============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. TRP 11 1.040 -20.577 -10.933 32.249 -99.200 -91.000 TRP6 11 1.020 -19.640 -12.404 33.847 -99.200 -91.000 PHE 21 1.000 -7.688 -7.845 34.879 -99.200 -91.000 TRP 22 1.040 -15.871 -4.443 39.209 -99.200 -91.000 TRP6 22 1.020 -15.711 -2.992 37.351 -99.200 -91.000 HIS 30 0.900 -4.266 -16.858 44.591 -99.200 -91.000 TYR 36 0.840 -15.076 -17.697 38.473 -99.200 -91.000 HIS 37 0.900 -12.548 -25.278 40.346 -99.200 -91.000 TYR 40 0.840 -20.428 -20.847 38.153 -99.200 -91.000 PHE 44 1.000 -14.900 -23.109 36.880 -99.200 -91.000 PHE 51 1.000 -6.379 -19.880 28.146 -99.200 -91.000 HIS 55 0.900 -10.217 -22.936 35.031 -99.200 -91.000 TYR 66 0.840 -2.137 -41.842 37.485 -99.200 -91.000 HIS 72 0.900 4.840 -39.243 23.621 -99.200 -91.000 TRP 81 1.040 11.121 -19.752 28.591 -99.200 -91.000 TRP6 81 1.020 10.800 -21.191 30.428 -99.200 -91.000 TYR 84 0.840 17.944 -17.833 23.336 -99.200 -91.000 HIS 87 0.900 17.169 -15.442 16.865 -99.200 -91.000 TYR 92 0.840 12.773 -26.667 21.604 -99.200 -91.000 TRP 102 1.040 8.756 -34.629 28.711 -99.200 -91.000 TRP6 102 1.020 7.548 -36.522 29.441 -99.200 -91.000 PHE 109 1.000 19.123 -34.667 33.043 -99.200 -91.000 PHE 133 1.000 20.065 -19.286 54.716 -99.200 -91.000 TYR 151 0.840 10.312 -15.294 47.804 -99.200 -91.000 TRP 157 1.040 19.670 -22.947 51.426 -99.200 -91.000 TRP6 157 1.020 17.549 -23.975 51.305 -99.200 -91.000 PHE 159 1.000 21.925 -19.118 41.589 -99.200 -91.000 TYR 167 0.840 25.131 -25.246 37.009 -99.200 -91.000 PHE 171 1.000 27.323 -20.950 40.597 -99.200 -91.000 PHE 185 1.000 23.387 -18.199 36.115 -99.200 -91.000 PHE 196 1.000 8.289 -16.586 30.815 -99.200 -91.000 HIS 207 0.900 6.941 -9.041 21.186 -99.200 -91.000 TRP 215 1.040 13.690 -11.230 19.296 -99.200 -91.000 TRP6 215 1.020 12.778 -13.401 19.535 -99.200 -91.000 HIS 218 0.900 12.631 -14.542 26.192 -99.200 -91.000 TRP 222 1.040 15.797 -17.334 27.643 -99.200 -91.000 TRP6 222 1.020 15.985 -19.323 28.914 -99.200 -91.000 PHE 226 1.000 20.693 -22.006 26.827 -99.200 -91.000 TYR 240 0.840 33.336 -35.981 38.720 -99.200 -91.000 PHE 248 1.000 23.237 -35.316 38.259 -99.200 -91.000 TYR 253 0.840 29.205 -35.869 27.000 -99.200 -91.000 HIS 257 0.900 25.554 -43.327 23.765 -99.200 -91.000 TYR 264 0.840 26.507 -26.989 27.031 -99.200 -91.000 TRP 284 1.040 4.423 -19.414 51.012 -99.200 -91.000 TRP6 284 1.020 2.861 -17.826 51.788 -99.200 -91.000 TYR 287 0.840 2.460 -16.917 57.524 -99.200 -91.000 TYR 323 0.840 3.930 -32.540 64.187 -99.200 -91.000 PHE 340 1.000 -3.463 -21.851 38.530 -99.200 -91.000 TYR 354 0.840 -20.496 -31.028 31.384 -99.200 -91.000 PHE 376 1.000 -7.017 -32.458 52.584 -99.200 -91.000 HIS 380 0.900 -11.396 -23.312 58.942 -99.200 -91.000 PHE 382 1.000 1.112 -26.422 59.769 -99.200 -91.000 TRP 387 1.040 -0.937 -34.082 56.050 -99.200 -91.000 TRP6 387 1.020 -1.780 -34.390 53.871 -99.200 -91.000 PHE 397 1.000 -5.095 -40.088 41.671 -99.200 -91.000 HIS 399 0.900 -0.435 -32.371 49.804 -99.200 -91.000 PHE 402 1.000 6.725 -31.462 45.303 -99.200 -91.000 HIS 420 0.900 11.456 -33.654 54.302 -99.200 -91.000 TRP 425 1.040 21.423 -28.011 59.203 -99.200 -91.000 TRP6 425 1.020 23.749 -27.650 59.394 -99.200 -91.000 TYR 430 0.840 18.710 -18.723 64.216 -99.200 -91.000 HIS 444 0.900 -0.172 -17.824 40.178 -99.200 -91.000 PHE 458 1.000 14.089 -16.855 60.757 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3k9yA1 ASN 54 HA -0.08 -0.04 0.13 -0.75 4.76 4.03 3k9yA1 ASN 54 HB2 -0.28 0.04 -0.10 -0.04 2.88 2.50 3k9yA1 ASN 54 HB3 -0.06 -0.32 0.06 -0.04 2.79 2.43 3k9yA1 ASN 54 HD21 -0.13 0.02 -0.01 -0.04 7.03 6.86 3k9yA1 ASN 54 HD22 -0.32 0.04 -0.05 -0.04 7.74 7.36 3k9yA1 VAL 55 H 0.01 -0.24 0.14 -0.55 8.24 7.60 3k9yA1 VAL 55 HA 0.11 0.24 0.72 -0.75 4.13 4.44 3k9yA1 VAL 55 HB 0.00 -0.06 0.00 -0.04 2.12 2.02 3k9yA1 VAL 55 HG13 0.01 0.01 0.02 -0.04 0.97 0.97 3k9yA1 VAL 55 HG23 -0.00 0.03 -0.24 -0.04 0.95 0.69 3k9yA1 THR 56 H 0.02 0.01 0.12 -0.55 8.28 7.88 3k9yA1 THR 56 HA 0.01 0.26 0.88 -0.75 4.39 4.79 3k9yA1 THR 56 HB -0.02 0.00 0.13 -0.04 4.32 4.39 3k9yA1 THR 56 HG23 -0.04 0.01 0.10 -0.04 1.22 1.25 3k9yA1 ASP 57 H 0.21 0.15 -0.36 -0.55 8.40 7.86 3k9yA1 ASP 57 HA 0.04 0.19 0.80 -0.75 4.63 4.90 3k9yA1 ASP 57 HB2 -0.02 -0.07 -0.03 -0.04 2.71 2.55 3k9yA1 ASP 57 HB3 0.08 0.08 -0.13 -0.04 2.70 2.69 3k9yA1 LEU 58 H 0.14 -0.03 -0.21 -0.55 8.37 7.72 3k9yA1 LEU 58 HA -0.22 0.01 0.24 -0.75 4.35 3.63 3k9yA1 LEU 58 HB2 -0.11 0.38 0.14 -0.04 1.64 2.01 3k9yA1 LEU 58 HB3 -0.11 -0.02 -0.04 -0.04 1.64 1.43 3k9yA1 LEU 58 HG -0.06 0.00 -0.70 -0.04 1.64 0.84 3k9yA1 LEU 58 HD13 -0.16 -0.03 -0.30 -0.04 0.93 0.40 3k9yA1 LEU 58 HD23 -0.04 -0.03 -0.17 -0.04 0.89 0.61 3k9yA1 PRO 59 HA -0.11 -0.05 -0.02 -0.51 4.44 3.74 3k9yA1 PRO 59 HB2 -0.32 -0.17 0.23 -0.04 2.28 1.98 3k9yA1 PRO 59 HB3 -0.08 0.06 0.12 -0.04 2.02 2.08 3k9yA1 PRO 59 HG2 -0.08 -0.00 0.11 -0.04 2.03 2.02 3k9yA1 PRO 59 HG3 0.02 -0.03 0.14 -0.04 2.03 2.11 3k9yA1 PRO 59 HD2 0.07 0.26 0.63 -0.04 3.68 4.60 3k9yA1 PRO 59 HD3 0.09 0.08 0.01 -0.04 3.65 3.80 3k9yA1 GLY 60 H -0.63 0.30 0.20 -0.55 8.43 7.75 3k9yA1 GLY 60 HA2 -0.59 0.01 0.34 -0.51 4.01 3.26 3k9yA1 GLY 60 HA3 -0.23 0.30 0.60 -0.51 4.01 4.16 3k9yA1 PRO 61 HA -0.08 0.05 0.65 -0.51 4.44 4.55 3k9yA1 PRO 61 HB2 0.27 0.05 0.08 -0.04 2.28 2.64 3k9yA1 PRO 61 HB3 -0.06 0.01 0.13 -0.04 2.02 2.05 3k9yA1 PRO 61 HG2 -0.13 0.03 0.14 -0.04 2.03 2.02 3k9yA1 PRO 61 HG3 -0.46 -0.03 0.08 -0.04 2.03 1.58 3k9yA1 PRO 61 HD2 -0.17 0.29 0.27 -0.04 3.68 4.02 3k9yA1 PRO 61 HD3 -0.48 0.10 0.12 -0.04 3.65 3.34 3k9yA1 THR 62 H -0.52 0.07 0.19 -0.55 8.28 7.48 3k9yA1 THR 62 HA -0.63 0.06 0.35 -0.75 4.39 3.41 3k9yA1 THR 62 HB -2.83 -0.02 0.13 -0.04 4.32 1.55 3k9yA1 THR 62 HG23 -1.16 -0.09 -0.03 -0.04 1.22 -0.10 3k9yA1 ASN 63 H -0.51 0.10 0.12 -0.55 8.53 7.70 3k9yA1 ASN 63 HA -0.22 0.18 0.64 -0.75 4.76 4.61 3k9yA1 ASN 63 HB2 -0.21 0.02 0.08 -0.04 2.88 2.74 3k9yA1 ASN 63 HB3 -0.16 -0.04 0.06 -0.04 2.79 2.61 3k9yA1 ASN 63 HD21 -0.01 0.03 0.00 -0.04 7.03 7.01 3k9yA1 ASN 63 HD22 -0.02 0.05 0.18 -0.04 7.74 7.91 3k9yA1 TRP 64 H -1.01 0.03 -0.62 -0.55 7.97 5.83 3k9yA1 TRP 64 HA -0.01 0.00 0.33 -0.75 4.62 4.19 3k9yA1 TRP 64 HB2 0.01 0.22 0.06 -0.04 3.23 3.47 3k9yA1 TRP 64 HB3 -0.01 0.01 0.06 -0.04 3.23 3.25 3k9yA1 TRP 64 HD1 -0.04 0.02 0.05 -0.04 7.22 7.21 3k9yA1 TRP 64 HE1 -0.04 0.02 0.03 -0.04 10.20 10.17 3k9yA1 TRP 64 HE3 0.01 0.09 -0.13 -0.04 7.59 7.52 3k9yA1 TRP 64 HZ2 -0.01 0.02 0.07 -0.04 7.44 7.48 3k9yA1 TRP 64 HZ3 0.03 -0.08 0.03 -0.04 7.13 7.07 3k9yA1 TRP 64 HH2 0.05 -0.01 0.09 -0.04 7.19 7.27 3k9yA1 PRO 65 HA 0.06 0.05 0.42 -0.51 4.44 4.46 3k9yA1 PRO 65 HB2 0.08 0.00 0.05 -0.04 2.28 2.37 3k9yA1 PRO 65 HB3 0.05 0.03 0.10 -0.04 2.02 2.17 3k9yA1 PRO 65 HG2 0.08 0.05 0.09 -0.04 2.03 2.20 3k9yA1 PRO 65 HG3 0.05 0.06 0.10 -0.04 2.03 2.20 3k9yA1 PRO 65 HD2 0.22 0.10 0.17 -0.04 3.68 4.13 3k9yA1 PRO 65 HD3 0.15 0.08 0.20 -0.04 3.65 4.04 3k9yA1 LEU 66 H 0.05 0.13 0.14 -0.55 8.37 8.14 3k9yA1 LEU 66 HA 0.05 0.03 0.40 -0.75 4.35 4.08 3k9yA1 LEU 66 HB2 0.06 0.06 -0.12 -0.04 1.64 1.60 3k9yA1 LEU 66 HB3 0.05 0.01 -0.02 -0.04 1.64 1.64 3k9yA1 LEU 66 HG 0.04 0.02 -0.03 -0.04 1.64 1.62 3k9yA1 LEU 66 HD13 0.03 0.01 0.05 -0.04 0.93 0.98 3k9yA1 LEU 66 HD23 0.04 -0.01 -0.05 -0.04 0.89 0.83 3k9yA1 LEU 67 H 0.11 1.16 0.69 -0.55 8.37 9.78 3k9yA1 LEU 67 HA 0.11 0.01 0.70 -0.75 4.35 4.42 3k9yA1 LEU 67 HB2 0.15 0.13 0.06 -0.04 1.64 1.94 3k9yA1 LEU 67 HB3 0.15 -0.18 -0.13 -0.04 1.64 1.43 3k9yA1 LEU 67 HG 0.11 -0.02 -0.07 -0.04 1.64 1.62 3k9yA1 LEU 67 HD13 0.09 -0.01 -0.06 -0.04 0.93 0.91 3k9yA1 LEU 67 HD23 0.08 -0.02 0.06 -0.04 0.89 0.97 3k9yA1 GLY 68 H 0.19 0.55 0.01 -0.55 8.43 8.63 3k9yA1 GLY 68 HA2 0.13 0.18 0.23 -0.51 4.01 4.04 3k9yA1 GLY 68 HA3 0.13 0.51 0.96 -0.51 4.01 5.10 3k9yA1 SER 69 H 0.18 0.37 0.21 -0.55 8.46 8.66 3k9yA1 SER 69 HA 0.53 0.15 0.70 -0.75 4.49 5.12 3k9yA1 SER 69 HB2 0.16 0.01 0.10 -0.04 3.95 4.18 3k9yA1 SER 69 HB3 0.28 -0.09 0.12 -0.04 3.93 4.20 3k9yA1 LEU 70 H 0.18 0.34 -0.61 -0.55 8.37 7.73 3k9yA1 LEU 70 HA 0.08 0.03 0.22 -0.75 4.35 3.92 3k9yA1 LEU 70 HB2 0.14 0.10 0.14 -0.04 1.64 1.98 3k9yA1 LEU 70 HB3 0.18 0.02 -0.07 -0.04 1.64 1.73 3k9yA1 LEU 70 HG 0.37 -0.01 0.08 -0.04 1.64 2.04 3k9yA1 LEU 70 HD13 0.06 -0.02 -0.00 -0.04 0.93 0.93 3k9yA1 LEU 70 HD23 0.15 0.01 0.00 -0.04 0.89 1.01 3k9yA1 LEU 71 H 0.13 -0.01 -1.56 -0.55 8.37 6.38 3k9yA1 LEU 71 HA 0.20 0.16 0.66 -0.75 4.35 4.63 3k9yA1 LEU 71 HB2 -0.06 0.11 -0.00 -0.04 1.64 1.65 3k9yA1 LEU 71 HB3 -0.38 -0.10 0.13 -0.04 1.64 1.24 3k9yA1 LEU 71 HG -0.21 -0.01 -0.07 -0.04 1.64 1.31 3k9yA1 LEU 71 HD13 0.09 0.01 0.00 -0.04 0.93 0.99 3k9yA1 LEU 71 HD23 -0.50 0.01 0.00 -0.04 0.89 0.36 3k9yA1 GLU 72 H -0.13 0.16 0.10 -0.55 8.60 8.19 3k9yA1 GLU 72 HA 0.07 0.11 0.30 -0.75 4.29 4.01 3k9yA1 GLU 72 HB2 0.18 0.00 0.08 -0.04 2.09 2.31 3k9yA1 GLU 72 HB3 0.07 0.08 -0.02 -0.04 1.99 2.09 3k9yA1 GLU 72 HG2 -0.32 0.04 0.08 -0.04 2.34 2.10 3k9yA1 GLU 72 HG3 -0.42 -0.06 0.17 -0.04 2.34 1.98 3k9yA1 ILE 73 H 0.09 0.43 -0.17 -0.55 8.25 8.04 3k9yA1 ILE 73 HA -0.06 0.03 0.15 -0.75 4.18 3.54 3k9yA1 ILE 73 HB -0.19 0.01 -0.20 -0.04 1.89 1.46 3k9yA1 ILE 73 HG12 0.12 0.22 -0.11 -0.04 1.49 1.68 3k9yA1 ILE 73 HG13 0.03 -0.04 -0.20 -0.04 1.21 0.96 3k9yA1 ILE 73 HG23 -0.38 -0.02 -0.22 -0.04 0.93 0.26 3k9yA1 ILE 73 HD13 0.12 -0.01 -0.10 -0.04 0.88 0.85 3k9yA1 PHE 74 H 0.15 0.51 -0.92 -0.55 8.34 7.52 3k9yA1 PHE 74 HA -0.00 -0.03 0.97 -0.75 4.62 4.80 3k9yA1 PHE 74 HB2 0.08 0.21 0.15 -0.04 3.15 3.55 3k9yA1 PHE 74 HB3 -0.03 -0.03 0.00 -0.04 3.06 2.96 3k9yA1 PHE 74 HD2 0.01 0.22 0.08 -0.04 7.28 7.54 3k9yA1 PHE 74 HE2 0.00 -0.03 0.04 -0.04 7.38 7.35 3k9yA1 PHE 74 HZ -0.01 -0.00 0.00 -0.04 7.32 7.27 3k9yA1 TRP 75 H 0.39 0.56 0.18 -0.55 7.97 8.55 3k9yA1 TRP 75 HA 0.01 0.02 0.41 -0.75 4.62 4.31 3k9yA1 TRP 75 HB2 -0.05 0.02 0.03 -0.04 3.23 3.20 3k9yA1 TRP 75 HB3 -0.06 -0.02 0.22 -0.04 3.23 3.32 3k9yA1 TRP 75 HD1 -0.04 0.02 0.06 -0.04 7.22 7.22 3k9yA1 TRP 75 HE1 -0.03 0.00 0.01 -0.04 10.20 10.14 3k9yA1 TRP 75 HE3 -0.04 0.02 -0.00 -0.04 7.59 7.53 3k9yA1 TRP 75 HZ2 -0.03 0.00 0.00 -0.04 7.44 7.37 3k9yA1 TRP 75 HZ3 -0.05 -0.00 -0.00 -0.04 7.13 7.03 3k9yA1 TRP 75 HH2 -0.04 -0.00 -0.00 -0.04 7.19 7.10 3k9yA1 LYS 76 H 0.06 0.59 -0.82 -0.55 8.42 7.69 3k9yA1 LYS 76 HA 0.04 0.04 0.37 -0.75 4.32 4.01 3k9yA1 LYS 76 HB2 0.00 0.09 -0.41 -0.04 1.87 1.51 3k9yA1 LYS 76 HB3 -0.03 -0.08 -0.01 -0.04 1.79 1.64 3k9yA1 LYS 76 HG2 0.04 -0.03 0.15 -0.04 1.46 1.59 3k9yA1 LYS 76 HG3 0.10 0.23 -0.31 -0.04 1.46 1.43 3k9yA1 LYS 76 HD2 0.00 -0.14 -0.29 -0.04 1.69 1.22 3k9yA1 LYS 76 HD3 -0.08 -0.04 -0.09 -0.04 1.68 1.44 3k9yA1 LYS 76 HE2 0.04 -0.01 -0.01 -0.04 2.99 2.97 3k9yA1 LYS 76 HE3 0.01 -0.05 -0.03 -0.04 2.99 2.88 3k9yA1 GLY 77 H 0.02 0.54 0.25 -0.55 8.43 8.68 3k9yA1 GLY 77 HA2 -0.02 -0.01 0.34 -0.51 4.01 3.81 3k9yA1 GLY 77 HA3 -0.04 0.17 0.85 -0.51 4.01 4.48 3k9yA1 GLY 78 H -0.08 0.55 0.37 -0.55 8.43 8.72 3k9yA1 GLY 78 HA2 -0.41 0.01 0.36 -0.51 4.01 3.45 3k9yA1 GLY 78 HA3 0.09 0.12 0.86 -0.51 4.01 4.57 3k9yA1 LEU 79 H -0.05 0.16 0.17 -0.55 8.37 8.11 3k9yA1 LEU 79 HA -0.16 0.08 0.45 -0.75 4.35 3.98 3k9yA1 LEU 79 HB2 -0.02 0.02 0.15 -0.04 1.64 1.75 3k9yA1 LEU 79 HB3 -0.08 0.05 -0.00 -0.04 1.64 1.56 3k9yA1 LEU 79 HG -0.04 -0.01 0.05 -0.04 1.64 1.61 3k9yA1 LEU 79 HD13 -0.04 0.02 -0.00 -0.04 0.93 0.86 3k9yA1 LEU 79 HD23 -0.18 0.00 -0.05 -0.04 0.89 0.63 3k9yA1 LYS 80 H -0.01 0.13 -0.05 -0.55 8.42 7.94 3k9yA1 LYS 80 HA 0.05 0.40 0.46 -0.75 4.32 4.48 3k9yA1 LYS 80 HB2 0.05 0.00 0.06 -0.04 1.87 1.94 3k9yA1 LYS 80 HB3 0.03 0.01 0.11 -0.04 1.79 1.89 3k9yA1 LYS 80 HG2 0.02 -0.05 0.05 -0.04 1.46 1.43 3k9yA1 LYS 80 HG3 0.00 0.05 -0.20 -0.04 1.46 1.27 3k9yA1 LYS 80 HD2 0.02 0.01 -0.05 -0.04 1.69 1.63 3k9yA1 LYS 80 HD3 0.01 -0.02 0.00 -0.04 1.68 1.64 3k9yA1 LYS 80 HE2 0.00 0.06 0.02 -0.04 2.99 3.03 3k9yA1 LYS 80 HE3 0.00 -0.02 0.00 -0.04 2.99 2.93 3k9yA1 LYS 81 H -0.09 0.27 -0.87 -0.55 8.42 7.18 3k9yA1 LYS 81 HA -0.34 0.21 0.94 -0.75 4.32 4.37 3k9yA1 LYS 81 HB2 -0.08 0.00 -0.11 -0.04 1.87 1.64 3k9yA1 LYS 81 HB3 -0.14 -0.02 0.12 -0.04 1.79 1.71 3k9yA1 LYS 81 HG2 -0.06 0.00 0.10 -0.04 1.46 1.47 3k9yA1 LYS 81 HG3 -0.02 0.02 -0.11 -0.04 1.46 1.30 3k9yA1 LYS 81 HD2 -0.03 -0.01 0.09 -0.04 1.69 1.70 3k9yA1 LYS 81 HD3 -0.04 0.06 0.11 -0.04 1.68 1.77 3k9yA1 LYS 81 HE2 -0.00 -0.00 0.02 -0.04 2.99 2.96 3k9yA1 LYS 81 HE3 0.01 -0.02 0.03 -0.04 2.99 2.97 3k9yA1 GLN 82 H -0.11 0.64 -0.13 -0.55 8.47 8.33 3k9yA1 GLN 82 HA -0.08 0.05 0.35 -0.75 4.36 3.92 3k9yA1 GLN 82 HB2 -0.04 0.01 0.18 -0.04 2.15 2.26 3k9yA1 GLN 82 HB3 0.09 0.05 0.14 -0.04 2.02 2.27 3k9yA1 GLN 82 HG2 0.28 -0.01 -0.36 -0.04 2.40 2.28 3k9yA1 GLN 82 HG3 0.09 -0.06 -0.05 -0.04 2.39 2.33 3k9yA1 GLN 82 HE21 -0.05 0.01 -0.08 -0.04 6.97 6.81 3k9yA1 GLN 82 HE22 0.07 -0.04 -0.10 -0.04 7.69 7.59 3k9yA1 HIS 83 H -0.06 0.17 -0.19 -0.55 8.41 7.79 3k9yA1 HIS 83 HA 0.30 0.04 0.31 -0.75 4.63 4.53 3k9yA1 HIS 83 HB2 -0.02 0.05 -0.04 -0.04 3.26 3.21 3k9yA1 HIS 83 HB3 0.01 -0.00 0.02 -0.04 3.20 3.18 3k9yA1 HIS 83 HD2 -0.02 0.03 -0.28 -0.04 6.97 6.66 3k9yA1 HIS 83 HE1 0.01 0.10 0.09 -0.04 7.75 7.91 3k9yA1 ASP 84 H -0.63 0.23 -0.45 -0.55 8.40 7.01 3k9yA1 ASP 84 HA 0.11 0.08 0.42 -0.75 4.63 4.48 3k9yA1 ASP 84 HB2 -0.20 0.27 0.21 -0.04 2.71 2.95 3k9yA1 ASP 84 HB3 -0.05 -0.00 -0.01 -0.04 2.70 2.60 3k9yA1 THR 85 H -0.13 0.43 0.01 -0.55 8.28 8.04 3k9yA1 THR 85 HA -0.22 0.04 0.40 -0.75 4.39 3.85 3k9yA1 THR 85 HB -0.38 -0.07 -0.06 -0.04 4.32 3.76 3k9yA1 THR 85 HG23 -0.12 0.03 -0.07 -0.04 1.22 1.02 3k9yA1 LEU 86 H 0.03 0.68 -0.19 -0.55 8.37 8.34 3k9yA1 LEU 86 HA 0.23 -0.03 0.36 -0.75 4.35 4.17 3k9yA1 LEU 86 HB2 0.33 0.11 0.02 -0.04 1.64 2.05 3k9yA1 LEU 86 HB3 0.52 -0.03 -0.07 -0.04 1.64 2.02 3k9yA1 LEU 86 HG 0.21 0.13 -0.03 -0.04 1.64 1.91 3k9yA1 LEU 86 HD13 0.36 -0.02 -0.18 -0.04 0.93 1.05 3k9yA1 LEU 86 HD23 0.29 -0.02 -0.08 -0.04 0.89 1.04 3k9yA1 ALA 87 H 0.10 0.38 -0.48 -0.55 8.40 7.87 3k9yA1 ALA 87 HA 0.20 -0.02 0.37 -0.75 4.34 4.13 3k9yA1 ALA 87 HB3 0.08 0.11 0.17 -0.04 1.41 1.73 3k9yA1 GLU 88 H -0.09 0.32 -0.26 -0.55 8.60 8.02 3k9yA1 GLU 88 HA -0.05 0.07 0.47 -0.75 4.29 4.03 3k9yA1 GLU 88 HB2 -0.27 0.12 0.18 -0.04 2.09 2.07 3k9yA1 GLU 88 HB3 -0.13 -0.06 -0.00 -0.04 1.99 1.75 3k9yA1 GLU 88 HG2 -0.06 -0.01 -0.00 -0.04 2.34 2.23 3k9yA1 GLU 88 HG3 -0.08 0.16 0.00 -0.04 2.34 2.38 3k9yA1 TYR 89 H -0.33 0.57 0.01 -0.55 8.29 7.98 3k9yA1 TYR 89 HA -0.49 -0.05 0.36 -0.75 4.56 3.63 3k9yA1 TYR 89 HB2 -0.41 0.13 0.09 -0.04 3.06 2.83 3k9yA1 TYR 89 HB3 -1.22 -0.02 -0.08 -0.04 2.98 1.62 3k9yA1 TYR 89 HD2 0.00 -0.02 -0.01 -0.04 7.15 7.08 3k9yA1 TYR 89 HE2 0.11 -0.04 -0.06 -0.04 6.85 6.83 3k9yA1 HIS 90 H 0.07 0.54 -0.34 -0.55 8.41 8.14 3k9yA1 HIS 90 HA 0.03 0.13 0.11 -0.75 4.63 4.15 3k9yA1 HIS 90 HB2 0.12 0.12 0.04 -0.04 3.26 3.51 3k9yA1 HIS 90 HB3 0.13 -0.01 -0.15 -0.04 3.20 3.13 3k9yA1 HIS 90 HD2 0.38 0.07 -0.21 -0.04 6.97 7.17 3k9yA1 HIS 90 HE1 0.27 -0.02 -0.59 -0.04 7.75 7.37 3k9yA1 LYS 91 H 0.03 0.25 -0.43 -0.55 8.42 7.71 3k9yA1 LYS 91 HA 0.03 -0.03 0.42 -0.75 4.32 3.99 3k9yA1 LYS 91 HB2 0.00 0.08 0.24 -0.04 1.87 2.14 3k9yA1 LYS 91 HB3 -0.05 -0.01 0.12 -0.04 1.79 1.81 3k9yA1 LYS 91 HG2 -0.01 -0.03 0.05 -0.04 1.46 1.43 3k9yA1 LYS 91 HG3 0.02 -0.02 0.07 -0.04 1.46 1.49 3k9yA1 LYS 91 HD2 -0.01 0.00 0.01 -0.04 1.69 1.66 3k9yA1 LYS 91 HD3 -0.02 -0.04 0.01 -0.04 1.68 1.59 3k9yA1 LYS 91 HE2 -0.01 -0.04 0.01 -0.04 2.99 2.91 3k9yA1 LYS 91 HE3 -0.00 -0.02 0.03 -0.04 2.99 2.95 3k9yA1 LYS 92 H -0.18 0.70 -0.04 -0.55 8.42 8.34 3k9yA1 LYS 92 HA -0.19 -0.04 0.40 -0.75 4.32 3.74 3k9yA1 LYS 92 HB2 -0.35 -0.05 0.09 -0.04 1.87 1.51 3k9yA1 LYS 92 HB3 -0.81 0.03 0.34 -0.04 1.79 1.31 3k9yA1 LYS 92 HG2 -1.34 -0.09 0.02 -0.04 1.46 0.01 3k9yA1 LYS 92 HG3 -1.01 0.07 -0.11 -0.04 1.46 0.36 3k9yA1 LYS 92 HD2 -0.18 0.04 0.00 -0.04 1.69 1.51 3k9yA1 LYS 92 HD3 -0.20 -0.03 0.01 -0.04 1.68 1.42 3k9yA1 LYS 92 HE2 -0.04 -0.05 0.00 -0.04 2.99 2.86 3k9yA1 LYS 92 HE3 0.01 0.01 -0.02 -0.04 2.99 2.95 3k9yA1 TYR 93 H -0.86 0.19 0.12 -0.55 8.29 7.18 3k9yA1 TYR 93 HA -0.04 -0.00 0.35 -0.75 4.56 4.11 3k9yA1 TYR 93 HB2 -0.34 0.05 -0.11 -0.04 3.06 2.62 3k9yA1 TYR 93 HB3 -0.07 0.01 0.10 -0.04 2.98 2.98 3k9yA1 TYR 93 HD2 -0.44 0.03 -0.06 -0.04 7.15 6.64 3k9yA1 TYR 93 HE2 -0.23 -0.05 -0.08 -0.04 6.85 6.46 3k9yA1 GLY 94 H 0.00 0.33 -0.95 -0.55 8.43 7.27 3k9yA1 GLY 94 HA2 0.09 0.09 0.31 -0.51 4.01 4.00 3k9yA1 GLY 94 HA3 0.10 -0.06 0.37 -0.51 4.01 3.92 3k9yA1 GLN 95 H 0.12 0.06 0.16 -0.55 8.47 8.27 3k9yA1 GLN 95 HA 0.19 0.09 0.29 -0.75 4.36 4.18 3k9yA1 GLN 95 HB2 0.10 0.00 0.16 -0.04 2.15 2.37 3k9yA1 GLN 95 HB3 0.11 0.02 0.11 -0.04 2.02 2.22 3k9yA1 GLN 95 HG2 0.11 0.02 -0.28 -0.04 2.40 2.21 3k9yA1 GLN 95 HG3 0.10 -0.09 -0.01 -0.04 2.39 2.35 3k9yA1 GLN 95 HE21 0.07 -0.03 0.03 -0.04 6.97 7.00 3k9yA1 GLN 95 HE22 0.09 0.11 -0.01 -0.04 7.69 7.83 3k9yA1 ILE 96 H 0.16 0.25 -0.32 -0.55 8.25 7.79 3k9yA1 ILE 96 HA 0.23 0.23 0.86 -0.75 4.18 4.74 3k9yA1 ILE 96 HB 0.06 -0.13 -0.17 -0.04 1.89 1.61 3k9yA1 ILE 96 HG12 -0.16 0.10 -0.14 -0.04 1.49 1.26 3k9yA1 ILE 96 HG13 -0.04 0.21 0.09 -0.04 1.21 1.42 3k9yA1 ILE 96 HG23 -0.02 -0.01 -0.08 -0.04 0.93 0.78 3k9yA1 ILE 96 HD13 -0.10 -0.05 -0.19 -0.04 0.88 0.51 3k9yA1 PHE 97 H -0.10 0.33 0.24 -0.55 8.34 8.26 3k9yA1 PHE 97 HA -0.16 0.17 0.22 -0.75 4.62 4.09 3k9yA1 PHE 97 HB2 -0.17 0.20 0.09 -0.04 3.15 3.23 3k9yA1 PHE 97 HB3 -0.00 0.22 -0.27 -0.04 3.06 2.97 3k9yA1 PHE 97 HD2 -0.23 0.09 -0.18 -0.04 7.28 6.92 3k9yA1 PHE 97 HE2 -1.12 -0.02 -0.17 -0.04 7.38 6.03 3k9yA1 PHE 97 HZ -0.18 -0.04 -0.08 -0.04 7.32 6.97 3k9yA1 ARG 98 H 0.06 0.49 0.38 -0.55 8.46 8.84 3k9yA1 ARG 98 HA -0.45 -0.07 0.74 -0.75 4.34 3.81 3k9yA1 ARG 98 HB2 -0.14 0.11 0.07 -0.04 1.90 1.89 3k9yA1 ARG 98 HB3 -0.19 0.08 0.03 -0.04 1.80 1.68 3k9yA1 ARG 98 HG2 -0.14 -0.01 -0.13 -0.04 1.67 1.35 3k9yA1 ARG 98 HG3 -0.13 0.06 -0.04 -0.04 1.67 1.52 3k9yA1 ARG 98 HD2 -0.10 -0.05 -0.15 -0.04 3.22 2.87 3k9yA1 ARG 98 HD3 -0.11 0.02 -0.44 -0.04 3.22 2.65 3k9yA1 MET 99 H -0.13 0.54 0.39 -0.55 8.47 8.72 3k9yA1 MET 99 HA -0.07 0.20 0.86 -0.75 4.52 4.75 3k9yA1 MET 99 HB2 -0.01 -0.08 0.12 -0.04 2.15 2.14 3k9yA1 MET 99 HB3 -0.08 0.01 -0.14 -0.04 2.03 1.79 3k9yA1 MET 99 HG2 -0.02 0.03 -0.06 -0.04 2.63 2.54 3k9yA1 MET 99 HG3 0.09 -0.03 -0.40 -0.04 2.56 2.18 3k9yA1 MET 99 HE3 0.17 -0.02 -0.10 -0.04 2.10 2.12 3k9yA1 LYS 100 H 0.03 0.11 0.18 -0.55 8.42 8.19 3k9yA1 LYS 100 HA 0.11 0.43 1.15 -0.75 4.32 5.25 3k9yA1 LYS 100 HB2 -0.01 -0.08 -0.16 -0.04 1.87 1.58 3k9yA1 LYS 100 HB3 0.04 -0.08 0.13 -0.04 1.79 1.83 3k9yA1 LYS 100 HG2 0.08 0.42 -0.42 -0.04 1.46 1.50 3k9yA1 LYS 100 HG3 0.00 -0.11 -0.62 -0.04 1.46 0.69 3k9yA1 LYS 100 HD2 0.02 -0.02 -0.13 -0.04 1.69 1.52 3k9yA1 LYS 100 HD3 0.01 -0.04 -0.16 -0.04 1.68 1.44 3k9yA1 LYS 100 HE2 -0.04 -0.03 -0.13 -0.04 2.99 2.76 3k9yA1 LYS 100 HE3 -0.03 -0.05 -0.10 -0.04 2.99 2.77 3k9yA1 LEU 101 H 0.28 0.40 0.14 -0.55 8.37 8.64 3k9yA1 LEU 101 HA 0.13 -0.07 0.81 -0.75 4.35 4.47 3k9yA1 LEU 101 HB2 0.05 0.01 0.19 -0.04 1.64 1.86 3k9yA1 LEU 101 HB3 0.05 -0.02 0.07 -0.04 1.64 1.70 