REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3nlp_1_B DATA FIRST_RESID 299 DATA SEQUENCE RFLKVKNWET DVVLTDTLHL KSTLETGCTE HICMGSIVLP XXXXXXXXXV DATA SEQUENCE RTKDQLFPLA KEFLDQYYSS IKRFGSKAHM DRLEEVNKEI ESTSTYQLKD DATA SEQUENCE TELIYGAKHA WRNASRCVGR IQWSKLQVFD ARDCTTAHGM FNYICNHVKY DATA SEQUENCE ATNKGNLRSA ITIFPQRTDG KHDFRVWNSQ LIRYAGYKQP DGSTLGDPAN DATA SEQUENCE VQFTEICIQQ GWKAPRGRFD VLPLLLQANG NDPELFQIPP ELVLEVPIRH DATA SEQUENCE PKFDWFKDLG LKWYGLPAVS NMLLEIGGLE FSACPFSGWY MGTEIGVRNY DATA SEQUENCE CDNSRYNILE EVAKKMDLDM RKTSSLWKDQ ALVEINIAVL YSFQSDKVTI DATA SEQUENCE VDHHSATESF IKHMENEYRC RGGCPADWVW IVPPMSGSIT PVFHQEMLNY DATA SEQUENCE RLTPSFEYQP DPWNTHVWKG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 299 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 299 R C 0.000 176.040 176.300 -0.433 0.000 0.893 299 R CA 0.000 55.756 56.100 -0.574 0.000 0.921 299 R CB 0.000 30.176 30.300 -0.206 0.000 0.687 300 F N 4.618 124.620 119.950 0.086 0.000 2.404 300 F HA 0.521 5.050 4.527 0.004 0.000 0.339 300 F C 0.261 176.101 175.800 0.068 0.000 1.105 300 F CA -0.874 57.189 58.000 0.104 0.000 1.087 300 F CB 1.218 40.251 39.000 0.056 0.000 1.143 300 F HN 0.086 8.386 8.300 -0.000 0.000 0.491 301 L N 3.977 125.324 121.223 0.206 0.000 2.341 301 L HA 0.471 4.814 4.340 0.004 0.000 0.278 301 L C -0.448 176.488 176.870 0.110 0.000 1.005 301 L CA -0.865 54.005 54.840 0.050 0.000 0.818 301 L CB 1.883 43.825 42.059 -0.195 0.000 1.259 301 L HN 0.609 8.839 8.230 -0.000 0.000 0.418 302 K N 3.018 123.466 120.400 0.080 0.000 2.130 302 K HA 0.652 4.974 4.320 0.004 0.000 0.268 302 K C -0.869 175.761 176.600 0.051 0.000 0.983 302 K CA -0.702 55.623 56.287 0.064 0.000 0.893 302 K CB 2.416 34.934 32.500 0.030 0.000 1.066 302 K HN 0.390 8.640 8.250 -0.000 0.000 0.450 303 V N -0.865 119.063 119.914 0.024 0.000 2.735 303 V HA 0.571 4.694 4.120 0.004 0.000 0.310 303 V C -0.780 175.271 176.094 -0.072 0.000 1.061 303 V CA -1.016 61.292 62.300 0.013 0.000 0.913 303 V CB 1.687 33.533 31.823 0.038 0.000 1.005 303 V HN 0.788 8.978 8.190 -0.000 0.000 0.428 304 K N 3.088 123.447 120.400 -0.068 0.000 2.324 304 K HA 0.438 4.760 4.320 0.004 0.000 0.253 304 K C -0.935 175.567 176.600 -0.164 0.000 0.932 304 K CA -0.644 55.506 56.287 -0.228 0.000 0.799 304 K CB 1.860 34.076 32.500 -0.474 0.000 1.154 304 K HN 0.906 9.156 8.250 -0.000 0.000 0.425 305 N N 4.018 122.626 118.700 -0.154 0.000 2.419 305 N HA 0.075 4.817 4.740 0.004 0.000 0.264 305 N C -0.320 175.156 175.510 -0.057 0.000 1.031 305 N CA -0.240 52.813 53.050 0.005 0.000 0.951 305 N CB 0.470 38.976 38.487 0.032 0.000 1.101 305 N HN 0.678 9.058 8.380 -0.000 0.000 0.488 306 W N 2.218 123.597 121.300 0.132 0.000 3.180 306 W HA 0.151 4.813 4.660 0.003 0.000 0.254 306 W C 1.948 178.531 176.519 0.106 0.000 1.318 306 W CA -0.228 57.193 57.345 0.126 0.000 1.608 306 W CB 0.412 29.969 29.460 0.162 0.000 1.124 306 W HN 0.672 8.852 8.180 -0.000 0.000 0.694 307 E N -0.525 119.809 120.200 0.223 0.000 2.162 307 E HA -0.098 4.255 4.350 0.004 0.000 0.193 307 E C 2.070 178.686 176.600 0.027 0.000 0.953 307 E CA 1.612 58.048 56.400 0.060 0.000 0.849 307 E CB 0.184 29.845 29.700 -0.065 0.000 0.810 307 E HN 0.153 8.513 8.360 -0.000 0.000 0.470 308 T N -2.655 111.909 114.554 0.017 0.000 3.001 308 T HA 0.103 4.456 4.350 0.004 0.000 0.251 308 T C 0.302 174.971 174.700 -0.052 0.000 1.040 308 T CA 0.401 62.492 62.100 -0.015 0.000 0.985 308 T CB 0.278 69.138 68.868 -0.013 0.000 1.011 308 T HN 0.002 8.242 8.240 -0.000 0.000 0.509 309 D N 0.290 120.635 120.400 -0.093 0.000 3.059 309 D HA -0.124 4.519 4.640 0.004 0.000 0.213 309 D C -0.124 176.080 176.300 -0.161 0.000 1.144 309 D CA 0.538 54.436 54.000 -0.170 0.000 0.975 309 D CB -2.098 38.618 40.800 -0.140 0.000 1.125 309 D HN 0.462 8.832 8.370 -0.000 0.000 0.412 310 V N 0.933 120.774 119.914 -0.122 0.000 2.540 310 V HA 0.090 4.212 4.120 0.004 0.000 0.297 310 V C 0.962 176.962 176.094 -0.157 0.000 1.024 310 V CA 0.093 62.322 62.300 -0.119 0.000 1.105 310 V CB 1.373 33.139 31.823 -0.094 0.000 0.938 310 V HN -0.032 8.158 8.190 -0.000 0.000 0.482 311 V N 7.303 127.127 119.914 -0.150 0.000 2.417 311 V HA 0.484 4.606 4.120 0.004 0.000 0.291 311 V C -0.052 175.957 176.094 -0.143 0.000 1.024 311 V CA -0.465 61.743 62.300 -0.153 0.000 0.861 311 V CB 1.591 33.333 31.823 -0.135 0.000 0.985 311 V HN 0.625 8.815 8.190 -0.000 0.000 0.436 312 L N 3.667 124.778 121.223 -0.185 0.000 2.334 312 L HA 0.658 5.000 4.340 0.004 0.000 0.273 312 L C 0.039 176.909 176.870 0.000 0.000 1.013 312 L CA -0.434 54.282 54.840 -0.206 0.000 0.816 312 L CB 2.330 43.969 42.059 -0.700 0.000 1.278 312 L HN 0.523 8.753 8.230 -0.000 0.000 0.431 313 T N 0.289 114.939 114.554 0.161 0.000 2.772 313 T HA 0.175 4.527 4.350 0.004 0.000 0.288 313 T C -0.632 174.279 174.700 0.352 0.000 0.994 313 T CA -0.457 61.773 62.100 0.217 0.000 0.951 313 T CB 1.062 69.981 68.868 0.086 0.000 0.933 313 T HN 0.411 8.651 8.240 -0.000 0.000 0.447 314 D N 2.560 123.170 120.400 0.350 0.000 2.280 314 D HA 0.185 4.827 4.640 0.004 0.000 0.243 314 D C 0.922 177.405 176.300 0.304 0.000 1.129 314 D CA -0.228 53.913 54.000 0.236 0.000 0.848 314 D CB 1.478 42.406 40.800 0.212 0.000 1.107 314 D HN 0.612 8.982 8.370 -0.000 0.000 0.471 315 T N 1.037 115.698 114.554 0.178 0.000 2.971 315 T HA -0.023 4.329 4.350 0.004 0.000 0.252 315 T C 1.834 176.447 174.700 -0.146 0.000 1.022 315 T CA -0.260 61.891 62.100 0.084 0.000 0.980 315 T CB 0.156 69.095 68.868 0.118 0.000 1.044 315 T HN 0.246 8.486 8.240 -0.000 0.000 0.501 316 L N 3.008 124.178 121.223 -0.087 0.000 2.141 316 L HA -0.051 4.291 4.340 0.004 0.000 0.209 316 L C 2.631 179.319 176.870 -0.302 0.000 1.094 316 L CA 1.738 56.503 54.840 -0.124 0.000 0.763 316 L CB -0.782 41.276 42.059 -0.002 0.000 0.908 316 L HN 0.546 8.776 8.230 -0.000 0.000 0.437 317 H N -1.057 117.648 119.070 -0.609 0.000 2.489 317 H HA -0.168 4.391 4.556 0.004 0.000 0.295 317 H C 1.939 176.983 175.328 -0.474 0.000 1.082 317 H CA 1.505 56.896 56.048 -1.096 0.000 1.295 317 H CB -0.824 28.285 29.762 -1.089 0.000 1.380 317 H HN 0.430 8.710 8.280 -0.000 0.000 0.548 318 L N 0.469 121.114 121.223 -0.962 0.000 2.265 318 L HA -0.121 4.222 4.340 0.004 0.000 0.215 318 L C 1.953 178.649 176.870 -0.290 0.000 1.117 318 L CA 1.084 55.575 54.840 -0.583 0.000 0.782 318 L CB -0.220 41.540 42.059 -0.498 0.000 0.914 318 L HN 0.125 8.355 8.230 -0.000 0.000 0.441 319 K N -0.360 119.905 120.400 -0.226 0.000 2.444 319 K HA 0.104 4.427 4.320 0.004 0.000 0.193 319 K C 0.784 177.351 176.600 -0.055 0.000 1.024 319 K CA 0.082 56.304 56.287 -0.108 0.000 1.077 319 K CB 0.221 32.681 32.500 -0.067 0.000 0.833 319 K HN 0.052 8.302 8.250 -0.000 0.000 0.517 320 S N 1.543 117.197 115.700 -0.076 0.000 2.505 320 S HA 0.091 4.564 4.470 0.004 0.000 0.276 320 S C 1.177 175.782 174.600 0.009 0.000 1.274 320 S CA -0.214 57.996 58.200 0.015 0.000 1.053 320 S CB 0.645 63.874 63.200 0.048 0.000 0.919 320 S HN 0.416 8.726 8.310 -0.000 0.000 0.490 321 T N 4.508 119.080 114.554 0.029 0.000 2.980 321 T HA 0.269 4.622 4.350 0.004 0.000 0.239 321 T C 1.004 175.719 174.700 0.025 0.000 1.011 321 T CA -0.115 61.997 62.100 0.019 0.000 1.171 321 T CB -0.593 68.286 68.868 0.018 0.000 0.873 321 T HN 0.514 8.754 8.240 -0.000 0.000 0.431 322 L N 1.761 123.003 121.223 0.031 0.000 2.479 322 L HA 0.292 4.635 4.340 0.004 0.000 0.270 322 L C 0.594 177.487 176.870 0.037 0.000 1.236 322 L CA -0.200 54.657 54.840 0.028 0.000 0.823 322 L CB 0.142 42.212 42.059 0.019 0.000 1.098 322 L HN 0.335 8.565 8.230 -0.000 0.000 0.500 323 E N -0.754 119.465 120.200 0.032 0.000 2.250 323 E HA 0.175 4.527 4.350 0.004 0.000 0.265 323 E C 0.351 176.975 176.600 0.040 0.000 1.033 323 E CA -0.024 56.399 56.400 0.037 0.000 0.888 323 E CB 1.450 31.168 29.700 0.031 0.000 1.151 323 E HN 0.719 9.079 8.360 -0.000 0.000 0.412 324 T N -2.010 112.572 114.554 0.047 0.000 3.037 324 T HA 0.238 4.591 4.350 0.004 0.000 0.252 324 T C 1.360 176.087 174.700 0.045 0.000 1.073 324 T CA 0.471 62.600 62.100 0.049 0.000 1.091 324 T CB 0.273 69.178 68.868 0.062 0.000 0.935 324 T HN 0.769 9.009 8.240 -0.000 0.000 0.488 325 G N 0.480 109.306 108.800 0.043 0.000 2.279 325 G HA2 -0.246 3.717 3.960 0.004 0.000 0.223 325 G HA3 -0.246 3.717 3.960 0.004 0.000 0.223 325 G C 0.330 175.258 174.900 0.045 0.000 1.015 325 G CA -0.182 44.945 45.100 0.044 0.000 0.621 325 G HN 0.745 9.035 8.290 -0.000 0.000 0.506 326 C N 1.757 121.084 119.300 0.046 0.000 2.443 326 C HA 0.856 5.319 4.460 0.004 0.000 0.369 326 C C 1.083 176.098 174.990 0.041 0.000 1.241 326 C CA 0.608 59.651 59.018 0.042 0.000 2.413 326 C CB 0.918 28.681 27.740 0.038 0.000 2.451 326 C HN 1.019 9.249 8.230 -0.000 0.000 0.595 327 T N -1.315 113.264 114.554 0.042 0.000 2.831 327 T HA 0.391 4.744 4.350 0.004 0.000 0.287 327 T C 0.352 175.054 174.700 0.004 0.000 1.070 327 T CA -0.487 61.639 62.100 0.044 0.000 1.010 327 T CB 0.973 69.894 68.868 0.089 0.000 1.264 327 T HN 0.523 8.763 8.240 -0.000 0.000 0.532 328 E N -0.366 119.809 120.200 -0.042 0.000 2.333 328 E HA -0.006 4.347 4.350 0.004 0.000 0.198 328 E C 1.016 177.405 176.600 -0.352 0.000 1.007 328 E CA 1.342 57.616 56.400 -0.210 0.000 0.845 328 E CB -0.361 29.159 29.700 -0.300 0.000 0.766 328 E HN 0.772 9.132 8.360 -0.000 0.000 0.507 329 H N -1.442 117.631 119.070 0.006 0.000 2.827 329 H HA 0.457 5.015 4.556 0.004 0.000 0.269 329 H C -0.268 175.063 175.328 0.006 0.000 1.031 329 H CA -0.134 55.917 56.048 0.005 0.000 1.202 329 H CB 1.161 30.926 29.762 0.005 0.000 1.511 329 H HN -0.009 8.271 8.280 -0.000 0.000 0.517 330 I N 0.249 120.873 120.570 0.089 0.000 2.680 330 I HA 0.229 4.401 4.170 0.004 0.000 0.291 330 I C -1.431 174.708 176.117 0.037 0.000 1.244 330 I CA -0.913 60.422 61.300 0.059 0.000 1.042 330 I CB 1.542 39.581 38.000 0.065 0.000 1.277 330 I HN 0.091 8.301 8.210 -0.000 0.000 0.423 331 C N 7.877 127.193 119.300 0.027 0.000 2.273 331 C HA 0.534 4.996 4.460 0.004 0.000 0.328 331 C C 0.825 175.836 174.990 0.036 0.000 1.275 331 C CA -0.525 58.508 59.018 0.025 0.000 1.704 331 C CB 0.354 28.099 27.740 0.008 0.000 2.326 331 C HN 0.803 9.034 8.230 -0.000 0.000 0.517 332 M N 4.926 124.553 119.600 0.046 0.000 2.655 332 M HA 0.189 4.671 4.480 0.004 0.000 0.311 332 M C 1.800 178.146 176.300 0.076 0.000 1.229 332 M CA 0.074 55.410 55.300 0.058 0.000 0.972 332 M CB -0.147 32.487 32.600 0.058 0.000 1.366 332 M HN 0.994 9.284 8.290 -0.000 0.000 0.500 333 G N 1.385 110.229 108.800 0.073 0.000 2.485 333 G HA2 -0.215 3.747 3.960 0.004 0.000 0.221 333 G HA3 -0.215 3.747 3.960 0.004 0.000 0.221 333 G C 1.417 176.405 174.900 0.148 0.000 1.115 333 G CA 1.490 46.649 45.100 0.099 0.000 0.751 333 G HN 0.588 8.878 8.290 -0.000 0.000 0.567 334 S N -0.385 115.393 115.700 0.130 0.000 2.554 334 S HA 0.378 4.850 4.470 0.004 0.000 0.226 334 S C 0.559 175.258 174.600 0.165 0.000 0.980 334 S CA -0.678 57.620 58.200 0.162 0.000 0.939 334 S CB 0.144 63.411 63.200 0.112 0.000 0.832 334 S HN 0.009 8.319 8.310 -0.000 0.000 0.486 335 I N 2.685 123.343 120.570 0.145 0.000 2.471 335 I HA 0.157 4.330 4.170 0.004 0.000 0.286 335 I C 1.667 177.898 176.117 0.190 0.000 1.079 335 I CA -0.222 61.160 61.300 0.136 0.000 1.398 335 I CB 0.648 38.706 38.000 0.098 0.000 1.403 335 I HN 0.018 8.228 8.210 -0.000 0.000 0.530 336 V N 7.342 127.379 119.914 0.204 0.000 2.295 336 V HA -0.160 3.963 4.120 0.004 0.000 0.246 336 V C 0.980 177.193 176.094 0.198 0.000 1.049 336 V CA 1.518 63.983 62.300 0.275 0.000 1.024 336 V CB -0.399 31.573 31.823 0.249 0.000 0.648 336 V HN 0.590 8.780 8.190 -0.000 0.000 0.447 337 L N 2.045 123.342 121.223 0.124 0.000 2.384 337 L HA 0.505 4.848 4.340 0.004 0.000 0.261 337 L C -2.216 174.710 176.870 0.093 0.000 1.024 337 L CA -1.196 53.717 54.840 0.121 0.000 0.899 337 L CB 0.533 42.624 42.059 0.053 0.000 1.243 337 L HN 0.156 8.386 8.230 -0.000 0.000 0.449 349 R N 2.810 123.310 120.500 0.000 0.000 2.532 349 R HA 0.771 5.113 4.340 0.004 0.000 0.295 349 R C 0.190 176.502 176.300 0.019 0.000 0.968 349 R CA 0.080 56.185 56.100 0.008 0.000 0.916 349 R CB 2.011 32.314 30.300 0.005 0.000 1.124 349 R HN 0.815 9.085 8.270 -0.000 0.000 0.463 350 T N -0.777 113.792 114.554 0.025 0.000 2.934 350 T HA 0.225 4.577 4.350 0.004 0.000 0.283 350 T C 1.022 175.749 174.700 0.045 0.000 1.005 350 T CA -0.851 61.267 62.100 0.030 0.000 1.041 350 T CB 1.479 70.361 68.868 0.024 0.000 1.042 350 T HN 0.509 8.749 8.240 -0.000 0.000 0.505 351 K N 0.589 121.017 120.400 0.047 0.000 2.127 351 K HA -0.224 4.098 4.320 0.004 0.000 0.208 351 K C 1.804 178.448 176.600 0.072 0.000 1.047 351 K CA 2.011 58.334 56.287 0.062 0.000 0.927 351 K CB -0.400 32.124 32.500 0.040 0.000 0.716 351 K HN 0.816 9.066 8.250 -0.000 0.000 0.450 352 D N 1.399 121.830 120.400 0.052 0.000 2.127 352 D HA -0.231 4.412 4.640 0.004 0.000 0.190 352 D C 2.086 178.427 176.300 0.068 0.000 1.000 352 D CA 2.067 56.099 54.000 0.052 0.000 0.839 352 D CB -0.041 40.779 40.800 0.035 0.000 0.955 352 D HN 0.357 8.727 8.370 -0.000 0.000 0.446 353 Q N -0.554 119.281 119.800 0.057 0.000 2.230 353 Q HA -0.096 4.247 4.340 0.004 0.000 0.202 353 Q C 2.342 178.383 176.000 0.068 0.000 0.963 353 Q CA 0.608 56.443 55.803 0.054 0.000 0.866 353 Q CB -0.404 28.356 28.738 0.037 0.000 0.931 353 Q HN 0.366 8.636 8.270 -0.000 0.000 0.452 354 L N 0.406 121.683 121.223 0.091 0.000 2.056 354 L HA -0.031 4.312 4.340 0.004 0.000 0.207 354 L C 2.147 179.088 176.870 0.118 0.000 1.078 354 L CA 1.423 56.331 54.840 0.113 0.000 0.749 354 L CB -0.715 41.429 42.059 0.141 0.000 0.901 354 L HN 0.132 8.362 8.230 -0.000 0.000 0.433 355 F N 1.590 121.544 119.950 0.007 0.000 2.102 355 F HA -0.072 4.457 4.527 0.004 0.000 0.298 355 F C -0.511 175.284 175.800 -0.010 0.000 1.105 355 F CA 1.473 59.456 58.000 -0.027 0.000 1.239 355 F CB -1.558 37.416 39.000 -0.042 0.000 0.991 355 F HN 0.174 8.474 8.300 -0.000 0.000 0.474 356 P HA -0.189 4.231 4.420 -0.000 0.000 0.216 356 P C 2.060 179.284 177.300 -0.127 0.000 1.150 356 P CA 1.702 64.735 63.100 -0.112 0.000 0.837 356 P CB -0.238 31.465 31.700 0.005 0.000 0.786 357 L N -0.847 120.337 121.223 -0.064 0.000 2.093 357 L HA -0.091 4.251 4.340 0.004 0.000 0.208 357 L C 2.739 179.613 176.870 0.007 0.000 1.085 357 L CA 1.446 56.284 54.840 -0.004 0.000 0.755 357 L CB -1.176 40.901 42.059 0.030 0.000 0.904 357 L HN -0.061 8.169 8.230 -0.000 0.000 0.435 358 A N 0.331 123.089 122.820 -0.103 0.000 1.873 358 A HA -0.237 4.086 4.320 0.004 0.000 0.215 358 A C 2.402 179.874 177.584 -0.187 0.000 1.186 358 A CA 1.869 53.827 52.037 -0.130 0.000 0.616 358 A CB -0.428 18.266 19.000 -0.510 0.000 0.823 358 A HN 0.311 8.461 8.150 -0.000 0.000 0.442 359 K N -0.143 119.957 120.400 -0.500 0.000 2.032 359 K HA -0.215 4.107 4.320 0.004 0.000 0.209 359 K C 1.960 178.506 176.600 -0.090 0.000 1.048 359 K CA 1.790 57.836 56.287 -0.401 0.000 0.927 359 K CB -0.239 31.907 32.500 -0.590 0.000 0.712 359 K HN 0.605 8.855 8.250 -0.000 0.000 0.441 360 E N -0.247 119.932 120.200 -0.035 0.000 2.049 360 E HA -0.233 4.120 4.350 0.004 0.000 0.198 360 E C 1.889 178.557 176.600 0.114 0.000 1.007 360 E CA 1.655 58.087 56.400 0.054 0.000 0.809 360 E CB -0.294 29.445 29.700 0.064 0.000 0.749 360 E HN 0.332 8.692 8.360 -0.000 0.000 0.450 361 F N 1.553 121.520 119.950 0.028 0.000 2.065 361 F HA -0.242 4.287 4.527 0.004 0.000 0.298 361 F C 1.975 177.841 175.800 0.110 0.000 1.112 361 F CA 1.559 59.608 58.000 0.080 0.000 1.212 361 F CB -0.347 38.711 39.000 0.097 0.000 0.975 361 F HN -0.067 8.233 8.300 -0.000 0.000 0.476 362 L N -0.222 120.933 121.223 -0.114 0.000 2.141 362 L HA -0.187 4.155 4.340 0.004 0.000 0.209 362 L C 2.160 179.039 176.870 0.016 0.000 1.094 362 L CA 1.230 56.023 54.840 -0.077 0.000 0.763 362 L CB -0.917 41.230 42.059 0.146 0.000 0.908 362 L HN 0.077 8.307 8.230 -0.000 0.000 0.437 363 D N 0.006 120.457 120.400 0.085 0.000 2.123 363 D HA -0.212 4.430 4.640 0.004 0.000 0.196 363 D C 2.303 178.633 176.300 0.049 0.000 0.992 363 D CA 1.210 55.315 54.000 0.175 0.000 0.833 363 D CB -0.114 40.873 40.800 0.311 0.000 0.954 363 D HN 0.367 8.737 8.370 -0.000 0.000 0.455 364 Q N -0.948 118.814 119.800 -0.062 0.000 2.050 364 Q HA -0.185 4.157 4.340 0.004 0.000 0.202 364 Q C 2.078 177.871 176.000 -0.345 0.000 0.980 364 Q CA 1.086 56.813 55.803 -0.128 0.000 0.840 364 Q CB -0.238 28.470 28.738 -0.050 0.000 0.898 364 Q HN 0.377 8.647 8.270 -0.000 0.000 0.424 365 Y N 0.058 119.897 120.300 -0.768 0.000 2.097 365 Y HA -0.332 4.220 4.550 0.004 0.000 0.282 365 Y C 1.776 177.218 175.900 -0.763 0.000 1.152 365 Y CA 1.776 59.166 58.100 -1.183 0.000 1.136 365 Y CB -0.589 37.119 38.460 -1.253 0.000 0.975 365 Y HN 0.114 8.394 8.280 -0.000 0.000 0.498 366 Y N -0.269 119.623 120.300 -0.679 0.000 2.224 366 Y HA -0.222 4.330 4.550 0.004 0.000 0.289 366 Y C 2.906 178.548 175.900 -0.429 0.000 1.146 366 Y CA 1.773 59.465 58.100 -0.679 0.000 1.182 366 Y CB -0.788 37.142 38.460 -0.884 0.000 0.983 366 Y HN 0.099 8.379 8.280 -0.000 0.000 0.524 367 S N -0.358 115.267 115.700 -0.126 0.000 2.368 367 S HA -0.289 4.183 4.470 0.004 0.000 0.226 367 S C 2.336 176.829 174.600 -0.179 0.000 1.044 367 S CA 1.902 60.042 58.200 -0.100 0.000 1.062 367 S CB -0.738 62.386 63.200 -0.128 0.000 0.931 367 S HN 0.682 8.992 8.310 -0.000 0.000 0.440 368 S N 2.317 117.858 115.700 -0.265 0.000 2.368 368 S HA -0.082 4.391 4.470 0.004 0.000 0.225 368 S C 1.825 176.291 174.600 -0.224 0.000 1.030 368 S CA 1.251 59.342 58.200 -0.182 0.000 0.999 368 S CB -0.941 62.194 63.200 -0.108 0.000 0.844 368 S HN 0.727 9.037 8.310 -0.000 0.000 0.459 369 I N -1.380 118.928 120.570 -0.437 0.000 3.550 369 I HA 0.253 4.426 4.170 0.004 0.000 0.295 369 I C 0.227 176.212 176.117 -0.220 0.000 1.291 369 I CA 0.111 61.189 61.300 -0.371 0.000 1.298 369 I CB -0.746 36.892 38.000 -0.603 0.000 1.026 369 I HN 0.092 8.302 8.210 -0.000 0.000 0.491 370 K N 1.378 121.681 120.400 -0.161 0.000 3.071 370 K HA -0.152 4.170 4.320 0.004 0.000 0.265 370 K C -0.061 176.521 176.600 -0.031 0.000 1.060 370 K CA 0.418 56.662 56.287 -0.072 0.000 0.767 370 K CB -1.021 31.448 32.500 -0.051 0.000 1.241 370 K HN 0.506 8.756 8.250 -0.000 0.000 0.486 371 R N 0.102 120.586 120.500 -0.027 0.000 2.662 371 R HA 0.154 4.497 4.340 0.004 0.000 0.396 371 R C -0.159 176.213 176.300 0.120 0.000 1.096 371 R CA -0.356 55.785 56.100 0.068 0.000 1.081 371 R CB -0.150 30.225 30.300 0.124 0.000 1.382 371 R HN 0.166 8.436 8.270 -0.000 0.000 0.580 372 F N 1.092 121.019 119.950 -0.038 0.000 2.541 372 F HA 0.290 4.820 4.527 0.004 0.000 0.378 372 F C 1.375 177.235 175.800 0.101 0.000 1.068 372 F CA 1.554 59.542 58.000 -0.020 0.000 1.199 372 F CB 0.679 39.648 39.000 -0.052 0.000 1.091 372 F HN 0.524 8.824 8.300 -0.000 0.000 0.555 373 G N 3.022 111.705 108.800 -0.196 0.000 2.195 373 G HA2 -0.285 3.678 3.960 0.004 0.000 0.246 373 G HA3 -0.285 3.678 3.960 0.004 0.000 0.246 373 G C 0.291 175.128 174.900 -0.106 0.000 0.984 373 G CA 0.152 45.125 45.100 -0.211 0.000 0.633 373 G HN 1.152 9.442 8.290 -0.000 0.000 0.525 374 S N -0.023 115.656 115.700 -0.036 0.000 2.576 374 S HA 0.399 4.871 4.470 0.004 0.000 0.272 374 S C 1.380 175.931 174.600 -0.082 0.000 1.352 374 S CA 0.723 58.907 58.200 -0.028 0.000 1.021 374 S CB 1.690 64.907 63.200 0.028 0.000 0.887 374 S HN 0.525 8.835 8.310 -0.000 0.000 0.542 375 K N 1.046 121.411 120.400 -0.059 0.000 2.113 375 K HA -0.196 4.126 4.320 0.004 0.000 0.208 375 K C 2.153 178.705 176.600 -0.080 0.000 1.047 375 K CA 1.488 57.732 56.287 -0.072 0.000 0.928 375 K CB -0.832 31.643 32.500 -0.042 0.000 0.716 375 K HN 0.800 9.050 8.250 -0.000 0.000 0.446 376 A N 0.177 122.975 122.820 -0.036 0.000 1.969 376 A HA -0.189 4.133 4.320 0.004 0.000 0.218 376 A C 1.989 179.462 177.584 -0.186 0.000 1.169 376 A CA 1.476 53.511 52.037 -0.004 0.000 0.635 376 A CB -0.747 18.335 19.000 0.137 0.000 0.810 376 A HN 0.596 8.746 8.150 -0.000 0.000 0.445 377 H N -1.154 117.575 119.070 -0.567 0.000 2.299 377 H HA -0.106 4.452 4.556 0.004 0.000 0.302 377 H C 1.985 176.943 175.328 -0.616 0.000 1.078 377 H CA 1.493 56.859 56.048 -1.138 0.000 1.323 377 H CB -0.054 29.149 29.762 -0.932 0.000 1.381 377 H HN 0.305 8.585 8.280 -0.000 0.000 0.498 378 M N 1.002 120.317 119.600 -0.474 0.000 2.117 378 M HA -0.152 4.331 4.480 0.004 0.000 0.262 378 M C 1.694 177.848 176.300 -0.242 0.000 1.065 378 M CA 1.212 56.267 55.300 -0.408 0.000 1.114 378 M CB -0.899 31.524 32.600 -0.296 0.000 1.361 378 M HN 0.319 8.609 8.290 -0.000 0.000 0.408 379 D N -0.283 120.016 120.400 -0.168 0.000 2.123 379 D HA -0.165 4.477 4.640 0.004 0.000 0.196 379 D C 2.109 178.371 176.300 -0.063 0.000 0.992 379 D CA 1.170 55.115 54.000 -0.092 0.000 0.833 379 D CB -0.291 40.479 40.800 -0.050 0.000 0.954 379 D HN 0.178 8.548 8.370 -0.000 0.000 0.455 380 R N 0.699 121.155 120.500 -0.074 0.000 2.066 380 R HA 0.000 4.343 4.340 0.004 0.000 0.232 380 R C 2.300 178.606 176.300 0.010 0.000 1.131 380 R CA 0.889 56.996 56.100 0.012 0.000 0.955 380 R CB -0.846 29.518 30.300 0.108 0.000 0.851 380 R HN 0.160 8.430 8.270 -0.000 0.000 0.432 381 L N 0.450 121.641 121.223 -0.053 0.000 1.997 381 L HA -0.270 4.073 4.340 0.004 0.000 0.216 381 L C 2.625 179.544 176.870 0.081 0.000 1.074 381 L CA 2.294 57.142 54.840 0.014 0.000 0.763 381 L CB -0.654 41.352 42.059 -0.089 0.000 0.890 381 L HN 0.461 8.691 8.230 -0.000 0.000 0.434 382 E N -0.015 120.176 120.200 -0.016 0.000 2.077 382 E HA -0.289 4.064 4.350 0.004 0.000 0.193 382 E C 2.103 178.687 176.600 -0.025 0.000 0.989 382 E CA 1.434 57.809 56.400 -0.041 0.000 0.800 382 E CB 0.010 29.668 29.700 -0.069 0.000 0.746 382 E HN 0.476 8.836 8.360 -0.000 0.000 0.452 383 E N 0.068 120.267 120.200 -0.002 0.000 2.077 383 E HA -0.180 4.172 4.350 0.004 0.000 0.193 383 E C 2.097 178.720 176.600 0.039 0.000 0.989 383 E CA 1.386 57.797 56.400 0.018 0.000 0.800 383 E CB 0.080 29.802 29.700 0.036 0.000 0.746 383 E HN 0.156 8.516 8.360 -0.000 0.000 0.452 384 V N 1.945 121.892 119.914 0.054 0.000 2.295 384 V HA -0.291 3.832 4.120 0.004 0.000 0.246 384 V C 2.461 178.593 176.094 0.063 0.000 1.049 384 V CA 2.116 64.431 62.300 0.026 0.000 1.024 384 V CB -0.921 30.833 31.823 -0.116 0.000 0.648 384 V HN 0.454 8.644 8.190 -0.000 0.000 0.447 385 N N -0.004 118.761 118.700 0.108 0.000 2.036 385 N HA -0.277 4.466 4.740 0.004 0.000 0.195 385 N C 1.978 177.386 175.510 -0.169 0.000 1.037 385 N CA 1.851 54.756 53.050 -0.241 0.000 0.855 385 N CB -0.071 38.072 38.487 -0.574 0.000 1.033 385 N HN 0.457 8.837 8.380 -0.000 0.000 0.423 386 K N 0.621 120.960 120.400 -0.101 0.000 2.097 386 K HA -0.163 4.160 4.320 0.004 0.000 0.206 386 K C 2.000 178.588 176.600 -0.020 0.000 1.049 386 K CA 1.135 57.383 56.287 -0.067 0.000 0.933 386 K CB -0.093 32.380 32.500 -0.046 0.000 0.717 386 K HN 0.329 8.579 8.250 -0.000 0.000 0.442 387 E N 0.917 121.128 120.200 0.019 0.000 2.106 387 E HA -0.156 4.197 4.350 0.004 0.000 0.192 387 E C 1.931 178.576 176.600 0.075 0.000 0.984 387 E CA 0.702 57.138 56.400 0.060 0.000 0.806 387 E CB 0.059 29.823 29.700 0.108 0.000 0.750 387 E HN 0.231 8.591 8.360 -0.000 0.000 0.458 388 I N 1.704 122.321 120.570 0.077 0.000 2.127 388 I HA -0.323 3.849 4.170 0.004 0.000 0.241 388 I C 2.622 178.761 176.117 0.037 0.000 1.075 388 I CA 1.938 63.292 61.300 0.091 0.000 1.334 388 I CB -0.471 37.601 38.000 0.121 0.000 1.040 388 I HN 0.270 8.480 8.210 -0.000 0.000 0.405 389 E N 0.315 120.506 120.200 -0.015 0.000 2.118 389 E HA -0.255 4.097 4.350 0.004 0.000 0.195 389 E C 2.147 178.741 176.600 -0.010 0.000 0.992 389 E CA 1.770 58.153 56.400 -0.028 0.000 0.804 389 E CB -0.359 29.301 29.700 -0.067 0.000 0.741 389 E HN 0.368 8.728 8.360 -0.000 0.000 0.458 390 S N -0.024 115.674 115.700 -0.003 0.000 2.395 390 S HA -0.090 4.382 4.470 0.004 0.000 0.225 390 S C 2.106 176.713 174.600 0.013 0.000 1.027 390 S CA 1.617 59.818 58.200 0.003 0.000 0.965 390 S CB -0.268 62.934 63.200 0.004 0.000 0.812 390 S HN 0.578 8.888 8.310 -0.000 0.000 0.482 391 T N -3.862 110.708 114.554 0.027 0.000 2.975 391 T HA 0.396 4.749 4.350 0.004 0.000 0.261 391 T C 0.779 175.499 174.700 0.033 0.000 0.984 391 T CA 0.876 62.993 62.100 0.029 0.000 0.911 391 T CB 0.123 69.014 68.868 0.038 0.000 1.127 391 T HN 0.310 8.550 8.240 -0.000 0.000 0.514 392 S N -0.594 115.133 115.700 0.045 0.000 2.372 392 S HA -0.120 4.352 4.470 0.004 0.000 0.257 392 S C 0.251 174.896 174.600 0.074 0.000 1.282 392 S CA 1.293 59.522 58.200 0.048 0.000 1.305 392 S CB -1.844 61.373 63.200 0.028 0.000 1.614 392 S HN 1.017 9.327 8.310 -0.000 0.000 0.631 393 T N -0.529 114.084 114.554 0.098 0.000 2.647 393 T HA 0.751 5.103 4.350 0.004 0.000 0.295 393 T C -1.875 172.975 174.700 0.249 0.000 1.126 393 T CA 0.039 62.212 62.100 0.123 0.000 1.040 393 T CB 1.525 70.399 68.868 0.011 0.000 1.472 393 T HN 0.672 8.912 8.240 -0.000 0.000 0.500 394 Y N -0.716 119.593 120.300 0.016 0.000 2.670 394 Y HA 0.804 5.356 4.550 0.004 0.000 0.334 394 Y C -1.414 174.504 175.900 0.031 0.000 1.185 394 Y CA -1.287 56.835 58.100 0.037 0.000 1.053 394 Y CB 0.997 39.501 38.460 0.073 0.000 1.298 394 Y HN 0.347 8.627 8.280 -0.000 0.000 0.459 395 Q N 2.200 122.025 119.800 0.043 0.000 2.282 395 Q HA 0.470 4.812 4.340 0.004 0.000 0.260 395 Q C -0.972 175.057 176.000 0.047 0.000 0.964 395 Q CA -0.745 55.041 55.803 -0.028 0.000 0.880 395 Q CB 2.706 31.465 28.738 0.035 0.000 1.286 395 Q HN 0.779 9.049 8.270 -0.000 0.000 0.445 396 L N 2.470 123.689 121.223 -0.007 0.000 2.349 396 L HA 0.213 4.555 4.340 0.004 0.000 0.275 396 L C 0.776 177.678 176.870 0.053 0.000 1.115 396 L CA -0.552 54.331 54.840 0.070 0.000 0.820 396 L CB 0.394 42.471 42.059 0.031 0.000 1.135 396 L HN 0.213 8.443 8.230 -0.000 0.000 0.445 397 K N 1.841 122.275 120.400 0.058 0.000 2.380 397 K HA -0.022 4.300 4.320 0.004 0.000 0.267 397 K C 0.525 177.109 176.600 -0.027 0.000 0.990 397 K CA -0.136 56.160 56.287 0.014 0.000 0.946 397 K CB 0.542 33.043 32.500 0.003 0.000 0.937 397 K HN 0.464 8.714 8.250 -0.000 0.000 0.491 398 D N 0.761 121.147 120.400 -0.024 0.000 2.133 398 D HA -0.164 4.479 4.640 0.004 0.000 0.195 398 D C 1.701 177.974 176.300 -0.045 0.000 0.997 398 D CA 2.179 56.156 54.000 -0.039 0.000 0.840 398 D CB -0.276 40.509 40.800 -0.025 0.000 0.947 398 D HN 0.745 9.115 8.370 -0.000 0.000 0.452 399 T N -1.220 113.307 114.554 -0.045 0.000 2.788 399 T HA -0.124 4.228 4.350 0.004 0.000 0.268 399 T C 1.798 176.424 174.700 -0.123 0.000 1.044 399 T CA 1.120 63.200 62.100 -0.034 0.000 1.139 399 T CB -0.350 68.525 68.868 0.013 0.000 0.867 399 T HN 0.196 8.436 8.240 -0.000 0.000 0.454 400 E N 0.663 120.689 120.200 -0.289 0.000 2.150 400 E HA 0.055 4.407 4.350 0.004 0.000 0.193 400 E C 2.018 178.667 176.600 0.082 0.000 0.985 400 E CA 0.664 56.889 56.400 -0.290 0.000 0.814 400 E CB -0.240 29.357 29.700 -0.172 0.000 0.752 400 E HN 0.326 8.686 8.360 -0.000 0.000 0.466 401 L N 0.871 122.084 121.223 -0.017 0.000 2.056 401 L HA -0.128 4.215 4.340 0.004 0.000 0.207 401 L C 1.959 178.799 176.870 -0.051 0.000 1.078 401 L CA 1.444 56.228 54.840 -0.094 0.000 0.749 401 L CB -0.120 41.838 42.059 -0.167 0.000 0.901 401 L HN 0.101 8.331 8.230 -0.000 0.000 0.433 402 I N -1.652 118.919 120.570 0.003 0.000 2.142 402 I HA -0.350 3.823 4.170 0.004 0.000 0.240 402 I C 2.396 178.603 176.117 0.150 0.000 1.078 402 I CA 1.851 63.172 61.300 0.035 0.000 1.343 402 I CB -0.558 37.462 38.000 0.033 0.000 1.046 402 I HN 0.336 8.546 8.210 -0.000 0.000 0.405 403 Y N 1.773 122.154 120.300 0.135 0.000 2.128 403 Y HA -0.245 4.308 4.550 0.004 0.000 0.284 403 Y C 2.381 178.483 175.900 0.337 0.000 1.154 403 Y CA 1.729 60.000 58.100 0.285 0.000 1.149 403 Y CB -0.885 37.738 38.460 0.272 0.000 0.976 403 Y HN 0.110 8.390 8.280 -0.000 0.000 0.505 404 G N -0.038 108.976 108.800 0.357 0.000 2.491 404 G HA2 -0.337 3.626 3.960 0.004 0.000 0.218 404 G HA3 -0.337 3.626 3.960 0.004 0.000 0.218 404 G C 1.834 176.706 174.900 -0.046 0.000 1.180 404 G CA 1.395 46.589 45.100 0.156 0.000 0.774 404 G HN 0.645 8.935 8.290 -0.000 0.000 0.562 405 A N 0.670 123.450 122.820 -0.067 0.000 1.902 405 A HA -0.020 4.302 4.320 0.004 0.000 0.217 405 A C 2.324 179.942 177.584 0.058 0.000 1.181 405 A CA 2.024 54.015 52.037 -0.076 0.000 0.623 405 A CB -0.364 18.598 19.000 -0.063 0.000 0.818 405 A HN 0.398 8.548 8.150 -0.000 0.000 0.443 406 K N -1.389 119.084 120.400 0.121 0.000 2.097 406 K HA -0.164 4.159 4.320 0.004 0.000 0.206 406 K C 1.920 178.555 176.600 0.059 0.000 1.049 406 K CA 1.694 58.119 56.287 0.231 0.000 0.933 406 K CB -0.305 32.361 32.500 0.276 0.000 0.717 406 K HN 0.648 8.898 8.250 -0.000 0.000 0.442 407 H N 0.089 119.069 119.070 -0.150 0.000 2.428 407 H HA 0.040 4.598 4.556 0.004 0.000 0.296 407 H C 1.930 177.130 175.328 -0.213 0.000 1.062 407 H CA 1.206 57.069 56.048 -0.308 0.000 1.350 407 H CB -0.080 29.392 29.762 -0.484 0.000 1.403 407 H HN 0.243 8.523 8.280 -0.000 0.000 0.533 408 A N 0.309 123.044 122.820 -0.142 0.000 1.933 408 A HA -0.203 4.119 4.320 0.004 0.000 0.218 408 A C 2.021 179.609 177.584 0.006 0.000 1.175 408 A CA 1.499 53.351 52.037 -0.309 0.000 0.628 408 A CB -0.842 17.616 19.000 -0.904 0.000 0.814 408 A HN 0.602 8.752 8.150 -0.000 0.000 0.444 409 W N 0.686 121.967 121.300 -0.031 0.000 2.408 409 W HA -0.046 4.617 4.660 