============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TYR 19 0.840 26.309 39.417 50.445 -99.200 -91.000 TYR 24 0.840 27.146 33.562 61.029 -99.200 -91.000 HIS 32 0.900 49.571 30.886 51.233 -99.200 -91.000 TRP 53 1.040 65.687 8.439 52.128 -99.200 -91.000 TRP6 53 1.020 66.288 10.682 51.652 -99.200 -91.000 HIS 54 0.900 63.851 8.421 59.283 -99.200 -91.000 TRP 56 1.040 56.748 9.771 52.061 -99.200 -91.000 TRP6 56 1.020 57.934 10.748 50.271 -99.200 -91.000 HIS 59 0.900 60.376 21.570 61.464 -99.200 -91.000 TYR 60 0.840 53.265 20.827 56.990 -99.200 -91.000 HIS 82 0.900 30.767 25.339 64.410 -99.200 -91.000 TYR 84 0.840 30.035 28.270 60.960 -99.200 -91.000 TRP 98 1.040 45.186 19.618 58.122 -99.200 -91.000 TRP6 98 1.020 47.508 19.524 57.712 -99.200 -91.000 HIS 99 0.900 49.191 24.058 56.790 -99.200 -91.000 TYR 111 0.840 38.581 24.420 64.233 -99.200 -91.000 PHE 116 1.000 32.246 31.022 50.029 -99.200 -91.000 PHE 128 1.000 29.032 30.730 56.576 -99.200 -91.000 PHE 147 1.000 54.837 16.520 52.199 -99.200 -91.000 TYR 154 0.840 64.277 22.764 48.338 -99.200 -91.000 TRP 161 1.040 72.615 24.461 41.632 -99.200 -91.000 TRP6 161 1.020 72.226 24.305 43.961 -99.200 -91.000 PHE 191 1.000 58.040 24.738 7.159 -99.200 -91.000 PHE 196 1.000 51.093 27.659 -1.921 -99.200 -91.000 TRP 197 1.040 54.044 30.137 -8.632 -99.200 -91.000 TRP6 197 1.020 54.196 32.355 -9.451 -99.200 -91.000 HIS 217 0.900 38.902 20.678 -8.417 -99.200 -91.000 PHE 223 1.000 46.164 25.931 -11.453 -99.200 -91.000 TYR 243 0.840 36.993 31.818 -17.962 -99.200 -91.000 PHE 261 1.000 35.322 33.489 27.994 -99.200 -91.000 PHE 276 1.000 43.510 42.892 29.562 -99.200 -91.000 TYR 289 0.840 35.913 33.950 44.495 -99.200 -91.000 TYR 293 0.840 31.852 43.867 41.511 -99.200 -91.000 TYR 296 0.840 37.873 29.196 43.205 -99.200 -91.000 TYR 315 0.840 20.289 41.799 30.282 -99.200 -91.000 PHE 320 1.000 20.016 41.554 23.675 -99.200 -91.000 TYR 324 0.840 17.629 38.619 18.832 -99.200 -91.000 TYR 332 0.840 26.783 25.931 25.891 -99.200 -91.000 HIS 335 0.900 34.139 21.882 41.027 -99.200 -91.000 TYR 361 0.840 30.916 42.090 35.228 -99.200 -91.000 TRP 365 1.040 26.749 41.096 31.302 -99.200 -91.000 TRP6 365 1.020 25.796 41.893 29.289 -99.200 -91.000 PHE 368 1.000 25.509 33.973 32.442 -99.200 -91.000 TYR 378 0.840 26.037 34.231 9.160 -99.200 -91.000 PHE 390 1.000 43.073 25.196 -16.429 -99.200 -91.000 PHE 401 1.000 17.560 35.943 14.864 -99.200 -91.000 TRP 404 1.040 26.015 33.468 18.137 -99.200 -91.000 TRP6 404 1.020 28.193 34.329 18.494 -99.200 -91.000 HIS 436 0.900 49.719 32.595 -2.520 -99.200 -91.000 PHE 437 1.000 54.073 33.768 0.518 -99.200 -91.000 PHE 444 1.000 53.417 25.585 22.061 -99.200 -91.000 TYR 464 0.840 45.680 24.934 32.917 -99.200 -91.000 TYR 476 0.840 65.636 26.181 32.687 -99.200 -91.000 PHE 484 1.000 56.214 31.065 26.484 -99.200 -91.000 TYR 485 0.840 61.356 34.189 19.653 -99.200 -91.000 PHE 501 1.000 66.963 13.043 36.580 -99.200 -91.000 TYR 507 0.840 55.582 16.043 26.016 -99.200 -91.000 PHE 509 1.000 55.562 6.597 32.546 -99.200 -91.000 HIS 523 0.900 39.031 6.733 51.462 -99.200 -91.000 TRP 527 1.040 49.018 10.990 52.674 -99.200 -91.000 TRP6 527 1.020 50.581 12.681 53.228 -99.200 -91.000 HIS 533 0.900 54.805 3.456 41.384 -99.200 -91.000 PHE 534 1.000 58.147 11.674 42.988 -99.200 -91.000 PHE 535 1.000 62.663 9.264 47.569 -99.200 -91.000 PHE 538 1.000 63.894 12.343 42.020 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1cy6A1 GLY 2 HA2 -0.01 -0.09 0.20 -0.51 4.01 3.60 1cy6A1 GLY 2 HA3 -0.01 -0.06 0.15 -0.51 4.01 3.58 1cy6A1 LYS 3 H -0.01 0.37 0.22 -0.55 8.42 8.45 1cy6A1 LYS 3 HA -0.06 0.13 1.10 -0.75 4.32 4.74 1cy6A1 LYS 3 HB2 -0.01 0.01 0.03 -0.04 1.87 1.86 1cy6A1 LYS 3 HB3 -0.04 0.16 0.02 -0.04 1.79 1.90 1cy6A1 LYS 3 HG2 -0.05 0.01 -0.14 -0.04 1.46 1.24 1cy6A1 LYS 3 HG3 -0.02 -0.06 -0.22 -0.04 1.46 1.11 1cy6A1 LYS 3 HD2 -0.04 0.18 -0.02 -0.04 1.69 1.77 1cy6A1 LYS 3 HD3 -0.03 -0.10 -0.07 -0.04 1.68 1.44 1cy6A1 LYS 3 HE2 -0.01 -0.04 -0.04 -0.04 2.99 2.87 1cy6A1 LYS 3 HE3 -0.01 0.05 -0.09 -0.04 2.99 2.91 1cy6A1 ALA 4 H -0.09 0.61 0.39 -0.55 8.40 8.77 1cy6A1 ALA 4 HA 0.15 0.06 0.82 -0.75 4.34 4.62 1cy6A1 ALA 4 HB3 0.23 -0.02 0.05 -0.04 1.41 1.63 1cy6A1 LEU 5 H 0.19 0.61 0.39 -0.55 8.37 9.01 1cy6A1 LEU 5 HA 0.12 0.29 1.01 -0.75 4.35 5.01 1cy6A1 LEU 5 HB2 0.07 0.12 0.01 -0.04 1.64 1.80 1cy6A1 LEU 5 HB3 0.08 0.02 0.25 -0.04 1.64 1.95 1cy6A1 LEU 5 HG 0.10 -0.09 -0.36 -0.04 1.64 1.25 1cy6A1 LEU 5 HD13 0.06 0.06 -0.08 -0.04 0.93 0.92 1cy6A1 LEU 5 HD23 0.05 -0.02 -0.16 -0.04 0.89 0.72 1cy6A1 VAL 6 H 0.15 0.33 0.01 -0.55 8.24 8.18 1cy6A1 VAL 6 HA 0.29 0.18 0.86 -0.75 4.13 4.71 1cy6A1 VAL 6 HB 0.07 -0.08 -0.02 -0.04 2.12 2.05 1cy6A1 VAL 6 HG13 0.24 -0.01 -0.17 -0.04 0.97 0.99 1cy6A1 VAL 6 HG23 0.04 0.00 -0.15 -0.04 0.95 0.80 1cy6A1 ILE 7 H 0.17 0.71 0.40 -0.55 8.25 8.98 1cy6A1 ILE 7 HA 0.08 0.35 1.19 -0.75 4.18 5.04 1cy6A1 ILE 7 HB 0.08 -0.08 0.14 -0.04 1.89 1.99 1cy6A1 ILE 7 HG12 0.07 0.09 -0.15 -0.04 1.49 1.45 1cy6A1 ILE 7 HG13 0.10 0.05 -0.30 -0.04 1.21 1.02 1cy6A1 ILE 7 HG23 0.03 -0.01 -0.10 -0.04 0.93 0.81 1cy6A1 ILE 7 HD13 0.07 -0.01 -0.10 -0.04 0.88 0.79 1cy6A1 VAL 8 H 0.05 0.44 0.22 -0.55 8.24 8.40 1cy6A1 VAL 8 HA 0.07 0.22 0.67 -0.75 4.13 4.34 1cy6A1 VAL 8 HB 0.07 -0.19 0.08 -0.04 2.12 2.04 1cy6A1 VAL 8 HG13 0.12 0.09 -0.22 -0.04 0.97 0.92 1cy6A1 VAL 8 HG23 0.03 -0.01 -0.24 -0.04 0.95 0.69 1cy6A1 GLU 9 H 0.04 0.15 0.13 -0.55 8.60 8.37 1cy6A1 GLU 9 HA -0.00 0.19 1.14 -0.75 4.29 4.87 1cy6A1 GLU 9 HB2 -0.06 0.01 0.13 -0.04 2.09 2.13 1cy6A1 GLU 9 HB3 -0.04 0.09 -0.02 -0.04 1.99 1.97 1cy6A1 GLU 9 HG2 0.03 -0.00 -0.05 -0.04 2.34 2.28 1cy6A1 GLU 9 HG3 -0.02 0.01 -0.01 -0.04 2.34 2.28 1cy6A1 SER 10 H 0.02 0.19 0.00 -0.55 8.46 8.13 1cy6A1 SER 10 HA 0.01 0.26 0.83 -0.75 4.49 4.83 1cy6A1 SER 10 HB2 0.02 0.09 0.11 -0.04 3.95 4.13 1cy6A1 SER 10 HB3 0.03 0.08 -0.21 -0.04 3.93 3.79 1cy6A1 PRO 11 HA -0.00 0.13 0.46 -0.51 4.44 4.52 1cy6A1 PRO 11 HB2 -0.00 0.02 0.11 -0.04 2.28 2.37 1cy6A1 PRO 11 HB3 -0.00 0.13 0.08 -0.04 2.02 2.19 1cy6A1 PRO 11 HG2 0.01 0.13 0.09 -0.04 2.03 2.22 1cy6A1 PRO 11 HG3 0.01 0.08 0.06 -0.04 2.03 2.13 1cy6A1 PRO 11 HD2 0.01 0.11 0.24 -0.04 3.68 4.00 1cy6A1 PRO 11 HD3 0.01 0.14 0.24 -0.04 3.65 4.00 1cy6A1 ALA 12 H 0.00 0.15 -0.03 -0.55 8.40 7.97 1cy6A1 ALA 12 HA -0.02 0.13 0.37 -0.75 4.34 4.06 1cy6A1 ALA 12 HB3 -0.01 0.02 0.02 -0.04 1.41 1.41 1cy6A1 LYS 13 H -0.00 -0.05 -0.39 -0.55 8.42 7.43 1cy6A1 LYS 13 HA -0.06 0.30 0.51 -0.75 4.32 4.31 1cy6A1 LYS 13 HB2 0.01 -0.04 0.07 -0.04 1.87 1.86 1cy6A1 LYS 13 HB3 0.02 -0.10 0.07 -0.04 1.79 1.74 1cy6A1 LYS 13 HG2 0.05 0.06 -0.15 -0.04 1.46 1.37 1cy6A1 LYS 13 HG3 -0.02 0.08 0.06 -0.04 1.46 1.55 1cy6A1 LYS 13 HD2 0.11 -0.03 0.01 -0.04 1.69 1.74 1cy6A1 LYS 13 HD3 0.09 -0.25 0.05 -0.04 1.68 1.52 1cy6A1 LYS 13 HE2 0.22 0.13 0.02 -0.04 2.99 3.31 1cy6A1 LYS 13 HE3 0.32 0.03 -0.04 -0.04 2.99 3.25 1cy6A1 ALA 14 H -0.01 0.32 -0.29 -0.55 8.40 7.87 1cy6A1 ALA 14 HA -0.01 0.02 0.35 -0.75 4.34 3.95 1cy6A1 ALA 14 HB3 -0.01 0.02 0.01 -0.04 1.41 1.39 1cy6A1 LYS 15 H -0.04 0.43 -0.16 -0.55 8.42 8.10 1cy6A1 LYS 15 HA -0.06 0.05 0.39 -0.75 4.32 3.95 1cy6A1 LYS 15 HB2 -0.04 0.00 0.11 -0.04 1.87 1.90 1cy6A1 LYS 15 HB3 -0.06 0.08 0.12 -0.04 1.79 1.89 1cy6A1 LYS 15 HG2 -0.07 0.01 -0.02 -0.04 1.46 1.34 1cy6A1 LYS 15 HG3 -0.05 -0.03 0.01 -0.04 1.46 1.36 1cy6A1 LYS 15 HD2 -0.06 0.04 -0.05 -0.04 1.69 1.58 1cy6A1 LYS 15 HD3 -0.05 -0.01 -0.03 -0.04 1.68 1.55 1cy6A1 LYS 15 HE2 -0.03 -0.01 -0.01 -0.04 2.99 2.90 1cy6A1 LYS 15 HE3 -0.03 -0.04 -0.02 -0.04 2.99 2.86 1cy6A1 THR 16 H -0.08 0.36 -0.11 -0.55 8.28 7.90 1cy6A1 THR 16 HA -0.15 0.05 0.37 -0.75 4.39 3.91 1cy6A1 THR 16 HB -0.10 0.03 0.10 -0.04 4.32 4.30 1cy6A1 THR 16 HG23 -0.05 -0.03 -0.19 -0.04 1.22 0.91 1cy6A1 ILE 17 H -0.07 0.47 -0.18 -0.55 8.25 7.91 1cy6A1 ILE 17 HA -0.01 0.04 0.37 -0.75 4.18 3.83 1cy6A1 ILE 17 HB -0.06 0.03 0.06 -0.04 1.89 1.88 1cy6A1 ILE 17 HG12 -0.14 0.00 -0.06 -0.04 1.49 1.25 1cy6A1 ILE 17 HG13 -0.15 -0.03 -0.00 -0.04 1.21 0.99 1cy6A1 ILE 17 HG23 -0.04 0.01 -0.14 -0.04 0.93 0.72 1cy6A1 ILE 17 HD13 0.04 -0.01 -0.10 -0.04 0.88 0.77 1cy6A1 ASN 18 H -0.12 0.36 -0.55 -0.55 8.53 7.68 1cy6A1 ASN 18 HA -0.12 0.04 0.47 -0.75 4.76 4.39 1cy6A1 ASN 18 HB2 -0.09 0.25 0.19 -0.04 2.88 3.18 1cy6A1 ASN 18 HB3 -0.11 -0.02 -0.02 -0.04 2.79 2.60 1cy6A1 ASN 18 HD21 -0.03 -0.03 0.03 -0.04 7.03 6.96 1cy6A1 ASN 18 HD22 -0.05 0.07 -0.03 -0.04 7.74 7.70 1cy6A1 LYS 19 H -0.35 0.38 -0.35 -0.55 8.42 7.54 1cy6A1 LYS 19 HA -0.30 0.08 0.48 -0.75 4.32 3.83 1cy6A1 LYS 19 HB2 -1.13 0.16 0.05 -0.04 1.87 0.91 1cy6A1 LYS 19 HB3 -0.71 -0.09 0.13 -0.04 1.79 1.08 1cy6A1 LYS 19 HG2 -0.24 -0.02 0.01 -0.04 1.46 1.16 1cy6A1 LYS 19 HG3 -0.29 0.09 0.06 -0.04 1.46 1.29 1cy6A1 LYS 19 HD2 -0.20 -0.04 0.03 -0.04 1.69 1.44 1cy6A1 LYS 19 HD3 -0.15 -0.03 0.01 -0.04 1.68 1.46 1cy6A1 LYS 19 HE2 -0.40 -0.01 0.02 -0.04 2.99 2.56 1cy6A1 LYS 19 HE3 -0.10 -0.05 0.02 -0.04 2.99 2.81 1cy6A1 TYR 20 H -0.23 0.29 -0.68 -0.55 8.29 7.11 1cy6A1 TYR 20 HA -0.10 0.16 0.83 -0.75 4.56 4.70 1cy6A1 TYR 20 HB2 -0.19 0.07 -0.07 -0.04 3.06 2.83 1cy6A1 TYR 20 HB3 -0.13 -0.07 0.11 -0.04 2.98 2.85 1cy6A1 TYR 20 HD2 -0.12 0.03 -0.13 -0.04 7.15 6.90 1cy6A1 TYR 20 HE2 -0.09 0.05 -0.10 -0.04 6.85 6.67 1cy6A1 LEU 21 H -0.13 0.35 -0.13 -0.55 8.37 7.92 1cy6A1 LEU 21 HA -0.22 0.07 0.92 -0.75 4.35 4.37 1cy6A1 LEU 21 HB2 -0.18 0.04 0.12 -0.04 1.64 1.58 1cy6A1 LEU 21 HB3 -0.30 -0.02 -0.03 -0.04 1.64 1.25 1cy6A1 LEU 21 HG -0.35 0.10 -0.25 -0.04 1.64 1.09 1cy6A1 LEU 21 HD13 -0.43 -0.04 -0.15 -0.04 0.93 0.28 1cy6A1 LEU 21 HD23 -1.32 0.02 -0.05 -0.04 0.89 -0.50 1cy6A1 GLY 22 H 0.14 0.09 0.07 -0.55 8.43 8.19 1cy6A1 GLY 22 HA2 0.02 0.09 0.29 -0.51 4.01 3.90 1cy6A1 GLY 22 HA3 0.07 -0.04 0.37 -0.51 4.01 3.89 1cy6A1 SER 23 H -0.01 0.09 0.18 -0.55 8.46 8.18 1cy6A1 SER 23 HA -0.01 0.17 0.47 -0.75 4.49 4.36 1cy6A1 SER 23 HB2 -0.03 -0.02 0.08 -0.04 3.95 3.93 1cy6A1 SER 23 HB3 -0.02 0.05 0.09 -0.04 3.93 4.00 1cy6A1 ASP 24 H -0.10 -0.03 -0.15 -0.55 8.40 7.57 1cy6A1 ASP 24 HA -0.11 0.16 0.49 -0.75 4.63 4.41 1cy6A1 ASP 24 HB2 -0.33 -0.00 0.15 -0.04 2.71 2.49 1cy6A1 ASP 24 HB3 -0.15 0.06 0.13 -0.04 2.70 2.70 1cy6A1 TYR 25 H -0.00 0.37 -0.61 -0.55 8.29 7.50 1cy6A1 TYR 25 HA -0.03 0.19 0.95 -0.75 4.56 4.91 1cy6A1 TYR 25 HB2 -0.13 0.15 -0.09 -0.04 3.06 2.95 1cy6A1 TYR 25 HB3 -0.13 -0.06 -0.11 -0.04 2.98 2.64 1cy6A1 TYR 25 HD2 -0.15 -0.05 -0.10 -0.04 7.15 6.80 1cy6A1 TYR 25 HE2 -0.30 -0.01 -0.05 -0.04 6.85 6.45 1cy6A1 VAL 26 H 0.13 0.50 0.23 -0.55 8.24 8.56 1cy6A1 VAL 26 HA 0.04 0.14 0.91 -0.75 4.13 4.47 1cy6A1 VAL 26 HB 0.05 0.06 0.18 -0.04 2.12 2.36 1cy6A1 VAL 26 HG13 0.02 -0.02 -0.09 -0.04 0.97 0.85 1cy6A1 VAL 26 HG23 0.02 0.00 -0.21 -0.04 0.95 0.72 1cy6A1 VAL 27 H 0.02 0.16 0.06 -0.55 8.24 7.93 1cy6A1 VAL 27 HA 0.05 0.33 0.75 -0.75 4.13 4.50 1cy6A1 VAL 27 HB -0.01 0.01 0.03 -0.04 2.12 2.11 1cy6A1 VAL 27 HG13 0.02 -0.02 -0.14 -0.04 0.97 0.78 1cy6A1 VAL 27 HG23 -0.04 0.01 -0.11 -0.04 0.95 0.76 1cy6A1 LYS 28 H 0.05 0.51 0.36 -0.55 8.42 8.79 1cy6A1 LYS 28 HA 0.02 0.03 0.68 -0.75 4.32 4.29 1cy6A1 LYS 28 HB2 0.03 0.12 -0.26 -0.04 1.87 1.72 1cy6A1 LYS 28 HB3 0.04 0.00 -0.01 -0.04 1.79 1.79 1cy6A1 LYS 28 HG2 0.02 -0.01 -0.11 -0.04 1.46 1.32 1cy6A1 LYS 28 HG3 0.02 0.10 -0.06 -0.04 1.46 1.47 1cy6A1 LYS 28 HD2 0.02 0.05 -0.03 -0.04 1.69 1.69 1cy6A1 LYS 28 HD3 0.01 -0.04 -0.02 -0.04 1.68 1.59 1cy6A1 LYS 28 HE2 0.01 0.13 0.19 -0.04 2.99 3.28 1cy6A1 LYS 28 HE3 0.01 -0.01 0.04 -0.04 2.99 2.98 1cy6A1 SER 29 H 0.01 0.14 0.09 -0.55 8.46 8.16 1cy6A1 SER 29 HA 0.02 0.31 0.71 -0.75 4.49 4.78 1cy6A1 SER 29 HB2 0.01 -0.19 -0.43 -0.04 3.95 3.30 1cy6A1 SER 29 HB3 0.01 0.10 -0.26 -0.04 3.93 3.74 1cy6A1 SER 30 H 0.01 0.18 0.16 -0.55 8.46 8.25 1cy6A1 SER 30 HA 0.01 0.23 0.77 -0.75 4.49 4.75 1cy6A1 SER 30 HB2 -0.01 -0.01 0.13 -0.04 3.95 4.02 1cy6A1 SER 30 HB3 0.00 0.05 -0.01 -0.04 3.93 3.93 1cy6A1 VAL 31 H 0.01 -0.05 -0.36 -0.55 8.24 7.29 1cy6A1 VAL 31 HA 0.01 -0.04 0.33 -0.75 4.13 3.68 1cy6A1 VAL 31 HB 0.02 0.01 0.19 -0.04 2.12 2.29 1cy6A1 VAL 31 HG13 0.01 -0.02 -0.02 -0.04 0.97 0.90 1cy6A1 VAL 31 HG23 0.01 0.03 -0.29 -0.04 0.95 0.66 1cy6A1 GLY 32 H -0.02 0.10 -0.20 -0.55 8.43 7.76 1cy6A1 GLY 32 HA2 0.01 -0.09 0.30 -0.51 4.01 3.72 1cy6A1 GLY 32 HA3 0.06 0.26 0.99 -0.51 4.01 4.81 1cy6A1 HIS 33 H 0.30 0.14 0.13 -0.55 8.41 8.43 1cy6A1 HIS 33 HA -0.02 0.02 0.62 -0.75 4.63 4.49 1cy6A1 HIS 33 HB2 -0.02 0.04 0.13 -0.04 3.26 3.38 1cy6A1 HIS 33 HB3 -0.06 0.11 0.01 -0.04 3.20 3.22 1cy6A1 HIS 33 HD2 -0.01 0.03 0.02 -0.04 6.97 6.97 1cy6A1 HIS 33 HE1 0.02 -0.02 -0.00 -0.04 7.75 7.71 1cy6A1 ILE 34 H -0.02 0.14 0.20 -0.55 8.25 8.02 1cy6A1 ILE 34 HA 0.00 0.12 0.42 -0.75 4.18 3.97 1cy6A1 ILE 34 HB -0.04 -0.04 0.07 -0.04 1.89 1.84 1cy6A1 ILE 34 HG12 -0.02 0.07 0.07 -0.04 1.49 1.57 1cy6A1 ILE 34 HG13 -0.02 0.01 -0.01 -0.04 1.21 1.16 1cy6A1 ILE 34 HG23 -0.02 -0.00 -0.14 -0.04 0.93 0.72 1cy6A1 ILE 34 HD13 0.00 0.00 -0.07 -0.04 0.88 0.78 1cy6A1 ARG 35 H -0.13 0.12 -0.02 -0.55 8.46 7.87 1cy6A1 ARG 35 HA -0.03 0.23 0.72 -0.75 4.34 4.50 1cy6A1 ARG 35 HB2 -0.06 0.03 -0.28 -0.04 1.90 1.54 1cy6A1 ARG 35 HB3 -0.27 -0.04 -0.06 -0.04 1.80 1.38 1cy6A1 ARG 35 HG2 0.02 0.00 -0.15 -0.04 1.67 1.51 1cy6A1 ARG 35 HG3 0.04 -0.04 -0.28 -0.04 1.67 1.35 1cy6A1 ARG 35 HD2 0.09 0.02 -0.19 -0.04 3.22 3.09 1cy6A1 ARG 35 HD3 -0.01 0.04 -0.14 -0.04 3.22 3.07 1cy6A1 ASP 36 H 0.05 0.45 0.18 -0.55 8.40 8.53 1cy6A1 ASP 36 HA 0.09 -0.01 0.38 -0.75 4.63 4.34 1cy6A1 ASP 36 HB2 -0.03 0.10 -0.05 -0.04 2.71 2.69 1cy6A1 ASP 36 HB3 0.02 0.08 -0.18 -0.04 2.70 2.58 1cy6A1 LEU 37 H 0.20 0.03 0.13 -0.55 8.37 8.18 1cy6A1 LEU 37 HA 0.13 0.16 0.57 -0.75 4.35 4.45 1cy6A1 LEU 37 HB2 0.11 -0.11 0.11 -0.04 1.64 1.70 1cy6A1 LEU 37 HB3 0.03 0.30 0.13 -0.04 1.64 2.06 1cy6A1 LEU 37 HG 0.33 -0.18 0.04 -0.04 1.64 1.78 1cy6A1 LEU 37 HD13 0.18 0.02 -0.03 -0.04 0.93 1.06 1cy6A1 LEU 37 HD23 -0.07 0.02 -0.01 -0.04 0.89 0.80 1cy6A1 PRO 38 HA 0.05 -0.03 0.40 -0.51 4.44 4.35 1cy6A1 PRO 38 HB2 0.02 0.01 0.01 -0.04 2.28 2.29 1cy6A1 PRO 38 HB3 -0.01 -0.01 0.13 -0.04 2.02 2.09 1cy6A1 PRO 38 HG2 -0.03 0.17 -0.04 -0.04 2.03 2.09 1cy6A1 PRO 38 HG3 -0.06 0.08 -0.11 -0.04 2.03 1.89 1cy6A1 PRO 38 HD2 -0.01 0.08 0.29 -0.04 3.68 4.00 1cy6A1 PRO 38 HD3 0.03 0.28 0.29 -0.04 3.65 4.20 1cy6A1 THR 39 H 0.05 0.10 0.09 -0.55 8.28 7.97 1cy6A1 THR 39 HA 0.06 -0.01 0.22 -0.75 4.39 3.90 1cy6A1 THR 39 HB 0.14 0.39 0.22 -0.04 4.32 5.03 1cy6A1 THR 39 HG23 0.09 -0.03 0.06 -0.04 1.22 1.31 1cy6A1 ASP 62 HA -0.20 -0.01 0.13 -0.75 4.63 3.79 1cy6A1 ASP 62 HB2 0.28 -0.03 0.09 -0.04 2.71 3.00 1cy6A1 ASP 62 HB3 0.03 0.02 0.09 -0.04 2.70 2.80 1cy6A1 GLU 63 H -0.62 0.17 0.11 -0.55 8.60 7.71 1cy6A1 GLU 63 HA -2.08 0.23 0.99 -0.75 4.29 2.69 1cy6A1 GLU 63 HB2 -0.82 -0.12 -0.03 -0.04 2.09 1.07 1cy6A1 GLU 63 HB3 -2.25 0.04 -0.12 -0.04 1.99 -0.38 1cy6A1 GLU 63 HG2 -0.50 0.11 0.03 -0.04 2.34 1.94 1cy6A1 GLU 63 HG3 -0.33 -0.05 -0.12 -0.04 2.34 1.80 1cy6A1 ARG 64 H -0.52 0.20 0.10 -0.55 8.46 7.68 1cy6A1 ARG 64 HA -0.16 0.22 0.92 -0.75 4.34 4.56 1cy6A1 ARG 64 HB2 -0.11 0.18 -0.07 -0.04 1.90 1.85 1cy6A1 ARG 64 HB3 -0.03 -0.02 0.19 -0.04 1.80 1.90 1cy6A1 ARG 64 HG2 0.00 0.14 0.02 -0.04 1.67 1.79 1cy6A1 ARG 64 HG3 -0.01 -0.37 -0.07 -0.04 1.67 1.18 1cy6A1 ARG 64 HD2 -0.07 0.14 0.10 -0.04 3.22 3.34 1cy6A1 ARG 64 HD3 -0.02 0.10 0.02 -0.04 3.22 3.27 1cy6A1 GLY 65 H -0.08 0.28 0.08 -0.55 8.43 8.16 1cy6A1 GLY 65 HA2 -0.02 0.04 0.31 -0.51 4.01 3.83 1cy6A1 GLY 65 HA3 -0.03 0.12 0.29 -0.51 4.01 3.87 1cy6A1 ALA 66 H -0.01 0.04 -0.41 -0.55 8.40 7.48 1cy6A1 ALA 66 HA 0.02 0.09 0.34 -0.75 4.34 4.03 1cy6A1 ALA 66 HB3 0.02 0.01 0.02 -0.04 1.41 1.43 1cy6A1 LEU 67 H 0.05 0.10 -0.17 -0.55 8.37 7.81 1cy6A1 LEU 67 HA 0.12 0.09 0.36 -0.75 4.35 4.16 1cy6A1 LEU 67 HB2 0.11 -0.07 0.18 -0.04 1.64 1.82 1cy6A1 LEU 67 HB3 0.22 -0.04 0.13 -0.04 1.64 1.91 1cy6A1 LEU 67 HG 0.16 0.04 0.05 -0.04 1.64 1.85 1cy6A1 LEU 67 HD13 0.33 0.00 0.04 -0.04 0.93 1.26 1cy6A1 LEU 67 HD23 0.19 0.01 0.04 -0.04 0.89 1.09 1cy6A1 VAL 68 H 0.11 0.36 -0.15 -0.55 8.24 8.01 1cy6A1 VAL 68 HA 0.06 0.09 1.31 -0.75 4.13 4.84 1cy6A1 VAL 68 HB 0.03 0.05 0.05 -0.04 2.12 2.21 1cy6A1 VAL 68 HG13 -0.01 0.02 -0.25 -0.04 0.97 0.69 1cy6A1 VAL 68 HG23 0.22 0.00 0.05 -0.04 0.95 1.19 1cy6A1 ASN 69 H 0.01 0.47 -0.28 -0.55 8.53 8.18 1cy6A1 ASN 69 HA -0.07 -0.01 0.36 -0.75 4.76 4.28 1cy6A1 ASN 69 HB2 -0.00 0.12 0.07 -0.04 2.88 3.03 1cy6A1 ASN 69 HB3 -0.05 -0.03 0.01 -0.04 2.79 2.68 1cy6A1 ASN 69 HD21 -0.02 -0.10 -0.05 -0.04 7.03 6.82 1cy6A1 ASN 69 HD22 -0.02 -0.02 -0.03 -0.04 7.74 7.63 1cy6A1 ARG 70 H 0.04 0.37 -0.18 -0.55 8.46 8.13 1cy6A1 ARG 70 HA 0.06 0.02 0.49 -0.75 4.34 4.16 1cy6A1 ARG 70 HB2 0.18 0.08 0.17 -0.04 1.90 2.29 1cy6A1 ARG 70 HB3 0.25 -0.05 0.03 -0.04 1.80 2.00 1cy6A1 ARG 70 HG2 0.08 -0.06 0.02 -0.04 1.67 1.66 1cy6A1 ARG 70 HG3 0.09 0.26 0.10 -0.04 1.67 2.08 1cy6A1 ARG 70 HD2 0.14 -0.02 0.01 -0.04 3.22 3.31 1cy6A1 ARG 70 HD3 0.09 -0.05 -0.01 -0.04 3.22 3.21 1cy6A1 MET 71 H -0.00 0.48 0.06 -0.55 8.47 8.46 1cy6A1 MET 71 HA -0.54 0.02 0.50 -0.75 4.52 3.75 1cy6A1 MET 71 HB2 -0.10 0.04 0.40 -0.04 2.15 2.45 1cy6A1 MET 71 HB3 -0.22 -0.08 -0.06 -0.04 2.03 1.63 1cy6A1 MET 71 HG2 -0.29 -0.01 0.03 -0.04 2.63 2.32 1cy6A1 MET 71 HG3 0.05 0.06 0.20 -0.04 2.56 2.83 1cy6A1 MET 71 HE3 0.04 -0.01 -0.24 -0.04 2.10 1.84 1cy6A1 GLY 72 H -0.09 0.88 0.13 -0.55 8.43 8.81 1cy6A1 GLY 72 HA2 -0.10 0.02 0.32 -0.51 4.01 3.74 1cy6A1 GLY 72 HA3 -0.09 0.13 0.64 -0.51 4.01 4.18 1cy6A1 VAL 73 H -0.15 0.31 0.03 -0.55 8.24 7.89 1cy6A1 VAL 73 HA -0.29 0.18 0.51 -0.75 4.13 3.77 1cy6A1 VAL 73 HB -0.42 0.11 -0.46 -0.04 2.12 1.31 1cy6A1 VAL 73 HG13 -0.25 -0.03 -0.26 -0.04 0.97 0.38 1cy6A1 VAL 73 HG23 -1.43 -0.03 -0.12 -0.04 0.95 -0.67 1cy6A1 ASP 74 H -0.20 0.58 -0.02 -0.55 8.40 8.21 1cy6A1 ASP 74 HA -0.15 0.26 1.01 -0.75 4.63 5.00 1cy6A1 ASP 74 HB2 -0.04 0.11 -0.02 -0.04 2.71 2.72 1cy6A1 ASP 74 HB3 -0.07 -0.02 0.21 -0.04 2.70 2.78 1cy6A1 PRO 75 HA -2.67 0.02 0.33 -0.51 4.44 1.61 1cy6A1 PRO 75 HB2 -2.84 0.08 0.03 -0.04 2.28 -0.50 1cy6A1 PRO 75 HB3 -1.92 0.03 -0.00 -0.04 2.02 0.09 1cy6A1 PRO 75 HG2 -2.60 0.05 -0.05 -0.04 2.03 -0.62 1cy6A1 PRO 75 HG3 -1.22 0.09 -0.03 -0.04 2.03 0.83 1cy6A1 PRO 75 HD2 -0.36 0.10 0.23 -0.04 3.68 3.61 1cy6A1 PRO 75 HD3 -0.56 0.24 -0.16 -0.04 3.65 3.14 1cy6A1 TRP 76 H -0.23 -0.00 -0.66 -0.55 7.97 6.53 1cy6A1 TRP 76 HA -0.34 0.27 0.87 -0.75 4.62 4.66 1cy6A1 TRP 76 HB2 -0.13 -0.07 -0.07 -0.04 3.23 2.92 1cy6A1 TRP 76 HB3 -0.22 0.06 0.01 -0.04 3.23 3.03 1cy6A1 TRP 76 HD1 -0.03 0.01 -0.07 -0.04 7.22 7.09 1cy6A1 TRP 76 HE1 0.16 0.05 -0.08 -0.04 10.20 10.28 1cy6A1 TRP 76 HE3 -0.13 -0.06 -0.03 -0.04 7.59 7.32 1cy6A1 TRP 76 HZ2 0.20 0.07 0.06 -0.04 7.44 7.73 1cy6A1 TRP 76 HZ3 -0.05 -0.03 0.10 -0.04 7.13 7.11 1cy6A1 TRP 76 HH2 0.09 0.02 0.06 -0.04 7.19 7.32 1cy6A1 HIS 77 H -0.12 0.22 -0.17 -0.55 8.41 7.80 1cy6A1 HIS 77 HA -0.05 0.24 0.80 -0.75 4.63 4.87 1cy6A1 HIS 77 HB2 -0.06 -0.05 0.14 -0.04 3.26 3.25 1cy6A1 HIS 77 HB3 -0.03 0.04 0.16 -0.04 3.20 3.33 1cy6A1 HIS 77 HD2 -0.00 0.01 0.00 -0.04 6.97 6.94 1cy6A1 HIS 77 HE1 -0.03 -0.01 -0.09 -0.04 7.75 7.58 1cy6A1 ASN 78 H -0.23 0.23 -0.37 -0.55 8.53 7.60 1cy6A1 ASN 78 HA -0.18 0.04 0.19 -0.75 4.76 4.07 1cy6A1 ASN 78 HB2 -0.00 -0.01 -0.20 -0.04 2.88 2.63 1cy6A1 ASN 78 HB3 0.04 0.07 0.06 -0.04 2.79 2.92 1cy6A1 ASN 78 HD21 0.02 -0.05 -0.03 -0.04 7.03 6.92 1cy6A1 ASN 78 HD22 0.04 0.02 0.00 -0.04 7.74 7.76 1cy6A1 TRP 79 H -0.77 0.19 -0.25 -0.55 7.97 6.60 1cy6A1 TRP 79 HA -0.24 -0.03 -0.04 -0.75 4.62 3.56 1cy6A1 TRP 79 HB2 -0.28 0.13 -0.03 -0.04 3.23 3.00 1cy6A1 TRP 79 HB3 -0.17 -0.03 -0.00 -0.04 3.23 2.99 1cy6A1 TRP 79 HD1 -0.27 0.04 -0.42 -0.04 7.22 6.53 1cy6A1 TRP 79 HE1 -0.18 0.04 -0.12 -0.04 10.20 9.91 1cy6A1 TRP 79 HE3 -0.30 0.01 -0.19 -0.04 7.59 7.07 1cy6A1 TRP 79 HZ2 -0.16 0.08 -0.26 -0.04 7.44 7.06 1cy6A1 TRP 79 HZ3 -0.26 0.02 -0.14 -0.04 7.13 6.72 1cy6A1 TRP 79 HH2 -0.32 0.02 -0.04 -0.04 7.19 6.81 1cy6A1 GLU 80 H -0.04 0.24 -0.09 -0.55 8.60 8.16 1cy6A1 GLU 80 HA 0.11 0.05 0.47 -0.75 4.29 4.17 1cy6A1 GLU 80 HB2 0.04 0.12 0.11 -0.04 2.09 2.32 1cy6A1 GLU 80 HB3 -0.00 -0.11 0.08 -0.04 1.99 1.92 1cy6A1 GLU 80 HG2 0.02 -0.04 -0.03 -0.04 2.34 2.25 1cy6A1 GLU 80 HG3 0.05 0.16 -0.06 -0.04 2.34 2.44 1cy6A1 ALA 81 H 0.12 0.11 0.21 -0.55 8.40 8.30 1cy6A1 ALA 81 HA -0.14 0.22 0.89 -0.75 4.34 4.55 1cy6A1 ALA 81 HB3 -0.10 -0.00 0.05 -0.04 1.41 1.32 1cy6A1 HIS 82 H -0.16 0.50 0.07 -0.55 8.41 8.27 1cy6A1 HIS 82 HA -0.02 0.12 0.84 -0.75 4.63 4.82 1cy6A1 HIS 82 HB2 -0.05 -0.06 -0.22 -0.04 3.26 2.89 1cy6A1 HIS 82 HB3 -0.07 0.02 0.18 -0.04 3.20 3.29 1cy6A1 HIS 82 HD2 -0.01 -0.06 -0.03 -0.04 6.97 6.83 1cy6A1 HIS 82 HE1 0.03 -0.04 -0.02 -0.04 7.75 7.67 1cy6A1 TYR 83 H 0.06 0.04 -0.03 -0.55 8.29 7.80 1cy6A1 TYR 83 HA 0.16 0.21 0.42 -0.75 4.56 4.60 1cy6A1 TYR 83 HB2 0.10 -0.00 -0.05 -0.04 3.06 3.07 1cy6A1 TYR 83 HB3 0.12 -0.09 0.01 -0.04 2.98 2.97 1cy6A1 TYR 83 HD2 0.21 -0.00 -0.17 -0.04 7.15 7.15 1cy6A1 TYR 83 HE2 0.44 -0.01 -0.06 -0.04 6.85 7.18 1cy6A1 GLU 84 H 0.21 0.16 0.18 -0.55 8.60 8.60 1cy6A1 GLU 84 HA 0.09 -0.03 0.41 -0.75 4.29 4.00 1cy6A1 GLU 84 HB2 0.11 -0.02 0.01 -0.04 2.09 2.15 1cy6A1 GLU 84 HB3 0.20 0.21 0.07 -0.04 1.99 2.43 1cy6A1 GLU 84 HG2 0.16 0.04 -0.22 -0.04 2.34 2.28 1cy6A1 GLU 84 HG3 0.10 0.01 -0.18 -0.04 2.34 2.23 1cy6A1 VAL 85 H 0.04 0.09 0.12 -0.55 8.24 7.94 1cy6A1 VAL 85 HA 0.01 0.18 0.53 -0.75 4.13 4.11 1cy6A1 VAL 85 HB 0.01 -0.01 0.13 -0.04 2.12 2.20 1cy6A1 VAL 85 HG13 0.03 -0.01 0.00 -0.04 0.97 0.95 1cy6A1 VAL 85 HG23 0.01 0.04 -0.09 -0.04 0.95 0.87 1cy6A1 LEU 86 H 0.02 0.45 0.25 -0.55 8.37 8.55 1cy6A1 LEU 86 HA 0.03 0.15 0.47 -0.75 4.35 4.26 1cy6A1 LEU 86 HB2 0.03 0.08 0.07 -0.04 1.64 1.78 1cy6A1 LEU 86 HB3 0.03 0.02 0.05 -0.04 1.64 1.69 1cy6A1 LEU 86 HG 0.02 -0.13 -0.25 -0.04 