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 3faw_1_A DATA FIRST_RESID 382 DATA SEQUENCE QVQLKDAQQT DLTSIQASFT TLDXXXKTEI LKELKVTDKN QNAIQISDIT DATA SEQUENCE LDTSKSLLII KGDFNPKQGH FNISYNGNNV TTRQSWEFKD QLYAYSGNLG DATA SEQUENCE AVLNQDGSKV EASLWSPSAD SVTMIIYDKD NQNRVVATTP LVKNNKGVWQ DATA SEQUENCE TILDTKLGIK NYTGYYYLYE IKRGKDKVKI LDPYAKSLAE WDSNTVNDDI DATA SEQUENCE KTAKAAFVNP SQLGPQNLSF AKIANFKGRQ DAVIYEAHVR DFTSDQSLDG DATA SEQUENCE KLKNQLGTFA AFSEKLDYLQ KLGVTHIQLL PVLSYFYVNE MDKSRSTAYT DATA SEQUENCE SSDNNYNWGY DPQSYFALSG MYSEKPKDPS ARIAELKQLI HDIHKRGMGV DATA SEQUENCE ILDVVYNHTA KTYLFEDIEP NYYHFMNEDG SPRESFGGGR LGTTHAMSRR DATA SEQUENCE VLVDSIKYLT SEFKVDGFRF DMMGDHDAAA IELAYKEAKA INPNMIMIGE DATA SEQUENCE GWRTFQGDQG KPVKPADQDW MKSTDTVGVF SDDIRNSLKS GFPNEGTPAF DATA SEQUENCE ITGGPQSLQG IFKNIKAQPG NFEADSPGDV VQYIAAHDNL TLHDVIAKSI DATA SEQUENCE NKDPKVAEED IHRRLRLGNV MILTSQGTAF IHSGQEYGRT KRLLNPDYMT DATA SEQUENCE KVSDDKLPNK ATLIEAVKEY PYFIHDSYDS SDAINHFDWA AATDNNKHPI DATA SEQUENCE STKTQAYTAG LITLRRSTDA FRKLSKAEID REVSLITEVG QGDIKEKDLV DATA SEQUENCE IAYQTIDSKG DIYAVFVNAD SKARNVLLGE KYKHLLKGQV IVDADQAGIK DATA SEQUENCE PISTPRGVHF EKDSLLIDPL TAIVIKVG 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 382 Q HA 0.000 nan 4.340 nan 0.000 0.214 382 Q C 0.000 176.058 176.000 0.097 0.000 1.003 382 Q CA 0.000 55.845 55.803 0.070 0.000 1.022 382 Q CB 0.000 28.768 28.738 0.050 0.000 1.108 383 V N 3.205 123.196 119.914 0.128 0.000 2.439 383 V HA 0.220 4.299 4.120 -0.068 0.000 0.271 383 V C 0.132 176.384 176.094 0.262 0.000 1.040 383 V CA 0.630 63.034 62.300 0.173 0.000 1.002 383 V CB 0.776 32.681 31.823 0.137 0.000 1.000 383 V HN 0.115 nan 8.190 nan 0.000 0.477 384 Q N 3.459 123.400 119.800 0.235 0.000 2.315 384 Q HA 0.482 4.782 4.340 -0.068 0.000 0.273 384 Q C -1.166 174.770 176.000 -0.107 0.000 1.053 384 Q CA -1.066 54.824 55.803 0.144 0.000 0.817 384 Q CB 3.008 31.796 28.738 0.083 0.000 1.326 384 Q HN 0.599 nan 8.270 nan 0.000 0.423 385 L N 2.286 123.297 121.223 -0.353 0.000 2.410 385 L HA 0.115 4.414 4.340 -0.068 0.000 0.273 385 L C 0.292 176.926 176.870 -0.395 0.000 1.152 385 L CA 1.047 55.400 54.840 -0.812 0.000 0.855 385 L CB 0.454 42.149 42.059 -0.607 0.000 1.129 385 L HN 0.639 nan 8.230 nan 0.000 0.463 386 K N 1.995 122.163 120.400 -0.386 0.000 2.273 386 K HA 0.243 4.523 4.320 -0.068 0.000 0.206 386 K C -0.547 175.965 176.600 -0.148 0.000 1.072 386 K CA 0.821 56.996 56.287 -0.187 0.000 0.953 386 K CB 0.365 32.791 32.500 -0.124 0.000 1.043 386 K HN 0.913 nan 8.250 nan 0.000 0.477 387 D N -1.643 118.658 120.400 -0.166 0.000 2.779 387 D HA 0.589 5.189 4.640 -0.068 0.000 0.331 387 D C -1.664 174.569 176.300 -0.111 0.000 1.331 387 D CA -1.062 52.873 54.000 -0.108 0.000 0.866 387 D CB 1.344 42.109 40.800 -0.058 0.000 1.409 387 D HN 0.082 nan 8.370 nan 0.000 0.486 388 A N -0.418 122.358 122.820 -0.073 0.000 2.589 388 A HA 0.681 4.960 4.320 -0.068 0.000 0.296 388 A C -1.824 175.732 177.584 -0.047 0.000 1.062 388 A CA -0.836 51.161 52.037 -0.066 0.000 0.686 388 A CB 1.880 20.833 19.000 -0.079 0.000 1.282 388 A HN 0.434 nan 8.150 nan 0.000 0.404 389 Q N 0.481 120.250 119.800 -0.052 0.000 2.359 389 Q HA 0.554 4.853 4.340 -0.068 0.000 0.274 389 Q C -0.815 175.129 176.000 -0.093 0.000 1.074 389 Q CA -0.383 55.397 55.803 -0.038 0.000 0.810 389 Q CB 2.289 31.019 28.738 -0.013 0.000 1.342 389 Q HN 0.736 nan 8.270 nan 0.000 0.427 390 Q N 0.686 120.435 119.800 -0.085 0.000 2.296 390 Q HA 0.318 4.617 4.340 -0.068 0.000 0.257 390 Q C 0.037 175.795 176.000 -0.404 0.000 0.942 390 Q CA 0.137 55.784 55.803 -0.260 0.000 0.939 390 Q CB 0.807 29.422 28.738 -0.204 0.000 1.198 390 Q HN 0.914 nan 8.270 nan 0.000 0.429 391 T N -0.304 113.973 114.554 -0.461 0.000 2.990 391 T HA 0.149 4.458 4.350 -0.068 0.000 0.249 391 T C -0.052 174.375 174.700 -0.455 0.000 1.039 391 T CA 0.560 62.451 62.100 -0.349 0.000 1.036 391 T CB 0.222 68.974 68.868 -0.194 0.000 0.994 391 T HN 0.727 nan 8.240 nan 0.000 0.489 392 D N -0.571 119.424 120.400 -0.674 0.000 2.838 392 D HA 0.286 4.885 4.640 -0.068 0.000 0.334 392 D C 0.924 176.977 176.300 -0.411 0.000 1.315 392 D CA -0.943 52.789 54.000 -0.446 0.000 0.917 392 D CB 0.205 40.946 40.800 -0.098 0.000 1.435 392 D HN -0.024 nan 8.370 nan 0.000 0.517 393 L N -0.770 120.465 121.223 0.020 0.000 2.127 393 L HA -0.032 4.267 4.340 -0.068 0.000 0.211 393 L C 1.552 178.453 176.870 0.052 0.000 1.089 393 L CA 2.024 56.937 54.840 0.121 0.000 0.757 393 L CB -0.551 41.591 42.059 0.138 0.000 0.899 393 L HN 0.755 nan 8.230 nan 0.000 0.434 394 T N -5.626 108.929 114.554 0.001 0.000 3.296 394 T HA 0.251 4.560 4.350 -0.068 0.000 0.285 394 T C 0.186 174.934 174.700 0.079 0.000 1.014 394 T CA -0.337 61.743 62.100 -0.033 0.000 0.920 394 T CB 0.492 69.304 68.868 -0.093 0.000 1.143 394 T HN 0.030 nan 8.240 nan 0.000 0.522 395 S N 0.544 116.318 115.700 0.123 0.000 2.572 395 S HA 0.724 5.153 4.470 -0.068 0.000 0.274 395 S C -1.470 173.071 174.600 -0.099 0.000 1.150 395 S CA -0.737 57.496 58.200 0.056 0.000 0.944 395 S CB 0.930 64.106 63.200 -0.039 0.000 1.071 395 S HN 0.454 nan 8.310 nan 0.000 0.479 396 I N 4.476 124.966 120.570 -0.134 0.000 2.499 396 I HA 0.353 4.482 4.170 -0.068 0.000 0.288 396 I C -0.466 175.574 176.117 -0.129 0.000 1.048 396 I CA -0.695 60.454 61.300 -0.251 0.000 1.062 396 I CB 2.174 39.871 38.000 -0.504 0.000 1.238 396 I HN 0.644 nan 8.210 nan 0.000 0.426 397 Q N 5.760 125.500 119.800 -0.100 0.000 2.303 397 Q HA 0.785 5.084 4.340 -0.068 0.000 0.257 397 Q C -0.966 175.018 176.000 -0.028 0.000 0.941 397 Q CA -0.787 54.990 55.803 -0.044 0.000 0.931 397 Q CB 2.159 30.876 28.738 -0.035 0.000 1.215 397 Q HN 0.657 nan 8.270 nan 0.000 0.437 398 A N 2.564 125.400 122.820 0.027 0.000 2.287 398 A HA 0.508 4.788 4.320 -0.068 0.000 0.317 398 A C -0.526 177.121 177.584 0.104 0.000 1.220 398 A CA -0.708 51.348 52.037 0.031 0.000 0.835 398 A CB 1.761 20.815 19.000 0.089 0.000 1.180 398 A HN 0.707 nan 8.150 nan 0.000 0.500 399 S N 1.946 117.634 115.700 -0.020 0.000 2.525 399 S HA 0.746 5.175 4.470 -0.068 0.000 0.278 399 S C -0.748 173.795 174.600 -0.095 0.000 1.234 399 S CA -0.182 58.034 58.200 0.027 0.000 1.058 399 S CB -0.114 63.080 63.200 -0.010 0.000 0.983 399 S HN 0.409 nan 8.310 nan 0.000 0.495 400 F N 1.200 121.107 119.950 -0.071 0.000 2.575 400 F HA 0.317 4.803 4.527 -0.068 0.000 0.330 400 F C 2.019 177.788 175.800 -0.051 0.000 1.056 400 F CA -0.618 57.332 58.000 -0.083 0.000 0.964 400 F CB 1.517 40.438 39.000 -0.132 0.000 1.258 400 F HN 0.719 nan 8.300 nan 0.000 0.484 401 T N -2.829 111.804 114.554 0.133 0.000 2.684 401 T HA -0.062 4.247 4.350 -0.068 0.000 0.267 401 T C 0.656 175.407 174.700 0.086 0.000 1.036 401 T CA 1.631 63.781 62.100 0.083 0.000 1.148 401 T CB -0.242 68.666 68.868 0.068 0.000 0.863 401 T HN 0.624 nan 8.240 nan 0.000 0.436 402 T N -1.138 113.480 114.554 0.106 0.000 2.886 402 T HA 0.522 4.831 4.350 -0.068 0.000 0.330 402 T C -0.804 173.889 174.700 -0.012 0.000 1.488 402 T CA -0.845 61.283 62.100 0.046 0.000 1.054 402 T CB 1.272 70.157 68.868 0.028 0.000 1.348 402 T HN 0.154 nan 8.240 nan 0.000 0.489 403 L N 2.139 123.321 121.223 -0.068 0.000 2.808 403 L HA 0.360 4.659 4.340 -0.068 0.000 0.246 403 L C 0.192 177.008 176.870 -0.090 0.000 1.153 403 L CA -0.387 54.364 54.840 -0.150 0.000 0.956 403 L CB 0.113 42.053 42.059 -0.200 0.000 1.270 403 L HN 0.683 nan 8.230 nan 0.000 0.528 409 T N 1.631 116.185 114.554 -0.001 0.000 2.708 409 T HA -0.089 4.220 4.350 -0.068 0.000 0.266 409 T C 1.171 175.881 174.700 0.017 0.000 1.037 409 T CA 1.740 63.844 62.100 0.007 0.000 1.146 409 T CB -0.152 68.718 68.868 0.003 0.000 0.865 409 T HN 0.312 nan 8.240 nan 0.000 0.435 410 E N 0.246 120.457 120.200 0.018 0.000 2.347 410 E HA 0.076 4.385 4.350 -0.068 0.000 0.196 410 E C 1.999 178.636 176.600 0.063 0.000 1.008 410 E CA 0.357 56.775 56.400 0.030 0.000 0.852 410 E CB -0.034 29.682 29.700 0.027 0.000 0.783 410 E HN 0.445 nan 8.360 nan 0.000 0.505 411 I N 0.222 120.837 120.570 0.075 0.000 2.867 411 I HA -0.080 4.049 4.170 -0.068 0.000 0.265 411 I C 1.578 177.784 176.117 0.150 0.000 1.162 411 I CA 0.453 61.850 61.300 0.161 0.000 1.471 411 I CB 0.361 38.402 38.000 0.068 0.000 1.123 411 I HN 0.101 nan 8.210 nan 0.000 0.440 412 L N 0.990 122.260 121.223 0.078 0.000 2.599 412 L HA -0.048 4.251 4.340 -0.068 0.000 0.230 412 L C 2.161 179.061 176.870 0.049 0.000 1.141 412 L CA 0.083 54.962 54.840 0.066 0.000 0.877 412 L CB -0.297 41.785 42.059 0.038 0.000 1.009 412 L HN 0.142 nan 8.230 nan 0.000 0.447 413 K N 0.372 120.795 120.400 0.039 0.000 1.986 413 K HA -0.315 3.965 4.320 -0.068 0.000 0.230 413 K C 1.781 178.388 176.600 0.012 0.000 1.048 413 K CA 2.154 58.454 56.287 0.022 0.000 1.008 413 K CB -0.395 32.108 32.500 0.005 0.000 0.737 413 K HN 0.096 nan 8.250 nan 0.000 0.447 414 E N 0.949 121.145 120.200 -0.007 0.000 2.230 414 E HA -0.021 4.288 4.350 -0.068 0.000 0.192 414 E C 0.170 176.757 176.600 -0.021 0.000 0.987 414 E CA 0.101 56.417 56.400 -0.139 0.000 0.841 414 E CB -0.006 29.387 29.700 -0.512 0.000 0.783 414 E HN 0.127 nan 8.360 nan 0.000 0.481 415 L N 1.696 123.035 121.223 0.194 0.000 2.410 415 L HA 0.231 4.530 4.340 -0.068 0.000 0.273 415 L C -0.719 176.247 176.870 0.160 0.000 1.144 415 L CA 0.703 55.720 54.840 0.295 0.000 0.863 415 L CB 0.386 42.638 42.059 0.322 0.000 1.140 415 L HN -0.103 nan 8.230 nan 0.000 0.463 416 K N 3.650 124.138 120.400 0.147 0.000 2.464 416 K HA 0.680 4.959 4.320 -0.068 0.000 0.253 416 K C -1.649 175.022 176.600 0.118 0.000 0.933 416 K CA -0.874 55.480 56.287 0.112 0.000 0.801 416 K CB 2.542 35.091 32.500 0.082 0.000 1.271 416 K HN 0.298 nan 8.250 nan 0.000 0.430 417 V N 1.728 121.718 119.914 0.126 0.000 2.540 417 V HA 0.504 4.583 4.120 -0.068 0.000 0.302 417 V C -0.198 176.006 176.094 0.183 0.000 1.035 417 V CA -0.652 61.735 62.300 0.144 0.000 0.873 417 V CB 1.736 33.650 31.823 0.152 0.000 0.992 417 V HN 1.021 nan 8.190 nan 0.000 0.428 418 T N -0.306 114.373 114.554 0.209 0.000 2.901 418 T HA 0.682 4.991 4.350 -0.068 0.000 0.293 418 T C -0.754 174.128 174.700 0.304 0.000 1.084 418 T CA -0.838 61.394 62.100 0.219 0.000 1.008 418 T CB 2.185 71.132 68.868 0.131 0.000 1.170 418 T HN 0.690 nan 8.240 nan 0.000 0.509 419 D N 0.052 120.593 120.400 0.235 0.000 2.511 419 D HA 0.213 4.812 4.640 -0.068 0.000 0.276 419 D C 1.414 177.681 176.300 -0.056 0.000 1.220 419 D CA -0.896 53.143 54.000 0.064 0.000 1.077 419 D CB 0.629 41.480 40.800 0.085 0.000 1.126 419 D HN 0.785 nan 8.370 nan 0.000 0.583 420 K N -0.870 119.428 120.400 -0.170 0.000 2.211 420 K HA -0.126 4.154 4.320 -0.068 0.000 0.204 420 K C 0.293 176.867 176.600 -0.043 0.000 1.047 420 K CA 1.012 57.233 56.287 -0.110 0.000 0.935 420 K CB -0.386 32.026 32.500 -0.147 0.000 0.728 420 K HN 0.148 nan 8.250 nan 0.000 0.452 421 N N 1.215 119.900 118.700 -0.024 0.000 2.279 421 N HA 0.032 4.731 4.740 -0.068 0.000 0.226 421 N C -0.667 174.854 175.510 0.017 0.000 1.126 421 N CA 0.131 53.180 53.050 -0.002 0.000 0.846 421 N CB 0.848 39.335 38.487 -0.000 0.000 1.050 421 N HN 0.292 nan 8.380 nan 0.000 0.502 422 Q N -1.303 118.513 119.800 0.027 0.000 2.416 422 Q HA -0.217 4.082 4.340 -0.068 0.000 0.235 422 Q C -0.905 175.128 176.000 0.055 0.000 0.773 422 Q CA 0.752 56.580 55.803 0.042 0.000 1.286 422 Q CB -2.083 26.674 28.738 0.032 0.000 1.556 422 Q HN 0.517 nan 8.270 nan 0.000 0.650 423 N N 0.368 119.106 118.700 0.063 0.000 2.499 423 N HA 0.509 5.208 4.740 -0.068 0.000 0.281 423 N C -0.218 175.353 175.510 0.102 0.000 1.098 423 N CA 0.108 53.201 53.050 0.071 0.000 0.979 423 N CB 0.883 39.408 38.487 0.064 0.000 1.121 423 N HN 0.327 nan 8.380 nan 0.000 0.466 424 A N 2.598 125.471 122.820 0.088 0.000 2.477 424 A HA 0.231 4.511 4.320 -0.068 0.000 0.246 424 A C -0.167 177.487 177.584 0.116 0.000 1.078 424 A CA -0.001 52.095 52.037 0.099 0.000 0.770 424 A CB -0.005 19.038 19.000 0.071 0.000 1.011 424 A HN 0.532 nan 8.150 nan 0.000 0.494 425 I N 1.788 122.446 120.570 0.147 0.000 2.441 425 I HA 0.260 4.389 4.170 -0.068 0.000 0.295 425 I C 0.432 176.604 176.117 0.091 0.000 0.994 425 I CA -0.317 61.069 61.300 0.142 0.000 1.144 425 I CB 1.370 39.518 38.000 0.246 0.000 1.314 425 I HN 0.855 nan 8.210 nan 0.000 0.445 426 Q N 5.266 125.081 119.800 0.025 0.000 2.296 426 Q HA 0.347 4.646 4.340 -0.068 0.000 0.262 426 Q C -0.726 175.258 176.000 -0.027 0.000 0.981 426 Q CA -0.245 55.558 55.803 -0.001 0.000 0.905 426 Q CB 0.821 29.543 28.738 -0.026 0.000 1.186 426 Q HN 0.501 nan 8.270 nan 0.000 0.399 427 I N 3.816 124.397 120.570 0.018 0.000 2.337 427 I HA 0.000 4.129 4.170 -0.068 0.000 0.291 427 I C 0.936 177.043 176.117 -0.017 0.000 1.046 427 I CA -0.134 61.182 61.300 0.027 0.000 1.324 427 I CB 1.293 39.337 38.000 0.074 0.000 1.409 427 I HN 0.765 nan 8.210 nan 0.000 0.494 428 S N 3.518 119.182 115.700 -0.060 0.000 2.371 428 S HA -0.068 4.361 4.470 -0.068 0.000 0.224 428 S C 0.404 174.987 174.600 -0.029 0.000 1.029 428 S CA 0.985 59.149 58.200 -0.060 0.000 0.978 428 S CB -0.069 63.072 63.200 -0.098 0.000 0.833 428 S HN 0.776 nan 8.310 nan 0.000 0.466 429 D N -1.340 119.052 120.400 -0.014 0.000 2.710 429 D HA 0.425 5.024 4.640 -0.068 0.000 0.276 429 D C -1.601 174.707 176.300 0.013 0.000 1.267 429 D CA -0.635 53.363 54.000 -0.003 0.000 0.772 429 D CB 1.113 41.905 40.800 -0.013 0.000 1.299 429 D HN 0.169 nan 8.370 nan 0.000 0.421 430 I N -2.067 118.508 120.570 0.007 0.000 2.828 430 I HA 0.787 4.916 4.170 -0.068 0.000 0.302 430 I C -1.023 175.086 176.117 -0.012 0.000 1.101 430 I CA -0.497 60.806 61.300 0.005 0.000 1.031 430 I CB 2.609 40.613 38.000 0.006 0.000 1.231 430 I HN 0.141 nan 8.210 nan 0.000 0.427 431 T N 5.172 119.714 114.554 -0.019 0.000 2.881 431 T HA 0.583 4.892 4.350 -0.068 0.000 0.290 431 T C -0.695 173.978 174.700 -0.045 0.000 1.000 431 T CA -0.375 61.708 62.100 -0.029 0.000 0.978 431 T CB 1.583 70.438 68.868 -0.022 0.000 0.997 431 T HN 0.338 nan 8.240 nan 0.000 0.443 432 L N 3.450 124.639 121.223 -0.057 0.000 2.264 432 L HA 0.412 4.711 4.340 -0.068 0.000 0.289 432 L C 0.317 177.152 176.870 -0.059 0.000 1.044 432 L CA -0.267 54.524 54.840 -0.081 0.000 0.807 432 L CB 0.846 42.847 42.059 -0.097 0.000 1.192 432 L HN 0.556 nan 8.230 nan 0.000 0.425 433 D N 1.296 121.663 120.400 -0.055 0.000 2.485 433 D HA 0.117 4.716 4.640 -0.068 0.000 0.229 433 D C 1.190 177.465 176.300 -0.041 0.000 1.101 433 D CA -0.051 53.926 54.000 -0.037 0.000 0.906 433 D CB 1.115 41.903 40.800 -0.022 0.000 1.019 433 D HN 0.686 nan 8.370 nan 0.000 0.516 434 T N -0.293 114.235 114.554 -0.043 0.000 2.951 434 T HA -0.138 4.171 4.350 -0.068 0.000 0.268 434 T C 1.826 176.512 174.700 -0.023 0.000 1.073 434 T CA 1.131 63.206 62.100 -0.042 0.000 1.134 434 T CB 0.092 68.936 68.868 -0.040 0.000 0.884 434 T HN 0.167 nan 8.240 nan 0.000 0.479 435 S N 1.553 117.244 115.700 -0.016 0.000 2.355 435 S HA -0.050 4.379 4.470 -0.068 0.000 0.222 435 S C 1.928 176.527 174.600 -0.001 0.000 1.031 435 S CA 0.988 59.184 58.200 -0.007 0.000 0.993 435 S CB -0.290 62.907 63.200 -0.005 0.000 0.859 435 S HN 0.628 nan 8.310 nan 0.000 0.453 436 K N 0.681 121.081 120.400 0.001 0.000 2.404 436 K HA 0.265 4.544 4.320 -0.068 0.000 0.194 436 K C 0.315 176.927 176.600 0.020 0.000 1.023 436 K CA 0.431 56.724 56.287 0.010 0.000 1.094 436 K CB 0.265 32.772 32.500 0.011 0.000 0.841 436 K HN 0.263 nan 8.250 nan 0.000 0.523 437 S N 1.020 116.726 115.700 0.010 0.000 3.614 437 S HA -0.145 4.284 4.470 -0.068 0.000 0.360 437 S C -0.363 174.279 174.600 0.070 0.000 1.023 437 S CA 0.721 58.934 58.200 0.022 0.000 1.114 437 S CB -1.648 61.580 63.200 0.047 0.000 0.907 437 S HN 0.396 nan 8.310 nan 0.000 0.470 438 L N -1.725 119.521 121.223 0.039 0.000 2.354 438 L HA 1.001 5.300 4.340 -0.068 0.000 0.269 438 L C -0.648 176.233 176.870 0.018 0.000 1.005 438 L CA -1.141 53.746 54.840 0.078 0.000 0.819 438 L CB 1.190 43.279 42.059 0.051 0.000 1.311 438 L HN 0.046 nan 8.230 nan 0.000 0.423 439 L N 3.496 124.755 121.223 0.061 0.000 2.305 439 L HA 0.655 4.954 4.340 -0.068 0.000 0.284 439 L C -0.961 175.923 176.870 0.024 0.000 1.013 439 L CA -0.174 54.660 54.840 -0.010 0.000 0.819 439 L CB 1.137 43.162 42.059 -0.056 0.000 1.227 439 L HN 0.622 nan 8.230 nan 0.000 0.417 440 I N 6.565 127.133 120.570 -0.003 0.000 2.312 440 I HA 0.326 4.455 4.170 -0.068 0.000 0.291 440 I C -0.179 175.946 176.117 0.014 0.000 1.031 440 I CA 0.240 61.539 61.300 -0.002 0.000 1.293 440 I CB 0.709 38.702 38.000 -0.012 0.000 1.403 440 I HN 0.412 nan 8.210 nan 0.000 0.484 441 I N 6.881 127.468 120.570 0.027 0.000 2.354 441 I HA 0.393 4.522 4.170 -0.068 0.000 0.292 441 I C -0.043 176.178 176.117 0.173 0.000 0.989 441 I CA -0.731 60.617 61.300 0.080 0.000 1.188 441 I CB 0.862 38.898 38.000 0.061 0.000 1.342 441 I HN 0.475 nan 8.210 nan 0.000 0.457 442 K N 4.367 