============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. PHE 17 1.000 4.475 40.265 -8.405 -99.200 -91.000 PHE 35 1.000 10.824 29.114 -5.366 -99.200 -91.000 TYR 40 0.840 10.721 48.070 3.525 -99.200 -91.000 HIS 43 0.900 6.291 51.012 8.677 -99.200 -91.000 PHE 70 1.000 4.435 39.215 8.484 -99.200 -91.000 TYR 71 0.840 -2.120 46.063 14.485 -99.200 -91.000 HIS 78 0.900 1.866 27.362 5.131 -99.200 -91.000 HIS 85 0.900 18.902 36.742 0.459 -99.200 -91.000 TRP 93 1.040 8.848 40.809 11.602 -99.200 -91.000 TRP6 93 1.020 10.745 39.503 11.054 -99.200 -91.000 PHE 94 1.000 7.345 35.438 13.976 -99.200 -91.000 TYR 102 0.840 4.389 25.200 7.740 -99.200 -91.000 TYR 110 0.840 16.997 32.359 11.947 -99.200 -91.000 PHE 119 1.000 9.044 31.057 17.873 -99.200 -91.000 PHE 136 1.000 19.367 28.422 15.593 -99.200 -91.000 PHE 144 1.000 12.552 26.416 21.065 -99.200 -91.000 TYR 163 0.840 19.772 22.800 24.733 -99.200 -91.000 HIS 175 0.900 1.522 15.219 19.320 -99.200 -91.000 HIS 176 0.900 8.956 14.131 13.299 -99.200 -91.000 HIS 180 0.900 17.901 18.951 10.070 -99.200 -91.000 PHE 186 1.000 26.323 22.393 23.340 -99.200 -91.000 PHE 191 1.000 17.411 11.032 25.661 -99.200 -91.000 TYR 200 0.840 9.772 10.278 14.664 -99.200 -91.000 PHE 211 1.000 25.799 9.809 23.995 -99.200 -91.000 PHE 213 1.000 23.893 7.066 30.735 -99.200 -91.000 PHE 230 1.000 20.000 7.509 17.147 -99.200 -91.000 PHE 240 1.000 24.116 0.231 18.955 -99.200 -91.000 TYR 249 0.840 18.075 8.782 32.220 -99.200 -91.000 PHE 258 1.000 20.130 2.860 15.255 -99.200 -91.000 PHE 269 1.000 32.903 -1.346 23.287 -99.200 -91.000 HIS 292 0.900 30.804 1.675 5.163 -99.200 -91.000 PHE 296 1.000 30.486 -7.627 11.774 -99.200 -91.000 TYR 297 0.840 39.851 -5.988 10.301 -99.200 -91.000 PHE 299 1.000 31.882 -3.603 14.808 -99.200 -91.000 TYR 300 0.840 31.828 -6.695 22.247 -99.200 -91.000 TYR 306 0.840 23.925 -14.132 19.489 -99.200 -91.000 PHE 323 1.000 28.777 -12.970 4.953 -99.200 -91.000 PHE 329 1.000 21.028 -11.776 15.802 -99.200 -91.000 HIS 332 0.900 20.366 -16.636 21.842 -99.200 -91.000 PHE 338 1.000 8.323 -7.149 8.103 -99.200 -91.000 TYR 350 0.840 27.613 -18.212 3.068 -99.200 -91.000 TRP 360 1.040 15.235 -15.698 11.928 -99.200 -91.000 TRP6 360 1.020 15.644 -16.079 9.626 -99.200 -91.000 HIS 372 0.900 23.662 -11.163 -4.884 -99.200 -91.000 PHE 399 1.000 14.236 -17.226 -6.924 -99.200 -91.000 HIS 400 0.900 19.823 -20.772 -12.582 -99.200 -91.000 TRP 408 1.040 7.053 -23.648 -2.181 -99.200 -91.000 TRP6 408 1.020 8.634 -21.894 -2.353 -99.200 -91.000 PHE 414 1.000 2.406 -11.543 0.043 -99.200 -91.000 PHE 446 1.000 -1.055 -18.181 -13.058 -99.200 -91.000 PHE 449 1.000 -8.550 -25.372 -9.490 -99.200 -91.000 TYR 457 0.840 1.104 -6.479 -9.303 -99.200 -91.000 PHE 472 1.000 -6.861 -17.203 -11.862 -99.200 -91.000 PHE 493 1.000 -12.646 -9.145 -17.510 -99.200 -91.000 TRP 503 1.040 -4.575 -2.036 -10.829 -99.200 -91.000 TRP6 503 1.020 -5.581 -2.912 -8.872 -99.200 -91.000 HIS 505 0.900 -3.091 0.400 -15.786 -99.200 -91.000 TRP 509 1.040 -7.669 -3.371 -23.267 -99.200 -91.000 TRP6 509 1.020 -8.056 -5.666 -22.828 -99.200 -91.000 TYR 518 0.840 -18.072 -9.686 -21.264 -99.200 -91.000 TRP 522 1.040 -17.621 -7.068 -16.451 -99.200 -91.000 TRP6 522 1.020 -15.754 -6.160 -15.305 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z81A1 SER 27 HA 0.07 -0.02 0.16 -0.75 4.49 3.95 2z81A1 SER 27 HB2 0.07 -0.03 0.07 -0.04 3.95 4.01 2z81A1 SER 27 HB3 0.11 -0.06 0.00 -0.04 3.93 3.94 2z81A1 LEU 28 H 0.18 0.14 0.11 -0.55 8.37 8.25 2z81A1 LEU 28 HA 0.11 0.22 0.69 -0.75 4.35 4.62 2z81A1 LEU 28 HB2 0.08 -0.06 -0.13 -0.04 1.64 1.49 2z81A1 LEU 28 HB3 0.20 -0.05 0.06 -0.04 1.64 1.82 2z81A1 LEU 28 HG 0.06 0.05 0.07 -0.04 1.64 1.78 2z81A1 LEU 28 HD13 0.03 -0.01 -0.20 -0.04 0.93 0.70 2z81A1 LEU 28 HD23 -0.01 -0.02 -0.08 -0.04 0.89 0.74 2z81A1 SER 29 H 0.05 0.43 0.36 -0.55 8.46 8.75 2z81A1 SER 29 HA 0.02 0.17 0.98 -0.75 4.49 4.91 2z81A1 SER 29 HB2 0.01 0.01 0.04 -0.04 3.95 3.97 2z81A1 SER 29 HB3 0.02 0.09 -0.02 -0.04 3.93 3.97 2z81A1 CYS 30 H 0.01 0.23 0.17 -0.55 8.50 8.36 2z81A1 CYS 30 HA 0.01 0.29 1.06 -0.75 4.58 5.19 2z81A1 CYS 30 HB2 0.00 0.04 -0.02 -0.04 2.97 2.95 2z81A1 CYS 30 HB3 0.00 -0.06 -0.16 -0.04 2.97 2.71 2z81A1 ASP 31 H -0.00 0.35 0.22 -0.55 8.40 8.42 2z81A1 ASP 31 HA -0.00 0.23 0.76 -0.75 4.63 4.87 2z81A1 ASP 31 HB2 -0.01 -0.07 0.24 -0.04 2.71 2.82 2z81A1 ASP 31 HB3 -0.01 0.11 0.12 -0.04 2.70 2.88 2z81A1 ALA 32 H -0.01 0.18 0.17 -0.55 8.40 8.20 2z81A1 ALA 32 HA -0.00 0.16 0.45 -0.75 4.34 4.19 2z81A1 ALA 32 HB3 -0.01 0.02 0.12 -0.04 1.41 1.51 2z81A1 SER 33 H -0.01 -0.03 -0.31 -0.55 8.46 7.57 2z81A1 SER 33 HA -0.01 0.30 0.84 -0.75 4.49 4.87 2z81A1 SER 33 HB2 -0.01 -0.08 0.05 -0.04 3.95 3.87 2z81A1 SER 33 HB3 -0.01 0.08 0.16 -0.04 3.93 4.11 2z81A1 GLY 34 H -0.01 0.34 -0.34 -0.55 8.43 7.87 2z81A1 GLY 34 HA2 -0.00 0.07 0.25 -0.51 4.01 3.82 2z81A1 GLY 34 HA3 -0.01 0.27 0.56 -0.51 4.01 4.33 2z81A1 VAL 35 H -0.01 -0.02 -0.23 -0.55 8.24 7.43 2z81A1 VAL 35 HA -0.02 0.11 0.83 -0.75 4.13 4.31 2z81A1 VAL 35 HB -0.01 -0.11 0.15 -0.04 2.12 2.10 2z81A1 VAL 35 HG13 -0.02 0.01 -0.13 -0.04 0.97 0.79 2z81A1 VAL 35 HG23 -0.02 0.03 -0.10 -0.04 0.95 0.82 2z81A1 CYS 36 H -0.00 0.85 0.40 -0.55 8.50 9.20 2z81A1 CYS 36 HA 0.01 0.28 1.13 -0.75 4.58 5.25 2z81A1 CYS 36 HB2 0.01 -0.01 0.14 -0.04 2.97 3.06 2z81A1 CYS 36 HB3 0.02 0.01 -0.17 -0.04 2.97 2.79 2z81A1 ASP 37 H 0.02 0.81 0.38 -0.55 8.40 9.07 2z81A1 ASP 37 HA 0.04 0.06 1.05 -0.75 4.63 5.02 2z81A1 ASP 37 HB2 0.01 -0.00 0.07 -0.04 2.71 2.75 2z81A1 ASP 37 HB3 0.02 0.05 0.28 -0.04 2.70 3.01 2z81A1 GLY 38 H 0.08 0.59 0.34 -0.55 8.43 8.89 2z81A1 GLY 38 HA2 0.17 0.18 0.79 -0.51 4.01 4.65 2z81A1 GLY 38 HA3 0.27 -0.05 0.38 -0.51 4.01 4.10 2z81A1 ARG 39 H 0.06 -0.01 0.01 -0.55 8.46 7.98 2z81A1 ARG 39 HA 0.11 0.22 0.49 -0.75 4.34 4.41 2z81A1 ARG 39 HB2 0.08 -0.11 0.04 -0.04 1.90 1.87 2z81A1 ARG 39 HB3 0.04 -0.00 0.03 -0.04 1.80 1.83 2z81A1 ARG 39 HG2 0.07 0.11 -0.19 -0.04 1.67 1.62 2z81A1 ARG 39 HG3 0.25 -0.01 -0.09 -0.04 1.67 1.78 2z81A1 ARG 39 HD2 0.09 -0.08 -0.04 -0.04 3.22 3.15 2z81A1 ARG 39 HD3 0.02 0.02 -0.07 -0.04 3.22 3.14 2z81A1 SER 40 H 0.14 0.50 0.13 -0.55 8.46 8.69 2z81A1 SER 40 HA 0.07 0.37 0.45 -0.75 4.49 4.62 2z81A1 SER 40 HB2 -0.04 0.02 -0.18 -0.04 3.95 3.71 2z81A1 SER 40 HB3 -0.04 -0.02 0.22 -0.04 3.93 4.06 2z81A1 ARG 41 H -0.10 0.05 -0.40 -0.55 8.46 7.46 2z81A1 ARG 41 HA -0.22 0.16 0.63 -0.75 4.34 4.16 2z81A1 ARG 41 HB2 -0.70 0.12 -0.05 -0.04 1.90 1.23 2z81A1 ARG 41 HB3 -1.10 -0.25 0.13 -0.04 1.80 0.53 2z81A1 ARG 41 HG2 -0.86 -0.03 -0.05 -0.04 1.67 0.69 2z81A1 ARG 41 HG3 -0.37 -0.00 0.01 -0.04 1.67 1.27 2z81A1 ARG 41 HD2 -0.14 0.17 -0.27 -0.04 3.22 2.94 2z81A1 ARG 41 HD3 -0.13 -0.08 -0.40 -0.04 3.22 2.56 2z81A1 SER 42 H -0.32 0.14 0.04 -0.55 8.46 7.78 2z81A1 SER 42 HA -0.04 0.29 0.86 -0.75 4.49 4.85 2z81A1 SER 42 HB2 -0.06 -0.03 0.08 -0.04 3.95 3.90 2z81A1 SER 42 HB3 -0.01 -0.00 0.15 -0.04 3.93 4.02 2z81A1 PHE 43 H -0.19 0.10 -0.27 -0.55 8.34 7.44 2z81A1 PHE 43 HA 0.01 0.03 0.42 -0.75 4.62 4.33 2z81A1 PHE 43 HB2 0.01 -0.03 0.06 -0.04 3.15 3.16 2z81A1 PHE 43 HB3 0.01 0.13 0.01 -0.04 3.06 3.16 2z81A1 PHE 43 HD2 0.01 0.02 0.06 -0.04 7.28 7.34 2z81A1 PHE 43 HE2 0.01 0.02 0.07 -0.04 7.38 7.44 2z81A1 PHE 43 HZ 0.01 0.03 0.02 -0.04 7.32 7.34 2z81A1 THR 44 H 0.17 0.13 0.22 -0.55 8.28 8.26 2z81A1 THR 44 HA 0.08 0.38 0.72 -0.75 4.39 4.82 2z81A1 THR 44 HB 0.06 -0.04 0.21 -0.04 4.32 4.51 2z81A1 THR 44 HG23 0.06 0.06 0.01 -0.04 1.22 1.31 2z81A1 SER 45 H 0.08 0.19 0.05 -0.55 8.46 8.24 2z81A1 SER 45 HA 0.02 0.10 0.51 -0.75 4.49 4.36 2z81A1 SER 45 HB2 0.01 -0.03 0.13 -0.04 3.95 4.03 2z81A1 SER 45 HB3 0.04 0.09 -0.11 -0.04 3.93 3.92 2z81A1 ILE 46 H -0.06 0.10 0.14 -0.55 8.25 7.88 2z81A1 ILE 46 HA -0.17 0.09 0.43 -0.75 4.18 3.79 2z81A1 ILE 46 HB -0.09 -0.10 0.12 -0.04 1.89 1.78 2z81A1 ILE 46 HG12 -0.09 -0.05 0.13 -0.04 1.49 1.44 2z81A1 ILE 46 HG13 -0.09 -0.06 0.01 -0.04 1.21 1.03 2z81A1 ILE 46 HG23 -0.09 0.08 -0.08 -0.04 0.93 0.80 2z81A1 ILE 46 HD13 -0.06 0.02 -0.05 -0.04 0.88 0.75 2z81A1 PRO 47 HA -0.26 -0.02 0.46 -0.51 4.44 4.11 2z81A1 PRO 47 HB2 -0.23 0.16 0.03 -0.04 2.28 2.20 2z81A1 PRO 47 HB3 -0.77 0.01 0.16 -0.04 2.02 1.37 2z81A1 PRO 47 HG2 -0.21 0.01 0.04 -0.04 2.03 1.83 2z81A1 PRO 47 HG3 -0.39 0.03 0.07 -0.04 2.03 1.70 2z81A1 PRO 47 HD2 -0.27 0.01 0.22 -0.04 3.68 3.61 2z81A1 PRO 47 HD3 -0.85 0.15 0.25 -0.04 3.65 3.15 2z81A1 SER 48 H -0.08 0.06 0.17 -0.55 8.46 8.06 2z81A1 SER 48 HA -0.05 0.11 0.60 -0.75 4.49 4.41 2z81A1 SER 48 HB2 -0.02 -0.06 0.15 -0.04 3.95 3.97 2z81A1 SER 48 HB3 -0.03 0.01 0.12 -0.04 3.93 3.99 2z81A1 GLY 49 H -0.02 0.08 0.16 -0.55 8.43 8.11 2z81A1 GLY 49 HA2 -0.01 0.02 0.33 -0.51 4.01 3.84 2z81A1 GLY 49 HA3 -0.01 0.07 0.39 -0.51 4.01 3.96 2z81A1 LEU 50 H -0.02 0.02 -0.07 -0.55 8.37 7.75 2z81A1 LEU 50 HA -0.02 0.11 0.46 -0.75 4.35 4.16 2z81A1 LEU 50 HB2 -0.02 -0.11 -0.02 -0.04 1.64 1.46 2z81A1 LEU 50 HB3 -0.02 -0.01 0.02 -0.04 1.64 1.59 2z81A1 LEU 50 HG -0.05 0.13 -0.04 -0.04 1.64 1.65 2z81A1 LEU 50 HD13 -0.04 0.00 0.03 -0.04 0.93 0.88 2z81A1 LEU 50 HD23 -0.05 0.00 -0.12 -0.04 0.89 0.67 2z81A1 THR 51 H -0.01 0.14 0.11 -0.55 8.28 7.97 2z81A1 THR 51 HA -0.00 0.31 0.96 -0.75 4.39 4.91 2z81A1 THR 51 HB -0.00 -0.05 0.13 -0.04 4.32 4.36 2z81A1 THR 51 HG23 -0.00 0.06 -0.21 -0.04 1.22 1.03 2z81A1 ALA 52 H 0.00 0.19 0.16 -0.55 8.40 8.21 2z81A1 ALA 52 HA 0.00 0.03 0.64 -0.75 4.34 4.26 2z81A1 ALA 52 HB3 0.00 0.04 0.16 -0.04 1.41 1.57 2z81A1 ALA 53 H -0.00 -0.04 -0.39 -0.55 8.40 7.42 2z81A1 ALA 53 HA -0.00 0.21 0.59 -0.75 4.34 4.38 2z81A1 ALA 53 HB3 -0.00 -0.00 0.00 -0.04 1.41 1.37 2z81A1 MET 54 H -0.00 0.15 -0.36 -0.55 8.47 7.71 2z81A1 MET 54 HA -0.00 0.06 0.58 -0.75 4.52 4.41 2z81A1 MET 54 HB2 -0.00 0.07 0.06 -0.04 2.15 2.23 2z81A1 MET 54 HB3 -0.01 0.02 -0.04 -0.04 2.03 1.97 2z81A1 MET 54 HG2 -0.00 0.04 -0.05 -0.04 2.63 2.57 2z81A1 MET 54 HG3 -0.00 -0.14 0.02 -0.04 2.56 2.40 2z81A1 MET 54 HE3 -0.00 0.04 -0.04 -0.04 2.10 2.05 2z81A1 LYS 55 H -0.01 0.58 0.44 -0.55 8.42 8.87 2z81A1 LYS 55 HA -0.01 0.28 0.85 -0.75 4.32 4.69 2z81A1 LYS 55 HB2 -0.01 -0.00 0.05 -0.04 1.87 1.86 2z81A1 LYS 55 HB3 -0.01 -0.07 0.08 -0.04 1.79 1.74 2z81A1 LYS 55 HG2 -0.01 0.08 -0.08 -0.04 1.46 1.41 2z81A1 LYS 55 HG3 -0.01 0.05 0.03 -0.04 1.46 1.49 2z81A1 LYS 55 HD2 -0.01 -0.03 0.02 -0.04 1.69 1.63 2z81A1 LYS 55 HD3 -0.01 0.14 -0.22 -0.04 1.68 1.55 2z81A1 LYS 55 HE2 -0.01 -0.05 -0.02 -0.04 2.99 2.86 2z81A1 LYS 55 HE3 -0.01 -0.00 -0.03 -0.04 2.99 2.91 2z81A1 SER 56 H -0.01 0.51 0.40 -0.55 8.46 8.81 2z81A1 SER 56 HA -0.03 0.21 1.04 -0.75 4.49 4.97 2z81A1 SER 56 HB2 -0.04 0.07 -0.08 -0.04 3.95 3.85 2z81A1 SER 56 HB3 -0.03 -0.13 0.16 -0.04 3.93 3.89 2z81A1 LEU 57 H -0.02 0.74 0.32 -0.55 8.37 8.87 2z81A1 LEU 57 HA 0.00 0.22 1.07 -0.75 4.35 4.89 2z81A1 LEU 57 HB2 -0.01 0.00 -0.11 -0.04 1.64 1.48 2z81A1 LEU 57 HB3 -0.00 -0.01 0.19 -0.04 1.64 1.78 2z81A1 LEU 57 HG 0.00 -0.04 -0.22 -0.04 1.64 1.35 2z81A1 LEU 57 HD13 0.00 0.01 -0.06 -0.04 0.93 0.84 2z81A1 LEU 57 HD23 -0.02 0.00 -0.05 -0.04 0.89 0.78 2z81A1 ASP 58 H 0.02 0.55 0.25 -0.55 8.40 8.67 2z81A1 ASP 58 HA 0.02 0.12 1.07 -0.75 4.63 5.09 2z81A1 ASP 58 HB2 0.01 0.04 0.05 -0.04 2.71 2.77 2z81A1 ASP 58 HB3 0.03 -0.06 0.33 -0.04 2.70 2.96 2z81A1 LEU 59 H 0.04 0.75 0.21 -0.55 8.37 8.81 2z81A1 LEU 59 HA 0.14 0.30 0.67 -0.75 4.35 4.70 2z81A1 LEU 59 HB2 0.02 0.04 0.06 -0.04 1.64 1.72 2z81A1 LEU 59 HB3 0.07 -0.04 0.16 -0.04 1.64 1.79 2z81A1 LEU 59 HG 0.03 -0.10 -0.36 -0.04 1.64 1.17 2z81A1 LEU 59 HD13 -0.05 -0.01 -0.04 -0.04 0.93 0.80 2z81A1 LEU 59 HD23 0.09 0.03 0.04 -0.04 0.89 1.01 2z81A1 SER 60 H 0.08 -0.03 -0.23 -0.55 8.46 7.73 2z81A1 SER 60 HA -0.07 0.16 0.28 -0.75 4.49 4.11 2z81A1 SER 60 HB2 0.22 -0.05 -0.04 -0.04 3.95 4.05 2z81A1 SER 60 HB3 -0.19 0.14 0.00 -0.04 3.93 3.84 2z81A1 PHE 61 H -0.43 0.69 0.05 -0.55 8.34 8.10 2z81A1 PHE 61 HA -0.00 0.47 0.45 -0.75 4.62 4.78 2z81A1 PHE 61 HB2 -0.00 -0.10 -0.00 -0.04 3.15 3.01 2z81A1 PHE 61 HB3 -0.00 0.03 0.26 -0.04 3.06 3.31 2z81A1 PHE 61 HD2 0.00 -0.02 -0.12 -0.04 7.28 7.11 2z81A1 PHE 61 HE2 0.01 -0.03 -0.05 -0.04 7.38 7.27 2z81A1 PHE 61 HZ 0.01 -0.03 -0.06 -0.04 7.32 7.20 2z81A1 ASN 62 H 0.02 0.01 -0.15 -0.55 8.53 7.86 2z81A1 ASN 62 HA 0.06 0.33 0.78 -0.75 4.76 5.18 2z81A1 ASN 62 HB2 0.10 0.02 0.01 -0.04 2.88 2.97 2z81A1 ASN 62 HB3 0.15 -0.08 0.12 -0.04 2.79 2.94 2z81A1 ASN 62 HD21 0.22 0.45 0.05 -0.04 7.03 7.72 2z81A1 ASN 62 HD22 0.16 0.36 -0.22 -0.04 7.74 8.00 2z81A1 LYS 63 H 0.08 0.63 0.04 -0.55 8.42 8.62 2z81A1 LYS 63 HA 0.01 0.06 0.77 -0.75 4.32 4.41 2z81A1 LYS 63 HB2 0.05 0.11 0.04 -0.04 1.87 2.02 2z81A1 LYS 63 HB3 0.04 -0.06 0.18 -0.04 1.79 1.90 2z81A1 LYS 63 HG2 0.03 0.05 -0.09 -0.04 1.46 1.41 2z81A1 LYS 63 HG3 0.04 0.01 -0.52 -0.04 1.46 0.94 2z81A1 LYS 63 HD2 0.03 -0.05 -0.02 -0.04 1.69 1.62 2z81A1 LYS 63 HD3 0.03 0.01 -0.06 -0.04 1.68 1.62 2z81A1 LYS 63 HE2 0.02 -0.03 -0.02 -0.04 2.99 2.91 2z81A1 LYS 63 HE3 0.02 0.04 -0.06 -0.04 2.99 2.95 2z81A1 ILE 64 H 0.02 0.08 -0.19 -0.55 8.25 7.61 2z81A1 ILE 64 HA 0.04 0.20 0.29 -0.75 4.18 3.96 2z81A1 ILE 64 HB -0.01 -0.01 0.00 -0.04 1.89 1.83 2z81A1 ILE 64 HG12 0.06 -0.07 -0.54 -0.04 1.49 0.90 2z81A1 ILE 64 HG13 0.09 -0.05 -0.22 -0.04 1.21 0.99 2z81A1 ILE 64 HG23 -0.03 -0.02 -0.24 -0.04 0.93 0.60 2z81A1 ILE 64 HD13 0.03 0.03 -0.15 -0.04 0.88 0.75 2z81A1 THR 65 H 0.05 0.40 0.16 -0.55 8.28 8.34 2z81A1 THR 65 HA 0.03 0.31 0.27 -0.75 4.39 4.25 2z81A1 THR 65 HB 0.07 0.02 0.19 -0.04 4.32 4.55 2z81A1 THR 65 HG23 0.08 -0.02 -0.09 -0.04 1.22 1.16 2z81A1 TYR 66 H 0.12 0.20 -0.01 -0.55 8.29 8.06 2z81A1 TYR 66 HA -0.04 0.33 1.04 -0.75 4.56 5.13 2z81A1 TYR 66 HB2 -0.01 0.03 -0.10 -0.04 3.06 2.94 2z81A1 TYR 66 HB3 -0.02 0.00 0.07 -0.04 2.98 2.99 2z81A1 TYR 66 HD2 -0.03 0.01 -0.13 -0.04 7.15 6.96 2z81A1 TYR 66 HE2 -0.05 -0.04 -0.09 -0.04 6.85 6.63 2z81A1 ILE 67 H -0.58 0.58 0.30 -0.55 8.25 8.00 2z81A1 ILE 67 HA -0.32 0.09 0.92 -0.75 4.18 4.11 2z81A1 ILE 67 HB -0.44 -0.04 0.23 -0.04 1.89 1.60 2z81A1 ILE 67 HG12 -0.16 0.01 -0.08 -0.04 1.49 1.21 2z81A1 ILE 67 HG13 -0.19 0.01 -0.30 -0.04 1.21 0.69 2z81A1 ILE 67 HG23 -0.30 0.02 -0.06 -0.04 0.93 0.55 2z81A1 ILE 67 HD13 -0.14 0.01 -0.08 -0.04 0.88 0.63 2z81A1 GLY 68 H -0.33 0.13 0.10 -0.55 8.43 7.78 2z81A1 GLY 68 HA2 -0.61 0.14 0.58 -0.51 4.01 3.62 2z81A1 GLY 68 HA3 -0.11 0.03 0.35 -0.51 4.01 3.78 2z81A1 HIS 69 H -0.04 0.17 0.14 -0.55 8.41 8.13 2z81A1 HIS 69 HA -0.08 0.07 0.27 -0.75 4.63 4.13 2z81A1 HIS 69 HB2 -0.01 -0.00 0.08 -0.04 3.26 3.29 2z81A1 HIS 69 HB3 -0.03 0.10 -0.01 -0.04 3.20 3.21 2z81A1 HIS 69 HD2 -0.03 -0.01 -0.02 -0.04 6.97 6.86 2z81A1 HIS 69 HE1 0.06 0.05 0.03 -0.04 7.75 7.84 2z81A1 GLY 70 H 0.06 0.02 -0.13 -0.55 8.43 7.83 2z81A1 GLY 70 HA2 0.03 0.29 0.84 -0.51 4.01 4.66 2z81A1 GLY 70 HA3 0.03 0.06 0.27 -0.51 4.01 3.86 2z81A1 ASP 71 H -0.05 0.12 -0.24 -0.55 8.40 7.67 2z81A1 ASP 71 HA -0.03 0.10 0.35 -0.75 4.63 4.29 2z81A1 ASP 71 HB2 -0.11 0.07 0.07 -0.04 2.71 2.70 2z81A1 ASP 71 HB3 -0.08 0.08 0.03 -0.04 2.70 2.70 2z81A1 LEU 72 H -0.03 0.19 -0.30 -0.55 8.37 7.69 2z81A1 LEU 72 HA 0.00 0.18 0.87 -0.75 4.35 4.65 2z81A1 LEU 72 HB2 0.06 0.26 0.04 -0.04 1.64 1.96 2z81A1 LEU 72 HB3 0.07 0.03 0.11 -0.04 1.64 1.81 2z81A1 LEU 72 HG -0.02 -0.16 -0.28 -0.04 1.64 1.14 2z81A1 LEU 72 HD13 0.16 0.02 -0.10 -0.04 0.93 0.96 2z81A1 LEU 72 HD23 0.01 0.03 -0.07 -0.04 0.89 0.81 2z81A1 ARG 73 H 0.02 0.33 -0.31 -0.55 8.46 7.94 2z81A1 ARG 73 HA 0.06 0.11 0.39 -0.75 4.34 4.14 2z81A1 ARG 73 HB2 0.04 -0.01 0.11 -0.04 1.90 2.00 2z81A1 ARG 73 HB3 0.03 0.03 0.05 -0.04 1.80 1.87 2z81A1 ARG 73 HG2 0.05 0.02 -0.08 -0.04 1.67 1.62 2z81A1 ARG 73 HG3 0.09 0.00 0.03 -0.04 1.67 1.76 2z81A1 ARG 73 HD2 0.04 -0.02 -0.02 -0.04 3.22 3.17 2z81A1 ARG 73 HD3 0.06 0.01 -0.02 -0.04 3.22 3.22 2z81A1 ALA 74 H 0.01 0.09 -0.25 -0.55 8.40 7.71 2z81A1 ALA 74 HA 0.01 0.12 0.42 -0.75 4.34 4.14 2z81A1 ALA 74 HB3 0.00 -0.01 -0.05 -0.04 1.41 1.32 2z81A1 CYS 75 H 0.01 0.12 -0.45 -0.55 8.50 7.63 2z81A1 CYS 75 HA 0.00 0.21 0.48 -0.75 4.58 4.52 2z81A1 CYS 75 HB2 0.00 -0.01 0.10 -0.04 2.97 3.03 2z81A1 CYS 75 HB3 -0.00 0.02 0.02 -0.04 2.97 2.97 2z81A1 ALA 76 H 0.01 0.35 -0.16 -0.55 8.40 8.05 2z81A1 ALA 76 HA 0.01 0.27 0.39 -0.75 4.34 4.25 2z81A1 ALA 76 HB3 0.00 -0.00 0.11 -0.04 1.41 1.48 2z81A1 ASN 77 H 0.00 0.05 -0.20 -0.55 8.53 7.83 2z81A1 ASN 77 HA -0.00 0.18 0.79 -0.75 4.76 4.97 2z81A1 ASN 77 HB2 -0.00 0.19 0.02 -0.04 2.88 3.05 2z81A1 ASN 77 HB3 -0.00 -0.03 0.12 -0.04 2.79 2.83 2z81A1 ASN 77 HD21 -0.00 -0.11 0.02 -0.04 7.03 6.90 2z81A1 ASN 77 HD22 -0.00 0.60 0.20 -0.04 7.74 8.49 2z81A1 LEU 78 H -0.00 0.22 -0.41 -0.55 8.37 7.62 2z81A1 LEU 78 HA -0.01 0.07 0.35 -0.75 4.35 4.02 2z81A1 LEU 78 HB2 -0.00 0.06 0.02 -0.04 1.64 1.68 2z81A1 LEU 78 HB3 -0.00 -0.02 -0.04 -0.04 1.64 1.53 2z81A1 LEU 78 HG -0.01 -0.05 -0.30 -0.04 1.64 1.24 2z81A1 LEU 78 HD13 -0.01 -0.04 -0.36 -0.04 0.93 0.48 2z81A1 LEU 78 HD23 -0.01 -0.02 -0.10 -0.04 0.89 0.72 2z81A1 GLN 79 H -0.01 0.66 0.43 -0.55 8.47 9.01 2z81A1 GLN 79 HA 0.00 0.30 0.90 -0.75 4.36 4.81 2z81A1 GLN 79 HB2 -0.01 0.03 0.20 -0.04 2.15 2.32 2z81A1 GLN 79 HB3 -0.00 -0.10 0.14 -0.04 2.02 2.02 2z81A1 GLN 79 HG2 -0.00 0.14 -0.02 -0.04 2.40 2.48 2z81A1 GLN 79 HG3 -0.01 0.19 -0.01 -0.04 2.39 2.53 2z81A1 GLN 79 HE21 -0.01 -0.07 0.02 -0.04 6.97 6.88 2z81A1 GLN 79 HE22 -0.00 0.07 0.02 -0.04 7.69 7.74 2z81A1 VAL 80 H -0.02 0.41 0.39 -0.55 8.24 8.48 2z81A1 VAL 80 HA 0.03 0.19 1.12 -0.75 4.13 4.72 2z81A1 VAL 80 HB -0.06 -0.10 0.23 -0.04 2.12 2.15 2z81A1 VAL 80 HG13 -0.21 -0.02 -0.13 -0.04 0.97 0.58 2z81A1 VAL 80 HG23 -0.08 0.02 -0.12 -0.04 0.95 0.73 2z81A1 LEU 81 H 0.07 0.73 0.29 -0.55 8.37 8.91 2z81A1 LEU 81 HA -0.00 0.22 1.02 -0.75 4.35 4.84 2z81A1 LEU 81 HB2 -0.03 0.04 -0.11 -0.04 1.64 1.50 2z81A1 LEU 81 HB3 -0.06 0.02 0.19 -0.04 1.64 1.75 2z81A1 LEU 81 HG -0.03 -0.08 -0.25 -0.04 1.64 1.24 2z81A1 LEU 81 HD13 -0.00 0.03 -0.02 -0.04 0.93 0.90 2z81A1 LEU 81 HD23 -0.08 0.00 -0.08 -0.04 0.89 0.69 2z81A1 ILE 82 H 0.01 0.72 0.35 -0.55 8.25 8.78 2z81A1 ILE 82 HA 0.07 0.09 1.03 -0.75 4.18 4.61 2z81A1 ILE 82 HB 0.02 -0.09 0.27 -0.04 1.89 2.05 2z81A1 ILE 82 HG12 0.00 0.03 -0.09 -0.04 1.49 1.39 2z81A1 ILE 82 HG13 -0.05 -0.00 -0.16 -0.04 1.21 0.95 2z81A1 ILE 82 HG23 0.05 -0.02 0.01 -0.04 0.93 0.92 2z81A1 ILE 82 HD13 -0.08 0.01 -0.05 -0.04 0.88 0.72 2z81A1 LEU 83 H 0.01 0.68 0.29 -0.55 8.37 8.80 2z81A1 LEU 83 HA -0.02 0.14 0.62 -0.75 4.35 4.33 2z81A1 LEU 83 HB2 -0.03 0.12 0.06 -0.04 1.64 1.75 2z81A1 LEU 83 HB3 -0.04 -0.04 0.13 -0.04 1.64 1.64 2z81A1 LEU 83 HG -0.01 -0.05 -0.53 -0.04 1.64 1.00 2z81A1 LEU 83 HD13 -0.00 0.00 -0.13 -0.04 0.93 0.76 2z81A1 LEU 83 HD23 -0.01 0.01 -0.06 -0.04 0.89 0.78 2z81A1 LYS 84 H -0.05 -0.03 -0.05 -0.55 8.42 7.73 2z81A1 LYS 84 HA -0.11 0.30 0.30 -0.75 4.32 4.05 2z81A1 LYS 84 HB2 -0.04 -0.09 0.05 -0.04 1.87 1.75 2z81A1 LYS 84 HB3 -0.18 -0.06 0.03 -0.04 1.79 1.54 2z81A1 LYS 84 HG2 -0.29 0.10 -0.19 -0.04 1.46 1.03 2z81A1 LYS 84 HG3 -0.08 0.01 -0.10 -0.04 1.46 1.25 2z81A1 LYS 84 HD2 0.03 -0.05 -0.05 -0.04 1.69 1.58 2z81A1 LYS 84 HD3 0.01 -0.00 -0.08 -0.04 1.68 1.57 2z81A1 LYS 84 HE2 0.09 0.00 -0.06 -0.04 2.99 2.99 2z81A1 LYS 84 HE3 0.02 0.05 -0.08 -0.04 2.99 2.94 2z81A1 SER 85 H -0.19 0.50 0.16 -0.55 8.46 8.38 2z81A1 SER 85 HA -0.20 0.47 0.51 -0.75 4.49 4.51 2z81A1 SER 85 HB2 -1.32 -0.07 -0.11 -0.04 3.95 2.41 2z81A1 SER 85 HB3 -0.30 0.03 0.25 -0.04 3.93 3.87 2z81A1 SER 86 H -0.17 0.16 -0.16 -0.55 8.46 7.75 2z81A1 SER 86 HA -0.07 0.29 0.65 -0.75 4.49 4.61 2z81A1 SER 86 HB2 -0.08 0.09 -0.01 -0.04 3.95 3.90 2z81A1 SER 86 HB3 -0.04 -0.24 -0.02 -0.04 3.93 3.59 2z81A1 ARG 87 H -0.07 -0.04 -0.20 -0.55 8.46 7.60 2z81A1 ARG 87 HA -0.49 0.30 0.88 -0.75 4.34 4.28 2z81A1 ARG 87 HB2 -0.03 -0.07 -0.07 -0.04 1.90 1.69 2z81A1 ARG 87 HB3 -0.07 -0.01 0.08 -0.04 1.80 1.76 2z81A1 ARG 87 HG2 -0.12 0.06 -0.16 -0.04 1.67 1.40 2z81A1 ARG 87 HG3 -0.07 0.10 -0.21 -0.04 1.67 1.45 2z81A1 ARG 87 HD2 0.03 -0.03 0.01 -0.04 3.22 3.18 2z81A1 ARG 87 HD3 0.08 -0.04 -0.02 -0.04 3.22 3.20 2z81A1 ILE 88 H -0.13 0.12 -0.51 -0.55 8.25 7.18 2z81A1 ILE 88 HA -0.03 0.21 0.44 -0.75 4.18 4.05 2z81A1 ILE 88 HB -0.07 -0.07 0.03 -0.04 1.89 1.74 2z81A1 ILE 88 HG12 -0.07 0.21 -0.05 -0.04 1.49 1.54 2z81A1 ILE 88 HG13 -0.08 -0.14 -0.10 -0.04 1.21 0.85 2z81A1 ILE 88 HG23 -0.11 -0.02 -0.24 -0.04 0.93 0.52 2z81A1 ILE 88 HD13 -0.08 -0.00 -0.04 -0.04 0.88 0.72 2z81A1 ASN 89 H 0.05 0.57 0.45 -0.55 8.53 9.05 2z81A1 ASN 89 HA 0.13 0.17 0.69 -0.75 4.76 5.00 2z81A1 ASN 89 HB2 0.12 -0.02 0.18 -0.04 2.88 3.12 2z81A1 ASN 89 HB3 0.17 0.04 -0.00 -0.04 2.79 2.96 2z81A1 ASN 89 HD21 0.08 -0.08 0.04 -0.04 7.03 7.03 2z81A1 ASN 89 HD22 0.13 0.06 0.06 -0.04 7.74 7.94 2z81A1 THR 90 H 0.06 0.35 0.32 -0.55 8.28 8.46 2z81A1 THR 90 HA 0.14 0.17 0.92 -0.75 4.39 4.88 2z81A1 THR 90 HB 0.30 -0.04 0.12 -0.04 4.32 4.67 2z81A1 THR 90 HG23 0.22 -0.02 -0.15 -0.04 1.22 1.24 2z81A1 ILE 91 H 0.17 0.28 0.09 -0.55 8.25 8.24 2z81A1 ILE 91 HA -0.38 0.16 0.96 -0.75 4.18 4.16 2z81A1 ILE 91 HB -0.77 -0.03 0.05 -0.04 1.89 1.11 2z81A1 ILE 91 HG12 -0.41 0.05 -0.11 -0.04 1.49 0.98 2z81A1 ILE 91 HG13 -0.31 -0.11 -0.54 -0.04 1.21 0.21 2z81A1 ILE 91 HG23 -1.06 0.06 -0.11 -0.04 0.93 -0.23 2z81A1 ILE 91 HD13 -0.75 0.01 -0.11 -0.04 0.88 -0.00 2z81A1 GLU 92 H -0.41 0.55 0.21 -0.55 8.60 8.41 2z81A1 GLU 92 HA -0.05 0.04 0.44 -0.75 4.29 3.97 2z81A1 GLU 92 HB2 -0.45 0.05 -0.11 -0.04 2.09 1.54 2z81A1 GLU 92 HB3 -0.47 -0.06 0.00 -0.04 1.99 1.42 2z81A1 GLU 92 HG2 -0.42 0.15 0.11 -0.04 2.34 2.14 2z81A1 GLU 92 HG3 -0.97 -0.18 0.06 -0.04 2.34 1.21 2z81A1 GLY 93 