3k9yA1 LEU 101 HG 0.14 0.06 -0.05 -0.04 1.64 1.76 3k9yA1 LEU 101 HD13 -0.05 0.00 -0.07 -0.04 0.93 0.77 3k9yA1 LEU 101 HD23 0.11 -0.04 -0.32 -0.04 0.89 0.59 3k9yA1 GLY 102 H 0.12 1.14 0.40 -0.55 8.43 9.54 3k9yA1 GLY 102 HA2 0.09 0.20 0.48 -0.51 4.01 4.28 3k9yA1 GLY 102 HA3 0.10 -0.07 0.53 -0.51 4.01 4.05 3k9yA1 SER 103 H 0.09 0.10 0.20 -0.55 8.46 8.30 3k9yA1 SER 103 HA 0.05 0.13 0.44 -0.75 4.49 4.35 3k9yA1 SER 103 HB2 0.03 -0.00 0.16 -0.04 3.95 4.10 3k9yA1 SER 103 HB3 0.04 -0.02 0.12 -0.04 3.93 4.04 3k9yA1 PHE 104 H 0.21 0.38 -0.54 -0.55 8.34 7.84 3k9yA1 PHE 104 HA -0.00 0.07 0.72 -0.75 4.62 4.66 3k9yA1 PHE 104 HB2 0.01 -0.06 0.08 -0.04 3.15 3.14 3k9yA1 PHE 104 HB3 0.02 0.24 0.22 -0.04 3.06 3.49 3k9yA1 PHE 104 HD2 0.00 -0.09 -0.12 -0.04 7.28 7.03 3k9yA1 PHE 104 HE2 -0.02 -0.04 -0.13 -0.04 7.38 7.15 3k9yA1 PHE 104 HZ -0.07 -0.03 -0.12 -0.04 7.32 7.05 3k9yA1 ASP 105 H -0.43 0.20 0.22 -0.55 8.40 7.85 3k9yA1 ASP 105 HA -0.11 0.24 1.03 -0.75 4.63 5.04 3k9yA1 ASP 105 HB2 -0.10 0.03 -0.10 -0.04 2.71 2.50 3k9yA1 ASP 105 HB3 -0.18 -0.03 0.09 -0.04 2.70 2.54 3k9yA1 SER 106 H -0.09 0.60 0.37 -0.55 8.46 8.79 3k9yA1 SER 106 HA -0.20 0.09 0.62 -0.75 4.49 4.25 3k9yA1 SER 106 HB2 -0.34 0.05 -0.14 -0.04 3.95 3.49 3k9yA1 SER 106 HB3 0.14 -0.08 -0.12 -0.04 3.93 3.83 3k9yA1 VAL 107 H -0.11 0.49 0.32 -0.55 8.24 8.39 3k9yA1 VAL 107 HA -0.15 0.13 1.22 -0.75 4.13 4.58 3k9yA1 VAL 107 HB -0.14 -0.02 0.03 -0.04 2.12 1.96 3k9yA1 VAL 107 HG13 -0.10 -0.03 0.02 -0.04 0.97 0.83 3k9yA1 VAL 107 HG23 -0.16 0.17 -0.10 -0.04 0.95 0.82 3k9yA1 HIS 108 H -0.32 0.31 0.14 -0.55 8.41 7.99 3k9yA1 HIS 108 HA -0.09 0.10 0.87 -0.75 4.63 4.75 3k9yA1 HIS 108 HB2 -1.13 -0.01 0.00 -0.04 3.26 2.09 3k9yA1 HIS 108 HB3 0.20 0.06 -0.09 -0.04 3.20 3.33 3k9yA1 HIS 108 HD2 0.19 0.01 -0.10 -0.04 6.97 7.03 3k9yA1 HIS 108 HE1 -0.02 0.02 -0.17 -0.04 7.75 7.54 3k9yA1 LEU 109 H 0.04 0.40 0.25 -0.55 8.37 8.51 3k9yA1 LEU 109 HA 0.14 0.22 0.90 -0.75 4.35 4.85 3k9yA1 LEU 109 HB2 0.03 -0.05 0.05 -0.04 1.64 1.62 3k9yA1 LEU 109 HB3 0.05 -0.04 -0.11 -0.04 1.64 1.50 3k9yA1 LEU 109 HG 0.02 -0.01 -0.11 -0.04 1.64 1.50 3k9yA1 LEU 109 HD13 -0.01 0.02 -0.33 -0.04 0.93 0.57 3k9yA1 LEU 109 HD23 -0.01 -0.00 -0.15 -0.04 0.89 0.69 3k9yA1 GLY 110 H 0.21 0.59 0.16 -0.55 8.43 8.84 3k9yA1 GLY 110 HA2 -0.04 0.15 0.74 -0.51 4.01 4.34 3k9yA1 GLY 110 HA3 -0.28 0.05 0.28 -0.51 4.01 3.56 3k9yA1 SER 111 H 0.07 0.20 -0.05 -0.55 8.46 8.13 3k9yA1 SER 111 HA 0.07 0.25 0.55 -0.75 4.49 4.61 3k9yA1 SER 111 HB2 0.08 -0.15 0.00 -0.04 3.95 3.84 3k9yA1 SER 111 HB3 0.07 -0.13 0.12 -0.04 3.93 3.95 3k9yA1 PRO 112 HA 0.13 0.36 0.56 -0.51 4.44 4.98 3k9yA1 PRO 112 HB2 0.07 -0.06 0.02 -0.04 2.28 2.28 3k9yA1 PRO 112 HB3 0.13 0.08 0.01 -0.04 2.02 2.20 3k9yA1 PRO 112 HG2 0.05 0.02 0.09 -0.04 2.03 2.15 3k9yA1 PRO 112 HG3 0.11 0.18 0.17 -0.04 2.03 2.44 3k9yA1 PRO 112 HD2 0.06 0.06 0.23 -0.04 3.68 3.99 3k9yA1 PRO 112 HD3 0.08 0.21 0.21 -0.04 3.65 4.11 3k9yA1 SER 113 H 0.05 0.11 -0.26 -0.55 8.46 7.82 3k9yA1 SER 113 HA 0.00 0.13 0.51 -0.75 4.49 4.38 3k9yA1 SER 113 HB2 0.03 0.07 0.10 -0.04 3.95 4.11 3k9yA1 SER 113 HB3 0.04 -0.12 0.15 -0.04 3.93 3.96 3k9yA1 LEU 114 H 0.03 0.11 -0.04 -0.55 8.37 7.92 3k9yA1 LEU 114 HA 0.00 0.07 0.27 -0.75 4.35 3.93 3k9yA1 LEU 114 HB2 0.04 0.02 0.01 -0.04 1.64 1.68 3k9yA1 LEU 114 HB3 0.03 0.05 -0.05 -0.04 1.64 1.62 3k9yA1 LEU 114 HG 0.06 -0.07 0.03 -0.04 1.64 1.62 3k9yA1 LEU 114 HD13 0.08 -0.00 -0.10 -0.04 0.93 0.87 3k9yA1 LEU 114 HD23 0.03 0.02 0.03 -0.04 0.89 0.93 3k9yA1 LEU 115 H -0.01 0.26 -0.87 -0.55 8.37 7.20 3k9yA1 LEU 115 HA -0.01 0.03 0.37 -0.75 4.35 3.98 3k9yA1 LEU 115 HB2 0.04 0.12 0.10 -0.04 1.64 1.87 3k9yA1 LEU 115 HB3 0.03 -0.05 -0.07 -0.04 1.64 1.52 3k9yA1 LEU 115 HG 0.13 0.08 -0.17 -0.04 1.64 1.64 3k9yA1 LEU 115 HD13 0.11 -0.03 -0.07 -0.04 0.93 0.90 3k9yA1 LEU 115 HD23 0.06 0.06 -0.22 -0.04 0.89 0.75 3k9yA1 GLU 116 H -0.27 0.61 0.11 -0.55 8.60 8.50 3k9yA1 GLU 116 HA -0.95 0.01 0.66 -0.75 4.29 3.25 3k9yA1 GLU 116 HB2 -0.65 0.05 0.21 -0.04 2.09 1.66 3k9yA1 GLU 116 HB3 -0.20 0.07 0.21 -0.04 1.99 2.03 3k9yA1 GLU 116 HG2 -0.06 0.01 -0.05 -0.04 2.34 2.20 3k9yA1 GLU 116 HG3 -0.16 -0.11 0.14 -0.04 2.34 2.18 3k9yA1 ALA 117 H -0.11 0.79 -0.10 -0.55 8.40 8.44 3k9yA1 ALA 117 HA -0.04 0.01 0.32 -0.75 4.34 3.87 3k9yA1 ALA 117 HB3 -0.02 -0.01 0.05 -0.04 1.41 1.39 3k9yA1 LEU 118 H -0.07 0.16 -1.39 -0.55 8.37 6.52 3k9yA1 LEU 118 HA -0.03 0.08 0.52 -0.75 4.35 4.16 3k9yA1 LEU 118 HB2 -0.02 0.34 -0.27 -0.04 1.64 1.66 3k9yA1 LEU 118 HB3 0.01 0.01 -0.07 -0.04 1.64 1.55 3k9yA1 LEU 118 HG -0.00 -0.07 -0.06 -0.04 1.64 1.46 3k9yA1 LEU 118 HD13 -0.01 0.01 0.00 -0.04 0.93 0.88 3k9yA1 LEU 118 HD23 0.01 -0.03 -0.13 -0.04 0.89 0.70 3k9yA1 TYR 119 H -0.02 0.38 0.18 -0.55 8.29 8.28 3k9yA1 TYR 119 HA 0.02 -0.02 0.46 -0.75 4.56 4.27 3k9yA1 TYR 119 HB2 -0.06 0.04 0.21 -0.04 3.06 3.21 3k9yA1 TYR 119 HB3 -0.27 -0.01 0.33 -0.04 2.98 2.98 3k9yA1 TYR 119 HD2 0.19 -0.08 0.04 -0.04 7.15 7.26 3k9yA1 TYR 119 HE2 0.15 -0.01 -0.03 -0.04 6.85 6.91 3k9yA1 ARG 120 H -0.05 0.54 0.11 -0.55 8.46 8.52 3k9yA1 ARG 120 HA -0.23 0.09 0.49 -0.75 4.34 3.94 3k9yA1 ARG 120 HB2 -0.04 -0.01 0.05 -0.04 1.90 1.87 3k9yA1 ARG 120 HB3 -0.03 0.00 0.03 -0.04 1.80 1.76 3k9yA1 ARG 120 HG2 0.02 0.12 0.13 -0.04 1.67 1.89 3k9yA1 ARG 120 HG3 0.03 -0.02 -0.00 -0.04 1.67 1.63 3k9yA1 ARG 120 HD2 0.08 0.02 0.02 -0.04 3.22 3.31 3k9yA1 ARG 120 HD3 0.28 -0.03 -0.05 -0.04 3.22 3.38 3k9yA1 THR 121 H -0.07 0.04 -0.35 -0.55 8.28 7.35 3k9yA1 THR 121 HA -0.05 0.10 0.45 -0.75 4.39 4.13 3k9yA1 THR 121 HB -0.03 -0.03 0.11 -0.04 4.32 4.33 3k9yA1 THR 121 HG23 -0.03 -0.02 -0.11 -0.04 1.22 1.02 3k9yA1 GLU 122 H -0.14 0.13 -0.93 -0.55 8.60 7.11 3k9yA1 GLU 122 HA -0.05 -0.08 0.35 -0.75 4.29 3.75 3k9yA1 GLU 122 HB2 -0.11 0.01 0.21 -0.04 2.09 2.15 3k9yA1 GLU 122 HB3 -0.20 0.10 0.08 -0.04 1.99 1.93 3k9yA1 GLU 122 HG2 -0.02 0.36 -0.10 -0.04 2.34 2.54 3k9yA1 GLU 122 HG3 -0.01 -0.19 0.12 -0.04 2.34 2.23 3k9yA1 SER 123 H -0.03 0.01 0.12 -0.55 8.46 8.01 3k9yA1 SER 123 HA -0.05 0.24 0.77 -0.75 4.49 4.70 3k9yA1 SER 123 HB2 -0.06 -0.04 0.12 -0.04 3.95 3.92 3k9yA1 SER 123 HB3 -0.04 0.05 0.04 -0.04 3.93 3.93 3k9yA1 ALA 124 H -0.11 0.13 0.12 -0.55 8.40 7.99 3k9yA1 ALA 124 HA 0.06 0.15 0.50 -0.75 4.34 4.30 3k9yA1 ALA 124 HB3 -0.14 0.00 0.08 -0.04 1.41 1.30 3k9yA1 HIS 125 H -0.06 0.04 -0.19 -0.55 8.41 7.65 3k9yA1 HIS 125 HA -0.08 0.26 0.87 -0.75 4.63 4.92 3k9yA1 HIS 125 HB2 -0.02 -0.02 0.21 -0.04 3.26 3.39 3k9yA1 HIS 125 HB3 -0.05 -0.06 0.16 -0.04 3.20 3.20 3k9yA1 HIS 125 HD2 0.24 0.36 -0.53 -0.04 6.97 6.99 3k9yA1 HIS 125 HE1 0.07 -0.01 -0.06 -0.04 7.75 7.70 3k9yA1 PRO 126 HA -0.08 0.09 0.56 -0.51 4.44 4.50 3k9yA1 PRO 126 HB2 -0.15 0.04 -0.03 -0.04 2.28 2.10 3k9yA1 PRO 126 HB3 -0.05 0.00 0.10 -0.04 2.02 2.03 3k9yA1 PRO 126 HG2 0.02 -0.13 -0.00 -0.04 2.03 1.87 3k9yA1 PRO 126 HG3 -0.01 0.12 -0.05 -0.04 2.03 2.04 3k9yA1 PRO 126 HD2 -0.43 0.10 0.04 -0.04 3.68 3.35 3k9yA1 PRO 126 HD3 0.03 0.32 -0.47 -0.04 3.65 3.48 3k9yA1 GLN 127 H -0.09 0.19 0.25 -0.55 8.47 8.27 3k9yA1 GLN 127 HA -0.20 0.12 0.49 -0.75 4.36 4.02 3k9yA1 GLN 127 HB2 -0.09 0.08 0.08 -0.04 2.15 2.18 3k9yA1 GLN 127 HB3 -0.15 0.10 -0.12 -0.04 2.02 1.81 3k9yA1 GLN 127 HG2 -0.06 0.02 -0.10 -0.04 2.40 2.23 3k9yA1 GLN 127 HG3 -0.05 -0.06 -0.06 -0.04 2.39 2.18 3k9yA1 GLN 127 HE21 -0.01 -0.06 -0.04 -0.04 6.97 6.82 3k9yA1 GLN 127 HE22 -0.04 -0.01 -0.05 -0.04 7.69 7.54 3k9yA1 ARG 128 H -0.07 0.20 0.15 -0.55 8.46 8.18 3k9yA1 ARG 128 HA -0.02 0.11 0.55 -0.75 4.34 4.23 3k9yA1 ARG 128 HB2 -0.01 0.09 0.11 -0.04 1.90 2.05 3k9yA1 ARG 128 HB3 0.01 -0.19 0.19 -0.04 1.80 1.77 3k9yA1 ARG 128 HG2 0.01 0.65 0.26 -0.04 1.67 2.55 3k9yA1 ARG 128 HG3 -0.03 -0.12 -0.02 -0.04 1.67 1.46 3k9yA1 ARG 128 HD2 0.04 -0.11 0.11 -0.04 3.22 3.22 3k9yA1 ARG 128 HD3 0.05 0.02 0.05 -0.04 3.22 3.29 3k9yA1 LEU 129 H 0.01 0.05 0.03 -0.55 8.37 7.91 3k9yA1 LEU 129 HA 0.02 0.04 0.28 -0.75 4.35 3.93 3k9yA1 LEU 129 HB2 0.02 -0.02 0.06 -0.04 1.64 1.66 3k9yA1 LEU 129 HB3 0.01 0.04 -0.14 -0.04 1.64 1.52 3k9yA1 LEU 129 HG 0.10 0.00 0.05 -0.04 1.64 1.75 3k9yA1 LEU 129 HD13 0.08 0.00 -0.03 -0.04 0.93 0.93 3k9yA1 LEU 129 HD23 0.10 0.01 -0.04 -0.04 0.89 0.92 3k9yA1 GLU 130 H 0.02 0.10 0.13 -0.55 8.60 8.30 3k9yA1 GLU 130 HA -0.01 0.20 0.64 -0.75 4.29 4.37 3k9yA1 GLU 130 HB2 0.02 0.06 0.11 -0.04 2.09 2.24 3k9yA1 GLU 130 HB3 0.02 -0.04 0.20 -0.04 1.99 2.13 3k9yA1 GLU 130 HG2 0.03 -0.10 -0.22 -0.04 2.34 2.01 3k9yA1 GLU 130 HG3 0.04 0.08 -0.02 -0.04 2.34 2.40 3k9yA1 ILE 131 H -0.07 0.32 0.12 -0.55 8.25 8.07 3k9yA1 ILE 131 HA -0.14 0.15 0.67 -0.75 4.18 4.10 3k9yA1 ILE 131 HB -0.31 0.03 0.17 -0.04 1.89 1.74 3k9yA1 ILE 131 HG12 -0.30 0.01 -0.07 -0.04 1.49 1.09 3k9yA1 ILE 131 HG13 -0.21 0.14 -0.09 -0.04 1.21 1.01 3k9yA1 ILE 131 HG23 -1.25 -0.07 -0.00 -0.04 0.93 -0.44 3k9yA1 ILE 131 HD13 -0.83 0.01 -0.03 -0.04 0.88 -0.02 3k9yA1 LYS 132 H -0.01 0.50 -0.06 -0.55 8.42 8.29 3k9yA1 LYS 132 HA 0.04 0.03 0.34 -0.75 4.32 3.98 3k9yA1 LYS 132 HB2 0.06 0.12 0.14 -0.04 1.87 2.14 3k9yA1 LYS 132 HB3 0.07 -0.06 0.07 -0.04 1.79 1.82 3k9yA1 LYS 132 HG2 0.04 -0.07 -0.04 -0.04 1.46 1.35 3k9yA1 LYS 132 HG3 0.03 0.25 0.13 -0.04 1.46 1.83 3k9yA1 LYS 132 HD2 0.04 0.05 0.06 -0.04 1.69 1.80 3k9yA1 LYS 132 HD3 0.05 -0.01 0.07 -0.04 1.68 1.74 3k9yA1 LYS 132 HE2 0.05 0.01 0.01 -0.04 2.99 3.02 3k9yA1 LYS 132 HE3 0.04 0.01 0.02 -0.04 2.99 3.02 3k9yA1 PRO 133 HA 0.14 0.04 0.43 -0.51 4.44 4.54 3k9yA1 PRO 133 HB2 0.30 0.00 -0.01 -0.04 2.28 2.53 3k9yA1 PRO 133 HB3 -0.04 -0.01 0.06 -0.04 2.02 1.99 3k9yA1 PRO 133 HG2 0.14 0.17 -0.12 -0.04 2.03 2.17 3k9yA1 PRO 133 HG3 0.07 0.26 0.10 -0.04 2.03 2.41 3k9yA1 PRO 133 HD2 -0.02 0.03 -0.10 -0.04 3.68 3.55 3k9yA1 PRO 133 HD3 0.04 0.13 0.20 -0.04 3.65 3.97 3k9yA1 TRP 134 H 0.06 0.23 -0.25 -0.55 7.97 7.46 3k9yA1 TRP 134 HA -0.28 0.07 0.40 -0.75 4.62 4.06 3k9yA1 TRP 134 HB2 -0.14 0.11 0.08 -0.04 3.23 3.23 3k9yA1 TRP 134 HB3 -0.36 0.00 -0.02 -0.04 3.23 2.81 3k9yA1 TRP 134 HD1 0.35 -0.08 -0.18 -0.04 7.22 7.27 3k9yA1 TRP 134 HE1 -0.62 0.02 -0.07 -0.04 10.20 9.49 3k9yA1 TRP 134 HE3 -0.06 -0.05 -0.03 -0.04 7.59 7.41 3k9yA1 TRP 134 HZ2 -0.60 0.04 -0.06 -0.04 7.44 6.79 3k9yA1 TRP 134 HZ3 0.01 -0.00 -0.03 -0.04 7.13 7.07 3k9yA1 TRP 134 HH2 -0.07 0.06 -0.06 -0.04 7.19 7.08 3k9yA1 LYS 135 H 0.04 0.36 -0.17 -0.55 8.42 8.10 3k9yA1 LYS 135 HA -0.42 0.01 0.38 -0.75 4.32 3.55 3k9yA1 LYS 135 HB2 0.04 0.04 0.18 -0.04 1.87 2.09 3k9yA1 LYS 135 HB3 0.11 -0.02 -0.03 -0.04 1.79 1.81 3k9yA1 LYS 135 HG2 0.05 -0.03 -0.02 -0.04 1.46 1.43 3k9yA1 LYS 135 HG3 -0.15 -0.05 -0.00 -0.04 1.46 1.21 3k9yA1 LYS 135 HD2 0.14 0.08 -0.04 -0.04 1.69 1.83 3k9yA1 LYS 135 HD3 0.05 -0.02 -0.20 -0.04 1.68 1.47 3k9yA1 LYS 135 HE2 0.15 -0.01 -0.05 -0.04 2.99 3.04 3k9yA1 LYS 135 HE3 0.25 0.00 -0.05 -0.04 2.99 3.15 3k9yA1 ALA 136 H 0.13 1.17 0.07 -0.55 8.40 9.22 3k9yA1 ALA 136 HA 0.19 -0.04 0.32 -0.75 4.34 4.06 3k9yA1 ALA 136 HB3 0.36 0.01 0.06 -0.04 1.41 1.80 3k9yA1 TYR 137 H 0.18 0.51 -0.30 -0.55 8.29 8.14 3k9yA1 TYR 137 HA 0.03 -0.04 0.37 -0.75 4.56 4.17 3k9yA1 TYR 137 HB2 -0.12 -0.04 0.06 -0.04 3.06 2.92 3k9yA1 TYR 137 HB3 -0.43 0.12 0.13 -0.04 2.98 2.77 3k9yA1 TYR 137 HD2 -0.36 0.01 -0.17 -0.04 7.15 6.58 3k9yA1 TYR 137 HE2 -0.34 0.02 -0.09 -0.04 6.85 6.40 3k9yA1 ARG 138 H -0.06 0.53 -0.05 -0.55 8.46 8.32 3k9yA1 ARG 138 HA -0.14 -0.04 0.34 -0.75 4.34 3.75 3k9yA1 ARG 138 HB2 -0.09 -0.03 0.13 -0.04 1.90 1.87 3k9yA1 ARG 138 HB3 0.15 0.34 -0.03 -0.04 1.80 2.22 3k9yA1 ARG 138 HG2 -0.30 0.25 0.07 -0.04 1.67 1.64 3k9yA1 ARG 138 HG3 -0.43 -0.12 -0.01 -0.04 1.67 1.07 3k9yA1 ARG 138 HD2 -0.04 0.27 -0.06 -0.04 3.22 3.34 3k9yA1 ARG 138 HD3 -0.12 -0.10 -0.07 -0.04 3.22 2.88 3k9yA1 ASP 139 H 0.11 0.51 -0.10 -0.55 8.40 8.37 3k9yA1 ASP 139 HA 0.10 0.00 0.37 -0.75 4.63 4.35 3k9yA1 ASP 139 HB2 0.13 0.07 0.12 -0.04 2.71 2.99 3k9yA1 ASP 139 HB3 0.09 -0.04 0.00 -0.04 2.70 2.71 3k9yA1 HIS 140 H 0.17 0.61 -0.03 -0.55 8.41 8.61 3k9yA1 HIS 140 HA 0.03 -0.03 0.37 -0.75 4.63 4.25 3k9yA1 HIS 140 HB2 0.25 -0.02 0.12 -0.04 3.26 3.58 3k9yA1 HIS 140 HB3 -0.03 0.01 0.23 -0.04 3.20 3.37 3k9yA1 HIS 140 HD2 -0.04 0.12 -0.88 -0.04 6.97 6.13 3k9yA1 HIS 140 HE1 0.33 -0.02 -0.04 -0.04 7.75 7.98 3k9yA1 ARG 141 H -0.34 0.55 0.04 -0.55 8.46 8.16 3k9yA1 ARG 141 HA 0.04 0.01 0.31 -0.75 4.34 3.94 3k9yA1 ARG 141 HB2 -1.00 -0.05 0.09 -0.04 1.90 0.90 3k9yA1 ARG 141 HB3 -0.59 0.01 -0.07 -0.04 1.80 1.11 3k9yA1 ARG 141 HG2 -0.08 -0.05 -0.02 -0.04 1.67 1.48 3k9yA1 ARG 141 HG3 -0.09 0.02 0.07 -0.04 1.67 1.63 3k9yA1 ARG 141 HD2 0.01 -0.04 0.01 -0.04 3.22 3.16 3k9yA1 ARG 141 HD3 0.01 0.06 0.01 -0.04 3.22 3.26 3k9yA1 ASN 142 H -0.05 0.26 -0.81 -0.55 8.53 7.39 3k9yA1 ASN 142 HA 0.01 0.02 0.37 -0.75 4.76 4.40 3k9yA1 ASN 142 HB2 0.00 0.06 -0.04 -0.04 2.88 2.86 3k9yA1 ASN 142 HB3 -0.00 0.15 0.21 -0.04 2.79 3.11 3k9yA1 ASN 142 HD21 0.01 -0.10 0.04 -0.04 7.03 6.94 3k9yA1 ASN 142 HD22 0.01 0.02 0.10 -0.04 7.74 7.84 3k9yA1 GLU 143 H -0.03 0.59 0.19 -0.55 8.60 8.80 3k9yA1 GLU 143 HA 0.01 0.09 0.83 -0.75 4.29 4.46 3k9yA1 GLU 143 HB2 -0.25 -0.01 -0.03 -0.04 2.09 1.76 3k9yA1 GLU 143 HB3 -0.18 0.03 -0.01 -0.04 1.99 1.79 3k9yA1 GLU 143 HG2 -0.17 0.15 -0.26 -0.04 2.34 2.01 3k9yA1 GLU 143 HG3 -0.78 -0.04 -0.09 -0.04 2.34 1.39 3k9yA1 ALA 144 H 0.12 0.14 0.13 -0.55 8.40 8.24 3k9yA1 ALA 144 HA 0.17 0.05 0.36 -0.75 4.34 4.16 3k9yA1 ALA 144 HB3 0.15 -0.02 0.11 -0.04 1.41 1.61 3k9yA1 TYR 145 H 0.29 0.08 0.15 -0.55 8.29 8.26 3k9yA1 TYR 145 HA 0.10 0.23 0.77 -0.75 4.56 4.90 3k9yA1 TYR 145 HB2 0.10 -0.02 0.01 -0.04 3.06 3.10 3k9yA1 TYR 145 HB3 0.12 -0.12 -0.01 -0.04 2.98 2.93 3k9yA1 TYR 145 HD2 0.07 -0.02 -0.54 -0.04 7.15 6.63 3k9yA1 TYR 145 HE2 0.05 0.05 -0.09 -0.04 6.85 6.81 3k9yA1 GLY 146 H 0.22 0.15 0.16 -0.55 8.43 8.41 3k9yA1 GLY 146 HA2 0.18 0.23 0.80 -0.51 4.01 4.72 3k9yA1 GLY 146 HA3 0.15 0.18 0.16 -0.51 4.01 3.98 3k9yA1 LEU 147 H 0.16 0.25 0.09 -0.55 8.37 8.32 3k9yA1 LEU 147 HA 0.47 0.03 0.22 -0.75 4.35 4.32 3k9yA1 LEU 147 HB2 0.15 0.02 -0.05 -0.04 1.64 1.71 3k9yA1 LEU 147 HB3 0.31 0.11 0.04 -0.04 1.64 2.06 3k9yA1 LEU 147 HG 0.06 -0.02 0.03 -0.04 1.64 1.66 3k9yA1 LEU 147 HD13 0.03 0.03 -0.05 -0.04 0.93 0.90 3k9yA1 LEU 147 HD23 -0.09 -0.02 -0.06 -0.04 0.89 0.69 3k9yA1 MET 148 H 0.23 0.03 -0.58 -0.55 8.47 7.60 3k9yA1 MET 148 HA 0.19 0.16 0.63 -0.75 4.52 4.75 3k9yA1 MET 148 HB2 0.38 -0.08 0.11 -0.04 2.15 2.51 3k9yA1 MET 148 HB3 0.31 -0.00 0.02 -0.04 2.03 2.31 3k9yA1 MET 148 HG2 0.22 -0.06 -0.07 -0.04 2.63 2.68 3k9yA1 MET 148 HG3 0.46 0.00 -0.01 -0.04 2.56 2.97 3k9yA1 MET 148 HE3 0.15 -0.00 0.03 -0.04 2.10 2.23 3k9yA1 ILE 149 H 0.23 0.49 0.31 -0.55 8.25 8.73 3k9yA1 ILE 149 HA 0.10 0.26 0.91 -0.75 4.18 4.70 3k9yA1 ILE 149 HB 0.10 -0.02 0.02 -0.04 1.89 1.95 3k9yA1 ILE 149 HG12 0.18 0.04 0.21 -0.04 1.49 1.88 3k9yA1 ILE 149 HG13 0.15 -0.07 -0.05 -0.04 1.21 1.21 3k9yA1 ILE 149 HG23 0.08 -0.02 -0.07 -0.04 0.93 0.88 3k9yA1 ILE 149 HD13 -0.20 0.01 -0.07 -0.04 0.88 0.59 3k9yA1 LEU 150 H 0.30 0.15 -0.20 -0.55 8.37 8.07 3k9yA1 LEU 150 HA 0.30 -0.02 0.25 -0.75 4.35 4.12 3k9yA1 LEU 150 HB2 0.37 -0.10 -0.45 -0.04 1.64 1.42 3k9yA1 LEU 150 HB3 0.52 0.03 -0.27 -0.04 1.64 1.88 3k9yA1 LEU 150 HG 0.20 0.10 -0.42 -0.04 1.64 1.48 3k9yA1 LEU 150 HD13 0.21 -0.04 -0.14 -0.04 0.93 0.92 3k9yA1 LEU 150 HD23 0.19 -0.03 -0.20 -0.04 0.89 0.81 3k9yA1 GLU 151 H 0.15 0.06 0.10 -0.55 8.60 8.37 3k9yA1 GLU 151 HA 0.01 0.34 0.89 -0.75 4.29 4.77 3k9yA1 GLU 151 HB2 0.05 -0.08 -0.00 -0.04 2.09 2.02 3k9yA1 GLU 151 HB3 0.02 -0.03 0.02 -0.04 1.99 1.96 3k9yA1 GLU 151 HG2 0.10 0.29 -0.33 -0.04 2.34 2.35 3k9yA1 GLU 151 HG3 0.04 -0.06 -0.06 -0.04 2.34 2.22 3k9yA1 GLY 152 H -0.06 0.29 0.10 -0.55 8.43 8.22 3k9yA1 GLY 152 HA2 -0.43 0.12 0.34 -0.51 4.01 3.53 3k9yA1 GLY 152 HA3 -0.09 -0.01 0.39 -0.51 4.01 3.79 3k9yA1 GLN 153 H -0.10 0.11 0.20 -0.55 8.47 8.14 3k9yA1 GLN 153 HA -0.09 0.11 0.43 -0.75 4.36 4.06 3k9yA1 GLN 153 HB2 0.01 -0.07 0.20 -0.04 2.15 2.25 3k9yA1 GLN 153 HB3 0.03 0.06 0.01 -0.04 2.02 2.08 3k9yA1 GLN 153 HG2 0.15 -0.05 0.09 -0.04 2.40 2.55 3k9yA1 GLN 153 HG3 0.08 0.03 0.05 -0.04 2.39 2.51 3k9yA1 GLN 153 HE21 0.10 0.03 -0.01 -0.04 6.97 7.05 3k9yA1 GLN 153 HE22 0.08 -0.00 0.00 -0.04 7.69 7.73 3k9yA1 GLU 154 H 0.01 0.10 0.08 -0.55 8.60 8.24 3k9yA1 GLU 154 HA 0.03 0.05 0.32 -0.75 4.29 3.93 3k9yA1 GLU 154 HB2 0.05 0.08 0.15 -0.04 2.09 2.32 3k9yA1 GLU 154 HB3 0.05 -0.04 -0.01 -0.04 1.99 1.94 3k9yA1 GLU 154 HG2 0.00 0.03 0.07 -0.04 2.34 2.40 3k9yA1 GLU 154 HG3 -0.00 -0.01 0.09 -0.04 2.34 2.38 3k9yA1 TRP 155 H 0.23 0.45 -0.69 -0.55 7.97 7.41 3k9yA1 TRP 155 HA 0.05 -0.07 0.26 -0.75 4.62 4.10 3k9yA1 TRP 155 HB2 0.02 -0.05 -0.80 -0.04 3.23 2.37 3k9yA1 TRP 155 HB3 -0.06 0.11 -0.30 -0.04 3.23 2.94 3k9yA1 TRP 155 HD1 0.08 -0.14 -0.15 -0.04 7.22 6.97 3k9yA1 TRP 155 HE1 0.08 0.09 0.00 -0.04 10.20 10.32 3k9yA1 TRP 155 HE3 -0.03 -0.05 0.09 -0.04 7.59 7.56 3k9yA1 TRP 155 HZ2 0.08 0.07 0.06 -0.04 7.44 7.61 3k9yA1 TRP 155 HZ3 0.11 0.16 0.12 -0.04 7.13 7.48 3k9yA1 TRP 155 HH2 0.08 0.09 -0.09 -0.04 7.19 7.23 3k9yA1 GLN 156 H 0.57 0.44 -0.05 -0.55 8.47 8.89 3k9yA1 GLN 156 HA -0.79 -0.03 0.33 -0.75 4.36 3.12 3k9yA1 GLN 156 HB2 0.40 0.05 0.14 -0.04 2.15 2.70 3k9yA1 GLN 156 HB3 0.07 0.11 0.15 -0.04 2.02 2.31 3k9yA1 GLN 156 HG2 0.01 0.00 -0.22 -0.04 2.40 2.15 3k9yA1 GLN 156 HG3 0.07 -0.01 0.07 -0.04 2.39 2.48 3k9yA1 GLN 156 HE21 0.14 -0.04 -0.03 -0.04 6.97 6.99 3k9yA1 GLN 156 HE22 0.07 0.01 -0.07 -0.04 7.69 7.66 3k9yA1 ARG 157 H -0.05 0.32 -0.89 -0.55 8.46 7.28 3k9yA1 ARG 157 HA -0.06 0.03 0.49 -0.75 4.34 4.04 3k9yA1 ARG 157 HB2 -0.01 -0.06 0.00 -0.04 1.90 1.79 3k9yA1 ARG 157 HB3 -0.01 0.17 0.17 -0.04 1.80 2.09 3k9yA1 ARG 157 HG2 -0.03 0.02 -0.29 -0.04 1.67 1.33 3k9yA1 ARG 157 HG3 -0.02 -0.01 -0.00 -0.04 1.67 1.60 3k9yA1 ARG 157 HD2 -0.00 -0.07 -0.00 -0.04 3.22 3.11 3k9yA1 ARG 157 HD3 0.01 -0.04 0.04 -0.04 3.22 3.19 3k9yA1 VAL 158 H -0.07 0.41 0.19 -0.55 8.24 8.23 3k9yA1 VAL 158 HA -0.00 0.05 0.41 -0.75 4.13 3.83 3k9yA1 VAL 158 HB -0.01 -0.04 0.13 -0.04 2.12 2.16 3k9yA1 VAL 158 HG13 0.26 -0.03 -0.02 -0.04 0.97 1.15 3k9yA1 VAL 158 HG23 0.07 0.07 0.13 -0.04 0.95 1.18 3k9yA1 ARG 159 H -0.45 0.51 -0.19 -0.55 8.46 7.77 3k9yA1 ARG 159 HA -0.20 -0.06 0.30 -0.75 4.34 3.62 3k9yA1 ARG 159 HB2 -1.48 -0.02 -0.05 -0.04 1.90 0.31 3k9yA1 ARG 159 HB3 -0.82 0.02 0.05 -0.04 1.80 1.01 3k9yA1 ARG 159 HG2 -0.58 0.09 0.01 -0.04 1.67 1.14 3k9yA1 ARG 159 HG3 -0.25 -0.00 -0.19 -0.04 1.67 1.19 3k9yA1 ARG 159 HD2 -0.09 -0.15 0.01 -0.04 3.22 2.95 3k9yA1 ARG 159 HD3 -0.13 -0.01 -0.00 -0.04 3.22 3.04 3k9yA1 SER 160 H -0.28 0.35 -0.10 -0.55 8.46 7.88 3k9yA1 SER 160 HA -0.09 -0.06 0.27 -0.75 4.49 3.86 3k9yA1 SER 160 HB2 -0.09 0.20 0.17 -0.04 3.95 4.19 3k9yA1 SER 160 HB3 -0.06 -0.05 0.01 -0.04 3.93 3.80 3k9yA1 ALA 161 H -0.09 0.41 -0.27 -0.55 8.40 7.90 3k9yA1 ALA 161 HA -0.10 -0.00 0.36 -0.75 4.34 3.84 3k9yA1 ALA 161 HB3 -0.20 0.01 0.11 -0.04 1.41 1.28 3k9yA1 PHE 162 H 0.07 0.58 0.07 -0.55 8.34 8.51 3k9yA1 PHE 162 HA 0.02 0.10 0.58 -0.75 4.62 4.56 3k9yA1 PHE 162 HB2 -0.03 0.02 0.14 -0.04 3.15 3.25 3k9yA1 PHE 162 HB3 -0.02 -0.08 -0.11 -0.04 3.06 2.81 3k9yA1 PHE 