124.852 120.400 0.142 0.000 2.156 442 K HA 0.881 5.160 4.320 -0.068 0.000 0.254 442 K C -0.034 176.525 176.600 -0.067 0.000 0.950 442 K CA -0.691 55.644 56.287 0.081 0.000 0.849 442 K CB 2.362 34.859 32.500 -0.004 0.000 1.100 442 K HN 0.872 nan 8.250 nan 0.000 0.434 443 G N 0.810 109.360 108.800 -0.417 0.000 2.317 443 G HA2 -0.006 3.913 3.960 -0.068 0.000 0.293 443 G HA3 -0.006 3.913 3.960 -0.068 0.000 0.293 443 G C -1.936 172.325 174.900 -1.065 0.000 1.287 443 G CA -0.705 43.908 45.100 -0.811 0.000 0.850 443 G HN 0.503 nan 8.290 nan 0.000 0.515 444 D N 0.232 120.100 120.400 -0.886 0.000 2.456 444 D HA 0.512 5.111 4.640 -0.068 0.000 0.219 444 D C -0.813 175.142 176.300 -0.574 0.000 1.126 444 D CA -0.387 53.283 54.000 -0.550 0.000 0.890 444 D CB 0.164 40.811 40.800 -0.255 0.000 1.025 444 D HN 0.104 nan 8.370 nan 0.000 0.511 445 F N 2.813 122.669 119.950 -0.157 0.000 2.334 445 F HA 0.219 4.705 4.527 -0.068 0.000 0.343 445 F C 0.882 176.778 175.800 0.159 0.000 1.136 445 F CA -1.250 56.575 58.000 -0.292 0.000 1.237 445 F CB -0.164 38.452 39.000 -0.640 0.000 1.525 445 F HN 0.151 nan 8.300 nan 0.000 0.528 446 N N 4.796 123.754 118.700 0.430 0.000 2.434 446 N HA 0.040 4.739 4.740 -0.068 0.000 0.268 446 N C -1.410 174.360 175.510 0.434 0.000 1.256 446 N CA -1.672 51.588 53.050 0.351 0.000 0.914 446 N CB 1.063 39.684 38.487 0.223 0.000 1.088 446 N HN 0.111 nan 8.380 nan 0.000 0.478 447 P HA -0.123 nan 4.420 nan 0.000 0.225 447 P C 0.469 177.823 177.300 0.089 0.000 1.148 447 P CA 1.214 64.491 63.100 0.295 0.000 0.779 447 P CB 0.358 32.210 31.700 0.253 0.000 0.780 448 K N -0.365 120.079 120.400 0.072 0.000 2.283 448 K HA -0.061 4.219 4.320 -0.068 0.000 0.202 448 K C 1.843 178.417 176.600 -0.044 0.000 1.048 448 K CA 0.831 57.120 56.287 0.003 0.000 0.948 448 K CB -0.073 32.437 32.500 0.016 0.000 0.742 448 K HN 0.170 nan 8.250 nan 0.000 0.458 449 Q N -0.032 119.748 119.800 -0.033 0.000 2.319 449 Q HA 0.106 4.405 4.340 -0.068 0.000 0.202 449 Q C 0.798 176.532 176.000 -0.443 0.000 0.896 449 Q CA 0.131 55.860 55.803 -0.124 0.000 0.942 449 Q CB 0.884 29.634 28.738 0.019 0.000 1.083 449 Q HN 0.222 nan 8.270 nan 0.000 0.510 450 G N -0.295 108.203 108.800 -0.504 0.000 2.588 450 G HA2 0.284 4.203 3.960 -0.068 0.000 0.281 450 G HA3 0.284 4.203 3.960 -0.068 0.000 0.281 450 G C -0.757 173.847 174.900 -0.494 0.000 1.236 450 G CA -0.495 44.146 45.100 -0.766 0.000 0.969 450 G HN 0.191 nan 8.290 nan 0.000 0.504 451 H N -1.432 117.507 119.070 -0.218 0.000 2.607 451 H HA 0.348 4.863 4.556 -0.068 0.000 0.367 451 H C -0.518 174.600 175.328 -0.350 0.000 1.181 451 H CA 0.229 56.158 56.048 -0.197 0.000 1.402 451 H CB 0.819 30.568 29.762 -0.021 0.000 1.474 451 H HN 0.264 nan 8.280 nan 0.000 0.596 452 F N 0.292 120.326 119.950 0.141 0.000 2.379 452 F HA 0.156 4.642 4.527 -0.068 0.000 0.332 452 F C 0.614 176.428 175.800 0.024 0.000 1.096 452 F CA -0.645 57.383 58.000 0.047 0.000 1.105 452 F CB 0.746 39.716 39.000 -0.050 0.000 1.189 452 F HN 0.515 nan 8.300 nan 0.000 0.515 453 N N 2.357 121.171 118.700 0.190 0.000 2.422 453 N HA 0.365 5.064 4.740 -0.068 0.000 0.266 453 N C -1.384 174.186 175.510 0.101 0.000 1.007 453 N CA -0.328 52.788 53.050 0.110 0.000 0.941 453 N CB 0.460 38.996 38.487 0.083 0.000 1.115 453 N HN 0.284 nan 8.380 nan 0.000 0.492 454 I N 2.299 122.904 120.570 0.057 0.000 2.359 454 I HA 0.350 4.479 4.170 -0.068 0.000 0.294 454 I C 0.128 176.278 176.117 0.055 0.000 0.987 454 I CA -0.648 60.680 61.300 0.046 0.000 1.225 454 I CB 0.618 38.617 38.000 -0.002 0.000 1.366 454 I HN 0.605 nan 8.210 nan 0.000 0.466 455 S N 6.059 121.817 115.700 0.096 0.000 2.548 455 S HA 0.765 5.195 4.470 -0.068 0.000 0.286 455 S C -1.286 173.437 174.600 0.206 0.000 1.098 455 S CA -0.752 57.514 58.200 0.109 0.000 0.930 455 S CB 2.464 65.710 63.200 0.076 0.000 1.070 455 S HN 0.548 nan 8.310 nan 0.000 0.480 456 Y N 1.407 121.727 120.300 0.034 0.000 2.275 456 Y HA 0.319 4.828 4.550 -0.068 0.000 0.319 456 Y C -0.452 175.481 175.900 0.054 0.000 1.204 456 Y CA -0.301 57.843 58.100 0.074 0.000 1.136 456 Y CB 0.862 39.408 38.460 0.144 0.000 1.228 456 Y HN 0.999 nan 8.280 nan 0.000 0.413 457 N N 3.880 122.474 118.700 -0.177 0.000 2.721 457 N HA -0.212 4.487 4.740 -0.068 0.000 0.249 457 N C 0.883 176.399 175.510 0.010 0.000 1.072 457 N CA 2.116 55.111 53.050 -0.091 0.000 0.710 457 N CB -0.957 37.515 38.487 -0.025 0.000 0.993 457 N HN 1.353 nan 8.380 nan 0.000 0.547 458 G N -2.179 106.628 108.800 0.012 0.000 2.284 458 G HA2 -0.330 3.589 3.960 -0.068 0.000 0.230 458 G HA3 -0.330 3.589 3.960 -0.068 0.000 0.230 458 G C 0.011 174.929 174.900 0.030 0.000 1.021 458 G CA 0.060 45.172 45.100 0.020 0.000 0.619 458 G HN 0.448 nan 8.290 nan 0.000 0.510 459 N N 1.844 120.572 118.700 0.047 0.000 2.470 459 N HA 0.514 5.213 4.740 -0.068 0.000 0.268 459 N C -0.572 174.954 175.510 0.027 0.000 1.136 459 N CA 0.142 53.210 53.050 0.029 0.000 0.961 459 N CB 0.746 39.242 38.487 0.014 0.000 1.067 459 N HN 0.480 nan 8.380 nan 0.000 0.468 460 N N 0.194 118.902 118.700 0.013 0.000 2.354 460 N HA 0.499 5.198 4.740 -0.068 0.000 0.287 460 N C -1.172 174.337 175.510 -0.002 0.000 1.016 460 N CA -0.785 52.273 53.050 0.015 0.000 0.871 460 N CB 1.817 40.318 38.487 0.023 0.000 1.299 460 N HN 0.250 nan 8.380 nan 0.000 0.482 461 V N -0.756 119.151 119.914 -0.011 0.000 2.823 461 V HA 0.721 4.800 4.120 -0.068 0.000 0.312 461 V C -0.173 175.918 176.094 -0.006 0.000 1.072 461 V CA -0.613 61.674 62.300 -0.022 0.000 0.937 461 V CB 1.822 33.611 31.823 -0.057 0.000 1.013 461 V HN 0.516 nan 8.190 nan 0.000 0.430 462 T N 3.250 117.799 114.554 -0.009 0.000 2.845 462 T HA 0.507 4.816 4.350 -0.068 0.000 0.288 462 T C 0.465 175.148 174.700 -0.028 0.000 0.980 462 T CA 0.187 62.288 62.100 0.001 0.000 1.071 462 T CB 0.978 69.842 68.868 -0.005 0.000 0.941 462 T HN 1.212 nan 8.240 nan 0.000 0.487 463 T N 1.400 115.960 114.554 0.010 0.000 2.919 463 T HA 0.334 4.643 4.350 -0.068 0.000 0.302 463 T C 0.072 174.707 174.700 -0.109 0.000 1.031 463 T CA -0.833 61.266 62.100 -0.001 0.000 1.127 463 T CB 0.696 69.621 68.868 0.095 0.000 0.952 463 T HN 0.610 nan 8.240 nan 0.000 0.540 464 R N 2.000 122.461 120.500 -0.065 0.000 2.532 464 R HA 0.281 4.580 4.340 -0.068 0.000 0.295 464 R C -0.382 175.972 176.300 0.089 0.000 0.968 464 R CA -0.692 55.371 56.100 -0.061 0.000 0.916 464 R CB 1.040 31.334 30.300 -0.010 0.000 1.124 464 R HN 0.757 nan 8.270 nan 0.000 0.463 465 Q N 1.984 121.903 119.800 0.198 0.000 2.288 465 Q HA 0.131 4.430 4.340 -0.068 0.000 0.258 465 Q C -0.133 176.043 176.000 0.294 0.000 0.957 465 Q CA -0.307 55.715 55.803 0.365 0.000 0.919 465 Q CB 1.527 30.554 28.738 0.482 0.000 1.185 465 Q HN 0.735 nan 8.270 nan 0.000 0.408 466 S N 2.660 118.506 115.700 0.243 0.000 2.579 466 S HA 0.021 4.450 4.470 -0.068 0.000 0.275 466 S C 1.075 175.796 174.600 0.201 0.000 1.345 466 S CA -0.741 57.544 58.200 0.141 0.000 1.031 466 S CB 0.400 63.584 63.200 -0.026 0.000 0.892 466 S HN 0.928 nan 8.310 nan 0.000 0.529 467 W N 1.765 123.132 121.300 0.112 0.000 2.363 467 W HA -0.117 4.503 4.660 -0.067 0.000 0.296 467 W C 0.853 177.446 176.519 0.123 0.000 1.212 467 W CA 1.244 58.645 57.345 0.094 0.000 1.260 467 W CB -1.134 28.083 29.460 -0.406 0.000 1.131 467 W HN 0.710 nan 8.180 nan 0.000 0.530 468 E N 0.594 120.383 120.200 -0.686 0.000 2.077 468 E HA -0.185 4.124 4.350 -0.068 0.000 0.193 468 E C 1.897 178.468 176.600 -0.050 0.000 0.989 468 E CA 1.942 58.013 56.400 -0.550 0.000 0.800 468 E CB -0.969 28.305 29.700 -0.710 0.000 0.746 468 E HN 0.220 nan 8.360 nan 0.000 0.452 469 F N 1.549 121.418 119.950 -0.135 0.000 2.206 469 F HA -0.035 4.450 4.527 -0.068 0.000 0.298 469 F C 1.603 177.389 175.800 -0.023 0.000 1.090 469 F CA 1.233 59.197 58.000 -0.060 0.000 1.323 469 F CB 0.046 39.028 39.000 -0.031 0.000 1.028 469 F HN -0.161 nan 8.300 nan 0.000 0.492 470 K N -0.079 120.373 120.400 0.086 0.000 2.097 470 K HA -0.176 4.104 4.320 -0.068 0.000 0.206 470 K C 1.707 178.375 176.600 0.114 0.000 1.049 470 K CA 1.606 57.966 56.287 0.122 0.000 0.933 470 K CB -0.309 32.454 32.500 0.439 0.000 0.717 470 K HN 0.216 nan 8.250 nan 0.000 0.442 471 D N 0.666 121.199 120.400 0.221 0.000 2.117 471 D HA -0.178 4.421 4.640 -0.068 0.000 0.198 471 D C 1.922 178.241 176.300 0.030 0.000 0.982 471 D CA 1.007 55.124 54.000 0.195 0.000 0.828 471 D CB -0.140 40.826 40.800 0.276 0.000 0.967 471 D HN 0.236 nan 8.370 nan 0.000 0.464 472 Q N 0.034 119.804 119.800 -0.049 0.000 2.096 472 Q HA -0.141 4.158 4.340 -0.068 0.000 0.204 472 Q C 2.169 178.027 176.000 -0.237 0.000 0.982 472 Q CA 1.136 56.880 55.803 -0.099 0.000 0.850 472 Q CB -0.016 28.700 28.738 -0.036 0.000 0.901 472 Q HN 0.292 nan 8.270 nan 0.000 0.422 473 L N -1.441 119.458 121.223 -0.539 0.000 2.162 473 L HA -0.055 4.244 4.340 -0.068 0.000 0.205 473 L C 1.167 177.718 176.870 -0.532 0.000 1.086 473 L CA 0.669 55.032 54.840 -0.794 0.000 0.778 473 L CB 0.041 41.123 42.059 -1.629 0.000 0.928 473 L HN 0.287 nan 8.230 nan 0.000 0.446 474 Y N -0.717 119.600 120.300 0.029 0.000 2.471 474 Y HA 0.430 4.939 4.550 -0.068 0.000 0.249 474 Y C 1.182 177.278 175.900 0.327 0.000 1.116 474 Y CA -1.109 57.096 58.100 0.175 0.000 1.240 474 Y CB -0.470 38.103 38.460 0.187 0.000 1.251 474 Y HN -0.095 nan 8.280 nan 0.000 0.527 475 A N 1.048 124.032 122.820 0.274 0.000 2.580 475 A HA 0.095 4.375 4.320 -0.068 0.000 0.244 475 A C -0.979 176.733 177.584 0.214 0.000 1.045 475 A CA 0.592 52.727 52.037 0.163 0.000 0.761 475 A CB -0.642 18.419 19.000 0.102 0.000 0.962 475 A HN 0.386 nan 8.150 nan 0.000 0.512 476 Y N 1.850 122.138 120.300 -0.021 0.000 2.425 476 Y HA 0.472 4.981 4.550 -0.068 0.000 0.344 476 Y C 0.750 176.633 175.900 -0.029 0.000 0.969 476 Y CA -0.616 57.491 58.100 0.011 0.000 1.052 476 Y CB 2.335 40.838 38.460 0.071 0.000 1.215 476 Y HN 0.499 nan 8.280 nan 0.000 0.451 477 S N 2.412 117.791 115.700 -0.534 0.000 2.559 477 S HA 0.257 4.686 4.470 -0.068 0.000 0.226 477 S C 0.607 174.866 174.600 -0.568 0.000 1.000 477 S CA 0.136 58.092 58.200 -0.407 0.000 0.948 477 S CB 0.338 63.406 63.200 -0.220 0.000 0.870 477 S HN 0.928 nan 8.310 nan 0.000 0.497 478 G N 1.666 109.719 108.800 -1.244 0.000 2.563 478 G HA2 0.240 4.159 3.960 -0.068 0.000 0.283 478 G HA3 0.240 4.159 3.960 -0.068 0.000 0.283 478 G C -0.241 174.516 174.900 -0.238 0.000 1.309 478 G CA -0.587 44.087 45.100 -0.708 0.000 1.022 478 G HN 0.339 nan 8.290 nan 0.000 0.501 479 N N -0.817 117.868 118.700 -0.025 0.000 2.492 479 N HA 0.153 4.852 4.740 -0.068 0.000 0.262 479 N C -0.654 174.876 175.510 0.033 0.000 1.202 479 N CA 0.019 53.076 53.050 0.011 0.000 0.926 479 N CB 0.342 38.844 38.487 0.025 0.000 1.078 479 N HN 0.192 nan 8.380 nan 0.000 0.454 480 L N 1.977 123.102 121.223 -0.163 0.000 2.354 480 L HA 0.624 4.923 4.340 -0.068 0.000 0.269 480 L C 0.709 177.412 176.870 -0.278 0.000 1.005 480 L CA -0.554 54.083 54.840 -0.339 0.000 0.819 480 L CB 1.908 43.434 42.059 -0.889 0.000 1.311 480 L HN 0.869 nan 8.230 nan 0.000 0.423 481 G N 1.631 110.379 108.800 -0.087 0.000 2.466 481 G HA2 0.210 4.129 3.960 -0.068 0.000 0.316 481 G HA3 0.210 4.129 3.960 -0.068 0.000 0.316 481 G C -1.294 173.668 174.900 0.104 0.000 1.270 481 G CA -0.304 44.843 45.100 0.078 0.000 0.982 481 G HN 0.960 nan 8.290 nan 0.000 0.506 482 A N -0.901 122.007 122.820 0.146 0.000 2.304 482 A HA 0.778 5.058 4.320 -0.068 0.000 0.314 482 A C -0.283 177.359 177.584 0.097 0.000 1.187 482 A CA -0.215 51.889 52.037 0.111 0.000 0.810 482 A CB 1.694 20.785 19.000 0.152 0.000 1.183 482 A HN 1.857 nan 8.150 nan 0.000 0.487 483 V N 4.499 124.426 119.914 0.021 0.000 2.357 483 V HA 0.296 4.375 4.120 -0.068 0.000 0.284 483 V C 0.082 176.155 176.094 -0.036 0.000 1.018 483 V CA -0.338 61.972 62.300 0.018 0.000 0.841 483 V CB 1.109 32.940 31.823 0.014 0.000 0.991 483 V HN 0.830 nan 8.190 nan 0.000 0.437 484 L N 5.231 126.451 121.223 -0.006 0.000 2.417 484 L HA 0.330 4.630 4.340 -0.068 0.000 0.268 484 L C 0.831 177.690 176.870 -0.018 0.000 1.158 484 L CA -0.245 54.574 54.840 -0.035 0.000 0.819 484 L CB 0.807 42.882 42.059 0.026 0.000 1.112 484 L HN 0.849 nan 8.230 nan 0.000 0.458 485 N N 1.768 120.449 118.700 -0.032 0.000 2.364 485 N HA -0.025 4.674 4.740 -0.068 0.000 0.264 485 N C 0.418 175.930 175.510 0.004 0.000 1.263 485 N CA -0.435 52.607 53.050 -0.014 0.000 0.959 485 N CB 0.356 38.830 38.487 -0.022 0.000 1.204 485 N HN 0.644 nan 8.380 nan 0.000 0.550 486 Q N -0.851 118.952 119.800 0.005 0.000 2.096 486 Q HA -0.210 4.089 4.340 -0.068 0.000 0.204 486 Q C 0.252 176.260 176.000 0.014 0.000 0.982 486 Q CA 2.243 58.052 55.803 0.010 0.000 0.850 486 Q CB -0.146 28.596 28.738 0.007 0.000 0.901 486 Q HN 0.821 nan 8.270 nan 0.000 0.422 487 D N -2.315 118.092 120.400 0.012 0.000 2.339 487 D HA 0.102 4.701 4.640 -0.068 0.000 0.217 487 D C 1.023 177.336 176.300 0.023 0.000 1.050 487 D CA 0.772 54.781 54.000 0.014 0.000 0.856 487 D CB 0.237 41.042 40.800 0.007 0.000 0.922 487 D HN 0.457 nan 8.370 nan 0.000 0.518 488 G N 0.423 109.240 108.800 0.029 0.000 2.179 488 G HA2 -0.361 3.558 3.960 -0.068 0.000 0.260 488 G HA3 -0.361 3.558 3.960 -0.068 0.000 0.260 488 G C 1.161 176.108 174.900 0.077 0.000 0.977 488 G CA 0.812 45.943 45.100 0.051 0.000 0.641 488 G HN 0.643 nan 8.290 nan 0.000 0.533 489 S N -1.067 114.662 115.700 0.047 0.000 2.489 489 S HA 0.308 4.737 4.470 -0.068 0.000 0.228 489 S C 0.799 175.458 174.600 0.099 0.000 0.995 489 S CA 1.293 59.529 58.200 0.060 0.000 0.934 489 S CB 0.395 63.605 63.200 0.016 0.000 0.771 489 S HN 0.618 nan 8.310 nan 0.000 0.522 490 K N 0.545 120.952 120.400 0.011 0.000 2.501 490 K HA 0.609 4.888 4.320 -0.068 0.000 0.252 490 K C -1.912 174.539 176.600 -0.247 0.000 0.934 490 K CA -0.634 55.584 56.287 -0.115 0.000 0.797 490 K CB 2.781 35.230 32.500 -0.085 0.000 1.270 490 K HN -0.049 nan 8.250 nan 0.000 0.431 491 V N 2.402 122.034 119.914 -0.470 0.000 2.448 491 V HA 0.240 4.319 4.120 -0.068 0.000 0.295 491 V C -0.519 175.377 176.094 -0.329 0.000 1.025 491 V CA -0.821 61.187 62.300 -0.487 0.000 0.859 491 V CB 1.592 32.860 31.823 -0.925 0.000 0.988 491 V HN 0.700 nan 8.190 nan 0.000 0.431 492 E N 3.456 123.541 120.200 -0.192 0.000 2.115 492 E HA 0.656 4.965 4.350 -0.068 0.000 0.282 492 E C -0.269 176.283 176.600 -0.079 0.000 0.987 492 E CA -0.262 56.068 56.400 -0.116 0.000 0.797 492 E CB 1.728 31.389 29.700 -0.064 0.000 1.086 492 E HN 0.805 nan 8.360 nan 0.000 0.397 493 A N 2.736 125.521 122.820 -0.058 0.000 2.350 493 A HA 0.703 4.982 4.320 -0.068 0.000 0.324 493 A C -0.527 177.082 177.584 0.043 0.000 1.118 493 A CA -0.599 51.448 52.037 0.016 0.000 0.783 493 A CB 1.632 20.660 19.000 0.046 0.000 1.236 493 A HN 0.453 nan 8.150 nan 0.000 0.457 494 S N 0.184 115.921 115.700 0.061 0.000 2.575 494 S HA 0.635 5.064 4.470 -0.068 0.000 0.278 494 S C -1.547 173.052 174.600 -0.001 0.000 1.139 494 S CA -0.341 57.870 58.200 0.017 0.000 0.954 494 S CB 1.382 64.592 63.200 0.017 0.000 1.054 494 S HN 0.924 nan 8.310 nan 0.000 0.483 495 L N 3.073 124.263 121.223 -0.054 0.000 2.438 495 L HA 0.664 4.964 4.340 -0.068 0.000 0.270 495 L C -1.628 175.286 176.870 0.074 0.000 0.972 495 L CA -0.242 54.557 54.840 -0.069 0.000 0.831 495 L CB 1.218 43.004 42.059 -0.456 0.000 1.273 495 L HN 0.831 nan 8.230 nan 0.000 0.405 496 W N 5.503 126.787 121.300 -0.026 0.000 2.335 496 W HA 0.575 5.194 4.660 -0.068 0.000 0.306 496 W C -0.108 176.448 176.519 0.062 0.000 1.216 496 W CA 0.112 57.448 57.345 -0.015 0.000 1.237 496 W CB 1.173 30.641 29.460 0.014 0.000 1.243 496 W HN 0.589 nan 8.180 nan 0.000 0.493 497 S N 8.134 123.528 115.700 -0.511 0.000 2.769 497 S HA 0.154 4.583 4.470 -0.068 0.000 0.150 497 S C -1.641 172.668 174.600 -0.485 0.000 1.034 497 S CA -0.767 57.147 58.200 -0.476 0.000 1.096 497 S CB 0.494 63.593 63.200 -0.168 0.000 1.567 497 S HN 0.451 nan 8.310 nan 0.000 0.435 498 P HA 0.052 nan 4.420 nan 0.000 0.223 498 P C 0.887 177.837 177.300 -0.584 0.000 1.151 498 P CA 0.675 63.182 63.100 -0.989 0.000 0.787 498 P CB 0.088 30.727 31.700 -1.768 0.000 0.788 499 S N -0.776 114.704 115.700 -0.367 0.000 2.575 499 S HA 0.307 4.736 4.470 -0.068 0.000 0.215 499 S C 1.105 175.676 174.600 -0.049 0.000 0.966 499 S CA -0.267 57.844 58.200 -0.147 0.000 0.911 499 S CB -0.270 62.900 63.200 -0.050 0.000 0.780 499 S HN 0.198 nan 8.310 nan 0.000 0.514 500 A N 1.653 124.461 122.820 -0.020 0.000 2.440 500 A HA 0.252 4.531 4.320 -0.068 0.000 0.251 500 A C 0.707 178.351 177.584 0.100 0.000 1.089 500 A CA -0.339 51.678 52.037 -0.032 0.000 0.779 500 A CB 0.195 19.030 19.000 -0.276 0.000 1.022 500 A HN 0.114 nan 8.150 nan 0.000 0.492 501 D N 0.288 120.688 120.400 -0.000 0.000 2.162 501 D HA 0.034 4.634 4.640 -0.068 0.000 0.203 501 D C 0.727 177.056 176.300 0.047 0.000 0.967 501 D CA 1.955 55.986 54.000 0.050 0.000 0.840 501 D CB 0.064 40.865 