H 0.02 0.13 0.17 -0.55 8.43 8.20 2z81A1 GLY 93 HA2 0.09 0.05 0.31 -0.51 4.01 3.94 2z81A1 GLY 93 HA3 -0.00 0.04 0.31 -0.51 4.01 3.84 2z81A1 ASP 94 H 0.01 0.02 -0.32 -0.55 8.40 7.56 2z81A1 ASP 94 HA 0.07 0.32 0.78 -0.75 4.63 5.05 2z81A1 ASP 94 HB2 -0.04 0.05 0.15 -0.04 2.71 2.82 2z81A1 ASP 94 HB3 -0.02 0.02 -0.01 -0.04 2.70 2.64 2z81A1 ALA 95 H -0.19 0.51 -0.42 -0.55 8.40 7.75 2z81A1 ALA 95 HA -0.19 0.11 0.33 -0.75 4.34 3.84 2z81A1 ALA 95 HB3 -0.71 -0.03 -0.04 -0.04 1.41 0.59 2z81A1 PHE 96 H -0.13 0.17 -0.41 -0.55 8.34 7.41 2z81A1 PHE 96 HA -0.01 0.20 0.81 -0.75 4.62 4.86 2z81A1 PHE 96 HB2 0.03 0.26 0.04 -0.04 3.15 3.44 2z81A1 PHE 96 HB3 0.01 0.01 0.10 -0.04 3.06 3.14 2z81A1 PHE 96 HD2 -0.09 0.16 -0.11 -0.04 7.28 7.20 2z81A1 PHE 96 HE2 -0.39 -0.03 -0.11 -0.04 7.38 6.81 2z81A1 PHE 96 HZ -0.41 -0.03 -0.11 -0.04 7.32 6.73 2z81A1 TYR 97 H 0.21 0.44 -0.36 -0.55 8.29 8.03 2z81A1 TYR 97 HA 0.08 0.08 0.27 -0.75 4.56 4.24 2z81A1 TYR 97 HB2 0.04 0.04 0.14 -0.04 3.06 3.24 2z81A1 TYR 97 HB3 0.04 -0.01 0.03 -0.04 2.98 2.99 2z81A1 TYR 97 HD2 0.04 0.00 -0.04 -0.04 7.15 7.11 2z81A1 TYR 97 HE2 0.02 -0.01 -0.01 -0.04 6.85 6.81 2z81A1 SER 98 H 0.12 0.10 -0.33 -0.55 8.46 7.80 2z81A1 SER 98 HA -0.12 0.22 0.92 -0.75 4.49 4.76 2z81A1 SER 98 HB2 0.01 -0.01 0.17 -0.04 3.95 4.08 2z81A1 SER 98 HB3 0.06 -0.06 0.04 -0.04 3.93 3.92 2z81A1 LEU 99 H 0.06 0.47 -0.37 -0.55 8.37 7.98 2z81A1 LEU 99 HA 0.01 0.23 0.72 -0.75 4.35 4.55 2z81A1 LEU 99 HB2 0.04 0.10 0.12 -0.04 1.64 1.86 2z81A1 LEU 99 HB3 -0.01 -0.05 0.14 -0.04 1.64 1.67 2z81A1 LEU 99 HG 0.14 -0.09 -0.08 -0.04 1.64 1.57 2z81A1 LEU 99 HD13 0.02 -0.03 -0.04 -0.04 0.93 0.84 2z81A1 LEU 99 HD23 0.03 0.01 -0.14 -0.04 0.89 0.75 2z81A1 GLY 100 H -0.03 0.31 -0.48 -0.55 8.43 7.68 2z81A1 GLY 100 HA2 -0.01 0.22 0.51 -0.51 4.01 4.22 2z81A1 GLY 100 HA3 -0.03 0.00 0.35 -0.51 4.01 3.82 2z81A1 SER 101 H -0.01 0.14 -0.40 -0.55 8.46 7.65 2z81A1 SER 101 HA 0.00 0.15 0.85 -0.75 4.49 4.74 2z81A1 SER 101 HB2 -0.00 0.12 -0.08 -0.04 3.95 3.94 2z81A1 SER 101 HB3 -0.00 -0.04 0.04 -0.04 3.93 3.89 2z81A1 LEU 102 H -0.00 0.26 -0.23 -0.55 8.37 7.86 2z81A1 LEU 102 HA 0.00 0.06 0.42 -0.75 4.35 4.08 2z81A1 LEU 102 HB2 -0.02 0.01 0.05 -0.04 1.64 1.64 2z81A1 LEU 102 HB3 -0.02 -0.00 -0.01 -0.04 1.64 1.57 2z81A1 LEU 102 HG -0.00 -0.10 -0.32 -0.04 1.64 1.18 2z81A1 LEU 102 HD13 -0.02 -0.03 -0.41 -0.04 0.93 0.43 2z81A1 LEU 102 HD23 -0.16 -0.02 -0.13 -0.04 0.89 0.55 2z81A1 GLU 103 H 0.03 0.62 0.43 -0.55 8.60 9.13 2z81A1 GLU 103 HA 0.04 0.30 0.90 -0.75 4.29 4.78 2z81A1 GLU 103 HB2 0.04 0.02 0.20 -0.04 2.09 2.32 2z81A1 GLU 103 HB3 0.05 -0.13 0.15 -0.04 1.99 2.02 2z81A1 GLU 103 HG2 0.02 0.22 0.02 -0.04 2.34 2.56 2z81A1 GLU 103 HG3 0.02 0.24 -0.11 -0.04 2.34 2.43 2z81A1 HIS 104 H 0.11 0.38 0.33 -0.55 8.41 8.69 2z81A1 HIS 104 HA 0.13 0.20 1.08 -0.75 4.63 5.28 2z81A1 HIS 104 HB2 -0.04 0.06 -0.04 -0.04 3.26 3.21 2z81A1 HIS 104 HB3 -0.03 -0.07 0.26 -0.04 3.20 3.32 2z81A1 HIS 104 HD2 -0.40 0.05 -0.03 -0.04 6.97 6.55 2z81A1 HIS 104 HE1 -0.10 -0.07 -0.11 -0.04 7.75 7.42 2z81A1 LEU 105 H -0.01 0.71 0.29 -0.55 8.37 8.81 2z81A1 LEU 105 HA 0.04 0.29 1.04 -0.75 4.35 4.97 2z81A1 LEU 105 HB2 -0.09 0.06 -0.08 -0.04 1.64 1.48 2z81A1 LEU 105 HB3 -0.02 0.02 0.18 -0.04 1.64 1.78 2z81A1 LEU 105 HG -0.03 -0.11 -0.27 -0.04 1.64 1.19 2z81A1 LEU 105 HD13 -0.21 0.02 -0.04 -0.04 0.93 0.66 2z81A1 LEU 105 HD23 -0.21 0.01 -0.09 -0.04 0.89 0.56 2z81A1 ASP 106 H 0.10 0.61 0.31 -0.55 8.40 8.86 2z81A1 ASP 106 HA 0.07 0.10 1.11 -0.75 4.63 5.16 2z81A1 ASP 106 HB2 0.29 0.07 0.02 -0.04 2.71 3.05 2z81A1 ASP 106 HB3 0.14 -0.14 0.31 -0.04 2.70 2.97 2z81A1 LEU 107 H 0.03 0.68 0.25 -0.55 8.37 8.78 2z81A1 LEU 107 HA -0.01 0.16 0.68 -0.75 4.35 4.42 2z81A1 LEU 107 HB2 0.08 0.09 0.08 -0.04 1.64 1.84 2z81A1 LEU 107 HB3 0.02 -0.03 0.13 -0.04 1.64 1.72 2z81A1 LEU 107 HG -0.01 -0.06 -0.34 -0.04 1.64 1.19 2z81A1 LEU 107 HD13 0.02 0.00 -0.09 -0.04 0.93 0.82 2z81A1 LEU 107 HD23 -0.04 0.01 -0.07 -0.04 0.89 0.75 2z81A1 SER 108 H 0.02 -0.07 -0.12 -0.55 8.46 7.74 2z81A1 SER 108 HA 0.02 0.21 0.24 -0.75 4.49 4.20 2z81A1 SER 108 HB2 -0.00 0.10 0.02 -0.04 3.95 4.03 2z81A1 SER 108 HB3 0.02 -0.13 0.01 -0.04 3.93 3.78 2z81A1 ASP 109 H -0.01 0.50 0.27 -0.55 8.40 8.61 2z81A1 ASP 109 HA -0.01 0.28 0.44 -0.75 4.63 4.59 2z81A1 ASP 109 HB2 -0.08 -0.05 -0.02 -0.04 2.71 2.51 2z81A1 ASP 109 HB3 -0.03 0.05 0.27 -0.04 2.70 2.94 2z81A1 ASN 110 H 0.01 0.05 -0.20 -0.55 8.53 7.85 2z81A1 ASN 110 HA -0.16 0.34 0.92 -0.75 4.76 5.10 2z81A1 ASN 110 HB2 0.00 0.05 0.06 -0.04 2.88 2.95 2z81A1 ASN 110 HB3 -0.05 -0.00 0.23 -0.04 2.79 2.92 2z81A1 ASN 110 HD21 -0.08 0.37 -0.06 -0.04 7.03 7.22 2z81A1 ASN 110 HD22 -0.04 0.31 -0.29 -0.04 7.74 7.69 2z81A1 HIS 111 H -0.00 0.56 0.07 -0.55 8.41 8.50 2z81A1 HIS 111 HA 0.03 0.19 0.91 -0.75 4.63 5.00 2z81A1 HIS 111 HB2 0.03 0.07 -0.20 -0.04 3.26 3.13 2z81A1 HIS 111 HB3 0.04 -0.07 0.15 -0.04 3.20 3.28 2z81A1 HIS 111 HD2 0.01 0.25 -0.45 -0.04 6.97 6.73 2z81A1 HIS 111 HE1 0.02 -0.02 -0.06 -0.04 7.75 7.65 2z81A1 LEU 112 H 0.15 0.08 -0.19 -0.55 8.37 7.87 2z81A1 LEU 112 HA 0.20 0.13 0.60 -0.75 4.35 4.53 2z81A1 LEU 112 HB2 0.25 -0.02 0.09 -0.04 1.64 1.92 2z81A1 LEU 112 HB3 0.37 0.00 -0.08 -0.04 1.64 1.90 2z81A1 LEU 112 HG 0.37 0.01 -0.04 -0.04 1.64 1.94 2z81A1 LEU 112 HD13 0.08 0.08 -0.34 -0.04 0.93 0.71 2z81A1 LEU 112 HD23 0.04 -0.00 -0.04 -0.04 0.89 0.84 2z81A1 SER 113 H 0.17 0.26 0.23 -0.55 8.46 8.57 2z81A1 SER 113 HA 0.18 0.13 0.34 -0.75 4.49 4.39 2z81A1 SER 113 HB2 0.09 -0.00 0.09 -0.04 3.95 4.09 2z81A1 SER 113 HB3 0.09 0.06 -0.03 -0.04 3.93 4.00 2z81A1 SER 114 H 0.20 0.20 -0.06 -0.55 8.46 8.26 2z81A1 SER 114 HA 0.07 0.10 0.70 -0.75 4.49 4.61 2z81A1 SER 114 HB2 0.05 0.05 -0.14 -0.04 3.95 3.86 2z81A1 SER 114 HB3 0.05 -0.01 0.01 -0.04 3.93 3.94 2z81A1 LEU 115 H -0.11 0.19 0.08 -0.55 8.37 7.99 2z81A1 LEU 115 HA -0.29 0.17 0.91 -0.75 4.35 4.39 2z81A1 LEU 115 HB2 -0.20 0.15 0.04 -0.04 1.64 1.59 2z81A1 LEU 115 HB3 -0.02 0.03 0.01 -0.04 1.64 1.61 2z81A1 LEU 115 HG -0.30 -0.06 -0.20 -0.04 1.64 1.05 2z81A1 LEU 115 HD13 -0.59 -0.00 -0.01 -0.04 0.93 0.28 2z81A1 LEU 115 HD23 0.33 0.04 -0.14 -0.04 0.89 1.08 2z81A1 SER 116 H -2.11 0.22 0.15 -0.55 8.46 6.17 2z81A1 SER 116 HA -0.55 0.19 1.03 -0.75 4.49 4.41 2z81A1 SER 116 HB2 -0.80 0.08 -0.02 -0.04 3.95 3.16 2z81A1 SER 116 HB3 -2.42 0.06 0.13 -0.04 3.93 1.66 2z81A1 SER 117 H -0.29 0.19 0.14 -0.55 8.46 7.96 2z81A1 SER 117 HA -0.03 0.15 0.44 -0.75 4.49 4.30 2z81A1 SER 117 HB2 -0.07 0.14 0.05 -0.04 3.95 4.03 2z81A1 SER 117 HB3 -0.14 0.11 -0.10 -0.04 3.93 3.76 2z81A1 SER 118 H -0.30 -0.03 -0.30 -0.55 8.46 7.29 2z81A1 SER 118 HA -0.03 0.09 0.38 -0.75 4.49 4.18 2z81A1 SER 118 HB2 -0.19 -0.08 0.08 -0.04 3.95 3.72 2z81A1 SER 118 HB3 -0.02 0.10 -0.03 -0.04 3.93 3.94 2z81A1 TRP 119 H -0.39 0.20 -0.25 -0.55 7.97 6.98 2z81A1 TRP 119 HA -0.12 0.06 0.37 -0.75 4.62 4.18 2z81A1 TRP 119 HB2 -1.14 0.07 0.07 -0.04 3.23 2.19 2z81A1 TRP 119 HB3 -0.13 -0.02 -0.03 -0.04 3.23 3.01 2z81A1 TRP 119 HD1 -0.29 0.10 -0.08 -0.04 7.22 6.92 2z81A1 TRP 119 HE1 -0.21 0.32 -0.34 -0.04 10.20 9.93 2z81A1 TRP 119 HE3 -0.36 0.09 0.02 -0.04 7.59 7.30 2z81A1 TRP 119 HZ2 -0.08 -0.02 0.05 -0.04 7.44 7.35 2z81A1 TRP 119 HZ3 0.07 0.04 0.05 -0.04 7.13 7.25 2z81A1 TRP 119 HH2 0.01 0.17 0.10 -0.04 7.19 7.44 2z81A1 PHE 120 H -0.08 0.20 -0.24 -0.55 8.34 7.67 2z81A1 PHE 120 HA 0.20 0.13 0.64 -0.75 4.62 4.83 2z81A1 PHE 120 HB2 0.09 0.24 0.10 -0.04 3.15 3.54 2z81A1 PHE 120 HB3 0.15 -0.01 0.06 -0.04 3.06 3.22 2z81A1 PHE 120 HD2 0.07 0.08 -0.02 -0.04 7.28 7.36 2z81A1 PHE 120 HE2 0.13 -0.05 -0.09 -0.04 7.38 7.33 2z81A1 PHE 120 HZ 0.40 -0.05 -0.06 -0.04 7.32 7.56 2z81A1 GLY 121 H 0.15 0.23 -0.19 -0.55 8.43 8.07 2z81A1 GLY 121 HA2 0.12 -0.03 0.29 -0.51 4.01 3.88 2z81A1 GLY 121 HA3 0.11 -0.01 0.27 -0.51 4.01 3.86 2z81A1 PRO 122 HA 0.05 0.14 0.70 -0.51 4.44 4.82 2z81A1 PRO 122 HB2 -0.02 0.09 0.04 -0.04 2.28 2.35 2z81A1 PRO 122 HB3 0.04 -0.06 0.03 -0.04 2.02 2.00 2z81A1 PRO 122 HG2 0.18 0.15 -0.27 -0.04 2.03 2.04 2z81A1 PRO 122 HG3 0.22 -0.15 -0.30 -0.04 2.03 1.77 2z81A1 PRO 122 HD2 0.19 0.15 -0.48 -0.04 3.68 3.51 2z81A1 PRO 122 HD3 0.17 0.04 -0.04 -0.04 3.65 3.78 2z81A1 LEU 123 H 0.15 0.51 -0.43 -0.55 8.37 8.04 2z81A1 LEU 123 HA 0.05 0.21 0.66 -0.75 4.35 4.51 2z81A1 LEU 123 HB2 0.17 0.05 0.16 -0.04 1.64 1.98 2z81A1 LEU 123 HB3 0.07 -0.05 0.09 -0.04 1.64 1.71 2z81A1 LEU 123 HG 0.18 0.07 -0.02 -0.04 1.64 1.83 2z81A1 LEU 123 HD13 0.12 -0.05 -0.06 -0.04 0.93 0.91 2z81A1 LEU 123 HD23 0.02 -0.00 -0.13 -0.04 0.89 0.74 2z81A1 SER 124 H 0.03 0.37 -0.14 -0.55 8.46 8.18 2z81A1 SER 124 HA 0.04 0.15 0.41 -0.75 4.49 4.35 2z81A1 SER 124 HB2 0.02 -0.05 0.13 -0.04 3.95 4.01 2z81A1 SER 124 HB3 0.02 -0.00 0.11 -0.04 3.93 4.02 2z81A1 SER 125 H 0.02 0.16 -0.23 -0.55 8.46 7.86 2z81A1 SER 125 HA 0.02 0.10 0.70 -0.75 4.49 4.55 2z81A1 SER 125 HB2 0.01 0.09 -0.34 -0.04 3.95 3.67 2z81A1 SER 125 HB3 0.01 -0.08 0.01 -0.04 3.93 3.83 2z81A1 LEU 126 H 0.03 0.24 -0.40 -0.55 8.37 7.70 2z81A1 LEU 126 HA 0.03 0.00 0.37 -0.75 4.35 4.00 2z81A1 LEU 126 HB2 0.05 0.08 0.04 -0.04 1.64 1.77 2z81A1 LEU 126 HB3 0.02 -0.04 -0.02 -0.04 1.64 1.55 2z81A1 LEU 126 HG -0.01 -0.06 -0.24 -0.04 1.64 1.30 2z81A1 LEU 126 HD13 0.01 -0.03 -0.36 -0.04 0.93 0.50 2z81A1 LEU 126 HD23 0.03 -0.03 -0.10 -0.04 0.89 0.75 2z81A1 LYS 127 H 0.04 0.51 0.46 -0.55 8.42 8.88 2z81A1 LYS 127 HA 0.01 0.30 0.95 -0.75 4.32 4.82 2z81A1 LYS 127 HB2 0.06 0.02 0.22 -0.04 1.87 2.12 2z81A1 LYS 127 HB3 0.04 -0.13 0.16 -0.04 1.79 1.81 2z81A1 LYS 127 HG2 0.02 0.16 0.01 -0.04 1.46 1.60 2z81A1 LYS 127 HG3 0.03 0.24 0.02 -0.04 1.46 1.71 2z81A1 LYS 127 HD2 0.03 -0.07 0.06 -0.04 1.69 1.66 2z81A1 LYS 127 HD3 0.02 -0.07 0.05 -0.04 1.68 1.64 2z81A1 LYS 127 HE2 0.01 0.03 0.03 -0.04 2.99 3.02 2z81A1 LYS 127 HE3 0.01 0.08 0.04 -0.04 2.99 3.09 2z81A1 TYR 128 H 0.08 0.54 0.44 -0.55 8.29 8.80 2z81A1 TYR 128 HA -0.12 0.19 1.11 -0.75 4.56 4.99 2z81A1 TYR 128 HB2 -0.07 0.04 0.02 -0.04 3.06 3.02 2z81A1 TYR 128 HB3 -0.21 -0.03 0.27 -0.04 2.98 2.96 2z81A1 TYR 128 HD2 -0.48 -0.04 -0.15 -0.04 7.15 6.44 2z81A1 TYR 128 HE2 -0.17 -0.04 -0.11 -0.04 6.85 6.48 2z81A1 LEU 129 H -0.58 0.63 0.31 -0.55 8.37 8.19 2z81A1 LEU 129 HA -0.21 0.28 1.03 -0.75 4.35 4.70 2z81A1 LEU 129 HB2 -0.17 0.07 -0.11 -0.04 1.64 1.39 2z81A1 LEU 129 HB3 -0.31 0.03 0.17 -0.04 1.64 1.49 2z81A1 LEU 129 HG -0.18 -0.11 -0.26 -0.04 1.64 1.04 2z81A1 LEU 129 HD13 0.08 0.02 -0.03 -0.04 0.93 0.95 2z81A1 LEU 129 HD23 -0.45 0.01 -0.08 -0.04 0.89 0.33 2z81A1 ASN 130 H -0.17 0.58 0.38 -0.55 8.53 8.77 2z81A1 ASN 130 HA -0.24 0.13 1.13 -0.75 4.76 5.03 2z81A1 ASN 130 HB2 -0.22 0.07 0.02 -0.04 2.88 2.71 2z81A1 ASN 130 HB3 0.02 -0.16 0.30 -0.04 2.79 2.92 2z81A1 ASN 130 HD21 0.04 0.03 -0.02 -0.04 7.03 7.04 2z81A1 ASN 130 HD22 0.17 0.04 -0.01 -0.04 7.74 7.90 2z81A1 LEU 131 H -0.05 0.82 0.36 -0.55 8.37 8.96 2z81A1 LEU 131 HA 0.12 0.15 0.74 -0.75 4.35 4.61 2z81A1 LEU 131 HB2 0.10 0.07 0.14 -0.04 1.64 1.91 2z81A1 LEU 131 HB3 0.25 -0.03 0.16 -0.04 1.64 1.98 2z81A1 LEU 131 HG 0.06 -0.04 -0.32 -0.04 1.64 1.29 2z81A1 LEU 131 HD13 0.13 0.01 -0.06 -0.04 0.93 0.96 2z81A1 LEU 131 HD23 0.37 0.01 -0.06 -0.04 0.89 1.18 2z81A1 MET 132 H -0.01 0.01 -0.03 -0.55 8.47 7.89 2z81A1 MET 132 HA -0.04 0.22 0.47 -0.75 4.52 4.41 2z81A1 MET 132 HB2 -0.06 -0.05 -0.10 -0.04 2.15 1.90 2z81A1 MET 132 HB3 -0.04 -0.01 -0.07 -0.04 2.03 1.86 2z81A1 MET 132 HG2 -0.11 -0.03 -0.13 -0.04 2.63 2.32 2z81A1 MET 132 HG3 -0.12 0.07 -0.40 -0.04 2.56 2.08 2z81A1 MET 132 HE3 -0.03 0.00 -0.08 -0.04 2.10 1.94 2z81A1 GLY 133 H -0.12 0.61 0.42 -0.55 8.43 8.79 2z81A1 GLY 133 HA2 -0.07 -0.05 0.44 -0.51 4.01 3.82 2z81A1 GLY 133 HA3 -0.04 0.01 0.64 -0.51 4.01 4.12 2z81A1 ASN 134 H -0.17 0.22 -0.03 -0.55 8.53 8.00 2z81A1 ASN 134 HA 0.01 0.37 0.80 -0.75 4.76 5.19 2z81A1 ASN 134 HB2 0.13 0.03 0.10 -0.04 2.88 3.10 2z81A1 ASN 134 HB3 0.18 0.32 0.05 -0.04 2.79 3.29 2z81A1 ASN 134 HD21 0.09 0.53 -0.03 -0.04 7.03 7.58 2z81A1 ASN 134 HD22 0.15 0.21 -0.24 -0.04 7.74 7.82 2z81A1 PRO 135 HA -0.11 0.01 0.42 -0.51 4.44 4.25 2z81A1 PRO 135 HB2 0.01 0.00 0.13 -0.04 2.28 2.38 2z81A1 PRO 135 HB3 -0.02 -0.01 0.03 -0.04 2.02 1.99 2z81A1 PRO 135 HG2 0.07 0.01 -0.41 -0.04 2.03 1.66 2z81A1 PRO 135 HG3 0.02 0.05 -0.07 -0.04 2.03 1.99 2z81A1 PRO 135 HD2 0.09 0.01 -0.13 -0.04 3.68 3.61 2z81A1 PRO 135 HD3 0.05 0.29 0.18 -0.04 3.65 4.13 2z81A1 TYR 136 H -0.55 0.24 -0.36 -0.55 8.29 7.07 2z81A1 TYR 136 HA 0.09 0.25 0.68 -0.75 4.56 4.82 2z81A1 TYR 136 HB2 0.12 0.04 0.01 -0.04 3.06 3.19 2z81A1 TYR 136 HB3 0.11 -0.04 -0.38 -0.04 2.98 2.63 2z81A1 TYR 136 HD2 0.24 0.03 -0.31 -0.04 7.15 7.07 2z81A1 TYR 136 HE2 -0.14 0.01 0.00 -0.04 6.85 6.67 2z81A1 GLN 137 H 0.20 0.17 0.22 -0.55 8.47 8.51 2z81A1 GLN 137 HA 0.13 0.26 0.55 -0.75 4.36 4.55 2z81A1 GLN 137 HB2 0.05 -0.05 0.11 -0.04 2.15 2.22 2z81A1 GLN 137 HB3 0.01 -0.03 0.14 -0.04 2.02 2.11 2z81A1 GLN 137 HG2 0.05 0.10 -0.04 -0.04 2.40 2.47 2z81A1 GLN 137 HG3 0.06 0.02 0.07 -0.04 2.39 2.51 2z81A1 GLN 137 HE21 0.01 -0.02 0.02 -0.04 6.97 6.94 2z81A1 GLN 137 HE22 0.02 0.03 0.02 -0.04 7.69 7.72 2z81A1 THR 138 H 0.23 0.24 0.15 -0.55 8.28 8.35 2z81A1 THR 138 HA 0.04 0.25 0.65 -0.75 4.39 4.57 2z81A1 THR 138 HB -0.06 0.01 0.18 -0.04 4.32 4.41 2z81A1 THR 138 HG23 -0.09 0.01 -0.18 -0.04 1.22 0.93 2z81A1 LEU 139 H 0.06 0.20 0.17 -0.55 8.37 8.26 2z81A1 LEU 139 HA -0.21 0.12 0.56 -0.75 4.35 4.07 2z81A1 LEU 139 HB2 -0.11 -0.00 0.09 -0.04 1.64 1.58 2z81A1 LEU 139 HB3 -0.20 0.05 0.14 -0.04 1.64 1.59 2z81A1 LEU 139 HG 0.21 -0.04 0.03 -0.04 1.64 1.80 2z81A1 LEU 139 HD13 -0.02 0.00 0.00 -0.04 0.93 0.87 2z81A1 LEU 139 HD23 -0.15 0.00 -0.06 -0.04 0.89 0.65 2z81A1 GLY 140 H -0.06 -0.07 -0.37 -0.55 8.43 7.39 2z81A1 GLY 140 HA2 -0.08 0.02 0.29 -0.51 4.01 3.73 2z81A1 GLY 140 HA3 -0.13 0.27 0.84 -0.51 4.01 4.48 2z81A1 VAL 141 H -0.10 0.16 0.14 -0.55 8.24 7.89 2z81A1 VAL 141 HA -0.09 0.12 0.52 -0.75 4.13 3.93 2z81A1 VAL 141 HB -0.07 0.03 0.03 -0.04 2.12 2.06 2z81A1 VAL 141 HG13 -0.06 0.01 0.09 -0.04 0.97 0.97 2z81A1 VAL 141 HG23 -0.06 -0.00 0.02 -0.04 0.95 0.87 2z81A1 THR 142 H -0.13 0.13 -0.27 -0.55 8.28 7.47 2z81A1 THR 142 HA -0.10 0.20 0.95 -0.75 4.39 4.69 2z81A1 THR 142 HB -0.14 -0.08 0.01 -0.04 4.32 4.07 2z81A1 THR 142 HG23 -0.09 0.07 -0.06 -0.04 1.22 1.10 2z81A1 SER 143 H -0.10 0.12 0.06 -0.55 8.46 7.99 2z81A1 SER 143 HA -0.21 0.06 0.31 -0.75 4.49 3.89 2z81A1 SER 143 HB2 -0.08 -0.04 0.10 -0.04 3.95 3.89 2z81A1 SER 143 HB3 -0.09 0.10 0.02 -0.04 3.93 3.91 2z81A1 LEU 144 H -0.59 0.16 0.21 -0.55 8.37 7.61 2z81A1 LEU 144 HA -0.21 0.09 0.68 -0.75 4.35 4.15 2z81A1 LEU 144 HB2 -1.97 0.03 0.08 -0.04 1.64 -0.26 2z81A1 LEU 144 HB3 -0.50 -0.03 0.01 -0.04 1.64 1.09 2z81A1 LEU 144 HG -0.39 0.11 0.05 -0.04 1.64 1.37 2z81A1 LEU 144 HD13 -0.24 0.01 0.02 -0.04 0.93 0.68 2z81A1 LEU 144 HD23 -0.11 0.00 -0.28 -0.04 0.89 0.46 2z81A1 PHE 145 H -0.43 0.12 -0.04 -0.55 8.34 7.43 2z81A1 PHE 145 HA -0.03 0.24 1.01 -0.75 4.62 5.09 2z81A1 PHE 145 HB2 -0.01 0.11 -0.08 -0.04 3.15 3.13 2z81A1 PHE 145 HB3 -0.07 0.04 0.06 -0.04 3.06 3.04 2z81A1 PHE 145 HD2 -0.22 0.12 -0.08 -0.04 7.28 7.06 2z81A1 PHE 145 HE2 -0.34 -0.01 -0.06 -0.04 7.38 6.93 2z81A1 PHE 145 HZ -0.15 -0.07 -0.05 -0.04 7.32 7.01 2z81A1 PRO 146 HA 0.07 0.12 0.37 -0.51 4.44 4.48 2z81A1 PRO 146 HB2 0.03 0.02 -0.07 -0.04 2.28 2.21 2z81A1 PRO 146 HB3 0.02 0.01 -0.10 -0.04 2.02 1.91 2z81A1 PRO 146 HG2 0.02 0.02 -0.11 -0.04 2.03 1.92 2z81A1 PRO 146 HG3 -0.01 -0.01 -0.09 -0.04 2.03 1.88 2z81A1 PRO 146 HD2 -0.04 0.14 -0.67 -0.04 3.68 3.06 2z81A1 PRO 146 HD3 -0.04 0.03 -0.18 -0.04 3.65 3.41 2z81A1 ASN 147 H 0.08 0.08 -0.48 -0.55 8.53 7.67 2z81A1 ASN 147 HA 0.05 0.13 0.60 -0.75 4.76 4.79 2z81A1 ASN 147 HB2 0.11 0.08 -0.13 -0.04 2.88 2.90 2z81A1 ASN 147 HB3 0.07 0.09 0.10 -0.04 2.79 3.01 2z81A1 ASN 147 HD21 0.05 -0.10 -0.02 -0.04 7.03 6.92 2z81A1 ASN 147 HD22 0.06 0.20 0.07 -0.04 7.74 8.03 2z81A1 LEU 148 H 0.10 0.33 -0.36 -0.55 8.37 7.90 2z81A1 LEU 148 HA 0.06 0.22 0.57 -0.75 4.35 4.45 2z81A1 LEU 148 HB2 0.06 0.07 0.18 -0.04 1.64 1.91 2z81A1 LEU 148 HB3 0.02 -0.02 0.13 -0.04 1.64 1.72 2z81A1 LEU 148 HG 0.15 -0.09 -0.03 -0.04 1.64 1.63 2z81A1 LEU 148 HD13 0.02 -0.04 -0.04 -0.04 0.93 0.83 2z81A1 LEU 148 HD23 0.13 0.01 -0.07 -0.04 0.89 0.93 2z81A1 THR 149 H 0.04 0.47 -0.11 -0.55 8.28 8.13 2z81A1 THR 149 HA 0.02 0.07 0.33 -0.75 4.39 4.06 2z81A1 THR 149 HB 0.02 0.04 0.07 -0.04 4.32 4.41 2z81A1 THR 149 HG23 0.02 -0.02 0.09 -0.04 1.22 1.27 2z81A1 ASN 150 H 0.02 0.15 -0.30 -0.55 8.53 7.86 2z81A1 ASN 150 HA 0.01 0.14 0.92 -0.75 4.76 5.08 2z81A1 ASN 150 HB2 0.01 0.16 -0.08 -0.04 2.88 2.94 2z81A1 ASN 150 HB3 0.01 -0.08 0.09 -0.04 2.79 2.76 2z81A1 ASN 150 HD21 0.01 -0.14 0.00 -0.04 7.03 6.87 2z81A1 ASN 150 HD22 0.02 0.45 0.20 -0.04 7.74 8.37 2z81A1 LEU 151 H -0.01 0.32 -0.16 -0.55 8.37 7.98 2z81A1 LEU 151 HA -0.03 0.01 0.45 -0.75 4.35 4.02 2z81A1 LEU 151 HB2 -0.05 0.07 0.11 -0.04 1.64 1.72 2z81A1 LEU 151 HB3 -0.07 0.00 0.05 -0.04 1.64 1.58 2z81A1 LEU 151 HG -0.15 -0.09 -0.26 -0.04 1.64 1.10 2z81A1 LEU 151 HD13 -0.13 -0.01 -0.29 -0.04 0.93 0.46 2z81A1 LEU 151 HD23 -0.30 -0.03 -0.10 -0.04 0.89 0.42 2z81A1 GLN 152 H -0.03 0.57 0.52 -0.55 8.47 8.98 2z81A1 GLN 152 HA -0.01 0.18 1.10 -0.75 4.36 4.87 2z81A1 GLN 152 HB2 0.02 0.03 0.22 -0.04 2.15 2.38 2z81A1 GLN 152 HB3 0.01 -0.16 0.17 -0.04 2.02 2.01 2z81A1 GLN 152 HG2 0.01 0.05 -0.03 -0.04 2.40 2.38 2z81A1 GLN 152 HG3 0.01 0.24 0.12 -0.04 2.39 2.72 2z81A1 GLN 152 HE21 0.01 -0.07 0.03 -0.04 6.97 6.90 2z81A1 GLN 152 HE22 0.01 0.07 0.02 -0.04 7.69 7.75 2z81A1 THR 153 H -0.07 0.51 0.48 -0.55 8.28 8.65 2z81A1 THR 153 HA -0.11 0.32 1.18 -0.75 4.39 5.03 2z81A1 THR 153 HB 0.00 -0.06 0.25 -0.04 4.32 4.47 2z81A1 THR 153 HG23 -0.13 -0.02 -0.14 -0.04 1.22 0.90 2z81A1 LEU 154 H -0.21 0.65 0.37 -0.55 8.37 8.64 2z81A1 LEU 154 HA -0.36 0.30 1.08 -0.75 4.35 4.62 2z81A1 LEU 154 HB2 -0.37 0.07 -0.11 -0.04 1.64 1.19 2z81A1 LEU 154 HB3 -0.28 -0.01 0.14 -0.04 1.64 1.45 2z81A1 LEU 154 HG -0.27 -0.08 -0.27 -0.04 1.64 0.98 2z81A1 LEU 154 HD13 -0.54 0.02 0.00 -0.04 0.93 0.37 2z81A1 LEU 154 HD23 -0.66 0.00 -0.09 -0.04 0.89 0.10 2z81A1 ARG 155 H -0.27 0.54 0.42 -0.55 8.46 8.59 2z81A1 ARG 155 HA -0.13 0.28 1.10 -0.75 4.34 4.84 2z81A1 ARG 155 HB2 -0.15 -0.18 0.26 -0.04 1.90 1.78 2z81A1 ARG 155 HB3 -0.09 0.01 0.09 -0.04 1.80 1.77 2z81A1 ARG 155 HG2 -0.14 0.07 -0.13 -0.04 1.67 1.44 2z81A1 ARG 155 HG3 -0.27 0.02 -0.23 -0.04 1.67 1.14 2z81A1 ARG 155 HD2 -0.04 -0.07 -0.03 -0.04 3.22 3.04 2z81A1 ARG 155 HD3 -0.03 0.01 -0.04 -0.04 3.22 3.11 2z81A1 ILE 156 H -0.08 0.72 0.38 -0.55 8.25 8.73 2z81A1 ILE 156 HA 0.00 0.08 0.73 -0.75 4.18 4.24 2z81A1 ILE 156 HB -0.07 -0.04 0.05 -0.04 1.89 1.78 2z81A1 ILE 156 HG12 0.01 0.12 -0.00 -0.04 1.49 1.57 2z81A1 ILE 156 HG13 -0.13 -0.08 -0.17 -0.04 1.21 0.79 2z81A1 ILE 156 HG23 0.02 0.00 -0.23 -0.04 0.93 0.68 2z81A1 ILE 156 HD13 0.20 0.00 -0.11 -0.04 0.88 0.94 2z81A1 GLY 157 H -0.03 0.19 0.13 -0.55 8.43 8.17 2z81A1 GLY 157 HA2 -0.81 0.06 0.42 -0.51 4.01 3.17 2z81A1 GLY 157 HA3 -0.38 0.28 1.01 -0.51 4.01 4.41 2z81A1 ASN 158 H -0.07 0.61 0.38 -0.55 8.53 8.90 2z81A1 ASN 158 HA -0.12 0.04 0.53 -0.75 4.76 4.46 2z81A1 ASN 158 HB2 -0.09 -0.08 0.11 -0.04 2.88 2.78 2z81A1 ASN 158 HB3 -0.21 0.19 -0.01 -0.04 2.79 2.72 2z81A1 ASN 158 HD21 -0.10 0.25 -0.03 -0.04 7.03 7.11 2z81A1 ASN 158 HD22 -0.46 0.59 0.09 -0.04 7.74 7.92 2z81A1 VAL 159 H -0.04 0.17 0.14 -0.55 8.24 7.96 2z81A1 VAL 159 HA 0.00 0.07 0.56 -0.75 4.13 4.01 2z81A1 VAL 159 HB -0.01 -0.00 0.13 -0.04 2.12 2.20 2z81A1 VAL 159 HG13 0.02 0.03 -0.14 -0.04 0.97 0.84 2z81A1 VAL 159 HG23 -0.03 0.01 0.01 -0.04 0.95 0.90 2z81A1 GLU 160 H 0.00 0.02 0.01 -0.55 8.60 8.08 2z81A1 GLU 160 HA 0.03 0.32 0.88 -0.75 4.29 4.76 2z81A1 GLU 160 HB2 0.01 0.01 -0.02 -0.04 2.09 2.05 2z81A1 GLU 160 HB3 0.01 0.07 0.04 -0.04 1.99 2.08 2z81A1 GLU 160 HG2 0.02 0.07 -0.12 -0.04 2.34 2.26 2z81A1 GLU 160 HG3 0.01 -0.14 -0.03 -0.04 2.34 2.13 2z81A1 THR 161 H 0.03 -0.10 -0.11 -0.55 8.28 7.54 2z81A1 THR 161 HA 0.04 0.36 1.14 -0.75 4.39 5.17 2z81A1 THR 161 HB 0.04 0.01 -0.18 -0.04 4.32 4.15 2z81A1 THR 161 HG23 0.01 -0.01 -0.22 -0.04 1.22 0.97 2z81A1 PHE 162 H 0.16 -0.10 -0.04 -0.55 8.34 7.81 2z81A1 PHE 162 HA 0.06 0.11 0.51 -0.75 4.62 4.55 2z81A1 PHE 162 HB2 -0.03 -0.03 0.15 -0.04 3.15 3.20 2z81A1 PHE 162 HB3 0.02 0.01 0.24 -0.04 3.06 3.29 2z81A1 PHE 162 HD2 0.20 0.05 -0.19 -0.04 7.28 7.30 2z81A1 PHE 162 HE2 0.13 -0.09 -0.18 -0.04 7.38 7.20 2z81A1 PHE 162 HZ 0.09 -0.05 -0.05 -0.04 7.32 7.27 2z81A1 SER 163 H -0.21 0.50 0.48 -0.55 8.46 8.69 2z81A1 SER 163 HA -0.12 0.18 0.95 -0.75 4.49 4.75 2z81A1 SER 163 HB2 -0.05 -0.13 0.20 -0.04 3.95 3.93 2z81A1 SER 163 HB3 -0.02 0.17 -0.10 -0.04 3.93 3.93 2z81A1 GLU 164 H -0.62 0.35 0.26 -0.55 8.60 8.05 2z81A1 GLU 164 HA -0.25 0.31 0.93 -0.75 4.29 4.53 2z81A1 GLU 164 HB2 -0.15 0.05 -0.19 -0.04 2.09 1.76 2z81A1 GLU 164 HB3 -0.18 -0.07 0.04 -0.04 1.99 1.73 2z81A1 GLU 164 HG2 -0.16 -0.09 -0.29 -0.04 2.34 1.77 2z81A1 GLU 164 HG3 -0.16 0.10 0.04 -0.04 2.34 2.29 2z81A1 ILE 165 H -0.19 0.60 0.36 -0.55 8.25 8.47 2z81A1 ILE 165 HA -0.06 0.09 0.88 -0.75 4.18 4.34 2z81A1 ILE 165 HB 0.13 -0.04 0.19 -0.04 1.89 2.13 2z81A1 ILE 165 HG12 0.36 0.03 -0.08 -0.04 1.49 1.76 2z81A1 ILE 165 HG13 -0.03 -0.05 -0.34 -0.04 1.21 0.75 2z81A1 ILE 165 HG23 0.22 0.01 -0.14 -0.04 0.93 0.97 2z81A1 ILE 165 HD13 0.34 0.01 -0.12 -0.04 0.88 1.07 2z81A1 ARG 166 H -0.13 0.16 0.16 -0.55 8.46 8.09 2z81A1 ARG 166 HA -0.17 0.22 1.04 -0.75 4.34 4.67 2z81A1 ARG 166 HB2 -0.13 0.02 0.05 -0.04 1.90 1.79 2z81A1 ARG 166 HB3 -0.11 -0.04 0.08 -0.04 