.55 8.28 7.27 2j42A1 THR 299 HA -0.25 0.27 0.98 -0.75 4.39 4.64 2j42A1 THR 299 HB -0.25 0.02 -0.08 -0.04 4.32 3.97 2j42A1 THR 299 HG23 -0.12 0.01 0.08 -0.04 1.22 1.15 2j42A1 ASN 300 H -0.14 0.23 0.23 -0.55 8.53 8.31 2j42A1 ASN 300 HA -0.05 0.21 0.96 -0.75 4.76 5.13 2j42A1 ASN 300 HB2 0.24 0.07 0.03 -0.04 2.88 3.18 2j42A1 ASN 300 HB3 -0.05 -0.01 0.07 -0.04 2.79 2.76 2j42A1 ASN 300 HD21 0.16 0.15 0.24 -0.04 7.03 7.53 2j42A1 ASN 300 HD22 0.25 -0.43 0.27 -0.04 7.74 7.78 2j42A1 ILE 301 H -0.07 0.42 0.18 -0.55 8.25 8.24 2j42A1 ILE 301 HA -0.13 0.21 0.81 -0.75 4.18 4.32 2j42A1 ILE 301 HB -0.05 -0.11 -0.18 -0.04 1.89 1.52 2j42A1 ILE 301 HG12 -0.11 0.10 -0.29 -0.04 1.49 1.15 2j42A1 ILE 301 HG13 -0.11 -0.22 -0.94 -0.04 1.21 -0.11 2j42A1 ILE 301 HG23 -0.09 0.03 0.01 -0.04 0.93 0.84 2j42A1 ILE 301 HD13 -0.08 -0.03 -0.24 -0.04 0.88 0.49 2j42A1 ASN 302 H -0.07 0.21 0.13 -0.55 8.53 8.26 2j42A1 ASN 302 HA 0.29 0.17 0.89 -0.75 4.76 5.35 2j42A1 ASN 302 HB2 -0.03 -0.02 0.10 -0.04 2.88 2.89 2j42A1 ASN 302 HB3 -0.04 0.02 0.14 -0.04 2.79 2.88 2j42A1 ASN 302 HD21 -0.10 0.05 0.05 -0.04 7.03 7.00 2j42A1 ASN 302 HD22 -0.06 -0.04 0.04 -0.04 7.74 7.64 2j42A1 THR 303 H 0.09 0.20 0.06 -0.55 8.28 8.08 2j42A1 THR 303 HA -0.00 0.03 0.32 -0.75 4.39 3.98 2j42A1 THR 303 HB 0.04 -0.09 -0.02 -0.04 4.32 4.20 2j42A1 THR 303 HG23 0.00 0.07 -0.16 -0.04 1.22 1.09 2j42A1 VAL 304 H -0.02 0.05 -0.03 -0.55 8.24 7.69 2j42A1 VAL 304 HA -0.00 0.14 0.44 -0.75 4.13 3.96 2j42A1 VAL 304 HB -0.07 -0.05 -0.01 -0.04 2.12 1.95 2j42A1 VAL 304 HG13 0.01 0.01 -0.05 -0.04 0.97 0.91 2j42A1 VAL 304 HG23 -0.05 0.03 -0.34 -0.04 0.95 0.55 2j42A1 GLY 305 H 0.00 0.04 -0.01 -0.55 8.43 7.92 2j42A1 GLY 305 HA2 0.01 -0.05 0.38 -0.51 4.01 3.84 2j42A1 GLY 305 HA3 0.01 0.01 0.28 -0.51 4.01 3.81 2j42A1 ALA 306 H 0.02 0.05 0.21 -0.55 8.40 8.13 2j42A1 ALA 306 HA 0.03 0.21 0.83 -0.75 4.34 4.65 2j42A1 ALA 306 HB3 0.04 0.01 0.06 -0.04 1.41 1.48 2j42A1 GLU 307 H 0.02 0.03 -0.79 -0.55 8.60 7.32 2j42A1 GLU 307 HA 0.01 0.15 0.74 -0.75 4.29 4.44 2j42A1 GLU 307 HB2 0.02 -0.13 0.32 -0.04 2.09 2.26 2j42A1 GLU 307 HB3 0.01 0.01 0.13 -0.04 1.99 2.10 2j42A1 GLU 307 HG2 0.02 -0.03 0.21 -0.04 2.34 2.50 2j42A1 GLU 307 HG3 0.01 0.00 0.03 -0.04 2.34 2.34 2j42A1 VAL 308 H 0.01 0.10 0.11 -0.55 8.24 7.91 2j42A1 VAL 308 HA 0.01 0.06 0.21 -0.75 4.13 3.65 2j42A1 VAL 308 HB 0.01 0.06 0.09 -0.04 2.12 2.24 2j42A1 VAL 308 HG13 0.01 0.01 0.04 -0.04 0.97 0.98 2j42A1 VAL 308 HG23 0.01 0.04 -0.32 -0.04 0.95 0.65 2j42A1 SER 325 HA 0.02 -0.14 0.25 -0.75 4.49 3.87 2j42A1 SER 325 HB2 0.01 0.00 -0.01 -0.04 3.95 3.91 2j42A1 SER 325 HB3 0.01 -0.06 -0.06 -0.04 3.93 3.78 2j42A1 ALA 326 H 0.01 0.04 0.08 -0.55 8.40 7.98 2j42A1 ALA 326 HA 0.02 0.26 0.58 -0.75 4.34 4.44 2j42A1 ALA 326 HB3 0.01 -0.02 0.16 -0.04 1.41 1.52 2j42A1 SER 327 H 0.01 0.21 -0.91 -0.55 8.46 7.22 2j42A1 SER 327 HA -0.02 0.17 0.83 -0.75 4.49 4.72 2j42A1 SER 327 HB2 -0.01 0.06 -0.10 -0.04 3.95 3.86 2j42A1 SER 327 HB3 -0.03 -0.16 0.07 -0.04 3.93 3.77 2j42A1 ALA 328 H -0.04 -0.21 0.18 -0.55 8.40 7.78 2j42A1 ALA 328 HA 0.02 0.10 0.34 -0.75 4.34 4.04 2j42A1 ALA 328 HB3 0.04 0.06 -0.01 -0.04 1.41 1.46 2j42A1 ASN 329 H -0.10 -0.24 0.13 -0.55 8.53 7.78 2j42A1 ASN 329 HA -0.51 0.08 0.39 -0.75 4.76 3.97 2j42A1 ASN 329 HB2 -0.20 0.12 0.23 -0.04 2.88 2.99 2j42A1 ASN 329 HB3 -0.35 0.05 0.15 -0.04 2.79 2.59 2j42A1 ASN 329 HD21 -0.09 -0.01 0.03 -0.04 7.03 6.93 2j42A1 ASN 329 HD22 -0.16 0.04 0.02 -0.04 7.74 7.60 2j42A1 TYR 330 H -0.30 0.35 0.29 -0.55 8.29 8.07 2j42A1 TYR 330 HA -0.12 0.22 0.93 -0.75 4.56 4.84 2j42A1 TYR 330 HB2 -0.09 0.10 0.07 -0.04 3.06 3.11 2j42A1 TYR 330 HB3 -0.16 0.03 0.13 -0.04 2.98 2.95 2j42A1 TYR 330 HD2 -0.08 0.11 -0.30 -0.04 7.15 6.84 2j42A1 TYR 330 HE2 -0.10 -0.08 -0.05 -0.04 6.85 6.58 2j42A1 SER 331 H -0.14 0.37 0.34 -0.55 8.46 8.48 2j42A1 SER 331 HA -0.04 0.00 0.61 -0.75 4.49 4.31 2j42A1 SER 331 HB2 -0.01 0.05 -0.48 -0.04 3.95 3.46 2j42A1 SER 331 HB3 0.01 -0.11 -0.03 -0.04 3.93 3.76 2j42A1 HIS 332 H 0.07 0.11 0.10 -0.55 8.41 8.16 2j42A1 HIS 332 HA 0.00 0.14 0.84 -0.75 4.63 4.86 2j42A1 HIS 332 HB2 0.02 0.04 0.17 -0.04 3.26 3.46 2j42A1 HIS 332 HB3 0.08 0.00 0.25 -0.04 3.20 3.49 2j42A1 HIS 332 HD2 -0.01 0.02 -0.73 -0.04 6.97 6.21 2j42A1 HIS 332 HE1 -0.25 -0.06 0.01 -0.04 7.75 7.41 2j42A1 THR 333 H 0.11 0.10 0.08 -0.55 8.28 8.02 2j42A1 THR 333 HA 0.11 -0.02 0.40 -0.75 4.39 4.13 2j42A1 THR 333 HB 0.03 0.01 -0.04 -0.04 4.32 4.27 2j42A1 THR 333 HG23 0.03 0.01 -0.10 -0.04 1.22 1.12 2j42A1 TRP 334 H 0.18 0.15 0.17 -0.55 7.97 7.92 2j42A1 TRP 334 HA -0.02 0.17 0.69 -0.75 4.62 4.69 2j42A1 TRP 334 HB2 -0.01 0.17 -0.02 -0.04 3.23 3.33 2j42A1 TRP 334 HB3 -0.00 -0.11 0.01 -0.04 3.23 3.08 2j42A1 TRP 334 HD1 -0.01 -0.30 -0.46 -0.04 7.22 6.42 2j42A1 TRP 334 HE1 0.00 -0.10 -0.13 -0.04 10.20 9.93 2j42A1 TRP 334 HE3 -0.03 -0.03 0.06 -0.04 7.59 7.56 2j42A1 TRP 334 HZ2 0.02 -0.03 -0.08 -0.04 7.44 7.30 2j42A1 TRP 334 HZ3 -0.02 0.52 -0.31 -0.04 7.13 7.28 2j42A1 TRP 334 HH2 -0.00 -0.06 -0.56 -0.04 7.19 6.53 2j42A1 GLN 335 H -0.92 0.32 0.17 -0.55 8.47 7.50 2j42A1 GLN 335 HA -0.08 0.34 0.76 -0.75 4.36 4.63 2j42A1 GLN 335 HB2 -0.17 -0.02 -0.10 -0.04 2.15 1.83 2j42A1 GLN 335 HB3 -0.33 -0.04 -0.02 -0.04 2.02 1.59 2j42A1 GLN 335 HG2 -0.10 -0.65 0.16 -0.04 2.40 1.76 2j42A1 GLN 335 HG3 -0.08 0.08 0.03 -0.04 2.39 2.39 2j42A1 GLN 335 HE21 -0.07 -0.03 -0.07 -0.04 6.97 6.76 2j42A1 GLN 335 HE22 -0.05 0.13 -0.04 -0.04 7.69 7.68 2j42A1 ASN 336 H -0.08 0.27 0.06 -0.55 8.53 8.24 2j42A1 ASN 336 HA -0.04 0.11 0.78 -0.75 4.76 4.86 2j42A1 ASN 336 HB2 0.20 -0.09 -0.31 -0.04 2.88 2.64 2j42A1 ASN 336 HB3 0.09 0.10 0.05 -0.04 2.79 2.98 2j42A1 ASN 336 HD21 0.60 0.00 -0.18 -0.04 7.03 7.42 2j42A1 ASN 336 HD22 0.22 -0.00 -0.42 -0.04 7.74 7.50 2j42A1 THR 337 H -0.04 0.24 0.12 -0.55 8.28 8.04 2j42A1 THR 337 HA -0.03 -0.02 0.47 -0.75 4.39 4.05 2j42A1 THR 337 HB -0.02 0.11 0.31 -0.04 4.32 4.67 2j42A1 THR 337 HG23 -0.04 -0.06 0.00 -0.04 1.22 1.09 2j42A1 SER 338 H 0.01 0.15 0.30 -0.55 8.46 8.38 2j42A1 SER 338 HA 0.10 0.16 0.50 -0.75 4.49 4.50 2j42A1 SER 338 HB2 0.05 0.02 0.19 -0.04 3.95 4.16 2j42A1 SER 338 HB3 0.04 0.17 0.19 -0.04 3.93 4.29 2j42A1 THR 339 H -0.01 0.16 -0.67 -0.55 8.28 7.21 2j42A1 THR 339 HA -0.01 0.12 0.69 -0.75 4.39 4.43 2j42A1 THR 339 HB -0.02 -0.01 0.04 -0.04 4.32 4.28 2j42A1 THR 339 HG23 -0.02 -0.01 -0.08 -0.04 1.22 1.07 2j42A1 VAL 340 H -0.01 0.12 0.12 -0.55 8.24 7.91 2j42A1 VAL 340 HA -0.02 0.15 0.60 -0.75 4.13 4.10 2j42A1 VAL 340 HB -0.01 -0.08 -0.08 -0.04 2.12 1.91 2j42A1 VAL 340 HG13 0.00 0.07 -0.04 -0.04 0.97 0.96 2j42A1 VAL 340 HG23 -0.01 0.01 0.11 -0.04 0.95 1.02 2j42A1 ASP 341 H -0.06 0.27 0.20 -0.55 8.40 8.26 2j42A1 ASP 341 HA -0.04 0.11 0.45 -0.75 4.63 4.39 2j42A1 ASP 341 HB2 -0.06 -0.01 0.10 -0.04 2.71 2.70 2j42A1 ASP 341 HB3 -0.05 -0.02 0.18 -0.04 2.70 2.77 2j42A1 ASP 342 H -0.02 0.04 -0.81 -0.55 8.40 7.07 2j42A1 ASP 342 HA -0.01 0.05 0.35 -0.75 4.63 4.27 2j42A1 ASP 342 HB2 -0.01 0.35 0.18 -0.04 2.71 3.19 2j42A1 ASP 342 HB3 -0.01 -0.15 -0.09 -0.04 2.70 2.41 2j42A1 THR 343 H -0.00 0.20 0.00 -0.55 8.28 7.93 2j42A1 THR 343 HA 0.00 0.17 0.50 -0.75 4.39 4.30 2j42A1 THR 343 HB 0.00 0.12 -0.15 -0.04 4.32 4.25 2j42A1 THR 343 HG23 0.01 0.02 -0.07 -0.04 1.22 1.13 2j42A1 THR 344 H 0.01 0.13 0.05 -0.55 8.28 7.92 2j42A1 THR 344 HA 0.02 0.05 0.23 -0.75 4.39 3.92 2j42A1 THR 344 HB 0.02 0.04 0.07 -0.04 4.32 4.41 2j42A1 THR 344 HG23 0.01 -0.02 -0.38 -0.04 1.22 0.79 2j42A1 SER 353 HA -0.00 -0.04 0.15 -0.75 4.49 3.84 2j42A1 SER 353 HB2 -0.00 -0.02 0.05 -0.04 3.95 3.94 2j42A1 SER 353 HB3 -0.00 0.01 0.08 -0.04 3.93 3.98 2j42A1 ILE 354 H 0.02 0.20 0.09 -0.55 8.25 8.00 2j42A1 ILE 354 HA -0.04 0.11 0.99 -0.75 4.18 4.49 2j42A1 ILE 354 HB 0.12 -0.02 -0.12 -0.04 1.89 1.82 2j42A1 ILE 354 HG12 0.09 0.07 -0.02 -0.04 1.49 1.58 2j42A1 ILE 354 HG13 0.11 -0.03 0.18 -0.04 1.21 1.42 2j42A1 ILE 354 HG23 0.05 0.01 -0.15 -0.04 0.93 0.80 2j42A1 ILE 354 HD13 0.36 0.00 -0.06 -0.04 0.88 1.14 2j42A1 ASN 355 H -0.15 0.09 0.04 -0.55 8.53 7.97 2j42A1 ASN 355 HA -0.26 0.17 0.54 -0.75 4.76 4.46 2j42A1 ASN 355 HB2 -0.17 -0.55 0.26 -0.04 2.88 2.37 2j42A1 ASN 355 HB3 -0.14 0.06 0.10 -0.04 2.79 2.77 2j42A1 ASN 355 HD21 -0.06 0.08 0.01 -0.04 7.03 7.01 2j42A1 ASN 355 HD22 -0.08 -0.08 0.00 -0.04 7.74 7.55 2j42A1 THR 356 H -0.24 -0.06 0.15 -0.55 8.28 7.59 2j42A1 THR 356 HA -0.66 0.18 0.67 -0.75 4.39 3.83 2j42A1 THR 356 HB -0.16 -0.05 -0.05 -0.04 4.32 4.02 2j42A1 THR 356 HG23 0.03 -0.01 -0.15 -0.04 1.22 1.05 2j42A1 ALA 357 H -0.09 0.09 0.16 -0.55 8.40 8.02 2j42A1 ALA 357 HA 0.00 0.16 0.63 -0.75 4.34 4.38 2j42A1 ALA 357 HB3 -0.02 0.02 0.19 -0.04 1.41 1.55 2j42A1 GLU 358 H -0.02 0.22 -0.78 -0.55 8.60 7.48 2j42A1 GLU 358 HA -0.01 0.20 0.92 -0.75 4.29 4.65 2j42A1 GLU 358 HB2 -0.04 -0.02 -0.02 -0.04 2.09 1.97 2j42A1 GLU 358 HB3 -0.03 0.08 0.06 -0.04 1.99 2.05 2j42A1 GLU 358 HG2 -0.07 -0.25 -0.35 -0.04 2.34 1.63 2j42A1 GLU 358 HG3 -0.07 -0.01 -0.01 -0.04 2.34 2.22 2j42A1 SER 359 H -0.00 0.09 0.08 -0.55 8.46 8.08 2j42A1 SER 359 HA 0.05 0.32 1.02 -0.75 4.49 5.13 2j42A1 SER 359 HB2 0.05 -0.03 0.08 -0.04 3.95 4.01 2j42A1 SER 359 HB3 0.05 -0.02 0.19 -0.04 3.93 4.11 2j42A1 ALA 360 H 0.11 0.20 0.21 -0.55 8.40 8.38 2j42A1 ALA 360 HA 0.01 -0.02 0.29 -0.75 4.34 3.86 2j42A1 ALA 360 HB3 0.05 0.09 -0.04 -0.04 1.41 1.47 2j42A1 TYR 361 H 0.13 0.40 -0.14 -0.55 8.29 8.12 2j42A1 TYR 361 HA -0.00 0.23 0.89 -0.75 4.56 4.92 2j42A1 TYR 361 HB2 0.00 0.08 0.06 -0.04 3.06 