40.800 0.002 0.000 0.972 501 D HN 0.674 nan 8.370 nan 0.000 0.482 502 S N -1.049 114.506 115.700 -0.241 0.000 2.547 502 S HA 0.590 5.019 4.470 -0.068 0.000 0.270 502 S C -1.099 173.024 174.600 -0.794 0.000 1.150 502 S CA -0.941 56.985 58.200 -0.456 0.000 0.850 502 S CB 2.324 65.425 63.200 -0.164 0.000 1.118 502 S HN -0.170 nan 8.310 nan 0.000 0.461 503 V N 1.709 121.040 119.914 -0.971 0.000 2.577 503 V HA 0.723 4.802 4.120 -0.068 0.000 0.303 503 V C -0.602 175.336 176.094 -0.260 0.000 1.042 503 V CA -0.338 61.537 62.300 -0.708 0.000 0.872 503 V CB 1.988 33.147 31.823 -1.107 0.000 0.998 503 V HN 1.076 nan 8.190 nan 0.000 0.423 504 T N 5.615 120.119 114.554 -0.083 0.000 2.848 504 T HA 0.506 4.815 4.350 -0.068 0.000 0.285 504 T C -0.396 174.395 174.700 0.152 0.000 0.995 504 T CA -0.370 61.748 62.100 0.030 0.000 0.970 504 T CB 1.613 70.477 68.868 -0.006 0.000 0.976 504 T HN 0.631 nan 8.240 nan 0.000 0.441 505 M N 4.310 124.009 119.600 0.164 0.000 2.180 505 M HA 0.515 4.955 4.480 -0.068 0.000 0.358 505 M C -1.277 175.032 176.300 0.015 0.000 1.233 505 M CA -0.480 54.876 55.300 0.093 0.000 1.114 505 M CB 0.286 32.931 32.600 0.075 0.000 1.594 505 M HN 0.563 nan 8.290 nan 0.000 0.467 506 I N 6.303 126.861 120.570 -0.020 0.000 2.378 506 I HA 0.387 4.516 4.170 -0.068 0.000 0.291 506 I C -0.655 175.345 176.117 -0.195 0.000 0.992 506 I CA -0.591 60.628 61.300 -0.136 0.000 1.154 506 I CB 1.476 39.378 38.000 -0.163 0.000 1.315 506 I HN 0.644 nan 8.210 nan 0.000 0.448 507 I N 6.287 126.720 120.570 -0.229 0.000 2.404 507 I HA 0.369 4.498 4.170 -0.068 0.000 0.293 507 I C -1.039 174.978 176.117 -0.166 0.000 0.992 507 I CA -0.680 60.610 61.300 -0.016 0.000 1.149 507 I CB 1.355 39.454 38.000 0.165 0.000 1.315 507 I HN 0.405 nan 8.210 nan 0.000 0.446 508 Y N 2.601 123.076 120.300 0.291 0.000 2.429 508 Y HA 0.250 4.760 4.550 -0.068 0.000 0.342 508 Y C 0.226 176.323 175.900 0.329 0.000 1.004 508 Y CA -1.017 57.244 58.100 0.268 0.000 1.075 508 Y CB 1.091 39.684 38.460 0.222 0.000 1.214 508 Y HN 0.466 nan 8.280 nan 0.000 0.455 509 D N 2.891 123.510 120.400 0.365 0.000 2.531 509 D HA -0.069 4.530 4.640 -0.068 0.000 0.239 509 D C 0.986 177.245 176.300 -0.068 0.000 1.144 509 D CA 0.234 54.306 54.000 0.120 0.000 0.869 509 D CB 0.981 41.845 40.800 0.106 0.000 1.160 509 D HN 0.766 nan 8.370 nan 0.000 0.484 510 K N 2.798 122.808 120.400 -0.650 0.000 2.113 510 K HA -0.190 4.089 4.320 -0.068 0.000 0.208 510 K C 0.424 176.936 176.600 -0.147 0.000 1.047 510 K CA 1.235 57.171 56.287 -0.585 0.000 0.928 510 K CB 0.082 32.083 32.500 -0.832 0.000 0.716 510 K HN 0.258 nan 8.250 nan 0.000 0.446 511 D N 0.367 120.684 120.400 -0.139 0.000 2.339 511 D HA 0.033 4.633 4.640 -0.068 0.000 0.217 511 D C -0.419 175.892 176.300 0.019 0.000 1.050 511 D CA 0.331 54.310 54.000 -0.036 0.000 0.856 511 D CB 0.185 40.952 40.800 -0.054 0.000 0.922 511 D HN 0.207 nan 8.370 nan 0.000 0.518 512 N N 0.892 119.626 118.700 0.057 0.000 2.969 512 N HA -0.055 4.644 4.740 -0.068 0.000 0.230 512 N C 0.728 176.309 175.510 0.119 0.000 1.397 512 N CA -0.031 53.060 53.050 0.067 0.000 0.762 512 N CB 0.620 39.138 38.487 0.051 0.000 1.495 512 N HN -0.113 nan 8.380 nan 0.000 0.583 513 Q N 0.788 120.647 119.800 0.098 0.000 2.364 513 Q HA -0.011 4.288 4.340 -0.068 0.000 0.209 513 Q C 0.085 176.101 176.000 0.026 0.000 0.977 513 Q CA 1.518 57.366 55.803 0.074 0.000 0.885 513 Q CB -0.286 28.313 28.738 -0.232 0.000 0.941 513 Q HN 0.496 nan 8.270 nan 0.000 0.464 514 N N 0.181 118.904 118.700 0.038 0.000 2.463 514 N HA -0.002 4.698 4.740 -0.068 0.000 0.181 514 N C -0.060 175.568 175.510 0.196 0.000 1.078 514 N CA -0.182 52.905 53.050 0.062 0.000 0.902 514 N CB 0.226 38.725 38.487 0.019 0.000 0.970 514 N HN 0.120 nan 8.380 nan 0.000 0.451 515 R N 1.770 122.403 120.500 0.221 0.000 2.205 515 R HA 0.218 4.517 4.340 -0.068 0.000 0.342 515 R C -0.944 175.491 176.300 0.226 0.000 1.058 515 R CA -0.307 55.908 56.100 0.191 0.000 0.904 515 R CB 0.481 30.858 30.300 0.129 0.000 1.089 515 R HN -0.127 nan 8.270 nan 0.000 0.471 516 V N 6.441 126.437 119.914 0.136 0.000 2.521 516 V HA -0.021 4.058 4.120 -0.068 0.000 0.286 516 V C 1.212 177.297 176.094 -0.014 0.000 1.034 516 V CA 0.180 62.442 62.300 -0.063 0.000 1.045 516 V CB 1.225 32.985 31.823 -0.105 0.000 0.974 516 V HN 0.791 nan 8.190 nan 0.000 0.480 517 V N 1.668 121.571 119.914 -0.019 0.000 3.612 517 V HA 0.816 4.895 4.120 -0.068 0.000 0.268 517 V C 0.504 176.592 176.094 -0.010 0.000 1.365 517 V CA 0.627 62.943 62.300 0.027 0.000 1.044 517 V CB 0.133 32.023 31.823 0.112 0.000 0.820 517 V HN 1.026 nan 8.190 nan 0.000 0.444 518 A N 0.442 123.238 122.820 -0.041 0.000 2.599 518 A HA 0.768 5.047 4.320 -0.068 0.000 0.294 518 A C -0.397 177.156 177.584 -0.052 0.000 1.055 518 A CA 0.227 52.245 52.037 -0.033 0.000 0.683 518 A CB 1.244 20.240 19.000 -0.007 0.000 1.278 518 A HN 1.012 nan 8.150 nan 0.000 0.412 519 T N -1.518 113.016 114.554 -0.033 0.000 2.903 519 T HA 0.844 5.153 4.350 -0.068 0.000 0.299 519 T C -0.677 174.020 174.700 -0.006 0.000 1.093 519 T CA -0.178 61.906 62.100 -0.027 0.000 1.002 519 T CB 1.993 70.841 68.868 -0.033 0.000 1.127 519 T HN 1.788 nan 8.240 nan 0.000 0.488 520 T N 2.988 117.546 114.554 0.007 0.000 3.041 520 T HA 0.671 4.980 4.350 -0.068 0.000 0.321 520 T C -3.136 171.583 174.700 0.033 0.000 1.184 520 T CA -1.293 60.815 62.100 0.014 0.000 1.050 520 T CB 1.962 70.833 68.868 0.005 0.000 1.159 520 T HN 0.659 nan 8.240 nan 0.000 0.469 521 P HA 0.490 nan 4.420 nan 0.000 0.284 521 P C -0.979 176.370 177.300 0.082 0.000 1.253 521 P CA -0.607 62.521 63.100 0.046 0.000 0.800 521 P CB 0.867 32.592 31.700 0.041 0.000 0.961 522 L N 2.815 124.113 121.223 0.125 0.000 2.416 522 L HA 0.420 4.719 4.340 -0.068 0.000 0.262 522 L C 0.304 177.372 176.870 0.330 0.000 1.093 522 L CA -0.605 54.357 54.840 0.203 0.000 0.801 522 L CB 1.115 43.311 42.059 0.229 0.000 1.191 522 L HN 0.152 nan 8.230 nan 0.000 0.459 523 V N 1.119 121.154 119.914 0.201 0.000 2.513 523 V HA 0.408 4.487 4.120 -0.068 0.000 0.299 523 V C -0.066 175.890 176.094 -0.230 0.000 1.035 523 V CA -1.018 61.306 62.300 0.040 0.000 0.889 523 V CB 1.606 33.411 31.823 -0.031 0.000 0.988 523 V HN 0.607 nan 8.190 nan 0.000 0.440 524 K N 3.859 123.841 120.400 -0.696 0.000 2.172 524 K HA 0.372 4.651 4.320 -0.068 0.000 0.276 524 K C -0.042 176.186 176.600 -0.620 0.000 1.013 524 K CA -0.518 55.075 56.287 -1.157 0.000 0.913 524 K CB 0.872 32.186 32.500 -1.978 0.000 1.055 524 K HN 0.915 nan 8.250 nan 0.000 0.461 525 N N 1.658 120.048 118.700 -0.517 0.000 2.538 525 N HA -0.011 4.688 4.740 -0.068 0.000 0.292 525 N C 0.418 175.763 175.510 -0.276 0.000 1.262 525 N CA -0.352 52.511 53.050 -0.312 0.000 0.976 525 N CB 0.100 38.457 38.487 -0.217 0.000 1.161 525 N HN 0.658 nan 8.380 nan 0.000 0.598 526 N N -0.892 117.719 118.700 -0.148 0.000 2.381 526 N HA -0.069 4.630 4.740 -0.068 0.000 0.182 526 N C 0.042 175.543 175.510 -0.015 0.000 1.025 526 N CA 0.677 53.679 53.050 -0.080 0.000 0.888 526 N CB 0.129 38.597 38.487 -0.032 0.000 0.965 526 N HN 0.360 nan 8.380 nan 0.000 0.438 527 K N 0.172 120.559 120.400 -0.021 0.000 2.437 527 K HA 0.105 4.384 4.320 -0.068 0.000 0.198 527 K C 0.680 177.259 176.600 -0.035 0.000 1.024 527 K CA 0.219 56.570 56.287 0.106 0.000 1.148 527 K CB 0.219 32.843 32.500 0.207 0.000 0.860 527 K HN 0.283 nan 8.250 nan 0.000 0.515 528 G N 1.222 109.832 108.800 -0.316 0.000 2.176 528 G HA2 -0.229 3.690 3.960 -0.068 0.000 0.252 528 G HA3 -0.229 3.690 3.960 -0.068 0.000 0.252 528 G C -0.022 174.486 174.900 -0.653 0.000 1.024 528 G CA 0.119 44.840 45.100 -0.630 0.000 0.755 528 G HN 0.131 nan 8.290 nan 0.000 0.507 529 V N 0.383 119.961 119.914 -0.561 0.000 2.350 529 V HA 0.541 4.620 4.120 -0.068 0.000 0.276 529 V C 0.309 176.139 176.094 -0.441 0.000 1.028 529 V CA -0.811 61.210 62.300 -0.465 0.000 0.860 529 V CB 0.527 31.922 31.823 -0.712 0.000 0.990 529 V HN 0.314 nan 8.190 nan 0.000 0.453 530 W N 4.122 125.256 121.300 -0.275 0.000 2.316 530 W HA 0.602 5.221 4.660 -0.068 0.000 0.311 530 W C 0.364 176.774 176.519 -0.181 0.000 1.217 530 W CA -0.179 57.032 57.345 -0.223 0.000 1.199 530 W CB 0.532 29.843 29.460 -0.248 0.000 1.202 530 W HN 0.475 nan 8.180 nan 0.000 0.528 531 Q N 1.827 121.663 119.800 0.060 0.000 2.421 531 Q HA 0.709 5.008 4.340 -0.068 0.000 0.280 531 Q C -0.655 175.366 176.000 0.036 0.000 1.085 531 Q CA -1.000 54.816 55.803 0.021 0.000 0.807 531 Q CB 3.043 31.762 28.738 -0.032 0.000 1.405 531 Q HN 0.402 nan 8.270 nan 0.000 0.419 532 T N 0.293 114.858 114.554 0.018 0.000 2.739 532 T HA 0.652 4.961 4.350 -0.068 0.000 0.303 532 T C -1.817 172.849 174.700 -0.056 0.000 1.389 532 T CA -0.441 61.654 62.100 -0.008 0.000 1.001 532 T CB 1.167 70.041 68.868 0.009 0.000 1.436 532 T HN 0.478 nan 8.240 nan 0.000 0.500 533 I N 3.047 123.569 120.570 -0.080 0.000 2.439 533 I HA 0.410 4.539 4.170 -0.068 0.000 0.285 533 I C -0.423 175.589 176.117 -0.176 0.000 1.021 533 I CA -0.819 60.403 61.300 -0.129 0.000 1.091 533 I CB 1.644 39.588 38.000 -0.094 0.000 1.242 533 I HN 0.437 nan 8.210 nan 0.000 0.439 534 L N 6.395 127.426 121.223 -0.320 0.000 2.349 534 L HA 0.420 4.719 4.340 -0.068 0.000 0.275 534 L C -0.330 176.360 176.870 -0.299 0.000 1.115 534 L CA -0.083 54.496 54.840 -0.434 0.000 0.820 534 L CB 0.580 42.045 42.059 -0.990 0.000 1.135 534 L HN 0.677 nan 8.230 nan 0.000 0.445 535 D N -0.996 119.371 120.400 -0.054 0.000 3.557 535 D HA 0.055 4.654 4.640 -0.068 0.000 0.331 535 D C 0.731 177.098 176.300 0.111 0.000 1.442 535 D CA 0.121 54.160 54.000 0.064 0.000 0.971 535 D CB 0.158 40.951 40.800 -0.012 0.000 1.423 535 D HN 0.420 nan 8.370 nan 0.000 0.604 536 T N -2.054 112.522 114.554 0.036 0.000 2.929 536 T HA -0.100 4.209 4.350 -0.068 0.000 0.271 536 T C 1.318 176.014 174.700 -0.008 0.000 1.085 536 T CA 1.166 63.264 62.100 -0.002 0.000 1.125 536 T CB -0.418 68.441 68.868 -0.015 0.000 0.874 536 T HN 0.376 nan 8.240 nan 0.000 0.494 537 K N 0.887 121.289 120.400 0.003 0.000 2.280 537 K HA 0.093 4.372 4.320 -0.068 0.000 0.202 537 K C 1.631 178.229 176.600 -0.003 0.000 1.047 537 K CA 0.881 57.166 56.287 -0.004 0.000 0.942 537 K CB -0.309 32.188 32.500 -0.005 0.000 0.739 537 K HN 0.439 nan 8.250 nan 0.000 0.457 538 L N -0.152 121.079 121.223 0.013 0.000 2.628 538 L HA 0.160 4.459 4.340 -0.068 0.000 0.229 538 L C 0.932 177.771 176.870 -0.053 0.000 1.137 538 L CA 0.047 54.889 54.840 0.003 0.000 0.909 538 L CB 0.057 42.153 42.059 0.062 0.000 1.137 538 L HN 0.333 nan 8.230 nan 0.000 0.470 539 G N 1.253 110.012 108.800 -0.069 0.000 2.153 539 G HA2 -0.289 3.630 3.960 -0.068 0.000 0.252 539 G HA3 -0.289 3.630 3.960 -0.068 0.000 0.252 539 G C 0.062 174.860 174.900 -0.170 0.000 0.994 539 G CA 0.052 45.096 45.100 -0.093 0.000 0.698 539 G HN 0.349 nan 8.290 nan 0.000 0.521 540 I N 0.158 120.549 120.570 -0.298 0.000 2.406 540 I HA 0.317 4.446 4.170 -0.068 0.000 0.290 540 I C 1.302 177.101 176.117 -0.530 0.000 0.999 540 I CA -0.663 60.314 61.300 -0.540 0.000 1.124 540 I CB 1.722 39.089 38.000 -1.055 0.000 1.289 540 I HN 0.222 nan 8.210 nan 0.000 0.441 541 K N 3.741 123.936 120.400 -0.341 0.000 2.137 541 K HA 0.098 4.377 4.320 -0.068 0.000 0.202 541 K C 0.547 177.026 176.600 -0.201 0.000 1.052 541 K CA 0.706 56.868 56.287 -0.208 0.000 0.961 541 K CB 0.275 32.709 32.500 -0.109 0.000 0.741 541 K HN 0.436 nan 8.250 nan 0.000 0.452 542 N N -0.098 118.461 118.700 -0.234 0.000 2.519 542 N HA 0.128 4.827 4.740 -0.068 0.000 0.286 542 N C -1.044 174.388 175.510 -0.129 0.000 1.079 542 N CA -0.625 52.360 53.050 -0.109 0.000 0.878 542 N CB 1.069 39.555 38.487 -0.001 0.000 1.375 542 N HN 0.072 nan 8.380 nan 0.000 0.514 543 Y N 0.750 121.012 120.300 -0.064 0.000 2.546 543 Y HA 0.091 4.600 4.550 -0.068 0.000 0.287 543 Y C 0.929 176.977 175.900 0.246 0.000 1.158 543 Y CA 0.346 58.413 58.100 -0.055 0.000 1.307 543 Y CB 0.227 38.471 38.460 -0.361 0.000 1.036 543 Y HN 0.310 nan 8.280 nan 0.000 0.532 544 T N 0.450 115.179 114.554 0.293 0.000 2.871 544 T HA 0.254 4.563 4.350 -0.068 0.000 0.296 544 T C 1.355 176.182 174.700 0.212 0.000 0.998 544 T CA 1.191 63.435 62.100 0.240 0.000 1.162 544 T CB 0.218 69.169 68.868 0.138 0.000 0.947 544 T HN 0.679 nan 8.240 nan 0.000 0.536 545 G N 2.262 111.146 108.800 0.139 0.000 2.225 545 G HA2 -0.264 3.655 3.960 -0.068 0.000 0.254 545 G HA3 -0.264 3.655 3.960 -0.068 0.000 0.254 545 G C 0.095 174.742 174.900 -0.422 0.000 0.988 545 G CA -0.249 44.786 45.100 -0.107 0.000 0.625 545 G HN 0.693 nan 8.290 nan 0.000 0.527 546 Y N 0.194 120.417 120.300 -0.129 0.000 2.357 546 Y HA 0.534 5.043 4.550 -0.068 0.000 0.340 546 Y C 0.994 176.703 175.900 -0.318 0.000 1.260 546 Y CA 0.183 58.197 58.100 -0.144 0.000 1.425 546 Y CB 0.361 38.995 38.460 0.290 0.000 1.326 546 Y HN 0.242 nan 8.280 nan 0.000 0.580 547 Y N 0.926 121.391 120.300 0.275 0.000 2.549 547 Y HA 0.525 5.034 4.550 -0.068 0.000 0.339 547 Y C -0.863 175.156 175.900 0.199 0.000 1.053 547 Y CA -1.299 56.840 58.100 0.066 0.000 1.105 547 Y CB 1.541 40.008 38.460 0.011 0.000 1.258 547 Y HN 0.487 nan 8.280 nan 0.000 0.478 548 Y N -0.654 119.644 120.300 -0.003 0.000 2.544 548 Y HA 0.826 5.336 4.550 -0.068 0.000 0.342 548 Y C -2.181 173.674 175.900 -0.074 0.000 1.062 548 Y CA -1.525 56.556 58.100 -0.032 0.000 1.023 548 Y CB 1.130 39.409 38.460 -0.300 0.000 1.308 548 Y HN 0.482 nan 8.280 nan 0.000 0.457 549 L N 2.554 123.820 121.223 0.072 0.000 2.309 549 L HA 0.554 4.853 4.340 -0.068 0.000 0.261 549 L C -1.439 175.356 176.870 -0.125 0.000 1.021 549 L CA -1.300 53.498 54.840 -0.069 0.000 0.823 549 L CB 2.294 44.401 42.059 0.081 0.000 1.366 549 L HN 0.668 nan 8.230 nan 0.000 0.423 550 Y N 0.261 120.613 120.300 0.086 0.000 2.335 550 Y HA 0.314 4.823 4.550 -0.068 0.000 0.338 550 Y C -0.043 175.849 175.900 -0.012 0.000 0.977 550 Y CA -0.678 57.448 58.100 0.044 0.000 1.114 550 Y CB 1.619 40.093 38.460 0.023 0.000 1.182 550 Y HN 0.408 nan 8.280 nan 0.000 0.463 551 E N 4.463 124.740 120.200 0.128 0.000 2.115 551 E HA 0.448 4.757 4.350 -0.068 0.000 0.282 551 E C -1.169 175.400 176.600 -0.053 0.000 0.987 551 E CA -0.277 56.141 56.400 0.030 0.000 0.797 551 E CB 0.565 30.273 29.700 0.014 0.000 1.086 551 E HN 0.594 nan 8.360 nan 0.000 0.397 552 I N 4.524 125.047 120.570 -0.078 0.000 2.359 552 I HA 0.284 4.414 4.170 -0.068 0.000 0.294 552 I C 0.044 176.084 176.117 -0.128 0.000 0.987 552 I CA -0.680 60.518 61.300 -0.169 0.000 1.225 552 I CB 1.500 39.406 38.000 -0.157 0.000 1.366 552 I HN 0.330 nan 8.210 nan 0.000 0.466 553 K N 6.805 127.107 120.400 -0.163 0.000 2.274 553 K HA 0.536 4.815 4.320 -0.068 0.000 0.262 553 K C -0.826 175.722 176.600 -0.086 0.000 0.961 553 K CA -0.705 55.521 56.287 -0.101 0.000 0.833 553 K CB 1.076 33.522 32.500 -0.090 0.000 1.102 553 K HN 0.558 nan 8.250 nan 0.000 0.436 554 R N 3.150 123.623 120.500 -0.044 0.000 2.472 554 R HA 0.268 4.567 4.340 -0.068 0.000 0.294 554 R C 0.090 176.389 176.300 -0.002 0.000 1.243 554 R CA -0.051 56.038 56.100 -0.018 0.000 1.023 554 R CB 1.478 31.776 30.300 -0.004 0.000 1.157 554 R HN 1.038 nan 8.270 nan 0.000 0.530 555 G N 2.501 111.301 108.800 0.000 0.000 2.561 555 G HA2 -0.437 3.482 3.960 -0.068 0.000 0.289 555 G HA3 -0.437 3.482 3.960 -0.068 0.000 0.289 555 G C 0.695 175.595 174.900 -0.001 0.000 1.169 555 G CA 0.547 45.650 45.100 0.005 0.000 0.980 555 G HN 0.534 nan 8.290 nan 0.000 0.550 556 K N 0.865 121.267 120.400 0.003 0.000 2.228 556 K HA 0.048 4.327 4.320 -0.068 0.000 0.202 556 K C 0.036 176.635 176.600 -0.002 0.000 1.051 556 K CA 1.144 57.431 56.287 0.001 0.000 0.960 556 K CB -0.158 32.345 32.500 0.005 0.000 0.743 556 K HN 0.486 nan 8.250 nan 0.000 0.458 557 D N 1.414 121.813 120.400 -0.002 0.000 2.256 557 D HA 0.163 4.762 4.640 -0.068 0.000 0.250 557 D C -0.735 175.557 176.300 -0.013 0.000 1.093 557 D CA 0.212 54.211 54.000 -0.003 0.000 0.882 557 D CB 1.441 42.244 40.800 0.004 0.000 1.185 557 D HN -0.040 nan 8.370 nan 0.000 0.437 558 K N 0.636 121.027 120.400 -0.015 0.000 2.316 558 K HA 0.720 5.000 4.320 -0.068 0.000 0.251 558 K C -1.356 175.233 176.600 -0.018 0.000 0.934 558 K CA -1.016 55.258 56.287 -0.022 0.000 0.802 558 K CB 2.933 35.421 32.500 -0.020 0.000 1.171 558 K HN 0.141 nan 8.250 nan 0.000 0.426 559 V N 2.320 122.222 119.914 -0.020 0.000 3.012 559 V HA 0.359 4.438 4.120 -0.068 0.000 0.307 559 V C -1.737 174.353 176.094 -0.006 0.000 1.166 559 V CA -0.859 61.430 62.300 -0.018 0.000 0.974 559 V CB 2.195 34.009 31.823 -0.015 0.000 1.040 559 V HN 0.650 nan 8.190 nan 0.000 0.428 560 K N 5.793 126.189 120.400 -0.006 0.000 2.240 560 K HA 0.634 4.913 4.320 -0.068 0.000 0.271 560 K C -0.680 175.925 176.600 0.008 0.000 1.018 560 K CA -0.353 55.943 56.287 0.016 0.000 0.874 560 K CB 1.460 33.975 32.500 0.024 0.000 1.098 560 K HN 0.627 nan 8.250 nan 0.000 0.458 561 I N -0.051 120.542 