1.64 1.23 1cy6A1 LEU 86 HD13 0.03 0.12 -0.04 -0.04 0.93 1.00 1cy6A1 LEU 86 HD23 0.03 0.01 -0.06 -0.04 0.89 0.83 1cy6A1 PRO 87 HA 0.02 -0.05 0.44 -0.51 4.44 4.34 1cy6A1 PRO 87 HB2 0.02 0.02 0.10 -0.04 2.28 2.38 1cy6A1 PRO 87 HB3 0.02 0.01 0.08 -0.04 2.02 2.09 1cy6A1 PRO 87 HG2 0.02 0.07 0.10 -0.04 2.03 2.18 1cy6A1 PRO 87 HG3 0.03 0.04 0.12 -0.04 2.03 2.18 1cy6A1 PRO 87 HD2 0.03 0.11 0.18 -0.04 3.68 3.95 1cy6A1 PRO 87 HD3 0.03 0.20 0.21 -0.04 3.65 4.05 1cy6A1 GLY 88 H 0.02 0.12 0.19 -0.55 8.43 8.21 1cy6A1 GLY 88 HA2 0.01 -0.03 0.38 -0.51 4.01 3.87 1cy6A1 GLY 88 HA3 0.01 0.07 0.37 -0.51 4.01 3.95 1cy6A1 LYS 89 H 0.02 0.57 -0.31 -0.55 8.42 8.14 1cy6A1 LYS 89 HA 0.01 0.14 0.83 -0.75 4.32 4.55 1cy6A1 LYS 89 HB2 0.02 0.29 0.04 -0.04 1.87 2.17 1cy6A1 LYS 89 HB3 0.01 -0.11 0.09 -0.04 1.79 1.74 1cy6A1 LYS 89 HG2 0.02 0.18 -0.19 -0.04 1.46 1.43 1cy6A1 LYS 89 HG3 0.03 0.09 -0.06 -0.04 1.46 1.47 1cy6A1 LYS 89 HD2 0.02 -0.05 -0.05 -0.04 1.69 1.57 1cy6A1 LYS 89 HD3 0.02 -0.06 0.06 -0.04 1.68 1.65 1cy6A1 LYS 89 HE2 0.03 0.00 -0.06 -0.04 2.99 2.92 1cy6A1 LYS 89 HE3 0.03 0.02 -0.13 -0.04 2.99 2.87 1cy6A1 GLU 90 H 0.01 0.12 -0.11 -0.55 8.60 8.08 1cy6A1 GLU 90 HA 0.01 0.08 0.32 -0.75 4.29 3.95 1cy6A1 GLU 90 HB2 0.01 0.04 0.08 -0.04 2.09 2.18 1cy6A1 GLU 90 HB3 0.01 0.01 -0.02 -0.04 1.99 1.94 1cy6A1 GLU 90 HG2 0.01 0.03 0.01 -0.04 2.34 2.35 1cy6A1 GLU 90 HG3 0.01 0.01 -0.02 -0.04 2.34 2.30 1cy6A1 LYS 91 H 0.01 0.13 -0.69 -0.55 8.42 7.32 1cy6A1 LYS 91 HA 0.01 0.14 0.58 -0.75 4.32 4.29 1cy6A1 LYS 91 HB2 0.01 0.06 0.00 -0.04 1.87 1.90 1cy6A1 LYS 91 HB3 0.01 0.03 0.02 -0.04 1.79 1.81 1cy6A1 LYS 91 HG2 0.01 -0.02 -0.11 -0.04 1.46 1.29 1cy6A1 LYS 91 HG3 0.01 0.04 -0.08 -0.04 1.46 1.39 1cy6A1 LYS 91 HD2 0.01 0.00 -0.01 -0.04 1.69 1.64 1cy6A1 LYS 91 HD3 0.01 -0.01 -0.01 -0.04 1.68 1.62 1cy6A1 LYS 91 HE2 0.01 -0.01 0.01 -0.04 2.99 2.96 1cy6A1 LYS 91 HE3 0.01 0.11 0.03 -0.04 2.99 3.10 1cy6A1 VAL 92 H 0.01 0.28 -0.02 -0.55 8.24 7.97 1cy6A1 VAL 92 HA 0.01 0.07 0.44 -0.75 4.13 3.89 1cy6A1 VAL 92 HB 0.01 0.11 0.09 -0.04 2.12 2.28 1cy6A1 VAL 92 HG13 0.01 0.01 -0.07 -0.04 0.97 0.87 1cy6A1 VAL 92 HG23 0.01 0.01 0.02 -0.04 0.95 0.94 1cy6A1 VAL 93 H 0.00 0.36 -0.20 -0.55 8.24 7.86 1cy6A1 VAL 93 HA -0.00 0.05 0.32 -0.75 4.13 3.75 1cy6A1 VAL 93 HB 0.00 0.11 -0.00 -0.04 2.12 2.19 1cy6A1 VAL 93 HG13 -0.01 0.00 -0.10 -0.04 0.97 0.83 1cy6A1 VAL 93 HG23 -0.00 0.05 -0.03 -0.04 0.95 0.93 1cy6A1 SER 94 H 0.01 0.19 -0.55 -0.55 8.46 7.56 1cy6A1 SER 94 HA 0.00 0.05 0.43 -0.75 4.49 4.22 1cy6A1 SER 94 HB2 0.01 0.18 0.17 -0.04 3.95 4.26 1cy6A1 SER 94 HB3 0.01 -0.05 0.06 -0.04 3.93 3.90 1cy6A1 GLU 95 H 0.01 0.39 -0.06 -0.55 8.60 8.39 1cy6A1 GLU 95 HA 0.01 0.02 0.39 -0.75 4.29 3.95 1cy6A1 GLU 95 HB2 0.01 0.02 0.13 -0.04 2.09 2.21 1cy6A1 GLU 95 HB3 0.01 0.07 0.07 -0.04 1.99 2.10 1cy6A1 GLU 95 HG2 0.01 0.02 -0.00 -0.04 2.34 2.32 1cy6A1 GLU 95 HG3 0.01 -0.02 0.06 -0.04 2.34 2.35 1cy6A1 LEU 96 H 0.01 0.40 -0.41 -0.55 8.37 7.82 1cy6A1 LEU 96 HA 0.02 0.08 0.55 -0.75 4.35 4.24 1cy6A1 LEU 96 HB2 0.01 0.09 0.12 -0.04 1.64 1.81 1cy6A1 LEU 96 HB3 0.02 -0.01 -0.07 -0.04 1.64 1.54 1cy6A1 LEU 96 HG 0.01 0.05 -0.06 -0.04 1.64 1.60 1cy6A1 LEU 96 HD13 0.01 -0.03 -0.09 -0.04 0.93 0.78 1cy6A1 LEU 96 HD23 0.03 0.00 -0.10 -0.04 0.89 0.77 1cy6A1 LYS 97 H 0.01 0.48 -0.00 -0.55 8.42 8.36 1cy6A1 LYS 97 HA 0.02 0.05 0.38 -0.75 4.32 4.02 1cy6A1 LYS 97 HB2 0.01 0.07 0.18 -0.04 1.87 2.09 1cy6A1 LYS 97 HB3 0.01 -0.03 0.01 -0.04 1.79 1.74 1cy6A1 LYS 97 HG2 0.01 0.03 0.10 -0.04 1.46 1.56 1cy6A1 LYS 97 HG3 0.00 0.16 0.10 -0.04 1.46 1.69 1cy6A1 LYS 97 HD2 0.00 -0.07 0.01 -0.04 1.69 1.59 1cy6A1 LYS 97 HD3 0.00 -0.03 0.03 -0.04 1.68 1.65 1cy6A1 LYS 97 HE2 -0.00 0.24 0.07 -0.04 2.99 3.26 1cy6A1 LYS 97 HE3 -0.00 -0.08 -0.03 -0.04 2.99 2.84 1cy6A1 GLN 98 H 0.01 0.32 -0.29 -0.55 8.47 7.96 1cy6A1 GLN 98 HA 0.00 0.05 0.47 -0.75 4.36 4.13 1cy6A1 GLN 98 HB2 0.00 -0.03 0.02 -0.04 2.15 2.11 1cy6A1 GLN 98 HB3 0.01 -0.01 0.07 -0.04 2.02 2.04 1cy6A1 GLN 98 HG2 0.01 0.10 -0.01 -0.04 2.40 2.45 1cy6A1 GLN 98 HG3 0.01 0.03 -0.09 -0.04 2.39 2.29 1cy6A1 GLN 98 HE21 0.01 -0.08 -0.02 -0.04 6.97 6.84 1cy6A1 GLN 98 HE22 0.01 0.07 0.06 -0.04 7.69 7.79 1cy6A1 LEU 99 H 0.01 0.31 -0.24 -0.55 8.37 7.90 1cy6A1 LEU 99 HA 0.01 0.03 0.45 -0.75 4.35 4.08 1cy6A1 LEU 99 HB2 0.02 0.13 0.20 -0.04 1.64 1.94 1cy6A1 LEU 99 HB3 0.03 -0.02 -0.02 -0.04 1.64 1.59 1cy6A1 LEU 99 HG 0.01 -0.01 0.05 -0.04 1.64 1.65 1cy6A1 LEU 99 HD13 0.02 0.00 -0.03 -0.04 0.93 0.87 1cy6A1 LEU 99 HD23 0.02 -0.01 -0.01 -0.04 0.89 0.85 1cy6A1 ALA 100 H 0.02 0.39 -0.30 -0.55 8.40 7.96 1cy6A1 ALA 100 HA 0.01 0.05 0.43 -0.75 4.34 4.06 1cy6A1 ALA 100 HB3 0.01 0.03 0.03 -0.04 1.41 1.44 1cy6A1 GLU 101 H 0.00 0.30 -0.11 -0.55 8.60 8.24 1cy6A1 GLU 101 HA -0.01 0.10 0.50 -0.75 4.29 4.13 1cy6A1 GLU 101 HB2 -0.00 -0.06 0.09 -0.04 2.09 2.07 1cy6A1 GLU 101 HB3 -0.00 0.00 0.12 -0.04 1.99 2.06 1cy6A1 GLU 101 HG2 0.00 0.14 0.21 -0.04 2.34 2.64 1cy6A1 GLU 101 HG3 -0.00 0.02 -0.12 -0.04 2.34 2.21 1cy6A1 LYS 102 H 0.00 0.27 -0.33 -0.55 8.42 7.80 1cy6A1 LYS 102 HA -0.00 0.05 0.60 -0.75 4.32 4.21 1cy6A1 LYS 102 HB2 0.01 0.10 0.08 -0.04 1.87 2.01 1cy6A1 LYS 102 HB3 0.00 -0.06 0.12 -0.04 1.79 1.81 1cy6A1 LYS 102 HG2 -0.00 -0.04 0.01 -0.04 1.46 1.40 1cy6A1 LYS 102 HG3 0.00 0.05 0.02 -0.04 1.46 1.49 1cy6A1 LYS 102 HD2 0.00 -0.03 0.02 -0.04 1.69 1.63 1cy6A1 LYS 102 HD3 0.00 -0.08 -0.01 -0.04 1.68 1.55 1cy6A1 LYS 102 HE2 0.00 0.01 -0.08 -0.04 2.99 2.88 1cy6A1 LYS 102 HE3 0.01 0.09 -0.01 -0.04 2.99 3.03 1cy6A1 ALA 103 H -0.00 0.17 -0.69 -0.55 8.40 7.33 1cy6A1 ALA 103 HA 0.02 0.21 0.90 -0.75 4.34 4.71 1cy6A1 ALA 103 HB3 0.02 -0.00 0.12 -0.04 1.41 1.51 1cy6A1 ASP 104 H 0.04 0.37 0.17 -0.55 8.40 8.43 1cy6A1 ASP 104 HA 0.01 0.13 0.66 -0.75 4.63 4.68 1cy6A1 ASP 104 HB2 0.01 0.11 -0.07 -0.04 2.71 2.72 1cy6A1 ASP 104 HB3 0.05 -0.09 -0.09 -0.04 2.70 2.52 1cy6A1 HIS 105 H 0.13 0.12 0.15 -0.55 8.41 8.26 1cy6A1 HIS 105 HA -0.12 0.28 0.84 -0.75 4.63 4.88 1cy6A1 HIS 105 HB2 -0.00 -0.01 -0.17 -0.04 3.26 3.04 1cy6A1 HIS 105 HB3 0.11 -0.12 -0.04 -0.04 3.20 3.11 1cy6A1 HIS 105 HD2 -0.13 0.05 0.13 -0.04 6.97 6.97 1cy6A1 HIS 105 HE1 -0.34 -0.07 -0.22 -0.04 7.75 7.07 1cy6A1 ILE 106 H -0.80 0.76 0.33 -0.55 8.25 7.99 1cy6A1 ILE 106 HA 0.02 0.21 1.14 -0.75 4.18 4.79 1cy6A1 ILE 106 HB -0.48 -0.04 0.10 -0.04 1.89 1.43 1cy6A1 ILE 106 HG12 -0.09 0.05 -0.16 -0.04 1.49 1.25 1cy6A1 ILE 106 HG13 -0.31 -0.00 -0.27 -0.04 1.21 0.58 1cy6A1 ILE 106 HG23 0.18 -0.01 -0.09 -0.04 0.93 0.97 1cy6A1 ILE 106 HD13 -0.33 -0.00 -0.09 -0.04 0.88 0.42 1cy6A1 TYR 107 H 0.33 0.56 0.22 -0.55 8.29 8.84 1cy6A1 TYR 107 HA 0.06 0.21 1.05 -0.75 4.56 5.13 1cy6A1 TYR 107 HB2 0.31 -0.06 0.07 -0.04 3.06 3.35 1cy6A1 TYR 107 HB3 0.19 -0.03 -0.10 -0.04 2.98 3.00 1cy6A1 TYR 107 HD2 0.13 -0.02 -0.17 -0.04 7.15 7.05 1cy6A1 TYR 107 HE2 0.29 0.02 -0.09 -0.04 6.85 7.03 1cy6A1 LEU 108 H 0.08 0.73 0.42 -0.55 8.37 9.05 1cy6A1 LEU 108 HA 0.08 0.11 0.83 -0.75 4.35 4.62 1cy6A1 LEU 108 HB2 -0.00 0.00 0.31 -0.04 1.64 1.91 1cy6A1 LEU 108 HB3 -0.01 -0.11 0.13 -0.04 1.64 1.60 1cy6A1 LEU 108 HG 0.07 0.11 0.01 -0.04 1.64 1.79 1cy6A1 LEU 108 HD13 -0.17 -0.03 -0.06 -0.04 0.93 0.63 1cy6A1 LEU 108 HD23 0.02 0.01 -0.12 -0.04 0.89 0.76 1cy6A1 ALA 109 H 0.11 0.63 0.26 -0.55 8.40 8.86 1cy6A1 ALA 109 HA 0.00 0.31 0.96 -0.75 4.34 4.86 1cy6A1 ALA 109 HB3 0.32 -0.01 -0.02 -0.04 1.41 1.66 1cy6A1 THR 110 H -0.03 0.12 -0.25 -0.55 8.28 7.57 1cy6A1 THR 110 HA -0.00 -0.09 0.49 -0.75 4.39 4.03 1cy6A1 THR 110 HB -0.04 -0.17 0.13 -0.04 4.32 4.21 1cy6A1 THR 110 HG23 -0.01 -0.02 -0.09 -0.04 1.22 1.05 1cy6A1 ASP 111 H -0.04 -0.03 0.14 -0.55 8.40 7.92 1cy6A1 ASP 111 HA -0.27 0.16 0.39 -0.75 4.63 4.16 1cy6A1 ASP 111 HB2 -0.02 -0.08 0.10 -0.04 2.71 2.67 1cy6A1 ASP 111 HB3 -0.34 -0.09 0.11 -0.04 2.70 2.34 1cy6A1 LEU 112 H -0.68 0.11 0.19 -0.55 8.37 7.44 1cy6A1 LEU 112 HA -0.25 0.27 0.44 -0.75 4.35 4.06 1cy6A1 LEU 112 HB2 -0.18 0.05 0.11 -0.04 1.64 1.57 1cy6A1 LEU 112 HB3 -0.37 0.07 0.14 -0.04 1.64 1.44 1cy6A1 LEU 112 HG -0.97 -0.14 0.12 -0.04 1.64 0.62 1cy6A1 LEU 112 HD13 0.10 0.02 -0.30 -0.04 0.93 0.71 1cy6A1 LEU 112 HD23 -0.10 0.06 -0.03 -0.04 0.89 0.79 1cy6A1 ASP 113 H -0.12 -0.06 -0.26 -0.55 8.40 7.41 1cy6A1 ASP 113 HA 0.01 0.25 0.52 -0.75 4.63 4.65 1cy6A1 ASP 113 HB2 0.04 -0.04 0.16 -0.04 2.71 2.83 1cy6A1 ASP 113 HB3 0.22 0.08 0.08 -0.04 2.70 3.04 1cy6A1 ARG 114 H -0.03 0.16 0.14 -0.55 8.46 8.18 1cy6A1 ARG 114 HA -0.07 0.16 0.41 -0.75 4.34 4.09 1cy6A1 ARG 114 HB2 -0.06 -0.08 0.13 -0.04 1.90 1.85 1cy6A1 ARG 114 HB3 -0.09 0.08 -0.01 -0.04 1.80 1.74 1cy6A1 ARG 114 HG2 -0.08 0.06 0.08 -0.04 1.67 1.68 1cy6A1 ARG 114 HG3 -0.05 -0.03 0.10 -0.04 1.67 1.64 1cy6A1 ARG 114 HD2 -0.08 -0.04 -0.01 -0.04 3.22 3.05 1cy6A1 ARG 114 HD3 -0.10 0.03 -0.02 -0.04 3.22 3.09 1cy6A1 GLU 115 H -0.02 0.09 -0.07 -0.55 8.60 8.06 1cy6A1 GLU 115 HA -0.00 0.12 0.37 -0.75 4.29 4.03 1cy6A1 GLU 115 HB2 0.01 0.03 0.10 -0.04 2.09 2.18 1cy6A1 GLU 115 HB3 0.03 -0.05 0.01 -0.04 1.99 1.94 1cy6A1 GLU 115 HG2 0.08 -0.00 -0.11 -0.04 2.34 2.26 1cy6A1 GLU 115 HG3 0.06 0.05 0.04 -0.04 2.34 2.46 1cy6A1 GLY 116 H -0.01 0.05 -0.52 -0.55 8.43 7.40 1cy6A1 GLY 116 HA2 -0.02 -0.02 0.38 -0.51 4.01 3.85 1cy6A1 GLY 116 HA3 -0.05 0.22 0.16 -0.51 4.01 3.84 1cy6A1 GLU 117 H -0.05 0.37 -0.23 -0.55 8.60 8.14 1cy6A1 GLU 117 HA -0.06 0.10 0.44 -0.75 4.29 4.02 1cy6A1 GLU 117 HB2 -0.08 0.13 0.07 -0.04 2.09 2.16 1cy6A1 GLU 117 HB3 -0.10 0.06 -0.02 -0.04 1.99 1.88 1cy6A1 GLU 117 HG2 -0.12 -0.04 0.04 -0.04 2.34 2.17 1cy6A1 GLU 117 HG3 -0.10 -0.08 0.06 -0.04 2.34 2.18 1cy6A1 ALA 118 H -0.02 0.40 -0.34 -0.55 8.40 7.88 1cy6A1 ALA 118 HA -0.01 0.05 0.58 -0.75 4.34 4.20 1cy6A1 ALA 118 HB3 0.02 0.05 0.10 -0.04 1.41 1.55 1cy6A1 ILE 119 H 0.06 0.41 -0.03 -0.55 8.25 8.13 1cy6A1 ILE 119 HA 0.19 0.05 0.46 -0.75 4.18 4.13 1cy6A1 ILE 119 HB -0.01 0.05 0.16 -0.04 1.89 2.05 1cy6A1 ILE 119 HG12 -0.00 -0.01 0.06 -0.04 1.49 1.50 1cy6A1 ILE 119 HG13 0.10 0.04 0.05 -0.04 1.21 1.36 1cy6A1 ILE 119 HG23 -0.06 -0.01 -0.09 -0.04 0.93 0.73 1cy6A1 ILE 119 HD13 -0.13 -0.02 -0.06 -0.04 0.88 0.63 1cy6A1 ALA 120 H 0.02 0.33 -0.41 -0.55 8.40 7.80 1cy6A1 ALA 120 HA -0.03 0.07 0.49 -0.75 4.34 4.11 1cy6A1 ALA 120 HB3 -0.03 0.05 0.07 -0.04 1.41 1.46 1cy6A1 TRP 121 H 0.14 0.28 -0.30 -0.55 7.97 7.54 1cy6A1 TRP 121 HA -0.21 0.03 0.37 -0.75 4.62 4.05 1cy6A1 TRP 121 HB2 -0.21 0.04 0.16 -0.04 3.23 3.18 1cy6A1 TRP 121 HB3 -0.29 0.25 0.22 -0.04 3.23 3.37 1cy6A1 TRP 121 HD1 -0.19 -0.01 0.01 -0.04 7.22 6.99 1cy6A1 TRP 121 HE1 -0.14 0.02 -0.03 -0.04 10.20 10.00 1cy6A1 TRP 121 HE3 -0.84 0.09 -0.02 -0.04 7.59 6.78 1cy6A1 TRP 121 HZ2 -0.09 0.02 -0.04 -0.04 7.44 7.28 1cy6A1 TRP 121 HZ3 -0.83 -0.01 -0.07 -0.04 7.13 6.18 1cy6A1 TRP 121 HH2 -0.08 0.01 -0.05 -0.04 7.19 7.03 1cy6A1 HIS 122 H 0.01 0.42 -0.22 -0.55 8.41 8.08 1cy6A1 HIS 122 HA -0.68 0.04 0.41 -0.75 4.63 3.65 1cy6A1 HIS 122 HB2 -0.10 0.08 0.13 -0.04 3.26 3.33 1cy6A1 HIS 122 HB3 -0.18 -0.06 -0.03 -0.04 3.20 2.88 1cy6A1 HIS 122 HD2 0.07 0.01 -0.15 -0.04 6.97 6.85 1cy6A1 HIS 122 HE1 -1.07 -0.03 -0.13 -0.04 7.75 6.48 1cy6A1 LEU 123 H -0.08 0.37 -0.30 -0.55 8.37 7.82 1cy6A1 LEU 123 HA -0.08 -0.00 0.43 -0.75 4.35 3.94 1cy6A1 LEU 123 HB2 -0.09 0.14 0.16 -0.04 1.64 1.81 1cy6A1 LEU 123 HB3 -0.05 0.01 0.00 -0.04 1.64 1.56 1cy6A1 LEU 123 HG -0.03 0.18 0.13 -0.04 1.64 1.88 1cy6A1 LEU 123 HD13 -0.01 -0.03 -0.05 -0.04 0.93 0.81 1cy6A1 LEU 123 HD23 -0.02 -0.01 0.01 -0.04 0.89 0.82 1cy6A1 ARG 124 H -0.32 0.41 -0.29 -0.55 8.46 7.71 1cy6A1 ARG 124 HA -0.58 0.10 0.42 -0.75 4.34 3.52 1cy6A1 ARG 124 HB2 -1.16 -0.00 -0.00 -0.04 1.90 0.69 1cy6A1 ARG 124 HB3 -0.44 0.07 0.10 -0.04 1.80 1.49 1cy6A1 ARG 124 HG2 -0.26 -0.06 -0.08 -0.04 1.67 1.23 1cy6A1 ARG 124 HG3 -0.34 0.07 -0.83 -0.04 1.67 0.52 1cy6A1 ARG 124 HD2 -0.10 -0.00 -0.19 -0.04 3.22 2.89 1cy6A1 ARG 124 HD3 -0.59 0.05 -0.13 -0.04 3.22 2.51 1cy6A1 GLU 125 H -0.50 0.37 -0.18 -0.55 8.60 7.74 1cy6A1 GLU 125 HA -0.30 0.03 0.43 -0.75 4.29 3.70 1cy6A1 GLU 125 HB2 -1.00 0.11 0.14 -0.04 2.09 1.29 1cy6A1 GLU 125 HB3 -0.47 -0.00 -0.02 -0.04 1.99 1.45 1cy6A1 GLU 125 HG2 -0.83 -0.07 -0.04 -0.04 2.34 1.36 1cy6A1 GLU 125 HG3 -0.31 0.01 -0.03 -0.04 2.34 1.97 1cy6A1 VAL 126 H -0.21 0.54 -0.12 -0.55 8.24 7.89 1cy6A1 VAL 126 HA -0.09 -0.01 0.33 -0.75 4.13 3.61 1cy6A1 VAL 126 HB -0.08 0.07 0.15 -0.04 2.12 2.21 1cy6A1 VAL 126 HG13 -0.03 -0.01 -0.21 -0.04 0.97 0.68 1cy6A1 VAL 126 HG23 -0.07 -0.02 -0.04 -0.04 0.95 0.78 1cy6A1 ILE 127 H -0.06 0.46 -0.08 -0.55 8.25 8.02 1cy6A1 ILE 127 HA 0.01 -0.04 0.41 -0.75 4.18 3.81 1cy6A1 ILE 127 HB 0.10 0.04 0.12 -0.04 1.89 2.11 1cy6A1 ILE 127 HG12 0.03 -0.09 -0.06 -0.04 1.49 1.33 1cy6A1 ILE 127 HG13 0.00 0.03 0.09 -0.04 1.21 1.29 1cy6A1 ILE 127 HG23 0.10 0.03 -0.14 -0.04 0.93 0.89 1cy6A1 ILE 127 HD13 0.09 -0.02 -0.09 -0.04 0.88 0.81 1cy6A1 GLY 128 H -0.01 0.38 -0.24 -0.55 8.43 8.00 1cy6A1 GLY 128 HA2 0.00 0.03 0.29 -0.51 4.01 3.83 1cy6A1 GLY 128 HA3 0.01 0.07 0.54 -0.51 4.01 4.12 1cy6A1 GLY 129 H 0.04 0.08 0.16 -0.55 8.43 8.16 1cy6A1 GLY 129 HA2 0.02 -0.00 0.31 -0.51 4.01 3.83 1cy6A1 GLY 129 HA3 0.03 0.26 0.86 -0.51 4.01 4.65 1cy6A1 ASP 130 H -0.01 0.21 0.16 -0.55 8.40 8.21 1cy6A1 ASP 130 HA 0.04 0.17 0.91 -0.75 4.63 5.00 1cy6A1 ASP 130 HB2 -0.01 0.09 0.17 -0.04 2.71 2.92 1cy6A1 ASP 130 HB3 0.01 -0.12 0.06 -0.04 2.70 2.61 1cy6A1 ASP 131 H 0.06 0.19 0.19 -0.55 8.40 8.30 1cy6A1 ASP 131 HA 0.18 0.09 0.34 -0.75 4.63 4.48 1cy6A1 ASP 131 HB2 0.05 -0.03 0.12 -0.04 2.71 2.81 1cy6A1 ASP 131 HB3 0.06 0.04 0.07 -0.04 2.70 2.82 1cy6A1 ALA 132 H 0.03 -0.03 -0.49 -0.55 8.40 7.37 1cy6A1 ALA 132 HA 0.04 0.11 0.44 -0.75 4.34 4.18 1cy6A1 ALA 132 HB3 0.01 -0.01 0.05 -0.04 1.41 1.42 1cy6A1 ARG 133 H -0.06 0.78 -0.14 -0.55 8.46 8.49 1cy6A1 ARG 133 HA -0.09 0.11 0.55 -0.75 4.34 4.16 1cy6A1 ARG 133 HB2 -0.44 0.14 0.10 -0.04 1.90 1.67 1cy6A1 ARG 133 HB3 -0.56 -0.00 0.06 -0.04 1.80 1.26 1cy6A1 ARG 133 HG2 -0.09 -0.14 0.07 -0.04 1.67 1.48 1cy6A1 ARG 133 HG3 -0.14 -0.17 0.12 -0.04 1.67 1.44 1cy6A1 ARG 133 HD2 -0.09 0.12 0.09 -0.04 3.22 3.30 1cy6A1 ARG 133 HD3 -0.06 -0.06 0.05 -0.04 3.22 3.11 1cy6A1 TYR 134 H -0.03 0.32 -0.29 -0.55 8.29 7.74 1cy6A1 TYR 134 HA -0.43 0.38 1.18 -0.75 4.56 4.94 1cy6A1 TYR 134 HB2 -0.08 -0.02 0.06 -0.04 3.06 2.98 1cy6A1 TYR 134 HB3 -0.12 -0.06 -0.00 -0.04 2.98 2.76 1cy6A1 TYR 134 HD2 -0.09 0.00 -0.12 -0.04 7.15 6.90 1cy6A1 TYR 134 HE2 -0.06 0.02 -0.23 -0.04 6.85 6.53 1cy6A1 SER 135 H -0.15 0.47 0.43 -0.55 8.46 8.67 1cy6A1 SER 135 HA 0.00 0.23 0.88 -0.75 4.49 4.84 1cy6A1 SER 135 HB2 -0.30 0.00 0.00 -0.04 3.95 3.61 1cy6A1 SER 135 HB3 -0.02 -0.09 -0.03 -0.04 3.93 3.75 1cy6A1 ARG 136 H -0.01 0.72 0.11 -0.55 8.46 8.72 1cy6A1 ARG 136 HA -0.02 0.21 1.08 -0.75 4.34 4.86 1cy6A1 ARG 136 HB2 -0.03 -0.11 -0.12 -0.04 1.90 1.60 1cy6A1 ARG 136 HB3 -0.04 0.01 -0.22 -0.04 1.80 1.51 1cy6A1 ARG 136 HG2 -0.06 0.15 0.06 -0.04 1.67 1.78 1cy6A1 ARG 136 HG3 -0.06 -0.17 -0.02 -0.04 1.67 1.38 1cy6A1 ARG 136 HD2 -0.08 -0.06 -0.16 -0.04 3.22 2.89 1cy6A1 ARG 136 HD3 -0.11 0.29 -0.47 -0.04 3.22 2.89 1cy6A1 VAL 137 H -0.06 0.28 0.09 -0.55 8.24 8.00 1cy6A1 VAL 137 HA -0.11 0.13 0.67 -0.75 4.13 4.07 1cy6A1 VAL 137 HB -0.31 0.02 -0.05 -0.04 2.12 1.74 1cy6A1 VAL 137 HG13 -0.54 0.01 -0.11 -0.04 0.97 0.30 1cy6A1 VAL 137 HG23 -0.17 0.00 -0.20 -0.04 0.95 0.54 1cy6A1 VAL 138 H -0.08 0.29 0.18 -0.55 8.24 8.09 1cy6A1 VAL 138 HA -0.38 0.17 0.87 -0.75 4.13 4.03 1cy6A1 VAL 138 HB -0.10 0.03 0.04 -0.04 2.12 2.04 1cy6A1 VAL 138 HG13 -0.17 -0.04 -0.17 -0.04 0.97 0.56 1cy6A1 VAL 138 HG23 -0.14 0.02 -0.27 -0.04 0.95 0.51 1cy6A1 PHE 139 H -0.64 0.29 0.18 -0.55 8.34 7.61 1cy6A1 PHE 139 HA -0.03 0.15 0.67 -0.75 4.62 4.65 1cy6A1 PHE 139 HB2 0.02 -0.04 0.02 -0.04 3.15 3.11 1cy6A1 PHE 139 HB3 -0.00 0.21 -0.09 -0.04 3.06 3.13 1cy6A1 PHE 139 HD2 0.04 -0.06 -0.39 -0.04 7.28 6.83 1cy6A1 PHE 139 HE2 0.07 -0.02 -0.16 -0.04 7.38 7.23 1cy6A1 PHE 139 HZ 0.05 0.08 -0.09 -0.04 7.32 7.32 1cy6A1 ASN 140 H 0.16 0.22 0.14 -0.55 8.53 8.50 1cy6A1 ASN 140 HA 0.08 0.18 1.06 -0.75 4.76 5.32 1cy6A1 ASN 140 HB2 0.13 -0.05 0.28 -0.04 2.88 3.20 1cy6A1 ASN 140 HB3 0.05 0.06 0.07 -0.04 2.79 2.92 1cy6A1 ASN 140 HD21 0.03 0.04 -0.01 -0.04 7.03 7.05 1cy6A1 ASN 140 HD22 0.02 0.08 0.05 -0.04 7.74 7.85 1cy6A1 GLU 141 H 0.36 0.26 -0.14 -0.55 8.60 8.52 1cy6A1 GLU 141 HA 0.37 0.13 0.34 -0.75 4.29 4.37 1cy6A1 GLU 141 HB2 0.13 0.11 -0.13 -0.04 2.09 2.16 1cy6A1 GLU 141 HB3 0.15 0.12 -0.18 -0.04 1.99 2.04 1cy6A1 GLU 141 HG2 0.06 -0.12 -0.10 -0.04 2.34 2.15 1cy6A1 GLU 141 HG3 0.01 -0.03 -0.40 -0.04 2.34 1.88 1cy6A1 ILE 142 H -0.01 0.28 0.00 -0.55 8.25 7.97 1cy6A1 ILE 142 HA -0.30 0.13 0.78 -0.75 4.18 4.04 1cy6A1 ILE 142 HB -0.14 0.06 0.14 -0.04 1.89 1.90 1cy6A1 ILE 142 HG12 -0.33 0.02 -0.17 -0.04 1.49 0.97 1cy6A1 ILE 142 HG13 -0.17 -0.09 -0.10 -0.04 1.21 0.81 1cy6A1 ILE 142 HG23 -0.11 0.02 -0.22 -0.04 0.93 0.58 1cy6A1 ILE 142 HD13 -0.16 0.02 -0.02 -0.04 0.88 0.68 1cy6A1 THR 143 H -0.26 0.22 0.07 -0.55 8.28 7.77 1cy6A1 THR 143 HA -0.50 0.33 0.80 -0.75 4.39 4.27 1cy6A1 THR 143 HB -0.20 -0.05 0.09 -0.04 4.32 4.13 1cy6A1 THR 143 HG23 -0.05 0.05 -0.28 -0.04 1.22 0.90 1cy6A1 LYS 144 H -0.64 0.21 0.12 -0.55 8.42 7.56 1cy6A1 LYS 144 HA -0.64 0.19 0.39 -0.75 4.32 3.50 1cy6A1 LYS 144 HB2 -0.16 0.09 0.16 -0.04 1.87 1.92 1cy6A1 LYS 144 HB3 -0.14 -0.15 0.20 -0.04 1.79 1.66 1cy6A1 LYS 144 HG2 -0.04 -0.01 -0.12 -0.04 1.46 1.26 1cy6A1 LYS 144 HG3 0.10 0.11 0.05 -0.04 1.46 1.67 1cy6A1 LYS 144 HD2 0.03 -0.00 0.03 -0.04 1.69 1.71 1cy6A1 LYS 144 HD3 -0.00 -0.04 -0.01 -0.04 1.68 1.59 1cy6A1 LYS 144 HE2 0.03 -0.01 0.00 -0.04 2.99 2.97 1cy6A1 LYS 144 HE3 0.03 0.01 -0.01 -0.04 2.99 2.98 1cy6A1 ASN 145 H -0.14 0.12 0.02 -0.55 8.53 7.98 1cy6A1 ASN 145 HA -0.05 0.12 0.41 -0.75 4.76 4.48 1cy6A1 ASN 145 HB2 -0.05 -0.02 0.06 -0.04 2.88 2.83 1cy6A1 ASN 145 HB3 -0.02 0.04 0.01 -0.04 2.79 2.78 1cy6A1 ASN 145 HD21 -0.00 0.04 0.01 -0.04 7.03 7.04 1cy6A1 ASN 145 HD22 -0.01 0.01 0.03 -0.04 7.74 7.73 1cy6A1 ALA 146 H -0.14 0.02 -0.43 -0.55 8.40 7.31 1cy6A1 ALA 146 HA -0.01 0.07 0.48 -0.75 4.34 4.12 1cy6A1 ALA 146 HB3 -0.05 -0.04 0.09 -0.04 1.41 1.37 1cy6A1 ILE 147 H -0.20 0.57 -0.10 -0.55 8.25 7.97 1cy6A1 ILE 147 HA -0.05 0.01 0.44 -0.75 4.18 3.82 1cy6A1 ILE 147 HB -0.16 0.16 0.18 -0.04 1.89 2.02 1cy6A1 ILE 147 HG12 -0.33 0.08 0.06 -0.04 1.49 1.26 1cy6A1 ILE 147 HG13 -0.12 0.03 -0.07 -0.04 1.21 1.01 1cy6A1 ILE 147 HG23 -0.15 0.00 -0.16 -0.04 0.93 0.58 1cy6A1 ILE 147 HD13 -0.48 -0.03 -0.07 -0.04 0.88 0.26 1cy6A1 ARG 148 H -0.05 0.37 -0.17 -0.55 8.46 8.06 1cy6A1 ARG 148 HA 0.03 0.07 0.34 -0.75 4.34 4.02 1cy6A1 ARG 148 HB2 -0.01 0.03 0.09 -0.04 1.90 1.97 1cy6A1 ARG 148 HB3 -0.01 0.10 0.20 -0.04 1.80 2.05 1cy6A1 ARG 148 HG2 0.03 0.00 -0.28 -0.04 1.67 1.38 1cy6A1 ARG 148 HG3 0.03 0.01 -0.04 -0.04 1.67 1.63 1cy6A1 ARG 148 HD2 0.00 -0.03 0.01 -0.04 3.22 3.16 1cy6A1 ARG 148 HD3 0.02 -0.00 -0.03 -0.04 3.22 3.16 1cy6A1 GLN 149 H 0.02 0.38 -0.03 -0.55 8.47 8.29 1cy6A1 GLN 149 HA 0.04 0.02 0.43 -0.75 4.36 4.09 1cy6A1 GLN 149 HB2 0.03 0.05 0.16 -0.04 2.15 2.35 1cy6A1 GLN 149 HB3 0.03 0.02 0.03 -0.04 2.02 2.06 1cy6A1 GLN 149 HG2 0.02 -0.03 0.05 -0.04 2.40 2.40 1cy6A1 GLN 149 HG3 0.02 -0.01 0.06 -0.04 2.39 2.43 1cy6A1 GLN 149 HE21 0.00 -0.06 0.08 -0.04 6.97 6.95 1cy6A1 GLN 149 HE22 0.01 -0.02 0.00 -0.04 7.69 7.65 1cy6A1 ALA 150 H 0.08 0.35 -0.35 -0.55 8.40 7.93 1cy6A1 ALA 150 HA 0.03 0.04 0.40 -0.75 4.34 4.05 1cy6A1 ALA 150 HB3 0.17 0.02 0.06 -0.04 1.41 1.61 1cy6A1 PHE 151 H 0.27 0.52 -0.20 -0.55 8.34 8.39 1cy6A1 PHE 151 HA 0.06 0.11 0.75 -0.75 4.62 4.79 1cy6A1 PHE 151 HB2 -0.12 0.08 0.04 -0.04 3.15 3.11 1cy6A1 PHE 151 HB3 -0.11 -0.05 0.10 -0.04 3.06 2.97 1cy6A1 PHE 151 HD2 -0.49 0.16 -0.03 -0.04 7.28 6.88 1cy6A1 PHE 151 HE2 -0.31 -0.05 -0.11 -0.04 7.38 6.87 1cy6A1 PHE 151 HZ -0.06 -0.05 -0.14 -0.04 7.32 7.03 1cy6A1 ASN 152 H 0.10 0.29 -0.41 -0.55 8.53 7.97 1cy6A1 ASN 152 HA 0.10 0.04 0.64 -0.75 4.76 4.79 1cy6A1 ASN 152 HB2 0.06 -0.03 0.02 -0.04 2.88 2.89 1cy6A1 ASN 152 HB3 0.06 0.04 0.22 -0.04 2.79 3.07 1cy6A1 ASN 152 HD21 0.04 -0.07 -0.05 -0.04 7.03 6.91 1cy6A1 ASN 152 HD22 0.06 0.03 0.09 -0.04 7.74 7.88 1cy6A1 LYS 153 H 0.05 0.38 -0.05 -0.55 8.42 8.25 1cy6A1 LYS 153 HA 0.04 0.14 0.82 -0.75 4.32 4.57 1cy6A1 LYS 153 HB2 0.01 -0.00 0.27 -0.04 1.87 2.12 1cy6A1 LYS 153 HB3 0.02 -0.02 0.13 -0.04 1.79 1.88 1cy6A1 LYS 153 HG2 0.02 -0.05 0.01 -0.04 1.46 1.39 1cy6A1 LYS 153 HG3 0.03 0.00 -0.27 -0.04 1.46 1.18 1cy6A1 LYS 153 HD2 0.02 -0.08 0.03 -0.04 1.69 1.62 1cy6A1 LYS 153 HD3 0.03 0.21 0.16 -0.04 1.68 2.04 1cy6A1 LYS 153 HE2 0.01 0.06 0.09 -0.04 2.99 3.11 1cy6A1 LYS 153 HE3 0.01 -0.05 0.04 -0.04 2.99 2.95 1cy6A1 PRO 154 HA -0.00 0.16 0.40 -0.51 4.44 4.49 1cy6A1 PRO 154 HB2 0.09 0.01 -0.04 -0.04 2.28 2.30 1cy6A1 PRO 154 HB3 0.14 -0.07 0.04 -0.04 2.02 2.09 1cy6A1 PRO 154 HG2 0.28 0.02 -0.06 -0.04 2.03 2.23 1cy6A1 PRO 154 HG3 0.25 0.06 -0.11 -0.04 2.03 2.19 1cy6A1 PRO 154 HD2 0.08 0.04 -0.01 -0.04 3.68 3.75 1cy6A1 PRO 154 HD3 0.11 0.32 -0.67 -0.04 3.65 3.37 1cy6A1 GLY 155 H -0.00 0.12 0.05 -0.55 8.43 8.05 1cy6A1 GLY 155 HA2 -0.01 0.16 0.80 -0.51 4.01 4.45 1cy6A1 GLY 155 HA3 -0.03 0.07 0.38 -0.51 4.01 3.93 1cy6A1 GLU 156 H -0.02 0.15 0.20 -0.55 8.60 8.38 1cy6A1 GLU 156 HA -0.00 0.19 0.97 -0.75 4.29 4.70 1cy6A1 GLU 156 HB2 -0.02 -0.03 0.07 -0.04 2.09 2.07 1cy6A1 GLU 156 HB3 -0.01 0.03 0.10 -0.04 1.99 2.07 1cy6A1 GLU 156 HG2 -0.00 -0.03 -0.09 -0.04 2.34 2.18 1cy6A1 GLU 156 HG3 -0.01 -0.02 0.01 -0.04 2.34 2.29 1cy6A1 LEU 157 H -0.01 0.18 0.15 -0.55 8.37 8.14 1cy6A1 LEU 157 HA -0.04 0.06 0.45 -0.75 4.35 4.06 1cy6A1 LEU 157 HB2 -0.02 0.08 0.09 -0.04 1.64 1.75 1cy6A1 LEU 157 HB3 -0.01 -0.03 0.08 -0.04 1.64 1.65 1cy6A1 LEU 157 HG -0.03 -0.07 -0.11 -0.04 1.64 1.39 1cy6A1 LEU 157 HD13 -0.02 0.02 -0.04 -0.04 0.93 0.85 1cy6A1 LEU 157 HD23 0.11 0.00 -0.05 -0.04 0.89 