3.15 2j42A1 TYR 361 HB3 -0.00 0.03 -0.03 -0.04 2.98 2.94 2j42A1 TYR 361 HD2 0.00 0.14 -0.37 -0.04 7.15 6.88 2j42A1 TYR 361 HE2 0.00 -0.01 -0.03 -0.04 6.85 6.77 2j42A1 ILE 362 H 0.03 0.29 0.17 -0.55 8.25 8.18 2j42A1 ILE 362 HA 0.04 0.18 1.17 -0.75 4.18 4.81 2j42A1 ILE 362 HB 0.01 -0.01 -0.20 -0.04 1.89 1.65 2j42A1 ILE 362 HG12 -0.04 -0.05 -0.43 -0.04 1.49 0.93 2j42A1 ILE 362 HG13 -0.01 0.00 -0.45 -0.04 1.21 0.72 2j42A1 ILE 362 HG23 -0.03 0.05 0.02 -0.04 0.93 0.93 2j42A1 ILE 362 HD13 -0.05 -0.01 -0.19 -0.04 0.88 0.59 2j42A1 ASN 363 H 0.02 1.31 0.36 -0.55 8.53 9.67 2j42A1 ASN 363 HA -0.02 0.15 0.95 -0.75 4.76 5.09 2j42A1 ASN 363 HB2 0.02 -0.02 0.02 -0.04 2.88 2.85 2j42A1 ASN 363 HB3 0.01 -0.05 0.18 -0.04 2.79 2.89 2j42A1 ASN 363 HD21 -0.00 0.10 -0.10 -0.04 7.03 6.98 2j42A1 ASN 363 HD22 0.01 -0.07 -0.06 -0.04 7.74 7.58 2j42A1 PRO 364 HA -0.04 0.24 1.00 -0.51 4.44 5.12 2j42A1 PRO 364 HB2 -0.14 0.05 -0.10 -0.04 2.28 2.05 2j42A1 PRO 364 HB3 -0.12 0.01 -0.04 -0.04 2.02 1.83 2j42A1 PRO 364 HG2 -0.08 -0.06 0.07 -0.04 2.03 1.93 2j42A1 PRO 364 HG3 -0.09 0.08 -0.07 -0.04 2.03 1.91 2j42A1 PRO 364 HD2 -0.04 0.08 0.27 -0.04 3.68 3.94 2j42A1 PRO 364 HD3 -0.04 0.24 -0.59 -0.04 3.65 3.21 2j42A1 ASN 365 H -0.04 0.43 0.27 -0.55 8.53 8.64 2j42A1 ASN 365 HA -0.03 0.08 0.92 -0.75 4.76 4.98 2j42A1 ASN 365 HB2 -0.00 0.03 -0.13 -0.04 2.88 2.73 2j42A1 ASN 365 HB3 -0.01 -0.03 -0.13 -0.04 2.79 2.59 2j42A1 ASN 365 HD21 0.03 0.03 -0.04 -0.04 7.03 7.01 2j42A1 ASN 365 HD22 0.02 -0.00 -0.07 -0.04 7.74 7.65 2j42A1 ILE 366 H -0.04 0.67 0.19 -0.55 8.25 8.52 2j42A1 ILE 366 HA -0.03 0.08 0.99 -0.75 4.18 4.47 2j42A1 ILE 366 HB -0.10 0.22 -0.03 -0.04 1.89 1.93 2j42A1 ILE 366 HG12 -0.09 0.08 -0.09 -0.04 1.49 1.35 2j42A1 ILE 366 HG13 -0.24 0.06 -0.37 -0.04 1.21 0.61 2j42A1 ILE 366 HG23 -0.12 -0.02 -0.35 -0.04 0.93 0.40 2j42A1 ILE 366 HD13 -0.15 -0.03 -0.13 -0.04 0.88 0.52 2j42A1 ARG 367 H -0.02 0.67 0.36 -0.55 8.46 8.92 2j42A1 ARG 367 HA 0.04 0.22 0.95 -0.75 4.34 4.79 2j42A1 ARG 367 HB2 0.04 0.09 -0.04 -0.04 1.90 1.96 2j42A1 ARG 367 HB3 0.02 -0.11 -0.16 -0.04 1.80 1.52 2j42A1 ARG 367 HG2 0.06 -0.07 -0.08 -0.04 1.67 1.54 2j42A1 ARG 367 HG3 0.09 0.22 -0.40 -0.04 1.67 1.54 2j42A1 ARG 367 HD2 0.03 -0.05 -0.11 -0.04 3.22 3.06 2j42A1 ARG 367 HD3 0.02 0.01 -0.09 -0.04 3.22 3.12 2j42A1 TYR 368 H 0.34 0.48 0.28 -0.55 8.29 8.84 2j42A1 TYR 368 HA 0.14 0.14 0.88 -0.75 4.56 4.96 2j42A1 TYR 368 HB2 0.28 -0.03 0.26 -0.04 3.06 3.53 2j42A1 TYR 368 HB3 0.13 -0.01 0.18 -0.04 2.98 3.24 2j42A1 TYR 368 HD2 0.13 0.20 0.15 -0.04 7.15 7.59 2j42A1 TYR 368 HE2 0.11 0.00 -0.05 -0.04 6.85 6.87 2j42A1 TYR 369 H 0.29 0.45 0.31 -0.55 8.29 8.79 2j42A1 TYR 369 HA 0.08 0.23 0.75 -0.75 4.56 4.86 2j42A1 TYR 369 HB2 0.10 0.02 -0.34 -0.04 3.06 2.80 2j42A1 TYR 369 HB3 0.12 -0.05 -0.13 -0.04 2.98 2.88 2j42A1 TYR 369 HD2 0.03 -0.01 -0.32 -0.04 7.15 6.80 2j42A1 TYR 369 HE2 0.00 0.03 -0.11 -0.04 6.85 6.74 2j42A1 ASN 370 H 0.12 0.40 0.08 -0.55 8.53 8.58 2j42A1 ASN 370 HA 0.03 0.12 0.92 -0.75 4.76 5.08 2j42A1 ASN 370 HB2 -0.01 -0.00 -0.07 -0.04 2.88 2.76 2j42A1 ASN 370 HB3 -0.00 0.01 0.34 -0.04 2.79 3.09 2j42A1 ASN 370 HD21 -0.13 0.04 0.13 -0.04 7.03 7.03 2j42A1 ASN 370 HD22 -0.09 0.77 0.02 -0.04 7.74 8.39 2j42A1 THR 371 H 0.01 0.46 0.08 -0.55 8.28 8.28 2j42A1 THR 371 HA 0.21 0.25 0.94 -0.75 4.39 5.04 2j42A1 THR 371 HB 0.01 0.13 0.08 -0.04 4.32 4.50 2j42A1 THR 371 HG23 -0.20 0.01 0.07 -0.04 1.22 1.06 2j42A1 GLY 372 H -0.09 -0.15 -0.26 -0.55 8.43 7.38 2j42A1 GLY 372 HA2 -0.20 0.35 0.56 -0.51 4.01 4.21 2j42A1 GLY 372 HA3 -0.28 -0.36 0.50 -0.51 4.01 3.36 2j42A1 THR 373 H -0.09 0.67 0.35 -0.55 8.28 8.67 2j42A1 THR 373 HA 0.04 0.18 0.91 -0.75 4.39 4.76 2j42A1 THR 373 HB 0.10 0.03 0.18 -0.04 4.32 4.59 2j42A1 THR 373 HG23 0.08 0.03 -0.05 -0.04 1.22 1.24 2j42A1 ALA 374 H -0.05 0.01 -0.22 -0.55 8.40 7.59 2j42A1 ALA 374 HA 0.14 0.17 0.65 -0.75 4.34 4.55 2j42A1 ALA 374 HB3 0.32 -0.00 -0.33 -0.04 1.41 1.36 2j42A1 PRO 375 HA -0.08 0.29 0.76 -0.51 4.44 4.90 2j42A1 PRO 375 HB2 -0.30 0.00 -0.21 -0.04 2.28 1.73 2j42A1 PRO 375 HB3 -0.16 0.09 -0.14 -0.04 2.02 1.77 2j42A1 PRO 375 HG2 0.33 -0.05 0.00 -0.04 2.03 2.27 2j42A1 PRO 375 HG3 0.08 0.01 -0.19 -0.04 2.03 1.89 2j42A1 PRO 375 HD2 0.27 0.17 0.13 -0.04 3.68 4.21 2j42A1 PRO 375 HD3 0.08 0.31 -0.44 -0.04 3.65 3.56 2j42A1 VAL 376 H -0.16 0.34 0.10 -0.55 8.24 7.98 2j42A1 VAL 376 HA 0.27 0.15 0.76 -0.75 4.13 4.56 2j42A1 VAL 376 HB -0.15 0.07 0.09 -0.04 2.12 2.10 2j42A1 VAL 376 HG13 -0.06 -0.05 -0.25 -0.04 0.97 0.56 2j42A1 VAL 376 HG23 -0.29 -0.03 -0.08 -0.04 0.95 0.51 2j42A1 TYR 377 H 0.41 0.05 0.08 -0.55 8.29 8.28 2j42A1 TYR 377 HA 0.13 0.20 0.99 -0.75 4.56 5.12 2j42A1 TYR 377 HB2 0.18 0.17 0.07 -0.04 3.06 3.44 2j42A1 TYR 377 HB3 0.12 -0.02 -0.08 -0.04 2.98 2.96 2j42A1 TYR 377 HD2 0.27 0.06 -0.07 -0.04 7.15 7.37 2j42A1 TYR 377 HE2 0.28 0.01 -0.14 -0.04 6.85 6.96 2j42A1 ASN 378 H 0.31 -0.00 0.23 -0.55 8.53 8.52 2j42A1 ASN 378 HA 0.10 0.21 0.51 -0.75 4.76 4.83 2j42A1 ASN 378 HB2 0.15 -0.03 0.29 -0.04 2.88 3.26 2j42A1 ASN 378 HB3 0.16 -0.39 0.44 -0.04 2.79 2.95 2j42A1 ASN 378 HD21 0.04 0.09 0.02 -0.04 7.03 7.14 2j42A1 ASN 378 HD22 0.07 0.04 0.02 -0.04 7.74 7.83 2j42A1 VAL 379 H 0.15 -0.20 0.26 -0.55 8.24 7.89 2j42A1 VAL 379 HA 0.05 0.07 0.29 -0.75 4.13 3.78 2j42A1 VAL 379 HB 0.17 -0.08 -0.40 -0.04 2.12 1.77 2j42A1 VAL 379 HG13 0.13 0.03 -0.56 -0.04 0.97 0.53 2j42A1 VAL 379 HG23 0.11 0.02 -0.07 -0.04 0.95 0.97 2j42A1 THR 380 H 0.02 0.15 -0.11 -0.55 8.28 7.80 2j42A1 THR 380 HA -0.08 0.20 0.83 -0.75 4.39 4.58 2j42A1 THR 380 HB -0.00 -0.15 0.08 -0.04 4.32 4.21 2j42A1 THR 380 HG23 -0.32 0.03 0.01 -0.04 1.22 0.90 2j42A1 PRO 381 HA 0.24 -0.07 0.33 -0.51 4.44 4.43 2j42A1 PRO 381 HB2 0.20 -0.02 -0.15 -0.04 2.28 2.27 2j42A1 PRO 381 HB3 0.19 0.06 0.11 -0.04 2.02 2.34 2j42A1 PRO 381 HG2 0.25 0.05 -0.09 -0.04 2.03 2.20 2j42A1 PRO 381 HG3 0.07 -0.01 0.03 -0.04 2.03 2.08 2j42A1 PRO 381 HD2 -0.01 0.13 0.14 -0.04 3.68 3.90 2j42A1 PRO 381 HD3 0.02 0.16 0.16 -0.04 3.65 3.94 2j42A1 THR 382 H 0.26 0.04 0.13 -0.55 8.28 8.16 2j42A1 THR 382 HA 0.11 0.42 1.06 -0.75 4.39 5.22 2j42A1 THR 382 HB 0.08 -0.08 0.12 -0.04 4.32 4.39 2j42A1 THR 382 HG23 0.07 0.00 -0.21 -0.04 1.22 1.05 2j42A1 THR 383 H 0.07 0.41 0.15 -0.55 8.28 8.36 2j42A1 THR 383 HA 0.05 0.07 0.57 -0.75 4.39 4.34 2j42A1 THR 383 HB -0.00 -0.02 0.00 -0.04 4.32 4.26 2j42A1 THR 383 HG23 -0.01 0.01 -0.31 -0.04 1.22 0.87 2j42A1 THR 384 H 0.02 0.16 -0.24 -0.55 8.28 7.67 2j42A1 THR 384 HA 0.01 0.22 1.09 -0.75 4.39 4.95 2j42A1 THR 384 HB 0.01 -0.05 0.18 -0.04 4.32 4.42 2j42A1 THR 384 HG23 0.01 0.02 -0.06 -0.04 1.22 1.14 2j42A1 ILE 385 H -0.02 0.31 0.17 -0.55 8.25 8.16 2j42A1 ILE 385 HA -0.04 0.44 0.74 -0.75 4.18 4.56 2j42A1 ILE 385 HB -0.05 -0.12 0.08 -0.04 1.89 1.76 2j42A1 ILE 385 HG12 -0.10 0.03 -0.12 -0.04 1.49 1.26 2j42A1 ILE 385 HG13 -0.05 -0.14 -0.13 -0.04 1.21 0.84 2j42A1 ILE 385 HG23 -0.11 0.01 -0.15 -0.04 0.93 0.64 2j42A1 ILE 385 HD13 -0.04 0.09 -0.28 -0.04 0.88 0.61 2j42A1 VAL 386 H -0.03 0.68 0.30 -0.55 8.24 8.63 2j42A1 VAL 386 HA -0.02 0.12 0.58 -0.75 4.13 4.06 2j42A1 VAL 386 HB -0.00 -0.06 -0.43 -0.04 2.12 1.58 2j42A1 VAL 386 HG13 -0.00 -0.03 -0.62 -0.04 0.97 0.28 2j42A1 VAL 386 HG23 -0.00 0.06 -0.47 -0.04 0.95 0.50 2j42A1 ILE 387 H -0.01 0.63 0.02 -0.55 8.25 8.34 2j42A1 ILE 387 HA 0.01 0.17 0.87 -0.75 4.18 4.47 2j42A1 ILE 387 HB -0.01 -0.00 0.15 -0.04 1.89 1.99 2j42A1 ILE 387 HG12 -0.02 0.02 -0.14 -0.04 1.49 1.31 2j42A1 ILE 387 HG13 -0.02 0.01 -0.03 -0.04 1.21 1.13 2j42A1 ILE 387 HG23 0.00 0.05 -0.02 -0.04 0.93 0.92 2j42A1 ILE 387 HD13 -0.03 0.16 -0.33 -0.04 0.88 0.65 2j42A1 ASP 388 H 0.02 0.21 0.03 -0.55 8.40 8.11 2j42A1 ASP 388 HA 0.01 0.05 0.38 -0.75 4.63 4.32 2j42A1 ASP 388 HB2 0.00 0.09 -0.33 -0.04 2.71 2.43 2j42A1 ASP 388 HB3 0.00 -0.03 0.23 -0.04 2.70 2.86 2j42A1 LYS 389 H 0.00 -0.01 0.52 -0.55 8.42 8.37 2j42A1 LYS 389 HA 0.00 0.11 0.48 -0.75 4.32 4.16 2j42A1 LYS 389 HB2 0.00 -0.06 -0.12 -0.04 1.87 1.66 2j42A1 LYS 389 HB3 0.00 -0.01 0.02 -0.04 1.79 1.76 2j42A1 LYS 389 HG2 0.00 0.16 -0.01 -0.04 1.46 1.57 2j42A1 LYS 389 HG3 0.00 -0.04 -0.03 -0.04 1.46 1.36 2j42A1 LYS 389 HD2 0.00 -0.03 0.06 -0.04 1.69 1.67 2j42A1 LYS 389 HD3 0.00 0.01 0.10 -0.04 1.68 1.75 2j42A1 LYS 389 HE2 0.00 0.01 0.01 -0.04 2.99 2.97 2j42A1 LYS 389 HE3 0.00 -0.00 0.01 -0.04 2.99 2.96 2j42A1 GLN 390 H -0.00 0.26 0.39 -0.55 8.47 8.57 2j42A1 GLN 390 HA -0.00 0.06 0.73 -0.75 4.36 4.40 2j42A1 GLN 390 HB2 -0.00 0.02 0.32 -0.04 2.15 2.45 2j42A1 GLN 390 HB3 -0.00 0.08 0.13 -0.04 2.02 2.19 2j42A1 GLN 390 HG2 -0.00 0.02 0.04 -0.04 2.40 2.42 2j42A1 GLN 390 HG3 -0.00 -0.12 0.13 -0.04 2.39 2.36 2j42A1 GLN 390 HE21 -0.01 0.00 -0.01 -0.04 6.97 6.91 2j42A1 GLN 390 HE22 -0.01 -0.02 0.04 -0.04 7.69 7.66 2j42A1 SER 391 H -0.00 0.15 0.21 -0.55 8.46 8.27 2j42A1 SER 391 HA -0.01 0.11 0.47 -0.75 4.49 4.30 2j42A1 SER 391 HB2 -0.00 -0.05 0.09 -0.04 3.95 3.95 2j42A1 SER 391 HB3 -0.01 -0.01 0.06 -0.04 3.93 3.93 2j42A1 VAL 392 H -0.02 0.23 0.26 -0.55 8.24 8.17 2j42A1 VAL 392 HA -0.01 0.16 0.79 -0.75 4.13 4.31 2j42A1 VAL 392 HB -0.02 0.08 0.01 -0.04 2.12 2.14 2j42A1 VAL 392 HG13 -0.02 -0.01 -0.26 -0.04 0.97 0.63 2j42A1 VAL 392 HG23 -0.05 0.02 -0.16 -0.04 0.95 0.72 2j42A1 ALA 393 H -0.03 0.29 0.30 -0.55 8.40 8.41 2j42A1 ALA 393 HA -0.02 0.17 0.64 -0.75 4.34 4.37 2j42A1 ALA 393 HB3 -0.04 0.04 -0.06 -0.04 1.41 1.31 2j42A1 THR 394 H -0.01 0.32 0.20 -0.55 8.28 8.23 2j42A1 THR 394 HA -0.00 0.16 1.01 -0.75 