120.570 0.037 0.000 2.910 561 I HA 0.497 4.626 4.170 -0.068 0.000 0.310 561 I C -1.113 175.000 176.117 -0.008 0.000 1.043 561 I CA -1.303 60.011 61.300 0.024 0.000 1.053 561 I CB 1.003 39.031 38.000 0.046 0.000 1.242 561 I HN 0.329 nan 8.210 nan 0.000 0.452 562 L N 3.016 124.191 121.223 -0.079 0.000 2.272 562 L HA 0.480 4.779 4.340 -0.068 0.000 0.289 562 L C -0.360 176.448 176.870 -0.103 0.000 1.032 562 L CA 0.034 54.777 54.840 -0.161 0.000 0.810 562 L CB 0.529 42.441 42.059 -0.246 0.000 1.205 562 L HN 0.729 nan 8.230 nan 0.000 0.422 563 D N 7.466 127.850 120.400 -0.026 0.000 2.479 563 D HA 0.012 4.611 4.640 -0.068 0.000 0.257 563 D C -1.623 174.693 176.300 0.027 0.000 1.230 563 D CA -1.200 52.886 54.000 0.142 0.000 0.912 563 D CB 1.231 42.201 40.800 0.283 0.000 1.130 563 D HN 0.451 nan 8.370 nan 0.000 0.515 564 P HA -0.142 nan 4.420 nan 0.000 0.222 564 P C 0.504 177.844 177.300 0.067 0.000 1.147 564 P CA 0.933 64.051 63.100 0.031 0.000 0.790 564 P CB -0.001 31.766 31.700 0.112 0.000 0.780 565 Y N -0.044 120.180 120.300 -0.126 0.000 2.532 565 Y HA 0.412 4.922 4.550 -0.067 0.000 0.283 565 Y C 1.276 176.940 175.900 -0.392 0.000 1.181 565 Y CA -0.816 56.930 58.100 -0.589 0.000 1.256 565 Y CB -0.819 37.355 38.460 -0.476 0.000 1.112 565 Y HN -0.116 nan 8.280 nan 0.000 0.521 566 A N 0.654 123.452 122.820 -0.036 0.000 2.548 566 A HA 0.089 4.368 4.320 -0.068 0.000 0.247 566 A C 1.233 178.825 177.584 0.012 0.000 1.067 566 A CA -0.104 51.936 52.037 0.005 0.000 0.757 566 A CB 0.440 19.392 19.000 -0.081 0.000 0.996 566 A HN 0.225 nan 8.150 nan 0.000 0.504 567 K N 0.973 121.403 120.400 0.049 0.000 2.356 567 K HA 0.162 4.441 4.320 -0.068 0.000 0.195 567 K C 0.570 177.275 176.600 0.175 0.000 1.037 567 K CA 0.774 57.120 56.287 0.098 0.000 1.014 567 K CB 0.210 32.767 32.500 0.095 0.000 0.815 567 K HN 0.602 nan 8.250 nan 0.000 0.507 568 S N -0.728 115.045 115.700 0.121 0.000 2.672 568 S HA 0.712 5.141 4.470 -0.068 0.000 0.271 568 S C -1.788 172.831 174.600 0.032 0.000 1.171 568 S CA -0.784 57.480 58.200 0.107 0.000 0.817 568 S CB 0.806 64.097 63.200 0.152 0.000 1.150 568 S HN 0.019 nan 8.310 nan 0.000 0.478 569 L N 1.014 122.251 121.223 0.022 0.000 2.409 569 L HA 0.797 5.096 4.340 -0.068 0.000 0.255 569 L C -0.066 176.779 176.870 -0.043 0.000 1.027 569 L CA -1.204 53.594 54.840 -0.070 0.000 0.834 569 L CB 1.713 43.660 42.059 -0.188 0.000 1.426 569 L HN 0.789 nan 8.230 nan 0.000 0.411 570 A N 0.825 123.448 122.820 -0.328 0.000 2.425 570 A HA 0.352 4.631 4.320 -0.068 0.000 0.242 570 A C 0.117 177.522 177.584 -0.298 0.000 1.077 570 A CA -0.309 51.311 52.037 -0.696 0.000 0.781 570 A CB 0.134 18.287 19.000 -1.411 0.000 1.020 570 A HN 0.701 nan 8.150 nan 0.000 0.494 571 E N 2.214 122.288 120.200 -0.211 0.000 2.608 571 E HA -0.115 4.194 4.350 -0.068 0.000 0.259 571 E C -0.646 175.920 176.600 -0.057 0.000 0.951 571 E CA 0.321 56.656 56.400 -0.108 0.000 0.945 571 E CB 0.396 30.038 29.700 -0.097 0.000 0.916 571 E HN 0.691 nan 8.360 nan 0.000 0.477 572 W N 3.562 124.697 121.300 -0.276 0.000 2.587 572 W HA 0.340 4.959 4.660 -0.070 0.000 0.324 572 W C -1.483 174.869 176.519 -0.280 0.000 1.040 572 W CA -0.813 56.349 57.345 -0.305 0.000 1.222 572 W CB 1.763 31.018 29.460 -0.342 0.000 1.381 572 W HN 0.551 nan 8.180 nan 0.000 0.483 573 D N 2.966 122.755 120.400 -1.018 0.000 2.476 573 D HA 0.113 4.712 4.640 -0.068 0.000 0.251 573 D C 0.916 176.331 176.300 -1.475 0.000 1.291 573 D CA -0.230 53.163 54.000 -1.013 0.000 0.939 573 D CB 1.742 42.225 40.800 -0.528 0.000 1.221 573 D HN 0.292 nan 8.370 nan 0.000 0.567 574 S N 2.724 117.510 115.700 -1.525 0.000 2.469 574 S HA -0.158 4.271 4.470 -0.068 0.000 0.238 574 S C 1.326 175.595 174.600 -0.551 0.000 0.998 574 S CA 0.696 58.163 58.200 -1.222 0.000 0.957 574 S CB -0.463 62.271 63.200 -0.777 0.000 0.764 574 S HN 0.563 nan 8.310 nan 0.000 0.514 575 N N 1.588 120.033 118.700 -0.426 0.000 2.364 575 N HA -0.079 4.620 4.740 -0.068 0.000 0.183 575 N C 1.634 177.019 175.510 -0.209 0.000 1.022 575 N CA 1.469 54.382 53.050 -0.229 0.000 0.883 575 N CB -0.321 38.053 38.487 -0.187 0.000 0.965 575 N HN 0.784 nan 8.380 nan 0.000 0.438 576 T N -2.100 112.266 114.554 -0.313 0.000 3.113 576 T HA 0.096 4.405 4.350 -0.068 0.000 0.256 576 T C 0.740 175.375 174.700 -0.109 0.000 1.131 576 T CA -0.160 61.816 62.100 -0.207 0.000 1.074 576 T CB -0.335 68.390 68.868 -0.239 0.000 0.944 576 T HN -0.190 nan 8.240 nan 0.000 0.516 577 V N 4.133 124.000 119.914 -0.079 0.000 2.694 577 V HA 0.228 4.307 4.120 -0.068 0.000 0.306 577 V C 0.490 176.615 176.094 0.052 0.000 1.054 577 V CA 0.077 62.423 62.300 0.076 0.000 1.161 577 V CB -0.454 31.494 31.823 0.209 0.000 0.916 577 V HN 0.888 nan 8.190 nan 0.000 0.490 578 N N 2.559 121.289 118.700 0.050 0.000 3.229 578 N HA 0.353 5.052 4.740 -0.068 0.000 0.315 578 N C 0.145 175.660 175.510 0.010 0.000 1.520 578 N CA -0.788 52.278 53.050 0.027 0.000 0.769 578 N CB 0.547 39.039 38.487 0.010 0.000 1.766 578 N HN 0.234 nan 8.380 nan 0.000 0.618 579 D N -1.076 119.323 120.400 -0.002 0.000 2.219 579 D HA -0.081 4.518 4.640 -0.068 0.000 0.205 579 D C 0.507 176.783 176.300 -0.041 0.000 0.970 579 D CA 1.193 55.179 54.000 -0.025 0.000 0.851 579 D CB -0.061 40.731 40.800 -0.012 0.000 0.943 579 D HN 0.677 nan 8.370 nan 0.000 0.488 580 D N -0.618 119.770 120.400 -0.022 0.000 2.290 580 D HA 0.072 4.671 4.640 -0.068 0.000 0.224 580 D C 0.157 176.444 176.300 -0.022 0.000 0.967 580 D CA 0.376 54.366 54.000 -0.017 0.000 0.893 580 D CB 0.563 41.365 40.800 0.004 0.000 1.037 580 D HN 0.008 nan 8.370 nan 0.000 0.477 581 I N 0.979 121.543 120.570 -0.010 0.000 2.382 581 I HA 0.267 4.396 4.170 -0.068 0.000 0.285 581 I C -0.054 176.081 176.117 0.031 0.000 1.007 581 I CA -0.360 60.935 61.300 -0.008 0.000 1.142 581 I CB 1.702 39.690 38.000 -0.020 0.000 1.289 581 I HN 0.014 nan 8.210 nan 0.000 0.453 582 K N 3.206 123.624 120.400 0.030 0.000 2.592 582 K HA 0.308 4.588 4.320 -0.068 0.000 0.203 582 K C -0.141 176.656 176.600 0.327 0.000 1.070 582 K CA -0.384 55.995 56.287 0.154 0.000 1.062 582 K CB 0.617 33.070 32.500 -0.078 0.000 0.814 582 K HN 0.565 nan 8.250 nan 0.000 0.502 583 T N -2.981 111.638 114.554 0.108 0.000 2.841 583 T HA 0.717 5.026 4.350 -0.068 0.000 0.296 583 T C -0.176 174.163 174.700 -0.600 0.000 1.166 583 T CA -0.816 61.174 62.100 -0.182 0.000 1.007 583 T CB 1.683 70.468 68.868 -0.139 0.000 1.253 583 T HN 0.164 nan 8.240 nan 0.000 0.511 584 A N 1.211 123.297 122.820 -1.224 0.000 2.386 584 A HA 0.548 4.827 4.320 -0.068 0.000 0.246 584 A C 0.157 177.424 177.584 -0.529 0.000 1.089 584 A CA -0.420 51.045 52.037 -0.954 0.000 0.790 584 A CB -0.118 18.227 19.000 -1.091 0.000 1.042 584 A HN 0.846 nan 8.150 nan 0.000 0.497 585 K N 0.554 120.684 120.400 -0.451 0.000 2.159 585 K HA 0.548 4.827 4.320 -0.068 0.000 0.266 585 K C 0.089 176.435 176.600 -0.424 0.000 0.975 585 K CA -0.291 55.735 56.287 -0.434 0.000 0.865 585 K CB 1.825 34.051 32.500 -0.457 0.000 1.087 585 K HN 0.796 nan 8.250 nan 0.000 0.446 586 A N 1.658 124.129 122.820 -0.583 0.000 2.386 586 A HA 0.557 4.836 4.320 -0.068 0.000 0.246 586 A C -0.367 176.972 177.584 -0.408 0.000 1.089 586 A CA -0.171 51.467 52.037 -0.664 0.000 0.790 586 A CB 0.367 18.596 19.000 -1.286 0.000 1.042 586 A HN 0.761 nan 8.150 nan 0.000 0.497 587 A N 0.120 122.859 122.820 -0.133 0.000 2.401 587 A HA 0.701 4.980 4.320 -0.068 0.000 0.310 587 A C -1.064 176.569 177.584 0.083 0.000 1.075 587 A CA -0.559 51.507 52.037 0.048 0.000 0.746 587 A CB 0.617 19.743 19.000 0.210 0.000 1.277 587 A HN 0.630 nan 8.150 nan 0.000 0.425 588 F N 1.912 122.026 119.950 0.273 0.000 2.413 588 F HA 0.462 4.948 4.527 -0.068 0.000 0.359 588 F C 0.645 176.525 175.800 0.134 0.000 1.122 588 F CA -0.256 57.858 58.000 0.190 0.000 1.160 588 F CB 0.986 40.074 39.000 0.147 0.000 1.146 588 F HN 0.472 nan 8.300 nan 0.000 0.514 589 V N 0.549 120.640 119.914 0.296 0.000 3.130 589 V HA 0.633 4.712 4.120 -0.068 0.000 0.310 589 V C -0.947 175.249 176.094 0.169 0.000 1.158 589 V CA -0.926 61.495 62.300 0.203 0.000 1.029 589 V CB 2.357 34.287 31.823 0.179 0.000 1.057 589 V HN 0.564 nan 8.190 nan 0.000 0.436 590 N N 1.840 120.617 118.700 0.129 0.000 2.776 590 N HA 0.494 5.193 4.740 -0.068 0.000 0.245 590 N C -2.095 173.465 175.510 0.084 0.000 1.121 590 N CA -1.983 51.128 53.050 0.101 0.000 0.852 590 N CB 1.697 40.228 38.487 0.073 0.000 1.142 590 N HN 0.417 nan 8.380 nan 0.000 0.514 591 P HA -0.186 nan 4.420 nan 0.000 0.216 591 P C 1.345 178.627 177.300 -0.030 0.000 1.154 591 P CA 1.540 64.675 63.100 0.058 0.000 0.865 591 P CB 0.219 32.010 31.700 0.152 0.000 0.789 592 S N -1.011 114.685 115.700 -0.007 0.000 2.419 592 S HA -0.204 4.225 4.470 -0.068 0.000 0.233 592 S C 1.856 176.432 174.600 -0.040 0.000 1.016 592 S CA 0.993 59.169 58.200 -0.039 0.000 0.974 592 S CB -1.136 62.060 63.200 -0.007 0.000 0.786 592 S HN 0.287 nan 8.310 nan 0.000 0.492 593 Q N 0.330 120.122 119.800 -0.014 0.000 2.432 593 Q HA 0.318 4.617 4.340 -0.068 0.000 0.205 593 Q C -0.042 175.945 176.000 -0.020 0.000 0.945 593 Q CA 0.255 56.051 55.803 -0.011 0.000 0.924 593 Q CB -0.050 28.694 28.738 0.010 0.000 1.016 593 Q HN 0.572 nan 8.270 nan 0.000 0.503 594 L N -0.403 120.801 121.223 -0.031 0.000 2.334 594 L HA 0.614 4.914 4.340 -0.068 0.000 0.272 594 L C 0.647 177.477 176.870 -0.067 0.000 1.020 594 L CA -0.510 54.313 54.840 -0.028 0.000 0.812 594 L CB 1.457 43.517 42.059 0.003 0.000 1.264 594 L HN 0.186 nan 8.230 nan 0.000 0.439 595 G N 2.066 110.835 108.800 -0.052 0.000 2.828 595 G HA2 -0.154 3.765 3.960 -0.068 0.000 0.463 595 G HA3 -0.154 3.765 3.960 -0.068 0.000 0.463 595 G C -2.890 171.939 174.900 -0.118 0.000 1.394 595 G CA -1.200 43.854 45.100 -0.077 0.000 0.862 595 G HN 0.431 nan 8.290 nan 0.000 0.540 596 P HA 0.182 nan 4.420 nan 0.000 0.263 596 P C 0.677 177.836 177.300 -0.236 0.000 1.195 596 P CA 0.116 63.055 63.100 -0.268 0.000 0.762 596 P CB 0.694 32.055 31.700 -0.565 0.000 0.799 597 Q N 2.275 121.973 119.800 -0.170 0.000 2.435 597 Q HA -0.051 4.248 4.340 -0.068 0.000 0.207 597 Q C 0.826 176.755 176.000 -0.119 0.000 0.956 597 Q CA 0.899 56.627 55.803 -0.125 0.000 0.917 597 Q CB -0.230 28.459 28.738 -0.082 0.000 0.997 597 Q HN 0.579 nan 8.270 nan 0.000 0.497 598 N N 0.015 118.628 118.700 -0.144 0.000 2.251 598 N HA 0.007 4.706 4.740 -0.068 0.000 0.217 598 N C 0.172 175.642 175.510 -0.067 0.000 1.124 598 N CA -0.258 52.743 53.050 -0.082 0.000 0.843 598 N CB -0.226 38.246 38.487 -0.024 0.000 1.024 598 N HN 0.021 nan 8.380 nan 0.000 0.501 599 L N 1.352 122.486 121.223 -0.147 0.000 2.578 599 L HA 0.084 4.384 4.340 -0.068 0.000 0.279 599 L C -0.208 176.621 176.870 -0.067 0.000 1.227 599 L CA 0.692 55.493 54.840 -0.064 0.000 0.900 599 L CB 0.126 42.101 42.059 -0.140 0.000 1.144 599 L HN 0.166 nan 8.230 nan 0.000 0.496 600 S N 3.350 119.053 115.700 0.005 0.000 2.661 600 S HA 0.604 5.033 4.470 -0.068 0.000 0.285 600 S C -0.652 173.803 174.600 -0.242 0.000 1.138 600 S CA -0.649 57.467 58.200 -0.141 0.000 0.855 600 S CB 1.025 64.206 63.200 -0.031 0.000 1.136 600 S HN 0.334 nan 8.310 nan 0.000 0.484 601 F N 1.853 121.733 119.950 -0.117 0.000 2.485 601 F HA 0.498 4.984 4.527 -0.069 0.000 0.327 601 F C 1.286 176.707 175.800 -0.633 0.000 1.203 601 F CA -0.321 57.506 58.000 -0.287 0.000 1.295 601 F CB 0.191 39.114 39.000 -0.128 0.000 1.191 601 F HN 0.675 nan 8.300 nan 0.000 0.588 602 A N 1.332 123.812 122.820 -0.567 0.000 2.466 602 A HA 0.270 4.549 4.320 -0.068 0.000 0.238 602 A C -0.155 177.288 177.584 -0.234 0.000 1.074 602 A CA -0.370 51.317 52.037 -0.582 0.000 0.774 602 A CB -0.024 18.776 19.000 -0.335 0.000 1.015 602 A HN 0.739 nan 8.150 nan 0.000 0.498 603 K N 2.060 122.354 120.400 -0.176 0.000 2.562 603 K HA 0.379 4.658 4.320 -0.068 0.000 0.206 603 K C -1.300 175.258 176.600 -0.070 0.000 1.033 603 K CA 0.169 56.408 56.287 -0.079 0.000 1.029 603 K CB 0.867 33.336 32.500 -0.052 0.000 1.393 603 K HN 0.615 nan 8.250 nan 0.000 0.539 604 I N 2.161 122.687 120.570 -0.073 0.000 2.352 604 I HA 0.183 4.312 4.170 -0.068 0.000 0.290 604 I C 0.635 176.779 176.117 0.044 0.000 1.036 604 I CA -0.614 60.642 61.300 -0.074 0.000 1.336 604 I CB 1.319 39.181 38.000 -0.231 0.000 1.407 604 I HN 0.460 nan 8.210 nan 0.000 0.497 605 A N 5.919 128.758 122.820 0.032 0.000 2.488 605 A HA 0.136 4.415 4.320 -0.068 0.000 0.249 605 A C 0.867 178.510 177.584 0.098 0.000 1.083 605 A CA -0.053 52.017 52.037 0.054 0.000 0.768 605 A CB -0.249 18.770 19.000 0.031 0.000 1.017 605 A HN 0.978 nan 8.150 nan 0.000 0.496 606 N N -0.309 118.448 118.700 0.096 0.000 2.727 606 N HA -0.204 4.495 4.740 -0.068 0.000 0.249 606 N C -0.856 174.746 175.510 0.154 0.000 1.048 606 N CA 1.016 54.122 53.050 0.094 0.000 0.714 606 N CB -1.015 37.514 38.487 0.070 0.000 0.959 606 N HN 0.651 nan 8.380 nan 0.000 0.544 607 F N 1.303 121.265 119.950 0.020 0.000 2.332 607 F HA 0.292 4.777 4.527 -0.070 0.000 0.368 607 F C 0.977 176.794 175.800 0.028 0.000 1.110 607 F CA -0.537 57.485 58.000 0.036 0.000 1.087 607 F CB 0.693 39.724 39.000 0.051 0.000 1.235 607 F HN -0.134 nan 8.300 nan 0.000 0.470 608 K N 3.996 124.138 120.400 -0.430 0.000 2.413 608 K HA 0.495 4.774 4.320 -0.068 0.000 0.204 608 K C 0.224 176.548 176.600 -0.461 0.000 1.041 608 K CA 0.017 56.099 56.287 -0.342 0.000 1.082 608 K CB 1.004 33.406 32.500 -0.163 0.000 0.871 608 K HN 0.766 nan 8.250 nan 0.000 0.535 609 G N 0.917 109.223 108.800 -0.823 0.000 2.316 609 G HA2 -0.033 3.886 3.960 -0.068 0.000 0.296 609 G HA3 -0.033 3.886 3.960 -0.068 0.000 0.296 609 G C -0.237 174.370 174.900 -0.489 0.000 1.399 609 G CA -0.931 43.847 45.100 -0.536 0.000 0.833 609 G HN 0.078 nan 8.290 nan 0.000 0.565 610 R N -0.266 120.125 120.500 -0.182 0.000 2.159 610 R HA -0.147 4.152 4.340 -0.068 0.000 0.237 610 R C 1.966 178.266 176.300 -0.001 0.000 1.131 610 R CA 1.913 58.001 56.100 -0.021 0.000 0.982 610 R CB -0.291 29.998 30.300 -0.017 0.000 0.868 610 R HN 0.547 nan 8.270 nan 0.000 0.453 611 Q N 1.230 121.001 119.800 -0.047 0.000 2.369 611 Q HA -0.123 4.177 4.340 -0.068 0.000 0.206 611 Q C 0.177 176.198 176.000 0.036 0.000 0.963 611 Q CA 1.422 57.218 55.803 -0.012 0.000 0.894 611 Q CB 0.029 28.748 28.738 -0.033 0.000 0.965 611 Q HN 0.375 nan 8.270 nan 0.000 0.475 612 D N 1.293 121.717 120.400 0.039 0.000 2.349 612 D HA 0.198 4.797 4.640 -0.068 0.000 0.215 612 D C 0.082 176.592 176.300 0.350 0.000 1.016 612 D CA 0.514 54.607 54.000 0.156 0.000 0.870 612 D CB 0.218 41.075 40.800 0.095 0.000 0.917 612 D HN 0.386 nan 8.370 nan 0.000 0.524 613 A N 0.623 123.671 122.820 0.380 0.000 2.440 613 A HA 0.370 4.649 4.320 -0.068 0.000 0.251 613 A C 0.038 177.740 177.584 0.197 0.000 1.089 613 A CA -0.166 52.071 52.037 0.333 0.000 0.779 613 A CB 0.626 19.710 19.000 0.139 0.000 1.022 613 A HN -0.023 nan 8.150 nan 0.000 0.492 614 V N 5.248 125.280 119.914 0.197 0.000 2.325 614 V HA 0.260 4.339 4.120 -0.068 0.000 0.280 614 V C -0.169 176.008 176.094 0.137 0.000 1.016 614 V CA -0.050 62.334 62.300 0.140 0.000 0.818 614 V CB 0.562 32.449 31.823 0.108 0.000 1.019 614 V HN 0.738 nan 8.190 nan 0.000 0.434 615 I N 4.456 125.090 120.570 0.107 0.000 2.396 615 I HA 0.386 4.515 4.170 -0.068 0.000 0.292 615 I C -0.792 175.285 176.117 -0.065 0.000 0.999 615 I CA -0.630 60.712 61.300 0.071 0.000 1.310 615 I CB 1.237 39.311 38.000 0.124 0.000 1.404 615 I HN 0.559 nan 8.210 nan 0.000 0.496 616 Y N 5.860 126.066 120.300 -0.157 0.000 2.328 616 Y HA 0.276 4.789 4.550 -0.061 0.000 0.333 616 Y C -0.179 175.609 175.900 -0.187 0.000 0.958 616 Y CA -0.658 57.321 58.100 -0.201 0.000 1.167 616 Y CB 1.112 39.508 38.460 -0.106 0.000 1.151 616 Y HN 0.515 nan 8.280 nan 0.000 0.470 617 E N 5.165 125.029 120.200 -0.561 0.000 2.089 617 E HA 0.628 4.937 4.350 -0.068 0.000 0.284 617 E C -1.391 175.044 176.600 -0.274 0.000 1.023 617 E CA -0.403 55.852 56.400 -0.242 0.000 0.819 617 E CB 0.484 30.206 29.700 0.036 0.000 1.076 617 E HN 0.750 nan 8.360 nan 0.000 0.396 618 A N 4.859 127.610 122.820 -0.115 0.000 2.401 618 A HA 0.343 4.622 4.320 -0.068 0.000 0.310 618 A C -1.285 176.363 177.584 0.106 0.000 1.075 618 A CA -0.737 51.286 52.037 -0.024 0.000 0.746 618 A CB 1.281 20.256 19.000 -0.043 0.000 1.277 618 A HN 0.775 nan 8.150 nan 0.000 0.425 619 H N 2.175 121.311 119.070 0.110 0.000 2.473 619 H HA 0.327 4.842 4.556 -0.068 0.000 0.327 619 H C 0.729 176.167 175.328 0.184 0.000 1.105 619 H CA -0.055 56.061 56.048 0.113 0.000 1.280 619 H CB 1.807 31.706 29.762 0.227 0.000 1.450 619 H HN 0.299 nan 8.280 nan 0.000 0.492 620 V N 5.526 125.330 119.914 -0.184 0.000 2.407 620 V HA -0.250 3.829 4.120 -0.068 0.000 0.248 620 V C 2.635 178.854 176.094 0.207 0.000 1.055 620 V CA 2.119 64.390 62.300 -0.049 0.000 1.049 620 V CB -0.480 30.849 31.823 -0.822 0.000 0.662 620 V HN 0.607 nan 8.190 nan 0.000 0.455 621 