0.004 0.000 0.311 409 W C 2.296 178.773 176.519 -0.070 0.000 1.190 409 W CA 1.257 58.630 57.345 0.047 0.000 1.321 409 W CB -0.771 28.720 29.460 0.053 0.000 1.143 409 W HN 0.335 8.515 8.180 -0.000 0.000 0.501 410 R N 0.338 120.735 120.500 -0.171 0.000 2.154 410 R HA -0.215 4.127 4.340 0.004 0.000 0.248 410 R C 1.440 177.561 176.300 -0.298 0.000 1.155 410 R CA 1.932 57.701 56.100 -0.551 0.000 0.979 410 R CB -0.478 29.091 30.300 -1.219 0.000 0.869 410 R HN 0.128 8.398 8.270 -0.000 0.000 0.452 411 N N -0.166 118.430 118.700 -0.174 0.000 2.336 411 N HA 0.038 4.781 4.740 0.004 0.000 0.189 411 N C -0.476 174.996 175.510 -0.063 0.000 1.113 411 N CA 0.551 53.525 53.050 -0.125 0.000 0.858 411 N CB 0.714 39.137 38.487 -0.107 0.000 0.970 411 N HN 0.138 8.518 8.380 -0.000 0.000 0.471 412 A N 1.182 124.020 122.820 0.029 0.000 2.655 412 A HA 0.174 4.496 4.320 0.004 0.000 0.297 412 A C 1.475 179.070 177.584 0.018 0.000 1.461 412 A CA -0.196 51.871 52.037 0.050 0.000 1.146 412 A CB -0.254 18.839 19.000 0.156 0.000 1.108 412 A HN 0.265 8.415 8.150 -0.000 0.000 0.550 413 S N 2.743 118.411 115.700 -0.054 0.000 2.419 413 S HA -0.186 4.286 4.470 0.004 0.000 0.233 413 S C 1.473 176.054 174.600 -0.030 0.000 1.016 413 S CA 1.196 59.368 58.200 -0.046 0.000 0.974 413 S CB -0.259 62.873 63.200 -0.114 0.000 0.786 413 S HN 0.749 9.059 8.310 -0.000 0.000 0.492 414 R N -0.133 120.315 120.500 -0.087 0.000 2.319 414 R HA 0.237 4.579 4.340 0.004 0.000 0.204 414 R C 0.133 176.453 176.300 0.033 0.000 0.954 414 R CA 0.096 56.159 56.100 -0.061 0.000 1.066 414 R CB -0.359 29.733 30.300 -0.346 0.000 0.991 414 R HN 0.451 8.721 8.270 -0.000 0.000 0.486 415 C N 0.083 119.401 119.300 0.030 0.000 2.264 415 C HA 0.264 4.726 4.460 0.004 0.000 0.324 415 C C 1.778 176.775 174.990 0.011 0.000 1.267 415 C CA -0.761 58.304 59.018 0.078 0.000 1.618 415 C CB 0.737 28.595 27.740 0.196 0.000 2.278 415 C HN 0.267 8.497 8.230 -0.000 0.000 0.499 416 V N 5.777 125.646 119.914 -0.075 0.000 3.306 416 V HA 0.172 4.295 4.120 0.004 0.000 0.264 416 V C 1.910 178.071 176.094 0.112 0.000 1.149 416 V CA 2.285 64.456 62.300 -0.215 0.000 1.143 416 V CB -0.077 31.623 31.823 -0.204 0.000 0.767 416 V HN 1.084 9.274 8.190 -0.000 0.000 0.476 417 G N -0.726 108.171 108.800 0.162 0.000 3.233 417 G HA2 -0.015 3.948 3.960 0.004 0.000 0.227 417 G HA3 -0.015 3.948 3.960 0.004 0.000 0.227 417 G C 1.323 176.311 174.900 0.147 0.000 1.175 417 G CA -0.271 44.935 45.100 0.177 0.000 0.781 417 G HN 0.451 8.741 8.290 -0.000 0.000 0.542 418 R N -0.172 120.388 120.500 0.099 0.000 2.328 418 R HA 0.094 4.436 4.340 0.004 0.000 0.207 418 R C 2.080 177.931 176.300 -0.749 0.000 1.056 418 R CA 0.193 56.083 56.100 -0.350 0.000 1.016 418 R CB -0.242 29.981 30.300 -0.128 0.000 0.872 418 R HN 0.468 8.738 8.270 -0.000 0.000 0.471 419 I N 1.019 121.256 120.570 -0.556 0.000 2.423 419 I HA -0.281 3.892 4.170 0.004 0.000 0.254 419 I C 1.350 177.221 176.117 -0.410 0.000 1.151 419 I CA 1.439 62.413 61.300 -0.544 0.000 1.421 419 I CB 0.158 38.086 38.000 -0.120 0.000 1.079 419 I HN 0.186 8.396 8.210 -0.000 0.000 0.431 420 Q N 0.564 120.104 119.800 -0.434 0.000 2.403 420 Q HA -0.099 4.244 4.340 0.004 0.000 0.203 420 Q C 1.626 177.115 176.000 -0.851 0.000 0.932 420 Q CA 0.518 56.067 55.803 -0.424 0.000 0.945 420 Q CB -0.255 28.407 28.738 -0.127 0.000 1.045 420 Q HN 0.815 9.085 8.270 -0.000 0.000 0.511 421 W N 1.279 121.824 121.300 -1.259 0.000 2.308 421 W HA -0.248 4.414 4.660 0.004 0.000 0.301 421 W C 1.336 177.514 176.519 -0.567 0.000 1.220 421 W CA 1.614 58.112 57.345 -1.411 0.000 1.240 421 W CB -1.256 27.570 29.460 -1.056 0.000 1.142 421 W HN 0.185 8.365 8.180 -0.000 0.000 0.521 422 S N 0.919 115.797 115.700 -1.371 0.000 2.561 422 S HA 0.033 4.506 4.470 0.004 0.000 0.225 422 S C 0.435 174.751 174.600 -0.473 0.000 0.977 422 S CA 0.241 57.737 58.200 -1.173 0.000 0.926 422 S CB -0.331 61.960 63.200 -1.516 0.000 0.769 422 S HN 0.149 8.459 8.310 -0.000 0.000 0.533 423 K N 1.570 121.796 120.400 -0.290 0.000 2.419 423 K HA 0.608 4.931 4.320 0.004 0.000 0.244 423 K C -1.306 175.359 176.600 0.108 0.000 1.045 423 K CA -0.272 55.972 56.287 -0.072 0.000 1.004 423 K CB 1.327 33.816 32.500 -0.019 0.000 1.376 423 K HN 0.256 8.506 8.250 -0.000 0.000 0.460 424 L N 1.531 122.807 121.223 0.088 0.000 2.516 424 L HA 0.367 4.710 4.340 0.004 0.000 0.267 424 L C -1.519 175.330 176.870 -0.036 0.000 0.957 424 L CA -0.547 54.380 54.840 0.145 0.000 0.860 424 L CB 2.095 44.319 42.059 0.275 0.000 1.265 424 L HN 0.370 8.600 8.230 -0.000 0.000 0.403 425 Q N 3.023 122.744 119.800 -0.132 0.000 2.307 425 Q HA 0.540 4.882 4.340 0.004 0.000 0.259 425 Q C -1.422 174.201 176.000 -0.629 0.000 0.998 425 Q CA -0.001 55.546 55.803 -0.428 0.000 0.923 425 Q CB 1.130 29.532 28.738 -0.560 0.000 1.196 425 Q HN 0.555 8.825 8.270 -0.000 0.000 0.416 426 V N 6.122 125.694 119.914 -0.570 0.000 2.370 426 V HA 0.404 4.526 4.120 0.004 0.000 0.279 426 V C -0.663 175.071 176.094 -0.600 0.000 1.029 426 V CA -0.505 61.520 62.300 -0.458 0.000 0.870 426 V CB 0.504 32.185 31.823 -0.238 0.000 0.984 426 V HN 0.622 8.812 8.190 -0.000 0.000 0.451 427 F N 2.647 122.460 119.950 -0.229 0.000 2.404 427 F HA 0.367 4.897 4.527 0.004 0.000 0.354 427 F C 0.493 176.123 175.800 -0.284 0.000 1.122 427 F CA -0.987 56.876 58.000 -0.228 0.000 1.080 427 F CB 1.019 39.895 39.000 -0.206 0.000 1.131 427 F HN 0.405 8.705 8.300 -0.000 0.000 0.471 428 D N 3.207 123.568 120.400 -0.065 0.000 2.352 428 D HA 0.335 4.978 4.640 0.004 0.000 0.245 428 D C 0.107 176.229 176.300 -0.297 0.000 1.224 428 D CA 0.147 54.036 54.000 -0.185 0.000 0.879 428 D CB 1.131 41.864 40.800 -0.112 0.000 1.057 428 D HN 0.634 9.004 8.370 -0.000 0.000 0.491 429 A N 4.587 127.051 122.820 -0.594 0.000 2.713 429 A HA 0.163 4.485 4.320 0.004 0.000 0.296 429 A C 1.455 178.718 177.584 -0.535 0.000 1.255 429 A CA -0.418 51.032 52.037 -0.979 0.000 0.955 429 A CB 0.013 17.864 19.000 -1.914 0.000 1.149 429 A HN 0.536 8.686 8.150 -0.000 0.000 0.538 430 R N 0.423 120.748 120.500 -0.291 0.000 2.323 430 R HA -0.041 4.302 4.340 0.004 0.000 0.198 430 R C 0.520 176.763 176.300 -0.095 0.000 0.988 430 R CA 1.042 57.039 56.100 -0.173 0.000 1.041 430 R CB 0.021 30.273 30.300 -0.080 0.000 0.926 430 R HN 0.625 8.895 8.270 -0.000 0.000 0.476 431 D N -0.716 119.662 120.400 -0.038 0.000 2.340 431 D HA -0.055 4.588 4.640 0.004 0.000 0.220 431 D C 0.281 176.658 176.300 0.127 0.000 1.039 431 D CA -0.282 53.752 54.000 0.056 0.000 0.866 431 D CB -0.376 40.480 40.800 0.093 0.000 0.913 431 D HN 0.005 8.375 8.370 -0.000 0.000 0.523 432 C N 1.086 120.457 119.300 0.117 0.000 2.644 432 C HA 0.493 4.956 4.460 0.004 0.000 0.417 432 C C 1.788 176.981 174.990 0.339 0.000 1.304 432 C CA 0.696 59.892 59.018 0.297 0.000 2.035 432 C CB 0.118 28.093 27.740 0.392 0.000 2.673 432 C HN 0.578 8.808 8.230 -0.000 0.000 0.602 433 T N 0.158 114.960 114.554 0.413 0.000 2.993 433 T HA 0.262 4.615 4.350 0.004 0.000 0.260 433 T C 0.301 175.203 174.700 0.338 0.000 0.939 433 T CA 0.619 62.978 62.100 0.432 0.000 0.886 433 T CB -0.139 68.884 68.868 0.258 0.000 1.209 433 T HN 0.894 9.134 8.240 -0.000 0.000 0.518 434 T N -1.739 112.997 114.554 0.303 0.000 2.865 434 T HA 0.810 5.162 4.350 0.004 0.000 0.294 434 T C 1.396 176.207 174.700 0.185 0.000 1.119 434 T CA -0.200 62.018 62.100 0.197 0.000 1.007 434 T CB 1.449 70.442 68.868 0.208 0.000 1.225 434 T HN 0.098 8.338 8.240 -0.000 0.000 0.515 435 A N 0.043 122.953 122.820 0.150 0.000 1.933 435 A HA -0.024 4.298 4.320 0.004 0.000 0.218 435 A C 1.979 179.558 177.584 -0.008 0.000 1.175 435 A CA 1.761 53.863 52.037 0.108 0.000 0.628 435 A CB -1.407 17.731 19.000 0.231 0.000 0.814 435 A HN 0.993 9.143 8.150 -0.000 0.000 0.444 436 H N -0.805 118.344 119.070 0.131 0.000 2.389 436 H HA 0.036 4.595 4.556 0.004 0.000 0.299 436 H C 2.374 177.717 175.328 0.024 0.000 1.081 436 H CA 1.397 57.463 56.048 0.030 0.000 1.345 436 H CB -0.274 29.604 29.762 0.194 0.000 1.393 436 H HN 0.476 8.756 8.280 -0.000 0.000 0.520 437 G N 0.171 109.109 108.800 0.232 0.000 2.440 437 G HA2 -0.280 3.682 3.960 0.004 0.000 0.218 437 G HA3 -0.280 3.682 3.960 0.004 0.000 0.218 437 G C 1.632 176.700 174.900 0.281 0.000 1.154 437 G CA 1.040 46.278 45.100 0.230 0.000 0.767 437 G HN 0.279 8.569 8.290 -0.000 0.000 0.552 438 M N -0.489 119.250 119.600 0.232 0.000 2.065 438 M HA -0.006 4.476 4.480 0.004 0.000 0.259 438 M C 2.348 178.687 176.300 0.064 0.000 1.069 438 M CA 1.528 56.922 55.300 0.157 0.000 1.110 438 M CB -0.529 31.954 32.600 -0.194 0.000 1.328 438 M HN 0.289 8.579 8.290 -0.000 0.000 0.405 439 F N 1.326 121.043 119.950 -0.387 0.000 2.115 439 F HA -0.341 4.189 4.527 0.004 0.000 0.300 439 F C 2.054 177.743 175.800 -0.184 0.000 1.092 439 F CA 2.161 59.873 58.000 -0.480 0.000 1.245 439 F CB -0.260 38.046 39.000 -1.157 0.000 0.995 439 F HN 0.206 8.506 8.300 -0.000 0.000 0.481 440 N N -0.717 117.831 118.700 -0.253 0.000 2.106 440 N HA -0.224 4.519 4.740 0.004 0.000 0.188 440 N C 1.817 177.162 175.510 -0.275 0.000 1.029 440 N CA 1.783 54.633 53.050 -0.333 0.000 0.848 440 N CB -0.682 37.687 38.487 -0.197 0.000 1.007 440 N HN 0.467 8.847 8.380 -0.000 0.000 0.423 441 Y N 0.314 120.568 120.300 -0.077 0.000 2.207 441 Y HA -0.105 4.447 4.550 0.004 0.000 0.287 441 Y C 2.041 177.905 175.900 -0.060 0.000 1.156 441 Y CA 1.090 59.164 58.100 -0.044 0.000 1.182 441 Y CB -0.052 38.488 38.460 0.133 0.000 0.979 441 Y HN 0.149 8.429 8.280 -0.000 0.000 0.521 442 I N -1.840 118.799 120.570 0.114 0.000 2.353 442 I HA -0.300 3.873 4.170 0.004 0.000 0.248 442 I C 2.186 178.233 176.117 -0.117 0.000 1.119 442 I CA 0.538 61.852 61.300 0.023 0.000 1.417 442 I CB -0.336 37.670 38.000 0.010 0.000 1.078 442 I HN 0.308 8.518 8.210 -0.000 0.000 0.421 443 C N 0.781 119.901 119.300 -0.300 0.000 2.446 443 C HA -0.111 4.352 4.460 0.004 0.000 0.277 443 C C 2.605 177.497 174.990 -0.162 0.000 1.275 443 C CA 0.756 59.595 59.018 -0.298 0.000 1.727 443 C CB -1.316 26.122 27.740 -0.503 0.000 2.010 443 C HN 0.543 8.773 8.230 -0.000 0.000 0.486 444 N N 0.070 118.659 118.700 -0.186 0.000 2.166 444 N HA -0.153 4.590 4.740 0.004 0.000 0.186 444 N C 1.429 176.857 175.510 -0.137 0.000 1.019 444 N CA 1.500 54.439 53.050 -0.186 0.000 0.856 444 N CB -0.844 37.467 38.487 -0.294 0.000 0.993 444 N HN 0.767 9.147 8.380 -0.000 0.000 0.426 445 H N 0.229 119.163 119.070 -0.227 0.000 2.293 445 H HA 0.002 4.561 4.556 0.004 0.000 0.300 445 H C 1.806 177.173 175.328 0.065 0.000 1.082 445 H CA 1.435 57.425 56.048 -0.097 0.000 1.308 445 H CB 0.090 29.845 29.762 -0.012 0.000 1.375 445 H HN -0.096 8.184 8.280 -0.000 0.000 0.495 446 V N 0.904 120.961 119.914 0.239 0.000 2.392 446 V HA -0.240 3.882 4.120 0.004 0.000 0.249 446 V C 2.457 178.632 176.094 0.136 0.000 1.059 446 V CA 2.216 64.611 62.300 0.159 0.000 1.051 446 V CB -0.458 31.378 31.823 0.022 0.000 0.658 446 V HN 0.411 8.601 8.190 -0.000 0.000 0.455 447 K N -1.099 119.356 120.400 0.091 0.000 2.076 447 K HA -0.166 4.156 4.320 0.004 0.000 0.204 447 K C 2.241 178.900 176.600 0.097 0.000 1.051 447 K CA 1.331 57.657 56.287 0.064 0.000 0.949 447 K CB -0.275 32.238 32.500 0.023 0.000 0.726 447 K HN 0.507 8.757 8.250 -0.000 0.000 0.443 448 Y N 0.898 121.219 120.300 0.035 0.000 2.097 448 Y HA -0.262 4.291 4.550 0.004 0.000 0.282 448 Y C 1.975 177.950 175.900 0.125 0.000 1.152 448 Y CA 1.945 60.096 58.100 0.086 0.000 1.136 448 Y CB -0.390 38.154 38.460 0.139 0.000 0.975 448 Y HN 0.141 8.421 8.280 -0.000 0.000 0.498 449 A N -0.468 122.549 122.820 0.327 0.000 1.877 449 A HA -0.192 4.130 4.320 0.004 0.000 0.216 449 A C 2.214 179.874 177.584 0.127 0.000 1.186 449 A CA 2.357 54.549 52.037 0.258 0.000 0.620 449 A CB -1.431 17.795 19.000 0.376 0.000 0.822 449 A HN 0.537 8.687 8.150 -0.000 0.000 0.443 450 T N -0.178 114.447 114.554 0.118 0.000 2.652 450 T HA -0.181 4.172 4.350 0.004 0.000 0.267 450 T C 1.170 175.880 174.700 0.016 0.000 1.039 450 T CA 1.622 63.771 62.100 0.081 0.000 1.153 450 T CB -0.480 68.433 68.868 0.074 0.000 0.863 450 T HN 0.679 8.919 8.240 -0.000 0.000 0.428 451 N N 0.982 119.659 118.700 -0.038 0.000 2.727 451 N HA -0.228 4.515 4.740 0.004 0.000 0.249 451 N C -0.377 175.105 175.510 -0.047 0.000 1.048 451 N CA 0.839 53.839 53.050 -0.083 0.000 0.714 451 N CB -1.574 36.825 38.487 -0.147 0.000 0.959 451 N HN 0.622 9.002 8.380 -0.000 0.000 0.544 452 K N -2.566 117.820 120.400 -0.024 0.000 3.016 452 K HA -0.228 4.094 4.320 0.004 0.000 0.262 452 K C 1.065 177.649 176.600 -0.026 0.000 1.043 452 K CA 0.993 57.267 56.287 -0.021 0.000 0.761 452 K CB -1.777 30.707 32.500 -0.026 0.000 1.230 452 K HN 0.918 9.168 8.250 -0.000 0.000 0.485 453 G N 0.472 109.264 108.800 -0.014 0.000 2.278 453 G HA2 -0.313 3.649 3.960 0.004 0.000 0.210 453 G HA3 -0.313 3.649 3.960 0.004 0.000 0.210 453 G C -0.107 174.780 174.900 -0.023 0.000 1.000 453 G CA 0.081 45.171 45.100 -0.016 0.000 0.635 453 G HN 0.478 8.768 8.290 -0.000 0.000 0.495 454 N N 1.311 119.985 118.700 -0.043 0.000 3.229 454 N HA 0.419 5.162 4.740 0.004 0.000 0.275 454 N C 0.213 175.691 175.510 -0.053 0.000 1.225 454 N CA -0.702 52.303 53.050 -0.075 0.000 1.119 454 N CB -0.117 38.322 38.487 -0.080 0.000 1.392 454 N HN 0.130 8.510 8.380 -0.000 0.000 0.520 455 L N 2.135 123.357 121.223 -0.003 0.000 2.543 455 L HA 0.018 4.360 4.340 0.004 0.000 0.285 455 L C 0.723 177.723 176.870 0.216 0.000 1.236 455 L CA 1.121 56.045 54.840 0.140 0.000 0.871 455 L CB 0.130 42.373 42.059 0.307 0.000 1.121 455 L HN 0.380 8.610 8.230 -0.000 0.000 0.501 456 R N 1.355 122.003 120.500 0.247 0.000 2.561 456 R HA 0.438 4.781 4.340 0.004 0.000 0.297 456 R C -0.626 175.873 176.300 0.331 0.000 0.969 456 R CA -0.681 55.587 56.100 0.279 0.000 0.879 456 R CB 1.761 32.099 30.300 0.063 0.000 1.178 456 R HN 0.605 8.875 8.270 -0.000 0.000 0.445 457 S N 1.414 117.305 115.700 0.319 0.000 2.549 457 S HA 0.498 4.971 4.470 0.004 0.000 0.283 457 S C -0.295 174.369 174.600 0.108 0.000 1.320 457 S CA -0.275 58.006 58.200 0.136 0.000 1.058 457 S CB 1.301 64.550 63.200 0.081 0.000 0.882 457 S HN 0.697 9.008 8.310 -0.000 0.000 0.498 458 A N 2.434 125.269 122.820 0.024 0.000 2.604 458 A HA 0.796 5.118 4.320 0.004 0.000 0.295 458 A C -1.280 176.288 177.584 -0.027 0.000 1.067 458 A CA -0.669 51.303 52.037 -0.108 0.000 0.683 458 A CB 1.122 19.997 19.000 -0.209 0.000 1.281 458 A HN 0.811 8.961 8.150 -0.000 0.000 0.407 459 I N 0.433 120.973 120.570 -0.050 0.000 2.686 459 I HA 0.705 4.877 4.170 0.004 0.000 0.295 459 I C -0.976 175.230 176.117 0.148 0.000 1.114 459 I CA -0.113 61.291 61.300 0.173 0.000 1.038 459 I CB 2.434 40.508 38.000 0.124 