162 HD2 0.08 0.06 -0.05 -0.04 7.28 7.33 3k9yA1 PHE 162 HE2 0.14 -0.04 -0.06 -0.04 7.38 7.38 3k9yA1 PHE 162 HZ 0.06 -0.06 -0.04 -0.04 7.32 7.24 3k9yA1 GLN 163 H 0.11 0.49 0.10 -0.55 8.47 8.62 3k9yA1 GLN 163 HA 0.03 -0.05 0.34 -0.75 4.36 3.91 3k9yA1 GLN 163 HB2 -0.03 -0.05 -0.05 -0.04 2.15 1.98 3k9yA1 GLN 163 HB3 -0.05 0.22 -0.62 -0.04 2.02 1.53 3k9yA1 GLN 163 HG2 -0.04 -0.04 -0.17 -0.04 2.40 2.10 3k9yA1 GLN 163 HG3 -0.01 0.07 -0.66 -0.04 2.39 1.76 3k9yA1 GLN 163 HE21 0.02 0.01 0.01 -0.04 6.97 6.97 3k9yA1 GLN 163 HE22 0.00 -0.04 -0.09 -0.04 7.69 7.52 3k9yA1 LYS 164 H -0.01 0.50 -0.98 -0.55 8.42 7.38 3k9yA1 LYS 164 HA -0.01 -0.03 0.64 -0.75 4.32 4.17 3k9yA1 LYS 164 HB2 -0.02 -0.10 0.05 -0.04 1.87 1.76 3k9yA1 LYS 164 HB3 -0.03 0.37 0.13 -0.04 1.79 2.22 3k9yA1 LYS 164 HG2 -0.01 -0.06 0.10 -0.04 1.46 1.45 3k9yA1 LYS 164 HG3 -0.01 -0.09 0.05 -0.04 1.46 1.37 3k9yA1 LYS 164 HD2 -0.02 -0.08 0.07 -0.04 1.69 1.62 3k9yA1 LYS 164 HD3 -0.03 -0.03 0.04 -0.04 1.68 1.62 3k9yA1 LYS 164 HE2 -0.05 0.30 0.17 -0.04 2.99 3.37 3k9yA1 LYS 164 HE3 -0.02 -0.08 0.28 -0.04 2.99 3.12 3k9yA1 LYS 165 H -0.03 -0.25 -0.06 -0.55 8.42 7.53 3k9yA1 LYS 165 HA -0.05 -0.04 0.40 -0.75 4.32 3.87 3k9yA1 LYS 165 HB2 -0.01 0.54 0.14 -0.04 1.87 2.49 3k9yA1 LYS 165 HB3 -0.02 0.02 -0.09 -0.04 1.79 1.66 3k9yA1 LYS 165 HG2 -0.30 -0.11 0.03 -0.04 1.46 1.05 3k9yA1 LYS 165 HG3 -0.05 -0.08 0.22 -0.04 1.46 1.50 3k9yA1 LYS 165 HD2 0.20 0.05 0.06 -0.04 1.69 1.96 3k9yA1 LYS 165 HD3 0.26 -0.18 0.13 -0.04 1.68 1.84 3k9yA1 LYS 165 HE2 0.03 -0.07 0.16 -0.04 2.99 3.06 3k9yA1 LYS 165 HE3 0.01 0.28 0.17 -0.04 2.99 3.41 3k9yA1 LEU 166 H -0.04 0.19 0.13 -0.55 8.37 8.10 3k9yA1 LEU 166 HA -0.16 0.15 0.86 -0.75 4.35 4.45 3k9yA1 LEU 166 HB2 -0.05 0.13 -0.03 -0.04 1.64 1.65 3k9yA1 LEU 166 HB3 -0.10 -0.05 0.14 -0.04 1.64 1.59 3k9yA1 LEU 166 HG -0.06 0.07 -0.28 -0.04 1.64 1.34 3k9yA1 LEU 166 HD13 -0.07 -0.02 -0.13 -0.04 0.93 0.67 3k9yA1 LEU 166 HD23 -0.41 0.04 -0.07 -0.04 0.89 0.41 3k9yA1 MET 167 H -0.04 -0.04 0.12 -0.55 8.47 7.96 3k9yA1 MET 167 HA -0.05 0.10 0.87 -0.75 4.52 4.68 3k9yA1 MET 167 HB2 -0.02 0.33 0.26 -0.04 2.15 2.68 3k9yA1 MET 167 HB3 -0.02 -0.02 0.26 -0.04 2.03 2.20 3k9yA1 MET 167 HG2 -0.03 0.06 -0.20 -0.04 2.63 2.43 3k9yA1 MET 167 HG3 -0.01 0.04 0.05 -0.04 2.56 2.60 3k9yA1 MET 167 HE3 -0.06 0.02 -0.02 -0.04 2.10 2.00 3k9yA1 LYS 168 H -0.05 0.13 -0.35 -0.55 8.42 7.60 3k9yA1 LYS 168 HA -0.02 0.28 0.82 -0.75 4.32 4.64 3k9yA1 LYS 168 HB2 -0.03 -0.02 0.10 -0.04 1.87 1.88 3k9yA1 LYS 168 HB3 -0.01 0.04 0.05 -0.04 1.79 1.82 3k9yA1 LYS 168 HG2 -0.03 -0.26 -0.24 -0.04 1.46 0.89 3k9yA1 LYS 168 HG3 -0.02 0.12 -0.16 -0.04 1.46 1.37 3k9yA1 LYS 168 HD2 -0.01 -0.01 -0.01 -0.04 1.69 1.62 3k9yA1 LYS 168 HD3 -0.01 0.34 0.02 -0.04 1.68 1.98 3k9yA1 LYS 168 HE2 -0.01 -0.04 0.01 -0.04 2.99 2.91 3k9yA1 LYS 168 HE3 -0.01 -0.02 0.01 -0.04 2.99 2.94 3k9yA1 PRO 169 HA -0.01 -0.04 0.35 -0.51 4.44 4.23 3k9yA1 PRO 169 HB2 -0.00 0.01 0.07 -0.04 2.28 2.32 3k9yA1 PRO 169 HB3 -0.00 0.06 0.02 -0.04 2.02 2.06 3k9yA1 PRO 169 HG2 -0.01 0.12 0.04 -0.04 2.03 2.14 3k9yA1 PRO 169 HG3 -0.02 0.04 0.03 -0.04 2.03 2.04 3k9yA1 PRO 169 HD2 -0.01 0.17 0.14 -0.04 3.68 3.94 3k9yA1 PRO 169 HD3 -0.02 0.28 -0.12 -0.04 3.65 3.75 3k9yA1 VAL 170 H -0.00 0.16 -0.17 -0.55 8.24 7.68 3k9yA1 VAL 170 HA 0.00 0.05 0.34 -0.75 4.13 3.77 3k9yA1 VAL 170 HB 0.01 0.06 0.04 -0.04 2.12 2.18 3k9yA1 VAL 170 HG13 0.00 -0.00 0.03 -0.04 0.97 0.96 3k9yA1 VAL 170 HG23 -0.00 0.01 -0.11 -0.04 0.95 0.81 3k9yA1 GLU 171 H -0.02 0.57 -0.26 -0.55 8.60 8.35 3k9yA1 GLU 171 HA -0.00 0.14 0.72 -0.75 4.29 4.40 3k9yA1 GLU 171 HB2 -0.04 0.10 0.19 -0.04 2.09 2.30 3k9yA1 GLU 171 HB3 -0.06 0.08 0.05 -0.04 1.99 2.02 3k9yA1 GLU 171 HG2 -0.01 -0.09 -0.02 -0.04 2.34 2.18 3k9yA1 GLU 171 HG3 -0.01 0.05 0.07 -0.04 2.34 2.40 3k9yA1 ILE 172 H -0.04 0.22 -0.08 -0.55 8.25 7.80 3k9yA1 ILE 172 HA -0.06 0.09 0.38 -0.75 4.18 3.84 3k9yA1 ILE 172 HB -0.03 -0.06 0.02 -0.04 1.89 1.78 3k9yA1 ILE 172 HG12 -0.06 -0.12 -0.33 -0.04 1.49 0.93 3k9yA1 ILE 172 HG13 -0.06 0.03 -0.11 -0.04 1.21 1.03 3k9yA1 ILE 172 HG23 -0.03 -0.01 -0.18 -0.04 0.93 0.67 3k9yA1 ILE 172 HD13 -0.12 -0.02 0.11 -0.04 0.88 0.82 3k9yA1 MET 173 H -0.00 0.60 0.01 -0.55 8.47 8.53 3k9yA1 MET 173 HA 0.03 -0.07 0.34 -0.75 4.52 4.06 3k9yA1 MET 173 HB2 0.01 0.15 -0.05 -0.04 2.15 2.22 3k9yA1 MET 173 HB3 0.02 -0.03 -0.03 -0.04 2.03 1.95 3k9yA1 MET 173 HG2 0.02 -0.10 -0.01 -0.04 2.63 2.50 3k9yA1 MET 173 HG3 0.01 0.08 -0.03 -0.04 2.56 2.57 3k9yA1 MET 173 HE3 0.01 -0.02 -0.24 -0.04 2.10 1.81 3k9yA1 LYS 174 H 0.01 0.34 -0.77 -0.55 8.42 7.45 3k9yA1 LYS 174 HA 0.03 -0.02 0.39 -0.75 4.32 3.96 3k9yA1 LYS 174 HB2 0.02 0.12 0.21 -0.04 1.87 2.17 3k9yA1 LYS 174 HB3 0.02 0.21 0.15 -0.04 1.79 2.13 3k9yA1 LYS 174 HG2 0.05 -0.04 0.11 -0.04 1.46 1.54 3k9yA1 LYS 174 HG3 0.04 -0.09 0.18 -0.04 1.46 1.54 3k9yA1 LYS 174 HD2 0.04 -0.06 0.08 -0.04 1.69 1.70 3k9yA1 LYS 174 HD3 0.03 0.05 0.11 -0.04 1.68 1.83 3k9yA1 LYS 174 HE2 0.04 0.01 0.08 -0.04 2.99 3.08 3k9yA1 LYS 174 HE3 0.05 0.05 0.10 -0.04 2.99 3.15 3k9yA1 LEU 175 H 0.01 0.89 -0.33 -0.55 8.37 8.40 3k9yA1 LEU 175 HA 0.03 0.06 0.57 -0.75 4.35 4.26 3k9yA1 LEU 175 HB2 0.00 0.26 0.17 -0.04 1.64 2.03 3k9yA1 LEU 175 HB3 0.02 -0.16 -0.02 -0.04 1.64 1.43 3k9yA1 LEU 175 HG -0.03 -0.07 0.05 -0.04 1.64 1.55 3k9yA1 LEU 175 HD13 0.02 -0.00 0.07 -0.04 0.93 0.98 3k9yA1 LEU 175 HD23 -0.05 0.01 0.07 -0.04 0.89 0.87 3k9yA1 ASP 176 H 0.04 0.61 -0.12 -0.55 8.40 8.38 3k9yA1 ASP 176 HA 0.08 -0.08 0.39 -0.75 4.63 4.26 3k9yA1 ASP 176 HB2 0.05 0.36 0.20 -0.04 2.71 3.28 3k9yA1 ASP 176 HB3 0.06 -0.12 0.09 -0.04 2.70 2.69 3k9yA1 LYS 177 H 0.06 0.19 -0.02 -0.55 8.42 8.10 3k9yA1 LYS 177 HA 0.11 0.07 0.54 -0.75 4.32 4.29 3k9yA1 LYS 177 HB2 0.07 0.04 0.14 -0.04 1.87 2.07 3k9yA1 LYS 177 HB3 0.06 0.01 0.15 -0.04 1.79 1.97 3k9yA1 LYS 177 HG2 0.08 -0.06 -0.12 -0.04 1.46 1.32 3k9yA1 LYS 177 HG3 0.09 0.02 0.04 -0.04 1.46 1.57 3k9yA1 LYS 177 HD2 0.05 0.03 0.02 -0.04 1.69 1.75 3k9yA1 LYS 177 HD3 0.06 0.01 -0.01 -0.04 1.68 1.70 3k9yA1 LYS 177 HE2 0.06 0.01 -0.00 -0.04 2.99 3.02 3k9yA1 LYS 177 HE3 0.05 0.02 -0.00 -0.04 2.99 3.01 3k9yA1 LYS 178 H 0.06 0.26 0.12 -0.55 8.42 8.30 3k9yA1 LYS 178 HA 0.05 -0.00 0.38 -0.75 4.32 4.00 3k9yA1 LYS 178 HB2 0.04 0.12 0.15 -0.04 1.87 2.14 3k9yA1 LYS 178 HB3 0.03 -0.03 -0.02 -0.04 1.79 1.73 3k9yA1 LYS 178 HG2 0.05 -0.05 0.09 -0.04 1.46 1.51 3k9yA1 LYS 178 HG3 0.05 0.06 0.15 -0.04 1.46 1.68 3k9yA1 LYS 178 HD2 0.04 0.02 0.03 -0.04 1.69 1.74 3k9yA1 LYS 178 HD3 0.03 -0.00 -0.07 -0.04 1.68 1.59 3k9yA1 LYS 178 HE2 0.05 -0.05 0.02 -0.04 2.99 2.97 3k9yA1 LYS 178 HE3 0.06 0.01 0.04 -0.04 2.99 3.07 3k9yA1 ILE 179 H 0.06 0.34 -0.39 -0.55 8.25 7.70 3k9yA1 ILE 179 HA 0.06 0.01 0.38 -0.75 4.18 3.88 3k9yA1 ILE 179 HB 0.10 0.16 -0.03 -0.04 1.89 2.08 3k9yA1 ILE 179 HG12 0.02 -0.02 -0.04 -0.04 1.49 1.41 3k9yA1 ILE 179 HG13 0.04 0.05 -0.12 -0.04 1.21 1.14 3k9yA1 ILE 179 HG23 0.16 -0.02 -0.12 -0.04 0.93 0.91 3k9yA1 ILE 179 HD13 0.05 -0.00 -0.11 -0.04 0.88 0.78 3k9yA1 ASN 180 H 0.11 0.42 -0.07 -0.55 8.53 8.45 3k9yA1 ASN 180 HA -0.07 -0.06 0.44 -0.75 4.76 4.31 3k9yA1 ASN 180 HB2 0.21 0.12 0.25 -0.04 2.88 3.42 3k9yA1 ASN 180 HB3 0.48 -0.04 0.01 -0.04 2.79 3.20 3k9yA1 ASN 180 HD21 0.22 -0.05 -0.05 -0.04 7.03 7.11 3k9yA1 ASN 180 HD22 0.19 -0.08 -0.03 -0.04 7.74 7.79 3k9yA1 GLU 181 H 0.07 0.69 -0.11 -0.55 8.60 8.70 3k9yA1 GLU 181 HA 0.06 -0.00 0.37 -0.75 4.29 3.97 3k9yA1 GLU 181 HB2 0.05 0.24 0.16 -0.04 2.09 2.49 3k9yA1 GLU 181 HB3 0.05 -0.06 0.00 -0.04 1.99 1.94 3k9yA1 GLU 181 HG2 0.07 -0.03 -0.01 -0.04 2.34 2.34 3k9yA1 GLU 181 HG3 0.07 0.03 -0.23 -0.04 2.34 2.17 3k9yA1 VAL 182 H 0.03 0.45 -0.27 -0.55 8.24 7.90 3k9yA1 VAL 182 HA 0.07 -0.02 0.42 -0.75 4.13 3.84 3k9yA1 VAL 182 HB 0.09 0.18 0.25 -0.04 2.12 2.60 3k9yA1 VAL 182 HG13 0.32 -0.03 -0.13 -0.04 0.97 1.08 3k9yA1 VAL 182 HG23 0.03 -0.02 -0.06 -0.04 0.95 0.86 3k9yA1 LEU 183 H -0.09 0.81 0.15 -0.55 8.37 8.69 3k9yA1 LEU 183 HA -0.35 -0.05 0.36 -0.75 4.35 3.55 3k9yA1 LEU 183 HB2 -0.65 0.06 0.22 -0.04 1.64 1.23 3k9yA1 LEU 183 HB3 -2.03 -0.01 -0.02 -0.04 1.64 -0.46 3k9yA1 LEU 183 HG -0.23 0.03 0.05 -0.04 1.64 1.44 3k9yA1 LEU 183 HD13 -0.24 -0.07 -0.10 -0.04 0.93 0.48 3k9yA1 LEU 183 HD23 -0.69 -0.03 0.05 -0.04 0.89 0.18 3k9yA1 ALA 184 H -0.42 0.82 -0.40 -0.55 8.40 7.85 3k9yA1 ALA 184 HA -0.24 -0.02 0.38 -0.75 4.34 3.71 3k9yA1 ALA 184 HB3 0.04 0.07 0.16 -0.04 1.41 1.64 3k9yA1 ASP 185 H 0.00 0.44 0.11 -0.55 8.40 8.40 3k9yA1 ASP 185 HA 0.04 -0.02 0.36 -0.75 4.63 4.26 3k9yA1 ASP 185 HB2 0.08 0.06 0.09 -0.04 2.71 2.90 3k9yA1 ASP 185 HB3 0.07 -0.01 0.03 -0.04 2.70 2.75 3k9yA1 PHE 186 H 0.08 0.55 -0.59 -0.55 8.34 7.82 3k9yA1 PHE 186 HA -0.00 0.03 0.43 -0.75 4.62 4.33 3k9yA1 PHE 186 HB2 0.00 -0.04 -0.03 -0.04 3.15 3.05 3k9yA1 PHE 186 HB3 -0.30 0.12 0.11 -0.04 3.06 2.96 3k9yA1 PHE 186 HD2 -0.26 0.00 -0.04 -0.04 7.28 6.94 3k9yA1 PHE 186 HE2 -0.14 0.01 -0.11 -0.04 7.38 7.10 3k9yA1 PHE 186 HZ -0.02 -0.03 -0.19 -0.04 7.32 7.04 3k9yA1 LEU 187 H -0.12 0.69 0.13 -0.55 8.37 8.52 3k9yA1 LEU 187 HA -0.32 0.00 0.54 -0.75 4.35 3.82 3k9yA1 LEU 187 HB2 0.03 0.15 0.23 -0.04 1.64 2.00 3k9yA1 LEU 187 HB3 0.08 -0.01 0.00 -0.04 1.64 1.67 3k9yA1 LEU 187 HG -0.04 -0.02 -0.02 -0.04 1.64 1.52 3k9yA1 LEU 187 HD13 -0.20 -0.02 -0.01 -0.04 0.93 0.66 3k9yA1 LEU 187 HD23 0.31 -0.02 -0.13 -0.04 0.89 1.01 3k9yA1 GLU 188 H -0.01 0.67 0.02 -0.55 8.60 8.73 3k9yA1 GLU 188 HA 0.02 -0.00 0.32 -0.75 4.29 3.88 3k9yA1 GLU 188 HB2 0.04 -0.03 0.03 -0.04 2.09 2.09 3k9yA1 GLU 188 HB3 0.02 0.04 0.08 -0.04 1.99 2.09 3k9yA1 GLU 188 HG2 0.02 0.05 -0.27 -0.04 2.34 2.10 3k9yA1 GLU 188 HG3 0.02 -0.03 0.03 -0.04 2.34 2.32 3k9yA1 ARG 189 H -0.07 0.31 -0.72 -0.55 8.46 7.44 3k9yA1 ARG 189 HA -0.01 0.03 0.64 -0.75 4.34 4.24 3k9yA1 ARG 189 HB2 0.03 0.16 0.18 -0.04 1.90 2.23 3k9yA1 ARG 189 HB3 -0.04 0.08 0.12 -0.04 1.80 1.91 3k9yA1 ARG 189 HG2 0.01 -0.11 0.12 -0.04 1.67 1.64 3k9yA1 ARG 189 HG3 0.04 0.13 0.14 -0.04 1.67 1.94 3k9yA1 ARG 189 HD2 0.13 -0.02 0.01 -0.04 3.22 3.31 3k9yA1 ARG 189 HD3 0.04 -0.05 -0.07 -0.04 3.22 3.10 3k9yA1 MET 190 H -0.24 0.29 -0.06 -0.55 8.47 7.91 3k9yA1 MET 190 HA -0.22 -0.04 0.41 -0.75 4.52 3.92 3k9yA1 MET 190 HB2 -0.18 0.16 0.37 -0.04 2.15 2.46 3k9yA1 MET 190 HB3 -0.26 -0.02 0.01 -0.04 2.03 1.72 3k9yA1 MET 190 HG2 -0.74 -0.08 0.01 -0.04 2.63 1.78 3k9yA1 MET 190 HG3 -1.14 0.24 -0.04 -0.04 2.56 1.58 3k9yA1 MET 190 HE3 -0.69 0.00 -0.10 -0.04 2.10 1.28 3k9yA1 ASP 191 H 0.06 0.36 0.00 -0.55 8.40 8.28 3k9yA1 ASP 191 HA 0.14 0.02 0.33 -0.75 4.63 4.36 3k9yA1 ASP 191 HB2 0.07 0.01 0.02 -0.04 2.71 2.76 3k9yA1 ASP 191 HB3 0.14 -0.01 0.09 -0.04 2.70 2.88 3k9yA1 GLU 192 H 0.00 0.14 -0.73 -0.55 8.60 7.47 3k9yA1 GLU 192 HA 0.01 0.02 0.45 -0.75 4.29 4.02 3k9yA1 GLU 192 HB2 0.00 0.06 0.15 -0.04 2.09 2.26 3k9yA1 GLU 192 HB3 0.00 0.07 0.09 -0.04 1.99 2.10 3k9yA1 GLU 192 HG2 0.01 -0.04 0.07 -0.04 2.34 2.34 3k9yA1 GLU 192 HG3 0.01 -0.07 0.05 -0.04 2.34 2.28 3k9yA1 LEU 193 H -0.02 0.51 0.07 -0.55 8.37 8.38 3k9yA1 LEU 193 HA -0.00 -0.05 0.50 -0.75 4.35 4.05 3k9yA1 LEU 193 HB2 -0.02 0.04 0.08 -0.04 1.64 1.70 3k9yA1 LEU 193 HB3 -0.01 -0.13 0.10 -0.04 1.64 1.56 3k9yA1 LEU 193 HG -0.03 0.38 0.05 -0.04 1.64 1.99 3k9yA1 LEU 193 HD13 0.02 -0.04 -0.03 -0.04 0.93 0.83 3k9yA1 LEU 193 HD23 0.01 -0.04 -0.02 -0.04 0.89 0.80 3k9yA1 CYS 194 H 0.01 0.43 -0.18 -0.55 8.50 8.20 3k9yA1 CYS 194 HA -0.01 0.15 0.35 -0.75 4.58 4.32 3k9yA1 CYS 194 HB2 0.06 0.23 0.11 -0.04 2.97 3.33 3k9yA1 CYS 194 HB3 0.06 -0.18 -0.12 -0.04 2.97 2.69 3k9yA1 ASP 195 H -0.01 0.11 0.22 -0.55 8.40 8.17 3k9yA1 ASP 195 HA 0.00 0.23 0.60 -0.75 4.63 4.70 3k9yA1 ASP 195 HB2 -0.01 0.01 0.10 -0.04 2.71 2.76 3k9yA1 ASP 195 HB3 -0.01 0.12 0.14 -0.04 2.70 2.90 3k9yA1 GLU 196 H 0.00 -0.59 0.32 -0.55 8.60 7.78 3k9yA1 GLU 196 HA 0.02 0.20 0.39 -0.75 4.29 4.15 3k9yA1 GLU 196 HB2 0.01 0.01 0.12 -0.04 2.09 2.18 3k9yA1 GLU 196 HB3 0.01 0.26 -0.03 -0.04 1.99 2.18 3k9yA1 GLU 196 HG2 0.00 0.01 -0.28 -0.04 2.34 2.03 3k9yA1 GLU 196 HG3 0.00 0.02 -0.09 -0.04 2.34 2.23 3k9yA1 ARG 197 H -0.00 -0.24 0.29 -0.55 8.46 7.95 3k9yA1 ARG 197 HA 0.00 0.22 0.63 -0.75 4.34 4.44 3k9yA1 ARG 197 HB2 -0.03 -0.14 0.09 -0.04 1.90 1.79 3k9yA1 ARG 197 HB3 -0.02 0.10 0.12 -0.04 1.80 1.96 3k9yA1 ARG 197 HG2 -0.01 -0.09 0.06 -0.04 1.67 1.59 3k9yA1 ARG 197 HG3 -0.02 0.03 0.04 -0.04 1.67 1.68 3k9yA1 ARG 197 HD2 -0.00 0.06 -0.04 -0.04 3.22 3.20 3k9yA1 ARG 197 HD3 -0.01 0.01 -0.02 -0.04 3.22 3.16 3k9yA1 GLY 198 H 0.01 -0.17 -0.05 -0.55 8.43 7.67 3k9yA1 GLY 198 HA2 0.06 0.23 0.21 -0.51 4.01 4.00 3k9yA1 GLY 198 HA3 0.04 0.17 0.41 -0.51 4.01 4.13 3k9yA1 ARG 199 H -0.05 -0.14 -0.13 -0.55 8.46 7.58 3k9yA1 ARG 199 HA -0.24 0.22 0.61 -0.75 4.34 4.17 3k9yA1 ARG 199 HB2 -0.07 -0.09 0.00 -0.04 1.90 1.70 3k9yA1 ARG 199 HB3 -0.12 0.07 0.03 -0.04 1.80 1.75 3k9yA1 ARG 199 HG2 -0.11 0.12 -0.08 -0.04 1.67 1.56 3k9yA1 ARG 199 HG3 -0.07 -0.05 -0.17 -0.04 1.67 1.34 3k9yA1 ARG 199 HD2 -0.04 -0.09 -0.01 -0.04 3.22 3.04 3k9yA1 ARG 199 HD3 -0.06 0.01 -0.04 -0.04 3.22 3.09 3k9yA1 ILE 200 H -0.21 0.24 0.20 -0.55 8.25 7.93 3k9yA1 ILE 200 HA -0.06 0.34 0.80 -0.75 4.18 4.51 3k9yA1 ILE 200 HB -0.11 -0.14 -0.00 -0.04 1.89 1.60 3k9yA1 ILE 200 HG12 -0.23 -0.03 -0.19 -0.04 1.49 0.99 3k9yA1 ILE 200 HG13 0.07 -0.03 -0.10 -0.04 1.21 1.11 3k9yA1 ILE 200 HG23 0.00 0.04 -0.20 -0.04 0.93 0.73 3k9yA1 ILE 200 HD13 -0.00 0.07 -0.24 -0.04 0.88 0.66 3k9yA1 PRO 201 HA -0.04 0.03 0.69 -0.51 4.44 4.61 3k9yA1 PRO 201 HB2 -0.02 -0.00 0.03 -0.04 2.28 2.24 3k9yA1 PRO 201 HB3 -0.03 0.02 0.06 -0.04 2.02 2.03 3k9yA1 PRO 201 HG2 -0.01 0.01 0.13 -0.04 2.03 2.12 3k9yA1 PRO 201 HG3 -0.01 0.08 0.08 -0.04 2.03 2.14 3k9yA1 PRO 201 HD2 -0.02 0.15 0.18 -0.04 3.68 3.96 3k9yA1 PRO 201 HD3 -0.03 0.22 0.11 -0.04 3.65 3.90 3k9yA1 ASP 202 H -0.03 0.12 0.18 -0.55 8.40 8.12 3k9yA1 ASP 202 HA -0.01 -0.02 0.35 -0.75 4.63 4.20 3k9yA1 ASP 202 HB2 0.00 0.29 -0.28 -0.04 2.71 2.68 3k9yA1 ASP 202 HB3 0.02 -0.11 0.24 -0.04 2.70 2.81 3k9yA1 LEU 203 H -0.03 0.16 -0.01 -0.55 8.37 7.95 3k9yA1 LEU 203 HA 0.03 0.14 0.23 -0.75 4.35 4.00 3k9yA1 LEU 203 HB2 -0.08 0.15 0.12 -0.04 1.64 1.78 3k9yA1 LEU 203 HB3 -0.03 -0.10 0.16 -0.04 1.64 1.63 3k9yA1 LEU 203 HG 0.03 -0.03 -0.17 -0.04 1.64 1.43 3k9yA1 LEU 203 HD13 0.13 -0.00 -0.03 -0.04 0.93 0.99 3k9yA1 LEU 203 HD23 -0.11 0.03 -0.02 -0.04 0.89 0.75 3k9yA1 TYR 204 H 0.10 0.11 -0.06 -0.55 8.29 7.89 3k9yA1 TYR 204 HA -0.04 0.10 0.29 -0.75 4.56 4.16 3k9yA1 TYR 204 HB2 -0.09 0.03 0.10 -0.04 3.06 3.05 3k9yA1 TYR 204 HB3 -0.05 -0.06 -0.00 -0.04 2.98 2.83 3k9yA1 TYR 204 HD2 -0.10 -0.02 -0.13 -0.04 7.15 6.87 3k9yA1 TYR 204 HE2 -0.02 0.05 -0.03 -0.04 6.85 6.80 3k9yA1 SER 205 H 0.13 0.05 -0.30 -0.55 8.46 7.79 3k9yA1 SER 205 HA 0.06 0.01 0.35 -0.75 4.49 4.15 3k9yA1 SER 205 HB2 0.04 -0.06 0.07 -0.04 3.95 3.97 3k9yA1 SER 205 HB3 0.04 0.25 0.12 -0.04 3.93 4.30 3k9yA1 GLU 206 H 0.06 0.50 -0.31 -0.55 8.60 8.30 3k9yA1 GLU 206 HA 0.11 -0.01 0.39 -0.75 4.29 4.03 3k9yA1 GLU 206 HB2 0.14 0.15 0.21 -0.04 2.09 2.55 3k9yA1 GLU 206 HB3 0.28 -0.05 -0.03 -0.04 1.99 2.14 3k9yA1 GLU 206 HG2 0.06 0.31 -0.11 -0.04 2.34 2.56 3k9yA1 GLU 206 HG3 0.08 -0.02 -0.08 -0.04 2.34 2.27 3k9yA1 LEU 207 H 0.05 0.64 0.08 -0.55 8.37 8.59 3k9yA1 LEU 207 HA -0.00 -0.01 0.41 -0.75 4.35 3.99 3k9yA1 LEU 207 HB2 -0.07 0.06 0.08 -0.04 1.64 1.67 3k9yA1 LEU 207 HB3 -0.03 -0.03 -0.02 -0.04 1.64 1.52 3k9yA1 LEU 207 HG 0.06 -0.01 -0.04 -0.04 1.64 1.61 3k9yA1 LEU 207 HD13 0.19 0.00 -0.08 -0.04 0.93 1.00 3k9yA1 LEU 207 HD23 0.05 0.01 -0.13 -0.04 0.89 0.77 3k9yA1 ASN 208 H -0.11 0.66 -0.40 -0.55 8.53 8.13 3k9yA1 ASN 208 HA -0.17 -0.03 0.39 -0.75 4.76 4.20 3k9yA1 ASN 208 HB2 -0.11 0.20 0.12 -0.04 2.88 3.06 3k9yA1 ASN 208 HB3 -0.10 -0.05 -0.07 -0.04 2.79 2.54 3k9yA1 ASN 208 HD21 -0.48 0.00 -0.07 -0.04 7.03 6.44 3k9yA1 ASN 208 HD22 -0.78 0.16 -0.13 -0.04 7.74 6.94 3k9yA1 LYS 209 H -0.02 0.54 -0.13 -0.55 8.42 8.25 3k9yA1 LYS 209 HA -0.04 -0.06 0.34 -0.75 4.32 3.81 3k9yA1 LYS 209 HB2 0.07 0.26 0.15 -0.04 1.87 2.31 3k9yA1 LYS 209 HB3 0.05 -0.09 -0.11 -0.04 1.79 1.60 3k9yA1 LYS 209 HG2 -0.05 -0.12 0.02 -0.04 1.46 1.28 3k9yA1 LYS 209 HG3 0.01 0.17 0.04 -0.04 1.46 1.64 3k9yA1 LYS 209 HD2 0.07 0.06 -0.03 -0.04 1.69 1.75 3k9yA1 LYS 209 HD3 0.02 -0.03 -0.01 -0.04 1.68 1.62 3k9yA1 LYS 209 HE2 0.01 0.02 -0.01 -0.04 2.99 2.97 3k9yA1 LYS 209 HE3 -0.03 -0.10 -0.02 -0.04 2.99 2.80 3k9yA1 TRP 210 H -0.04 0.50 -0.21 -0.55 7.97 7.68 3k9yA1 TRP 210 HA -0.30 -0.01 0.33 -0.75 4.62 3.89 3k9yA1 TRP 210 HB2 -1.74 0.04 0.04 -0.04 3.23 1.53 3k9yA1 TRP 210 HB3 -0.69 0.14 0.17 -0.04 3.23 2.81 3k9yA1 TRP 210 HD1 -0.31 -0.01 -0.13 -0.04 7.22 6.73 3k9yA1 TRP 210 HE1 -0.19 -0.03 -0.09 -0.04 10.20 9.85 3k9yA1 TRP 210 HE3 -0.31 0.09 0.04 -0.04 7.59 7.38 3k9yA1 TRP 210 HZ2 -0.12 -0.04 -0.00 -0.04 7.44 7.24 3k9yA1 TRP 210 HZ3 -0.12 0.02 -0.13 -0.04 7.13 6.85 3k9yA1 TRP 210 HH2 -0.08 0.11 -0.21 -0.04 7.19 6.96 3k9yA1 SER 211 H -0.37 0.61 -0.05 -0.55 8.46 8.11 3k9yA1 SER 211 HA -1.53 -0.04 0.32 -0.75 4.49 2.48 3k9yA1 SER 211 HB2 -0.61 0.01 0.10 -0.04 3.95 3.41 3k9yA1 SER 211 HB3 -0.33 0.10 0.07 -0.04 3.93 3.72 3k9yA1 PHE 212 H -0.14 0.64 -0.38 -0.55 8.34 7.91 3k9yA1 PHE 212 HA -0.28 -0.03 0.46 -0.75 4.62 4.02 3k9yA1 PHE 212 HB2 -0.22 0.08 0.08 -0.04 3.15 3.04 3k9yA1 PHE 212 HB3 -0.20 -0.00 0.21 -0.04 3.06 3.03 3k9yA1 PHE 212 HD2 -0.23 -0.03 -0.07 -0.04 7.28 6.91 3k9yA1 PHE 212 HE2 -0.47 -0.00 -0.08 -0.04 7.38 6.78 3k9yA1 PHE 212 HZ -0.04 0.02 -0.09 -0.04 7.32 7.17 3k9yA1 GLU 213 H 0.07 0.54 0.09 -0.55 8.60 8.75 3k9yA1 GLU 213 HA -0.02 -0.12 0.34 -0.75 4.29 3.74 3k9yA1 GLU 213 HB2 0.10 -0.06 0.14 -0.04 2.09 2.23 3k9yA1 GLU 213 HB3 -0.03 0.22 0.17 -0.04 1.99 2.31 3k9yA1 GLU 213 HG2 0.10 0.06 -0.04 -0.04 2.34 2.42 3k9yA1 GLU 213 HG3 0.05 0.06 -0.16 -0.04 2.34 2.25 3k9yA1 SER 214 H -0.43 0.81 -0.23 -0.55 8.46 8.07 3k9yA1 SER 214 HA -0.14 0.01 0.49 -0.75 4.49 4.09 3k9yA1 SER 214 HB2 -0.63 0.02 0.02 -0.04 3.95 3.32 3k9yA1 SER 214 HB3 -0.79 0.04 0.14 -0.04 3.93 3.28 3k9yA1 ILE 215 H -0.42 0.55 0.10 -0.55 8.25 7.93 3k9yA1 ILE 215 HA -0.22 -0.01 0.37 -0.75 4.18 3.56 3k9yA1 ILE 215 HB -0.31 0.04 0.20 -0.04 1.89 1.77 3k9yA1 ILE 215 HG12 -0.21 -0.01 0.01 -0.04 1.49 1.24 3k9yA1 ILE 215 HG13 -0.25 -0.05 -0.01 -0.04 1.21 0.86 3k9yA1 ILE 215 HG23 -0.40 0.08 0.05 -0.04 0.93 0.62 3k9yA1 ILE 215 HD13 -0.17 -0.01 0.04 -0.04 0.88 0.71 3k9yA1 CYS 216 H -0.35 0.52 -0.47 -0.55 8.50 7.65 3k9yA1 CYS 216 HA -0.26 0.01 0.67 -0.75 4.58 4.24 3k9yA1 CYS 216 HB2 -0.29 0.10 -0.03 -0.04 2.97 2.71 3k9yA1 CYS 216 HB3 -0.20 -0.04 0.08 -0.04 2.97 2.77 3k9yA1 LEU 217 H -0.11 0.77 -0.06 -0.55 8.37 8.42 3k9yA1 LEU 217 HA 0.06 0.06 0.70 -0.75 4.35 4.41 3k9yA1 LEU 217 HB2 0.00 0.18 0.23 -0.04 1.64 2.01 3k9yA1 LEU 217 HB3 -0.02 0.04 0.13 -0.04 1.64 1.75 3k9yA1 LEU 217 HG 0.04 -0.04 -0.03 -0.04 1.64 1.57 3k9yA1 LEU 217 HD13 0.03 -0.00 -0.07 -0.04 0.93 0.85 3k9yA1 LEU 217 HD23 0.05 -0.01 -0.14 -0.04 0.89 0.75 3k9yA1 VAL 218 H -0.11 0.16 -0.15 -0.55 8.24 7.59 3k9yA1 VAL 218 HA -0.00 0.09 0.43 -0.75 4.13 3.89 3k9yA1 VAL 218 HB -0.12 0.20 0.11 -0.04 2.12 2.27 3k9yA1 