4.39 4.80 2j42A1 THR 394 HB 0.00 -0.02 0.09 -0.04 4.32 4.36 2j42A1 THR 394 HG23 0.02 0.07 -0.16 -0.04 1.22 1.10 2j42A1 ILE 395 H 0.01 0.34 0.13 -0.55 8.25 8.18 2j42A1 ILE 395 HA 0.02 0.22 0.78 -0.75 4.18 4.44 2j42A1 ILE 395 HB 0.02 -0.16 0.20 -0.04 1.89 1.91 2j42A1 ILE 395 HG12 -0.04 0.07 -0.08 -0.04 1.49 1.40 2j42A1 ILE 395 HG13 -0.02 -0.03 -0.24 -0.04 1.21 0.87 2j42A1 ILE 395 HG23 0.06 0.04 -0.11 -0.04 0.93 0.88 2j42A1 ILE 395 HD13 -0.05 -0.01 -0.14 -0.04 0.88 0.64 2j42A1 LYS 396 H 0.02 0.30 0.08 -0.55 8.42 8.27 2j42A1 LYS 396 HA 0.03 -0.05 0.48 -0.75 4.32 4.03 2j42A1 LYS 396 HB2 0.01 0.03 0.16 -0.04 1.87 2.04 2j42A1 LYS 396 HB3 0.01 0.05 -0.04 -0.04 1.79 1.77 2j42A1 LYS 396 HG2 -0.01 -0.02 0.01 -0.04 1.46 1.39 2j42A1 LYS 396 HG3 0.00 -0.05 -0.05 -0.04 1.46 1.32 2j42A1 LYS 396 HD2 -0.00 0.05 0.04 -0.04 1.69 1.74 2j42A1 LYS 396 HD3 -0.01 -0.01 0.01 -0.04 1.68 1.63 2j42A1 LYS 396 HE2 -0.01 0.03 0.01 -0.04 2.99 2.98 2j42A1 LYS 396 HE3 -0.01 -0.02 0.00 -0.04 2.99 2.92 2j42A1 GLY 397 H 0.06 0.15 0.24 -0.55 8.43 8.34 2j42A1 GLY 397 HA2 0.11 0.03 0.54 -0.51 4.01 4.18 2j42A1 GLY 397 HA3 0.07 0.24 0.38 -0.51 4.01 4.19 2j42A1 GLN 398 H 0.05 0.17 0.17 -0.55 8.47 8.32 2j42A1 GLN 398 HA 0.02 0.04 0.66 -0.75 4.36 4.33 2j42A1 GLN 398 HB2 0.05 0.00 0.18 -0.04 2.15 2.34 2j42A1 GLN 398 HB3 0.03 0.05 0.08 -0.04 2.02 2.14 2j42A1 GLN 398 HG2 0.03 0.01 0.00 -0.04 2.40 2.40 2j42A1 GLN 398 HG3 0.02 -0.02 -0.01 -0.04 2.39 2.35 2j42A1 GLN 398 HE21 0.01 -0.05 -0.01 -0.04 6.97 6.87 2j42A1 GLN 398 HE22 0.01 0.02 -0.05 -0.04 7.69 7.63 2j42A1 GLU 399 H 0.01 0.16 0.19 -0.55 8.60 8.41 2j42A1 GLU 399 HA 0.01 0.16 0.45 -0.75 4.29 4.15 2j42A1 GLU 399 HB2 0.01 0.04 0.00 -0.04 2.09 2.11 2j42A1 GLU 399 HB3 0.03 -0.12 -0.00 -0.04 1.99 1.85 2j42A1 GLU 399 HG2 0.02 -0.25 -0.01 -0.04 2.34 2.06 2j42A1 GLU 399 HG3 -0.00 0.23 0.07 -0.04 2.34 2.60 2j42A1 SER 400 H 0.03 0.10 0.01 -0.55 8.46 8.06 2j42A1 SER 400 HA 0.03 -0.04 0.29 -0.75 4.49 4.02 2j42A1 SER 400 HB2 0.01 0.36 0.09 -0.04 3.95 4.38 2j42A1 SER 400 HB3 0.02 -0.01 0.18 -0.04 3.93 4.07 2j42A1 LEU 401 H 0.01 0.25 -0.44 -0.55 8.37 7.64 2j42A1 LEU 401 HA 0.02 0.06 0.57 -0.75 4.35 4.24 2j42A1 LEU 401 HB2 0.03 -0.04 -0.04 -0.04 1.64 1.55 2j42A1 LEU 401 HB3 0.02 0.08 -0.24 -0.04 1.64 1.46 2j42A1 LEU 401 HG 0.02 0.10 -0.24 -0.04 1.64 1.48 2j42A1 LEU 401 HD13 0.05 -0.02 -0.07 -0.04 0.93 0.86 2j42A1 LEU 401 HD23 0.02 -0.01 -0.10 -0.04 0.89 0.76 2j42A1 ILE 402 H 0.02 0.27 0.02 -0.55 8.25 8.01 2j42A1 ILE 402 HA 0.09 0.08 0.49 -0.75 4.18 4.08 2j42A1 ILE 402 HB -0.24 0.01 -0.04 -0.04 1.89 1.57 2j42A1 ILE 402 HG12 -0.00 -0.06 -0.11 -0.04 1.49 1.27 2j42A1 ILE 402 HG13 -0.03 -0.05 -0.45 -0.04 1.21 0.65 2j42A1 ILE 402 HG23 -0.15 0.01 -0.27 -0.04 0.93 0.48 2j42A1 ILE 402 HD13 -0.04 0.08 -0.23 -0.04 0.88 0.66 2j42A1 GLY 403 H 0.25 0.16 0.08 -0.55 8.43 8.37 2j42A1 GLY 403 HA2 0.03 0.04 0.44 -0.51 4.01 4.01 2j42A1 GLY 403 HA3 0.07 0.02 0.35 -0.51 4.01 3.94 2j42A1 ASP 404 H 0.10 0.20 -0.03 -0.55 8.40 8.13 2j42A1 ASP 404 HA -0.24 0.12 0.66 -0.75 4.63 4.42 2j42A1 ASP 404 HB2 -0.08 -0.01 -0.23 -0.04 2.71 2.35 2j42A1 ASP 404 HB3 -0.01 0.03 0.01 -0.04 2.70 2.69 2j42A1 TYR 405 H -0.57 0.08 0.07 -0.55 8.29 7.32 2j42A1 TYR 405 HA -0.13 0.10 0.30 -0.75 4.56 4.08 2j42A1 TYR 405 HB2 -0.35 0.07 -0.04 -0.04 3.06 2.70 2j42A1 TYR 405 HB3 -0.16 -0.00 0.10 -0.04 2.98 2.87 2j42A1 TYR 405 HD2 0.12 -0.02 -0.13 -0.04 7.15 7.08 2j42A1 TYR 405 HE2 0.07 0.01 -0.04 -0.04 6.85 6.86 2j42A1 LEU 406 H -0.10 0.37 0.09 -0.55 8.37 8.18 2j42A1 LEU 406 HA 0.02 0.20 0.63 -0.75 4.35 4.45 2j42A1 LEU 406 HB2 -0.17 0.02 0.04 -0.04 1.64 1.49 2j42A1 LEU 406 HB3 -0.11 -0.17 0.21 -0.04 1.64 1.52 2j42A1 LEU 406 HG 0.00 0.14 -0.21 -0.04 1.64 1.53 2j42A1 LEU 406 HD13 0.04 0.01 -0.21 -0.04 0.93 0.72 2j42A1 LEU 406 HD23 -0.04 -0.02 -0.06 -0.04 0.89 0.73 2j42A1 ASN 407 H 0.08 0.31 -0.27 -0.55 8.53 8.10 2j42A1 ASN 407 HA -0.20 0.03 0.21 -0.75 4.76 4.05 2j42A1 ASN 407 HB2 -0.04 0.12 -0.23 -0.04 2.88 2.70 2j42A1 ASN 407 HB3 -0.11 0.01 -0.02 -0.04 2.79 2.63 2j42A1 ASN 407 HD21 0.14 -0.01 -0.01 -0.04 7.03 7.11 2j42A1 ASN 407 HD22 0.13 0.02 -0.04 -0.04 7.74 7.81 2j42A1 PRO 408 HA -0.04 0.02 0.42 -0.51 4.44 4.33 2j42A1 PRO 408 HB2 -0.02 0.05 0.04 -0.04 2.28 2.31 2j42A1 PRO 408 HB3 -0.01 0.02 -0.17 -0.04 2.02 1.83 2j42A1 PRO 408 HG2 -0.02 0.53 -0.26 -0.04 2.03 2.24 2j42A1 PRO 408 HG3 -0.02 -0.12 -0.70 -0.04 2.03 1.15 2j42A1 PRO 408 HD2 -0.11 0.11 0.06 -0.04 3.68 3.70 2j42A1 PRO 408 HD3 -0.15 -0.04 -0.02 -0.04 3.65 3.41 2j42A1 GLY 409 H -0.00 0.34 0.47 -0.55 8.43 8.69 2j42A1 GLY 409 HA2 -0.00 0.11 0.47 -0.51 4.01 4.07 2j42A1 GLY 409 HA3 -0.01 0.02 0.58 -0.51 4.01 4.09 2j42A1 GLY 410 H -0.04 0.70 -0.01 -0.55 8.43 8.53 2j42A1 GLY 410 HA2 -0.06 0.11 0.75 -0.51 4.01 4.30 2j42A1 GLY 410 HA3 -0.01 -0.05 0.16 -0.51 4.01 3.59 2j42A1 THR 411 H 0.00 0.07 0.14 -0.55 8.28 7.94 2j42A1 THR 411 HA 0.06 0.25 0.84 -0.75 4.39 4.78 2j42A1 THR 411 HB 0.04 0.14 0.10 -0.04 4.32 4.55 2j42A1 THR 411 HG23 -0.13 -0.01 -0.11 -0.04 1.22 0.93 2j42A1 TYR 412 H 0.26 0.20 0.08 -0.55 8.29 8.28 2j42A1 TYR 412 HA 0.04 -0.00 0.81 -0.75 4.56 4.65 2j42A1 TYR 412 HB2 -0.01 0.11 -0.15 -0.04 3.06 2.98 2j42A1 TYR 412 HB3 0.04 -0.09 0.09 -0.04 2.98 2.99 2j42A1 TYR 412 HD2 -0.37 0.00 0.06 -0.04 7.15 6.81 2j42A1 TYR 412 HE2 -0.19 -0.17 0.05 -0.04 6.85 6.50 2j42A1 PRO 413 HA -0.02 0.08 0.35 -0.51 4.44 4.34 2j42A1 PRO 413 HB2 -0.05 0.12 -0.09 -0.04 2.28 2.22 2j42A1 PRO 413 HB3 -0.10 -0.04 0.10 -0.04 2.02 1.94 2j42A1 PRO 413 HG2 -0.08 0.51 -0.07 -0.04 2.03 2.35 2j42A1 PRO 413 HG3 -0.20 -0.02 0.06 -0.04 2.03 1.83 2j42A1 PRO 413 HD2 -0.05 0.02 -0.04 -0.04 3.68 3.57 2j42A1 PRO 413 HD3 -0.17 0.12 0.53 -0.04 3.65 4.09 2j42A1 ILE 414 H 0.02 0.06 0.07 -0.55 8.25 7.85 2j42A1 ILE 414 HA 0.02 0.14 0.55 -0.75 4.18 4.14 2j42A1 ILE 414 HB 0.04 0.12 0.13 -0.04 1.89 2.14 2j42A1 ILE 414 HG12 0.01 -0.02 0.07 -0.04 1.49 1.51 2j42A1 ILE 414 HG13 0.00 -0.07 0.22 -0.04 1.21 1.32 2j42A1 ILE 414 HG23 0.01 -0.33 -0.11 -0.04 0.93 0.47 2j42A1 ILE 414 HD13 0.03 0.04 0.06 -0.04 0.88 0.97 2j42A1 ILE 415 H -0.00 0.17 0.14 -0.55 8.25 8.01 2j42A1 ILE 415 HA -0.00 0.15 0.32 -0.75 4.18 3.90 2j42A1 ILE 415 HB -0.02 -0.01 0.14 -0.04 1.89 1.97 2j42A1 ILE 415 HG12 -0.01 -0.01 0.05 -0.04 1.49 1.49 2j42A1 ILE 415 HG13 -0.00 0.04 0.11 -0.04 1.21 1.31 2j42A1 ILE 415 HG23 -0.01 -0.01 -0.19 -0.04 0.93 0.68 2j42A1 ILE 415 HD13 -0.01 0.01 0.01 -0.04 0.88 0.84 2j42A1 GLY 416 H 0.00 -0.10 -0.79 -0.55 8.43 6.99 2j42A1 GLY 416 HA2 0.00 0.10 0.46 -0.51 4.01 4.06 2j42A1 GLY 416 HA3 0.00 -0.05 0.24 -0.51 4.01 3.69 2j42A1 GLU 417 H -0.00 0.56 -0.41 -0.55 8.60 8.19 2j42A1 GLU 417 HA -0.01 0.10 0.66 -0.75 4.29 4.29 2j42A1 GLU 417 HB2 -0.02 -0.00 -0.03 -0.04 2.09 1.99 2j42A1 GLU 417 HB3 -0.02 0.02 0.18 -0.04 1.99 2.13 2j42A1 GLU 417 HG2 -0.01 0.10 -0.11 -0.04 2.34 2.28 2j42A1 GLU 417 HG3 -0.00 -0.22 -0.63 -0.04 2.34 1.45 2j42A1 PRO 418 HA -0.01 0.15 0.70 -0.51 4.44 4.77 2j42A1 PRO 418 HB2 -0.02 0.05 0.09 -0.04 2.28 2.36 2j42A1 PRO 418 HB3 -0.01 -0.01 0.08 -0.04 2.02 2.04 2j42A1 PRO 418 HG2 -0.01 -0.01 0.06 -0.04 2.03 2.04 2j42A1 PRO 418 HG3 -0.01 0.04 -0.04 -0.04 2.03 1.98 2j42A1 PRO 418 HD2 -0.01 0.09 0.22 -0.04 3.68 3.93 2j42A1 PRO 418 HD3 -0.01 0.17 0.00 -0.04 3.65 3.77 2j42A1 PRO 419 HA -0.02 0.12 0.28 -0.51 4.44 4.31 2j42A1 PRO 419 HB2 -0.01 -0.08 -0.12 -0.04 2.28 2.04 2j42A1 PRO 419 HB3 0.00 0.05 -0.07 -0.04 2.02 1.96 2j42A1 PRO 419 HG2 -0.00 -0.03 -0.09 -0.04 2.03 1.87 2j42A1 PRO 419 HG3 0.01 0.04 -0.03 -0.04 2.03 2.01 2j42A1 PRO 419 HD2 -0.00 0.04 0.18 -0.04 3.68 3.86 2j42A1 PRO 419 HD3 -0.00 0.21 0.15 -0.04 3.65 3.96 2j42A1 MET 420 H -0.02 0.51 0.21 -0.55 8.47 8.62 2j42A1 MET 420 HA -0.02 0.12 0.96 -0.75 4.52 4.82 2j42A1 MET 420 HB2 -0.00 0.09 0.26 -0.04 2.15 2.46 2j42A1 MET 420 HB3 -0.00 0.00 0.03 -0.04 2.03 2.02 2j42A1 MET 420 HG2 -0.13 0.03 -0.11 -0.04 2.63 2.38 2j42A1 MET 420 HG3 -0.14 -0.05 0.01 -0.04 2.56 2.35 2j42A1 MET 420 HE3 -0.06 -0.03 0.02 -0.04 2.10 1.98 2j42A1 ALA 421 H -0.01 0.15 0.08 -0.55 8.40 8.06 2j42A1 ALA 421 HA -0.02 0.02 0.82 -0.75 4.34 4.40 2j42A1 ALA 421 HB3 -0.01 -0.01 -0.11 -0.04 1.41 1.24 2j42A1 LEU 422 H -0.04 0.60 0.39 -0.55 8.37 8.78 2j42A1 LEU 422 HA -0.01 0.04 0.41 -0.75 4.35 4.04 2j42A1 LEU 422 HB2 -0.05 0.01 0.17 -0.04 1.64 1.73 2j42A1 LEU 422 HB3 -0.03 -0.00 0.04 -0.04 1.64 1.60 2j42A1 LEU 422 HG -0.07 0.04 -0.02 -0.04 1.64 1.54 2j42A1 LEU 422 HD13 -0.08 -0.02 -0.10 -0.04 0.93 0.69 2j42A1 LEU 422 HD23 -0.04 -0.00 -0.03 -0.04 0.89 0.77 2j42A1 ASN 423 H -0.03 0.11 -0.20 -0.55 8.53 7.87 2j42A1 ASN 423 HA -0.02 0.23 0.99 -0.75 4.76 5.20 2j42A1 ASN 423 HB2 -0.03 -0.07 0.21 -0.04 2.88 2.95 2j42A1 ASN 423 HB3 -0.04 0.01 0.23 -0.04 2.79 2.95 2j42A1 ASN 423 HD21 -0.07 -0.12 0.09 -0.04 7.03 6.88 2j42A1 ASN 423 HD22 -0.06 0.11 0.13 -0.04 7.74 7.87 2j42A1 THR 424 H -0.01 0.43 -0.34 -0.55 8.28 7.82 2j42A1 THR 424 HA -0.01 -0.03 0.31 -0.75 4.39 3.91 2j42A1 THR 424 HB -0.00 -0.03 -0.04 -0.04 4.32 4.20 2j42A1 THR 424 HG23 -0.01 -0.07 0.12 -0.04 1.22 1.22 2j42A1 MET 425 H -0.00 0.12 0.07 -0.55 8.47 8.11 2j42A1 MET 425 HA -0.00 0.27 0.60 -0.75 4.52 4.63 2j42A1 MET 425 HB2 0.00 -0.01 0.10 -0.04 2.15 2.20 2j42A1 MET 425 HB3 0.00 0.00 0.07 -0.04 2.03 2.06 2j42A1 MET 425 HG2 0.00 0.03 -0.11 -0.04 2.63 2.51 2j42A1 MET 425 HG3 0.01 -0.02 -0.00 -0.04 2.56 2.50 2j42A1 MET 425 HE3 0.01 0.00 -0.05 -0.04 2.10 2.03 2j42A1 LEU 432 HA -0.12 -0.03 0.23 -0.75 4.35 3.67 2j42A1 