0.000 1.238 459 I HN 0.598 8.808 8.210 -0.000 0.000 0.420 460 T N 7.722 122.435 114.554 0.265 0.000 2.807 460 T HA 0.583 4.935 4.350 0.004 0.000 0.279 460 T C -0.429 174.124 174.700 -0.245 0.000 0.993 460 T CA -0.244 61.870 62.100 0.023 0.000 0.970 460 T CB 1.047 69.968 68.868 0.089 0.000 0.950 460 T HN 0.316 8.556 8.240 -0.000 0.000 0.441 461 I N 4.011 124.301 120.570 -0.466 0.000 2.390 461 I HA 0.384 4.556 4.170 0.004 0.000 0.283 461 I C -0.489 175.281 176.117 -0.579 0.000 1.016 461 I CA -0.677 60.373 61.300 -0.417 0.000 1.151 461 I CB 0.676 38.416 38.000 -0.433 0.000 1.293 461 I HN 0.482 8.692 8.210 -0.000 0.000 0.458 462 F N 6.572 126.456 119.950 -0.110 0.000 2.399 462 F HA 0.365 4.894 4.527 0.004 0.000 0.313 462 F C -1.780 173.888 175.800 -0.220 0.000 1.202 462 F CA -2.071 55.782 58.000 -0.245 0.000 1.192 462 F CB -0.293 38.609 39.000 -0.163 0.000 1.256 462 F HN 0.221 8.521 8.300 -0.000 0.000 0.558 463 P HA -0.028 4.392 4.420 -0.000 0.000 0.265 463 P C -0.962 176.294 177.300 -0.073 0.000 1.187 463 P CA -0.127 62.815 63.100 -0.263 0.000 0.766 463 P CB 0.226 31.608 31.700 -0.530 0.000 0.820 464 Q N 2.888 122.597 119.800 -0.152 0.000 2.454 464 Q HA 0.099 4.442 4.340 0.004 0.000 0.247 464 Q C 0.157 176.048 176.000 -0.182 0.000 1.028 464 Q CA -0.508 55.017 55.803 -0.464 0.000 0.910 464 Q CB 0.591 28.776 28.738 -0.922 0.000 1.276 464 Q HN 0.305 8.575 8.270 -0.000 0.000 0.489 465 R N 0.484 120.879 120.500 -0.174 0.000 2.638 465 R HA -0.056 4.286 4.340 0.004 0.000 0.268 465 R C 0.313 176.573 176.300 -0.067 0.000 1.006 465 R CA 1.322 57.388 56.100 -0.057 0.000 1.088 465 R CB 0.448 30.706 30.300 -0.072 0.000 0.950 465 R HN 0.980 9.250 8.270 -0.000 0.000 0.419 466 T N -0.848 113.709 114.554 0.005 0.000 3.479 466 T HA 0.016 4.369 4.350 0.004 0.000 0.197 466 T C 0.839 175.545 174.700 0.009 0.000 0.912 466 T CA 0.179 62.272 62.100 -0.012 0.000 1.281 466 T CB -0.264 68.591 68.868 -0.021 0.000 1.588 466 T HN 0.697 8.937 8.240 -0.000 0.000 0.389 467 D N 1.057 121.487 120.400 0.050 0.000 2.328 467 D HA 0.288 4.931 4.640 0.004 0.000 0.221 467 D C 1.599 177.942 176.300 0.072 0.000 1.072 467 D CA 0.570 54.607 54.000 0.062 0.000 0.850 467 D CB -0.504 40.345 40.800 0.082 0.000 0.922 467 D HN 0.970 9.340 8.370 -0.000 0.000 0.516 468 G N 0.899 109.743 108.800 0.073 0.000 2.189 468 G HA2 -0.376 3.586 3.960 0.004 0.000 0.267 468 G HA3 -0.376 3.586 3.960 0.004 0.000 0.267 468 G C 0.966 175.895 174.900 0.049 0.000 0.975 468 G CA 0.575 45.705 45.100 0.049 0.000 0.644 468 G HN 0.481 8.771 8.290 -0.000 0.000 0.537 469 K N -0.807 119.652 120.400 0.098 0.000 2.358 469 K HA 0.248 4.570 4.320 0.004 0.000 0.200 469 K C 0.598 177.100 176.600 -0.165 0.000 1.030 469 K CA 0.187 56.470 56.287 -0.007 0.000 1.097 469 K CB 0.454 32.957 32.500 0.005 0.000 0.862 469 K HN 0.487 8.737 8.250 -0.000 0.000 0.534 470 H N 0.329 119.413 119.070 0.024 0.000 2.549 470 H HA 0.178 4.736 4.556 0.004 0.000 0.253 470 H C -1.118 174.239 175.328 0.048 0.000 1.170 470 H CA -0.702 55.362 56.048 0.026 0.000 0.943 470 H CB 0.284 30.078 29.762 0.054 0.000 1.849 470 H HN -0.017 8.263 8.280 -0.000 0.000 0.603 471 D N 0.352 120.809 120.400 0.096 0.000 2.389 471 D HA 0.029 4.672 4.640 0.004 0.000 0.247 471 D C -0.091 176.261 176.300 0.088 0.000 1.128 471 D CA 0.189 54.272 54.000 0.139 0.000 0.884 471 D CB 0.486 41.340 40.800 0.089 0.000 1.194 471 D HN 0.117 8.487 8.370 -0.000 0.000 0.441 472 F N 2.737 122.731 119.950 0.072 0.000 2.438 472 F HA 0.297 4.827 4.527 0.004 0.000 0.356 472 F C 1.023 176.851 175.800 0.047 0.000 1.099 472 F CA -0.074 57.954 58.000 0.045 0.000 1.185 472 F CB 0.577 39.623 39.000 0.076 0.000 1.115 472 F HN -0.139 8.161 8.300 -0.000 0.000 0.526 473 R N 2.375 122.962 120.500 0.145 0.000 2.621 473 R HA 0.490 4.833 4.340 0.004 0.000 0.284 473 R C -1.534 174.877 176.300 0.184 0.000 0.998 473 R CA -0.988 55.212 56.100 0.167 0.000 0.895 473 R CB 1.901 32.298 30.300 0.162 0.000 1.195 473 R HN 0.320 8.590 8.270 -0.000 0.000 0.450 474 V N 3.264 123.263 119.914 0.142 0.000 2.385 474 V HA 0.113 4.236 4.120 0.004 0.000 0.269 474 V C 0.448 176.701 176.094 0.266 0.000 1.043 474 V CA -0.325 62.063 62.300 0.148 0.000 0.906 474 V CB 0.960 32.811 31.823 0.047 0.000 0.995 474 V HN 0.732 8.922 8.190 -0.000 0.000 0.467 475 W N 2.336 123.668 121.300 0.055 0.000 2.518 475 W HA 0.047 4.709 4.660 0.004 0.000 0.273 475 W C 1.062 177.601 176.519 0.032 0.000 1.247 475 W CA -0.379 57.078 57.345 0.186 0.000 1.288 475 W CB -0.646 29.057 29.460 0.405 0.000 1.107 475 W HN 0.532 8.712 8.180 -0.000 0.000 0.586 476 N N 0.079 118.766 118.700 -0.022 0.000 2.416 476 N HA 0.002 4.745 4.740 0.004 0.000 0.246 476 N C 1.279 176.600 175.510 -0.315 0.000 1.260 476 N CA 0.925 53.621 53.050 -0.589 0.000 0.897 476 N CB 0.513 38.744 38.487 -0.427 0.000 1.110 476 N HN -0.100 8.280 8.380 -0.000 0.000 0.439 477 S N 0.058 115.549 115.700 -0.349 0.000 2.425 477 S HA 0.016 4.488 4.470 0.004 0.000 0.225 477 S C 0.294 174.785 174.600 -0.182 0.000 1.024 477 S CA 0.451 58.545 58.200 -0.178 0.000 0.951 477 S CB 0.047 63.188 63.200 -0.098 0.000 0.796 477 S HN 0.640 8.950 8.310 -0.000 0.000 0.498 478 Q N -0.458 119.212 119.800 -0.217 0.000 2.423 478 Q HA 0.529 4.871 4.340 0.004 0.000 0.278 478 Q C 0.309 176.151 176.000 -0.263 0.000 1.097 478 Q CA -0.569 55.098 55.803 -0.226 0.000 0.809 478 Q CB 1.993 30.639 28.738 -0.154 0.000 1.391 478 Q HN 0.090 8.360 8.270 -0.000 0.000 0.428 479 L N 0.607 121.673 121.223 -0.262 0.000 2.042 479 L HA -0.066 4.277 4.340 0.004 0.000 0.210 479 L C 0.669 177.368 176.870 -0.285 0.000 1.076 479 L CA 1.274 55.972 54.840 -0.236 0.000 0.749 479 L CB -0.138 41.781 42.059 -0.233 0.000 0.893 479 L HN 0.483 8.713 8.230 -0.000 0.000 0.432 480 I N -0.430 119.881 120.570 -0.433 0.000 2.465 480 I HA 0.457 4.630 4.170 0.004 0.000 0.291 480 I C -0.300 175.246 176.117 -0.950 0.000 1.014 480 I CA -0.387 60.507 61.300 -0.676 0.000 1.093 480 I CB 1.883 39.321 38.000 -0.938 0.000 1.267 480 I HN 0.172 8.382 8.210 -0.000 0.000 0.431 481 R N 3.816 123.874 120.500 -0.736 0.000 2.690 481 R HA 0.439 4.781 4.340 0.004 0.000 0.269 481 R C -1.783 174.281 176.300 -0.394 0.000 1.037 481 R CA -0.909 54.873 56.100 -0.530 0.000 0.877 481 R CB 2.696 32.869 30.300 -0.212 0.000 1.255 481 R HN 0.460 8.730 8.270 -0.000 0.000 0.467 482 Y N 0.310 120.641 120.300 0.053 0.000 2.352 482 Y HA 0.486 5.039 4.550 0.004 0.000 0.326 482 Y C 0.936 176.895 175.900 0.098 0.000 1.166 482 Y CA -0.670 57.508 58.100 0.130 0.000 1.182 482 Y CB 1.515 40.129 38.460 0.255 0.000 1.216 482 Y HN 0.651 8.931 8.280 -0.000 0.000 0.474 483 A N 1.576 124.552 122.820 0.260 0.000 2.429 483 A HA 0.542 4.865 4.320 0.004 0.000 0.242 483 A C 0.450 177.946 177.584 -0.147 0.000 1.088 483 A CA 0.351 52.379 52.037 -0.015 0.000 0.784 483 A CB -0.285 18.672 19.000 -0.072 0.000 1.038 483 A HN 0.892 9.042 8.150 -0.000 0.000 0.501 484 G N -0.777 107.800 108.800 -0.372 0.000 2.643 484 G HA2 0.577 4.540 3.960 0.004 0.000 0.305 484 G HA3 0.577 4.540 3.960 0.004 0.000 0.305 484 G C -1.469 173.182 174.900 -0.415 0.000 1.387 484 G CA -0.284 44.653 45.100 -0.271 0.000 0.982 484 G HN 0.528 8.818 8.290 -0.000 0.000 0.501 485 Y N 0.829 121.146 120.300 0.028 0.000 2.338 485 Y HA 0.457 5.009 4.550 0.004 0.000 0.333 485 Y C 0.338 176.237 175.900 -0.002 0.000 0.968 485 Y CA -1.002 57.110 58.100 0.020 0.000 1.123 485 Y CB 2.645 41.116 38.460 0.018 0.000 1.165 485 Y HN 0.489 8.769 8.280 -0.000 0.000 0.452 486 K N 3.558 124.025 120.400 0.113 0.000 2.248 486 K HA 0.265 4.588 4.320 0.004 0.000 0.281 486 K C -0.406 176.232 176.600 0.063 0.000 1.054 486 K CA -0.386 55.938 56.287 0.061 0.000 0.903 486 K CB 0.629 33.148 32.500 0.032 0.000 1.077 486 K HN 0.543 8.793 8.250 -0.000 0.000 0.474 487 Q N 4.254 124.081 119.800 0.045 0.000 2.256 487 Q HA 0.174 4.516 4.340 0.004 0.000 0.232 487 Q C -1.648 174.361 176.000 0.015 0.000 0.965 487 Q CA -1.906 53.913 55.803 0.027 0.000 0.908 487 Q CB 0.577 29.325 28.738 0.016 0.000 1.209 487 Q HN 0.531 8.801 8.270 -0.000 0.000 0.489 488 P HA -0.143 4.277 4.420 -0.000 0.000 0.220 488 P C 0.397 177.697 177.300 0.001 0.000 1.148 488 P CA 1.242 64.343 63.100 0.001 0.000 0.803 488 P CB 0.093 31.790 31.700 -0.005 0.000 0.782 489 D N -1.182 119.219 120.400 0.001 0.000 2.323 489 D HA 0.094 4.736 4.640 0.004 0.000 0.239 489 D C 1.456 177.758 176.300 0.004 0.000 1.129 489 D CA 0.379 54.379 54.000 0.000 0.000 0.865 489 D CB -0.983 39.816 40.800 -0.002 0.000 0.913 489 D HN 0.235 8.605 8.370 -0.000 0.000 0.517 490 G N 0.182 108.986 108.800 0.007 0.000 2.284 490 G HA2 -0.349 3.613 3.960 0.004 0.000 0.261 490 G HA3 -0.349 3.613 3.960 0.004 0.000 0.261 490 G C 0.575 175.481 174.900 0.010 0.000 0.997 490 G CA 0.692 45.797 45.100 0.008 0.000 0.621 490 G HN 0.918 9.208 8.290 -0.000 0.000 0.534 491 S N -0.213 115.492 115.700 0.009 0.000 2.580 491 S HA 0.571 5.043 4.470 0.004 0.000 0.266 491 S C 0.102 174.711 174.600 0.015 0.000 1.354 491 S CA 0.950 59.156 58.200 0.010 0.000 1.008 491 S CB 1.580 64.784 63.200 0.008 0.000 0.898 491 S HN 0.755 9.065 8.310 -0.000 0.000 0.555 492 T N 2.161 116.721 114.554 0.010 0.000 2.841 492 T HA 0.522 4.875 4.350 0.004 0.000 0.283 492 T C -0.864 173.846 174.700 0.015 0.000 1.000 492 T CA -0.583 61.525 62.100 0.014 0.000 0.977 492 T CB 1.204 70.062 68.868 -0.017 0.000 0.979 492 T HN 0.628 8.867 8.240 -0.000 0.000 0.446 493 L N 3.308 124.573 121.223 0.069 0.000 2.309 493 L HA 0.786 5.129 4.340 0.004 0.000 0.282 493 L C 0.644 177.578 176.870 0.106 0.000 1.036 493 L CA 1.081 55.973 54.840 0.085 0.000 0.806 493 L CB 0.108 42.236 42.059 0.116 0.000 1.220 493 L HN 0.996 9.226 8.230 -0.000 0.000 0.429 494 G N 3.928 112.727 108.800 -0.001 0.000 2.527 494 G HA2 -0.220 3.743 3.960 0.004 0.000 0.227 494 G HA3 -0.220 3.743 3.960 0.004 0.000 0.227 494 G C -0.796 173.867 174.900 -0.395 0.000 1.291 494 G CA -0.020 45.049 45.100 -0.052 0.000 0.904 494 G HN 0.889 9.179 8.290 -0.000 0.000 0.577 495 D N 1.406 121.667 120.400 -0.232 0.000 2.339 495 D HA 0.525 5.168 4.640 0.004 0.000 0.241 495 D C -0.990 175.223 176.300 -0.145 0.000 1.183 495 D CA -1.948 51.868 54.000 -0.307 0.000 0.859 495 D CB 1.326 42.267 40.800 0.235 0.000 1.067 495 D HN 0.003 8.373 8.370 -0.000 0.000 0.484 496 P HA -0.010 4.410 4.420 -0.000 0.000 0.226 496 P C 0.856 178.151 177.300 -0.009 0.000 1.153 496 P CA 0.612 63.667 63.100 -0.075 0.000 0.777 496 P CB 0.259 31.916 31.700 -0.071 0.000 0.794 497 A N -0.323 122.514 122.820 0.028 0.000 2.121 497 A HA -0.123 4.200 4.320 0.004 0.000 0.218 497 A C 1.640 179.270 177.584 0.077 0.000 1.154 497 A CA 1.376 53.455 52.037 0.070 0.000 0.679 497 A CB -0.814 18.256 19.000 0.115 0.000 0.795 497 A HN 0.148 8.298 8.150 -0.000 0.000 0.458 498 N N -0.781 117.956 118.700 0.062 0.000 2.200 498 N HA 0.137 4.880 4.740 0.004 0.000 0.224 498 N C 1.150 176.677 175.510 0.029 0.000 1.179 498 N CA 0.214 53.312 53.050 0.079 0.000 0.877 498 N CB 0.653 39.199 38.487 0.098 0.000 1.072 498 N HN 0.173 8.553 8.380 -0.000 0.000 0.519 499 V N 1.279 121.188 119.914 -0.008 0.000 2.231 499 V HA -0.304 3.819 4.120 0.004 0.000 0.248 499 V C 2.603 178.662 176.094 -0.059 0.000 1.054 499 V CA 1.930 64.202 62.300 -0.047 0.000 1.015 499 V CB -0.442 31.365 31.823 -0.027 0.000 0.638 499 V HN 0.372 8.562 8.190 -0.000 0.000 0.444 500 Q N -1.130 118.644 119.800 -0.044 0.000 2.061 500 Q HA -0.270 4.072 4.340 0.004 0.000 0.204 500 Q C 2.176 178.028 176.000 -0.248 0.000 0.984 500 Q CA 2.494 58.221 55.803 -0.126 0.000 0.846 500 Q CB -0.253 28.425 28.738 -0.100 0.000 0.902 500 Q HN 0.646 8.916 8.270 -0.000 0.000 0.421 501 F N 0.848 120.602 119.950 -0.326 0.000 2.134 501 F HA -0.204 4.325 4.527 0.004 0.000 0.299 501 F C 2.180 177.841 175.800 -0.233 0.000 1.097 501 F CA 1.958 59.737 58.000 -0.368 0.000 1.264 501 F CB -0.586 38.283 39.000 -0.218 0.000 1.001 501 F HN 0.023 8.323 8.300 -0.000 0.000 0.479 502 T N -0.029 114.400 114.554 -0.209 0.000 2.665 502 T HA -0.280 4.072 4.350 0.004 0.000 0.268 502 T C 1.750 176.338 174.700 -0.186 0.000 1.035 502 T CA 1.963 63.933 62.100 -0.216 0.000 1.151 502 T CB -0.442 68.311 68.868 -0.190 0.000 0.862 502 T HN 0.372 8.612 8.240 -0.000 0.000 0.438 503 E N 0.247 120.342 120.200 -0.175 0.000 2.085 503 E HA -0.089 4.263 4.350 0.004 0.000 0.194 503 E C 2.158 178.649 176.600 -0.182 0.000 0.994 503 E CA 0.990 57.313 56.400 -0.127 0.000 0.801 503 E CB -0.245 29.381 29.700 -0.124 0.000 0.743 503 E HN 0.487 8.847 8.360 -0.000 0.000 0.453 504 I N 0.232 120.612 120.570 -0.317 0.000 2.142 504 I HA -0.359 3.813 4.170 0.004 0.000 0.240 504 I C 2.435 178.362 176.117 -0.318 0.000 1.078 504 I CA 0.701 61.811 61.300 -0.316 0.000 1.343 504 I CB -0.365 37.393 38.000 -0.404 0.000 1.046 504 I HN 0.317 8.527 8.210 -0.000 0.000 0.405 505 C N 1.059 120.052 119.300 -0.512 0.000 2.359 505 C HA -0.226 4.236 4.460 0.004 0.000 0.277 505 C C 2.718 177.685 174.990 -0.037 0.000 1.192 505 C CA 0.921 59.718 59.018 -0.368 0.000 1.759 505 C CB -0.965 26.451 27.740 -0.540 0.000 2.038 505 C HN 0.427 8.657 8.230 -0.000 0.000 0.448 506 I N 0.718 121.342 120.570 0.089 0.000 2.113 506 I HA -0.382 3.790 4.170 0.004 0.000 0.242 506 I C 2.779 178.907 176.117 0.017 0.000 1.057 506 I CA 2.493 63.875 61.300 0.138 0.000 1.314 506 I CB -0.732 37.346 38.000 0.130 0.000 1.022 506 I HN 0.563 8.773 8.210 -0.000 0.000 0.408 507 Q N 0.490 120.259 119.800 -0.052 0.000 2.167 507 Q HA -0.227 4.115 4.340 0.004 0.000 0.202 507 Q C 1.861 177.807 176.000 -0.091 0.000 0.970 507 Q CA 1.095 56.850 55.803 -0.080 0.000 0.855 507 Q CB -0.021 28.650 28.738 -0.112 0.000 0.911 507 Q HN 0.482 8.752 8.270 -0.000 0.000 0.438 508 Q N -0.421 119.322 119.800 -0.096 0.000 2.541 508 Q HA 0.040 4.382 4.340 0.004 0.000 0.215 508 Q C 1.047 177.008 176.000 -0.064 0.000 0.977 508 Q CA 1.067 56.812 55.803 -0.097 0.000 0.934 508 Q CB 0.468 29.128 28.738 -0.129 0.000 0.988 508 Q HN 0.666 8.936 8.270 -0.000 0.000 0.521 509 G N -0.195 108.590 108.800 -0.025 0.000 2.179 509 G HA2 -0.227 3.735 3.960 0.004 0.000 0.220 509 G HA3 -0.227 3.735 3.960 0.004 0.000 0.220 509 G C -0.408 174.524 174.900 0.052 0.000 0.990 509 G CA -0.208 44.886 45.100 -0.010 0.000 0.646 509 G HN 0.336 8.626 8.290 -0.000 0.000 0.517 510 W N 3.821 125.055 121.300 -0.110 0.000 2.385 510 W HA 0.492 5.154 4.660 0.004 0.000 0.336 510 W C 0.326 176.817 176.519 -0.047 0.000 1.351 510 W CA -0.222 57.074 57.345 -0.081 0.000 1.295 510 W CB 0.580 29.991 29.460 -0.082 0.000 1.239 510 W HN -0.008 8.172 8.180 -0.000 0.000 0.565 511 K N 6.545 126.703 120.400 -0.402 0.000 2.267 511 K HA 0.457 4.780 4.320 0.004 0.000 0.282 