VAL 218 HG13 -0.03 -0.01 0.00 -0.04 0.97 0.90 3k9yA1 VAL 218 HG23 -0.09 0.04 -0.01 -0.04 0.95 0.86 3k9yA1 LEU 219 H -0.25 0.12 -0.18 -0.55 8.37 7.52 3k9yA1 LEU 219 HA -0.20 0.21 0.89 -0.75 4.35 4.50 3k9yA1 LEU 219 HB2 -0.68 0.08 0.20 -0.04 1.64 1.20 3k9yA1 LEU 219 HB3 -1.34 -0.03 -0.06 -0.04 1.64 0.17 3k9yA1 LEU 219 HG -0.22 -0.04 0.00 -0.04 1.64 1.34 3k9yA1 LEU 219 HD13 -0.09 0.07 -0.20 -0.04 0.93 0.67 3k9yA1 LEU 219 HD23 -0.23 -0.00 -0.06 -0.04 0.89 0.55 3k9yA1 TYR 220 H -0.21 0.34 -0.02 -0.55 8.29 7.85 3k9yA1 TYR 220 HA -0.06 0.19 0.82 -0.75 4.56 4.76 3k9yA1 TYR 220 HB2 0.13 0.09 0.03 -0.04 3.06 3.27 3k9yA1 TYR 220 HB3 -0.01 -0.04 0.09 -0.04 2.98 2.98 3k9yA1 TYR 220 HD2 0.04 0.06 -0.07 -0.04 7.15 7.14 3k9yA1 TYR 220 HE2 -0.15 -0.02 -0.08 -0.04 6.85 6.56 3k9yA1 GLU 221 H -0.03 0.04 -0.37 -0.55 8.60 7.69 3k9yA1 GLU 221 HA 0.01 0.37 0.38 -0.75 4.29 4.29 3k9yA1 GLU 221 HB2 -0.06 0.07 -0.15 -0.04 2.09 1.92 3k9yA1 GLU 221 HB3 -0.00 -0.05 0.22 -0.04 1.99 2.12 3k9yA1 GLU 221 HG2 -0.02 0.16 0.02 -0.04 2.34 2.46 3k9yA1 GLU 221 HG3 -0.12 -0.04 -0.20 -0.04 2.34 1.94 3k9yA1 LYS 222 H 0.11 0.37 0.09 -0.55 8.42 8.44 3k9yA1 LYS 222 HA -0.00 0.06 0.56 -0.75 4.32 4.19 3k9yA1 LYS 222 HB2 -0.16 -0.02 0.05 -0.04 1.87 1.70 3k9yA1 LYS 222 HB3 -0.07 0.19 -0.20 -0.04 1.79 1.67 3k9yA1 LYS 222 HG2 0.04 -0.02 -0.23 -0.04 1.46 1.21 3k9yA1 LYS 222 HG3 -0.33 -0.07 -0.39 -0.04 1.46 0.63 3k9yA1 LYS 222 HD2 -0.29 0.02 -0.07 -0.04 1.69 1.32 3k9yA1 LYS 222 HD3 -0.77 -0.05 -0.10 -0.04 1.68 0.71 3k9yA1 LYS 222 HE2 -1.03 -0.01 -0.26 -0.04 2.99 1.65 3k9yA1 LYS 222 HE3 -0.35 0.04 -0.07 -0.04 2.99 2.57 3k9yA1 ARG 223 H -0.01 0.18 0.14 -0.55 8.46 8.22 3k9yA1 ARG 223 HA 0.18 0.15 0.72 -0.75 4.34 4.63 3k9yA1 ARG 223 HB2 0.03 0.05 0.11 -0.04 1.90 2.05 3k9yA1 ARG 223 HB3 0.08 -0.12 0.07 -0.04 1.80 1.80 3k9yA1 ARG 223 HG2 0.04 -0.01 -0.03 -0.04 1.67 1.63 3k9yA1 ARG 223 HG3 0.04 0.04 0.01 -0.04 1.67 1.72 3k9yA1 ARG 223 HD2 0.07 0.08 -0.05 -0.04 3.22 3.28 3k9yA1 ARG 223 HD3 0.05 0.03 -0.06 -0.04 3.22 3.21 3k9yA1 PHE 224 H 0.43 0.13 0.16 -0.55 8.34 8.51 3k9yA1 PHE 224 HA 0.05 0.26 0.74 -0.75 4.62 4.92 3k9yA1 PHE 224 HB2 0.21 -0.07 0.06 -0.04 3.15 3.31 3k9yA1 PHE 224 HB3 0.16 -0.01 0.08 -0.04 3.06 3.26 3k9yA1 PHE 224 HD2 0.11 -0.03 -0.10 -0.04 7.28 7.22 3k9yA1 PHE 224 HE2 -0.03 0.11 -0.07 -0.04 7.38 7.34 3k9yA1 PHE 224 HZ -0.24 0.00 -0.06 -0.04 7.32 6.99 3k9yA1 GLY 225 H 0.15 0.00 -0.14 -0.55 8.43 7.90 3k9yA1 GLY 225 HA2 0.08 0.01 0.26 -0.51 4.01 3.86 3k9yA1 GLY 225 HA3 0.07 0.17 0.38 -0.51 4.01 4.13 3k9yA1 LEU 226 H 0.17 -0.04 -0.22 -0.55 8.37 7.73 3k9yA1 LEU 226 HA 0.06 0.16 0.38 -0.75 4.35 4.21 3k9yA1 LEU 226 HB2 0.12 -0.05 0.05 -0.04 1.64 1.72 3k9yA1 LEU 226 HB3 0.05 0.03 0.00 -0.04 1.64 1.68 3k9yA1 LEU 226 HG 0.19 -0.05 -0.04 -0.04 1.64 1.70 3k9yA1 LEU 226 HD13 -0.17 0.01 0.01 -0.04 0.93 0.73 3k9yA1 LEU 226 HD23 -0.03 0.03 -0.09 -0.04 0.89 0.76 3k9yA1 LEU 227 H 0.11 -0.06 -0.39 -0.55 8.37 7.48 3k9yA1 LEU 227 HA 0.12 0.17 0.50 -0.75 4.35 4.40 3k9yA1 LEU 227 HB2 0.11 -0.05 -0.06 -0.04 1.64 1.61 3k9yA1 LEU 227 HB3 0.15 0.13 0.00 -0.04 1.64 1.87 3k9yA1 LEU 227 HG 0.14 -0.14 -0.13 -0.04 1.64 1.47 3k9yA1 LEU 227 HD13 0.19 -0.00 -0.14 -0.04 0.93 0.94 3k9yA1 LEU 227 HD23 0.29 0.03 -0.17 -0.04 0.89 1.00 3k9yA1 GLN 228 H 0.06 0.43 -0.42 -0.55 8.47 8.00 3k9yA1 GLN 228 HA 0.04 0.02 0.48 -0.75 4.36 4.14 3k9yA1 GLN 228 HB2 0.05 0.01 -0.42 -0.04 2.15 1.75 3k9yA1 GLN 228 HB3 0.04 0.02 -0.07 -0.04 2.02 1.97 3k9yA1 GLN 228 HG2 0.03 -0.04 -0.04 -0.04 2.40 2.31 3k9yA1 GLN 228 HG3 0.03 -0.03 -0.02 -0.04 2.39 2.32 3k9yA1 GLN 228 HE21 0.02 0.05 -0.01 -0.04 6.97 6.99 3k9yA1 GLN 228 HE22 0.03 -0.06 -0.02 -0.04 7.69 7.60 3k9yA1 LYS 229 H 0.03 0.11 0.07 -0.55 8.42 8.07 3k9yA1 LYS 229 HA 0.02 -0.03 0.26 -0.75 4.32 3.82 3k9yA1 LYS 229 HB2 0.01 -0.09 0.12 -0.04 1.87 1.86 3k9yA1 LYS 229 HB3 0.01 0.05 0.12 -0.04 1.79 1.94 3k9yA1 LYS 229 HG2 0.02 0.01 -0.15 -0.04 1.46 1.30 3k9yA1 LYS 229 HG3 0.01 -0.02 -0.17 -0.04 1.46 1.24 3k9yA1 LYS 229 HD2 0.01 0.04 0.02 -0.04 1.69 1.72 3k9yA1 LYS 229 HD3 0.01 0.02 -0.03 -0.04 1.68 1.64 3k9yA1 LYS 229 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.93 3k9yA1 LYS 229 HE3 0.01 -0.04 0.02 -0.04 2.99 2.94 3k9yA1 GLU 230 H 0.01 0.06 0.13 -0.55 8.60 8.25 3k9yA1 GLU 230 HA 0.01 -0.06 0.33 -0.75 4.29 3.81 3k9yA1 GLU 230 HB2 0.01 -0.06 -0.27 -0.04 2.09 1.73 3k9yA1 GLU 230 HB3 0.01 0.17 0.25 -0.04 1.99 2.38 3k9yA1 GLU 230 HG2 0.00 -0.06 0.07 -0.04 2.34 2.32 3k9yA1 GLU 230 HG3 0.01 0.01 0.04 -0.04 2.34 2.35 3k9yA1 THR 231 H 0.02 -0.04 -0.32 -0.55 8.28 7.39 3k9yA1 THR 231 HA 0.02 0.01 0.46 -0.75 4.39 4.12 3k9yA1 THR 231 HB 0.04 0.37 0.26 -0.04 4.32 4.95 3k9yA1 THR 231 HG23 0.03 -0.03 0.02 -0.04 1.22 1.20 3k9yA1 GLU 232 H 0.01 0.07 -0.10 -0.55 8.60 8.04 3k9yA1 GLU 232 HA 0.03 0.27 0.64 -0.75 4.29 4.47 3k9yA1 GLU 232 HB2 0.01 -0.02 0.02 -0.04 2.09 2.05 3k9yA1 GLU 232 HB3 -0.00 -0.46 0.28 -0.04 1.99 1.76 3k9yA1 GLU 232 HG2 -0.01 -0.00 -0.00 -0.04 2.34 2.29 3k9yA1 GLU 232 HG3 -0.00 -0.00 0.04 -0.04 2.34 2.33 3k9yA1 GLU 233 H 0.00 0.20 0.14 -0.55 8.60 8.40 3k9yA1 GLU 233 HA -0.00 0.10 0.38 -0.75 4.29 4.02 3k9yA1 GLU 233 HB2 0.00 0.09 0.22 -0.04 2.09 2.37 3k9yA1 GLU 233 HB3 -0.00 0.08 0.15 -0.04 1.99 2.17 3k9yA1 GLU 233 HG2 0.00 -0.09 -0.35 -0.04 2.34 1.86 3k9yA1 GLU 233 HG3 -0.00 0.12 -0.05 -0.04 2.34 2.37 3k9yA1 GLU 234 H 0.00 0.28 0.26 -0.55 8.60 8.60 3k9yA1 GLU 234 HA 0.02 -0.02 0.38 -0.75 4.29 3.92 3k9yA1 GLU 234 HB2 -0.01 0.01 0.16 -0.04 2.09 2.21 3k9yA1 GLU 234 HB3 0.00 0.11 0.06 -0.04 1.99 2.12 3k9yA1 GLU 234 HG2 -0.01 0.05 0.02 -0.04 2.34 2.36 3k9yA1 GLU 234 HG3 0.00 -0.09 0.12 -0.04 2.34 2.33 3k9yA1 ALA 235 H 0.05 0.35 -1.11 -0.55 8.40 7.15 3k9yA1 ALA 235 HA 0.23 0.10 0.35 -0.75 4.34 4.27 3k9yA1 ALA 235 HB3 0.08 -0.01 -0.08 -0.04 1.41 1.35 3k9yA1 LEU 236 H -0.01 0.19 -0.17 -0.55 8.37 7.83 3k9yA1 LEU 236 HA -0.14 0.15 0.66 -0.75 4.35 4.26 3k9yA1 LEU 236 HB2 -0.08 -0.01 0.07 -0.04 1.64 1.58 3k9yA1 LEU 236 HB3 -0.08 0.06 0.03 -0.04 1.64 1.60 3k9yA1 LEU 236 HG -0.04 0.05 0.02 -0.04 1.64 1.63 3k9yA1 LEU 236 HD13 -0.02 0.04 0.10 -0.04 0.93 1.01 3k9yA1 LEU 236 HD23 -0.03 0.02 -0.05 -0.04 0.89 0.79 3k9yA1 THR 237 H 0.00 0.41 -0.15 -0.55 8.28 7.99 3k9yA1 THR 237 HA -0.04 0.07 0.47 -0.75 4.39 4.14 3k9yA1 THR 237 HB -0.01 0.02 0.04 -0.04 4.32 4.33 3k9yA1 THR 237 HG23 -0.00 0.02 -0.07 -0.04 1.22 1.13 3k9yA1 PHE 238 H 0.13 0.46 -0.17 -0.55 8.34 8.21 3k9yA1 PHE 238 HA -0.12 0.01 0.38 -0.75 4.62 4.13 3k9yA1 PHE 238 HB2 -0.04 -0.01 0.10 -0.04 3.15 3.16 3k9yA1 PHE 238 HB3 -0.04 0.26 0.12 -0.04 3.06 3.37 3k9yA1 PHE 238 HD2 -0.01 0.00 0.01 -0.04 7.28 7.23 3k9yA1 PHE 238 HE2 -0.08 -0.01 -0.03 -0.04 7.38 7.22 3k9yA1 PHE 238 HZ -0.13 -0.01 -0.06 -0.04 7.32 7.08 3k9yA1 ILE 239 H -0.17 0.08 -0.60 -0.55 8.25 7.02 3k9yA1 ILE 239 HA -0.66 0.09 0.43 -0.75 4.18 3.28 3k9yA1 ILE 239 HB -0.26 0.02 0.15 -0.04 1.89 1.76 3k9yA1 ILE 239 HG12 -0.38 0.66 0.14 -0.04 1.49 1.87 3k9yA1 ILE 239 HG13 -0.48 -0.07 -0.08 -0.04 1.21 0.54 3k9yA1 ILE 239 HG23 -0.35 -0.01 -0.14 -0.04 0.93 0.39 3k9yA1 ILE 239 HD13 -1.51 -0.02 -0.08 -0.04 0.88 -0.76 3k9yA1 THR 240 H -0.17 0.73 -0.05 -0.55 8.28 8.24 3k9yA1 THR 240 HA -0.15 0.02 0.41 -0.75 4.39 3.91 3k9yA1 THR 240 HB -0.09 -0.06 0.02 -0.04 4.32 4.15 3k9yA1 THR 240 HG23 -0.09 0.12 0.08 -0.04 1.22 1.28 3k9yA1 ALA 241 H -0.15 0.80 -0.06 -0.55 8.40 8.45 3k9yA1 ALA 241 HA -0.17 -0.07 0.36 -0.75 4.34 3.70 3k9yA1 ALA 241 HB3 -0.14 0.07 0.12 -0.04 1.41 1.42 3k9yA1 ILE 242 H -0.39 0.39 -0.56 -0.55 8.25 7.14 3k9yA1 ILE 242 HA -0.49 -0.03 0.31 -0.75 4.18 3.22 3k9yA1 ILE 242 HB -0.37 0.13 0.10 -0.04 1.89 1.70 3k9yA1 ILE 242 HG12 -0.75 0.61 0.27 -0.04 1.49 1.58 3k9yA1 ILE 242 HG13 -0.76 -0.10 0.04 -0.04 1.21 0.35 3k9yA1 ILE 242 HG23 -0.32 -0.03 -0.05 -0.04 0.93 0.48 3k9yA1 ILE 242 HD13 -0.67 -0.05 -0.02 -0.04 0.88 0.10 3k9yA1 LYS 243 H -0.24 0.53 0.02 -0.55 8.42 8.17 3k9yA1 LYS 243 HA -0.11 0.02 0.38 -0.75 4.32 3.86 3k9yA1 LYS 243 HB2 -0.13 -0.03 0.14 -0.04 1.87 1.82 3k9yA1 LYS 243 HB3 -0.09 -0.05 0.01 -0.04 1.79 1.63 3k9yA1 LYS 243 HG2 -0.15 -0.04 -0.00 -0.04 1.46 1.22 3k9yA1 LYS 243 HG3 -0.20 0.21 -0.03 -0.04 1.46 1.41 3k9yA1 LYS 243 HD2 -0.07 -0.00 -0.03 -0.04 1.69 1.54 3k9yA1 LYS 243 HD3 -0.12 -0.02 -0.05 -0.04 1.68 1.45 3k9yA1 LYS 243 HE2 -0.13 -0.03 -0.11 -0.04 2.99 2.68 3k9yA1 LYS 243 HE3 -0.09 -0.01 -0.04 -0.04 2.99 2.81 3k9yA1 THR 244 H -0.15 0.97 -0.05 -0.55 8.28 8.50 3k9yA1 THR 244 HA -0.06 0.01 0.39 -0.75 4.39 3.98 3k9yA1 THR 244 HB -0.14 0.06 0.13 -0.04 4.32 4.32 3k9yA1 THR 244 HG23 -0.06 -0.02 -0.17 -0.04 1.22 0.93 3k9yA1 MET 245 H -0.24 0.52 0.03 -0.55 8.47 8.23 3k9yA1 MET 245 HA -0.14 -0.15 0.34 -0.75 4.52 3.82 3k9yA1 MET 245 HB2 -0.68 -0.08 0.12 -0.04 2.15 1.47 3k9yA1 MET 245 HB3 -0.62 0.24 0.12 -0.04 2.03 1.73 3k9yA1 MET 245 HG2 -0.80 -0.11 0.07 -0.04 2.63 1.74 3k9yA1 MET 245 HG3 -2.53 0.00 -0.05 -0.04 2.56 -0.07 3k9yA1 MET 245 HE3 -1.18 0.02 -0.09 -0.04 2.10 0.81 3k9yA1 MET 246 H -0.10 0.47 -0.62 -0.55 8.47 7.68 3k9yA1 MET 246 HA 0.38 -0.01 0.46 -0.75 4.52 4.60 3k9yA1 MET 246 HB2 -0.02 0.13 0.12 -0.04 2.15 2.34 3k9yA1 MET 246 HB3 0.12 -0.05 0.09 -0.04 2.03 2.15 3k9yA1 MET 246 HG2 -0.15 0.08 0.00 -0.04 2.63 2.52 3k9yA1 MET 246 HG3 -0.02 -0.05 -0.03 -0.04 2.56 2.42 3k9yA1 MET 246 HE3 0.23 0.00 0.02 -0.04 2.10 2.31 3k9yA1 SER 247 H 0.08 0.59 -0.18 -0.55 8.46 8.41 3k9yA1 SER 247 HA 0.01 0.18 0.94 -0.75 4.49 4.87 3k9yA1 SER 247 HB2 -0.01 -0.08 0.02 -0.04 3.95 3.84 3k9yA1 SER 247 HB3 0.01 0.05 0.01 -0.04 3.93 3.96 3k9yA1 THR 248 H 0.09 0.36 0.09 -0.55 8.28 8.27 3k9yA1 THR 248 HA 0.03 0.08 0.47 -0.75 4.39 4.21 3k9yA1 THR 248 HB 0.07 0.02 0.05 -0.04 4.32 4.42 3k9yA1 THR 248 HG23 0.17 0.06 0.01 -0.04 1.22 1.41 3k9yA1 PHE 249 H 0.57 0.46 0.02 -0.55 8.34 8.83 3k9yA1 PHE 249 HA 0.13 -0.03 0.25 -0.75 4.62 4.22 3k9yA1 PHE 249 HB2 0.55 -0.10 -0.01 -0.04 3.15 3.55 3k9yA1 PHE 249 HB3 0.81 0.15 0.10 -0.04 3.06 4.07 3k9yA1 PHE 249 HD2 0.13 0.08 -0.13 -0.04 7.28 7.31 3k9yA1 PHE 249 HE2 0.01 0.10 -0.07 -0.04 7.38 7.37 3k9yA1 PHE 249 HZ 0.06 0.03 -0.06 -0.04 7.32 7.30 3k9yA1 GLY 250 H -0.71 0.16 -0.85 -0.55 8.43 6.49 3k9yA1 GLY 250 HA2 -0.87 0.01 0.26 -0.51 4.01 2.91 3k9yA1 GLY 250 HA3 -0.52 0.14 0.20 -0.51 4.01 3.31 3k9yA1 LYS 251 H -0.13 0.64 -0.17 -0.55 8.42 8.21 3k9yA1 LYS 251 HA -0.05 0.04 0.52 -0.75 4.32 4.07 3k9yA1 LYS 251 HB2 -0.02 0.12 0.13 -0.04 1.87 2.05 3k9yA1 LYS 251 HB3 0.02 -0.08 0.02 -0.04 1.79 1.70 3k9yA1 LYS 251 HG2 -0.02 -0.01 0.02 -0.04 1.46 1.40 3k9yA1 LYS 251 HG3 -0.03 0.12 0.07 -0.04 1.46 1.58 3k9yA1 LYS 251 HD2 0.03 -0.04 0.01 -0.04 1.69 1.65 3k9yA1 LYS 251 HD3 0.01 0.02 0.00 -0.04 1.68 1.66 3k9yA1 LYS 251 HE2 0.03 -0.04 0.00 -0.04 2.99 2.95 3k9yA1 LYS 251 HE3 0.04 -0.04 -0.01 -0.04 2.99 2.94 3k9yA1 MET 252 H -0.07 0.38 -0.23 -0.55 8.47 8.00 3k9yA1 MET 252 HA -0.02 0.08 0.59 -0.75 4.52 4.42 3k9yA1 MET 252 HB2 -0.03 0.04 0.13 -0.04 2.15 2.25 3k9yA1 MET 252 HB3 -0.05 -0.08 0.16 -0.04 2.03 2.02 3k9yA1 MET 252 HG2 -0.36 -0.05 -0.16 -0.04 2.63 2.01 3k9yA1 MET 252 HG3 -0.12 0.06 -0.09 -0.04 2.56 2.37 3k9yA1 MET 252 HE3 -0.44 0.02 -0.04 -0.04 2.10 1.60 3k9yA1 MET 253 H -0.03 0.16 -0.63 -0.55 8.47 7.43 3k9yA1 MET 253 HA 0.02 0.11 0.92 -0.75 4.52 4.82 3k9yA1 MET 253 HB2 -0.07 0.20 0.17 -0.04 2.15 2.41 3k9yA1 MET 253 HB3 -0.03 -0.03 0.01 -0.04 2.03 1.94 3k9yA1 MET 253 HG2 0.03 -0.01 -0.18 -0.04 2.63 2.44 3k9yA1 MET 253 HG3 -0.10 0.02 -0.03 -0.04 2.56 2.41 3k9yA1 MET 253 HE3 -0.02 0.00 -0.04 -0.04 2.10 1.99 3k9yA1 VAL 254 H -0.01 0.18 0.12 -0.55 8.24 7.98 3k9yA1 VAL 254 HA 0.01 0.11 0.53 -0.75 4.13 4.03 3k9yA1 VAL 254 HB 0.02 -0.02 0.15 -0.04 2.12 2.23 3k9yA1 VAL 254 HG13 -0.03 0.01 0.05 -0.04 0.97 0.95 3k9yA1 VAL 254 HG23 0.01 0.01 0.03 -0.04 0.95 0.95 3k9yA1 THR 255 H 0.06 0.05 -0.48 -0.55 8.28 7.36 3k9yA1 THR 255 HA 0.07 0.25 0.87 -0.75 4.39 4.83 3k9yA1 THR 255 HB 0.13 -0.02 0.01 -0.04 4.32 4.40 3k9yA1 THR 255 HG23 0.09 0.02 -0.16 -0.04 1.22 1.13 3k9yA1 PRO 256 HA 0.07 0.08 0.41 -0.51 4.44 4.50 3k9yA1 PRO 256 HB2 0.01 -0.05 0.21 -0.04 2.28 2.41 3k9yA1 PRO 256 HB3 0.02 0.03 0.11 -0.04 2.02 2.14 3k9yA1 PRO 256 HG2 0.01 0.07 0.09 -0.04 2.03 2.16 3k9yA1 PRO 256 HG3 0.03 0.11 0.05 -0.04 2.03 2.18 3k9yA1 PRO 256 HD2 0.03 0.09 0.17 -0.04 3.68 3.93 3k9yA1 PRO 256 HD3 0.05 0.27 0.18 -0.04 3.65 4.11 3k9yA1 VAL 257 H 0.11 0.38 0.32 -0.55 8.24 8.50 3k9yA1 VAL 257 HA 0.25 0.01 0.33 -0.75 4.13 3.96 3k9yA1 VAL 257 HB 0.12 0.28 0.22 -0.04 2.12 2.70 3k9yA1 VAL 257 HG13 0.10 -0.00 -0.06 -0.04 0.97 0.96 3k9yA1 VAL 257 HG23 0.31 -0.02 0.00 -0.04 0.95 1.20 3k9yA1 GLU 258 H 0.04 0.10 -0.26 -0.55 8.60 7.94 3k9yA1 GLU 258 HA -0.10 0.08 0.34 -0.75 4.29 3.86 3k9yA1 GLU 258 HB2 -0.01 0.00 -0.02 -0.04 2.09 2.01 3k9yA1 GLU 258 HB3 -0.04 0.06 0.02 -0.04 1.99 1.99 3k9yA1 GLU 258 HG2 0.00 0.07 0.00 -0.04 2.34 2.38 3k9yA1 GLU 258 HG3 0.01 0.02 0.01 -0.04 2.34 2.34 3k9yA1 LEU 259 H 0.00 0.17 -0.27 -0.55 8.37 7.72 3k9yA1 LEU 259 HA -0.07 0.06 0.42 -0.75 4.35 4.00 3k9yA1 LEU 259 HB2 -0.03 -0.04 0.11 -0.04 1.64 1.63 3k9yA1 LEU 259 HB3 -0.05 0.15 0.16 -0.04 1.64 1.87 3k9yA1 LEU 259 HG -0.13 -0.02 -0.18 -0.04 1.64 1.27 3k9yA1 LEU 259 HD13 -0.06 -0.00 0.02 -0.04 0.93 0.86 3k9yA1 LEU 259 HD23 -0.06 0.00 0.01 -0.04 0.89 0.80 3k9yA1 HIS 260 H 0.07 0.50 -0.11 -0.55 8.41 8.33 3k9yA1 HIS 260 HA 0.01 -0.04 0.32 -0.75 4.63 4.16 3k9yA1 HIS 260 HB2 0.08 0.21 0.21 -0.04 3.26 3.72 3k9yA1 HIS 260 HB3 0.23 -0.07 -0.03 -0.04 3.20 3.28 3k9yA1 HIS 260 HD2 0.07 0.07 -0.50 -0.04 6.97 6.57 3k9yA1 HIS 260 HE1 0.08 -0.01 -0.09 -0.04 7.75 7.69 3k9yA1 LYS 261 H -0.33 0.73 0.00 -0.55 8.42 8.27 3k9yA1 LYS 261 HA -1.88 -0.06 0.30 -0.75 4.32 1.93 3k9yA1 LYS 261 HB2 -1.52 -0.03 0.08 -0.04 1.87 0.36 3k9yA1 LYS 261 HB3 -0.52 0.09 0.13 -0.04 1.79 1.45 3k9yA1 LYS 261 HG2 -0.43 0.05 -0.31 -0.04 1.46 0.73 3k9yA1 LYS 261 HG3 -0.90 -0.04 -0.01 -0.04 1.46 0.48 3k9yA1 LYS 261 HD2 -0.25 -0.03 -0.03 -0.04 1.69 1.35 3k9yA1 LYS 261 HD3 -0.22 -0.01 -0.03 -0.04 1.68 1.38 3k9yA1 LYS 261 HE2 -0.17 0.01 -0.05 -0.04 2.99 2.74 3k9yA1 LYS 261 HE3 0.07 -0.01 -0.03 -0.04 2.99 2.98 3k9yA1 ARG 262 H -0.24 0.49 -0.22 -0.55 8.46 7.94 3k9yA1 ARG 262 HA -0.15 0.01 0.39 -0.75 4.34 3.83 3k9yA1 ARG 262 HB2 -0.12 0.14 0.19 -0.04 1.90 2.07 3k9yA1 ARG 262 HB3 -0.09 0.01 0.02 -0.04 1.80 1.70 3k9yA1 ARG 262 HG2 -0.07 -0.00 0.10 -0.04 1.67 1.65 3k9yA1 ARG 262 HG3 -0.08 -0.03 0.05 -0.04 1.67 1.56 3k9yA1 ARG 262 HD2 -0.05 -0.00 -0.03 -0.04 3.22 3.10 3k9yA1 ARG 262 HD3 -0.05 -0.03 0.00 -0.04 3.22 3.10 3k9yA1 LEU 263 H -0.11 0.51 -0.13 -0.55 8.37 8.09 3k9yA1 LEU 263 HA -0.03 0.12 0.70 -0.75 4.35 4.38 3k9yA1 LEU 263 HB2 -0.03 -0.09 0.06 -0.04 1.64 1.53 3k9yA1 LEU 263 HB3 -0.02 -0.07 0.10 -0.04 1.64 1.61 3k9yA1 LEU 263 HG -0.08 0.35 0.07 -0.04 1.64 1.94 3k9yA1 LEU 263 HD13 -0.07 -0.04 -0.04 -0.04 0.93 0.73 3k9yA1 LEU 263 HD23 -0.04 0.00 -0.16 -0.04 0.89 0.65 3k9yA1 ASN 264 H -0.14 0.44 -0.30 -0.55 8.53 7.99 3k9yA1 ASN 264 HA 0.10 -0.03 0.27 -0.75 4.76 4.35 3k9yA1 ASN 264 HB2 0.05 0.08 -0.12 -0.04 2.88 2.85 3k9yA1 ASN 264 HB3 0.08 0.12 -0.04 -0.04 2.79 2.91 3k9yA1 ASN 264 HD21 0.15 -0.05 0.01 -0.04 7.03 7.10 3k9yA1 ASN 264 HD22 0.10 0.02 0.00 -0.04 7.74 7.82 3k9yA1 THR 265 H 0.16 0.21 -0.22 -0.55 8.28 7.88 3k9yA1 THR 265 HA 0.13 0.17 0.27 -0.75 4.39 4.20 3k9yA1 THR 265 HB 0.26 -0.11 0.06 -0.04 4.32 4.48 3k9yA1 THR 265 HG23 0.00 0.07 0.01 -0.04 1.22 1.26 3k9yA1 LYS 266 H 0.13 0.18 0.15 -0.55 8.42 8.33 3k9yA1 LYS 266 HA 0.12 0.16 0.37 -0.75 4.32 4.22 3k9yA1 LYS 266 HB2 0.08 0.02 0.17 -0.04 1.87 2.11 3k9yA1 LYS 266 HB3 0.09 -0.01 0.00 -0.04 1.79 1.83 3k9yA1 LYS 266 HG2 0.07 0.06 0.06 -0.04 1.46 1.60 3k9yA1 LYS 266 HG3 0.05 0.03 0.02 -0.04 1.46 1.52 3k9yA1 LYS 266 HD2 0.05 -0.01 -0.07 -0.04 1.69 1.62 3k9yA1 LYS 266 HD3 0.06 -0.05 0.03 -0.04 1.68 1.68 3k9yA1 LYS 266 HE2 0.04 0.02 -0.01 -0.04 2.99 3.00 3k9yA1 LYS 266 HE3 0.03 -0.01 -0.02 -0.04 2.99 2.95 3k9yA1 VAL 267 H 0.19 0.06 -0.23 -0.55 8.24 7.71 3k9yA1 VAL 267 HA 0.10 0.09 0.38 -0.75 4.13 3.94 3k9yA1 VAL 267 HB 0.22 -0.05 -0.00 -0.04 2.12 2.25 3k9yA1 VAL 267 HG13 0.01 0.01 -0.23 -0.04 0.97 0.71 3k9yA1 VAL 267 HG23 0.11 0.02 -0.01 -0.04 0.95 1.03 3k9yA1 TRP 268 H 0.41 0.03 -0.32 -0.55 7.97 7.55 3k9yA1 TRP 268 HA 0.05 0.00 0.25 -0.75 4.62 4.17 3k9yA1 TRP 268 HB2 0.15 -0.11 -0.12 -0.04 3.23 3.12 3k9yA1 TRP 268 HB3 0.13 0.18 -0.13 -0.04 3.23 3.37 3k9yA1 TRP 268 HD1 0.11 0.07 -0.20 -0.04 7.22 7.16 3k9yA1 TRP 268 HE1 0.15 0.05 -0.07 -0.04 10.20 10.29 3k9yA1 TRP 268 HE3 0.02 -0.06 -0.02 -0.04 7.59 7.49 3k9yA1 TRP 268 HZ2 0.32 0.06 -0.05 -0.04 7.44 7.72 3k9yA1 TRP 268 HZ3 0.04 -0.04 -0.03 -0.04 7.13 7.06 3k9yA1 TRP 268 HH2 0.13 0.04 -0.21 -0.04 7.19 7.11 3k9yA1 GLN 269 H 0.26 0.61 -0.42 -0.55 8.47 8.37 3k9yA1 GLN 269 HA -0.03 0.01 0.27 -0.75 4.36 3.85 3k9yA1 GLN 269 HB2 0.11 0.12 0.05 -0.04 2.15 2.39 3k9yA1 GLN 269 HB3 0.08 -0.06 -0.03 -0.04 2.02 1.97 3k9yA1 GLN 269 HG2 0.21 -0.05 -0.02 -0.04 2.40 2.49 3k9yA1 GLN 269 HG3 0.30 0.13 -0.12 -0.04 2.39 2.66 3k9yA1 GLN 269 HE21 0.09 -0.04 -0.02 -0.04 6.97 6.96 3k9yA1 GLN 269 HE22 0.10 -0.05 -0.02 -0.04 7.69 7.68 3k9yA1 ALA 270 H 0.06 0.42 -0.23 -0.55 8.40 8.11 3k9yA1 ALA 270 HA 0.01 0.02 0.44 -0.75 4.34 4.05 3k9yA1 ALA 270 HB3 0.04 -0.00 0.13 -0.04 1.41 1.54 3k9yA1 HIS 271 H 0.11 0.38 0.01 -0.55 8.41 8.36 3k9yA1 HIS 271 HA 0.00 -0.08 0.33 -0.75 4.63 4.13 3k9yA1 HIS 271 HB2 0.04 -0.07 0.03 -0.04 3.26 3.21 3k9yA1 HIS 271 HB3 -0.16 0.19 0.07 -0.04 3.20 3.25 3k9yA1 HIS 271 HD2 -0.09 0.07 -0.29 -0.04 6.97 6.62 3k9yA1 HIS 271 HE1 0.92 -0.03 -0.12 -0.04 7.75 8.48 3k9yA1 THR 272 H -0.19 0.62 -0.39 -0.55 8.28 7.77 3k9yA1 THR 272 HA 0.06 -0.03 0.33 -0.75 4.39 3.99 3k9yA1 THR 272 HB -0.13 0.08 0.17 -0.04 4.32 4.40 3k9yA1 THR 272 HG23 -0.09 -0.02 -0.07 -0.04 1.22 1.00 3k9yA1 LEU 273 H -0.04 0.70 0.08 -0.55 8.37 8.57 3k9yA1 LEU 273 HA 0.02 -0.04 0.37 -0.75 4.35 3.94 3k9yA1 LEU 273 HB2 -0.00 0.14 0.21 -0.04 1.64 1.95 3k9yA1 LEU 273 HB3 -0.03 -0.01 0.13 -0.04 1.64 1.69 3k9yA1 LEU 273 HG -0.01 -0.07 -0.03 -0.04 1.64 1.49 3k9yA1 LEU 273 HD13 0.02 -0.01 0.03 -0.04 0.93 0.94 3k9yA1 LEU 273 HD23 -0.00 -0.01 -0.01 -0.04 0.89 0.83 3k9yA1 ALA 274 H -0.10 0.66 -0.16 -0.55 8.40 8.26 3k9yA1 ALA 274 HA -0.18 -0.06 0.43 -0.75 4.34 3.78 3k9yA1 ALA 274 HB3 -0.34 0.05 0.13 -0.04 1.41 1.20 3k9yA1 TRP 275 H -0.26 0.59 -0.00 -0.55 7.97 7.75 3k9yA1 TRP 275 HA -0.29 -0.07 0.39 -0.75 4.62 3.90 3k9yA1 TRP 275 HB2 -1.18 0.22 0.16 -0.04 3.23 2.40 3k9yA1 TRP 275 HB3 -1.42 -0.04 -0.04 -0.04 3.23 1.69 3k9yA1 TRP 275 HD1 -1.17 0.13 0.00 -0.04 7.22 6.14 3k9yA1 TRP 275 HE1 -0.54 -0.05 -0.05 -0.04 10.20 9.52 3k9yA1 TRP 275 HE3 0.04 -0.03 -0.03 -0.04 7.59 7.54 3k9yA1 TRP 275 HZ2 -2.21 -0.01 -0.07 -0.04 7.44 5.11 3k9yA1 TRP 275 HZ3 -0.36 -0.01 -0.10 -0.04 7.13 6.61 3k9yA1 TRP 275 HH2 -1.01 -0.00 -0.09 -0.04 7.19 6.04 3k9yA1 ASP 276 H 0.03 0.68 -0.06 -0.55 8.40 8.51 3k9yA1 ASP 276 HA 0.25 0.00 0.33 -0.75 4.63 4.46 3k9yA1 ASP 276 HB2 0.07 0.02 0.16 -0.04 2.71 2.91 3k9yA1 ASP 276 HB3 0.09 -0.05 -0.02 -0.04 2.70 2.67 3k9yA1 THR 277 H 0.00 0.73 -0.16 -0.55 8.28 8.30 3k9yA1 