1.80 1.69 2z81A1 ARG 166 HG2 -0.12 0.07 -0.11 -0.04 1.67 1.47 2z81A1 ARG 166 HG3 -0.13 -0.05 -0.34 -0.04 1.67 1.12 2z81A1 ARG 166 HD2 -0.09 0.01 -0.04 -0.04 3.22 3.07 2z81A1 ARG 166 HD3 -0.08 0.05 -0.07 -0.04 3.22 3.07 2z81A1 ARG 167 H -0.12 0.20 0.14 -0.55 8.46 8.12 2z81A1 ARG 167 HA -0.06 0.10 0.33 -0.75 4.34 3.96 2z81A1 ARG 167 HB2 -0.07 -0.06 0.09 -0.04 1.90 1.82 2z81A1 ARG 167 HB3 -0.04 0.08 -0.05 -0.04 1.80 1.75 2z81A1 ARG 167 HG2 -0.06 0.04 -0.27 -0.04 1.67 1.33 2z81A1 ARG 167 HG3 -0.11 -0.09 -0.10 -0.04 1.67 1.33 2z81A1 ARG 167 HD2 -0.03 -0.00 -0.03 -0.04 3.22 3.11 2z81A1 ARG 167 HD3 -0.04 0.16 0.00 -0.04 3.22 3.30 2z81A1 ILE 168 H -0.09 0.01 -0.30 -0.55 8.25 7.32 2z81A1 ILE 168 HA -0.05 0.20 0.55 -0.75 4.18 4.11 2z81A1 ILE 168 HB -0.09 -0.02 -0.01 -0.04 1.89 1.73 2z81A1 ILE 168 HG12 -0.10 -0.13 -0.06 -0.04 1.49 1.16 2z81A1 ILE 168 HG13 -0.13 0.04 -0.34 -0.04 1.21 0.74 2z81A1 ILE 168 HG23 -0.06 0.02 -0.02 -0.04 0.93 0.83 2z81A1 ILE 168 HD13 -0.10 0.02 -0.25 -0.04 0.88 0.51 2z81A1 ASP 169 H -0.18 0.26 -0.35 -0.55 8.40 7.59 2z81A1 ASP 169 HA -0.29 -0.01 0.26 -0.75 4.63 3.84 2z81A1 ASP 169 HB2 -0.56 0.21 0.11 -0.04 2.71 2.43 2z81A1 ASP 169 HB3 -0.95 0.02 -0.03 -0.04 2.70 1.69 2z81A1 PHE 170 H -0.07 0.23 -0.25 -0.55 8.34 7.70 2z81A1 PHE 170 HA 0.21 0.21 0.93 -0.75 4.62 5.22 2z81A1 PHE 170 HB2 0.04 0.14 -0.00 -0.04 3.15 3.29 2z81A1 PHE 170 HB3 0.04 0.04 0.06 -0.04 3.06 3.16 2z81A1 PHE 170 HD2 0.05 0.14 -0.18 -0.04 7.28 7.25 2z81A1 PHE 170 HE2 0.06 -0.05 -0.17 -0.04 7.38 7.19 2z81A1 PHE 170 HZ 0.11 -0.05 -0.14 -0.04 7.32 7.20 2z81A1 ALA 171 H 0.03 0.26 -0.28 -0.55 8.40 7.87 2z81A1 ALA 171 HA 0.07 0.07 0.37 -0.75 4.34 4.10 2z81A1 ALA 171 HB3 0.00 -0.00 0.08 -0.04 1.41 1.45 2z81A1 GLY 172 H 0.05 0.16 0.10 -0.55 8.43 8.19 2z81A1 GLY 172 HA2 0.04 -0.00 0.33 -0.51 4.01 3.87 2z81A1 GLY 172 HA3 0.06 0.06 0.59 -0.51 4.01 4.21 2z81A1 LEU 173 H 0.11 0.39 -0.46 -0.55 8.37 7.85 2z81A1 LEU 173 HA 0.04 0.15 0.58 -0.75 4.35 4.35 2z81A1 LEU 173 HB2 0.09 0.08 0.01 -0.04 1.64 1.77 2z81A1 LEU 173 HB3 -0.01 -0.02 -0.16 -0.04 1.64 1.41 2z81A1 LEU 173 HG 0.21 -0.01 -0.25 -0.04 1.64 1.54 2z81A1 LEU 173 HD13 -0.01 -0.04 -0.10 -0.04 0.93 0.74 2z81A1 LEU 173 HD23 0.00 0.02 -0.12 -0.04 0.89 0.76 2z81A1 THR 174 H 0.00 0.18 0.18 -0.55 8.28 8.10 2z81A1 THR 174 HA -0.00 0.17 1.00 -0.75 4.39 4.81 2z81A1 THR 174 HB -0.00 -0.03 0.05 -0.04 4.32 4.29 2z81A1 THR 174 HG23 0.01 0.04 -0.07 -0.04 1.22 1.16 2z81A1 SER 175 H -0.01 0.24 0.21 -0.55 8.46 8.35 2z81A1 SER 175 HA -0.05 0.26 0.99 -0.75 4.49 4.94 2z81A1 SER 175 HB2 0.00 0.03 0.08 -0.04 3.95 4.02 2z81A1 SER 175 HB3 0.00 0.01 -0.01 -0.04 3.93 3.89 2z81A1 LEU 176 H -0.06 0.64 0.26 -0.55 8.37 8.66 2z81A1 LEU 176 HA -0.02 0.28 0.86 -0.75 4.35 4.71 2z81A1 LEU 176 HB2 -0.10 -0.04 -0.06 -0.04 1.64 1.41 2z81A1 LEU 176 HB3 -0.09 -0.01 -0.18 -0.04 1.64 1.32 2z81A1 LEU 176 HG -0.10 -0.02 -0.47 -0.04 1.64 1.02 2z81A1 LEU 176 HD13 -0.20 -0.02 -0.17 -0.04 0.93 0.51 2z81A1 LEU 176 HD23 -0.12 0.08 -0.27 -0.04 0.89 0.54 2z81A1 ASN 177 H 0.02 0.64 0.42 -0.55 8.53 9.07 2z81A1 ASN 177 HA 0.31 0.03 0.77 -0.75 4.76 5.12 2z81A1 ASN 177 HB2 0.03 0.08 0.19 -0.04 2.88 3.14 2z81A1 ASN 177 HB3 0.03 -0.05 0.08 -0.04 2.79 2.80 2z81A1 ASN 177 HD21 -0.00 0.03 -0.02 -0.04 7.03 7.00 2z81A1 ASN 177 HD22 0.14 -0.02 0.02 -0.04 7.74 7.84 2z81A1 GLU 178 H -0.03 0.59 0.37 -0.55 8.60 8.98 2z81A1 GLU 178 HA -0.06 0.31 0.97 -0.75 4.29 4.76 2z81A1 GLU 178 HB2 -0.01 -0.03 -0.09 -0.04 2.09 1.92 2z81A1 GLU 178 HB3 -0.09 -0.11 0.03 -0.04 1.99 1.78 2z81A1 GLU 178 HG2 -0.34 0.07 0.02 -0.04 2.34 2.06 2z81A1 GLU 178 HG3 0.00 0.07 -0.00 -0.04 2.34 2.36 2z81A1 LEU 179 H -0.18 0.71 0.32 -0.55 8.37 8.67 2z81A1 LEU 179 HA -0.19 0.25 0.99 -0.75 4.35 4.65 2z81A1 LEU 179 HB2 -0.21 0.05 -0.08 -0.04 1.64 1.36 2z81A1 LEU 179 HB3 -0.19 -0.03 0.10 -0.04 1.64 1.48 2z81A1 LEU 179 HG -0.21 -0.07 -0.28 -0.04 1.64 1.04 2z81A1 LEU 179 HD13 -0.21 0.03 -0.06 -0.04 0.93 0.65 2z81A1 LEU 179 HD23 -0.50 0.00 -0.12 -0.04 0.89 0.22 2z81A1 GLU 180 H -0.15 0.67 0.41 -0.55 8.60 8.99 2z81A1 GLU 180 HA -0.12 0.27 1.14 -0.75 4.29 4.83 2z81A1 GLU 180 HB2 -0.13 0.02 0.00 -0.04 2.09 1.95 2z81A1 GLU 180 HB3 -0.09 -0.07 0.22 -0.04 1.99 2.00 2z81A1 GLU 180 HG2 0.04 -0.07 -0.25 -0.04 2.34 2.02 2z81A1 GLU 180 HG3 0.09 0.07 -0.05 -0.04 2.34 2.41 2z81A1 ILE 181 H 0.02 0.81 0.36 -0.55 8.25 8.88 2z81A1 ILE 181 HA -0.00 0.21 1.02 -0.75 4.18 4.65 2z81A1 ILE 181 HB 0.08 -0.01 0.14 -0.04 1.89 2.05 2z81A1 ILE 181 HG12 0.13 0.01 -0.17 -0.04 1.49 1.43 2z81A1 ILE 181 HG13 -0.02 -0.03 -0.47 -0.04 1.21 0.65 2z81A1 ILE 181 HG23 0.22 -0.02 -0.25 -0.04 0.93 0.84 2z81A1 ILE 181 HD13 0.08 0.00 -0.14 -0.04 0.88 0.78 2z81A1 LYS 182 H -0.07 0.70 0.32 -0.55 8.42 8.81 2z81A1 LYS 182 HA 0.06 0.05 0.85 -0.75 4.32 4.52 2z81A1 LYS 182 HB2 -0.33 0.03 -0.02 -0.04 1.87 1.51 2z81A1 LYS 182 HB3 -0.17 -0.13 0.05 -0.04 1.79 1.50 2z81A1 LYS 182 HG2 -0.12 0.07 -0.31 -0.04 1.46 1.07 2z81A1 LYS 182 HG3 -0.49 0.04 -0.03 -0.04 1.46 0.94 2z81A1 LYS 182 HD2 -0.18 -0.11 -0.17 -0.04 1.69 1.19 2z81A1 LYS 182 HD3 -0.18 0.00 -0.16 -0.04 1.68 1.30 2z81A1 LYS 182 HE2 -0.74 0.05 -0.09 -0.04 2.99 2.16 2z81A1 LYS 182 HE3 -0.42 0.01 -0.11 -0.04 2.99 2.42 2z81A1 ALA 183 H 0.17 0.62 0.26 -0.55 8.40 8.91 2z81A1 ALA 183 HA 0.30 0.18 0.88 -0.75 4.34 4.94 2z81A1 ALA 183 HB3 0.28 -0.00 -0.02 -0.04 1.41 1.62 2z81A1 LEU 184 H 0.10 0.19 0.05 -0.55 8.37 8.16 2z81A1 LEU 184 HA 0.11 -0.09 0.43 -0.75 4.35 4.04 2z81A1 LEU 184 HB2 0.06 0.19 0.17 -0.04 1.64 2.02 2z81A1 LEU 184 HB3 0.07 0.02 0.10 -0.04 1.64 1.79 2z81A1 LEU 184 HG 0.09 -0.10 -0.02 -0.04 1.64 1.57 2z81A1 LEU 184 HD13 0.04 -0.01 -0.01 -0.04 0.93 0.91 2z81A1 LEU 184 HD23 0.13 -0.01 -0.26 -0.04 0.89 0.70 2z81A1 SER 185 H 0.10 0.09 -0.32 -0.55 8.46 7.79 2z81A1 SER 185 HA 0.07 0.18 0.84 -0.75 4.49 4.82 2z81A1 SER 185 HB2 0.07 -0.05 -0.36 -0.04 3.95 3.56 2z81A1 SER 185 HB3 0.04 0.01 -0.01 -0.04 3.93 3.93 2z81A1 LEU 186 H 0.10 0.27 -0.34 -0.55 8.37 7.85 2z81A1 LEU 186 HA -0.03 -0.02 0.39 -0.75 4.35 3.94 2z81A1 LEU 186 HB2 0.08 0.11 0.11 -0.04 1.64 1.90 2z81A1 LEU 186 HB3 0.11 -0.06 0.04 -0.04 1.64 1.69 2z81A1 LEU 186 HG -0.19 -0.06 -0.35 -0.04 1.64 1.00 2z81A1 LEU 186 HD13 -0.13 0.01 -0.29 -0.04 0.93 0.49 2z81A1 LEU 186 HD23 -0.00 -0.03 -0.15 -0.04 0.89 0.66 2z81A1 ARG 187 H -0.06 0.70 0.47 -0.55 8.46 9.01 2z81A1 ARG 187 HA 0.13 0.14 0.90 -0.75 4.34 4.75 2z81A1 ARG 187 HB2 -0.02 0.09 0.21 -0.04 1.90 2.13 2z81A1 ARG 187 HB3 0.04 -0.08 0.09 -0.04 1.80 1.80 2z81A1 ARG 187 HG2 0.04 -0.04 0.04 -0.04 1.67 1.67 2z81A1 ARG 187 HG3 0.02 0.22 -0.02 -0.04 1.67 1.85 2z81A1 ARG 187 HD2 -0.01 -0.02 0.04 -0.04 3.22 3.19 2z81A1 ARG 187 HD3 0.01 -0.06 0.03 -0.04 3.22 3.16 2z81A1 ASN 188 H -0.17 0.34 0.31 -0.55 8.53 8.46 2z81A1 ASN 188 HA -0.46 0.10 0.56 -0.75 4.76 4.20 2z81A1 ASN 188 HB2 0.01 0.14 -0.19 -0.04 2.88 2.80 2z81A1 ASN 188 HB3 -0.11 -0.06 0.02 -0.04 2.79 2.60 2z81A1 ASN 188 HD21 -0.06 -0.01 -0.17 -0.04 7.03 6.74 2z81A1 ASN 188 HD22 -0.10 -0.06 -0.16 -0.04 7.74 7.38 2z81A1 TYR 189 H -0.98 0.28 0.09 -0.55 8.29 7.13 2z81A1 TYR 189 HA -0.27 0.12 0.92 -0.75 4.56 4.57 2z81A1 TYR 189 HB2 -0.44 0.01 -0.06 -0.04 3.06 2.52 2z81A1 TYR 189 HB3 -0.56 -0.02 0.09 -0.04 2.98 2.44 2z81A1 TYR 189 HD2 0.04 -0.03 -0.15 -0.04 7.15 6.96 2z81A1 TYR 189 HE2 0.08 0.00 -0.21 -0.04 6.85 6.69 2z81A1 GLN 190 H -0.42 0.62 0.22 -0.55 8.47 8.35 2z81A1 GLN 190 HA -0.16 0.08 0.63 -0.75 4.36 4.15 2z81A1 GLN 190 HB2 -0.26 -0.13 0.21 -0.04 2.15 1.94 2z81A1 GLN 190 HB3 -0.16 0.10 0.06 -0.04 2.02 1.98 2z81A1 GLN 190 HG2 -0.11 0.06 0.03 -0.04 2.40 2.33 2z81A1 GLN 190 HG3 -0.16 0.10 0.07 -0.04 2.39 2.35 2z81A1 GLN 190 HE21 -0.08 0.01 0.01 -0.04 6.97 6.88 2z81A1 GLN 190 HE22 -0.08 0.05 -0.02 -0.04 7.69 7.60 2z81A1 SER 191 H -0.06 0.14 0.19 -0.55 8.46 8.19 2z81A1 SER 191 HA 0.07 0.00 0.35 -0.75 4.49 4.15 2z81A1 SER 191 HB2 0.07 0.07 0.07 -0.04 3.95 4.12 2z81A1 SER 191 HB3 0.08 0.02 0.15 -0.04 3.93 4.15 2z81A1 GLN 192 H 0.12 0.17 0.16 -0.55 8.47 8.36 2z81A1 GLN 192 HA 0.06 0.04 0.34 -0.75 4.36 4.05 2z81A1 GLN 192 HB2 -0.01 0.31 0.25 -0.04 2.15 2.65 2z81A1 GLN 192 HB3 0.01 0.01 0.16 -0.04 2.02 2.16 2z81A1 GLN 192 HG2 0.03 0.03 -0.03 -0.04 2.40 2.39 2z81A1 GLN 192 HG3 0.02 -0.05 -0.35 -0.04 2.39 1.96 2z81A1 GLN 192 HE21 0.01 0.01 -0.01 -0.04 6.97 6.94 2z81A1 GLN 192 HE22 0.02 0.03 -0.00 -0.04 7.69 7.70 2z81A1 SER 193 H -0.21 0.38 -0.23 -0.55 8.46 7.85 2z81A1 SER 193 HA 0.00 0.06 0.28 -0.75 4.49 4.08 2z81A1 SER 193 HB2 -0.22 -0.05 -0.05 -0.04 3.95 3.59 2z81A1 SER 193 HB3 0.09 0.02 -0.24 -0.04 3.93 3.76 2z81A1 LEU 194 H 0.28 0.03 -0.18 -0.55 8.37 7.95 2z81A1 LEU 194 HA 0.10 0.12 0.46 -0.75 4.35 4.27 2z81A1 LEU 194 HB2 0.24 -0.12 -0.01 -0.04 1.64 1.71 2z81A1 LEU 194 HB3 0.03 0.20 -0.21 -0.04 1.64 1.61 2z81A1 LEU 194 HG -0.10 0.06 -0.10 -0.04 1.64 1.46 2z81A1 LEU 194 HD13 -0.22 -0.01 -0.13 -0.04 0.93 0.53 2z81A1 LEU 194 HD23 0.08 -0.02 -0.11 -0.04 0.89 0.80 2z81A1 LYS 195 H 0.09 0.00 -0.48 -0.55 8.42 7.47 2z81A1 LYS 195 HA 0.01 0.37 0.44 -0.75 4.32 4.39 2z81A1 LYS 195 HB2 0.05 -0.22 0.14 -0.04 1.87 1.79 2z81A1 LYS 195 HB3 0.03 0.08 0.05 -0.04 1.79 1.90 2z81A1 LYS 195 HG2 0.01 0.04 -0.01 -0.04 1.46 1.46 2z81A1 LYS 195 HG3 0.01 0.05 0.09 -0.04 1.46 1.57 2z81A1 LYS 195 HD2 0.02 -0.09 0.03 -0.04 1.69 1.61 2z81A1 LYS 195 HD3 0.02 -0.01 -0.01 -0.04 1.68 1.63 2z81A1 LYS 195 HE2 0.01 -0.05 0.01 -0.04 2.99 2.93 2z81A1 LYS 195 HE3 0.01 0.02 -0.00 -0.04 2.99 2.98 2z81A1 SER 196 H 0.06 0.14 -0.33 -0.55 8.46 7.79 2z81A1 SER 196 HA 0.02 0.06 0.39 -0.75 4.49 4.20 2z81A1 SER 196 HB2 0.04 -0.05 0.03 -0.04 3.95 3.93 2z81A1 SER 196 HB3 0.04 -0.05 0.03 -0.04 3.93 3.92 2z81A1 ILE 197 H 0.00 0.20 -0.41 -0.55 8.25 7.49 2z81A1 ILE 197 HA -0.01 0.25 0.56 -0.75 4.18 4.22 2z81A1 ILE 197 HB -0.10 0.03 -0.04 -0.04 1.89 1.75 2z81A1 ILE 197 HG12 -0.02 0.11 -0.13 -0.04 1.49 1.40 2z81A1 ILE 197 HG13 -0.02 -0.08 -0.07 -0.04 1.21 1.00 2z81A1 ILE 197 HG23 -0.09 -0.04 -0.38 -0.04 0.93 0.37 2z81A1 ILE 197 HD13 -0.40 -0.04 -0.11 -0.04 0.88 0.29 2z81A1 ARG 198 H -0.03 0.26 0.33 -0.55 8.46 8.47 2z81A1 ARG 198 HA -0.03 0.06 0.44 -0.75 4.34 4.06 2z81A1 ARG 198 HB2 -0.02 -0.04 0.18 -0.04 1.90 1.98 2z81A1 ARG 198 HB3 -0.03 0.15 0.21 -0.04 1.80 2.09 2z81A1 ARG 198 HG2 -0.03 0.00 -0.16 -0.04 1.67 1.44 2z81A1 ARG 198 HG3 -0.02 -0.02 0.04 -0.04 1.67 1.63 2z81A1 ARG 198 HD2 -0.01 -0.05 -0.01 -0.04 3.22 3.11 2z81A1 ARG 198 HD3 -0.01 -0.03 0.02 -0.04 3.22 3.17 2z81A1 ASP 199 H -0.07 0.46 0.24 -0.55 8.40 8.48 2z81A1 ASP 199 HA -0.12 0.29 0.89 -0.75 4.63 4.94 2z81A1 ASP 199 HB2 -0.12 -0.12 0.09 -0.04 2.71 2.52 2z81A1 ASP 199 HB3 -0.25 0.01 0.03 -0.04 2.70 2.45 2z81A1 ILE 200 H -0.17 0.69 -0.01 -0.55 8.25 8.21 2z81A1 ILE 200 HA -0.12 0.25 0.77 -0.75 4.18 4.33 2z81A1 ILE 200 HB -0.11 -0.06 -0.13 -0.04 1.89 1.55 2z81A1 ILE 200 HG12 -0.14 0.03 -0.21 -0.04 1.49 1.12 2z81A1 ILE 200 HG13 -0.12 0.00 -0.83 -0.04 1.21 0.22 2z81A1 ILE 200 HG23 -0.10 -0.05 -0.36 -0.04 0.93 0.38 2z81A1 ILE 200 HD13 -0.17 -0.01 -0.18 -0.04 0.88 0.48 2z81A1 HIS 201 H -0.00 0.55 0.24 -0.55 8.41 8.65 2z81A1 HIS 201 HA 0.02 0.03 0.61 -0.75 4.63 4.54 2z81A1 HIS 201 HB2 0.03 0.23 0.38 -0.04 3.26 3.87 2z81A1 HIS 201 HB3 0.05 -0.06 0.13 -0.04 3.20 3.28 2z81A1 HIS 201 HD2 0.01 -0.01 0.07 -0.04 6.97 7.00 2z81A1 HIS 201 HE1 -0.00 -0.00 -0.05 -0.04 7.75 7.65 2z81A1 HIS 202 H 0.10 0.22 -0.11 -0.55 8.41 8.07 2z81A1 HIS 202 HA -0.11 0.27 0.89 -0.75 4.63 4.93 2z81A1 HIS 202 HB2 0.08 0.05 -0.14 -0.04 3.26 3.22 2z81A1 HIS 202 HB3 -0.02 0.00 0.19 -0.04 3.20 3.33 2z81A1 HIS 202 HD2 -0.68 0.21 -0.24 -0.04 6.97 6.22 2z81A1 HIS 202 HE1 -0.04 -0.04 -0.12 -0.04 7.75 7.51 2z81A1 LEU 203 H -0.05 0.71 0.30 -0.55 8.37 8.79 2z81A1 LEU 203 HA -0.18 0.29 1.07 -0.75 4.35 4.77 2z81A1 LEU 203 HB2 -0.12 0.01 -0.01 -0.04 1.64 1.47 2z81A1 LEU 203 HB3 -0.11 -0.02 0.16 -0.04 1.64 1.64 2z81A1 LEU 203 HG -0.12 -0.07 -0.32 -0.04 1.64 1.09 2z81A1 LEU 203 HD13 -0.15 0.06 -0.06 -0.04 0.93 0.74 2z81A1 LEU 203 HD23 -0.10 -0.01 -0.11 -0.04 0.89 0.63 2z81A1 THR 204 H -0.24 0.71 0.43 -0.55 8.28 8.63 2z81A1 THR 204 HA -0.21 0.27 1.08 -0.75 4.39 4.78 2z81A1 THR 204 HB -0.21 -0.10 0.19 -0.04 4.32 4.16 2z81A1 THR 204 HG23 -0.25 -0.02 -0.17 -0.04 1.22 0.74 2z81A1 LEU 205 H -0.16 0.78 0.37 -0.55 8.37 8.82 2z81A1 LEU 205 HA 0.00 0.23 1.10 -0.75 4.35 4.93 2z81A1 LEU 205 HB2 -0.06 -0.00 0.14 -0.04 1.64 1.67 2z81A1 LEU 205 HB3 0.00 -0.01 -0.08 -0.04 1.64 1.50 2z81A1 LEU 205 HG -0.08 0.01 -0.27 -0.04 1.64 1.26 2z81A1 LEU 205 HD13 -0.05 -0.00 -0.13 -0.04 0.93 0.71 2z81A1 LEU 205 HD23 -0.01 0.02 -0.09 -0.04 0.89 0.76 2z81A1 HIS 206 H 0.20 0.69 0.34 -0.55 8.41 9.09 2z81A1 HIS 206 HA 0.02 0.21 0.86 -0.75 4.63 4.96 2z81A1 HIS 206 HB2 0.03 -0.30 0.37 -0.04 3.26 3.32 2z81A1 HIS 206 HB3 0.03 0.07 0.03 -0.04 3.20 3.29 2z81A1 HIS 206 HD2 -0.03 0.12 -0.38 -0.04 6.97 6.64 2z81A1 HIS 206 HE1 0.00 0.03 -0.10 -0.04 7.75 7.63 2z81A1 LEU 207 H 0.07 0.53 0.14 -0.55 8.37 8.56 2z81A1 LEU 207 HA 0.12 0.20 0.73 -0.75 4.35 4.64 2z81A1 LEU 207 HB2 0.07 -0.00 -0.03 -0.04 1.64 1.64 2z81A1 LEU 207 HB3 0.10 0.07 -0.02 -0.04 1.64 1.75 2z81A1 LEU 207 HG 0.06 -0.07 -0.42 -0.04 1.64 1.17 2z81A1 LEU 207 HD13 0.05 -0.01 -0.13 -0.04 0.93 0.80 2z81A1 LEU 207 HD23 0.11 0.04 -0.03 -0.04 0.89 0.97 2z81A1 SER 208 H 0.10 0.21 0.21 -0.55 8.46 8.43 2z81A1 SER 208 HA 0.08 0.41 0.82 -0.75 4.49 5.05 2z81A1 SER 208 HB2 0.07 -0.03 0.21 -0.04 3.95 4.15 2z81A1 SER 208 HB3 0.08 -0.02 0.19 -0.04 3.93 4.14 2z81A1 GLU 209 H 0.10 0.11 0.10 -0.55 8.60 8.36 2z81A1 GLU 209 HA 0.07 0.27 0.99 -0.75 4.29 4.87 2z81A1 GLU 209 HB2 0.05 -0.16 0.12 -0.04 2.09 2.06 2z81A1 GLU 209 HB3 0.06 0.12 0.03 -0.04 1.99 2.17 2z81A1 GLU 209 HG2 0.11 0.02 0.08 -0.04 2.34 2.51 2z81A1 GLU 209 HG3 0.14 -0.11 -0.02 -0.04 2.34 2.31 2z81A1 SER 210 H 0.07 0.23 0.18 -0.55 8.46 8.39 2z81A1 SER 210 HA 0.11 0.19 0.67 -0.75 4.49 4.70 2z81A1 SER 210 HB2 0.31 -0.01 0.11 -0.04 3.95 4.32 2z81A1 SER 210 HB3 0.14 0.09 0.05 -0.04 3.93 4.17 2z81A1 ALA 211 H 0.01 0.09 -0.22 -0.55 8.40 7.74 2z81A1 ALA 211 HA -0.14 0.10 0.31 -0.75 4.34 3.86 2z81A1 ALA 211 HB3 -0.31 0.03 0.03 -0.04 1.41 1.12 2z81A1 PHE 212 H 0.12 0.14 -0.31 -0.55 8.34 7.73 2z81A1 PHE 212 HA 0.05 0.26 0.96 -0.75 4.62 5.14 2z81A1 PHE 212 HB2 0.00 0.05 -0.05 -0.04 3.15 3.11 2z81A1 PHE 212 HB3 -0.01 -0.05 0.10 -0.04 3.06 3.06 2z81A1 PHE 212 HD2 0.11 0.03 -0.07 -0.04 7.28 7.31 2z81A1 PHE 212 HE2 0.06 0.12 -0.15 -0.04 7.38 7.37 2z81A1 PHE 212 HZ 0.04 0.26 0.02 -0.04 7.32 7.60 2z81A1 LEU 213 H 0.12 0.51 -0.25 -0.55 8.37 8.21 2z81A1 LEU 213 HA 0.08 0.03 0.33 -0.75 4.35 4.04 2z81A1 LEU 213 HB2 0.11 -0.02 0.10 -0.04 1.64 1.79 2z81A1 LEU 213 HB3 0.27 0.08 0.09 -0.04 1.64 2.03 2z81A1 LEU 213 HG -0.01 0.03 -0.17 -0.04 1.64 1.45 2z81A1 LEU 213 HD13 0.05 -0.01 -0.00 -0.04 0.93 0.92 2z81A1 LEU 213 HD23 -0.24 0.01 -0.06 -0.04 0.89 0.55 2z81A1 LEU 214 H 0.15 0.22 -0.14 -0.55 8.37 8.05 2z81A1 LEU 214 HA 0.15 0.10 0.42 -0.75 4.35 4.26 2z81A1 LEU 214 HB2 0.02 -0.01 0.06 -0.04 1.64 1.66 2z81A1 LEU 214 HB3 -0.01 0.08 -0.01 -0.04 1.64 1.66 2z81A1 LEU 214 HG 0.07 -0.07 0.04 -0.04 1.64 1.64 2z81A1 LEU 214 HD13 -0.19 0.09 0.04 -0.04 0.93 0.83 2z81A1 LEU 214 HD23 0.02 0.02 0.01 -0.04 0.89 0.90 2z81A1 GLU 215 H 0.12 0.11 -0.29 -0.55 8.60 7.99 2z81A1 GLU 215 HA 0.12 0.11 0.43 -0.75 4.29 4.20 2z81A1 GLU 215 HB2 0.29 0.07 0.11 -0.04 2.09 2.52 2z81A1 GLU 215 HB3 0.39 -0.07 -0.04 -0.04 1.99 2.23 2z81A1 GLU 215 HG2 0.15 0.02 0.04 -0.04 2.34 2.52 2z81A1 GLU 215 HG3 0.13 -0.01 0.04 -0.04 2.34 2.46 2z81A1 ILE 216 H -0.02 0.59 -0.09 -0.55 8.25 8.17 2z81A1 ILE 216 HA -0.25 -0.03 0.40 -0.75 4.18 3.54 2z81A1 ILE 216 HB -0.08 0.05 0.07 -0.04 1.89 1.89 2z81A1 ILE 216 HG12 -1.31 -0.06 -0.07 -0.04 1.49 0.00 2z81A1 ILE 216 HG13 -0.76 0.05 -0.02 -0.04 1.21 0.43 2z81A1 ILE 216 HG23 -0.11 0.00 -0.23 -0.04 0.93 0.56 2z81A1 ILE 216 HD13 -0.19 -0.02 -0.17 -0.04 0.88 0.46 2z81A1 PHE 217 H 0.18 0.73 -0.05 -0.55 8.34 8.65 2z81A1 PHE 217 HA -0.03 0.00 0.28 -0.75 4.62 4.11 2z81A1 PHE 217 HB2 0.02 0.10 0.11 -0.04 3.15 3.34 2z81A1 PHE 217 HB3 -0.00 0.05 0.08 -0.04 3.06 3.14 2z81A1 PHE 217 HD2 -0.05 -0.02 -0.09 -0.04 7.28 7.08 2z81A1 PHE 217 HE2 0.07 0.02 -0.06 -0.04 7.38 7.37 2z81A1 PHE 217 HZ 0.09 0.05 -0.12 -0.04 7.32 7.30 2z81A1 ALA 218 H 0.12 0.46 -0.32 -0.55 8.40 8.12 2z81A1 ALA 218 HA -0.07 0.04 0.37 -0.75 4.34 3.93 2z81A1 ALA 218 HB3 0.02 0.02 0.06 -0.04 1.41 1.47 2z81A1 ASP 219 H 0.03 0.37 -0.40 -0.55 8.40 7.84 2z81A1 ASP 219 HA 0.01 0.14 0.62 -0.75 4.63 4.65 2z81A1 ASP 219 HB2 0.13 0.12 0.06 -0.04 2.71 2.97 2z81A1 ASP 219 HB3 0.10 -0.15 -0.01 -0.04 2.70 2.60 2z81A1 ILE 220 H -0.14 0.47 -0.31 -0.55 8.25 7.72 2z81A1 ILE 220 HA -0.09 0.29 0.96 -0.75 4.18 4.59 2z81A1 ILE 220 HB -0.14 -0.10 0.11 -0.04 1.89 1.72 2z81A1 ILE 220 HG12 -0.22 0.16 0.04 -0.04 1.49 1.44 2z81A1 ILE 220 HG13 -0.37 0.08 -0.22 -0.04 1.21 0.66 2z81A1 ILE 220 HG23 -0.08 0.02 -0.22 -0.04 0.93 0.61 2z81A1 ILE 220 HD13 -0.12 -0.04 -0.11 -0.04 0.88 0.56 2z81A1 LEU 221 H -0.15 0.25 -0.16 -0.55 8.37 7.75 2z81A1 LEU 221 HA -0.22 0.06 0.36 -0.75 4.35 3.79 2z81A1 LEU 221 HB2 -0.07 0.03 0.05 -0.04 1.64 1.61 2z81A1 LEU 221 HB3 -0.04 0.05 0.03 -0.04 1.64 1.64 2z81A1 LEU 221 HG -0.24 0.11 0.10 -0.04 1.64 1.56 2z81A1 LEU 221 HD13 -0.06 -0.01 0.02 -0.04 0.93 0.85 2z81A1 LEU 221 HD23 -0.35 -0.00 -0.05 -0.04 0.89 0.46 2z81A1 SER 222 H -0.06 0.08 -0.32 -0.55 8.46 7.61 2z81A1 SER 222 HA -0.03 0.25 0.84 -0.75 4.49 4.79 2z81A1 SER 222 HB2 -0.03 0.04 0.01 -0.04 3.95 3.93 2z81A1 SER 222 HB3 -0.02 0.03 0.09 -0.04 3.93 3.99 2z81A1 SER 223 H -0.08 0.06 -0.25 -0.55 8.46 7.64 2z81A1 SER 223 HA -0.08 0.38 1.17 -0.75 4.49 5.20 2z81A1 SER 223 HB2 -0.09 -0.24 -0.45 -0.04 3.95 3.13 2z81A1 SER 223 HB3 -0.07 0.27 -0.19 -0.04 3.93 3.91 2z81A1 VAL 224 H -0.10 0.33 0.11 -0.55 8.24 8.04 2z81A1 VAL 224 HA -0.08 0.32 0.67 -0.75 4.13 4.28 2z81A1 VAL 224 HB -0.11 0.07 0.07 -0.04 2.12 2.11 2z81A1 VAL 224 HG13 -0.05 -0.04 -0.36 -0.04 0.97 0.49 2z81A1 VAL 224 HG23 -0.11 -0.02 -0.04 -0.04 0.95 0.74 2z81A1 ARG 225 H -0.03 0.51 0.33 -0.55 8.46 8.72 2z81A1 ARG 225 HA 0.00 0.23 0.56 -0.75 4.34 4.38 2z81A1 ARG 225 HB2 0.07 0.08 0.30 -0.04 1.90 2.31 2z81A1 ARG 225 HB3 0.06 -0.07 0.18 -0.04 1.80 1.92 2z81A1 ARG 225 HG2 -0.01 0.11 0.01 -0.04 1.67 1.73 2z81A1 ARG 225 HG3 -0.08 0.10 -0.10 -0.04 1.67 1.56 2z81A1 ARG 225 HD2 -0.27 -0.06 -0.01 -0.04 3.22 2.83 2z81A1 ARG 225 HD3 0.15 -0.05 0.05 -0.04 3.22 3.33 2z81A1 TYR 226 H 0.08 0.16 0.00 -0.55 8.29 7.98 2z81A1 TYR 226 HA -0.06 0.27 0.93 -0.75 4.56 4.95 2z81A1 TYR 226 HB2 -0.09 0.02 -0.00 -0.04 3.06 2.95 2z81A1 TYR 226 HB3 -0.07 0.22 0.33 -0.04 2.98 3.42 2z81A1 TYR 226 HD2 -0.31 0.14 -0.13 -0.04 7.15 6.80 2z81A1 TYR 226 HE2 -0.39 -0.03 -0.19 -0.04 6.85 6.20 2z81A1 LEU 227 H 0.14 0.58 0.30 -0.55 8.37 8.85 2z81A1 LEU 227 HA -0.12 0.20 1.02 -0.75 4.35 4.69 2z81A1 LEU 227 HB2 -0.04 0.03 -0.01 -0.04 1.64 1.58 2z81A1 LEU 227 HB3 -0.01 0.01 0.17 -0.04 1.64 1.77 2z81A1 LEU 227 HG -0.14 -0.04 -0.33 -0.04 1.64 1.09 2z81A1 LEU 227 HD13 -0.08 0.02 -0.05 -0.04 0.93 0.77 2z81A1 LEU 227 HD23 0.08 -0.01 -0.09 -0.04 0.89 0.83 2z81A1 GLU 228 H -0.21 0.75 0.39 -0.55 8.60 8.98 2z81A1 GLU 228 HA -0.17 0.20 1.02 -0.75 4.29 4.59 2z81A1 GLU 228 HB2 -0.36 0.02 -0.12 -0.04 2.09 1.59 2z81A1 GLU 228 HB3 -0.17 0.00 0.16 -0.04 1.99 1.95 2z81A1 GLU 228 HG2 -0.12 -0.07 -0.30 -0.04 2.34 1.81 2z81A1 GLU 228 HG3 -0.05 0.01 -0.14 -0.04 2.34 2.13 2z81A1 LEU 229 H -0.29 0.76 0.37 -0.55 8.37 8.66 2z81A1 LEU 229 HA -0.13 0.23 1.09 -0.75 4.35 4.78 2z81A1 LEU 229 HB2 -0.27 -0.02 0.24 -0.04 1.64 1.54 2z81A1 LEU 229 HB3 -0.04 -0.01 0.02 -0.04 1.64 1.56 2z81A1 LEU 229 HG -0.28 0.02 -0.15 -0.04 1.64 1.18 2z81A1 LEU 229 HD13 -0.13 -0.01 -0.06 -0.04 0.93 0.69 2z81A1 LEU 229 HD23 -0.06 0.01 -0.06 -0.04 0.89 0.74 2z81A1 ARG 230 H -0.13 0.73 0.41 -0.55 8.46 8.91 2z81A1 ARG 230 HA -0.01 0.22 1.17 -0.75 4.34 4.97 2z81A1 ARG 230 HB2 -0.36 -0.05 0.06 -0.04 1.90 1.51 2z81A1 ARG 230 HB3 -0.04 0.04 -0.00 -0.04 1.80 1.76 2z81A1 ARG 230 HG2 -0.07 0.02 -0.12 -0.04 1.67 1.46 2z81A1 ARG 230 HG3 -0.21 -0.03 -0.32 -0.04 1.67 1.06 2z81A1 ARG 230 HD2 -0.55 -0.03 -0.16 -0.04 3.22 2.43 2z81A1 ARG 230 HD3 -0.08 0.00 -0.10 -0.04 3.22 3.01 2z81A1 ASP 231 H 0.06 0.81 0.34 -0.55 8.40 9.07 2z81A1 ASP 231 HA 0.08 0.28 0.33 -0.75 4.63 4.57 2z81A1 ASP 231 HB2 0.10 0.04 -0.12 -0.04 2.71 2.69 2z81A1 ASP 231 HB3 0.08 -0.01 0.21 -0.04 2.70 2.94 2z81A1 THR 232 H 0.09 -0.02 -0.40 -0.55 8.28 7.41 2z81A1 THR 232 HA 0.08 0.28 0.62 -0.75 4.39 4.62 2z81A1 THR 232 HB 0.12 -0.12 -0.12 -0.04 4.32 4.16 2z81A1 THR 232 HG23 0.08 -0.02 -0.56 -0.04 1.22 0.68 2z81A1 ASN 233 H 0.07 0.68 0.17 -0.55 8.53 8.90 2z81A1 ASN 233 HA 0.06 -0.01 0.83 -0.75 4.76 4.88 2z81A1 ASN 233 HB2 0.05 0.14 0.26 -0.04 2.88 3.30 2z81A1 ASN 233 HB3 0.05 0.00 0.41 -0.04 2.79 3.21 2z81A1 ASN 233 HD21 0.02 -0.02 0.04 -0.04 7.03 7.03 2z81A1 ASN 233 HD22 0.04 0.10 0.09 -0.04 7.74 7.92 2z81A1 LEU 234 H 0.05 0.66 0.35 -0.55 8.37 8.89 2z81A1 LEU 234 HA 0.10 0.07 0.81 -0.75 4.35 4.57 2z81A1 LEU 234 HB2 0.02 0.13 0.10 -0.04 1.64 1.85 2z81A1 LEU 234 HB3 0.02 -0.04 0.16 -0.04 1.64 1.73 2z81A1 LEU 234 HG 0.08 0.02 -0.41 -0.04 1.64 1.29 2z81A1 LEU 234 HD13 0.09 0.01 -0.08 -0.04 0.93 0.90 2z81A1 LEU 234 HD23 -0.05 -0.01 -0.10 -0.04 0.89 0.70 2z81A1 ALA 235 H 0.04 0.14 -0.20 -0.55 8.40 7.84 2z81A1 ALA 235 HA 0.01 -0.06 0.40 -0.75 4.34 3.94 2z81A1 ALA 235 HB3 -0.00 0.02 -0.01 -0.04 1.41 1.38 2z81A1 ARG 236 H 0.05 0.07 -0.27 -0.55 8.46 7.76 2z81A1 ARG 236 HA -0.00 0.20 0.64 -0.75 4.34 4.43 2z81A1 ARG 236 HB2 0.02 -0.05 0.03 -0.04 1.90 1.86 2z81A1 ARG 236 HB3 0.01 -0.01 -0.04 -0.04 1.80 1.72 2z81A1 ARG 236 HG2 -0.02 0.04 0.07 -0.04 1.67 1.71 2z81A1 ARG 236 HG3 -0.01 0.01 -0.01 -0.04 1.67 1.62 2z81A1 ARG 236 HD2 -0.01 -0.01 0.01 -0.04 3.22 3.16 2z81A1 ARG 236 HD3 -0.01 0.03 0.00 -0.04 3.22 3.20 2z81A1 PHE 237 H 0.18 0.22 -0.43 -0.55 8.34 7.76 2z81A1 PHE 237 HA -0.01 0.02 0.37 -0.75 4.62 4.25 2z81A1 PHE 237 HB2 0.01 -0.10 0.09 -0.04 3.15 3.11 2z81A1 PHE 237 HB3 -0.00 0.09 0.10 -0.04 3.06 3.21 2z81A1 PHE 237 HD2 0.00 -0.01 -0.13 -0.04 7.28 7.09 2z81A1 PHE 237 HE2 0.02 0.01 -0.35 -0.04 7.38 7.01 2z81A1 PHE 237 HZ 0.04 0.03 -0.16 -0.04 7.32 7.19 2z81A1 GLN 238 H -0.78 0.23 0.17 -0.55 8.47 7.55 2z81A1 GLN 238 HA -0.27 0.08 0.77 -0.75 4.36 4.18 2z81A1 GLN 238 HB2 -0.15 0.05 -0.15 -0.04 2.15 1.85 2z81A1 GLN 238 HB3 -0.22 -0.02 0.04 -0.04 2.02 1.79 2z81A1 GLN 238 HG2 -0.11 0.19 -0.08 -0.04 2.40 2.37 2z81A1 GLN 238 HG3 -0.07 -0.06 0.10 -0.04 2.39 2.31 2z81A1 GLN 238 HE21 -0.03 -0.04 -0.01 -0.04 6.97 6.85 2z81A1 GLN 238 HE22 -0.03 -0.02 0.00 -0.04 7.69 7.60 2z81A1 PHE 239 H -0.04 0.10 0.11 -0.55 8.34 7.95 2z81A1 PHE 239 HA -0.28 0.10 0.61 -0.75 4.62 4.29 2z81A1 PHE 239 HB2 0.07 0.14 0.04 -0.04 3.15 3.35 2z81A1 PHE 239 HB3 -0.02 -0.04 0.09 -0.04 3.06 3.05 2z81A1 PHE 239 HD2 0.08 -0.03 -0.22 -0.04 7.28 7.08 2z81A1 PHE 239 HE2 0.24 -0.01 -0.15 -0.04 7.38 7.42 2z81A1 PHE 239 HZ 0.27 -0.02 -0.11 -0.04 7.32 7.42 2z81A1 SER 240 H -1.17 0.33 0.13 -0.55 8.46 7.21 2z81A1 SER 240 HA -0.33 0.09 0.51 -0.75 4.49 4.01 2z81A1 SER 240 HB2 -0.18 0.02 0.06 -0.04 3.95 3.81 2z81A1 SER 240 HB3 -0.21 0.04 -0.17 -0.04 3.93 3.54 2z81A1 PRO 241 HA 0.06 0.01 0.44 -0.51 4.44 4.44 2z81A1 PRO 241 HB2 0.03 0.01 0.01 -0.04 2.28 2.29 2z81A1 PRO 241 HB3 0.16 0.07 0.08 -0.04 2.02 2.28 2z81A1 PRO 241 HG2 0.08 0.03 0.06 -0.04 2.03 2.16 2z81A1 PRO 241 HG3 0.23 0.05 0.06 -0.04 2.03 2.33 2z81A1 PRO 241 HD2 -0.07 0.09 0.16 -0.04 3.68 3.83 2z81A1 PRO 241 HD3 -0.03 0.11 0.13 -0.04 3.65 3.82 2z81A1 LEU 242 H 0.16 0.09 0.20 -0.55 8.37 8.27 2z81A1 LEU 242 HA -0.09 0.16 0.65 -0.75 4.35 4.31 2z81A1 LEU 242 HB2 -0.31 0.01 0.10 -0.04 1.64 1.40 2z81A1 LEU 242 HB3 -0.14 0.02 0.02 -0.04 1.64 1.50 2z81A1 LEU 242 HG -0.50 -0.04 0.09 -0.04 1.64 1.15 2z81A1 LEU 242 HD13 -0.46 -0.00 -0.02 -0.04 0.93 0.40 2z81A1 LEU 242 HD23 -0.10 0.03 -0.02 -0.04 0.89 0.77 2z81A1 PRO 243 HA 0.02 0.11 0.51 -0.51 4.44 4.58 2z81A1 PRO 243 HB2 0.01 -0.01 0.18 -0.04 2.28 2.43 2z81A1 PRO 243 HB3 0.00 0.02 0.08 -0.04 2.02 2.09 2z81A1 PRO 243 HG2 0.01 0.01 0.09 -0.04 2.03 2.10 2z81A1 PRO 243 HG3 0.00 -0.01 0.08 -0.04 2.03 2.06 2z81A1 PRO 243 HD2 -0.03 0.06 0.16 -0.04 3.68 3.82 2z81A1 PRO 243 HD3 -0.04 0.23 0.18 -0.04 3.65 3.98 2z81A1 VAL 244 H 0.05 0.59 -0.06 -0.55 8.24 8.27 2z81A1 VAL 244 HA 0.03 0.09 0.75 -0.75 4.13 4.24 2z81A1 VAL 244 HB 0.02 0.06 0.05 -0.04 2.12 2.21 2z81A1 VAL 244 HG13 -0.01 -0.01 -0.27 -0.04 0.97 0.64 2z81A1 VAL 244 HG23 0.02 0.01 -0.16 -0.04 0.95 0.77 2z81A1 ASP 245 H 0.03 0.09 0.11 -0.55 8.40 8.08 2z81A1 ASP 245 HA 0.05 0.03 0.49 -0.75 4.63 4.44 2z81A1 ASP 245 HB2 0.03 0.03 0.03 -0.04 2.71 2.76 2z81A1 ASP 245 HB3 0.03 0.04 0.09 -0.04 2.70 2.82 2z81A1 GLU 246 H 0.05 0.03 0.18 -0.55 8.60 8.32 2z81A1 GLU 246 HA 0.10 0.11 0.50 -0.75 4.29 4.24 2z81A1 GLU 246 HB2 0.06 -0.00 0.14 -0.04 2.09 2.24 2z81A1 GLU 246 HB3 0.04 -0.05 0.14 -0.04 1.99 2.07 2z81A1 GLU 246 HG2 0.04 -0.00 -0.23 -0.04 2.34 2.11 2z81A1 GLU 246 HG3 0.05 0.06 0.06 -0.04 2.34 2.47 2z81A1 VAL 247 H 0.08 0.31 0.24 -0.55 8.24 8.32 2z81A1 VAL 247 HA 0.03 0.05 0.56 -0.75 4.13 4.02 2z81A1 VAL 247 HB 0.03 0.05 -0.28 -0.04 2.12 1.88 2z81A1 VAL 247 HG13 0.03 0.01 -0.25 -0.04 0.97 0.73 2z81A1 VAL 247 HG23 0.01 0.04 -0.03 -0.04 0.95 0.93 2z81A1 SER 248 H 0.02 0.13 0.11 -0.55 8.46 8.18 2z81A1 SER 248 HA 0.03 0.04 0.67 -0.75 4.49 4.47 2z81A1 SER 248 HB2 0.01 0.01 0.17 -0.04 3.95 4.10 2z81A1 SER 248 HB3 0.01 0.06 0.02 -0.04 3.93 3.98 2z81A1 SER 249 H 0.03 0.09 0.27 -0.55 8.46 8.31 2z81A1 SER 249 HA -0.01 0.40 0.77 -0.75 4.49 4.89 2z81A1 SER 249 HB2 0.01 0.09 0.28 -0.04 3.95 4.30 2z81A1 SER 249 HB3 0.04 -0.18 0.39 -0.04 3.93 4.14 2z81A1 PRO 250 HA -0.00 0.09 0.52 -0.51 4.44 4.54 2z81A1 PRO 250 HB2 -0.02 -0.06 0.00 -0.04 2.28 2.15 2z81A1 PRO 250 HB3 -0.02 -0.00 0.02 -0.04 2.02 1.97 2z81A1 PRO 250 HG2 -0.05 0.06 -0.61 -0.04 2.03 1.39 2z81A1 PRO 250 HG3 -0.05 0.20 -0.26 -0.04 2.03 1.88 2z81A1 PRO 250 HD2 -0.04 0.23 0.02 -0.04 3.68 3.85 2z81A1 PRO 250 HD3 -0.03 0.23 0.18 -0.04 3.65 4.00 2z81A1 MET 251 H -0.01 0.01 -0.43 -0.55 8.47 7.49 2z81A1 MET 251 HA 0.01 0.06 0.57 -0.75 4.52 4.40 2z81A1 MET 251 HB2 -0.03 0.08 0.05 -0.04 2.15 2.21 2z81A1 MET 251 HB3 0.03 -0.10 0.02 -0.04 2.03 1.93 2z81A1 MET 251 HG2 0.04 -0.04 -0.28 -0.04 2.63 2.31 2z81A1 MET 251 HG3 0.02 -0.03 -0.28 -0.04 2.56 2.24 2z81A1 MET 251 HE3 -0.12 -0.01 -0.11 -0.04 2.10 1.83 2z81A1 LYS 252 H 0.02 0.65 0.50 -0.55 8.42 9.03 2z81A1 LYS 252 HA 0.00 0.26 0.89 -0.75 4.32 4.72 2z81A1 LYS 252 HB2 -0.02 0.02 0.19 -0.04 1.87 2.03 2z81A1 LYS 252 HB3 -0.03 -0.11 0.15 -0.04 1.79 1.77 2z81A1 LYS 252 HG2 0.00 0.29 -0.02 -0.04 1.46 1.70 2z81A1 LYS 252 HG3 -0.00 -0.09 0.06 -0.04 1.46 1.38 2z81A1 LYS 252 HD2 -0.01 -0.07 0.06 -0.04 1.69 1.64 2z81A1 LYS 252 HD3 0.00 0.17 -0.17 -0.04 1.68 1.64 2z81A1 LYS 252 HE2 0.00 -0.03 -0.01 -0.04 2.99 2.92 2z81A1 LYS 252 HE3 0.00 0.04 -0.05 -0.04 2.99 2.94 2z81A1 LYS 253 H 0.01 0.45 0.41 -0.55 8.42 8.74 2z81A1 LYS 253 HA -0.06 0.31 1.14 -0.75 4.32 4.96 2z81A1 LYS 253 HB2 -0.24 0.02 -0.06 -0.04 1.87 1.55 2z81A1 LYS 253 HB3 -0.36 -0.02 0.15 -0.04 1.79 1.51 2z81A1 LYS 253 HG2 -0.35 -0.04 -0.29 -0.04 1.46 0.73 2z81A1 LYS 253 HG3 -0.24 0.02 -0.06 -0.04 1.46 1.14 2z81A1 LYS 253 HD2 -0.50 0.02 -0.08 -0.04 1.69 1.10 2z81A1 LYS 253 HD3 -1.62 -0.01 -0.10 -0.04 1.68 -0.09 2z81A1 LYS 253 HE2 -0.49 -0.04 -0.17 -0.04 2.99 2.24 2z81A1 LYS 253 HE3 -0.27 -0.01 -0.16 -0.04 2.99 2.51 2z81A1 LEU 254 H -0.04 0.62 0.38 -0.55 8.37 8.79 2z81A1 LEU 254 HA 0.01 0.25 1.02 -0.75 4.35 4.87 2z81A1 LEU 254 HB2 0.04 0.03 -0.11 -0.04 1.64 1.57 2z81A1 LEU 254 HB3 0.02 0.01 0.17 -0.04 1.64 1.79 2z81A1 LEU 254 HG -0.25 -0.05 -0.19 -0.04 1.64 1.11 2z81A1 LEU 254 HD13 -0.19 0.03 0.01 -0.04 0.93 0.74 2z81A1 LEU 254 HD23 0.18 -0.00 -0.09 -0.04 0.89 0.94 2z81A1 ALA 255 H -0.14 0.68 0.44 -0.55 8.40 8.83 2z81A1 ALA 255 HA -0.15 0.24 1.16 -0.75 4.34 4.84 2z81A1 ALA 255 HB3 0.06 -0.01 -0.03 -0.04 1.41 1.38 2z81A1 PHE 256 H 0.00 0.71 0.41 -0.55 8.34 8.91 2z81A1 PHE 256 HA -0.03 0.25 1.02 -0.75 4.62 5.10 2z81A1 PHE 256 HB2 0.01 -0.03 0.24 -0.04 3.15 3.33 2z81A1 PHE 256 HB3 0.09 -0.06 0.05 -0.04 3.06 3.10 2z81A1 PHE 256 HD2 -0.41 0.07 -0.02 -0.04 7.28 6.87 2z81A1 PHE 256 HE2 -0.14 0.01 -0.11 -0.04 7.38 7.10 2z81A1 PHE 256 HZ -0.08 0.03 -0.10 -0.04 7.32 7.13 2z81A1 ARG 257 H 0.08 0.69 0.35 -0.55 8.46 9.03 2z81A1 ARG 257 HA 0.11 0.25 1.11 -0.75 4.34 5.06 2z81A1 ARG 257 HB2 0.03 -0.09 0.12 -0.04 1.90 1.92 2z81A1 ARG 257 HB3 0.06 0.04 0.02 -0.04 1.80 1.88 2z81A1 ARG 257 HG2 0.01 -0.03 -0.37 -0.04 1.67 1.23 2z81A1 ARG 257 HG3 0.00 -0.00 -0.16 -0.04 1.67 1.47 2z81A1 ARG 257 HD2 0.05 0.01 -0.09 -0.04 3.22 3.15 2z81A1 ARG 257 HD3 0.06 0.04 -0.24 -0.04 3.22 3.04 2z81A1 GLY 258 H 0.11 0.81 0.21 -0.55 8.43 9.01 2z81A1 GLY 258 HA2 0.09 0.48 0.43 -0.51 4.01 4.50 2z81A1 GLY 258 HA3 0.08 -0.05 0.55 -0.51 4.01 4.08 2z81A1 SER 259 H 0.15 0.02 -0.22 -0.55 8.46 7.86 2z81A1 SER 259 HA 0.10 0.26 0.56 -0.75 4.49 4.65 2z81A1 SER 259 HB2 0.15 -0.08 -0.10 -0.04 3.95 3.87 2z81A1 SER 259 HB3 0.13 0.09 0.06 -0.04 3.93 4.17 2z81A1 VAL 260 H 0.06 0.40 0.35 -0.55 8.24 8.50 2z81A1 VAL 260 HA 0.03 0.23 1.03 -0.75 4.13 4.66 2z81A1 VAL 260 HB 0.04 -0.20 0.26 -0.04 2.12 2.17 2z81A1 VAL 260 HG13 0.01 -0.00 -0.05 -0.04 0.97 0.89 2z81A1 VAL 260 HG23 0.04 0.05 -0.06 -0.04 0.95 0.94 2z81A1 LEU 261 H -0.01 0.89 0.42 -0.55 8.37 9.12 2z81A1 LEU 261 HA 0.01 0.13 0.80 -0.75 4.35 4.53 2z81A1 LEU 261 HB2 -0.05 -0.01 -0.05 -0.04 1.64 1.49 2z81A1 LEU 261 HB3 0.02 -0.00 0.06 -0.04 1.64 1.67 2z81A1 LEU 261 HG -0.04 0.03 -0.13 -0.04 1.64 1.46 2z81A1 LEU 261 HD13 -0.04 0.03 -0.20 -0.04 0.93 0.68 2z81A1 LEU 261 HD23 -0.01 -0.04 -0.36 -0.04 0.89 0.44 2z81A1 THR 262 H -0.02 0.20 0.24 -0.55 8.28 8.14 2z81A1 THR 262 HA -0.10 0.36 1.02 -0.75 4.39 4.92 2z81A1 THR 262 HB -0.17 -0.05 0.28 -0.04 4.32 4.34 2z81A1 THR 262 HG23 -0.07 0.03 0.00 -0.04 1.22 1.14 2z81A1 ASP 263 H -0.26 0.36 0.33 -0.55 8.40 8.29 2z81A1 ASP 263 HA 0.06 0.14 0.45 -0.75 4.63 4.52 2z81A1 ASP 263 HB2 0.23 0.06 0.08 -0.04 2.71 3.04 2z81A1 ASP 263 HB3 -0.01 0.08 0.11 -0.04 2.70 2.84 2z81A1 GLU 264 H -0.50 0.03 -0.07 -0.55 8.60 7.51 2z81A1 GLU 264 HA -1.56 0.14 0.48 -0.75 4.29 2.59 2z81A1 GLU 264 HB2 -0.85 -0.07 0.14 -0.04 2.09 1.27 2z81A1 GLU 264 HB3 -0.35 0.03 0.13 -0.04 1.99 1.75 2z81A1 GLU 264 HG2 -0.22 0.06 -0.14 -0.04 2.34 2.00 2z81A1 GLU 264 HG3 -0.31 -0.00 0.04 -0.04 2.34 2.02 2z81A1 SER 265 H -0.14 0.01 -0.05 -0.55 8.46 7.73 2z81A1 SER 265 HA 0.04 0.21 0.49 -0.75 4.49 4.48 2z81A1 SER 265 HB2 0.15 0.11 0.17 -0.04 3.95 4.34 2z81A1 SER 265 HB3 0.01 0.15 0.18 -0.04 3.93 4.24 2z81A1 PHE 266 H 0.08 0.39 -0.31 -0.55 8.34 7.95 2z81A1 PHE 266 HA -0.08 0.04 0.41 -0.75 4.62 4.25 2z81A1 PHE 266 HB2 -0.09 -0.02 0.05 -0.04 3.15 3.04 2z81A1 PHE 266 HB3 -0.05 0.12 0.11 -0.04 3.06 3.20 2z81A1 PHE 266 HD2 -0.09 -0.01 -0.09 -0.04 7.28 7.05 2z81A1 PHE 266 HE2 -0.15 0.02 -0.10 -0.04 7.38 7.10 2z81A1 PHE 266 HZ -0.05 0.05 -0.10 -0.04 7.32 7.18 2z81A1 ASN 267 H 0.03 0.34 -0.22 -0.55 8.53 8.14 2z81A1 ASN 267 HA -0.09 0.05 0.45 -0.75 4.76 4.42 2z81A1 ASN 267 HB2 0.24 -0.01 0.16 -0.04 2.88 3.23 2z81A1 ASN 267 HB3 0.07 0.16 0.19 -0.04 2.79 3.17 2z81A1 ASN 267 HD21 0.10 0.58 0.13 -0.04 7.03 7.79 2z81A1 ASN 267 HD22 0.17 -0.05 -0.04 -0.04 7.74 7.78 2z81A1 GLU 268 H 0.01 0.31 -0.25 -0.55 8.60 8.13 2z81A1 GLU 268 HA 0.05 0.05 0.42 -0.75 4.29 4.05 2z81A1 GLU 268 HB2 0.25 0.20 0.13 -0.04 2.09 2.64 2z81A1 GLU 268 HB3 0.16 -0.19 -0.04 -0.04 1.99 1.88 2z81A1 GLU 268 HG2 0.00 0.21 0.10 -0.04 2.34 2.61 2z81A1 GLU 268 HG3 -0.01 0.12 0.12 -0.04 2.34 2.53 2z81A1 LEU 269 H 0.02 0.51 -0.20 -0.55 8.37 8.15 2z81A1 LEU 269 HA -0.02 -0.01 0.35 -0.75 4.35 3.91 2z81A1 LEU 269 HB2 -0.25 0.15 0.17 -0.04 1.64 1.66 2z81A1 LEU 269 HB3 -0.18 -0.02 -0.05 -0.04 1.64 1.35 2z81A1 LEU 269 HG -0.19 0.11 0.02 -0.04 1.64 1.54 2z81A1 LEU 269 HD13 -0.22 -0.03 -0.06 -0.04 0.93 0.57 2z81A1 LEU 269 HD23 -0.61 -0.02 -0.04 -0.04 0.89 0.17 2z81A1 LEU 270 H -0.28 0.45 -0.25 -0.55 8.37 7.75 2z81A1 LEU 270 HA -0.14 0.02 0.32 -0.75 4.35 3.80 2z81A1 LEU 270 HB2 -0.18 0.17 0.12 -0.04 1.64 1.70 2z81A1 LEU 270 HB3 -0.13 -0.00 0.03 -0.04 1.64 1.50 2z81A1 LEU 270 HG -0.82 0.25 0.07 -0.04 1.64 1.10 2z81A1 LEU 270 HD13 -0.14 -0.03 -0.05 -0.04 0.93 0.67 2z81A1 LEU 270 HD23 -0.26 -0.01 -0.05 -0.04 0.89 0.53 2z81A1 LYS 271 H -0.17 0.38 -0.54 -0.55 8.42 7.53 2z81A1 LYS 271 HA -0.29 0.03 0.40 -0.75 4.32 3.71 2z81A1 LYS 271 HB2 -0.80 0.17 0.08 -0.04 1.87 1.27 2z81A1 LYS 271 HB3 -1.40 -0.07 0.05 -0.04 1.79 0.32 2z81A1 LYS 271 HG2 -0.25 -0.03 -0.01 -0.04 1.46 1.13 2z81A1 LYS 271 HG3 -0.18 0.22 0.10 -0.04 1.46 1.56 2z81A1 LYS 271 HD2 -0.09 -0.08 0.04 -0.04 1.69 1.52 2z81A1 LYS 271 HD3 -0.23 -0.04 -0.02 -0.04 1.68 1.35 2z81A1 LYS 271 HE2 -0.04 0.07 -0.02 -0.04 2.99 2.96 2z81A1 LYS 271 HE3 -0.01 0.00 -0.08 -0.04 2.99 2.86 2z81A1 LEU 272 H -0.07 0.61 -0.36 -0.55 8.37 8.00 2z81A1 LEU 272 HA 0.38 0.03 0.42 -0.75 4.35 4.44 2z81A1 LEU 272 HB2 -0.10 0.19 0.06 -0.04 1.64 1.74 2z81A1 LEU 272 HB3 -0.29 -0.05 0.02 -0.04 1.64 1.28 2z81A1 LEU 272 HG 0.18 0.06 0.03 -0.04 1.64 1.86 2z81A1 LEU 272 HD13 -0.61 -0.02 -0.04 -0.04 0.93 0.22 2z81A1 LEU 272 HD23 0.13 -0.02 -0.04 -0.04 0.89 0.92 2z81A1 LEU 273 H -0.01 0.48 -0.38 -0.55 8.37 7.92 2z81A1 LEU 273 HA 0.12 0.04 0.30 -0.75 4.35 4.06 2z81A1 LEU 273 HB2 -0.01 0.12 0.05 -0.04 1.64 1.76 2z81A1 LEU 273 HB3 0.03 -0.02 -0.08 -0.04 1.64 1.54 2z81A1 LEU 273 HG 0.01 -0.03 0.06 -0.04 1.64 1.64 2z81A1 LEU 273 HD13 0.01 0.00 0.01 -0.04 0.93 0.92 2z81A1 LEU 273 HD23 0.08 -0.01 -0.05 -0.04 0.89 0.87 2z81A1 ARG 274 H -0.03 0.31 -0.42 -0.55 8.46 7.77 2z81A1 ARG 274 HA -0.06 0.04 0.30 -0.75 4.34 3.87 2z81A1 ARG 274 HB2 -0.19 -0.04 0.09 -0.04 1.90 1.72 2z81A1 ARG 274 HB3 -0.13 -0.01 0.08 -0.04 1.80 1.70 2z81A1 ARG 274 HG2 -0.14 0.18 0.05 -0.04 1.67 1.71 2z81A1 ARG 274 HG3 -0.97 -0.02 -0.21 -0.04 1.67 0.43 2z81A1 ARG 274 HD2 0.06 -0.08 -0.01 -0.04 3.22 3.15 2z81A1 ARG 274 HD3 -0.15 -0.06 0.00 -0.04 3.22 2.97 2z81A1 TYR 275 H 0.24 0.46 -0.47 -0.55 8.29 7.98 2z81A1 TYR 275 HA 0.11 0.14 0.80 -0.75 4.56 4.85 2z81A1 TYR 275 HB2 0.39 0.14 0.07 -0.04 3.06 3.62 2z81A1 TYR 275 HB3 0.16 -0.02 0.10 -0.04 2.98 3.19 2z81A1 TYR 275 HD2 0.23 0.07 0.06 -0.04 7.15 7.47 2z81A1 TYR 275 HE2 0.37 0.04 0.01 -0.04 6.85 7.22 2z81A1 ILE 276 H 0.19 0.38 -0.22 -0.55 8.25 8.04 2z81A1 ILE 276 HA 0.09 0.16 0.93 -0.75 4.18 4.61 2z81A1 ILE 276 HB 0.11 0.03 0.13 -0.04 1.89 2.11 2z81A1 ILE 276 HG12 0.30 0.08 0.01 -0.04 1.49 1.83 2z81A1 ILE 276 HG13 0.15 0.03 0.14 -0.04 1.21 1.49 2z81A1 ILE 276 HG23 0.13 -0.01 -0.14 -0.04 0.93 0.87 2z81A1 ILE 276 HD13 0.29 -0.02 -0.12 -0.04 0.88 0.98 2z81A1 LEU 277 H 0.06 0.19 -0.12 -0.55 8.37 7.96 2z81A1 LEU 277 HA 0.04 0.08 0.38 -0.75 4.35 4.10 2z81A1 LEU 277 HB2 0.03 0.01 0.05 -0.04 1.64 1.68 2z81A1 LEU 277 HB3 0.02 -0.03 0.09 -0.04 1.64 1.68 2z81A1 LEU 277 HG 0.03 0.07 -0.01 -0.04 1.64 1.69 2z81A1 LEU 277 HD13 0.01 -0.02 0.03 -0.04 0.93 0.91 2z81A1 LEU 277 HD23 0.00 0.01 0.02 -0.04 0.89 0.88 2z81A1 GLU 278 H 0.03 0.13 -0.33 -0.55 8.60 7.89 2z81A1 GLU 278 HA 0.02 0.14 0.79 -0.75 4.29 4.48 2z81A1 GLU 278 HB2 0.02 0.17 -0.09 -0.04 2.09 2.15 2z81A1 GLU 278 HB3 0.01 -0.05 0.08 -0.04 1.99 1.99 2z81A1 GLU 278 HG2 0.02 -0.07 -0.04 -0.04 2.34 2.21 2z81A1 GLU 278 HG3 0.01 0.02 -0.03 -0.04 2.34 2.29 2z81A1 LEU 279 H 0.04 0.32 -0.24 -0.55 8.37 7.94 2z81A1 LEU 279 HA 0.03 0.03 0.38 -0.75 4.35 4.03 2z81A1 LEU 279 HB2 0.07 0.30 0.16 -0.04 1.64 2.13 2z81A1 LEU 279 HB3 0.05 -0.08 -0.04 -0.04 1.64 1.53 2z81A1 LEU 279 HG 0.09 -0.03 -0.12 -0.04 1.64 1.54 2z81A1 LEU 279 HD13 0.08 -0.04 -0.13 -0.04 0.93 0.80 2z81A1 LEU 279 HD23 0.03 -0.05 -0.33 -0.04 0.89 0.50 2z81A1 SER 280 H -0.00 0.53 0.48 -0.55 8.46 8.92 2z81A1 SER 280 HA 0.01 0.29 1.00 -0.75 4.49 5.04 2z81A1 SER 280 HB2 -0.01 -0.12 0.21 -0.04 3.95 3.99 2z81A1 SER 280 HB3 -0.00 0.13 0.05 -0.04 3.93 4.07 2z81A1 GLU 281 H -0.02 0.43 0.42 -0.55 8.60 8.89 2z81A1 GLU 281 HA -0.00 0.28 1.11 -0.75 4.29 4.93 2z81A1 GLU 281 HB2 -0.06 0.03 -0.04 -0.04 2.09 1.98 2z81A1 GLU 281 HB3 -0.09 0.01 0.15 -0.04 1.99 2.01 2z81A1 GLU 281 HG2 -0.10 -0.07 -0.31 -0.04 2.34 1.82 2z81A1 GLU 281 HG3 -0.05 0.04 -0.03 -0.04 2.34 2.26 2z81A1 VAL 282 H 0.03 0.61 0.39 -0.55 8.24 8.72 2z81A1 VAL 282 HA -0.03 0.36 1.14 -0.75 4.13 4.84 2z81A1 VAL 282 HB 0.14 -0.04 0.11 -0.04 2.12 2.29 2z81A1 VAL 282 HG13 -0.07 -0.01 -0.07 -0.04 0.97 0.78 2z81A1 VAL 282 HG23 0.08 -0.00 -0.21 -0.04 0.95 0.78 2z81A1 GLU 283 H -0.14 0.62 0.52 -0.55 8.60 9.05 2z81A1 GLU 283 HA 0.05 0.31 1.15 -0.75 4.29 5.04 2z81A1 GLU 283 HB2 -0.03 -0.08 0.11 -0.04 2.09 2.05 2z81A1 GLU 283 HB3 0.02 -0.01 0.04 -0.04 1.99 2.00 2z81A1 GLU 283 HG2 -0.01 0.06 -0.15 -0.04 2.34 2.20 2z81A1 GLU 283 HG3 -0.07 -0.00 -0.30 -0.04 2.34 1.93 2z81A1 PHE 284 H 0.23 0.69 0.37 -0.55 8.34 9.08 2z81A1 PHE 284 HA 0.19 0.20 1.00 -0.75 4.62 5.26 2z81A1 PHE 284 HB2 0.05 -0.03 0.21 -0.04 3.15 3.35 2z81A1 PHE 284 HB3 0.05 -0.05 0.02 -0.04 3.06 3.03 2z81A1 PHE 284 HD2 0.02 -0.01 -0.11 -0.04 7.28 7.14 2z81A1 PHE 284 HE2 -0.27 0.01 -0.12 -0.04 7.38 6.96 2z81A1 PHE 284 HZ 0.14 0.03 -0.11 -0.04 7.32 7.33 2z81A1 ASP 285 H 0.17 0.70 0.37 -0.55 8.40 9.09 2z81A1 ASP 285 HA 0.11 0.22 1.10 -0.75 4.63 5.31 2z81A1 ASP 285 HB2 0.09 -0.02 0.18 -0.04 2.71 2.91 2z81A1 ASP 285 HB3 0.08 0.03 -0.00 -0.04 2.70 2.76 2z81A1 ASP 286 H 0.08 0.59 0.28 -0.55 8.40 8.81 2z81A1 ASP 286 HA 0.07 0.37 0.51 -0.75 4.63 4.83 2z81A1 ASP 286 HB2 0.08 -0.04 0.01 -0.04 2.71 2.72 2z81A1 ASP 286 HB3 0.07 0.02 0.26 -0.04 2.70 3.01 2z81A1 CYS 287 H 0.10 0.11 -0.22 -0.55 8.50 7.94 2z81A1 CYS 287 HA 0.09 0.28 0.83 -0.75 4.58 5.03 2z81A1 CYS 287 HB2 0.08 -0.04 -0.13 -0.04 2.97 2.84 2z81A1 CYS 287 HB3 0.06 0.03 -0.06 -0.04 2.97 2.96 2z81A1 THR 288 H 0.04 0.57 0.35 -0.55 8.28 8.69 2z81A1 THR 288 HA 0.01 0.25 1.03 -0.75 4.39 4.92 2z81A1 THR 288 HB 0.02 -0.07 0.19 -0.04 4.32 4.41 2z81A1 THR 288 HG23 -0.14 0.00 -0.09 -0.04 1.22 0.95 2z81A1 LEU 289 H -0.08 0.70 0.25 -0.55 8.37 8.69 2z81A1 LEU 289 HA -0.04 0.16 0.90 -0.75 4.35 4.61 2z81A1 LEU 289 HB2 -0.13 0.00 -0.19 -0.04 1.64 1.28 2z81A1 LEU 289 HB3 -0.02 0.02 0.01 -0.04 1.64 1.60 2z81A1 LEU 289 HG 0.27 -0.05 -0.45 -0.04 1.64 1.37 2z81A1 LEU 289 HD13 -0.08 -0.01 -0.46 -0.04 0.93 0.34 2z81A1 LEU 289 HD23 -0.15 0.01 -0.16 -0.04 0.89 0.55 2z81A1 ASN 290 H -0.05 0.80 0.37 -0.55 8.53 9.11 2z81A1 ASN 290 HA -0.06 0.12 0.88 -0.75 4.76 4.95 2z81A1 ASN 290 HB2 -0.08 -0.04 0.18 -0.04 2.88 2.90 2z81A1 ASN 290 HB3 -0.10 0.05 -0.03 -0.04 2.79 2.67 2z81A1 ASN 290 HD21 -0.03 0.02 -0.05 -0.04 7.03 6.92 2z81A1 ASN 290 HD22 -0.04 0.02 -0.02 -0.04 7.74 7.66 2z81A1 GLY 291 H -0.17 0.20 0.14 -0.55 8.43 8.05 2z81A1 GLY 291 HA2 -1.01 -0.09 0.74 -0.51 4.01 3.14 2z81A1 GLY 291 HA3 -0.98 0.13 0.24 -0.51 4.01 2.89 2z81A1 LEU 292 H -0.32 -0.03 0.29 -0.55 8.37 7.77 2z81A1 LEU 292 HA -0.13 0.12 0.41 -0.75 4.35 3.99 2z81A1 LEU 292 HB2 -0.06 -0.20 0.30 -0.04 1.64 1.63 2z81A1 LEU 292 HB3 -0.06 0.08 0.08 -0.04 1.64 1.70 2z81A1 LEU 292 HG -0.22 -0.18 0.24 -0.04 1.64 1.45 2z81A1 LEU 292 HD13 -0.13 0.03 0.08 -0.04 0.93 0.87 2z81A1 LEU 292 HD23 -0.11 0.05 0.05 -0.04 0.89 0.84 2z81A1 GLY 293 H -0.11 0.07 0.08 -0.55 8.43 7.92 2z81A1 GLY 293 HA2 -0.06 0.10 0.28 -0.51 4.01 3.82 2z81A1 GLY 293 HA3 -0.06 0.24 0.78 -0.51 4.01 4.47 2z81A1 ASP 294 H -0.00 -0.23 -0.04 -0.55 8.40 7.57 2z81A1 ASP 294 HA -0.01 0.26 0.72 -0.75 4.63 4.85 2z81A1 ASP 294 HB2 -0.00 0.03 0.07 -0.04 2.71 2.77 2z81A1 ASP 294 HB3 -0.01 0.09 -0.16 -0.04 2.70 2.59 2z81A1 PHE 295 H 0.09 -0.25 0.11 -0.55 8.34 7.75 2z81A1 PHE 295 HA -0.11 0.10 0.42 -0.75 4.62 4.28 2z81A1 PHE 295 HB2 -0.11 -0.09 0.20 -0.04 3.15 3.10 2z81A1 PHE 295 HB3 -0.13 -0.03 0.26 -0.04 3.06 3.12 2z81A1 PHE 295 HD2 -0.05 -0.02 0.00 -0.04 7.28 7.17 2z81A1 PHE 295 HE2 0.03 0.06 -0.06 -0.04 7.38 7.36 2z81A1 PHE 295 HZ -0.03 0.08 -0.02 -0.04 7.32 7.31 2z81A1 ASN 296 H -0.17 0.29 0.21 -0.55 8.53 8.31 2z81A1 ASN 296 HA -0.49 0.15 0.80 -0.75 4.76 4.46 2z81A1 ASN 296 HB2 -0.13 0.02 -0.12 -0.04 2.88 2.62 2z81A1 ASN 296 HB3 -0.14 -0.00 0.20 -0.04 2.79 2.81 2z81A1 ASN 296 HD21 -0.08 -0.02 -0.04 -0.04 7.03 6.85 2z81A1 ASN 296 HD22 -0.09 -0.01 0.03 -0.04 7.74 7.62 2z81A1 PRO 297 HA -0.25 0.05 0.62 -0.51 4.44 4.35 2z81A1 PRO 297 HB2 -0.25 0.12 -0.10 -0.04 2.28 2.00 2z81A1 PRO 297 HB3 -0.45 -0.01 -0.01 -0.04 2.02 1.50 2z81A1 PRO 297 HG2 -0.76 0.04 -0.03 -0.04 2.03 1.24 2z81A1 PRO 297 HG3 -1.28 0.02 -0.05 -0.04 2.03 0.67 2z81A1 PRO 297 HD2 -1.44 0.13 0.06 -0.04 3.68 2.38 2z81A1 PRO 297 HD3 -2.37 0.01 -0.43 -0.04 3.65 0.82 2z81A1 SER 298 H -0.11 0.07 0.18 -0.55 8.46 8.06 2z81A1 SER 298 HA -0.09 0.18 0.58 -0.75 4.49 4.40 2z81A1 SER 298 HB2 -0.04 0.01 0.16 -0.04 3.95 4.04 2z81A1 SER 298 HB3 -0.06 0.11 0.14 -0.04 3.93 4.08 2z81A1 GLU 299 H -0.04 0.18 0.15 -0.55 8.60 8.35 2z81A1 GLU 299 HA -0.02 0.11 0.33 -0.75 4.29 3.95 2z81A1 GLU 299 HB2 -0.01 -0.01 0.06 -0.04 2.09 2.09 2z81A1 GLU 299 HB3 -0.00 0.08 0.10 -0.04 1.99 2.12 2z81A1 GLU 299 HG2 -0.01 0.04 0.04 -0.04 2.34 2.38 2z81A1 GLU 299 HG3 -0.01 0.02 0.04 -0.04 2.34 2.35 2z81A1 SER 300 H -0.02 -0.08 -0.53 -0.55 8.46 7.28 2z81A1 SER 300 HA -0.00 0.17 0.47 -0.75 4.49 4.37 2z81A1 SER 300 HB2 -0.01 -0.01 0.05 -0.04 3.95 3.93 2z81A1 SER 300 HB3 -0.01 -0.09 0.05 -0.04 3.93 3.84 2z81A1 ASP 301 H -0.02 0.06 -0.09 -0.55 8.40 7.81 2z81A1 ASP 301 HA 0.01 0.19 0.58 -0.75 4.63 4.66 2z81A1 ASP 301 HB2 -0.00 -0.07 0.05 -0.04 2.71 2.65 2z81A1 ASP 301 HB3 0.04 0.01 0.10 -0.04 2.70 2.81 2z81A1 VAL 302 H -0.00 0.15 -0.57 -0.55 8.24 7.26 2z81A1 VAL 302 HA 0.06 0.05 0.64 -0.75 4.13 4.12 2z81A1 VAL 302 HB 0.02 0.04 -0.03 -0.04 2.12 2.11 2z81A1 VAL 302 HG13 0.11 -0.02 -0.24 -0.04 0.97 0.79 2z81A1 VAL 302 HG23 -0.05 0.06 -0.20 -0.04 0.95 0.72 2z81A1 VAL 303 H 0.04 0.11 0.12 -0.55 8.24 7.97 2z81A1 VAL 303 HA -0.01 0.11 0.63 -0.75 4.13 4.11 2z81A1 VAL 303 HB -0.03 -0.05 0.11 -0.04 2.12 2.11 2z81A1 VAL 303 HG13 -0.04 0.02 -0.12 -0.04 0.97 0.79 2z81A1 VAL 303 HG23 -0.08 0.00 -0.10 -0.04 0.95 0.73 2z81A1 SER 304 H 0.02 0.12 0.16 -0.55 8.46 8.21 2z81A1 SER 304 HA 0.06 0.20 0.87 -0.75 4.49 4.88 2z81A1 SER 304 HB2 0.05 -0.01 0.06 -0.04 3.95 4.01 2z81A1 SER 304 HB3 0.05 -0.04 -0.11 -0.04 3.93 3.79 2z81A1 GLU 305 H 0.02 0.02 0.09 -0.55 8.60 8.18 2z81A1 GLU 305 HA 0.04 0.30 0.89 -0.75 4.29 4.77 2z81A1 GLU 305 HB2 0.02 0.01 0.03 -0.04 2.09 2.11 2z81A1 GLU 305 HB3 0.01 -0.01 0.08 -0.04 1.99 2.02 2z81A1 GLU 305 HG2 0.02 -0.38 -0.01 -0.04 2.34 1.92 2z81A1 GLU 305 HG3 0.03 0.10 0.12 -0.04 2.34 2.55 2z81A1 LEU 306 H 0.04 0.23 0.17 -0.55 8.37 8.27 2z81A1 LEU 306 HA 0.04 0.18 0.91 -0.75 4.35 4.72 2z81A1 LEU 306 HB2 0.07 0.14 0.03 -0.04 1.64 1.84 2z81A1 LEU 306 HB3 0.06 0.09 0.05 -0.04 1.64 1.80 2z81A1 LEU 306 HG 0.08 -0.05 0.07 -0.04 1.64 1.69 2z81A1 LEU 306 HD13 0.08 -0.01 -0.07 -0.04 0.93 0.88 2z81A1 LEU 306 HD23 0.11 -0.00 -0.13 -0.04 0.89 0.83 2z81A1 GLY 307 H 0.03 -0.03 -0.03 -0.55 8.43 7.85 2z81A1 GLY 307 HA2 0.02 -0.00 0.32 -0.51 4.01 3.85 2z81A1 GLY 307 HA3 0.03 0.08 0.40 -0.51 4.01 4.01 2z81A1 LYS 308 H 0.03 