R N 0.986 121.701 120.500 0.358 0.000 2.061 621 R HA -0.139 4.160 4.340 -0.068 0.000 0.230 621 R C 1.941 178.542 176.300 0.501 0.000 1.140 621 R CA 2.052 58.463 56.100 0.518 0.000 0.940 621 R CB -0.962 29.749 30.300 0.685 0.000 0.839 621 R HN 0.473 nan 8.270 nan 0.000 0.429 622 D N -0.236 120.520 120.400 0.594 0.000 2.149 622 D HA -0.210 4.389 4.640 -0.068 0.000 0.194 622 D C 1.567 178.147 176.300 0.465 0.000 1.001 622 D CA 1.295 55.576 54.000 0.469 0.000 0.849 622 D CB -0.404 40.665 40.800 0.449 0.000 0.939 622 D HN 0.222 nan 8.370 nan 0.000 0.449 623 F N 0.544 120.638 119.950 0.241 0.000 2.451 623 F HA -0.050 4.435 4.527 -0.069 0.000 0.299 623 F C 1.550 177.478 175.800 0.213 0.000 1.101 623 F CA 1.336 59.368 58.000 0.055 0.000 1.436 623 F CB 0.081 38.931 39.000 -0.251 0.000 1.074 623 F HN -0.013 nan 8.300 nan 0.000 0.553 624 T N -4.238 110.456 114.554 0.234 0.000 3.475 624 T HA 0.141 4.450 4.350 -0.068 0.000 0.310 624 T C 1.111 175.902 174.700 0.151 0.000 0.963 624 T CA 0.342 62.518 62.100 0.126 0.000 0.985 624 T CB -0.826 68.052 68.868 0.017 0.000 1.198 624 T HN 0.119 nan 8.240 nan 0.000 0.508 625 S N -0.284 115.549 115.700 0.222 0.000 2.575 625 S HA 0.141 4.570 4.470 -0.068 0.000 0.215 625 S C 0.430 175.076 174.600 0.077 0.000 0.966 625 S CA -0.293 58.002 58.200 0.158 0.000 0.911 625 S CB -0.332 62.989 63.200 0.202 0.000 0.780 625 S HN 0.431 nan 8.310 nan 0.000 0.514 626 D N 2.297 122.776 120.400 0.130 0.000 2.450 626 D HA 0.062 4.661 4.640 -0.068 0.000 0.247 626 D C 1.020 177.277 176.300 -0.072 0.000 1.162 626 D CA 0.321 54.313 54.000 -0.013 0.000 0.879 626 D CB 0.826 41.786 40.800 0.268 0.000 1.163 626 D HN 0.356 nan 8.370 nan 0.000 0.472 627 Q N 1.716 121.415 119.800 -0.168 0.000 2.234 627 Q HA -0.174 4.125 4.340 -0.068 0.000 0.206 627 Q C 1.855 177.816 176.000 -0.066 0.000 0.980 627 Q CA 1.215 56.955 55.803 -0.106 0.000 0.869 627 Q CB -0.063 28.604 28.738 -0.118 0.000 0.912 627 Q HN 0.477 nan 8.270 nan 0.000 0.436 628 S N 0.435 116.105 115.700 -0.049 0.000 2.420 628 S HA -0.110 4.319 4.470 -0.068 0.000 0.237 628 S C 1.629 176.196 174.600 -0.054 0.000 1.023 628 S CA 0.858 59.044 58.200 -0.024 0.000 0.991 628 S CB -0.052 63.163 63.200 0.024 0.000 0.792 628 S HN 0.368 nan 8.310 nan 0.000 0.488 629 L N 0.922 122.099 121.223 -0.076 0.000 2.554 629 L HA 0.130 4.429 4.340 -0.068 0.000 0.226 629 L C 0.041 176.851 176.870 -0.099 0.000 1.137 629 L CA -0.057 54.702 54.840 -0.135 0.000 0.863 629 L CB -0.373 41.573 42.059 -0.189 0.000 0.985 629 L HN 0.150 nan 8.230 nan 0.000 0.451 630 D N 1.287 121.647 120.400 -0.068 0.000 2.472 630 D HA 0.187 4.787 4.640 -0.068 0.000 0.248 630 D C 1.257 177.526 176.300 -0.052 0.000 1.174 630 D CA 1.341 55.309 54.000 -0.053 0.000 0.883 630 D CB 1.153 41.928 40.800 -0.042 0.000 1.149 630 D HN 0.311 nan 8.370 nan 0.000 0.488 631 G N 3.061 111.831 108.800 -0.050 0.000 2.241 631 G HA2 -0.361 3.559 3.960 -0.068 0.000 0.244 631 G HA3 -0.361 3.559 3.960 -0.068 0.000 0.244 631 G C 1.242 176.107 174.900 -0.059 0.000 0.998 631 G CA 0.397 45.469 45.100 -0.046 0.000 0.621 631 G HN 0.508 nan 8.290 nan 0.000 0.519 632 K N -0.936 119.415 120.400 -0.082 0.000 2.076 632 K HA 0.263 4.542 4.320 -0.068 0.000 0.204 632 K C 0.602 177.142 176.600 -0.100 0.000 1.051 632 K CA 0.619 56.843 56.287 -0.106 0.000 0.949 632 K CB 0.207 32.615 32.500 -0.153 0.000 0.726 632 K HN 0.290 nan 8.250 nan 0.000 0.443 633 L N 1.352 122.519 121.223 -0.093 0.000 2.296 633 L HA 0.151 4.450 4.340 -0.068 0.000 0.286 633 L C 0.786 177.620 176.870 -0.059 0.000 1.023 633 L CA 0.008 54.788 54.840 -0.100 0.000 0.812 633 L CB 1.709 43.710 42.059 -0.096 0.000 1.223 633 L HN -0.212 nan 8.230 nan 0.000 0.421 634 K N 2.073 122.445 120.400 -0.047 0.000 2.296 634 K HA 0.145 4.424 4.320 -0.068 0.000 0.200 634 K C 0.274 176.870 176.600 -0.007 0.000 1.048 634 K CA 0.893 57.166 56.287 -0.024 0.000 0.966 634 K CB 0.192 32.682 32.500 -0.018 0.000 0.754 634 K HN 0.599 nan 8.250 nan 0.000 0.466 635 N N 0.109 118.808 118.700 -0.002 0.000 2.525 635 N HA 0.083 4.783 4.740 -0.068 0.000 0.288 635 N C -0.944 174.576 175.510 0.017 0.000 1.242 635 N CA -0.595 52.467 53.050 0.019 0.000 0.905 635 N CB 0.941 39.454 38.487 0.043 0.000 1.258 635 N HN 0.028 nan 8.380 nan 0.000 0.551 636 Q N 0.999 120.817 119.800 0.030 0.000 2.332 636 Q HA 0.158 4.457 4.340 -0.068 0.000 0.263 636 Q C -0.408 175.617 176.000 0.042 0.000 0.979 636 Q CA -0.658 55.162 55.803 0.029 0.000 0.885 636 Q CB 0.444 29.201 28.738 0.031 0.000 1.218 636 Q HN 0.412 nan 8.270 nan 0.000 0.405 637 L N 1.524 122.769 121.223 0.036 0.000 2.485 637 L HA 0.382 4.681 4.340 -0.068 0.000 0.275 637 L C 0.936 177.865 176.870 0.099 0.000 1.207 637 L CA 0.867 55.740 54.840 0.055 0.000 0.855 637 L CB -0.022 42.063 42.059 0.043 0.000 1.114 637 L HN 0.776 nan 8.230 nan 0.000 0.485 638 G N 0.849 109.732 108.800 0.139 0.000 2.160 638 G HA2 -0.226 3.693 3.960 -0.068 0.000 0.251 638 G HA3 -0.226 3.693 3.960 -0.068 0.000 0.251 638 G C 0.262 175.269 174.900 0.177 0.000 1.008 638 G CA 0.453 45.674 45.100 0.201 0.000 0.724 638 G HN 1.345 nan 8.290 nan 0.000 0.514 639 T N -3.658 110.969 114.554 0.122 0.000 2.940 639 T HA 0.700 5.009 4.350 -0.068 0.000 0.288 639 T C 1.128 175.876 174.700 0.080 0.000 1.045 639 T CA -0.366 61.759 62.100 0.042 0.000 1.018 639 T CB 1.231 70.139 68.868 0.068 0.000 1.151 639 T HN 0.081 nan 8.240 nan 0.000 0.529 640 F N 0.827 120.872 119.950 0.159 0.000 2.126 640 F HA 0.042 4.527 4.527 -0.069 0.000 0.299 640 F C 2.928 178.811 175.800 0.138 0.000 1.096 640 F CA 1.472 59.530 58.000 0.098 0.000 1.255 640 F CB -1.338 37.691 39.000 0.047 0.000 0.997 640 F HN 0.786 nan 8.300 nan 0.000 0.479 641 A N -0.233 122.765 122.820 0.297 0.000 1.969 641 A HA 0.037 4.316 4.320 -0.068 0.000 0.218 641 A C 2.415 180.099 177.584 0.168 0.000 1.169 641 A CA 1.601 53.758 52.037 0.200 0.000 0.635 641 A CB -1.164 17.924 19.000 0.147 0.000 0.810 641 A HN 0.301 nan 8.150 nan 0.000 0.445 642 A N -1.384 121.534 122.820 0.164 0.000 1.897 642 A HA 0.034 4.313 4.320 -0.068 0.000 0.215 642 A C 2.013 179.691 177.584 0.157 0.000 1.181 642 A CA 1.231 53.335 52.037 0.111 0.000 0.620 642 A CB -0.723 18.325 19.000 0.080 0.000 0.821 642 A HN 0.554 nan 8.150 nan 0.000 0.443 643 F N 2.019 122.050 119.950 0.135 0.000 2.115 643 F HA -0.305 4.180 4.527 -0.071 0.000 0.300 643 F C 2.837 178.752 175.800 0.192 0.000 1.092 643 F CA 2.177 60.318 58.000 0.234 0.000 1.245 643 F CB -0.022 39.125 39.000 0.244 0.000 0.995 643 F HN 0.367 nan 8.300 nan 0.000 0.481 644 S N -0.422 115.521 115.700 0.405 0.000 2.419 644 S HA -0.236 4.193 4.470 -0.068 0.000 0.233 644 S C 1.557 176.239 174.600 0.136 0.000 1.016 644 S CA 1.449 59.804 58.200 0.258 0.000 0.974 644 S CB -0.778 62.525 63.200 0.172 0.000 0.786 644 S HN 0.620 nan 8.310 nan 0.000 0.492 645 E N 0.747 120.988 120.200 0.067 0.000 2.472 645 E HA 0.028 4.337 4.350 -0.068 0.000 0.200 645 E C 0.846 177.377 176.600 -0.114 0.000 1.046 645 E CA 0.499 56.879 56.400 -0.034 0.000 0.871 645 E CB 0.070 29.722 29.700 -0.079 0.000 0.806 645 E HN 0.348 nan 8.360 nan 0.000 0.533 646 K N 0.200 120.545 120.400 -0.092 0.000 2.506 646 K HA 0.200 4.479 4.320 -0.068 0.000 0.204 646 K C 1.268 177.964 176.600 0.160 0.000 1.045 646 K CA -0.040 56.154 56.287 -0.156 0.000 1.074 646 K CB 0.649 32.822 32.500 -0.545 0.000 0.842 646 K HN 0.129 nan 8.250 nan 0.000 0.514 647 L N 0.349 121.679 121.223 0.178 0.000 2.217 647 L HA -0.123 4.176 4.340 -0.068 0.000 0.211 647 L C 1.329 178.283 176.870 0.140 0.000 1.107 647 L CA 0.873 55.836 54.840 0.205 0.000 0.783 647 L CB -0.159 42.002 42.059 0.170 0.000 0.919 647 L HN 0.030 nan 8.230 nan 0.000 0.442 648 D N -0.342 120.121 120.400 0.105 0.000 2.123 648 D HA -0.263 4.336 4.640 -0.068 0.000 0.196 648 D C 1.853 178.220 176.300 0.112 0.000 0.992 648 D CA 1.314 55.360 54.000 0.077 0.000 0.833 648 D CB -0.231 40.600 40.800 0.051 0.000 0.954 648 D HN 0.309 nan 8.370 nan 0.000 0.455 649 Y N 1.147 121.488 120.300 0.068 0.000 2.114 649 Y HA -0.204 4.303 4.550 -0.071 0.000 0.282 649 Y C 2.076 178.013 175.900 0.062 0.000 1.165 649 Y CA 1.528 59.702 58.100 0.123 0.000 1.148 649 Y CB -0.346 38.290 38.460 0.293 0.000 0.972 649 Y HN -0.040 nan 8.280 nan 0.000 0.504 650 L N -0.037 121.230 121.223 0.072 0.000 2.109 650 L HA -0.181 4.118 4.340 -0.068 0.000 0.207 650 L C 2.665 179.438 176.870 -0.162 0.000 1.086 650 L CA 1.509 56.249 54.840 -0.166 0.000 0.760 650 L CB -0.662 41.329 42.059 -0.114 0.000 0.910 650 L HN 0.313 nan 8.230 nan 0.000 0.437 651 Q N 0.838 120.598 119.800 -0.067 0.000 2.061 651 Q HA -0.251 4.048 4.340 -0.068 0.000 0.204 651 Q C 2.139 178.089 176.000 -0.083 0.000 0.984 651 Q CA 1.780 57.546 55.803 -0.061 0.000 0.846 651 Q CB 0.125 28.849 28.738 -0.023 0.000 0.902 651 Q HN 0.415 nan 8.270 nan 0.000 0.421 652 K N 0.073 120.416 120.400 -0.095 0.000 2.057 652 K HA -0.156 4.123 4.320 -0.068 0.000 0.206 652 K C 2.111 178.619 176.600 -0.154 0.000 1.050 652 K CA 1.067 57.293 56.287 -0.101 0.000 0.935 652 K CB -0.249 32.203 32.500 -0.081 0.000 0.715 652 K HN 0.149 nan 8.250 nan 0.000 0.439 653 L N 0.285 121.341 121.223 -0.277 0.000 2.043 653 L HA -0.161 4.138 4.340 -0.068 0.000 0.212 653 L C 1.274 178.053 176.870 -0.152 0.000 1.075 653 L CA 2.580 57.251 54.840 -0.282 0.000 0.752 653 L CB -0.594 41.195 42.059 -0.449 0.000 0.891 653 L HN 0.522 nan 8.230 nan 0.000 0.432 654 G N -2.057 106.662 108.800 -0.134 0.000 2.184 654 G HA2 -0.176 3.743 3.960 -0.068 0.000 0.206 654 G HA3 -0.176 3.743 3.960 -0.068 0.000 0.206 654 G C 0.317 175.184 174.900 -0.054 0.000 0.995 654 G CA 0.203 45.258 45.100 -0.074 0.000 0.651 654 G HN 0.859 nan 8.290 nan 0.000 0.511 655 V N -0.133 119.735 119.914 -0.078 0.000 2.999 655 V HA 0.636 4.715 4.120 -0.068 0.000 0.307 655 V C 1.605 177.678 176.094 -0.035 0.000 1.084 655 V CA 1.384 63.666 62.300 -0.029 0.000 1.155 655 V CB 1.001 32.804 31.823 -0.033 0.000 0.975 655 V HN 0.976 nan 8.190 nan 0.000 0.490 656 T N 0.206 114.765 114.554 0.008 0.000 3.010 656 T HA 0.168 4.478 4.350 -0.068 0.000 0.252 656 T C 0.533 175.075 174.700 -0.263 0.000 1.047 656 T CA 0.724 62.770 62.100 -0.089 0.000 1.140 656 T CB -0.361 68.513 68.868 0.011 0.000 0.885 656 T HN 0.851 nan 8.240 nan 0.000 0.464 657 H N -0.159 118.867 119.070 -0.073 0.000 2.589 657 H HA 0.623 5.138 4.556 -0.068 0.000 0.351 657 H C -0.951 174.372 175.328 -0.009 0.000 1.074 657 H CA -0.907 55.101 56.048 -0.066 0.000 1.203 657 H CB 1.494 31.214 29.762 -0.071 0.000 1.558 657 H HN 0.201 nan 8.280 nan 0.000 0.522 658 I N 2.633 123.245 120.570 0.070 0.000 2.312 658 I HA 0.154 4.283 4.170 -0.068 0.000 0.290 658 I C -0.058 176.075 176.117 0.026 0.000 1.008 658 I CA -0.378 60.967 61.300 0.074 0.000 1.226 658 I CB 1.087 39.106 38.000 0.031 0.000 1.371 658 I HN 0.453 nan 8.210 nan 0.000 0.468 659 Q N 7.236 127.063 119.800 0.044 0.000 2.296 659 Q HA 0.500 4.800 4.340 -0.068 0.000 0.257 659 Q C -1.413 174.569 176.000 -0.029 0.000 0.942 659 Q CA -0.585 55.230 55.803 0.021 0.000 0.939 659 Q CB 1.134 29.938 28.738 0.110 0.000 1.198 659 Q HN 0.622 nan 8.270 nan 0.000 0.429 660 L N 4.675 125.842 121.223 -0.093 0.000 2.282 660 L HA 0.327 4.626 4.340 -0.068 0.000 0.288 660 L C -0.311 176.481 176.870 -0.130 0.000 1.033 660 L CA -0.946 53.805 54.840 -0.150 0.000 0.807 660 L CB 0.957 42.874 42.059 -0.238 0.000 1.209 660 L HN 0.594 nan 8.230 nan 0.000 0.423 661 L N 4.951 126.080 121.223 -0.157 0.000 2.492 661 L HA 0.058 4.357 4.340 -0.068 0.000 0.280 661 L C -1.867 174.852 176.870 -0.251 0.000 1.240 661 L CA -0.653 54.056 54.840 -0.218 0.000 0.831 661 L CB -0.479 41.449 42.059 -0.219 0.000 1.100 661 L HN 0.378 nan 8.230 nan 0.000 0.505 662 P HA -0.098 nan 4.420 nan 0.000 0.251 662 P C 0.517 177.830 177.300 0.022 0.000 1.154 662 P CA 0.421 63.410 63.100 -0.186 0.000 0.805 662 P CB 0.105 31.600 31.700 -0.341 0.000 0.759 663 V N 2.341 122.293 119.914 0.063 0.000 3.506 663 V HA 0.105 4.184 4.120 -0.068 0.000 0.263 663 V C 0.782 176.982 176.094 0.177 0.000 1.203 663 V CA 0.454 62.896 62.300 0.237 0.000 1.133 663 V CB -0.832 31.114 31.823 0.206 0.000 0.802 663 V HN 0.144 nan 8.190 nan 0.000 0.459 664 L N 1.472 122.742 121.223 0.078 0.000 2.464 664 L HA 0.292 4.591 4.340 -0.068 0.000 0.264 664 L C 1.035 177.917 176.870 0.020 0.000 1.199 664 L CA 0.337 55.196 54.840 0.031 0.000 0.818 664 L CB 0.784 42.842 42.059 -0.001 0.000 1.102 664 L HN 0.235 nan 8.230 nan 0.000 0.473 665 S N 0.982 116.636 115.700 -0.077 0.000 2.544 665 S HA 0.089 4.518 4.470 -0.068 0.000 0.290 665 S C -0.713 173.817 174.600 -0.117 0.000 1.276 665 S CA -0.299 57.786 58.200 -0.191 0.000 1.075 665 S CB -0.280 62.778 63.200 -0.238 0.000 0.849 665 S HN 0.352 nan 8.310 nan 0.000 0.494 666 Y N 3.414 123.668 120.300 -0.077 0.000 2.549 666 Y HA 0.631 5.142 4.550 -0.064 0.000 0.339 666 Y C 0.492 176.444 175.900 0.087 0.000 1.053 666 Y CA -1.512 56.583 58.100 -0.010 0.000 1.105 666 Y CB 0.419 38.890 38.460 0.019 0.000 1.258 666 Y HN 0.510 nan 8.280 nan 0.000 0.478 667 F N 0.582 120.619 119.950 0.145 0.000 2.147 667 F HA 0.209 4.695 4.527 -0.069 0.000 0.291 667 F C 0.280 176.194 175.800 0.190 0.000 1.093 667 F CA 0.256 58.305 58.000 0.082 0.000 1.263 667 F CB 0.008 38.848 39.000 -0.268 0.000 1.036 667 F HN 0.477 nan 8.300 nan 0.000 0.481 668 Y N 1.497 122.107 120.300 0.516 0.000 2.573 668 Y HA 0.434 4.943 4.550 -0.068 0.000 0.346 668 Y C -0.146 175.859 175.900 0.175 0.000 1.198 668 Y CA -0.223 58.057 58.100 0.299 0.000 1.627 668 Y CB 0.193 38.842 38.460 0.315 0.000 1.457 668 Y HN -0.155 nan 8.280 nan 0.000 0.483 669 V N 2.894 122.856 119.914 0.080 0.000 3.177 669 V HA 0.337 4.417 4.120 -0.068 0.000 0.287 669 V C -1.839 174.097 176.094 -0.265 0.000 1.465 669 V CA -0.877 61.411 62.300 -0.020 0.000 1.020 669 V CB 2.580 34.412 31.823 0.015 0.000 1.152 669 V HN 0.595 nan 8.190 nan 0.000 0.448 670 N N 2.833 121.409 118.700 -0.206 0.000 2.564 670 N HA 0.422 5.121 4.740 -0.068 0.000 0.248 670 N C 0.418 175.810 175.510 -0.197 0.000 0.986 670 N CA -0.207 52.686 53.050 -0.261 0.000 0.921 670 N CB 1.660 40.026 38.487 -0.202 0.000 1.136 670 N HN 0.730 nan 8.380 nan 0.000 0.509 671 E N 2.122 122.188 120.200 -0.223 0.000 2.418 671 E HA -0.008 4.301 4.350 -0.068 0.000 0.197 671 E C 0.799 177.319 176.600 -0.134 0.000 1.026 671 E CA 0.658 56.951 56.400 -0.179 0.000 0.862 671 E CB 0.157 29.749 29.700 -0.181 0.000 0.799 671 E HN 0.610 nan 8.360 nan 0.000 0.518 672 M N 0.648 120.167 119.600 -0.135 0.000 2.561 672 M HA 0.065 4.504 4.480 -0.068 0.000 0.238 672 M C 0.208 176.460 176.300 -0.081 0.000 1.131 672 M CA 0.551 55.790 55.300 -0.102 0.000 1.046 672 M CB -0.362 32.172 32.600 -0.110 0.000 1.532 672 M HN -0.120 nan 8.290 nan 0.000 0.497 673 D N 0.958 121.308 120.400 -0.082 0.000 2.461 673 D HA 0.218 4.817 4.640 -0.068 0.000 0.240 673 D C 0.207 176.485 176.300 -0.036 0.000 1.094 673 D CA 0.003 53.969 54.000 -0.057 0.000 0.868 673 D CB 0.817 41.580 40.800 -0.061 0.000 1.062 673 D HN 0.047 nan 8.370 nan 0.000 0.530 674 K N 1.251 121.638 120.400 -0.022 0.000 2.387 674 K HA 0.105 4.384 4.320 -0.068 0.000 0.198 674 K C 0.584 177.192 176.600 0.013 0.000 1.022 674 K CA -0.231 56.057 56.287 0.001 0.000 1.128 674 K CB 0.301 32.802 32.500 0.002 0.000 0.853 674 K HN 0.447 nan 8.250 nan 0.000 0.523 675 S N 1.295 116.996 115.700 0.001 0.000 2.560 675 S HA 0.046 4.475 4.470 -0.068 0.000 0.284 675 S C 0.196 174.801 174.600 0.009 0.000 1.327 675 S CA -0.753 57.447 58.200 -0.001 0.000 1.055 675 S CB 1.060 64.253 63.200 -0.012 0.000 0.868 675 S HN 0.265 nan 8.310 nan 0.000 0.506 676 R N 1.723 122.223 120.500 0.000 0.000 2.442 676 R HA 0.177 4.476 4.340 -0.068 0.000 0.291 676 R C -0.300 175.984 176.300 -0.027 0.000 1.069 676 R CA -0.070 56.025 56.100 -0.008 0.000 1.022 676 R CB 0.292 30.576 30.300 -0.027 0.000 0.976 676 R HN 0.859 nan 8.270 nan 0.000 0.443 677 S N 2.552 118.231 115.700 -0.035 0.000 2.399 677 S HA 0.079 4.509 4.470 -0.068 0.000 0.301 677 S C 0.988 175.521 174.600 -0.112 0.000 1.093 677 S CA -0.484 57.679 58.200 -0.062 0.000 1.077 677 S CB 1.473 64.637 63.200 -0.060 0.000 0.980 677 S HN 0.778 nan 8.310 nan 0.000 0.494 678 T N 0.006 114.499 114.554 -0.100 0.000 3.037 678 T HA 0.373 4.682 4.350 -0.068 0.000 0.252 678 T C 0.845 175.464 174.700 -0.135 0.000 1.073 678 T CA 0.266 62.290 62.100 -0.126 0.000 1.091 678 T CB -0.202 68.625 68.868 -0.069 0.000 0.935 678 T HN 0.842 nan 8.240 nan 0.000 0.488 679 A N 0.950 123.726 122.820 -0.074 0.000 2.407 679 A HA 0.504 4.783 4.320 -0.068 0.000 0.248 679 A C -0.735 176.810 177.584 -0.065 0.000 1.082 679 A CA -0.510 51.526 52.037 -0.001 0.000 0.785 679 A CB -0.312 18.700 19.000 0.021 0.000 1.020 679 A HN 0.552 nan 8.150 nan 0.000 0.489 680 Y N 1.846 122.125 120.300 -0.035 0.000 2.585 680 Y HA 0.377 4.884 4.550 -0.071 0.000 0.354 680 Y C 1.198 177.075 