LEU 432 HB2 -0.18 -0.04 0.01 -0.04 1.64 1.39 2j42A1 LEU 432 HB3 -0.31 -0.02 -0.04 -0.04 1.64 1.23 2j42A1 LEU 432 HG -0.16 0.02 0.07 -0.04 1.64 1.53 2j42A1 LEU 432 HD13 -0.30 -0.01 0.00 -0.04 0.93 0.58 2j42A1 LEU 432 HD23 -0.36 0.00 0.01 -0.04 0.89 0.50 2j42A1 ILE 433 H -0.10 0.10 0.13 -0.55 8.25 7.83 2j42A1 ILE 433 HA -0.04 0.32 1.04 -0.75 4.18 4.74 2j42A1 ILE 433 HB -0.04 -0.05 0.16 -0.04 1.89 1.91 2j42A1 ILE 433 HG12 -0.04 0.09 -0.17 -0.04 1.49 1.33 2j42A1 ILE 433 HG13 -0.05 -0.02 -0.14 -0.04 1.21 0.95 2j42A1 ILE 433 HG23 -0.03 0.03 -0.22 -0.04 0.93 0.67 2j42A1 ILE 433 HD13 -0.06 -0.03 -0.11 -0.04 0.88 0.65 2j42A1 PRO 434 HA 0.06 0.32 0.78 -0.51 4.44 5.09 2j42A1 PRO 434 HB2 0.04 -0.07 0.03 -0.04 2.28 2.24 2j42A1 PRO 434 HB3 0.04 0.01 0.06 -0.04 2.02 2.08 2j42A1 PRO 434 HG2 0.01 -0.00 0.02 -0.04 2.03 2.02 2j42A1 PRO 434 HG3 0.00 0.02 0.04 -0.04 2.03 2.05 2j42A1 PRO 434 HD2 -0.02 0.24 0.32 -0.04 3.68 4.18 2j42A1 PRO 434 HD3 -0.03 0.33 0.05 -0.04 3.65 3.96 2j42A1 ILE 435 H 0.06 0.22 0.21 -0.55 8.25 8.18 2j42A1 ILE 435 HA 0.02 0.08 0.49 -0.75 4.18 4.01 2j42A1 ILE 435 HB 0.02 -0.06 -0.13 -0.04 1.89 1.68 2j42A1 ILE 435 HG12 0.04 -0.01 -0.46 -0.04 1.49 1.02 2j42A1 ILE 435 HG13 0.04 -0.02 -0.29 -0.04 1.21 0.90 2j42A1 ILE 435 HG23 -0.00 0.10 -0.08 -0.04 0.93 0.91 2j42A1 ILE 435 HD13 0.01 0.01 -0.27 -0.04 0.88 0.59 2j42A1 ASN 436 H 0.02 0.11 0.17 -0.55 8.53 8.29 2j42A1 ASN 436 HA 0.06 0.39 1.01 -0.75 4.76 5.47 2j42A1 ASN 436 HB2 0.06 0.00 0.19 -0.04 2.88 3.10 2j42A1 ASN 436 HB3 0.04 0.10 0.06 -0.04 2.79 2.94 2j42A1 ASN 436 HD21 0.01 0.06 0.02 -0.04 7.03 7.08 2j42A1 ASN 436 HD22 0.02 0.07 0.02 -0.04 7.74 7.81 2j42A1 TYR 437 H 0.17 0.42 0.30 -0.55 8.29 8.63 2j42A1 TYR 437 HA 0.00 0.11 0.36 -0.75 4.56 4.28 2j42A1 TYR 437 HB2 -0.00 0.04 0.20 -0.04 3.06 3.26 2j42A1 TYR 437 HB3 0.00 -0.03 0.23 -0.04 2.98 3.14 2j42A1 TYR 437 HD2 -0.00 -0.08 -0.02 -0.04 7.15 7.01 2j42A1 TYR 437 HE2 0.00 -0.05 -0.00 -0.04 6.85 6.75 2j42A1 ASN 438 H 0.05 0.06 -0.28 -0.55 8.53 7.81 2j42A1 ASN 438 HA -0.17 0.14 0.48 -0.75 4.76 4.46 2j42A1 ASN 438 HB2 0.00 -0.05 0.05 -0.04 2.88 2.84 2j42A1 ASN 438 HB3 -0.03 0.05 0.00 -0.04 2.79 2.77 2j42A1 ASN 438 HD21 0.02 0.01 0.01 -0.04 7.03 7.02 2j42A1 ASN 438 HD22 -0.00 0.02 0.01 -0.04 7.74 7.72 2j42A1 GLN 439 H -0.01 0.20 -0.19 -0.55 8.47 7.92 2j42A1 GLN 439 HA -0.03 0.12 0.63 -0.75 4.36 4.32 2j42A1 GLN 439 HB2 0.00 -0.10 0.23 -0.04 2.15 2.24 2j42A1 GLN 439 HB3 -0.01 0.08 0.03 -0.04 2.02 2.08 2j42A1 GLN 439 HG2 -0.01 0.07 0.06 -0.04 2.40 2.48 2j42A1 GLN 439 HG3 -0.00 -0.08 -0.00 -0.04 2.39 2.26 2j42A1 GLN 439 HE21 0.00 0.14 0.05 -0.04 6.97 7.12 2j42A1 GLN 439 HE22 -0.00 0.02 0.06 -0.04 7.69 7.73 2j42A1 LEU 440 H -0.02 0.81 0.03 -0.55 8.37 8.64 2j42A1 LEU 440 HA -0.01 0.05 0.30 -0.75 4.35 3.93 2j42A1 LEU 440 HB2 0.05 0.04 -0.19 -0.04 1.64 1.50 2j42A1 LEU 440 HB3 0.03 0.08 -0.05 -0.04 1.64 1.65 2j42A1 LEU 440 HG 0.04 -0.00 -0.09 -0.04 1.64 1.54 2j42A1 LEU 440 HD13 0.02 -0.00 -0.11 -0.04 0.93 0.79 2j42A1 LEU 440 HD23 0.10 0.03 -0.13 -0.04 0.89 0.85 2j42A1 LYS 441 H -0.16 0.27 -0.56 -0.55 8.42 7.42 2j42A1 LYS 441 HA -0.11 0.14 0.64 -0.75 4.32 4.24 2j42A1 LYS 441 HB2 -0.45 0.05 0.08 -0.04 1.87 1.50 2j42A1 LYS 441 HB3 -0.28 0.07 0.08 -0.04 1.79 1.62 2j42A1 LYS 441 HG2 -0.10 -0.04 0.19 -0.04 1.46 1.47 2j42A1 LYS 441 HG3 -0.18 -0.01 0.06 -0.04 1.46 1.29 2j42A1 LYS 441 HD2 -0.15 -0.02 0.00 -0.04 1.69 1.48 2j42A1 LYS 441 HD3 -0.10 0.04 -0.18 -0.04 1.68 1.40 2j42A1 LYS 441 HE2 -0.05 -0.00 0.05 -0.04 2.99 2.94 2j42A1 LYS 441 HE3 -0.06 -0.02 0.02 -0.04 2.99 2.89 2j42A1 SER 442 H -0.06 0.36 -0.47 -0.55 8.46 7.74 2j42A1 SER 442 HA -0.04 0.14 0.91 -0.75 4.49 4.75 2j42A1 SER 442 HB2 -0.02 0.02 0.04 -0.04 3.95 3.94 2j42A1 SER 442 HB3 -0.03 -0.06 0.13 -0.04 3.93 3.93 2j42A1 ILE 443 H -0.03 0.25 -0.09 -0.55 8.25 7.83 2j42A1 ILE 443 HA 0.00 0.09 0.63 -0.75 4.18 4.15 2j42A1 ILE 443 HB -0.02 0.07 -0.05 -0.04 1.89 1.85 2j42A1 ILE 443 HG12 -0.01 -0.05 -0.04 -0.04 1.49 1.34 2j42A1 ILE 443 HG13 -0.02 0.53 0.09 -0.04 1.21 1.77 2j42A1 ILE 443 HG23 -0.01 0.00 -0.04 -0.04 0.93 0.84 2j42A1 ILE 443 HD13 -0.02 -0.03 -0.17 -0.04 0.88 0.62 2j42A1 ASP 444 H -0.02 0.04 -0.36 -0.55 8.40 7.51 2j42A1 ASP 444 HA -0.01 0.24 0.71 -0.75 4.63 4.82 2j42A1 ASP 444 HB2 -0.01 0.01 -0.08 -0.04 2.71 2.59 2j42A1 ASP 444 HB3 -0.01 0.03 -0.02 -0.04 2.70 2.66 2j42A1 ASN 445 H -0.02 0.00 -0.34 -0.55 8.53 7.63 2j42A1 ASN 445 HA -0.00 0.06 0.36 -0.75 4.76 4.43 2j42A1 ASN 445 HB2 -0.01 -0.07 0.12 -0.04 2.88 2.88 2j42A1 ASN 445 HB3 -0.01 -0.02 0.02 -0.04 2.79 2.74 2j42A1 ASN 445 HD21 -0.03 -0.03 0.08 -0.04 7.03 7.01 2j42A1 ASN 445 HD22 -0.02 -0.08 0.06 -0.04 7.74 7.66 2j42A1 GLY 446 H 0.00 0.03 -0.21 -0.55 8.43 7.71 2j42A1 GLY 446 HA2 0.01 0.18 0.74 -0.51 4.01 4.43 2j42A1 GLY 446 HA3 0.01 -0.07 0.26 -0.51 4.01 3.70 2j42A1 GLY 447 H 0.03 0.01 -0.07 -0.55 8.43 7.85 2j42A1 GLY 447 HA2 0.07 0.15 0.28 -0.51 4.01 4.00 2j42A1 GLY 447 HA3 0.05 0.17 0.81 -0.51 4.01 4.53 2j42A1 THR 448 H 0.11 0.26 0.08 -0.55 8.28 8.19 2j42A1 THR 448 HA 0.25 0.38 0.48 -0.75 4.39 4.74 2j42A1 THR 448 HB 0.06 -0.14 -0.07 -0.04 4.32 4.13 2j42A1 THR 448 HG23 0.08 -0.05 -0.09 -0.04 1.22 1.12 2j42A1 VAL 449 H 0.31 0.26 0.00 -0.55 8.24 8.26 2j42A1 VAL 449 HA -0.00 0.23 0.85 -0.75 4.13 4.46 2j42A1 VAL 449 HB -0.19 0.00 -0.02 -0.04 2.12 1.87 2j42A1 VAL 449 HG13 -0.04 -0.02 -0.28 -0.04 0.97 0.59 2j42A1 VAL 449 HG23 -0.68 -0.01 -0.01 -0.04 0.95 0.22 2j42A1 MET 450 H 0.02 0.35 0.18 -0.55 8.47 8.48 2j42A1 MET 450 HA 0.07 0.05 0.49 -0.75 4.52 4.37 2j42A1 MET 450 HB2 0.01 0.00 -0.05 -0.04 2.15 2.08 2j42A1 MET 450 HB3 0.04 -0.04 0.01 -0.04 2.03 2.00 2j42A1 MET 450 HG2 0.04 -0.07 0.05 -0.04 2.63 2.61 2j42A1 MET 450 HG3 0.02 -0.02 -0.26 -0.04 2.56 2.25 2j42A1 MET 450 HE3 0.05 -0.01 -0.01 -0.04 2.10 2.09 2j42A1 LEU 451 H 0.05 0.27 0.12 -0.55 8.37 8.26 2j42A1 LEU 451 HA -0.02 0.16 0.63 -0.75 4.35 4.37 2j42A1 LEU 451 HB2 0.04 0.19 0.23 -0.04 1.64 2.06 2j42A1 LEU 451 HB3 0.00 -0.06 0.12 -0.04 1.64 1.66 2j42A1 LEU 451 HG -0.10 0.03 -0.20 -0.04 1.64 1.32 2j42A1 LEU 451 HD13 -0.18 0.04 -0.08 -0.04 0.93 0.67 2j42A1 LEU 451 HD23 -0.08 -0.03 -0.17 -0.04 0.89 0.57 2j42A1 SER 452 H 0.01 0.57 -0.00 -0.55 8.46 8.49 2j42A1 SER 452 HA 0.00 0.10 0.91 -0.75 4.49 4.75 2j42A1 SER 452 HB2 0.01 -0.04 0.06 -0.04 3.95 3.94 2j42A1 SER 452 HB3 0.00 -0.01 0.21 -0.04 3.93 4.09 2j42A1 THR 453 H 0.01 0.23 -0.03 -0.55 8.28 7.94 2j42A1 THR 453 HA 0.07 -0.06 0.30 -0.75 4.39 3.95 2j42A1 THR 453 HB 0.09 0.00 0.02 -0.04 4.32 4.39 2j42A1 THR 453 HG23 0.23 0.02 -0.40 -0.04 1.22 1.03 2j42A1 SER 454 H 0.10 0.48 0.30 -0.55 8.46 8.80 2j42A1 SER 454 HA -0.04 0.08 0.34 -0.75 4.49 4.12 2j42A1 SER 454 HB2 0.03 -0.23 0.23 -0.04 3.95 3.94 2j42A1 SER 454 HB3 0.10 0.06 0.18 -0.04 3.93 4.23 2j42A1 GLN 455 H -0.18 0.11 -0.01 -0.55 8.47 7.84 2j42A1 GLN 455 HA -0.04 0.14 0.50 -0.75 4.36 4.21 2j42A1 GLN 455 HB2 -0.37 -0.05 0.03 -0.04 2.15 1.73 2j42A1 GLN 455 HB3 -0.29 -0.01 0.10 -0.04 2.02 1.78 2j42A1 GLN 455 HG2 -1.36 0.09 0.14 -0.04 2.40 1.24 2j42A1 GLN 455 HG3 -0.57 0.05 -0.20 -0.04 2.39 1.63 2j42A1 GLN 455 HE21 -0.14 0.02 -0.11 -0.04 6.97 6.70 2j42A1 GLN 455 HE22 -0.29 0.03 -0.04 -0.04 7.69 7.36 2j42A1 PHE 456 H 0.23 0.26 0.01 -0.55 8.34 8.30 2j42A1 PHE 456 HA 0.09 0.15 0.81 -0.75 4.62 4.91 2j42A1 PHE 456 HB2 0.07 -0.14 0.06 -0.04 3.15 3.11 2j42A1 PHE 456 HB3 0.07 0.02 -0.08 -0.04 3.06 3.03 2j42A1 PHE 456 HD2 0.05 -0.09 0.02 -0.04 7.28 7.22 2j42A1 PHE 456 HE2 0.03 0.01 0.01 -0.04 7.38 7.39 2j42A1 PHE 456 HZ 0.02 0.02 0.00 -0.04 7.32 7.32 2j42A1 THR 457 H 0.24 0.21 0.19 -0.55 8.28 8.38 2j42A1 THR 457 HA 0.11 0.24 0.78 -0.75 4.39 4.77 2j42A1 THR 457 HB -0.12 0.05 -0.06 -0.04 4.32 4.15 2j42A1 THR 457 HG23 -0.17 0.03 -0.20 -0.04 1.22 0.84 2j42A1 GLY 458 H 0.19 0.34 0.05 -0.55 8.43 8.47 2j42A1 GLY 458 HA2 0.22 0.21 0.51 -0.51 4.01 4.44 2j42A1 GLY 458 HA3 0.23 -0.54 0.64 -0.51 4.01 3.82 2j42A1 ASN 459 H 0.25 -0.01 0.28 -0.55 8.53 8.51 2j42A1 ASN 459 HA 0.19 0.11 0.56 -0.75 4.76 4.86 2j42A1 ASN 459 HB2 0.05 0.09 -0.02 -0.04 2.88 2.96 2j42A1 ASN 459 HB3 -0.06 0.09 -0.16 -0.04 2.79 2.62 2j42A1 ASN 459 HD21 0.03 0.03 0.02 -0.04 7.03 7.08 2j42A1 ASN 459 HD22 -0.01 0.29 -0.07 -0.04 7.74 7.92 2j42A1 PHE 460 H -0.27 0.15 0.00 -0.55 8.34 7.67 2j42A1 PHE 460 HA 0.32 0.25 0.81 -0.75 4.62 5.24 2j42A1 PHE 460 HB2 -0.54 0.08 0.16 -0.04 3.15 2.81 2j42A1 PHE 460 HB3 -2.67 -0.01 -0.09 -0.04 3.06 0.26 2j42A1 PHE 460 HD2 -0.50 0.03 0.03 -0.04 7.28 6.80 2j42A1 PHE 460 HE2 -0.25 0.08 -0.07 -0.04 7.38 7.10 2j42A1 PHE 460 HZ -0.38 0.01 -0.05 -0.04 7.32 6.86 2j42A1 ALA 461 H 0.40 0.24 0.09 -0.55 8.40 8.59 2j42A1 ALA 461 HA -0.33 0.33 0.85 -0.75 4.34 4.44 2j42A1 ALA 461 HB3 0.06 0.00 -0.09 -0.04 1.41 1.35 2j42A1 LYS 462 H -0.33 0.70 0.26 -0.55 8.42 8.50 2j42A1 LYS 462 HA 0.09 0.15 0.89 -0.75 4.32 4.70 2j42A1 LYS 462 HB2 -0.21 -0.00 0.05 -0.04 1.87 1.67 2j42A1 LYS 462 HB3 -0.07 0.07 -0.02 -0.04 1.79 1.73 2j42A1 LYS 462 HG2 -0.67 0.08 -0.14 -0.04 1.46 0.69 2j42A1 LYS 462 HG3 -1.19 -0.11 -0.14 -0.04 1.46 -0.02 2j42A1 LYS 462 HD2 -0.24 0.00 0.01 -0.04 1.69 1.42 2j42A1 LYS 462 HD3 -0.10 0.10 -0.02 -0.04 1.68 1.62 2j42A1 LYS 462 HE2 -0.23 0.15 -0.03 -0.04 2.99 2.84 2j42A1 LYS 462 HE3 -0.55 -0.23 0.11 -0.04 2.99 2.27 2j42A1 TYR 463 H 0.28 0.17 0.06 -0.55 8.29 8.24 2j42A1 TYR 463 HA -0.01 0.01 0.20 -0.75 4.56 4.01 2j42A1 TYR 463 HB2 0.10 0.04 -0.01 -0.04 3.06 3.14 2j42A1 TYR 463 HB3 0.06 -0.04 -0.02 -0.04 2.98 