0.25 0.20 -0.55 8.42 8.34 2z81A1 LYS 308 HA 0.02 0.13 0.73 -0.75 4.32 4.44 2z81A1 LYS 308 HB2 0.02 0.18 0.04 -0.04 1.87 2.08 2z81A1 LYS 308 HB3 0.01 -0.06 0.17 -0.04 1.79 1.87 2z81A1 LYS 308 HG2 0.02 -0.05 -0.05 -0.04 1.46 1.34 2z81A1 LYS 308 HG3 0.02 -0.03 0.05 -0.04 1.46 1.46 2z81A1 LYS 308 HD2 0.01 0.11 0.08 -0.04 1.69 1.85 2z81A1 LYS 308 HD3 0.01 -0.05 0.03 -0.04 1.68 1.63 2z81A1 LYS 308 HE2 0.01 -0.06 -0.01 -0.04 2.99 2.90 2z81A1 LYS 308 HE3 0.01 0.02 0.01 -0.04 2.99 2.99 2z81A1 VAL 309 H 0.04 0.30 -0.23 -0.55 8.24 7.80 2z81A1 VAL 309 HA 0.03 -0.02 0.39 -0.75 4.13 3.78 2z81A1 VAL 309 HB 0.06 0.02 0.04 -0.04 2.12 2.21 2z81A1 VAL 309 HG13 0.07 -0.06 -0.28 -0.04 0.97 0.67 2z81A1 VAL 309 HG23 0.06 -0.02 -0.10 -0.04 0.95 0.85 2z81A1 GLU 310 H 0.02 0.51 0.48 -0.55 8.60 9.06 2z81A1 GLU 310 HA 0.03 0.18 1.02 -0.75 4.29 4.76 2z81A1 GLU 310 HB2 0.01 -0.15 0.24 -0.04 2.09 2.15 2z81A1 GLU 310 HB3 0.01 0.15 0.02 -0.04 1.99 2.13 2z81A1 GLU 310 HG2 -0.00 0.15 0.26 -0.04 2.34 2.71 2z81A1 GLU 310 HG3 -0.01 -0.06 0.03 -0.04 2.34 2.26 2z81A1 THR 311 H 0.02 0.42 0.36 -0.55 8.28 8.52 2z81A1 THR 311 HA 0.02 0.27 1.14 -0.75 4.39 5.07 2z81A1 THR 311 HB -0.02 -0.03 0.26 -0.04 4.32 4.49 2z81A1 THR 311 HG23 -0.02 -0.02 -0.13 -0.04 1.22 1.00 2z81A1 VAL 312 H 0.06 0.70 0.37 -0.55 8.24 8.82 2z81A1 VAL 312 HA 0.11 0.23 1.03 -0.75 4.13 4.75 2z81A1 VAL 312 HB 0.10 -0.02 0.17 -0.04 2.12 2.33 2z81A1 VAL 312 HG13 0.18 -0.02 -0.14 -0.04 0.97 0.96 2z81A1 VAL 312 HG23 0.12 0.00 -0.21 -0.04 0.95 0.82 2z81A1 THR 313 H 0.12 0.65 0.37 -0.55 8.28 8.88 2z81A1 THR 313 HA 0.09 0.13 1.15 -0.75 4.39 5.01 2z81A1 THR 313 HB 0.04 -0.01 0.15 -0.04 4.32 4.47 2z81A1 THR 313 HG23 0.05 -0.02 -0.17 -0.04 1.22 1.04 2z81A1 ILE 314 H 0.08 0.88 0.36 -0.55 8.25 9.03 2z81A1 ILE 314 HA 0.18 0.23 1.10 -0.75 4.18 4.94 2z81A1 ILE 314 HB 0.04 0.01 0.26 -0.04 1.89 2.16 2z81A1 ILE 314 HG12 0.18 0.01 -0.06 -0.04 1.49 1.59 2z81A1 ILE 314 HG13 0.17 -0.06 -0.37 -0.04 1.21 0.91 2z81A1 ILE 314 HG23 0.02 -0.01 -0.11 -0.04 0.93 0.78 2z81A1 ILE 314 HD13 -0.04 -0.00 -0.08 -0.04 0.88 0.72 2z81A1 ARG 315 H 0.11 0.68 0.36 -0.55 8.46 9.06 2z81A1 ARG 315 HA 0.04 0.19 1.00 -0.75 4.34 4.82 2z81A1 ARG 315 HB2 0.07 -0.08 0.12 -0.04 1.90 1.97 2z81A1 ARG 315 HB3 0.05 0.03 0.02 -0.04 1.80 1.86 2z81A1 ARG 315 HG2 0.05 0.03 -0.17 -0.04 1.67 1.54 2z81A1 ARG 315 HG3 0.06 -0.03 -0.39 -0.04 1.67 1.27 2z81A1 ARG 315 HD2 0.05 -0.02 -0.08 -0.04 3.22 3.13 2z81A1 ARG 315 HD3 0.04 0.01 -0.07 -0.04 3.22 3.16 2z81A1 ARG 316 H 0.03 0.63 0.17 -0.55 8.46 8.73 2z81A1 ARG 316 HA 0.03 0.47 0.47 -0.75 4.34 4.56 2z81A1 ARG 316 HB2 0.05 -0.11 0.03 -0.04 1.90 1.83 2z81A1 ARG 316 HB3 0.04 0.02 0.21 -0.04 1.80 2.03 2z81A1 ARG 316 HG2 0.02 0.12 0.12 -0.04 1.67 1.89 2z81A1 ARG 316 HG3 0.03 -0.09 -0.04 -0.04 1.67 1.52 2z81A1 ARG 316 HD2 0.03 0.02 0.03 -0.04 3.22 3.26 2z81A1 ARG 316 HD3 0.03 0.00 -0.00 -0.04 3.22 3.21 2z81A1 LEU 317 H 0.02 0.11 -0.11 -0.55 8.37 7.85 2z81A1 LEU 317 HA 0.04 0.21 0.71 -0.75 4.35 4.55 2z81A1 LEU 317 HB2 -0.01 -0.02 -0.10 -0.04 1.64 1.47 2z81A1 LEU 317 HB3 -0.02 -0.02 0.02 -0.04 1.64 1.57 2z81A1 LEU 317 HG -0.05 -0.01 -0.49 -0.04 1.64 1.05 2z81A1 LEU 317 HD13 -0.09 0.02 -0.24 -0.04 0.93 0.58 2z81A1 LEU 317 HD23 -0.15 -0.01 -0.13 -0.04 0.89 0.56 2z81A1 HIS 318 H 0.10 0.63 0.31 -0.55 8.41 8.91 2z81A1 HIS 318 HA -0.00 0.17 0.91 -0.75 4.63 4.95 2z81A1 HIS 318 HB2 0.01 0.05 -0.04 -0.04 3.26 3.24 2z81A1 HIS 318 HB3 0.02 0.03 0.19 -0.04 3.20 3.38 2z81A1 HIS 318 HD2 0.02 0.00 -0.05 -0.04 6.97 6.90 2z81A1 HIS 318 HE1 0.03 0.05 -0.16 -0.04 7.75 7.63 2z81A1 ILE 319 H 0.16 0.29 0.02 -0.55 8.25 8.17 2z81A1 ILE 319 HA -0.07 0.31 0.93 -0.75 4.18 4.59 2z81A1 ILE 319 HB 0.03 0.02 0.14 -0.04 1.89 2.04 2z81A1 ILE 319 HG12 -0.04 0.05 -0.24 -0.04 1.49 1.22 2z81A1 ILE 319 HG13 -0.09 0.01 -0.08 -0.04 1.21 1.00 2z81A1 ILE 319 HG23 0.21 -0.02 -0.17 -0.04 0.93 0.91 2z81A1 ILE 319 HD13 -0.07 0.01 -0.22 -0.04 0.88 0.55 2z81A1 PRO 320 HA 0.10 0.08 0.38 -0.51 4.44 4.50 2z81A1 PRO 320 HB2 -0.07 -0.13 0.18 -0.04 2.28 2.21 2z81A1 PRO 320 HB3 -0.02 0.05 0.06 -0.04 2.02 2.07 2z81A1 PRO 320 HG2 -0.19 0.01 0.00 -0.04 2.03 1.81 2z81A1 PRO 320 HG3 -0.58 0.05 -0.02 -0.04 2.03 1.44 2z81A1 PRO 320 HD2 -0.14 0.28 0.20 -0.04 3.68 3.97 2z81A1 PRO 320 HD3 -0.58 0.29 -0.10 -0.04 3.65 3.22 2z81A1 GLN 321 H -0.00 0.12 -0.02 -0.55 8.47 8.02 2z81A1 GLN 321 HA 0.06 0.24 1.02 -0.75 4.36 4.93 2z81A1 GLN 321 HB2 -0.28 0.01 0.19 -0.04 2.15 2.03 2z81A1 GLN 321 HB3 -0.82 -0.03 0.06 -0.04 2.02 1.19 2z81A1 GLN 321 HG2 0.08 0.11 -0.07 -0.04 2.40 2.47 2z81A1 GLN 321 HG3 -0.02 -0.07 -0.27 -0.04 2.39 1.99 2z81A1 GLN 321 HE21 -0.01 0.03 0.00 -0.04 6.97 6.96 2z81A1 GLN 321 HE22 -0.12 -0.03 0.02 -0.04 7.69 7.52 2z81A1 PHE 322 H 0.26 0.34 0.03 -0.55 8.34 8.42 2z81A1 PHE 322 HA 0.13 0.06 0.38 -0.75 4.62 4.43 2z81A1 PHE 322 HB2 -0.02 0.11 0.09 -0.04 3.15 3.29 2z81A1 PHE 322 HB3 0.05 0.03 0.02 -0.04 3.06 3.12 2z81A1 PHE 322 HD2 -0.24 0.00 -0.04 -0.04 7.28 6.96 2z81A1 PHE 322 HE2 -0.38 0.00 -0.01 -0.04 7.38 6.95 2z81A1 PHE 322 HZ -0.32 0.01 0.01 -0.04 7.32 6.98 2z81A1 TYR 323 H 0.14 0.08 -0.35 -0.55 8.29 7.61 2z81A1 TYR 323 HA 0.07 0.16 0.53 -0.75 4.56 4.56 2z81A1 TYR 323 HB2 0.06 0.04 0.14 -0.04 3.06 3.27 2z81A1 TYR 323 HB3 0.10 -0.02 0.07 -0.04 2.98 3.09 2z81A1 TYR 323 HD2 0.06 -0.00 -0.07 -0.04 7.15 7.10 2z81A1 TYR 323 HE2 0.04 0.02 -0.03 -0.04 6.85 6.84 2z81A1 LEU 324 H -0.09 0.29 -0.61 -0.55 8.37 7.41 2z81A1 LEU 324 HA -0.07 0.22 0.73 -0.75 4.35 4.47 2z81A1 LEU 324 HB2 -0.30 0.08 0.14 -0.04 1.64 1.52 2z81A1 LEU 324 HB3 -0.26 -0.08 -0.13 -0.04 1.64 1.13 2z81A1 LEU 324 HG -0.94 -0.13 -0.13 -0.04 1.64 0.40 2z81A1 LEU 324 HD13 -0.24 0.03 0.06 -0.04 0.93 0.74 2z81A1 LEU 324 HD23 -0.07 0.03 -0.04 -0.04 0.89 0.77 2z81A1 PHE 325 H 0.09 0.34 -0.31 -0.55 8.34 7.91 2z81A1 PHE 325 HA 0.01 0.01 0.91 -0.75 4.62 4.80 2z81A1 PHE 325 HB2 -0.59 0.17 0.11 -0.04 3.15 2.80 2z81A1 PHE 325 HB3 -0.30 -0.00 0.08 -0.04 3.06 2.79 2z81A1 PHE 325 HD2 -0.25 0.01 -0.03 -0.04 7.28 6.98 2z81A1 PHE 325 HE2 -0.11 -0.00 -0.17 -0.04 7.38 7.06 2z81A1 PHE 325 HZ -0.10 0.06 -0.38 -0.04 7.32 6.85 2z81A1 TYR 326 H 0.48 0.04 0.09 -0.55 8.29 8.34 2z81A1 TYR 326 HA -0.02 0.20 0.51 -0.75 4.56 4.50 2z81A1 TYR 326 HB2 -0.08 -0.08 0.15 -0.04 3.06 3.02 2z81A1 TYR 326 HB3 -0.09 0.14 0.08 -0.04 2.98 3.08 2z81A1 TYR 326 HD2 -0.01 -0.06 0.03 -0.04 7.15 7.08 2z81A1 TYR 326 HE2 0.11 -0.01 -0.04 -0.04 6.85 6.86 2z81A1 ASP 327 H 0.11 0.16 0.08 -0.55 8.40 8.21 2z81A1 ASP 327 HA -0.12 0.12 0.42 -0.75 4.63 4.29 2z81A1 ASP 327 HB2 -0.01 0.05 0.12 -0.04 2.71 2.82 2z81A1 ASP 327 HB3 0.01 -0.01 0.21 -0.04 2.70 2.87 2z81A1 LEU 328 H -0.30 0.44 0.24 -0.55 8.37 8.20 2z81A1 LEU 328 HA -0.55 -0.02 0.40 -0.75 4.35 3.42 2z81A1 LEU 328 HB2 -0.17 0.04 0.21 -0.04 1.64 1.67 2z81A1 LEU 328 HB3 -0.18 -0.05 0.10 -0.04 1.64 1.48 2z81A1 LEU 328 HG -0.35 0.38 0.05 -0.04 1.64 1.69 2z81A1 LEU 328 HD13 -0.38 -0.01 0.02 -0.04 0.93 0.52 2z81A1 LEU 328 HD23 -0.29 -0.04 -0.04 -0.04 0.89 0.48 2z81A1 SER 329 H -0.22 0.48 0.35 -0.55 8.46 8.51 2z81A1 SER 329 HA -0.72 0.20 0.81 -0.75 4.49 4.02 2z81A1 SER 329 HB2 -0.36 -0.00 -0.10 -0.04 3.95 3.45 2z81A1 SER 329 HB3 -0.22 0.06 0.03 -0.04 3.93 3.76 2z81A1 THR 330 H -0.06 0.08 0.12 -0.55 8.28 7.87 2z81A1 THR 330 HA 0.03 0.14 0.45 -0.75 4.39 4.25 2z81A1 THR 330 HB 0.10 0.02 0.06 -0.04 4.32 4.46 2z81A1 THR 330 HG23 0.13 -0.01 -0.03 -0.04 1.22 1.26 2z81A1 VAL 331 H 0.09 0.06 -0.37 -0.55 8.24 7.47 2z81A1 VAL 331 HA 0.17 0.13 0.33 -0.75 4.13 4.00 2z81A1 VAL 331 HB 0.12 0.05 -0.02 -0.04 2.12 2.23 2z81A1 VAL 331 HG13 0.07 -0.01 -0.06 -0.04 0.97 0.93 2z81A1 VAL 331 HG23 0.05 0.00 -0.23 -0.04 0.95 0.73 2z81A1 TYR 332 H 0.39 0.28 -0.72 -0.55 8.29 7.69 2z81A1 TYR 332 HA 0.22 0.09 0.40 -0.75 4.56 4.51 2z81A1 TYR 332 HB2 -0.19 0.24 0.15 -0.04 3.06 3.22 2z81A1 TYR 332 HB3 -0.71 0.03 -0.00 -0.04 2.98 2.26 2z81A1 TYR 332 HD2 -0.39 -0.07 -0.10 -0.04 7.15 6.54 2z81A1 TYR 332 HE2 -0.02 0.01 -0.14 -0.04 6.85 6.66 2z81A1 SER 333 H 0.14 0.24 -0.10 -0.55 8.46 8.20 2z81A1 SER 333 HA 0.14 0.10 0.59 -0.75 4.49 4.56 2z81A1 SER 333 HB2 0.08 0.09 0.15 -0.04 3.95 4.23 2z81A1 SER 333 HB3 0.08 0.01 0.13 -0.04 3.93 4.10 2z81A1 LEU 334 H 0.15 0.06 -0.45 -0.55 8.37 7.59 2z81A1 LEU 334 HA 0.09 0.14 0.32 -0.75 4.35 4.15 2z81A1 LEU 334 HB2 0.17 0.05 0.08 -0.04 1.64 1.90 2z81A1 LEU 334 HB3 0.14 -0.03 -0.15 -0.04 1.64 1.56 2z81A1 LEU 334 HG 0.12 0.19 -0.10 -0.04 1.64 1.81 2z81A1 LEU 334 HD13 0.18 -0.05 -0.13 -0.04 0.93 0.89 2z81A1 LEU 334 HD23 0.07 0.07 -0.49 -0.04 0.89 0.50 2z81A1 LEU 335 H 0.15 0.36 -0.23 -0.55 8.37 8.10 2z81A1 LEU 335 HA 0.09 0.20 0.81 -0.75 4.35 4.70 2z81A1 LEU 335 HB2 0.06 0.08 -0.00 -0.04 1.64 1.74 2z81A1 LEU 335 HB3 0.06 -0.03 0.09 -0.04 1.64 1.72 2z81A1 LEU 335 HG 0.22 0.11 -0.04 -0.04 1.64 1.88 2z81A1 LEU 335 HD13 0.33 -0.02 -0.08 -0.04 0.93 1.11 2z81A1 LEU 335 HD23 0.14 0.01 -0.25 -0.04 0.89 0.76 2z81A1 GLU 336 H 0.09 0.23 -0.40 -0.55 8.60 7.98 2z81A1 GLU 336 HA 0.05 0.19 0.52 -0.75 4.29 4.29 2z81A1 GLU 336 HB2 0.07 -0.05 0.11 -0.04 2.09 2.17 2z81A1 GLU 336 HB3 0.12 0.08 0.20 -0.04 1.99 2.35 2z81A1 GLU 336 HG2 0.08 0.19 0.01 -0.04 2.34 2.58 2z81A1 GLU 336 HG3 0.06 -0.04 -0.04 -0.04 2.34 2.27 2z81A1 LYS 337 H 0.05 0.11 -0.31 -0.55 8.42 7.72 2z81A1 LYS 337 HA 0.03 0.17 0.85 -0.75 4.32 4.62 2z81A1 LYS 337 HB2 0.04 0.11 -0.04 -0.04 1.87 1.94 2z81A1 LYS 337 HB3 0.03 0.00 0.09 -0.04 1.79 1.87 2z81A1 LYS 337 HG2 0.03 0.01 -0.15 -0.04 1.46 1.31 2z81A1 LYS 337 HG3 0.04 -0.06 -0.06 -0.04 1.46 1.34 2z81A1 LYS 337 HD2 0.02 -0.00 -0.00 -0.04 1.69 1.67 2z81A1 LYS 337 HD3 0.03 -0.07 -0.01 -0.04 1.68 1.58 2z81A1 LYS 337 HE2 0.03 0.17 0.03 -0.04 2.99 3.19 2z81A1 LYS 337 HE3 0.03 -0.07 0.01 -0.04 2.99 2.92 2z81A1 VAL 338 H 0.04 0.18 -0.31 -0.55 8.24 7.60 2z81A1 VAL 338 HA 0.03 0.11 0.50 -0.75 4.13 4.02 2z81A1 VAL 338 HB 0.03 0.06 0.03 -0.04 2.12 2.20 2z81A1 VAL 338 HG13 0.04 -0.07 -0.34 -0.04 0.97 0.56 2z81A1 VAL 338 HG23 0.07 -0.01 -0.10 -0.04 0.95 0.87 2z81A1 LYS 339 H 0.02 0.40 0.42 -0.55 8.42 8.70 2z81A1 LYS 339 HA 0.02 0.28 0.74 -0.75 4.32 4.60 2z81A1 LYS 339 HB2 0.00 0.03 0.19 -0.04 1.87 2.05 2z81A1 LYS 339 HB3 0.01 -0.11 0.13 -0.04 1.79 1.78 2z81A1 LYS 339 HG2 0.01 0.16 -0.01 -0.04 1.46 1.58 2z81A1 LYS 339 HG3 0.01 0.12 0.06 -0.04 1.46 1.60 2z81A1 LYS 339 HD2 -0.00 -0.04 0.06 -0.04 1.69 1.66 2z81A1 LYS 339 HD3 0.00 -0.06 0.05 -0.04 1.68 1.63 2z81A1 LYS 339 HE2 0.01 0.04 0.03 -0.04 2.99 3.03 2z81A1 LYS 339 HE3 0.01 0.03 0.04 -0.04 2.99 3.02 2z81A1 ARG 340 H 0.03 0.58 0.36 -0.55 8.46 8.87 2z81A1 ARG 340 HA 0.15 0.23 1.08 -0.75 4.34 5.04 2z81A1 ARG 340 HB2 0.00 -0.05 0.21 -0.04 1.90 2.02 2z81A1 ARG 340 HB3 0.06 -0.05 0.04 -0.04 1.80 1.81 2z81A1 ARG 340 HG2 0.00 0.02 -0.01 -0.04 1.67 1.65 2z81A1 ARG 340 HG3 -0.02 0.00 -0.27 -0.04 1.67 1.34 2z81A1 ARG 340 HD2 -0.14 0.03 -0.04 -0.04 3.22 3.02 2z81A1 ARG 340 HD3 -0.11 -0.01 -0.03 -0.04 3.22 3.03 2z81A1 ILE 341 H 0.11 0.63 0.34 -0.55 8.25 8.77 2z81A1 ILE 341 HA 0.07 0.32 1.11 -0.75 4.18 4.92 2z81A1 ILE 341 HB -0.08 0.00 0.11 -0.04 1.89 1.88 2z81A1 ILE 341 HG12 0.05 0.01 -0.02 -0.04 1.49 1.49 2z81A1 ILE 341 HG13 0.01 -0.01 -0.49 -0.04 1.21 0.68 2z81A1 ILE 341 HG23 0.01 -0.03 -0.21 -0.04 0.93 0.66 2z81A1 ILE 341 HD13 0.00 0.00 -0.09 -0.04 0.88 0.76 2z81A1 THR 342 H 0.07 0.64 0.41 -0.55 8.28 8.85 2z81A1 THR 342 HA 0.02 0.17 1.10 -0.75 4.39 4.93 2z81A1 THR 342 HB 0.08 -0.07 0.26 -0.04 4.32 4.55 2z81A1 THR 342 HG23 0.06 -0.01 -0.08 -0.04 1.22 1.16 2z81A1 VAL 343 H -0.02 0.72 0.21 -0.55 8.24 8.60 2z81A1 VAL 343 HA 0.02 0.17 0.85 -0.75 4.13 4.41 2z81A1 VAL 343 HB -0.03 -0.02 0.17 -0.04 2.12 2.21 2z81A1 VAL 343 HG13 -0.04 -0.03 -0.09 -0.04 0.97 0.78 2z81A1 VAL 343 HG23 0.01 -0.00 -0.18 -0.04 0.95 0.73 2z81A1 GLU 344 H 0.03 0.73 0.23 -0.55 8.60 9.03 2z81A1 GLU 344 HA 0.01 0.31 0.84 -0.75 4.29 4.69 2z81A1 GLU 344 HB2 0.03 -0.06 -0.01 -0.04 2.09 2.01 2z81A1 GLU 344 HB3 0.03 0.01 0.16 -0.04 1.99 2.16 2z81A1 GLU 344 HG2 0.02 0.03 -0.29 -0.04 2.34 2.06 2z81A1 GLU 344 HG3 0.02 -0.02 -0.08 -0.04 2.34 2.21 2z81A1 ASN 345 H 0.01 0.66 0.23 -0.55 8.53 8.88 2z81A1 ASN 345 HA 0.01 0.52 0.57 -0.75 4.76 5.10 2z81A1 ASN 345 HB2 0.02 -0.03 0.04 -0.04 2.88 2.87 2z81A1 ASN 345 HB3 0.02 -0.08 0.09 -0.04 2.79 2.78 2z81A1 ASN 345 HD21 0.01 0.02 0.06 -0.04 7.03 7.07 2z81A1 ASN 345 HD22 0.02 -0.04 0.06 -0.04 7.74 7.73 2z81A1 SER 346 H -0.01 0.09 -0.20 -0.55 8.46 7.80 2z81A1 SER 346 HA 0.00 0.30 0.91 -0.75 4.49 4.95 2z81A1 SER 346 HB2 -0.03 -0.02 -0.15 -0.04 3.95 3.71 2z81A1 SER 346 HB3 -0.04 0.07 0.13 -0.04 3.93 4.05 2z81A1 LYS 347 H -0.00 0.17 -0.01 -0.55 8.42 8.02 2z81A1 LYS 347 HA -0.00 0.03 0.27 -0.75 4.32 3.87 2z81A1 LYS 347 HB2 -0.01 0.17 -0.10 -0.04 1.87 1.89 2z81A1 LYS 347 HB3 0.00 -0.02 0.16 -0.04 1.79 1.89 2z81A1 LYS 347 HG2 -0.01 0.02 -0.02 -0.04 1.46 1.41 2z81A1 LYS 347 HG3 -0.00 -0.03 -0.17 -0.04 1.46 1.22 2z81A1 LYS 347 HD2 0.02 0.02 -0.08 -0.04 1.69 1.61 2z81A1 LYS 347 HD3 -0.00 -0.01 -0.02 -0.04 1.68 1.61 2z81A1 LYS 347 HE2 -0.03 -0.00 -0.04 -0.04 2.99 2.88 2z81A1 LYS 347 HE3 -0.03 0.03 -0.07 -0.04 2.99 2.88 2z81A1 VAL 348 H -0.03 -0.00 -0.19 -0.55 8.24 7.47 2z81A1 VAL 348 HA -0.15 0.15 0.55 -0.75 4.13 3.93 2z81A1 VAL 348 HB -0.04 -0.03 0.05 -0.04 2.12 2.06 2z81A1 VAL 348 HG13 -0.09 0.02 -0.21 -0.04 0.97 0.64 2z81A1 VAL 348 HG23 -0.09 0.02 -0.11 -0.04 0.95 0.72 2z81A1 PHE 349 H -0.38 0.16 0.22 -0.55 8.34 7.78 2z81A1 PHE 349 HA -0.10 0.12 0.63 -0.75 4.62 4.52 2z81A1 PHE 349 HB2 -0.31 0.05 0.10 -0.04 3.15 2.95 2z81A1 PHE 349 HB3 -0.19 0.05 -0.12 -0.04 3.06 2.76 2z81A1 PHE 349 HD2 -0.43 0.03 -0.07 -0.04 7.28 6.77 2z81A1 PHE 349 HE2 -0.16 -0.01 -0.03 -0.04 7.38 7.15 2z81A1 PHE 349 HZ -0.08 -0.01 -0.02 -0.04 7.32 7.17 2z81A1 LEU 350 H -0.49 0.10 0.09 -0.55 8.37 7.52 2z81A1 LEU 350 HA -0.02 0.09 0.48 -0.75 4.35 4.15 2z81A1 LEU 350 HB2 -0.10 0.13 -0.18 -0.04 1.64 1.46 2z81A1 LEU 350 HB3 -0.89 -0.03 -0.08 -0.04 1.64 0.60 2z81A1 LEU 350 HG -0.07 -0.01 -0.47 -0.04 1.64 1.04 2z81A1 LEU 350 HD13 0.16 -0.03 -0.06 -0.04 0.93 0.95 2z81A1 LEU 350 HD23 0.10 -0.00 -0.07 -0.04 0.89 0.87 2z81A1 VAL 351 H 0.06 0.26 -0.03 -0.55 8.24 7.98 2z81A1 VAL 351 HA 0.08 0.17 0.73 -0.75 4.13 4.35 2z81A1 VAL 351 HB 0.32 0.00 0.15 -0.04 2.12 2.55 2z81A1 VAL 351 HG13 0.49 0.03 -0.08 -0.04 0.97 1.37 2z81A1 VAL 351 HG23 0.18 -0.01 -0.16 -0.04 0.95 0.92 2z81A1 PRO 352 HA 0.04 0.02 0.36 -0.51 4.44 4.36 2z81A1 PRO 352 HB2 0.12 -0.07 -0.00 -0.04 2.28 2.29 2z81A1 PRO 352 HB3 0.05 0.07 0.07 -0.04 2.02 2.17 2z81A1 PRO 352 HG2 0.10 -0.04 0.06 -0.04 2.03 2.11 2z81A1 PRO 352 HG3 0.02 0.10 0.04 -0.04 2.03 2.14 2z81A1 PRO 352 HD2 -0.01 0.14 0.15 -0.04 3.68 3.93 2z81A1 PRO 352 HD3 -0.07 0.17 -0.04 -0.04 3.65 3.67 2z81A1 CYS 353 H 0.01 0.11 0.13 -0.55 8.50 8.21 2z81A1 CYS 353 HA -0.12 0.25 0.47 -0.75 4.58 4.42 2z81A1 CYS 353 HB2 -0.06 0.28 0.24 -0.04 2.97 3.39 2z81A1 CYS 353 HB3 -0.00 -0.14 0.17 -0.04 2.97 2.96 2z81A1 SER 354 H 0.10 0.06 -0.13 -0.55 8.46 7.95 2z81A1 SER 354 HA 0.13 0.11 0.34 -0.75 4.49 4.31 2z81A1 SER 354 HB2 0.41 0.06 -0.01 -0.04 3.95 4.37 2z81A1 SER 354 HB3 0.17 0.02 0.06 -0.04 3.93 4.14 2z81A1 PHE 355 H 0.15 0.14 -0.41 -0.55 8.34 7.66 2z81A1 PHE 355 HA -1.00 0.06 0.45 -0.75 4.62 3.37 2z81A1 PHE 355 HB2 -0.49 -0.08 0.03 -0.04 3.15 2.57 2z81A1 PHE 355 HB3 -0.16 0.18 0.04 -0.04 3.06 3.09 2z81A1 PHE 355 HD2 -0.60 -0.03 -0.08 -0.04 7.28 6.52 2z81A1 PHE 355 HE2 -0.06 0.05 -0.17 -0.04 7.38 7.16 2z81A1 PHE 355 HZ -0.03 0.01 -0.10 -0.04 7.32 7.16 2z81A1 SER 356 H -0.02 0.49 -0.07 -0.55 8.46 8.32 2z81A1 SER 356 HA -0.06 0.01 0.41 -0.75 4.49 4.10 2z81A1 SER 356 HB2 -0.39 0.08 0.19 -0.04 3.95 3.78 2z81A1 SER 356 HB3 -1.17 -0.09 0.14 -0.04 3.93 2.78 2z81A1 GLN 357 H -0.09 0.42 -0.30 -0.55 8.47 7.96 2z81A1 GLN 357 HA -0.12 0.26 0.41 -0.75 4.36 4.16 2z81A1 GLN 357 HB2 -0.03 0.03 0.02 -0.04 2.15 2.12 2z81A1 GLN 357 HB3 -0.11 -0.02 0.00 -0.04 2.02 1.86 2z81A1 GLN 357 HG2 -0.12 -0.01 -0.37 -0.04 2.40 1.86 2z81A1 GLN 357 HG3 -0.10 0.27 -0.11 -0.04 2.39 2.41 2z81A1 GLN 357 HE21 -0.04 -0.03 -0.07 -0.04 6.97 6.79 2z81A1 GLN 357 HE22 -0.08 -0.17 -0.13 -0.04 7.69 7.28 2z81A1 HIS 358 H 0.01 0.29 -0.44 -0.55 8.41 7.73 2z81A1 HIS 358 HA -0.00 0.08 0.66 -0.75 4.63 4.61 2z81A1 HIS 358 HB2 -0.16 0.11 0.19 -0.04 3.26 3.36 2z81A1 HIS 358 HB3 0.01 0.09 0.10 -0.04 3.20 3.35 2z81A1 HIS 358 HD2 0.12 0.02 -0.02 -0.04 6.97 7.04 2z81A1 HIS 358 HE1 0.21 -0.10 -0.03 -0.04 7.75 7.79 2z81A1 LEU 359 H -0.08 0.30 -0.34 -0.55 8.37 7.71 2z81A1 LEU 359 HA -0.03 0.16 0.57 -0.75 4.35 4.30 2z81A1 LEU 359 HB2 0.13 0.04 0.26 -0.04 1.64 2.02 2z81A1 LEU 359 HB3 -0.04 -0.02 0.14 -0.04 1.64 1.67 2z81A1 LEU 359 HG -0.49 0.21 0.05 -0.04 1.64 1.36 2z81A1 LEU 359 HD13 -0.26 -0.04 -0.04 -0.04 0.93 0.55 2z81A1 LEU 359 HD23 -0.35 0.00 -0.16 -0.04 0.89 0.34 2z81A1 LYS 360 H 0.01 0.48 -0.16 -0.55 8.42 8.20 2z81A1 LYS 360 HA 0.02 0.06 0.38 -0.75 4.32 4.02 2z81A1 LYS 360 HB2 0.01 0.07 0.11 -0.04 1.87 2.02 2z81A1 LYS 360 HB3 0.00 -0.06 0.08 -0.04 1.79 1.78 2z81A1 LYS 360 HG2 -0.03 0.05 0.05 -0.04 1.46 1.49 2z81A1 LYS 360 HG3 -0.02 0.07 -0.02 -0.04 1.46 1.45 2z81A1 LYS 360 HD2 0.00 -0.00 0.07 -0.04 1.69 1.72 2z81A1 LYS 360 HD3 -0.01 -0.06 0.04 -0.04 1.68 1.61 2z81A1 LYS 360 HE2 -0.10 0.01 0.08 -0.04 2.99 2.94 2z81A1 LYS 360 HE3 -0.04 -0.10 0.04 -0.04 2.99 2.85 2z81A1 SER 361 H 0.02 0.23 -0.16 -0.55 8.46 8.01 2z81A1 SER 361 HA 0.02 0.15 0.81 -0.75 4.49 4.72 2z81A1 SER 361 HB2 0.02 0.07 -0.30 -0.04 3.95 3.70 2z81A1 SER 361 HB3 0.02 -0.06 -0.01 -0.04 3.93 3.84 2z81A1 LEU 362 H 0.02 0.11 -0.32 -0.55 8.37 7.63 2z81A1 LEU 362 HA 0.00 0.05 0.43 -0.75 4.35 4.08 2z81A1 LEU 362 HB2 -0.02 0.00 0.05 -0.04 1.64 1.63 2z81A1 LEU 362 HB3 0.00 -0.00 0.03 -0.04 1.64 1.63 2z81A1 LEU 362 HG -0.15 -0.07 -0.33 -0.04 1.64 1.06 2z81A1 LEU 362 HD13 -0.05 -0.00 -0.27 -0.04 0.93 0.57 2z81A1 LEU 362 HD23 -0.35 -0.03 -0.07 -0.04 0.89 0.40 2z81A1 GLU 363 H 0.02 0.64 0.47 -0.55 8.60 9.18 2z81A1 GLU 363 HA 0.02 0.27 0.88 -0.75 4.29 4.71 2z81A1 GLU 363 HB2 0.04 0.01 0.19 -0.04 2.09 2.29 2z81A1 GLU 363 HB3 0.03 -0.12 0.15 -0.04 1.99 2.02 2z81A1 GLU 363 HG2 0.02 0.11 -0.04 -0.04 2.34 2.39 2z81A1 GLU 363 HG3 0.02 0.29 -0.02 -0.04 2.34 2.60 2z81A1 PHE 364 H 0.08 0.45 0.40 -0.55 8.34 8.72 2z81A1 PHE 364 HA -0.10 0.22 1.05 -0.75 4.62 5.03 2z81A1 PHE 364 HB2 -0.07 0.04 -0.00 -0.04 3.15 3.07 2z81A1 PHE 364 HB3 -0.07 -0.01 0.25 -0.04 3.06 3.19 2z81A1 PHE 364 HD2 -0.08 -0.03 -0.10 -0.04 7.28 7.03 2z81A1 PHE 364 HE2 -0.07 -0.04 -0.12 -0.04 7.38 7.11 2z81A1 PHE 364 HZ -0.05 -0.06 -0.09 -0.04 7.32 7.07 2z81A1 LEU 365 H -0.69 0.60 0.31 -0.55 8.37 8.04 2z81A1 LEU 365 HA -0.36 0.30 1.01 -0.75 4.35 4.54 2z81A1 LEU 365 HB2 -0.62 0.07 -0.10 -0.04 1.64 0.95 2z81A1 LEU 365 HB3 -0.65 0.00 0.14 -0.04 1.64 1.09 2z81A1 LEU 365 HG -0.50 -0.11 -0.32 -0.04 1.64 0.67 2z81A1 LEU 365 HD13 -0.30 0.03 -0.05 -0.04 0.93 0.57 2z81A1 LEU 365 HD23 -1.45 0.00 -0.09 -0.04 0.89 -0.69 2z81A1 ASP 366 H -0.28 0.68 0.38 -0.55 8.40 8.63 2z81A1 ASP 366 HA -0.31 0.09 1.07 -0.75 4.63 4.73 2z81A1 ASP 366 HB2 -0.25 0.05 -0.00 -0.04 2.71 2.47 2z81A1 ASP 366 HB3 0.02 -0.02 0.27 -0.04 2.70 2.94 2z81A1 LEU 367 H -0.13 0.79 0.25 -0.55 8.37 8.73 2z81A1 LEU 367 HA -0.05 0.35 0.89 -0.75 4.35 4.78 2z81A1 LEU 367 HB2 -0.05 0.05 0.11 -0.04 1.64 1.70 2z81A1 LEU 367 HB3 -0.02 -0.08 0.16 -0.04 1.64 1.66 2z81A1 LEU 367 HG -0.19 -0.02 -0.31 -0.04 1.64 1.07 2z81A1 LEU 367 HD13 -0.02 -0.01 -0.11 -0.04 0.93 0.75 2z81A1 LEU 367 HD23 -0.06 0.02 -0.04 -0.04 0.89 0.77 2z81A1 SER 368 H -0.03 0.05 -0.23 -0.55 8.46 7.70 2z81A1 SER 368 HA 0.00 -0.03 0.21 -0.75 4.49 3.92 2z81A1 SER 368 HB2 0.01 0.02 0.02 -0.04 3.95 3.96 2z81A1 SER 368 HB3 0.01 0.03 0.02 -0.04 3.93 3.95 2z81A1 GLU 369 H 0.01 -0.04 0.16 -0.55 8.60 8.18 2z81A1 GLU 369 HA 0.01 0.50 0.59 -0.75 4.29 4.64 2z81A1 GLU 369 HB2 0.01 -0.10 0.16 -0.04 2.09 2.12 2z81A1 GLU 369 HB3 0.01 0.06 0.28 -0.04 1.99 2.30 2z81A1 GLU 369 HG2 0.00 0.10 0.12 -0.04 2.34 2.52 2z81A1 GLU 369 HG3 0.01 -0.19 -0.19 -0.04 2.34 1.93 2z81A1 ASN 370 H 0.04 0.14 -0.04 -0.55 8.53 8.12 2z81A1 ASN 370 HA 0.03 0.03 0.96 -0.75 4.76 5.02 2z81A1 ASN 370 HB2 0.02 0.15 0.07 -0.04 2.88 3.07 2z81A1 ASN 370 HB3 0.01 0.10 0.29 -0.04 2.79 3.15 2z81A1 ASN 370 HD21 -0.01 0.33 0.01 -0.04 7.03 7.32 2z81A1 ASN 370 HD22 -0.01 0.31 -0.13 -0.04 7.74 7.86 2z81A1 LEU 371 H 0.03 0.70 0.18 -0.55 8.37 8.73 2z81A1 LEU 371 HA 0.01 0.24 0.90 -0.75 4.35 4.75 2z81A1 LEU 371 HB2 0.00 0.05 -0.18 -0.04 1.64 1.47 2z81A1 LEU 371 HB3 -0.18 -0.03 0.15 -0.04 1.64 1.54 2z81A1 LEU 371 HG -0.20 0.05 -0.07 -0.04 1.64 1.38 2z81A1 LEU 371 HD13 0.01 0.01 -0.40 -0.04 0.93 0.50 2z81A1 LEU 371 HD23 -0.07 0.02 -0.08 -0.04 0.89 0.71 2z81A1 MET 372 H 0.08 0.09 -0.11 -0.55 8.47 7.98 2z81A1 MET 372 HA 0.10 0.12 0.48 -0.75 4.52 4.46 2z81A1 MET 372 HB2 0.09 -0.03 0.04 -0.04 2.15 2.21 2z81A1 MET 372 HB3 0.12 0.02 -0.09 -0.04 2.03 2.03 2z81A1 MET 372 HG2 0.06 -0.01 -0.03 -0.04 2.63 2.61 2z81A1 MET 372 HG3 0.08 0.05 -0.09 -0.04 2.56 2.57 2z81A1 MET 372 HE3 0.16 -0.01 -0.20 -0.04 2.10 2.00 2z81A1 VAL 373 H 0.17 0.23 0.28 -0.55 8.24 8.38 2z81A1 VAL 373 HA 0.11 0.23 0.63 -0.75 4.13 4.35 2z81A1 VAL 373 HB 0.12 -0.05 0.13 -0.04 2.12 2.28 2z81A1 VAL 373 HG13 0.06 0.12 -0.11 -0.04 0.97 1.00 2z81A1 VAL 373 HG23 0.28 -0.04 0.02 -0.04 0.95 1.17 2z81A1 GLU 374 H 0.10 0.19 0.14 -0.55 8.60 8.48 2z81A1 GLU 374 HA 0.09 0.10 0.31 -0.75 4.29 4.04 2z81A1 GLU 374 HB2 0.07 -0.01 0.16 -0.04 2.09 2.26 2z81A1 GLU 374 HB3 0.04 0.11 -0.03 -0.04 1.99 2.07 2z81A1 GLU 374 HG2 0.08 0.02 0.01 -0.04 2.34 2.41 2z81A1 GLU 374 HG3 