0.91 1cy6A1 ASN 158 H -0.08 0.17 0.17 -0.55 8.53 8.25 1cy6A1 ASN 158 HA -0.08 0.20 0.85 -0.75 4.76 4.98 1cy6A1 ASN 158 HB2 -0.07 0.20 0.12 -0.04 2.88 3.09 1cy6A1 ASN 158 HB3 -0.09 -0.06 0.29 -0.04 2.79 2.88 1cy6A1 ASN 158 HD21 -0.06 0.10 0.06 -0.04 7.03 7.09 1cy6A1 ASN 158 HD22 -0.06 0.08 0.06 -0.04 7.74 7.78 1cy6A1 ILE 159 H -0.11 0.36 0.12 -0.55 8.25 8.07 1cy6A1 ILE 159 HA -0.31 0.04 0.30 -0.75 4.18 3.46 1cy6A1 ILE 159 HB -0.11 0.10 0.14 -0.04 1.89 1.97 1cy6A1 ILE 159 HG12 -0.14 0.06 0.03 -0.04 1.49 1.40 1cy6A1 ILE 159 HG13 -0.35 -0.07 0.07 -0.04 1.21 0.82 1cy6A1 ILE 159 HG23 -0.10 -0.00 -0.14 -0.04 0.93 0.65 1cy6A1 ILE 159 HD13 -0.32 0.01 0.01 -0.04 0.88 0.54 1cy6A1 ASP 160 H -0.12 0.14 -0.26 -0.55 8.40 7.62 1cy6A1 ASP 160 HA -0.16 0.06 0.52 -0.75 4.63 4.30 1cy6A1 ASP 160 HB2 -0.06 0.05 0.10 -0.04 2.71 2.76 1cy6A1 ASP 160 HB3 -0.03 0.18 0.11 -0.04 2.70 2.92 1cy6A1 ARG 161 H -0.15 0.31 -0.07 -0.55 8.46 7.99 1cy6A1 ARG 161 HA -0.14 0.06 0.58 -0.75 4.34 4.08 1cy6A1 ARG 161 HB2 -0.13 0.12 0.18 -0.04 1.90 2.03 1cy6A1 ARG 161 HB3 -0.11 -0.09 0.08 -0.04 1.80 1.64 1cy6A1 ARG 161 HG2 -0.08 0.04 0.08 -0.04 1.67 1.67 1cy6A1 ARG 161 HG3 -0.09 -0.01 0.13 -0.04 1.67 1.66 1cy6A1 ARG 161 HD2 -0.06 0.07 0.04 -0.04 3.22 3.23 1cy6A1 ARG 161 HD3 -0.08 0.01 0.06 -0.04 3.22 3.18 1cy6A1 VAL 162 H -0.30 0.37 -0.10 -0.55 8.24 7.66 1cy6A1 VAL 162 HA -0.34 0.02 0.31 -0.75 4.13 3.36 1cy6A1 VAL 162 HB -0.63 0.09 0.11 -0.04 2.12 1.66 1cy6A1 VAL 162 HG13 -1.31 -0.01 -0.12 -0.04 0.97 -0.51 1cy6A1 VAL 162 HG23 -0.32 0.02 -0.10 -0.04 0.95 0.51 1cy6A1 ASN 163 H -0.53 0.53 -0.25 -0.55 8.53 7.74 1cy6A1 ASN 163 HA -1.16 0.01 0.40 -0.75 4.76 3.26 1cy6A1 ASN 163 HB2 -0.50 0.18 0.17 -0.04 2.88 2.68 1cy6A1 ASN 163 HB3 -1.12 -0.14 0.06 -0.04 2.79 1.55 1cy6A1 ASN 163 HD21 -0.33 -0.03 -0.00 -0.04 7.03 6.62 1cy6A1 ASN 163 HD22 -0.32 -0.02 0.03 -0.04 7.74 7.38 1cy6A1 ALA 164 H -0.29 0.47 -0.23 -0.55 8.40 7.80 1cy6A1 ALA 164 HA -0.15 0.01 0.46 -0.75 4.34 3.91 1cy6A1 ALA 164 HB3 -0.13 0.03 0.11 -0.04 1.41 1.39 1cy6A1 GLN 165 H -0.26 0.49 -0.26 -0.55 8.47 7.89 1cy6A1 GLN 165 HA -0.14 -0.01 0.43 -0.75 4.36 3.88 1cy6A1 GLN 165 HB2 -0.14 -0.07 -0.04 -0.04 2.15 1.86 1cy6A1 GLN 165 HB3 -0.22 0.22 0.13 -0.04 2.02 2.11 1cy6A1 GLN 165 HG2 -0.06 0.00 -0.07 -0.04 2.40 2.23 1cy6A1 GLN 165 HG3 -0.09 0.02 -0.27 -0.04 2.39 2.02 1cy6A1 GLN 165 HE21 -0.02 -0.03 -0.00 -0.04 6.97 6.88 1cy6A1 GLN 165 HE22 0.00 0.07 -0.01 -0.04 7.69 7.71 1cy6A1 GLN 166 H -0.44 0.54 -0.04 -0.55 8.47 7.98 1cy6A1 GLN 166 HA -0.34 0.03 0.52 -0.75 4.36 3.82 1cy6A1 GLN 166 HB2 -0.79 0.05 0.09 -0.04 2.15 1.45 1cy6A1 GLN 166 HB3 -0.79 -0.01 0.05 -0.04 2.02 1.23 1cy6A1 GLN 166 HG2 -0.54 0.18 0.04 -0.04 2.40 2.04 1cy6A1 GLN 166 HG3 -0.39 0.01 -0.02 -0.04 2.39 1.95 1cy6A1 GLN 166 HE21 0.05 -0.01 -0.11 -0.04 6.97 6.86 1cy6A1 GLN 166 HE22 -0.17 -0.05 -0.20 -0.04 7.69 7.24 1cy6A1 ALA 167 H -0.25 0.52 -0.29 -0.55 8.40 7.83 1cy6A1 ALA 167 HA -0.04 0.00 0.37 -0.75 4.34 3.92 1cy6A1 ALA 167 HB3 -0.02 0.04 0.11 -0.04 1.41 1.50 1cy6A1 ARG 168 H -0.15 0.49 -0.14 -0.55 8.46 8.10 1cy6A1 ARG 168 HA -0.15 0.01 0.35 -0.75 4.34 3.80 1cy6A1 ARG 168 HB2 -0.11 0.05 0.12 -0.04 1.90 1.91 1cy6A1 ARG 168 HB3 -0.11 0.13 0.15 -0.04 1.80 1.92 1cy6A1 ARG 168 HG2 -0.08 -0.03 -0.23 -0.04 1.67 1.28 1cy6A1 ARG 168 HG3 -0.10 -0.00 -0.00 -0.04 1.67 1.53 1cy6A1 ARG 168 HD2 -0.07 0.02 -0.05 -0.04 3.22 3.08 1cy6A1 ARG 168 HD3 -0.07 -0.05 -0.06 -0.04 3.22 3.00 1cy6A1 ARG 169 H -0.13 0.47 -0.18 -0.55 8.46 8.07 1cy6A1 ARG 169 HA 0.00 -0.02 0.43 -0.75 4.34 3.99 1cy6A1 ARG 169 HB2 -0.02 -0.01 0.12 -0.04 1.90 1.95 1cy6A1 ARG 169 HB3 -0.09 0.07 0.16 -0.04 1.80 1.90 1cy6A1 ARG 169 HG2 0.15 -0.02 0.00 -0.04 1.67 1.76 1cy6A1 ARG 169 HG3 0.21 0.05 -0.16 -0.04 1.67 1.73 1cy6A1 ARG 169 HD2 0.06 -0.05 0.10 -0.04 3.22 3.29 1cy6A1 ARG 169 HD3 0.04 -0.05 0.04 -0.04 3.22 3.21 1cy6A1 PHE 170 H -0.07 0.71 -0.13 -0.55 8.34 8.30 1cy6A1 PHE 170 HA 0.03 0.06 0.41 -0.75 4.62 4.36 1cy6A1 PHE 170 HB2 -0.07 0.08 0.16 -0.04 3.15 3.28 1cy6A1 PHE 170 HB3 0.08 -0.07 -0.06 -0.04 3.06 2.98 1cy6A1 PHE 170 HD2 0.08 -0.06 -0.12 -0.04 7.28 7.14 1cy6A1 PHE 170 HE2 0.32 0.02 -0.04 -0.04 7.38 7.64 1cy6A1 PHE 170 HZ 0.30 -0.03 -0.03 -0.04 7.32 7.52 1cy6A1 MET 171 H -0.09 0.61 0.01 -0.55 8.47 8.46 1cy6A1 MET 171 HA -0.05 0.01 0.39 -0.75 4.52 4.12 1cy6A1 MET 171 HB2 -1.19 -0.04 0.03 -0.04 2.15 0.90 1cy6A1 MET 171 HB3 -0.89 -0.01 0.08 -0.04 2.03 1.17 1cy6A1 MET 171 HG2 -0.28 0.40 0.13 -0.04 2.63 2.84 1cy6A1 MET 171 HG3 -0.31 0.02 0.04 -0.04 2.56 2.27 1cy6A1 MET 171 HE3 -0.53 -0.02 -0.05 -0.04 2.10 1.47 1cy6A1 ASP 172 H -0.07 0.50 -0.34 -0.55 8.40 7.95 1cy6A1 ASP 172 HA -0.07 -0.11 0.51 -0.75 4.63 4.20 1cy6A1 ASP 172 HB2 -0.01 0.22 0.19 -0.04 2.71 3.07 1cy6A1 ASP 172 HB3 0.01 -0.05 0.03 -0.04 2.70 2.65 1cy6A1 ARG 173 H 0.04 0.52 -0.14 -0.55 8.46 8.33 1cy6A1 ARG 173 HA 0.03 -0.02 0.45 -0.75 4.34 4.05 1cy6A1 ARG 173 HB2 0.05 0.14 0.27 -0.04 1.90 2.32 1cy6A1 ARG 173 HB3 -0.10 -0.03 -0.06 -0.04 1.80 1.57 1cy6A1 ARG 173 HG2 -0.03 -0.07 0.07 -0.04 1.67 1.60 1cy6A1 ARG 173 HG3 -0.08 0.06 0.02 -0.04 1.67 1.63 1cy6A1 ARG 173 HD2 -0.67 0.10 0.11 -0.04 3.22 2.72 1cy6A1 ARG 173 HD3 -0.73 -0.14 0.11 -0.04 3.22 2.41 1cy6A1 VAL 174 H 0.05 0.52 -0.10 -0.55 8.24 8.16 1cy6A1 VAL 174 HA 0.05 0.02 0.30 -0.75 4.13 3.75 1cy6A1 VAL 174 HB 0.16 0.08 0.15 -0.04 2.12 2.47 1cy6A1 VAL 174 HG13 -0.08 -0.01 -0.17 -0.04 0.97 0.67 1cy6A1 VAL 174 HG23 0.20 0.03 -0.05 -0.04 0.95 1.09 1cy6A1 VAL 175 H -0.07 0.49 -0.10 -0.55 8.24 8.00 1cy6A1 VAL 175 HA -0.25 0.03 0.31 -0.75 4.13 3.47 1cy6A1 VAL 175 HB -0.05 0.01 0.16 -0.04 2.12 2.20 1cy6A1 VAL 175 HG13 -0.07 -0.01 -0.32 -0.04 0.97 0.53 1cy6A1 VAL 175 HG23 -0.11 0.05 0.06 -0.04 0.95 0.90 1cy6A1 GLY 176 H 0.05 0.55 -0.04 -0.55 8.43 8.44 1cy6A1 GLY 176 HA2 0.03 0.05 0.45 -0.51 4.01 4.03 1cy6A1 GLY 176 HA3 0.16 0.07 0.42 -0.51 4.01 4.15 1cy6A1 TYR 177 H 0.41 0.63 0.04 -0.55 8.29 8.81 1cy6A1 TYR 177 HA -0.03 0.03 0.51 -0.75 4.56 4.32 1cy6A1 TYR 177 HB2 0.04 0.14 0.10 -0.04 3.06 3.29 1cy6A1 TYR 177 HB3 0.04 -0.06 0.10 -0.04 2.98 3.02 1cy6A1 TYR 177 HD2 0.04 -0.06 0.04 -0.04 7.15 7.13 1cy6A1 TYR 177 HE2 0.05 -0.00 -0.04 -0.04 6.85 6.82 1cy6A1 MET 178 H 0.12 0.43 -0.22 -0.55 8.47 8.25 1cy6A1 MET 178 HA 0.10 0.19 1.06 -0.75 4.52 5.11 1cy6A1 MET 178 HB2 0.31 0.21 0.06 -0.04 2.15 2.70 1cy6A1 MET 178 HB3 0.34 -0.04 0.03 -0.04 2.03 2.32 1cy6A1 MET 178 HG2 0.25 -0.02 0.00 -0.04 2.63 2.82 1cy6A1 MET 178 HG3 0.22 -0.03 -0.20 -0.04 2.56 2.51 1cy6A1 MET 178 HE3 0.47 0.00 -0.01 -0.04 2.10 2.52 1cy6A1 VAL 179 H 0.03 0.48 0.11 -0.55 8.24 8.32 1cy6A1 VAL 179 HA 0.03 0.16 0.76 -0.75 4.13 4.32 1cy6A1 VAL 179 HB -0.08 0.13 0.14 -0.04 2.12 2.27 1cy6A1 VAL 179 HG13 -0.25 -0.02 -0.16 -0.04 0.97 0.50 1cy6A1 VAL 179 HG23 0.00 -0.01 -0.01 -0.04 0.95 0.89 1cy6A1 SER 180 H -0.16 0.42 0.15 -0.55 8.46 8.33 1cy6A1 SER 180 HA -0.28 -0.04 0.30 -0.75 4.49 3.71 1cy6A1 SER 180 HB2 -0.42 0.15 0.21 -0.04 3.95 3.85 1cy6A1 SER 180 HB3 -0.59 0.03 0.04 -0.04 3.93 3.38 1cy6A1 PRO 181 HA -1.16 -0.00 0.42 -0.51 4.44 3.18 1cy6A1 PRO 181 HB2 -0.17 0.10 -0.07 -0.04 2.28 2.09 1cy6A1 PRO 181 HB3 -0.17 -0.01 0.03 -0.04 2.02 1.83 1cy6A1 PRO 181 HG2 -0.20 0.23 0.07 -0.04 2.03 2.09 1cy6A1 PRO 181 HG3 -0.81 -0.03 0.02 -0.04 2.03 1.17 1cy6A1 PRO 181 HD2 -0.26 0.03 -0.55 -0.04 3.68 2.86 1cy6A1 PRO 181 HD3 -0.58 0.11 -0.00 -0.04 3.65 3.13 1cy6A1 LEU 182 H -0.17 0.36 -0.45 -0.55 8.37 7.56 1cy6A1 LEU 182 HA -0.01 0.07 0.46 -0.75 4.35 4.12 1cy6A1 LEU 182 HB2 0.02 0.03 0.08 -0.04 1.64 1.74 1cy6A1 LEU 182 HB3 0.02 0.15 0.12 -0.04 1.64 1.88 1cy6A1 LEU 182 HG 0.06 -0.06 -0.22 -0.04 1.64 1.38 1cy6A1 LEU 182 HD13 0.03 0.02 0.01 -0.04 0.93 0.94 1cy6A1 LEU 182 HD23 0.13 0.01 -0.09 -0.04 0.89 0.90 1cy6A1 LEU 183 H -0.16 0.41 -0.15 -0.55 8.37 7.93 1cy6A1 LEU 183 HA 0.05 0.02 0.41 -0.75 4.35 4.07 1cy6A1 LEU 183 HB2 -0.09 0.22 0.10 -0.04 1.64 1.82 1cy6A1 LEU 183 HB3 0.09 -0.07 -0.03 -0.04 1.64 1.59 1cy6A1 LEU 183 HG -0.05 0.11 -0.10 -0.04 1.64 1.56 1cy6A1 LEU 183 HD13 0.03 -0.03 -0.21 -0.04 0.93 0.67 1cy6A1 LEU 183 HD23 0.05 -0.01 -0.06 -0.04 0.89 0.83 1cy6A1 TRP 184 H -0.14 0.46 -0.18 -0.55 7.97 7.56 1cy6A1 TRP 184 HA 0.03 0.08 -0.04 -0.75 4.62 3.93 1cy6A1 TRP 184 HB2 0.02 0.16 0.02 -0.04 3.23 3.40 1cy6A1 TRP 184 HB3 0.01 -0.09 -0.01 -0.04 3.23 3.10 1cy6A1 TRP 184 HD1 0.02 0.05 0.05 -0.04 7.22 7.30 1cy6A1 TRP 184 HE1 -0.00 0.32 -0.06 -0.04 10.20 10.42 1cy6A1 TRP 184 HE3 0.01 0.05 0.01 -0.04 7.59 7.62 1cy6A1 TRP 184 HZ2 -0.06 0.02 -0.04 -0.04 7.44 7.32 1cy6A1 TRP 184 HZ3 -0.00 -0.00 -0.01 -0.04 7.13 7.08 1cy6A1 TRP 184 HH2 -0.06 0.00 -0.02 -0.04 7.19 7.08 1cy6A1 LYS 185 H 0.15 0.31 -0.49 -0.55 8.42 7.83 1cy6A1 LYS 185 HA 0.13 0.03 0.50 -0.75 4.32 4.22 1cy6A1 LYS 185 HB2 0.11 -0.06 0.06 -0.04 1.87 1.94 1cy6A1 LYS 185 HB3 0.07 0.15 0.14 -0.04 1.79 2.11 1cy6A1 LYS 185 HG2 0.05 0.06 -0.27 -0.04 1.46 1.26 1cy6A1 LYS 185 HG3 0.06 -0.08 0.03 -0.04 1.46 1.44 1cy6A1 LYS 185 HD2 0.05 -0.07 -0.01 -0.04 1.69 1.63 1cy6A1 LYS 185 HD3 0.04 0.05 -0.01 -0.04 1.68 1.72 1cy6A1 LYS 185 HE2 0.03 -0.08 -0.01 -0.04 2.99 2.90 1cy6A1 LYS 185 HE3 0.02 0.00 -0.00 -0.04 2.99 2.97 1cy6A1 LYS 186 H 0.08 0.38 -0.06 -0.55 8.42 8.26 1cy6A1 LYS 186 HA 0.05 0.13 0.72 -0.75 4.32 4.47 1cy6A1 LYS 186 HB2 0.06 -0.07 0.05 -0.04 1.87 1.88 1cy6A1 LYS 186 HB3 0.05 0.03 -0.10 -0.04 1.79 1.72 1cy6A1 LYS 186 HG2 0.04 0.03 -0.03 -0.04 1.46 1.46 1cy6A1 LYS 186 HG3 0.04 -0.06 -0.09 -0.04 1.46 1.31 1cy6A1 LYS 186 HD2 0.03 0.09 -0.23 -0.04 1.69 1.54 1cy6A1 LYS 186 HD3 0.03 -0.05 -0.10 -0.04 1.68 1.52 1cy6A1 LYS 186 HE2 0.02 -0.08 -0.03 -0.04 2.99 2.86 1cy6A1 LYS 186 HE3 0.01 0.03 0.03 -0.04 2.99 3.02 1cy6A1 ILE 187 H 0.10 0.63 0.11 -0.55 8.25 8.53 1cy6A1 ILE 187 HA 0.07 0.15 1.18 -0.75 4.18 4.82 1cy6A1 ILE 187 HB 0.11 -0.02 0.16 -0.04 1.89 2.10 1cy6A1 ILE 187 HG12 0.06 0.05 -0.12 -0.04 1.49 1.44 1cy6A1 ILE 187 HG13 0.07 -0.04 -0.11 -0.04 1.21 1.09 1cy6A1 ILE 187 HG23 0.08 -0.02 -0.11 -0.04 0.93 0.84 1cy6A1 ILE 187 HD13 0.08 -0.02 -0.06 -0.04 0.88 0.83 1cy6A1 ALA 188 H 0.16 0.33 0.10 -0.55 8.40 8.44 1cy6A1 ALA 188 HA 0.08 0.08 0.49 -0.75 4.34 4.23 1cy6A1 ALA 188 HB3 0.07 0.03 -0.04 -0.04 1.41 1.42 1cy6A1 ARG 189 H 0.02 0.13 0.16 -0.55 8.46 8.21 1cy6A1 ARG 189 HA -0.10 0.00 0.47 -0.75 4.34 3.96 1cy6A1 ARG 189 HB2 -0.17 -0.00 0.04 -0.04 1.90 1.73 1cy6A1 ARG 189 HB3 -0.43 -0.03 0.11 -0.04 1.80 1.41 1cy6A1 ARG 189 HG2 -0.03 0.00 0.14 -0.04 1.67 1.75 1cy6A1 ARG 189 HG3 -0.10 -0.02 0.05 -0.04 1.67 1.56 1cy6A1 ARG 189 HD2 0.13 0.04 0.00 -0.04 3.22 3.35 1cy6A1 ARG 189 HD3 0.05 0.07 -0.01 -0.04 3.22 3.29 1cy6A1 GLY 190 H -0.93 0.12 0.16 -0.55 8.43 7.24 1cy6A1 GLY 190 HA2 -0.15 -0.02 0.34 -0.51 4.01 3.67 1cy6A1 GLY 190 HA3 -0.07 0.14 0.62 -0.51 4.01 4.18 1cy6A1 LEU 191 H 0.39 0.24 -0.25 -0.55 8.37 8.21 1cy6A1 LEU 191 HA 0.14 0.09 0.47 -0.75 4.35 4.29 1cy6A1 LEU 191 HB2 0.28 -0.02 -0.02 -0.04 1.64 1.84 1cy6A1 LEU 191 HB3 0.24 -0.04 -0.01 -0.04 1.64 1.79 1cy6A1 LEU 191 HG 0.16 0.14 -0.14 -0.04 1.64 1.76 1cy6A1 LEU 191 HD13 0.16 -0.02 -0.03 -0.04 0.93 1.00 1cy6A1 LEU 191 HD23 0.10 -0.01 -0.06 -0.04 0.89 0.89 1cy6A1 SER 192 H 0.22 0.19 0.17 -0.55 8.46 8.49 1cy6A1 SER 192 HA 0.10 0.19 0.95 -0.75 4.49 4.98 1cy6A1 SER 192 HB2 0.13 -0.04 0.02 -0.04 3.95 4.01 1cy6A1 SER 192 HB3 0.10 -0.01 -0.04 -0.04 3.93 3.93 1cy6A1 ALA 193 H 0.02 0.25 0.19 -0.55 8.40 8.32 1cy6A1 ALA 193 HA 0.01 0.17 0.88 -0.75 4.34 4.65 1cy6A1 ALA 193 HB3 -0.07 0.04 -0.09 -0.04 1.41 1.24 1cy6A1 GLY 194 H -0.03 0.25 0.08 -0.55 8.43 8.18 1cy6A1 GLY 194 HA2 0.00 0.23 0.85 -0.51 4.01 4.59 1cy6A1 GLY 194 HA3 0.01 -0.06 0.26 -0.51 4.01 3.72 1cy6A1 ARG 195 H -0.03 0.24 0.15 -0.55 8.46 8.26 1cy6A1 ARG 195 HA -0.03 0.15 0.35 -0.75 4.34 4.06 1cy6A1 ARG 195 HB2 -0.08 0.07 0.12 -0.04 1.90 1.98 1cy6A1 ARG 195 HB3 -0.06 -0.09 0.13 -0.04 1.80 1.73 1cy6A1 ARG 195 HG2 -0.05 0.03 -0.21 -0.04 1.67 1.40 1cy6A1 ARG 195 HG3 -0.03 0.06 0.03 -0.04 1.67 1.69 1cy6A1 ARG 195 HD2 -0.19 0.04 -0.05 -0.04 3.22 2.98 1cy6A1 ARG 195 HD3 -0.27 0.03 -0.11 -0.04 3.22 2.83 1cy6A1 VAL 196 H -0.02 -0.01 -0.08 -0.55 8.24 7.58 1cy6A1 VAL 196 HA 0.00 0.32 0.85 -0.75 4.13 4.54 1cy6A1 VAL 196 HB -0.01 -0.07 0.01 -0.04 2.12 2.00 1cy6A1 VAL 196 HG13 0.00 0.02 -0.10 -0.04 0.97 0.85 1cy6A1 VAL 196 HG23 -0.03 0.03 -0.07 -0.04 0.95 0.85 1cy6A1 GLN 197 H -0.00 -0.03 -0.14 -0.55 8.47 7.75 1cy6A1 GLN 197 HA 0.00 0.07 0.35 -0.75 4.36 4.02 1cy6A1 GLN 197 HB2 0.02 -0.03 0.02 -0.04 2.15 2.13 1cy6A1 GLN 197 HB3 0.05 0.06 -0.04 -0.04 2.02 2.05 1cy6A1 GLN 197 HG2 0.05 0.07 -0.04 -0.04 2.40 2.44 1cy6A1 GLN 197 HG3 0.02 -0.01 0.02 -0.04 2.39 2.38 1cy6A1 GLN 197 HE21 0.03 0.05 0.02 -0.04 6.97 7.03 1cy6A1 GLN 197 HE22 0.04 0.07 -0.03 -0.04 7.69 7.73 1cy6A1 SER 198 H -0.03 0.57 -0.27 -0.55 8.46 8.18 1cy6A1 SER 198 HA -0.12 0.04 0.40 -0.75 4.49 4.06 1cy6A1 SER 198 HB2 -0.06 0.20 0.01 -0.04 3.95 4.06 1cy6A1 SER 198 HB3 -0.09 0.04 -0.05 -0.04 3.93 3.79 1cy6A1 VAL 199 H -0.01 0.22 -0.38 -0.55 8.24 7.52 1cy6A1 VAL 199 HA 0.01 0.14 0.49 -0.75 4.13 4.02 1cy6A1 VAL 199 HB 0.05 0.05 0.13 -0.04 2.12 2.30 1cy6A1 VAL 199 HG13 0.21 -0.00 -0.07 -0.04 0.97 1.07 1cy6A1 VAL 199 HG23 0.02 0.03 0.07 -0.04 0.95 1.03 1cy6A1 ALA 200 H -0.01 0.44 -0.17 -0.55 8.40 8.12 1cy6A1 ALA 200 HA -0.05 0.03 0.42 -0.75 4.34 3.98 1cy6A1 ALA 200 HB3 -0.06 0.01 0.03 -0.04 1.41 1.35 1cy6A1 VAL 201 H -0.05 0.48 -0.17 -0.55 8.24 7.95 1cy6A1 VAL 201 HA -0.06 -0.01 0.40 -0.75 4.13 3.70 1cy6A1 VAL 201 HB -0.13 0.11 0.10 -0.04 2.12 2.17 1cy6A1 VAL 201 HG13 -0.09 -0.00 -0.10 -0.04 0.97 0.74 1cy6A1 VAL 201 HG23 0.01 0.01 0.01 -0.04 0.95 0.94 1cy6A1 ARG 202 H -0.01 0.32 -0.49 -0.55 8.46 7.73 1cy6A1 ARG 202 HA 0.01 0.04 0.44 -0.75 4.34 4.07 1cy6A1 ARG 202 HB2 -0.03 0.07 0.14 -0.04 1.90 2.04 1cy6A1 ARG 202 HB3 0.07 0.18 0.20 -0.04 1.80 2.21 1cy6A1 ARG 202 HG2 0.13 -0.05 -0.23 -0.04 1.67 1.48 1cy6A1 ARG 202 HG3 0.01 -0.05 0.05 -0.04 1.67 1.64 1cy6A1 ARG 202 HD2 -0.12 0.01 0.03 -0.04 3.22 3.10 1cy6A1 ARG 202 HD3 -0.34 0.11 0.06 -0.04 3.22 3.01 1cy6A1 LEU 203 H 0.07 0.38 -0.21 -0.55 8.37 8.06 1cy6A1 LEU 203 HA 0.17 0.05 0.40 -0.75 4.35 4.22 1cy6A1 LEU 203 HB2 -0.13 0.11 0.12 -0.04 1.64 1.71 1cy6A1 LEU 203 HB3 0.02 -0.06 -0.03 -0.04 1.64 1.53 1cy6A1 LEU 203 HG 0.07 0.17 0.08 -0.04 1.64 1.92 1cy6A1 LEU 203 HD13 -0.21 -0.02 -0.04 -0.04 0.93 0.61 1cy6A1 LEU 203 HD23 -0.25 -0.01 -0.00 -0.04 0.89 0.59 1cy6A1 VAL 204 H -0.03 0.35 -0.23 -0.55 8.24 7.79 1cy6A1 VAL 204 HA 0.21 0.01 0.39 -0.75 4.13 3.99 1cy6A1 VAL 204 HB -0.03 0.14 -0.01 -0.04 2.12 2.18 1cy6A1 VAL 204 HG13 0.08 -0.02 -0.17 -0.04 0.97 0.81 1cy6A1 VAL 204 HG23 -0.34 0.04 -0.04 -0.04 0.95 0.56 1cy6A1 VAL 205 H 0.05 0.41 -0.36 -0.55 8.24 7.79 1cy6A1 VAL 205 HA 0.06 0.01 0.49 -0.75 4.13 3.94 1cy6A1 VAL 205 HB 0.03 0.14 0.16 -0.04 2.12 2.41 1cy6A1 VAL 205 HG13 0.04 -0.01 -0.11 -0.04 0.97 0.85 1cy6A1 VAL 205 HG23 0.04 0.04 -0.10 -0.04 0.95 0.89 1cy6A1 GLU 206 H 0.08 0.50 -0.08 -0.55 8.60 8.55 1cy6A1 GLU 206 HA 0.05 0.05 0.41 -0.75 4.29 4.05 1cy6A1 GLU 206 HB2 0.10 0.07 0.13 -0.04 2.09 2.35 1cy6A1 GLU 206 HB3 0.07 -0.03 0.03 -0.04 1.99 2.02 1cy6A1 GLU 206 HG2 0.07 -0.03 0.03 -0.04 2.34 2.37 1cy6A1 GLU 206 HG3 0.10 0.27 0.10 -0.04 2.34 2.77 1cy6A1 ARG 207 H 0.07 0.41 -0.20 -0.55 8.46 8.19 1cy6A1 ARG 207 HA -0.05 0.05 0.46 -0.75 4.34 4.04 1cy6A1 ARG 207 HB2 -0.10 -0.01 0.10 -0.04 1.90 1.86 1cy6A1 ARG 207 HB3 0.03 0.06 0.14 -0.04 1.80 1.99 1cy6A1 ARG 207 HG2 -0.39 -0.17 0.05 -0.04 1.67 1.13 1cy6A1 ARG 207 HG3 -0.14 0.03 -0.23 -0.04 1.67 1.29 1cy6A1 ARG 207 HD2 -0.27 0.35 -0.09 -0.04 3.22 3.17 1cy6A1 ARG 207 HD3 -0.16 -0.08 0.07 -0.04 3.22 3.02 1cy6A1 GLU 208 H 0.03 0.46 -0.17 -0.55 8.60 8.37 1cy6A1 GLU 208 HA -0.00 0.02 0.43 -0.75 4.29 3.99 1cy6A1 GLU 208 HB2 0.05 0.06 0.23 -0.04 2.09 2.39 1cy6A1 GLU 208 HB3 0.05 0.13 0.17 -0.04 1.99 2.30 1cy6A1 GLU 208 HG2 0.08 0.02 0.05 -0.04 2.34 2.46 1cy6A1 GLU 208 HG3 0.06 0.01 -0.06 -0.04 2.34 2.31 1cy6A1 ARG 209 H 0.03 0.46 -0.23 -0.55 8.46 8.16 1cy6A1 ARG 209 HA 0.04 0.03 0.47 -0.75 4.34 4.12 1cy6A1 ARG 209 HB2 0.04 0.11 0.15 -0.04 1.90 2.16 1cy6A1 ARG 209 HB3 0.04 -0.02 0.02 -0.04 1.80 1.79 1cy6A1 ARG 209 HG2 0.04 -0.03 0.02 -0.04 1.67 1.66 1cy6A1 ARG 209 HG3 0.04 -0.03 0.02 -0.04 1.67 1.66 1cy6A1 ARG 209 HD2 0.04 0.05 -0.06 -0.04 3.22 3.21 1cy6A1 ARG 209 HD3 0.03 -0.02 -0.02 -0.04 3.22 3.18 1cy6A1 GLU 210 H 0.01 0.43 -0.15 -0.55 8.60 8.35 1cy6A1 GLU 210 HA 0.04 0.03 0.43 -0.75 4.29 4.04 1cy6A1 GLU 210 HB2 -0.04 0.08 0.10 -0.04 2.09 2.18 1cy6A1 GLU 210 HB3 0.00 -0.05 0.07 -0.04 1.99 1.97 1cy6A1 GLU 210 HG2 0.02 -0.07 0.04 -0.04 2.34 2.29 1cy6A1 GLU 210 HG3 0.00 0.50 0.18 -0.04 2.34 2.98 1cy6A1 ILE 211 H -0.01 0.46 -0.19 -0.55 8.25 7.96 1cy6A1 ILE 211 HA -0.03 0.02 0.44 -0.75 4.18 3.85 1cy6A1 ILE 211 HB -0.01 0.15 0.18 -0.04 1.89 2.17 1cy6A1 ILE 211 HG12 -0.13 0.07 -0.02 -0.04 1.49 1.37 1cy6A1 ILE 211 HG13 -0.10 0.11 0.07 -0.04 1.21 1.25 1cy6A1 ILE 211 HG23 -0.01 -0.03 -0.11 -0.04 0.93 0.75 1cy6A1 ILE 211 HD13 -0.12 -0.04 -0.11 -0.04 0.88 0.58 1cy6A1 LYS 212 H 0.04 0.35 -0.15 -0.55 8.42 8.11 1cy6A1 LYS 212 HA 0.06 0.06 0.51 -0.75 4.32 4.19 1cy6A1 LYS 212 HB2 0.05 0.11 0.15 -0.04 1.87 2.14 1cy6A1 LYS 212 HB3 0.05 0.00 -0.01 -0.04 1.79 1.79 1cy6A1 LYS 212 HG2 0.06 -0.02 0.05 -0.04 1.46 1.51 1cy6A1 LYS 212 HG3 0.05 -0.06 0.02 -0.04 1.46 1.43 1cy6A1 LYS 212 HD2 0.04 -0.05 0.02 -0.04 1.69 1.66 1cy6A1 LYS 212 HD3 0.05 0.07 0.13 -0.04 1.68 1.89 1cy6A1 LYS 212 HE2 0.04 -0.02 0.04 -0.04 2.99 3.00 1cy6A1 LYS 212 HE3 0.05 0.04 0.05 -0.04 2.99 3.09 1cy6A1 ALA 213 H 0.08 0.28 -0.45 -0.55 8.40 7.76 1cy6A1 ALA 213 HA 0.05 0.12 0.75 -0.75 4.34 4.52 1cy6A1 ALA 213 HB3 0.06 -0.03 0.10 -0.04 1.41 1.49 1cy6A1 PHE 214 H 0.21 0.25 -0.36 -0.55 8.34 7.88 1cy6A1 PHE 214 HA 0.01 -0.03 0.46 -0.75 4.62 4.30 1cy6A1 PHE 214 HB2 -0.00 0.12 0.16 -0.04 3.15 3.39 1cy6A1 PHE 214 HB3 0.01 0.05 0.09 -0.04 3.06 3.16 1cy6A1 PHE 214 HD2 0.01 0.02 -0.12 -0.04 7.28 7.15 1cy6A1 PHE 214 HE2 0.02 -0.01 -0.34 -0.04 7.38 7.01 1cy6A1 PHE 214 HZ 0.01 -0.08 -0.25 -0.04 7.32 6.97 1cy6A1 VAL 215 H -0.58 0.11 0.12 -0.55 8.24 7.33 1cy6A1 VAL 215 HA -0.15 0.22 0.87 -0.75 4.13 4.32 1cy6A1 VAL 215 HB -0.22 -0.07 0.18 -0.04 2.12 1.96 1cy6A1 VAL 215 HG13 -0.09 0.01 -0.10 -0.04 0.97 0.75 1cy6A1 VAL 215 HG23 -0.07 0.03 -0.04 -0.04 0.95 0.83 1cy6A1 PRO 216 HA -0.10 -0.00 0.37 -0.51 4.44 4.20 1cy6A1 PRO 216 HB2 0.05 -0.05 0.04 -0.04 2.28 2.28 1cy6A1 PRO 216 HB3 0.14 0.13 0.06 -0.04 2.02 2.31 1cy6A1 PRO 216 HG2 0.08 -0.00 0.05 -0.04 2.03 2.12 1cy6A1 PRO 216 HG3 0.22 0.06 -0.02 -0.04 2.03 2.25 1cy6A1 PRO 216 HD2 -0.02 0.04 0.18 -0.04 3.68 3.84 1cy6A1 PRO 216 HD3 -0.01 0.41 0.02 -0.04 3.65 4.03 1cy6A1 GLU 217 H 0.05 0.06 0.26 -0.55 8.60 8.42 1cy6A1 GLU 217 HA 0.02 0.18 0.97 -0.75 4.29 4.72 1cy6A1 GLU 217 HB2 0.03 -0.07 0.12 -0.04 2.09 2.13 1cy6A1 GLU 217 HB3 0.04 0.05 0.05 -0.04 1.99 2.09 1cy6A1 GLU 217 HG2 -0.03 -0.02 0.02 -0.04 2.34 2.27 1cy6A1 GLU 217 HG3 -0.11 0.22 -0.20 -0.04 2.34 2.21 1cy6A1 GLU 218 H 0.08 0.15 0.20 -0.55 8.60 8.49 1cy6A1 GLU 218 HA 0.07 0.22 0.82 -0.75 4.29 4.64 1cy6A1 GLU 218 HB2 0.07 -0.01 0.09 -0.04 2.09 2.20 1cy6A1 GLU 218 HB3 0.11 0.04 0.20 -0.04 1.99 2.30 1cy6A1 GLU 218 HG2 0.12 -0.03 -0.28 -0.04 2.34 2.12 1cy6A1 GLU 218 HG3 -0.09 0.09 0.03 -0.04 2.34 2.33 1cy6A1 PHE 219 H -0.19 0.35 0.11 -0.55 8.34 8.06 1cy6A1 PHE 219 HA 0.12 0.23 0.69 -0.75 4.62 4.90 1cy6A1 PHE 219 HB2 -0.01 0.09 0.05 -0.04 3.15 3.25 1cy6A1 PHE 219 HB3 -0.00 0.02 -0.27 -0.04 3.06 2.76 1cy6A1 PHE 219 HD2 -0.04 0.11 -0.22 -0.04 7.28 7.08 1cy6A1 PHE 219 HE2 -0.11 0.01 -0.24 -0.04 7.38 7.00 1cy6A1 PHE 219 HZ -0.17 0.02 -0.08 -0.04 7.32 7.04 1cy6A1 TRP 220 H 0.32 0.45 0.13 -0.55 7.97 8.32 1cy6A1 TRP 220 HA -0.25 0.21 1.13 -0.75 4.62 4.96 1cy6A1 TRP 220 HB2 -0.12 -0.07 -0.02 -0.04 3.23 2.97 1cy6A1 TRP 220 HB3 -0.08 0.05 0.04 -0.04 3.23 3.20 1cy6A1 TRP 220 HD1 -0.07 -0.00 -0.54 -0.04 7.22 6.56 1cy6A1 TRP 220 HE1 -0.06 -0.04 -0.37 -0.04 10.20 9.70 1cy6A1 TRP 220 HE3 -0.05 0.05 -0.27 -0.04 7.59 7.28 1cy6A1 TRP 220 HZ2 -0.05 -0.03 -0.11 -0.04 7.44 7.21 1cy6A1 TRP 220 HZ3 -0.05 0.07 -0.22 -0.04 7.13 6.90 1cy6A1 TRP 220 HH2 -0.05 0.03 -0.06 -0.04 7.19 7.07 1cy6A1 GLU 221 H 0.20 0.59 0.40 -0.55 8.60 9.24 1cy6A1 GLU 221 HA 0.18 0.20 0.81 -0.75 4.29 4.72 1cy6A1 GLU 221 HB2 0.14 -0.00 0.06 -0.04 2.09 2.24 1cy6A1 GLU 221 HB3 0.12 -0.01 0.05 -0.04 1.99 2.11 1cy6A1 GLU 221 HG2 0.09 0.11 -0.01 -0.04 2.34 2.49 1cy6A1 GLU 221 HG3 -0.14 -0.03 -0.33 -0.04 2.34 1.80 1cy6A1 VAL 222 H 0.29 0.29 0.19 -0.55 8.24 8.47 1cy6A1 VAL 222 HA 0.18 0.18 1.04 -0.75 4.13 4.77 1cy6A1 VAL 222 HB 0.25 -0.04 0.09 -0.04 2.12 2.38 1cy6A1 VAL 222 HG13 0.03 0.01 -0.19 -0.04 0.97 0.79 1cy6A1 VAL 222 HG23 0.38 -0.01 -0.21 -0.04 0.95 1.07 1cy6A1 ASP 223 H 0.09 0.53 0.24 -0.55 8.40 8.72 1cy6A1 ASP 223 HA 0.06 0.18 1.12 -0.75 4.63 5.24 1cy6A1 ASP 223 HB2 0.06 0.07 0.15 -0.04 2.71 2.94 1cy6A1 ASP 223 HB3 0.04 -0.01 0.14 -0.04 2.70 2.83 1cy6A1 ALA 224 H 0.03 0.68 0.36 -0.55 8.40 8.92 1cy6A1 ALA 224 HA -0.01 0.19 0.85 -0.75 4.34 4.62 1cy6A1 ALA 224 HB3 -0.00 0.00 -0.14 -0.04 1.41 1.23 1cy6A1 SER 225 H -0.04 0.47 0.33 -0.55 8.46 8.67 1cy6A1 SER 225 HA -0.03 0.23 1.09 -0.75 4.49 5.03 1cy6A1 SER 225 HB2 -0.03 0.05 0.03 -0.04 3.95 3.96 1cy6A1 SER 225 HB3 -0.01 0.01 0.05 -0.04 3.93 3.93 1cy6A1 THR 226 H -0.05 0.76 0.38 -0.55 8.28 8.82 1cy6A1 THR 226 HA -0.12 0.21 1.10 -0.75 4.39 4.83 1cy6A1 THR 226 HB -0.13 -0.04 0.03 -0.04 4.32 4.14 1cy6A1 THR 226 HG23 -0.28 -0.03 -0.37 -0.04 1.22 0.49 1cy6A1 THR 227 H -0.08 0.32 0.31 -0.55 8.28 8.28 1cy6A1 THR 227 HA -0.03 0.25 0.88 -0.75 4.39 4.74 1cy6A1 THR 227 HB -0.03 -0.10 0.11 -0.04 4.32 4.26 1cy6A1 THR 227 HG23 -0.02 0.12 -0.10 -0.04 1.22 1.18 1cy6A1 THR 228 H -0.01 0.45 0.12 -0.55 8.28 8.29 1cy6A1 THR 228 HA -0.00 0.16 0.57 -0.75 4.39 4.36 1cy6A1 