2.93 2j42A1 TYR 463 HD2 0.02 -0.07 -0.24 -0.04 7.15 6.82 2j42A1 TYR 463 HE2 -0.14 0.05 -0.13 -0.04 6.85 6.59 2j42A1 ASN 464 H -0.41 0.24 0.02 -0.55 8.53 7.84 2j42A1 ASN 464 HA -0.12 0.12 0.69 -0.75 4.76 4.69 2j42A1 ASN 464 HB2 -0.19 0.38 0.26 -0.04 2.88 3.29 2j42A1 ASN 464 HB3 -0.25 -0.30 0.20 -0.04 2.79 2.40 2j42A1 ASN 464 HD21 -0.08 0.01 0.02 -0.04 7.03 6.94 2j42A1 ASN 464 HD22 -0.10 0.10 0.00 -0.04 7.74 7.70 2j42A1 SER 465 H -0.07 0.21 0.17 -0.55 8.46 8.22 2j42A1 SER 465 HA -0.04 0.15 0.34 -0.75 4.49 4.19 2j42A1 SER 465 HB2 -0.02 0.02 0.06 -0.04 3.95 3.97 2j42A1 SER 465 HB3 0.00 0.05 0.11 -0.04 3.93 4.05 2j42A1 ASN 466 H -0.10 -0.01 -0.12 -0.55 8.53 7.76 2j42A1 ASN 466 HA -0.09 0.15 0.52 -0.75 4.76 4.59 2j42A1 ASN 466 HB2 -0.08 -0.09 0.10 -0.04 2.88 2.76 2j42A1 ASN 466 HB3 -0.08 0.11 -0.04 -0.04 2.79 2.74 2j42A1 ASN 466 HD21 -0.05 0.03 0.01 -0.04 7.03 6.98 2j42A1 ASN 466 HD22 -0.06 -0.03 0.04 -0.04 7.74 7.65 2j42A1 GLY 467 H -0.13 -0.06 -0.07 -0.55 8.43 7.63 2j42A1 GLY 467 HA2 -0.10 0.22 0.61 -0.51 4.01 4.24 2j42A1 GLY 467 HA3 -0.12 -0.05 0.21 -0.51 4.01 3.55 2j42A1 ASN 468 H -0.27 0.06 -0.29 -0.55 8.53 7.48 2j42A1 ASN 468 HA -0.74 0.18 0.29 -0.75 4.76 3.74 2j42A1 ASN 468 HB2 -0.25 0.20 0.27 -0.04 2.88 3.06 2j42A1 ASN 468 HB3 -0.26 -0.04 0.10 -0.04 2.79 2.56 2j42A1 ASN 468 HD21 -0.07 0.11 -0.23 -0.04 7.03 6.79 2j42A1 ASN 468 HD22 -0.18 0.02 -0.19 -0.04 7.74 7.35 2j42A1 LEU 469 H -0.45 0.02 0.09 -0.55 8.37 7.48 2j42A1 LEU 469 HA -0.40 0.25 0.85 -0.75 4.35 4.30 2j42A1 LEU 469 HB2 -0.19 -0.00 -0.29 -0.04 1.64 1.12 2j42A1 LEU 469 HB3 -0.15 -0.08 -0.08 -0.04 1.64 1.30 2j42A1 LEU 469 HG -0.03 0.03 -0.01 -0.04 1.64 1.58 2j42A1 LEU 469 HD13 -0.06 0.04 -0.09 -0.04 0.93 0.78 2j42A1 LEU 469 HD23 -0.03 -0.01 -0.13 -0.04 0.89 0.67 2j42A1 VAL 470 H -0.00 0.25 0.02 -0.55 8.24 7.96 2j42A1 VAL 470 HA 0.03 0.06 0.21 -0.75 4.13 3.67 2j42A1 VAL 470 HB 0.30 0.03 0.13 -0.04 2.12 2.54 2j42A1 VAL 470 HG13 0.10 -0.03 -0.18 -0.04 0.97 0.82 2j42A1 VAL 470 HG23 0.38 0.02 -0.17 -0.04 0.95 1.14 2j42A1 THR 471 H -0.11 0.53 0.32 -0.55 8.28 8.48 2j42A1 THR 471 HA -0.11 0.20 0.93 -0.75 4.39 4.66 2j42A1 THR 471 HB -0.09 0.00 -0.09 -0.04 4.32 4.09 2j42A1 THR 471 HG23 -0.13 0.04 -0.01 -0.04 1.22 1.08 2j42A1 ASP 472 H -0.15 0.13 0.12 -0.55 8.40 7.95 2j42A1 ASP 472 HA -0.32 0.29 0.52 -0.75 4.63 4.36 2j42A1 ASP 472 HB2 -0.17 0.00 0.07 -0.04 2.71 2.57 2j42A1 ASP 472 HB3 -0.10 0.00 0.21 -0.04 2.70 2.77 2j42A1 GLY 473 H -0.47 0.39 0.29 -0.55 8.43 8.10 2j42A1 GLY 473 HA2 -0.20 0.10 0.34 -0.51 4.01 3.73 2j42A1 GLY 473 HA3 -0.40 -0.03 0.39 -0.51 4.01 3.45 2j42A1 ASN 474 H -0.11 0.21 0.03 -0.55 8.53 8.12 2j42A1 ASN 474 HA -0.01 0.14 0.85 -0.75 4.76 4.99 2j42A1 ASN 474 HB2 -0.02 -0.01 0.03 -0.04 2.88 2.83 2j42A1 ASN 474 HB3 0.01 0.01 0.20 -0.04 2.79 2.96 2j42A1 ASN 474 HD21 -0.01 -0.00 -0.01 -0.04 7.03 6.96 2j42A1 ASN 474 HD22 -0.02 -0.01 -0.03 -0.04 7.74 7.63 2j42A1 ASN 475 H 0.06 -0.02 -0.08 -0.55 8.53 7.95 2j42A1 ASN 475 HA 0.22 -0.08 -0.04 -0.75 4.76 4.10 2j42A1 ASN 475 HB2 0.11 0.01 -0.45 -0.04 2.88 2.51 2j42A1 ASN 475 HB3 0.15 0.11 0.10 -0.04 2.79 3.12 2j42A1 ASN 475 HD21 0.15 -0.01 0.03 -0.04 7.03 7.17 2j42A1 ASN 475 HD22 0.12 -0.02 -0.06 -0.04 7.74 7.74 2j42A1 TRP 476 H 0.46 0.20 0.24 -0.55 7.97 8.32 2j42A1 TRP 476 HA 0.46 0.15 0.78 -0.75 4.62 5.25 2j42A1 TRP 476 HB2 0.20 0.19 -0.07 -0.04 3.23 3.51 2j42A1 TRP 476 HB3 0.18 -0.04 -0.06 -0.04 3.23 3.27 2j42A1 TRP 476 HD1 0.23 -0.18 -0.71 -0.04 7.22 6.52 2j42A1 TRP 476 HE1 0.30 0.21 0.01 -0.04 10.20 10.68 2j42A1 TRP 476 HE3 0.05 -0.07 -0.06 -0.04 7.59 7.47 2j42A1 TRP 476 HZ2 0.14 0.13 0.03 -0.04 7.44 7.69 2j42A1 TRP 476 HZ3 -0.14 0.06 0.01 -0.04 7.13 7.02 2j42A1 TRP 476 HH2 -0.04 0.37 0.18 -0.04 7.19 7.67 2j42A1 GLY 477 H 0.42 0.25 0.25 -0.55 8.43 8.80 2j42A1 GLY 477 HA2 0.20 0.01 0.44 -0.51 4.01 4.15 2j42A1 GLY 477 HA3 0.20 0.09 0.42 -0.51 4.01 4.21 2j42A1 PRO 478 HA 0.00 -0.00 0.37 -0.51 4.44 4.29 2j42A1 PRO 478 HB2 -0.22 0.11 -0.02 -0.04 2.28 2.11 2j42A1 PRO 478 HB3 -0.08 0.01 0.14 -0.04 2.02 2.06 2j42A1 PRO 478 HG2 -0.02 0.08 0.01 -0.04 2.03 2.06 2j42A1 PRO 478 HG3 0.02 0.00 0.07 -0.04 2.03 2.08 2j42A1 PRO 478 HD2 0.10 0.15 -0.28 -0.04 3.68 3.61 2j42A1 PRO 478 HD3 0.11 0.02 0.11 -0.04 3.65 3.85 2j42A1 TYR 479 H 0.24 0.26 -1.00 -0.55 8.29 7.25 2j42A1 TYR 479 HA 0.05 0.14 0.78 -0.75 4.56 4.78 2j42A1 TYR 479 HB2 0.30 0.17 0.06 -0.04 3.06 3.55 2j42A1 TYR 479 HB3 0.17 -0.02 -0.04 -0.04 2.98 3.05 2j42A1 TYR 479 HD2 -0.01 0.04 0.04 -0.04 7.15 7.17 2j42A1 TYR 479 HE2 0.09 0.04 -0.08 -0.04 6.85 6.86 2j42A1 LEU 480 H 0.25 0.40 0.16 -0.55 8.37 8.64 2j42A1 LEU 480 HA 0.19 0.10 0.40 -0.75 4.35 4.28 2j42A1 LEU 480 HB2 0.09 -0.00 0.12 -0.04 1.64 1.81 2j42A1 LEU 480 HB3 0.11 0.02 0.02 -0.04 1.64 1.74 2j42A1 LEU 480 HG 0.23 -0.04 0.01 -0.04 1.64 1.80 2j42A1 LEU 480 HD13 0.09 -0.01 0.00 -0.04 0.93 0.97 2j42A1 LEU 480 HD23 0.20 0.02 -0.01 -0.04 0.89 1.05 2j42A1 GLY 481 H 0.06 0.12 -0.26 -0.55 8.43 7.80 2j42A1 GLY 481 HA2 0.01 0.01 0.24 -0.51 4.01 3.76 2j42A1 GLY 481 HA3 0.02 0.02 0.22 -0.51 4.01 3.75 2j42A1 THR 482 H 0.02 0.17 -0.09 -0.55 8.28 7.83 2j42A1 THR 482 HA 0.01 -0.03 0.29 -0.75 4.39 3.91 2j42A1 THR 482 HB 0.02 -0.01 0.04 -0.04 4.32 4.32 2j42A1 THR 482 HG23 0.01 -0.01 0.03 -0.04 1.22 1.22 2j42A1 ILE 483 H 0.03 0.18 -0.63 -0.55 8.25 7.28 2j42A1 ILE 483 HA -0.05 0.17 0.32 -0.75 4.18 3.86 2j42A1 ILE 483 HB -0.02 0.30 0.26 -0.04 1.89 2.39 2j42A1 ILE 483 HG12 -0.13 0.10 0.10 -0.04 1.49 1.52 2j42A1 ILE 483 HG13 0.02 0.20 0.15 -0.04 1.21 1.54 2j42A1 ILE 483 HG23 -0.37 -0.04 -0.16 -0.04 0.93 0.33 2j42A1 ILE 483 HD13 -0.03 -0.10 -0.08 -0.04 0.88 0.64 2j42A1 LYS 484 H -0.02 0.39 0.09 -0.55 8.42 8.33 2j42A1 LYS 484 HA -0.03 0.08 0.38 -0.75 4.32 4.00 2j42A1 LYS 484 HB2 -0.00 0.04 0.11 -0.04 1.87 1.97 2j42A1 LYS 484 HB3 -0.00 -0.03 -0.03 -0.04 1.79 1.69 2j42A1 LYS 484 HG2 0.03 0.01 0.02 -0.04 1.46 1.48 2j42A1 LYS 484 HG3 0.02 0.00 0.00 -0.04 1.46 1.45 2j42A1 LYS 484 HD2 -0.00 -0.02 -0.11 -0.04 1.69 1.51 2j42A1 LYS 484 HD3 0.03 0.05 -0.09 -0.04 1.68 1.63 2j42A1 LYS 484 HE2 -0.02 -0.12 -0.29 -0.04 2.99 2.53 2j42A1 LYS 484 HE3 0.03 0.06 -0.12 -0.04 2.99 2.92 2j42A1 SER 485 H -0.00 0.33 -0.26 -0.55 8.46 7.98 2j42A1 SER 485 HA 0.00 -0.05 0.33 -0.75 4.49 4.01 2j42A1 SER 485 HB2 -0.00 -0.11 0.07 -0.04 3.95 3.87 2j42A1 SER 485 HB3 -0.00 0.01 0.03 -0.04 3.93 3.93 2j42A1 THR 486 H -0.01 0.64 -0.42 -0.55 8.28 7.94 2j42A1 THR 486 HA 0.01 0.14 0.96 -0.75 4.39 4.75 2j42A1 THR 486 HB 0.01 -0.16 0.09 -0.04 4.32 4.22 2j42A1 THR 486 HG23 0.01 0.08 -0.14 -0.04 1.22 1.12 2j42A1 THR 487 H -0.02 0.36 0.10 -0.55 8.28 8.17 2j42A1 THR 487 HA -0.02 0.26 0.91 -0.75 4.39 4.79 2j42A1 THR 487 HB -0.08 -0.12 -0.28 -0.04 4.32 3.80 2j42A1 THR 487 HG23 -0.07 -0.01 -0.43 -0.04 1.22 0.68 2j42A1 ALA 488 H -0.00 1.12 0.33 -0.55 8.40 9.30 2j42A1 ALA 488 HA 0.02 -0.12 0.99 -0.75 4.34 4.47 2j42A1 ALA 488 HB3 0.03 0.07 0.08 -0.04 1.41 1.54 2j42A1 SER 489 H 0.04 -0.06 0.05 -0.55 8.46 7.95 2j42A1 SER 489 HA 0.08 0.18 0.52 -0.75 4.49 4.52 2j42A1 SER 489 HB2 0.07 0.04 0.10 -0.04 3.95 4.11 2j42A1 SER 489 HB3 0.05 -0.07 -0.05 -0.04 3.93 3.82 2j42A1 LEU 490 H 0.11 0.05 0.16 -0.55 8.37 8.15 2j42A1 LEU 490 HA 0.17 0.08 0.50 -0.75 4.35 4.34 2j42A1 LEU 490 HB2 0.07 0.31 -0.07 -0.04 1.64 1.90 2j42A1 LEU 490 HB3 0.03 -0.02 0.02 -0.04 1.64 1.63 2j42A1 LEU 490 HG 0.05 -0.06 -0.12 -0.04 1.64 1.46 2j42A1 LEU 490 HD13 0.45 0.01 -0.17 -0.04 0.93 1.18 2j42A1 LEU 490 HD23 0.11 -0.02 -0.04 -0.04 0.89 0.90 2j42A1 THR 491 H 0.14 0.46 0.36 -0.55 8.28 8.70 2j42A1 THR 491 HA 0.20 0.33 1.09 -0.75 4.39 5.25 2j42A1 THR 491 HB 0.01 -0.05 0.14 -0.04 4.32 4.37 2j42A1 THR 491 HG23 -0.02 0.04 0.03 -0.04 1.22 1.23 2j42A1 LEU 492 H -0.07 0.07 0.21 -0.55 8.37 8.03 2j42A1 LEU 492 HA -0.30 0.30 0.74 -0.75 4.35 4.33 2j42A1 LEU 492 HB2 -1.52 0.12 -0.18 -0.04 1.64 0.02 2j42A1 LEU 492 HB3 -0.49 0.01 0.13 -0.04 1.64 1.25 2j42A1 LEU 492 HG -0.39 -0.37 0.26 -0.04 1.64 1.10 2j42A1 LEU 492 HD13 -0.33 0.09 0.10 -0.04 0.93 0.75 2j42A1 LEU 492 HD23 -0.75 0.03 0.02 -0.04 0.89 0.16 2j42A1 SER 493 H -0.25 0.08 0.21 -0.55 8.46 7.95 2j42A1 SER 493 HA -0.06 0.58 0.43 -0.75 4.49 4.68 2j42A1 SER 493 HB2 -0.05 -0.13 -0.06 -0.04 3.95 3.67 2j42A1 SER 493 HB3 -0.10 0.15 -0.19 -0.04 3.93 3.75 2j42A1 LEU 494 H -0.19 0.03 0.20 -0.55 8.37 7.87 2j42A1 LEU 494 HA -0.12 0.19 0.62 -0.75 4.35 4.28 2j42A1 LEU 494 HB2 -0.47 -0.04 0.21 -0.04 1.64 1.31 2j42A1 LEU 494 HB3 -0.29 0.02 -0.02 -0.04 1.64 1.31 2j42A1 LEU 494 HG -0.45 -0.04 0.04 -0.04 1.64 1.15 2j42A1 LEU 494 HD13 -1.82 0.00 0.02 -0.04 0.93 -0.91 2j42A1 LEU 494 HD23 -0.19 0.01 0.02 -0.04 0.89 0.69 2j42A1 PRO 495 HA 0.06 0.07 0.41 -0.51 4.44 4.47 2j42A1 PRO 495 HB2 0.04 -0.17 0.14 -0.04 2.28 2.25 2j42A1 PRO 495 HB3 0.04 0.04 0.08 -0.04 2.02 2.14 2j42A1 PRO 495 HG2 0.11 0.06 0.07 -0.04 2.03 2.23 2j42A1 PRO 495 HG3 0.25 0.09 0.10 -0.04 2.03 2.43 2j42A1 PRO 495 HD2 -0.00 0.07 0.17 -0.04 3.68 3.87 2j42A1 PRO 495 HD3 0.01 0.13 0.23 -0.04 3.65 3.98 2j42A1 ASP 496 H 0.02 -0.18 -0.00 -0.55 8.40 7.69 2j42A1 ASP 496 HA -0.00 0.20 0.52 -0.75 4.63 4.60 2j42A1 ASP 496 HB2 -0.01 -0.04 0.02 -0.04 2.71 2.64 2j42A1 ASP 496 HB3 -0.01 0.11 -0.02 -0.04 2.70 2.74 2j42A1 GLN 497 H 0.03 -0.09 0.07 -0.55 8.47 7.93 2j42A1 GLN 497 HA 0.04 0.22 0.70 -0.75 4.36 4.56 2j42A1 GLN 497 HB2 0.07 0.03 -0.01 -0.04 2.15 2.19 2j42A1 GLN 497 HB3 0.25 -0.18 0.20 -0.04 2.02 2.26 2j42A1 GLN 497 HG2 0.06 0.05 0.06 -0.04 2.40 2.53 