175.900 -0.038 0.000 1.024 680 Y CA 0.689 58.758 58.100 -0.052 0.000 1.321 680 Y CB 0.673 39.087 38.460 -0.076 0.000 1.151 680 Y HN 0.758 nan 8.280 nan 0.000 0.525 681 T N -2.297 112.264 114.554 0.012 0.000 2.896 681 T HA 0.405 4.714 4.350 -0.068 0.000 0.297 681 T C 0.430 175.074 174.700 -0.094 0.000 1.108 681 T CA -0.712 61.375 62.100 -0.020 0.000 1.004 681 T CB 1.656 70.506 68.868 -0.029 0.000 1.159 681 T HN 0.361 nan 8.240 nan 0.000 0.499 682 S N -0.187 115.443 115.700 -0.116 0.000 2.593 682 S HA 0.521 4.950 4.470 -0.068 0.000 0.236 682 S C 0.190 174.676 174.600 -0.191 0.000 0.991 682 S CA -0.484 57.618 58.200 -0.164 0.000 0.963 682 S CB -0.112 62.989 63.200 -0.165 0.000 0.865 682 S HN 0.702 nan 8.310 nan 0.000 0.488 683 S N 1.280 116.882 115.700 -0.163 0.000 2.570 683 S HA 0.537 4.967 4.470 -0.068 0.000 0.270 683 S C -1.334 173.185 174.600 -0.135 0.000 1.149 683 S CA -0.517 57.581 58.200 -0.170 0.000 0.837 683 S CB 1.532 64.667 63.200 -0.109 0.000 1.124 683 S HN 0.261 nan 8.310 nan 0.000 0.465 684 D N 1.370 121.687 120.400 -0.139 0.000 2.718 684 D HA -0.146 4.453 4.640 -0.068 0.000 0.242 684 D C -0.811 175.441 176.300 -0.079 0.000 1.123 684 D CA 0.778 54.723 54.000 -0.093 0.000 0.690 684 D CB -1.303 39.461 40.800 -0.061 0.000 1.059 684 D HN 0.485 nan 8.370 nan 0.000 0.429 685 N N 0.187 118.832 118.700 -0.091 0.000 2.272 685 N HA 0.182 4.881 4.740 -0.068 0.000 0.305 685 N C 0.934 176.441 175.510 -0.005 0.000 1.103 685 N CA -0.673 52.350 53.050 -0.045 0.000 0.791 685 N CB 1.385 39.842 38.487 -0.050 0.000 1.356 685 N HN 0.029 nan 8.380 nan 0.000 0.486 686 N N 0.525 119.237 118.700 0.020 0.000 2.364 686 N HA -0.165 4.535 4.740 -0.068 0.000 0.183 686 N C 0.004 175.564 175.510 0.083 0.000 1.022 686 N CA 0.800 53.871 53.050 0.035 0.000 0.883 686 N CB -0.236 38.261 38.487 0.017 0.000 0.965 686 N HN 0.529 nan 8.380 nan 0.000 0.438 687 Y N 1.074 121.361 120.300 -0.021 0.000 2.903 687 Y HA 0.054 4.562 4.550 -0.070 0.000 0.338 687 Y C -0.074 175.802 175.900 -0.040 0.000 1.265 687 Y CA 0.593 58.685 58.100 -0.014 0.000 1.532 687 Y CB 0.160 38.567 38.460 -0.088 0.000 1.293 687 Y HN 0.091 nan 8.280 nan 0.000 0.609 688 N N 5.086 123.401 118.700 -0.642 0.000 2.452 688 N HA 0.040 4.739 4.740 -0.068 0.000 0.277 688 N C -0.269 174.949 175.510 -0.487 0.000 1.078 688 N CA -0.692 52.102 53.050 -0.427 0.000 0.947 688 N CB 0.338 38.709 38.487 -0.193 0.000 1.655 688 N HN 0.728 nan 8.380 nan 0.000 0.490 689 W N 2.725 123.862 121.300 -0.271 0.000 2.338 689 W HA 0.100 4.712 4.660 -0.080 0.000 0.304 689 W C 1.475 177.721 176.519 -0.454 0.000 1.212 689 W CA 2.241 59.528 57.345 -0.098 0.000 1.264 689 W CB -0.572 29.001 29.460 0.188 0.000 1.142 689 W HN 0.860 nan 8.180 nan 0.000 0.512 690 G N -2.648 105.865 108.800 -0.478 0.000 2.151 690 G HA2 -0.244 3.675 3.960 -0.068 0.000 0.140 690 G HA3 -0.244 3.675 3.960 -0.068 0.000 0.140 690 G C -0.188 174.440 174.900 -0.453 0.000 1.020 690 G CA -0.302 44.273 45.100 -0.875 0.000 0.688 690 G HN 0.206 nan 8.290 nan 0.000 0.500 691 Y N 1.875 122.205 120.300 0.051 0.000 2.775 691 Y HA 0.366 4.878 4.550 -0.062 0.000 0.349 691 Y C 0.325 176.322 175.900 0.161 0.000 1.094 691 Y CA -0.711 57.450 58.100 0.103 0.000 1.467 691 Y CB 0.380 38.922 38.460 0.137 0.000 1.272 691 Y HN 0.124 nan 8.280 nan 0.000 0.515 692 D N 0.505 121.042 120.400 0.227 0.000 2.607 692 D HA 0.207 4.806 4.640 -0.068 0.000 0.318 692 D C -2.850 173.520 176.300 0.117 0.000 1.212 692 D CA -1.475 52.684 54.000 0.265 0.000 0.861 692 D CB 1.168 42.242 40.800 0.458 0.000 1.064 692 D HN 0.083 nan 8.370 nan 0.000 0.500 693 P HA 0.036 nan 4.420 nan 0.000 0.267 693 P C 0.612 177.792 177.300 -0.200 0.000 1.209 693 P CA 0.291 63.294 63.100 -0.161 0.000 0.763 693 P CB 1.369 32.907 31.700 -0.271 0.000 0.816 694 Q N 2.302 121.979 119.800 -0.205 0.000 2.462 694 Q HA 0.127 4.427 4.340 -0.068 0.000 0.224 694 Q C 0.218 176.011 176.000 -0.345 0.000 0.911 694 Q CA 0.423 56.084 55.803 -0.235 0.000 0.925 694 Q CB 0.449 29.058 28.738 -0.216 0.000 1.063 694 Q HN 0.421 nan 8.270 nan 0.000 0.572 695 S N -1.469 114.013 115.700 -0.364 0.000 2.570 695 S HA 0.409 4.839 4.470 -0.068 0.000 0.286 695 S C -1.007 173.385 174.600 -0.347 0.000 1.099 695 S CA -0.687 57.331 58.200 -0.302 0.000 0.913 695 S CB 0.887 63.999 63.200 -0.146 0.000 1.085 695 S HN 0.329 nan 8.310 nan 0.000 0.480 696 Y N 1.845 122.191 120.300 0.077 0.000 2.444 696 Y HA 0.423 4.931 4.550 -0.070 0.000 0.249 696 Y C 0.700 176.495 175.900 -0.174 0.000 1.134 696 Y CA -0.155 57.915 58.100 -0.050 0.000 1.261 696 Y CB 0.135 38.603 38.460 0.014 0.000 1.143 696 Y HN 0.650 nan 8.280 nan 0.000 0.523 697 F N -1.034 118.985 119.950 0.114 0.000 2.619 697 F HA 0.460 4.947 4.527 -0.067 0.000 0.281 697 F C 1.309 177.188 175.800 0.131 0.000 1.065 697 F CA -0.175 57.885 58.000 0.100 0.000 1.304 697 F CB -0.120 38.820 39.000 -0.101 0.000 1.059 697 F HN -0.211 nan 8.300 nan 0.000 0.648 698 A N 1.960 124.922 122.820 0.236 0.000 2.320 698 A HA 0.530 4.810 4.320 -0.068 0.000 0.287 698 A C -0.174 177.457 177.584 0.079 0.000 1.181 698 A CA -0.404 51.719 52.037 0.143 0.000 0.831 698 A CB -0.096 18.926 19.000 0.037 0.000 1.102 698 A HN 0.234 nan 8.150 nan 0.000 0.513 699 L N 1.809 123.095 121.223 0.105 0.000 2.452 699 L HA 0.194 4.493 4.340 -0.068 0.000 0.267 699 L C 1.302 178.177 176.870 0.008 0.000 1.188 699 L CA -0.206 54.677 54.840 0.071 0.000 0.821 699 L CB 0.855 42.986 42.059 0.119 0.000 1.102 699 L HN 0.769 nan 8.230 nan 0.000 0.470 700 S N 0.642 116.326 115.700 -0.028 0.000 2.562 700 S HA 0.153 4.583 4.470 -0.068 0.000 0.281 700 S C 1.088 175.584 174.600 -0.173 0.000 1.333 700 S CA -0.107 57.961 58.200 -0.221 0.000 1.052 700 S CB 1.179 64.126 63.200 -0.421 0.000 0.884 700 S HN 0.765 nan 8.310 nan 0.000 0.506 701 G N 3.549 112.216 108.800 -0.222 0.000 2.813 701 G HA2 -0.043 3.876 3.960 -0.068 0.000 0.209 701 G HA3 -0.043 3.876 3.960 -0.068 0.000 0.209 701 G C 1.082 175.827 174.900 -0.258 0.000 1.150 701 G CA 0.187 45.191 45.100 -0.159 0.000 0.785 701 G HN 0.679 nan 8.290 nan 0.000 0.535 702 M N 0.116 119.422 119.600 -0.491 0.000 2.213 702 M HA 0.073 4.513 4.480 -0.068 0.000 0.263 702 M C 1.055 177.041 176.300 -0.523 0.000 1.062 702 M CA 1.061 56.014 55.300 -0.579 0.000 1.105 702 M CB -0.172 31.930 32.600 -0.831 0.000 1.385 702 M HN 0.275 nan 8.290 nan 0.000 0.417 703 Y N -1.585 118.542 120.300 -0.288 0.000 2.524 703 Y HA 0.463 4.972 4.550 -0.069 0.000 0.266 703 Y C 0.849 176.478 175.900 -0.451 0.000 1.180 703 Y CA -0.804 56.964 58.100 -0.553 0.000 1.244 703 Y CB -0.726 36.992 38.460 -1.236 0.000 1.125 703 Y HN 0.069 nan 8.280 nan 0.000 0.524 704 S N 0.231 115.883 115.700 -0.079 0.000 2.525 704 S HA 0.213 4.642 4.470 -0.068 0.000 0.290 704 S C 1.008 175.629 174.600 0.035 0.000 1.152 704 S CA -0.490 57.743 58.200 0.056 0.000 1.072 704 S CB 1.163 64.416 63.200 0.089 0.000 1.027 704 S HN 0.441 nan 8.310 nan 0.000 0.500 705 E N 2.466 122.707 120.200 0.069 0.000 2.208 705 E HA 0.003 4.312 4.350 -0.068 0.000 0.193 705 E C 0.004 176.626 176.600 0.037 0.000 0.988 705 E CA 0.762 57.191 56.400 0.049 0.000 0.828 705 E CB 0.152 29.889 29.700 0.061 0.000 0.763 705 E HN 0.504 nan 8.360 nan 0.000 0.478 706 K N 0.791 121.219 120.400 0.047 0.000 2.762 706 K HA 0.154 4.433 4.320 -0.068 0.000 0.180 706 K C -2.211 174.412 176.600 0.039 0.000 1.067 706 K CA -1.212 55.099 56.287 0.039 0.000 0.973 706 K CB 1.511 34.039 32.500 0.048 0.000 1.290 706 K HN -0.075 nan 8.250 nan 0.000 0.604 707 P HA -0.170 nan 4.420 nan 0.000 0.219 707 P C 0.485 177.796 177.300 0.019 0.000 1.146 707 P CA 1.095 64.197 63.100 0.003 0.000 0.808 707 P CB 0.307 31.982 31.700 -0.041 0.000 0.779 708 K N -0.693 119.722 120.400 0.025 0.000 2.432 708 K HA -0.033 4.247 4.320 -0.068 0.000 0.196 708 K C 0.695 177.360 176.600 0.109 0.000 1.038 708 K CA 0.376 56.695 56.287 0.053 0.000 0.986 708 K CB -0.168 32.350 32.500 0.031 0.000 0.782 708 K HN 0.080 nan 8.250 nan 0.000 0.485 709 D N 0.713 121.166 120.400 0.088 0.000 2.412 709 D HA 0.077 4.676 4.640 -0.068 0.000 0.224 709 D C -1.856 174.512 176.300 0.113 0.000 1.093 709 D CA -2.621 51.434 54.000 0.092 0.000 0.850 709 D CB 1.468 42.307 40.800 0.065 0.000 1.046 709 D HN -0.124 nan 8.370 nan 0.000 0.507 710 P HA -0.041 nan 4.420 nan 0.000 0.226 710 P C 0.964 178.348 177.300 0.140 0.000 1.153 710 P CA 0.401 63.596 63.100 0.158 0.000 0.777 710 P CB 0.495 32.320 31.700 0.207 0.000 0.794 711 S N -0.042 115.729 115.700 0.118 0.000 2.436 711 S HA 0.071 4.500 4.470 -0.068 0.000 0.228 711 S C 2.112 176.781 174.600 0.115 0.000 1.014 711 S CA 0.826 59.095 58.200 0.114 0.000 0.950 711 S CB -0.633 62.620 63.200 0.089 0.000 0.784 711 S HN 0.174 nan 8.310 nan 0.000 0.504 712 A N 3.494 126.381 122.820 0.111 0.000 1.865 712 A HA -0.197 4.082 4.320 -0.068 0.000 0.217 712 A C 2.177 179.852 177.584 0.153 0.000 1.191 712 A CA 1.627 53.732 52.037 0.114 0.000 0.623 712 A CB -0.648 18.413 19.000 0.102 0.000 0.826 712 A HN 0.583 nan 8.150 nan 0.000 0.444 713 R N 0.079 120.689 120.500 0.183 0.000 2.127 713 R HA -0.084 4.215 4.340 -0.068 0.000 0.238 713 R C 1.868 178.305 176.300 0.229 0.000 1.134 713 R CA 1.867 58.121 56.100 0.257 0.000 0.975 713 R CB -0.884 29.572 30.300 0.261 0.000 0.865 713 R HN 0.526 nan 8.270 nan 0.000 0.447 714 I N 1.799 122.511 120.570 0.237 0.000 2.202 714 I HA -0.203 3.926 4.170 -0.068 0.000 0.242 714 I C 2.831 179.067 176.117 0.198 0.000 1.091 714 I CA 1.426 62.917 61.300 0.317 0.000 1.368 714 I CB -0.438 37.714 38.000 0.254 0.000 1.058 714 I HN 0.269 nan 8.210 nan 0.000 0.410 715 A N 0.442 123.330 122.820 0.114 0.000 1.933 715 A HA -0.211 4.068 4.320 -0.068 0.000 0.218 715 A C 2.182 179.801 177.584 0.058 0.000 1.175 715 A CA 1.637 53.709 52.037 0.058 0.000 0.628 715 A CB -0.536 18.495 19.000 0.052 0.000 0.814 715 A HN 0.441 nan 8.150 nan 0.000 0.444 716 E N -0.873 119.386 120.200 0.099 0.000 2.106 716 E HA -0.138 4.171 4.350 -0.068 0.000 0.192 716 E C 1.902 178.463 176.600 -0.065 0.000 0.984 716 E CA 1.078 57.549 56.400 0.118 0.000 0.806 716 E CB -0.179 29.700 29.700 0.300 0.000 0.750 716 E HN 0.488 nan 8.360 nan 0.000 0.458 717 L N 1.527 122.565 121.223 -0.307 0.000 2.072 717 L HA -0.107 4.192 4.340 -0.068 0.000 0.205 717 L C 1.796 178.526 176.870 -0.234 0.000 1.079 717 L CA 1.755 56.178 54.840 -0.695 0.000 0.752 717 L CB -0.107 41.402 42.059 -0.917 0.000 0.906 717 L HN -0.120 nan 8.230 nan 0.000 0.436 718 K N -0.905 119.503 120.400 0.013 0.000 2.063 718 K HA -0.253 4.026 4.320 -0.068 0.000 0.208 718 K C 2.151 178.729 176.600 -0.037 0.000 1.048 718 K CA 1.687 57.981 56.287 0.013 0.000 0.928 718 K CB -0.132 32.342 32.500 -0.043 0.000 0.713 718 K HN 0.306 nan 8.250 nan 0.000 0.442 719 Q N 1.215 120.999 119.800 -0.026 0.000 2.046 719 Q HA -0.133 4.167 4.340 -0.068 0.000 0.200 719 Q C 1.950 177.962 176.000 0.021 0.000 0.975 719 Q CA 1.159 56.972 55.803 0.017 0.000 0.836 719 Q CB -0.287 28.471 28.738 0.033 0.000 0.896 719 Q HN 0.217 nan 8.270 nan 0.000 0.428 720 L N -0.018 121.188 121.223 -0.028 0.000 2.042 720 L HA -0.129 4.170 4.340 -0.068 0.000 0.210 720 L C 2.003 178.798 176.870 -0.126 0.000 1.076 720 L CA 1.806 56.619 54.840 -0.045 0.000 0.749 720 L CB -0.544 41.462 42.059 -0.087 0.000 0.893 720 L HN 0.402 nan 8.230 nan 0.000 0.432 721 I N -1.368 119.083 120.570 -0.197 0.000 2.315 721 I HA -0.286 3.843 4.170 -0.068 0.000 0.248 721 I C 2.443 178.311 176.117 -0.415 0.000 1.117 721 I CA 1.273 62.365 61.300 -0.346 0.000 1.404 721 I CB -0.413 37.399 38.000 -0.314 0.000 1.071 721 I HN 0.407 nan 8.210 nan 0.000 0.419 722 H N 1.290 120.207 119.070 -0.255 0.000 2.387 722 H HA -0.181 4.334 4.556 -0.068 0.000 0.299 722 H C 1.704 176.985 175.328 -0.077 0.000 1.090 722 H CA 1.853 57.825 56.048 -0.127 0.000 1.332 722 H CB -0.046 29.680 29.762 -0.060 0.000 1.386 722 H HN 0.235 nan 8.280 nan 0.000 0.516 723 D N -0.244 120.132 120.400 -0.041 0.000 2.178 723 D HA -0.105 4.494 4.640 -0.068 0.000 0.202 723 D C 2.343 178.604 176.300 -0.065 0.000 0.974 723 D CA 0.981 54.954 54.000 -0.045 0.000 0.841 723 D CB -0.150 40.665 40.800 0.026 0.000 0.953 723 D HN 0.468 nan 8.370 nan 0.000 0.478 724 I N 0.334 120.838 120.570 -0.110 0.000 2.202 724 I HA -0.254 3.875 4.170 -0.068 0.000 0.242 724 I C 2.157 178.239 176.117 -0.057 0.000 1.091 724 I CA 1.185 62.425 61.300 -0.100 0.000 1.368 724 I CB -0.306 37.590 38.000 -0.173 0.000 1.058 724 I HN 0.119 nan 8.210 nan 0.000 0.410 725 H N 0.292 119.291 119.070 -0.119 0.000 2.387 725 H HA -0.193 4.321 4.556 -0.069 0.000 0.299 725 H C 2.230 177.464 175.328 -0.157 0.000 1.090 725 H CA 1.074 57.039 56.048 -0.138 0.000 1.332 725 H CB 0.047 29.731 29.762 -0.131 0.000 1.386 725 H HN 0.204 nan 8.280 nan 0.000 0.516 726 K N 1.369 121.719 120.400 -0.084 0.000 2.152 726 K HA -0.130 4.149 4.320 -0.068 0.000 0.206 726 K C 1.334 177.900 176.600 -0.056 0.000 1.048 726 K CA 1.147 57.367 56.287 -0.112 0.000 0.933 726 K CB 0.126 32.535 32.500 -0.151 0.000 0.721 726 K HN 0.222 nan 8.250 nan 0.000 0.447 727 R N -0.848 119.629 120.500 -0.040 0.000 2.480 727 R HA 0.107 4.406 4.340 -0.068 0.000 0.277 727 R C 0.539 176.817 176.300 -0.037 0.000 1.008 727 R CA 0.449 56.531 56.100 -0.029 0.000 1.090 727 R CB 0.592 30.882 30.300 -0.017 0.000 1.234 727 R HN 0.424 nan 8.270 nan 0.000 0.549 728 G N 0.899 109.675 108.800 -0.041 0.000 2.153 728 G HA2 -0.312 3.607 3.960 -0.068 0.000 0.252 728 G HA3 -0.312 3.607 3.960 -0.068 0.000 0.252 728 G C 0.121 174.964 174.900 -0.095 0.000 0.994 728 G CA 0.332 45.397 45.100 -0.057 0.000 0.698 728 G HN 0.231 nan 8.290 nan 0.000 0.521 729 M N -0.586 118.962 119.600 -0.088 0.000 2.811 729 M HA 0.661 5.100 4.480 -0.068 0.000 0.303 729 M C 0.777 176.990 176.300 -0.146 0.000 1.227 729 M CA -0.142 55.064 55.300 -0.156 0.000 0.874 729 M CB 2.041 34.575 32.600 -0.112 0.000 1.681 729 M HN 0.249 nan 8.290 nan 0.000 0.500 730 G N -0.069 108.534 108.800 -0.328 0.000 2.600 730 G HA2 0.653 4.572 3.960 -0.068 0.000 0.303 730 G HA3 0.653 4.572 3.960 -0.068 0.000 0.303 730 G C -2.018 172.811 174.900 -0.118 0.000 1.253 730 G CA -0.533 44.424 45.100 -0.240 0.000 0.974 730 G HN 0.521 nan 8.290 nan 0.000 0.483 731 V N 0.567 120.472 119.914 -0.015 0.000 2.555 731 V HA 0.728 4.807 4.120 -0.068 0.000 0.302 731 V C -0.775 175.283 176.094 -0.059 0.000 1.038 731 V CA -0.892 61.367 62.300 -0.069 0.000 0.887 731 V CB 1.400 33.123 31.823 -0.167 0.000 0.991 731 V HN 0.556 nan 8.190 nan 0.000 0.434 732 I N 6.696 127.216 120.570 -0.084 0.000 2.465 732 I HA 0.441 4.570 4.170 -0.068 0.000 0.291 732 I C -0.764 175.242 176.117 -0.185 0.000 1.014 732 I CA -0.592 60.618 61.300 -0.151 0.000 1.093 732 I CB 1.989 39.962 38.000 -0.046 0.000 1.267 732 I HN 0.354 nan 8.210 nan 0.000 0.431 733 L N 4.842 125.893 121.223 -0.287 0.000 2.282 733 L HA 0.356 4.655 4.340 -0.068 0.000 0.288 733 L C -0.134 176.710 176.870 -0.043 0.000 1.033 733 L CA -0.606 54.138 54.840 -0.160 0.000 0.807 733 L CB 1.225 43.201 42.059 -0.138 0.000 1.209 733 L HN 0.525 nan 8.230 nan 0.000 0.423 734 D N 3.239 123.620 120.400 -0.032 0.000 2.383 734 D HA 0.308 4.907 4.640 -0.068 0.000 0.252 734 D C -0.702 175.585 176.300 -0.021 0.000 1.166 734 D CA 0.030 54.034 54.000 0.006 0.000 0.879 734 D CB 1.316 42.124 40.800 0.012 0.000 1.164 734 D HN 0.234 nan 8.370 nan 0.000 0.462 735 V N 1.241 121.134 119.914 -0.036 0.000 2.876 735 V HA 0.632 4.711 4.120 -0.068 0.000 0.312 735 V C -0.270 175.770 176.094 -0.092 0.000 1.085 735 V CA -0.881 61.330 62.300 -0.148 0.000 0.945 735 V CB 2.066 33.754 31.823 -0.226 0.000 1.017 735 V HN 0.206 nan 8.190 nan 0.000 0.428 736 V N 4.159 123.948 119.914 -0.208 0.000 2.468 736 V HA 0.296 4.375 4.120 -0.068 0.000 0.256 736 V C -0.086 176.029 176.094 0.035 0.000 0.998 736 V CA -0.067 62.260 62.300 0.045 0.000 1.114 736 V CB -0.453 31.444 31.823 0.124 0.000 1.378 736 V HN 0.967 nan 8.190 nan 0.000 0.573 737 Y N 1.230 121.639 120.300 0.181 0.000 2.546 737 Y HA -0.054 4.455 4.550 -0.068 0.000 0.287 737 Y C 2.250 178.312 175.900 0.270 0.000 1.158 737 Y CA 0.863 58.952 58.100 -0.019 0.000 1.307 737 Y CB -0.540 37.777 38.460 -0.238 0.000 1.036 737 Y HN 0.718 nan 8.280 nan 0.000 0.532 738 N N -0.100 118.872 118.700 0.453 0.000 2.244 738 N HA -0.150 4.549 4.740 -0.068 0.000 0.183 738 N C 0.457 176.145 175.510 0.296 0.000 1.016 738 N CA 1.601 54.782 53.050 0.218 0.000 0.866 738 N CB -0.250 38.366 38.487 0.215 0.000 0.980 738 N HN 0.374 nan 8.380 nan 0.000 0.430 739 H N -2.505 116.708 119.070 0.238 0.000 3.037 739 H HA 0.406 4.921 4.556 -0.069 0.000 0.355 739 H C -1.311 174.175 175.328 0.263 0.000 1.263 739 H CA -0.574 55.613 56.048 0.231 0.000 1.129 739 H CB 0.950 30.869 29.762 0.263 0.000 1.861 739 H HN 0.117 nan 8.280 nan 0.000 0.546 740 T N -2.110 112.526 114.554 0.137 0.000 2.952 740 T HA 0.614 4.923 4.350 -0.068 0.000 0.286 740 