511 K C -0.206 175.824 176.600 -0.950 0.000 1.078 511 K CA -0.341 55.657 56.287 -0.482 0.000 0.903 511 K CB 0.775 33.104 32.500 -0.285 0.000 1.111 511 K HN 0.482 8.732 8.250 -0.000 0.000 0.475 512 A N 5.422 127.739 122.820 -0.838 0.000 2.276 512 A HA 0.347 4.670 4.320 0.004 0.000 0.300 512 A C -1.275 175.973 177.584 -0.560 0.000 1.235 512 A CA -1.231 50.192 52.037 -1.024 0.000 0.867 512 A CB 0.335 19.065 19.000 -0.450 0.000 1.137 512 A HN 0.386 8.536 8.150 -0.000 0.000 0.527 513 P HA -0.152 4.268 4.420 -0.000 0.000 0.216 513 P C -0.098 177.041 177.300 -0.269 0.000 1.150 513 P CA 0.636 63.602 63.100 -0.224 0.000 0.837 513 P CB -0.043 31.625 31.700 -0.055 0.000 0.786 514 R N -1.275 118.987 120.500 -0.397 0.000 3.246 514 R HA -0.065 4.278 4.340 0.004 0.000 0.260 514 R C 0.655 176.754 176.300 -0.335 0.000 1.034 514 R CA 0.192 55.793 56.100 -0.832 0.000 0.691 514 R CB -2.620 27.192 30.300 -0.812 0.000 1.186 514 R HN 0.383 8.653 8.270 -0.000 0.000 0.416 515 G N -0.389 108.387 108.800 -0.040 0.000 2.705 515 G HA2 0.418 4.380 3.960 0.004 0.000 0.299 515 G HA3 0.418 4.380 3.960 0.004 0.000 0.299 515 G C 0.295 175.267 174.900 0.120 0.000 1.315 515 G CA -0.674 44.455 45.100 0.048 0.000 1.045 515 G HN 0.221 8.511 8.290 -0.000 0.000 0.517 516 R N -1.513 119.005 120.500 0.030 0.000 2.236 516 R HA 0.162 4.504 4.340 0.004 0.000 0.208 516 R C -0.009 175.959 176.300 -0.554 0.000 1.036 516 R CA 0.844 56.828 56.100 -0.193 0.000 1.001 516 R CB -0.130 30.010 30.300 -0.267 0.000 0.896 516 R HN 0.366 8.636 8.270 -0.000 0.000 0.464 517 F N 0.406 120.387 119.950 0.051 0.000 2.556 517 F HA 0.255 4.785 4.527 0.004 0.000 0.384 517 F C -0.980 174.902 175.800 0.137 0.000 1.493 517 F CA -1.131 56.722 58.000 -0.244 0.000 1.119 517 F CB 0.759 39.432 39.000 -0.545 0.000 1.280 517 F HN -0.203 8.097 8.300 -0.000 0.000 0.525 518 D N 1.735 122.408 120.400 0.455 0.000 2.339 518 D HA 0.151 4.794 4.640 0.004 0.000 0.256 518 D C 0.258 176.901 176.300 0.572 0.000 1.214 518 D CA 0.204 54.513 54.000 0.516 0.000 0.877 518 D CB 2.001 43.161 40.800 0.601 0.000 1.111 518 D HN -0.067 8.303 8.370 -0.000 0.000 0.478 519 V N 4.048 124.236 119.914 0.457 0.000 2.485 519 V HA -0.020 4.103 4.120 0.004 0.000 0.287 519 V C 1.051 177.218 176.094 0.123 0.000 1.022 519 V CA -0.247 62.184 62.300 0.219 0.000 1.067 519 V CB 0.070 31.966 31.823 0.122 0.000 0.967 519 V HN 0.349 8.539 8.190 -0.000 0.000 0.479 520 L N 8.408 129.597 121.223 -0.057 0.000 2.473 520 L HA 0.278 4.621 4.340 0.004 0.000 0.268 520 L C -1.611 175.058 176.870 -0.335 0.000 1.215 520 L CA -1.267 53.374 54.840 -0.331 0.000 0.823 520 L CB 0.472 42.419 42.059 -0.186 0.000 1.099 520 L HN 0.481 8.711 8.230 -0.000 0.000 0.483 521 P HA 0.207 4.627 4.420 -0.000 0.000 0.276 521 P C -1.044 176.181 177.300 -0.126 0.000 1.261 521 P CA -0.489 62.402 63.100 -0.348 0.000 0.800 521 P CB 0.807 32.163 31.700 -0.574 0.000 1.066 522 L N 0.629 121.855 121.223 0.006 0.000 2.312 522 L HA 0.339 4.682 4.340 0.004 0.000 0.281 522 L C 0.185 177.127 176.870 0.120 0.000 1.070 522 L CA -0.891 54.014 54.840 0.107 0.000 0.805 522 L CB 0.784 42.950 42.059 0.178 0.000 1.174 522 L HN 0.208 8.438 8.230 -0.000 0.000 0.434 523 L N 5.318 126.644 121.223 0.172 0.000 2.294 523 L HA 0.542 4.885 4.340 0.004 0.000 0.283 523 L C -0.905 175.957 176.870 -0.014 0.000 1.015 523 L CA -0.065 54.798 54.840 0.037 0.000 0.831 523 L CB 1.045 43.156 42.059 0.087 0.000 1.217 523 L HN 0.389 8.619 8.230 -0.000 0.000 0.420 524 L N 4.661 125.843 121.223 -0.069 0.000 2.376 524 L HA 0.523 4.866 4.340 0.004 0.000 0.275 524 L C -0.441 176.331 176.870 -0.163 0.000 0.987 524 L CA -0.505 54.307 54.840 -0.047 0.000 0.828 524 L CB 1.998 44.083 42.059 0.043 0.000 1.249 524 L HN 0.564 8.794 8.230 -0.000 0.000 0.409 525 Q N 2.950 122.649 119.800 -0.170 0.000 2.340 525 Q HA 0.708 5.050 4.340 0.004 0.000 0.259 525 Q C -1.042 174.784 176.000 -0.289 0.000 0.964 525 Q CA -0.513 55.161 55.803 -0.215 0.000 0.900 525 Q CB 1.866 30.572 28.738 -0.054 0.000 1.228 525 Q HN 0.754 9.024 8.270 -0.000 0.000 0.449 526 A N 4.262 126.843 122.820 -0.398 0.000 2.324 526 A HA 0.358 4.681 4.320 0.004 0.000 0.330 526 A C 0.207 177.278 177.584 -0.855 0.000 1.165 526 A CA -0.395 51.105 52.037 -0.895 0.000 0.813 526 A CB 0.748 19.468 19.000 -0.467 0.000 1.197 526 A HN 1.111 9.261 8.150 -0.000 0.000 0.484 527 N N 0.675 118.543 118.700 -1.387 0.000 2.708 527 N HA -0.254 4.489 4.740 0.004 0.000 0.249 527 N C 1.006 176.395 175.510 -0.200 0.000 1.097 527 N CA 1.499 54.283 53.050 -0.443 0.000 0.710 527 N CB -0.725 37.682 38.487 -0.133 0.000 1.032 527 N HN 2.226 10.606 8.380 -0.000 0.000 0.551 528 G N -1.139 107.527 108.800 -0.223 0.000 2.184 528 G HA2 -0.330 3.633 3.960 0.004 0.000 0.264 528 G HA3 -0.330 3.633 3.960 0.004 0.000 0.264 528 G C 0.172 175.027 174.900 -0.075 0.000 0.975 528 G CA 0.556 45.577 45.100 -0.132 0.000 0.642 528 G HN 0.592 8.882 8.290 -0.000 0.000 0.536 529 N N 1.316 119.937 118.700 -0.133 0.000 2.399 529 N HA 0.264 5.007 4.740 0.004 0.000 0.250 529 N C 0.003 175.427 175.510 -0.143 0.000 1.272 529 N CA -0.189 52.806 53.050 -0.091 0.000 0.928 529 N CB 0.315 38.745 38.487 -0.094 0.000 1.158 529 N HN 0.183 8.563 8.380 -0.000 0.000 0.463 530 D N 1.425 121.757 120.400 -0.114 0.000 2.506 530 D HA 0.061 4.704 4.640 0.004 0.000 0.234 530 D C -1.814 174.252 176.300 -0.391 0.000 1.143 530 D CA -0.320 53.503 54.000 -0.294 0.000 0.871 530 D CB 0.100 40.887 40.800 -0.022 0.000 1.190 530 D HN 0.292 8.662 8.370 -0.000 0.000 0.459 531 P HA 0.107 4.527 4.420 -0.000 0.000 0.274 531 P C -0.696 176.372 177.300 -0.387 0.000 1.231 531 P CA -0.278 62.436 63.100 -0.644 0.000 0.790 531 P CB 0.921 31.818 31.700 -1.339 0.000 0.951 532 E N 1.234 121.255 120.200 -0.299 0.000 2.343 532 E HA 0.532 4.885 4.350 0.004 0.000 0.270 532 E C -0.714 175.588 176.600 -0.496 0.000 0.895 532 E CA -1.145 55.041 56.400 -0.358 0.000 0.767 532 E CB 1.328 30.816 29.700 -0.353 0.000 1.248 532 E HN 0.270 8.630 8.360 -0.000 0.000 0.440 533 L N 2.059 122.918 121.223 -0.607 0.000 2.349 533 L HA 0.420 4.762 4.340 0.004 0.000 0.275 533 L C -0.927 175.378 176.870 -0.941 0.000 1.115 533 L CA -0.231 54.292 54.840 -0.528 0.000 0.820 533 L CB 0.134 42.002 42.059 -0.319 0.000 1.135 533 L HN 0.500 8.730 8.230 -0.000 0.000 0.445 534 F N 0.872 120.630 119.950 -0.321 0.000 2.588 534 F HA 0.377 4.907 4.527 0.004 0.000 0.310 534 F C -0.040 175.577 175.800 -0.305 0.000 1.082 534 F CA -0.695 56.995 58.000 -0.515 0.000 0.929 534 F CB 1.760 40.181 39.000 -0.965 0.000 1.254 534 F HN 0.346 8.646 8.300 -0.000 0.000 0.455 535 Q N 3.013 122.773 119.800 -0.067 0.000 2.257 535 Q HA 0.528 4.871 4.340 0.004 0.000 0.255 535 Q C -0.758 175.384 176.000 0.238 0.000 0.920 535 Q CA -0.611 55.244 55.803 0.086 0.000 0.927 535 Q CB 1.209 30.018 28.738 0.119 0.000 1.229 535 Q HN 0.676 8.946 8.270 -0.000 0.000 0.433 536 I N 6.201 126.928 120.570 0.262 0.000 2.618 536 I HA 0.095 4.268 4.170 0.004 0.000 0.284 536 I C -1.949 174.297 176.117 0.214 0.000 1.146 536 I CA -1.870 59.605 61.300 0.292 0.000 1.425 536 I CB 0.508 38.592 38.000 0.139 0.000 1.383 536 I HN 0.478 8.688 8.210 -0.000 0.000 0.562 537 P HA 0.047 4.467 4.420 -0.000 0.000 0.263 537 P C -2.060 175.301 177.300 0.103 0.000 1.195 537 P CA -0.884 62.304 63.100 0.146 0.000 0.762 537 P CB 0.118 31.888 31.700 0.117 0.000 0.799 538 P HA -0.223 4.197 4.420 -0.000 0.000 0.216 538 P C 1.367 178.707 177.300 0.067 0.000 1.150 538 P CA 1.414 64.567 63.100 0.088 0.000 0.843 538 P CB -0.201 31.553 31.700 0.090 0.000 0.787 539 E N -0.634 119.602 120.200 0.059 0.000 2.409 539 E HA -0.133 4.220 4.350 0.004 0.000 0.198 539 E C 1.366 177.988 176.600 0.036 0.000 1.024 539 E CA 0.963 57.389 56.400 0.043 0.000 0.861 539 E CB -0.866 28.856 29.700 0.038 0.000 0.788 539 E HN 0.209 8.569 8.360 -0.000 0.000 0.521 540 L N 0.969 122.216 121.223 0.040 0.000 2.509 540 L HA 0.095 4.438 4.340 0.004 0.000 0.222 540 L C 0.615 177.505 176.870 0.033 0.000 1.123 540 L CA 0.365 55.223 54.840 0.029 0.000 0.856 540 L CB 0.449 42.519 42.059 0.018 0.000 0.985 540 L HN -0.104 8.126 8.230 -0.000 0.000 0.456 541 V N 1.624 121.562 119.914 0.040 0.000 2.304 541 V HA 0.181 4.303 4.120 0.004 0.000 0.262 541 V C 0.025 176.153 176.094 0.056 0.000 1.061 541 V CA -0.781 61.543 62.300 0.040 0.000 0.872 541 V CB 0.970 32.816 31.823 0.039 0.000 1.077 541 V HN -0.003 8.187 8.190 -0.000 0.000 0.480 542 L N 5.520 126.779 121.223 0.060 0.000 2.360 542 L HA 0.427 4.769 4.340 0.004 0.000 0.276 542 L C 0.173 177.083 176.870 0.066 0.000 1.121 542 L CA 0.826 55.693 54.840 0.046 0.000 0.845 542 L CB 0.397 42.477 42.059 0.034 0.000 1.143 542 L HN 0.635 8.865 8.230 -0.000 0.000 0.452 543 E N 3.301 123.519 120.200 0.030 0.000 2.312 543 E HA 0.566 4.918 4.350 0.004 0.000 0.267 543 E C -1.493 175.064 176.600 -0.072 0.000 0.894 543 E CA -0.965 55.455 56.400 0.033 0.000 0.773 543 E CB 2.516 32.264 29.700 0.080 0.000 1.241 543 E HN 0.364 8.724 8.360 -0.000 0.000 0.432 544 V N 3.467 123.313 119.914 -0.114 0.000 2.376 544 V HA 0.302 4.424 4.120 0.004 0.000 0.287 544 V C -2.326 173.746 176.094 -0.037 0.000 1.015 544 V CA -2.025 60.161 62.300 -0.189 0.000 0.834 544 V CB 1.222 32.709 31.823 -0.560 0.000 1.001 544 V HN 0.539 8.729 8.190 -0.000 0.000 0.428 545 P HA 0.240 4.660 4.420 -0.000 0.000 0.271 545 P C -0.765 176.580 177.300 0.075 0.000 1.216 545 P CA -0.101 63.002 63.100 0.005 0.000 0.771 545 P CB 0.730 32.430 31.700 0.000 0.000 0.864 546 I N 4.332 124.987 120.570 0.141 0.000 2.315 546 I HA 0.340 4.512 4.170 0.004 0.000 0.291 546 I C 1.107 177.403 176.117 0.299 0.000 1.006 546 I CA -0.426 61.019 61.300 0.242 0.000 1.265 546 I CB 0.431 38.647 38.000 0.359 0.000 1.387 546 I HN 0.445 8.655 8.210 -0.000 0.000 0.475 547 R N 5.206 125.842 120.500 0.227 0.000 2.912 547 R HA 0.529 4.872 4.340 0.004 0.000 0.262 547 R C -1.098 175.235 176.300 0.054 0.000 1.057 547 R CA -0.691 55.551 56.100 0.238 0.000 0.981 547 R CB 2.007 32.431 30.300 0.207 0.000 1.201 547 R HN 0.574 8.844 8.270 -0.000 0.000 0.484 548 H N 1.420 120.376 119.070 -0.190 0.000 2.492 548 H HA 0.291 4.850 4.556 0.004 0.000 0.345 548 H C -1.726 173.313 175.328 -0.481 0.000 1.136 548 H CA -2.028 53.749 56.048 -0.452 0.000 1.202 548 H CB 2.437 31.840 29.762 -0.599 0.000 1.524 548 H HN 0.316 8.596 8.280 -0.000 0.000 0.506 549 P HA -0.080 4.340 4.420 -0.000 0.000 0.218 549 P C 0.545 177.548 177.300 -0.496 0.000 1.149 549 P CA 1.278 63.704 63.100 -1.124 0.000 0.817 549 P CB 0.742 31.603 31.700 -1.399 0.000 0.785 550 K N -2.032 118.176 120.400 -0.321 0.000 2.329 550 K HA 0.145 4.467 4.320 0.004 0.000 0.198 550 K C 0.240 176.756 176.600 -0.141 0.000 1.085 550 K CA 0.142 56.280 56.287 -0.247 0.000 0.961 550 K CB 0.224 32.490 32.500 -0.389 0.000 0.971 550 K HN 0.032 8.282 8.250 -0.000 0.000 0.502 551 F N 2.156 122.047 119.950 -0.098 0.000 2.375 551 F HA 0.111 4.640 4.527 0.004 0.000 0.362 551 F C 1.102 176.624 175.800 -0.464 0.000 1.129 551 F CA -1.536 56.149 58.000 -0.525 0.000 1.154 551 F CB 0.841 39.133 39.000 -1.180 0.000 1.205 551 F HN -0.012 8.288 8.300 -0.000 0.000 0.513 552 D N 3.747 124.088 120.400 -0.097 0.000 2.269 552 D HA -0.146 4.496 4.640 0.004 0.000 0.208 552 D C 1.964 178.292 176.300 0.047 0.000 0.963 552 D CA 0.914 54.912 54.000 -0.003 0.000 0.864 552 D CB 0.007 40.848 40.800 0.068 0.000 0.936 552 D HN 0.629 8.999 8.370 -0.000 0.000 0.505 553 W N -0.604 120.792 121.300 0.159 0.000 2.699 553 W HA -0.032 4.630 4.660 0.004 0.000 0.249 553 W C 1.181 177.763 176.519 0.106 0.000 1.280 553 W CA -0.425 56.974 57.345 0.089 0.000 1.345 553 W CB -1.208 28.259 29.460 0.013 0.000 1.128 553 W HN -0.079 8.101 8.180 -0.000 0.000 0.642 554 F N 3.915 123.715 119.950 -0.250 0.000 2.126 554 F HA -0.245 4.285 4.527 0.004 0.000 0.299 554 F C 2.703 178.548 175.800 0.074 0.000 1.096 554 F CA 3.062 60.984 58.000 -0.130 0.000 1.255 554 F CB -0.234 38.602 39.000 -0.273 0.000 0.997 554 F HN -0.158 8.142 8.300 -0.000 0.000 0.479 555 K N -0.617 119.946 120.400 0.270 0.000 2.147 555 K HA -0.174 4.149 4.320 0.004 0.000 0.205 555 K C 1.182 177.855 176.600 0.122 0.000 1.049 555 K CA 1.792 58.199 56.287 0.201 0.000 0.936 555 K CB -0.696 31.899 32.500 0.158 0.000 0.722 555 K HN 0.238 8.488 8.250 -0.000 0.000 0.446 556 D N 1.492 121.971 120.400 0.131 0.000 2.371 556 D HA -0.025 4.617 4.640 0.004 0.000 0.221 556 D C 1.819 178.152 176.300 0.056 0.000 0.986 556 D CA 0.520 54.580 54.000 0.099 0.000 0.899 556 D CB 0.009 40.882 40.800 0.121 0.000 0.902 556 D HN 0.271 8.641 8.370 -0.000 0.000 0.530 557 L N 0.094 121.320 121.223 0.006 0.000 2.353 557 L HA -0.052 4.291 4.340 0.004 0.000 0.220 557 L C 1.722 178.591 176.870 -0.002 0.000 1.133 557 L CA 0.783 55.585 54.840 -0.063 0.000 0.798 557 L CB -0.535 41.366 42.059 -0.264 0.000 0.922 557 L HN 0.111 8.341 8.230 -0.000 0.000 0.445 558 G N 0.329 109.147 108.800 0.030 0.000 2.153 558 G HA2 -0.287 3.676 3.960 0.004 0.000 0.252 558 G HA3 -0.287 3.676 3.960 0.004 0.000 0.252 558 G C 0.184 175.114 174.900 0.050 0.000 0.994 558 G CA -0.046 45.095 45.100 0.067 0.000 0.698 558 G HN 0.261 8.551 8.290 -0.000 0.000 0.521 559 L N -0.117 121.096 121.223 -0.016 0.000 2.417 559 L HA 0.633 4.976 4.340 0.004 0.000 0.268 559 L C 0.796 177.527 176.870 -0.231 0.000 1.158 559 L CA -0.032 54.736 54.840 -0.119 0.000 0.819 559 L CB 1.005 42.971 42.059 -0.155 0.000 1.112 559 L HN 0.491 8.721 8.230 -0.000 0.000 0.458 560 K N 1.242 121.308 120.400 -0.556 0.000 2.522 560 K HA 0.569 4.892 4.320 0.004 0.000 0.275 560 K C -1.766 174.900 176.600 0.110 0.000 1.006 560 K CA -1.073 55.068 56.287 -0.244 0.000 0.890 560 K CB 2.379 34.655 32.500 -0.374 0.000 1.475 560 K HN 0.540 8.790 8.250 -0.000 0.000 0.441 561 W N 1.559 122.889 121.300 0.051 0.000 3.075 561 W HA 0.351 5.013 4.660 0.005 0.000 0.334 561 W C -1.272 175.369 176.519 0.204 0.000 1.243 561 W CA -0.851 56.603 57.345 0.182 0.000 1.170 561 W CB 1.808 31.277 29.460 0.016 0.000 1.452 561 W HN 0.714 8.894 8.180 -0.000 0.000 0.572 562 Y N 0.097 120.335 120.300 -0.103 0.000 2.316 562 Y HA 0.591 5.143 4.550 0.004 0.000 0.324 562 Y C 0.970 177.086 175.900 0.360 0.000 1.267 562 Y CA -0.053 58.063 58.100 0.027 0.000 1.311 562 Y CB 0.300 38.651 38.460 -0.182 0.000 1.267 562 Y HN 0.423 8.703 8.280 -0.000 0.000 0.516 563 G N 0.883 109.936 108.800 0.423 0.000 2.603 563 G HA2 0.031 3.994 3.960 0.004 0.000 0.214 563 G HA3 0.031 3.994 3.960 0.004 0.000 0.214 563 G C -0.337 174.917 174.900 0.590 0.000 1.140 563 G CA -0.006 45.404 45.100 0.516 0.000 0.800 563 G HN 0.527 8.817 8.290 -0.000 0.000 0.533 564 L N 2.776 124.300 121.223 0.502 0.000 2.272 