2j42A1 GLN 497 HG3 0.01 0.00 -0.45 -0.04 2.39 1.91 2j42A1 GLN 497 HE21 -0.08 -0.01 -0.04 -0.04 6.97 6.80 2j42A1 GLN 497 HE22 0.23 -0.02 0.00 -0.04 7.69 7.86 2j42A1 THR 498 H 0.20 0.10 0.16 -0.55 8.28 8.19 2j42A1 THR 498 HA -0.00 0.29 0.71 -0.75 4.39 4.62 2j42A1 THR 498 HB -0.10 -0.06 0.12 -0.04 4.32 4.24 2j42A1 THR 498 HG23 -0.05 0.05 -0.01 -0.04 1.22 1.17 2j42A1 THR 499 H 0.01 0.13 0.05 -0.55 8.28 7.93 2j42A1 THR 499 HA 0.10 0.19 1.00 -0.75 4.39 4.93 2j42A1 THR 499 HB 0.10 -0.13 0.04 -0.04 4.32 4.29 2j42A1 THR 499 HG23 0.25 0.04 -0.14 -0.04 1.22 1.33 2j42A1 GLN 500 H 0.04 0.32 0.30 -0.55 8.47 8.58 2j42A1 GLN 500 HA 0.15 0.14 0.91 -0.75 4.36 4.81 2j42A1 GLN 500 HB2 -0.03 -0.01 0.09 -0.04 2.15 2.16 2j42A1 GLN 500 HB3 0.05 0.00 -0.01 -0.04 2.02 2.03 2j42A1 GLN 500 HG2 0.04 -0.02 0.01 -0.04 2.40 2.39 2j42A1 GLN 500 HG3 -0.02 -0.10 -0.01 -0.04 2.39 2.23 2j42A1 GLN 500 HE21 0.03 0.04 0.01 -0.04 6.97 7.00 2j42A1 GLN 500 HE22 0.04 -0.03 -0.01 -0.04 7.69 7.65 2j42A1 VAL 501 H 0.16 0.61 0.37 -0.55 8.24 8.82 2j42A1 VAL 501 HA 0.17 0.04 0.78 -0.75 4.13 4.36 2j42A1 VAL 501 HB -0.09 0.08 -0.01 -0.04 2.12 2.06 2j42A1 VAL 501 HG13 -0.10 -0.03 -0.19 -0.04 0.97 0.60 2j42A1 VAL 501 HG23 0.04 0.04 -0.07 -0.04 0.95 0.91 2j42A1 ALA 502 H 0.20 0.13 0.14 -0.55 8.40 8.32 2j42A1 ALA 502 HA 0.05 0.39 0.91 -0.75 4.34 4.94 2j42A1 ALA 502 HB3 -0.15 -0.04 -0.09 -0.04 1.41 1.10 2j42A1 VAL 503 H -0.01 0.74 0.31 -0.55 8.24 8.74 2j42A1 VAL 503 HA -0.03 0.18 1.13 -0.75 4.13 4.66 2j42A1 VAL 503 HB 0.00 -0.06 0.11 -0.04 2.12 2.13 2j42A1 VAL 503 HG13 -0.01 0.03 -0.00 -0.04 0.97 0.96 2j42A1 VAL 503 HG23 -0.04 0.04 -0.20 -0.04 0.95 0.70 2j42A1 VAL 504 H -0.02 0.53 0.27 -0.55 8.24 8.48 2j42A1 VAL 504 HA -0.01 0.22 0.52 -0.75 4.13 4.10 2j42A1 VAL 504 HB -0.01 -0.01 0.03 -0.04 2.12 2.09 2j42A1 VAL 504 HG13 0.01 -0.01 -0.09 -0.04 0.97 0.84 2j42A1 VAL 504 HG23 0.01 -0.03 -0.12 -0.04 0.95 0.78 2j42A1 ALA 505 H 0.01 0.59 0.22 -0.55 8.40 8.67 2j42A1 ALA 505 HA 0.03 0.02 0.41 -0.75 4.34 4.05 2j42A1 ALA 505 HB3 0.03 0.07 -0.10 -0.04 1.41 1.37 2j42A1 PRO 506 HA 0.03 0.07 0.44 -0.51 4.44 4.46 2j42A1 PRO 506 HB2 0.03 0.07 0.12 -0.04 2.28 2.46 2j42A1 PRO 506 HB3 0.03 -0.06 0.16 -0.04 2.02 2.11 2j42A1 PRO 506 HG2 0.05 -0.01 -0.07 -0.04 2.03 1.95 2j42A1 PRO 506 HG3 0.04 0.04 -0.11 -0.04 2.03 1.97 2j42A1 PRO 506 HD2 0.04 0.15 0.24 -0.04 3.68 4.06 2j42A1 PRO 506 HD3 0.04 0.07 0.18 -0.04 3.65 3.89 2j42A1 ASN 507 H 0.02 0.17 0.22 -0.55 8.53 8.39 2j42A1 ASN 507 HA 0.06 0.12 1.04 -0.75 4.76 5.23 2j42A1 ASN 507 HB2 0.02 0.17 0.04 -0.04 2.88 3.07 2j42A1 ASN 507 HB3 -0.00 -0.00 0.04 -0.04 2.79 2.78 2j42A1 ASN 507 HD21 0.03 0.00 0.03 -0.04 7.03 7.04 2j42A1 ASN 507 HD22 -0.02 -0.02 -0.03 -0.04 7.74 7.62 2j42A1 PHE 508 H 0.20 0.10 0.13 -0.55 8.34 8.21 2j42A1 PHE 508 HA 0.01 0.15 0.45 -0.75 4.62 4.47 2j42A1 PHE 508 HB2 0.01 0.06 0.06 -0.04 3.15 3.23 2j42A1 PHE 508 HB3 0.01 -0.07 0.16 -0.04 3.06 3.13 2j42A1 PHE 508 HD2 0.01 -0.00 -0.01 -0.04 7.28 7.23 2j42A1 PHE 508 HE2 0.00 -0.01 -0.05 -0.04 7.38 7.28 2j42A1 PHE 508 HZ 0.00 -0.02 -0.05 -0.04 7.32 7.21 2j42A1 SER 509 H -0.12 0.03 -0.06 -0.55 8.46 7.77 2j42A1 SER 509 HA -0.57 0.25 0.61 -0.75 4.49 4.03 2j42A1 SER 509 HB2 -0.64 0.01 -0.02 -0.04 3.95 3.26 2j42A1 SER 509 HB3 -0.16 -0.02 0.07 -0.04 3.93 3.78 2j42A1 ASP 513 HA 0.02 0.02 0.18 -0.75 4.63 4.09 2j42A1 ASP 513 HB2 -0.03 -0.03 -0.02 -0.04 2.71 2.60 2j42A1 ASP 513 HB3 -0.00 -0.01 0.10 -0.04 2.70 2.75 2j42A1 LYS 514 H 0.03 0.16 0.16 -0.55 8.42 8.22 2j42A1 LYS 514 HA 0.13 0.15 0.85 -0.75 4.32 4.70 2j42A1 LYS 514 HB2 0.12 -0.01 -0.06 -0.04 1.87 1.88 2j42A1 LYS 514 HB3 0.21 -0.09 0.10 -0.04 1.79 1.97 2j42A1 LYS 514 HG2 -0.03 -0.01 -0.02 -0.04 1.46 1.36 2j42A1 LYS 514 HG3 0.02 0.05 0.09 -0.04 1.46 1.58 2j42A1 LYS 514 HD2 0.08 -0.05 -0.03 -0.04 1.69 1.65 2j42A1 LYS 514 HD3 -0.07 -0.02 -0.00 -0.04 1.68 1.54 2j42A1 LYS 514 HE2 0.00 0.01 0.00 -0.04 2.99 2.96 2j42A1 LYS 514 HE3 0.04 0.01 -0.03 -0.04 2.99 2.97 2j42A1 THR 515 H 0.06 0.02 0.05 -0.55 8.28 7.85 2j42A1 THR 515 HA 0.07 0.02 0.44 -0.75 4.39 4.17 2j42A1 THR 515 HB 0.04 0.13 0.04 -0.04 4.32 4.50 2j42A1 THR 515 HG23 0.04 0.00 0.05 -0.04 1.22 1.28 2j42A1 PRO 516 HA 0.06 0.17 0.76 -0.51 4.44 4.92 2j42A1 PRO 516 HB2 0.05 0.04 -0.15 -0.04 2.28 2.18 2j42A1 PRO 516 HB3 0.06 0.05 0.05 -0.04 2.02 2.14 2j42A1 PRO 516 HG2 0.06 -0.01 -0.30 -0.04 2.03 1.74 2j42A1 PRO 516 HG3 0.07 0.20 -0.32 -0.04 2.03 1.94 2j42A1 PRO 516 HD2 0.05 0.13 0.07 -0.04 3.68 3.89 2j42A1 PRO 516 HD3 0.07 0.09 0.09 -0.04 3.65 3.85 2j42A1 ARG 517 H 0.04 0.12 0.12 -0.55 8.46 8.19 2j42A1 ARG 517 HA 0.04 0.16 0.75 -0.75 4.34 4.53 2j42A1 ARG 517 HB2 0.04 -0.02 0.09 -0.04 1.90 1.96 2j42A1 ARG 517 HB3 0.03 -0.03 -0.00 -0.04 1.80 1.76 2j42A1 ARG 517 HG2 0.03 0.05 0.01 -0.04 1.67 1.72 2j42A1 ARG 517 HG3 0.04 0.02 -0.02 -0.04 1.67 1.67 2j42A1 ARG 517 HD2 0.02 -0.02 -0.05 -0.04 3.22 3.12 2j42A1 ARG 517 HD3 0.02 -0.02 -0.04 -0.04 3.22 3.14 2j42A1 LEU 518 H 0.03 0.25 0.23 -0.55 8.37 8.34 2j42A1 LEU 518 HA 0.03 0.13 0.88 -0.75 4.35 4.64 2j42A1 LEU 518 HB2 0.03 0.06 -0.13 -0.04 1.64 1.56 2j42A1 LEU 518 HB3 0.03 0.09 0.07 -0.04 1.64 1.79 2j42A1 LEU 518 HG 0.03 -0.17 0.03 -0.04 1.64 1.49 2j42A1 LEU 518 HD13 0.02 0.04 -0.09 -0.04 0.93 0.86 2j42A1 LEU 518 HD23 0.03 -0.00 -0.22 -0.04 0.89 0.66 2j42A1 THR 519 H 0.04 0.16 0.11 -0.55 8.28 8.04 2j42A1 THR 519 HA 0.03 0.14 0.79 -0.75 4.39 4.60 2j42A1 THR 519 HB 0.03 -0.11 -0.14 -0.04 4.32 4.05 2j42A1 THR 519 HG23 0.01 0.04 -0.57 -0.04 1.22 0.65 2j42A1 LEU 520 H 0.05 1.15 0.26 -0.55 8.37 9.28 2j42A1 LEU 520 HA 0.07 0.10 0.35 -0.75 4.35 4.12 2j42A1 LEU 520 HB2 0.12 0.04 0.10 -0.04 1.64 1.86 2j42A1 LEU 520 HB3 0.11 -0.09 0.21 -0.04 1.64 1.82 2j42A1 LEU 520 HG 0.04 0.03 -0.45 -0.04 1.64 1.22 2j42A1 LEU 520 HD13 0.05 0.01 0.03 -0.04 0.93 0.98 2j42A1 LEU 520 HD23 0.15 -0.02 -0.01 -0.04 0.89 0.96 2j42A1 GLU 521 H 0.05 0.03 -0.29 -0.55 8.60 7.85 2j42A1 GLU 521 HA 0.06 0.17 0.50 -0.75 4.29 4.27 2j42A1 GLU 521 HB2 0.05 0.27 0.17 -0.04 2.09 2.54 2j42A1 GLU 521 HB3 0.06 -0.17 0.16 -0.04 1.99 2.00 2j42A1 GLU 521 HG2 0.14 -0.00 -0.32 -0.04 2.34 2.12 2j42A1 GLU 521 HG3 0.14 0.04 -0.05 -0.04 2.34 2.43 2j42A1 GLN 522 H 0.06 0.09 0.00 -0.55 8.47 8.08 2j42A1 GLN 522 HA 0.08 0.06 0.30 -0.75 4.36 4.05 2j42A1 GLN 522 HB2 0.04 0.04 0.00 -0.04 2.15 2.19 2j42A1 GLN 522 HB3 0.05 0.06 0.10 -0.04 2.02 2.19 2j42A1 GLN 522 HG2 0.05 0.02 0.06 -0.04 2.40 2.49 2j42A1 GLN 522 HG3 0.05 -0.13 0.09 -0.04 2.39 2.36 2j42A1 GLN 522 HE21 0.02 0.05 -0.01 -0.04 6.97 6.99 2j42A1 GLN 522 HE22 0.03 -0.02 0.00 -0.04 7.69 7.65 2j42A1 ALA 523 H 0.06 0.21 -0.93 -0.55 8.40 7.20 2j42A1 ALA 523 HA 0.02 0.08 0.50 -0.75 4.34 4.18 2j42A1 ALA 523 HB3 0.03 0.03 -0.01 -0.04 1.41 1.43 2j42A1 LEU 524 H 0.11 0.59 -0.03 -0.55 8.37 8.50 2j42A1 LEU 524 HA 0.13 0.05 0.62 -0.75 4.35 4.39 2j42A1 LEU 524 HB2 0.12 0.30 0.31 -0.04 1.64 2.33 2j42A1 LEU 524 HB3 0.31 -0.04 0.17 -0.04 1.64 2.03 2j42A1 LEU 524 HG 0.37 -0.03 0.05 -0.04 1.64 2.00 2j42A1 LEU 524 HD13 0.22 0.01 -0.06 -0.04 0.93 1.06 2j42A1 LEU 524 HD23 -0.05 -0.01 0.01 -0.04 0.89 0.79 2j42A1 VAL 525 H 0.10 0.17 -0.79 -0.55 8.24 7.17 2j42A1 VAL 525 HA 0.12 0.19 0.84 -0.75 4.13 4.53 2j42A1 VAL 525 HB 0.12 -0.01 -0.07 -0.04 2.12 2.12 2j42A1 VAL 525 HG13 0.06 -0.01 -0.15 -0.04 0.97 0.82 2j42A1 VAL 525 HG23 0.14 0.01 -0.09 -0.04 0.95 0.98 2j42A1 LYS 526 H 0.02 0.20 -0.05 -0.55 8.42 8.04 2j42A1 LYS 526 HA 0.02 0.15 0.89 -0.75 4.32 4.63 2j42A1 LYS 526 HB2 -0.00 0.05 0.13 -0.04 1.87 2.00 2j42A1 LYS 526 HB3 0.04 -0.01 0.08 -0.04 1.79 1.86 2j42A1 LYS 526 HG2 0.04 0.01 0.10 -0.04 1.46 1.57 2j42A1 LYS 526 HG3 0.00 0.04 0.06 -0.04 1.46 1.52 2j42A1 LYS 526 HD2 0.03 -0.05 -0.01 -0.04 1.69 1.62 2j42A1 LYS 526 HD3 0.05 -0.05 0.02 -0.04 1.68 1.66 2j42A1 LYS 526 HE2 0.06 -0.09 -0.04 -0.04 2.99 2.89 2j42A1 LYS 526 HE3 0.05 -0.03 0.06 -0.04 2.99 3.03 2j42A1 ALA 527 H -0.10 -0.03 -0.02 -0.55 8.40 7.71 2j42A1 ALA 527 HA -0.25 0.23 0.81 -0.75 4.34 4.37 2j42A1 ALA 527 HB3 -0.63 0.02 0.05 -0.04 1.41 0.81 2j42A1 PHE 528 H -0.03 -0.05 -0.19 -0.55 8.34 7.52 2j42A1 PHE 528 HA 0.09 0.22 0.68 -0.75 4.62 4.86 2j42A1 PHE 528 HB2 0.08 0.04 -0.10 -0.04 3.15 3.13 2j42A1 PHE 528 HB3 0.04 -0.03 0.09 -0.04 3.06 3.12 2j42A1 PHE 528 HD2 0.06 0.02 -0.09 -0.04 7.28 7.22 2j42A1 PHE 528 HE2 0.03 0.11 -0.12 -0.04 7.38 7.37 2j42A1 PHE 528 HZ 0.03 -0.09 -0.71 -0.04 7.32 6.51 2j42A1 ARG 529 H 0.08 0.00 -0.39 -0.55 8.46 7.61 2j42A1 ARG 529 HA 0.05 0.12 0.24 -0.75 4.34 3.99 2j42A1 ARG 529 HB2 0.13 0.11 0.03 -0.04 1.90 2.12 2j42A1 ARG 529 HB3 0.01 -0.04 0.01 -0.04 1.80 1.75 2j42A1 ARG 529 HG2 0.05 0.07 -0.16 -0.04 1.67 1.59 2j42A1 ARG 529 HG3 0.11 -0.05 -0.44 -0.04 1.67 1.25 2j42A1 ARG 529 HD2 0.03 0.00 -0.11 -0.04 3.22 3.10 2j42A1 ARG 529 HD3 0.05 -0.06 -0.22 -0.04 3.22 2.95 2j42A1 LEU 530 H 0.00 0.17 -0.07 -0.55 8.37 7.93 2j42A1 LEU 530 HA -0.22 0.16 0.86 -0.75 4.35 4.39 2j42A1 LEU 530 HB2 -0.47 0.11 0.25 -0.04 1.64 1.48 2j42A1 LEU 530 HB3 -0.96 0.04 0.06 -0.04 1.64 0.74 2j42A1 LEU 530 HG 0.34 0.30 -0.54 -0.04 1.64 1.70 2j42A1 LEU 530 HD13 0.39 0.02 -0.43 -0.04 0.93 0.87 2j42A1 LEU 530 HD23 0.41 -0.02 -0.10 -0.04 0.89 1.13 2j42A1 GLU 531 H -0.20 0.09 0.01 -0.55 8.60 7.96 2j42A1 GLU 531 HA -0.03 0.14 0.53 -0.75 4.29 4.18 2j42A1 GLU 531 HB2 -0.02 0.01 0.02 -0.04 2.09 2.07 2j42A1 GLU 531 HB3 0.03 -0.18 0.14 -0.04 1.99 1.93 2j42A1 GLU 531 HG2 -0.03 0.01 -0.05 -0.04 2.34 2.22 2j42A1 GLU 531 HG3 -0.05 0.04 -0.05 -0.04 