T C 1.321 176.049 174.700 0.046 0.000 1.024 740 T CA -0.246 61.874 62.100 0.033 0.000 1.029 740 T CB 1.670 70.636 68.868 0.164 0.000 1.094 740 T HN 0.780 nan 8.240 nan 0.000 0.515 741 A N 0.827 123.600 122.820 -0.077 0.000 1.930 741 A HA 0.173 4.452 4.320 -0.068 0.000 0.217 741 A C 0.886 178.312 177.584 -0.263 0.000 1.175 741 A CA 0.916 52.889 52.037 -0.108 0.000 0.627 741 A CB -0.273 18.559 19.000 -0.279 0.000 0.815 741 A HN 0.635 nan 8.150 nan 0.000 0.443 742 K N -1.072 119.069 120.400 -0.432 0.000 2.507 742 K HA 0.342 4.621 4.320 -0.068 0.000 0.251 742 K C 0.188 176.526 176.600 -0.436 0.000 0.943 742 K CA -0.208 55.705 56.287 -0.623 0.000 0.794 742 K CB 1.330 32.995 32.500 -1.390 0.000 1.188 742 K HN 0.085 nan 8.250 nan 0.000 0.428 743 T N 1.156 115.555 114.554 -0.259 0.000 2.803 743 T HA -0.182 4.127 4.350 -0.068 0.000 0.269 743 T C 1.670 176.412 174.700 0.069 0.000 1.052 743 T CA 1.895 63.921 62.100 -0.124 0.000 1.136 743 T CB -0.366 68.428 68.868 -0.124 0.000 0.864 743 T HN 0.651 nan 8.240 nan 0.000 0.467 744 Y N 1.209 121.558 120.300 0.082 0.000 2.403 744 Y HA 0.111 4.621 4.550 -0.067 0.000 0.291 744 Y C 1.882 177.835 175.900 0.088 0.000 1.143 744 Y CA -0.039 58.119 58.100 0.097 0.000 1.257 744 Y CB -1.327 37.161 38.460 0.046 0.000 0.984 744 Y HN 0.114 nan 8.280 nan 0.000 0.550 745 L N -1.056 120.174 121.223 0.013 0.000 2.051 745 L HA -0.253 4.046 4.340 -0.068 0.000 0.214 745 L C 1.859 178.651 176.870 -0.129 0.000 1.076 745 L CA 1.950 56.766 54.840 -0.041 0.000 0.758 745 L CB -0.491 41.469 42.059 -0.166 0.000 0.890 745 L HN 0.253 nan 8.230 nan 0.000 0.433 746 F N -1.877 118.127 119.950 0.090 0.000 2.602 746 F HA 0.009 4.495 4.527 -0.068 0.000 0.284 746 F C 2.402 178.332 175.800 0.217 0.000 1.111 746 F CA 0.230 58.231 58.000 0.002 0.000 1.405 746 F CB 0.053 38.889 39.000 -0.273 0.000 1.121 746 F HN -0.106 nan 8.300 nan 0.000 0.603 747 E N 0.814 121.327 120.200 0.521 0.000 2.150 747 E HA -0.176 4.133 4.350 -0.068 0.000 0.193 747 E C 1.506 178.300 176.600 0.323 0.000 0.985 747 E CA 1.492 58.172 56.400 0.465 0.000 0.814 747 E CB -0.220 29.747 29.700 0.445 0.000 0.752 747 E HN 0.164 nan 8.360 nan 0.000 0.466 748 D N -0.325 120.236 120.400 0.269 0.000 2.178 748 D HA -0.123 4.476 4.640 -0.068 0.000 0.201 748 D C 1.851 178.241 176.300 0.150 0.000 0.980 748 D CA 0.858 54.965 54.000 0.177 0.000 0.842 748 D CB -0.049 40.835 40.800 0.139 0.000 0.948 748 D HN 0.335 nan 8.370 nan 0.000 0.472 749 I N -0.321 120.367 120.570 0.195 0.000 2.193 749 I HA -0.126 4.003 4.170 -0.068 0.000 0.240 749 I C 0.647 176.887 176.117 0.206 0.000 1.084 749 I CA 0.699 62.112 61.300 0.188 0.000 1.365 749 I CB 0.190 38.344 38.000 0.257 0.000 1.064 749 I HN -0.130 nan 8.210 nan 0.000 0.410 750 E N 1.412 121.820 120.200 0.347 0.000 2.317 750 E HA 0.322 4.631 4.350 -0.068 0.000 0.270 750 E C -2.641 174.148 176.600 0.316 0.000 0.899 750 E CA -2.460 54.084 56.400 0.240 0.000 0.814 750 E CB 1.545 31.346 29.700 0.170 0.000 1.296 750 E HN -0.136 nan 8.360 nan 0.000 0.404 751 P HA 0.200 nan 4.420 nan 0.000 0.276 751 P C -0.736 176.730 177.300 0.277 0.000 1.244 751 P CA -0.148 63.102 63.100 0.250 0.000 0.801 751 P CB 0.463 32.267 31.700 0.174 0.000 1.006 752 N N -0.070 118.804 118.700 0.290 0.000 2.696 752 N HA -0.264 4.435 4.740 -0.068 0.000 0.256 752 N C -0.292 175.442 175.510 0.374 0.000 1.031 752 N CA 0.963 54.186 53.050 0.289 0.000 0.730 752 N CB -1.717 36.907 38.487 0.229 0.000 0.894 752 N HN 0.698 nan 8.380 nan 0.000 0.544 753 Y N -1.275 119.163 120.300 0.230 0.000 3.307 753 Y HA 0.099 4.608 4.550 -0.067 0.000 0.183 753 Y C 1.314 177.310 175.900 0.161 0.000 0.998 753 Y CA 0.016 58.227 58.100 0.185 0.000 1.715 753 Y CB -0.445 38.105 38.460 0.149 0.000 1.432 753 Y HN -0.006 nan 8.280 nan 0.000 0.339 754 Y N 1.428 121.812 120.300 0.140 0.000 2.224 754 Y HA -0.050 4.460 4.550 -0.068 0.000 0.289 754 Y C 0.700 176.285 175.900 -0.525 0.000 1.146 754 Y CA 1.892 59.873 58.100 -0.200 0.000 1.182 754 Y CB -0.591 37.733 38.460 -0.226 0.000 0.983 754 Y HN 0.213 nan 8.280 nan 0.000 0.524 755 H N -1.919 117.159 119.070 0.014 0.000 2.488 755 H HA 0.226 4.741 4.556 -0.068 0.000 0.347 755 H C -0.585 174.611 175.328 -0.220 0.000 1.174 755 H CA -1.200 54.759 56.048 -0.149 0.000 1.307 755 H CB 0.414 30.187 29.762 0.018 0.000 1.517 755 H HN -0.211 nan 8.280 nan 0.000 0.554 756 F N 1.343 121.221 119.950 -0.119 0.000 2.602 756 F HA 0.049 4.534 4.527 -0.069 0.000 0.367 756 F C 0.411 176.216 175.800 0.009 0.000 1.126 756 F CA 0.636 58.546 58.000 -0.151 0.000 1.321 756 F CB 0.082 38.947 39.000 -0.225 0.000 1.094 756 F HN 0.295 nan 8.300 nan 0.000 0.594 757 M N 2.788 122.555 119.600 0.278 0.000 2.591 757 M HA 0.328 4.767 4.480 -0.068 0.000 0.306 757 M C -0.308 176.083 176.300 0.152 0.000 1.190 757 M CA -0.921 54.505 55.300 0.210 0.000 0.889 757 M CB 1.896 34.645 32.600 0.248 0.000 1.728 757 M HN 0.438 nan 8.290 nan 0.000 0.458 758 N N 1.011 119.778 118.700 0.112 0.000 2.424 758 N HA 0.085 4.784 4.740 -0.068 0.000 0.257 758 N C 0.253 175.824 175.510 0.101 0.000 1.250 758 N CA -0.014 53.085 53.050 0.082 0.000 0.946 758 N CB 0.782 39.301 38.487 0.055 0.000 1.175 758 N HN 0.664 nan 8.380 nan 0.000 0.477 759 E N 0.045 120.293 120.200 0.081 0.000 2.265 759 E HA -0.192 4.117 4.350 -0.068 0.000 0.196 759 E C 0.459 177.101 176.600 0.070 0.000 0.996 759 E CA 0.949 57.397 56.400 0.080 0.000 0.832 759 E CB 0.022 29.757 29.700 0.058 0.000 0.756 759 E HN 0.551 nan 8.360 nan 0.000 0.491 760 D N -0.952 119.485 120.400 0.062 0.000 2.349 760 D HA -0.018 4.581 4.640 -0.068 0.000 0.224 760 D C 1.356 177.698 176.300 0.071 0.000 1.029 760 D CA 0.883 54.915 54.000 0.053 0.000 0.879 760 D CB 0.250 41.073 40.800 0.039 0.000 0.906 760 D HN 0.210 nan 8.370 nan 0.000 0.528 761 G N 0.168 109.028 108.800 0.101 0.000 2.234 761 G HA2 -0.283 3.636 3.960 -0.068 0.000 0.235 761 G HA3 -0.283 3.636 3.960 -0.068 0.000 0.235 761 G C 0.420 175.402 174.900 0.136 0.000 0.997 761 G CA 0.307 45.485 45.100 0.130 0.000 0.623 761 G HN 0.847 nan 8.290 nan 0.000 0.514 762 S N 1.948 117.712 115.700 0.107 0.000 2.560 762 S HA 0.543 4.972 4.470 -0.068 0.000 0.284 762 S C -1.851 172.817 174.600 0.112 0.000 1.327 762 S CA -0.443 57.817 58.200 0.100 0.000 1.055 762 S CB 1.631 64.872 63.200 0.067 0.000 0.868 762 S HN 0.451 nan 8.310 nan 0.000 0.506 763 P HA 0.231 nan 4.420 nan 0.000 0.276 763 P C -0.584 176.736 177.300 0.032 0.000 1.230 763 P CA -0.448 62.713 63.100 0.101 0.000 0.776 763 P CB 0.512 32.244 31.700 0.052 0.000 0.888 764 R N 2.253 122.782 120.500 0.048 0.000 2.490 764 R HA 0.294 4.593 4.340 -0.068 0.000 0.280 764 R C 0.520 176.796 176.300 -0.040 0.000 1.077 764 R CA -0.044 56.059 56.100 0.005 0.000 1.065 764 R CB 0.667 30.977 30.300 0.018 0.000 1.003 764 R HN 0.520 nan 8.270 nan 0.000 0.470 765 E N 0.231 120.394 120.200 -0.062 0.000 2.312 765 E HA 0.394 4.704 4.350 -0.068 0.000 0.267 765 E C -1.244 175.298 176.600 -0.096 0.000 0.894 765 E CA -0.675 55.679 56.400 -0.078 0.000 0.773 765 E CB 2.491 32.145 29.700 -0.077 0.000 1.241 765 E HN 0.323 nan 8.360 nan 0.000 0.432 766 S N 1.189 116.842 115.700 -0.079 0.000 2.562 766 S HA 0.377 4.806 4.470 -0.068 0.000 0.274 766 S C -1.105 173.410 174.600 -0.142 0.000 1.160 766 S CA -0.563 57.516 58.200 -0.201 0.000 0.933 766 S CB 0.187 63.325 63.200 -0.104 0.000 1.100 766 S HN 0.621 nan 8.310 nan 0.000 0.468 767 F N 2.543 122.372 119.950 -0.201 0.000 3.067 767 F HA -0.186 4.298 4.527 -0.072 0.000 0.279 767 F C 1.547 177.330 175.800 -0.029 0.000 0.945 767 F CA 1.386 59.266 58.000 -0.200 0.000 0.948 767 F CB -1.668 37.027 39.000 -0.508 0.000 0.898 767 F HN 1.263 nan 8.300 nan 0.000 0.746 768 G N -1.513 107.333 108.800 0.076 0.000 2.179 768 G HA2 0.073 3.992 3.960 -0.068 0.000 0.260 768 G HA3 0.073 3.992 3.960 -0.068 0.000 0.260 768 G C 0.638 175.581 174.900 0.073 0.000 0.977 768 G CA 0.222 45.377 45.100 0.093 0.000 0.641 768 G HN 1.515 nan 8.290 nan 0.000 0.533 769 G N -1.232 107.627 108.800 0.097 0.000 3.135 769 G HA2 0.795 4.714 3.960 -0.068 0.000 0.278 769 G HA3 0.795 4.714 3.960 -0.068 0.000 0.278 769 G C 0.154 175.058 174.900 0.006 0.000 1.302 769 G CA 0.031 45.158 45.100 0.045 0.000 0.880 769 G HN 1.291 nan 8.290 nan 0.000 0.574 770 G N -0.496 108.281 108.800 -0.039 0.000 2.377 770 G HA2 0.522 4.442 3.960 -0.068 0.000 0.299 770 G HA3 0.522 4.442 3.960 -0.068 0.000 0.299 770 G C -0.311 174.628 174.900 0.066 0.000 1.150 770 G CA -0.673 44.285 45.100 -0.237 0.000 0.847 770 G HN 0.468 nan 8.290 nan 0.000 0.501 771 R N 1.440 121.970 120.500 0.049 0.000 2.272 771 R HA 0.105 4.405 4.340 -0.068 0.000 0.334 771 R C -0.306 176.027 176.300 0.055 0.000 1.117 771 R CA -0.679 55.494 56.100 0.122 0.000 0.966 771 R CB 0.823 31.206 30.300 0.138 0.000 1.049 771 R HN 0.341 nan 8.270 nan 0.000 0.477 772 L N 2.798 124.014 121.223 -0.010 0.000 2.562 772 L HA 0.067 4.366 4.340 -0.068 0.000 0.271 772 L C 0.643 177.050 176.870 -0.772 0.000 1.167 772 L CA 0.711 55.387 54.840 -0.273 0.000 0.917 772 L CB 0.656 42.606 42.059 -0.182 0.000 1.187 772 L HN 0.670 nan 8.230 nan 0.000 0.482 773 G N 2.786 110.870 108.800 -1.193 0.000 2.915 773 G HA2 0.238 4.157 3.960 -0.068 0.000 0.298 773 G HA3 0.238 4.157 3.960 -0.068 0.000 0.298 773 G C 0.902 174.891 174.900 -1.519 0.000 0.837 773 G CA 0.232 43.917 45.100 -2.358 0.000 1.752 773 G HN 0.848 nan 8.290 nan 0.000 0.526 774 T N -1.355 112.642 114.554 -0.928 0.000 3.160 774 T HA -0.096 4.213 4.350 -0.068 0.000 0.257 774 T C 2.130 176.662 174.700 -0.280 0.000 1.147 774 T CA 0.998 62.842 62.100 -0.425 0.000 1.064 774 T CB -0.127 68.629 68.868 -0.186 0.000 0.949 774 T HN 0.405 nan 8.240 nan 0.000 0.526 775 T N -1.238 113.138 114.554 -0.297 0.000 3.067 775 T HA 0.051 4.360 4.350 -0.068 0.000 0.261 775 T C 0.621 175.250 174.700 -0.117 0.000 1.110 775 T CA -0.041 62.006 62.100 -0.088 0.000 1.113 775 T CB -0.748 68.186 68.868 0.111 0.000 0.917 775 T HN 0.694 nan 8.240 nan 0.000 0.499 776 H N 0.424 119.142 119.070 -0.588 0.000 2.610 776 H HA 0.577 5.093 4.556 -0.067 0.000 0.336 776 H C 1.553 176.791 175.328 -0.150 0.000 1.087 776 H CA -0.609 55.104 56.048 -0.558 0.000 1.405 776 H CB 1.339 30.456 29.762 -1.075 0.000 1.460 776 H HN 0.217 nan 8.280 nan 0.000 0.538 777 A N 3.916 126.875 122.820 0.231 0.000 1.892 777 A HA -0.212 4.067 4.320 -0.068 0.000 0.218 777 A C 2.091 179.713 177.584 0.064 0.000 1.188 777 A CA 1.542 53.668 52.037 0.147 0.000 0.631 777 A CB -0.166 18.935 19.000 0.167 0.000 0.822 777 A HN 0.629 nan 8.150 nan 0.000 0.447 778 M N -0.192 119.446 119.600 0.063 0.000 2.419 778 M HA 0.031 4.470 4.480 -0.068 0.000 0.264 778 M C 2.128 178.522 176.300 0.155 0.000 1.082 778 M CA 1.146 56.402 55.300 -0.074 0.000 1.119 778 M CB -1.413 30.773 32.600 -0.691 0.000 1.398 778 M HN 0.382 nan 8.290 nan 0.000 0.453 779 S N 0.282 116.064 115.700 0.136 0.000 2.371 779 S HA -0.060 4.369 4.470 -0.068 0.000 0.224 779 S C 1.988 176.521 174.600 -0.112 0.000 1.029 779 S CA 0.918 59.128 58.200 0.017 0.000 0.978 779 S CB -0.168 62.897 63.200 -0.226 0.000 0.833 779 S HN 0.441 nan 8.310 nan 0.000 0.466 780 R N 1.306 121.736 120.500 -0.116 0.000 2.081 780 R HA 0.007 4.306 4.340 -0.068 0.000 0.235 780 R C 2.447 178.691 176.300 -0.092 0.000 1.131 780 R CA 1.072 57.089 56.100 -0.139 0.000 0.960 780 R CB -0.094 30.150 30.300 -0.094 0.000 0.856 780 R HN 0.254 nan 8.270 nan 0.000 0.436 781 R N -0.183 120.321 120.500 0.006 0.000 2.091 781 R HA -0.126 4.173 4.340 -0.068 0.000 0.238 781 R C 2.259 178.645 176.300 0.143 0.000 1.136 781 R CA 1.733 57.890 56.100 0.095 0.000 0.959 781 R CB -0.407 29.990 30.300 0.162 0.000 0.856 781 R HN 0.136 nan 8.270 nan 0.000 0.437 782 V N 1.725 121.722 119.914 0.137 0.000 2.287 782 V HA -0.273 3.806 4.120 -0.068 0.000 0.248 782 V C 2.338 178.334 176.094 -0.163 0.000 1.053 782 V CA 1.848 64.207 62.300 0.097 0.000 1.027 782 V CB -0.479 31.424 31.823 0.133 0.000 0.646 782 V HN 0.338 nan 8.190 nan 0.000 0.447 783 L N -0.421 120.573 121.223 -0.382 0.000 1.994 783 L HA -0.143 4.156 4.340 -0.068 0.000 0.208 783 L C 2.379 178.902 176.870 -0.578 0.000 1.071 783 L CA 1.740 56.067 54.840 -0.854 0.000 0.745 783 L CB -0.180 41.315 42.059 -0.940 0.000 0.892 783 L HN 0.147 nan 8.230 nan 0.000 0.431 784 V N 0.115 119.839 119.914 -0.318 0.000 2.358 784 V HA -0.254 3.826 4.120 -0.068 0.000 0.246 784 V C 2.160 178.213 176.094 -0.069 0.000 1.047 784 V CA 1.934 64.125 62.300 -0.181 0.000 1.035 784 V CB -0.751 31.012 31.823 -0.100 0.000 0.658 784 V HN 0.499 nan 8.190 nan 0.000 0.452 785 D N 0.627 121.051 120.400 0.040 0.000 2.144 785 D HA -0.120 4.479 4.640 -0.068 0.000 0.199 785 D C 2.438 178.829 176.300 0.151 0.000 0.984 785 D CA 1.781 55.917 54.000 0.228 0.000 0.834 785 D CB -0.285 40.829 40.800 0.524 0.000 0.955 785 D HN 0.600 nan 8.370 nan 0.000 0.465 786 S N 0.607 116.141 115.700 -0.276 0.000 2.368 786 S HA -0.091 4.338 4.470 -0.068 0.000 0.224 786 S C 2.130 176.645 174.600 -0.141 0.000 1.029 786 S CA 0.370 58.195 58.200 -0.625 0.000 0.988 786 S CB -0.290 62.388 63.200 -0.870 0.000 0.838 786 S HN 0.114 nan 8.310 nan 0.000 0.462 787 I N 2.430 122.878 120.570 -0.203 0.000 2.226 787 I HA -0.125 4.004 4.170 -0.068 0.000 0.245 787 I C 2.458 178.552 176.117 -0.038 0.000 1.100 787 I CA 1.443 62.553 61.300 -0.318 0.000 1.374 787 I CB -0.917 36.804 38.000 -0.465 0.000 1.057 787 I HN 0.376 nan 8.210 nan 0.000 0.413 788 K N -0.242 120.191 120.400 0.054 0.000 2.057 788 K HA -0.221 4.058 4.320 -0.068 0.000 0.206 788 K C 2.220 178.973 176.600 0.255 0.000 1.050 788 K CA 1.356 57.737 56.287 0.157 0.000 0.935 788 K CB -0.382 32.212 32.500 0.156 0.000 0.715 788 K HN 0.219 nan 8.250 nan 0.000 0.439 789 Y N 1.771 122.189 120.300 0.197 0.000 2.114 789 Y HA -0.183 4.326 4.550 -0.069 0.000 0.284 789 Y C 1.747 177.834 175.900 0.311 0.000 1.143 789 Y CA 1.364 59.626 58.100 0.270 0.000 1.135 789 Y CB -0.336 38.359 38.460 0.392 0.000 0.980 789 Y HN -0.098 nan 8.280 nan 0.000 0.499 790 L N -0.571 120.786 121.223 0.224 0.000 2.042 790 L HA -0.261 4.038 4.340 -0.068 0.000 0.210 790 L C 2.347 179.405 176.870 0.313 0.000 1.076 790 L CA 1.910 56.912 54.840 0.270 0.000 0.749 790 L CB -1.035 41.264 42.059 0.400 0.000 0.893 790 L HN 0.259 nan 8.230 nan 0.000 0.432 791 T N -0.721 114.074 114.554 0.402 0.000 2.643 791 T HA -0.178 4.131 4.350 -0.068 0.000 0.264 791 T C 2.110 177.013 174.700 0.339 0.000 1.045 791 T CA 1.842 64.202 62.100 0.433 0.000 1.155 791 T CB -0.285 68.841 68.868 0.430 0.000 0.863 791 T HN 0.543 nan 8.240 nan 0.000 0.420 792 S N 1.074 116.908 115.700 0.223 0.000 2.395 792 S HA -0.015 4.414 4.470 -0.068 0.000 0.225 792 S C 1.992 176.547 174.600 -0.074 0.000 1.027 792 S CA 1.033 59.313 58.200 0.134 0.000 0.965 792 S CB -0.214 63.072 63.200 0.142 0.000 0.812 792 S HN 0.355 nan 8.310 nan 0.000 0.482 793 E N 1.113 121.198 120.200 -0.191 0.000 2.051 793 E HA 0.149 4.458 4.350 -0.068 0.000 0.189 793 E C 1.051 177.327 176.600 -0.539 0.000 0.979 793 E CA 1.016 57.149 56.400 -0.445 0.000 0.803 793 E CB -0.401 28.796 29.700 -0.839 0.000 0.761 793 E HN 0.620 nan 8.360 nan 0.000 0.451 794 F N 0.910 120.713 119.950 -0.245 0.000 2.765 794 F HA 0.253 4.740 4.527 -0.066 0.000 0.302 794 F C 0.249 175.942 175.800 -0.178 0.000 1.111 794 F CA -0.007 57.872 58.000 -0.201 0.000 1.359 794 F CB 0.411 39.296 39.000 -0.192 0.000 1.097 794 F HN -0.207 nan 8.300 nan 0.000 0.577 795 K N 0.407 120.746 120.400 -0.102 0.000 3.150 795 K HA -0.155 4.125 4.320 -0.068 0.000 0.267 795 K C -0.470 176.224 176.600 0.157 0.000 1.028 795 K CA 0.126 56.215 56.287 -0.330 0.000 0.753 795 K CB -2.407 29.776 32.500 -0.528 0.000 1.288 795 K HN 0.090 nan 8.250 nan 0.000 0.473 796 V N 1.252 121.308 119.914 0.238 0.000 2.715 796 V HA 0.013 4.092 4.120 -0.068 0.000 0.299 796 V C 1.624 177.813 176.094 0.157 0.000 1.054 796 V CA 0.121 62.471 62.300 0.083 0.000 1.077 796 V CB 1.076 32.779 31.823 -0.199 0.000 0.972 796 V HN 0.269 nan 8.190 nan 0.000 0.484 797 D N 2.563 122.998 120.400 0.060 0.000 2.360 797 D HA 0.274 4.873 4.640 -0.068 0.000 0.210 797 D C 0.636 176.933 176.300 -0.004 0.000 1.047 797 D CA 0.857 54.910 54.000 0.087 0.000 0.854 797 D CB 1.338 42.217 40.800 0.132 0.000 0.936 797 D HN 0.740 nan 8.370 nan 0.000 0.514 798 G N -0.016 108.656 108.800 -0.212 0.000 2.451 798 G HA2 0.459 4.378 3.960 -0.068 0.000 0.292 798 G HA3 0.459 4.378 3.960 -0.068 0.000 0.292 798 G C -1.980 172.581 174.900 -0.565 0.000 1.427 798 G CA -0.833 44.145 45.100 -0.205 0.000 0.792 798 G HN -0.037 nan 8.290 nan 0.000 0.498 799 F N -0.232 119.698 119.950 -0.033 0.000 2.578 799 F HA 0.708 5.193 4.527 -0.070 0.000 0.311 799 F C 0.251 175.941 175.800 -0.184 0.000 1.094 799 F CA -0.865 57.035 58.000 -0.167 0.000 0.923 799 F CB 2.751 41.555 39.000 -0.326 0.000 1.230 799 F HN 0.358 nan 8.300 nan 0.000 0.450 800 R N 2.625 123.113 