564 L HA 0.488 4.830 4.340 0.004 0.000 0.284 564 L C -2.364 174.669 176.870 0.272 0.000 1.045 564 L CA -2.741 52.288 54.840 0.314 0.000 0.842 564 L CB 1.468 43.645 42.059 0.197 0.000 1.224 564 L HN -0.182 8.048 8.230 -0.000 0.000 0.430 565 P HA 0.367 4.787 4.420 -0.000 0.000 0.287 565 P C -1.379 175.822 177.300 -0.166 0.000 1.294 565 P CA -0.361 62.629 63.100 -0.183 0.000 0.776 565 P CB 1.519 32.720 31.700 -0.832 0.000 0.889 566 A N 4.208 126.922 122.820 -0.177 0.000 2.651 566 A HA 0.381 4.704 4.320 0.004 0.000 0.290 566 A C -0.490 176.834 177.584 -0.433 0.000 1.185 566 A CA -0.607 51.252 52.037 -0.297 0.000 0.746 566 A CB 0.678 19.530 19.000 -0.247 0.000 1.213 566 A HN 0.291 8.441 8.150 -0.000 0.000 0.429 567 V N 2.878 122.344 119.914 -0.745 0.000 2.470 567 V HA 0.246 4.369 4.120 0.004 0.000 0.276 567 V C 1.283 176.935 176.094 -0.736 0.000 1.040 567 V CA 1.187 63.012 62.300 -0.791 0.000 1.008 567 V CB 1.095 32.281 31.823 -1.062 0.000 0.990 567 V HN 1.081 9.271 8.190 -0.000 0.000 0.477 568 S N 2.064 117.537 115.700 -0.378 0.000 2.603 568 S HA 0.055 4.528 4.470 0.004 0.000 0.232 568 S C 0.853 175.402 174.600 -0.086 0.000 1.016 568 S CA -0.028 58.040 58.200 -0.219 0.000 0.976 568 S CB -0.103 62.996 63.200 -0.168 0.000 0.921 568 S HN 0.812 9.122 8.310 -0.000 0.000 0.516 569 N N 1.033 119.685 118.700 -0.081 0.000 2.203 569 N HA 0.296 5.038 4.740 0.004 0.000 0.207 569 N C 0.023 175.571 175.510 0.064 0.000 1.130 569 N CA -0.291 52.749 53.050 -0.017 0.000 0.861 569 N CB -0.225 38.233 38.487 -0.048 0.000 1.005 569 N HN 0.376 8.756 8.380 -0.000 0.000 0.507 570 M N 0.348 120.022 119.600 0.124 0.000 2.494 570 M HA 0.387 4.870 4.480 0.004 0.000 0.300 570 M C -0.619 175.833 176.300 0.253 0.000 1.189 570 M CA -0.941 54.491 55.300 0.221 0.000 0.982 570 M CB 2.023 34.803 32.600 0.301 0.000 1.534 570 M HN 0.026 8.316 8.290 -0.000 0.000 0.488 571 L N 2.161 123.527 121.223 0.239 0.000 2.341 571 L HA 0.541 4.883 4.340 0.004 0.000 0.278 571 L C -1.534 175.459 176.870 0.204 0.000 1.005 571 L CA -0.955 54.003 54.840 0.197 0.000 0.818 571 L CB 1.448 43.569 42.059 0.104 0.000 1.259 571 L HN 0.563 8.793 8.230 -0.000 0.000 0.418 572 L N 4.935 126.279 121.223 0.201 0.000 2.265 572 L HA 0.451 4.794 4.340 0.004 0.000 0.289 572 L C -0.413 176.480 176.870 0.039 0.000 1.033 572 L CA 0.201 55.042 54.840 0.002 0.000 0.814 572 L CB 1.291 43.367 42.059 0.028 0.000 1.203 572 L HN 0.720 8.950 8.230 -0.000 0.000 0.423 573 E N 5.893 126.034 120.200 -0.099 0.000 2.156 573 E HA 0.540 4.893 4.350 0.004 0.000 0.279 573 E C -1.437 175.083 176.600 -0.133 0.000 0.965 573 E CA -0.504 55.852 56.400 -0.073 0.000 0.789 573 E CB 0.936 30.588 29.700 -0.080 0.000 1.098 573 E HN 0.736 9.096 8.360 -0.000 0.000 0.397 574 I N 3.837 124.333 120.570 -0.124 0.000 2.500 574 I HA 0.314 4.487 4.170 0.004 0.000 0.286 574 I C 0.629 176.491 176.117 -0.425 0.000 1.063 574 I CA -0.716 60.370 61.300 -0.357 0.000 1.062 574 I CB 2.016 39.783 38.000 -0.388 0.000 1.223 574 I HN 0.885 9.095 8.210 -0.000 0.000 0.435 575 G N 4.137 112.668 108.800 -0.449 0.000 2.321 575 G HA2 -0.115 3.848 3.960 0.004 0.000 0.287 575 G HA3 -0.115 3.848 3.960 0.004 0.000 0.287 575 G C 1.025 175.967 174.900 0.069 0.000 1.018 575 G CA 0.750 45.795 45.100 -0.090 0.000 0.855 575 G HN 1.605 9.895 8.290 -0.000 0.000 0.507 576 G N -2.079 106.714 108.800 -0.011 0.000 2.199 576 G HA2 -0.231 3.732 3.960 0.004 0.000 0.254 576 G HA3 -0.231 3.732 3.960 0.004 0.000 0.254 576 G C 0.494 175.358 174.900 -0.059 0.000 0.982 576 G CA 0.494 45.598 45.100 0.007 0.000 0.632 576 G HN 1.310 9.600 8.290 -0.000 0.000 0.529 577 L N 0.833 121.968 121.223 -0.148 0.000 2.375 577 L HA 0.543 4.885 4.340 0.004 0.000 0.271 577 L C 0.310 176.969 176.870 -0.351 0.000 1.107 577 L CA -0.448 54.196 54.840 -0.326 0.000 0.806 577 L CB 0.999 42.747 42.059 -0.519 0.000 1.146 577 L HN 0.165 8.395 8.230 -0.000 0.000 0.447 578 E N 2.912 122.846 120.200 -0.442 0.000 2.114 578 E HA 0.307 4.660 4.350 0.004 0.000 0.266 578 E C -1.406 174.933 176.600 -0.435 0.000 0.896 578 E CA -0.323 55.899 56.400 -0.296 0.000 0.750 578 E CB 1.236 30.846 29.700 -0.151 0.000 1.121 578 E HN 0.294 8.654 8.360 -0.000 0.000 0.413 579 F N 2.092 122.020 119.950 -0.037 0.000 2.351 579 F HA 0.069 4.599 4.527 0.004 0.000 0.362 579 F C 1.616 177.460 175.800 0.072 0.000 1.131 579 F CA -0.419 57.585 58.000 0.007 0.000 1.187 579 F CB 0.911 39.897 39.000 -0.024 0.000 1.434 579 F HN 0.414 8.714 8.300 -0.000 0.000 0.553 580 S N 1.289 117.103 115.700 0.189 0.000 2.522 580 S HA 0.239 4.711 4.470 0.004 0.000 0.227 580 S C 0.793 175.526 174.600 0.221 0.000 0.986 580 S CA 0.205 58.509 58.200 0.174 0.000 0.929 580 S CB 0.065 63.335 63.200 0.117 0.000 0.769 580 S HN 0.464 8.774 8.310 -0.000 0.000 0.529 581 A N 1.028 124.034 122.820 0.310 0.000 2.323 581 A HA 0.598 4.920 4.320 0.004 0.000 0.305 581 A C -0.074 177.785 177.584 0.458 0.000 1.275 581 A CA -0.672 51.578 52.037 0.355 0.000 0.804 581 A CB 0.263 19.466 19.000 0.340 0.000 1.152 581 A HN 0.997 9.147 8.150 -0.000 0.000 0.487 582 C N 0.373 119.891 119.300 0.364 0.000 3.327 582 C HA 0.478 4.941 4.460 0.004 0.000 0.192 582 C C -2.999 172.177 174.990 0.311 0.000 1.603 582 C CA -2.047 57.164 59.018 0.323 0.000 1.222 582 C CB -0.645 27.298 27.740 0.338 0.000 1.981 582 C HN 0.515 8.745 8.230 -0.000 0.000 0.563 583 P HA 0.277 4.697 4.420 -0.000 0.000 0.264 583 P C -0.447 176.907 177.300 0.091 0.000 1.183 583 P CA 0.941 64.047 63.100 0.010 0.000 0.763 583 P CB 0.069 31.731 31.700 -0.063 0.000 0.807 584 F N -0.367 119.527 119.950 -0.094 0.000 2.613 584 F HA 0.840 5.370 4.527 0.004 0.000 0.314 584 F C -0.576 175.140 175.800 -0.139 0.000 1.075 584 F CA -1.217 56.734 58.000 -0.082 0.000 0.945 584 F CB 1.545 40.361 39.000 -0.306 0.000 1.310 584 F HN 0.349 8.649 8.300 -0.000 0.000 0.467 585 S N -0.075 115.687 115.700 0.104 0.000 2.537 585 S HA 0.904 5.377 4.470 0.004 0.000 0.270 585 S C -0.824 173.739 174.600 -0.061 0.000 1.142 585 S CA -0.134 58.066 58.200 0.000 0.000 0.870 585 S CB 1.412 64.696 63.200 0.140 0.000 1.112 585 S HN 1.515 9.825 8.310 -0.000 0.000 0.466 586 G N 0.365 109.079 108.800 -0.142 0.000 3.382 586 G HA2 0.755 4.718 3.960 0.004 0.000 0.183 586 G HA3 0.755 4.718 3.960 0.004 0.000 0.183 586 G C -1.416 173.498 174.900 0.025 0.000 1.246 586 G CA -0.306 44.654 45.100 -0.234 0.000 0.828 586 G HN 1.152 9.442 8.290 -0.000 0.000 0.728 587 W N -1.506 119.802 121.300 0.014 0.000 3.062 587 W HA 0.802 5.464 4.660 0.004 0.000 0.336 587 W C -1.519 175.003 176.519 0.004 0.000 1.224 587 W CA -2.143 55.224 57.345 0.037 0.000 1.159 587 W CB 0.482 30.013 29.460 0.118 0.000 1.454 587 W HN 0.433 8.613 8.180 -0.000 0.000 0.569 588 Y N 2.477 122.976 120.300 0.331 0.000 2.336 588 Y HA 0.263 4.816 4.550 0.004 0.000 0.331 588 Y C 0.970 176.941 175.900 0.119 0.000 1.211 588 Y CA -0.603 57.569 58.100 0.118 0.000 1.346 588 Y CB 1.236 39.667 38.460 -0.048 0.000 1.271 588 Y HN 0.402 8.682 8.280 -0.000 0.000 0.538 589 M N 2.267 122.021 119.600 0.257 0.000 2.233 589 M HA 0.296 4.778 4.480 0.004 0.000 0.355 589 M C 1.164 177.477 176.300 0.021 0.000 1.191 589 M CA 0.098 55.483 55.300 0.143 0.000 1.101 589 M CB 1.152 33.813 32.600 0.101 0.000 1.592 589 M HN 0.897 9.187 8.290 -0.000 0.000 0.461 590 G N 1.302 110.073 108.800 -0.049 0.000 2.469 590 G HA2 -0.262 3.701 3.960 0.004 0.000 0.220 590 G HA3 -0.262 3.701 3.960 0.004 0.000 0.220 590 G C 1.187 175.951 174.900 -0.227 0.000 1.136 590 G CA 1.543 46.526 45.100 -0.196 0.000 0.759 590 G HN 0.888 9.178 8.290 -0.000 0.000 0.562 591 T N -0.571 113.889 114.554 -0.157 0.000 2.833 591 T HA -0.071 4.281 4.350 0.004 0.000 0.269 591 T C 1.937 176.497 174.700 -0.233 0.000 1.054 591 T CA 1.608 63.575 62.100 -0.221 0.000 1.135 591 T CB -0.328 68.373 68.868 -0.278 0.000 0.869 591 T HN 0.533 8.773 8.240 -0.000 0.000 0.466 592 E N 1.114 121.200 120.200 -0.189 0.000 2.097 592 E HA -0.090 4.263 4.350 0.004 0.000 0.196 592 E C 2.112 178.463 176.600 -0.415 0.000 1.000 592 E CA 1.587 57.882 56.400 -0.176 0.000 0.804 592 E CB -0.418 29.314 29.700 0.054 0.000 0.740 592 E HN 0.623 8.983 8.360 -0.000 0.000 0.454 593 I N 0.270 120.423 120.570 -0.695 0.000 2.270 593 I HA -0.050 4.123 4.170 0.004 0.000 0.239 593 I C 2.636 178.244 176.117 -0.848 0.000 1.080 593 I CA 0.989 61.603 61.300 -1.143 0.000 1.383 593 I CB -0.601 36.549 38.000 -1.417 0.000 1.097 593 I HN 0.095 8.305 8.210 -0.000 0.000 0.420 594 G N 0.718 109.235 108.800 -0.473 0.000 2.408 594 G HA2 -0.111 3.852 3.960 0.004 0.000 0.217 594 G HA3 -0.111 3.852 3.960 0.004 0.000 0.217 594 G C 1.629 176.485 174.900 -0.072 0.000 1.150 594 G CA 0.916 45.928 45.100 -0.148 0.000 0.776 594 G HN 0.205 8.495 8.290 -0.000 0.000 0.542 595 V N 0.537 120.359 119.914 -0.153 0.000 2.326 595 V HA 0.024 4.147 4.120 0.004 0.000 0.238 595 V C 2.855 178.889 176.094 -0.101 0.000 1.038 595 V CA 1.184 63.416 62.300 -0.113 0.000 1.032 595 V CB -0.368 31.360 31.823 -0.160 0.000 0.675 595 V HN 0.140 8.330 8.190 -0.000 0.000 0.467 596 R N 0.923 121.332 120.500 -0.152 0.000 2.055 596 R HA -0.005 4.337 4.340 0.004 0.000 0.228 596 R C 2.054 178.301 176.300 -0.088 0.000 1.143 596 R CA 1.338 57.371 56.100 -0.112 0.000 0.945 596 R CB -1.373 28.858 30.300 -0.116 0.000 0.841 596 R HN 0.469 8.739 8.270 -0.000 0.000 0.429 597 N N 0.535 119.094 118.700 -0.236 0.000 2.120 597 N HA -0.129 4.614 4.740 0.004 0.000 0.188 597 N C 1.970 177.487 175.510 0.011 0.000 1.024 597 N CA 1.313 54.218 53.050 -0.241 0.000 0.852 597 N CB -0.424 37.545 38.487 -0.864 0.000 1.003 597 N HN 0.408 8.788 8.380 -0.000 0.000 0.424 598 Y N -0.782 119.467 120.300 -0.084 0.000 2.314 598 Y HA 0.034 4.587 4.550 0.004 0.000 0.294 598 Y C 1.930 177.893 175.900 0.105 0.000 1.119 598 Y CA 0.222 58.353 58.100 0.053 0.000 1.179 598 Y CB 0.291 38.749 38.460 -0.003 0.000 1.025 598 Y HN 0.068 8.348 8.280 -0.000 0.000 0.541 599 C N -0.898 118.520 119.300 0.197 0.000 3.065 599 C HA 0.156 4.619 4.460 0.004 0.000 0.285 599 C C 0.211 175.247 174.990 0.076 0.000 1.257 599 C CA -0.717 58.379 59.018 0.129 0.000 1.691 599 C CB -0.649 27.142 27.740 0.085 0.000 2.089 599 C HN 0.243 8.473 8.230 -0.000 0.000 0.630 600 D N 1.668 122.104 120.400 0.060 0.000 2.506 600 D HA -0.015 4.627 4.640 0.004 0.000 0.234 600 D C 0.811 177.145 176.300 0.057 0.000 1.143 600 D CA 0.610 54.633 54.000 0.037 0.000 0.871 600 D CB 0.347 41.164 40.800 0.029 0.000 1.190 600 D HN 0.399 8.769 8.370 -0.000 0.000 0.459 601 N N 0.031 118.753 118.700 0.038 0.000 2.223 601 N HA -0.128 4.615 4.740 0.004 0.000 0.185 601 N C 1.070 176.603 175.510 0.038 0.000 1.016 601 N CA 0.657 53.732 53.050 0.042 0.000 0.863 601 N CB 0.131 38.637 38.487 0.031 0.000 0.983 601 N HN 0.120 8.500 8.380 -0.000 0.000 0.429 602 S N -0.226 115.494 115.700 0.032 0.000 2.603 602 S HA 0.176 4.649 4.470 0.004 0.000 0.220 602 S C 0.788 175.402 174.600 0.023 0.000 0.967 602 S CA 0.227 58.442 58.200 0.025 0.000 0.920 602 S CB 0.192 63.407 63.200 0.025 0.000 0.773 602 S HN 0.204 8.514 8.310 -0.000 0.000 0.529 603 R N -0.542 119.984 120.500 0.043 0.000 3.066 603 R HA 0.361 4.704 4.340 0.004 0.000 0.143 603 R C 0.783 177.097 176.300 0.023 0.000 1.187 603 R CA -0.563 55.569 56.100 0.053 0.000 0.722 603 R CB -0.955 29.436 30.300 0.152 0.000 1.366 603 R HN 0.146 8.416 8.270 -0.000 0.000 0.421 604 Y N 1.562 121.978 120.300 0.194 0.000 2.333 604 Y HA -0.082 4.470 4.550 0.004 0.000 0.290 604 Y C 0.777 176.758 175.900 0.134 0.000 1.144 604 Y CA 1.562 59.779 58.100 0.195 0.000 1.228 604 Y CB -0.143 38.516 38.460 0.332 0.000 0.985 604 Y HN 0.562 8.842 8.280 -0.000 0.000 0.542 605 N N 0.752 119.605 118.700 0.256 0.000 2.681 605 N HA -0.205 4.537 4.740 0.004 0.000 0.259 605 N C 0.276 175.879 175.510 0.154 0.000 1.066 605 N CA 0.410 53.558 53.050 0.164 0.000 0.717 605 N CB -1.063 37.487 38.487 0.105 0.000 0.885 605 N HN 0.628 9.008 8.380 -0.000 0.000 0.547 606 I N -2.404 118.264 120.570 0.164 0.000 4.018 606 I HA 0.113 4.285 4.170 0.004 0.000 0.337 606 I C 1.690 177.881 176.117 0.124 0.000 1.327 606 I CA -0.499 60.869 61.300 0.113 0.000 1.100 606 I CB -0.012 38.017 38.000 0.047 0.000 1.025 606 I HN 0.184 8.394 8.210 -0.000 0.000 0.396 607 L N 1.213 122.532 121.223 0.159 0.000 2.013 607 L HA -0.176 4.167 4.340 0.004 0.000 0.212 607 L C 2.713 179.757 176.870 0.290 0.000 1.073 607 L CA 1.833 56.799 54.840 0.209 0.000 0.753 607 L CB -0.443 41.714 42.059 0.162 0.000 0.890 607 L HN 0.374 8.604 8.230 -0.000 0.000 0.432 608 E N -0.282 120.073 120.200 0.258 0.000 2.031 608 E HA -0.302 4.050 4.350 0.004 0.000 0.193 608 E C 2.033 178.656 176.600 0.038 0.000 0.994 608 E CA 1.558 58.069 56.400 0.184 0.000 0.800 608 E CB -0.111 29.654 29.700 0.108 0.000 0.752 608 E HN 0.476 8.836 8.360 -0.000 0.000 0.447 609 E N 0.716 120.927 120.200 0.018 0.000 2.118 609 E HA -0.174 4.178 4.350 0.004 0.000 0.195 609 E C 2.112 178.662 176.600 -0.083 0.000 0.992 609 E CA 1.088 57.456 56.400 -0.053 0.000 0.804 609 E CB 0.181 29.855 29.700 -0.042 0.000 0.741 609 E HN 0.013 8.373 8.360 -0.000 0.000 0.458 610 V N 0.992 120.911 119.914 0.008 0.000 2.307 610 V HA -0.208 3.915 4.120 0.004 0.000 0.245 610 V C 2.436 178.553 176.094 0.038 0.000 1.045 610 V CA 1.762 64.102 62.300 0.067 0.000 1.024 610 V CB -0.649 31.301 31.823 0.213 0.000 0.651 610 V HN 0.458 8.648 8.190 -0.000 0.000 0.449 611 A N -0.743 122.139 122.820 0.103 0.000 2.015 611 A HA -0.175 4.148 4.320 0.004 0.000 0.219 611 A C 2.286 179.796 177.584 -0.123 0.000 1.163 611 A CA 1.481 53.571 52.037 0.087 0.000 0.646 611 A CB -0.365 18.826 19.000 0.320 0.000 0.806 611 A HN 0.490 8.640 8.150 -0.000 0.000 0.448 612 K N -0.037 120.248 120.400 -0.191 0.000 2.009 612 K HA -0.136 4.186 4.320 0.004 0.000 0.210 612 K C 1.693 178.080 176.600 -0.355 0.000 1.049 612 K CA 1.436 57.565 56.287 -0.264 0.000 0.929 612 K CB -0.186 32.172 32.500 -0.236 0.000 0.714 612 K HN 0.248 8.498 8.250 -0.000 0.000 0.440 613 K N 0.407 120.499 120.400 -0.514 0.000 2.362 613 K HA -0.045 4.278 4.320 0.004 0.000 0.200 613 K C 1.775 177.801 176.600 -0.956 0.000 1.046 613 K CA 0.983 56.697 56.287 -0.956 0.000 0.952 613 K CB -0.055 31.470 32.500 -1.625 0.000 0.753 613 K HN 0.289 8.539 8.250 -0.000 0.000 0.466 614 M N 0.119 119.426 119.600 -0.489 0.000 2.561 614 M HA -0.029 4.453 4.480 0.004 0.000 0.238 614 M C -0.219 175.971 176.300 -0.183 0.000 1.131 614 M CA 0.199 55.349 55.300 -0.250 0.000 1.046 614 M CB -0.125 32.444 32.600 -0.051 0.000 1.532 614 M HN 0.004 8.294 8.290 -0.000 0.000 0.497 615 D N 1.327 121.596 120.400 -0.219 0.000 2.837 615 D HA -0.164 4.478 4.640 0.004 0.000 0.230 615 D C -0.672 175.565 