2.34 2.25 2j42A1 LYS 532 H 0.06 0.23 0.06 -0.55 8.42 8.22 2j42A1 LYS 532 HA 0.06 0.30 0.77 -0.75 4.32 4.69 2j42A1 LYS 532 HB2 0.03 0.08 0.03 -0.04 1.87 1.97 2j42A1 LYS 532 HB3 0.00 -0.35 -0.11 -0.04 1.79 1.28 2j42A1 LYS 532 HG2 0.12 0.08 -0.53 -0.04 1.46 1.08 2j42A1 LYS 532 HG3 0.09 0.05 -0.39 -0.04 1.46 1.18 2j42A1 LYS 532 HD2 0.07 0.01 -0.40 -0.04 1.69 1.33 2j42A1 LYS 532 HD3 0.11 0.07 -0.17 -0.04 1.68 1.65 2j42A1 LYS 532 HE2 0.04 0.02 -0.06 -0.04 2.99 2.95 2j42A1 LYS 532 HE3 0.02 -0.09 -0.04 -0.04 2.99 2.84 2j42A1 LYS 533 H -0.57 0.28 0.07 -0.55 8.42 7.65 2j42A1 LYS 533 HA -0.13 0.18 0.49 -0.75 4.32 4.11 2j42A1 LYS 533 HB2 -0.76 0.03 0.08 -0.04 1.87 1.17 2j42A1 LYS 533 HB3 -0.54 -0.09 0.16 -0.04 1.79 1.28 2j42A1 LYS 533 HG2 -0.18 -0.03 -0.11 -0.04 1.46 1.10 2j42A1 LYS 533 HG3 -0.13 0.06 -0.03 -0.04 1.46 1.33 2j42A1 LYS 533 HD2 -0.08 0.02 -0.01 -0.04 1.69 1.58 2j42A1 LYS 533 HD3 -0.18 -0.01 -0.02 -0.04 1.68 1.44 2j42A1 LYS 533 HE2 -0.06 -0.02 -0.03 -0.04 2.99 2.83 2j42A1 LYS 533 HE3 -0.07 0.01 -0.03 -0.04 2.99 2.87 2j42A1 ASN 534 H -0.20 0.04 -0.01 -0.55 8.53 7.82 2j42A1 ASN 534 HA -0.06 0.30 0.80 -0.75 4.76 5.04 2j42A1 ASN 534 HB2 -0.08 -0.01 0.07 -0.04 2.88 2.82 2j42A1 ASN 534 HB3 -0.05 0.02 0.13 -0.04 2.79 2.85 2j42A1 ASN 534 HD21 -0.06 -0.00 -0.12 -0.04 7.03 6.80 2j42A1 ASN 534 HD22 -0.05 0.08 -0.05 -0.04 7.74 7.67 2j42A1 GLY 535 H -0.05 0.19 -0.43 -0.55 8.43 7.59 2j42A1 GLY 535 HA2 0.01 0.05 0.19 -0.51 4.01 3.75 2j42A1 GLY 535 HA3 -0.00 0.14 0.50 -0.51 4.01 4.13 2j42A1 LYS 536 H -0.07 -0.15 -0.21 -0.55 8.42 7.43 2j42A1 LYS 536 HA 0.06 0.23 0.89 -0.75 4.32 4.75 2j42A1 LYS 536 HB2 -0.12 -0.16 0.03 -0.04 1.87 1.58 2j42A1 LYS 536 HB3 0.01 0.11 -0.09 -0.04 1.79 1.79 2j42A1 LYS 536 HG2 0.01 0.07 -0.12 -0.04 1.46 1.38 2j42A1 LYS 536 HG3 -0.03 0.06 -0.43 -0.04 1.46 1.02 2j42A1 LYS 536 HD2 -0.06 -0.06 -0.07 -0.04 1.69 1.46 2j42A1 LYS 536 HD3 -0.02 0.02 -0.06 -0.04 1.68 1.59 2j42A1 LYS 536 HE2 -0.00 0.00 -0.04 -0.04 2.99 2.91 2j42A1 LYS 536 HE3 -0.02 0.05 -0.06 -0.04 2.99 2.92 2j42A1 PHE 537 H 0.25 0.15 0.02 -0.55 8.34 8.20 2j42A1 PHE 537 HA 0.18 0.25 0.38 -0.75 4.62 4.67 2j42A1 PHE 537 HB2 0.08 -0.04 0.07 -0.04 3.15 3.22 2j42A1 PHE 537 HB3 0.09 -0.08 0.09 -0.04 3.06 3.12 2j42A1 PHE 537 HD2 0.11 -0.10 -0.23 -0.04 7.28 7.02 2j42A1 PHE 537 HE2 0.10 0.03 -0.11 -0.04 7.38 7.36 2j42A1 PHE 537 HZ 0.13 0.04 0.02 -0.04 7.32 7.48 2j42A1 TYR 538 H 0.10 0.44 0.24 -0.55 8.29 8.52 2j42A1 TYR 538 HA 0.13 0.29 0.54 -0.75 4.56 4.77 2j42A1 TYR 538 HB2 0.04 -0.04 -0.19 -0.04 3.06 2.82 2j42A1 TYR 538 HB3 0.03 0.05 -0.31 -0.04 2.98 2.72 2j42A1 TYR 538 HD2 -0.08 0.13 0.05 -0.04 7.15 7.21 2j42A1 TYR 538 HE2 -0.10 -0.03 -0.34 -0.04 6.85 6.34 2j42A1 PHE 539 H 0.21 0.56 -0.08 -0.55 8.34 8.47 2j42A1 PHE 539 HA -0.20 0.19 0.92 -0.75 4.62 4.78 2j42A1 PHE 539 HB2 0.05 0.05 -0.08 -0.04 3.15 3.12 2j42A1 PHE 539 HB3 0.06 0.07 0.18 -0.04 3.06 3.33 2j42A1 PHE 539 HD2 0.02 0.07 0.07 -0.04 7.28 7.40 2j42A1 PHE 539 HE2 -0.01 0.11 -0.00 -0.04 7.38 7.44 2j42A1 PHE 539 HZ -0.04 -0.07 0.03 -0.04 7.32 7.19 2j42A1 HIS 540 H -0.62 0.19 0.01 -0.55 8.41 7.45 2j42A1 HIS 540 HA -0.29 0.03 0.32 -0.75 4.63 3.92 2j42A1 HIS 540 HB2 -0.35 0.37 0.15 -0.04 3.26 3.39 2j42A1 HIS 540 HB3 -0.19 -0.04 0.29 -0.04 3.20 3.22 2j42A1 HIS 540 HD2 -0.18 -0.04 0.04 -0.04 6.97 6.75 2j42A1 HIS 540 HE1 -0.44 0.07 0.00 -0.04 7.75 7.34 2j42A1 GLY 541 H -0.01 0.05 -0.32 -0.55 8.43 7.59 2j42A1 GLY 541 HA2 0.34 -0.03 0.24 -0.51 4.01 4.05 2j42A1 GLY 541 HA3 0.13 0.17 0.63 -0.51 4.01 4.43 2j42A1 MET 542 H 0.13 0.34 -0.70 -0.55 8.47 7.69 2j42A1 MET 542 HA 0.11 -0.08 0.35 -0.75 4.52 4.15 2j42A1 MET 542 HB2 0.27 0.15 0.18 -0.04 2.15 2.70 2j42A1 MET 542 HB3 0.15 0.07 0.03 -0.04 2.03 2.24 2j42A1 MET 542 HG2 0.09 -0.08 0.05 -0.04 2.63 2.65 2j42A1 MET 542 HG3 0.11 0.01 0.05 -0.04 2.56 2.68 2j42A1 MET 542 HE3 0.15 0.09 0.07 -0.04 2.10 2.37 2j42A1 GLU 543 H 0.10 0.01 0.19 -0.55 8.60 8.35 2j42A1 GLU 543 HA 0.15 0.07 0.32 -0.75 4.29 4.08 2j42A1 GLU 543 HB2 0.07 0.04 0.09 -0.04 2.09 2.25 2j42A1 GLU 543 HB3 0.08 -0.18 -0.02 -0.04 1.99 1.82 2j42A1 GLU 543 HG2 0.08 0.04 0.09 -0.04 2.34 2.51 2j42A1 GLU 543 HG3 0.06 0.01 0.07 -0.04 2.34 2.44 2j42A1 ILE 544 H 0.13 -0.10 0.20 -0.55 8.25 7.92 2j42A1 ILE 544 HA 0.14 0.25 0.82 -0.75 4.18 4.63 2j42A1 ILE 544 HB 0.48 0.13 -0.15 -0.04 1.89 2.32 2j42A1 ILE 544 HG12 -0.37 -0.03 -0.02 -0.04 1.49 1.03 2j42A1 ILE 544 HG13 -0.07 -0.08 0.01 -0.04 1.21 1.03 2j42A1 ILE 544 HG23 0.16 -0.05 -0.03 -0.04 0.93 0.97 2j42A1 ILE 544 HD13 -0.03 0.01 0.09 -0.04 0.88 0.91 2j42A1 SER 545 H 0.07 -0.11 -0.01 -0.55 8.46 7.85 2j42A1 SER 545 HA 0.01 0.19 0.65 -0.75 4.49 4.59 2j42A1 SER 545 HB2 0.03 0.02 0.07 -0.04 3.95 4.02 2j42A1 SER 545 HB3 0.02 -0.00 0.09 -0.04 3.93 4.00 2j42A1 LYS 549 HA 0.02 -0.03 0.10 -0.75 4.32 3.66 2j42A1 LYS 549 HB2 0.06 0.14 -0.11 -0.04 1.87 1.93 2j42A1 LYS 549 HB3 0.04 0.12 0.10 -0.04 1.79 2.00 2j42A1 LYS 549 HG2 0.04 0.04 0.05 -0.04 1.46 1.55 2j42A1 LYS 549 HG3 0.05 -0.15 -0.04 -0.04 1.46 1.28 2j42A1 LYS 549 HD2 0.08 0.00 0.02 -0.04 1.69 1.76 2j42A1 LYS 549 HD3 0.05 0.10 0.03 -0.04 1.68 1.83 2j42A1 LYS 549 HE2 0.04 0.05 0.03 -0.04 2.99 3.07 2j42A1 LYS 549 HE3 0.07 -0.14 0.11 -0.04 2.99 2.99 2j42A1 ILE 550 H 0.01 0.26 -0.12 -0.55 8.25 7.85 2j42A1 ILE 550 HA -0.02 -0.03 0.84 -0.75 4.18 4.21 2j42A1 ILE 550 HB -0.06 0.10 0.00 -0.04 1.89 1.90 2j42A1 ILE 550 HG12 -0.04 -0.06 -0.08 -0.04 1.49 1.27 2j42A1 ILE 550 HG13 -0.05 0.23 -0.34 -0.04 1.21 1.01 2j42A1 ILE 550 HG23 0.04 0.01 -0.19 -0.04 0.93 0.76 2j42A1 ILE 550 HD13 -0.04 -0.02 -0.04 -0.04 0.88 0.74 2j42A1 GLN 551 H -0.01 0.02 -0.13 -0.55 8.47 7.81 2j42A1 GLN 551 HA -0.03 0.17 0.59 -0.75 4.36 4.33 2j42A1 GLN 551 HB2 0.06 -0.10 -0.01 -0.04 2.15 2.05 2j42A1 GLN 551 HB3 -0.00 -0.01 0.13 -0.04 2.02 2.10 2j42A1 GLN 551 HG2 0.01 -0.02 -0.17 -0.04 2.40 2.18 2j42A1 GLN 551 HG3 0.01 0.02 -0.06 -0.04 2.39 2.32 2j42A1 GLN 551 HE21 -0.05 0.01 -0.04 -0.04 6.97 6.85 2j42A1 GLN 551 HE22 -0.07 -0.04 0.03 -0.04 7.69 7.57 2j42A1 VAL 552 H -0.09 0.16 0.16 -0.55 8.24 7.92 2j42A1 VAL 552 HA -0.01 0.33 0.93 -0.75 4.13 4.63 2j42A1 VAL 552 HB -0.18 -0.06 -0.00 -0.04 2.12 1.83 2j42A1 VAL 552 HG13 -0.14 -0.02 0.07 -0.04 0.97 0.84 2j42A1 VAL 552 HG23 -0.11 0.03 -0.18 -0.04 0.95 0.65 2j42A1 PHE 553 H 0.04 0.33 0.05 -0.55 8.34 8.21 2j42A1 PHE 553 HA -0.06 0.06 0.52 -0.75 4.62 4.38 2j42A1 PHE 553 HB2 -0.05 -0.08 -0.44 -0.04 3.15 2.54 2j42A1 PHE 553 HB3 -0.04 0.03 0.12 -0.04 3.06 3.14 2j42A1 PHE 553 HD2 -0.04 -0.05 -0.20 -0.04 7.28 6.95 2j42A1 PHE 553 HE2 -0.03 -0.04 -0.04 -0.04 7.38 7.22 2j42A1 PHE 553 HZ -0.03 -0.03 -0.03 -0.04 7.32 7.18 2j42A1 LEU 554 H -0.08 0.04 0.04 -0.55 8.37 7.83 2j42A1 LEU 554 HA 0.02 0.15 0.64 -0.75 4.35 4.41 2j42A1 LEU 554 HB2 -0.11 -0.05 0.05 -0.04 1.64 1.49 2j42A1 LEU 554 HB3 -0.02 -0.13 0.15 -0.04 1.64 1.60 2j42A1 LEU 554 HG -0.07 -0.00 0.05 -0.04 1.64 1.58 2j42A1 LEU 554 HD13 -0.33 -0.00 -0.03 -0.04 0.93 0.53 2j42A1 LEU 554 HD23 0.02 0.04 -0.00 -0.04 0.89 0.91 2j42A1 ASP 555 H 0.02 0.10 0.17 -0.55 8.40 8.14 2j42A1 ASP 555 HA 0.03 0.25 0.88 -0.75 4.63 5.04 2j42A1 ASP 555 HB2 0.03 -0.08 0.19 -0.04 2.71 2.80 2j42A1 ASP 555 HB3 0.03 0.22 0.11 -0.04 2.70 3.02 2j42A1 ARG 556 H 0.02 0.18 0.12 -0.55 8.46 8.23 2j42A1 ARG 556 HA 0.01 0.09 0.37 -0.75 4.34 4.05 2j42A1 ARG 556 HB2 0.01 0.03 0.18 -0.04 1.90 2.08 2j42A1 ARG 556 HB3 0.01 -0.04 0.16 -0.04 1.80 1.89 2j42A1 ARG 556 HG2 0.01 -0.03 -0.04 -0.04 1.67 1.57 2j42A1 ARG 556 HG3 0.01 0.06 0.06 -0.04 1.67 1.75 2j42A1 ARG 556 HD2 0.01 -0.00 -0.04 -0.04 3.22 3.14 2j42A1 ARG 556 HD3 0.01 0.08 -0.10 -0.04 3.22 3.16 2j42A1 ASN 557 H 0.02 0.15 -0.16 -0.55 8.53 7.99 2j42A1 ASN 557 HA 0.02 0.06 0.38 -0.75 4.76 4.46 2j42A1 ASN 557 HB2 0.03 0.05 0.15 -0.04 2.88 3.07 2j42A1 ASN 557 HB3 0.02 0.07 0.07 -0.04 2.79 2.90 2j42A1 ASN 557 HD21 0.02 -0.00 0.05 -0.04 7.03 7.06 2j42A1 ASN 557 HD22 0.02 0.08 0.09 -0.04 7.74 7.89 2j42A1 THR 558 H 0.03 0.20 -0.00 -0.55 8.28 7.96 2j42A1 THR 558 HA 0.05 -0.00 0.29 -0.75 4.39 3.98 2j42A1 THR 558 HB 0.09 0.03 0.00 -0.04 4.32 4.41 2j42A1 THR 558 HG23 0.05 0.03 0.04 -0.04 1.22 1.31 2j42A1 ASN 559 H 0.02 0.39 -0.90 -0.55 8.53 7.49 2j42A1 ASN 559 HA 0.01 0.01 0.40 -0.75 4.76 4.43 2j42A1 ASN 559 HB2 -0.01 0.12 -0.01 -0.04 2.88 2.95 2j42A1 ASN 559 HB3 0.01 0.08 0.18 -0.04 2.79 3.02 2j42A1 ASN 559 HD21 -0.03 -0.01 -0.05 -0.04 7.03 6.89 2j42A1 ASN 559 HD22 -0.01 0.00 -0.05 -0.04 7.74 7.64 2j42A1 VAL 560 H 0.03 0.61 0.21 -0.55 8.24 8.53 2j42A1 VAL 560 HA 0.03 0.05 0.58 -0.75 4.13 4.03 2j42A1 VAL 560 HB 0.01 0.14 0.24 -0.04 2.12 2.47 2j42A1 VAL 560 HG13 -0.00 -0.01 -0.14 -0.04 0.97 0.78 2j42A1 VAL 560 HG23 0.01 -0.00 0.06 -0.04 0.95 0.98 2j42A1 ASP 561 H 0.04 0.60 -0.08 -0.55 8.40 8.41 2j42A1 ASP 561 HA -0.02 0.03 0.41 -0.75 4.63 4.29 2j42A1 ASP 561 HB2 0.04 -0.02 0.03 -0.04 2.71 2.71 2j42A1 ASP 561 HB3 -0.02 0.03 0.06 -0.04 2.70 2.73 2j42A1 PHE 562 H 0.16 0.32 -0.76 -0.55 8.34 7.50 2j42A1 PHE 562 HA -0.02 0.04 0.73 -0.75 4.62 4.62 2j42A1 PHE 562 HB2 -0.02 0.29 0.17 -0.04 3.15 3.55 2j42A1 PHE 562 HB3 -0.03 0.10 0.13 -0.04 3.06 3.22 2j42A1 PHE 562 HD2 -0.02 0.04 -0.05 -0.04 7.28 7.20 2j42A1 PHE 562 HE2 -0.02 -0.01 0.00 -0.04 7.38 7.31 2j42A1 PHE 562 HZ -0.03 -0.01 -0.00 -0.04 7.32 7.24 2j42A1 GLU 563 H 0.09 0.27 -0.14 -0.55 8.60 8.28 2j42A1 GLU 563 HA 0.05 0.01 0.50 -0.75 4.29 4.10 2j42A1 GLU 563 HB2 0.03 0.10 0.31 -0.04 2.09 2.49 2j42A1 GLU 563 HB3 0.01 -0.04 0.09 -0.04 