0.11 0.08 0.03 -0.04 2.34 2.52 2z81A1 GLU 375 H 0.06 0.11 -0.10 -0.55 8.60 8.13 2z81A1 GLU 375 HA -0.06 0.10 0.36 -0.75 4.29 3.93 2z81A1 GLU 375 HB2 -0.09 -0.02 0.07 -0.04 2.09 2.01 2z81A1 GLU 375 HB3 -0.30 0.06 0.00 -0.04 1.99 1.71 2z81A1 GLU 375 HG2 -0.04 0.00 0.05 -0.04 2.34 2.32 2z81A1 GLU 375 HG3 0.00 -0.01 0.06 -0.04 2.34 2.35 2z81A1 TYR 376 H 0.24 0.20 -0.17 -0.55 8.29 8.02 2z81A1 TYR 376 HA 0.05 0.11 0.72 -0.75 4.56 4.68 2z81A1 TYR 376 HB2 0.11 0.01 0.22 -0.04 3.06 3.36 2z81A1 TYR 376 HB3 0.11 0.03 0.19 -0.04 2.98 3.27 2z81A1 TYR 376 HD2 0.12 -0.06 0.04 -0.04 7.15 7.21 2z81A1 TYR 376 HE2 0.09 -0.00 -0.01 -0.04 6.85 6.88 2z81A1 LEU 377 H 0.15 0.44 -0.02 -0.55 8.37 8.40 2z81A1 LEU 377 HA 0.14 0.01 0.39 -0.75 4.35 4.13 2z81A1 LEU 377 HB2 0.14 -0.06 -0.07 -0.04 1.64 1.60 2z81A1 LEU 377 HB3 0.10 0.08 0.02 -0.04 1.64 1.80 2z81A1 LEU 377 HG 0.11 0.08 -0.20 -0.04 1.64 1.59 2z81A1 LEU 377 HD13 0.24 -0.01 -0.07 -0.04 0.93 1.05 2z81A1 LEU 377 HD23 0.14 -0.00 -0.10 -0.04 0.89 0.88 2z81A1 LYS 378 H 0.02 0.38 -0.40 -0.55 8.42 7.86 2z81A1 LYS 378 HA -0.03 0.14 0.32 -0.75 4.32 4.00 2z81A1 LYS 378 HB2 -0.02 -0.01 0.06 -0.04 1.87 1.86 2z81A1 LYS 378 HB3 -0.05 0.13 0.06 -0.04 1.79 1.89 2z81A1 LYS 378 HG2 -0.05 -0.03 -0.12 -0.04 1.46 1.23 2z81A1 LYS 378 HG3 -0.04 0.07 0.05 -0.04 1.46 1.50 2z81A1 LYS 378 HD2 -0.04 0.00 -0.02 -0.04 1.69 1.60 2z81A1 LYS 378 HD3 -0.03 -0.03 -0.02 -0.04 1.68 1.55 2z81A1 LYS 378 HE2 -0.06 0.01 0.02 -0.04 2.99 2.92 2z81A1 LYS 378 HE3 -0.06 -0.00 -0.02 -0.04 2.99 2.87 2z81A1 ASN 379 H -0.02 0.21 -0.34 -0.55 8.53 7.83 2z81A1 ASN 379 HA -0.06 0.08 0.57 -0.75 4.76 4.59 2z81A1 ASN 379 HB2 -0.04 0.02 0.12 -0.04 2.88 2.94 2z81A1 ASN 379 HB3 0.02 0.09 0.13 -0.04 2.79 2.99 2z81A1 ASN 379 HD21 -0.01 -0.07 0.07 -0.04 7.03 6.98 2z81A1 ASN 379 HD22 -0.03 0.07 0.06 -0.04 7.74 7.80 2z81A1 SER 380 H -0.00 0.39 -0.08 -0.55 8.46 8.22 2z81A1 SER 380 HA -0.10 0.33 0.45 -0.75 4.49 4.42 2z81A1 SER 380 HB2 0.10 0.06 0.12 -0.04 3.95 4.18 2z81A1 SER 380 HB3 0.23 -0.02 0.03 -0.04 3.93 4.12 2z81A1 ALA 381 H -0.18 0.56 -0.33 -0.55 8.40 7.90 2z81A1 ALA 381 HA -0.91 0.15 0.72 -0.75 4.34 3.55 2z81A1 ALA 381 HB3 -0.10 -0.01 0.00 -0.04 1.41 1.26 2z81A1 CYS 382 H -0.33 0.18 -0.51 -0.55 8.50 7.29 2z81A1 CYS 382 HA -0.12 0.17 0.49 -0.75 4.58 4.36 2z81A1 CYS 382 HB2 -0.10 -0.14 0.13 -0.04 2.97 2.82 2z81A1 CYS 382 HB3 -0.12 0.11 0.16 -0.04 2.97 3.08 2z81A1 LYS 383 H -0.08 0.06 0.14 -0.55 8.42 7.99 2z81A1 LYS 383 HA -0.06 0.09 0.38 -0.75 4.32 3.98 2z81A1 LYS 383 HB2 -0.05 -0.02 0.16 -0.04 1.87 1.92 2z81A1 LYS 383 HB3 -0.06 -0.12 0.12 -0.04 1.79 1.69 2z81A1 LYS 383 HG2 -0.04 0.09 -0.26 -0.04 1.46 1.21 2z81A1 LYS 383 HG3 -0.03 0.03 0.01 -0.04 1.46 1.42 2z81A1 LYS 383 HD2 -0.03 -0.04 0.02 -0.04 1.69 1.60 2z81A1 LYS 383 HD3 -0.03 -0.03 -0.01 -0.04 1.68 1.57 2z81A1 LYS 383 HE2 -0.02 0.04 -0.03 -0.04 2.99 2.93 2z81A1 LYS 383 HE3 -0.02 0.01 -0.01 -0.04 2.99 2.94 2z81A1 GLY 384 H -0.09 -0.05 -0.17 -0.55 8.43 7.58 2z81A1 GLY 384 HA2 -0.06 0.29 0.85 -0.51 4.01 4.58 2z81A1 GLY 384 HA3 -0.07 -0.09 0.34 -0.51 4.01 3.67 2z81A1 ALA 385 H -0.20 0.75 -0.33 -0.55 8.40 8.07 2z81A1 ALA 385 HA -0.32 -0.02 0.13 -0.75 4.34 3.37 2z81A1 ALA 385 HB3 -0.83 -0.04 -0.01 -0.04 1.41 0.49 2z81A1 TRP 386 H -0.21 0.31 0.10 -0.55 7.97 7.62 2z81A1 TRP 386 HA -0.07 0.18 0.36 -0.75 4.62 4.34 2z81A1 TRP 386 HB2 -0.03 0.04 -0.07 -0.04 3.23 3.12 2z81A1 TRP 386 HB3 -0.05 -0.03 0.05 -0.04 3.23 3.16 2z81A1 TRP 386 HD1 -0.14 0.17 0.17 -0.04 7.22 7.38 2z81A1 TRP 386 HE1 -0.13 -0.09 0.01 -0.04 10.20 9.95 2z81A1 TRP 386 HE3 -0.02 0.05 -0.15 -0.04 7.59 7.43 2z81A1 TRP 386 HZ2 -0.02 -0.11 -0.07 -0.04 7.44 7.20 2z81A1 TRP 386 HZ3 -0.00 -0.03 -0.14 -0.04 7.13 6.91 2z81A1 TRP 386 HH2 -0.00 -0.12 -0.17 -0.04 7.19 6.85 2z81A1 PRO 387 HA 0.04 0.07 0.34 -0.51 4.44 4.37 2z81A1 PRO 387 HB2 0.02 0.06 0.08 -0.04 2.28 2.39 2z81A1 PRO 387 HB3 0.01 -0.06 0.06 -0.04 2.02 1.99 2z81A1 PRO 387 HG2 -0.01 -0.03 0.05 -0.04 2.03 2.00 2z81A1 PRO 387 HG3 -0.02 0.19 -0.00 -0.04 2.03 2.16 2z81A1 PRO 387 HD2 0.06 0.16 -0.00 -0.04 3.68 3.86 2z81A1 PRO 387 HD3 0.01 0.08 -0.14 -0.04 3.65 3.56 2z81A1 SER 388 H 0.06 0.19 -0.20 -0.55 8.46 7.97 2z81A1 SER 388 HA 0.04 0.07 0.65 -0.75 4.49 4.49 2z81A1 SER 388 HB2 0.04 0.17 -0.27 -0.04 3.95 3.84 2z81A1 SER 388 HB3 0.03 -0.11 0.06 -0.04 3.93 3.87 2z81A1 LEU 389 H 0.11 0.44 -0.38 -0.55 8.37 7.99 2z81A1 LEU 389 HA 0.02 -0.00 0.32 -0.75 4.35 3.94 2z81A1 LEU 389 HB2 0.18 0.08 0.03 -0.04 1.64 1.89 2z81A1 LEU 389 HB3 0.14 -0.05 -0.05 -0.04 1.64 1.65 2z81A1 LEU 389 HG -0.05 -0.08 -0.32 -0.04 1.64 1.15 2z81A1 LEU 389 HD13 -0.21 -0.04 -0.44 -0.04 0.93 0.20 2z81A1 LEU 389 HD23 -0.13 -0.03 -0.16 -0.04 0.89 0.53 2z81A1 GLN 390 H 0.02 0.49 0.43 -0.55 8.47 8.86 2z81A1 GLN 390 HA 0.03 0.33 0.96 -0.75 4.36 4.93 2z81A1 GLN 390 HB2 0.03 -0.00 0.21 -0.04 2.15 2.34 2z81A1 GLN 390 HB3 0.02 -0.12 0.16 -0.04 2.02 2.04 2z81A1 GLN 390 HG2 0.02 0.11 0.01 -0.04 2.40 2.50 2z81A1 GLN 390 HG3 0.03 0.22 0.10 -0.04 2.39 2.70 2z81A1 GLN 390 HE21 0.01 -0.09 0.04 -0.04 6.97 6.89 2z81A1 GLN 390 HE22 0.02 0.14 0.06 -0.04 7.69 7.86 2z81A1 THR 391 H -0.01 0.53 0.41 -0.55 8.28 8.66 2z81A1 THR 391 HA -0.03 0.28 1.16 -0.75 4.39 5.05 2z81A1 THR 391 HB 0.15 -0.04 0.24 -0.04 4.32 4.64 2z81A1 THR 391 HG23 -0.02 -0.03 -0.17 -0.04 1.22 0.96 2z81A1 LEU 392 H -0.06 0.61 0.32 -0.55 8.37 8.70 2z81A1 LEU 392 HA -0.32 0.27 1.07 -0.75 4.35 4.61 2z81A1 LEU 392 HB2 -0.08 0.09 -0.11 -0.04 1.64 1.50 2z81A1 LEU 392 HB3 0.01 0.01 0.15 -0.04 1.64 1.76 2z81A1 LEU 392 HG -0.02 -0.13 -0.31 -0.04 1.64 1.15 2z81A1 LEU 392 HD13 -0.33 0.02 -0.05 -0.04 0.93 0.54 2z81A1 LEU 392 HD23 0.18 0.01 -0.10 -0.04 0.89 0.94 2z81A1 VAL 393 H -0.32 0.77 0.41 -0.55 8.24 8.56 2z81A1 VAL 393 HA -0.03 0.13 1.12 -0.75 4.13 4.59 2z81A1 VAL 393 HB -0.19 -0.11 0.33 -0.04 2.12 2.11 2z81A1 VAL 393 HG13 0.00 -0.04 0.00 -0.04 0.97 0.89 2z81A1 VAL 393 HG23 -0.12 0.03 -0.12 -0.04 0.95 0.70 2z81A1 LEU 394 H 0.03 0.90 0.29 -0.55 8.37 9.04 2z81A1 LEU 394 HA 0.00 0.09 0.63 -0.75 4.35 4.33 2z81A1 LEU 394 HB2 0.10 0.10 0.06 -0.04 1.64 1.86 2z81A1 LEU 394 HB3 0.08 -0.05 0.12 -0.04 1.64 1.74 2z81A1 LEU 394 HG 0.02 -0.03 -0.39 -0.04 1.64 1.20 2z81A1 LEU 394 HD13 0.14 0.01 -0.11 -0.04 0.93 0.92 2z81A1 LEU 394 HD23 0.05 0.00 -0.09 -0.04 0.89 0.81 2z81A1 SER 395 H 0.02 -0.04 -0.19 -0.55 8.46 7.70 2z81A1 SER 395 HA 0.04 0.10 0.14 -0.75 4.49 4.02 2z81A1 SER 395 HB2 0.03 -0.05 0.06 -0.04 3.95 3.95 2z81A1 SER 395 HB3 0.01 -0.24 0.14 -0.04 3.93 3.81 2z81A1 GLN 396 H 0.00 -0.19 0.07 -0.55 8.47 7.82 2z81A1 GLN 396 HA -0.04 0.56 0.74 -0.75 4.36 4.87 2z81A1 GLN 396 HB2 -0.01 -0.01 0.15 -0.04 2.15 2.23 2z81A1 GLN 396 HB3 -0.00 -0.26 0.36 -0.04 2.02 2.07 2z81A1 GLN 396 HG2 -0.02 -0.06 0.16 -0.04 2.40 2.43 2z81A1 GLN 396 HG3 -0.06 0.25 0.12 -0.04 2.39 2.67 2z81A1 GLN 396 HE21 -0.01 -0.01 0.04 -0.04 6.97 6.95 2z81A1 GLN 396 HE22 -0.01 -0.03 0.08 -0.04 7.69 7.69 2z81A1 ASN 397 H -0.04 0.50 0.11 -0.55 8.53 8.56 2z81A1 ASN 397 HA 0.09 0.35 0.92 -0.75 4.76 5.37 2z81A1 ASN 397 HB2 0.03 0.18 0.06 -0.04 2.88 3.12 2z81A1 ASN 397 HB3 0.09 -0.13 0.22 -0.04 2.79 2.94 2z81A1 ASN 397 HD21 0.02 0.38 -0.21 -0.04 7.03 7.18 2z81A1 ASN 397 HD22 0.03 0.22 -0.70 -0.04 7.74 7.25 2z81A1 HIS 398 H 0.16 0.42 0.13 -0.55 8.41 8.58 2z81A1 HIS 398 HA -0.09 0.27 1.05 -0.75 4.63 5.11 2z81A1 HIS 398 HB2 -0.01 0.05 -0.13 -0.04 3.26 3.14 2z81A1 HIS 398 HB3 -0.03 -0.08 0.19 -0.04 3.20 3.23 2z81A1 HIS 398 HD2 -0.03 -0.04 0.01 -0.04 6.97 6.86 2z81A1 HIS 398 HE1 -0.03 0.03 -0.06 -0.04 7.75 7.65 2z81A1 LEU 399 H -0.09 0.13 -0.11 -0.55 8.37 7.76 2z81A1 LEU 399 HA 0.03 -0.15 0.55 -0.75 4.35 4.02 2z81A1 LEU 399 HB2 -0.28 0.13 -0.02 -0.04 1.64 1.43 2z81A1 LEU 399 HB3 0.16 -0.09 -0.03 -0.04 1.64 1.64 2z81A1 LEU 399 HG 0.05 0.02 -0.00 -0.04 1.64 1.67 2z81A1 LEU 399 HD13 0.21 0.03 -0.04 -0.04 0.93 1.09 2z81A1 LEU 399 HD23 0.12 -0.04 -0.16 -0.04 0.89 0.77 2z81A1 ARG 400 H 0.07 -0.14 0.25 -0.55 8.46 8.08 2z81A1 ARG 400 HA -0.21 0.53 0.96 -0.75 4.34 4.87 2z81A1 ARG 400 HB2 0.11 -0.12 0.11 -0.04 1.90 1.96 2z81A1 ARG 400 HB3 0.07 -0.00 0.12 -0.04 1.80 1.94 2z81A1 ARG 400 HG2 -0.02 0.11 -0.23 -0.04 1.67 1.49 2z81A1 ARG 400 HG3 0.05 -0.06 0.02 -0.04 1.67 1.64 2z81A1 ARG 400 HD2 -0.19 -0.08 0.06 -0.04 3.22 2.97 2z81A1 ARG 400 HD3 -0.22 0.38 0.08 -0.04 3.22 3.42 2z81A1 SER 401 H 0.26 -0.02 0.16 -0.55 8.46 8.32 2z81A1 SER 401 HA 0.30 0.31 1.12 -0.75 4.49 5.46 2z81A1 SER 401 HB2 0.16 0.15 -0.01 -0.04 3.95 4.22 2z81A1 SER 401 HB3 0.12 -0.05 0.18 -0.04 3.93 4.15 2z81A1 MET 402 H 0.01 0.33 0.10 -0.55 8.47 8.37 2z81A1 MET 402 HA -0.18 0.11 0.42 -0.75 4.52 4.11 2z81A1 MET 402 HB2 -0.10 -0.00 0.11 -0.04 2.15 2.12 2z81A1 MET 402 HB3 0.10 0.07 -0.05 -0.04 2.03 2.11 2z81A1 MET 402 HG2 -0.90 0.03 -0.02 -0.04 2.63 1.70 2z81A1 MET 402 HG3 -1.29 0.03 -0.02 -0.04 2.56 1.24 2z81A1 MET 402 HE3 -0.06 0.02 0.01 -0.04 2.10 2.02 2z81A1 GLN 403 H -0.05 0.11 -0.05 -0.55 8.47 7.93 2z81A1 GLN 403 HA -0.32 0.15 0.45 -0.75 4.36 3.89 2z81A1 GLN 403 HB2 -0.07 0.05 0.14 -0.04 2.15 2.24 2z81A1 GLN 403 HB3 -0.06 -0.07 0.11 -0.04 2.02 1.97 2z81A1 GLN 403 HG2 -0.11 -0.02 -0.13 -0.04 2.40 2.10 2z81A1 GLN 403 HG3 -0.15 0.04 0.14 -0.04 2.39 2.38 2z81A1 GLN 403 HE21 -0.04 -0.09 0.06 -0.04 6.97 6.87 2z81A1 GLN 403 HE22 -0.06 0.27 0.15 -0.04 7.69 8.01 2z81A1 LYS 404 H -0.03 0.03 -0.22 -0.55 8.42 7.64 2z81A1 LYS 404 HA -0.08 0.12 0.41 -0.75 4.32 4.02 2z81A1 LYS 404 HB2 0.00 -0.00 0.09 -0.04 1.87 1.92 2z81A1 LYS 404 HB3 0.04 -0.01 0.09 -0.04 1.79 1.86 2z81A1 LYS 404 HG2 -0.00 0.02 -0.10 -0.04 1.46 1.34 2z81A1 LYS 404 HG3 -0.02 0.05 0.04 -0.04 1.46 1.49 2z81A1 LYS 404 HD2 0.02 0.03 0.01 -0.04 1.69 1.71 2z81A1 LYS 404 HD3 0.04 -0.11 0.01 -0.04 1.68 1.58 2z81A1 LYS 404 HE2 0.00 0.03 -0.11 -0.04 2.99 2.86 2z81A1 LYS 404 HE3 -0.01 0.07 -0.03 -0.04 2.99 2.98 2z81A1 THR 405 H -0.02 0.40 -0.22 -0.55 8.28 7.89 2z81A1 THR 405 HA 0.04 -0.01 0.40 -0.75 4.39 4.06 2z81A1 THR 405 HB 0.07 0.10 0.16 -0.04 4.32 4.60 2z81A1 THR 405 HG23 0.22 0.01 -0.14 -0.04 1.22 1.26 2z81A1 GLY 406 H -0.55 0.57 -0.07 -0.55 8.43 7.84 2z81A1 GLY 406 HA2 -0.36 -0.01 0.38 -0.51 4.01 3.51 2z81A1 GLY 406 HA3 -1.53 0.16 0.38 -0.51 4.01 2.51 2z81A1 GLU 407 H -0.32 0.36 -0.19 -0.55 8.60 7.91 2z81A1 GLU 407 HA -0.16 0.03 0.36 -0.75 4.29 3.77 2z81A1 GLU 407 HB2 -0.17 0.01 0.15 -0.04 2.09 2.04 2z81A1 GLU 407 HB3 -0.12 0.06 0.17 -0.04 1.99 2.05 2z81A1 GLU 407 HG2 -0.07 0.02 -0.19 -0.04 2.34 2.06 2z81A1 GLU 407 HG3 -0.08 -0.01 0.02 -0.04 2.34 2.22 2z81A1 ILE 408 H -0.08 0.47 -0.17 -0.55 8.25 7.92 2z81A1 ILE 408 HA -0.04 0.01 0.43 -0.75 4.18 3.83 2z81A1 ILE 408 HB 0.01 0.09 0.13 -0.04 1.89 2.08 2z81A1 ILE 408 HG12 -0.02 -0.04 0.01 -0.04 1.49 1.40 2z81A1 ILE 408 HG13 -0.03 0.14 0.08 -0.04 1.21 1.36 2z81A1 ILE 408 HG23 0.01 -0.03 -0.27 -0.04 0.93 0.61 2z81A1 ILE 408 HD13 0.02 -0.05 -0.09 -0.04 0.88 0.71 2z81A1 LEU 409 H -0.00 0.43 -0.28 -0.55 8.37 7.97 2z81A1 LEU 409 HA 0.06 0.11 0.48 -0.75 4.35 4.25 2z81A1 LEU 409 HB2 0.13 0.10 0.08 -0.04 1.64 1.91 2z81A1 LEU 409 HB3 0.15 -0.03 0.12 -0.04 1.64 1.84 2z81A1 LEU 409 HG 0.11 0.17 0.02 -0.04 1.64 1.89 2z81A1 LEU 409 HD13 0.22 -0.04 -0.09 -0.04 0.93 0.98 2z81A1 LEU 409 HD23 0.19 -0.01 -0.11 -0.04 0.89 0.92 2z81A1 LEU 410 H -0.01 0.37 -0.59 -0.55 8.37 7.59 2z81A1 LEU 410 HA 0.04 0.01 0.23 -0.75 4.35 3.88 2z81A1 LEU 410 HB2 -0.02 0.08 -0.00 -0.04 1.64 1.66 2z81A1 LEU 410 HB3 -0.00 -0.08 -0.00 -0.04 1.64 1.52 2z81A1 LEU 410 HG -0.06 0.19 0.02 -0.04 1.64 1.74 2z81A1 LEU 410 HD13 -0.05 -0.04 -0.02 -0.04 0.93 0.78 2z81A1 LEU 410 HD23 0.01 -0.06 -0.38 -0.04 0.89 0.42 2z81A1 THR 411 H -0.00 0.24 -0.57 -0.55 8.28 7.40 2z81A1 THR 411 HA -0.01 -0.01 0.43 -0.75 4.39 4.05 2z81A1 THR 411 HB -0.06 0.14 -0.13 -0.04 4.32 4.22 2z81A1 THR 411 HG23 -0.05 -0.05 -0.02 -0.04 1.22 1.05 2z81A1 LEU 412 H 0.05 0.53 -0.34 -0.55 8.37 8.08 2z81A1 LEU 412 HA 0.07 0.22 0.65 -0.75 4.35 4.53 2z81A1 LEU 412 HB2 0.12 -0.00 0.20 -0.04 1.64 1.92 2z81A1 LEU 412 HB3 0.14 0.01 0.04 -0.04 1.64 1.79 2z81A1 LEU 412 HG 0.11 -0.02 -0.02 -0.04 1.64 1.67 2z81A1 LEU 412 HD13 0.35 -0.04 -0.07 -0.04 0.93 1.12 2z81A1 LEU 412 HD23 0.13 0.04 -0.27 -0.04 0.89 0.75 2z81A1 LYS 413 H 0.04 0.37 0.09 -0.55 8.42 8.37 2z81A1 LYS 413 HA 0.04 0.02 0.38 -0.75 4.32 4.01 2z81A1 LYS 413 HB2 0.03 0.05 0.08 -0.04 1.87 1.99 2z81A1 LYS 413 HB3 0.03 -0.08 0.10 -0.04 1.79 1.79 2z81A1 LYS 413 HG2 0.02 0.23 0.10 -0.04 1.46 1.77 2z81A1 LYS 413 HG3 0.01 -0.08 0.07 -0.04 1.46 1.42 2z81A1 LYS 413 HD2 0.02 -0.13 0.04 -0.04 1.69 1.59 2z81A1 LYS 413 HD3 0.02 0.12 -0.12 -0.04 1.68 1.66 2z81A1 LYS 413 HE2 0.00 0.12 0.07 -0.04 2.99 3.14 2z81A1 LYS 413 HE3 0.00 -0.12 0.04 -0.04 2.99 2.87 2z81A1 ASN 414 H 0.05 0.20 -0.19 -0.55 8.53 8.05 2z81A1 ASN 414 HA 0.04 0.12 0.85 -0.75 4.76 5.02 2z81A1 ASN 414 HB2 0.05 0.21 -0.09 -0.04 2.88 3.01 2z81A1 ASN 414 HB3 0.03 -0.07 0.08 -0.04 2.79 2.80 2z81A1 ASN 414 HD21 0.03 -0.13 0.01 -0.04 7.03 6.89 2z81A1 ASN 414 HD22 0.04 0.49 0.22 -0.04 7.74 8.44 2z81A1 LEU 415 H 0.07 0.22 -0.32 -0.55 8.37 7.80 2z81A1 LEU 415 HA 0.05 0.08 0.45 -0.75 4.35 4.18 2z81A1 LEU 415 HB2 0.10 0.06 0.03 -0.04 1.64 1.79 2z81A1 LEU 415 HB3 0.10 -0.05 0.02 -0.04 1.64 1.66 2z81A1 LEU 415 HG 0.07 -0.07 -0.22 -0.04 1.64 1.38 2z81A1 LEU 415 HD13 0.05 -0.03 -0.38 -0.04 0.93 0.53 2z81A1 LEU 415 HD23 0.13 -0.03 -0.10 -0.04 0.89 0.85 2z81A1 THR 416 H 0.04 0.59 0.49 -0.55 8.28 8.85 2z81A1 THR 416 HA 0.05 0.26 0.75 -0.75 4.39 4.69 2z81A1 THR 416 HB 0.03 -0.10 0.16 -0.04 4.32 4.37 2z81A1 THR 416 HG23 0.03 0.10 -0.07 -0.04 1.22 1.23 2z81A1 SER 417 H 0.03 0.56 0.42 -0.55 8.46 8.92 2z81A1 SER 417 HA 0.17 0.18 1.11 -0.75 4.49 5.20 2z81A1 SER 417 HB2 -0.08 -0.04 0.17 -0.04 3.95 3.96 2z81A1 SER 417 HB3 -0.24 -0.07 -0.00 -0.04 3.93 3.58 2z81A1 LEU 418 H 0.24 0.65 0.30 -0.55 8.37 9.01 2z81A1 LEU 418 HA 0.08 0.28 1.07 -0.75 4.35 5.02 2z81A1 LEU 418 HB2 0.11 0.08 -0.09 -0.04 1.64 1.69 2z81A1 LEU 418 HB3 0.03 0.01 0.13 -0.04 1.64 1.77 2z81A1 LEU 418 HG 0.11 -0.12 -0.38 -0.04 1.64 1.21 2z81A1 LEU 418 HD13 0.13 0.05 -0.03 -0.04 0.93 1.04 2z81A1 LEU 418 HD23 0.27 0.00 -0.10 -0.04 0.89 1.02 2z81A1 ASP 419 H 0.07 0.66 0.37 -0.55 8.40 8.96 2z81A1 ASP 419 HA 0.12 0.06 1.08 -0.75 4.63 5.14 2z81A1 ASP 419 HB2 0.19 0.07 0.01 -0.04 2.71 2.95 2z81A1 ASP 419 HB3 0.06 -0.09 0.33 -0.04 2.70 2.96 2z81A1 ILE 420 H 0.08 0.57 0.21 -0.55 8.25 8.56 2z81A1 ILE 420 HA 0.14 0.16 0.73 -0.75 4.18 4.45 2z81A1 ILE 420 HB 0.48 -0.00 0.14 -0.04 1.89 2.47 2z81A1 ILE 420 HG12 0.08 -0.03 -0.06 -0.04 1.49 1.43 2z81A1 ILE 420 HG13 0.14 0.08 -0.04 -0.04 1.21 1.35 2z81A1 ILE 420 HG23 0.23 -0.02 -0.18 -0.04 0.93 0.93 2z81A1 ILE 420 HD13 0.06 -0.02 -0.08 -0.04 0.88 0.80 2z81A1 SER 421 H 0.07 -0.13 -0.12 -0.55 8.46 7.73 2z81A1 SER 421 HA 0.07 0.15 0.27 -0.75 4.49 4.23 2z81A1 SER 421 HB2 -0.00 0.15 -0.00 -0.04 3.95 4.06 2z81A1 SER 421 HB3 0.01 -0.21 -0.02 -0.04 3.93 3.68 2z81A1 ARG 422 H 0.01 0.57 0.15 -0.55 8.46 8.63 2z81A1 ARG 422 HA -0.03 0.28 0.45 -0.75 4.34 4.28 2z81A1 ARG 422 HB2 -0.01 0.02 -0.40 -0.04 1.90 1.46 2z81A1 ARG 422 HB3 -0.04 -0.05 0.18 -0.04 1.80 1.85 2z81A1 ARG 422 HG2 -0.02 0.07 0.02 -0.04 1.67 1.70 2z81A1 ARG 422 HG3 -0.01 -0.09 -0.22 -0.04 1.67 1.31 2z81A1 ARG 422 HD2 -0.02 0.02 -0.01 -0.04 3.22 3.18 2z81A1 ARG 422 HD3 -0.01 -0.01 -0.05 -0.04 3.22 3.11 2z81A1 ASN 423 H -0.03 0.17 -0.15 -0.55 8.53 7.97 2z81A1 ASN 423 HA -0.24 0.18 0.88 -0.75 4.76 4.82 2z81A1 ASN 423 HB2 -0.40 0.08 0.04 -0.04 2.88 2.56 2z81A1 ASN 423 HB3 -0.84 0.04 -0.08 -0.04 2.79 1.86 2z81A1 ASN 423 HD21 0.02 0.30 0.12 -0.04 7.03 7.43 2z81A1 ASN 423 HD22 0.06 0.18 -0.25 -0.04 7.74 7.70 2z81A1 THR 424 H -0.31 0.18 0.09 -0.55 8.28 7.69 2z81A1 THR 424 HA -0.14 0.15 0.64 -0.75 4.39 4.28 2z81A1 THR 424 HB -0.15 0.00 0.03 -0.04 4.32 4.17 2z81A1 THR 424 HG23 -0.13 -0.00 -0.04 -0.04 1.22 1.01 2z81A1 PHE 425 H 0.04 0.43 0.23 -0.55 8.34 8.48 2z81A1 PHE 425 HA -0.09 0.10 0.72 -0.75 4.62 4.59 2z81A1 PHE 425 HB2 0.01 0.04 0.08 -0.04 3.15 3.24 2z81A1 PHE 425 HB3 0.03 0.06 -0.03 -0.04 3.06 3.08 2z81A1 PHE 425 HD2 0.03 0.00 -0.39 -0.04 7.28 6.88 2z81A1 PHE 425 HE2 0.06 0.09 -0.24 -0.04 7.38 7.24 2z81A1 PHE 425 HZ 0.09 -0.02 -0.11 -0.04 7.32 7.24 2z81A1 HIS 426 H 0.17 0.49 0.36 -0.55 8.41 8.89 2z81A1 HIS 426 HA 0.07 0.09 0.57 -0.75 4.63 4.61 2z81A1 HIS 426 HB2 0.09 -0.07 0.17 -0.04 3.26 3.41 2z81A1 HIS 426 HB3 0.05 0.01 0.17 -0.04 3.20 3.39 2z81A1 HIS 426 HD2 0.06 -0.08 0.01 -0.04 6.97 6.93 2z81A1 HIS 426 HE1 0.02 -0.02 0.02 -0.04 7.75 7.72 2z81A1 PRO 427 HA 0.08 -0.02 0.48 -0.51 4.44 4.47 2z81A1 PRO 427 HB2 0.05 -0.00 0.06 -0.04 2.28 2.35 2z81A1 PRO 427 HB3 0.04 0.01 0.12 -0.04 2.02 2.15 2z81A1 PRO 427 HG2 0.06 0.03 0.11 -0.04 2.03 2.18 2z81A1 PRO 427 HG3 0.07 0.04 0.13 -0.04 2.03 2.22 2z81A1 PRO 427 HD2 0.12 0.06 0.22 -0.04 3.68 4.04 2z81A1 PRO 427 HD3 0.16 0.16 0.25 -0.04 3.65 4.18 2z81A1 MET 428 H 0.04 0.08 0.22 -0.55 8.47 8.26 2z81A1 MET 428 HA 0.03 0.03 0.59 -0.75 4.52 4.41 2z81A1 MET 428 HB2 0.04 0.03 0.08 -0.04 2.15 2.26 2z81A1 MET 428 HB3 0.01 0.00 0.13 -0.04 2.03 2.14 2z81A1 MET 428 HG2 0.02 0.02 0.14 -0.04 2.63 2.76 2z81A1 MET 428 HG3 0.02 0.09 -0.20 -0.04 2.56 2.43 2z81A1 MET 428 HE3 0.00 0.02 0.12 -0.04 2.10 2.20 2z81A1 PRO 429 HA 0.01 0.16 0.57 -0.51 4.44 4.68 2z81A1 PRO 429 HB2 -0.00 -0.09 0.16 -0.04 2.28 2.30 2z81A1 PRO 429 HB3 -0.00 0.06 0.09 -0.04 2.02 2.14 2z81A1 PRO 429 HG2 0.00 0.11 -0.18 -0.04 2.03 1.92 2z81A1 PRO 429 HG3 -0.02 0.04 0.08 -0.04 2.03 2.09 2z81A1 PRO 429 HD2 0.02 0.04 0.16 -0.04 3.68 3.86 2z81A1 PRO 429 HD3 0.01 0.13 0.21 -0.04 3.65 3.96 2z81A1 ASP 430 H 0.00 0.15 0.12 -0.55 8.40 8.12 2z81A1 ASP 430 HA 0.01 -0.01 0.52 -0.75 4.63 4.39 2z81A1 ASP 430 HB2 0.00 0.01 0.07 -0.04 2.71 2.75 2z81A1 ASP 430 HB3 0.00 0.05 0.03 -0.04 2.70 2.75 2z81A1 SER 431 H 0.00 0.04 -0.11 -0.55 8.46 7.85 2z81A1 SER 431 HA 0.03 0.32 0.87 -0.75 4.49 4.95 2z81A1 SER 431 HB2 -0.01 -0.06 0.04 -0.04 3.95 3.87 2z81A1 SER 431 HB3 -0.00 0.08 -0.05 -0.04 3.93 3.91 2z81A1 CYS 432 H 0.05 0.42 0.13 -0.55 8.50 8.55 2z81A1 CYS 432 HA -0.14 0.06 0.75 -0.75 4.58 4.51 2z81A1 CYS 432 HB2 0.24 0.28 -0.01 -0.04 2.97 3.44 2z81A1 CYS 432 HB3 -0.47 0.07 -0.09 -0.04 2.97 2.44 2z81A1 GLN 433 H -0.34 0.14 0.12 -0.55 8.47 7.85 2z81A1 GLN 433 HA -0.04 0.17 0.81 -0.75 4.36 4.55 2z81A1 GLN 433 HB2 -0.18 -0.04 0.04 -0.04 2.15 1.93 2z81A1 GLN 433 HB3 -0.07 0.10 -0.02 -0.04 2.02 1.98 2z81A1 GLN 433 HG2 -0.09 -0.12 -0.18 -0.04 2.40 1.97 2z81A1 GLN 433 HG3 -0.07 -0.00 -0.04 -0.04 2.39 2.23 2z81A1 GLN 433 HE21 -0.01 0.01 -0.05 -0.04 6.97 6.89 2z81A1 GLN 433 HE22 -0.03 -0.06 -0.09 -0.04 7.69 7.47 2z81A1 TRP 434 H 0.17 0.25 0.11 -0.55 7.97 7.95 2z81A1 TRP 434 HA 0.01 0.20 0.72 -0.75 4.62 4.80 2z81A1 TRP 434 HB2 0.01 0.02 -0.07 -0.04 3.23 3.14 2z81A1 TRP 434 HB3 0.01 0.07 0.04 -0.04 3.23 3.31 2z81A1 TRP 434 HD1 -0.01 0.06 -0.24 -0.04 7.22 6.99 2z81A1 TRP 434 HE1 -0.03 0.21 -0.19 -0.04 10.20 10.15 2z81A1 TRP 434 HE3 0.01 0.10 0.02 -0.04 7.59 7.68 2z81A1 TRP 434 HZ2 -0.10 -0.11 -0.18 -0.04 7.44 7.01 2z81A1 TRP 434 HZ3 -0.00 -0.04 -0.09 -0.04 7.13 6.96 2z81A1 TRP 434 HH2 -0.13 -0.10 -0.04 -0.04 7.19 6.87 2z81A1 PRO 435 HA 0.10 0.06 0.42 -0.51 4.44 4.51 2z81A1 PRO 435 HB2 0.14 -0.05 0.03 -0.04 2.28 2.36 2z81A1 PRO 435 HB3 0.11 0.28 0.10 -0.04 2.02 2.47 2z81A1 PRO 435 HG2 0.19 -0.03 -0.00 -0.04 2.03 2.14 2z81A1 PRO 435 HG3 0.14 0.23 -0.14 -0.04 2.03 2.21 2z81A1 PRO 435 HD2 0.44 0.02 0.12 -0.04 3.68 4.22 2z81A1 PRO 435 HD3 0.30 0.17 0.08 -0.04 3.65 4.16 2z81A1 GLU 436 H 0.07 0.15 0.22 -0.55 8.60 8.49 2z81A1 GLU 436 HA 0.08 0.06 0.38 -0.75 4.29 4.06 2z81A1 GLU 436 HB2 0.05 -0.01 0.20 -0.04 2.09 2.28 2z81A1 GLU 436 HB3 0.04 0.06 0.11 -0.04 1.99 2.16 2z81A1 GLU 436 HG2 0.04 0.02 -0.03 -0.04 2.34 2.33 2z81A1 GLU 436 HG3 0.04 -0.03 0.11 -0.04 2.34 2.42 2z81A1 LYS 437 H 0.06 0.16 -0.21 -0.55 8.42 7.88 2z81A1 LYS 437 HA 0.04 0.12 0.66 -0.75 4.32 4.38 2z81A1 LYS 437 HB2 0.04 0.24 -0.13 -0.04 1.87 1.99 2z81A1 LYS 437 HB3 0.03 -0.07 0.09 -0.04 1.79 1.80 2z81A1 LYS 437 HG2 0.03 -0.06 -0.04 -0.04 1.46 1.35 2z81A1 LYS 437 HG3 0.04 -0.04 0.01 -0.04 1.46 1.43 2z81A1 LYS 437 HD2 0.03 0.10 0.04 -0.04 1.69 1.83 2z81A1 LYS 437 HD3 0.03 -0.06 0.00 -0.04 1.68 1.61 2z81A1 LYS 437 HE2 0.03 0.10 0.05 -0.04 2.99 3.13 2z81A1 LYS 437 HE3 0.02 -0.04 0.01 -0.04 2.99 2.95 2z81A1 MET 438 H 0.07 0.32 -0.45 -0.55 8.47 7.86 2z81A1 MET 438 HA 0.05 -0.02 0.33 -0.75 4.52 4.12 2z81A1 MET 438 HB2 0.09 0.04 -0.03 -0.04 2.15 2.20 2z81A1 MET 438 HB3 0.01 -0.01 0.00 -0.04 2.03 1.99 2z81A1 MET 438 HG2 -0.07 -0.06 -0.33 -0.04 2.63 2.12 2z81A1 MET 438 HG3 0.03 -0.05 -0.23 -0.04 2.56 2.27 2z81A1 MET 438 HE3 -0.82 -0.01 -0.12 -0.04 2.10 1.11 2z81A1 ARG 439 H 0.06 0.64 0.49 -0.55 8.46 9.09 2z81A1 ARG 439 HA 0.00 0.24 0.86 -0.75 4.34 4.69 2z81A1 ARG 439 HB2 0.04 -0.17 0.21 -0.04 1.90 1.93 2z81A1 ARG 439 HB3 0.03 0.15 0.06 -0.04 1.80 2.00 2z81A1 ARG 439 HG2 0.04 0.16 0.21 -0.04 1.67 2.04 2z81A1 ARG 439 HG3 0.09 0.03 0.11 -0.04 1.67 1.86 2z81A1 ARG 439 HD2 0.03 0.02 0.04 -0.04 3.22 3.27 2z81A1 ARG 439 HD3 0.03 -0.01 0.02 -0.04 3.22 3.22 2z81A1 PHE 440 H 0.13 0.39 0.33 -0.55 8.34 8.64 2z81A1 PHE 440 HA -0.05 0.21 1.07 -0.75 4.62 5.09 2z81A1 PHE 440 HB2 -0.02 0.05 -0.00 -0.04 3.15 3.14 2z81A1 PHE 440 HB3 -0.02 -0.02 0.30 -0.04 3.06 3.28 2z81A1 PHE 440 HD2 -0.02 -0.04 -0.16 -0.04 7.28 7.02 2z81A1 PHE 440 HE2 -0.01 -0.04 -0.14 -0.04 7.38 7.15 2z81A1 PHE 440 HZ 0.00 -0.04 -0.10 -0.04 7.32 7.14 2z81A1 LEU 441 H -0.50 0.59 0.28 -0.55 8.37 8.20 2z81A1 LEU 441 HA -0.14 0.32 1.01 -0.75 4.35 4.79 2z81A1 