THR 277 HA 0.02 -0.01 0.40 -0.75 4.39 4.05 3k9yA1 THR 277 HB -0.05 0.27 0.28 -0.04 4.32 4.78 3k9yA1 THR 277 HG23 0.01 -0.03 -0.17 -0.04 1.22 0.99 3k9yA1 ILE 278 H -0.07 0.67 0.14 -0.55 8.25 8.44 3k9yA1 ILE 278 HA 0.12 -0.04 0.34 -0.75 4.18 3.85 3k9yA1 ILE 278 HB -0.12 0.06 0.09 -0.04 1.89 1.89 3k9yA1 ILE 278 HG12 -0.22 -0.06 -0.05 -0.04 1.49 1.12 3k9yA1 ILE 278 HG13 -0.32 0.41 -0.02 -0.04 1.21 1.24 3k9yA1 ILE 278 HG23 -0.13 -0.02 -0.14 -0.04 0.93 0.60 3k9yA1 ILE 278 HD13 -0.98 0.00 -0.20 -0.04 0.88 -0.34 3k9yA1 PHE 279 H 0.29 0.64 -0.29 -0.55 8.34 8.44 3k9yA1 PHE 279 HA -0.01 -0.05 0.47 -0.75 4.62 4.28 3k9yA1 PHE 279 HB2 0.11 0.25 0.09 -0.04 3.15 3.55 3k9yA1 PHE 279 HB3 0.05 -0.05 0.01 -0.04 3.06 3.04 3k9yA1 PHE 279 HD2 0.19 0.07 -0.01 -0.04 7.28 7.49 3k9yA1 PHE 279 HE2 0.09 -0.06 -0.12 -0.04 7.38 7.26 3k9yA1 PHE 279 HZ 0.00 0.00 -0.10 -0.04 7.32 7.19 3k9yA1 LYS 280 H 0.05 0.71 -0.13 -0.55 8.42 8.49 3k9yA1 LYS 280 HA -0.04 0.02 0.61 -0.75 4.32 4.15 3k9yA1 LYS 280 HB2 -0.02 0.09 0.18 -0.04 1.87 2.09 3k9yA1 LYS 280 HB3 -0.03 -0.10 0.10 -0.04 1.79 1.72 3k9yA1 LYS 280 HG2 0.04 -0.07 0.04 -0.04 1.46 1.42 3k9yA1 LYS 280 HG3 0.06 0.49 0.16 -0.04 1.46 2.13 3k9yA1 LYS 280 HD2 0.03 -0.02 -0.02 -0.04 1.69 1.64 3k9yA1 LYS 280 HD3 0.01 -0.05 -0.02 -0.04 1.68 1.58 3k9yA1 LYS 280 HE2 0.01 -0.01 0.02 -0.04 2.99 2.97 3k9yA1 LYS 280 HE3 0.00 -0.04 -0.00 -0.04 2.99 2.91 3k9yA1 SER 281 H -0.17 0.41 -0.20 -0.55 8.46 7.96 3k9yA1 SER 281 HA -0.27 0.09 0.66 -0.75 4.49 4.21 3k9yA1 SER 281 HB2 -0.77 0.11 0.10 -0.04 3.95 3.35 3k9yA1 SER 281 HB3 -0.88 -0.04 0.04 -0.04 3.93 3.00 3k9yA1 VAL 282 H -0.34 0.36 -0.05 -0.55 8.24 7.65 3k9yA1 VAL 282 HA -0.57 0.09 0.59 -0.75 4.13 3.49 3k9yA1 VAL 282 HB -0.33 0.07 0.13 -0.04 2.12 1.95 3k9yA1 VAL 282 HG13 -0.11 -0.01 -0.14 -0.04 0.97 0.66 3k9yA1 VAL 282 HG23 -0.31 0.02 -0.01 -0.04 0.95 0.60 3k9yA1 LYS 283 H -0.32 0.52 -0.01 -0.55 8.42 8.05 3k9yA1 LYS 283 HA -1.01 -0.04 0.29 -0.75 4.32 2.81 3k9yA1 LYS 283 HB2 -0.25 0.10 0.16 -0.04 1.87 1.84 3k9yA1 LYS 283 HB3 -0.36 -0.06 -0.03 -0.04 1.79 1.31 3k9yA1 LYS 283 HG2 -1.25 -0.12 0.05 -0.04 1.46 0.10 3k9yA1 LYS 283 HG3 -0.25 0.28 0.18 -0.04 1.46 1.63 3k9yA1 LYS 283 HD2 -0.01 0.05 -0.01 -0.04 1.69 1.67 3k9yA1 LYS 283 HD3 0.00 -0.06 -0.00 -0.04 1.68 1.58 3k9yA1 LYS 283 HE2 0.14 0.02 -0.02 -0.04 2.99 3.09 3k9yA1 LYS 283 HE3 0.35 -0.08 -0.00 -0.04 2.99 3.21 3k9yA1 PRO 284 HA -0.09 0.01 0.39 -0.51 4.44 4.24 3k9yA1 PRO 284 HB2 -0.13 0.07 -0.04 -0.04 2.28 2.13 3k9yA1 PRO 284 HB3 -0.09 0.00 0.07 -0.04 2.02 1.96 3k9yA1 PRO 284 HG2 -0.12 0.12 0.05 -0.04 2.03 2.04 3k9yA1 PRO 284 HG3 -0.10 -0.01 0.05 -0.04 2.03 1.92 3k9yA1 PRO 284 HD2 -0.23 0.21 -0.43 -0.04 3.68 3.19 3k9yA1 PRO 284 HD3 -0.21 0.11 -0.06 -0.04 3.65 3.45 3k9yA1 CYS 285 H -0.22 0.33 -0.36 -0.55 8.50 7.71 3k9yA1 CYS 285 HA -0.09 0.05 0.51 -0.75 4.58 4.29 3k9yA1 CYS 285 HB2 -0.32 0.18 0.18 -0.04 2.97 2.97 3k9yA1 CYS 285 HB3 0.01 -0.03 0.05 -0.04 2.97 2.96 3k9yA1 ILE 286 H -0.07 0.56 -0.11 -0.55 8.25 8.08 3k9yA1 ILE 286 HA 0.02 0.10 0.64 -0.75 4.18 4.18 3k9yA1 ILE 286 HB 0.18 0.09 0.04 -0.04 1.89 2.16 3k9yA1 ILE 286 HG12 0.20 0.06 -0.06 -0.04 1.49 1.66 3k9yA1 ILE 286 HG13 0.12 0.16 0.00 -0.04 1.21 1.45 3k9yA1 ILE 286 HG23 0.08 -0.03 0.06 -0.04 0.93 1.00 3k9yA1 ILE 286 HD13 0.22 -0.04 -0.11 -0.04 0.88 0.91 3k9yA1 ASP 287 H -0.04 0.33 -0.65 -0.55 8.40 7.50 3k9yA1 ASP 287 HA -0.02 0.13 0.88 -0.75 4.63 4.86 3k9yA1 ASP 287 HB2 -0.03 0.11 0.13 -0.04 2.71 2.88 3k9yA1 ASP 287 HB3 -0.01 -0.05 0.04 -0.04 2.70 2.64 3k9yA1 ASN 288 H -0.05 0.41 0.09 -0.55 8.53 8.44 3k9yA1 ASN 288 HA -0.02 0.07 0.62 -0.75 4.76 4.67 3k9yA1 ASN 288 HB2 -0.05 0.16 0.26 -0.04 2.88 3.21 3k9yA1 ASN 288 HB3 -0.03 -0.00 0.05 -0.04 2.79 2.77 3k9yA1 ASN 288 HD21 -0.04 -0.03 0.01 -0.04 7.03 6.92 3k9yA1 ASN 288 HD22 -0.03 0.01 0.03 -0.04 7.74 7.70 3k9yA1 ARG 289 H -0.06 0.38 -0.01 -0.55 8.46 8.22 3k9yA1 ARG 289 HA -0.16 0.11 0.36 -0.75 4.34 3.89 3k9yA1 ARG 289 HB2 -0.11 0.22 0.10 -0.04 1.90 2.07 3k9yA1 ARG 289 HB3 -0.13 -0.03 0.03 -0.04 1.80 1.63 3k9yA1 ARG 289 HG2 -0.32 -0.13 -0.11 -0.04 1.67 1.06 3k9yA1 ARG 289 HG3 -0.47 -0.03 0.07 -0.04 1.67 1.19 3k9yA1 ARG 289 HD2 -0.20 0.06 -0.23 -0.04 3.22 2.81 3k9yA1 ARG 289 HD3 -0.20 0.16 -0.06 -0.04 3.22 3.08 3k9yA1 LEU 290 H -0.09 0.10 -0.77 -0.55 8.37 7.06 3k9yA1 LEU 290 HA -0.09 0.09 0.58 -0.75 4.35 4.18 3k9yA1 LEU 290 HB2 -0.17 0.08 0.04 -0.04 1.64 1.55 3k9yA1 LEU 290 HB3 -0.19 0.02 -0.09 -0.04 1.64 1.34 3k9yA1 LEU 290 HG -0.33 0.00 -0.02 -0.04 1.64 1.25 3k9yA1 LEU 290 HD13 -0.18 0.02 -0.22 -0.04 0.93 0.51 3k9yA1 LEU 290 HD23 -0.77 0.05 0.04 -0.04 0.89 0.17 3k9yA1 GLN 291 H -0.03 0.46 -0.09 -0.55 8.47 8.26 3k9yA1 GLN 291 HA 0.02 0.02 0.41 -0.75 4.36 4.05 3k9yA1 GLN 291 HB2 -0.00 0.00 0.17 -0.04 2.15 2.28 3k9yA1 GLN 291 HB3 -0.00 0.08 0.20 -0.04 2.02 2.26 3k9yA1 GLN 291 HG2 0.02 0.02 -0.10 -0.04 2.40 2.30 3k9yA1 GLN 291 HG3 0.01 -0.04 0.11 -0.04 2.39 2.43 3k9yA1 GLN 291 HE21 0.00 -0.02 0.02 -0.04 6.97 6.93 3k9yA1 GLN 291 HE22 0.01 -0.02 0.03 -0.04 7.69 7.67 3k9yA1 ARG 292 H 0.05 0.21 -0.69 -0.55 8.46 7.48 3k9yA1 ARG 292 HA 0.09 0.09 0.59 -0.75 4.34 4.36 3k9yA1 ARG 292 HB2 0.09 0.11 0.06 -0.04 1.90 2.12 3k9yA1 ARG 292 HB3 0.22 0.04 0.02 -0.04 1.80 2.03 3k9yA1 ARG 292 HG2 0.37 -0.03 -0.12 -0.04 1.67 1.86 3k9yA1 ARG 292 HG3 0.12 -0.04 0.06 -0.04 1.67 1.76 3k9yA1 ARG 292 HD2 0.18 -0.03 -0.01 -0.04 3.22 3.32 3k9yA1 ARG 292 HD3 0.10 -0.01 -0.01 -0.04 3.22 3.25 3k9yA1 TYR 293 H 0.23 0.29 -0.22 -0.55 8.29 8.04 3k9yA1 TYR 293 HA -0.01 0.20 0.86 -0.75 4.56 4.86 3k9yA1 TYR 293 HB2 -0.03 0.04 0.19 -0.04 3.06 3.22 3k9yA1 TYR 293 HB3 -0.01 -0.05 0.21 -0.04 2.98 3.09 3k9yA1 TYR 293 HD2 -0.01 -0.35 -0.39 -0.04 7.15 6.36 3k9yA1 TYR 293 HE2 -0.00 0.02 -0.07 -0.04 6.85 6.75 3k9yA1 SER 294 H 0.09 0.23 -0.54 -0.55 8.46 7.70 3k9yA1 SER 294 HA 0.08 0.09 0.44 -0.75 4.49 4.35 3k9yA1 SER 294 HB2 0.04 -0.06 0.07 -0.04 3.95 3.96 3k9yA1 SER 294 HB3 0.05 -0.05 0.03 -0.04 3.93 3.92 3k9yA1 GLN 295 H 0.02 0.15 -0.12 -0.55 8.47 7.97 3k9yA1 GLN 295 HA 0.01 0.21 0.78 -0.75 4.36 4.61 3k9yA1 GLN 295 HB2 -0.00 0.01 0.12 -0.04 2.15 2.24 3k9yA1 GLN 295 HB3 -0.00 0.01 0.22 -0.04 2.02 2.21 3k9yA1 GLN 295 HG2 0.01 0.05 -0.03 -0.04 2.40 2.38 3k9yA1 GLN 295 HG3 0.01 -0.03 -0.07 -0.04 2.39 2.26 3k9yA1 GLN 295 HE21 0.00 -0.02 0.02 -0.04 6.97 6.93 3k9yA1 GLN 295 HE22 0.00 0.01 0.01 -0.04 7.69 7.68 3k9yA1 GLN 296 H 0.03 0.33 -0.78 -0.55 8.47 7.50 3k9yA1 GLN 296 HA -0.02 0.19 0.71 -0.75 4.36 4.48 3k9yA1 GLN 296 HB2 -0.09 -0.06 0.04 -0.04 2.15 2.00 3k9yA1 GLN 296 HB3 -0.11 -0.02 0.13 -0.04 2.02 1.99 3k9yA1 GLN 296 HG2 -0.07 0.09 -0.01 -0.04 2.40 2.37 3k9yA1 GLN 296 HG3 -0.06 -0.12 -0.61 -0.04 2.39 1.55 3k9yA1 GLN 296 HE21 -0.18 -0.01 0.04 -0.04 6.97 6.78 3k9yA1 GLN 296 HE22 -0.10 -0.04 -0.01 -0.04 7.69 7.50 3k9yA1 PRO 297 HA 0.03 0.02 0.41 -0.51 4.44 4.39 3k9yA1 PRO 297 HB2 0.01 0.04 -0.04 -0.04 2.28 2.25 3k9yA1 PRO 297 HB3 0.01 0.05 0.09 -0.04 2.02 2.13 3k9yA1 PRO 297 HG2 0.00 0.03 0.03 -0.04 2.03 2.05 3k9yA1 PRO 297 HG3 0.00 0.04 0.02 -0.04 2.03 2.05 3k9yA1 PRO 297 HD2 -0.00 0.20 -0.23 -0.04 3.68 3.60 3k9yA1 PRO 297 HD3 0.01 0.16 -0.03 -0.04 3.65 3.76 3k9yA1 GLY 298 H 0.03 0.14 0.08 -0.55 8.43 8.14 3k9yA1 GLY 298 HA2 0.03 0.01 0.33 -0.51 4.01 3.88 3k9yA1 GLY 298 HA3 0.03 0.13 0.55 -0.51 4.01 4.21 3k9yA1 ALA 299 H 0.06 0.38 -0.63 -0.55 8.40 7.67 3k9yA1 ALA 299 HA 0.09 0.06 0.41 -0.75 4.34 4.14 3k9yA1 ALA 299 HB3 0.08 0.00 0.13 -0.04 1.41 1.58 3k9yA1 ASP 300 H 0.35 0.17 0.07 -0.55 8.40 8.44 3k9yA1 ASP 300 HA 0.06 0.13 0.56 -0.75 4.63 4.63 3k9yA1 ASP 300 HB2 -0.07 0.12 0.18 -0.04 2.71 2.89 3k9yA1 ASP 300 HB3 -0.14 -0.26 0.14 -0.04 2.70 2.40 3k9yA1 PHE 301 H 0.18 0.25 0.23 -0.55 8.34 8.45 3k9yA1 PHE 301 HA -0.00 0.13 0.33 -0.75 4.62 4.32 3k9yA1 PHE 301 HB2 0.00 0.08 0.13 -0.04 3.15 3.33 3k9yA1 PHE 301 HB3 0.01 0.08 0.19 -0.04 3.06 3.30 3k9yA1 PHE 301 HD2 0.02 0.03 -0.09 -0.04 7.28 7.19 3k9yA1 PHE 301 HE2 0.14 0.09 -0.01 -0.04 7.38 7.56 3k9yA1 PHE 301 HZ -0.02 -0.01 -0.02 -0.04 7.32 7.22 3k9yA1 LEU 302 H -0.77 0.07 -0.29 -0.55 8.37 6.83 3k9yA1 LEU 302 HA -0.31 0.14 0.46 -0.75 4.35 3.89 3k9yA1 LEU 302 HB2 -0.86 0.08 0.08 -0.04 1.64 0.89 3k9yA1 LEU 302 HB3 -0.37 -0.04 0.02 -0.04 1.64 1.20 3k9yA1 LEU 302 HG -0.12 -0.05 -0.11 -0.04 1.64 1.33 3k9yA1 LEU 302 HD13 -0.03 0.01 -0.00 -0.04 0.93 0.87 3k9yA1 LEU 302 HD23 -0.15 0.03 -0.02 -0.04 0.89 0.70 3k9yA1 CYS 303 H -0.22 0.10 -0.10 -0.55 8.50 7.73 3k9yA1 CYS 303 HA 0.01 0.02 0.36 -0.75 4.58 4.22 3k9yA1 CYS 303 HB2 -0.07 0.03 0.08 -0.04 2.97 2.96 3k9yA1 CYS 303 HB3 -0.01 -0.01 0.10 -0.04 2.97 3.00 3k9yA1 ASP 304 H -0.03 0.36 -0.65 -0.55 8.40 7.54 3k9yA1 ASP 304 HA -0.00 0.02 0.53 -0.75 4.63 4.43 3k9yA1 ASP 304 HB2 0.03 0.14 0.02 -0.04 2.71 2.86 3k9yA1 ASP 304 HB3 0.01 0.04 -0.06 -0.04 2.70 2.64 3k9yA1 ILE 305 H -0.05 0.37 -0.19 -0.55 8.25 7.83 3k9yA1 ILE 305 HA -0.10 0.12 0.31 -0.75 4.18 3.76 3k9yA1 ILE 305 HB -0.16 0.06 0.13 -0.04 1.89 1.87 3k9yA1 ILE 305 HG12 -0.12 0.01 0.01 -0.04 1.49 1.35 3k9yA1 ILE 305 HG13 -0.05 0.40 0.19 -0.04 1.21 1.71 3k9yA1 ILE 305 HG23 -0.32 -0.03 -0.23 -0.04 0.93 0.30 3k9yA1 ILE 305 HD13 -0.68 -0.03 -0.18 -0.04 0.88 -0.05 3k9yA1 TYR 306 H 0.05 0.51 -0.16 -0.55 8.29 8.15 3k9yA1 TYR 306 HA -0.09 0.01 0.32 -0.75 4.56 4.05 3k9yA1 TYR 306 HB2 -0.07 -0.05 0.01 -0.04 3.06 2.91 3k9yA1 TYR 306 HB3 -0.08 0.06 0.06 -0.04 2.98 2.98 3k9yA1 TYR 306 HD2 -0.06 0.08 -0.03 -0.04 7.15 7.10 3k9yA1 TYR 306 HE2 -0.04 -0.10 0.05 -0.04 6.85 6.72 3k9yA1 GLN 307 H -0.08 0.21 -0.65 -0.55 8.47 7.40 3k9yA1 GLN 307 HA -0.50 0.17 1.08 -0.75 4.36 4.36 3k9yA1 GLN 307 HB2 -0.08 0.11 0.14 -0.04 2.15 2.28 3k9yA1 GLN 307 HB3 -0.16 -0.05 0.01 -0.04 2.02 1.77 3k9yA1 GLN 307 HG2 -0.23 -0.05 -0.02 -0.04 2.40 2.06 3k9yA1 GLN 307 HG3 0.07 -0.02 -0.12 -0.04 2.39 2.28 3k9yA1 GLN 307 HE21 0.04 0.09 0.06 -0.04 6.97 7.12 3k9yA1 GLN 307 HE22 -0.00 -0.07 0.02 -0.04 7.69 7.60 3k9yA1 GLN 308 H -0.14 0.81 0.08 -0.55 8.47 8.68 3k9yA1 GLN 308 HA -0.20 0.17 1.05 -0.75 4.36 4.62 3k9yA1 GLN 308 HB2 -0.04 -0.02 0.22 -0.04 2.15 2.27 3k9yA1 GLN 308 HB3 -0.07 -0.04 0.05 -0.04 2.02 1.92 3k9yA1 GLN 308 HG2 -0.05 0.11 0.21 -0.04 2.40 2.62 3k9yA1 GLN 308 HG3 -0.04 0.04 0.13 -0.04 2.39 2.48 3k9yA1 GLN 308 HE21 -0.00 -0.04 0.03 -0.04 6.97 6.92 3k9yA1 GLN 308 HE22 -0.01 -0.03 0.08 -0.04 7.69 7.68 3k9yA1 ASP 309 H -0.23 -0.75 -0.24 -0.55 8.40 6.63 3k9yA1 ASP 309 HA 0.01 0.02 0.35 -0.75 4.63 4.25 3k9yA1 ASP 309 HB2 -0.09 0.00 -0.29 -0.04 2.71 2.29 3k9yA1 ASP 309 HB3 -0.10 0.04 -0.05 -0.04 2.70 2.56 3k9yA1 HIS 310 H -0.33 -0.51 -0.18 -0.55 8.41 6.85 3k9yA1 HIS 310 HA -0.15 0.16 0.34 -0.75 4.63 4.22 3k9yA1 HIS 310 HB2 -0.06 0.01 -0.05 -0.04 3.26 3.12 3k9yA1 HIS 310 HB3 -0.08 -0.05 0.01 -0.04 3.20 3.04 3k9yA1 HIS 310 HD2 -0.10 -0.04 0.06 -0.04 6.97 6.84 3k9yA1 HIS 310 HE1 -0.05 -0.03 0.05 -0.04 7.75 7.68 3k9yA1 LEU 311 H -0.09 0.46 0.16 -0.55 8.37 8.36 3k9yA1 LEU 311 HA 0.02 0.07 0.68 -0.75 4.35 4.36 3k9yA1 LEU 311 HB2 -0.02 0.14 -0.32 -0.04 1.64 1.40 3k9yA1 LEU 311 HB3 0.05 -0.09 -0.18 -0.04 1.64 1.38 3k9yA1 LEU 311 HG 0.04 -0.15 0.03 -0.04 1.64 1.53 3k9yA1 LEU 311 HD13 -0.01 0.09 0.02 -0.04 0.93 0.99 3k9yA1 LEU 311 HD23 -0.01 -0.02 -0.12 -0.04 0.89 0.71 3k9yA1 SER 312 H 0.04 0.12 0.14 -0.55 8.46 8.21 3k9yA1 SER 312 HA 0.08 0.25 0.70 -0.75 4.49 4.77 3k9yA1 SER 312 HB2 0.01 0.01 0.15 -0.04 3.95 4.08 3k9yA1 SER 312 HB3 0.02 0.14 0.12 -0.04 3.93 4.16 3k9yA1 LYS 313 H 0.06 0.27 0.23 -0.55 8.42 8.43 3k9yA1 LYS 313 HA -0.26 0.13 0.42 -0.75 4.32 3.85 3k9yA1 LYS 313 HB2 -0.26 -0.02 0.12 -0.04 1.87 1.67 3k9yA1 LYS 313 HB3 -0.61 0.07 0.06 -0.04 1.79 1.28 3k9yA1 LYS 313 HG2 -0.41 0.07 0.10 -0.04 1.46 1.19 3k9yA1 LYS 313 HG3 0.08 -0.01 0.17 -0.04 1.46 1.65 3k9yA1 LYS 313 HD2 -0.00 -0.02 0.05 -0.04 1.69 1.68 3k9yA1 LYS 313 HD3 -0.04 0.04 0.04 -0.04 1.68 1.68 3k9yA1 LYS 313 HE2 -0.24 0.03 0.04 -0.04 2.99 2.78 3k9yA1 LYS 313 HE3 0.11 -0.00 0.05 -0.04 2.99 3.11 3k9yA1 LYS 314 H -0.16 0.09 -0.25 -0.55 8.42 7.54 3k9yA1 LYS 314 HA -0.18 0.13 0.43 -0.75 4.32 3.94 3k9yA1 LYS 314 HB2 -0.02 0.06 0.10 -0.04 1.87 1.97 3k9yA1 LYS 314 HB3 -0.01 -0.03 0.03 -0.04 1.79 1.74 3k9yA1 LYS 314 HG2 0.06 -0.08 -0.06 -0.04 1.46 1.34 3k9yA1 LYS 314 HG3 0.10 -0.00 0.17 -0.04 1.46 1.68 3k9yA1 LYS 314 HD2 0.03 -0.03 -0.00 -0.04 1.69 1.64 3k9yA1 LYS 314 HD3 0.04 0.21 0.04 -0.04 1.68 1.93 3k9yA1 LYS 314 HE2 0.04 -0.09 0.05 -0.04 2.99 2.95 3k9yA1 LYS 314 HE3 0.04 0.10 0.06 -0.04 2.99 3.16 3k9yA1 GLU 315 H -0.03 0.44 -0.38 -0.55 8.60 8.09 3k9yA1 GLU 315 HA 0.11 0.08 0.70 -0.75 4.29 4.43 3k9yA1 GLU 315 HB2 0.06 0.12 0.13 -0.04 2.09 2.36 3k9yA1 GLU 315 HB3 0.10 0.04 0.06 -0.04 1.99 2.14 3k9yA1 GLU 315 HG2 0.07 0.00 0.03 -0.04 2.34 2.40 3k9yA1 GLU 315 HG3 0.04 -0.10 0.04 -0.04 2.34 2.28 3k9yA1 LEU 316 H -0.01 0.51 -0.01 -0.55 8.37 8.31 3k9yA1 LEU 316 HA 0.23 0.04 0.42 -0.75 4.35 4.29 3k9yA1 LEU 316 HB2 -0.03 0.05 0.16 -0.04 1.64 1.78 3k9yA1 LEU 316 HB3 0.12 -0.00 -0.02 -0.04 1.64 1.70 3k9yA1 LEU 316 HG 0.09 0.02 -0.20 -0.04 1.64 1.51 3k9yA1 LEU 316 HD13 0.05 -0.01 -0.10 -0.04 0.93 0.83 3k9yA1 LEU 316 HD23 0.14 0.00 -0.10 -0.04 0.89 0.89 3k9yA1 TYR 317 H -0.02 0.71 -0.05 -0.55 8.29 8.39 3k9yA1 TYR 317 HA 0.05 0.02 0.27 -0.75 4.56 4.15 3k9yA1 TYR 317 HB2 0.23 0.01 0.08 -0.04 3.06 3.34 3k9yA1 TYR 317 HB3 0.19 -0.02 -0.03 -0.04 2.98 3.08 3k9yA1 TYR 317 HD2 0.11 -0.04 -0.01 -0.04 7.15 7.16 3k9yA1 TYR 317 HE2 0.01 0.04 -0.08 -0.04 6.85 6.79 3k9yA1 ALA 318 H 0.31 0.25 -0.44 -0.55 8.40 7.98 3k9yA1 ALA 318 HA 0.29 -0.00 0.22 -0.75 4.34 4.10 3k9yA1 ALA 318 HB3 0.26 0.02 -0.15 -0.04 1.41 1.49 3k9yA1 ALA 319 H 0.16 0.63 -0.16 -0.55 8.40 8.49 3k9yA1 ALA 319 HA 0.05 -0.13 0.43 -0.75 4.34 3.93 3k9yA1 ALA 319 HB3 0.10 0.01 0.12 -0.04 1.41 1.60 3k9yA1 VAL 320 H 0.07 0.83 0.02 -0.55 8.24 8.60 3k9yA1 VAL 320 HA -0.14 0.01 0.38 -0.75 4.13 3.62 3k9yA1 VAL 320 HB 0.10 0.06 0.09 -0.04 2.12 2.33 3k9yA1 VAL 320 HG13 0.01 -0.01 -0.13 -0.04 0.97 0.79 3k9yA1 VAL 320 HG23 0.10 0.08 0.01 -0.04 0.95 1.11 3k9yA1 THR 321 H 0.00 0.63 -0.13 -0.55 8.28 8.24 3k9yA1 THR 321 HA -0.01 -0.03 0.34 -0.75 4.39 3.94 3k9yA1 THR 321 HB -0.13 0.15 0.05 -0.04 4.32 4.36 3k9yA1 THR 321 HG23 -0.15 -0.03 -0.17 -0.04 1.22 0.83 3k9yA1 GLU 322 H -0.01 0.49 -0.28 -0.55 8.60 8.25 3k9yA1 GLU 322 HA -0.05 0.03 0.43 -0.75 4.29 3.94 3k9yA1 GLU 322 HB2 0.04 0.03 -0.05 -0.04 2.09 2.08 3k9yA1 GLU 322 HB3 0.08 -0.06 0.03 -0.04 1.99 2.01 3k9yA1 GLU 322 HG2 0.01 -0.06 -0.05 -0.04 2.34 2.19 3k9yA1 GLU 322 HG3 0.06 0.54 0.08 -0.04 2.34 2.98 3k9yA1 LEU 323 H -0.07 0.40 -0.49 -0.55 8.37 7.66 3k9yA1 LEU 323 HA -0.07 0.00 0.40 -0.75 4.35 3.93 3k9yA1 LEU 323 HB2 -0.18 0.15 0.22 -0.04 1.64 1.79 3k9yA1 LEU 323 HB3 -0.13 0.00 0.13 -0.04 1.64 1.60 3k9yA1 LEU 323 HG -0.14 -0.04 -0.07 -0.04 1.64 1.35 3k9yA1 LEU 323 HD13 -0.14 -0.01 -0.08 -0.04 0.93 0.66 3k9yA1 LEU 323 HD23 -0.34 -0.00 -0.08 -0.04 0.89 0.43 3k9yA1 GLN 324 H -0.08 0.60 0.05 -0.55 8.47 8.50 3k9yA1 GLN 324 HA -0.14 -0.02 0.32 -0.75 4.36 3.77 3k9yA1 GLN 324 HB2 -0.02 0.02 0.06 -0.04 2.15 2.16 3k9yA1 GLN 324 HB3 -0.03 0.09 0.14 -0.04 2.02 2.18 3k9yA1 GLN 324 HG2 -0.11 -0.01 -0.24 -0.04 2.40 2.00 3k9yA1 GLN 324 HG3 -0.24 -0.04 -0.03 -0.04 2.39 2.04 3k9yA1 GLN 324 HE21 0.33 0.01 -0.07 -0.04 6.97 7.19 3k9yA1 GLN 324 HE22 0.04 -0.01 -0.09 -0.04 7.69 7.59 3k9yA1 LEU 325 H -0.08 0.66 -0.10 -0.55 8.37 8.30 3k9yA1 LEU 325 HA -0.10 -0.04 0.28 -0.75 4.35 3.73 3k9yA1 LEU 325 HB2 -0.09 0.02 0.07 -0.04 1.64 1.61 3k9yA1 LEU 325 HB3 -0.12 -0.03 -0.04 -0.04 1.64 1.41 3k9yA1 LEU 325 HG -0.17 0.29 0.08 -0.04 1.64 1.80 3k9yA1 LEU 325 HD13 -0.36 -0.04 -0.11 -0.04 0.93 0.38 3k9yA1 LEU 325 HD23 -0.34 -0.03 -0.02 -0.04 0.89 0.46 3k9yA1 ALA 326 H -0.02 0.50 -0.47 -0.55 8.40 7.87 3k9yA1 ALA 326 HA 0.05 0.03 0.49 -0.75 4.34 4.16 3k9yA1 ALA 326 HB3 0.06 -0.03 0.11 -0.04 1.41 1.52 3k9yA1 ALA 327 H -0.06 0.51 -0.48 -0.55 8.40 7.83 3k9yA1 ALA 327 HA -0.05 0.04 0.64 -0.75 4.34 4.21 3k9yA1 ALA 327 HB3 -0.13 -0.01 0.11 -0.04 1.41 1.35 3k9yA1 VAL 328 H -0.14 0.25 0.10 -0.55 8.24 7.90 3k9yA1 VAL 328 HA -0.20 0.00 0.23 -0.75 4.13 3.40 3k9yA1 VAL 328 HB -0.06 -0.02 0.07 -0.04 2.12 2.07 3k9yA1 VAL 328 HG13 -0.06 0.00 -0.25 -0.04 0.97 0.62 3k9yA1 VAL 328 HG23 -0.12 0.06 0.00 -0.04 0.95 0.85 3k9yA1 GLU 329 H -0.05 0.19 -0.03 -0.55 8.60 8.16 3k9yA1 GLU 329 HA -0.09 -0.01 0.34 -0.75 4.29 3.78 3k9yA1 GLU 329 HB2 0.01 -0.01 0.08 -0.04 2.09 2.13 3k9yA1 GLU 329 HB3 0.03 0.07 0.03 -0.04 1.99 2.08 3k9yA1 GLU 329 HG2 0.14 0.05 -0.23 -0.04 2.34 2.26 3k9yA1 GLU 329 HG3 0.10 -0.06 0.00 -0.04 2.34 2.33 3k9yA1 THR 330 H -0.01 0.27 -0.21 -0.55 8.28 7.78 3k9yA1 THR 330 HA 0.02 0.02 0.24 -0.75 4.39 3.92 3k9yA1 THR 330 HB -0.03 -0.01 -0.01 -0.04 4.32 4.23 3k9yA1 THR 330 HG23 -0.06 -0.02 -0.03 -0.04 1.22 1.08 3k9yA1 THR 331 H -0.06 0.44 -0.22 -0.55 8.28 7.89 3k9yA1 THR 331 HA -0.00 0.00 0.32 -0.75 4.39 3.96 3k9yA1 THR 331 HB -0.18 0.14 0.10 -0.04 4.32 4.34 3k9yA1 THR 331 HG23 -0.12 -0.01 -0.19 -0.04 1.22 0.86 3k9yA1 ALA 332 H -0.12 0.51 -0.01 -0.55 8.40 8.24 3k9yA1 ALA 332 HA 0.10 -0.04 0.29 -0.75 4.34 3.94 3k9yA1 ALA 332 HB3 -0.21 0.00 -0.12 -0.04 1.41 1.04 3k9yA1 ASN 333 H -0.04 0.78 -0.37 -0.55 8.53 8.35 3k9yA1 ASN 333 HA 0.04 -0.09 0.34 -0.75 4.76 4.30 3k9yA1 ASN 333 HB2 0.16 0.01 0.02 -0.04 2.88 3.03 3k9yA1 ASN 333 HB3 0.13 0.15 0.12 -0.04 2.79 3.15 3k9yA1 ASN 333 HD21 0.45 0.17 0.05 -0.04 7.03 7.66 3k9yA1 ASN 333 HD22 0.65 -0.12 -0.03 -0.04 7.74 8.20 3k9yA1 SER 334 H 0.09 0.58 -0.01 -0.55 8.46 8.57 3k9yA1 SER 334 HA 0.29 0.10 0.60 -0.75 4.49 4.73 3k9yA1 SER 334 HB2 0.08 -0.01 0.03 -0.04 3.95 4.00 3k9yA1 SER 334 HB3 0.03 -0.05 0.12 -0.04 3.93 3.98 3k9yA1 LEU 335 H 0.11 0.55 -0.04 -0.55 8.37 8.45 3k9yA1 LEU 335 HA 0.09 0.05 0.35 -0.75 4.35 4.09 3k9yA1 LEU 335 HB2 0.22 0.03 0.02 -0.04 1.64 1.87 3k9yA1 LEU 335 HB3 0.11 0.14 0.12 -0.04 1.64 1.97 3k9yA1 LEU 335 HG -0.00 -0.02 -0.08 -0.04 1.64 1.50 3k9yA1 LEU 335 HD13 -0.03 -0.03 -0.17 -0.04 0.93 0.66 3k9yA1 LEU 335 HD23 -0.00 -0.01 -0.02 -0.04 0.89 0.81 3k9yA1 MET 336 H 0.03 0.52 -0.30 -0.55 8.47 8.17 3k9yA1 MET 336 HA 0.00 -0.01 0.38 -0.75 4.52 4.14 3k9yA1 MET 336 HB2 -0.09 -0.00 0.04 -0.04 2.15 2.06 3k9yA1 MET 336 HB3 -0.21 0.20 0.05 -0.04 2.03 2.03 3k9yA1 MET 336 HG2 -0.34 0.02 -0.14 -0.04 2.63 2.13 3k9yA1 MET 336 HG3 -0.08 -0.06 -0.01 -0.04 2.56 2.36 3k9yA1 MET 336 HE3 -0.48 0.05 -0.01 -0.04 2.10 1.62 3k9yA1 TRP 337 H 0.19 0.38 -0.21 -0.55 7.97 7.78 3k9yA1 TRP 337 HA 0.07 -0.01 0.44 -0.75 4.62 4.36 3k9yA1 TRP 337 HB2 0.01 0.06 0.14 -0.04 3.23 3.40 3k9yA1 TRP 337 HB3 0.02 0.00 0.01 -0.04 3.23 3.21 3k9yA1 TRP 337 HD1 0.00 0.24 0.01 -0.04 7.22 7.43 3k9yA1 TRP 337 HE1 -0.02 0.22 -0.01 -0.04 10.20 10.36 3k9yA1 TRP 337 HE3 -0.03 -0.02 -0.03 -0.04 7.59 7.47 3k9yA1 TRP 337 HZ2 -0.12 -0.15 -0.62 -0.04 7.44 6.50 3k9yA1 TRP 337 HZ3 -0.41 0.01 -0.11 -0.04 7.13 6.58 3k9yA1 TRP 337 HH2 -0.20 -0.06 -0.28 -0.04 7.19 6.61 3k9yA1 ILE 338 H 0.18 0.65 -0.22 -0.55 8.25 8.31 3k9yA1 ILE 338 HA 0.09 0.04 0.41 -0.75 4.18 3.97 3k9yA1 ILE 338 HB 0.12 0.01 0.03 -0.04 1.89 2.01 3k9yA1 ILE 338 HG12 