THR 228 HB 0.00 0.05 0.16 -0.04 4.32 4.50 1cy6A1 THR 228 HG23 0.00 0.07 -0.17 -0.04 1.22 1.08 1cy6A1 PRO 229 HA 0.00 0.18 0.52 -0.51 4.44 4.63 1cy6A1 PRO 229 HB2 0.00 -0.03 0.13 -0.04 2.28 2.34 1cy6A1 PRO 229 HB3 0.00 0.05 0.13 -0.04 2.02 2.16 1cy6A1 PRO 229 HG2 0.01 -0.03 0.14 -0.04 2.03 2.10 1cy6A1 PRO 229 HG3 0.01 0.17 0.15 -0.04 2.03 2.31 1cy6A1 PRO 229 HD2 0.01 0.08 0.25 -0.04 3.68 3.98 1cy6A1 PRO 229 HD3 0.01 0.14 0.18 -0.04 3.65 3.94 1cy6A1 SER 230 H 0.00 0.13 -0.01 -0.55 8.46 8.03 1cy6A1 SER 230 HA 0.00 0.10 0.37 -0.75 4.49 4.21 1cy6A1 SER 230 HB2 0.00 0.04 0.08 -0.04 3.95 4.02 1cy6A1 SER 230 HB3 0.00 0.01 0.10 -0.04 3.93 4.00 1cy6A1 GLY 231 H -0.00 0.06 -0.96 -0.55 8.43 6.98 1cy6A1 GLY 231 HA2 -0.01 0.12 0.19 -0.51 4.01 3.80 1cy6A1 GLY 231 HA3 -0.00 0.16 0.68 -0.51 4.01 4.34 1cy6A1 GLU 232 H -0.00 -0.06 -0.08 -0.55 8.60 7.91 1cy6A1 GLU 232 HA -0.00 0.16 0.65 -0.75 4.29 4.34 1cy6A1 GLU 232 HB2 0.00 -0.04 0.02 -0.04 2.09 2.03 1cy6A1 GLU 232 HB3 0.00 0.09 0.07 -0.04 1.99 2.11 1cy6A1 GLU 232 HG2 0.00 -0.08 -0.20 -0.04 2.34 2.02 1cy6A1 GLU 232 HG3 0.00 -0.04 -0.01 -0.04 2.34 2.25 1cy6A1 ALA 233 H -0.00 0.10 0.18 -0.55 8.40 8.13 1cy6A1 ALA 233 HA -0.01 0.29 0.62 -0.75 4.34 4.48 1cy6A1 ALA 233 HB3 -0.01 -0.00 0.09 -0.04 1.41 1.45 1cy6A1 LEU 234 H -0.02 0.50 0.25 -0.55 8.37 8.56 1cy6A1 LEU 234 HA 0.00 0.15 0.80 -0.75 4.35 4.55 1cy6A1 LEU 234 HB2 -0.00 0.04 -0.28 -0.04 1.64 1.36 1cy6A1 LEU 234 HB3 -0.01 -0.09 -0.12 -0.04 1.64 1.38 1cy6A1 LEU 234 HG 0.01 0.03 -0.42 -0.04 1.64 1.22 1cy6A1 LEU 234 HD13 0.01 0.00 -0.06 -0.04 0.93 0.85 1cy6A1 LEU 234 HD23 0.02 -0.02 -0.26 -0.04 0.89 0.59 1cy6A1 ALA 235 H 0.01 0.22 0.13 -0.55 8.40 8.21 1cy6A1 ALA 235 HA 0.00 0.18 1.02 -0.75 4.34 4.79 1cy6A1 ALA 235 HB3 0.01 0.01 0.09 -0.04 1.41 1.47 1cy6A1 LEU 236 H 0.01 1.03 0.49 -0.55 8.37 9.35 1cy6A1 LEU 236 HA 0.04 0.32 1.06 -0.75 4.35 5.02 1cy6A1 LEU 236 HB2 0.04 -0.01 -0.05 -0.04 1.64 1.58 1cy6A1 LEU 236 HB3 0.06 -0.07 -0.07 -0.04 1.64 1.52 1cy6A1 LEU 236 HG 0.02 -0.03 -0.55 -0.04 1.64 1.05 1cy6A1 LEU 236 HD13 0.09 -0.02 -0.28 -0.04 0.93 0.68 1cy6A1 LEU 236 HD23 0.04 0.03 -0.34 -0.04 0.89 0.58 1cy6A1 GLN 237 H 0.06 0.42 0.34 -0.55 8.47 8.74 1cy6A1 GLN 237 HA 0.07 0.14 1.02 -0.75 4.36 4.84 1cy6A1 GLN 237 HB2 0.06 0.00 -0.02 -0.04 2.15 2.15 1cy6A1 GLN 237 HB3 0.06 0.04 0.18 -0.04 2.02 2.26 1cy6A1 GLN 237 HG2 0.09 0.04 -0.17 -0.04 2.40 2.32 1cy6A1 GLN 237 HG3 0.10 0.03 0.07 -0.04 2.39 2.55 1cy6A1 GLN 237 HE21 0.04 -0.02 -0.02 -0.04 6.97 6.93 1cy6A1 GLN 237 HE22 0.08 -0.00 0.01 -0.04 7.69 7.73 1cy6A1 VAL 238 H 0.08 0.58 0.34 -0.55 8.24 8.70 1cy6A1 VAL 238 HA 0.04 0.03 0.66 -0.75 4.13 4.10 1cy6A1 VAL 238 HB 0.01 -0.01 0.18 -0.04 2.12 2.26 1cy6A1 VAL 238 HG13 -0.39 -0.01 -0.09 -0.04 0.97 0.44 1cy6A1 VAL 238 HG23 -0.17 0.01 -0.07 -0.04 0.95 0.68 1cy6A1 THR 239 H 0.13 0.44 0.51 -0.55 8.28 8.81 1cy6A1 THR 239 HA 0.14 0.23 1.08 -0.75 4.39 5.09 1cy6A1 THR 239 HB 0.18 -0.02 0.03 -0.04 4.32 4.47 1cy6A1 THR 239 HG23 0.12 0.03 -0.13 -0.04 1.22 1.21 1cy6A1 HIS 240 H 0.24 0.29 0.38 -0.55 8.41 8.78 1cy6A1 HIS 240 HA 0.10 0.35 0.91 -0.75 4.63 5.24 1cy6A1 HIS 240 HB2 0.01 -0.06 -0.01 -0.04 3.26 3.16 1cy6A1 HIS 240 HB3 -0.00 -0.10 -0.12 -0.04 3.20 2.94 1cy6A1 HIS 240 HD2 0.02 0.02 -0.39 -0.04 6.97 6.58 1cy6A1 HIS 240 HE1 0.03 0.01 -0.13 -0.04 7.75 7.62 1cy6A1 GLN 241 H 0.06 0.76 0.18 -0.55 8.47 8.92 1cy6A1 GLN 241 HA -0.52 0.22 0.82 -0.75 4.36 4.13 1cy6A1 GLN 241 HB2 -0.38 -0.00 -0.08 -0.04 2.15 1.64 1cy6A1 GLN 241 HB3 0.07 0.06 0.01 -0.04 2.02 2.11 1cy6A1 GLN 241 HG2 -0.18 0.02 -0.25 -0.04 2.40 1.96 1cy6A1 GLN 241 HG3 -0.76 -0.02 -0.07 -0.04 2.39 1.50 1cy6A1 GLN 241 HE21 0.37 -0.04 -0.05 -0.04 6.97 7.20 1cy6A1 GLN 241 HE22 0.32 0.03 -0.06 -0.04 7.69 7.94 1cy6A1 ASN 242 H -0.26 0.66 0.28 -0.55 8.53 8.67 1cy6A1 ASN 242 HA -0.10 0.02 0.37 -0.75 4.76 4.29 1cy6A1 ASN 242 HB2 -0.08 0.23 -0.11 -0.04 2.88 2.88 1cy6A1 ASN 242 HB3 -0.05 0.00 0.24 -0.04 2.79 2.94 1cy6A1 ASN 242 HD21 -0.08 -0.03 -0.02 -0.04 7.03 6.85 1cy6A1 ASN 242 HD22 -0.07 0.04 -0.08 -0.04 7.74 7.59 1cy6A1 ASP 243 H -0.03 0.09 -0.21 -0.55 8.40 7.69 1cy6A1 ASP 243 HA 0.04 -0.03 0.17 -0.75 4.63 4.06 1cy6A1 ASP 243 HB2 -0.01 0.15 -0.32 -0.04 2.71 2.48 1cy6A1 ASP 243 HB3 0.01 0.00 0.20 -0.04 2.70 2.87 1cy6A1 LYS 244 H 0.07 0.09 -0.37 -0.55 8.42 7.66 1cy6A1 LYS 244 HA 0.07 0.15 0.74 -0.75 4.32 4.52 1cy6A1 LYS 244 HB2 0.02 0.12 -0.06 -0.04 1.87 1.91 1cy6A1 LYS 244 HB3 0.02 0.06 -0.03 -0.04 1.79 1.80 1cy6A1 LYS 244 HG2 0.01 -0.07 0.01 -0.04 1.46 1.37 1cy6A1 LYS 244 HG3 0.02 -0.02 0.11 -0.04 1.46 1.52 1cy6A1 LYS 244 HD2 0.02 0.19 -0.02 -0.04 1.69 1.85 1cy6A1 LYS 244 HD3 0.01 0.18 -0.21 -0.04 1.68 1.62 1cy6A1 LYS 244 HE2 0.00 -0.03 0.01 -0.04 2.99 2.93 1cy6A1 LYS 244 HE3 0.00 -0.05 0.00 -0.04 2.99 2.90 1cy6A1 PRO 245 HA -0.31 0.22 0.55 -0.51 4.44 4.39 1cy6A1 PRO 245 HB2 -0.04 -0.01 0.02 -0.04 2.28 2.21 1cy6A1 PRO 245 HB3 -0.10 0.06 0.08 -0.04 2.02 2.03 1cy6A1 PRO 245 HG2 -0.04 0.02 0.07 -0.04 2.03 2.05 1cy6A1 PRO 245 HG3 -0.12 0.03 0.07 -0.04 2.03 1.98 1cy6A1 PRO 245 HD2 -0.01 0.10 0.19 -0.04 3.68 3.92 1cy6A1 PRO 245 HD3 0.02 0.14 0.19 -0.04 3.65 3.95 1cy6A1 PHE 246 H 0.09 0.51 0.24 -0.55 8.34 8.62 1cy6A1 PHE 246 HA 0.04 0.06 0.70 -0.75 4.62 4.67 1cy6A1 PHE 246 HB2 0.10 -0.09 -0.37 -0.04 3.15 2.75 1cy6A1 PHE 246 HB3 0.07 0.08 -0.08 -0.04 3.06 3.08 1cy6A1 PHE 246 HD2 0.13 0.07 -0.10 -0.04 7.28 7.34 1cy6A1 PHE 246 HE2 0.15 -0.05 -0.10 -0.04 7.38 7.34 1cy6A1 PHE 246 HZ 0.07 -0.04 -0.10 -0.04 7.32 7.21 1cy6A1 ARG 247 H -0.17 0.12 -0.02 -0.55 8.46 7.84 1cy6A1 ARG 247 HA -0.21 0.23 0.54 -0.75 4.34 4.14 1cy6A1 ARG 247 HB2 -0.03 0.07 -0.35 -0.04 1.90 1.55 1cy6A1 ARG 247 HB3 -0.03 -0.06 0.07 -0.04 1.80 1.73 1cy6A1 ARG 247 HG2 0.08 0.03 -0.05 -0.04 1.67 1.69 1cy6A1 ARG 247 HG3 0.10 0.09 0.09 -0.04 1.67 1.91 1cy6A1 ARG 247 HD2 -0.08 -0.02 -0.04 -0.04 3.22 3.04 1cy6A1 ARG 247 HD3 -0.05 -0.04 -0.03 -0.04 3.22 3.06 1cy6A1 PRO 248 HA -0.08 0.07 0.50 -0.51 4.44 4.43 1cy6A1 PRO 248 HB2 -0.14 0.03 -0.05 -0.04 2.28 2.08 1cy6A1 PRO 248 HB3 -0.15 -0.13 -0.04 -0.04 2.02 1.66 1cy6A1 PRO 248 HG2 -0.31 0.03 -0.11 -0.04 2.03 1.60 1cy6A1 PRO 248 HG3 -0.39 0.06 -0.09 -0.04 2.03 1.57 1cy6A1 PRO 248 HD2 -0.28 0.18 0.05 -0.04 3.68 3.59 1cy6A1 PRO 248 HD3 -1.25 0.14 -0.07 -0.04 3.65 2.42 1cy6A1 VAL 249 H -0.00 -0.01 0.21 -0.55 8.24 7.89 1cy6A1 VAL 249 HA 0.20 0.36 1.03 -0.75 4.13 4.95 1cy6A1 VAL 249 HB 0.08 0.02 0.17 -0.04 2.12 2.35 1cy6A1 VAL 249 HG13 0.06 0.07 -0.02 -0.04 0.97 1.04 1cy6A1 VAL 249 HG23 0.02 -0.03 0.05 -0.04 0.95 0.94 1cy6A1 ASN 250 H -0.07 -0.03 0.08 -0.55 8.53 7.97 1cy6A1 ASN 250 HA 0.20 0.32 0.72 -0.75 4.76 5.25 1cy6A1 ASN 250 HB2 -0.01 -0.08 0.20 -0.04 2.88 2.95 1cy6A1 ASN 250 HB3 0.03 0.20 -0.13 -0.04 2.79 2.85 1cy6A1 ASN 250 HD21 -0.04 0.02 0.02 -0.04 7.03 6.99 1cy6A1 ASN 250 HD22 -0.01 0.17 -0.03 -0.04 7.74 7.83 1cy6A1 LYS 251 H -0.08 0.22 0.15 -0.55 8.42 8.16 1cy6A1 LYS 251 HA -1.10 0.17 0.47 -0.75 4.32 3.10 1cy6A1 LYS 251 HB2 0.01 0.06 0.11 -0.04 1.87 2.00 1cy6A1 LYS 251 HB3 -0.11 0.01 0.05 -0.04 1.79 1.70 1cy6A1 LYS 251 HG2 -0.23 -0.02 -0.00 -0.04 1.46 1.17 1cy6A1 LYS 251 HG3 -0.23 0.04 0.03 -0.04 1.46 1.25 1cy6A1 LYS 251 HD2 0.08 0.02 0.01 -0.04 1.69 1.76 1cy6A1 LYS 251 HD3 -0.02 -0.01 -0.02 -0.04 1.68 1.60 1cy6A1 LYS 251 HE2 0.04 0.02 -0.01 -0.04 2.99 3.01 1cy6A1 LYS 251 HE3 0.00 -0.00 -0.01 -0.04 2.99 2.94 1cy6A1 GLU 252 H -0.16 0.08 -0.02 -0.55 8.60 7.96 1cy6A1 GLU 252 HA -0.13 0.17 0.49 -0.75 4.29 4.06 1cy6A1 GLU 252 HB2 -0.07 -0.04 0.08 -0.04 2.09 2.02 1cy6A1 GLU 252 HB3 -0.06 0.07 0.00 -0.04 1.99 1.96 1cy6A1 GLU 252 HG2 -0.04 0.08 0.02 -0.04 2.34 2.36 1cy6A1 GLU 252 HG3 -0.07 -0.01 0.01 -0.04 2.34 2.23 1cy6A1 GLN 253 H -0.15 0.05 -0.15 -0.55 8.47 7.67 1cy6A1 GLN 253 HA -0.05 0.11 0.36 -0.75 4.36 4.03 1cy6A1 GLN 253 HB2 -0.15 -0.10 0.11 -0.04 2.15 1.97 1cy6A1 GLN 253 HB3 -0.07 0.10 0.01 -0.04 2.02 2.01 1cy6A1 GLN 253 HG2 -0.03 0.11 0.05 -0.04 2.40 2.49 1cy6A1 GLN 253 HG3 -0.05 -0.04 0.06 -0.04 2.39 2.31 1cy6A1 GLN 253 HE21 -0.00 0.12 0.05 -0.04 6.97 7.10 1cy6A1 GLN 253 HE22 -0.02 0.02 0.03 -0.04 7.69 7.68 1cy6A1 THR 254 H -0.40 0.23 -0.40 -0.55 8.28 7.17 1cy6A1 THR 254 HA -0.04 0.07 0.39 -0.75 4.39 4.05 1cy6A1 THR 254 HB -0.69 0.12 0.02 -0.04 4.32 3.73 1cy6A1 THR 254 HG23 -0.01 0.00 -0.08 -0.04 1.22 1.09 1cy6A1 GLN 255 H -0.22 0.31 -0.24 -0.55 8.47 7.78 1cy6A1 GLN 255 HA -0.08 0.06 0.48 -0.75 4.36 4.07 1cy6A1 GLN 255 HB2 -0.11 0.01 0.11 -0.04 2.15 2.11 1cy6A1 GLN 255 HB3 -0.13 0.08 0.26 -0.04 2.02 2.19 1cy6A1 GLN 255 HG2 -0.04 -0.04 -0.20 -0.04 2.40 2.08 1cy6A1 GLN 255 HG3 -0.05 -0.01 -0.02 -0.04 2.39 2.27 1cy6A1 GLN 255 HE21 -0.04 -0.04 0.01 -0.04 6.97 6.85 1cy6A1 GLN 255 HE22 -0.07 -0.03 0.03 -0.04 7.69 7.58 1cy6A1 ALA 256 H -0.05 0.52 -0.07 -0.55 8.40 8.26 1cy6A1 ALA 256 HA 0.00 0.05 0.43 -0.75 4.34 4.07 1cy6A1 ALA 256 HB3 0.01 0.02 0.06 -0.04 1.41 1.46 1cy6A1 ALA 257 H 0.05 0.33 -0.36 -0.55 8.40 7.88 1cy6A1 ALA 257 HA 0.21 0.04 0.46 -0.75 4.34 4.30 1cy6A1 ALA 257 HB3 0.28 0.04 0.08 -0.04 1.41 1.77 1cy6A1 VAL 258 H 0.01 0.69 -0.02 -0.55 8.24 8.37 1cy6A1 VAL 258 HA -0.08 -0.01 0.37 -0.75 4.13 3.66 1cy6A1 VAL 258 HB -0.02 0.07 0.16 -0.04 2.12 2.29 1cy6A1 VAL 258 HG13 -0.01 -0.01 -0.15 -0.04 0.97 0.76 1cy6A1 VAL 258 HG23 0.01 0.02 0.01 -0.04 0.95 0.96 1cy6A1 SER 259 H -0.00 0.41 -0.43 -0.55 8.46 7.88 1cy6A1 SER 259 HA -0.01 0.04 0.42 -0.75 4.49 4.19 1cy6A1 SER 259 HB2 -0.00 0.17 0.14 -0.04 3.95 4.22 1cy6A1 SER 259 HB3 0.01 0.05 0.02 -0.04 3.93 3.96 1cy6A1 LEU 260 H 0.02 0.37 -0.25 -0.55 8.37 7.96 1cy6A1 LEU 260 HA 0.04 0.06 0.55 -0.75 4.35 4.24 1cy6A1 LEU 260 HB2 0.17 0.15 0.17 -0.04 1.64 2.09 1cy6A1 LEU 260 HB3 0.17 -0.10 0.04 -0.04 1.64 1.71 1cy6A1 LEU 260 HG 0.09 0.25 0.12 -0.04 1.64 2.06 1cy6A1 LEU 260 HD13 0.15 -0.03 0.02 -0.04 0.93 1.03 1cy6A1 LEU 260 HD23 0.05 -0.02 0.00 -0.04 0.89 0.88 1cy6A1 LEU 261 H -0.13 0.43 -0.11 -0.55 8.37 8.02 1cy6A1 LEU 261 HA -0.15 -0.01 0.32 -0.75 4.35 3.75 1cy6A1 LEU 261 HB2 -0.18 0.10 0.06 -0.04 1.64 1.59 1cy6A1 LEU 261 HB3 -0.09 -0.01 -0.07 -0.04 1.64 1.42 1cy6A1 LEU 261 HG -1.04 0.06 -0.01 -0.04 1.64 0.61 1cy6A1 LEU 261 HD13 -0.50 -0.02 -0.13 -0.04 0.93 0.24 1cy6A1 LEU 261 HD23 -0.73 -0.02 -0.07 -0.04 0.89 0.04 1cy6A1 GLU 262 H -0.01 0.29 -0.46 -0.55 8.60 7.87 1cy6A1 GLU 262 HA 0.04 0.06 0.41 -0.75 4.29 4.04 1cy6A1 GLU 262 HB2 0.01 0.08 0.03 -0.04 2.09 2.16 1cy6A1 GLU 262 HB3 0.01 -0.04 0.05 -0.04 1.99 1.97 1cy6A1 GLU 262 HG2 -0.00 -0.09 -0.04 -0.04 2.34 2.17 1cy6A1 GLU 262 HG3 -0.01 0.53 0.14 -0.04 2.34 2.96 1cy6A1 LYS 263 H 0.02 0.27 -0.32 -0.55 8.42 7.84 1cy6A1 LYS 263 HA 0.03 0.16 0.78 -0.75 4.32 4.54 1cy6A1 LYS 263 HB2 0.02 0.08 0.12 -0.04 1.87 2.05 1cy6A1 LYS 263 HB3 0.02 -0.07 0.00 -0.04 1.79 1.70 1cy6A1 LYS 263 HG2 0.01 -0.06 0.01 -0.04 1.46 1.38 1cy6A1 LYS 263 HG3 0.02 0.01 -0.02 -0.04 1.46 1.42 1cy6A1 LYS 263 HD2 0.01 -0.08 -0.11 -0.04 1.69 1.48 1cy6A1 LYS 263 HD3 0.01 0.12 0.09 -0.04 1.68 1.86 1cy6A1 LYS 263 HE2 0.01 -0.03 -0.02 -0.04 2.99 2.90 1cy6A1 LYS 263 HE3 0.01 0.00 0.01 -0.04 2.99 2.97 1cy6A1 ALA 264 H 0.02 0.18 -0.11 -0.55 8.40 7.94 1cy6A1 ALA 264 HA -0.00 -0.04 0.32 -0.75 4.34 3.86 1cy6A1 ALA 264 HB3 -0.12 -0.00 -0.08 -0.04 1.41 1.16 1cy6A1 ARG 265 H -0.02 0.03 0.20 -0.55 8.46 8.12 1cy6A1 ARG 265 HA 0.13 0.18 0.79 -0.75 4.34 4.68 1cy6A1 ARG 265 HB2 0.01 -0.09 0.16 -0.04 1.90 1.94 1cy6A1 ARG 265 HB3 0.04 0.06 0.02 -0.04 1.80 1.88 1cy6A1 ARG 265 HG2 0.03 0.02 0.01 -0.04 1.67 1.68 1cy6A1 ARG 265 HG3 0.02 -0.04 0.04 -0.04 1.67 1.65 1cy6A1 ARG 265 HD2 0.04 -0.01 0.05 -0.04 3.22 3.26 1cy6A1 ARG 265 HD3 0.06 0.10 0.06 -0.04 3.22 3.40 1cy6A1 TYR 266 H 0.30 0.25 0.18 -0.55 8.29 8.47 1cy6A1 TYR 266 HA 0.00 0.34 0.96 -0.75 4.56 5.11 1cy6A1 TYR 266 HB2 -0.01 0.12 0.00 -0.04 3.06 3.14 1cy6A1 TYR 266 HB3 -0.00 -0.06 -0.15 -0.04 2.98 2.72 1cy6A1 TYR 266 HD2 -0.01 -0.01 -0.22 -0.04 7.15 6.87 1cy6A1 TYR 266 HE2 -0.04 0.11 -0.18 -0.04 6.85 6.70 1cy6A1 SER 267 H 0.05 0.47 0.31 -0.55 8.46 8.74 1cy6A1 SER 267 HA 0.06 0.21 0.82 -0.75 4.49 4.83 1cy6A1 SER 267 HB2 0.02 0.11 -0.09 -0.04 3.95 3.95 1cy6A1 SER 267 HB3 0.03 0.01 -0.29 -0.04 3.93 3.65 1cy6A1 VAL 268 H 0.03 0.47 0.16 -0.55 8.24 8.36 1cy6A1 VAL 268 HA 0.03 0.07 0.52 -0.75 4.13 3.99 1cy6A1 VAL 268 HB 0.02 -0.23 0.28 -0.04 2.12 2.15 1cy6A1 VAL 268 HG13 0.01 0.01 -0.30 -0.04 0.97 0.66 1cy6A1 VAL 268 HG23 0.02 0.02 -0.10 -0.04 0.95 0.86 1cy6A1 LEU 269 H 0.01 0.57 0.58 -0.55 8.37 8.99 1cy6A1 LEU 269 HA 0.00 0.12 0.64 -0.75 4.35 4.35 1cy6A1 LEU 269 HB2 -0.00 -0.06 0.02 -0.04 1.64 1.56 1cy6A1 LEU 269 HB3 -0.01 -0.01 -0.09 -0.04 1.64 1.49 1cy6A1 LEU 269 HG -0.02 -0.02 -0.04 -0.04 1.64 1.52 1cy6A1 LEU 269 HD13 -0.02 -0.01 -0.01 -0.04 0.93 0.85 1cy6A1 LEU 269 HD23 -0.01 0.01 -0.00 -0.04 0.89 0.85 1cy6A1 GLU 270 H 0.01 0.23 0.09 -0.55 8.60 8.38 1cy6A1 GLU 270 HA 0.00 0.04 0.41 -0.75 4.29 3.98 1cy6A1 GLU 270 HB2 -0.00 0.22 0.14 -0.04 2.09 2.41 1cy6A1 GLU 270 HB3 -0.00 -0.08 -0.21 -0.04 1.99 1.65 1cy6A1 GLU 270 HG2 0.00 -0.02 -0.46 -0.04 2.34 1.82 1cy6A1 GLU 270 HG3 0.00 -0.01 -0.03 -0.04 2.34 2.27 1cy6A1 ARG 271 H 0.01 0.22 0.14 -0.55 8.46 8.27 1cy6A1 ARG 271 HA 0.01 0.33 1.08 -0.75 4.34 5.00 1cy6A1 ARG 271 HB2 0.01 0.01 -0.05 -0.04 1.90 1.83 1cy6A1 ARG 271 HB3 0.01 -0.07 0.17 -0.04 1.80 1.86 1cy6A1 ARG 271 HG2 0.01 -0.05 -0.20 -0.04 1.67 1.39 1cy6A1 ARG 271 HG3 0.01 0.07 -0.15 -0.04 1.67 1.56 1cy6A1 ARG 271 HD2 0.01 0.07 0.01 -0.04 3.22 3.28 1cy6A1 ARG 271 HD3 0.01 -0.04 0.03 -0.04 3.22 3.18 1cy6A1 GLU 272 H 0.01 0.57 0.26 -0.55 8.60 8.90 1cy6A1 GLU 272 HA 0.01 0.14 0.92 -0.75 4.29 4.60 1cy6A1 GLU 272 HB2 0.01 -0.01 0.00 -0.04 2.09 2.04 1cy6A1 GLU 272 HB3 0.01 -0.02 0.16 -0.04 1.99 2.11 1cy6A1 GLU 272 HG2 0.01 0.03 -0.30 -0.04 2.34 2.04 1cy6A1 GLU 272 HG3 0.01 0.01 -0.01 -0.04 2.34 2.30 1cy6A1 ASP 273 H 0.01 0.22 0.17 -0.55 8.40 8.26 1cy6A1 ASP 273 HA 0.02 0.27 1.07 -0.75 4.63 5.24 1cy6A1 ASP 273 HB2 0.01 -0.04 0.04 -0.04 2.71 2.69 1cy6A1 ASP 273 HB3 0.01 -0.00 0.08 -0.04 2.70 2.75 1cy6A1 LYS 274 H 0.02 0.59 0.24 -0.55 8.42 8.72 1cy6A1 LYS 274 HA 0.02 0.17 0.80 -0.75 4.32 4.56 1cy6A1 LYS 274 HB2 0.02 0.10 -0.01 -0.04 1.87 1.94 1cy6A1 LYS 274 HB3 0.01 0.03 -0.15 -0.04 1.79 1.64 1cy6A1 LYS 274 HG2 0.02 -0.05 -0.24 -0.04 1.46 1.14 1cy6A1 LYS 274 HG3 0.02 -0.03 -0.04 -0.04 1.46 1.37 1cy6A1 LYS 274 HD2 0.01 -0.03 -0.11 -0.04 1.69 1.52 1cy6A1 LYS 274 HD3 0.02 0.04 -0.15 -0.04 1.68 1.54 1cy6A1 LYS 274 HE2 0.01 -0.02 -0.06 -0.04 2.99 2.88 1cy6A1 LYS 274 HE3 0.01 0.06 -0.05 -0.04 2.99 2.98 1cy6A1 PRO 275 HA 0.06 0.20 0.88 -0.51 4.44 5.07 1cy6A1 PRO 275 HB2 0.04 0.06 0.07 -0.04 2.28 2.41 1cy6A1 PRO 275 HB3 0.03 -0.01 0.15 -0.04 2.02 2.15 1cy6A1 PRO 275 HG2 0.03 0.02 0.19 -0.04 2.03 2.23 1cy6A1 PRO 275 HG3 0.02 0.02 0.11 -0.04 2.03 2.14 1cy6A1 PRO 275 HD2 0.02 0.10 0.29 -0.04 3.68 4.05 1cy6A1 PRO 275 HD3 0.02 0.12 0.17 -0.04 3.65 3.93 1cy6A1 THR 276 H 0.11 0.44 0.37 -0.55 8.28 8.65 1cy6A1 THR 276 HA 0.06 0.19 0.91 -0.75 4.39 4.80 1cy6A1 THR 276 HB 0.04 0.02 0.14 -0.04 4.32 4.47 1cy6A1 THR 276 HG23 0.02 0.02 -0.16 -0.04 1.22 1.06 1cy6A1 THR 277 H 0.09 0.26 0.24 -0.55 8.28 8.33 1cy6A1 THR 277 HA 0.25 0.36 0.92 -0.75 4.39 5.17 1cy6A1 THR 277 HB 0.15 0.03 0.03 -0.04 4.32 4.49 1cy6A1 THR 277 HG23 0.09 -0.00 -0.30 -0.04 1.22 0.96 1cy6A1 SER 278 H 0.28 0.38 0.23 -0.55 8.46 8.81 1cy6A1 SER 278 HA 0.15 0.09 0.81 -0.75 4.49 4.79 1cy6A1 SER 278 HB2 0.27 0.05 0.04 -0.04 3.95 4.27 1cy6A1 SER 278 HB3 0.18 0.00 -0.16 -0.04 3.93 3.92 1cy6A1 LYS 279 H 0.06 0.10 0.10 -0.55 8.42 8.13 1cy6A1 LYS 279 HA -0.01 0.10 0.59 -0.75 4.32 4.24 1cy6A1 LYS 279 HB2 -0.07 -0.03 0.02 -0.04 1.87 1.75 1cy6A1 LYS 279 HB3 -0.09 0.16 0.10 -0.04 1.79 1.91 1cy6A1 LYS 279 HG2 0.01 0.03 -0.01 -0.04 1.46 1.45 1cy6A1 LYS 279 HG3 0.04 -0.13 -0.00 -0.04 1.46 1.33 1cy6A1 LYS 279 HD2 -0.01 -0.03 0.00 -0.04 1.69 1.61 1cy6A1 LYS 279 HD3 -0.03 0.05 -0.00 -0.04 1.68 1.66 1cy6A1 LYS 279 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.91 1cy6A1 LYS 279 HE3 -0.01 0.02 -0.02 -0.04 2.99 2.95 1cy6A1 PRO 280 HA -2.07 0.02 0.51 -0.51 4.44 2.40 1cy6A1 PRO 280 HB2 -0.67 0.05 -0.17 -0.04 2.28 1.45 1cy6A1 PRO 280 HB3 -1.35 -0.02 0.00 -0.04 2.02 0.61 1cy6A1 PRO 280 HG2 -0.24 0.02 -0.09 -0.04 2.03 1.67 1cy6A1 PRO 280 HG3 -0.22 0.30 0.01 -0.04 2.03 2.08 1cy6A1 PRO 280 HD2 -0.21 0.02 0.17 -0.04 3.68 3.62 1cy6A1 PRO 280 HD3 -0.39 0.13 0.10 -0.04 3.65 3.44 1cy6A1 GLY 281 H -0.62 0.05 0.08 -0.55 8.43 7.40 1cy6A1 GLY 281 HA2 -0.24 0.07 0.54 -0.51 4.01 3.87 1cy6A1 GLY 281 HA3 -0.29 -0.04 0.30 -0.51 4.01 3.47 1cy6A1 ALA 282 H -0.29 -0.02 0.09 -0.55 8.40 7.64 1cy6A1 ALA 282 HA -1.50 0.18 0.44 -0.75 4.34 2.70 1cy6A1 ALA 282 HB3 -0.35 -0.02 0.07 -0.04 1.41 1.06 1cy6A1 PRO 283 HA -0.36 0.06 0.43 -0.51 4.44 4.05 1cy6A1 PRO 283 HB2 -0.05 0.03 -0.01 -0.04 2.28 2.22 1cy6A1 PRO 283 HB3 -0.05 0.07 0.06 -0.04 2.02 2.06 1cy6A1 PRO 283 HG2 -0.10 -0.06 0.08 -0.04 2.03 1.90 1cy6A1 PRO 283 HG3 -0.04 0.09 0.02 -0.04 2.03 2.06 1cy6A1 PRO 283 HD2 -0.59 -0.00 0.23 -0.04 3.68 3.27 1cy6A1 PRO 283 HD3 -0.63 0.22 0.17 -0.04 3.65 3.36 1cy6A1 PHE 284 H -0.32 0.15 0.13 -0.55 8.34 7.74 1cy6A1 PHE 284 HA -0.07 0.03 0.23 -0.75 4.62 4.06 1cy6A1 PHE 284 HB2 -0.03 0.10 0.06 -0.04 3.15 3.23 1cy6A1 PHE 284 HB3 -0.03 -0.09 0.03 -0.04 3.06 2.92 1cy6A1 PHE 284 HD2 -0.04 -0.05 -0.08 -0.04 7.28 7.07 1cy6A1 PHE 284 HE2 -0.02 0.07 -0.17 -0.04 7.38 7.21 1cy6A1 PHE 284 HZ -0.02 0.03 -0.05 -0.04 7.32 7.24 1cy6A1 ILE 285 H 0.17 0.12 0.20 -0.55 8.25 8.19 1cy6A1 ILE 285 HA 0.04 0.21 0.49 -0.75 4.18 4.17 1cy6A1 ILE 285 HB 0.02 -0.00 0.00 -0.04 1.89 1.87 1cy6A1 ILE 285 HG12 0.05 0.08 -0.06 -0.04 1.49 1.52 1cy6A1 ILE 285 HG13 0.03 -0.39 -0.16 -0.04 1.21 0.66 1cy6A1 ILE 285 HG23 0.02 0.10 -0.40 -0.04 0.93 0.61 1cy6A1 ILE 285 HD13 0.02 0.05 -0.07 -0.04 0.88 0.84 1cy6A1 THR 286 H 0.00 0.34 0.16 -0.55 8.28 8.23 1cy6A1 THR 286 HA -0.02 0.13 0.39 -0.75 4.39 4.13 1cy6A1 THR 286 HB 0.11 -0.04 0.25 -0.04 4.32 4.60 1cy6A1 THR 286 HG23 0.07 0.04 0.08 -0.04 1.22 1.38 1cy6A1 SER 287 H 0.03 0.14 -0.13 -0.55 8.46 7.96 1cy6A1 SER 287 HA -0.18 0.03 0.38 -0.75 4.49 3.96 1cy6A1 SER 287 HB2 -0.03 -0.03 0.06 -0.04 3.95 3.91 1cy6A1 SER 287 HB3 -0.13 0.06 -0.07 -0.04 3.93 3.75 1cy6A1 THR 288 H 0.00 0.09 -0.11 -0.55 8.28 7.71 1cy6A1 THR 288 HA -0.01 0.06 0.41 -0.75 4.39 4.10 1cy6A1 THR 288 HB 0.31 0.10 -0.03 -0.04 4.32 4.65 1cy6A1 THR 288 HG23 0.04 0.03 -0.02 -0.04 1.22 1.22 1cy6A1 LEU 289 H -0.11 0.63 -0.16 -0.55 8.37 8.17 1cy6A1 LEU 289 HA -1.02 0.08 0.39 -0.75 4.35 3.05 1cy6A1 LEU 289 HB2 -0.24 0.01 0.00 -0.04 1.64 1.37 1cy6A1 LEU 289 HB3 -0.15 0.07 0.09 -0.04 1.64 1.60 1cy6A1 LEU 289 HG -0.17 -0.05 -0.22 -0.04 1.64 1.16 1cy6A1 LEU 289 HD13 -0.42 0.01 -0.03 -0.04 0.93 0.45 1cy6A1 LEU 289 HD23 -0.05 0.00 -0.08 -0.04 0.89 0.73 1cy6A1 GLN 290 H -0.12 0.47 -0.08 -0.55 8.47 8.19 1cy6A1 GLN 290 HA -0.06 0.00 0.36 -0.75 4.36 3.91 1cy6A1 GLN 290 HB2 -0.09 0.19 0.23 -0.04 2.15 2.44 1cy6A1 GLN 290 HB3 -0.05 -0.07 0.03 -0.04 2.02 1.89 1cy6A1 GLN 290 HG2 -0.02 -0.06 0.05 -0.04 2.40 2.33 1cy6A1 GLN 290 HG3 -0.05 0.13 0.12 -0.04 2.39 2.55 1cy6A1 GLN 290 HE21 0.11 -0.15 -0.01 -0.04 6.97 6.88 1cy6A1 GLN 290 HE22 0.02 0.09 0.03 -0.04 7.69 7.80 1cy6A1 GLN 291 H -0.09 0.45 -0.12 -0.55 8.47 8.17 1cy6A1 GLN 291 HA -0.04 -0.07 0.41 -0.75 4.36 3.91 1cy6A1 GLN 291 HB2 -0.03 0.11 0.13 -0.04 2.15 2.32 1cy6A1 GLN 291 HB3 -0.02 0.01 -0.00 -0.04 2.02 1.97 1cy6A1 GLN 291 HG2 -0.04 -0.08 -0.05 -0.04 2.40 2.19 1cy6A1 GLN 291 HG3 -0.08 0.09 0.08 -0.04 2.39 2.44 1cy6A1 GLN 291 HE21 -0.06 -0.01 -0.21 -0.04 6.97 6.65 1cy6A1 GLN 291 HE22 -0.10 0.10 -0.38 -0.04 7.69 7.26 1cy6A1 ALA 292 H -0.13 0.62 -0.12 -0.55 8.40 8.22 1cy6A1 ALA 292 HA -0.02 0.04 0.52 -0.75 4.34 4.13 1cy6A1 ALA 292 HB3 -0.07 0.02 0.08 -0.04 1.41 1.41 1cy6A1 ALA 293 H -0.17 0.78 -0.02 -0.55 8.40 8.44 1cy6A1 ALA 293 HA -0.17 0.04 0.45 -0.75 4.34 3.91 1cy6A1 ALA 293 HB3 -0.04 -0.01 0.04 -0.04 1.41 1.37 1cy6A1 SER 294 H -0.05 0.45 -0.28 -0.55 8.46 8.03 1cy6A1 SER 294 HA 0.01 0.04 0.50 -0.75 4.49 4.29 1cy6A1 SER 294 HB2 0.01 0.02 0.07 -0.04 3.95 4.01 1cy6A1 SER 294 HB3 -0.01 0.07 0.16 -0.04 3.93 4.11 1cy6A1 THR 295 H -0.03 0.56 0.06 -0.55 8.28 8.33 1cy6A1 THR 295 HA -0.01 0.05 0.44 -0.75 4.39 4.12 1cy6A1 THR 295 HB -0.01 0.01 0.16 -0.04 4.32 4.44 1cy6A1 THR 295 HG23 0.01 0.00 -0.10 -0.04 1.22 1.09 1cy6A1 ARG 296 H -0.05 0.43 -0.08 -0.55 8.46 8.20 1cy6A1 ARG 296 HA -0.03 0.22 0.87 -0.75 4.34 4.64 1cy6A1 ARG 296 HB2 -0.05 -0.01 -0.04 -0.04 1.90 1.76 1cy6A1 ARG 296 HB3 -0.01 0.00 0.07 -0.04 1.80 1.82 1cy6A1 ARG 296 HG2 0.00 -0.13 -0.01 -0.04 1.67 1.50 1cy6A1 ARG 296 HG3 -0.02 0.44 0.20 -0.04 1.67 2.25 1cy6A1 ARG 296 HD2 0.08 -0.06 0.01 -0.04 3.22 3.21 1cy6A1 ARG 296 HD3 0.06 -0.00 -0.00 -0.04 3.22 3.23 1cy6A1 LEU 297 H -0.18 0.20 -0.09 -0.55 8.37 7.75 1cy6A1 LEU 297 HA -0.23 0.22 0.92 -0.75 4.35 4.50 1cy6A1 LEU 297 HB2 -0.73 0.26 0.22 -0.04 1.64 1.34 1cy6A1 LEU 297 HB3 -1.35 -0.10 0.10 -0.04 1.64 0.25 1cy6A1 LEU 297 HG -0.23 -0.01 -0.08 -0.04 1.64 1.28 1cy6A1 LEU 297 HD13 -0.34 -0.02 -0.07 -0.04 0.93 0.47 1cy6A1 LEU 297 HD23 -0.18 0.04 -0.07 -0.04 0.89 0.64 1cy6A1 GLY 298 H -0.09 0.24 -0.15 -0.55 8.43 7.89 1cy6A1 GLY 298 HA2 0.02 0.13 0.31 -0.51 4.01 3.97 1cy6A1 GLY 298 HA3 0.05 0.07 0.45 -0.51 4.01 4.07 1cy6A1 PHE 299 H 0.01 0.38 -0.18 -0.55 8.34 8.01 1cy6A1 PHE 299 HA -0.01 0.08 0.59 -0.75 4.62 4.52 1cy6A1 PHE 299 HB2 -0.02 -0.01 -0.15 -0.04 3.15 2.94 1cy6A1 PHE 299 HB3 -0.01 -0.08 -0.15 -0.04 3.06 2.78 1cy6A1 PHE 299 HD2 -0.00 -0.02 -0.30 -0.04 7.28 6.92 1cy6A1 PHE 299 HE2 0.01 0.07 -0.03 -0.04 7.38 7.39 1cy6A1 PHE 299 HZ 0.01 -0.07 0.04 -0.04 7.32 7.27 1cy6A1 GLY 300 H 0.07 0.12 0.15 -0.55 8.43 8.22 1cy6A1 GLY 300 HA2 0.04 0.14 0.49 -0.51 4.01 4.18 1cy6A1 GLY 300 HA3 0.02 0.02 0.33 -0.51 4.01 3.87 1cy6A1 VAL 301 H 0.03 