LEU 441 HB2 -0.34 0.08 -0.15 -0.04 1.64 1.20 2z81A1 LEU 441 HB3 -0.30 -0.02 0.12 -0.04 1.64 1.40 2z81A1 LEU 441 HG -0.27 -0.10 -0.35 -0.04 1.64 0.88 2z81A1 LEU 441 HD13 -0.34 0.03 -0.01 -0.04 0.93 0.56 2z81A1 LEU 441 HD23 -0.62 0.00 -0.09 -0.04 0.89 0.14 2z81A1 ASN 442 H -0.08 0.58 0.39 -0.55 8.53 8.87 2z81A1 ASN 442 HA -0.24 0.09 1.07 -0.75 4.76 4.93 2z81A1 ASN 442 HB2 0.03 0.08 0.09 -0.04 2.88 3.05 2z81A1 ASN 442 HB3 0.05 -0.19 0.34 -0.04 2.79 2.96 2z81A1 ASN 442 HD21 0.05 0.03 -0.00 -0.04 7.03 7.06 2z81A1 ASN 442 HD22 0.17 0.04 0.00 -0.04 7.74 7.91 2z81A1 LEU 443 H -0.12 0.80 0.35 -0.55 8.37 8.84 2z81A1 LEU 443 HA 0.02 0.18 0.71 -0.75 4.35 4.50 2z81A1 LEU 443 HB2 -0.06 0.06 0.12 -0.04 1.64 1.72 2z81A1 LEU 443 HB3 -0.02 -0.04 0.16 -0.04 1.64 1.69 2z81A1 LEU 443 HG -0.15 -0.02 -0.31 -0.04 1.64 1.12 2z81A1 LEU 443 HD13 -0.10 -0.00 -0.06 -0.04 0.93 0.73 2z81A1 LEU 443 HD23 -0.12 0.03 -0.15 -0.04 0.89 0.61 2z81A1 SER 444 H -0.07 -0.05 -0.10 -0.55 8.46 7.69 2z81A1 SER 444 HA -0.12 0.23 0.33 -0.75 4.49 4.18 2z81A1 SER 444 HB2 -0.20 -0.11 0.02 -0.04 3.95 3.62 2z81A1 SER 444 HB3 -0.08 -0.08 0.03 -0.04 3.93 3.76 2z81A1 SER 445 H -0.08 0.61 0.22 -0.55 8.46 8.67 2z81A1 SER 445 HA -0.03 0.37 0.56 -0.75 4.49 4.63 2z81A1 SER 445 HB2 -0.03 -0.07 0.09 -0.04 3.95 3.90 2z81A1 SER 445 HB3 -0.03 0.02 0.22 -0.04 3.93 4.10 2z81A1 THR 446 H 0.02 0.10 0.03 -0.55 8.28 7.88 2z81A1 THR 446 HA 0.04 0.45 1.03 -0.75 4.39 5.16 2z81A1 THR 446 HB 0.41 -0.06 0.22 -0.04 4.32 4.85 2z81A1 THR 446 HG23 0.21 0.00 -0.19 -0.04 1.22 1.20 2z81A1 GLY 447 H 0.01 0.08 0.08 -0.55 8.43 8.05 2z81A1 GLY 447 HA2 0.01 0.02 0.29 -0.51 4.01 3.82 2z81A1 GLY 447 HA3 0.01 0.13 0.41 -0.51 4.01 4.04 2z81A1 ILE 448 H 0.04 -0.01 -0.20 -0.55 8.25 7.53 2z81A1 ILE 448 HA 0.05 0.17 0.51 -0.75 4.18 4.15 2z81A1 ILE 448 HB 0.03 0.02 0.05 -0.04 1.89 1.96 2z81A1 ILE 448 HG12 0.03 -0.05 0.06 -0.04 1.49 1.49 2z81A1 ILE 448 HG13 0.03 -0.08 -0.11 -0.04 1.21 1.01 2z81A1 ILE 448 HG23 0.07 0.03 -0.04 -0.04 0.93 0.94 2z81A1 ILE 448 HD13 0.02 0.02 -0.04 -0.04 0.88 0.84 2z81A1 ARG 449 H 0.03 0.10 0.23 -0.55 8.46 8.27 2z81A1 ARG 449 HA 0.02 0.25 0.67 -0.75 4.34 4.53 2z81A1 ARG 449 HB2 0.02 -0.04 0.14 -0.04 1.90 1.98 2z81A1 ARG 449 HB3 0.02 -0.01 0.08 -0.04 1.80 1.84 2z81A1 ARG 449 HG2 0.01 0.09 0.07 -0.04 1.67 1.80 2z81A1 ARG 449 HG3 0.02 0.07 -0.10 -0.04 1.67 1.62 2z81A1 ARG 449 HD2 0.02 0.01 0.04 -0.04 3.22 3.26 2z81A1 ARG 449 HD3 0.02 -0.04 0.04 -0.04 3.22 3.19 2z81A1 VAL 450 H 0.02 0.11 0.15 -0.55 8.24 7.97 2z81A1 VAL 450 HA 0.01 0.16 0.78 -0.75 4.13 4.33 2z81A1 VAL 450 HB 0.00 -0.03 -0.03 -0.04 2.12 2.03 2z81A1 VAL 450 HG13 -0.03 0.02 -0.09 -0.04 0.97 0.83 2z81A1 VAL 450 HG23 0.00 -0.00 -0.20 -0.04 0.95 0.71 2z81A1 VAL 451 H -0.05 0.21 0.16 -0.55 8.24 8.01 2z81A1 VAL 451 HA -0.02 0.15 0.92 -0.75 4.13 4.43 2z81A1 VAL 451 HB -0.12 0.09 0.02 -0.04 2.12 2.08 2z81A1 VAL 451 HG13 0.14 0.01 -0.07 -0.04 0.97 1.00 2z81A1 VAL 451 HG23 -0.47 0.00 0.12 -0.04 0.95 0.56 2z81A1 LYS 452 H -0.02 0.16 0.14 -0.55 8.42 8.14 2z81A1 LYS 452 HA -0.06 0.22 0.87 -0.75 4.32 4.60 2z81A1 LYS 452 HB2 0.00 0.13 -0.13 -0.04 1.87 1.84 2z81A1 LYS 452 HB3 -0.01 -0.07 0.02 -0.04 1.79 1.70 2z81A1 LYS 452 HG2 -0.02 0.03 -0.16 -0.04 1.46 1.27 2z81A1 LYS 452 HG3 -0.01 -0.09 -0.46 -0.04 1.46 0.86 2z81A1 LYS 452 HD2 0.01 0.35 -0.18 -0.04 1.69 1.82 2z81A1 LYS 452 HD3 -0.00 -0.10 -0.20 -0.04 1.68 1.34 2z81A1 LYS 452 HE2 0.00 -0.04 -0.10 -0.04 2.99 2.81 2z81A1 LYS 452 HE3 0.00 0.01 -0.05 -0.04 2.99 2.91 2z81A1 THR 453 H -0.01 0.14 0.14 -0.55 8.28 7.99 2z81A1 THR 453 HA 0.00 0.16 0.36 -0.75 4.39 4.15 2z81A1 THR 453 HB 0.03 0.06 0.20 -0.04 4.32 4.57 2z81A1 THR 453 HG23 0.00 -0.01 0.07 -0.04 1.22 1.24 2z81A1 CYS 454 H 0.04 -0.03 -0.97 -0.55 8.50 7.00 2z81A1 CYS 454 HA 0.14 -0.06 0.08 -0.75 4.58 3.99 2z81A1 CYS 454 HB2 0.08 0.30 -0.16 -0.04 2.97 3.15 2z81A1 CYS 454 HB3 0.10 -0.08 -0.05 -0.04 2.97 2.90 2z81A1 ILE 455 H 0.05 0.29 -0.11 -0.55 8.25 7.93 2z81A1 ILE 455 HA -0.14 0.05 0.37 -0.75 4.18 3.70 2z81A1 ILE 455 HB -0.02 0.02 0.05 -0.04 1.89 1.90 2z81A1 ILE 455 HG12 -0.11 0.01 -0.04 -0.04 1.49 1.31 2z81A1 ILE 455 HG13 -0.00 -0.10 0.03 -0.04 1.21 1.10 2z81A1 ILE 455 HG23 -0.08 0.02 -0.18 -0.04 0.93 0.66 2z81A1 ILE 455 HD13 0.01 -0.02 -0.02 -0.04 0.88 0.81 2z81A1 PRO 456 HA 0.03 0.13 0.51 -0.51 4.44 4.60 2z81A1 PRO 456 HB2 0.01 -0.08 0.02 -0.04 2.28 2.18 2z81A1 PRO 456 HB3 0.12 0.10 0.07 -0.04 2.02 2.27 2z81A1 PRO 456 HG2 -0.19 -0.03 -0.00 -0.04 2.03 1.77 2z81A1 PRO 456 HG3 -0.28 0.10 -0.02 -0.04 2.03 1.79 2z81A1 PRO 456 HD2 -0.44 -0.02 0.14 -0.04 3.68 3.32 2z81A1 PRO 456 HD3 -0.48 0.26 0.18 -0.04 3.65 3.57 2z81A1 GLN 457 H 0.00 0.18 0.16 -0.55 8.47 8.27 2z81A1 GLN 457 HA -0.05 0.14 0.53 -0.75 4.36 4.22 2z81A1 GLN 457 HB2 -0.02 -0.01 0.09 -0.04 2.15 2.18 2z81A1 GLN 457 HB3 -0.08 -0.01 0.20 -0.04 2.02 2.09 2z81A1 GLN 457 HG2 -0.04 0.13 0.10 -0.04 2.40 2.56 2z81A1 GLN 457 HG3 0.00 -0.02 0.11 -0.04 2.39 2.44 2z81A1 GLN 457 HE21 0.18 -0.09 0.06 -0.04 6.97 7.08 2z81A1 GLN 457 HE22 0.04 0.24 0.15 -0.04 7.69 8.08 2z81A1 THR 458 H -0.02 0.02 -0.51 -0.55 8.28 7.22 2z81A1 THR 458 HA -0.01 0.09 0.52 -0.75 4.39 4.23 2z81A1 THR 458 HB 0.01 0.07 0.05 -0.04 4.32 4.41 2z81A1 THR 458 HG23 0.02 -0.03 0.00 -0.04 1.22 1.17 2z81A1 LEU 459 H -0.05 0.16 -0.42 -0.55 8.37 7.51 2z81A1 LEU 459 HA -0.05 0.07 0.41 -0.75 4.35 4.03 2z81A1 LEU 459 HB2 -0.07 0.24 0.02 -0.04 1.64 1.78 2z81A1 LEU 459 HB3 -0.06 -0.09 -0.26 -0.04 1.64 1.18 2z81A1 LEU 459 HG -0.14 0.08 -0.17 -0.04 1.64 1.38 2z81A1 LEU 459 HD13 -0.17 0.01 -0.30 -0.04 0.93 0.44 2z81A1 LEU 459 HD23 -0.18 -0.03 -0.09 -0.04 0.89 0.55 2z81A1 GLU 460 H -0.01 0.58 0.44 -0.55 8.60 9.05 2z81A1 GLU 460 HA -0.01 0.28 0.70 -0.75 4.29 4.51 2z81A1 GLU 460 HB2 0.03 0.06 0.21 -0.04 2.09 2.35 2z81A1 GLU 460 HB3 0.02 -0.11 0.12 -0.04 1.99 1.98 2z81A1 GLU 460 HG2 0.01 0.16 0.07 -0.04 2.34 2.53 2z81A1 GLU 460 HG3 0.00 0.12 -0.14 -0.04 2.34 2.28 2z81A1 VAL 461 H -0.04 0.51 0.40 -0.55 8.24 8.56 2z81A1 VAL 461 HA -0.08 0.20 1.07 -0.75 4.13 4.58 2z81A1 VAL 461 HB 0.04 -0.05 0.22 -0.04 2.12 2.29 2z81A1 VAL 461 HG13 -0.16 -0.03 -0.13 -0.04 0.97 0.61 2z81A1 VAL 461 HG23 0.10 0.00 -0.13 -0.04 0.95 0.88 2z81A1 LEU 462 H -0.15 0.71 0.33 -0.55 8.37 8.71 2z81A1 LEU 462 HA -0.27 0.28 1.05 -0.75 4.35 4.66 2z81A1 LEU 462 HB2 -0.10 0.07 -0.12 -0.04 1.64 1.45 2z81A1 LEU 462 HB3 -0.10 0.00 0.11 -0.04 1.64 1.60 2z81A1 LEU 462 HG -0.09 -0.11 -0.36 -0.04 1.64 1.04 2z81A1 LEU 462 HD13 -0.13 0.04 -0.00 -0.04 0.93 0.79 2z81A1 LEU 462 HD23 0.14 0.00 -0.11 -0.04 0.89 0.88 2z81A1 ASP 463 H -0.25 0.56 0.35 -0.55 8.40 8.51 2z81A1 ASP 463 HA -0.11 0.16 1.15 -0.75 4.63 5.08 2z81A1 ASP 463 HB2 -0.14 0.08 0.02 -0.04 2.71 2.63 2z81A1 ASP 463 HB3 -0.18 -0.16 0.33 -0.04 2.70 2.65 2z81A1 VAL 464 H -0.15 0.80 0.24 -0.55 8.24 8.59 2z81A1 VAL 464 HA -0.09 0.17 0.66 -0.75 4.13 4.12 2z81A1 VAL 464 HB 0.01 -0.03 0.14 -0.04 2.12 2.20 2z81A1 VAL 464 HG13 0.02 -0.01 -0.17 -0.04 0.97 0.77 2z81A1 VAL 464 HG23 -0.03 -0.00 -0.04 -0.04 0.95 0.83 2z81A1 SER 465 H -0.35 -0.04 -0.14 -0.55 8.46 7.39 2z81A1 SER 465 HA -0.21 0.21 0.36 -0.75 4.49 4.09 2z81A1 SER 465 HB2 -0.55 0.15 0.02 -0.04 3.95 3.52 2z81A1 SER 465 HB3 -1.07 -0.18 -0.12 -0.04 3.93 2.51 2z81A1 ASN 466 H -0.14 0.74 0.29 -0.55 8.53 8.87 2z81A1 ASN 466 HA -0.07 0.32 0.57 -0.75 4.76 4.82 2z81A1 ASN 466 HB2 -0.12 -0.06 -0.07 -0.04 2.88 2.59 2z81A1 ASN 466 HB3 -0.10 -0.09 0.19 -0.04 2.79 2.75 2z81A1 ASN 466 HD21 -0.03 0.02 0.06 -0.04 7.03 7.04 2z81A1 ASN 466 HD22 -0.05 -0.07 0.12 -0.04 7.74 7.70 2z81A1 ASN 467 H -0.05 0.25 0.05 -0.55 8.53 8.24 2z81A1 ASN 467 HA -0.02 0.04 0.84 -0.75 4.76 4.87 2z81A1 ASN 467 HB2 -0.02 0.13 0.02 -0.04 2.88 2.97 2z81A1 ASN 467 HB3 0.00 0.06 0.22 -0.04 2.79 3.03 2z81A1 ASN 467 HD21 -0.03 0.34 -0.01 -0.04 7.03 7.29 2z81A1 ASN 467 HD22 -0.04 0.27 -0.17 -0.04 7.74 7.76 2z81A1 ASN 468 H 0.01 0.58 0.10 -0.55 8.53 8.67 2z81A1 ASN 468 HA -0.00 0.19 0.85 -0.75 4.76 5.05 2z81A1 ASN 468 HB2 0.00 -0.04 -0.13 -0.04 2.88 2.68 2z81A1 ASN 468 HB3 0.01 -0.01 0.07 -0.04 2.79 2.82 2z81A1 ASN 468 HD21 0.00 -0.02 0.00 -0.04 7.03 6.97 2z81A1 ASN 468 HD22 0.01 0.01 -0.01 -0.04 7.74 7.71 2z81A1 LEU 469 H 0.01 0.08 -0.12 -0.55 8.37 7.79 2z81A1 LEU 469 HA 0.03 0.31 0.65 -0.75 4.35 4.58 2z81A1 LEU 469 HB2 0.05 -0.04 0.04 -0.04 1.64 1.64 2z81A1 LEU 469 HB3 0.08 0.07 0.01 -0.04 1.64 1.76 2z81A1 LEU 469 HG 0.03 -0.04 -0.05 -0.04 1.64 1.54 2z81A1 LEU 469 HD13 0.13 0.02 -0.04 -0.04 0.93 0.99 2z81A1 LEU 469 HD23 0.05 0.00 -0.45 -0.04 0.89 0.45 2z81A1 ASP 470 H 0.03 0.24 0.29 -0.55 8.40 8.40 2z81A1 ASP 470 HA 0.02 0.24 0.63 -0.75 4.63 4.76 2z81A1 ASP 470 HB2 0.01 0.01 0.14 -0.04 2.71 2.83 2z81A1 ASP 470 HB3 0.01 -0.04 0.08 -0.04 2.70 2.71 2z81A1 SER 471 H 0.05 0.18 0.15 -0.55 8.46 8.29 2z81A1 SER 471 HA 0.09 0.14 0.46 -0.75 4.49 4.42 2z81A1 SER 471 HB2 0.05 -0.01 0.06 -0.04 3.95 4.01 2z81A1 SER 471 HB3 0.03 0.13 -0.18 -0.04 3.93 3.88 2z81A1 PHE 472 H 0.18 0.31 0.09 -0.55 8.34 8.36 2z81A1 PHE 472 HA 0.04 0.08 0.77 -0.75 4.62 4.76 2z81A1 PHE 472 HB2 0.07 0.03 -0.16 -0.04 3.15 3.04 2z81A1 PHE 472 HB3 0.13 0.03 0.10 -0.04 3.06 3.27 2z81A1 PHE 472 HD2 0.14 0.02 -0.13 -0.04 7.28 7.27 2z81A1 PHE 472 HE2 0.16 0.14 -0.06 -0.04 7.38 7.58 2z81A1 PHE 472 HZ 0.08 0.07 -0.10 -0.04 7.32 7.33 2z81A1 SER 473 H -0.38 0.17 0.08 -0.55 8.46 7.79 2z81A1 SER 473 HA -0.01 0.22 0.90 -0.75 4.49 4.85 2z81A1 SER 473 HB2 -0.10 0.02 0.02 -0.04 3.95 3.86 2z81A1 SER 473 HB3 -0.05 0.03 0.15 -0.04 3.93 4.02 2z81A1 LEU 474 H -0.77 0.03 -0.05 -0.55 8.37 7.03 2z81A1 LEU 474 HA -0.11 0.09 0.56 -0.75 4.35 4.14 2z81A1 LEU 474 HB2 -0.72 -0.13 0.00 -0.04 1.64 0.75 2z81A1 LEU 474 HB3 -0.12 0.05 -0.09 -0.04 1.64 1.43 2z81A1 LEU 474 HG -0.04 0.15 -0.21 -0.04 1.64 1.50 2z81A1 LEU 474 HD13 -0.11 -0.01 -0.28 -0.04 0.93 0.49 2z81A1 LEU 474 HD23 -0.06 0.01 -0.17 -0.04 0.89 0.63 2z81A1 PHE 475 H 0.12 0.13 0.15 -0.55 8.34 8.19 2z81A1 PHE 475 HA -0.10 0.15 0.64 -0.75 4.62 4.54 2z81A1 PHE 475 HB2 -0.07 -0.02 0.10 -0.04 3.15 3.11 2z81A1 PHE 475 HB3 -0.04 -0.04 0.21 -0.04 3.06 3.15 2z81A1 PHE 475 HD2 -0.07 -0.02 0.06 -0.04 7.28 7.21 2z81A1 PHE 475 HE2 -0.02 0.05 -0.01 -0.04 7.38 7.35 2z81A1 PHE 475 HZ -0.01 -0.01 0.00 -0.04 7.32 7.27 2z81A1 LEU 476 H -0.10 0.48 0.14 -0.55 8.37 8.34 2z81A1 LEU 476 HA -0.20 0.16 0.82 -0.75 4.35 4.37 2z81A1 LEU 476 HB2 0.16 0.01 0.14 -0.04 1.64 1.91 2z81A1 LEU 476 HB3 0.01 0.03 0.04 -0.04 1.64 1.69 2z81A1 LEU 476 HG 0.16 -0.03 -0.53 -0.04 1.64 1.20 2z81A1 LEU 476 HD13 0.22 -0.03 -0.15 -0.04 0.93 0.93 2z81A1 LEU 476 HD23 -0.01 0.07 -0.21 -0.04 0.89 0.70 2z81A1 PRO 477 HA -0.32 0.06 0.38 -0.51 4.44 4.05 2z81A1 PRO 477 HB2 -0.15 0.03 0.00 -0.04 2.28 2.13 2z81A1 PRO 477 HB3 -0.58 -0.02 0.09 -0.04 2.02 1.47 2z81A1 PRO 477 HG2 -0.19 0.14 0.06 -0.04 2.03 1.99 2z81A1 PRO 477 HG3 -0.24 -0.01 0.06 -0.04 2.03 1.79 2z81A1 PRO 477 HD2 -0.34 0.13 0.23 -0.04 3.68 3.66 2z81A1 PRO 477 HD3 -1.14 0.12 -0.12 -0.04 3.65 2.46 2z81A1 ARG 478 H -0.11 0.15 -0.32 -0.55 8.46 7.63 2z81A1 ARG 478 HA -0.02 0.17 0.87 -0.75 4.34 4.60 2z81A1 ARG 478 HB2 -0.03 0.22 -0.14 -0.04 1.90 1.90 2z81A1 ARG 478 HB3 -0.01 -0.06 0.06 -0.04 1.80 1.75 2z81A1 ARG 478 HG2 -0.02 -0.03 -0.11 -0.04 1.67 1.47 2z81A1 ARG 478 HG3 -0.05 -0.05 -0.10 -0.04 1.67 1.42 2z81A1 ARG 478 HD2 -0.02 0.11 -0.00 -0.04 3.22 3.27 2z81A1 ARG 478 HD3 -0.01 -0.02 -0.03 -0.04 3.22 3.13 2z81A1 LEU 479 H -0.01 0.36 -0.14 -0.55 8.37 8.03 2z81A1 LEU 479 HA -0.00 0.00 0.37 -0.75 4.35 3.97 2z81A1 LEU 479 HB2 0.08 0.05 0.08 -0.04 1.64 1.81 2z81A1 LEU 479 HB3 0.15 -0.05 0.01 -0.04 1.64 1.71 2z81A1 LEU 479 HG -0.05 -0.09 -0.32 -0.04 1.64 1.14 2z81A1 LEU 479 HD13 -0.03 -0.03 -0.37 -0.04 0.93 0.46 2z81A1 LEU 479 HD23 -0.01 -0.03 -0.16 -0.04 0.89 0.65 2z81A1 GLN 480 H -0.01 0.71 0.49 -0.55 8.47 9.11 2z81A1 GLN 480 HA 0.02 0.25 0.93 -0.75 4.36 4.79 2z81A1 GLN 480 HB2 0.01 0.03 0.20 -0.04 2.15 2.35 2z81A1 GLN 480 HB3 0.02 -0.10 0.16 -0.04 2.02 2.06 2z81A1 GLN 480 HG2 0.02 0.11 -0.03 -0.04 2.40 2.47 2z81A1 GLN 480 HG3 0.01 0.17 0.13 -0.04 2.39 2.66 2z81A1 GLN 480 HE21 0.02 -0.06 0.02 -0.04 6.97 6.91 2z81A1 GLN 480 HE22 0.02 0.06 0.02 -0.04 7.69 7.76 2z81A1 GLU 481 H -0.04 0.42 0.35 -0.55 8.60 8.78 2z81A1 GLU 481 HA -0.08 0.27 1.06 -0.75 4.29 4.79 2z81A1 GLU 481 HB2 -0.02 0.05 -0.08 -0.04 2.09 2.00 2z81A1 GLU 481 HB3 -0.04 -0.08 0.17 -0.04 1.99 2.00 2z81A1 GLU 481 HG2 -0.12 -0.06 -0.31 -0.04 2.34 1.81 2z81A1 GLU 481 HG3 -0.09 0.02 -0.00 -0.04 2.34 2.23 2z81A1 LEU 482 H -0.18 0.70 0.32 -0.55 8.37 8.67 2z81A1 LEU 482 HA -0.20 0.28 1.04 -0.75 4.35 4.71 2z81A1 LEU 482 HB2 -0.46 0.06 -0.07 -0.04 1.64 1.13 2z81A1 LEU 482 HB3 -0.45 0.00 0.15 -0.04 1.64 1.30 2z81A1 LEU 482 HG -0.34 -0.09 -0.40 -0.04 1.64 0.76 2z81A1 LEU 482 HD13 -0.48 0.02 -0.06 -0.04 0.93 0.38 2z81A1 LEU 482 HD23 -0.77 0.00 -0.12 -0.04 0.89 -0.03 2z81A1 TYR 483 H -0.08 0.61 0.35 -0.55 8.29 8.62 2z81A1 TYR 483 HA -0.24 0.08 0.96 -0.75 4.56 4.61 2z81A1 TYR 483 HB2 -0.22 0.08 0.01 -0.04 3.06 2.89 2z81A1 TYR 483 HB3 -0.19 -0.15 0.33 -0.04 2.98 2.93 2z81A1 TYR 483 HD2 -0.19 -0.01 0.07 -0.04 7.15 6.97 2z81A1 TYR 483 HE2 -0.18 0.01 -0.03 -0.04 6.85 6.61 2z81A1 ILE 484 H 0.06 0.82 0.25 -0.55 8.25 8.84 2z81A1 ILE 484 HA -0.11 0.11 0.46 -0.75 4.18 3.88 2z81A1 ILE 484 HB -0.20 -0.03 -0.27 -0.04 1.89 1.35 2z81A1 ILE 484 HG12 -0.02 -0.03 0.05 -0.04 1.49 1.44 2z81A1 ILE 484 HG13 -0.04 0.09 -0.02 -0.04 1.21 1.20 2z81A1 ILE 484 HG23 -0.07 0.03 -0.08 -0.04 0.93 0.77 2z81A1 ILE 484 HD13 -0.01 -0.01 -0.11 -0.04 0.88 0.71 2z81A1 SER 485 H 0.11 -0.05 -0.01 -0.55 8.46 7.97 2z81A1 SER 485 HA 0.01 0.27 0.34 -0.75 4.49 4.35 2z81A1 SER 485 HB2 0.25 -0.06 -0.01 -0.04 3.95 4.09 2z81A1 SER 485 HB3 0.07 0.08 -0.07 -0.04 3.93 3.97 2z81A1 ARG 486 H -0.01 0.54 0.16 -0.55 8.46 8.60 2z81A1 ARG 486 HA -0.01 0.38 0.58 -0.75 4.34 4.53 2z81A1 ARG 486 HB2 -0.07 -0.12 0.12 -0.04 1.90 1.80 2z81A1 ARG 486 HB3 -0.03 0.04 0.27 -0.04 1.80 2.04 2z81A1 ARG 486 HG2 0.01 0.10 0.06 -0.04 1.67 1.80 2z81A1 ARG 486 HG3 0.01 -0.13 -0.21 -0.04 1.67 1.30 2z81A1 ARG 486 HD2 -0.01 0.05 0.03 -0.04 3.22 3.25 2z81A1 ARG 486 HD3 0.02 -0.01 -0.03 -0.04 3.22 3.16 2z81A1 ASN 487 H -0.02 0.27 0.15 -0.55 8.53 8.39 2z81A1 ASN 487 HA -0.02 0.25 0.68 -0.75 4.76 4.91 2z81A1 ASN 487 HB2 -0.01 0.13 -0.04 -0.04 2.88 2.92 2z81A1 ASN 487 HB3 0.00 -0.03 0.18 -0.04 2.79 2.90 2z81A1 ASN 487 HD21 -0.06 0.30 0.01 -0.04 7.03 7.25 2z81A1 ASN 487 HD22 -0.05 0.23 -0.45 -0.04 7.74 7.43 2z81A1 LYS 488 H 0.00 0.62 0.16 -0.55 8.42 8.64 2z81A1 LYS 488 HA -0.02 0.21 0.96 -0.75 4.32 4.72 2z81A1 LYS 488 HB2 -0.00 0.07 -0.07 -0.04 1.87 1.83 2z81A1 LYS 488 HB3 -0.01 -0.05 0.17 -0.04 1.79 1.86 2z81A1 LYS 488 HG2 -0.01 0.04 -0.08 -0.04 1.46 1.37 2z81A1 LYS 488 HG3 -0.01 -0.01 -0.30 -0.04 1.46 1.10 2z81A1 LYS 488 HD2 -0.00 0.01 -0.07 -0.04 1.69 1.58 2z81A1 LYS 488 HD3 -0.01 -0.03 -0.03 -0.04 1.68 1.58 2z81A1 LYS 488 HE2 -0.01 0.02 -0.06 -0.04 2.99 2.90 2z81A1 LYS 488 HE3 -0.01 -0.03 -0.03 -0.04 2.99 2.88 2z81A1 LEU 489 H -0.00 0.07 -0.15 -0.55 8.37 7.74 2z81A1 LEU 489 HA 0.02 0.26 0.47 -0.75 4.35 4.34 2z81A1 LEU 489 HB2 0.01 -0.02 0.01 -0.04 1.64 1.60 2z81A1 LEU 489 HB3 0.03 0.05 -0.16 -0.04 1.64 1.52 2z81A1 LEU 489 HG 0.07 0.02 -0.31 -0.04 1.64 1.39 2z81A1 LEU 489 HD13 0.05 0.04 -0.31 -0.04 0.93 0.68 2z81A1 LEU 489 HD23 0.09 0.04 -0.08 -0.04 0.89 0.89 2z81A1 LYS 490 H 0.00 0.25 0.27 -0.55 8.42 8.39 2z81A1 LYS 490 HA -0.05 0.25 0.60 -0.75 4.32 4.36 2z81A1 LYS 490 HB2 -0.01 -0.01 0.12 -0.04 1.87 1.93 2z81A1 LYS 490 HB3 -0.02 -0.04 0.15 -0.04 1.79 1.84 2z81A1 LYS 490 HG2 -0.03 0.10 -0.00 -0.04 1.46 1.48 2z81A1 LYS 490 HG3 -0.02 0.13 -0.03 -0.04 1.46 1.50 2z81A1 LYS 490 HD2 -0.01 -0.02 0.04 -0.04 1.69 1.66 2z81A1 LYS 490 HD3 -0.01 -0.04 0.05 -0.04 1.68 1.64 2z81A1 LYS 490 HE2 -0.01 0.03 0.02 -0.04 2.99 2.98 2z81A1 LYS 490 HE3 -0.01 -0.05 0.02 -0.04 2.99 2.91 2z81A1 THR 491 H 0.02 0.13 0.04 -0.55 8.28 7.92 2z81A1 THR 491 HA 0.03 0.15 0.85 -0.75 4.39 4.67 2z81A1 THR 491 HB 0.03 -0.03 0.04 -0.04 4.32 4.32 2z81A1 THR 491 HG23 0.02 0.07 -0.05 -0.04 1.22 1.21 2z81A1 LEU 492 H 0.06 0.13 0.10 -0.55 8.37 8.12 2z81A1 LEU 492 HA 0.10 0.08 0.40 -0.75 4.35 4.18 2z81A1 LEU 492 HB2 0.11 -0.02 0.11 -0.04 1.64 1.81 2z81A1 LEU 492 HB3 0.03 -0.04 0.05 -0.04 1.64 1.63 2z81A1 LEU 492 HG 0.13 0.18 -0.07 -0.04 1.64 1.84 2z81A1 LEU 492 HD13 0.25 -0.01 -0.05 -0.04 0.93 1.07 2z81A1 LEU 492 HD23 -0.05 -0.03 -0.08 -0.04 0.89 0.69 2z81A1 PRO 493 HA 0.14 0.03 0.50 -0.51 4.44 4.60 2z81A1 PRO 493 HB2 0.46 0.10 -0.04 -0.04 2.28 2.75 2z81A1 PRO 493 HB3 0.35 0.01 0.16 -0.04 2.02 2.49 2z81A1 PRO 493 HG2 0.29 0.04 -0.03 -0.04 2.03 2.29 2z81A1 PRO 493 HG3 0.13 0.01 -0.01 -0.04 2.03 2.12 2z81A1 PRO 493 HD2 0.12 0.04 0.16 -0.04 3.68 3.96 2z81A1 PRO 493 HD3 0.12 0.13 0.15 -0.04 3.65 4.01 2z81A1 ASP 494 H 0.06 0.11 0.15 -0.55 8.40 8.18 2z81A1 ASP 494 HA 0.01 0.03 0.36 -0.75 4.63 4.28 2z81A1 ASP 494 HB2 -0.01 0.05 0.14 -0.04 2.71 2.85 2z81A1 ASP 494 HB3 -0.06 -0.01 0.03 -0.04 2.70 2.61 2z81A1 ALA 495 H 0.01 0.12 0.14 -0.55 8.40 8.12 2z81A1 ALA 495 HA 0.19 0.14 0.32 -0.75 4.34 4.24 2z81A1 ALA 495 HB3 0.03 0.02 0.00 -0.04 1.41 1.42 2z81A1 SER 496 H -0.03 0.00 -0.27 -0.55 8.46 7.62 2z81A1 SER 496 HA 0.02 0.16 0.30 -0.75 4.49 4.22 2z81A1 SER 496 HB2 -0.08 0.05 0.04 -0.04 3.95 3.92 2z81A1 SER 496 HB3 -0.04 -0.01 0.03 -0.04 3.93 3.87 2z81A1 LEU 497 H -0.22 0.37 -0.69 -0.55 8.37 7.29 2z81A1 LEU 497 HA 0.10 0.03 0.41 -0.75 4.35 4.14 2z81A1 LEU 497 HB2 -1.43 0.15 -0.10 -0.04 1.64 0.22 2z81A1 LEU 497 HB3 -0.60 0.08 -0.07 -0.04 1.64 1.01 2z81A1 LEU 497 HG -0.16 -0.11 -0.10 -0.04 1.64 1.22 2z81A1 LEU 497 HD13 0.01 -0.02 -0.14 -0.04 0.93 0.74 2z81A1 LEU 497 HD23 -0.04 -0.01 -0.33 -0.04 0.89 0.47 2z81A1 PHE 498 H -0.08 0.39 -0.38 -0.55 8.34 7.71 2z81A1 PHE 498 HA 0.05 0.27 0.79 -0.75 4.62 4.99 2z81A1 PHE 498 HB2 0.05 -0.05 0.16 -0.04 3.15 3.27 2z81A1 PHE 498 HB3 0.02 0.08 -0.00 -0.04 3.06 3.12 2z81A1 PHE 498 HD2 0.05 0.08 -0.12 -0.04 7.28 7.25 2z81A1 PHE 498 HE2 0.08 0.01 -0.20 -0.04 7.38 7.23 2z81A1 PHE 498 HZ 0.04 -0.08 -0.14 -0.04 7.32 7.09 2z81A1 PRO 499 HA 0.12 0.10 0.47 -0.51 4.44 4.62 2z81A1 PRO 499 HB2 0.09 0.01 0.03 -0.04 2.28 2.37 2z81A1 PRO 499 HB3 0.12 -0.01 0.09 -0.04 2.02 2.18 2z81A1 PRO 499 HG2 0.08 0.17 0.05 -0.04 2.03 2.30 2z81A1 PRO 499 HG3 0.19 -0.01 0.04 -0.04 2.03 2.20 2z81A1 PRO 499 HD2 0.10 0.18 -0.09 -0.04 3.68 3.83 2z81A1 PRO 499 HD3 0.25 0.23 -0.22 -0.04 3.65 3.88 2z81A1 VAL 500 H 0.11 0.17 -0.38 -0.55 8.24 7.59 2z81A1 VAL 500 HA 0.07 0.17 0.87 -0.75 4.13 4.49 2z81A1 VAL 500 HB 0.04 -0.04 0.12 -0.04 2.12 2.20 2z81A1 VAL 500 HG13 0.05 -0.02 -0.17 -0.04 0.97 0.79 2z81A1 VAL 500 HG23 0.04 0.05 -0.18 -0.04 0.95 0.82 2z81A1 LEU 501 H 0.13 0.27 -0.22 -0.55 8.37 8.00 2z81A1 LEU 501 HA 0.03 0.14 0.42 -0.75 4.35 4.19 2z81A1 LEU 501 HB2 0.14 0.04 0.04 -0.04 1.64 1.82 2z81A1 LEU 501 HB3 0.07 -0.06 -0.03 -0.04 1.64 1.59 2z81A1 LEU 501 HG -0.06 -0.06 -0.29 -0.04 1.64 1.19 2z81A1 LEU 501 HD13 -0.20 -0.02 -0.36 -0.04 0.93 0.31 2z81A1 LEU 501 HD23 -0.29 -0.03 -0.17 -0.04 0.89 0.37 2z81A1 LEU 502 H 0.01 0.59 0.44 -0.55 8.37 8.87 2z81A1 LEU 502 HA 0.05 0.32 0.76 -0.75 4.35 4.72 2z81A1 LEU 502 HB2 0.03 0.03 0.19 -0.04 1.64 1.84 2z81A1 LEU 502 HB3 0.04 -0.09 0.13 -0.04 1.64 1.68 2z81A1 LEU 502 HG 0.03 0.10 0.14 -0.04 1.64 1.86 2z81A1 LEU 502 HD13 0.03 -0.04 0.04 -0.04 0.93 0.92 2z81A1 LEU 502 HD23 0.04 0.01 -0.06 -0.04 0.89 0.83 2z81A1 VAL 503 H -0.01 0.50 0.40 -0.55 8.24 8.59 2z81A1 VAL 503 HA 0.09 0.34 1.12 -0.75 4.13 4.92 2z81A1 VAL 503 HB -0.01 -0.07 0.19 -0.04 2.12 2.18 2z81A1 VAL 503 HG13 0.09 -0.02 -0.18 -0.04 0.97 0.82 2z81A1 VAL 503 HG23 0.09 0.00 -0.13 -0.04 0.95 0.87 2z81A1 MET 504 H 0.11 0.60 0.34 -0.55 8.47 8.97 2z81A1 MET 504 HA -0.12 0.27 1.07 -0.75 4.52 4.98 2z81A1 MET 504 HB2 -0.10 0.06 -0.10 -0.04 2.15 1.97 2z81A1 MET 504 HB3 0.01 -0.02 0.10 -0.04 2.03 2.08 2z81A1 MET 504 HG2 -0.02 -0.09 -0.41 -0.04 2.63 2.08 2z81A1 MET 504 HG3 -0.18 0.03 -0.05 -0.04 2.56 2.32 2z81A1 MET 504 HE3 -0.14 0.03 -0.12 -0.04 2.10 1.83 2z81A1 LYS 505 H -0.12 0.69 0.35 -0.55 8.42 8.78 2z81A1 LYS 505 HA 0.08 0.06 1.05 -0.75 4.32 4.76 2z81A1 LYS 505 HB2 -0.29 -0.18 0.35 -0.04 1.87 1.71 2z81A1 LYS 505 HB3 -0.62 -0.03 0.13 -0.04 1.79 1.23 2z81A1 LYS 505 HG2 -1.16 0.07 -0.14 -0.04 1.46 0.18 2z81A1 LYS 505 HG3 -0.58 0.09 -0.14 -0.04 1.46 0.78 2z81A1 LYS 505 HD2 -2.13 -0.08 -0.00 -0.04 1.69 -0.55 2z81A1 LYS 505 HD3 -1.94 -0.01 -0.02 -0.04 1.68 -0.32 2z81A1 LYS 505 HE2 -1.71 0.05 -0.09 -0.04 2.99 1.19 2z81A1 LYS 505 HE3 -0.74 0.02 -0.11 -0.04 2.99 2.13 2z81A1 ILE 506 H 0.10 0.64 0.17 -0.55 8.25 8.61 2z81A1 ILE 506 HA 0.02 0.12 0.51 -0.75 4.18 4.08 2z81A1 ILE 506 HB 0.03 -0.01 -0.27 -0.04 1.89 1.59 2z81A1 ILE 506 HG12 0.05 -0.04 0.06 -0.04 1.49 1.52 2z81A1 ILE 506 HG13 0.02 0.09 -0.04 -0.04 1.21 1.24 2z81A1 ILE 506 HG23 0.16 0.01 -0.06 -0.04 0.93 0.99 2z81A1 ILE 506 HD13 0.07 -0.01 -0.07 -0.04 0.88 0.83 2z81A1 SER 507 H 0.00 -0.06 -0.05 -0.55 8.46 7.80 2z81A1 SER 507 HA -0.02 0.27 0.32 -0.75 4.49 4.31 2z81A1 SER 507 HB2 -0.44 0.12 -0.02 -0.04 3.95 3.57 2z81A1 SER 507 HB3 -0.46 -0.17 -0.11 -0.04 3.93 3.15 2z81A1 ARG 508 H 0.02 0.42 0.19 -0.55 8.46 8.54 2z81A1 ARG 508 HA 0.00 0.46 0.58 -0.75 4.34 4.64 2z81A1 ARG 508 HB2 0.02 -0.17 0.03 -0.04 1.90 1.74 2z81A1 ARG 508 HB3 0.02 0.06 0.27 -0.04 1.80 2.11 2z81A1 ARG 508 HG2 0.10 0.08 0.12 -0.04 1.67 1.93 2z81A1 ARG 508 HG3 0.11 -0.12 -0.11 -0.04 1.67 1.51 2z81A1 ARG 508 HD2 0.08 -0.05 -0.03 -0.04 3.22 3.18 2z81A1 ARG 508 HD3 0.05 0.05 0.04 -0.04 3.22 