0.11 0.00 -0.10 -0.04 1.49 1.47 3k9yA1 ILE 338 HG13 0.09 -0.02 -0.25 -0.04 1.21 0.99 3k9yA1 ILE 338 HG23 0.09 0.02 0.14 -0.04 0.93 1.13 3k9yA1 ILE 338 HD13 0.14 -0.01 -0.12 -0.04 0.88 0.85 3k9yA1 LEU 339 H 0.08 0.57 -0.07 -0.55 8.37 8.41 3k9yA1 LEU 339 HA 0.07 -0.01 0.24 -0.75 4.35 3.89 3k9yA1 LEU 339 HB2 0.09 0.08 0.11 -0.04 1.64 1.88 3k9yA1 LEU 339 HB3 0.16 -0.06 -0.07 -0.04 1.64 1.63 3k9yA1 LEU 339 HG 0.06 0.43 0.08 -0.04 1.64 2.17 3k9yA1 LEU 339 HD13 0.17 -0.04 -0.11 -0.04 0.93 0.91 3k9yA1 LEU 339 HD23 -0.00 -0.03 -0.08 -0.04 0.89 0.74 3k9yA1 TYR 340 H 0.13 0.62 -0.22 -0.55 8.29 8.27 3k9yA1 TYR 340 HA -0.03 -0.07 0.22 -0.75 4.56 3.93 3k9yA1 TYR 340 HB2 -0.17 -0.07 0.03 -0.04 3.06 2.82 3k9yA1 TYR 340 HB3 -0.00 0.13 0.11 -0.04 2.98 3.18 3k9yA1 TYR 340 HD2 0.09 0.01 -0.12 -0.04 7.15 7.09 3k9yA1 TYR 340 HE2 0.08 0.00 -0.09 -0.04 6.85 6.80 3k9yA1 ASN 341 H 0.08 0.68 -0.15 -0.55 8.53 8.59 3k9yA1 ASN 341 HA -0.40 -0.04 0.32 -0.75 4.76 3.88 3k9yA1 ASN 341 HB2 -0.42 0.12 0.14 -0.04 2.88 2.68 3k9yA1 ASN 341 HB3 -1.27 -0.11 -0.02 -0.04 2.79 1.35 3k9yA1 ASN 341 HD21 0.09 0.01 -0.08 -0.04 7.03 7.01 3k9yA1 ASN 341 HD22 -0.17 -0.07 -0.02 -0.04 7.74 7.45 3k9yA1 LEU 342 H -0.11 0.65 -0.27 -0.55 8.37 8.08 3k9yA1 LEU 342 HA -0.00 -0.04 0.37 -0.75 4.35 3.93 3k9yA1 LEU 342 HB2 0.02 0.23 0.19 -0.04 1.64 2.03 3k9yA1 LEU 342 HB3 0.04 -0.04 -0.03 -0.04 1.64 1.57 3k9yA1 LEU 342 HG 0.10 -0.05 -0.01 -0.04 1.64 1.64 3k9yA1 LEU 342 HD13 0.18 -0.01 -0.09 -0.04 0.93 0.97 3k9yA1 LEU 342 HD23 0.08 0.00 -0.15 -0.04 0.89 0.78 3k9yA1 SER 343 H -0.06 0.63 -0.02 -0.55 8.46 8.47 3k9yA1 SER 343 HA -0.01 0.18 0.25 -0.75 4.49 4.16 3k9yA1 SER 343 HB2 -0.02 -0.18 -0.31 -0.04 3.95 3.40 3k9yA1 SER 343 HB3 -0.03 0.03 -0.08 -0.04 3.93 3.81 3k9yA1 ARG 344 H -0.22 0.39 -0.89 -0.55 8.46 7.19 3k9yA1 ARG 344 HA -0.10 0.08 0.90 -0.75 4.34 4.46 3k9yA1 ARG 344 HB2 -0.32 0.15 0.07 -0.04 1.90 1.77 3k9yA1 ARG 344 HB3 -0.14 -0.11 0.15 -0.04 1.80 1.65 3k9yA1 ARG 344 HG2 -0.51 0.04 -0.17 -0.04 1.67 0.99 3k9yA1 ARG 344 HG3 -0.55 -0.06 -0.06 -0.04 1.67 0.96 3k9yA1 ARG 344 HD2 -0.08 -0.05 0.08 -0.04 3.22 3.12 3k9yA1 ARG 344 HD3 -0.11 0.05 -0.01 -0.04 3.22 3.10 3k9yA1 ASN 345 H -0.03 0.89 -0.07 -0.55 8.53 8.77 3k9yA1 ASN 345 HA 0.05 0.09 0.88 -0.75 4.76 5.02 3k9yA1 ASN 345 HB2 0.19 0.03 0.22 -0.04 2.88 3.28 3k9yA1 ASN 345 HB3 0.20 -0.20 0.16 -0.04 2.79 2.91 3k9yA1 ASN 345 HD21 -0.19 -0.12 -0.03 -0.04 7.03 6.64 3k9yA1 ASN 345 HD22 -0.25 0.44 -0.01 -0.04 7.74 7.88 3k9yA1 PRO 346 HA 0.04 0.15 0.45 -0.51 4.44 4.57 3k9yA1 PRO 346 HB2 0.03 -0.06 0.10 -0.04 2.28 2.30 3k9yA1 PRO 346 HB3 0.02 0.05 0.08 -0.04 2.02 2.14 3k9yA1 PRO 346 HG2 0.02 0.03 0.07 -0.04 2.03 2.10 3k9yA1 PRO 346 HG3 0.01 0.15 0.05 -0.04 2.03 2.21 3k9yA1 PRO 346 HD2 0.03 0.02 0.16 -0.04 3.68 3.85 3k9yA1 PRO 346 HD3 0.01 0.30 -0.26 -0.04 3.65 3.66 3k9yA1 GLN 347 H 0.05 0.19 -0.04 -0.55 8.47 8.13 3k9yA1 GLN 347 HA 0.03 0.06 0.43 -0.75 4.36 4.12 3k9yA1 GLN 347 HB2 0.06 -0.03 0.13 -0.04 2.15 2.27 3k9yA1 GLN 347 HB3 0.03 0.02 0.05 -0.04 2.02 2.08 3k9yA1 GLN 347 HG2 0.02 0.01 0.08 -0.04 2.40 2.47 3k9yA1 GLN 347 HG3 0.04 0.01 0.12 -0.04 2.39 2.51 3k9yA1 GLN 347 HE21 0.02 0.01 0.03 -0.04 6.97 6.99 3k9yA1 GLN 347 HE22 0.02 0.00 0.04 -0.04 7.69 7.72 3k9yA1 ALA 348 H 0.13 0.16 -0.15 -0.55 8.40 7.99 3k9yA1 ALA 348 HA 0.21 -0.03 0.33 -0.75 4.34 4.09 3k9yA1 ALA 348 HB3 0.28 0.07 0.07 -0.04 1.41 1.79 3k9yA1 GLN 349 H 0.12 0.30 -0.48 -0.55 8.47 7.86 3k9yA1 GLN 349 HA 0.15 0.06 0.56 -0.75 4.36 4.38 3k9yA1 GLN 349 HB2 0.09 0.20 0.10 -0.04 2.15 2.49 3k9yA1 GLN 349 HB3 0.06 0.05 0.12 -0.04 2.02 2.21 3k9yA1 GLN 349 HG2 0.07 -0.05 0.05 -0.04 2.40 2.43 3k9yA1 GLN 349 HG3 0.08 -0.03 0.04 -0.04 2.39 2.45 3k9yA1 GLN 349 HE21 0.04 0.45 0.02 -0.04 6.97 7.44 3k9yA1 GLN 349 HE22 0.04 0.15 -0.25 -0.04 7.69 7.59 3k9yA1 ARG 350 H 0.05 0.62 0.02 -0.55 8.46 8.60 3k9yA1 ARG 350 HA 0.02 0.03 0.51 -0.75 4.34 4.14 3k9yA1 ARG 350 HB2 0.01 0.24 0.41 -0.04 1.90 2.53 3k9yA1 ARG 350 HB3 -0.01 -0.09 0.06 -0.04 1.80 1.72 3k9yA1 ARG 350 HG2 0.02 0.05 0.06 -0.04 1.67 1.75 3k9yA1 ARG 350 HG3 0.01 -0.07 0.01 -0.04 1.67 1.58 3k9yA1 ARG 350 HD2 0.00 -0.00 0.01 -0.04 3.22 3.19 3k9yA1 ARG 350 HD3 -0.00 -0.04 0.01 -0.04 3.22 3.15 3k9yA1 ARG 351 H -0.04 0.62 0.10 -0.55 8.46 8.58 3k9yA1 ARG 351 HA -0.15 -0.03 0.34 -0.75 4.34 3.75 3k9yA1 ARG 351 HB2 -0.21 -0.03 0.07 -0.04 1.90 1.68 3k9yA1 ARG 351 HB3 -0.37 0.10 0.01 -0.04 1.80 1.50 3k9yA1 ARG 351 HG2 -1.29 0.02 -0.11 -0.04 1.67 0.25 3k9yA1 ARG 351 HG3 -0.41 -0.04 0.07 -0.04 1.67 1.25 3k9yA1 ARG 351 HD2 -0.27 -0.02 -0.03 -0.04 3.22 2.86 3k9yA1 ARG 351 HD3 -0.75 0.01 -0.06 -0.04 3.22 2.38 3k9yA1 LEU 352 H 0.04 0.15 -1.22 -0.55 8.37 6.79 3k9yA1 LEU 352 HA 0.15 -0.01 0.56 -0.75 4.35 4.30 3k9yA1 LEU 352 HB2 0.28 0.29 0.14 -0.04 1.64 2.32 3k9yA1 LEU 352 HB3 0.13 0.16 0.12 -0.04 1.64 2.02 3k9yA1 LEU 352 HG 0.18 0.01 -0.01 -0.04 1.64 1.77 3k9yA1 LEU 352 HD13 0.10 -0.01 -0.07 -0.04 0.93 0.91 3k9yA1 LEU 352 HD23 0.33 -0.04 -0.12 -0.04 0.89 1.02 3k9yA1 LEU 353 H 0.04 0.61 0.18 -0.55 8.37 8.65 3k9yA1 LEU 353 HA 0.02 0.09 0.39 -0.75 4.35 4.10 3k9yA1 LEU 353 HB2 0.02 0.13 0.28 -0.04 1.64 2.03 3k9yA1 LEU 353 HB3 0.00 -0.09 0.13 -0.04 1.64 1.64 3k9yA1 LEU 353 HG 0.02 0.17 0.11 -0.04 1.64 1.90 3k9yA1 LEU 353 HD13 0.00 -0.03 0.01 -0.04 0.93 0.87 3k9yA1 LEU 353 HD23 -0.00 -0.02 -0.01 -0.04 0.89 0.82 3k9yA1 GLN 354 H -0.02 0.62 -0.03 -0.55 8.47 8.50 3k9yA1 GLN 354 HA -0.02 0.01 0.38 -0.75 4.36 3.98 3k9yA1 GLN 354 HB2 -0.06 0.04 0.06 -0.04 2.15 2.14 3k9yA1 GLN 354 HB3 -0.04 -0.04 0.02 -0.04 2.02 1.91 3k9yA1 GLN 354 HG2 -0.03 -0.04 0.02 -0.04 2.40 2.31 3k9yA1 GLN 354 HG3 -0.03 0.30 0.07 -0.04 2.39 2.68 3k9yA1 GLN 354 HE21 -0.04 -0.04 -0.07 -0.04 6.97 6.78 3k9yA1 GLN 354 HE22 -0.03 0.01 -0.07 -0.04 7.69 7.56 3k9yA1 GLU 355 H -0.03 0.35 -0.30 -0.55 8.60 8.08 3k9yA1 GLU 355 HA -0.02 -0.06 0.35 -0.75 4.29 3.81 3k9yA1 GLU 355 HB2 -0.02 0.02 0.17 -0.04 2.09 2.21 3k9yA1 GLU 355 HB3 0.03 0.16 0.12 -0.04 1.99 2.26 3k9yA1 GLU 355 HG2 0.02 0.04 0.07 -0.04 2.34 2.43 3k9yA1 GLU 355 HG3 0.01 0.03 0.20 -0.04 2.34 2.54 3k9yA1 VAL 356 H 0.00 0.52 -0.74 -0.55 8.24 7.48 3k9yA1 VAL 356 HA -0.01 0.05 0.74 -0.75 4.13 4.16 3k9yA1 VAL 356 HB 0.00 0.15 0.09 -0.04 2.12 2.32 3k9yA1 VAL 356 HG13 -0.02 -0.02 0.00 -0.04 0.97 0.89 3k9yA1 VAL 356 HG23 0.03 0.12 -0.03 -0.04 0.95 1.03 3k9yA1 GLN 357 H -0.02 0.55 0.09 -0.55 8.47 8.55 3k9yA1 GLN 357 HA -0.04 0.23 0.50 -0.75 4.36 4.30 3k9yA1 GLN 357 HB2 -0.02 -0.00 0.13 -0.04 2.15 2.22 3k9yA1 GLN 357 HB3 -0.03 -0.11 -0.00 -0.04 2.02 1.84 3k9yA1 GLN 357 HG2 -0.03 -0.00 -0.05 -0.04 2.40 2.28 3k9yA1 GLN 357 HG3 -0.02 0.28 -0.04 -0.04 2.39 2.58 3k9yA1 GLN 357 HE21 -0.02 -0.06 -0.04 -0.04 6.97 6.81 3k9yA1 GLN 357 HE22 -0.02 0.03 -0.04 -0.04 7.69 7.61 3k9yA1 SER 358 H -0.02 0.69 0.11 -0.55 8.46 8.69 3k9yA1 SER 358 HA -0.02 -0.00 0.36 -0.75 4.49 4.07 3k9yA1 SER 358 HB2 -0.02 -0.05 0.03 -0.04 3.95 3.87 3k9yA1 SER 358 HB3 -0.02 -0.01 0.03 -0.04 3.93 3.88 3k9yA1 VAL 359 H -0.02 0.28 -0.27 -0.55 8.24 7.68 3k9yA1 VAL 359 HA -0.02 0.03 0.44 -0.75 4.13 3.83 3k9yA1 VAL 359 HB -0.02 0.11 0.02 -0.04 2.12 2.19 3k9yA1 VAL 359 HG13 -0.02 -0.04 0.02 -0.04 0.97 0.90 3k9yA1 VAL 359 HG23 -0.01 0.02 0.10 -0.04 0.95 1.02 3k9yA1 LEU 360 H -0.03 0.08 -0.90 -0.55 8.37 6.98 3k9yA1 LEU 360 HA -0.05 0.09 0.73 -0.75 4.35 4.37 3k9yA1 LEU 360 HB2 -0.06 0.41 0.20 -0.04 1.64 2.14 3k9yA1 LEU 360 HB3 -0.09 -0.02 0.14 -0.04 1.64 1.64 3k9yA1 LEU 360 HG -0.07 -0.01 -0.10 -0.04 1.64 1.43 3k9yA1 LEU 360 HD13 -0.03 -0.08 -0.51 -0.04 0.93 0.27 3k9yA1 LEU 360 HD23 -0.11 -0.01 -0.06 -0.04 0.89 0.66 3k9yA1 PRO 361 HA -0.04 -0.07 0.53 -0.51 4.44 4.35 3k9yA1 PRO 361 HB2 -0.03 -0.11 0.02 -0.04 2.28 2.13 3k9yA1 PRO 361 HB3 -0.03 0.03 0.13 -0.04 2.02 2.11 3k9yA1 PRO 361 HG2 -0.03 -0.07 0.09 -0.04 2.03 1.98 3k9yA1 PRO 361 HG3 -0.03 -0.03 0.06 -0.04 2.03 2.00 3k9yA1 PRO 361 HD2 -0.03 0.08 -0.21 -0.04 3.68 3.47 3k9yA1 PRO 361 HD3 -0.03 0.48 -0.11 -0.04 3.65 3.94 3k9yA1 ASP 362 H -0.04 0.04 0.21 -0.55 8.40 8.06 3k9yA1 ASP 362 HA -0.05 -0.06 0.35 -0.75 4.63 4.12 3k9yA1 ASP 362 HB2 -0.04 -0.09 0.00 -0.04 2.71 2.54 3k9yA1 ASP 362 HB3 -0.05 0.71 0.73 -0.04 2.70 4.04 3k9yA1 ASN 363 H -0.07 0.06 0.05 -0.55 8.53 8.03 3k9yA1 ASN 363 HA -0.12 0.31 0.74 -0.75 4.76 4.94 3k9yA1 ASN 363 HB2 -0.08 -0.07 0.15 -0.04 2.88 2.84 3k9yA1 ASN 363 HB3 -0.11 -0.02 0.18 -0.04 2.79 2.80 3k9yA1 ASN 363 HD21 -0.09 0.06 -0.18 -0.04 7.03 6.78 3k9yA1 ASN 363 HD22 -0.10 -0.05 -0.02 -0.04 7.74 7.53 3k9yA1 GLN 364 H -0.12 0.54 -0.41 -0.55 8.47 7.94 3k9yA1 GLN 364 HA -0.14 0.03 0.60 -0.75 4.36 4.09 3k9yA1 GLN 364 HB2 -0.10 -0.01 -0.03 -0.04 2.15 1.96 3k9yA1 GLN 364 HB3 -0.08 -0.05 -0.07 -0.04 2.02 1.78 3k9yA1 GLN 364 HG2 -0.08 0.22 -0.27 -0.04 2.40 2.22 3k9yA1 GLN 364 HG3 -0.11 -0.01 -0.18 -0.04 2.39 2.05 3k9yA1 GLN 364 HE21 -0.04 -0.04 -0.01 -0.04 6.97 6.83 3k9yA1 GLN 364 HE22 -0.07 0.00 -0.05 -0.04 7.69 7.53 3k9yA1 THR 365 H -0.19 0.05 0.11 -0.55 8.28 7.69 3k9yA1 THR 365 HA -0.74 0.09 0.44 -0.75 4.39 3.43 3k9yA1 THR 365 HB -0.11 -0.05 0.12 -0.04 4.32 4.24 3k9yA1 THR 365 HG23 -0.06 0.07 -0.08 -0.04 1.22 1.11 3k9yA1 PRO 366 HA -0.08 0.12 0.36 -0.51 4.44 4.33 3k9yA1 PRO 366 HB2 0.11 -0.09 -0.06 -0.04 2.28 2.21 3k9yA1 PRO 366 HB3 -0.00 0.04 0.05 -0.04 2.02 2.07 3k9yA1 PRO 366 HG2 -0.26 -0.12 0.03 -0.04 2.03 1.63 3k9yA1 PRO 366 HG3 -0.26 0.21 0.03 -0.04 2.03 1.97 3k9yA1 PRO 366 HD2 -0.89 -0.01 0.15 -0.04 3.68 2.89 3k9yA1 PRO 366 HD3 -1.02 0.22 0.23 -0.04 3.65 3.04 3k9yA1 ARG 367 H 0.02 0.22 0.14 -0.55 8.46 8.28 3k9yA1 ARG 367 HA 0.08 0.09 0.59 -0.75 4.34 4.36 3k9yA1 ARG 367 HB2 0.02 -0.04 -0.03 -0.04 1.90 1.80 3k9yA1 ARG 367 HB3 0.04 0.01 0.03 -0.04 1.80 1.83 3k9yA1 ARG 367 HG2 0.04 0.43 -0.35 -0.04 1.67 1.75 3k9yA1 ARG 367 HG3 -0.00 0.09 -0.29 -0.04 1.67 1.43 3k9yA1 ARG 367 HD2 0.02 0.01 -0.06 -0.04 3.22 3.15 3k9yA1 ARG 367 HD3 0.02 -0.03 -0.04 -0.04 3.22 3.12 3k9yA1 ALA 368 H 0.07 0.16 0.12 -0.55 8.40 8.20 3k9yA1 ALA 368 HA 0.06 -0.03 0.43 -0.75 4.34 4.05 3k9yA1 ALA 368 HB3 0.05 0.02 0.16 -0.04 1.41 1.61 3k9yA1 GLU 369 H 0.03 0.00 0.12 -0.55 8.60 8.21 3k9yA1 GLU 369 HA 0.01 0.03 0.34 -0.75 4.29 3.92 3k9yA1 GLU 369 HB2 0.02 0.71 0.70 -0.04 2.09 3.47 3k9yA1 GLU 369 HB3 0.01 -0.06 0.01 -0.04 1.99 1.91 3k9yA1 GLU 369 HG2 0.01 -0.00 0.06 -0.04 2.34 2.37 3k9yA1 GLU 369 HG3 0.01 0.02 0.01 -0.04 2.34 2.33 3k9yA1 ASP 370 H 0.01 0.44 0.02 -0.55 8.40 8.32 3k9yA1 ASP 370 HA -0.00 0.09 0.35 -0.75 4.63 4.32 3k9yA1 ASP 370 HB2 -0.00 -0.02 0.02 -0.04 2.71 2.66 3k9yA1 ASP 370 HB3 -0.01 0.13 0.06 -0.04 2.70 2.83 3k9yA1 LEU 371 H 0.01 -0.07 -0.49 -0.55 8.37 7.27 3k9yA1 LEU 371 HA -0.06 0.11 0.27 -0.75 4.35 3.91 3k9yA1 LEU 371 HB2 -0.01 -0.03 -0.03 -0.04 1.64 1.53 3k9yA1 LEU 371 HB3 -0.12 0.07 -0.00 -0.04 1.64 1.55 3k9yA1 LEU 371 HG 0.04 -0.18 -0.00 -0.04 1.64 1.45 3k9yA1 LEU 371 HD13 0.13 0.02 -0.04 -0.04 0.93 0.99 3k9yA1 LEU 371 HD23 0.01 0.03 -0.13 -0.04 0.89 0.76 3k9yA1 ARG 372 H -0.01 0.84 -0.25 -0.55 8.46 8.49 3k9yA1 ARG 372 HA -0.01 0.01 0.38 -0.75 4.34 3.96 3k9yA1 ARG 372 HB2 -0.00 -0.08 0.12 -0.04 1.90 1.90 3k9yA1 ARG 372 HB3 -0.00 0.08 0.06 -0.04 1.80 1.89 3k9yA1 ARG 372 HG2 -0.00 0.02 -0.13 -0.04 1.67 1.52 3k9yA1 ARG 372 HG3 0.00 -0.03 0.07 -0.04 1.67 1.67 3k9yA1 ARG 372 HD2 0.00 -0.02 -0.02 -0.04 3.22 3.15 3k9yA1 ARG 372 HD3 0.00 -0.04 0.00 -0.04 3.22 3.15 3k9yA1 ASN 373 H -0.01 0.87 -0.20 -0.55 8.53 8.64 3k9yA1 ASN 373 HA -0.00 0.10 0.77 -0.75 4.76 4.88 3k9yA1 ASN 373 HB2 -0.01 0.13 0.19 -0.04 2.88 3.15 3k9yA1 ASN 373 HB3 -0.01 -0.04 0.25 -0.04 2.79 2.94 3k9yA1 ASN 373 HD21 -0.00 -0.04 -0.03 -0.04 7.03 6.92 3k9yA1 ASN 373 HD22 -0.01 0.01 0.06 -0.04 7.74 7.76 3k9yA1 MET 374 H -0.02 0.45 -0.50 -0.55 8.47 7.85 3k9yA1 MET 374 HA 0.02 0.18 0.87 -0.75 4.52 4.83 3k9yA1 MET 374 HB2 -0.04 0.00 0.09 -0.04 2.15 2.16 3k9yA1 MET 374 HB3 -0.00 -0.18 0.20 -0.04 2.03 2.00 3k9yA1 MET 374 HG2 0.01 0.13 0.04 -0.04 2.63 2.76 3k9yA1 MET 374 HG3 -0.01 0.05 -0.63 -0.04 2.56 1.93 3k9yA1 MET 374 HE3 -0.01 -0.00 -0.38 -0.04 2.10 1.66 3k9yA1 PRO 375 HA 0.01 0.07 0.40 -0.51 4.44 4.41 3k9yA1 PRO 375 HB2 0.06 0.04 0.00 -0.04 2.28 2.35 3k9yA1 PRO 375 HB3 0.03 0.08 0.11 -0.04 2.02 2.19 3k9yA1 PRO 375 HG2 0.07 -0.02 -0.01 -0.04 2.03 2.03 3k9yA1 PRO 375 HG3 0.03 0.06 0.01 -0.04 2.03 2.10 3k9yA1 PRO 375 HD2 0.02 0.25 -0.22 -0.04 3.68 3.70 3k9yA1 PRO 375 HD3 0.01 0.24 -0.07 -0.04 3.65 3.78 3k9yA1 TYR 376 H 0.15 0.10 -0.39 -0.55 8.29 7.60 3k9yA1 TYR 376 HA 0.02 0.21 0.58 -0.75 4.56 4.61 3k9yA1 TYR 376 HB2 0.01 -0.01 -0.01 -0.04 3.06 3.00 3k9yA1 TYR 376 HB3 0.01 0.05 -0.04 -0.04 2.98 2.96 3k9yA1 TYR 376 HD2 0.02 0.02 -0.21 -0.04 7.15 6.94 3k9yA1 TYR 376 HE2 0.02 0.13 -0.09 -0.04 6.85 6.86 3k9yA1 LEU 377 H 0.09 0.15 -0.08 -0.55 8.37 7.98 3k9yA1 LEU 377 HA 0.05 0.12 0.51 -0.75 4.35 4.27 3k9yA1 LEU 377 HB2 0.07 0.06 0.08 -0.04 1.64 1.81 3k9yA1 LEU 377 HB3 -0.01 0.09 0.21 -0.04 1.64 1.90 3k9yA1 LEU 377 HG 0.08 -0.02 -0.06 -0.04 1.64 1.61 3k9yA1 LEU 377 HD13 0.05 0.05 -0.06 -0.04 0.93 0.93 3k9yA1 LEU 377 HD23 -0.16 0.02 -0.24 -0.04 0.89 0.47 3k9yA1 LYS 378 H -0.10 0.55 0.08 -0.55 8.42 8.39 3k9yA1 LYS 378 HA -0.05 0.06 0.32 -0.75 4.32 3.89 3k9yA1 LYS 378 HB2 -0.08 0.04 0.00 -0.04 1.87 1.80 3k9yA1 LYS 378 HB3 -0.06 -0.02 0.00 -0.04 1.79 1.67 3k9yA1 LYS 378 HG2 -0.87 -0.06 0.01 -0.04 1.46 0.51 3k9yA1 LYS 378 HG3 -0.26 0.17 0.10 -0.04 1.46 1.43 3k9yA1 LYS 378 HD2 -0.13 0.20 -0.11 -0.04 1.69 1.60 3k9yA1 LYS 378 HD3 -0.08 0.00 -0.10 -0.04 1.68 1.46 3k9yA1 LYS 378 HE2 -0.01 0.01 -0.07 -0.04 2.99 2.89 3k9yA1 LYS 378 HE3 -0.06 -0.05 -0.08 -0.04 2.99 2.76 3k9yA1 ALA 379 H -0.07 0.17 -0.89 -0.55 8.40 7.06 3k9yA1 ALA 379 HA -0.23 0.02 0.68 -0.75 4.34 4.06 3k9yA1 ALA 379 HB3 -0.02 0.04 0.10 -0.04 1.41 1.48 3k9yA1 CYS 380 H -0.09 0.61 -0.33 -0.55 8.50 8.14 3k9yA1 CYS 380 HA -0.21 0.01 0.66 -0.75 4.58 4.29 3k9yA1 CYS 380 HB2 -0.04 0.09 0.39 -0.04 2.97 3.36 3k9yA1 CYS 380 HB3 0.10 -0.03 0.01 -0.04 2.97 3.00 3k9yA1 LEU 381 H 0.04 0.47 -0.03 -0.55 8.37 8.31 3k9yA1 LEU 381 HA 0.09 0.03 0.31 -0.75 4.35 4.03 3k9yA1 LEU 381 HB2 0.17 0.09 0.06 -0.04 1.64 1.92 3k9yA1 LEU 381 HB3 0.10 0.08 -0.02 -0.04 1.64 1.76 3k9yA1 LEU 381 HG 0.08 0.02 -0.01 -0.04 1.64 1.70 3k9yA1 LEU 381 HD13 -0.10 0.01 -0.12 -0.04 0.93 0.67 3k9yA1 LEU 381 HD23 0.06 -0.03 -0.04 -0.04 0.89 0.84 3k9yA1 LYS 382 H -0.17 0.14 -0.51 -0.55 8.42 7.33 3k9yA1 LYS 382 HA -0.25 0.03 0.35 -0.75 4.32 3.70 3k9yA1 LYS 382 HB2 -0.98 0.04 0.18 -0.04 1.87 1.07 3k9yA1 LYS 382 HB3 -1.62 0.00 0.06 -0.04 1.79 0.19 3k9yA1 LYS 382 HG2 -0.28 -0.05 0.04 -0.04 1.46 1.12 3k9yA1 LYS 382 HG3 -0.24 0.38 0.30 -0.04 1.46 1.87 3k9yA1 LYS 382 HD2 -0.15 0.00 -0.04 -0.04 1.69 1.45 3k9yA1 LYS 382 HD3 -0.35 0.02 0.07 -0.04 1.68 1.37 3k9yA1 LYS 382 HE2 -1.46 -0.03 0.00 -0.04 2.99 1.46 3k9yA1 LYS 382 HE3 -0.34 -0.04 -0.01 -0.04 2.99 2.57 3k9yA1 GLU 383 H -0.81 0.29 -0.03 -0.55 8.60 7.50 3k9yA1 GLU 383 HA 0.13 -0.02 0.24 -0.75 4.29 3.89 3k9yA1 GLU 383 HB2 0.39 0.02 0.02 -0.04 2.09 2.47 3k9yA1 GLU 383 HB3 -0.18 0.15 0.01 -0.04 1.99 1.94 3k9yA1 GLU 383 HG2 -0.50 -0.15 -0.21 -0.04 2.34 1.44 3k9yA1 GLU 383 HG3 0.23 0.06 -0.19 -0.04 2.34 2.39 3k9yA1 SER 384 H 0.16 0.41 -0.88 -0.55 8.46 7.60 3k9yA1 SER 384 HA 0.26 -0.03 0.38 -0.75 4.49 4.34 3k9yA1 SER 384 HB2 0.24 0.15 0.04 -0.04 3.95 4.34 3k9yA1 SER 384 HB3 0.12 0.11 0.08 -0.04 3.93 4.20 3k9yA1 MET 385 H 0.04 0.91 0.15 -0.55 8.47 9.02 3k9yA1 MET 385 HA -0.04 0.05 0.28 -0.75 4.52 4.05 3k9yA1 MET 385 HB2 0.10 0.06 0.09 -0.04 2.15 2.36 3k9yA1 MET 385 HB3 -0.05 -0.15 0.02 -0.04 2.03 1.80 3k9yA1 MET 385 HG2 0.01 -0.05 0.04 -0.04 2.63 2.59 3k9yA1 MET 385 HG3 0.04 0.32 0.12 -0.04 2.56 3.00 3k9yA1 MET 385 HE3 0.04 -0.01 -0.05 -0.04 2.10 2.03 3k9yA1 ARG 386 H 0.08 0.27 -0.55 -0.55 8.46 7.71 3k9yA1 ARG 386 HA 0.10 0.07 0.53 -0.75 4.34 4.29 3k9yA1 ARG 386 HB2 0.18 -0.11 -0.10 -0.04 1.90 1.83 3k9yA1 ARG 386 HB3 0.11 0.09 -0.04 -0.04 1.80 1.92 3k9yA1 ARG 386 HG2 -0.10 -0.02 0.16 -0.04 1.67 1.67 3k9yA1 ARG 386 HG3 0.12 -0.04 0.01 -0.04 1.67 1.72 3k9yA1 ARG 386 HD2 -1.67 0.15 0.06 -0.04 3.22 1.72 3k9yA1 ARG 386 HD3 -0.36 -0.10 -0.04 -0.04 3.22 2.68 3k9yA1 LEU 387 H 0.04 0.30 -0.38 -0.55 8.37 7.79 3k9yA1 LEU 387 HA -0.02 0.12 0.73 -0.75 4.35 4.43 3k9yA1 LEU 387 HB2 0.14 0.06 0.00 -0.04 1.64 1.80 3k9yA1 LEU 387 HB3 0.09 0.05 0.02 -0.04 1.64 1.76 3k9yA1 LEU 387 HG 0.05 -0.05 -0.04 -0.04 1.64 1.56 3k9yA1 LEU 387 HD13 0.06 -0.01 -0.04 -0.04 0.93 0.90 3k9yA1 LEU 387 HD23 0.16 -0.03 -0.15 -0.04 0.89 0.83 3k9yA1 THR 388 H -0.09 0.37 -0.20 -0.55 8.28 7.81 3k9yA1 THR 388 HA -0.43 0.08 0.56 -0.75 4.39 3.84 3k9yA1 THR 388 HB -1.13 -0.07 0.00 -0.04 4.32 3.08 3k9yA1 THR 388 HG23 -0.04 -0.03 -0.29 -0.04 1.22 0.83 3k9yA1 PRO 389 HA -0.23 -0.02 0.54 -0.51 4.44 4.22 3k9yA1 PRO 389 HB2 -0.25 0.06 -0.19 -0.04 2.28 1.86 3k9yA1 PRO 389 HB3 -0.18 0.23 0.09 -0.04 2.02 2.12 3k9yA1 PRO 389 HG2 -0.34 -0.10 -0.11 -0.04 2.03 1.44 3k9yA1 PRO 389 HG3 -0.20 -0.02 -0.08 -0.04 2.03 1.69 3k9yA1 PRO 389 HD2 -0.32 0.08 -0.16 -0.04 3.68 3.24 3k9yA1 PRO 389 HD3 -0.18 0.21 -0.36 -0.04 3.65 3.27 3k9yA1 SER 390 H -0.21 0.13 0.19 -0.55 8.46 8.03 3k9yA1 SER 390 HA -0.14 0.19 0.40 -0.75 4.49 4.19 3k9yA1 SER 390 HB2 -0.12 -0.03 0.16 -0.04 3.95 3.93 3k9yA1 SER 390 HB3 -0.10 -0.03 -0.04 -0.04 3.93 3.73 3k9yA1 VAL 391 H -0.24 0.12 -0.16 -0.55 8.24 7.41 3k9yA1 VAL 391 HA -0.27 0.19 0.94 -0.75 4.13 4.23 3k9yA1 VAL 391 HB -0.19 0.10 0.11 -0.04 2.12 2.10 3k9yA1 VAL 391 HG13 -0.10 -0.02 -0.20 -0.04 0.97 0.61 3k9yA1 VAL 391 HG23 -0.11 -0.01 -0.12 -0.04 0.95 0.67 3k9yA1 PRO 392 HA -0.28 0.13 0.43 -0.51 4.44 4.20 3k9yA1 PRO 392 HB2 -1.24 -0.01 -0.01 -0.04 2.28 0.97 3k9yA1 PRO 392 HB3 -0.41 0.01 0.02 -0.04 2.02 1.60 3k9yA1 PRO 392 HG2 -1.11 -0.04 0.02 -0.04 2.03 0.86 3k9yA1 PRO 392 HG3 -0.64 0.10 -0.03 -0.04 2.03 1.42 3k9yA1 PRO 392 HD2 -0.66 0.09 0.22 -0.04 3.68 3.28 3k9yA1 PRO 392 HD3 -0.54 0.24 0.30 -0.04 3.65 3.61 3k9yA1 PHE 393 H -0.55 0.27 0.07 -0.55 8.34 7.58 3k9yA1 PHE 393 HA 0.00 0.09 0.80 -0.75 4.62 4.76 3k9yA1 PHE 393 HB2 0.03 0.14 -0.17 -0.04 3.15 3.11 3k9yA1 PHE 393 HB3 0.04 -0.10 -0.08 -0.04 3.06 2.89 3k9yA1 PHE 393 HD2 0.11 0.04 -0.20 -0.04 7.28 7.18 3k9yA1 PHE 393 HE2 0.21 -0.01 -0.11 -0.04 7.38 7.43 3k9yA1 PHE 393 HZ 0.20 -0.03 -0.09 -0.04 7.32 7.36 3k9yA1 THR 394 H 0.18 0.31 0.29 -0.55 8.28 8.50 3k9yA1 THR 394 HA 0.16 0.19 0.83 -0.75 4.39 4.82 3k9yA1 THR 394 HB 0.08 0.04 -0.03 -0.04 4.32 4.37 3k9yA1 THR 394 HG23 0.08 -0.01 -0.12 -0.04 1.22 1.13 3k9yA1 THR 395 H 0.06 0.23 0.23 -0.55 8.28 8.25 3k9yA1 THR 395 HA -0.02 0.21 1.22 -0.75 4.39 5.05 3k9yA1 THR 395 HB 0.01 -0.02 -0.07 -0.04 4.32 4.19 3k9yA1 THR 395 HG23 0.02 0.05 0.03 -0.04 1.22 1.27 3k9yA1 ARG 396 H -0.03 0.73 0.44 -0.55 8.46 9.05 3k9yA1 ARG 396 HA -0.02 0.32 0.95 -0.75 4.34 4.83 3k9yA1 ARG 396 HB2 -0.01 -0.07 -0.02 -0.04 1.90 1.75 3k9yA1 ARG 396 HB3 -0.02 0.03 -0.03 -0.04 1.80 1.74 3k9yA1 ARG 396 HG2 0.02 -0.04 -0.35 -0.04 1.67 1.26 3k9yA1 ARG 396 HG3 0.01 -0.02 -0.12 -0.04 1.67 1.51 3k9yA1 ARG 396 HD2 -0.03 -0.09 0.08 -0.04 3.22 3.14 3k9yA1 ARG 396 HD3 -0.03 0.20 0.02 -0.04 3.22 3.38 3k9yA1 THR 397 H -0.04 0.39 0.34 -0.55 8.28 8.42 3k9yA1 THR 397 HA -0.04 0.27 0.93 -0.75 4.39 4.80 3k9yA1 THR 397 HB -0.04 0.12 -0.06 -0.04 4.32 4.30 3k9yA1 THR 397 HG23 -0.03 -0.01 -0.25 -0.04 1.22 0.89 3k9yA1 LEU 398 H -0.04 0.40 0.16 -0.55 8.37 8.35 3k9yA1 LEU 398 HA -0.03 0.16 0.62 -0.75 4.35 4.34 3k9yA1 LEU 398 HB2 -0.03 -0.43 0.11 -0.04 1.64 1.25 3k9yA1 LEU 398 HB3 -0.03 0.21 0.11 -0.04 1.64 1.89 3k9yA1 LEU 398 HG -0.04 0.15 0.01 -0.04 1.64 1.72 3k9yA1 LEU 398 HD13 -0.03 -0.03 -0.04 -0.04 0.93 0.78 3k9yA1 LEU 398 HD23 -0.03 0.04 -0.07 -0.04 0.89 0.79 3k9yA1 ASP 399 H -0.03 0.27 0.10 -0.55 8.40 8.20 3k9yA1 ASP 399 HA -0.02 0.16 0.71 -0.75 4.63 4.72 3k9yA1 ASP 399 HB2 -0.01 -0.01 0.18 -0.04 2.71 2.83 3k9yA1 ASP 399 HB3 -0.02 0.08 -0.10 -0.04 2.70 2.62 3k9yA1 LYS 400 H -0.02 0.02 -0.13 -0.55 8.42 7.73 3k9yA1 LYS 400 HA -0.02 0.09 0.38 -0.75 4.32 4.03 3k9yA1 LYS 400 HB2 -0.02 0.06 0.11 -0.04 1.87 1.97 3k9yA1 LYS 400 HB3 -0.02 0.22 0.24 -0.04 1.79 2.19 3k9yA1 LYS 400 HG2 -0.03 -0.26 -0.16 -0.04 1.46 0.97 3k9yA1 LYS 400 HG3 -0.02 0.13 -0.10 -0.04 1.46 1.42 3k9yA1 LYS 400 HD2 -0.03 0.01 -0.01 -0.04 1.69 1.63 3k9yA1 LYS 400 HD3 -0.03 -0.04 -0.04 -0.04 1.68 1.52 3k9yA1 LYS 400 HE2 -0.03 0.01 -0.03 -0.04 2.99 2.90 3k9yA1 LYS 400 HE3 -0.04 -0.02 -0.06 -0.04 2.99 2.84 3k9yA1 PRO 401 HA -0.02 0.00 0.62 -0.51 4.44 4.54 3k9yA1 PRO 401 HB2 -0.01 0.06 -0.03 -0.04 2.28 2.26 3k9yA1 PRO 401 HB3 -0.01 -0.00 0.03 -0.04 2.02 2.00 3k9yA1 PRO 401 HG2 -0.01 0.04 0.04 -0.04 2.03 2.06 3k9yA1 PRO 401 HG3 -0.01 0.04 0.03 -0.04 2.03 2.04 3k9yA1 PRO 401 HD2 -0.01 0.10 0.17 -0.04 3.68 3.89 3k9yA1 PRO 401 HD3 -0.01 0.14 0.13 -0.04 3.65 3.86 3k9yA1 THR 402 H -0.01 0.23 0.42 -0.55 8.28 8.37 3k9yA1 THR 402 HA -0.01 0.22 0.87 -0.75 4.39 4.71 3k9yA1 THR 402 HB -0.02 0.15 -0.03 -0.04 4.32 4.38 3k9yA1 THR 402 HG23 -0.02 -0.04 -0.03 -0.04 1.22 1.09 3k9yA1 VAL 403 H -0.00 0.19 0.18 -0.55 8.24 8.06 3k9yA1 VAL 403 HA 0.02 0.13 1.10 -0.75 4.13 4.63 3k9yA1 VAL 403 HB 0.02 0.10 -0.01 -0.04 2.12 2.19 3k9yA1 VAL 403 HG13 0.01 -0.00 -0.06 -0.04 0.97 0.87 3k9yA1 VAL 403 HG23 -0.00 -0.01 0.14 -0.04 0.95 1.03 3k9yA1 LEU 404 H 0.05 0.52 0.12 -0.55 8.37 8.51 3k9yA1 LEU 404 HA 0.03 0.08 0.76 -0.75 4.35 4.46 3k9yA1 LEU 404 HB2 0.00 -0.08 -0.14 -0.04 1.64 1.38 3k9yA1 LEU 404 HB3 0.00 -0.05 -0.12 -0.04 1.64 1.44 3k9yA1 LEU 404 HG -0.01 -0.09 -0.10 -0.04 1.64 1.41 3k9yA1 LEU 404 HD13 0.00 0.09 0.18 -0.04 0.93 1.16 3k9yA1 LEU 404 HD23 -0.01 0.05 -0.40 -0.04 0.89 0.50 3k9yA1 GLY 405 H 0.05 0.05 0.12 -0.55 8.43 8.10 3k9yA1 GLY 405 HA2 0.10 0.01 0.32 -0.51 4.01 3.93 3k9yA1 GLY 405 HA3 0.15 0.12 0.47 -0.51 4.01 4.24 3k9yA1 GLU 406 H 0.33 0.18 0.12 -0.55 8.60 8.69 3k9yA1 GLU 406 HA 0.04 0.08 0.51 -0.75 4.29 4.17 3k9yA1 GLU 406 HB2 -0.06 0.04 0.07 -0.04 2.09 2.09 3k9yA1 GLU 406 HB3 -0.07 0.02 0.17 -0.04 1.99 2.06 3k9yA1 GLU 406 HG2 0.09 -0.09 0.03 -0.04 2.34 2.33 3k9yA1 GLU 406 HG3 0.03 0.02 0.04 -0.04 2.34 2.39 3k9yA1 TYR 407 H 0.36 0.06 -0.93 -0.55 8.29 7.23 3k9yA1 TYR 407 HA -0.01 0.25 0.86 -0.75 4.56 4.91 3k9yA1 TYR 407 HB2 -0.01 0.13 -0.03 -0.04 3.06 3.11 3k9yA1 TYR 407 HB3 -0.01 -0.05 0.08 -0.04 2.98 2.95 3k9yA1 TYR 407 HD2 -0.00 -0.13 -0.10 -0.04 7.15 6.87 3k9yA1 TYR 407 HE2 -0.00 -0.26 -0.17 -0.04 6.85 6.37 3k9yA1 ALA 408 H 0.14 0.35 0.20 -0.55 8.40 8.54 3k9yA1 ALA 408 HA 0.04 0.06 1.00 -0.75 4.34 4.68 3k9yA1 ALA 408 HB3 0.02 0.01 -0.06 -0.04 1.41 1.34 3k9yA1 LEU 409 H 0.01 0.95 0.42 -0.55 8.37 9.21 3k9yA1 LEU 409 HA 0.00 0.26 0.91 -0.75 4.35 4.77 3k9yA1 LEU 409 HB2 -0.02 -0.02 0.16 -0.04 1.64 1.71 3k9yA1 LEU 409 HB3 -0.03 -0.10 -0.01 -0.04 1.64 1.46 3k9yA1 LEU 409 HG -0.04 0.06 -0.07 -0.04 1.64 1.55 3k9yA1 LEU 409 HD13 -0.00 -0.02 -0.26 -0.04 0.93 0.61 3k9yA1 LEU 409 HD23 -0.05 -0.01 -0.12 -0.04 0.89 0.68 3k9yA1 PRO 410 HA -0.01 0.08 0.32 -0.51 4.44 4.32 3k9yA1 PRO 410 HB2 -0.03 0.00 0.00 -0.04 2.28 2.21 3k9yA1 PRO 410 HB3 -0.02 0.04 0.16 -0.04 2.02 2.15 3k9yA1 PRO 410 HG2 -0.02 0.02 0.09 -0.04 2.03 2.08 3k9yA1 PRO 410 HG3 -0.01 0.07 0.12 -0.04 2.03 2.18 3k9yA1 PRO 410 HD2 -0.03 0.04 0.19 -0.04 3.68 3.85 3k9yA1 PRO 410 HD3 0.00 0.41 0.45 -0.04 3.65 4.47 3k9yA1 LYS 411 H -0.02 0.24 -0.49 -0.55 8.42 7.59 3k9yA1 LYS 411 HA -0.02 -0.14 0.06 -0.75 4.32 3.46 3k9yA1 LYS 411 HB2 -0.02 -0.03 -0.04 -0.04 1.87 1.73 3k9yA1 LYS 411 HB3 -0.02 0.13 -0.42 -0.04 1.79 1.45 3k9yA1 LYS 411 HG2 -0.02 0.00 -0.10 -0.04 1.46 1.31 3k9yA1 LYS 411 HG3 -0.02 0.08 -0.23 -0.04 1.46 1.25 3k9yA1 LYS 411 HD2 -0.02 -0.17 -0.35 -0.04 1.69 1.11 3k9yA1 LYS 411 HD3 -0.02 0.04 -0.60 -0.04 1.68 1.06 3k9yA1 LYS 411 HE2 -0.02 0.04 -0.24 -0.04 2.99 2.73 3k9yA1 LYS 411 HE3 -0.02 -0.01 -0.08 -0.04 2.99 2.83 3k9yA1 GLY 412 H -0.03 0.01 -0.20 -0.55 8.43 7.67 3k9yA1 GLY 412 HA2 -0.03 0.30 0.37 -0.51 4.01 4.14 3k9yA1 GLY 412 HA3 -0.03 0.12 0.59 -0.51 4.01 4.18 3k9yA1 THR 413 H -0.05 -0.11 -0.26 -0.55 8.28 7.31 3k9yA1 THR 413 HA -0.08 0.19 0.53 -0.75 4.39 4.27 3k9yA1 THR 413 HB -0.06 -0.06 -0.11 -0.04 4.32 4.05 3k9yA1 THR 413 HG23 -0.10 0.05 -0.05 -0.04 1.22 1.08 3k9yA1 VAL 414 H -0.14 0.19 0.21 -0.55 8.24 7.95 3k9yA1 VAL 414 HA -0.07 0.21 0.78 -0.75 4.13 4.29 3k9yA1 VAL 414 HB -0.26 0.04 0.30 -0.04 2.12 2.17 3k9yA1 VAL 414 HG13 0.01 -0.01 -0.10 -0.04 0.97 0.83 3k9yA1 VAL 414 HG23 -0.18 0.00 0.09 -0.04 0.95 0.82 3k9yA1 LEU 415 H -0.06 0.97 0.46 -0.55 8.37 9.20 3k9yA1 LEU 415 HA -0.11 0.32 1.06 -0.75 4.35 4.86 3k9yA1 LEU 415 HB2 -0.04 -0.08 0.08 -0.04 1.64 1.55 3k9yA1 LEU 415 HB3 -0.05 -0.01 -0.05 -0.04 1.64 1.49 3k9yA1 LEU 415 HG -0.06 0.01 -0.31 -0.04 1.64 1.24 3k9yA1 LEU 415 HD13 -0.03 -0.01 -0.15 -0.04 0.93 0.70 3k9yA1 LEU 415 HD23 -0.06 0.02 -0.11 -0.04 0.89 0.69 3k9yA1 THR 416 H -0.23 0.51 0.18 -0.55 8.28 8.20 3k9yA1 THR 416 HA -0.16 0.21 0.98 -0.75 4.39 4.66 3k9yA1 THR 416 HB -0.56 0.03 -0.07 -0.04 4.32 3.69 3k9yA1 THR 416 HG23 -0.29 0.01 -0.22 -0.04 1.22 0.67 3k9yA1 LEU 417 H -0.01 0.39 0.10 -0.55 8.37 8.31 3k9yA1 LEU 417 HA 0.03 0.10 0.57 -0.75 4.35 4.30 3k9yA1 LEU 417 HB2 0.08 -0.12 0.21 -0.04 1.64 1.76 3k9yA1 LEU 417 HB3 0.06 0.04 0.00 -0.04 1.64 1.71 3k9yA1 LEU 417 HG 0.02 0.02 -0.17 -0.04 1.64 1.47 3k9yA1 LEU 417 HD13 0.07 -0.00 -0.12 -0.04 0.93 0.84 3k9yA1 LEU 417 HD23 0.01 -0.00 -0.17 -0.04 0.89 0.69 3k9yA1 ASN 418 H 0.08 0.61 0.31 -0.55 8.53 8.98 3k9yA1 ASN 418 HA 0.30 0.03 0.44 -0.75 4.76 4.78 3k9yA1 ASN 418 HB2 0.23 0.03 0.03 -0.04 2.88 3.13 3k9yA1 ASN 418 HB3 -0.09 0.05 0.17 -0.04 2.79 2.88 3k9yA1 ASN 418 HD21 0.35 0.01 -0.15 -0.04 7.03 7.20 3k9yA1 ASN 418 HD22 0.52 0.04 -0.14 -0.04 7.74 8.12 3k9yA1 THR 419 H 0.12 0.53 0.10 -0.55 8.28 8.49 3k9yA1 THR 419 HA 0.07 -0.04 0.17 -0.75 4.39 3.83 3k9yA1 THR 419 HB 0.05 -0.10 0.06 -0.04 4.32 4.28 3k9yA1 THR 419 HG23 0.07 0.02 0.09 -0.04 1.22 1.36 3k9yA1 GLN 420 H 0.04 0.19 -0.45 -0.55 8.47 7.71 3k9yA1 GLN 420 HA -0.05 0.13 0.48 -0.75 4.36 4.17 3k9yA1 GLN 420 HB2 -0.11 0.00 0.16 -0.04 2.15 2.16 3k9yA1 GLN 420 HB3 0.02 -0.19 0.15 -0.04 2.02 1.96 3k9yA1 GLN 420 HG2 -0.03 0.01 -0.25 -0.04 2.40 2.09 3k9yA1 GLN 420 HG3 -0.12 0.10 -0.07 -0.04 2.39 2.25 3k9yA1 GLN 420 HE21 -0.26 -0.09 -0.11 -0.04 6.97 6.46 3k9yA1 GLN 420 HE22 -0.27 0.10 -0.10 -0.04 7.69 7.38 3k9yA1 VAL 421 H 0.04 0.09 0.03 -0.55 8.24 7.85 3k9yA1 VAL 421 HA 0.04 0.00 0.29 -0.75 4.13 3.71 3k9yA1 VAL 421 HB 0.01 -0.04 0.09 -0.04 2.12 2.15 3k9yA1 VAL 421 HG13 -0.14 0.08 -0.06 -0.04 0.97 0.81 3k9yA1 VAL 421 HG23 0.02 0.01 -0.10 -0.04 0.95 0.84 3k9yA1 LEU 422 H 0.06 0.16 -0.92 -0.55 8.37 7.12 3k9yA1 LEU 422 HA 0.13 -0.11 0.34 -0.75 4.35 3.97 3k9yA1 LEU 422 HB2 0.14 0.30 0.06 -0.04 1.64 2.10 3k9yA1 LEU 422 HB3 0.20 -0.02 0.11 -0.04 1.64 1.89 3k9yA1 LEU 422 HG 0.07 0.08 -0.21 -0.04 1.64 1.54 3k9yA1 LEU 422 HD13 0.12 -0.01 -0.25 -0.04 0.93 0.74 3k9yA1 LEU 422 HD23 0.09 -0.05 -0.31 -0.04 0.89 0.58 3k9yA1 GLY 423 H 0.09 0.89 -0.10 -0.55 8.43 8.77 3k9yA1 GLY 423 HA2 0.01 0.00 0.39 -0.51 4.01 3.91 3k9yA1 GLY 423 HA3 -0.02 0.18 0.32 -0.51 4.01 3.97 3k9yA1 SER 424 H 0.11 0.49 -0.26 -0.55 8.46 8.25 3k9yA1 SER 424 HA 0.11 0.13 0.76 -0.75 4.49 4.74 3k9yA1 SER 424 HB2 0.08 -0.11 0.14 -0.04 3.95 4.02 3k9yA1 SER 424 HB3 0.06 0.02 -0.02 -0.04 3.93 3.94 3k9yA1 SER 425 H 0.29 0.48 -0.32 -0.55 8.46 8.37 3k9yA1 SER 425 HA 0.11 0.03 0.36 -0.75 4.49 4.24 3k9yA1 SER 425 HB2 0.15 0.11 0.19 -0.04 3.95 4.36 3k9yA1 SER 425 HB3 0.15 0.03 0.22 -0.04 3.93 4.29 3k9yA1 GLU 426 H 0.09 0.30 0.43 -0.55 8.60 8.87 3k9yA1 GLU 426 HA 0.09 0.19 0.52 -0.75 4.29 4.34 3k9yA1 GLU 426 HB2 0.07 0.12 0.31 -0.04 2.09 2.55 3k9yA1 GLU 426 HB3 0.05 -0.02 0.32 -0.04 1.99 2.30 3k9yA1 GLU 426 HG2 0.06 -0.03 0.13 -0.04 2.34 2.46 3k9yA1 GLU 426 HG3 0.05 -0.03 0.04 -0.04 2.34 2.35 3k9yA1 ASP 427 H -0.01 -0.30 0.54 -0.55 8.40 8.09 3k9yA1 ASP 427 HA -0.02 0.02 0.34 -0.75 4.63 4.23 3k9yA1 ASP 427 HB2 0.01 0.27 0.14 -0.04 2.71 3.08 3k9yA1 ASP 427 HB3 -0.01 -0.03 -0.30 -0.04 2.70 2.32 3k9yA1 ASN 428 H -0.10 0.32 0.49 -0.55 8.53 8.70 3k9yA1 ASN 428 HA -0.27 0.10 0.90 -0.75 4.76 4.73 3k9yA1 ASN 428 HB2 -0.25 0.04 0.09 -0.04 2.88 2.72 3k9yA1 ASN 428 HB3 -1.03 0.11 0.00 -0.04 2.79 1.83 3k9yA1 ASN 428 HD21 -0.07 -0.12 0.04 -0.04 7.03 6.85 3k9yA1 ASN 428 HD22 -0.08 0.05 -0.01 -0.04 7.74 7.66 3k9yA1 PHE 429 H -0.03 0.07 0.24 -0.55 8.34 8.07 3k9yA1 PHE 429 HA -0.11 0.17 0.85 -0.75 4.62 4.77 3k9yA1 PHE 429 HB2 0.01 -0.04 -0.08 -0.04 3.15 3.00 3k9yA1 PHE 429 HB3 -0.03 0.09 -0.12 -0.04 3.06 2.96 3k9yA1 PHE 429 HD2 -0.12 -0.07 -0.12 -0.04 7.28 6.93 3k9yA1 PHE 429 HE2 -0.26 0.12 -0.07 -0.04 7.38 7.13 3k9yA1 PHE 429 HZ 0.31 -0.07 -0.23 -0.04 7.32 7.29 3k9yA1 GLU 430 H 0.03 0.21 0.01 -0.55 8.60 8.30 3k9yA1 GLU 430 HA 0.05 0.03 0.59 -0.75 4.29 4.20 3k9yA1 GLU 430 HB2 -0.01 0.00 0.02 -0.04 2.09 2.06 3k9yA1 GLU 430 HB3 -0.00 0.04 0.07 -0.04 1.99 2.05 3k9yA1 GLU 430 HG2 -0.00 0.01 -0.04 -0.04 2.34 2.27 3k9yA1 GLU 430 HG3 0.02 0.01 -0.10 -0.04 2.34 2.23 3k9yA1 ASP 431 H 0.08 0.11 0.13 -0.55 8.40 8.17 3k9yA1 ASP 431 HA 0.09 -0.02 0.30 -0.75 4.63 4.25 3k9yA1 ASP 431 HB2 -0.04 0.25 0.15 -0.04 2.71 3.04 3k9yA1 ASP 431 HB3 -0.15 0.01 0.03 -0.04 2.70 2.55 3k9yA1 SER 432 H 0.16 0.08 -0.04 -0.55 8.46 8.11 3k9yA1 SER 432 HA 0.04 0.14 0.26 -0.75 4.49 4.19 3k9yA1 SER 432 HB2 0.07 0.09 0.03 -0.04 3.95 4.10 3k9yA1 SER 432 HB3 0.15 0.06 0.06 -0.04 3.93 4.17 3k9yA1 HIS 433 H 0.43 -0.03 -0.29 -0.55 8.41 7.97 3k9yA1 HIS 433 HA 0.03 0.18 0.46 -0.75 4.63 4.54 3k9yA1 HIS 433 HB2 0.03 0.03 0.14 -0.04 3.26 3.42 3k9yA1 HIS 433 HB3 0.03 -0.02 0.06 -0.04 3.20 3.23 3k9yA1 HIS 433 HD2 0.03 0.02 0.07 -0.04 6.97 7.04 3k9yA1 HIS 433 HE1 0.03 -0.04 0.01 -0.04 7.75 7.70 3k9yA1 LYS 434 H -0.00 0.67 -0.50 -0.55 8.42 8.04 3k9yA1 LYS 434 HA -0.01 0.04 0.64 -0.75 4.32 4.24 3k9yA1 LYS 434 HB2 -0.08 0.26 -0.01 -0.04 1.87 2.00 3k9yA1 LYS 434 HB3 -0.05 -0.06 -0.09 -0.04 1.79 1.55 3k9yA1 LYS 434 HG2 -0.59 -0.14 -0.80 -0.04 1.46 -0.11 3k9yA1 LYS 434 HG3 -0.22 -0.09 -0.11 -0.04 1.46 1.00 3k9yA1 LYS 434 HD2 -0.08 -0.06 0.03 -0.04 1.69 1.53 3k9yA1 LYS 434 HD3 -0.16 0.21 0.19 -0.04 1.68 1.88 3k9yA1 LYS 434 HE2 -0.43 -0.01 -0.02 -0.04 2.99 2.48 3k9yA1 LYS 434 HE3 -0.15 -0.07 -0.02 -0.04 2.99 2.70 3k9yA1 PHE 435 H 0.18 0.15 0.07 -0.55 8.34 8.19 3k9yA1 PHE 435 HA 0.03 0.14 0.57 -0.75 4.62 4.60 3k9yA1 PHE 435 HB2 0.02 0.04 0.06 -0.04 3.15 3.24 3k9yA1 PHE 435 HB3 0.02 -0.04 0.19 -0.04 3.06 3.19 3k9yA1 PHE 435 HD2 0.04 0.01 -0.09 -0.04 7.28 7.19 3k9yA1 PHE 435 HE2 0.03 -0.00 -0.23 -0.04 7.38 7.14 3k9yA1 PHE 435 HZ -0.00 0.04 -0.06 -0.04 7.32 7.26 3k9yA1 ARG 436 H -0.12 0.30 0.07 -0.55 8.46 8.16 3k9yA1 ARG 436 HA -0.13 0.20 0.91 -0.75 4.34 4.57 3k9yA1 ARG 436 HB2 -0.07 0.15 0.14 -0.04 1.90 2.08 3k9yA1 ARG 436 HB3 -0.06 -0.23 0.19 -0.04 1.80 1.66 3k9yA1 ARG 436 HG2 -0.02 0.11 -0.21 -0.04 1.67 1.51 3k9yA1 ARG 436 HG3 -0.03 0.12 -0.21 -0.04 1.67 1.51 3k9yA1 ARG 436 HD2 -0.02 -0.08 0.02 -0.04 3.22 3.09 3k9yA1 ARG 436 HD3 -0.02 0.01 -0.03 -0.04 3.22 3.14 3k9yA1 PRO 437 HA -0.12 0.14 0.35 -0.51 4.44 4.30 3k9yA1 PRO 437 HB2 -1.00 -0.04 -0.05 -0.04 2.28 1.15 3k9yA1 PRO 437 HB3 -0.70 0.16 -0.04 -0.04 2.02 1.40 3k9yA1 PRO 437 HG2 -0.50 0.06 -0.00 -0.04 2.03 1.54 3k9yA1 PRO 437 HG3 -1.30 0.08 0.03 -0.04 2.03 0.80 3k9yA1 PRO 437 HD2 -0.23 0.06 0.06 -0.04 3.68 3.53 3k9yA1 PRO 437 HD3 -1.02 0.17 -0.40 -0.04 3.65 2.36 3k9yA1 GLU 438 H -0.03 -0.03 -0.95 -0.55 8.60 7.05 3k9yA1 GLU 438 HA 0.10 0.13 0.49 -0.75 4.29 4.26 3k9yA1 GLU 438 HB2 0.00 0.01 0.06 -0.04 2.09 2.13 3k9yA1 GLU 438 HB3 0.04 -0.05 -0.00 -0.04 1.99 1.95 3k9yA1 GLU 438 HG2 0.08 0.01 -0.02 -0.04 2.34 2.37 3k9yA1 GLU 438 HG3 0.27 0.03 -0.09 -0.04 2.34 2.51 3k9yA1 ARG 439 H -0.12 0.30 0.11 -0.55 8.46 8.20 3k9yA1 ARG 439 HA -0.17 -0.03 0.38 -0.75 4.34 3.78 3k9yA1 ARG 439 HB2 -0.45 0.01 0.08 -0.04 1.90 1.50 3k9yA1 ARG 439 HB3 -0.22 -0.02 0.17 -0.04 1.80 1.69 3k9yA1 ARG 439 HG2 -0.29 0.27 0.13 -0.04 1.67 1.74 3k9yA1 ARG 439 HG3 -1.45 -0.01 -0.13 -0.04 1.67 0.04 3k9yA1 ARG 439 HD2 -0.25 0.02 -0.01 -0.04 3.22 2.94 3k9yA1 ARG 439 HD3 -0.58 -0.00 -0.03 -0.04 3.22 2.56 3k9yA1 TRP 440 H -0.01 0.16 -0.87 -0.55 7.97 6.70 3k9yA1 TRP 440 HA -0.02 0.13 0.62 -0.75 4.62 4.60 3k9yA1 TRP 440 HB2 -0.08 0.13 0.06 -0.04 3.23 3.31 3k9yA1 TRP 440 HB3 -0.05 -0.03 0.17 -0.04 3.23 3.27 3k9yA1 TRP 440 HD1 -0.17 0.17 -0.05 -0.04 7.22 7.14 3k9yA1 TRP 440 HE1 -0.16 -0.00 -0.02 -0.04 10.20 9.98 3k9yA1 TRP 440 HE3 -0.04 0.05 -0.01 -0.04 7.59 7.54 3k9yA1 TRP 440 HZ2 -0.25 0.05 -0.09 -0.04 7.44 7.11 3k9yA1 TRP 440 HZ3 0.01 0.00 -0.08 -0.04 7.13 7.02 3k9yA1 TRP 440 HH2 0.07 0.01 -0.12 -0.04 7.19 7.11 3k9yA1 LEU 441 H 0.04 0.65 -0.12 -0.55 8.37 8.39 3k9yA1 LEU 441 HA 0.09 0.22 1.04 -0.75 4.35 4.94 3k9yA1 LEU 441 HB2 0.09 -0.03 0.19 -0.04 1.64 1.84 3k9yA1 LEU 441 HB3 0.08 -0.10 -0.03 -0.04 1.64 1.54 3k9yA1 LEU 441 HG 0.12 0.11 -0.17 -0.04 1.64 1.66 3k9yA1 LEU 441 HD13 0.19 -0.05 -0.21 -0.04 0.93 0.82 3k9yA1 LEU 441 HD23 0.09 0.18 0.03 -0.04 0.89 1.14 3k9yA1 GLN 442 H 0.02 0.19 0.07 -0.55 8.47 8.20 3k9yA1 GLN 442 HA 0.01 0.01 0.37 -0.75 4.36 4.00 3k9yA1 GLN 442 HB2 -0.01 -0.02 0.03 -0.04 2.15 2.11 3k9yA1 GLN 442 HB3 0.00 0.02 0.08 -0.04 2.02 2.08 3k9yA1 GLN 442 HG2 -0.02 -0.01 -0.05 -0.04 2.40 2.28 3k9yA1 GLN 442 HG3 -0.03 0.04 0.05 -0.04 2.39 2.41 3k9yA1 GLN 442 HE21 -0.05 0.02 -0.01 -0.04 6.97 6.88 3k9yA1 GLN 442 HE22 -0.04 -0.01 -0.03 -0.04 7.69 7.57 3k9yA1 LYS 443 H 0.01 0.14 0.26 -0.55 8.42 8.27 3k9yA1 LYS 443 HA 0.00 0.13 0.42 -0.75 4.32 4.11 3k9yA1 LYS 443 HB2 0.01 0.07 0.22 -0.04 1.87 2.13 3k9yA1 LYS 443 HB3 0.01 -0.06 0.26 -0.04 1.79 1.95 3k9yA1 LYS 443 HG2 0.01 -0.06 0.08 -0.04 1.46 1.45 3k9yA1 LYS 443 HG3 0.01 0.02 0.03 -0.04 1.46 1.48 3k9yA1 LYS 443 HD2 0.02 -0.01 -0.01 -0.04 1.69 1.65 3k9yA1 LYS 443 HD3 0.02 0.10 -0.02 -0.04 1.68 1.74 3k9yA1 LYS 443 HE2 0.02 -0.06 0.03 -0.04 2.99 2.94 3k9yA1 LYS 443 HE3 0.03 0.02 0.03 -0.04 2.99 3.03 3k9yA1 GLU 444 H -0.02 0.24 0.18 -0.55 8.60 8.46 3k9yA1 GLU 444 HA -0.01 0.11 0.68 -0.75 4.29 4.31 3k9yA1 GLU 444 HB2 -0.02 -0.01 -0.09 -0.04 2.09 1.92 3k9yA1 GLU 444 HB3 -0.02 -0.02 0.06 -0.04 1.99 1.97 3k9yA1 GLU 444 HG2 -0.01 -0.03 -0.06 -0.04 2.34 2.21 3k9yA1 GLU 444 HG3 -0.01 0.17 -0.28 -0.04 2.34 2.18 3k9yA1 LYS 445 H -0.03 0.04 0.37 -0.55 8.42 8.25 3k9yA1 LYS 445 HA -0.07 -0.01 0.36 -0.75 4.32 3.85 3k9yA1 LYS 445 HB2 -0.13 -0.20 0.20 -0.04 1.87 1.70 3k9yA1 LYS 445 HB3 -0.09 -0.03 0.21 -0.04 1.79 1.84 3k9yA1 LYS 445 HG2 -0.06 0.12 -0.08 -0.04 1.46 1.40 3k9yA1 LYS 445 HG3 -0.03 -0.08 0.07 -0.04 1.46 1.38 3k9yA1 LYS 445 HD2 -0.03 -0.10 -0.40 -0.04 1.69 1.12 3k9yA1 LYS 445 HD3 -0.08 0.16 -0.09 -0.04 1.68 1.63 3k9yA1 LYS 445 HE2 0.02 -0.09 -0.14 -0.04 2.99 2.74 3k9yA1 LYS 445 HE3 0.02 -0.00 -0.05 -0.04 2.99 2.92 3k9yA1 LYS 446 H -0.13 0.09 0.05 -0.55 8.42 7.87 3k9yA1 LYS 446 HA -0.06 0.19 0.74 -0.75 4.32 4.44 3k9yA1 LYS 446 HB2 -0.13 -0.05 0.23 -0.04 1.87 1.88 3k9yA1 LYS 446 HB3 -0.08 -0.02 0.14 -0.04 1.79 1.80 3k9yA1 LYS 446 HG2 -0.05 0.13 -0.14 -0.04 1.46 1.35 3k9yA1 LYS 446 HG3 -0.07 -0.09 -0.28 -0.04 1.46 0.97 3k9yA1 LYS 446 HD2 -0.05 -0.01 -0.03 -0.04 1.69 1.56 3k9yA1 LYS 446 HD3 -0.08 0.00 0.00 -0.04 1.68 1.56 3k9yA1 LYS 446 HE2 -0.06 -0.03 0.05 -0.04 2.99 2.91 3k9yA1 LYS 446 HE3 -0.04 0.01 0.00 -0.04 2.99 2.93 3k9yA1 ILE 447 H -0.16 0.08 0.13 -0.55 8.25 7.75 3k9yA1 ILE 447 HA -0.23 -0.03 0.42 -0.75 4.18 3.58 3k9yA1 ILE 447 HB -0.09 0.28 0.30 -0.04 1.89 2.34 3k9yA1 ILE 447 HG12 -0.56 0.12 0.00 -0.04 1.49 1.01 3k9yA1 ILE 447 HG13 -0.31 -0.22 -0.33 -0.04 1.21 0.31 3k9yA1 ILE 447 HG23 0.03 -0.02 -0.24 -0.04 0.93 0.67 3k9yA1 ILE 447 HD13 -0.78 0.01 -0.11 -0.04 0.88 -0.04 3k9yA1 ASN 448 H -0.05 0.09 0.08 -0.55 8.53 8.10 3k9yA1 ASN 448 HA -0.00 0.23 0.62 -0.75 4.76 4.85 3k9yA1 ASN 448 HB2 0.10 0.02 0.05 -0.04 2.88 3.00 3k9yA1 ASN 448 HB3 0.04 0.03 0.06 -0.04 2.79 2.87 3k9yA1 ASN 448 HD21 0.20 0.09 -0.07 -0.04 7.03 7.21 3k9yA1 ASN 448 HD22 0.32 0.01 -0.04 -0.04 7.74 8.00 3k9yA1 PRO 449 HA 0.02 0.09 0.36 -0.51 4.44 4.40 3k9yA1 PRO 449 HB2 -0.56 -0.03 0.02 -0.04 2.28 1.66 3k9yA1 PRO 449 HB3 -0.22 0.06 0.10 -0.04 2.02 1.92 3k9yA1 PRO 449 HG2 -0.14 0.02 0.09 -0.04 2.03 1.96 3k9yA1 PRO 449 HG3 -0.05 0.10 0.12 -0.04 2.03 2.16 3k9yA1 PRO 449 HD2 -0.09 0.02 0.20 -0.04 3.68 3.77 3k9yA1 PRO 449 HD3 -0.03 0.35 0.30 -0.04 3.65 4.23 3k9yA1 PHE 450 H -0.05 -0.02 -0.83 -0.55 8.34 6.89 3k9yA1 PHE 450 HA 0.04 0.12 0.49 -0.75 4.62 4.52 3k9yA1 PHE 450 HB2 0.03 -0.01 0.10 -0.04 3.15 3.23 3k9yA1 PHE 450 HB3 0.05 -0.03 0.21 -0.04 3.06 3.25 3k9yA1 PHE 450 HD2 0.01 0.01 -0.05 -0.04 7.28 7.21 3k9yA1 PHE 450 HE2 -0.16 -0.01 -0.01 -0.04 7.38 7.17 3k9yA1 PHE 450 HZ -0.42 0.02 -0.00 -0.04 7.32 6.88 3k9yA1 ALA 451 H 0.17 0.13 -0.55 -0.55 8.40 7.61 3k9yA1 ALA 451 HA 0.19 0.09 0.78 -0.75 4.34 4.65 3k9yA1 ALA 451 HB3 0.09 -0.00 -0.04 -0.04 1.41 1.41 3k9yA1 HIS 452 H 0.30 0.16 -0.01 -0.55 8.41 8.31 3k9yA1 HIS 452 HA 0.24 0.21 0.79 -0.75 4.63 5.11 3k9yA1 HIS 452 HB2 0.69 0.03 -0.11 -0.04 3.26 3.83 3k9yA1 HIS 452 HB3 0.30 -0.00 0.12 -0.04 3.20 3.57 3k9yA1 HIS 452 HD2 -0.08 -0.01 -0.08 -0.04 6.97 6.75 3k9yA1 HIS 452 HE1 -0.13 -0.01 -0.34 -0.04 7.75 7.22 3k9yA1 LEU 453 H -0.09 0.30 -0.11 -0.55 8.37 7.93 3k9yA1 LEU 453 HA -0.05 0.20 0.69 -0.75 4.35 4.44 3k9yA1 LEU 453 HB2 0.05 0.01 0.03 -0.04 1.64 1.69 3k9yA1 LEU 453 HB3 0.06 -0.12 -0.08 -0.04 1.64 1.46 3k9yA1 LEU 453 HG 0.08 0.39 -0.40 -0.04 1.64 1.66 3k9yA1 LEU 453 HD13 0.17 -0.04 -0.41 -0.04 0.93 0.60 3k9yA1 LEU 453 HD23 0.16 -0.02 -0.15 -0.04 0.89 0.83 3k9yA1 PRO 454 HA -0.22 0.21 0.45 -0.51 4.44 4.37 3k9yA1 PRO 454 HB2 -0.42 0.00 -0.06 -0.04 2.28 1.76 3k9yA1 PRO 454 HB3 -0.31 0.03 0.08 -0.04 2.02 1.78 3k9yA1 PRO 454 HG2 -0.33 0.06 -0.08 -0.04 2.03 1.64 3k9yA1 PRO 454 HG3 -0.45 0.14 -0.12 -0.04 2.03 1.56 3k9yA1 PRO 454 HD2 -0.16 0.11 0.00 -0.04 3.68 3.59 3k9yA1 PRO 454 HD3 -0.91 0.08 -0.31 -0.04 3.65 2.47 3k9yA1 PHE 455 H 0.14 0.12 -0.31 -0.55 8.34 7.74 3k9yA1 PHE 455 HA -0.02 0.17 0.82 -0.75 4.62 4.84 3k9yA1 PHE 455 HB2 -0.03 0.08 0.03 -0.04 3.15 3.19 3k9yA1 PHE 455 HB3 -0.00 -0.05 0.19 -0.04 3.06 3.16 3k9yA1 PHE 455 HD2 -0.04 -0.05 -0.00 -0.04 7.28 7.15 3k9yA1 PHE 455 HE2 -0.04 -0.01 -0.05 -0.04 7.38 7.24 3k9yA1 PHE 455 HZ -0.05 0.01 -0.05 -0.04 7.32 7.19 3k9yA1 GLY 456 H 0.04 0.26 -0.50 -0.55 8.43 7.68 3k9yA1 GLY 456 HA2 0.07 -0.02 0.31 -0.51 4.01 3.86 3k9yA1 GLY 456 HA3 0.09 0.10 0.44 -0.51 4.01 4.13 3k9yA1 ILE 457 H 0.11 0.01 0.05 -0.55 8.25 7.87 3k9yA1 ILE 457 HA 0.12 0.17 0.48 -0.75 4.18 4.19 3k9yA1 ILE 457 HB 0.18 0.01 0.04 -0.04 1.89 2.08 3k9yA1 ILE 457 HG12 0.33 0.07 0.03 -0.04 1.49 1.88 3k9yA1 ILE 457 HG13 0.36 -0.21 0.17 -0.04 1.21 1.50 3k9yA1 ILE 457 HG23 0.14 -0.00 -0.13 -0.04 0.93 0.90 3k9yA1 ILE 457 HD13 0.12 0.07 0.03 -0.04 0.88 1.07 3k9yA1 GLY 458 H 0.32 0.07 0.10 -0.55 8.43 8.38 3k9yA1 GLY 458 HA2 0.41 0.09 0.37 -0.51 4.01 4.36 3k9yA1 GLY 458 HA3 0.20 -0.00 0.27 -0.51 4.01 3.96 3k9yA1 LYS 459 H 0.19 0.16 0.14 -0.55 8.42 8.36 3k9yA1 LYS 459 HA 0.22 0.21 0.71 -0.75 4.32 4.71 3k9yA1 LYS 459 HB2 0.23 0.02 0.14 -0.04 1.87 2.22 3k9yA1 LYS 459 HB3 0.21 -0.01 0.09 -0.04 1.79 2.03 3k9yA1 LYS 459 HG2 0.23 -0.02 -0.04 -0.04 1.46 1.59 3k9yA1 LYS 459 HG3 0.58 0.00 -0.31 -0.04 1.46 1.69 3k9yA1 LYS 459 HD2 0.45 0.16 0.07 -0.04 1.69 2.33 3k9yA1 LYS 459 HD3 0.27 -0.05 0.05 -0.04 1.68 1.91 3k9yA1 LYS 459 HE2 0.15 -0.05 0.05 -0.04 2.99 3.10 3k9yA1 LYS 459 HE3 0.15 -0.05 0.02 -0.04 2.99 3.07 3k9yA1 ARG 460 H 0.17 0.05 -0.22 -0.55 8.46 7.91 3k9yA1 ARG 460 HA 0.52 0.20 0.81 -0.75 4.34 5.11 3k9yA1 ARG 460 HB2 -0.11 -0.08 -0.02 -0.04 1.90 1.64 3k9yA1 ARG 460 HB3 -0.01 -0.02 -0.00 -0.04 1.80 1.73 3k9yA1 ARG 460 HG2 0.13 0.05 0.09 -0.04 1.67 1.89 3k9yA1 ARG 460 HG3 -0.92 -0.01 0.00 -0.04 1.67 0.70 3k9yA1 ARG 460 HD2 -0.50 0.14 -0.33 -0.04 3.22 2.50 3k9yA1 ARG 460 HD3 -0.15 -0.07 -0.09 -0.04 3.22 2.87 3k9yA1 MET 461 H 0.19 0.07 -0.61 -0.55 8.47 7.57 3k9yA1 MET 461 HA 0.14 0.01 0.43 -0.75 4.52 4.34 3k9yA1 MET 461 HB2 0.14 0.19 0.09 -0.04 2.15 2.53 3k9yA1 MET 461 HB3 0.14 0.36 -0.22 -0.04 2.03 2.27 3k9yA1 MET 461 HG2 0.14 0.09 -0.04 -0.04 2.63 2.78 3k9yA1 MET 461 HG3 0.12 -0.06 -0.41 -0.04 2.56 2.17 3k9yA1 MET 461 HE3 0.00 -0.05 -0.06 -0.04 2.10 1.96 3k9yA1 CYS 462 H 0.17 0.74 0.27 -0.55 8.50 9.14 3k9yA1 CYS 462 HA 0.14 -0.02 0.36 -0.75 4.58 4.31 3k9yA1 CYS 462 HB2 0.26 0.15 0.23 -0.04 2.97 3.57 3k9yA1 CYS 462 HB3 0.35 -0.03 0.19 -0.04 2.97 3.44 3k9yA1 ILE 463 H 0.10 0.12 0.17 -0.55 8.25 8.09 3k9yA1 ILE 463 HA 0.05 0.24 0.62 -0.75 4.18 4.33 3k9yA1 ILE 463 HB 0.09 0.11 0.04 -0.04 1.89 2.09 3k9yA1 ILE 463 HG12 0.01 -0.04 0.05 -0.04 1.49 1.46 3k9yA1 ILE 463 HG13 0.03 0.07 0.06 -0.04 1.21 1.33 3k9yA1 ILE 463 HG23 0.02 -0.02 -0.14 -0.04 0.93 0.76 3k9yA1 ILE 463 HD13 0.03 -0.01 -0.08 -0.04 0.88 0.77 3k9yA1 GLY 464 H 0.06 0.03 -0.12 -0.55 8.43 7.86 3k9yA1 GLY 464 HA2 -0.03 0.15 0.54 -0.51 4.01 4.16 3k9yA1 GLY 464 HA3 0.02 0.06 0.19 -0.51 4.01 3.77 3k9yA1 ARG 465 H 0.05 0.09 -0.20 -0.55 8.46 7.84 3k9yA1 ARG 465 HA -0.40 0.01 0.27 -0.75 4.34 3.47 3k9yA1 ARG 465 HB2 -0.33 0.11 0.01 -0.04 1.90 1.66 3k9yA1 ARG 465 HB3 -0.31 0.02 -0.08 -0.04 1.80 1.39 3k9yA1 ARG 465 HG2 -0.84 -0.02 -0.17 -0.04 1.67 0.61 3k9yA1 ARG 465 HG3 -3.26 -0.04 0.01 -0.04 1.67 -1.66 3k9yA1 ARG 465 HD2 -0.55 -0.03 -0.03 -0.04 3.22 2.56 3k9yA1 ARG 465 HD3 -0.31 0.11 -0.02 -0.04 3.22 2.95 3k9yA1 ARG 466 H -0.14 0.18 -0.27 -0.55 8.46 7.68 3k9yA1 ARG 466 HA -0.12 0.03 0.46 -0.75 4.34 3.96 3k9yA1 ARG 466 HB2 -0.08 0.41 0.38 -0.04 1.90 2.57 3k9yA1 ARG 466 HB3 -0.06 -0.12 0.09 -0.04 1.80 1.67 3k9yA1 ARG 466 HG2 -0.10 0.01 0.05 -0.04 1.67 1.59 3k9yA1 ARG 466 HG3 -0.06 -0.10 0.08 -0.04 1.67 1.55 3k9yA1 ARG 466 HD2 -0.04 -0.11 -0.07 -0.04 3.22 2.96 3k9yA1 ARG 466 HD3 -0.06 -0.01 -0.00 -0.04 3.22 3.10 3k9yA1 LEU 467 H -0.07 0.35 0.19 -0.55 8.37 8.28 3k9yA1 LEU 467 HA -0.04 -0.07 0.30 -0.75 4.35 3.78 3k9yA1 LEU 467 HB2 -0.08 0.01 0.18 -0.04 1.64 1.70 3k9yA1 LEU 467 HB3 -0.08 0.11 0.12 -0.04 1.64 1.75 3k9yA1 LEU 467 HG -0.08 -0.01 -0.19 -0.04 1.64 1.32 3k9yA1 LEU 467 HD13 -0.05 -0.03 0.11 -0.04 0.93 0.91 3k9yA1 LEU 467 HD23 -0.11 0.01 0.01 -0.04 0.89 0.75 3k9yA1 ALA 468 H -0.05 0.29 -1.20 -0.55 8.40 6.89 3k9yA1 ALA 468 HA -0.01 0.02 0.45 -0.75 4.34 4.04 3k9yA1 ALA 468 HB3 0.11 0.02 -0.12 -0.04 1.41 1.38 3k9yA1 GLU 469 H -0.07 0.69 0.17 -0.55 8.60 8.84 3k9yA1 GLU 469 HA -0.20 0.01 0.29 -0.75 4.29 3.65 3k9yA1 GLU 469 HB2 -0.15 0.28 0.27 -0.04 2.09 2.45 3k9yA1 GLU 469 HB3 -0.19 -0.07 -0.08 -0.04 1.99 1.60 3k9yA1 GLU 469 HG2 -0.23 0.00 -0.01 -0.04 2.34 2.07 3k9yA1 GLU 469 HG3 -0.02 -0.03 0.02 -0.04 2.34 2.26 3k9yA1 LEU 470 H -0.04 0.44 -0.43 -0.55 8.37 7.78 3k9yA1 LEU 470 HA 0.10 0.02 0.33 -0.75 4.35 4.04 3k9yA1 LEU 470 HB2 0.02 -0.02 -0.10 -0.04 1.64 1.49 3k9yA1 LEU 470 HB3 0.01 0.10 0.02 -0.04 1.64 1.73 3k9yA1 LEU 470 HG 0.08 -0.01 -0.25 -0.04 1.64 1.42 3k9yA1 LEU 470 HD13 0.09 -0.02 -0.02 -0.04 0.93 0.95 3k9yA1 LEU 470 HD23 0.03 -0.02 -0.15 -0.04 0.89 0.71 3k9yA1 GLN 471 H 0.03 0.44 -0.16 -0.55 8.47 8.23 3k9yA1 GLN 471 HA 0.18 -0.11 0.33 -0.75 4.36 4.01 3k9yA1 GLN 471 HB2 0.07 0.18 0.12 -0.04 2.15 2.48 3k9yA1 GLN 471 HB3 0.22 -0.10 0.04 -0.04 2.02 2.14 3k9yA1 GLN 471 HG2 0.03 -0.16 0.07 -0.04 2.40 2.31 3k9yA1 GLN 471 HG3 -0.02 0.69 0.28 -0.04 2.39 3.30 3k9yA1 GLN 471 HE21 -0.23 -0.09 -0.00 -0.04 6.97 6.61 3k9yA1 GLN 471 HE22 -0.12 0.13 -0.04 -0.04 7.69 7.62 3k9yA1 LEU 472 H 0.02 0.46 -0.36 -0.55 8.37 7.94 3k9yA1 LEU 472 HA 0.14 0.06 0.47 -0.75 4.35 4.26 3k9yA1 LEU 472 HB2 -0.09 0.00 -0.03 -0.04 1.64 1.48 3k9yA1 LEU 472 HB3 0.02 -0.02 0.03 -0.04 1.64 1.63 3k9yA1 LEU 472 HG 0.09 0.02 -0.12 -0.04 1.64 1.60 3k9yA1 LEU 472 HD13 0.07 -0.02 -0.12 -0.04 0.93 0.82 3k9yA1 LEU 472 HD23 0.17 0.02 -0.08 -0.04 0.89 0.96 3k9yA1 HIS 473 H 0.10 0.43 -0.56 -0.55 8.41 7.84 3k9yA1 HIS 473 HA 0.07 0.12 0.78 -0.75 4.63 4.85 3k9yA1 HIS 473 HB2 0.06 0.10 0.23 -0.04 3.26 3.61 3k9yA1 HIS 473 HB3 0.06 -0.16 -0.05 -0.04 3.20 3.01 3k9yA1 HIS 473 HD2 0.04 0.10 -0.15 -0.04 6.97 6.92 3k9yA1 HIS 473 HE1 -0.00 -0.04 -0.06 -0.04 7.75 7.60 3k9yA1 LEU 474 H 0.19 0.47 0.06 -0.55 8.37 8.55 3k9yA1 LEU 474 HA 0.23 -0.01 0.29 -0.75 4.35 4.10 3k9yA1 LEU 474 HB2 0.17 0.01 0.13 -0.04 1.64 1.91 3k9yA1 LEU 474 HB3 0.25 -0.05 -0.02 -0.04 1.64 1.78 3k9yA1 LEU 474 HG 0.16 0.02 -0.08 -0.04 1.64 1.69 3k9yA1 LEU 474 HD13 0.23 -0.02 -0.07 -0.04 0.93 1.02 3k9yA1 LEU 474 HD23 0.17 -0.03 -0.19 -0.04 0.89 0.81 3k9yA1 ALA 475 H 0.05 0.17 0.03 -0.55 8.40 8.11 3k9yA1 ALA 475 HA -0.15 -0.14 0.42 -0.75 4.34 3.71 3k9yA1 ALA 475 HB3 -0.61 0.04 0.07 -0.04 1.41 0.87 3k9yA1 LEU 476 H 0.05 -0.25 0.18 -0.55 8.37 7.81 3k9yA1 LEU 476 HA 0.01 -0.04 0.26 -0.75 4.35 3.82 3k9yA1 LEU 476 HB2 0.06 0.82 0.73 -0.04 1.64 3.22 3k9yA1 LEU 476 HB3 0.11 0.12 -0.20 -0.04 1.64 1.63 3k9yA1 LEU 476 HG 0.05 -0.11 0.03 -0.04 1.64 1.57 3k9yA1 LEU 476 HD13 0.13 0.07 0.08 -0.04 0.93 1.17 3k9yA1 LEU 476 HD23 0.08 -0.04 0.04 -0.04 0.89 0.92 3k9yA1 CYS 477 H 0.19 0.71 0.27 -0.55 8.50 9.13 3k9yA1 CYS 477 HA 0.07 0.18 0.71 -0.75 4.58 4.78 3k9yA1 CYS 477 HB2 0.26 0.28 0.30 -0.04 2.97 3.77 3k9yA1 CYS 477 HB3 0.03 -0.04 0.05 -0.04 2.97 2.98 3k9yA1 TRP 478 H 0.67 0.19 0.12 -0.55 7.97 8.41 3k9yA1 TRP 478 HA -0.02 0.15 0.31 -0.75 4.62 4.31 3k9yA1 TRP 478 HB2 -0.06 -0.09 0.01 -0.04 3.23 3.06 3k9yA1 TRP 478 HB3 -0.03 0.06 0.03 -0.04 3.23 3.25 3k9yA1 TRP 478 HD1 -0.01 0.02 -0.06 -0.04 7.22 7.12 3k9yA1 TRP 478 HE1 0.03 -0.00 -0.05 -0.04 10.20 10.13 3k9yA1 TRP 478 HE3 -0.01 0.01 -0.03 -0.04 7.59 7.52 3k9yA1 TRP 478 HZ2 0.03 -0.01 0.01 -0.04 7.44 7.44 3k9yA1 TRP 478 HZ3 0.01 0.00 -0.01 -0.04 7.13 7.09 3k9yA1 TRP 478 HH2 0.03 -0.01 -0.03 -0.04 7.19 7.14 3k9yA1 ILE 479 H 0.13 -0.23 -0.51 -0.55 8.25 7.09 3k9yA1 ILE 479 HA 0.06 0.13 0.42 -0.75 4.18 4.03 3k9yA1 ILE 479 HB -0.03 -0.10 -0.01 -0.04 1.89 1.71 3k9yA1 ILE 479 HG12 -0.22 0.08 -0.10 -0.04 1.49 1.20 3k9yA1 ILE 479 HG13 -0.10 -0.18 -0.07 -0.04 1.21 0.82 3k9yA1 ILE 479 HG23 -0.21 0.05 -0.30 -0.04 0.93 0.43 3k9yA1 ILE 479 HD13 -0.19 0.03 -0.13 -0.04 0.88 0.55 3k9yA1 ILE 480 H 0.04 0.18 -0.30 -0.55 8.25 7.62 3k9yA1 ILE 480 HA 0.04 0.14 0.30 -0.75 4.18 3.90 3k9yA1 ILE 480 HB 0.05 -0.03 0.10 -0.04 1.89 1.97 3k9yA1 ILE 480 HG12 0.04 -0.01 0.04 -0.04 1.49 1.52 3k9yA1 ILE 480 HG13 0.05 0.00 0.14 -0.04 1.21 1.35 3k9yA1 ILE 480 HG23 0.04 0.00 -0.04 -0.04 0.93 0.89 3k9yA1 ILE 480 HD13 0.07 0.00 -0.04 -0.04 0.88 0.88 3k9yA1 GLN 481 H 0.05 0.12 -0.89 -0.55 8.47 7.20 3k9yA1 GLN 481 HA -0.03 0.05 0.40 -0.75 4.36 4.03 3k9yA1 GLN 481 HB2 -0.04 0.15 -0.03 -0.04 2.15 2.19 3k9yA1 GLN 481 HB3 0.00 -0.12 0.19 -0.04 2.02 2.05 3k9yA1 GLN 481 HG2 -0.13 -0.08 -0.04 -0.04 2.40 2.11 3k9yA1 GLN 481 HG3 -0.09 -0.01 -0.11 -0.04 2.39 2.14 3k9yA1 GLN 481 HE21 -0.28 0.35 -0.02 -0.04 6.97 6.98 3k9yA1 GLN 481 HE22 -0.34 -0.13 -0.19 -0.04 7.69 7.00 3k9yA1 LYS 482 H -0.00 0.30 0.07 -0.55 8.42 8.23 3k9yA1 LYS 482 HA -0.17 -0.03 0.34 -0.75 4.32 3.71 3k9yA1 LYS 482 HB2 -0.08 -0.07 0.13 -0.04 1.87 1.81 3k9yA1 LYS 482 HB3 -0.02 0.15 0.14 -0.04 1.79 2.02 3k9yA1 LYS 482 HG2 -1.21 0.02 -0.08 -0.04 1.46 0.15 3k9yA1 LYS 482 HG3 -0.40 -0.04 0.13 -0.04 1.46 1.10 3k9yA1 LYS 482 HD2 -0.05 -0.02 0.01 -0.04 1.69 1.58 3k9yA1 LYS 482 HD3 0.04 -0.02 -0.01 -0.04 1.68 1.64 3k9yA1 LYS 482 HE2 -0.05 -0.01 -0.03 -0.04 2.99 2.86 3k9yA1 LYS 482 HE3 -0.18 0.00 0.00 -0.04 2.99 2.78 3k9yA1 TYR 483 H 0.04 0.44 -0.67 -0.55 8.29 7.55 3k9yA1 TYR 483 HA -0.02 0.11 0.73 -0.75 4.56 4.62 3k9yA1 TYR 483 HB2 -0.18 0.01 -0.21 -0.04 3.06 2.63 3k9yA1 TYR 483 HB3 -0.05 0.08 -0.13 -0.04 2.98 2.83 3k9yA1 TYR 483 HD2 -0.07 0.00 -0.42 -0.04 7.15 6.62 3k9yA1 TYR 483 HE2 -0.06 -0.04 -0.08 -0.04 6.85 6.64 3k9yA1 ASP 484 H 0.19 0.64 0.24 -0.55 8.40 8.91 3k9yA1 ASP 484 HA 0.07 0.12 0.69 -0.75 4.63 4.75 3k9yA1 ASP 484 HB2 0.06 0.06 -0.02 -0.04 2.71 2.77 3k9yA1 ASP 484 HB3 0.09 -0.07 0.06 -0.04 2.70 2.74 3k9yA1 ILE 485 H 0.08 0.18 0.04 -0.55 8.25 8.01 3k9yA1 ILE 485 HA 0.24 0.36 1.08 -0.75 4.18 5.10 3k9yA1 ILE 485 HB 0.09 -0.03 0.07 -0.04 1.89 1.98 3k9yA1 ILE 485 HG12 0.08 -0.06 -0.15 -0.04 1.49 1.32 3k9yA1 ILE 485 HG13 0.24 0.04 -0.18 -0.04 1.21 1.26 3k9yA1 ILE 485 HG23 0.15 -0.01 -0.22 -0.04 0.93 0.81 3k9yA1 ILE 485 HD13 -0.00 -0.04 -0.67 -0.04 0.88 0.13 3k9yA1 VAL 486 H 0.09 0.65 0.23 -0.55 8.24 8.66 3k9yA1 VAL 486 HA 0.02 0.25 1.10 -0.75 4.13 4.75 3k9yA1 VAL 486 HB 0.04 -0.01 -0.07 -0.04 2.12 2.03 3k9yA1 VAL 486 HG13 0.04 -0.01 -0.06 -0.04 0.97 0.90 3k9yA1 VAL 486 HG23 0.01 0.04 -0.07 -0.04 0.95 0.89 3k9yA1 ALA 487 H -0.01 0.25 0.23 -0.55 8.40 8.33 3k9yA1 ALA 487 HA -0.02 0.15 0.69 -0.75 4.34 4.40 3k9yA1 ALA 487 HB3 -0.03 0.08 0.14 -0.04 1.41 1.56 3k9yA1 THR 488 H -0.02 0.52 -0.00 -0.55 8.28 8.23 3k9yA1 THR 488 HA -0.02 0.10 0.45 -0.75 4.39 4.17 3k9yA1 THR 488 HB -0.04 -0.03 -0.01 -0.04 4.32 4.20 3k9yA1 THR 488 HG23 -0.07 0.01 -0.43 -0.04 1.22 0.68 3k9yA1 ASP 489 H -0.00 0.27 0.07 -0.55 8.40 8.19 3k9yA1 ASP 489 HA 0.00 0.17 0.41 -0.75 4.63 4.45 3k9yA1 ASP 489 HB2 0.00 -0.13 0.18 -0.04 2.71 2.72 3k9yA1 ASP 489 HB3 -0.00 0.12 -0.08 -0.04 2.70 2.70 3k9yA1 ASN 490 H 0.01 0.12 0.08 -0.55 8.53 8.20 3k9yA1 ASN 490 HA 0.02 0.29 0.90 -0.75 4.76 5.22 3k9yA1 ASN 490 HB2 0.01 -0.04 0.09 -0.04 2.88 2.90 3k9yA1 ASN 490 HB3 0.02 0.02 0.20 -0.04 2.79 2.98 3k9yA1 ASN 490 HD21 0.01 0.02 -0.04 -0.04 7.03 6.97 3k9yA1 ASN 490 HD22 0.01 -0.03 0.00 -0.04 7.74 7.68 3k9yA1 GLU 491 H 0.03 0.08 -0.10 -0.55 8.60 8.06 3k9yA1 GLU 491 HA 0.03 0.24 0.99 -0.75 4.29 4.80 3k9yA1 GLU 491 HB2 0.01 -0.01 0.06 -0.04 2.09 2.12 3k9yA1 GLU 491 HB3 0.02 0.05 0.05 -0.04 1.99 2.07 3k9yA1 GLU 491 HG2 0.01 -0.16 -0.06 -0.04 2.34 2.09 3k9yA1 GLU 491 HG3 0.01 0.01 -0.01 -0.04 2.34 2.31 3k9yA1 PRO 492 HA 0.06 0.00 0.34 -0.51 4.44 4.34 3k9yA1 PRO 492 HB2 0.02 -0.02 0.04 -0.04 2.28 2.28 3k9yA1 PRO 492 HB3 0.03 0.01 0.01 -0.04 2.02 2.04 3k9yA1 PRO 492 HG2 0.02 0.01 0.08 -0.04 2.03 2.11 3k9yA1 PRO 492 HG3 0.04 0.07 0.10 -0.04 2.03 2.19 3k9yA1 PRO 492 HD2 0.02 0.06 0.21 -0.04 3.68 3.93 3k9yA1 PRO 492 HD3 0.03 0.26 0.28 -0.04 3.65 4.17 3k9yA1 VAL 493 H 0.08 0.20 0.02 -0.55 8.24 7.99 3k9yA1 VAL 493 HA 0.01 0.07 0.76 -0.75 4.13 4.21 3k9yA1 VAL 493 HB 0.04 0.02 0.07 -0.04 2.12 2.21 3k9yA1 VAL 493 HG13 -0.18 -0.03 -0.16 -0.04 0.97 0.56 3k9yA1 VAL 493 HG23 -0.00 0.06 -0.14 -0.04 0.95 0.83 3k9yA1 GLU 494 H 0.03 0.12 0.06 -0.55 8.60 8.26 3k9yA1 GLU 494 HA 0.06 0.15 0.63 -0.75 4.29 4.38 3k9yA1 GLU 494 HB2 0.03 -0.05 0.08 -0.04 2.09 2.12 3k9yA1 GLU 494 HB3 0.06 0.14 -0.02 -0.04 1.99 2.12 3k9yA1 GLU 494 HG2 0.04 -0.06 -0.09 -0.04 2.34 2.19 3k9yA1 GLU 494 HG3 0.03 0.00 -0.02 -0.04 2.34 2.31 3k9yA1 MET 495 H 0.04 0.14 0.17 -0.55 8.47 8.27 3k9yA1 MET 495 HA 0.15 0.15 0.58 -0.75 4.52 4.65 3k9yA1 MET 495 HB2 -0.19 -0.05 0.11 -0.04 2.15 1.98 3k9yA1 MET 495 HB3 -0.34 -0.00 -0.10 -0.04 2.03 1.55 3k9yA1 MET 495 HG2 -0.58 0.03 -0.16 -0.04 2.63 1.88 3k9yA1 MET 495 HG3 -0.19 -0.01 -0.03 -0.04 2.56 2.30 3k9yA1 MET 495 HE3 -1.59 0.01 -0.28 -0.04 2.10 0.19 3k9yA1 LEU 496 H 0.09 0.84 0.32 -0.55 8.37 9.08 3k9yA1 LEU 496 HA 0.21 0.27 1.13 -0.75 4.35 5.21 3k9yA1 LEU 496 HB2 0.05 0.03 0.02 -0.04 1.64 1.70 3k9yA1 LEU 496 HB3 0.07 -0.02 -0.09 -0.04 1.64 1.56 3k9yA1 LEU 496 HG 0.05 0.04 -0.27 -0.04 1.64 1.41 3k9yA1 LEU 496 HD13 0.01 -0.01 -0.09 -0.04 0.93 0.80 3k9yA1 LEU 496 HD23 0.07 0.07 -0.35 -0.04 0.89 0.64 3k9yA1 HIS 497 H 0.38 0.52 0.23 -0.55 8.41 8.99 3k9yA1 HIS 497 HA 0.03 0.06 0.23 -0.75 4.63 4.19 3k9yA1 HIS 497 HB2 0.41 -0.05 0.03 -0.04 3.26 3.61 3k9yA1 HIS 497 HB3 0.12 0.03 0.08 -0.04 3.20 3.39 3k9yA1 HIS 497 HD2 0.07 -0.10 -0.05 -0.04 6.97 6.85 3k9yA1 HIS 497 HE1 0.02 0.31 0.01 -0.04 7.75 8.04 3k9yA1 LEU 498 H 0.30 0.24 -0.11 -0.55 8.37 8.25 3k9yA1 LEU 498 HA 0.07 0.05 0.48 -0.75 4.35 4.20 3k9yA1 LEU 498 HB2 0.06 0.06 0.19 -0.04 1.64 1.90 3k9yA1 LEU 498 HB3 0.04 -0.04 0.16 -0.04 1.64 1.76 3k9yA1 LEU 498 HG 0.06 0.19 -0.38 -0.04 1.64 1.46 3k9yA1 LEU 498 HD13 -0.01 -0.01 -0.03 -0.04 0.93 0.83 3k9yA1 LEU 498 HD23 0.04 0.11 -0.05 -0.04 0.89 0.95 3k9yA1 GLY 499 H 0.39 0.13 -0.12 -0.55 8.43 8.28 3k9yA1 GLY 499 HA2 0.22 -0.00 0.37 -0.51 4.01 4.08 3k9yA1 GLY 499 HA3 0.16 0.22 0.81 -0.51 4.01 4.69 3k9yA1 ILE 500 H 0.11 0.39 -0.46 -0.55 8.25 7.74 3k9yA1 ILE 500 HA -0.18 0.20 0.95 -0.75 4.18 4.40 3k9yA1 ILE 500 HB 0.01 0.19 0.00 -0.04 1.89 2.05 3k9yA1 ILE 500 HG12 0.09 -0.08 -0.01 -0.04 1.49 1.45 3k9yA1 ILE 500 HG13 0.13 0.06 -0.20 -0.04 1.21 1.16 3k9yA1 ILE 500 HG23 -0.00 -0.04 -0.20 -0.04 0.93 0.65 3k9yA1 ILE 500 HD13 0.11 -0.01 -0.17 -0.04 0.88 0.77 3k9yA1 LEU 501 H -0.31 0.37 0.12 -0.55 8.37 8.00 3k9yA1 LEU 501 HA -0.10 0.01 0.19 -0.75 4.35 3.69 3k9yA1 LEU 501 HB2 -0.43 0.24 0.05 -0.04 1.64 1.46 3k9yA1 LEU 501 HB3 -0.39 -0.07 -0.12 -0.04 1.64 1.01 3k9yA1 LEU 501 HG -0.53 -0.04 -0.04 -0.04 1.64 0.99 3k9yA1 LEU 501 HD13 -0.56 0.07 -0.11 -0.04 0.93 0.28 3k9yA1 LEU 501 HD23 -0.52 -0.05 -0.29 -0.04 0.89 -0.01 3k9yA1 VAL 502 H 0.09 0.45 0.40 -0.55 8.24 8.63 3k9yA1 VAL 502 HA 0.31 0.14 0.72 -0.75 4.13 4.53 3k9yA1 VAL 502 HB -0.24 -0.01 0.07 -0.04 2.12 1.90 3k9yA1 VAL 502 HG13 -0.02 0.02 -0.10 -0.04 0.97 0.84 3k9yA1 VAL 502 HG23 -0.01 0.02 0.06 -0.04 0.95 0.98 3k9yA1 PRO 503 HA 0.18 0.22 0.80 -0.51 4.44 5.12 3k9yA1 PRO 503 HB2 -0.25 0.15 -0.04 -0.04 2.28 2.11 3k9yA1 PRO 503 HB3 -0.23 0.04 -0.05 -0.04 2.02 1.74 3k9yA1 PRO 503 HG2 -0.70 -0.03 0.02 -0.04 2.03 1.28 3k9yA1 PRO 503 HG3 -1.62 0.09 -0.07 -0.04 2.03 0.40 3k9yA1 PRO 503 HD2 -0.30 0.04 0.16 -0.04 3.68 3.54 3k9yA1 PRO 503 HD3 -0.17 0.14 0.19 -0.04 3.65 3.77 3k9yA1 SER 504 H 0.03 0.78 0.28 -0.55 8.46 9.00 3k9yA1 SER 504 HA -0.01 0.01 0.34 -0.75 4.49 4.08 3k9yA1 SER 504 HB2 -0.00 -0.03 0.03 -0.04 3.95 3.91 3k9yA1 SER 504 HB3 0.02 0.03 0.11 -0.04 3.93 4.05 3k9yA1 ARG 505 H -0.07 0.07 -0.21 -0.55 8.46 7.71 3k9yA1 ARG 505 HA -0.06 0.21 0.90 -0.75 4.34 4.63 3k9yA1 ARG 505 HB2 -0.05 -0.12 0.14 -0.04 1.90 1.83 3k9yA1 ARG 505 HB3 -0.04 0.00 -0.09 -0.04 1.80 1.63 3k9yA1 ARG 505 HG2 -0.05 -0.14 -0.03 -0.04 1.67 1.41 3k9yA1 ARG 505 HG3 -0.05 0.23 -0.15 -0.04 1.67 1.66 3k9yA1 ARG 505 HD2 -0.02 -0.06 -0.02 -0.04 3.22 3.08 3k9yA1 ARG 505 HD3 -0.02 -0.09 -0.01 -0.04 3.22 3.07 3k9yA1 GLU 506 H -0.06 0.09 0.12 -0.55 8.60 8.20 3k9yA1 GLU 506 HA -0.10 -0.04 0.46 -0.75 4.29 3.86 3k9yA1 GLU 506 HB2 -0.06 -0.01 0.16 -0.04 2.09 2.13 3k9yA1 GLU 506 HB3 -0.06 0.04 0.05 -0.04 1.99 1.98 3k9yA1 GLU 506 HG2 -0.06 0.03 0.05 -0.04 2.34 2.32 3k9yA1 GLU 506 HG3 -0.08 0.11 0.05 -0.04 2.34 2.38 3k9yA1 LEU 507 H -0.13 -0.01 0.20 -0.55 8.37 7.88 3k9yA1 LEU 507 HA -0.14 0.18 0.38 -0.75 4.35 4.00 3k9yA1 LEU 507 HB2 -0.19 -0.08 0.17 -0.04 1.64 1.50 3k9yA1 LEU 507 HB3 -0.12 -0.04 0.07 -0.04 1.64 1.51 3k9yA1 LEU 507 HG -0.00 0.06 -0.10 -0.04 1.64 1.56 3k9yA1 LEU 507 HD13 -0.66 0.02 -0.05 -0.04 0.93 0.21 3k9yA1 LEU 507 HD23 -0.20 -0.00 -0.05 -0.04 0.89 0.60 3k9yA1 PRO 508 HA -0.05 0.08 0.50 -0.51 4.44 4.46 3k9yA1 PRO 508 HB2 0.01 -0.19 0.22 -0.04 2.28 2.27 3k9yA1 PRO 508 HB3 -0.00 0.06 0.08 -0.04 2.02 2.12 3k9yA1 PRO 508 HG2 0.13 0.05 0.09 -0.04 2.03 2.26 3k9yA1 PRO 508 HG3 0.08 0.13 0.03 -0.04 2.03 2.24 3k9yA1 PRO 508 HD2 0.06 0.08 0.07 -0.04 3.68 3.85 3k9yA1 PRO 508 HD3 -0.03 0.23 0.18 -0.04 3.65 3.99 3k9yA1 ILE 509 H -0.12 0.51 0.02 -0.55 8.25 8.11 3k9yA1 ILE 509 HA -0.05 0.21 0.95 -0.75 4.18 4.53 3k9yA1 ILE 509 HB -0.02 0.08 -0.16 -0.04 1.89 1.75 3k9yA1 ILE 509 HG12 -0.19 -0.03 -0.05 -0.04 1.49 1.17 3k9yA1 ILE 509 HG13 -0.52 0.02 -0.25 -0.04 1.21 0.42 3k9yA1 ILE 509 HG23 0.06 -0.01 -0.39 -0.04 0.93 0.55 3k9yA1 ILE 509 HD13 0.05 -0.00 -0.16 -0.04 0.88 0.72 3k9yA1 ALA 510 H -0.06 1.30 0.35 -0.55 8.40 9.45 3k9yA1 ALA 510 HA -0.25 0.09 0.80 -0.75 4.34 4.23 3k9yA1 ALA 510 HB3 -0.03 0.02 -0.08 -0.04 1.41 1.27 3k9yA1 PHE 511 H -0.10 0.63 0.02 -0.55 8.34 8.34 3k9yA1 PHE 511 HA -0.03 0.34 1.02 -0.75 4.62 5.19 3k9yA1 PHE 511 HB2 -0.24 0.16 0.23 -0.04 3.15 3.27 3k9yA1 PHE 511 HB3 -0.63 -0.02 0.01 -0.04 3.06 2.38 3k9yA1 PHE 511 HD2 -0.21 0.11 -0.19 -0.04 7.28 6.95 3k9yA1 PHE 511 HE2 -0.10 -0.04 -0.16 -0.04 7.38 7.03 3k9yA1 PHE 511 HZ -0.07 -0.06 -0.13 -0.04 7.32 7.02 3k9yA1 ARG 512 H 0.19 0.29 0.07 -0.55 8.46 8.47 3k9yA1 ARG 512 HA 0.16 0.13 0.79 -0.75 4.34 4.67 3k9yA1 ARG 512 HB2 0.09 -0.06 0.07 -0.04 1.90 1.96 3k9yA1 ARG 512 HB3 0.07 0.11 -0.03 -0.04 1.80 1.91 3k9yA1 ARG 512 HG2 0.05 -0.02 -0.04 -0.04 1.67 1.61 3k9yA1 ARG 512 HG3 0.07 0.02 -0.12 -0.04 1.67 1.60 3k9yA1 ARG 512 HD2 0.05 -0.07 -0.15 -0.04 3.22 3.02 3k9yA1 ARG 512 HD3 0.04 -0.05 -0.06 -0.04 3.22 3.11 3k9yA1 PRO 513 HA -0.18 0.27 0.51 -0.51 4.44 4.54 3k9yA1 PRO 513 HB2 -0.04 -0.00 0.00 -0.04 2.28 2.19 3k9yA1 PRO 513 HB3 -0.18 0.04 0.16 -0.04 2.02 2.00 3k9yA1 PRO 513 HG2 0.04 0.00 0.07 -0.04 2.03 2.10 3k9yA1 PRO 513 HG3 0.13 0.07 0.06 -0.04 2.03 2.25 3k9yA1 PRO 513 HD2 0.06 0.05 0.15 -0.04 3.68 3.90 3k9yA1 PRO 513 HD3 0.16 0.19 0.31 -0.04 3.65 4.27 3k9yA1 ARG 514 H -0.14 0.22 0.05 -0.55 8.46 8.04 3k9yA1 ARG 514 HA -0.03 0.23 0.68 -0.75 4.34 4.46 3k9yA1 ARG 514 HB2 -0.08 0.02 0.01 -0.04 1.90 1.80 3k9yA1 ARG 514 HB3 -0.04 -0.05 0.01 -0.04 1.80 1.68 3k9yA1 ARG 514 HG2 -0.05 -0.03 -0.49 -0.04 1.67 1.06 3k9yA1 ARG 514 HG3 -0.04 0.23 -0.17 -0.04 1.67 1.65 3k9yA1 ARG 514 HD2 -0.01 -0.08 -0.07 -0.04 3.22 3.01 3k9yA1 ARG 514 HD3 -0.00 0.04 -0.14 -0.04 3.22 3.08