0.16 0.11 -0.55 8.24 7.99 1cy6A1 VAL 301 HA 0.02 0.12 0.32 -0.75 4.13 3.84 1cy6A1 VAL 301 HB 0.04 -0.03 0.14 -0.04 2.12 2.22 1cy6A1 VAL 301 HG13 0.03 0.02 -0.18 -0.04 0.97 0.80 1cy6A1 VAL 301 HG23 0.01 0.02 0.04 -0.04 0.95 0.97 1cy6A1 LYS 302 H 0.02 0.12 -0.13 -0.55 8.42 7.88 1cy6A1 LYS 302 HA 0.02 0.05 0.37 -0.75 4.32 4.01 1cy6A1 LYS 302 HB2 0.02 0.05 0.07 -0.04 1.87 1.97 1cy6A1 LYS 302 HB3 0.00 -0.04 0.05 -0.04 1.79 1.76 1cy6A1 LYS 302 HG2 -0.00 0.02 -0.21 -0.04 1.46 1.23 1cy6A1 LYS 302 HG3 0.01 -0.01 -0.02 -0.04 1.46 1.40 1cy6A1 LYS 302 HD2 0.02 0.02 -0.02 -0.04 1.69 1.67 1cy6A1 LYS 302 HD3 0.01 -0.00 -0.01 -0.04 1.68 1.63 1cy6A1 LYS 302 HE2 0.01 0.06 -0.02 -0.04 2.99 2.99 1cy6A1 LYS 302 HE3 -0.00 -0.01 -0.05 -0.04 2.99 2.89 1cy6A1 LYS 303 H -0.01 0.08 -0.26 -0.55 8.42 7.68 1cy6A1 LYS 303 HA -0.06 0.05 0.36 -0.75 4.32 3.92 1cy6A1 LYS 303 HB2 -0.09 -0.01 0.09 -0.04 1.87 1.81 1cy6A1 LYS 303 HB3 -0.07 0.10 0.07 -0.04 1.79 1.85 1cy6A1 LYS 303 HG2 -0.38 0.02 -0.27 -0.04 1.46 0.79 1cy6A1 LYS 303 HG3 -0.23 -0.02 0.01 -0.04 1.46 1.19 1cy6A1 LYS 303 HD2 -0.25 0.01 0.02 -0.04 1.69 1.42 1cy6A1 LYS 303 HD3 -0.66 0.01 -0.02 -0.04 1.68 0.97 1cy6A1 LYS 303 HE2 -1.06 -0.02 -0.06 -0.04 2.99 1.81 1cy6A1 LYS 303 HE3 -0.35 -0.03 -0.02 -0.04 2.99 2.54 1cy6A1 THR 304 H 0.03 0.54 -0.25 -0.55 8.28 8.06 1cy6A1 THR 304 HA 0.09 0.04 0.35 -0.75 4.39 4.11 1cy6A1 THR 304 HB 0.03 0.09 0.05 -0.04 4.32 4.45 1cy6A1 THR 304 HG23 0.01 -0.01 -0.21 -0.04 1.22 0.96 1cy6A1 MET 305 H 0.01 0.54 -0.12 -0.55 8.47 8.36 1cy6A1 MET 305 HA 0.01 0.06 0.57 -0.75 4.52 4.40 1cy6A1 MET 305 HB2 0.01 0.07 0.09 -0.04 2.15 2.29 1cy6A1 MET 305 HB3 0.00 -0.05 0.04 -0.04 2.03 1.99 1cy6A1 MET 305 HG2 0.01 0.17 0.04 -0.04 2.63 2.81 1cy6A1 MET 305 HG3 0.01 -0.10 0.01 -0.04 2.56 2.44 1cy6A1 MET 305 HE3 -0.04 0.04 0.05 -0.04 2.10 2.11 1cy6A1 MET 306 H 0.01 0.53 -0.11 -0.55 8.47 8.35 1cy6A1 MET 306 HA 0.03 0.05 0.53 -0.75 4.52 4.37 1cy6A1 MET 306 HB2 -0.01 0.07 0.12 -0.04 2.15 2.29 1cy6A1 MET 306 HB3 0.01 -0.02 0.03 -0.04 2.03 2.01 1cy6A1 MET 306 HG2 0.02 -0.04 -0.00 -0.04 2.63 2.56 1cy6A1 MET 306 HG3 0.00 0.17 0.01 -0.04 2.56 2.70 1cy6A1 MET 306 HE3 -0.01 -0.02 -0.11 -0.04 2.10 1.91 1cy6A1 MET 307 H 0.01 0.47 -0.16 -0.55 8.47 8.25 1cy6A1 MET 307 HA 0.04 0.06 0.50 -0.75 4.52 4.36 1cy6A1 MET 307 HB2 0.03 0.13 0.11 -0.04 2.15 2.38 1cy6A1 MET 307 HB3 0.06 -0.02 -0.02 -0.04 2.03 2.00 1cy6A1 MET 307 HG2 -0.02 -0.05 -0.01 -0.04 2.63 2.51 1cy6A1 MET 307 HG3 -0.06 0.07 0.02 -0.04 2.56 2.55 1cy6A1 MET 307 HE3 -0.25 0.06 -0.18 -0.04 2.10 1.69 1cy6A1 ALA 308 H 0.05 0.53 -0.09 -0.55 8.40 8.34 1cy6A1 ALA 308 HA 0.11 0.06 0.39 -0.75 4.34 4.15 1cy6A1 ALA 308 HB3 0.04 0.02 0.09 -0.04 1.41 1.52 1cy6A1 GLN 309 H 0.06 0.42 -0.33 -0.55 8.47 8.08 1cy6A1 GLN 309 HA 0.18 -0.03 0.38 -0.75 4.36 4.13 1cy6A1 GLN 309 HB2 0.07 0.06 0.13 -0.04 2.15 2.37 1cy6A1 GLN 309 HB3 0.08 0.17 0.11 -0.04 2.02 2.34 1cy6A1 GLN 309 HG2 0.14 -0.01 -0.22 -0.04 2.40 2.27 1cy6A1 GLN 309 HG3 0.20 -0.09 0.03 -0.04 2.39 2.49 1cy6A1 GLN 309 HE21 0.07 0.01 -0.03 -0.04 6.97 6.99 1cy6A1 GLN 309 HE22 0.09 -0.03 -0.06 -0.04 7.69 7.65 1cy6A1 ARG 310 H 0.09 0.39 -0.24 -0.55 8.46 8.14 1cy6A1 ARG 310 HA 0.07 -0.01 0.41 -0.75 4.34 4.05 1cy6A1 ARG 310 HB2 0.07 0.11 0.13 -0.04 1.90 2.17 1cy6A1 ARG 310 HB3 0.06 0.01 0.01 -0.04 1.80 1.84 1cy6A1 ARG 310 HG2 0.04 -0.06 0.04 -0.04 1.67 1.65 1cy6A1 ARG 310 HG3 0.05 0.12 0.09 -0.04 1.67 1.89 1cy6A1 ARG 310 HD2 0.02 -0.03 -0.00 -0.04 3.22 3.17 1cy6A1 ARG 310 HD3 0.03 -0.01 -0.02 -0.04 3.22 3.17 1cy6A1 LEU 311 H 0.14 0.40 -0.36 -0.55 8.37 8.00 1cy6A1 LEU 311 HA 0.24 0.08 0.42 -0.75 4.35 4.33 1cy6A1 LEU 311 HB2 0.20 0.15 0.13 -0.04 1.64 2.08 1cy6A1 LEU 311 HB3 0.30 -0.07 -0.07 -0.04 1.64 1.76 1cy6A1 LEU 311 HG 0.15 0.13 0.03 -0.04 1.64 1.90 1cy6A1 LEU 311 HD13 0.20 -0.01 -0.09 -0.04 0.93 0.99 1cy6A1 LEU 311 HD23 0.17 -0.00 -0.08 -0.04 0.89 0.93 1cy6A1 TYR 312 H 0.26 0.53 -0.07 -0.55 8.29 8.46 1cy6A1 TYR 312 HA 0.11 0.16 0.44 -0.75 4.56 4.52 1cy6A1 TYR 312 HB2 0.12 0.11 -0.10 -0.04 3.06 3.16 1cy6A1 TYR 312 HB3 0.11 0.03 0.16 -0.04 2.98 3.23 1cy6A1 TYR 312 HD2 0.17 0.16 -0.08 -0.04 7.15 7.35 1cy6A1 TYR 312 HE2 0.21 -0.06 -0.18 -0.04 6.85 6.77 1cy6A1 GLU 313 H 0.07 0.62 -0.04 -0.55 8.60 8.70 1cy6A1 GLU 313 HA -0.44 0.00 0.37 -0.75 4.29 3.47 1cy6A1 GLU 313 HB2 0.02 0.17 0.08 -0.04 2.09 2.32 1cy6A1 GLU 313 HB3 -0.05 -0.06 -0.15 -0.04 1.99 1.69 1cy6A1 GLU 313 HG2 -0.02 -0.07 0.02 -0.04 2.34 2.22 1cy6A1 GLU 313 HG3 0.10 -0.01 0.02 -0.04 2.34 2.40 1cy6A1 ALA 314 H -0.08 0.25 -0.67 -0.55 8.40 7.36 1cy6A1 ALA 314 HA -0.18 0.10 0.62 -0.75 4.34 4.12 1cy6A1 ALA 314 HB3 -0.18 -0.00 0.10 -0.04 1.41 1.29 1cy6A1 GLY 315 H -0.21 0.44 -0.38 -0.55 8.43 7.74 1cy6A1 GLY 315 HA2 -0.12 -0.07 0.34 -0.51 4.01 3.66 1cy6A1 GLY 315 HA3 -0.18 0.15 0.57 -0.51 4.01 4.04 1cy6A1 TYR 316 H -0.04 0.49 0.02 -0.55 8.29 8.22 1cy6A1 TYR 316 HA 0.08 0.15 0.80 -0.75 4.56 4.83 1cy6A1 TYR 316 HB2 0.08 0.00 0.01 -0.04 3.06 3.11 1cy6A1 TYR 316 HB3 0.01 -0.06 -0.01 -0.04 2.98 2.88 1cy6A1 TYR 316 HD2 -0.03 -0.04 -0.06 -0.04 7.15 6.99 1cy6A1 TYR 316 HE2 -0.05 0.01 -0.06 -0.04 6.85 6.71 1cy6A1 ILE 317 H 0.24 0.22 -0.06 -0.55 8.25 8.11 1cy6A1 ILE 317 HA 0.18 0.19 0.80 -0.75 4.18 4.60 1cy6A1 ILE 317 HB 0.14 0.05 0.01 -0.04 1.89 2.05 1cy6A1 ILE 317 HG12 0.26 -0.17 -0.32 -0.04 1.49 1.22 1cy6A1 ILE 317 HG13 0.25 0.18 -0.41 -0.04 1.21 1.19 1cy6A1 ILE 317 HG23 0.30 -0.03 -0.32 -0.04 0.93 0.84 1cy6A1 ILE 317 HD13 0.15 -0.00 -0.10 -0.04 0.88 0.89 1cy6A1 THR 318 H 0.09 0.35 0.16 -0.55 8.28 8.34 1cy6A1 THR 318 HA 0.23 0.08 0.64 -0.75 4.39 4.59 1cy6A1 THR 318 HB 0.10 0.03 0.16 -0.04 4.32 4.56 1cy6A1 THR 318 HG23 0.05 -0.01 -0.03 -0.04 1.22 1.19 1cy6A1 TYR 319 H 0.18 0.59 0.26 -0.55 8.29 8.78 1cy6A1 TYR 319 HA -0.84 -0.07 0.33 -0.75 4.56 3.23 1cy6A1 TYR 319 HB2 -0.18 0.04 0.21 -0.04 3.06 3.09 1cy6A1 TYR 319 HB3 -0.11 0.06 0.10 -0.04 2.98 2.99 1cy6A1 TYR 319 HD2 -0.70 0.12 0.05 -0.04 7.15 6.59 1cy6A1 TYR 319 HE2 -0.13 0.02 0.04 -0.04 6.85 6.73 1cy6A1 MET 320 H -0.57 0.05 0.10 -0.55 8.47 7.50 1cy6A1 MET 320 HA -0.14 0.29 0.69 -0.75 4.52 4.60 1cy6A1 MET 320 HB2 -0.09 -0.03 0.11 -0.04 2.15 2.10 1cy6A1 MET 320 HB3 -0.05 0.13 -0.05 -0.04 2.03 2.02 1cy6A1 MET 320 HG2 -0.23 -0.03 -0.18 -0.04 2.63 2.15 1cy6A1 MET 320 HG3 -0.05 -0.02 -0.11 -0.04 2.56 2.33 1cy6A1 MET 320 HE3 -0.09 -0.00 -0.01 -0.04 2.10 1.95 1cy6A1 ARG 321 H -0.96 0.16 -0.34 -0.55 8.46 6.77 1cy6A1 ARG 321 HA -0.22 0.14 0.85 -0.75 4.34 4.36 1cy6A1 ARG 321 HB2 -0.74 -0.03 0.12 -0.04 1.90 1.21 1cy6A1 ARG 321 HB3 -0.20 -0.06 -0.03 -0.04 1.80 1.47 1cy6A1 ARG 321 HG2 -0.18 0.12 -0.14 -0.04 1.67 1.42 1cy6A1 ARG 321 HG3 -0.39 -0.02 -0.22 -0.04 1.67 1.01 1cy6A1 ARG 321 HD2 -0.10 -0.05 -0.01 -0.04 3.22 3.02 1cy6A1 ARG 321 HD3 -0.09 -0.09 -0.02 -0.04 3.22 2.97 1cy6A1 THR 322 H -0.09 0.19 0.15 -0.55 8.28 7.98 1cy6A1 THR 322 HA -0.13 0.16 0.64 -0.75 4.39 4.30 1cy6A1 THR 322 HB -0.01 0.14 -0.20 -0.04 4.32 4.21 1cy6A1 THR 322 HG23 -0.01 0.01 -0.16 -0.04 1.22 1.01 1cy6A1 ASP 323 H -0.07 0.22 0.12 -0.55 8.40 8.12 1cy6A1 ASP 323 HA 0.00 0.01 0.55 -0.75 4.63 4.44 1cy6A1 ASP 323 HB2 0.01 0.04 0.17 -0.04 2.71 2.88 1cy6A1 ASP 323 HB3 -0.02 -0.06 -0.16 -0.04 2.70 2.42 1cy6A1 SER 324 H 0.00 0.16 0.07 -0.55 8.46 8.14 1cy6A1 SER 324 HA 0.03 0.23 0.82 -0.75 4.49 4.81 1cy6A1 SER 324 HB2 0.06 0.08 -0.18 -0.04 3.95 3.86 1cy6A1 SER 324 HB3 0.07 -0.07 -0.11 -0.04 3.93 3.78 1cy6A1 THR 325 H 0.04 0.20 0.01 -0.55 8.28 7.98 1cy6A1 THR 325 HA 0.01 0.24 0.70 -0.75 4.39 4.58 1cy6A1 THR 325 HB -0.01 0.05 0.14 -0.04 4.32 4.46 1cy6A1 THR 325 HG23 -0.02 0.03 -0.16 -0.04 1.22 1.03 1cy6A1 ASN 326 H 0.06 -0.02 -0.45 -0.55 8.53 7.57 1cy6A1 ASN 326 HA 0.07 0.17 0.53 -0.75 4.76 4.77 1cy6A1 ASN 326 HB2 0.06 0.19 0.15 -0.04 2.88 3.25 1cy6A1 ASN 326 HB3 0.05 -0.05 -0.08 -0.04 2.79 2.68 1cy6A1 ASN 326 HD21 0.05 0.00 0.72 -0.04 7.03 7.76 1cy6A1 ASN 326 HD22 0.07 0.06 0.12 -0.04 7.74 7.94 1cy6A1 LEU 327 H 0.07 0.28 0.19 -0.55 8.37 8.36 1cy6A1 LEU 327 HA 0.08 0.05 0.82 -0.75 4.35 4.55 1cy6A1 LEU 327 HB2 0.11 0.05 0.14 -0.04 1.64 1.90 1cy6A1 LEU 327 HB3 0.16 -0.04 0.02 -0.04 1.64 1.74 1cy6A1 LEU 327 HG 0.12 0.11 -0.28 -0.04 1.64 1.55 1cy6A1 LEU 327 HD13 0.17 0.02 -0.02 -0.04 0.93 1.06 1cy6A1 LEU 327 HD23 0.18 0.01 -0.03 -0.04 0.89 1.01 1cy6A1 SER 328 H 0.06 0.11 0.09 -0.55 8.46 8.18 1cy6A1 SER 328 HA 0.04 0.16 0.47 -0.75 4.49 4.41 1cy6A1 SER 328 HB2 0.03 0.02 0.13 -0.04 3.95 4.09 1cy6A1 SER 328 HB3 0.04 0.11 0.10 -0.04 3.93 4.14 1cy6A1 GLN 329 H 0.03 0.19 0.18 -0.55 8.47 8.33 1cy6A1 GLN 329 HA 0.04 0.16 0.37 -0.75 4.36 4.18 1cy6A1 GLN 329 HB2 0.03 -0.02 0.09 -0.04 2.15 2.20 1cy6A1 GLN 329 HB3 0.03 0.07 0.07 -0.04 2.02 2.15 1cy6A1 GLN 329 HG2 0.02 -0.05 0.15 -0.04 2.40 2.47 1cy6A1 GLN 329 HG3 0.02 0.05 0.06 -0.04 2.39 2.48 1cy6A1 GLN 329 HE21 0.01 0.05 0.00 -0.04 6.97 6.99 1cy6A1 GLN 329 HE22 0.01 -0.00 0.02 -0.04 7.69 7.68 1cy6A1 ASP 330 H 0.04 0.06 -0.20 -0.55 8.40 7.75 1cy6A1 ASP 330 HA 0.05 0.12 0.39 -0.75 4.63 4.43 1cy6A1 ASP 330 HB2 0.04 -0.06 0.05 -0.04 2.71 2.71 1cy6A1 ASP 330 HB3 0.04 0.06 -0.03 -0.04 2.70 2.73 1cy6A1 ALA 331 H 0.08 0.09 -0.21 -0.55 8.40 7.81 1cy6A1 ALA 331 HA 0.15 0.06 0.44 -0.75 4.34 4.24 1cy6A1 ALA 331 HB3 0.17 0.04 0.05 -0.04 1.41 1.62 1cy6A1 VAL 332 H 0.10 0.48 -0.18 -0.55 8.24 8.08 1cy6A1 VAL 332 HA 0.03 0.08 0.40 -0.75 4.13 3.88 1cy6A1 VAL 332 HB 0.05 0.02 0.07 -0.04 2.12 2.23 1cy6A1 VAL 332 HG13 0.01 0.00 -0.09 -0.04 0.97 0.85 1cy6A1 VAL 332 HG23 0.06 0.01 -0.04 -0.04 0.95 0.94 1cy6A1 ASN 333 H 0.06 0.43 -0.28 -0.55 8.53 8.20 1cy6A1 ASN 333 HA 0.04 0.12 0.65 -0.75 4.76 4.82 1cy6A1 ASN 333 HB2 0.05 0.08 0.15 -0.04 2.88 3.11 1cy6A1 ASN 333 HB3 0.04 -0.04 0.02 -0.04 2.79 2.77 1cy6A1 ASN 333 HD21 0.02 -0.03 -0.01 -0.04 7.03 6.97 1cy6A1 ASN 333 HD22 0.03 -0.02 -0.06 -0.04 7.74 7.66 1cy6A1 MET 334 H 0.09 0.46 -0.08 -0.55 8.47 8.39 1cy6A1 MET 334 HA 0.09 0.08 0.58 -0.75 4.52 4.52 1cy6A1 MET 334 HB2 0.12 -0.06 0.11 -0.04 2.15 2.27 1cy6A1 MET 334 HB3 0.10 0.11 0.15 -0.04 2.03 2.35 1cy6A1 MET 334 HG2 0.18 0.18 0.17 -0.04 2.63 3.12 1cy6A1 MET 334 HG3 0.18 -0.03 -0.23 -0.04 2.56 2.44 1cy6A1 MET 334 HE3 0.12 0.01 -0.16 -0.04 2.10 2.03 1cy6A1 VAL 335 H 0.08 0.57 -0.09 -0.55 8.24 8.25 1cy6A1 VAL 335 HA 0.07 0.01 0.44 -0.75 4.13 3.89 1cy6A1 VAL 335 HB -0.23 -0.02 0.05 -0.04 2.12 1.87 1cy6A1 VAL 335 HG13 -0.22 0.05 0.04 -0.04 0.97 0.80 1cy6A1 VAL 335 HG23 -0.47 0.02 -0.07 -0.04 0.95 0.39 1cy6A1 ARG 336 H 0.02 0.46 -0.15 -0.55 8.46 8.24 1cy6A1 ARG 336 HA 0.03 0.10 0.44 -0.75 4.34 4.16 1cy6A1 ARG 336 HB2 0.03 0.04 0.17 -0.04 1.90 2.10 1cy6A1 ARG 336 HB3 0.03 -0.03 0.00 -0.04 1.80 1.76 1cy6A1 ARG 336 HG2 0.01 0.07 0.06 -0.04 1.67 1.77 1cy6A1 ARG 336 HG3 -0.02 -0.01 0.12 -0.04 1.67 1.73 1cy6A1 ARG 336 HD2 0.00 -0.07 0.02 -0.04 3.22 3.13 1cy6A1 ARG 336 HD3 0.01 0.01 -0.04 -0.04 3.22 3.17 1cy6A1 GLY 337 H 0.07 0.33 -0.50 -0.55 8.43 7.78 1cy6A1 GLY 337 HA2 0.06 0.00 0.37 -0.51 4.01 3.92 1cy6A1 GLY 337 HA3 0.08 0.07 0.29 -0.51 4.01 3.93 1cy6A1 TYR 338 H 0.21 0.48 -0.15 -0.55 8.29 8.28 1cy6A1 TYR 338 HA 0.06 -0.04 0.35 -0.75 4.56 4.17 1cy6A1 TYR 338 HB2 0.10 -0.02 0.09 -0.04 3.06 3.19 1cy6A1 TYR 338 HB3 0.05 0.15 0.15 -0.04 2.98 3.29 1cy6A1 TYR 338 HD2 0.15 0.00 -0.19 -0.04 7.15 7.07 1cy6A1 TYR 338 HE2 0.28 -0.00 -0.08 -0.04 6.85 7.01 1cy6A1 ILE 339 H 0.19 0.71 -0.16 -0.55 8.25 8.44 1cy6A1 ILE 339 HA 0.37 -0.01 0.28 -0.75 4.18 4.07 1cy6A1 ILE 339 HB 0.11 0.08 0.11 -0.04 1.89 2.15 1cy6A1 ILE 339 HG12 0.16 -0.07 -0.05 -0.04 1.49 1.49 1cy6A1 ILE 339 HG13 0.11 0.15 0.02 -0.04 1.21 1.45 1cy6A1 ILE 339 HG23 0.19 0.01 -0.25 -0.04 0.93 0.83 1cy6A1 ILE 339 HD13 -0.03 0.03 -0.17 -0.04 0.88 0.67 1cy6A1 SER 340 H 0.07 0.62 -0.17 -0.55 8.46 8.44 1cy6A1 SER 340 HA 0.10 -0.08 0.44 -0.75 4.49 4.20 1cy6A1 SER 340 HB2 0.04 -0.08 -0.02 -0.04 3.95 3.85 1cy6A1 SER 340 HB3 0.06 -0.00 -0.00 -0.04 3.93 3.95 1cy6A1 ASP 341 H -0.05 0.50 -0.16 -0.55 8.40 8.15 1cy6A1 ASP 341 HA -0.05 0.03 0.53 -0.75 4.63 4.39 1cy6A1 ASP 341 HB2 -0.16 0.09 0.14 -0.04 2.71 2.74 1cy6A1 ASP 341 HB3 -0.13 -0.06 -0.03 -0.04 2.70 2.45 1cy6A1 ASN 342 H -0.31 0.56 -0.03 -0.55 8.53 8.20 1cy6A1 ASN 342 HA -0.33 0.15 0.75 -0.75 4.76 4.58 1cy6A1 ASN 342 HB2 -0.86 0.10 0.01 -0.04 2.88 2.09 1cy6A1 ASN 342 HB3 -0.73 -0.05 0.07 -0.04 2.79 2.04 1cy6A1 ASN 342 HD21 -0.87 -0.09 -0.01 -0.04 7.03 6.01 1cy6A1 ASN 342 HD22 -1.65 0.26 0.09 -0.04 7.74 6.40 1cy6A1 PHE 343 H -0.07 0.26 -0.11 -0.55 8.34 7.87 1cy6A1 PHE 343 HA -0.14 0.16 0.96 -0.75 4.62 4.84 1cy6A1 PHE 343 HB2 -0.09 0.22 0.12 -0.04 3.15 3.36 1cy6A1 PHE 343 HB3 -0.57 -0.09 -0.03 -0.04 3.06 2.33 1cy6A1 PHE 343 HD2 -0.17 -0.01 -0.01 -0.04 7.28 7.05 1cy6A1 PHE 343 HE2 0.07 -0.02 -0.11 -0.04 7.38 7.28 1cy6A1 PHE 343 HZ 0.15 -0.03 -0.11 -0.04 7.32 7.30 1cy6A1 GLY 344 H 0.15 0.27 0.17 -0.55 8.43 8.47 1cy6A1 GLY 344 HA2 0.11 0.10 0.39 -0.51 4.01 4.10 1cy6A1 GLY 344 HA3 0.23 0.22 0.99 -0.51 4.01 4.93 1cy6A1 LYS 345 H 0.09 0.18 0.17 -0.55 8.42 8.30 1cy6A1 LYS 345 HA 0.07 0.09 0.39 -0.75 4.32 4.12 1cy6A1 LYS 345 HB2 0.04 0.02 0.16 -0.04 1.87 2.05 1cy6A1 LYS 345 HB3 0.04 -0.04 0.15 -0.04 1.79 1.90 1cy6A1 LYS 345 HG2 -0.01 0.04 -0.25 -0.04 1.46 1.20 1cy6A1 LYS 345 HG3 0.01 0.03 0.04 -0.04 1.46 1.50 1cy6A1 LYS 345 HD2 0.01 -0.00 0.02 -0.04 1.69 1.67 1cy6A1 LYS 345 HD3 -0.00 -0.02 0.00 -0.04 1.68 1.62 1cy6A1 LYS 345 HE2 -0.02 0.01 -0.04 -0.04 2.99 2.89 1cy6A1 LYS 345 HE3 -0.01 0.02 -0.01 -0.04 2.99 2.95 1cy6A1 LYS 346 H 0.08 0.08 -0.25 -0.55 8.42 7.77 1cy6A1 LYS 346 HA -0.10 0.14 0.47 -0.75 4.32 4.07 1cy6A1 LYS 346 HB2 -0.55 0.01 0.10 -0.04 1.87 1.38 1cy6A1 LYS 346 HB3 -0.19 -0.03 0.07 -0.04 1.79 1.59 1cy6A1 LYS 346 HG2 0.11 -0.04 -0.06 -0.04 1.46 1.42 1cy6A1 LYS 346 HG3 -0.35 0.03 -0.16 -0.04 1.46 0.94 1cy6A1 LYS 346 HD2 -0.11 -0.01 0.00 -0.04 1.69 1.53 1cy6A1 LYS 346 HD3 -0.05 -0.04 0.01 -0.04 1.68 1.57 1cy6A1 LYS 346 HE2 0.22 0.03 0.02 -0.04 2.99 3.21 1cy6A1 LYS 346 HE3 0.34 0.03 -0.00 -0.04 2.99 3.31 1cy6A1 TYR 347 H 0.30 0.64 -0.31 -0.55 8.29 8.37 1cy6A1 TYR 347 HA 0.24 0.10 0.81 -0.75 4.56 4.95 1cy6A1 TYR 347 HB2 0.14 0.13 -0.06 -0.04 3.06 3.23 1cy6A1 TYR 347 HB3 0.03 -0.04 0.06 -0.04 2.98 2.98 1cy6A1 TYR 347 HD2 0.02 0.03 -0.22 -0.04 7.15 6.93 1cy6A1 TYR 347 HE2 -0.14 0.00 -0.02 -0.04 6.85 6.65 1cy6A1 LEU 348 H 0.13 0.30 -0.25 -0.55 8.37 8.00 1cy6A1 LEU 348 HA 0.09 0.24 0.76 -0.75 4.35 4.69 1cy6A1 LEU 348 HB2 0.11 -0.08 -0.07 -0.04 1.64 1.55 1cy6A1 LEU 348 HB3 0.06 0.02 0.10 -0.04 1.64 1.78 1cy6A1 LEU 348 HG 0.04 0.15 -0.17 -0.04 1.64 1.62 1cy6A1 LEU 348 HD13 0.06 0.00 0.01 -0.04 0.93 0.96 1cy6A1 LEU 348 HD23 0.05 -0.05 -0.06 -0.04 0.89 0.79 1cy6A1 PRO 349 HA 0.02 -0.03 0.44 -0.51 4.44 4.36 1cy6A1 PRO 349 HB2 -0.00 0.15 -0.09 -0.04 2.28 2.30 1cy6A1 PRO 349 HB3 0.00 -0.06 0.00 -0.04 2.02 1.93 1cy6A1 PRO 349 HG2 0.02 0.12 -0.27 -0.04 2.03 1.85 1cy6A1 PRO 349 HG3 0.05 -0.06 -0.28 -0.04 2.03 1.70 1cy6A1 PRO 349 HD2 0.03 0.12 0.21 -0.04 3.68 4.00 1cy6A1 PRO 349 HD3 0.07 0.33 0.37 -0.04 3.65 4.38 1cy6A1 GLU 350 H -0.00 0.07 0.14 -0.55 8.60 8.26 1cy6A1 GLU 350 HA -0.00 0.04 0.31 -0.75 4.29 3.88 1cy6A1 GLU 350 HB2 -0.01 -0.01 0.14 -0.04 2.09 2.18 1cy6A1 GLU 350 HB3 -0.01 -0.06 0.12 -0.04 1.99 2.01 1cy6A1 GLU 350 HG2 -0.01 0.04 -0.28 -0.04 2.34 2.05 1cy6A1 GLU 350 HG3 -0.01 -0.02 0.03 -0.04 2.34 2.30 1cy6A1 SER 351 H -0.01 0.08 -0.20 -0.55 8.46 7.78 1cy6A1 SER 351 HA -0.01 0.18 0.83 -0.75 4.49 4.74 1cy6A1 SER 351 HB2 -0.02 -0.05 -0.01 -0.04 3.95 3.83 1cy6A1 SER 351 HB3 -0.02 0.04 0.02 -0.04 3.93 3.94 1cy6A1 PRO 352 HA -0.02 0.12 0.40 -0.51 4.44 4.42 1cy6A1 PRO 352 HB2 -0.01 -0.04 -0.06 -0.04 2.28 2.13 1cy6A1 PRO 352 HB3 -0.01 0.04 0.06 -0.04 2.02 2.07 1cy6A1 PRO 352 HG2 0.00 -0.03 0.04 -0.04 2.03 2.00 1cy6A1 PRO 352 HG3 0.00 0.10 0.04 -0.04 2.03 2.13 1cy6A1 PRO 352 HD2 -0.01 0.04 0.15 -0.04 3.68 3.82 1cy6A1 PRO 352 HD3 -0.00 0.18 0.22 -0.04 3.65 4.01 1cy6A1 ASN 353 H -0.04 0.19 0.19 -0.55 8.53 8.32 1cy6A1 ASN 353 HA -0.18 0.05 0.66 -0.75 4.76 4.54 1cy6A1 ASN 353 HB2 -0.03 0.13 0.27 -0.04 2.88 3.21 1cy6A1 ASN 353 HB3 -0.55 -0.06 -0.02 -0.04 2.79 2.12 1cy6A1 ASN 353 HD21 -0.02 0.05 -0.11 -0.04 7.03 6.91 1cy6A1 ASN 353 HD22 0.01 0.32 0.04 -0.04 7.74 8.07 1cy6A1 GLN 354 H -0.23 0.19 0.12 -0.55 8.47 8.01 1cy6A1 GLN 354 HA -0.05 0.14 0.82 -0.75 4.36 4.52 1cy6A1 GLN 354 HB2 -0.08 0.06 0.05 -0.04 2.15 2.14 1cy6A1 GLN 354 HB3 -0.08 -0.05 0.08 -0.04 2.02 1.93 1cy6A1 GLN 354 HG2 -0.01 0.03 -0.06 -0.04 2.40 2.32 1cy6A1 GLN 354 HG3 -0.02 -0.03 -0.04 -0.04 2.39 2.25 1cy6A1 GLN 354 HE21 0.04 -0.02 0.00 -0.04 6.97 6.95 1cy6A1 GLN 354 HE22 0.03 0.03 0.06 -0.04 7.69 7.77 1cy6A1 TYR 355 H 0.14 0.27 0.13 -0.55 8.29 8.28 1cy6A1 TYR 355 HA -0.03 0.10 0.79 -0.75 4.56 4.67 1cy6A1 TYR 355 HB2 -0.03 0.16 0.15 -0.04 3.06 3.30 1cy6A1 TYR 355 HB3 -0.04 -0.09 0.04 -0.04 2.98 2.85 1cy6A1 TYR 355 HD2 -0.06 -0.03 0.01 -0.04 7.15 7.04 1cy6A1 TYR 355 HE2 -0.11 0.13 -0.06 -0.04 6.85 6.77 1cy6A1 ALA 356 H 0.05 0.14 0.04 -0.55 8.40 8.09 1cy6A1 ALA 356 HA 0.05 0.11 0.49 -0.75 4.34 4.24 1cy6A1 ALA 356 HB3 0.02 0.04 -0.12 -0.04 1.41 1.31 1cy6A1 ALA 364 HA -0.06 -0.02 0.15 -0.75 4.34 3.66 1cy6A1 ALA 364 HB3 -0.17 -0.01 0.04 -0.04 1.41 1.24 1cy6A1 HIS 365 H 0.10 0.21 0.13 -0.55 8.41 8.31 1cy6A1 HIS 365 HA 0.02 0.14 0.86 -0.75 4.63 4.90 1cy6A1 HIS 365 HB2 0.02 -0.07 0.02 -0.04 3.26 3.20 1cy6A1 HIS 365 HB3 0.03 0.02 0.15 -0.04 3.20 3.35 1cy6A1 HIS 365 HD2 0.03 -0.02 0.00 -0.04 6.97 6.94 1cy6A1 HIS 365 HE1 -0.01 0.02 -0.04 -0.04 7.75 7.67 1cy6A1 GLU 366 H 0.14 0.12 0.19 -0.55 8.60 8.50 1cy6A1 GLU 366 HA 0.07 0.21 0.88 -0.75 4.29 4.70 1cy6A1 GLU 366 HB2 0.06 -0.09 0.07 -0.04 2.09 2.10 1cy6A1 GLU 366 HB3 0.04 0.14 0.09 -0.04 1.99 2.22 1cy6A1 GLU 366 HG2 0.05 0.08 -0.20 -0.04 2.34 2.23 1cy6A1 GLU 366 HG3 0.04 -0.02 -0.22 -0.04 2.34 2.10 1cy6A1 ALA 367 H 0.04 0.42 0.13 -0.55 8.40 8.44 1cy6A1 ALA 367 HA 0.03 0.11 0.59 -0.75 4.34 4.31 1cy6A1 ALA 367 HB3 0.01 0.02 0.01 -0.04 1.41 1.41 1cy6A1 ILE 368 H 0.04 0.47 0.03 -0.55 8.25 8.24 1cy6A1 ILE 368 HA 0.02 0.15 0.62 -0.75 4.18 4.22 1cy6A1 ILE 368 HB 0.12 -0.09 -0.05 -0.04 1.89 1.83 1cy6A1 ILE 368 HG12 -0.01 0.23 -0.15 -0.04 1.49 1.52 1cy6A1 ILE 368 HG13 0.03 -0.02 -0.22 -0.04 1.21 0.95 1cy6A1 ILE 368 HG23 0.05 0.02 -0.17 -0.04 0.93 0.79 1cy6A1 ILE 368 HD13 -0.01 -0.04 -0.26 -0.04 0.88 0.53 1cy6A1 ARG 369 H -0.04 0.21 0.16 -0.55 8.46 8.24 1cy6A1 ARG 369 HA -0.20 0.18 0.60 -0.75 4.34 4.16 1cy6A1 ARG 369 HB2 -1.32 0.06 0.05 -0.04 1.90 0.65 1cy6A1 ARG 369 HB3 -0.32 0.02 -0.32 -0.04 1.80 1.13 1cy6A1 ARG 369 HG2 -0.15 -0.02 -0.17 -0.04 1.67 1.29 1cy6A1 ARG 369 HG3 -0.30 0.17 -0.37 -0.04 1.67 1.13 1cy6A1 ARG 369 HD2 -0.60 0.05 -0.08 -0.04 3.22 2.55 1cy6A1 ARG 369 HD3 -0.18 0.00 -0.09 -0.04 3.22 2.91 1cy6A1 PRO 370 HA 0.10 0.17 0.53 -0.51 4.44 4.73 1cy6A1 PRO 370 HB2 0.05 -0.07 -0.23 -0.04 2.28 1.99 1cy6A1 PRO 370 HB3 0.24 0.11 0.01 -0.04 2.02 2.35 1cy6A1 PRO 370 HG2 0.01 0.08 0.05 -0.04 2.03 2.13 1cy6A1 PRO 370 HG3 -0.16 0.03 -0.06 -0.04 2.03 1.80 1cy6A1 PRO 370 HD2 -1.04 0.10 0.13 -0.04 3.68 2.83 1cy6A1 PRO 370 HD3 -0.29 0.21 0.11 -0.04 3.65 3.64 1cy6A1 SER 371 H 0.22 0.64 0.22 -0.55 8.46 9.00 1cy6A1 SER 371 HA 0.04 0.04 0.45 -0.75 4.49 4.27 1cy6A1 SER 371 HB2 0.17 0.10 0.08 -0.04 3.95 4.26 1cy6A1 SER 371 HB3 0.08 -0.06 -0.11 -0.04 3.93 3.79 1cy6A1 ASP 372 H 0.20 0.23 -0.03 -0.55 8.40 8.24 1cy6A1 ASP 372 HA 0.12 0.12 0.68 -0.75 4.63 4.80 1cy6A1 ASP 372 HB2 0.11 0.07 -0.10 -0.04 2.71 2.74 1cy6A1 ASP 372 HB3 0.15 0.02 0.11 -0.04 2.70 2.95 1cy6A1 VAL 373 H 0.18 0.20 -0.01 -0.55 8.24 8.06 1cy6A1 VAL 373 HA 0.37 0.10 0.30 -0.75 4.13 4.15 1cy6A1 VAL 373 HB -0.05 0.06 -0.00 -0.04 2.12 2.09 1cy6A1 VAL 373 HG13 0.28 0.01 -0.04 -0.04 0.97 1.18 1cy6A1 VAL 373 HG23 0.18 0.01 -0.14 -0.04 0.95 0.96 1cy6A1 ASN 374 H 0.19 -0.03 -0.52 -0.55 8.53 7.63 1cy6A1 ASN 374 HA 0.24 0.20 0.54 -0.75 4.76 4.98 1cy6A1 ASN 374 HB2 0.15 -0.04 -0.01 -0.04 2.88 2.93 1cy6A1 ASN 374 HB3 0.15 0.02 0.08 -0.04 2.79 3.00 1cy6A1 ASN 374 HD21 0.21 0.05 -0.04 -0.04 7.03 7.21 1cy6A1 ASN 374 HD22 0.16 -0.05 -0.03 -0.04 7.74 7.78 1cy6A1 VAL 375 H 0.19 0.45 -0.36 -0.55 8.24 7.96 1cy6A1 VAL 375 HA 0.02 0.09 0.76 -0.75 4.13 4.25 1cy6A1 VAL 375 HB 0.12 0.05 0.13 -0.04 2.12 2.39 1cy6A1 VAL 375 HG13 -0.15 0.02 -0.16 -0.04 0.97 0.63 1cy6A1 VAL 375 HG23 0.10 -0.02 -0.05 -0.04 0.95 0.93 1cy6A1 MET 376 H -0.09 0.13 0.09 -0.55 8.47 8.06 1cy6A1 MET 376 HA -0.38 0.23 0.60 -0.75 4.52 4.22 1cy6A1 MET 376 HB2 -0.14 -0.05 0.05 -0.04 2.15 1.96 1cy6A1 MET 376 HB3 -0.26 -0.08 0.10 -0.04 2.03 1.75 1cy6A1 MET 376 HG2 -0.09 0.08 -0.05 -0.04 2.63 2.52 1cy6A1 MET 376 HG3 -0.13 0.02 -0.01 -0.04 2.56 2.41 1cy6A1 MET 376 HE3 -0.00 0.05 -0.27 -0.04 2.10 1.83 1cy6A1 ALA 377 H -0.20 0.22 0.13 -0.55 8.40 8.00 1cy6A1 ALA 377 HA -0.12 0.09 0.37 -0.75 4.34 3.93 1cy6A1 ALA 377 HB3 0.05 0.03 0.07 -0.04 1.41 1.51 1cy6A1 GLU 378 H -0.13 0.06 -0.31 -0.55 8.60 7.68 1cy6A1 GLU 378 HA -0.08 0.16 0.54 -0.75 4.29 4.16 1cy6A1 GLU 378 HB2 -0.08 0.01 -0.03 -0.04 2.09 1.95 1cy6A1 GLU 378 HB3 -0.06 0.04 0.08 -0.04 1.99 2.01 1cy6A1 GLU 378 HG2 -0.04 0.04 -0.01 -0.04 2.34 2.29 1cy6A1 GLU 378 HG3 -0.05 -0.02 -0.10 -0.04 2.34 2.12 1cy6A1 SER 379 H -0.16 0.45 -0.41 -0.55 8.46 7.79 1cy6A1 SER 379 HA -0.08 0.17 0.69 -0.75 4.49 4.52 1cy6A1 SER 379 HB2 -0.12 0.07 0.05 -0.04 3.95 3.91 1cy6A1 SER 379 HB3 -0.07 -0.00 0.13 -0.04 3.93 3.95 1cy6A1 LEU 380 H -0.22 0.20 -0.44 -0.55 8.37 7.36 1cy6A1 LEU 380 HA -0.40 0.03 0.41 -0.75 4.35 3.63 1cy6A1 LEU 380 HB2 -0.25 0.12 0.11 -0.04 1.64 1.57 1cy6A1 LEU 380 HB3 -0.34 -0.06 -0.09 -0.04 1.64 1.10 1cy6A1 LEU 380 HG -0.64 0.06 -0.01 -0.04 1.64 1.01 1cy6A1 LEU 380 HD13 -0.59 -0.03 -0.03 -0.04 0.93 0.24 1cy6A1 LEU 380 HD23 -1.52 0.00 -0.10 -0.04 0.89 -0.76 1cy6A1 LYS 381 H -0.03 0.19 0.26 -0.55 8.42 8.28 1cy6A1 LYS 381 HA -0.02 0.06 0.60 -0.75 