3.33 2z81A1 ASN 509 H -0.08 0.08 -0.15 -0.55 8.53 7.84 2z81A1 ASN 509 HA -0.04 0.41 0.84 -0.75 4.76 5.22 2z81A1 ASN 509 HB2 -0.06 0.05 -0.01 -0.04 2.88 2.82 2z81A1 ASN 509 HB3 -0.05 -0.03 0.17 -0.04 2.79 2.83 2z81A1 ASN 509 HD21 -0.01 0.26 -0.03 -0.04 7.03 7.21 2z81A1 ASN 509 HD22 -0.01 0.20 -0.57 -0.04 7.74 7.32 2z81A1 GLN 510 H -0.09 0.55 0.07 -0.55 8.47 8.45 2z81A1 GLN 510 HA -0.14 0.18 0.87 -0.75 4.36 4.51 2z81A1 GLN 510 HB2 -0.06 0.06 -0.15 -0.04 2.15 1.97 2z81A1 GLN 510 HB3 -0.07 -0.05 0.15 -0.04 2.02 2.00 2z81A1 GLN 510 HG2 -0.06 0.04 -0.09 -0.04 2.40 2.26 2z81A1 GLN 510 HG3 -0.05 -0.01 -0.41 -0.04 2.39 1.88 2z81A1 GLN 510 HE21 -0.02 -0.03 -0.01 -0.04 6.97 6.86 2z81A1 GLN 510 HE22 -0.02 0.01 -0.02 -0.04 7.69 7.62 2z81A1 LEU 511 H -0.31 0.05 -0.11 -0.55 8.37 7.45 2z81A1 LEU 511 HA -0.18 0.11 0.47 -0.75 4.35 4.00 2z81A1 LEU 511 HB2 -1.00 -0.02 -0.04 -0.04 1.64 0.54 2z81A1 LEU 511 HB3 -0.32 0.03 -0.10 -0.04 1.64 1.21 2z81A1 LEU 511 HG -0.14 -0.04 -0.06 -0.04 1.64 1.36 2z81A1 LEU 511 HD13 0.14 0.01 -0.09 -0.04 0.93 0.96 2z81A1 LEU 511 HD23 0.00 0.01 -0.47 -0.04 0.89 0.38 2z81A1 LYS 512 H -0.09 0.15 0.26 -0.55 8.42 8.20 2z81A1 LYS 512 HA -0.11 0.35 0.74 -0.75 4.32 4.54 2z81A1 LYS 512 HB2 0.01 -0.00 0.14 -0.04 1.87 1.97 2z81A1 LYS 512 HB3 0.04 -0.10 0.14 -0.04 1.79 1.82 2z81A1 LYS 512 HG2 -0.06 0.25 0.04 -0.04 1.46 1.65 2z81A1 LYS 512 HG3 -0.08 0.12 -0.11 -0.04 1.46 1.35 2z81A1 LYS 512 HD2 -0.01 -0.00 0.04 -0.04 1.69 1.68 2z81A1 LYS 512 HD3 0.01 -0.08 0.04 -0.04 1.68 1.61 2z81A1 LYS 512 HE2 -0.01 -0.05 0.02 -0.04 2.99 2.91 2z81A1 LYS 512 HE3 -0.02 -0.01 0.02 -0.04 2.99 2.94 2z81A1 SER 513 H 0.14 0.19 0.20 -0.55 8.46 8.45 2z81A1 SER 513 HA 0.45 0.10 0.49 -0.75 4.49 4.77 2z81A1 SER 513 HB2 0.14 0.03 0.14 -0.04 3.95 4.21 2z81A1 SER 513 HB3 0.15 0.10 -0.18 -0.04 3.93 3.96 2z81A1 VAL 514 H 0.15 0.28 0.17 -0.55 8.24 8.29 2z81A1 VAL 514 HA 0.07 0.17 0.79 -0.75 4.13 4.40 2z81A1 VAL 514 HB -0.24 0.06 0.05 -0.04 2.12 1.95 2z81A1 VAL 514 HG13 0.27 -0.01 -0.26 -0.04 0.97 0.93 2z81A1 VAL 514 HG23 -0.00 -0.00 -0.16 -0.04 0.95 0.74 2z81A1 PRO 515 HA -0.08 0.07 0.53 -0.51 4.44 4.45 2z81A1 PRO 515 HB2 -0.16 0.00 0.01 -0.04 2.28 2.09 2z81A1 PRO 515 HB3 -0.10 0.07 0.09 -0.04 2.02 2.04 2z81A1 PRO 515 HG2 -0.07 0.07 0.05 -0.04 2.03 2.04 2z81A1 PRO 515 HG3 -0.04 0.06 0.04 -0.04 2.03 2.05 2z81A1 PRO 515 HD2 -0.15 0.09 0.17 -0.04 3.68 3.74 2z81A1 PRO 515 HD3 -0.03 0.13 0.20 -0.04 3.65 3.90 2z81A1 ASP 516 H -0.15 0.13 0.19 -0.55 8.40 8.02 2z81A1 ASP 516 HA -0.59 -0.02 0.40 -0.75 4.63 3.67 2z81A1 ASP 516 HB2 -0.17 0.03 0.12 -0.04 2.71 2.65 2z81A1 ASP 516 HB3 -0.25 0.03 0.03 -0.04 2.70 2.47 2z81A1 GLY 517 H -2.66 0.09 0.14 -0.55 8.43 5.46 2z81A1 GLY 517 HA2 -0.51 0.02 0.30 -0.51 4.01 3.31 2z81A1 GLY 517 HA3 -0.33 0.15 0.34 -0.51 4.01 3.67 2z81A1 ILE 518 H -0.53 0.41 -0.41 -0.55 8.25 7.17 2z81A1 ILE 518 HA -0.19 0.09 0.24 -0.75 4.18 3.57 2z81A1 ILE 518 HB -0.30 0.09 0.01 -0.04 1.89 1.64 2z81A1 ILE 518 HG12 -0.24 0.05 -0.19 -0.04 1.49 1.07 2z81A1 ILE 518 HG13 -0.13 -0.07 0.04 -0.04 1.21 1.01 2z81A1 ILE 518 HG23 -0.92 0.00 -0.06 -0.04 0.93 -0.09 2z81A1 ILE 518 HD13 -0.12 0.01 -0.05 -0.04 0.88 0.68 2z81A1 PHE 519 H -0.39 0.07 -0.16 -0.55 8.34 7.30 2z81A1 PHE 519 HA -0.23 0.14 0.41 -0.75 4.62 4.19 2z81A1 PHE 519 HB2 -1.73 -0.04 -0.05 -0.04 3.15 1.30 2z81A1 PHE 519 HB3 -1.43 0.12 -0.03 -0.04 3.06 1.67 2z81A1 PHE 519 HD2 -0.70 0.04 -0.10 -0.04 7.28 6.48 2z81A1 PHE 519 HE2 -0.22 0.00 -0.11 -0.04 7.38 7.01 2z81A1 PHE 519 HZ -0.06 0.00 -0.12 -0.04 7.32 7.11 2z81A1 ASP 520 H 0.13 0.11 -0.44 -0.55 8.40 7.66 2z81A1 ASP 520 HA 0.33 0.17 0.41 -0.75 4.63 4.79 2z81A1 ASP 520 HB2 0.16 0.11 0.02 -0.04 2.71 2.95 2z81A1 ASP 520 HB3 0.18 0.03 0.05 -0.04 2.70 2.92 2z81A1 ARG 521 H 0.05 0.28 -0.59 -0.55 8.46 7.65 2z81A1 ARG 521 HA 0.06 0.12 0.63 -0.75 4.34 4.40 2z81A1 ARG 521 HB2 0.01 0.14 0.06 -0.04 1.90 2.06 2z81A1 ARG 521 HB3 0.02 -0.07 0.05 -0.04 1.80 1.77 2z81A1 ARG 521 HG2 0.01 0.00 -0.12 -0.04 1.67 1.52 2z81A1 ARG 521 HG3 -0.03 0.26 -0.05 -0.04 1.67 1.80 2z81A1 ARG 521 HD2 -0.05 -0.09 -0.07 -0.04 3.22 2.97 2z81A1 ARG 521 HD3 -0.02 -0.03 -0.04 -0.04 3.22 3.09 2z81A1 LEU 522 H 0.13 0.29 -0.48 -0.55 8.37 7.76 2z81A1 LEU 522 HA 0.13 0.17 0.64 -0.75 4.35 4.53 2z81A1 LEU 522 HB2 0.16 0.15 0.21 -0.04 1.64 2.12 2z81A1 LEU 522 HB3 0.13 -0.04 0.13 -0.04 1.64 1.83 2z81A1 LEU 522 HG 0.16 0.05 -0.01 -0.04 1.64 1.80 2z81A1 LEU 522 HD13 0.15 0.06 -0.13 -0.04 0.93 0.96 2z81A1 LEU 522 HD23 0.22 -0.04 -0.06 -0.04 0.89 0.96 2z81A1 THR 523 H 0.10 0.37 -0.23 -0.55 8.28 7.96 2z81A1 THR 523 HA 0.11 0.11 0.29 -0.75 4.39 4.14 2z81A1 THR 523 HB 0.07 -0.03 0.08 -0.04 4.32 4.39 2z81A1 THR 523 HG23 0.07 -0.00 -0.02 -0.04 1.22 1.23 2z81A1 SER 524 H 0.09 0.08 -0.42 -0.55 8.46 7.67 2z81A1 SER 524 HA 0.06 0.16 0.86 -0.75 4.49 4.81 2z81A1 SER 524 HB2 0.07 0.11 -0.35 -0.04 3.95 3.74 2z81A1 SER 524 HB3 0.05 -0.05 -0.02 -0.04 3.93 3.87 2z81A1 LEU 525 H 0.11 0.21 -0.19 -0.55 8.37 7.96 2z81A1 LEU 525 HA 0.08 0.02 0.35 -0.75 4.35 4.04 2z81A1 LEU 525 HB2 0.13 -0.03 0.08 -0.04 1.64 1.78 2z81A1 LEU 525 HB3 0.19 0.04 0.06 -0.04 1.64 1.88 2z81A1 LEU 525 HG 0.11 -0.01 -0.37 -0.04 1.64 1.33 2z81A1 LEU 525 HD13 0.06 -0.00 -0.23 -0.04 0.93 0.72 2z81A1 LEU 525 HD23 0.14 -0.04 -0.14 -0.04 0.89 0.81 2z81A1 GLN 526 H 0.06 0.64 0.48 -0.55 8.47 9.10 2z81A1 GLN 526 HA 0.03 0.14 0.95 -0.75 4.36 4.72 2z81A1 GLN 526 HB2 0.04 0.05 0.23 -0.04 2.15 2.42 2z81A1 GLN 526 HB3 0.02 -0.10 0.07 -0.04 2.02 1.97 2z81A1 GLN 526 HG2 0.02 -0.05 0.02 -0.04 2.40 2.34 2z81A1 GLN 526 HG3 0.04 0.32 -0.05 -0.04 2.39 2.65 2z81A1 GLN 526 HE21 0.02 -0.08 0.02 -0.04 6.97 6.89 2z81A1 GLN 526 HE22 0.03 0.11 0.03 -0.04 7.69 7.81 2z81A1 LYS 527 H 0.07 0.39 0.42 -0.55 8.42 8.75 2z81A1 LYS 527 HA -0.07 0.40 0.98 -0.75 4.32 4.88 2z81A1 LYS 527 HB2 0.20 -0.12 0.09 -0.04 1.87 2.01 2z81A1 LYS 527 HB3 -0.18 -0.04 0.05 -0.04 1.79 1.57 2z81A1 LYS 527 HG2 -0.09 0.22 -0.00 -0.04 1.46 1.55 2z81A1 LYS 527 HG3 0.02 -0.07 -0.41 -0.04 1.46 0.96 2z81A1 LYS 527 HD2 0.14 -0.07 -0.05 -0.04 1.69 1.67 2z81A1 LYS 527 HD3 -0.00 -0.05 -0.03 -0.04 1.68 1.55 2z81A1 LYS 527 HE2 -0.05 0.10 -0.02 -0.04 2.99 2.98 2z81A1 LYS 527 HE3 0.01 -0.01 -0.04 -0.04 2.99 2.91 2z81A1 ILE 528 H -0.17 0.72 0.28 -0.55 8.25 8.53 2z81A1 ILE 528 HA 0.24 0.28 0.94 -0.75 4.18 4.89 2z81A1 ILE 528 HB -0.01 0.06 -0.25 -0.04 1.89 1.65 2z81A1 ILE 528 HG12 -0.04 -0.10 -0.33 -0.04 1.49 0.98 2z81A1 ILE 528 HG13 0.04 0.16 0.10 -0.04 1.21 1.46 2z81A1 ILE 528 HG23 -0.05 -0.02 -0.21 -0.04 0.93 0.61 2z81A1 ILE 528 HD13 -0.43 -0.01 -0.13 -0.04 0.88 0.27 2z81A1 TRP 529 H 0.44 0.55 0.39 -0.55 7.97 8.81 2z81A1 TRP 529 HA -0.01 0.28 0.96 -0.75 4.62 5.10 2z81A1 TRP 529 HB2 -0.11 -0.13 0.37 -0.04 3.23 3.31 2z81A1 TRP 529 HB3 -0.21 -0.07 0.09 -0.04 3.23 2.99 2z81A1 TRP 529 HD1 0.18 -0.04 -0.01 -0.04 7.22 7.31 2z81A1 TRP 529 HE1 0.04 0.01 -0.05 -0.04 10.20 10.16 2z81A1 TRP 529 HE3 -0.09 0.06 -0.17 -0.04 7.59 7.35 2z81A1 TRP 529 HZ2 -0.05 0.01 -0.05 -0.04 7.44 7.32 2z81A1 TRP 529 HZ3 -0.08 0.05 -0.18 -0.04 7.13 6.87 2z81A1 TRP 529 HH2 -0.07 0.05 -0.07 -0.04 7.19 7.06 2z81A1 LEU 530 H 0.10 0.23 0.09 -0.55 8.37 8.24 2z81A1 LEU 530 HA 0.24 0.26 0.76 -0.75 4.35 4.86 2z81A1 LEU 530 HB2 0.09 -0.01 -0.09 -0.04 1.64 1.59 2z81A1 LEU 530 HB3 0.39 -0.01 0.02 -0.04 1.64 1.99 2z81A1 LEU 530 HG -0.06 -0.00 -0.39 -0.04 1.64 1.14 2z81A1 LEU 530 HD13 -0.33 0.00 -0.14 -0.04 0.93 0.43 2z81A1 LEU 530 HD23 0.27 0.03 -0.14 -0.04 0.89 1.01 2z81A1 HIS 531 H 0.06 0.06 -0.01 -0.55 8.41 7.98 2z81A1 HIS 531 HA 0.28 0.06 0.39 -0.75 4.63 4.60 2z81A1 HIS 531 HB2 0.12 0.05 0.12 -0.04 3.26 3.51 2z81A1 HIS 531 HB3 0.11 -0.03 -0.11 -0.04 3.20 3.13 2z81A1 HIS 531 HD2 0.11 0.31 0.13 -0.04 6.97 7.48 2z81A1 HIS 531 HE1 0.16 0.03 -0.07 -0.04 7.75 7.82 2z81A1 THR 532 H 0.28 0.17 0.22 -0.55 8.28 8.40 2z81A1 THR 532 HA 0.13 0.08 0.39 -0.75 4.39 4.24 2z81A1 THR 532 HB 0.16 -0.15 0.22 -0.04 4.32 4.51 2z81A1 THR 532 HG23 0.07 0.03 0.14 -0.04 1.22 1.43 2z81A1 ASN 533 H 0.03 0.13 0.05 -0.55 8.53 8.20 2z81A1 ASN 533 HA -0.25 0.28 0.76 -0.75 4.76 4.79 2z81A1 ASN 533 HB2 -0.73 0.03 -0.00 -0.04 2.88 2.14 2z81A1 ASN 533 HB3 -1.30 0.23 -0.06 -0.04 2.79 1.62 2z81A1 ASN 533 HD21 0.00 0.34 0.01 -0.04 7.03 7.34 2z81A1 ASN 533 HD22 0.14 0.29 -0.27 -0.04 7.74 7.85 2z81A1 PRO 534 HA -0.08 0.04 0.54 -0.51 4.44 4.43 2z81A1 PRO 534 HB2 -0.07 -0.03 0.14 -0.04 2.28 2.29 2z81A1 PRO 534 HB3 -0.07 -0.01 0.07 -0.04 2.02 1.96 2z81A1 PRO 534 HG2 -0.20 0.09 -0.31 -0.04 2.03 1.57 2z81A1 PRO 534 HG3 -0.12 0.03 -0.01 -0.04 2.03 1.89 2z81A1 PRO 534 HD2 -0.34 -0.02 -0.02 -0.04 3.68 3.27 2z81A1 PRO 534 HD3 -0.17 0.20 0.12 -0.04 3.65 3.76 2z81A1 TRP 535 H -0.11 0.50 0.01 -0.55 7.97 7.82 2z81A1 TRP 535 HA 0.04 0.09 0.36 -0.75 4.62 4.37 2z81A1 TRP 535 HB2 0.05 0.03 0.00 -0.04 3.23 3.26 2z81A1 TRP 535 HB3 0.05 -0.02 -0.17 -0.04 3.23 3.05 2z81A1 TRP 535 HD1 0.06 0.06 0.07 -0.04 7.22 7.37 2z81A1 TRP 535 HE1 0.07 0.26 0.04 -0.04 10.20 10.53 2z81A1 TRP 535 HE3 0.06 0.12 -0.52 -0.04 7.59 7.21 2z81A1 TRP 535 HZ2 0.08 0.06 -0.05 -0.04 7.44 7.48 2z81A1 TRP 535 HZ3 0.07 -0.06 -0.48 -0.04 7.13 6.62 2z81A1 TRP 535 HH2 0.13 -0.01 -0.18 -0.04 7.19 7.09 2z81A1 ASP 536 H 0.27 0.71 0.38 -0.55 8.40 9.22 2z81A1 ASP 536 HA 0.11 0.04 0.73 -0.75 4.63 4.75 2z81A1 ASP 536 HB2 0.08 0.06 0.19 -0.04 2.71 2.99 2z81A1 ASP 536 HB3 0.13 0.14 0.30 -0.04 2.70 3.22 2z81A1 CYS 537 H 0.11 0.21 0.15 -0.55 8.50 8.42 2z81A1 CYS 537 HA 0.09 0.19 0.63 -0.75 4.58 4.74 2z81A1 CYS 537 HB2 0.07 -0.00 0.09 -0.04 2.97 3.09 2z81A1 CYS 537 HB3 0.05 0.01 0.14 -0.04 2.97 3.13 2z81A1 SER 538 H 0.07 0.12 -0.49 -0.55 8.46 7.62 2z81A1 SER 538 HA 0.04 0.07 0.47 -0.75 4.49 4.31 2z81A1 SER 538 HB2 0.03 0.02 0.01 -0.04 3.95 3.98 2z81A1 SER 538 HB3 0.04 0.02 0.05 -0.04 3.93 4.01 2z81A1 CYS 539 H 0.03 0.15 0.17 -0.55 8.50 8.30 2z81A1 CYS 539 HA 0.03 0.02 0.36 -0.75 4.58 4.24 2z81A1 CYS 539 HB2 0.02 0.02 0.16 -0.04 2.97 3.14 2z81A1 CYS 539 HB3 0.02 0.06 -0.04 -0.04 2.97 2.97 2z81A1 PRO 540 HA 0.03 0.15 0.55 -0.51 4.44 4.66 2z81A1 PRO 540 HB2 0.02 0.02 0.10 -0.04 2.28 2.38 2z81A1 PRO 540 HB3 0.02 0.05 0.15 -0.04 2.02 2.20 2z81A1 PRO 540 HG2 0.02 0.05 0.04 -0.04 2.03 2.10 2z81A1 PRO 540 HG3 0.02 0.08 0.00 -0.04 2.03 2.09 2z81A1 PRO 540 HD2 0.03 0.08 -0.02 -0.04 3.68 3.72 2z81A1 PRO 540 HD3 0.02 0.04 0.12 -0.04 3.65 3.79 2z81A1 ARG 541 H 0.04 0.13 -0.95 -0.55 8.46 7.13 2z81A1 ARG 541 HA 0.05 0.10 0.66 -0.75 4.34 4.39 2z81A1 ARG 541 HB2 0.04 0.02 -0.33 -0.04 1.90 1.60 2z81A1 ARG 541 HB3 0.06 0.14 -0.03 -0.04 1.80 1.93 2z81A1 ARG 541 HG2 0.08 -0.04 -0.06 -0.04 1.67 1.61 2z81A1 ARG 541 HG3 0.05 -0.01 0.08 -0.04 1.67 1.76 2z81A1 ARG 541 HD2 0.05 -0.02 -0.03 -0.04 3.22 3.18 2z81A1 ARG 541 HD3 0.08 0.07 -0.00 -0.04 3.22 3.33 2z81A1 ILE 542 H 0.05 0.47 0.18 -0.55 8.25 8.41 2z81A1 ILE 542 HA 0.07 0.09 0.61 -0.75 4.18 4.19 2z81A1 ILE 542 HB 0.07 0.20 0.12 -0.04 1.89 2.24 2z81A1 ILE 542 HG12 0.02 0.03 -0.04 -0.04 1.49 1.46 2z81A1 ILE 542 HG13 -0.01 -0.18 0.12 -0.04 1.21 1.10 2z81A1 ILE 542 HG23 0.03 0.02 -0.29 -0.04 0.93 0.65 2z81A1 ILE 542 HD13 0.03 0.02 -0.12 -0.04 0.88 0.76 2z81A1 ASP 543 H 0.05 0.18 -0.31 -0.55 8.40 7.78 2z81A1 ASP 543 HA 0.03 0.07 0.32 -0.75 4.63 4.29 2z81A1 ASP 543 HB2 0.05 0.16 0.12 -0.04 2.71 2.99 2z81A1 ASP 543 HB3 0.07 -0.06 0.05 -0.04 2.70 2.72 2z81A1 TYR 544 H 0.17 0.18 -0.12 -0.55 8.29 7.97 2z81A1 TYR 544 HA 0.06 0.11 0.40 -0.75 4.56 4.37 2z81A1 TYR 544 HB2 0.02 0.04 0.11 -0.04 3.06 3.18 2z81A1 TYR 544 HB3 -0.00 0.06 0.08 -0.04 2.98 3.08 2z81A1 TYR 544 HD2 -0.01 0.11 -0.08 -0.04 7.15 7.13 2z81A1 TYR 544 HE2 -0.13 0.09 -0.05 -0.04 6.85 6.72 2z81A1 LEU 545 H 0.07 0.16 -0.19 -0.55 8.37 7.86 2z81A1 LEU 545 HA -0.18 0.01 0.35 -0.75 4.35 3.78 2z81A1 LEU 545 HB2 -0.03 -0.03 0.03 -0.04 1.64 1.57 2z81A1 LEU 545 HB3 -0.09 0.11 0.05 -0.04 1.64 1.67 2z81A1 LEU 545 HG -0.29 0.01 -0.31 -0.04 1.64 1.02 2z81A1 LEU 545 HD13 -0.03 -0.01 -0.06 -0.04 0.93 0.79 2z81A1 LEU 545 HD23 -0.93 0.00 -0.15 -0.04 0.89 -0.22 2z81A1 SER 546 H -0.04 0.61 -0.12 -0.55 8.46 8.36 2z81A1 SER 546 HA -0.07 -0.06 0.26 -0.75 4.49 3.87 2z81A1 SER 546 HB2 -0.03 0.24 0.06 -0.04 3.95 4.18 2z81A1 SER 546 HB3 -0.03 -0.05 0.06 -0.04 3.93 3.86 2z81A1 ARG 547 H -0.04 0.50 -0.15 -0.55 8.46 8.21 2z81A1 ARG 547 HA -0.05 0.07 0.42 -0.75 4.34 4.03 2z81A1 ARG 547 HB2 -0.02 0.05 0.16 -0.04 1.90 2.06 2z81A1 ARG 547 HB3 -0.01 -0.05 0.00 -0.04 1.80 1.70 2z81A1 ARG 547 HG2 -0.01 -0.01 0.04 -0.04 1.67 1.65 2z81A1 ARG 547 HG3 -0.00 0.07 0.10 -0.04 1.67 1.80 2z81A1 ARG 547 HD2 0.05 -0.06 -0.08 -0.04 3.22 3.09 2z81A1 ARG 547 HD3 0.03 -0.03 -0.01 -0.04 3.22 3.17 2z81A1 TRP 548 H -0.09 0.56 -0.13 -0.55 7.97 7.77 2z81A1 TRP 548 HA -0.17 0.05 0.43 -0.75 4.62 4.17 2z81A1 TRP 548 HB2 -0.77 -0.02 0.05 -0.04 3.23 2.45 2z81A1 TRP 548 HB3 -0.30 0.04 0.07 -0.04 3.23 3.01 2z81A1 TRP 548 HD1 0.05 -0.02 -0.09 -0.04 7.22 7.12 2z81A1 TRP 548 HE1 0.11 0.11 -0.27 -0.04 10.20 10.11 2z81A1 TRP 548 HE3 -0.22 0.03 -0.30 -0.04 7.59 7.05 2z81A1 TRP 548 HZ2 -0.03 0.16 -0.13 -0.04 7.44 7.40 2z81A1 TRP 548 HZ3 -0.38 -0.02 -0.16 -0.04 7.13 6.52 2z81A1 TRP 548 HH2 -0.26 0.04 -0.17 -0.04 7.19 6.76 2z81A1 LEU 549 H 0.06 0.62 -0.14 -0.55 8.37 8.36 2z81A1 LEU 549 HA -0.18 0.03 0.29 -0.75 4.35 3.74 2z81A1 LEU 549 HB2 -0.06 0.17 0.09 -0.04 1.64 1.80 2z81A1 LEU 549 HB3 -0.08 -0.07 -0.01 -0.04 1.64 1.43 2z81A1 LEU 549 HG 0.10 0.13 0.00 -0.04 1.64 1.83 2z81A1 LEU 549 HD13 -0.16 -0.04 -0.12 -0.04 0.93 0.56 2z81A1 LEU 549 HD23 0.07 -0.01 -0.06 -0.04 0.89 0.85 2z81A1 ASN 550 H -0.13 0.39 -0.38 -0.55 8.53 7.87 2z81A1 ASN 550 HA -0.13 0.02 0.50 -0.75 4.76 4.40 2z81A1 ASN 550 HB2 -0.09 0.10 0.15 -0.04 2.88 3.00 2z81A1 ASN 550 HB3 -0.09 -0.06 0.02 -0.04 2.79 2.62 2z81A1 ASN 550 HD21 -0.05 0.50 0.15 -0.04 7.03 7.58 2z81A1 ASN 550 HD22 -0.06 0.23 -0.00 -0.04 7.74 7.87 2z81A1 LYS 551 H -0.28 0.37 -0.25 -0.55 8.42 7.70 2z81A1 LYS 551 HA -0.19 0.11 0.77 -0.75 4.32 4.26 2z81A1 LYS 551 HB2 -0.32 0.07 0.11 -0.04 1.87 1.70 2z81A1 LYS 551 HB3 -0.21 -0.05 0.14 -0.04 1.79 1.63 2z81A1 LYS 551 HG2 -0.11 -0.03 0.00 -0.04 1.46 1.29 2z81A1 LYS 551 HG3 -0.12 0.12 0.02 -0.04 1.46 1.44 2z81A1 LYS 551 HD2 -0.06 -0.02 -0.03 -0.04 1.69 1.55 2z81A1 LYS 551 HD3 -0.07 -0.02 0.01 -0.04 1.68 1.57 2z81A1 LYS 551 HE2 -0.04 -0.01 -0.01 -0.04 2.99 2.89 2z81A1 LYS 551 HE3 -0.03 0.00 -0.02 -0.04 2.99 2.91 2z81A1 ASN 552 H -0.51 0.27 -0.41 -0.55 8.53 7.34 2z81A1 ASN 552 HA -0.42 0.16 0.83 -0.75 4.76 4.57 2z81A1 ASN 552 HB2 -1.94 0.07 -0.01 -0.04 2.88 0.96 2z81A1 ASN 552 HB3 -0.98 -0.08 0.13 -0.04 2.79 1.83 2z81A1 ASN 552 HD21 -0.85 -0.05 -0.14 -0.04 7.03 5.95 2z81A1 ASN 552 HD22 -1.69 0.41 -0.05 -0.04 7.74 6.37 2z81A1 SER 553 H -0.26 0.23 -0.15 -0.55 8.46 7.74 2z81A1 SER 553 HA -0.20 0.06 0.42 -0.75 4.49 4.01 2z81A1 SER 553 HB2 -0.13 -0.02 0.06 -0.04 3.95 3.82 2z81A1 SER 553 HB3 -0.15 0.09 0.14 -0.04 3.93 3.98 2z81A1 GLN 554 H -0.18 0.05 -0.31 -0.55 8.47 7.48 2z81A1 GLN 554 HA -0.12 0.04 0.39 -0.75 4.36 3.91 2z81A1 GLN 554 HB2 -0.10 0.03 0.03 -0.04 2.15 2.07 2z81A1 GLN 554 HB3 -0.11 -0.05 0.07 -0.04 2.02 1.89 2z81A1 GLN 554 HG2 -0.15 -0.03 0.00 -0.04 2.40 2.19 2z81A1 GLN 554 HG3 -0.16 -0.07 -0.01 -0.04 2.39 2.10 2z81A1 GLN 554 HE21 -0.06 0.01 0.01 -0.04 6.97 6.88 2z81A1 GLN 554 HE22 -0.09 -0.02 0.02 -0.04 7.69 7.55 2z81A1 LYS 555 H -0.21 0.18 -0.23 -0.55 8.42 7.61 2z81A1 LYS 555 HA -0.11 0.26 0.56 -0.75 4.32 4.28 2z81A1 LYS 555 HB2 -0.16 0.05 0.03 -0.04 1.87 1.75 2z81A1 LYS 555 HB3 0.03 -0.15 -0.19 -0.04 1.79 1.44 2z81A1 LYS 555 HG2 -0.05 0.18 -0.03 -0.04 1.46 1.53 2z81A1 LYS 555 HG3 -0.16 -0.13 0.02 -0.04 1.46 1.15 2z81A1 LYS 555 HD2 0.01 -0.09 -0.09 -0.04 1.69 1.48 2z81A1 LYS 555 HD3 0.14 -0.02 -0.29 -0.04 1.68 1.46 2z81A1 LYS 555 HE2 0.01 0.07 0.03 -0.04 2.99 3.06 2z81A1 LYS 555 HE3 -0.07 -0.11 -0.00 -0.04 2.99 2.77 2z81A1 GLU 556 H -0.18 0.26 -0.14 -0.55 8.60 7.99 2z81A1 GLU 556 HA -0.17 0.12 0.63 -0.75 4.29 4.11 2z81A1 GLU 556 HB2 -0.08 -0.06 0.07 -0.04 2.09 1.98 2z81A1 GLU 556 HB3 -0.13 0.08 0.13 -0.04 1.99 2.03 2z81A1 GLU 556 HG2 -0.11 0.18 -0.35 -0.04 2.34 2.01 2z81A1 GLU 556 HG3 -0.06 -0.12 -0.02 -0.04 2.34 2.09 2z81A1 GLN 557 H -0.46 0.54 0.42 -0.55 8.47 8.43 2z81A1 GLN 557 HA -0.42 0.15 0.84 -0.75 4.36 4.17 2z81A1 GLN 557 HB2 -2.34 -0.16 0.13 -0.04 2.15 -0.26 2z81A1 GLN 557 HB3 -1.15 -0.04 0.05 -0.04 2.02 0.84 2z81A1 GLN 557 HG2 -1.14 0.09 0.02 -0.04 2.40 1.33 2z81A1 GLN 557 HG3 -2.99 -0.09 -0.06 -0.04 2.39 -0.79 2z81A1 GLN 557 HE21 -0.24 0.03 0.00 -0.04 6.97 6.73 2z81A1 GLN 557 HE22 -0.43 -0.12 0.02 -0.04 7.69 7.12 2z81A1 GLY 558 H -0.16 0.18 0.14 -0.55 8.43 8.05 2z81A1 GLY 558 HA2 -0.08 0.04 0.34 -0.51 4.01 3.80 2z81A1 GLY 558 HA3 0.04 0.03 0.64 -0.51 4.01 4.21 2z81A1 SER 559 H 0.01 0.16 0.13 -0.55 8.46 8.21 2z81A1 SER 559 HA 0.00 0.22 0.91 -0.75 4.49 4.87 2z81A1 SER 559 HB2 -0.00 0.03 0.00 -0.04 3.95 3.94 2z81A1 SER 559 HB3 -0.02 0.07 -0.14 -0.04 3.93 3.79 2z81A1 ALA 560 H 0.03 0.19 0.05 -0.55 8.40 8.12 2z81A1 ALA 560 HA 0.30 -0.01 0.45 -0.75 4.34 4.33 2z81A1 ALA 560 HB3 -0.12 0.02 -0.03 -0.04 1.41 1.23 2z81A1 LYS 561 H 0.34 0.15 0.26 -0.55 8.42 8.62 2z81A1 LYS 561 HA 0.11 0.12 0.90 -0.75 4.32 4.69 2z81A1 LYS 561 HB2 0.13 -0.07 0.02 -0.04 1.87 1.91 2z81A1 LYS 561 HB3 0.09 0.06 -0.21 -0.04 1.79 1.69 2z81A1 LYS 561 HG2 0.06 0.03 -0.28 -0.04 1.46 1.23 2z81A1 LYS 561 HG3 0.09 0.06 -0.40 -0.04 1.46 1.18 2z81A1 LYS 561 HD2 0.07 -0.10 0.01 -0.04 1.69 1.63 2z81A1 LYS 561 HD3 0.05 0.15 -0.00 -0.04 1.68 1.83 2z81A1 LYS 561 HE2 0.02 0.03 -0.02 -0.04 2.99 2.98 2z81A1 LYS 561 HE3 0.03 -0.02 0.00 -0.04 2.99 2.96 2z81A1 CYS 562 H 0.10 0.81 0.09 -0.55 8.50 8.96 2z81A1 CYS 562 HA 0.22 0.13 0.51 -0.75 4.58 4.69 2z81A1 CYS 562 HB2 0.07 -0.21 0.06 -0.04 2.97 2.85 2z81A1 CYS 562 HB3 0.09 0.02 0.06 -0.04 2.97 3.09 2z81A1 SER 563 H 0.13 0.70 0.27 -0.55 8.46 9.02 2z81A1 SER 563 HA 0.05 0.05 0.44 -0.75 4.49 4.28 2z81A1 SER 563 HB2 0.02 -0.00 0.01 -0.04 3.95 3.94 2z81A1 SER 563 HB3 0.04 -0.01 -0.11 -0.04 3.93 3.81 2z81A1 GLY 564 H 0.03 0.19 0.11 -0.55 8.43 8.21 2z81A1 GLY 564 HA2 0.02 0.04 0.37 -0.51 4.01 3.93 2z81A1 GLY 564 HA3 0.03 0.13 0.70 -0.51 4.01 4.36 2z81A1 SER 565 H 0.04 0.27 -0.07 -0.55 8.46 8.16 2z81A1 SER 565 HA 0.02 0.10 0.39 -0.75 4.49 4.25 2z81A1 SER 565 HB2 0.03 0.03 0.04 -0.04 3.95 4.00 2z81A1 SER 565 HB3 0.03 0.03 0.09 -0.04 3.93 4.03 2z81A1 GLY 566 H 0.05 0.34 -0.37 -0.55 8.43 7.90 2z81A1 GLY 566 HA2 0.06 0.06 0.21 -0.51 4.01 3.82 2z81A1 GLY 566 HA3 0.04 0.11 0.43 -0.51 4.01 4.07 2z81A1 LYS 567 H 0.04 -0.06 -0.39 -0.55 8.42 7.46 2z81A1 LYS 567 HA 0.02 0.18 0.45 -0.75 4.32 4.21 2z81A1 LYS 567 HB2 0.02 0.02 -0.03 -0.04 1.87 1.84 2z81A1 LYS 567 HB3 0.03 -0.10 -0.03 -0.04 1.79 1.65 2z81A1 LYS 567 HG2 0.01 0.13 -0.15 -0.04 1.46 1.42 2z81A1 LYS 567 HG3 0.01 0.02 0.01 -0.04 1.46 1.46 2z81A1 LYS 567 HD2 0.01 -0.02 -0.05 -0.04 1.69 1.59 2z81A1 LYS 567 HD3 0.02 -0.05 -0.11 -0.04 1.68 1.50 2z81A1 LYS 567 HE2 0.00 0.00 -0.21 -0.04 2.99 2.75 2z81A1 LYS 567 HE3 0.00 0.00 -0.05 -0.04 2.99 2.90 2z81A1 PRO 568 HA 0.03 0.21 0.57 -0.51 4.44 4.74 2z81A1 PRO 568 HB2 -0.01 -0.08 0.08 -0.04 2.28 2.23 2z81A1 PRO 568 HB3 -0.01 0.05 0.08 -0.04 2.02 2.10 2z81A1 PRO 568 HG2 -0.00 0.05 0.07 -0.04 2.03 2.11 2z81A1 PRO 568 HG3 0.01 0.09 0.06 -0.04 2.03 2.16 2z81A1 PRO 568 HD2 0.00 0.08 0.19 -0.04 3.68 3.91 2z81A1 PRO 568 HD3 0.01 0.21 0.25 -0.04 3.65 4.08 2z81A1 VAL 569 H 0.01 0.65 0.21 -0.55 8.24 8.55 2z81A1 VAL 569 HA -0.01 0.04 0.27 -0.75 4.13 3.68 2z81A1 VAL 569 HB -0.14 -0.01 -0.02 -0.04 2.12 1.90 2z81A1 VAL 569 HG13 -0.18 0.00 -0.22 -0.04 0.97 0.53 2z81A1 VAL 569 HG23 -0.14 0.02 -0.42 -0.04 0.95 0.37 2z81A1 ARG 570 H -0.05 0.08 -0.23 -0.55 8.46 7.70 2z81A1 ARG 570 HA -0.06 0.15 0.37 -0.75 4.34 4.05 2z81A1 ARG 570 HB2 -0.07 0.07 -0.03 -0.04 1.90 1.83 2z81A1 ARG 570 HB3 -0.07 -0.03 -0.01 -0.04 1.80 1.65 2z81A1 ARG 570 HG2 -0.04 -0.12 -0.05 -0.04 1.67 1.42 2z81A1 ARG 570 HG3 -0.04 0.06 -0.24 -0.04 1.67 1.41 2z81A1 ARG 570 HD2 -0.06 0.05 -0.08 -0.04 3.22 3.09 2z81A1 ARG 570 HD3 -0.07 0.02 -0.03 -0.04 3.22 3.10 2z81A1 SER 571 H -0.02 0.35 -0.50 -0.55 8.46 7.74 2z81A1 SER 571 HA -0.02 0.08 0.43 -0.75 4.49 4.23 2z81A1 SER 571 HB2 -0.00 0.11 -0.01 -0.04 3.95 4.01 2z81A1 SER 571 HB3 -0.01 -0.05 0.05 -0.04 3.93 3.88 2z81A1 ILE 572 H -0.01 0.39 -0.33 -0.55 8.25 7.75 2z81A1 ILE 572 HA 0.00 0.01 0.49 -0.75 4.18 3.92 2z81A1 ILE 572 HB -0.00 0.07 0.07 -0.04 1.89 1.99 2z81A1 ILE 572 HG12 0.01 0.11 0.01 -0.04 1.49 1.57 2z81A1 ILE 572 HG13 0.02 -0.08 -0.00 -0.04 1.21 1.10 2z81A1 ILE 572 HG23 0.02 -0.02 -0.19 -0.04 0.93 0.69 2z81A1 ILE 572 HD13 0.02 -0.01 -0.10 -0.04 0.88 0.74 2z81A1 ILE 573 H 0.00 0.17 0.11 -0.55 8.25 7.98 2z81A1 ILE 573 HA -0.00 0.17 0.87 -0.75 4.18 4.46 2z81A1 ILE 573 HB -0.00 -0.04 0.11 -0.04 1.89 1.91 2z81A1 ILE 573 HG12 -0.01 0.08 -0.16 -0.04 1.49 1.36 2z81A1 ILE 573 HG13 -0.01 0.12 -0.50 -0.04 1.21 0.78 2z81A1 ILE 573 HG23 -0.00 -0.01 -0.19 -0.04 0.93 0.68 2z81A1 ILE 573 HD13 -0.01 -0.02 -0.06 -0.04 0.88 0.75 2z81A1 CYS 574 H 0.01 0.17 0.04 -0.55 8.50 8.17 2z81A1 CYS 574 HA 0.01 0.14 0.71 -0.75 4.58 4.69 2z81A1 CYS 574 HB2 0.02 -0.04 0.12 -0.04 2.97 3.03 2z81A1 CYS 574 HB3 0.02 0.10 -0.03 -0.04 2.97 3.02 2z81A1 PRO 575 HA 0.01 0.19 0.42 -0.51 4.44 4.56 2z81A1 PRO 575 HB2 0.01 0.02 0.06 -0.04 2.28 2.33 2z81A1 PRO 575 HB3 0.01 0.06 0.02 -0.04 2.02 2.06 2z81A1 PRO 575 HG2 0.01 0.00 0.08 -0.04 2.03 2.08 2z81A1 PRO 575 HG3 0.01 0.04 0.07 -0.04 2.03 2.11 2z81A1 PRO 575 HD2 0.01 0.01 0.21 -0.04 3.68 3.87 2z81A1 PRO 575 HD3 0.01 0.31 0.22 -0.04 3.65 4.15