176.300 -0.106 0.000 1.152 615 D CA 0.480 54.383 54.000 -0.162 0.000 0.736 615 D CB -1.000 39.721 40.800 -0.132 0.000 1.084 615 D HN 0.323 8.693 8.370 -0.000 0.000 0.429 616 L N -0.000 121.170 121.223 -0.088 0.000 2.464 616 L HA 0.185 4.527 4.340 0.004 0.000 0.264 616 L C 1.097 177.909 176.870 -0.097 0.000 1.199 616 L CA -0.277 54.547 54.840 -0.027 0.000 0.818 616 L CB 0.297 42.406 42.059 0.084 0.000 1.102 616 L HN 0.083 8.313 8.230 -0.000 0.000 0.473 617 D N 2.102 122.477 120.400 -0.041 0.000 2.346 617 D HA 0.081 4.723 4.640 0.004 0.000 0.260 617 D C 0.378 176.565 176.300 -0.190 0.000 1.252 617 D CA 0.376 54.328 54.000 -0.079 0.000 0.895 617 D CB 0.954 41.752 40.800 -0.002 0.000 1.097 617 D HN 0.387 8.757 8.370 -0.000 0.000 0.489 618 M N 2.810 122.162 119.600 -0.413 0.000 2.371 618 M HA 0.139 4.622 4.480 0.004 0.000 0.246 618 M C 1.539 177.600 176.300 -0.398 0.000 1.103 618 M CA -0.072 54.709 55.300 -0.866 0.000 1.010 618 M CB 0.605 32.560 32.600 -1.074 0.000 1.457 618 M HN 0.163 8.453 8.290 -0.000 0.000 0.486 619 R N 1.565 121.964 120.500 -0.168 0.000 2.307 619 R HA 0.024 4.367 4.340 0.004 0.000 0.199 619 R C -0.191 176.132 176.300 0.039 0.000 1.000 619 R CA 0.668 56.733 56.100 -0.058 0.000 1.023 619 R CB 0.074 30.344 30.300 -0.051 0.000 0.908 619 R HN 0.286 8.556 8.270 -0.000 0.000 0.473 620 K N -0.993 119.473 120.400 0.110 0.000 2.553 620 K HA 0.173 4.495 4.320 0.004 0.000 0.250 620 K C 0.323 177.094 176.600 0.286 0.000 0.953 620 K CA -0.478 55.906 56.287 0.163 0.000 0.800 620 K CB 1.760 34.319 32.500 0.099 0.000 1.243 620 K HN -0.149 8.101 8.250 -0.000 0.000 0.435 621 T N -1.534 113.163 114.554 0.239 0.000 2.897 621 T HA -0.208 4.145 4.350 0.004 0.000 0.271 621 T C 1.652 176.394 174.700 0.071 0.000 1.084 621 T CA 1.760 63.947 62.100 0.145 0.000 1.123 621 T CB -0.464 68.427 68.868 0.039 0.000 0.865 621 T HN 0.628 8.868 8.240 -0.000 0.000 0.496 622 S N 1.672 117.428 115.700 0.092 0.000 2.561 622 S HA -0.004 4.468 4.470 0.004 0.000 0.225 622 S C 2.074 176.722 174.600 0.080 0.000 0.977 622 S CA 0.559 58.795 58.200 0.061 0.000 0.926 622 S CB -0.677 62.553 63.200 0.050 0.000 0.769 622 S HN 0.768 9.078 8.310 -0.000 0.000 0.533 623 S N 1.877 117.662 115.700 0.140 0.000 2.522 623 S HA 0.202 4.674 4.470 0.004 0.000 0.227 623 S C 0.969 175.649 174.600 0.134 0.000 0.986 623 S CA 0.201 58.492 58.200 0.151 0.000 0.929 623 S CB -0.976 62.350 63.200 0.211 0.000 0.769 623 S HN 0.599 8.909 8.310 -0.000 0.000 0.529 624 L N 0.750 122.015 121.223 0.070 0.000 3.717 624 L HA -0.173 4.169 4.340 0.004 0.000 0.411 624 L C 1.630 178.502 176.870 0.004 0.000 1.233 624 L CA 0.703 55.526 54.840 -0.027 0.000 0.917 624 L CB -2.522 39.536 42.059 -0.001 0.000 1.902 624 L HN 0.744 8.974 8.230 -0.000 0.000 0.894 625 W N 0.030 121.345 121.300 0.026 0.000 2.363 625 W HA -0.154 4.509 4.660 0.004 0.000 0.296 625 W C 1.749 178.291 176.519 0.039 0.000 1.212 625 W CA 1.322 58.684 57.345 0.029 0.000 1.260 625 W CB -0.710 28.759 29.460 0.015 0.000 1.131 625 W HN 0.257 8.437 8.180 -0.000 0.000 0.530 626 K N 1.068 121.025 120.400 -0.738 0.000 2.057 626 K HA -0.176 4.147 4.320 0.004 0.000 0.207 626 K C 1.530 178.003 176.600 -0.211 0.000 1.049 626 K CA 2.441 58.341 56.287 -0.645 0.000 0.931 626 K CB -0.343 31.606 32.500 -0.918 0.000 0.714 626 K HN 0.056 8.306 8.250 -0.000 0.000 0.440 627 D N 0.483 120.777 120.400 -0.175 0.000 2.144 627 D HA -0.149 4.494 4.640 0.004 0.000 0.199 627 D C 1.937 178.250 176.300 0.021 0.000 0.984 627 D CA 1.018 54.979 54.000 -0.064 0.000 0.834 627 D CB -0.011 40.755 40.800 -0.056 0.000 0.955 627 D HN 0.219 8.589 8.370 -0.000 0.000 0.465 628 Q N 0.233 120.072 119.800 0.065 0.000 2.050 628 Q HA -0.079 4.264 4.340 0.004 0.000 0.202 628 Q C 2.330 178.434 176.000 0.174 0.000 0.980 628 Q CA 1.338 57.219 55.803 0.130 0.000 0.840 628 Q CB -0.194 28.641 28.738 0.162 0.000 0.898 628 Q HN 0.321 8.591 8.270 -0.000 0.000 0.424 629 A N 0.934 123.871 122.820 0.194 0.000 1.902 629 A HA -0.175 4.148 4.320 0.004 0.000 0.217 629 A C 2.061 179.770 177.584 0.209 0.000 1.181 629 A CA 1.054 53.236 52.037 0.241 0.000 0.623 629 A CB -0.631 18.533 19.000 0.273 0.000 0.818 629 A HN 0.323 8.473 8.150 -0.000 0.000 0.443 630 L N 0.077 121.376 121.223 0.127 0.000 2.012 630 L HA -0.152 4.191 4.340 0.004 0.000 0.210 630 L C 2.430 179.363 176.870 0.105 0.000 1.073 630 L CA 2.062 56.958 54.840 0.094 0.000 0.748 630 L CB -0.574 41.497 42.059 0.019 0.000 0.891 630 L HN 0.175 8.405 8.230 -0.000 0.000 0.431 631 V N -0.320 119.657 119.914 0.106 0.000 2.343 631 V HA -0.228 3.895 4.120 0.004 0.000 0.247 631 V C 2.613 178.793 176.094 0.143 0.000 1.051 631 V CA 1.740 64.106 62.300 0.110 0.000 1.036 631 V CB -0.718 31.170 31.823 0.108 0.000 0.654 631 V HN 0.456 8.646 8.190 -0.000 0.000 0.451 632 E N -0.047 120.278 120.200 0.209 0.000 2.110 632 E HA -0.155 4.198 4.350 0.004 0.000 0.193 632 E C 2.146 178.881 176.600 0.225 0.000 0.988 632 E CA 1.263 57.833 56.400 0.282 0.000 0.804 632 E CB -0.277 29.660 29.700 0.396 0.000 0.745 632 E HN 0.579 8.939 8.360 -0.000 0.000 0.458 633 I N 1.669 122.390 120.570 0.252 0.000 2.252 633 I HA -0.242 3.930 4.170 0.004 0.000 0.245 633 I C 2.089 178.279 176.117 0.121 0.000 1.102 633 I CA 0.807 62.265 61.300 0.265 0.000 1.385 633 I CB -0.235 37.978 38.000 0.355 0.000 1.064 633 I HN 0.050 8.260 8.210 -0.000 0.000 0.414 634 N N 0.705 119.459 118.700 0.091 0.000 2.309 634 N HA -0.100 4.642 4.740 0.004 0.000 0.182 634 N C 1.952 177.465 175.510 0.005 0.000 1.018 634 N CA 1.268 54.337 53.050 0.033 0.000 0.876 634 N CB 0.012 38.513 38.487 0.024 0.000 0.972 634 N HN 0.380 8.760 8.380 -0.000 0.000 0.434 635 I N 1.185 121.745 120.570 -0.016 0.000 2.202 635 I HA -0.194 3.978 4.170 0.004 0.000 0.242 635 I C 2.453 178.463 176.117 -0.179 0.000 1.091 635 I CA 0.656 61.892 61.300 -0.108 0.000 1.368 635 I CB -0.242 37.647 38.000 -0.184 0.000 1.058 635 I HN 0.032 8.242 8.210 -0.000 0.000 0.410 636 A N 0.417 123.091 122.820 -0.244 0.000 1.908 636 A HA -0.167 4.155 4.320 0.004 0.000 0.218 636 A C 2.424 179.981 177.584 -0.045 0.000 1.181 636 A CA 1.826 53.678 52.037 -0.308 0.000 0.627 636 A CB -0.983 17.508 19.000 -0.848 0.000 0.818 636 A HN 0.242 8.392 8.150 -0.000 0.000 0.445 637 V N -0.055 119.862 119.914 0.005 0.000 2.295 637 V HA -0.258 3.864 4.120 0.004 0.000 0.246 637 V C 2.584 178.710 176.094 0.053 0.000 1.049 637 V CA 2.045 64.382 62.300 0.062 0.000 1.024 637 V CB -0.749 31.042 31.823 -0.053 0.000 0.648 637 V HN 0.567 8.757 8.190 -0.000 0.000 0.447 638 L N -1.391 119.832 121.223 0.001 0.000 2.056 638 L HA -0.196 4.146 4.340 0.004 0.000 0.207 638 L C 2.500 179.425 176.870 0.092 0.000 1.078 638 L CA 1.924 56.775 54.840 0.018 0.000 0.749 638 L CB -0.736 41.329 42.059 0.010 0.000 0.901 638 L HN 0.407 8.637 8.230 -0.000 0.000 0.433 639 Y N 0.438 120.703 120.300 -0.059 0.000 2.165 639 Y HA -0.283 4.269 4.550 0.004 0.000 0.286 639 Y C 2.724 178.619 175.900 -0.008 0.000 1.155 639 Y CA 1.729 59.782 58.100 -0.078 0.000 1.164 639 Y CB -0.263 38.081 38.460 -0.193 0.000 0.978 639 Y HN 0.061 8.341 8.280 -0.000 0.000 0.513 640 S N -0.045 115.647 115.700 -0.013 0.000 2.355 640 S HA -0.131 4.342 4.470 0.004 0.000 0.222 640 S C 1.764 176.349 174.600 -0.025 0.000 1.031 640 S CA 1.350 59.514 58.200 -0.061 0.000 0.993 640 S CB -0.640 62.636 63.200 0.126 0.000 0.859 640 S HN 0.428 8.738 8.310 -0.000 0.000 0.453 641 F N 1.961 121.858 119.950 -0.089 0.000 2.075 641 F HA -0.110 4.420 4.527 0.004 0.000 0.297 641 F C 2.669 178.413 175.800 -0.094 0.000 1.113 641 F CA 1.184 59.153 58.000 -0.053 0.000 1.218 641 F CB -0.892 38.107 39.000 -0.001 0.000 0.984 641 F HN 0.184 8.484 8.300 -0.000 0.000 0.472 642 Q N -0.500 119.345 119.800 0.074 0.000 2.112 642 Q HA -0.197 4.146 4.340 0.004 0.000 0.206 642 Q C 2.382 178.307 176.000 -0.125 0.000 0.987 642 Q CA 2.110 57.894 55.803 -0.031 0.000 0.858 642 Q CB -0.412 28.308 28.738 -0.030 0.000 0.905 642 Q HN 0.252 8.522 8.270 -0.000 0.000 0.420 643 S N 0.608 116.152 115.700 -0.260 0.000 2.399 643 S HA -0.116 4.357 4.470 0.004 0.000 0.231 643 S C 0.864 175.347 174.600 -0.194 0.000 1.022 643 S CA 1.212 59.227 58.200 -0.309 0.000 0.983 643 S CB -0.045 62.817 63.200 -0.562 0.000 0.803 643 S HN 0.332 8.643 8.310 -0.000 0.000 0.480 644 D N 0.532 120.827 120.400 -0.174 0.000 2.328 644 D HA 0.161 4.804 4.640 0.004 0.000 0.221 644 D C 0.022 176.253 176.300 -0.115 0.000 1.072 644 D CA 0.110 54.023 54.000 -0.145 0.000 0.850 644 D CB 0.038 40.730 40.800 -0.181 0.000 0.922 644 D HN 0.288 8.658 8.370 -0.000 0.000 0.516 645 K N -0.511 119.833 120.400 -0.094 0.000 3.125 645 K HA -0.132 4.191 4.320 0.004 0.000 0.268 645 K C -0.760 175.805 176.600 -0.058 0.000 1.078 645 K CA 0.110 56.356 56.287 -0.068 0.000 0.775 645 K CB -1.761 30.699 32.500 -0.066 0.000 1.253 645 K HN 0.023 8.273 8.250 -0.000 0.000 0.486 646 V N 1.384 121.271 119.914 -0.045 0.000 2.398 646 V HA 0.130 4.253 4.120 0.004 0.000 0.286 646 V C 0.832 177.011 176.094 0.141 0.000 1.026 646 V CA -0.633 61.668 62.300 0.002 0.000 0.868 646 V CB 1.797 33.530 31.823 -0.150 0.000 0.982 646 V HN 0.223 8.413 8.190 -0.000 0.000 0.443 647 T N 6.689 121.282 114.554 0.066 0.000 2.905 647 T HA 0.350 4.703 4.350 0.004 0.000 0.299 647 T C -0.228 174.564 174.700 0.153 0.000 1.024 647 T CA 0.939 63.009 62.100 -0.049 0.000 1.151 647 T CB 0.032 68.705 68.868 -0.326 0.000 0.987 647 T HN 0.565 8.805 8.240 -0.000 0.000 0.535 648 I N 2.514 123.128 120.570 0.072 0.000 3.004 648 I HA 0.673 4.846 4.170 0.004 0.000 0.305 648 I C -1.492 174.679 176.117 0.091 0.000 1.312 648 I CA -1.007 60.372 61.300 0.131 0.000 0.992 648 I CB 2.058 40.061 38.000 0.004 0.000 1.282 648 I HN 0.427 8.637 8.210 -0.000 0.000 0.449 649 V N 4.533 124.554 119.914 0.178 0.000 2.709 649 V HA 0.472 4.595 4.120 0.004 0.000 0.308 649 V C -1.208 174.951 176.094 0.109 0.000 1.062 649 V CA -0.325 62.072 62.300 0.161 0.000 0.901 649 V CB 2.200 34.198 31.823 0.291 0.000 1.003 649 V HN 0.882 9.072 8.190 -0.000 0.000 0.425 650 D N 3.873 124.317 120.400 0.073 0.000 2.354 650 D HA 0.182 4.825 4.640 0.004 0.000 0.247 650 D C 1.216 177.530 176.300 0.023 0.000 1.138 650 D CA 0.182 54.211 54.000 0.048 0.000 0.958 650 D CB 0.538 41.343 40.800 0.007 0.000 1.144 650 D HN 0.729 9.099 8.370 -0.000 0.000 0.458 651 H N 0.103 119.112 119.070 -0.102 0.000 2.462 651 H HA -0.109 4.450 4.556 0.004 0.000 0.292 651 H C 0.994 176.210 175.328 -0.186 0.000 1.049 651 H CA 1.168 57.116 56.048 -0.167 0.000 1.334 651 H CB -0.553 29.062 29.762 -0.246 0.000 1.404 651 H HN 0.523 8.803 8.280 -0.000 0.000 0.544 652 H N 0.878 119.754 119.070 -0.322 0.000 2.299 652 H HA -0.087 4.472 4.556 0.004 0.000 0.302 652 H C 2.472 177.782 175.328 -0.030 0.000 1.078 652 H CA 1.531 57.484 56.048 -0.157 0.000 1.323 652 H CB -0.219 29.421 29.762 -0.203 0.000 1.381 652 H HN 0.414 8.694 8.280 -0.000 0.000 0.498 653 S N 0.602 116.357 115.700 0.091 0.000 2.368 653 S HA -0.095 4.378 4.470 0.004 0.000 0.224 653 S C 2.416 177.088 174.600 0.119 0.000 1.029 653 S CA 1.106 59.364 58.200 0.096 0.000 0.988 653 S CB -0.276 62.973 63.200 0.081 0.000 0.838 653 S HN 0.455 8.765 8.310 -0.000 0.000 0.462 654 A N 0.892 123.784 122.820 0.119 0.000 1.930 654 A HA -0.046 4.277 4.320 0.004 0.000 0.217 654 A C 2.481 180.168 177.584 0.172 0.000 1.175 654 A CA 2.257 54.386 52.037 0.153 0.000 0.627 654 A CB -1.545 17.540 19.000 0.141 0.000 0.815 654 A HN 0.795 8.944 8.150 -0.000 0.000 0.443 655 T N -2.345 112.293 114.554 0.140 0.000 2.857 655 T HA -0.101 4.252 4.350 0.004 0.000 0.266 655 T C 1.742 176.573 174.700 0.218 0.000 1.048 655 T CA 1.359 63.565 62.100 0.176 0.000 1.139 655 T CB -0.297 68.640 68.868 0.114 0.000 0.874 655 T HN 0.591 8.831 8.240 -0.000 0.000 0.455 656 E N 1.088 121.389 120.200 0.168 0.000 2.077 656 E HA -0.136 4.217 4.350 0.004 0.000 0.193 656 E C 2.343 179.032 176.600 0.149 0.000 0.989 656 E CA 1.263 57.751 56.400 0.145 0.000 0.800 656 E CB -0.217 29.550 29.700 0.111 0.000 0.746 656 E HN 0.528 8.888 8.360 -0.000 0.000 0.452 657 S N 0.228 116.026 115.700 0.163 0.000 2.356 657 S HA -0.166 4.307 4.470 0.004 0.000 0.223 657 S C 1.516 176.239 174.600 0.205 0.000 1.032 657 S CA 1.165 59.463 58.200 0.164 0.000 1.005 657 S CB -0.482 62.818 63.200 0.167 0.000 0.867 657 S HN 0.383 8.693 8.310 -0.000 0.000 0.449 658 F N 2.351 122.375 119.950 0.122 0.000 2.126 658 F HA -0.151 4.379 4.527 0.004 0.000 0.299 658 F C 1.877 177.771 175.800 0.156 0.000 1.096 658 F CA 1.121 59.213 58.000 0.154 0.000 1.255 658 F CB -0.280 38.795 39.000 0.124 0.000 0.997 658 F HN 0.109 8.409 8.300 -0.000 0.000 0.479 659 I N 0.532 121.167 120.570 0.109 0.000 2.226 659 I HA -0.278 3.895 4.170 0.004 0.000 0.245 659 I C 2.235 178.315 176.117 -0.062 0.000 1.100 659 I CA 1.511 62.816 61.300 0.008 0.000 1.374 659 I CB -1.254 36.809 38.000 0.105 0.000 1.057 659 I HN 0.213 8.423 8.210 -0.000 0.000 0.413 660 K N -0.525 119.877 120.400 0.003 0.000 2.097 660 K HA -0.236 4.087 4.320 0.004 0.000 0.206 660 K C 2.174 178.771 176.600 -0.005 0.000 1.049 660 K CA 1.344 57.635 56.287 0.006 0.000 0.933 660 K CB -0.365 32.160 32.500 0.042 0.000 0.717 660 K HN 0.302 8.552 8.250 -0.000 0.000 0.442 661 H N 1.139 120.134 119.070 -0.125 0.000 2.321 661 H HA -0.071 4.487 4.556 0.004 0.000 0.300 661 H C 2.004 177.212 175.328 -0.200 0.000 1.087 661 H CA 1.989 57.949 56.048 -0.148 0.000 1.319 661 H CB -0.089 29.571 29.762 -0.170 0.000 1.379 661 H HN 0.064 8.344 8.280 -0.000 0.000 0.501 662 M N 0.145 119.434 119.600 -0.518 0.000 2.086 662 M HA -0.160 4.322 4.480 0.004 0.000 0.261 662 M C 1.883 178.098 176.300 -0.142 0.000 1.067 662 M CA 2.118 57.136 55.300 -0.470 0.000 1.116 662 M CB -0.039 32.261 32.600 -0.501 0.000 1.348 662 M HN 0.463 8.753 8.290 -0.000 0.000 0.407 663 E N -0.033 120.087 120.200 -0.133 0.000 2.077 663 E HA -0.239 4.113 4.350 0.004 0.000 0.193 663 E C 1.681 178.271 176.600 -0.016 0.000 0.989 663 E CA 1.435 57.793 56.400 -0.071 0.000 0.800 663 E CB -0.461 29.194 29.700 -0.076 0.000 0.746 663 E HN 0.558 8.918 8.360 -0.000 0.000 0.452 664 N N 1.127 119.798 118.700 -0.048 0.000 2.069 664 N HA -0.195 4.548 4.740 0.004 0.000 0.191 664 N C 1.710 177.201 175.510 -0.032 0.000 1.031 664 N CA 1.287 54.325 53.050 -0.021 0.000 0.852 664 N CB 0.037 38.530 38.487 0.010 0.000 1.018 664 N HN 0.093 8.473 8.380 -0.000 0.000 0.423 665 E N -0.553 119.568 120.200 -0.132 0.000 2.077 665 E HA -0.184 4.168 4.350 0.004 0.000 0.193 665 E C 1.917 178.464 176.600 -0.088 0.000 0.989 665 E CA 0.920 57.216 56.400 -0.172 0.000 0.800 665 E CB -0.500 28.961 29.700 -0.398 0.000 0.746 665 E HN 0.545 8.905 8.360 -0.000 0.000 0.452 