4.32 4.20 1cy6A1 LYS 381 HB2 0.01 -0.03 0.06 -0.04 1.87 1.87 1cy6A1 LYS 381 HB3 0.00 0.08 0.11 -0.04 1.79 1.94 1cy6A1 LYS 381 HG2 0.15 -0.04 0.19 -0.04 1.46 1.72 1cy6A1 LYS 381 HG3 0.06 -0.01 -0.03 -0.04 1.46 1.44 1cy6A1 LYS 381 HD2 0.04 0.05 0.08 -0.04 1.69 1.83 1cy6A1 LYS 381 HD3 0.07 0.01 0.04 -0.04 1.68 1.76 1cy6A1 LYS 381 HE2 0.01 0.00 0.02 -0.04 2.99 2.98 1cy6A1 LYS 381 HE3 0.01 -0.02 0.00 -0.04 2.99 2.94 1cy6A1 ASP 382 H 0.00 0.16 0.15 -0.55 8.40 8.16 1cy6A1 ASP 382 HA 0.01 -0.01 0.28 -0.75 4.63 4.16 1cy6A1 ASP 382 HB2 0.02 -0.05 0.14 -0.04 2.71 2.77 1cy6A1 ASP 382 HB3 0.02 -0.03 -0.19 -0.04 2.70 2.45 1cy6A1 MET 383 H -0.01 0.31 -0.36 -0.55 8.47 7.86 1cy6A1 MET 383 HA 0.03 0.12 0.81 -0.75 4.52 4.72 1cy6A1 MET 383 HB2 -0.07 0.08 -0.14 -0.04 2.15 1.98 1cy6A1 MET 383 HB3 0.00 -0.09 -0.13 -0.04 2.03 1.78 1cy6A1 MET 383 HG2 0.13 0.10 -0.39 -0.04 2.63 2.43 1cy6A1 MET 383 HG3 -0.03 0.00 -0.18 -0.04 2.56 2.31 1cy6A1 MET 383 HE3 0.11 0.05 -0.14 -0.04 2.10 2.08 1cy6A1 GLU 384 H 0.01 0.09 0.10 -0.55 8.60 8.26 1cy6A1 GLU 384 HA -0.00 0.32 0.87 -0.75 4.29 4.73 1cy6A1 GLU 384 HB2 0.00 -0.01 0.13 -0.04 2.09 2.16 1cy6A1 GLU 384 HB3 0.00 0.10 0.01 -0.04 1.99 2.06 1cy6A1 GLU 384 HG2 -0.00 -0.22 -0.23 -0.04 2.34 1.85 1cy6A1 GLU 384 HG3 -0.01 0.08 -0.01 -0.04 2.34 2.37 1cy6A1 ALA 385 H 0.01 0.21 0.14 -0.55 8.40 8.22 1cy6A1 ALA 385 HA 0.02 0.12 0.35 -0.75 4.34 4.09 1cy6A1 ALA 385 HB3 0.03 0.03 0.10 -0.04 1.41 1.53 1cy6A1 ASP 386 H 0.03 0.11 -0.05 -0.55 8.40 7.94 1cy6A1 ASP 386 HA 0.24 0.13 0.55 -0.75 4.63 4.81 1cy6A1 ASP 386 HB2 -0.11 -0.02 0.05 -0.04 2.71 2.59 1cy6A1 ASP 386 HB3 -0.20 0.03 0.03 -0.04 2.70 2.53 1cy6A1 ALA 387 H 0.04 0.27 -0.08 -0.55 8.40 8.08 1cy6A1 ALA 387 HA 0.10 0.02 0.42 -0.75 4.34 4.13 1cy6A1 ALA 387 HB3 0.04 0.02 0.06 -0.04 1.41 1.50 1cy6A1 GLN 388 H 0.06 0.41 -0.39 -0.55 8.47 8.00 1cy6A1 GLN 388 HA 0.04 0.07 0.46 -0.75 4.36 4.17 1cy6A1 GLN 388 HB2 0.03 0.17 0.01 -0.04 2.15 2.32 1cy6A1 GLN 388 HB3 0.01 -0.03 -0.10 -0.04 2.02 1.86 1cy6A1 GLN 388 HG2 -0.08 0.11 -0.00 -0.04 2.40 2.39 1cy6A1 GLN 388 HG3 -0.02 -0.06 -0.33 -0.04 2.39 1.94 1cy6A1 GLN 388 HE21 -0.03 -0.05 -0.01 -0.04 6.97 6.84 1cy6A1 GLN 388 HE22 -0.03 0.28 -0.07 -0.04 7.69 7.84 1cy6A1 LYS 389 H 0.12 0.38 -0.10 -0.55 8.42 8.27 1cy6A1 LYS 389 HA 0.08 0.04 0.43 -0.75 4.32 4.12 1cy6A1 LYS 389 HB2 0.18 0.08 0.13 -0.04 1.87 2.22 1cy6A1 LYS 389 HB3 0.03 0.01 0.08 -0.04 1.79 1.87 1cy6A1 LYS 389 HG2 0.06 -0.01 0.03 -0.04 1.46 1.50 1cy6A1 LYS 389 HG3 0.09 0.27 0.15 -0.04 1.46 1.93 1cy6A1 LYS 389 HD2 0.12 -0.08 -0.14 -0.04 1.69 1.55 1cy6A1 LYS 389 HD3 0.24 -0.03 0.02 -0.04 1.68 1.87 1cy6A1 LYS 389 HE2 0.07 0.02 0.00 -0.04 2.99 3.05 1cy6A1 LYS 389 HE3 0.02 0.02 0.01 -0.04 2.99 3.01 1cy6A1 LEU 390 H 0.19 0.35 -0.39 -0.55 8.37 7.97 1cy6A1 LEU 390 HA 0.09 0.07 0.49 -0.75 4.35 4.24 1cy6A1 LEU 390 HB2 0.28 0.03 0.06 -0.04 1.64 1.97 1cy6A1 LEU 390 HB3 0.17 0.12 0.04 -0.04 1.64 1.93 1cy6A1 LEU 390 HG 0.09 -0.02 -0.13 -0.04 1.64 1.55 1cy6A1 LEU 390 HD13 0.07 -0.01 0.00 -0.04 0.93 0.96 1cy6A1 LEU 390 HD23 0.11 -0.01 -0.07 -0.04 0.89 0.88 1cy6A1 TYR 391 H 0.23 0.38 -0.21 -0.55 8.29 8.14 1cy6A1 TYR 391 HA 0.11 0.02 0.37 -0.75 4.56 4.30 1cy6A1 TYR 391 HB2 0.03 0.03 0.09 -0.04 3.06 3.17 1cy6A1 TYR 391 HB3 0.00 0.13 0.18 -0.04 2.98 3.24 1cy6A1 TYR 391 HD2 0.01 -0.06 -0.14 -0.04 7.15 6.91 1cy6A1 TYR 391 HE2 -0.04 0.10 -0.07 -0.04 6.85 6.80 1cy6A1 GLN 392 H 0.18 0.54 -0.17 -0.55 8.47 8.47 1cy6A1 GLN 392 HA 0.12 -0.01 0.41 -0.75 4.36 4.13 1cy6A1 GLN 392 HB2 0.09 0.01 0.12 -0.04 2.15 2.33 1cy6A1 GLN 392 HB3 0.09 0.14 0.14 -0.04 2.02 2.36 1cy6A1 GLN 392 HG2 0.12 0.04 -0.18 -0.04 2.40 2.34 1cy6A1 GLN 392 HG3 0.06 -0.05 0.05 -0.04 2.39 2.41 1cy6A1 GLN 392 HE21 0.02 0.01 -0.02 -0.04 6.97 6.94 1cy6A1 GLN 392 HE22 0.00 -0.03 -0.00 -0.04 7.69 7.62 1cy6A1 LEU 393 H 0.10 0.45 -0.23 -0.55 8.37 8.14 1cy6A1 LEU 393 HA 0.15 0.05 0.39 -0.75 4.35 4.18 1cy6A1 LEU 393 HB2 0.05 0.08 0.13 -0.04 1.64 1.86 1cy6A1 LEU 393 HB3 0.07 0.10 0.14 -0.04 1.64 1.92 1cy6A1 LEU 393 HG 0.30 -0.03 -0.18 -0.04 1.64 1.69 1cy6A1 LEU 393 HD13 0.11 0.00 -0.01 -0.04 0.93 0.99 1cy6A1 LEU 393 HD23 -0.12 -0.03 -0.11 -0.04 0.89 0.59 1cy6A1 ILE 394 H 0.11 0.44 -0.33 -0.55 8.25 7.93 1cy6A1 ILE 394 HA 0.35 -0.02 0.41 -0.75 4.18 4.16 1cy6A1 ILE 394 HB -0.03 0.12 0.09 -0.04 1.89 2.04 1cy6A1 ILE 394 HG12 0.17 -0.10 -0.06 -0.04 1.49 1.46 1cy6A1 ILE 394 HG13 0.10 0.32 0.06 -0.04 1.21 1.64 1cy6A1 ILE 394 HG23 0.05 -0.01 -0.26 -0.04 0.93 0.67 1cy6A1 ILE 394 HD13 0.09 -0.04 -0.15 -0.04 0.88 0.74 1cy6A1 TRP 395 H 0.08 0.63 -0.06 -0.55 7.97 8.07 1cy6A1 TRP 395 HA -0.11 -0.02 0.46 -0.75 4.62 4.21 1cy6A1 TRP 395 HB2 -0.51 0.03 0.11 -0.04 3.23 2.82 1cy6A1 TRP 395 HB3 -0.10 0.06 0.23 -0.04 3.23 3.37 1cy6A1 TRP 395 HD1 -0.09 -0.04 0.03 -0.04 7.22 7.08 1cy6A1 TRP 395 HE1 -0.14 0.39 0.13 -0.04 10.20 10.54 1cy6A1 TRP 395 HE3 0.02 0.04 -0.07 -0.04 7.59 7.54 1cy6A1 TRP 395 HZ2 -0.63 0.04 -0.03 -0.04 7.44 6.78 1cy6A1 TRP 395 HZ3 0.11 0.08 -0.01 -0.04 7.13 7.26 1cy6A1 TRP 395 HH2 0.22 0.03 -0.05 -0.04 7.19 7.35 1cy6A1 ARG 396 H 0.34 0.69 0.03 -0.55 8.46 8.97 1cy6A1 ARG 396 HA -0.02 0.02 0.38 -0.75 4.34 3.96 1cy6A1 ARG 396 HB2 0.20 0.10 0.16 -0.04 1.90 2.32 1cy6A1 ARG 396 HB3 0.13 -0.02 -0.07 -0.04 1.80 1.80 1cy6A1 ARG 396 HG2 0.20 0.24 0.07 -0.04 1.67 2.15 1cy6A1 ARG 396 HG3 0.47 -0.08 0.09 -0.04 1.67 2.11 1cy6A1 ARG 396 HD2 0.27 -0.05 0.03 -0.04 3.22 3.43 1cy6A1 ARG 396 HD3 0.27 0.09 -0.02 -0.04 3.22 3.51 1cy6A1 GLN 397 H 0.01 0.41 -0.24 -0.55 8.47 8.10 1cy6A1 GLN 397 HA -0.19 0.03 0.38 -0.75 4.36 3.83 1cy6A1 GLN 397 HB2 -0.37 0.07 0.14 -0.04 2.15 1.95 1cy6A1 GLN 397 HB3 -0.39 0.03 0.15 -0.04 2.02 1.77 1cy6A1 GLN 397 HG2 -1.79 -0.18 0.02 -0.04 2.40 0.41 1cy6A1 GLN 397 HG3 -0.59 0.07 -0.17 -0.04 2.39 1.66 1cy6A1 GLN 397 HE21 -0.34 -0.18 -0.04 -0.04 6.97 6.36 1cy6A1 GLN 397 HE22 -0.46 0.35 -0.32 -0.04 7.69 7.22 1cy6A1 PHE 398 H -0.03 0.44 -0.13 -0.55 8.34 8.07 1cy6A1 PHE 398 HA -0.24 -0.02 0.38 -0.75 4.62 3.99 1cy6A1 PHE 398 HB2 -0.17 -0.00 0.22 -0.04 3.15 3.16 1cy6A1 PHE 398 HB3 -0.34 0.18 0.26 -0.04 3.06 3.12 1cy6A1 PHE 398 HD2 -0.25 0.02 -0.00 -0.04 7.28 7.00 1cy6A1 PHE 398 HE2 -0.07 -0.07 -0.08 -0.04 7.38 7.11 1cy6A1 PHE 398 HZ -0.03 -0.04 -0.11 -0.04 7.32 7.10 1cy6A1 VAL 399 H -0.43 0.56 -0.05 -0.55 8.24 7.77 1cy6A1 VAL 399 HA -0.59 -0.01 0.41 -0.75 4.13 3.18 1cy6A1 VAL 399 HB -0.56 0.07 0.10 -0.04 2.12 1.68 1cy6A1 VAL 399 HG13 -0.16 -0.01 -0.14 -0.04 0.97 0.62 1cy6A1 VAL 399 HG23 -1.39 0.01 0.00 -0.04 0.95 -0.47 1cy6A1 ALA 400 H -0.20 0.69 -0.08 -0.55 8.40 8.27 1cy6A1 ALA 400 HA -0.00 -0.01 0.42 -0.75 4.34 3.99 1cy6A1 ALA 400 HB3 0.07 -0.01 0.11 -0.04 1.41 1.55 1cy6A1 CYS 401 H -0.23 0.51 -0.25 -0.55 8.50 7.98 1cy6A1 CYS 401 HA -0.16 0.04 0.26 -0.75 4.58 3.96 1cy6A1 CYS 401 HB2 -0.41 -0.05 0.11 -0.04 2.97 2.57 1cy6A1 CYS 401 HB3 -0.32 0.11 0.04 -0.04 2.97 2.77 1cy6A1 GLN 402 H -0.16 0.43 -0.54 -0.55 8.47 7.66 1cy6A1 GLN 402 HA -0.02 0.09 0.98 -0.75 4.36 4.66 1cy6A1 GLN 402 HB2 -0.22 0.09 0.04 -0.04 2.15 2.02 1cy6A1 GLN 402 HB3 -0.08 -0.08 0.17 -0.04 2.02 1.99 1cy6A1 GLN 402 HG2 -0.24 0.06 -0.14 -0.04 2.40 2.05 1cy6A1 GLN 402 HG3 -0.18 -0.12 0.02 -0.04 2.39 2.08 1cy6A1 GLN 402 HE21 0.09 0.30 0.18 -0.04 6.97 7.50 1cy6A1 GLN 402 HE22 0.08 -0.04 -0.07 -0.04 7.69 7.62 1cy6A1 MET 403 H -0.02 0.47 0.07 -0.55 8.47 8.45 1cy6A1 MET 403 HA 0.07 0.29 0.88 -0.75 4.52 5.00 1cy6A1 MET 403 HB2 0.09 0.11 0.24 -0.04 2.15 2.55 1cy6A1 MET 403 HB3 0.14 -0.09 0.10 -0.04 2.03 2.14 1cy6A1 MET 403 HG2 0.02 -0.01 0.01 -0.04 2.63 2.60 1cy6A1 MET 403 HG3 -0.03 0.02 -0.10 -0.04 2.56 2.41 1cy6A1 MET 403 HE3 -0.83 -0.01 -0.06 -0.04 2.10 1.16 1cy6A1 THR 404 H 0.17 0.25 0.17 -0.55 8.28 8.32 1cy6A1 THR 404 HA 0.10 0.11 0.49 -0.75 4.39 4.34 1cy6A1 THR 404 HB 0.16 0.02 0.10 -0.04 4.32 4.56 1cy6A1 THR 404 HG23 0.06 0.01 -0.29 -0.04 1.22 0.96 1cy6A1 PRO 405 HA 0.39 0.14 0.55 -0.51 4.44 5.01 1cy6A1 PRO 405 HB2 0.14 -0.01 -0.08 -0.04 2.28 2.29 1cy6A1 PRO 405 HB3 0.16 -0.04 -0.06 -0.04 2.02 2.04 1cy6A1 PRO 405 HG2 0.06 0.00 0.03 -0.04 2.03 2.08 1cy6A1 PRO 405 HG3 0.07 0.08 0.04 -0.04 2.03 2.17 1cy6A1 PRO 405 HD2 0.10 0.07 0.17 -0.04 3.68 3.99 1cy6A1 PRO 405 HD3 0.08 0.19 0.20 -0.04 3.65 4.08 1cy6A1 ALA 406 H 0.34 0.37 0.27 -0.55 8.40 8.83 1cy6A1 ALA 406 HA -0.09 0.20 0.63 -0.75 4.34 4.33 1cy6A1 ALA 406 HB3 -0.16 0.01 0.08 -0.04 1.41 1.30 1cy6A1 LYS 407 H -0.03 0.39 0.32 -0.55 8.42 8.54 1cy6A1 LYS 407 HA 0.11 0.31 1.05 -0.75 4.32 5.04 1cy6A1 LYS 407 HB2 0.06 -0.14 0.16 -0.04 1.87 1.92 1cy6A1 LYS 407 HB3 0.05 0.06 0.06 -0.04 1.79 1.91 1cy6A1 LYS 407 HG2 0.07 0.04 -0.09 -0.04 1.46 1.44 1cy6A1 LYS 407 HG3 0.15 0.02 -0.23 -0.04 1.46 1.36 1cy6A1 LYS 407 HD2 0.01 0.06 -0.03 -0.04 1.69 1.69 1cy6A1 LYS 407 HD3 0.00 -0.05 -0.02 -0.04 1.68 1.57 1cy6A1 LYS 407 HE2 -0.00 0.01 -0.05 -0.04 2.99 2.91 1cy6A1 LYS 407 HE3 -0.07 -0.01 -0.03 -0.04 2.99 2.84 1cy6A1 TYR 408 H 0.23 0.71 0.37 -0.55 8.29 9.05 1cy6A1 TYR 408 HA 0.02 0.17 1.05 -0.75 4.56 5.05 1cy6A1 TYR 408 HB2 0.02 -0.05 -0.10 -0.04 3.06 2.90 1cy6A1 TYR 408 HB3 0.01 -0.02 -0.09 -0.04 2.98 2.84 1cy6A1 TYR 408 HD2 0.02 0.01 -0.36 -0.04 7.15 6.77 1cy6A1 TYR 408 HE2 -0.00 0.02 -0.16 -0.04 6.85 6.67 1cy6A1 ASP 409 H 0.14 0.63 0.32 -0.55 8.40 8.94 1cy6A1 ASP 409 HA 0.07 0.13 0.91 -0.75 4.63 4.99 1cy6A1 ASP 409 HB2 0.05 0.02 0.20 -0.04 2.71 2.93 1cy6A1 ASP 409 HB3 0.04 0.02 -0.01 -0.04 2.70 2.70 1cy6A1 SER 410 H 0.05 0.59 0.27 -0.55 8.46 8.83 1cy6A1 SER 410 HA 0.03 0.21 1.02 -0.75 4.49 5.00 1cy6A1 SER 410 HB2 0.03 0.20 0.16 -0.04 3.95 4.30 1cy6A1 SER 410 HB3 0.01 -0.00 0.05 -0.04 3.93 3.95 1cy6A1 THR 411 H 0.02 0.53 0.36 -0.55 8.28 8.63 1cy6A1 THR 411 HA 0.02 0.30 1.04 -0.75 4.39 5.00 1cy6A1 THR 411 HB 0.02 -0.10 -0.01 -0.04 4.32 4.19 1cy6A1 THR 411 HG23 0.02 0.01 -0.11 -0.04 1.22 1.09 1cy6A1 THR 412 H 0.02 0.47 0.30 -0.55 8.28 8.52 1cy6A1 THR 412 HA 0.02 0.31 1.11 -0.75 4.39 5.08 1cy6A1 THR 412 HB 0.01 -0.06 0.14 -0.04 4.32 4.37 1cy6A1 THR 412 HG23 0.02 -0.01 -0.18 -0.04 1.22 1.01 1cy6A1 LEU 413 H 0.02 0.65 0.34 -0.55 8.37 8.83 1cy6A1 LEU 413 HA 0.02 0.26 1.05 -0.75 4.35 4.92 1cy6A1 LEU 413 HB2 0.02 -0.02 0.11 -0.04 1.64 1.72 1cy6A1 LEU 413 HB3 0.02 -0.02 -0.08 -0.04 1.64 1.52 1cy6A1 LEU 413 HG 0.02 -0.04 -0.18 -0.04 1.64 1.40 1cy6A1 LEU 413 HD13 0.02 0.01 -0.15 -0.04 0.93 0.77 1cy6A1 LEU 413 HD23 0.02 0.01 -0.06 -0.04 0.89 0.82 1cy6A1 THR 414 H 0.01 0.51 0.31 -0.55 8.28 8.57 1cy6A1 THR 414 HA 0.02 0.34 1.06 -0.75 4.39 5.06 1cy6A1 THR 414 HB -0.00 -0.10 0.08 -0.04 4.32 4.26 1cy6A1 THR 414 HG23 -0.02 0.01 -0.04 -0.04 1.22 1.13 1cy6A1 VAL 415 H 0.03 0.78 0.32 -0.55 8.24 8.82 1cy6A1 VAL 415 HA 0.03 0.08 1.17 -0.75 4.13 4.66 1cy6A1 VAL 415 HB 0.08 -0.06 -0.08 -0.04 2.12 2.02 1cy6A1 VAL 415 HG13 0.13 0.02 -0.30 -0.04 0.97 0.77 1cy6A1 VAL 415 HG23 0.06 -0.01 -0.35 -0.04 0.95 0.61 1cy6A1 GLY 416 H 0.01 0.66 0.37 -0.55 8.43 8.92 1cy6A1 GLY 416 HA2 -0.03 0.25 1.03 -0.51 4.01 4.75 1cy6A1 GLY 416 HA3 -0.03 0.03 0.36 -0.51 4.01 3.86 1cy6A1 ALA 417 H -0.06 0.61 0.03 -0.55 8.40 8.43 1cy6A1 ALA 417 HA -0.26 0.38 0.76 -0.75 4.34 4.47 1cy6A1 ALA 417 HB3 -0.68 -0.01 -0.18 -0.04 1.41 0.49 1cy6A1 GLY 418 H -0.07 0.23 0.13 -0.55 8.43 8.17 1cy6A1 GLY 418 HA2 -0.02 0.05 0.37 -0.51 4.01 3.91 1cy6A1 GLY 418 HA3 0.02 0.02 0.50 -0.51 4.01 4.04 1cy6A1 ASP 419 H 0.01 0.12 0.23 -0.55 8.40 8.21 1cy6A1 ASP 419 HA -0.10 0.19 0.73 -0.75 4.63 4.69 1cy6A1 ASP 419 HB2 -0.25 0.03 0.15 -0.04 2.71 2.60 1cy6A1 ASP 419 HB3 -0.27 -0.16 0.25 -0.04 2.70 2.48 1cy6A1 PHE 420 H 0.12 0.68 -0.24 -0.55 8.34 8.36 1cy6A1 PHE 420 HA -0.07 0.25 1.12 -0.75 4.62 5.17 1cy6A1 PHE 420 HB2 -0.17 0.08 0.07 -0.04 3.15 3.09 1cy6A1 PHE 420 HB3 -0.16 -0.03 0.14 -0.04 3.06 2.96 1cy6A1 PHE 420 HD2 -0.27 0.09 0.02 -0.04 7.28 7.07 1cy6A1 PHE 420 HE2 -0.28 -0.03 -0.05 -0.04 7.38 6.98 1cy6A1 PHE 420 HZ -0.04 -0.02 0.01 -0.04 7.32 7.22 1cy6A1 ARG 421 H 0.14 0.45 0.36 -0.55 8.46 8.85 1cy6A1 ARG 421 HA 0.01 0.33 0.93 -0.75 4.34 4.85 1cy6A1 ARG 421 HB2 -0.04 0.03 -0.15 -0.04 1.90 1.70 1cy6A1 ARG 421 HB3 0.05 -0.14 0.11 -0.04 1.80 1.77 1cy6A1 ARG 421 HG2 -0.11 -0.05 -0.11 -0.04 1.67 1.36 1cy6A1 ARG 421 HG3 -0.02 0.12 0.04 -0.04 1.67 1.76 1cy6A1 ARG 421 HD2 -0.11 -0.01 -0.08 -0.04 3.22 2.98 1cy6A1 ARG 421 HD3 -0.07 0.03 -0.07 -0.04 3.22 3.07 1cy6A1 LEU 422 H 0.04 0.77 0.39 -0.55 8.37 9.02 1cy6A1 LEU 422 HA 0.08 0.18 1.18 -0.75 4.35 5.04 1cy6A1 LEU 422 HB2 0.08 -0.06 -0.08 -0.04 1.64 1.54 1cy6A1 LEU 422 HB3 0.07 0.02 -0.07 -0.04 1.64 1.62 1cy6A1 LEU 422 HG 0.02 -0.00 -0.30 -0.04 1.64 1.32 1cy6A1 LEU 422 HD13 -0.00 -0.05 -0.39 -0.04 0.93 0.45 1cy6A1 LEU 422 HD23 0.13 0.00 -0.29 -0.04 0.89 0.70 1cy6A1 LYS 423 H 0.07 0.62 0.40 -0.55 8.42 8.96 1cy6A1 LYS 423 HA 0.04 0.36 1.18 -0.75 4.32 5.15 1cy6A1 LYS 423 HB2 0.07 0.01 0.06 -0.04 1.87 1.97 1cy6A1 LYS 423 HB3 0.05 0.01 -0.00 -0.04 1.79 1.80 1cy6A1 LYS 423 HG2 0.04 0.09 0.03 -0.04 1.46 1.57 1cy6A1 LYS 423 HG3 0.08 -0.07 -0.21 -0.04 1.46 1.22 1cy6A1 LYS 423 HD2 0.06 0.00 -0.07 -0.04 1.69 1.64 1cy6A1 LYS 423 HD3 0.04 0.01 -0.06 -0.04 1.68 1.62 1cy6A1 LYS 423 HE2 0.04 -0.00 -0.07 -0.04 2.99 2.91 1cy6A1 LYS 423 HE3 0.04 -0.02 -0.09 -0.04 2.99 2.87 1cy6A1 ALA 424 H 0.03 0.49 0.35 -0.55 8.40 8.73 1cy6A1 ALA 424 HA 0.03 0.12 0.76 -0.75 4.34 4.50 1cy6A1 ALA 424 HB3 0.03 0.01 0.02 -0.04 1.41 1.43 1cy6A1 ARG 425 H 0.02 0.23 0.21 -0.55 8.46 8.37 1cy6A1 ARG 425 HA 0.02 0.32 1.19 -0.75 4.34 5.12 1cy6A1 ARG 425 HB2 0.02 -0.03 0.08 -0.04 1.90 1.93 1cy6A1 ARG 425 HB3 0.01 0.06 0.09 -0.04 1.80 1.92 1cy6A1 ARG 425 HG2 0.02 0.08 0.08 -0.04 1.67 1.81 1cy6A1 ARG 425 HG3 0.02 -0.12 -0.29 -0.04 1.67 1.25 1cy6A1 ARG 425 HD2 0.02 -0.01 -0.05 -0.04 3.22 3.14 1cy6A1 ARG 425 HD3 0.01 0.02 -0.02 -0.04 3.22 3.19 1cy6A1 GLY 426 H 0.02 0.55 0.42 -0.55 8.43 8.87 1cy6A1 GLY 426 HA2 0.02 0.20 0.75 -0.51 4.01 4.46 1cy6A1 GLY 426 HA3 0.02 -0.05 0.29 -0.51 4.01 3.76 1cy6A1 ARG 427 H 0.03 0.21 0.29 -0.55 8.46 8.44 1cy6A1 ARG 427 HA 0.05 0.33 0.80 -0.75 4.34 4.77 1cy6A1 ARG 427 HB2 -0.01 0.05 -0.27 -0.04 1.90 1.63 1cy6A1 ARG 427 HB3 0.01 0.06 -0.04 -0.04 1.80 1.79 1cy6A1 ARG 427 HG2 0.19 -0.04 -0.20 -0.04 1.67 1.58 1cy6A1 ARG 427 HG3 0.05 -0.01 -0.13 -0.04 1.67 1.53 1cy6A1 ARG 427 HD2 -0.56 -0.04 -0.16 -0.04 3.22 2.42 1cy6A1 ARG 427 HD3 -0.19 0.01 -0.10 -0.04 3.22 2.89 1cy6A1 ILE 428 H 0.11 0.43 0.30 -0.55 8.25 8.54 1cy6A1 ILE 428 HA 0.08 0.20 0.92 -0.75 4.18 4.62 1cy6A1 ILE 428 HB 0.05 -0.02 0.11 -0.04 1.89 1.99 1cy6A1 ILE 428 HG12 0.03 -0.00 -0.01 -0.04 1.49 1.46 1cy6A1 ILE 428 HG13 0.03 0.07 0.10 -0.04 1.21 1.38 1cy6A1 ILE 428 HG23 0.02 -0.00 -0.20 -0.04 0.93 0.71 1cy6A1 ILE 428 HD13 0.04 0.05 -0.37 -0.04 0.88 0.55 1cy6A1 LEU 429 H 0.05 0.19 0.12 -0.55 8.37 8.19 1cy6A1 LEU 429 HA -0.29 0.08 0.59 -0.75 4.35 3.97 1cy6A1 LEU 429 HB2 -0.08 0.03 0.06 -0.04 1.64 1.61 1cy6A1 LEU 429 HB3 -0.07 0.01 0.09 -0.04 1.64 1.63 1cy6A1 LEU 429 HG -0.23 -0.05 -0.40 -0.04 1.64 0.92 1cy6A1 LEU 429 HD13 -0.77 0.05 -0.15 -0.04 0.93 0.02 1cy6A1 LEU 429 HD23 -0.16 -0.00 -0.08 -0.04 0.89 0.61 1cy6A1 ARG 430 H -0.20 0.73 0.42 -0.55 8.46 8.86 1cy6A1 ARG 430 HA -0.02 0.16 0.84 -0.75 4.34 4.57 1cy6A1 ARG 430 HB2 -0.01 0.02 -0.05 -0.04 1.90 1.81 1cy6A1 ARG 430 HB3 0.01 -0.02 -0.06 -0.04 1.80 1.68 1cy6A1 ARG 430 HG2 0.01 0.02 -0.22 -0.04 1.67 1.45 1cy6A1 ARG 430 HG3 0.01 -0.01 -0.17 -0.04 1.67 1.47 1cy6A1 ARG 430 HD2 0.01 -0.03 -0.07 -0.04 3.22 3.09 1cy6A1 ARG 430 HD3 0.00 -0.01 -0.00 -0.04 3.22 3.17 1cy6A1 PHE 431 H -0.09 0.37 0.25 -0.55 8.34 8.31 1cy6A1 PHE 431 HA -0.12 0.14 0.75 -0.75 4.62 4.64 1cy6A1 PHE 431 HB2 -0.11 0.09 -0.07 -0.04 3.15 3.01 1cy6A1 PHE 431 HB3 -0.13 -0.09 0.19 -0.04 3.06 2.99 1cy6A1 PHE 431 HD2 -0.13 0.08 0.08 -0.04 7.28 7.26 1cy6A1 PHE 431 HE2 -0.42 0.06 -0.02 -0.04 7.38 6.96 1cy6A1 PHE 431 HZ -1.26 0.07 -0.29 -0.04 7.32 5.80 1cy6A1 ASP 432 H -0.32 0.20 0.07 -0.55 8.40 7.80 1cy6A1 ASP 432 HA -0.41 0.06 0.37 -0.75 4.63 3.90 1cy6A1 ASP 432 HB2 -0.30 0.03 -0.11 -0.04 2.71 2.30 1cy6A1 ASP 432 HB3 -0.22 0.01 0.02 -0.04 2.70 2.47 1cy6A1 GLY 433 H -1.72 0.00 -0.26 -0.55 8.43 5.91 1cy6A1 GLY 433 HA2 -0.70 0.05 0.20 -0.51 4.01 3.05 1cy6A1 GLY 433 HA3 -0.33 0.18 0.05 -0.51 4.01 3.40 1cy6A1 TRP 434 H 0.20 0.48 0.17 -0.55 7.97 8.28 1cy6A1 TRP 434 HA -0.12 0.02 0.39 -0.75 4.62 4.16 1cy6A1 TRP 434 HB2 -0.09 -0.03 0.15 -0.04 3.23 3.23 1cy6A1 TRP 434 HB3 -0.04 0.25 0.08 -0.04 3.23 3.47 1cy6A1 TRP 434 HD1 -0.01 -0.01 0.19 -0.04 7.22 7.35 1cy6A1 TRP 434 HE1 0.03 0.35 -0.07 -0.04 10.20 10.48 1cy6A1 TRP 434 HE3 -0.08 -0.01 -0.20 -0.04 7.59 7.26 1cy6A1 TRP 434 HZ2 0.02 -0.01 -0.14 -0.04 7.44 7.27 1cy6A1 TRP 434 HZ3 -0.04 -0.03 -0.09 -0.04 7.13 6.94 1cy6A1 TRP 434 HH2 -0.01 -0.04 -0.06 -0.04 7.19 7.04 1cy6A1 THR 435 H -1.02 0.39 -0.25 -0.55 8.28 6.85 1cy6A1 THR 435 HA -0.86 0.03 0.38 -0.75 4.39 3.18 1cy6A1 THR 435 HB -0.54 -0.04 0.09 -0.04 4.32 3.79 1cy6A1 THR 435 HG23 -1.39 -0.01 0.02 -0.04 1.22 -0.20 1cy6A1 LYS 436 H -0.32 0.55 -0.63 -0.55 8.42 7.46 1cy6A1 LYS 436 HA -0.19 -0.00 0.35 -0.75 4.32 3.72 1cy6A1 LYS 436 HB2 -0.35 0.27 0.05 -0.04 1.87 1.79 1cy6A1 LYS 436 HB3 -0.64 -0.00 -0.09 -0.04 1.79 1.02 1cy6A1 LYS 436 HG2 -0.13 -0.10 -0.00 -0.04 1.46 1.19 1cy6A1 LYS 436 HG3 -0.40 0.01 -0.01 -0.04 1.46 1.01 1cy6A1 LYS 436 HD2 0.05 0.02 -0.03 -0.04 1.69 1.68 1cy6A1 LYS 436 HD3 -0.07 0.04 0.15 -0.04 1.68 1.76 1cy6A1 LYS 436 HE2 -0.00 -0.05 0.02 -0.04 2.99 2.91 1cy6A1 LYS 436 HE3 0.05 0.02 0.02 -0.04 2.99 3.04 1cy6A1 VAL 437 H -0.21 0.32 -0.22 -0.55 8.24 7.59 1cy6A1 VAL 437 HA 0.08 0.14 0.62 -0.75 4.13 4.21 1cy6A1 VAL 437 HB 0.20 -0.09 0.15 -0.04 2.12 2.34 1cy6A1 VAL 437 HG13 -0.15 -0.01 -0.06 -0.04 0.97 0.71 1cy6A1 VAL 437 HG23 0.01 0.05 -0.08 -0.04 0.95 0.89 1cy6A1 MET 438 H -0.08 0.42 -0.55 -0.55 8.47 7.72 1cy6A1 MET 438 HA 0.06 0.09 0.77 -0.75 4.52 4.68 1cy6A1 MET 438 HB2 -0.11 0.11 -0.01 -0.04 2.15 2.11 1cy6A1 MET 438 HB3 0.01 -0.02 0.04 -0.04 2.03 2.02 1cy6A1 MET 438 HG2 0.02 -0.01 -0.20 -0.04 2.63 2.40 1cy6A1 MET 438 HG3 0.05 -0.04 -0.06 -0.04 2.56 2.46 1cy6A1 MET 438 HE3 0.27 -0.00 -0.17 -0.04 2.10 2.16 1cy6A1 PRO 439 HA 0.02 -0.03 0.39 -0.51 4.44 4.31 1cy6A1 PRO 439 HB2 0.01 0.01 0.01 -0.04 2.28 2.27 1cy6A1 PRO 439 HB3 0.01 0.01 0.05 -0.04 2.02 2.06 1cy6A1 PRO 439 HG2 0.03 0.00 0.05 -0.04 2.03 2.07 1cy6A1 PRO 439 HG3 0.04 0.02 0.05 -0.04 2.03 2.09 1cy6A1 PRO 439 HD2 0.03 0.07 0.14 -0.04 3.68 3.88 1cy6A1 PRO 439 HD3 0.06 0.12 0.18 -0.04 3.65 3.97 1cy6A1 ALA 440 H 0.00 0.03 0.16 -0.55 8.40 8.04 1cy6A1 ALA 440 HA -0.03 0.06 0.43 -0.75 4.34 4.04 1cy6A1 ALA 440 HB3 -0.01 -0.00 0.10 -0.04 1.41 1.46 1cy6A1 LEU 441 H -0.04 0.08 0.16 -0.55 8.37 8.03 1cy6A1 LEU 441 HA -0.01 0.04 0.36 -0.75 4.35 3.98 1cy6A1 LEU 441 HB2 -0.02 -0.01 0.14 -0.04 1.64 1.71 1cy6A1 LEU 441 HB3 -0.01 -0.02 0.04 -0.04 1.64 1.62 1cy6A1 LEU 441 HG -0.02 -0.01 0.06 -0.04 1.64 1.63 1cy6A1 LEU 441 HD13 -0.07 0.03 0.05 -0.04 0.93 0.90 1cy6A1 LEU 441 HD23 0.00 0.00 0.03 -0.04 0.89 0.88 1cy6A1 ARG 442 H -0.00 0.12 0.10 -0.55 8.46 8.12 1cy6A1 ARG 442 HA 0.00 0.10 0.20 -0.75 4.34 3.88 1cy6A1 ARG 442 HB2 0.00 0.02 0.09 -0.04 1.90 1.97 1cy6A1 ARG 442 HB3 0.00 -0.01 0.12 -0.04 1.80 1.87 1cy6A1 ARG 442 HG2 0.00 0.01 0.06 -0.04 1.67 1.70 1cy6A1 ARG 442 HG3 0.01 -0.01 0.02 -0.04 1.67 1.64 1cy6A1 ARG 442 HD2 0.01 -0.01 -0.11 -0.04 3.22 3.07 1cy6A1 ARG 442 HD3 0.00 0.05 -0.10 -0.04 3.22 3.13 1cy6A1 GLU 446 HA 0.01 -0.13 0.17 -0.75 4.29 3.59 1cy6A1 GLU 446 HB2 0.02 -0.05 0.07 -0.04 2.09 2.08 1cy6A1 GLU 446 HB3 0.04 -0.01 0.06 -0.04 1.99 2.04 1cy6A1 GLU 446 HG2 0.02 -0.02 -0.06 -0.04 2.34 2.25 1cy6A1 GLU 446 HG3 0.02 0.13 -0.27 -0.04 2.34 2.18 1cy6A1 ASP 447 H 0.01 0.03 0.02 -0.55 8.40 7.92 1cy6A1 ASP 447 HA 0.01 -0.05 0.37 -0.75 4.63 4.21 1cy6A1 ASP 447 HB2 0.01 -0.02 0.05 -0.04 2.71 2.71 1cy6A1 ASP 447 HB3 0.01 0.04 -0.00 -0.04 2.70 2.71 1cy6A1 ARG 448 H 0.02 0.16 0.11 -0.55 8.46 8.19 1cy6A1 ARG 448 HA 0.02 0.05 0.51 -0.75 4.34 4.16 1cy6A1 ARG 448 HB2 0.03 -0.41 0.44 -0.04 1.90 1.92 1cy6A1 ARG 448 HB3 0.03 0.29 0.20 -0.04 1.80 2.28 1cy6A1 ARG 448 HG2 0.02 -0.10 -0.21 -0.04 1.67 1.34 1cy6A1 ARG 448 HG3 0.03 -0.19 0.09 -0.04 1.67 1.55 1cy6A1 ARG 448 HD2 0.06 0.21 0.38 -0.04 3.22 3.82 1cy6A1 ARG 448 HD3 0.05 0.19 0.06 -0.04 3.22 3.48 1cy6A1 ILE 449 H 0.02 0.16 0.16 -0.55 8.25 8.05 1cy6A1 ILE 449 HA 0.02 -0.05 0.40 -0.75 4.18 3.79 1cy6A1 ILE 449 HB 0.01 0.01 -0.05 -0.04 1.89 1.82 1cy6A1 ILE 449 HG12 0.01 -0.09 -0.41 -0.04 1.49 0.96 1cy6A1 ILE 449 HG13 0.01 0.12 0.29 -0.04 1.21 1.59 1cy6A1 ILE 449 HG23 0.02 0.00 -0.02 -0.04 0.93 0.89 1cy6A1 ILE 449 HD13 0.01 -0.02 -0.04 -0.04 0.88 0.79 1cy6A1 LEU 450 H 0.02 0.06 0.06 -0.55 8.37 7.96 1cy6A1 LEU 450 HA 0.01 0.21 0.72 -0.75 4.35 4.53 1cy6A1 LEU 450 HB2 0.02 -0.06 -0.01 -0.04 1.64 1.55 1cy6A1 LEU 450 HB3 0.01 0.05 -0.05 -0.04 1.64 1.61 1cy6A1 LEU 450 HG 0.02 -0.11 -0.28 -0.04 1.64 1.23 1cy6A1 LEU 450 HD13 0.02 -0.04 -0.38 -0.04 0.93 0.48 1cy6A1 LEU 450 HD23 0.02 0.05 -0.12 -0.04 0.89 0.80 1cy6A1 PRO 451 HA 0.01 0.02 0.34 -0.51 4.44 4.30 1cy6A1 PRO 451 HB2 0.00 -0.01 -0.07 -0.04 2.28 2.16 1cy6A1 PRO 451 HB3 0.00 -0.00 0.03 -0.04 2.02 2.01 1cy6A1 PRO 451 HG2 0.01 -0.06 -0.16 -0.04 2.03 1.77 1cy6A1 PRO 451 HG3 0.00 0.25 -0.28 -0.04 2.03 1.97 1cy6A1 PRO 451 HD2 0.01 -0.01 0.23 -0.04 3.68 3.87 1cy6A1 PRO 451 HD3 0.01 0.26 0.21 -0.04 3.65 4.08 1cy6A1 ALA 452 H 0.01 0.06 0.11 -0.55 8.40 8.04 1cy6A1 ALA 452 HA 0.01 0.12 0.53 -0.75 4.34 4.25 1cy6A1 ALA 452 HB3 0.01 -0.00 0.07 -0.04 1.41 1.44 1cy6A1 VAL 453 H 0.01 0.28 0.14 -0.55 8.24 8.12 1cy6A1 VAL 453 HA 0.01 0.05 0.63 -0.75 4.13 4.06 1cy6A1 VAL 453 HB 0.01 -0.02 -0.10 -0.04 2.12 1.97 1cy6A1 VAL 453 HG13 0.01 -0.01 -0.38 -0.04 0.97 0.55 1cy6A1 VAL 453 HG23 0.01 0.04 -0.15 -0.04 0.95 0.81 1cy6A1 ASN 454 H 0.01 0.14 0.12 -0.55 8.53 8.25 1cy6A1 ASN 454 HA 0.01 0.19 0.84 -0.75 4.76 5.04 