1.99 2.00 2j42A1 GLU 563 HG2 0.04 -0.04 0.07 -0.04 2.34 2.37 2j42A1 GLU 563 HG3 0.07 0.12 0.08 -0.04 2.34 2.57 2j42A1 ASN 564 H -0.02 0.29 -0.36 -0.55 8.53 7.89 2j42A1 ASN 564 HA -0.05 0.08 0.54 -0.75 4.76 4.58 2j42A1 ASN 564 HB2 -0.07 0.07 0.11 -0.04 2.88 2.95 2j42A1 ASN 564 HB3 -0.06 -0.02 0.01 -0.04 2.79 2.68 2j42A1 ASN 564 HD21 -0.03 -0.05 -0.09 -0.04 7.03 6.82 2j42A1 ASN 564 HD22 -0.06 0.00 -0.02 -0.04 7.74 7.62 2j42A1 GLN 565 H -0.12 0.48 -0.11 -0.55 8.47 8.17 2j42A1 GLN 565 HA -0.14 0.03 0.32 -0.75 4.36 3.82 2j42A1 GLN 565 HB2 -0.33 0.05 0.30 -0.04 2.15 2.13 2j42A1 GLN 565 HB3 -0.36 -0.08 -0.05 -0.04 2.02 1.49 2j42A1 GLN 565 HG2 -0.12 -0.04 0.11 -0.04 2.40 2.31 2j42A1 GLN 565 HG3 -0.11 0.13 0.16 -0.04 2.39 2.53 2j42A1 GLN 565 HE21 -0.02 0.05 -0.04 -0.04 6.97 6.92 2j42A1 GLN 565 HE22 -0.24 -0.01 0.04 -0.04 7.69 7.44 2j42A1 LEU 566 H -0.30 0.70 -0.29 -0.55 8.37 7.93 2j42A1 LEU 566 HA -0.24 -0.07 0.41 -0.75 4.35 3.69 2j42A1 LEU 566 HB2 -0.36 0.14 0.14 -0.04 1.64 1.52 2j42A1 LEU 566 HB3 -0.06 -0.04 0.13 -0.04 1.64 1.63 2j42A1 LEU 566 HG -0.03 -0.14 0.02 -0.04 1.64 1.45 2j42A1 LEU 566 HD13 0.19 0.00 -0.02 -0.04 0.93 1.06 2j42A1 LEU 566 HD23 -0.02 -0.01 -0.27 -0.04 0.89 0.55 2j42A1 LYS 567 H -0.07 0.31 -0.14 -0.55 8.42 7.98 2j42A1 LYS 567 HA -0.03 -0.02 0.34 -0.75 4.32 3.86 2j42A1 LYS 567 HB2 -0.04 0.72 0.36 -0.04 1.87 2.87 2j42A1 LYS 567 HB3 -0.03 -0.05 0.02 -0.04 1.79 1.69 2j42A1 LYS 567 HG2 -0.01 -0.05 0.12 -0.04 1.46 1.47 2j42A1 LYS 567 HG3 -0.02 -0.07 0.06 -0.04 1.46 1.39 2j42A1 LYS 567 HD2 -0.02 0.09 0.17 -0.04 1.69 1.89 2j42A1 LYS 567 HD3 -0.01 -0.06 0.06 -0.04 1.68 1.63 2j42A1 LYS 567 HE2 -0.01 -0.02 0.02 -0.04 2.99 2.94 2j42A1 LYS 567 HE3 -0.01 -0.05 0.02 -0.04 2.99 2.90 2j42A1 ASN 568 H -0.07 0.47 -0.39 -0.55 8.53 8.00 2j42A1 ASN 568 HA -0.04 -0.06 0.37 -0.75 4.76 4.27 2j42A1 ASN 568 HB2 -0.07 0.13 -0.00 -0.04 2.88 2.89 2j42A1 ASN 568 HB3 -0.05 -0.10 0.06 -0.04 2.79 2.65 2j42A1 ASN 568 HD21 -0.06 -0.16 -0.16 -0.04 7.03 6.60 2j42A1 ASN 568 HD22 -0.07 -0.04 -0.11 -0.04 7.74 7.48 2j42A1 THR 569 H -0.07 0.69 -0.46 -0.55 8.28 7.89 2j42A1 THR 569 HA -0.04 0.13 0.91 -0.75 4.39 4.64 2j42A1 THR 569 HB -0.07 -0.32 0.20 -0.04 4.32 4.09 2j42A1 THR 569 HG23 -0.04 -0.01 0.03 -0.04 1.22 1.16 2j42A1 ALA 570 H -0.04 0.02 0.01 -0.55 8.40 7.84 2j42A1 ALA 570 HA -0.02 0.06 0.46 -0.75 4.34 4.08 2j42A1 ALA 570 HB3 -0.01 0.06 -0.00 -0.04 1.41 1.41 2j42A1 ASN 571 H -0.00 0.19 0.06 -0.55 8.53 8.23 2j42A1 ASN 571 HA 0.04 0.03 0.38 -0.75 4.76 4.45 2j42A1 ASN 571 HB2 0.04 0.04 0.09 -0.04 2.88 3.01 2j42A1 ASN 571 HB3 0.02 -0.04 0.03 -0.04 2.79 2.76 2j42A1 ASN 571 HD21 0.03 0.08 -0.09 -0.04 7.03 7.01 2j42A1 ASN 571 HD22 0.07 -0.08 -0.05 -0.04 7.74 7.65 2j42A1 LYS 572 H 0.01 0.11 0.17 -0.55 8.42 8.16 2j42A1 LYS 572 HA 0.01 0.03 0.36 -0.75 4.32 3.98 2j42A1 LYS 572 HB2 0.00 0.07 0.14 -0.04 1.87 2.05 2j42A1 LYS 572 HB3 0.01 0.02 -0.00 -0.04 1.79 1.78 2j42A1 LYS 572 HG2 0.01 0.00 0.05 -0.04 1.46 1.48 2j42A1 LYS 572 HG3 0.01 0.01 0.10 -0.04 1.46 1.54 2j42A1 LYS 572 HD2 0.01 -0.09 0.12 -0.04 1.69 1.69 2j42A1 LYS 572 HD3 0.00 0.02 0.04 -0.04 1.68 1.70 2j42A1 LYS 572 HE2 0.00 0.00 0.02 -0.04 2.99 2.98 2j42A1 LYS 572 HE3 0.01 0.02 0.04 -0.04 2.99 3.02 2j42A1 ASP 573 H -0.00 0.17 -0.33 -0.55 8.40 7.69 2j42A1 ASP 573 HA 0.00 0.07 0.42 -0.75 4.63 4.37 2j42A1 ASP 573 HB2 -0.02 -0.20 -0.01 -0.04 2.71 2.45 2j42A1 ASP 573 HB3 -0.01 0.04 0.06 -0.04 2.70 2.75 2j42A1 ILE 574 H 0.00 0.60 0.05 -0.55 8.25 8.36 2j42A1 ILE 574 HA 0.02 -0.05 0.30 -0.75 4.18 3.69 2j42A1 ILE 574 HB 0.01 0.10 -0.28 -0.04 1.89 1.68 2j42A1 ILE 574 HG12 0.03 -0.13 0.12 -0.04 1.49 1.46 2j42A1 ILE 574 HG13 0.03 -0.02 0.00 -0.04 1.21 1.19 2j42A1 ILE 574 HG23 0.03 0.07 -0.04 -0.04 0.93 0.95 2j42A1 ILE 574 HD13 -0.07 0.02 -0.03 -0.04 0.88 0.76 2j42A1 MET 575 H -0.00 -0.00 -0.85 -0.55 8.47 7.07 2j42A1 MET 575 HA 0.02 0.15 0.90 -0.75 4.52 4.83 2j42A1 MET 575 HB2 0.00 0.03 0.02 -0.04 2.15 2.16 2j42A1 MET 575 HB3 0.00 -0.02 0.17 -0.04 2.03 2.14 2j42A1 MET 575 HG2 0.02 -0.06 0.03 -0.04 2.63 2.58 2j42A1 MET 575 HG3 0.03 0.09 -0.18 -0.04 2.56 2.45 2j42A1 MET 575 HE3 0.00 -0.02 0.02 -0.04 2.10 2.06 2j42A1 ASN 576 H -0.03 -0.01 -0.15 -0.55 8.53 7.79 2j42A1 ASN 576 HA -0.03 0.25 0.77 -0.75 4.76 5.00 2j42A1 ASN 576 HB2 -0.08 0.00 -0.04 -0.04 2.88 2.73 2j42A1 ASN 576 HB3 -0.06 0.06 0.12 -0.04 2.79 2.88 2j42A1 ASN 576 HD21 -0.02 -0.01 -0.12 -0.04 7.03 6.84 2j42A1 ASN 576 HD22 -0.02 0.08 -0.00 -0.04 7.74 7.76 2j42A1 CYS 577 H -0.02 -0.02 -0.14 -0.55 8.50 7.77 2j42A1 CYS 577 HA -0.10 0.20 0.55 -0.75 4.58 4.48 2j42A1 CYS 577 HB2 0.11 0.00 0.25 -0.04 2.97 3.28 2j42A1 CYS 577 HB3 -0.02 0.07 0.08 -0.04 2.97 3.06 2j42A1 ILE 578 H -0.03 0.43 -0.01 -0.55 8.25 8.10 2j42A1 ILE 578 HA 0.02 0.08 0.59 -0.75 4.18 4.12 2j42A1 ILE 578 HB -0.01 -0.02 0.11 -0.04 1.89 1.93 2j42A1 ILE 578 HG12 0.02 -0.05 0.01 -0.04 1.49 1.43 2j42A1 ILE 578 HG13 0.02 0.55 0.11 -0.04 1.21 1.85 2j42A1 ILE 578 HG23 0.02 0.00 -0.22 -0.04 0.93 0.69 2j42A1 ILE 578 HD13 0.00 -0.06 -0.14 -0.04 0.88 0.65 2j42A1 ILE 579 H 0.03 0.44 0.13 -0.55 8.25 8.30 2j42A1 ILE 579 HA 0.04 0.11 0.91 -0.75 4.18 4.48 2j42A1 ILE 579 HB 0.04 -0.05 -0.17 -0.04 1.89 1.68 2j42A1 ILE 579 HG12 0.07 0.02 -0.04 -0.04 1.49 1.49 2j42A1 ILE 579 HG13 0.06 -0.08 -0.28 -0.04 1.21 0.87 2j42A1 ILE 579 HG23 0.04 0.01 -0.21 -0.04 0.93 0.73 2j42A1 ILE 579 HD13 0.05 0.01 -0.03 -0.04 0.88 0.88 2j42A1 LYS 580 H 0.04 0.09 0.10 -0.55 8.42 8.10 2j42A1 LYS 580 HA 0.05 0.35 0.83 -0.75 4.32 4.80 2j42A1 LYS 580 HB2 0.05 -0.03 0.02 -0.04 1.87 1.87 2j42A1 LYS 580 HB3 0.08 -0.09 0.17 -0.04 1.79 1.91 2j42A1 LYS 580 HG2 0.12 -0.08 -0.04 -0.04 1.46 1.42 2j42A1 LYS 580 HG3 0.06 0.05 -0.40 -0.04 1.46 1.13 2j42A1 LYS 580 HD2 0.03 0.01 -0.04 -0.04 1.69 1.65 2j42A1 LYS 580 HD3 0.09 -0.11 -0.01 -0.04 1.68 1.62 2j42A1 LYS 580 HE2 -0.05 0.01 -0.09 -0.04 2.99 2.82 2j42A1 LYS 580 HE3 -0.00 0.05 -0.21 -0.04 2.99 2.78 2j42A1 ARG 581 H 0.05 0.08 0.15 -0.55 8.46 8.19 2j42A1 ARG 581 HA 0.03 0.14 0.23 -0.75 4.34 3.98 2j42A1 ARG 581 HB2 0.03 -0.21 0.02 -0.04 1.90 1.70 2j42A1 ARG 581 HB3 0.02 0.13 -0.04 -0.04 1.80 1.87 2j42A1 ARG 581 HG2 0.02 0.15 -0.11 -0.04 1.67 1.69 2j42A1 ARG 581 HG3 0.03 0.27 -0.10 -0.04 1.67 1.83 2j42A1 ARG 581 HD2 0.02 -0.33 -0.06 -0.04 3.22 2.81 2j42A1 ARG 581 HD3 0.01 0.17 0.08 -0.04 3.22 3.44 2j42A1 ASN 582 H 0.02 0.44 0.18 -0.55 8.53 8.63 2j42A1 ASN 582 HA 0.03 0.07 0.39 -0.75 4.76 4.49 2j42A1 ASN 582 HB2 0.03 0.07 -0.13 -0.04 2.88 2.81 2j42A1 ASN 582 HB3 0.02 -0.05 0.25 -0.04 2.79 2.97 2j42A1 ASN 582 HD21 0.01 0.01 -0.13 -0.04 7.03 6.87 2j42A1 ASN 582 HD22 0.02 -0.08 -0.29 -0.04 7.74 7.36 2j42A1 MET 583 H 0.04 0.15 -0.10 -0.55 8.47 8.00 2j42A1 MET 583 HA 0.04 0.06 0.68 -0.75 4.52 4.54 2j42A1 MET 583 HB2 0.04 0.27 0.16 -0.04 2.15 2.57 2j42A1 MET 583 HB3 0.05 0.00 0.14 -0.04 2.03 2.18 2j42A1 MET 583 HG2 0.04 -0.06 -0.01 -0.04 2.63 2.55 2j42A1 MET 583 HG3 0.04 0.02 -0.08 -0.04 2.56 2.50 2j42A1 MET 583 HE3 0.04 0.05 0.04 -0.04 2.10 2.18 2j42A1 ASN 584 H 0.04 0.41 0.04 -0.55 8.53 8.47 2j42A1 ASN 584 HA 0.05 -0.03 0.33 -0.75 4.76 4.35 2j42A1 ASN 584 HB2 0.03 0.19 0.24 -0.04 2.88 3.30 2j42A1 ASN 584 HB3 0.04 -0.10 0.03 -0.04 2.79 2.71 2j42A1 ASN 584 HD21 0.02 -0.14 -0.11 -0.04 7.03 6.75 2j42A1 ASN 584 HD22 0.03 0.05 -0.04 -0.04 7.74 7.74 2j42A1 ILE 585 H 0.06 0.16 0.13 -0.55 8.25 8.06 2j42A1 ILE 585 HA 0.05 0.06 0.84 -0.75 4.18 4.38 2j42A1 ILE 585 HB 0.08 0.11 0.04 -0.04 1.89 2.08 2j42A1 ILE 585 HG12 0.04 -0.16 -0.08 -0.04 1.49 1.24 2j42A1 ILE 585 HG13 0.05 0.35 -0.73 -0.04 1.21 0.84 2j42A1 ILE 585 HG23 0.05 -0.02 -0.08 -0.04 0.93 0.84 2j42A1 ILE 585 HD13 0.06 -0.02 -0.03 -0.04 0.88 0.85 2j42A1 LEU 586 H 0.08 0.40 0.09 -0.55 8.37 8.40 2j42A1 LEU 586 HA 0.02 0.13 0.90 -0.75 4.35 4.65 2j42A1 LEU 586 HB2 -0.02 0.00 -0.03 -0.04 1.64 1.55 2j42A1 LEU 586 HB3 0.07 0.23 0.09 -0.04 1.64 1.99 2j42A1 LEU 586 HG -0.03 -0.07 -0.38 -0.04 1.64 1.12 2j42A1 LEU 586 HD13 -0.12 -0.13 -0.14 -0.04 0.93 0.49 2j42A1 LEU 586 HD23 -0.52 -0.01 -0.11 -0.04 0.89 0.22 2j42A1 VAL 587 H -0.07 0.20 -0.09 -0.55 8.24 7.74 2j42A1 VAL 587 HA 0.03 -0.04 0.46 -0.75 4.13 3.82 2j42A1 VAL 587 HB -0.19 0.16 0.03 -0.04 2.12 2.09 2j42A1 VAL 587 HG13 -0.17 -0.01 -0.12 -0.04 0.97 0.62 2j42A1 VAL 587 HG23 -0.02 0.08 0.04 -0.04 0.95 1.00 2j42A1 LYS 588 H 0.07 0.03 -0.25 -0.55 8.42 7.71 2j42A1 LYS 588 HA -0.08 0.17 0.47 -0.75 4.32 4.13 2j42A1 LYS 588 HB2 0.08 -0.09 0.06 -0.04 1.87 1.87 2j42A1 LYS 588 HB3 -0.01 0.09 0.12 -0.04 1.79 1.95 2j42A1 LYS 588 HG2 0.05 -0.04 -0.16 -0.04 1.46 1.27 2j42A1 LYS 588 HG3 0.01 0.00 -0.06 -0.04 1.46 1.37 2j42A1 LYS 588 HD2 -0.15 0.04 -0.07 -0.04 1.69 1.47 2j42A1 LYS 588 HD3 -0.15 0.07 -0.26 -0.04 1.68 1.30 2j42A1 LYS 588 HE2 -0.72 -0.03 -0.17 -0.04 2.99 2.02 2j42A1 LYS 588 HE3 -0.52 -0.02 -0.10 -0.04 2.99 2.31 2j42A1 VAL 589 H -0.01 0.10 0.02 -0.55 8.24 7.80 2j42A1 VAL 589 HA -0.03 -0.13 0.47 -0.75 4.13 3.68 2j42A1 VAL 589 HB -0.07 0.03 -0.44 -0.04 2.12 1.60 2j42A1 VAL 589 HG13 -0.02 0.05 -0.18 -0.04 0.97 0.77 2j42A1 VAL 589 HG23 -0.07 0.09 0.17 -0.04 0.95 1.10 2j42A1 ILE 590 H -0.00 0.23 -0.13 -0.55 8.25 7.80 2j42A1 ILE 590 HA -0.00 0.03 0.62 -0.75 4.18 4.07 2j42A1 ILE 590 HB 0.00 -0.04 -0.00 -0.04 1.89 1.81 2j42A1 ILE 590 HG12 0.00 -0.08 -0.40 -0.04 1.49 0.97 2j42A1 ILE 590 HG13 0.01 0.15 -0.09 -0.04 1.21 1.24 2j42A1 ILE 590 HG23 0.00 -0.06 -0.14 -0.04 0.93 0.69 2j42A1 ILE 590 HD13 0.00 -0.03 -0.20 -0.04 0.88 0.61