666 Y N 1.100 121.326 120.300 -0.123 0.000 2.128 666 Y HA -0.211 4.341 4.550 0.004 0.000 0.284 666 Y C 2.684 178.557 175.900 -0.045 0.000 1.154 666 Y CA 1.686 59.751 58.100 -0.059 0.000 1.149 666 Y CB -0.262 38.170 38.460 -0.048 0.000 0.976 666 Y HN -0.027 8.253 8.280 -0.000 0.000 0.505 667 R N -0.925 119.635 120.500 0.099 0.000 2.066 667 R HA -0.136 4.207 4.340 0.004 0.000 0.232 667 R C 2.470 178.780 176.300 0.017 0.000 1.131 667 R CA 1.682 57.809 56.100 0.045 0.000 0.955 667 R CB -0.809 29.507 30.300 0.026 0.000 0.851 667 R HN 0.577 8.847 8.270 -0.000 0.000 0.432 668 C N -1.327 117.978 119.300 0.009 0.000 2.533 668 C HA 0.296 4.758 4.460 0.004 0.000 0.272 668 C C 2.102 177.087 174.990 -0.009 0.000 1.371 668 C CA -0.079 58.944 59.018 0.007 0.000 1.758 668 C CB -0.175 27.583 27.740 0.030 0.000 1.972 668 C HN 0.351 8.581 8.230 -0.000 0.000 0.522 669 R N -0.125 120.351 120.500 -0.039 0.000 2.453 669 R HA 0.314 4.656 4.340 0.004 0.000 0.233 669 R C 1.551 177.801 176.300 -0.083 0.000 0.895 669 R CA 0.924 56.986 56.100 -0.064 0.000 1.028 669 R CB 0.444 30.684 30.300 -0.100 0.000 1.255 669 R HN 0.633 8.903 8.270 -0.000 0.000 0.571 670 G N -0.045 108.699 108.800 -0.094 0.000 2.141 670 G HA2 -0.151 3.812 3.960 0.004 0.000 0.242 670 G HA3 -0.151 3.812 3.960 0.004 0.000 0.242 670 G C 0.087 174.847 174.900 -0.234 0.000 0.982 670 G CA 0.044 45.088 45.100 -0.094 0.000 0.662 670 G HN 0.787 9.077 8.290 -0.000 0.000 0.527 671 G N -2.357 106.173 108.800 -0.450 0.000 2.325 671 G HA2 0.546 4.509 3.960 0.004 0.000 0.297 671 G HA3 0.546 4.509 3.960 0.004 0.000 0.297 671 G C -0.946 173.605 174.900 -0.583 0.000 1.448 671 G CA 0.323 44.949 45.100 -0.791 0.000 0.838 671 G HN 1.786 10.076 8.290 -0.000 0.000 0.579 672 C N 2.516 121.520 119.300 -0.493 0.000 2.892 672 C HA 0.664 5.126 4.460 0.004 0.000 0.360 672 C C -2.472 172.429 174.990 -0.150 0.000 1.054 672 C CA -1.312 57.568 59.018 -0.229 0.000 1.326 672 C CB 0.741 28.375 27.740 -0.177 0.000 1.806 672 C HN 0.671 8.901 8.230 -0.000 0.000 0.490 673 P HA 0.383 4.803 4.420 -0.000 0.000 0.267 673 P C -0.590 176.616 177.300 -0.156 0.000 1.205 673 P CA 0.646 63.377 63.100 -0.614 0.000 0.765 673 P CB 1.078 32.182 31.700 -0.993 0.000 0.828 674 A N 2.363 125.172 122.820 -0.019 0.000 2.488 674 A HA 0.431 4.754 4.320 0.004 0.000 0.298 674 A C -1.218 176.443 177.584 0.128 0.000 1.044 674 A CA -0.535 51.584 52.037 0.136 0.000 0.693 674 A CB 1.357 20.566 19.000 0.347 0.000 1.272 674 A HN 0.450 8.600 8.150 -0.000 0.000 0.402 675 D N 1.840 122.307 120.400 0.113 0.000 2.454 675 D HA 0.177 4.819 4.640 0.004 0.000 0.225 675 D C 0.735 177.194 176.300 0.265 0.000 1.081 675 D CA -0.528 53.575 54.000 0.172 0.000 0.864 675 D CB 0.396 41.252 40.800 0.093 0.000 1.040 675 D HN 0.584 8.954 8.370 -0.000 0.000 0.517 676 W N 3.879 125.233 121.300 0.090 0.000 2.321 676 W HA -0.256 4.406 4.660 0.004 0.000 0.306 676 W C 1.689 178.249 176.519 0.069 0.000 1.217 676 W CA 1.181 58.561 57.345 0.058 0.000 1.257 676 W CB 0.038 29.508 29.460 0.016 0.000 1.145 676 W HN 0.307 8.487 8.180 -0.000 0.000 0.509 677 V N -0.292 119.953 119.914 0.551 0.000 2.453 677 V HA -0.323 3.800 4.120 0.004 0.000 0.252 677 V C 1.476 177.638 176.094 0.115 0.000 1.068 677 V CA 2.143 64.679 62.300 0.394 0.000 1.070 677 V CB -0.863 31.194 31.823 0.391 0.000 0.664 677 V HN 0.341 8.531 8.190 -0.000 0.000 0.461 678 W N -1.661 119.643 121.300 0.006 0.000 2.640 678 W HA 0.239 4.901 4.660 0.004 0.000 0.271 678 W C 2.174 178.603 176.519 -0.149 0.000 1.218 678 W CA -0.090 57.226 57.345 -0.050 0.000 1.382 678 W CB -0.176 29.278 29.460 -0.011 0.000 1.067 678 W HN 0.042 8.222 8.180 -0.000 0.000 0.590 679 I N 0.265 120.818 120.570 -0.028 0.000 2.315 679 I HA -0.111 4.062 4.170 0.004 0.000 0.248 679 I C 0.732 176.659 176.117 -0.316 0.000 1.117 679 I CA 0.901 62.053 61.300 -0.246 0.000 1.404 679 I CB -1.683 36.093 38.000 -0.374 0.000 1.071 679 I HN -0.387 7.823 8.210 -0.000 0.000 0.419 680 V N 3.691 123.324 119.914 -0.468 0.000 2.529 680 V HA 0.062 4.185 4.120 0.004 0.000 0.292 680 V C -1.894 174.024 176.094 -0.294 0.000 1.028 680 V CA -0.946 61.059 62.300 -0.491 0.000 1.074 680 V CB 0.076 31.341 31.823 -0.929 0.000 0.958 680 V HN 0.120 8.310 8.190 -0.000 0.000 0.481 681 P HA 0.158 4.578 4.420 -0.000 0.000 0.269 681 P C -1.950 175.229 177.300 -0.201 0.000 1.215 681 P CA -1.089 61.895 63.100 -0.192 0.000 0.780 681 P CB 0.177 31.773 31.700 -0.174 0.000 0.898 682 P HA 0.058 4.478 4.420 -0.000 0.000 0.253 682 P C -0.147 177.049 177.300 -0.172 0.000 1.260 682 P CA 0.895 63.886 63.100 -0.183 0.000 0.800 682 P CB 0.028 31.617 31.700 -0.185 0.000 1.162 683 M N -4.662 114.805 119.600 -0.222 0.000 2.550 683 M HA 0.554 5.037 4.480 0.004 0.000 0.292 683 M C -0.233 175.971 176.300 -0.160 0.000 1.221 683 M CA -0.655 54.533 55.300 -0.187 0.000 0.873 683 M CB 2.004 34.475 32.600 -0.215 0.000 1.727 683 M HN -0.372 7.918 8.290 -0.000 0.000 0.459 684 S N 0.553 116.208 115.700 -0.075 0.000 3.587 684 S HA -0.179 4.293 4.470 0.004 0.000 0.337 684 S C 1.135 175.715 174.600 -0.034 0.000 1.119 684 S CA 0.893 59.087 58.200 -0.011 0.000 0.976 684 S CB -1.940 61.327 63.200 0.112 0.000 0.922 684 S HN 1.232 9.542 8.310 -0.000 0.000 0.503 685 G N 2.250 111.002 108.800 -0.080 0.000 2.681 685 G HA2 -0.369 3.593 3.960 0.004 0.000 0.220 685 G HA3 -0.369 3.593 3.960 0.004 0.000 0.220 685 G C 1.452 176.238 174.900 -0.189 0.000 1.210 685 G CA 1.756 46.816 45.100 -0.067 0.000 0.783 685 G HN 1.339 9.629 8.290 -0.000 0.000 0.609 686 S N 0.670 116.013 115.700 -0.596 0.000 2.561 686 S HA 0.063 4.535 4.470 0.004 0.000 0.225 686 S C 2.093 176.679 174.600 -0.024 0.000 0.977 686 S CA 0.934 58.655 58.200 -0.799 0.000 0.926 686 S CB -0.373 62.072 63.200 -1.258 0.000 0.769 686 S HN 0.757 9.068 8.310 -0.000 0.000 0.533 687 I N 0.854 121.438 120.570 0.023 0.000 3.812 687 I HA 0.232 4.405 4.170 0.004 0.000 0.320 687 I C 0.546 176.791 176.117 0.213 0.000 1.276 687 I CA -0.243 61.138 61.300 0.134 0.000 1.164 687 I CB -0.667 37.403 38.000 0.116 0.000 1.009 687 I HN 0.198 8.408 8.210 -0.000 0.000 0.431 688 T N -1.485 113.191 114.554 0.203 0.000 2.867 688 T HA 0.449 4.802 4.350 0.004 0.000 0.282 688 T C -1.607 173.266 174.700 0.289 0.000 1.000 688 T CA -1.934 60.294 62.100 0.213 0.000 1.042 688 T CB 1.671 70.613 68.868 0.123 0.000 0.973 688 T HN -0.076 8.164 8.240 -0.000 0.000 0.465 689 P HA -0.032 4.388 4.420 -0.000 0.000 0.225 689 P C 1.837 179.338 177.300 0.336 0.000 1.156 689 P CA 0.636 63.921 63.100 0.308 0.000 0.787 689 P CB -0.337 31.486 31.700 0.204 0.000 0.802 690 V N -3.060 117.001 119.914 0.246 0.000 2.407 690 V HA -0.239 3.884 4.120 0.004 0.000 0.248 690 V C 2.351 178.525 176.094 0.134 0.000 1.055 690 V CA 1.405 63.808 62.300 0.172 0.000 1.049 690 V CB -2.344 29.494 31.823 0.025 0.000 0.662 690 V HN -0.098 8.092 8.190 -0.000 0.000 0.455 691 F N 1.708 121.632 119.950 -0.043 0.000 2.147 691 F HA -0.238 4.291 4.527 0.003 0.000 0.301 691 F C 2.473 178.396 175.800 0.204 0.000 1.084 691 F CA 2.472 60.459 58.000 -0.021 0.000 1.268 691 F CB -0.313 38.579 39.000 -0.180 0.000 1.009 691 F HN 0.285 8.585 8.300 -0.000 0.000 0.486 692 H N -1.336 118.050 119.070 0.527 0.000 2.539 692 H HA 0.099 4.657 4.556 0.004 0.000 0.269 692 H C 0.389 175.957 175.328 0.401 0.000 0.980 692 H CA 0.244 56.566 56.048 0.456 0.000 1.152 692 H CB -0.083 29.925 29.762 0.409 0.000 1.407 692 H HN 0.234 8.514 8.280 -0.000 0.000 0.564 693 Q N 2.169 122.239 119.800 0.450 0.000 2.322 693 Q HA 0.111 4.454 4.340 0.004 0.000 0.256 693 Q C -0.497 175.743 176.000 0.400 0.000 0.960 693 Q CA -0.281 55.741 55.803 0.366 0.000 0.934 693 Q CB 0.516 29.437 28.738 0.304 0.000 1.200 693 Q HN 0.248 8.518 8.270 -0.000 0.000 0.435 694 E N 3.712 124.098 120.200 0.310 0.000 2.414 694 E HA 0.137 4.489 4.350 0.004 0.000 0.263 694 E C -0.449 176.292 176.600 0.236 0.000 1.000 694 E CA 0.504 57.045 56.400 0.235 0.000 0.914 694 E CB 0.684 30.508 29.700 0.206 0.000 0.948 694 E HN 0.593 8.953 8.360 -0.000 0.000 0.444 695 M N 2.490 122.237 119.600 0.246 0.000 2.550 695 M HA 0.421 4.904 4.480 0.004 0.000 0.292 695 M C -1.121 175.312 176.300 0.222 0.000 1.221 695 M CA -0.673 54.793 55.300 0.276 0.000 0.873 695 M CB 1.893 34.702 32.600 0.348 0.000 1.727 695 M HN 0.254 8.544 8.290 -0.000 0.000 0.459 696 L N 1.631 123.000 121.223 0.243 0.000 2.356 696 L HA 0.522 4.865 4.340 0.004 0.000 0.277 696 L C -0.734 176.247 176.870 0.184 0.000 0.996 696 L CA -0.448 54.535 54.840 0.238 0.000 0.822 696 L CB 1.851 44.103 42.059 0.322 0.000 1.256 696 L HN 0.704 8.934 8.230 -0.000 0.000 0.413 697 N N 3.038 121.837 118.700 0.165 0.000 2.392 697 N HA 0.569 5.312 4.740 0.004 0.000 0.283 697 N C -1.723 173.880 175.510 0.155 0.000 1.003 697 N CA -0.387 52.695 53.050 0.054 0.000 0.892 697 N CB 1.339 39.865 38.487 0.065 0.000 1.193 697 N HN 0.493 8.873 8.380 -0.000 0.000 0.487 698 Y N -0.071 120.252 120.300 0.037 0.000 2.656 698 Y HA 0.462 5.014 4.550 0.004 0.000 0.334 698 Y C -1.322 174.583 175.900 0.008 0.000 1.179 698 Y CA -1.349 56.767 58.100 0.028 0.000 1.050 698 Y CB 0.830 39.319 38.460 0.049 0.000 1.308 698 Y HN 0.197 8.477 8.280 -0.000 0.000 0.456 699 R N 2.286 122.891 120.500 0.175 0.000 2.215 699 R HA 0.605 4.948 4.340 0.004 0.000 0.336 699 R C -1.241 175.121 176.300 0.103 0.000 0.996 699 R CA -0.548 55.590 56.100 0.064 0.000 0.847 699 R CB 1.009 31.329 30.300 0.033 0.000 1.127 699 R HN 0.625 8.895 8.270 -0.000 0.000 0.465 700 L N 2.044 123.297 121.223 0.051 0.000 2.344 700 L HA 0.528 4.870 4.340 0.004 0.000 0.272 700 L C 0.565 177.438 176.870 0.005 0.000 1.035 700 L CA -0.799 54.072 54.840 0.053 0.000 0.807 700 L CB 2.010 44.098 42.059 0.047 0.000 1.237 700 L HN 0.633 8.863 8.230 -0.000 0.000 0.442 701 T N -0.954 113.613 114.554 0.022 0.000 2.918 701 T HA 0.579 4.931 4.350 0.004 0.000 0.286 701 T C -2.629 172.104 174.700 0.056 0.000 1.026 701 T CA -2.235 59.869 62.100 0.005 0.000 1.031 701 T CB 1.624 70.499 68.868 0.011 0.000 1.046 701 T HN 0.208 8.448 8.240 -0.000 0.000 0.479 702 P HA 0.301 4.721 4.420 -0.000 0.000 0.269 702 P C -0.548 176.652 177.300 -0.168 0.000 1.217 702 P CA -0.187 62.857 63.100 -0.092 0.000 0.783 702 P CB 0.418 32.047 31.700 -0.119 0.000 0.898 703 S N 0.216 115.759 115.700 -0.261 0.000 2.550 703 S HA 0.653 5.126 4.470 0.004 0.000 0.270 703 S C -1.261 173.078 174.600 -0.434 0.000 1.145 703 S CA -0.840 57.193 58.200 -0.278 0.000 0.852 703 S CB 0.631 63.745 63.200 -0.144 0.000 1.119 703 S HN 0.109 8.418 8.310 -0.000 0.000 0.465 704 F N 1.500 121.367 119.950 -0.139 0.000 2.394 704 F HA 0.636 5.165 4.527 0.004 0.000 0.340 704 F C 1.004 176.695 175.800 -0.183 0.000 1.105 704 F CA -0.238 57.677 58.000 -0.142 0.000 1.124 704 F CB 1.204 40.090 39.000 -0.191 0.000 1.145 704 F HN 0.512 8.812 8.300 -0.000 0.000 0.505 705 E N 1.736 121.954 120.200 0.029 0.000 2.369 705 E HA 0.274 4.627 4.350 0.004 0.000 0.270 705 E C -1.220 175.348 176.600 -0.053 0.000 0.909 705 E CA -0.914 55.426 56.400 -0.100 0.000 0.775 705 E CB 2.041 31.717 29.700 -0.040 0.000 1.270 705 E HN 0.509 8.869 8.360 -0.000 0.000 0.445 706 Y N 0.840 121.151 120.300 0.019 0.000 2.357 706 Y HA 0.108 4.661 4.550 0.004 0.000 0.340 706 Y C 0.995 176.886 175.900 -0.016 0.000 1.260 706 Y CA -0.094 58.006 58.100 -0.001 0.000 1.425 706 Y CB 0.870 39.318 38.460 -0.020 0.000 1.326 706 Y HN 0.263 8.543 8.280 -0.000 0.000 0.580 707 Q N 0.813 120.700 119.800 0.146 0.000 2.456 707 Q HA 0.530 4.873 4.340 0.004 0.000 0.284 707 Q C -3.035 172.921 176.000 -0.074 0.000 1.061 707 Q CA -2.556 53.259 55.803 0.020 0.000 0.799 707 Q CB 1.413 30.149 28.738 -0.003 0.000 1.445 707 Q HN 0.289 8.559 8.270 -0.000 0.000 0.411 708 P HA 0.097 4.517 4.420 -0.000 0.000 0.271 708 P C -0.880 176.185 177.300 -0.392 0.000 1.218 708 P CA -0.193 62.770 63.100 -0.227 0.000 0.780 708 P CB 0.389 31.972 31.700 -0.195 0.000 0.901 709 D N 3.491 123.533 120.400 -0.597 0.000 2.488 709 D HA -0.024 4.619 4.640 0.004 0.000 0.238 709 D C -1.226 174.392 176.300 -1.138 0.000 1.138 709 D CA -0.731 52.610 54.000 -1.097 0.000 0.873 709 D CB 0.367 40.089 40.800 -1.798 0.000 1.183 709 D HN 0.258 8.628 8.370 -0.000 0.000 0.458 710 P HA -0.104 4.316 4.420 -0.000 0.000 0.223 710 P C 1.344 178.101 177.300 -0.906 0.000 1.151 710 P CA 0.869 63.371 63.100 -0.996 0.000 0.787 710 P CB -0.135 30.732 31.700 -1.388 0.000 0.788 711 W N 0.103 120.939 121.300 -0.774 0.000 2.525 711 W HA 0.069 4.732 4.660 0.004 0.000 0.259 711 W C 1.306 177.827 176.519 0.004 0.000 1.253 711 W CA 0.308 57.510 57.345 -0.237 0.000 1.262 711 W CB -2.062 27.428 29.460 0.050 0.000 1.122 711 W HN -0.164 8.016 8.180 -0.000 0.000 0.607 712 N N 0.425 118.959 118.700 -0.277 0.000 2.416 712 N HA -0.064 4.679 4.740 0.004 0.000 0.177 712 N C 1.621 177.099 175.510 -0.052 0.000 1.036 712 N CA 2.185 55.173 53.050 -0.104 0.000 0.901 712 N CB -0.329 38.025 38.487 -0.222 0.000 0.976 712 N HN 0.493 8.873 8.380 -0.000 0.000 0.444 713 T N -3.634 110.857 114.554 -0.106 0.000 2.964 713 T HA 0.054 4.406 4.350 0.004 0.000 0.249 713 T C 0.720 175.408 174.700 -0.020 0.000 1.000 713 T CA -0.201 61.860 62.100 -0.065 0.000 0.992 713 T CB -0.251 68.551 68.868 -0.110 0.000 1.087 713 T HN 0.064 8.304 8.240 -0.000 0.000 0.489 714 H N 1.692 120.693 119.070 -0.116 0.000 3.034 714 H HA 0.348 4.907 4.556 0.004 0.000 0.324 714 H C -0.531 174.730 175.328 -0.112 0.000 1.015 714 H CA -0.007 55.954 56.048 -0.146 0.000 1.429 714 H CB 0.325 29.968 29.762 -0.198 0.000 1.429 714 H HN 0.065 8.345 8.280 -0.000 0.000 0.585 715 V N 7.489 126.934 119.914 -0.783 0.000 2.353 715 V HA -0.002 4.120 4.120 0.004 0.000 0.264 715 V C -0.253 175.363 176.094 -0.796 0.000 1.049 715 V CA -0.391 61.594 62.300 -0.526 0.000 0.896 715 V CB -0.421 31.221 31.823 -0.302 0.000 1.025 715 V HN 0.750 8.940 8.190 -0.000 0.000 0.475 716 W N 5.437 126.594 121.300 -0.238 0.000 2.308 716 W HA 0.222 4.885 4.660 0.004 0.000 0.324 716 W C 1.375 177.876 176.519 -0.029 0.000 1.387 716 W CA -0.204 57.136 57.345 -0.009 0.000 1.250 716 W CB 0.582 30.104 29.460 0.104 0.000 1.257 716 W HN 0.523 8.703 8.180 -0.000 0.000 0.554 717 K N 2.516 123.036 120.400 0.200 0.000 2.242 717 K HA 0.347 4.670 4.320 0.004 0.000 0.200 717 K C 0.918 177.608 176.600 0.149 0.000 1.050 717 K CA 0.669 57.024 56.287 0.112 0.000 0.981 717 K CB 0.302 32.832 32.500 0.049 0.000 0.795 717 K HN 0.693 8.943 8.250 -0.000 0.000 0.477 718 G N 0.000 108.938 108.800 0.230 0.000 5.446 718 G HA2 0.000 3.963 3.960 0.004 0.000 0.244 718 G HA3 0.000 3.963 3.960 0.004 0.000 0.244 718 G CA 0.000 45.199 45.100 0.165 0.000 0.502 718 G HN 0.000 8.290 8.290 -0.000 0.000 0.925