1cy6A1 ASN 454 HB2 0.01 -0.03 0.03 -0.04 2.88 2.85 1cy6A1 ASN 454 HB3 0.01 0.11 -0.07 -0.04 2.79 2.79 1cy6A1 ASN 454 HD21 0.00 0.02 -0.06 -0.04 7.03 6.96 1cy6A1 ASN 454 HD22 0.01 0.02 -0.04 -0.04 7.74 7.68 1cy6A1 LYS 455 H 0.01 0.15 0.11 -0.55 8.42 8.13 1cy6A1 LYS 455 HA 0.01 -0.01 0.27 -0.75 4.32 3.83 1cy6A1 LYS 455 HB2 0.01 -0.08 0.09 -0.04 1.87 1.84 1cy6A1 LYS 455 HB3 0.00 -0.01 0.18 -0.04 1.79 1.93 1cy6A1 LYS 455 HG2 0.00 0.05 -0.28 -0.04 1.46 1.19 1cy6A1 LYS 455 HG3 0.00 0.05 -0.36 -0.04 1.46 1.11 1cy6A1 LYS 455 HD2 -0.00 0.11 -0.01 -0.04 1.69 1.75 1cy6A1 LYS 455 HD3 0.00 -0.10 0.05 -0.04 1.68 1.58 1cy6A1 LYS 455 HE2 0.00 -0.04 0.05 -0.04 2.99 2.96 1cy6A1 LYS 455 HE3 0.00 0.01 0.00 -0.04 2.99 2.97 1cy6A1 GLY 456 H 0.01 0.12 0.38 -0.55 8.43 8.40 1cy6A1 GLY 456 HA2 0.01 0.05 0.35 -0.51 4.01 3.91 1cy6A1 GLY 456 HA3 0.01 0.16 0.92 -0.51 4.01 4.59 1cy6A1 ASP 457 H 0.01 0.41 0.22 -0.55 8.40 8.49 1cy6A1 ASP 457 HA 0.01 0.11 0.55 -0.75 4.63 4.55 1cy6A1 ASP 457 HB2 0.01 -0.04 0.13 -0.04 2.71 2.77 1cy6A1 ASP 457 HB3 0.01 0.05 0.13 -0.04 2.70 2.85 1cy6A1 ALA 458 H 0.02 0.10 0.22 -0.55 8.40 8.19 1cy6A1 ALA 458 HA 0.04 0.25 0.97 -0.75 4.34 4.86 1cy6A1 ALA 458 HB3 0.02 0.01 0.11 -0.04 1.41 1.51 1cy6A1 LEU 459 H 0.07 0.53 0.20 -0.55 8.37 8.63 1cy6A1 LEU 459 HA -0.00 0.39 0.86 -0.75 4.35 4.84 1cy6A1 LEU 459 HB2 0.07 -0.07 -0.15 -0.04 1.64 1.44 1cy6A1 LEU 459 HB3 -0.04 -0.02 -0.07 -0.04 1.64 1.47 1cy6A1 LEU 459 HG 0.05 -0.05 -0.28 -0.04 1.64 1.32 1cy6A1 LEU 459 HD13 0.07 -0.02 -0.27 -0.04 0.93 0.66 1cy6A1 LEU 459 HD23 0.01 0.01 -0.26 -0.04 0.89 0.61 1cy6A1 THR 460 H -0.05 0.31 0.29 -0.55 8.28 8.28 1cy6A1 THR 460 HA -0.04 0.17 0.93 -0.75 4.39 4.69 1cy6A1 THR 460 HB -0.04 -0.06 0.08 -0.04 4.32 4.26 1cy6A1 THR 460 HG23 -0.03 0.05 -0.03 -0.04 1.22 1.16 1cy6A1 LEU 461 H -0.14 0.19 0.14 -0.55 8.37 8.01 1cy6A1 LEU 461 HA -0.35 0.04 0.57 -0.75 4.35 3.86 1cy6A1 LEU 461 HB2 -0.44 0.04 0.03 -0.04 1.64 1.23 1cy6A1 LEU 461 HB3 -0.11 0.05 0.07 -0.04 1.64 1.60 1cy6A1 LEU 461 HG -0.13 -0.06 -0.27 -0.04 1.64 1.14 1cy6A1 LEU 461 HD13 -0.41 0.00 -0.09 -0.04 0.93 0.39 1cy6A1 LEU 461 HD23 -0.00 0.04 -0.14 -0.04 0.89 0.75 1cy6A1 VAL 462 H -0.13 0.44 0.41 -0.55 8.24 8.40 1cy6A1 VAL 462 HA -0.05 0.20 0.98 -0.75 4.13 4.50 1cy6A1 VAL 462 HB -0.05 0.06 0.05 -0.04 2.12 2.13 1cy6A1 VAL 462 HG13 -0.03 -0.02 -0.10 -0.04 0.97 0.77 1cy6A1 VAL 462 HG23 -0.05 0.00 -0.21 -0.04 0.95 0.65 1cy6A1 GLU 463 H -0.07 0.29 0.34 -0.55 8.60 8.61 1cy6A1 GLU 463 HA -0.03 0.12 0.54 -0.75 4.29 4.17 1cy6A1 GLU 463 HB2 -0.02 0.15 -0.22 -0.04 2.09 1.96 1cy6A1 GLU 463 HB3 -0.02 -0.08 -0.06 -0.04 1.99 1.78 1cy6A1 GLU 463 HG2 -0.00 -0.02 -0.04 -0.04 2.34 2.23 1cy6A1 GLU 463 HG3 -0.00 0.04 -0.19 -0.04 2.34 2.14 1cy6A1 LEU 464 H -0.01 0.24 0.17 -0.55 8.37 8.22 1cy6A1 LEU 464 HA -0.00 0.23 1.04 -0.75 4.35 4.86 1cy6A1 LEU 464 HB2 -0.00 -0.02 0.12 -0.04 1.64 1.69 1cy6A1 LEU 464 HB3 0.01 0.00 -0.03 -0.04 1.64 1.58 1cy6A1 LEU 464 HG -0.01 -0.04 -0.22 -0.04 1.64 1.33 1cy6A1 LEU 464 HD13 -0.02 -0.02 -0.09 -0.04 0.93 0.75 1cy6A1 LEU 464 HD23 -0.00 0.02 -0.03 -0.04 0.89 0.83 1cy6A1 THR 465 H 0.03 0.45 0.10 -0.55 8.28 8.31 1cy6A1 THR 465 HA 0.04 0.28 1.10 -0.75 4.39 5.05 1cy6A1 THR 465 HB 0.04 -0.08 0.10 -0.04 4.32 4.34 1cy6A1 THR 465 HG23 0.03 0.03 -0.09 -0.04 1.22 1.15 1cy6A1 PRO 466 HA 0.19 0.18 0.86 -0.51 4.44 5.16 1cy6A1 PRO 466 HB2 0.31 -0.01 0.00 -0.04 2.28 2.55 1cy6A1 PRO 466 HB3 0.12 -0.01 0.06 -0.04 2.02 2.16 1cy6A1 PRO 466 HG2 0.18 0.02 0.09 -0.04 2.03 2.27 1cy6A1 PRO 466 HG3 0.07 0.02 0.03 -0.04 2.03 2.11 1cy6A1 PRO 466 HD2 0.07 0.14 0.24 -0.04 3.68 4.09 1cy6A1 PRO 466 HD3 0.06 0.12 -0.07 -0.04 3.65 3.72 1cy6A1 ALA 467 H 0.24 0.68 0.37 -0.55 8.40 9.15 1cy6A1 ALA 467 HA -0.11 0.12 0.87 -0.75 4.34 4.48 1cy6A1 ALA 467 HB3 -0.07 0.02 -0.06 -0.04 1.41 1.26 1cy6A1 GLN 468 H -0.76 0.16 0.14 -0.55 8.47 7.46 1cy6A1 GLN 468 HA -1.96 0.07 0.77 -0.75 4.36 2.48 1cy6A1 GLN 468 HB2 -3.09 -0.07 0.02 -0.04 2.15 -1.04 1cy6A1 GLN 468 HB3 -0.99 -0.01 0.12 -0.04 2.02 1.10 1cy6A1 GLN 468 HG2 -0.82 0.17 -0.26 -0.04 2.40 1.45 1cy6A1 GLN 468 HG3 -1.34 -0.04 -0.01 -0.04 2.39 0.96 1cy6A1 GLN 468 HE21 -0.06 -0.04 -0.03 -0.04 6.97 6.81 1cy6A1 GLN 468 HE22 -0.29 0.01 -0.04 -0.04 7.69 7.33 1cy6A1 HIS 469 H -1.14 0.54 0.34 -0.55 8.41 7.59 1cy6A1 HIS 469 HA -1.97 0.22 1.03 -0.75 4.63 3.16 1cy6A1 HIS 469 HB2 -2.31 0.16 0.05 -0.04 3.26 1.13 1cy6A1 HIS 469 HB3 -1.08 -0.20 0.16 -0.04 3.20 2.04 1cy6A1 HIS 469 HD2 -0.20 0.00 -0.00 -0.04 6.97 6.72 1cy6A1 HIS 469 HE1 -0.16 -0.05 -0.13 -0.04 7.75 7.36 1cy6A1 PHE 470 H -0.30 0.20 0.11 -0.55 8.34 7.80 1cy6A1 PHE 470 HA 0.11 0.21 0.83 -0.75 4.62 5.02 1cy6A1 PHE 470 HB2 0.06 0.12 -0.07 -0.04 3.15 3.22 1cy6A1 PHE 470 HB3 -0.02 0.04 -0.11 -0.04 3.06 2.93 1cy6A1 PHE 470 HD2 -0.01 0.04 -0.02 -0.04 7.28 7.25 1cy6A1 PHE 470 HE2 -0.05 -0.00 -0.00 -0.04 7.38 7.28 1cy6A1 PHE 470 HZ -0.16 -0.01 0.02 -0.04 7.32 7.13 1cy6A1 THR 471 H 0.31 0.52 0.31 -0.55 8.28 8.88 1cy6A1 THR 471 HA 0.26 0.03 0.47 -0.75 4.39 4.39 1cy6A1 THR 471 HB 0.30 0.07 0.07 -0.04 4.32 4.72 1cy6A1 THR 471 HG23 0.05 0.03 0.05 -0.04 1.22 1.31 1cy6A1 LYS 472 H 0.17 0.10 0.18 -0.55 8.42 8.31 1cy6A1 LYS 472 HA 0.15 0.26 0.98 -0.75 4.32 4.96 1cy6A1 LYS 472 HB2 0.01 -0.08 0.05 -0.04 1.87 1.81 1cy6A1 LYS 472 HB3 -0.02 0.08 0.01 -0.04 1.79 1.82 1cy6A1 LYS 472 HG2 0.19 0.03 -0.09 -0.04 1.46 1.55 1cy6A1 LYS 472 HG3 0.07 -0.06 -0.02 -0.04 1.46 1.42 1cy6A1 LYS 472 HD2 -0.02 -0.04 -0.02 -0.04 1.69 1.57 1cy6A1 LYS 472 HD3 0.09 0.17 -0.16 -0.04 1.68 1.75 1cy6A1 LYS 472 HE2 -0.39 -0.06 -0.05 -0.04 2.99 2.46 1cy6A1 LYS 472 HE3 0.34 0.26 -0.05 -0.04 2.99 3.50 1cy6A1 PRO 473 HA -1.81 0.10 0.52 -0.51 4.44 2.74 1cy6A1 PRO 473 HB2 -0.27 0.09 0.03 -0.04 2.28 2.08 1cy6A1 PRO 473 HB3 -0.19 0.03 0.06 -0.04 2.02 1.89 1cy6A1 PRO 473 HG2 -0.13 0.01 0.05 -0.04 2.03 1.92 1cy6A1 PRO 473 HG3 0.00 0.05 0.06 -0.04 2.03 2.10 1cy6A1 PRO 473 HD2 -0.04 0.04 0.20 -0.04 3.68 3.85 1cy6A1 PRO 473 HD3 0.13 0.18 0.15 -0.04 3.65 4.08 1cy6A1 PRO 474 HA -0.21 -0.08 0.37 -0.51 4.44 4.02 1cy6A1 PRO 474 HB2 -0.20 0.03 0.05 -0.04 2.28 2.12 1cy6A1 PRO 474 HB3 -0.19 -0.02 0.07 -0.04 2.02 1.85 1cy6A1 PRO 474 HG2 -0.16 0.02 0.03 -0.04 2.03 1.88 1cy6A1 PRO 474 HG3 -0.19 0.02 0.09 -0.04 2.03 1.90 1cy6A1 PRO 474 HD2 -0.49 0.13 0.10 -0.04 3.68 3.38 1cy6A1 PRO 474 HD3 -0.79 0.16 0.21 -0.04 3.65 3.19 1cy6A1 ALA 475 H -0.16 -0.01 0.14 -0.55 8.40 7.83 1cy6A1 ALA 475 HA -0.12 0.13 0.45 -0.75 4.34 4.04 1cy6A1 ALA 475 HB3 -0.10 -0.01 0.07 -0.04 1.41 1.33 1cy6A1 ARG 476 H -0.11 0.12 0.18 -0.55 8.46 8.10 1cy6A1 ARG 476 HA -0.19 0.12 0.72 -0.75 4.34 4.24 1cy6A1 ARG 476 HB2 -0.12 -0.04 0.19 -0.04 1.90 1.89 1cy6A1 ARG 476 HB3 -0.15 0.06 0.10 -0.04 1.80 1.77 1cy6A1 ARG 476 HG2 -0.21 0.02 0.04 -0.04 1.67 1.47 1cy6A1 ARG 476 HG3 -0.15 0.04 0.01 -0.04 1.67 1.53 1cy6A1 ARG 476 HD2 -0.19 -0.03 0.02 -0.04 3.22 2.98 1cy6A1 ARG 476 HD3 -0.76 0.05 -0.01 -0.04 3.22 2.46 1cy6A1 PHE 477 H -0.08 0.14 0.14 -0.55 8.34 7.98 1cy6A1 PHE 477 HA 0.02 0.02 0.28 -0.75 4.62 4.19 1cy6A1 PHE 477 HB2 0.05 0.02 0.04 -0.04 3.15 3.21 1cy6A1 PHE 477 HB3 0.11 -0.05 -0.04 -0.04 3.06 3.05 1cy6A1 PHE 477 HD2 -0.05 -0.08 -0.13 -0.04 7.28 6.98 1cy6A1 PHE 477 HE2 -0.06 0.08 -0.12 -0.04 7.38 7.24 1cy6A1 PHE 477 HZ -0.07 0.03 -0.04 -0.04 7.32 7.19 1cy6A1 SER 478 H 0.33 0.10 0.25 -0.55 8.46 8.60 1cy6A1 SER 478 HA 0.11 0.24 0.63 -0.75 4.49 4.73 1cy6A1 SER 478 HB2 0.04 0.34 0.21 -0.04 3.95 4.49 1cy6A1 SER 478 HB3 0.08 0.19 0.02 -0.04 3.93 4.18 1cy6A1 GLU 479 H 0.02 0.31 0.07 -0.55 8.60 8.45 1cy6A1 GLU 479 HA 0.28 0.10 0.34 -0.75 4.29 4.27 1cy6A1 GLU 479 HB2 0.03 0.04 0.07 -0.04 2.09 2.18 1cy6A1 GLU 479 HB3 0.07 -0.05 0.14 -0.04 1.99 2.11 1cy6A1 GLU 479 HG2 0.06 0.09 -0.02 -0.04 2.34 2.43 1cy6A1 GLU 479 HG3 -0.15 0.04 0.01 -0.04 2.34 2.20 1cy6A1 ALA 480 H 0.07 0.01 -0.72 -0.55 8.40 7.21 1cy6A1 ALA 480 HA -0.01 0.14 0.57 -0.75 4.34 4.28 1cy6A1 ALA 480 HB3 0.01 0.04 0.06 -0.04 1.41 1.48 1cy6A1 SER 481 H 0.09 0.15 0.07 -0.55 8.46 8.22 1cy6A1 SER 481 HA 0.06 0.10 0.37 -0.75 4.49 4.27 1cy6A1 SER 481 HB2 0.47 -0.02 0.01 -0.04 3.95 4.36 1cy6A1 SER 481 HB3 0.17 0.11 0.09 -0.04 3.93 4.27 1cy6A1 LEU 482 H 0.02 0.34 -0.55 -0.55 8.37 7.62 1cy6A1 LEU 482 HA -0.62 0.15 0.55 -0.75 4.35 3.68 1cy6A1 LEU 482 HB2 -0.24 0.06 -0.02 -0.04 1.64 1.40 1cy6A1 LEU 482 HB3 -0.10 -0.02 -0.04 -0.04 1.64 1.44 1cy6A1 LEU 482 HG -0.33 -0.04 -0.17 -0.04 1.64 1.07 1cy6A1 LEU 482 HD13 -0.97 0.01 -0.02 -0.04 0.93 -0.08 1cy6A1 LEU 482 HD23 -0.66 0.01 -0.15 -0.04 0.89 0.05 1cy6A1 VAL 483 H -0.10 0.34 -0.14 -0.55 8.24 7.78 1cy6A1 VAL 483 HA -0.24 0.01 0.42 -0.75 4.13 3.56 1cy6A1 VAL 483 HB -0.15 0.11 0.18 -0.04 2.12 2.22 1cy6A1 VAL 483 HG13 -0.17 0.13 0.06 -0.04 0.97 0.95 1cy6A1 VAL 483 HG23 -0.67 -0.03 0.02 -0.04 0.95 0.22 1cy6A1 LYS 484 H -0.12 0.48 -0.24 -0.55 8.42 7.99 1cy6A1 LYS 484 HA -0.12 -0.00 0.31 -0.75 4.32 3.75 1cy6A1 LYS 484 HB2 -0.04 0.11 0.08 -0.04 1.87 1.98 1cy6A1 LYS 484 HB3 -0.01 0.16 0.05 -0.04 1.79 1.96 1cy6A1 LYS 484 HG2 -0.05 -0.06 -0.02 -0.04 1.46 1.29 1cy6A1 LYS 484 HG3 -0.01 0.01 -0.05 -0.04 1.46 1.37 1cy6A1 LYS 484 HD2 -0.02 0.03 -0.21 -0.04 1.69 1.45 1cy6A1 LYS 484 HD3 -0.03 -0.02 -0.05 -0.04 1.68 1.54 1cy6A1 LYS 484 HE2 0.01 0.01 -0.04 -0.04 2.99 2.93 1cy6A1 LYS 484 HE3 -0.00 0.04 -0.05 -0.04 2.99 2.93 1cy6A1 GLU 485 H -0.08 0.50 -0.19 -0.55 8.60 8.29 1cy6A1 GLU 485 HA -0.03 0.05 0.39 -0.75 4.29 3.95 1cy6A1 GLU 485 HB2 0.10 0.11 0.16 -0.04 2.09 2.42 1cy6A1 GLU 485 HB3 -0.27 0.02 0.13 -0.04 1.99 1.84 1cy6A1 GLU 485 HG2 0.06 -0.00 -0.02 -0.04 2.34 2.34 1cy6A1 GLU 485 HG3 -0.12 -0.02 -0.14 -0.04 2.34 2.02 1cy6A1 LEU 486 H -0.16 0.62 -0.28 -0.55 8.37 8.00 1cy6A1 LEU 486 HA -0.08 0.07 0.43 -0.75 4.35 4.02 1cy6A1 LEU 486 HB2 -0.11 0.07 0.23 -0.04 1.64 1.79 1cy6A1 LEU 486 HB3 0.08 -0.20 0.01 -0.04 1.64 1.49 1cy6A1 LEU 486 HG -0.18 0.15 0.01 -0.04 1.64 1.58 1cy6A1 LEU 486 HD13 -0.04 -0.05 -0.15 -0.04 0.93 0.65 1cy6A1 LEU 486 HD23 -0.04 -0.00 -0.07 -0.04 0.89 0.73 1cy6A1 GLU 487 H -0.13 0.72 -0.11 -0.55 8.60 8.54 1cy6A1 GLU 487 HA 0.11 -0.07 0.41 -0.75 4.29 3.99 1cy6A1 GLU 487 HB2 -0.13 -0.14 0.08 -0.04 2.09 1.86 1cy6A1 GLU 487 HB3 -0.10 0.17 0.19 -0.04 1.99 2.21 1cy6A1 GLU 487 HG2 -0.00 0.11 -0.37 -0.04 2.34 2.04 1cy6A1 GLU 487 HG3 0.06 -0.04 -0.04 -0.04 2.34 2.28 1cy6A1 LYS 488 H -0.05 0.68 0.01 -0.55 8.42 8.52 1cy6A1 LYS 488 HA -0.02 0.01 0.37 -0.75 4.32 3.92 1cy6A1 LYS 488 HB2 -0.03 0.00 0.10 -0.04 1.87 1.90 1cy6A1 LYS 488 HB3 -0.04 0.08 0.14 -0.04 1.79 1.92 1cy6A1 LYS 488 HG2 -0.03 0.03 -0.16 -0.04 1.46 1.26 1cy6A1 LYS 488 HG3 -0.02 -0.03 0.04 -0.04 1.46 1.41 1cy6A1 LYS 488 HD2 -0.01 -0.04 -0.03 -0.04 1.69 1.57 1cy6A1 LYS 488 HD3 -0.02 0.00 -0.03 -0.04 1.68 1.59 1cy6A1 LYS 488 HE2 -0.02 0.01 -0.03 -0.04 2.99 2.91 1cy6A1 LYS 488 HE3 -0.01 -0.00 -0.02 -0.04 2.99 2.91 1cy6A1 ARG 489 H -0.05 0.32 -0.48 -0.55 8.46 7.71 1cy6A1 ARG 489 HA -0.04 0.16 0.70 -0.75 4.34 4.41 1cy6A1 ARG 489 HB2 -0.10 0.03 0.09 -0.04 1.90 1.88 1cy6A1 ARG 489 HB3 -0.09 -0.04 0.11 -0.04 1.80 1.74 1cy6A1 ARG 489 HG2 -0.12 -0.00 -0.02 -0.04 1.67 1.48 1cy6A1 ARG 489 HG3 -0.11 0.03 -0.04 -0.04 1.67 1.51 1cy6A1 ARG 489 HD2 -0.32 -0.01 -0.03 -0.04 3.22 2.82 1cy6A1 ARG 489 HD3 -0.51 -0.05 0.00 -0.04 3.22 2.63 1cy6A1 GLY 490 H 0.00 0.55 -0.33 -0.55 8.43 8.10 1cy6A1 GLY 490 HA2 0.02 -0.01 0.30 -0.51 4.01 3.80 1cy6A1 GLY 490 HA3 0.00 0.04 0.43 -0.51 4.01 3.98 1cy6A1 ILE 491 H 0.02 0.38 -0.07 -0.55 8.25 8.03 1cy6A1 ILE 491 HA 0.02 0.21 0.76 -0.75 4.18 4.41 1cy6A1 ILE 491 HB 0.01 0.02 0.09 -0.04 1.89 1.96 1cy6A1 ILE 491 HG12 0.08 -0.05 -0.05 -0.04 1.49 1.43 1cy6A1 ILE 491 HG13 0.06 -0.02 -0.08 -0.04 1.21 1.13 1cy6A1 ILE 491 HG23 0.03 -0.04 -0.23 -0.04 0.93 0.64 1cy6A1 ILE 491 HD13 0.04 0.03 -0.26 -0.04 0.88 0.64 1cy6A1 GLY 492 H 0.13 0.20 -0.15 -0.55 8.43 8.06 1cy6A1 GLY 492 HA2 0.03 0.04 0.22 -0.51 4.01 3.79 1cy6A1 GLY 492 HA3 0.50 -0.11 0.23 -0.51 4.01 4.12 1cy6A1 ARG 493 H -1.69 0.02 -0.01 -0.55 8.46 6.24 1cy6A1 ARG 493 HA -0.35 0.19 0.32 -0.75 4.34 3.74 1cy6A1 ARG 493 HB2 -0.21 0.31 -0.30 -0.04 1.90 1.65 1cy6A1 ARG 493 HB3 -0.26 -0.23 -0.07 -0.04 1.80 1.20 1cy6A1 ARG 493 HG2 -0.13 -0.02 -0.00 -0.04 1.67 1.47 1cy6A1 ARG 493 HG3 -0.17 -0.10 0.04 -0.04 1.67 1.40 1cy6A1 ARG 493 HD2 -0.12 0.02 0.06 -0.04 3.22 3.14 1cy6A1 ARG 493 HD3 -0.10 0.14 0.07 -0.04 3.22 3.30 1cy6A1 PRO 494 HA -0.06 0.03 0.44 -0.51 4.44 4.34 1cy6A1 PRO 494 HB2 -0.14 0.00 -0.00 -0.04 2.28 2.10 1cy6A1 PRO 494 HB3 -0.09 -0.02 0.07 -0.04 2.02 1.95 1cy6A1 PRO 494 HG2 -0.09 0.08 -0.16 -0.04 2.03 1.82 1cy6A1 PRO 494 HG3 0.01 0.08 0.05 -0.04 2.03 2.13 1cy6A1 PRO 494 HD2 -0.18 0.17 0.11 -0.04 3.68 3.73 1cy6A1 PRO 494 HD3 -0.16 0.21 0.12 -0.04 3.65 3.79 1cy6A1 SER 495 H -0.19 0.14 -0.29 -0.55 8.46 7.58 1cy6A1 SER 495 HA -0.10 0.16 0.61 -0.75 4.49 4.41 1cy6A1 SER 495 HB2 -0.05 0.02 0.15 -0.04 3.95 4.03 1cy6A1 SER 495 HB3 -0.07 -0.03 0.06 -0.04 3.93 3.84 1cy6A1 THR 496 H -0.30 0.86 -0.14 -0.55 8.28 8.14 1cy6A1 THR 496 HA -0.06 0.24 1.10 -0.75 4.39 4.91 1cy6A1 THR 496 HB -0.07 -0.03 -0.00 -0.04 4.32 4.17 1cy6A1 THR 496 HG23 -0.10 0.01 -0.21 -0.04 1.22 0.87 1cy6A1 TYR 497 H -0.33 0.40 0.09 -0.55 8.29 7.89 1cy6A1 TYR 497 HA -0.03 0.06 0.33 -0.75 4.56 4.16 1cy6A1 TYR 497 HB2 -0.03 0.03 0.09 -0.04 3.06 3.11 1cy6A1 TYR 497 HB3 -0.03 0.03 0.01 -0.04 2.98 2.94 1cy6A1 TYR 497 HD2 -0.05 0.08 0.00 -0.04 7.15 7.14 1cy6A1 TYR 497 HE2 -0.05 0.02 -0.07 -0.04 6.85 6.72 1cy6A1 ALA 498 H 0.10 0.18 -0.26 -0.55 8.40 7.87 1cy6A1 ALA 498 HA 0.06 0.01 0.31 -0.75 4.34 3.97 1cy6A1 ALA 498 HB3 0.03 0.03 -0.03 -0.04 1.41 1.40 1cy6A1 SER 499 H 0.03 0.23 -0.17 -0.55 8.46 8.00 1cy6A1 SER 499 HA 0.03 0.07 0.54 -0.75 4.49 4.38 1cy6A1 SER 499 HB2 0.02 0.02 0.02 -0.04 3.95 3.98 1cy6A1 SER 499 HB3 0.02 0.03 0.07 -0.04 3.93 4.01 1cy6A1 ILE 500 H 0.04 0.52 -0.20 -0.55 8.25 8.06 1cy6A1 ILE 500 HA 0.03 -0.00 0.37 -0.75 4.18 3.82 1cy6A1 ILE 500 HB 0.06 0.17 0.10 -0.04 1.89 2.18 1cy6A1 ILE 500 HG12 0.01 -0.08 -0.08 -0.04 1.49 1.30 1cy6A1 ILE 500 HG13 0.01 0.21 -0.08 -0.04 1.21 1.31 1cy6A1 ILE 500 HG23 0.01 -0.01 -0.20 -0.04 0.93 0.68 1cy6A1 ILE 500 HD13 0.02 -0.01 -0.20 -0.04 0.88 0.65 1cy6A1 ILE 501 H 0.06 0.40 -0.22 -0.55 8.25 7.94 1cy6A1 ILE 501 HA 0.09 0.08 0.37 -0.75 4.18 3.96 1cy6A1 ILE 501 HB 0.08 0.08 0.09 -0.04 1.89 2.09 1cy6A1 ILE 501 HG12 0.06 0.28 0.05 -0.04 1.49 1.85 1cy6A1 ILE 501 HG13 0.06 -0.06 0.00 -0.04 1.21 1.17 1cy6A1 ILE 501 HG23 0.20 -0.02 -0.08 -0.04 0.93 0.99 1cy6A1 ILE 501 HD13 0.04 -0.02 -0.11 -0.04 0.88 0.75 1cy6A1 SER 502 H 0.06 0.30 -0.19 -0.55 8.46 8.08 1cy6A1 SER 502 HA 0.07 0.09 0.55 -0.75 4.49 4.45 1cy6A1 SER 502 HB2 0.04 0.01 0.07 -0.04 3.95 4.02 1cy6A1 SER 502 HB3 0.04 -0.05 0.09 -0.04 3.93 3.97 1cy6A1 THR 503 H 0.06 0.54 -0.16 -0.55 8.28 8.16 1cy6A1 THR 503 HA 0.05 0.07 0.47 -0.75 4.39 4.23 1cy6A1 THR 503 HB 0.05 0.04 0.20 -0.04 4.32 4.57 1cy6A1 THR 503 HG23 0.07 -0.01 -0.20 -0.04 1.22 1.04 1cy6A1 ILE 504 H 0.08 0.41 -0.04 -0.55 8.25 8.15 1cy6A1 ILE 504 HA 0.17 0.02 0.23 -0.75 4.18 3.84 1cy6A1 ILE 504 HB 0.09 -0.04 0.06 -0.04 1.89 1.96 1cy6A1 ILE 504 HG12 0.07 0.16 -0.00 -0.04 1.49 1.68 1cy6A1 ILE 504 HG13 0.16 0.05 -0.43 -0.04 1.21 0.94 1cy6A1 ILE 504 HG23 0.03 0.03 0.07 -0.04 0.93 1.02 1cy6A1 ILE 504 HD13 -0.18 -0.04 -0.15 -0.04 0.88 0.47 1cy6A1 GLN 505 H 0.10 0.16 -1.40 -0.55 8.47 6.79 1cy6A1 GLN 505 HA 0.14 0.26 1.02 -0.75 4.36 5.02 1cy6A1 GLN 505 HB2 0.11 0.11 0.05 -0.04 2.15 2.38 1cy6A1 GLN 505 HB3 0.07 -0.03 -0.01 -0.04 2.02 2.01 1cy6A1 GLN 505 HG2 0.16 0.03 -0.02 -0.04 2.40 2.53 1cy6A1 GLN 505 HG3 0.32 0.00 -0.18 -0.04 2.39 2.49 1cy6A1 GLN 505 HE21 0.00 -0.13 -0.05 -0.04 6.97 6.75 1cy6A1 GLN 505 HE22 0.12 0.27 -0.04 -0.04 7.69 7.99 1cy6A1 ASP 506 H 0.05 0.44 0.17 -0.55 8.40 8.51 1cy6A1 ASP 506 HA 0.01 0.22 0.97 -0.75 4.63 5.07 1cy6A1 ASP 506 HB2 0.02 0.04 0.15 -0.04 2.71 2.88 1cy6A1 ASP 506 HB3 0.01 0.01 0.22 -0.04 2.70 2.89 1cy6A1 ARG 507 H -0.03 0.10 -0.34 -0.55 8.46 7.64 1cy6A1 ARG 507 HA -0.11 0.27 0.82 -0.75 4.34 4.56 1cy6A1 ARG 507 HB2 -0.17 -0.05 -0.07 -0.04 1.90 1.57 1cy6A1 ARG 507 HB3 -0.31 0.01 0.09 -0.04 1.80 1.55 1cy6A1 ARG 507 HG2 0.01 0.07 -0.07 -0.04 1.67 1.64 1cy6A1 ARG 507 HG3 0.02 -0.02 -0.20 -0.04 1.67 1.42 1cy6A1 ARG 507 HD2 0.15 -0.03 -0.22 -0.04 3.22 3.08 1cy6A1 ARG 507 HD3 0.21 0.04 -0.12 -0.04 3.22 3.31 1cy6A1 GLY 508 H -0.08 0.16 -0.22 -0.55 8.43 7.75 1cy6A1 GLY 508 HA2 -0.04 0.06 0.22 -0.51 4.01 3.73 1cy6A1 GLY 508 HA3 -0.13 0.13 0.37 -0.51 4.01 3.87 1cy6A1 TYR 509 H 0.00 0.10 -0.01 -0.55 8.29 7.83 1cy6A1 TYR 509 HA 0.05 0.10 0.81 -0.75 4.56 4.76 1cy6A1 TYR 509 HB2 0.05 0.10 0.09 -0.04 3.06 3.25 1cy6A1 TYR 509 HB3 0.04 -0.02 0.05 -0.04 2.98 3.01 1cy6A1 TYR 509 HD2 0.04 -0.06 -0.18 -0.04 7.15 6.92 1cy6A1 TYR 509 HE2 0.04 0.03 -0.07 -0.04 6.85 6.80 1cy6A1 VAL 510 H 0.17 0.23 0.27 -0.55 8.24 8.36 1cy6A1 VAL 510 HA 0.19 0.16 0.89 -0.75 4.13 4.62 1cy6A1 VAL 510 HB 0.32 0.04 0.05 -0.04 2.12 2.49 1cy6A1 VAL 510 HG13 0.11 -0.05 -0.25 -0.04 0.97 0.73 1cy6A1 VAL 510 HG23 0.21 0.03 -0.13 -0.04 0.95 1.02 1cy6A1 ARG 511 H 0.25 0.56 0.35 -0.55 8.46 9.07 1cy6A1 ARG 511 HA 0.11 0.21 0.93 -0.75 4.34 4.84 1cy6A1 ARG 511 HB2 0.05 -0.00 0.06 -0.04 1.90 1.97 1cy6A1 ARG 511 HB3 0.08 0.01 -0.14 -0.04 1.80 1.71 1cy6A1 ARG 511 HG2 0.12 0.01 -0.09 -0.04 1.67 1.66 1cy6A1 ARG 511 HG3 0.13 -0.03 -0.32 -0.04 1.67 1.42 1cy6A1 ARG 511 HD2 -0.01 0.01 -0.15 -0.04 3.22 3.03 1cy6A1 ARG 511 HD3 0.00 0.01 -0.10 -0.04 3.22 3.09 1cy6A1 VAL 512 H -0.00 0.20 0.13 -0.55 8.24 8.02 1cy6A1 VAL 512 HA -0.09 0.48 1.05 -0.75 4.13 4.81 1cy6A1 VAL 512 HB -0.11 -0.00 0.16 -0.04 2.12 2.12 1cy6A1 VAL 512 HG13 -0.16 -0.03 -0.20 -0.04 0.97 0.55 1cy6A1 VAL 512 HG23 -0.61 -0.01 -0.22 -0.04 0.95 0.08 1cy6A1 GLU 513 H 0.16 0.57 0.15 -0.55 8.60 8.94 1cy6A1 GLU 513 HA -0.00 0.12 0.94 -0.75 4.29 4.59 1cy6A1 GLU 513 HB2 -0.05 0.02 0.04 -0.04 2.09 2.05 1cy6A1 GLU 513 HB3 -0.05 -0.01 -0.14 -0.04 1.99 1.75 1cy6A1 GLU 513 HG2 -0.26 0.01 -0.03 -0.04 2.34 2.01 1cy6A1 GLU 513 HG3 0.02 0.04 -0.01 -0.04 2.34 2.34 1cy6A1 ASN 514 H 0.01 0.15 0.13 -0.55 8.53 8.28 1cy6A1 ASN 514 HA 0.02 0.04 0.32 -0.75 4.76 4.38 1cy6A1 ASN 514 HB2 0.04 -0.05 -0.30 -0.04 2.88 2.53 1cy6A1 ASN 514 HB3 0.09 0.15 0.30 -0.04 2.79 3.28 1cy6A1 ASN 514 HD21 0.02 0.01 0.03 -0.04 7.03 7.05 1cy6A1 ASN 514 HD22 0.04 0.03 0.08 -0.04 7.74 7.86 1cy6A1 ARG 515 H -0.01 0.01 -0.15 -0.55 8.46 7.76 1cy6A1 ARG 515 HA -0.05 -0.07 0.19 -0.75 4.34 3.66 1cy6A1 ARG 515 HB2 0.00 0.22 -0.07 -0.04 1.90 2.02 1cy6A1 ARG 515 HB3 -0.01 -0.07 0.16 -0.04 1.80 1.84 1cy6A1 ARG 515 HG2 -0.01 -0.06 0.01 -0.04 1.67 1.57 1cy6A1 ARG 515 HG3 0.00 0.00 -0.18 -0.04 1.67 1.46 1cy6A1 ARG 515 HD2 0.02 0.04 -0.01 -0.04 3.22 3.23 1cy6A1 ARG 515 HD3 0.01 0.07 -0.02 -0.04 3.22 3.24 1cy6A1 ARG 516 H 0.01 0.15 -0.49 -0.55 8.46 7.58 1cy6A1 ARG 516 HA -0.02 0.14 0.80 -0.75 4.34 4.51 1cy6A1 ARG 516 HB2 0.07 0.07 -0.05 -0.04 1.90 1.95 1cy6A1 ARG 516 HB3 -0.07 0.03 0.05 -0.04 1.80 1.77 1cy6A1 ARG 516 HG2 0.02 0.19 -0.36 -0.04 1.67 1.47 1cy6A1 ARG 516 HG3 0.00 -0.05 -0.01 -0.04 1.67 1.57 1cy6A1 ARG 516 HD2 0.01 0.22 0.07 -0.04 3.22 3.47 1cy6A1 ARG 516 HD3 0.01 0.07 0.38 -0.04 3.22 3.64 1cy6A1 PHE 517 H 0.14 0.59 0.08 -0.55 8.34 8.60 1cy6A1 PHE 517 HA 0.08 0.21 0.79 -0.75 4.62 4.95 1cy6A1 PHE 517 HB2 0.09 -0.03 -0.08 -0.04 3.15 3.09 1cy6A1 PHE 517 HB3 0.06 0.03 -0.17 -0.04 3.06 2.94 1cy6A1 PHE 517 HD2 0.07 0.00 -0.34 -0.04 7.28 6.97 1cy6A1 PHE 517 HE2 0.02 -0.03 -0.33 -0.04 7.38 7.00 1cy6A1 PHE 517 HZ 0.01 0.03 -0.14 -0.04 7.32 7.18 1cy6A1 TYR 518 H 0.37 0.53 0.37 -0.55 8.29 9.01 1cy6A1 TYR 518 HA 0.12 0.19 0.90 -0.75 4.56 5.02 1cy6A1 TYR 518 HB2 0.08 -0.04 0.06 -0.04 3.06 3.12 1cy6A1 TYR 518 HB3 0.07 0.05 -0.08 -0.04 2.98 2.98 1cy6A1 TYR 518 HD2 0.04 -0.01 -0.08 -0.04 7.15 7.06 1cy6A1 TYR 518 HE2 0.02 0.10 -0.03 -0.04 6.85 6.89 1cy6A1 ALA 519 H 0.17 0.21 0.14 -0.55 8.40 8.37 1cy6A1 ALA 519 HA 0.15 0.12 0.81 -0.75 4.34 4.67 1cy6A1 ALA 519 HB3 0.10 0.03 0.04 -0.04 1.41 1.53 1cy6A1 GLU 520 H 0.15 0.56 0.24 -0.55 8.60 9.01 1cy6A1 GLU 520 HA 0.10 0.12 0.51 -0.75 4.29 4.26 1cy6A1 GLU 520 HB2 0.11 0.00 -0.11 -0.04 2.09 2.05 1cy6A1 GLU 520 HB3 0.07 -0.04 0.04 -0.04 1.99 2.01 1cy6A1 GLU 520 HG2 0.13 -0.01 -0.29 -0.04 2.34 2.12 1cy6A1 GLU 520 HG3 0.11 -0.11 -0.84 -0.04 2.34 1.46 1cy6A1 LYS 521 H 0.07 0.17 0.15 -0.55 8.42 8.25 1cy6A1 LYS 521 HA 0.07 0.13 0.42 -0.75 4.32 4.18 1cy6A1 LYS 521 HB2 0.05 0.00 0.20 -0.04 1.87 2.08 1cy6A1 LYS 521 HB3 0.05 0.04 0.06 -0.04 1.79 1.90 1cy6A1 LYS 521 HG2 0.04 0.04 0.01 -0.04 1.46 1.52 1cy6A1 LYS 521 HG3 0.05 0.01 0.05 -0.04 1.46 1.52 1cy6A1 LYS 521 HD2 0.05 0.01 0.02 -0.04 1.69 1.73 1cy6A1 LYS 521 HD3 0.04 -0.01 0.04 -0.04 1.68 1.71 1cy6A1 LYS 521 HE2 0.04 0.02 -0.00 -0.04 2.99 3.00 1cy6A1 LYS 521 HE3 0.04 0.02 0.00 -0.04 2.99 3.01 1cy6A1 MET 522 H 0.08 0.13 -0.01 -0.55 8.47 8.13 1cy6A1 MET 522 HA 0.10 0.06 0.35 -0.75 4.52 4.27 1cy6A1 MET 522 HB2 0.07 -0.02 0.13 -0.04 2.15 2.29 1cy6A1 MET 522 HB3 0.11 0.25 0.10 -0.04 2.03 2.45 1cy6A1 MET 522 HG2 0.06 0.07 -0.00 -0.04 2.63 2.71 1cy6A1 MET 522 HG3 0.23 -0.01 -0.10 -0.04 2.56 2.64 1cy6A1 MET 522 HE3 0.06 0.01 -0.01 -0.04 2.10 2.11 1cy6A1 GLY 523 H 0.17 0.13 -0.52 -0.55 8.43 7.66 1cy6A1 GLY 523 HA2 0.22 -0.01 0.47 -0.51 4.01 4.18 1cy6A1 GLY 523 HA3 0.17 0.18 0.38 -0.51 4.01 4.22 1cy6A1 GLU 524 H 0.08 0.49 -0.03 -0.55 8.60 8.60 1cy6A1 GLU 524 HA 0.04 0.03 0.52 -0.75 4.29 4.12 1cy6A1 GLU 524 HB2 0.05 0.08 0.13 -0.04 2.09 2.32 1cy6A1 GLU 524 HB3 0.04 -0.02 0.06 -0.04 1.99 2.03 1cy6A1 GLU 524 HG2 0.06 -0.07 0.01 -0.04 2.34 2.30 1cy6A1 GLU 524 HG3 0.07 0.20 0.04 -0.04 2.34 2.61 1cy6A1 ILE 525 H 0.07 0.49 -0.11 -0.55 8.25 8.16 1cy6A1 ILE 525 HA 0.04 0.04 0.35 -0.75 4.18 3.87 1cy6A1 ILE 525 HB 0.08 0.00 0.14 -0.04 1.89 2.07 1cy6A1 ILE 525 HG12 0.05 0.02 -0.02 -0.04 1.49 1.50 1cy6A1 ILE 525 HG13 0.05 0.01 -0.06 -0.04 1.21 1.17 1cy6A1 ILE 525 HG23 0.07 0.01 -0.14 -0.04 0.93 0.82 1cy6A1 ILE 525 HD13 0.05 -0.02 -0.11 -0.04 0.88 0.76 1cy6A1 VAL 526 H 0.07 0.63 -0.05 -0.55 8.24 8.34 1cy6A1 VAL 526 HA 0.04 0.09 0.54 -0.75 4.13 4.04 1cy6A1 VAL 526 HB -0.10 0.05 0.08 -0.04 2.12 2.11 1cy6A1 VAL 526 HG13 -0.07 -0.02 -0.09 -0.04 0.97 0.75 1cy6A1 VAL 526 HG23 0.21 0.03 0.01 -0.04 0.95 1.16 1cy6A1 THR 527 H -0.02 0.48 -0.23 -0.55 8.28 7.96 1cy6A1 THR 527 HA -0.06 -0.01 0.41 -0.75 4.39 3.98 1cy6A1 THR 527 HB -0.01 0.12 0.18 -0.04 4.32 4.57 1cy6A1 THR 527 HG23 -0.01 -0.02 -0.09 -0.04 1.22 1.06 1cy6A1 ASP 528 H 0.01 0.50 -0.23 -0.55 8.40 8.14 1cy6A1 ASP 528 HA 0.01 0.05 0.48 -0.75 4.63 4.41 1cy6A1 ASP 528 HB2 0.02 0.11 0.09 -0.04 2.71 2.89 1cy6A1 ASP 528 HB3 0.02 -0.02 -0.04 -0.04 2.70 2.62 1cy6A1 ARG 529 H 0.03 0.34 -0.20 -0.55 8.46 8.07 1cy6A1 ARG 529 HA 0.03 0.04 0.38 -0.75 4.34 4.05 1cy6A1 ARG 529 HB2 0.05 0.03 0.14 -0.04 1.90 2.08 1cy6A1 ARG 529 HB3 0.06 -0.02 0.00 -0.04 1.80 1.80 1cy6A1 ARG 529 HG2 0.04 0.43 0.20 -0.04 1.67 2.29 1cy6A1 ARG 529 HG3 0.05 -0.03 0.00 -0.04 1.67 1.66 1cy6A1 ARG 529 HD2 0.03 -0.04 0.05 -0.04 3.22 3.22 1cy6A1 ARG 529 HD3 0.03 -0.11 -0.04 -0.04 3.22 3.06 1cy6A1 LEU 530 H 0.04 0.63 -0.12 -0.55 8.37 8.37 1cy6A1 LEU 530 HA 0.27 0.01 0.32 -0.75 4.35 4.20 1cy6A1 LEU 530 HB2 -0.01 0.09 0.08 -0.04 1.64 1.76 1cy6A1 LEU 530 HB3 0.02 -0.05 -0.07 -0.04 1.64 1.49 1cy6A1 LEU 530 HG -0.02 0.15 0.02 -0.04 1.64 1.75 1cy6A1 LEU 530 HD13 -0.12 -0.03 -0.08 -0.04 0.93 0.66 1cy6A1 LEU 530 HD23 -0.11 -0.02 -0.08 -0.04 0.89 0.63 1cy6A1 GLU 531 H 0.02 0.49 -0.37 -0.55 8.60 8.20 1cy6A1 GLU 531 HA 0.01 -0.04 0.27 -0.75 4.29 3.77 1cy6A1 GLU 531 HB2 0.00 0.45 0.27 -0.04 2.09 2.77 1cy6A1 GLU 531 HB3 0.00 0.01 -0.02 -0.04 1.99 1.94 1cy6A1 GLU 531 HG2 -0.02 -0.06 0.04 -0.04 2.34 2.25 1cy6A1 GLU 531 HG3 -0.04 -0.05 0.02 -0.04 2.34 2.24 1cy6A1 GLU 532 H 0.03 0.42 -0.45 -0.55 8.60 8.05 1cy6A1 GLU 532 HA -0.01 0.10 0.77 -0.75 4.29 4.40 1cy6A1 GLU 532 HB2 -0.00 0.06 0.08 -0.04 2.09 2.18 1cy6A1 GLU 532 HB3 -0.02 -0.04 0.06 -0.04 1.99 1.95 1cy6A1 GLU 532 HG2 -0.00 -0.09 -0.07 -0.04 2.34 2.14 1cy6A1 GLU 532 HG3 0.01 0.50 0.07 -0.04 2.34 2.88 1cy6A1 ASN 533 H 0.02 0.36 -0.05 -0.55 8.53 8.32 1cy6A1 ASN 533 HA -0.19 0.25 1.00 -0.75 4.76 5.06 1cy6A1 ASN 533 HB2 -0.13 0.01 0.01 -0.04 2.88 2.73 1cy6A1 ASN 533 HB3 -0.43 -0.03 0.12 -0.04 2.79 2.40 1cy6A1 ASN 533 HD21 -0.08 0.12 -0.42 -0.04 7.03 6.61 1cy6A1 ASN 533 HD22 -0.15 0.03 -0.10 -0.04 7.74 7.48 1cy6A1 PHE 534 H 0.08 0.53 -0.13 -0.55 8.34 8.26 1cy6A1 PHE 534 HA -0.06 0.10 0.66 -0.75 4.62 4.57 1cy6A1 PHE 534 HB2 -0.01 0.12 0.10 -0.04 3.15 3.31 1cy6A1 PHE 534 HB3 0.01 -0.19 0.15 -0.04 3.06 2.99 1cy6A1 PHE 534 HD2 -0.03 -0.05 -0.07 -0.04 7.28 7.09 1cy6A1 PHE 534 HE2 -0.19 -0.00 -0.08 -0.04 7.38 7.07 1cy6A1 PHE 534 HZ -0.09 0.03 -0.03 -0.04 7.32 7.19 1cy6A1 ARG 535 H -0.03 0.26 -0.14 -0.55 8.46 7.99 1cy6A1 ARG 535 HA 0.01 0.16 0.34 -0.75 4.34 4.10 1cy6A1 ARG 535 HB2 -0.02 0.17 0.07 -0.04 1.90 2.07 1cy6A1 ARG 535 HB3 -0.03 -0.08 0.06 -0.04 1.80 1.71 1cy6A1 ARG 535 HG2 0.03 -0.09 -0.14 -0.04 1.67 1.43 1cy6A1 ARG 535 HG3 0.00 0.09 0.05 -0.04 1.67 1.77 1cy6A1 ARG 535 HD2 -0.00 0.08 0.01 -0.04 3.22 3.27 1cy6A1 ARG 535 HD3 0.01 -0.04 -0.03 -0.04 3.22 3.12 1cy6A1 GLU 536 H -0.05 0.13 -0.15 -0.55 8.60 7.99 1cy6A1 GLU 536 HA -0.16 0.03 0.37 -0.75 4.29 3.78 1cy6A1 GLU 536 HB2 -0.11 0.01 0.01 -0.04 2.09 1.95 1cy6A1 GLU 536 HB3 -0.42 0.01 -0.02 -0.04 1.99 1.52 1cy6A1 GLU 536 HG2 -0.13 -0.04 0.05 -0.04 2.34 2.18 1cy6A1 GLU 536 HG3 -0.20 0.07 0.01 -0.04 2.34 2.18 1cy6A1 LEU 537 H 0.08 0.10 -0.29 -0.55 8.37 7.71 1cy6A1 LEU 537 HA 0.07 0.04 0.39 -0.75 4.35 4.09 1cy6A1 LEU 537 HB2 0.19 -0.05 0.06 -0.04 1.64 1.79 1cy6A1 LEU 537 HB3 0.13 0.15 0.05 -0.04 1.64 1.93 1cy6A1 LEU 537 HG 0.06 -0.02 0.07 -0.04 1.64 1.72 1cy6A1 LEU 537 HD13 0.07 -0.02 -0.03 -0.04 0.93 0.91 1cy6A1 LEU 537 HD23 -0.04 0.00 -0.21 -0.04 0.89 0.60 1cy6A1 MET 538 H 0.04 0.41 -0.31 -0.55 8.47 8.07 1cy6A1 MET 538 HA -0.03 0.07 0.60 -0.75 4.52 4.40 1cy6A1 MET 538 HB2 -0.02 0.10 -0.00 -0.04 2.15 2.18 1cy6A1 MET 538 HB3 -0.08 -0.08 0.03 -0.04 2.03 1.86 1cy6A1 MET 538 HG2 0.04 0.11 -0.19 -0.04 2.63 2.55 1cy6A1 MET 538 HG3 0.01 -0.03 -0.45 -0.04 2.56 2.05 1cy6A1 MET 538 HE3 -0.06 0.01 -0.03 -0.04 2.10 1.98 1cy6A1 ASN 539 H 0.04 0.33 -0.26 -0.55 8.53 8.10 1cy6A1 ASN 539 HA -0.11 0.02 0.50 -0.75 4.76 4.42 1cy6A1 ASN 539 HB2 0.18 0.18 0.13 -0.04 2.88 3.33 1cy6A1 ASN 539 HB3 0.39 0.04 0.17 -0.04 2.79 3.35 1cy6A1 ASN 539 HD21 0.05 -0.02 0.04 -0.04 7.03 7.06 1cy6A1 ASN 539 HD22 0.09 0.12 0.03 -0.04 7.74 7.94 1cy6A1 TYR 540 H -0.15 0.16 0.22 -0.55 8.29 7.96 1cy6A1 TYR 540 HA 0.03 0.11 0.38 -0.75 4.56 4.33 1cy6A1 TYR 540 HB2 0.01 -0.05 0.15 -0.04 3.06 3.13 1cy6A1 TYR 540 HB3 0.01 0.05 0.03 -0.04 2.98 3.03 1cy6A1 TYR 540 HD2 0.01 -0.02 0.03 -0.04 7.15 7.13 1cy6A1 TYR 540 HE2 0.01 0.04 0.02 -0.04 6.85 6.88 1cy6A1 ASP 541 H 0.09 0.09 -0.03 -0.55 8.40 7.99 1cy6A1 ASP 541 HA 0.01 0.15 0.47 -0.75 4.63 4.50 1cy6A1 ASP 541 HB2 -0.18 -0.05 0.10 -0.04 2.71 2.55 1cy6A1 ASP 541 HB3 -0.23 0.03 -0.03 -0.04 2.70 2.44 1cy6A1 PHE 542 H 0.08 0.10 -0.23 -0.55 8.34 7.74 1cy6A1 PHE 542 HA 0.03 0.01 0.38 -0.75 4.62 4.28 1cy6A1 PHE 542 HB2 0.02 0.16 0.12 -0.04 3.15 3.41 1cy6A1 PHE 542 HB3 0.04 0.03 -0.04 -0.04 3.06 3.05 1cy6A1 PHE 542 HD2 0.02 -0.00 0.04 -0.04 7.28 7.30 1cy6A1 PHE 542 HE2 0.03 0.01 -0.01 -0.04 7.38 7.36 1cy6A1 PHE 542 HZ 0.02 0.02 -0.01 -0.04 7.32 7.31 1cy6A1 THR 543 H 0.16 0.47 -0.18 -0.55 8.28 8.18 1cy6A1 THR 543 HA 0.09 0.05 0.59 -0.75 4.39 4.37 1cy6A1 THR 543 HB 0.05 -0.05 0.11 -0.04 4.32 4.40 1cy6A1 THR 543 HG23 0.10 0.05 0.02 -0.04 1.22 1.36 1cy6A1 ALA 544 H 0.08 0.39 -0.27 -0.55 8.40 8.05 1cy6A1 ALA 544 HA 0.02 0.21 0.61 -0.75 4.34 4.42 1cy6A1 ALA 544 HB3 0.02 0.04 0.15 -0.04 1.41 1.58 1cy6A1 GLN 545 H 0.05 0.45 -0.07 -0.55 8.47 8.35 1cy6A1 GLN 545 HA 0.02 0.03 0.50 -0.75 4.36 4.16 1cy6A1 GLN 545 HB2 -0.01 0.02 0.07 -0.04 2.15 2.19 1cy6A1 GLN 545 HB3 0.09 0.10 0.12 -0.04 2.02 2.29 1cy6A1 GLN 545 HG2 0.09 -0.00 -0.02 -0.04 2.40 2.42 1cy6A1 GLN 545 HG3 0.10 -0.02 -0.16 -0.04 2.39 2.26 1cy6A1 GLN 545 HE21 0.03 0.01 -0.02 -0.04 6.97 6.95 1cy6A1 GLN 545 HE22 0.06 -0.01 -0.01 -0.04 7.69 7.68 1cy6A1 MET 546 H 0.06 0.34 -0.50 -0.55 8.47 7.83 1cy6A1 MET 546 HA 0.04 0.01 0.47 -0.75 4.52 4.28 1cy6A1 MET 546 HB2 0.04 0.08 0.13 -0.04 2.15 2.35 1cy6A1 MET 546 HB3 0.00 0.23 0.13 -0.04 2.03 2.35 1cy6A1 MET 546 HG2 -0.10 -0.01 -0.02 -0.04 2.63 2.47 1cy6A1 MET 546 HG3 -0.07 -0.05 -0.16 -0.04 2.56 2.24 1cy6A1 MET 546 HE3 0.00 0.02 -0.01 -0.04 2.10 2.06 1cy6A1 GLU 547 H 0.00 0.43 -0.28 -0.55 8.60 8.20 1cy6A1 GLU 547 HA -0.04 -0.04 0.45 -0.75 4.29 3.90 1cy6A1 GLU 547 HB2 -0.01 0.29 0.24 -0.04 2.09 2.57 1cy6A1 GLU 547 HB3 -0.03 -0.12 0.06 -0.04 1.99 1.86 1cy6A1 GLU 547 HG2 -0.01 0.13 0.21 -0.04 2.34 2.62 1cy6A1 GLU 547 HG3 -0.02 0.22 0.13 -0.04 2.34 2.63 1cy6A1 ASN 548 H 0.00 0.38 -0.19 -0.55 8.53 8.17 1cy6A1 ASN 548 HA -0.01 0.01 0.45 -0.75 4.76 4.46 1cy6A1 ASN 548 HB2 0.01 0.15 0.13 -0.04 2.88 3.13 1cy6A1 ASN 548 HB3 0.00 -0.04 0.03 -0.04 2.79 2.74 1cy6A1 ASN 548 HD21 -0.00 0.01 -0.00 -0.04 7.03 7.00 1cy6A1 ASN 548 HD22 0.00 -0.02 0.03 -0.04 7.74 7.70 1cy6A1 SER 549 H 0.01 0.46 -0.31 -0.55 8.46 8.08 1cy6A1 SER 549 HA 0.01 0.01 0.38 -0.75 4.49 4.14 1cy6A1 SER 549 HB2 0.01 0.17 0.20 -0.04 3.95 4.29 1cy6A1 SER 549 HB3 0.02 -0.10 -0.01 -0.04 3.93 3.80 1cy6A1 LEU 550 H -0.03 0.57 -0.15 -0.55 8.37 8.22 1cy6A1 LEU 550 HA -0.05 -0.03 0.44 -0.75 4.35 3.96 1cy6A1 LEU 550 HB2 -0.06 0.16 0.16 -0.04 1.64 1.86 1cy6A1 LEU 550 HB3 -0.08 -0.09 0.05 -0.04 1.64 1.48 1cy6A1 LEU 550 HG -0.07 0.25 0.05 -0.04 1.64 1.84 1cy6A1 LEU 550 HD13 -0.10 -0.02 -0.01 -0.04 0.93 0.77 1cy6A1 LEU 550 HD23 -0.09 -0.01 -0.04 -0.04 0.89 0.72 1cy6A1 ASP 551 H -0.03 0.52 -0.21 -0.55 8.40 8.13 1cy6A1 ASP 551 HA -0.04 -0.03 0.46 -0.75 4.63 4.27 1cy6A1 ASP 551 HB2 -0.02 0.17 0.17 -0.04 2.71 3.00 1cy6A1 ASP 551 HB3 -0.02 -0.04 -0.00 -0.04 2.70 2.60 1cy6A1 GLN 552 H -0.02 0.59 -0.19 -0.55 8.47 8.31 1cy6A1 GLN 552 HA -0.01 0.03 0.36 -0.75 4.36 3.99 1cy6A1 GLN 552 HB2 -0.01 0.17 0.12 -0.04 2.15 2.40 1cy6A1 GLN 552 HB3 -0.01 -0.04 -0.19 -0.04 2.02 1.74 1cy6A1 GLN 552 HG2 -0.00 -0.02 -0.01 -0.04 2.40 2.33 1cy6A1 GLN 552 HG3 -0.00 0.01 0.01 -0.04 2.39 2.36 1cy6A1 GLN 552 HE21 0.01 -0.03 -0.10 -0.04 6.97 6.80 1cy6A1 GLN 552 HE22 0.00 -0.01 -0.07 -0.04 7.69 7.57 1cy6A1 VAL 553 H -0.03 0.40 -0.36 -0.55 8.24 7.70 1cy6A1 VAL 553 HA -0.03 0.16 0.47 -0.75 4.13 3.97 1cy6A1 VAL 553 HB -0.05 0.15 0.12 -0.04 2.12 2.30 1cy6A1 VAL 553 HG13 -0.05 -0.00 -0.16 -0.04 0.97 0.72 1cy6A1 VAL 553 HG23 0.01 0.03 -0.22 -0.04 0.95 0.72 1cy6A1 ALA 554 H -0.05 0.41 -0.14 -0.55 8.40 8.07 1cy6A1 ALA 554 HA -0.08 0.08 0.27 -0.75 4.34 3.85 1cy6A1 ALA 554 HB3 -0.06 0.02 0.12 -0.04 1.41 1.45 1cy6A1 ASN 555 H -0.01 0.33 -0.36 -0.55 8.53 7.95 1cy6A1 ASN 555 HA 0.01 0.15 0.77 -0.75 4.76 4.93 1cy6A1 ASN 555 HB2 0.00 0.05 0.06 -0.04 2.88 2.95 1cy6A1 ASN 555 HB3 0.01 -0.01 0.14 -0.04 2.79 2.89 1cy6A1 ASN 555 HD21 -0.00 -0.06 -0.04 -0.04 7.03 6.88 1cy6A1 ASN 555 HD22 -0.01 0.06 -0.10 -0.04 7.74 7.65 1cy6A1 HIS 556 H 0.03 0.29 -0.46 -0.55 8.41 7.72 1cy6A1 HIS 556 HA -0.02 0.04 0.36 -0.75 4.63 4.25 1cy6A1 HIS 556 HB2 -0.03 -0.07 -0.25 -0.04 3.26 2.87 1cy6A1 HIS 556 HB3 -0.02 0.18 0.16 -0.04 3.20 3.48 1cy6A1 HIS 556 HD2 -0.01 0.04 0.12 -0.04 6.97 7.07 1cy6A1 HIS 556 HE1 -0.00 -0.04 0.02 -0.04 7.75 7.68 1cy6A1 GLU 557 H -0.02 0.69 -0.03 -0.55 8.60 8.70 1cy6A1 GLU 557 HA -0.04 0.17 0.83 -0.75 4.29 4.50 1cy6A1 GLU 557 HB2 -0.01 -0.04 0.07 -0.04 2.09 2.07 1cy6A1 GLU 557 HB3 -0.01 -0.05 0.15 -0.04 1.99 2.04 1cy6A1 GLU 557 HG2 0.02 0.00 -0.09 -0.04 2.34 2.24 1cy6A1 GLU 557 HG3 0.03 0.15 -0.41 -0.04 2.34 2.06 1cy6A1 ALA 558 H -0.10 0.28 -0.15 -0.55 8.40 7.88 1cy6A1 ALA 558 HA -0.05 0.07 0.43 -0.75 4.34 4.04 1cy6A1 ALA 558 HB3 -0.02 0.03 -0.25 -0.04 1.41 1.13 1cy6A1 GLU 559 H -0.02 0.17 0.09 -0.55 8.60 8.30 1cy6A1 GLU 559 HA 0.05 0.19 0.76 -0.75 4.29 4.53 1cy6A1 GLU 559 HB2 -0.02 0.11 0.04 -0.04 2.09 2.18 1cy6A1 GLU 559 HB3 -0.01 -0.11 0.11 -0.04 1.99 1.93 1cy6A1 GLU 559 HG2 0.11 0.06 0.08 -0.04 2.34 2.55 1cy6A1 GLU 559 HG3 0.02 0.10 0.01 -0.04 2.34 2.44 1cy6A1 TRP 560 H 0.44 0.23 0.15 -0.55 7.97 8.24 1cy6A1 TRP 560 HA -0.13 0.11 0.23 -0.75 4.62 4.07 1cy6A1 TRP 560 HB2 -0.21 0.05 0.03 -0.04 3.23 3.06 1cy6A1 TRP 560 HB3 -0.16 0.05 0.04 -0.04 3.23 3.12 1cy6A1 TRP 560 HD1 -0.09 -0.06 0.14 -0.04 7.22 7.17 1cy6A1 TRP 560 HE1 -0.04 0.05 0.03 -0.04 10.20 10.20 1cy6A1 TRP 560 HE3 -0.28 -0.03 -0.10 -0.04 7.59 7.13 1cy6A1 TRP 560 HZ2 0.04 0.04 -0.01 -0.04 7.44 7.47 1cy6A1 TRP 560 HZ3 -0.30 0.02 -0.14 -0.04 7.13 6.67 1cy6A1 TRP 560 HH2 0.25 0.07 -0.02 -0.04 7.19 7.45 1cy6A1 LYS 561 H -0.65 0.13 -0.09 -0.55 8.42 7.26 1cy6A1 LYS 561 HA -0.88 0.10 0.38 -0.75 4.32 3.17 1cy6A1 LYS 561 HB2 -0.34 -0.02 0.04 -0.04 1.87 1.51 1cy6A1 LYS 561 HB3 -0.26 0.06 -0.04 -0.04 1.79 1.52 1cy6A1 LYS 561 HG2 -1.68 0.02 -0.04 -0.04 1.46 -0.28 1cy6A1 LYS 561 HG3 -1.40 -0.06 0.03 -0.04 1.46 -0.01 1cy6A1 LYS 561 HD2 -0.17 -0.03 -0.01 -0.04 1.69 1.44 1cy6A1 LYS 561 HD3 -0.12 0.11 -0.04 -0.04 1.68 1.58 1cy6A1 LYS 561 HE2 -0.62 -0.01 -0.01 -0.04 2.99 2.30 1cy6A1 LYS 561 HE3 0.01 -0.08 -0.00 -0.04 2.99 2.88 1cy6A1 ALA 562 H -0.12 0.11 -0.23 -0.55 8.40 7.61 1cy6A1 ALA 562 HA -0.01 0.09 0.43 -0.75 4.34 4.09 1cy6A1 ALA 562 HB3 -0.02 0.04 0.07 -0.04 1.41 1.45 1cy6A1 VAL 563 H -0.07 0.36 -0.31 -0.55 8.24 7.68 1cy6A1 VAL 563 HA 0.06 0.05 0.45 -0.75 4.13 3.93 1cy6A1 VAL 563 HB -0.03 0.13 0.12 -0.04 2.12 2.31 1cy6A1 VAL 563 HG13 -0.01 -0.01 -0.16 -0.04 0.97 0.75 1cy6A1 VAL 563 HG23 0.01 0.02 -0.06 -0.04 0.95 0.88 1cy6A1 LEU 564 H -0.30 0.55 -0.00 -0.55 8.37 8.07 1cy6A1 LEU 564 HA -0.17 0.01 0.41 -0.75 4.35 3.84 1cy6A1 LEU 564 HB2 -1.40 0.08 0.09 -0.04 1.64 0.38 1cy6A1 LEU 564 HB3 -2.25 -0.03 -0.01 -0.04 1.64 -0.69 1cy6A1 LEU 564 HG -0.45 0.10 0.04 -0.04 1.64 1.28 1cy6A1 LEU 564 HD13 -0.96 -0.02 -0.09 -0.04 0.93 -0.18 1cy6A1 LEU 564 HD23 -0.40 0.00 0.03 -0.04 0.89 0.48 1cy6A1 ASP 565 H -0.03 0.50 -0.33 -0.55 8.40 7.99 1cy6A1 ASP 565 HA 0.46 0.04 0.41 -0.75 4.63 4.79 1cy6A1 ASP 565 HB2 0.11 0.12 0.20 -0.04 2.71 3.10 1cy6A1 ASP 565 HB3 0.17 -0.03 0.01 -0.04 2.70 2.81 1cy6A1 HIS 566 H 0.20 0.51 -0.09 -0.55 8.41 8.48 1cy6A1 HIS 566 HA 0.06 0.02 0.43 -0.75 4.63 4.39 1cy6A1 HIS 566 HB2 0.04 0.03 0.14 -0.04 3.26 3.44 1cy6A1 HIS 566 HB3 0.07 0.09 0.13 -0.04 3.20 3.44 1cy6A1 HIS 566 HD2 0.02 -0.03 0.08 -0.04 6.97 7.00 1cy6A1 HIS 566 HE1 0.07 0.00 -0.03 -0.04 7.75 7.74 1cy6A1 PHE 567 H 0.22 0.53 -0.14 -0.55 8.34 8.40 1cy6A1 PHE 567 HA -0.13 0.03 0.47 -0.75 4.62 4.24 1cy6A1 PHE 567 HB2 -0.05 -0.02 0.08 -0.04 3.15 3.12 1cy6A1 PHE 567 HB3 -0.04 0.10 0.16 -0.04 3.06 3.24 1cy6A1 PHE 567 HD2 0.00 0.04 -0.00 -0.04 7.28 7.28 1cy6A1 PHE 567 HE2 -0.01 -0.01 -0.03 -0.04 7.38 7.29 1cy6A1 PHE 567 HZ -0.40 -0.00 -0.01 -0.04 7.32 6.87 1cy6A1 PHE 568 H 0.25 0.61 -0.19 -0.55 8.34 8.47 1cy6A1 PHE 568 HA -0.47 -0.01 0.46 -0.75 4.62 3.84 1cy6A1 PHE 568 HB2 0.45 0.07 0.14 -0.04 3.15 3.77 1cy6A1 PHE 568 HB3 0.15 0.11 0.13 -0.04 3.06 3.41 1cy6A1 PHE 568 HD2 -0.09 0.01 -0.03 -0.04 7.28 7.13 1cy6A1 PHE 568 HE2 -0.31 0.03 -0.06 -0.04 7.38 6.99 1cy6A1 PHE 568 HZ -0.57 0.04 -0.04 -0.04 7.32 6.71 1cy6A1 SER 569 H 0.07 0.55 -0.10 -0.55 8.46 8.43 1cy6A1 SER 569 HA -0.11 0.03 0.44 -0.75 4.49 4.10 1cy6A1 SER 569 HB2 0.08 0.02 0.11 -0.04 3.95 4.12 1cy6A1 SER 569 HB3 0.09 0.09 0.20 -0.04 3.93 4.26 1cy6A1 ASP 570 H -0.16 0.45 -0.18 -0.55 8.40 7.96 1cy6A1 ASP 570 HA -0.14 0.04 0.48 -0.75 4.63 4.27 1cy6A1 ASP 570 HB2 -0.21 0.12 0.14 -0.04 2.71 2.72 1cy6A1 ASP 570 HB3 -0.17 -0.08 0.00 -0.04 2.70 2.41 1cy6A1 PHE 571 H -0.28 0.44 -0.21 -0.55 8.34 7.74 1cy6A1 PHE 571 HA -0.18 0.01 0.48 -0.75 4.62 4.17 1cy6A1 PHE 571 HB2 -0.76 0.03 0.10 -0.04 3.15 2.48 1cy6A1 PHE 571 HB3 -0.67 0.04 0.18 -0.04 3.06 2.57 1cy6A1 PHE 571 HD2 -0.12 0.00 -0.05 -0.04 7.28 7.07 1cy6A1 PHE 571 HE2 0.01 0.01 -0.09 -0.04 7.38 7.26 1cy6A1 PHE 571 HZ 0.04 0.03 -0.18 -0.04 7.32 7.16 1cy6A1 THR 572 H -0.50 0.71 -0.02 -0.55 8.28 7.92 1cy6A1 THR 572 HA -0.55 0.04 0.46 -0.75 4.39 3.58 1cy6A1 THR 572 HB -0.24 -0.02 0.05 -0.04 4.32 4.07 1cy6A1 THR 572 HG23 -0.93 0.03 0.04 -0.04 1.22 0.32 1cy6A1 GLN 573 H -0.25 0.37 -0.26 -0.55 8.47 7.79 1cy6A1 GLN 573 HA -0.16 0.03 0.45 -0.75 4.36 3.93 1cy6A1 GLN 573 HB2 -0.12 0.06 0.15 -0.04 2.15 2.20 1cy6A1 GLN 573 HB3 -0.15 0.07 0.13 -0.04 2.02 2.02 1cy6A1 GLN 573 HG2 -0.13 0.01 -0.13 -0.04 2.40 2.11 1cy6A1 GLN 573 HG3 -0.10 -0.03 0.08 -0.04 2.39 2.30 1cy6A1 GLN 573 HE21 -0.05 -0.03 0.01 -0.04 6.97 6.86 1cy6A1 GLN 573 HE22 -0.06 -0.00 0.02 -0.04 7.69 7.60 1cy6A1 GLN 574 H -0.27 0.35 -0.24 -0.55 8.47 7.77 1cy6A1 GLN 574 HA -0.28 0.05 0.51 -0.75 4.36 3.88 1cy6A1 GLN 574 HB2 -0.21 0.14 0.25 -0.04 2.15 2.28 1cy6A1 GLN 574 HB3 -0.45 0.10 0.12 -0.04 2.02 1.75 1cy6A1 GLN 574 HG2 -0.18 -0.03 0.05 -0.04 2.40 2.20 1cy6A1 GLN 574 HG3 -0.16 0.04 0.09 -0.04 2.39 2.32 1cy6A1 GLN 574 HE21 0.03 -0.12 -0.09 -0.04 6.97 6.74 1cy6A1 GLN 574 HE22 -0.07 0.42 -0.11 -0.04 7.69 7.90 1cy6A1 LEU 575 H -0.47 0.47 -0.01 -0.55 8.37 7.81 1cy6A1 LEU 575 HA -0.29 0.03 0.38 -0.75 4.35 3.72 1cy6A1 LEU 575 HB2 -0.55 -0.02 0.08 -0.04 1.64 1.10 1cy6A1 LEU 575 HB3 -0.40 0.02 0.10 -0.04 1.64 1.32 1cy6A1 LEU 575 HG -0.07 -0.00 -0.15 -0.04 1.64 1.37 1cy6A1 LEU 575 HD13 0.10 -0.01 0.07 -0.04 0.93 1.04 1cy6A1 LEU 575 HD23 0.03 -0.01 -0.03 -0.04 0.89 0.83 1cy6A1 ASP 576 H -0.22 0.44 -0.36 -0.55 8.40 7.71 1cy6A1 ASP 576 HA -0.10 0.03 0.55 -0.75 4.63 4.36 1cy6A1 ASP 576 HB2 -0.13 0.12 0.18 -0.04 2.71 2.84 1cy6A1 ASP 576 HB3 -0.09 -0.05 0.00 -0.04 2.70 2.52 1cy6A1 LYS 577 H -0.18 0.37 -0.02 -0.55 8.42 8.04 1cy6A1 LYS 577 HA -0.11 -0.01 0.35 -0.75 4.32 3.80 1cy6A1 LYS 577 HB2 -0.22 0.15 0.19 -0.04 1.87 1.95 1cy6A1 LYS 577 HB3 -0.14 0.09 0.06 -0.04 1.79 1.75 1cy6A1 LYS 577 HG2 -0.11 -0.08 0.09 -0.04 1.46 1.32 1cy6A1 LYS 577 HG3 -0.15 0.20 0.19 -0.04 1.46 1.66 1cy6A1 LYS 577 HD2 -0.14 -0.01 0.07 -0.04 1.69 1.57 1cy6A1 LYS 577 HD3 -0.10 0.03 0.06 -0.04 1.68 1.63 1cy6A1 LYS 577 HE2 -0.08 -0.03 0.04 -0.04 2.99 2.87 1cy6A1 LYS 577 HE3 -0.10 -0.02 0.01 -0.04 2.99 2.83 1cy6A1 ALA 578 H -0.26 0.32 -0.31 -0.55 8.40 7.60 1cy6A1 ALA 578 HA -0.15 0.03 0.46 -0.75 4.34 3.93 1cy6A1 ALA 578 HB3 -0.28 0.02 0.07 -0.04 1.41 1.18 1cy6A1 GLU 579 H -0.09 0.35 -0.26 -0.55 8.60 8.06 1cy6A1 GLU 579 HA -0.02 0.04 0.54 -0.75 4.29 4.09 1cy6A1 GLU 579 HB2 -0.04 0.10 0.13 -0.04 2.09 2.23 1cy6A1 GLU 579 HB3 -0.02 -0.11 0.08 -0.04 1.99 1.90 1cy6A1 GLU 579 HG2 -0.00 -0.09 0.05 -0.04 2.34 2.26 1cy6A1 GLU 579 HG3 -0.04 0.29 0.16 -0.04 2.34 2.71 1cy6A1 LYS 580 H -0.06 0.28 -0.35 -0.55 8.42 7.74 1cy6A1 LYS 580 HA -0.03 -0.03 0.37 -0.75 4.32 3.87 1cy6A1 LYS 580 HB2 -0.05 0.17 -0.12 -0.04 1.87 1.83 1cy6A1 LYS 580 HB3 -0.04 -0.18 0.10 -0.04 1.79 1.63 1cy6A1 LYS 580 HG2 -0.05 -0.11 -0.01 -0.04 1.46 1.25 1cy6A1 LYS 580 HG3 -0.07 0.26 0.08 -0.04 1.46 1.70 1cy6A1 LYS 580 HD2 -0.06 -0.08 -0.09 -0.04 1.69 1.42 1cy6A1 LYS 580 HD3 -0.06 0.15 -0.02 -0.04 1.68 1.70 1cy6A1 LYS 580 HE2 -0.04 -0.02 0.01 -0.04 2.99 2.90 1cy6A1 LYS 580 HE3 -0.04 -0.04 0.02 -0.04 2.99 2.89 1cy6A1 ASP 581 H -0.02 0.02 0.13 -0.55 8.40 7.98 1cy6A1 ASP 581 HA -0.01 0.25 0.52 -0.75 4.63 4.64 1cy6A1 ASP 581 HB2 -0.01 -0.13 0.04 -0.04 2.71 2.56 1cy6A1 ASP 581 HB3 -0.01 0.03 0.13 -0.04 2.70 2.81 1cy6A1 PRO 582 HA -0.02 0.14 0.44 -0.51 4.44 4.49 1cy6A1 PRO 582 HB2 -0.01 -0.01 -0.02 -0.04 2.28 2.21 1cy6A1 PRO 582 HB3 -0.01 0.22 -0.09 -0.04 2.02 2.10 1cy6A1 PRO 582 HG2 -0.00 -0.07 0.09 -0.04 2.03 2.00 1cy6A1 PRO 582 HG3 0.00 0.09 0.09 -0.04 2.03 2.17 1cy6A1 PRO 582 HD2 -0.00 0.01 0.24 -0.04 3.68 3.89 1cy6A1 PRO 582 HD3 -0.00 0.37 0.14 -0.04 3.65 4.12 1cy6A1 GLU 583 H -0.01 0.12 -0.23 -0.55 8.60 7.94 1cy6A1 GLU 583 HA -0.01 0.17 0.56 -0.75 4.29 4.26 1cy6A1 GLU 583 HB2 -0.01 0.02 0.10 -0.04 2.09 2.16 1cy6A1 GLU 583 HB3 -0.01 0.02 0.08 -0.04 1.99 2.03 1cy6A1 GLU 583 HG2 -0.01 -0.02 -0.10 -0.04 2.34 2.17 1cy6A1 GLU 583 HG3 -0.01 0.01 -0.02 -0.04 2.34 2.28 1cy6A1 GLU 584 H -0.02 0.32 -0.55 -0.55 8.60 7.81 1cy6A1 GLU 584 HA -0.02 0.13 0.77 -0.75 4.29 4.41 1cy6A1 GLU 584 HB2 -0.03 0.14 0.02 -0.04 2.09 2.18 1cy6A1 GLU 584 HB3 -0.03 0.00 0.12 -0.04 1.99 2.04 1cy6A1 GLU 584 HG2 -0.02 0.04 -0.04 -0.04 2.34 2.28 1cy6A1 GLU 584 HG3 -0.02 -0.12 -0.12 -0.04 2.34 2.05 1cy6A1 GLY 585 H -0.03 0.13 -0.40 -0.55 8.43 7.59 1cy6A1 GLY 585 HA2 -0.04 0.04 0.27 -0.51 4.01 3.78 1cy6A1 GLY 585 HA3 -0.05 0.08 0.68 -0.51 4.01 4.20 1cy6A1 GLY 586 H -0.03 0.05 -0.11 -0.55 8.43 7.79 1cy6A1 GLY 586 HA2 -0.07 0.28 0.59 -0.51 4.01 4.30 1cy6A1 GLY 586 HA3 -0.04 0.26 -0.09 -0.51 4.01 3.63 1cy6A1 MET 587 H -0.04 0.54 0.21 -0.55 8.47 8.63 1cy6A1 MET 587 HA -0.02 -0.02 0.39 -0.75 4.52 4.12 1cy6A1 MET 587 HB2 0.00 -0.04 0.10 -0.04 2.15 2.17 1cy6A1 MET 587 HB3 0.02 0.07 0.08 -0.04 2.03 2.15 1cy6A1 MET 587 HG2 0.04 0.16 -0.25 -0.04 2.63 2.54 1cy6A1 MET 587 HG3 0.04 -0.08 0.03 -0.04 2.56 2.50 1cy6A1 MET 587 HE3 0.19 0.00 -0.14 -0.04 2.10 2.12 1cy6A1 ARG 588 H 0.01 0.05 0.15 -0.55 8.46 8.11 1cy6A1 ARG 588 HA 0.01 0.08 0.50 -0.75 4.34 4.18 1cy6A1 ARG 588 HB2 0.02 -0.08 0.09 -0.04 1.90 1.89 1cy6A1 ARG 588 HB3 0.01 0.08 0.00 -0.04 1.80 1.85 1cy6A1 ARG 588 HG2 0.00 -0.01 0.04 -0.04 1.67 1.66 1cy6A1 ARG 588 HG3 -0.00 0.06 0.06 -0.04 1.67 1.75 1cy6A1 ARG 588 HD2 0.00 -0.01 -0.00 -0.04 3.22 3.17 1cy6A1 ARG 588 HD3 0.01 -0.02 0.00 -0.04 3.22 3.17 1cy6A1 PRO 589 HA 0.03 0.21 0.58 -0.51 4.44 4.75 1cy6A1 PRO 589 HB2 0.02 -0.10 0.01 -0.04 2.28 2.17 1cy6A1 PRO 589 HB3 0.03 0.10 0.11 -0.04 2.02 2.22 1cy6A1 PRO 589 HG2 0.01 -0.06 0.11 -0.04 2.03 2.06 1cy6A1 PRO 589 HG3 0.02 0.15 0.11 -0.04 2.03 2.27 1cy6A1 PRO 589 HD2 0.01 0.02 0.26 -0.04 3.68 3.93 1cy6A1 PRO 589 HD3 0.01 0.15 0.32 -0.04 3.65 4.09 1cy6A1 ASN 590 H 0.04 0.54 0.23 -0.55 8.53 8.80 1cy6A1 ASN 590 HA 0.03 0.06 0.50 -0.75 4.76 4.60 1cy6A1 ASN 590 HB2 0.05 -0.01 0.20 -0.04 2.88 3.08 1cy6A1 ASN 590 HB3 0.04 0.08 0.34 -0.04 2.79 3.21 1cy6A1 ASN 590 HD21 0.04 -0.09 -0.01 -0.04 7.03 6.94 1cy6A1 ASN 590 HD22 0.05 0.07 0.05 -0.04 7.74 7.87 1cy6A1 GLN 591 H 0.02 0.64 0.16 -0.55 8.47 8.75 1cy6A1 GLN 591 HA 0.02 0.15 0.83 -0.75 4.36 4.60 1cy6A1 GLN 591 HB2 0.02 0.03 -0.05 -0.04 2.15 2.11 1cy6A1 GLN 591 HB3 0.02 -0.10 -0.02 -0.04 2.02 1.87 1cy6A1 GLN 591 HG2 0.02 -0.03 -0.58 -0.04 2.40 1.78 1cy6A1 GLN 591 HG3 0.02 -0.01 -0.10 -0.04 2.39 2.25 1cy6A1 GLN 591 HE21 0.02 -0.03 -0.02 -0.04 6.97 6.90 1cy6A1 GLN 591 HE22 0.02 -0.02 -0.03 -0.04 7.69 7.61 1cy6A1 MET 592 H 0.02 0.18 -0.01 -0.55 8.47 8.10 1cy6A1 MET 592 HA 0.01 0.18 0.77 -0.75 4.52 4.73 1cy6A1 MET 592 HB2 0.02 0.04 -0.09 -0.04 2.15 2.08 1cy6A1 MET 592 HB3 0.01 -0.05 0.13 -0.04 2.03 2.08 1cy6A1 MET 592 HG2 0.01 -0.05 -0.02 -0.04 2.63 2.53 1cy6A1 MET 592 HG3 0.01 0.03 -0.15 -0.04 2.56 2.41 1cy6A1 MET 592 HE3 0.01 0.00 -0.07 -0.04 2.10 2.00 1cy6A1 VAL 593 H 0.01 0.17 -0.02 -0.55 8.24 7.85 1cy6A1 VAL 593 HA 0.01 -0.07 0.41 -0.75 4.13 3.73 1cy6A1 VAL 593 HB 0.01 0.06 0.11 -0.04 2.12 2.25 1cy6A1 VAL 593 HG13 0.01 0.01 -0.06 -0.04 0.97 0.89 1cy6A1 VAL 593 HG23 0.01 0.00 0.03 -0.04 0.95 0.95 1cy6A1 LEU 594 H 0.01 0.00 0.18 -0.55 8.37 8.02 1cy6A1 LEU 594 HA 0.01 0.10 0.27 -0.75 4.35 3.96 1cy6A1 LEU 594 HB2 0.01 -0.11 0.19 -0.04 1.64 1.69 1cy6A1 LEU 594 HB3 0.01 0.03 0.18 -0.04 1.64 1.82 1cy6A1 LEU 594 HG 0.00 -0.08 -0.25 -0.04 1.64 1.28 1cy6A1 LEU 594 HD13 0.00 0.00 0.01 -0.04 0.93 0.91 1cy6A1 LEU 594 HD23 0.01 0.00 -0.05 -0.04 0.89 0.80 1cy6A1 THR 595 H 0.01 0.07 0.07 -0.55 8.28 7.87 1cy6A1 THR 595 HA 0.01 0.15 0.26 -0.75 4.39 4.06 1cy6A1 THR 595 HB 0.00 -0.02 0.09 -0.04 4.32 4.36 1cy6A1 THR 595 HG23 0.00 0.01 0.04 -0.04 1.22 1.24