120.500 -0.020 0.000 2.343 800 R HA 0.501 4.800 4.340 -0.068 0.000 0.320 800 R C -1.857 174.416 176.300 -0.044 0.000 0.956 800 R CA -0.561 55.558 56.100 0.032 0.000 0.836 800 R CB 0.814 31.199 30.300 0.142 0.000 1.151 800 R HN 0.554 nan 8.270 nan 0.000 0.450 801 F N 2.387 122.440 119.950 0.172 0.000 2.411 801 F HA 0.153 4.637 4.527 -0.071 0.000 0.355 801 F C 0.706 176.585 175.800 0.133 0.000 1.117 801 F CA -0.438 57.659 58.000 0.162 0.000 1.139 801 F CB 1.080 40.161 39.000 0.136 0.000 1.120 801 F HN 0.475 nan 8.300 nan 0.000 0.493 802 D N 4.240 124.832 120.400 0.320 0.000 2.390 802 D HA 0.162 4.761 4.640 -0.068 0.000 0.249 802 D C 0.355 176.792 176.300 0.228 0.000 1.144 802 D CA 0.071 54.202 54.000 0.218 0.000 0.880 802 D CB 0.485 41.433 40.800 0.247 0.000 1.182 802 D HN 0.414 nan 8.370 nan 0.000 0.451 803 M N 3.735 123.402 119.600 0.112 0.000 2.175 803 M HA -0.270 4.169 4.480 -0.068 0.000 0.192 803 M C 0.787 177.178 176.300 0.152 0.000 0.473 803 M CA 0.581 55.952 55.300 0.118 0.000 0.414 803 M CB -1.582 31.126 32.600 0.179 0.000 1.069 803 M HN 0.780 nan 8.290 nan 0.000 0.933 804 M N -0.461 119.217 119.600 0.130 0.000 2.267 804 M HA -0.104 4.335 4.480 -0.068 0.000 0.263 804 M C 1.823 178.189 176.300 0.109 0.000 1.063 804 M CA 2.327 57.732 55.300 0.174 0.000 1.090 804 M CB -0.119 32.532 32.600 0.083 0.000 1.392 804 M HN 0.632 nan 8.290 nan 0.000 0.422 805 G N -0.494 108.338 108.800 0.053 0.000 2.559 805 G HA2 -0.195 3.724 3.960 -0.068 0.000 0.216 805 G HA3 -0.195 3.724 3.960 -0.068 0.000 0.216 805 G C 0.755 175.737 174.900 0.136 0.000 1.126 805 G CA 0.779 45.922 45.100 0.072 0.000 0.778 805 G HN 0.434 nan 8.290 nan 0.000 0.543 806 D N -0.262 120.179 120.400 0.068 0.000 2.269 806 D HA 0.017 4.616 4.640 -0.068 0.000 0.208 806 D C 0.760 177.076 176.300 0.027 0.000 0.963 806 D CA 0.486 54.468 54.000 -0.030 0.000 0.864 806 D CB 0.035 40.736 40.800 -0.164 0.000 0.936 806 D HN 0.303 nan 8.370 nan 0.000 0.505 807 H N 1.157 120.341 119.070 0.190 0.000 2.482 807 H HA 0.099 4.613 4.556 -0.069 0.000 0.344 807 H C 0.282 175.639 175.328 0.048 0.000 1.151 807 H CA -0.471 55.657 56.048 0.134 0.000 1.300 807 H CB 0.875 30.582 29.762 -0.092 0.000 1.494 807 H HN 0.171 nan 8.280 nan 0.000 0.542 808 D N 0.441 120.953 120.400 0.185 0.000 2.414 808 D HA 0.030 4.629 4.640 -0.068 0.000 0.242 808 D C 0.859 176.946 176.300 -0.356 0.000 1.129 808 D CA -0.228 53.695 54.000 -0.129 0.000 0.885 808 D CB 1.180 41.963 40.800 -0.028 0.000 1.198 808 D HN 0.524 nan 8.370 nan 0.000 0.437 809 A N 2.677 125.135 122.820 -0.604 0.000 1.972 809 A HA -0.033 4.246 4.320 -0.068 0.000 0.219 809 A C 2.237 179.450 177.584 -0.618 0.000 1.169 809 A CA 1.960 53.379 52.037 -1.029 0.000 0.635 809 A CB -0.777 17.403 19.000 -1.367 0.000 0.810 809 A HN 0.754 nan 8.150 nan 0.000 0.446 810 A N -0.066 122.546 122.820 -0.345 0.000 1.902 810 A HA 0.126 4.405 4.320 -0.068 0.000 0.217 810 A C 2.492 179.978 177.584 -0.162 0.000 1.181 810 A CA 2.119 54.048 52.037 -0.181 0.000 0.623 810 A CB -0.958 17.979 19.000 -0.104 0.000 0.818 810 A HN 1.046 nan 8.150 nan 0.000 0.443 811 A N -0.192 122.506 122.820 -0.203 0.000 1.898 811 A HA -0.012 4.267 4.320 -0.068 0.000 0.216 811 A C 1.965 179.384 177.584 -0.275 0.000 1.181 811 A CA 1.577 53.482 52.037 -0.220 0.000 0.620 811 A CB -0.411 18.443 19.000 -0.244 0.000 0.819 811 A HN 0.413 nan 8.150 nan 0.000 0.442 812 I N -0.085 120.269 120.570 -0.360 0.000 2.353 812 I HA -0.115 4.014 4.170 -0.068 0.000 0.248 812 I C 2.322 178.406 176.117 -0.055 0.000 1.119 812 I CA 0.934 62.015 61.300 -0.364 0.000 1.417 812 I CB -1.512 36.178 38.000 -0.516 0.000 1.078 812 I HN 0.330 nan 8.210 nan 0.000 0.421 813 E N 0.825 121.023 120.200 -0.003 0.000 2.049 813 E HA -0.247 4.062 4.350 -0.068 0.000 0.198 813 E C 2.234 178.913 176.600 0.132 0.000 1.007 813 E CA 1.234 57.731 56.400 0.162 0.000 0.809 813 E CB -0.407 29.373 29.700 0.133 0.000 0.749 813 E HN 0.291 nan 8.360 nan 0.000 0.450 814 L N 0.803 122.043 121.223 0.030 0.000 2.046 814 L HA -0.104 4.195 4.340 -0.068 0.000 0.208 814 L C 2.251 179.131 176.870 0.016 0.000 1.077 814 L CA 2.113 56.964 54.840 0.017 0.000 0.747 814 L CB -0.779 41.264 42.059 -0.028 0.000 0.896 814 L HN 0.050 nan 8.230 nan 0.000 0.432 815 A N -1.408 121.399 122.820 -0.021 0.000 1.908 815 A HA -0.314 3.965 4.320 -0.068 0.000 0.218 815 A C 2.311 179.940 177.584 0.076 0.000 1.181 815 A CA 2.015 54.038 52.037 -0.023 0.000 0.627 815 A CB -1.205 17.749 19.000 -0.077 0.000 0.818 815 A HN 0.645 nan 8.150 nan 0.000 0.445 816 Y N 0.390 120.711 120.300 0.035 0.000 2.163 816 Y HA -0.170 4.340 4.550 -0.068 0.000 0.288 816 Y C 2.381 178.311 175.900 0.050 0.000 1.136 816 Y CA 2.288 60.434 58.100 0.076 0.000 1.147 816 Y CB -0.264 38.253 38.460 0.095 0.000 0.987 816 Y HN 0.305 nan 8.280 nan 0.000 0.509 817 K N 0.049 120.513 120.400 0.106 0.000 2.032 817 K HA -0.223 4.056 4.320 -0.068 0.000 0.209 817 K C 1.979 178.542 176.600 -0.061 0.000 1.048 817 K CA 1.959 58.254 56.287 0.012 0.000 0.927 817 K CB -0.127 32.417 32.500 0.073 0.000 0.712 817 K HN 0.316 nan 8.250 nan 0.000 0.441 818 E N 0.117 120.301 120.200 -0.026 0.000 2.072 818 E HA -0.164 4.145 4.350 -0.068 0.000 0.191 818 E C 1.994 178.575 176.600 -0.032 0.000 0.985 818 E CA 1.188 57.577 56.400 -0.018 0.000 0.801 818 E CB -0.240 29.460 29.700 0.001 0.000 0.750 818 E HN 0.445 nan 8.360 nan 0.000 0.452 819 A N 1.646 124.437 122.820 -0.049 0.000 1.902 819 A HA -0.209 4.070 4.320 -0.068 0.000 0.217 819 A C 2.160 179.668 177.584 -0.127 0.000 1.181 819 A CA 1.950 53.972 52.037 -0.024 0.000 0.623 819 A CB -0.411 18.618 19.000 0.048 0.000 0.818 819 A HN 0.174 nan 8.150 nan 0.000 0.443 820 K N -0.207 120.026 120.400 -0.279 0.000 2.148 820 K HA -0.011 4.268 4.320 -0.068 0.000 0.204 820 K C 1.994 178.479 176.600 -0.192 0.000 1.050 820 K CA 1.213 57.303 56.287 -0.329 0.000 0.942 820 K CB -0.321 31.841 32.500 -0.564 0.000 0.724 820 K HN 0.339 nan 8.250 nan 0.000 0.446 821 A N 0.964 123.706 122.820 -0.129 0.000 1.933 821 A HA -0.092 4.187 4.320 -0.068 0.000 0.218 821 A C 2.023 179.576 177.584 -0.053 0.000 1.175 821 A CA 1.370 53.365 52.037 -0.070 0.000 0.628 821 A CB -0.463 18.517 19.000 -0.034 0.000 0.814 821 A HN 0.346 nan 8.150 nan 0.000 0.444 822 I N -0.785 119.758 120.570 -0.045 0.000 2.233 822 I HA -0.093 4.036 4.170 -0.068 0.000 0.243 822 I C 0.785 176.817 176.117 -0.142 0.000 1.093 822 I CA 0.886 62.184 61.300 -0.003 0.000 1.380 822 I CB -0.104 37.952 38.000 0.093 0.000 1.067 822 I HN 0.302 nan 8.210 nan 0.000 0.413 823 N N 0.737 119.238 118.700 -0.331 0.000 2.626 823 N HA 0.208 4.907 4.740 -0.068 0.000 0.249 823 N C -2.117 173.179 175.510 -0.357 0.000 1.021 823 N CA -2.345 50.305 53.050 -0.666 0.000 0.886 823 N CB 1.376 39.164 38.487 -1.165 0.000 1.149 823 N HN -0.205 nan 8.380 nan 0.000 0.517 824 P HA -0.063 nan 4.420 nan 0.000 0.218 824 P C -0.007 177.235 177.300 -0.097 0.000 1.146 824 P CA 1.361 64.377 63.100 -0.139 0.000 0.813 824 P CB 0.189 31.836 31.700 -0.088 0.000 0.778 825 N N -1.734 116.913 118.700 -0.089 0.000 2.322 825 N HA 0.077 4.776 4.740 -0.068 0.000 0.194 825 N C 0.467 176.038 175.510 0.103 0.000 1.126 825 N CA -0.423 52.664 53.050 0.061 0.000 0.845 825 N CB -0.371 38.207 38.487 0.153 0.000 0.976 825 N HN 0.078 nan 8.380 nan 0.000 0.475 826 M N 2.466 122.044 119.600 -0.036 0.000 2.248 826 M HA 0.060 4.499 4.480 -0.068 0.000 0.343 826 M C -0.429 175.946 176.300 0.125 0.000 1.243 826 M CA 0.297 55.599 55.300 0.002 0.000 1.025 826 M CB -0.005 32.535 32.600 -0.100 0.000 1.759 826 M HN 0.156 nan 8.290 nan 0.000 0.452 827 I N 3.009 123.677 120.570 0.164 0.000 2.689 827 I HA 0.676 4.805 4.170 -0.068 0.000 0.299 827 I C -1.324 174.917 176.117 0.207 0.000 1.059 827 I CA -0.969 60.449 61.300 0.196 0.000 1.055 827 I CB 2.261 40.337 38.000 0.126 0.000 1.243 827 I HN 0.728 nan 8.210 nan 0.000 0.425 828 M N 6.420 126.168 119.600 0.246 0.000 2.457 828 M HA 0.660 5.100 4.480 -0.068 0.000 0.300 828 M C -0.836 175.541 176.300 0.128 0.000 1.141 828 M CA -0.672 54.786 55.300 0.263 0.000 0.901 828 M CB 2.987 35.868 32.600 0.468 0.000 1.687 828 M HN 0.743 nan 8.290 nan 0.000 0.449 829 I N -1.398 119.243 120.570 0.119 0.000 3.174 829 I HA 1.116 5.246 4.170 -0.068 0.000 0.313 829 I C -0.663 175.533 176.117 0.132 0.000 1.155 829 I CA -0.777 60.520 61.300 -0.005 0.000 0.977 829 I CB 2.675 40.551 38.000 -0.207 0.000 1.248 829 I HN 0.711 nan 8.210 nan 0.000 0.453 830 G N 1.186 110.007 108.800 0.035 0.000 2.547 830 G HA2 0.316 4.235 3.960 -0.068 0.000 0.291 830 G HA3 0.316 4.235 3.960 -0.068 0.000 0.291 830 G C -1.916 172.989 174.900 0.008 0.000 1.471 830 G CA -0.818 44.374 45.100 0.153 0.000 0.798 830 G HN 0.732 nan 8.290 nan 0.000 0.504 831 E N 0.296 120.427 120.200 -0.115 0.000 2.159 831 E HA 0.349 4.658 4.350 -0.068 0.000 0.272 831 E C 0.899 177.093 176.600 -0.676 0.000 1.138 831 E CA 0.115 56.101 56.400 -0.690 0.000 0.915 831 E CB 0.950 30.175 29.700 -0.792 0.000 1.028 831 E HN 0.554 nan 8.360 nan 0.000 0.423 832 G N 4.178 112.555 108.800 -0.705 0.000 3.639 832 G HA2 0.027 3.946 3.960 -0.068 0.000 0.279 832 G HA3 0.027 3.946 3.960 -0.068 0.000 0.279 832 G C -0.358 174.438 174.900 -0.174 0.000 1.312 832 G CA -0.618 44.269 45.100 -0.355 0.000 1.355 832 G HN 0.473 nan 8.290 nan 0.000 0.595 833 W N 0.001 121.313 121.300 0.020 0.000 2.158 833 W HA 0.324 4.955 4.660 -0.048 0.000 0.339 833 W C 0.759 177.292 176.519 0.023 0.000 1.294 833 W CA -1.320 56.035 57.345 0.017 0.000 1.231 833 W CB 0.952 30.411 29.460 -0.002 0.000 1.143 833 W HN -0.015 nan 8.180 nan 0.000 0.571 834 R N 1.878 122.548 120.500 0.283 0.000 2.878 834 R HA 0.043 4.342 4.340 -0.068 0.000 0.239 834 R C 0.889 177.279 176.300 0.150 0.000 1.515 834 R CA 0.301 56.502 56.100 0.170 0.000 1.210 834 R CB -0.305 30.076 30.300 0.135 0.000 1.209 834 R HN 0.561 nan 8.270 nan 0.000 0.610 835 T N -2.017 112.628 114.554 0.152 0.000 3.043 835 T HA 0.093 4.402 4.350 -0.068 0.000 0.272 835 T C 0.301 175.039 174.700 0.062 0.000 0.990 835 T CA -0.488 61.674 62.100 0.102 0.000 0.897 835 T CB 0.004 68.944 68.868 0.120 0.000 1.111 835 T HN 0.244 nan 8.240 nan 0.000 0.529 836 F N 3.154 123.071 119.950 -0.056 0.000 2.608 836 F HA 0.237 4.722 4.527 -0.070 0.000 0.380 836 F C 1.271 176.976 175.800 -0.159 0.000 1.083 836 F CA 0.264 58.188 58.000 -0.125 0.000 1.266 836 F CB 0.833 39.750 39.000 -0.139 0.000 1.076 836 F HN -0.031 nan 8.300 nan 0.000 0.574 837 Q N 4.311 123.501 119.800 -1.018 0.000 2.644 837 Q HA 0.288 4.587 4.340 -0.068 0.000 0.220 837 Q C 1.366 176.596 176.000 -1.283 0.000 0.866 837 Q CA 0.791 56.103 55.803 -0.819 0.000 0.915 837 Q CB -0.517 27.918 28.738 -0.505 0.000 1.191 837 Q HN 0.999 nan 8.270 nan 0.000 0.641 838 G N 2.347 109.901 108.800 -2.076 0.000 2.601 838 G HA2 -0.212 3.707 3.960 -0.068 0.000 0.252 838 G HA3 -0.212 3.707 3.960 -0.068 0.000 0.252 838 G C -0.751 173.522 174.900 -1.046 0.000 1.294 838 G CA -0.024 43.716 45.100 -2.267 0.000 0.912 838 G HN 0.238 nan 8.290 nan 0.000 0.574 839 D N 1.142 121.298 120.400 -0.408 0.000 2.304 839 D HA 0.325 4.924 4.640 -0.068 0.000 0.250 839 D C 0.927 177.239 176.300 0.021 0.000 1.107 839 D CA 0.032 54.056 54.000 0.041 0.000 0.885 839 D CB 1.155 42.155 40.800 0.333 0.000 1.192 839 D HN 0.598 nan 8.370 nan 0.000 0.436 840 Q N 0.578 120.403 119.800 0.042 0.000 2.263 840 Q HA 0.172 4.472 4.340 -0.068 0.000 0.289 840 Q C 0.868 176.906 176.000 0.062 0.000 1.061 840 Q CA 0.573 56.393 55.803 0.029 0.000 0.927 840 Q CB 0.200 28.959 28.738 0.035 0.000 1.154 840 Q HN 0.792 nan 8.270 nan 0.000 0.378 841 G N 3.964 112.792 108.800 0.047 0.000 2.155 841 G HA2 -0.295 3.624 3.960 -0.068 0.000 0.257 841 G HA3 -0.295 3.624 3.960 -0.068 0.000 0.257 841 G C -0.240 174.707 174.900 0.077 0.000 0.983 841 G CA 0.474 45.607 45.100 0.055 0.000 0.676 841 G HN 0.606 nan 8.290 nan 0.000 0.528 842 K N 0.973 121.435 120.400 0.104 0.000 2.679 842 K HA 0.352 4.631 4.320 -0.068 0.000 0.188 842 K C -2.642 174.041 176.600 0.138 0.000 1.055 842 K CA -1.598 54.773 56.287 0.140 0.000 1.006 842 K CB 1.780 34.419 32.500 0.231 0.000 1.317 842 K HN 0.119 nan 8.250 nan 0.000 0.584 843 P HA 0.108 nan 4.420 nan 0.000 0.268 843 P C -0.646 176.656 177.300 0.004 0.000 1.205 843 P CA -0.373 62.765 63.100 0.063 0.000 0.771 843 P CB 0.948 32.661 31.700 0.022 0.000 0.858 844 V N 2.073 121.903 119.914 -0.140 0.000 3.049 844 V HA 0.293 4.372 4.120 -0.068 0.000 0.309 844 V C -0.022 175.776 176.094 -0.494 0.000 1.148 844 V CA -1.042 61.108 62.300 -0.250 0.000 0.990 844 V CB 2.433 34.160 31.823 -0.160 0.000 1.039 844 V HN 0.444 nan 8.190 nan 0.000 0.430 845 K N 4.878 125.060 120.400 -0.364 0.000 2.402 845 K HA 0.254 4.533 4.320 -0.068 0.000 0.285 845 K C -2.358 173.908 176.600 -0.557 0.000 1.054 845 K CA -1.018 55.038 56.287 -0.385 0.000 1.001 845 K CB 0.791 33.137 32.500 -0.257 0.000 0.946 845 K HN 0.376 nan 8.250 nan 0.000 0.473 846 P HA 0.116 nan 4.420 nan 0.000 0.279 846 P C -1.175 175.842 177.300 -0.472 0.000 1.252 846 P CA -0.552 62.203 63.100 -0.575 0.000 0.811 846 P CB 1.297 32.712 31.700 -0.475 0.000 1.035 847 A N 1.444 123.997 122.820 -0.446 0.000 3.126 847 A HA 0.352 4.631 4.320 -0.068 0.000 0.268 847 A C 0.169 177.737 177.584 -0.027 0.000 1.605 847 A CA -0.174 51.562 52.037 -0.501 0.000 1.305 847 A CB -1.433 17.179 19.000 -0.647 0.000 1.160 847 A HN 0.599 nan 8.150 nan 0.000 0.609 848 D N -1.357 119.068 120.400 0.041 0.000 2.723 848 D HA 0.161 4.760 4.640 -0.068 0.000 0.247 848 D C 0.853 177.134 176.300 -0.033 0.000 1.134 848 D CA -0.413 53.594 54.000 0.011 0.000 1.099 848 D CB 0.052 40.858 40.800 0.010 0.000 1.287 848 D HN 0.083 nan 8.370 nan 0.000 0.634 849 Q N -0.929 118.770 119.800 -0.168 0.000 2.224 849 Q HA -0.073 4.226 4.340 -0.068 0.000 0.203 849 Q C 0.602 176.440 176.000 -0.270 0.000 0.970 849 Q CA 1.276 56.783 55.803 -0.493 0.000 0.865 849 Q CB -0.010 28.397 28.738 -0.552 0.000 0.922 849 Q HN 0.437 nan 8.270 nan 0.000 0.445 850 D N -0.746 119.637 120.400 -0.028 0.000 2.347 850 D HA -0.120 4.479 4.640 -0.068 0.000 0.215 850 D C 1.160 177.525 176.300 0.109 0.000 0.976 850 D CA 0.380 54.419 54.000 0.064 0.000 0.884 850 D CB -0.140 40.698 40.800 0.064 0.000 0.915 850 D HN 0.370 nan 8.370 nan 0.000 0.526 851 W N 1.364 122.591 121.300 -0.122 0.000 2.519 851 W HA -0.026 4.592 4.660 -0.071 0.000 0.266 851 W C 1.650 178.106 176.519 -0.105 0.000 1.253 851 W CA 0.488 57.761 57.345 -0.120 0.000 1.274 851 W CB -0.170 29.199 29.460 -0.151 0.000 1.114 851 W HN -0.171 nan 8.180 nan 0.000 0.596 852 M N 1.270 120.784 119.600 -0.145 0.000 2.279 852 M HA -0.160 4.279 4.480 -0.068 0.000 0.264 852 M C 1.941 178.158 176.300 -0.139 0.000 1.062 852 M CA 1.840 56.995 55.300 -0.242 0.000 1.099 852 M CB -1.538 31.004 32.600 -0.097 0.000 1.394 852 M HN 0.236 nan 8.290 nan 0.000 0.426 853 K N 0.028 120.410 120.400 -0.030 0.000 2.504 853 K HA 0.005 4.284 4.320 -0.068 0.000 0.195 853 K C 1.033 177.608 176.600 -0.041 0.000 1.036 853 K CA 1.398 57.676 56.287 -0.016 0.000 0.984 853 K CB -0.179 32.339 32.500 0.030 0.000 0.788 853 K HN 0.302 nan 8.250 nan 0.000 0.488 854 S N -0.779 114.882 115.700 -0.065 0.000 2.846 854 S HA 0.126 4.556 4.470 -0.068 0.000 0.249 854 S C -0.137 174.399 174.600 -0.106 0.000 1.028 854 S CA -0.534 57.648 58.200 -0.030 0.000 1.043 854 S CB 0.758 64.002 63.200 0.074 0.000 0.990 854 S HN 0.218 nan 8.310 nan 0.000 0.564 855 T N 0.810 115.185 114.554 -0.298 0.000 2.942 855 T HA 0.457 4.766 4.350 -0.068 0.000 0.327 855 T C -2.361 172.088 174.700 -0.418 0.000 1.360 855 T CA -0.432 61.421 62.100 -0.411 0.000 1.055 855 T CB 1.693 70.075 68.868 -0.811 0.000 1.261 855 T HN -0.025 nan 8.240 nan 0.000 0.485 856 D N 2.574 122.773 120.400 -0.335 0.000 2.943 856 D HA 0.283 4.882 4.640 -0.068 0.000 0.347 856 D C 1.170 177.248 176.300 -0.370 0.000 1.305 856 D CA -0.052 53.767 54.000 -0.301 0.000 0.870 856 D CB 0.999 41.692 40.800 -0.178 0.000 1.081 856 D HN 0.676 nan 8.370 nan 0.000 0.492 857 T N -3.854 110.344 114.554 -0.593 0.000 3.397 857 T HA 0.204 4.513 4.350 -0.068 0.000 0.233 857 T C 0.731 174.962 174.700 -0.782 0.000 0.969 857 T CA 0.092 61.615 62.100 -0.961 0.000 1.316 857 T CB 0.204 68.354 68.868 -1.196 0.000 1.175 857 T HN -0.097 nan 8.240 nan 0.000 0.381 858 V N 2.333 121.845 119.914 -0.670 0.000 2.427 858 V HA 0.728 4.807 4.120 -0.068 0.000 0.286 858 V C 0.853 176.739 176.094 -0.346 0.000 1.034 858 V CA -0.677 61.412 62.300 -0.351 0.000 0.893 858 V CB 1.013 32.756 31.823 -0.134 0.000 0.982 858 V HN 0.782 nan 8.190 nan 0.000 0.452 859 G N 2.750 111.414 108.800 -0.226 0.000 2.425 859 G HA2 0.625 4.544 3.960 -0.068 0.000 0.302 859 G HA3 0.625 4.544 3.960 -0.068 0.000 0.302 859 G C -0.523 174.218 174.900 -0.265 0.000 1.159 859 G CA -0.353 44.606 45.100 -0.235 0.000 0.865 859 G HN 0.993 nan 8.290 nan 0.000 0.515 860 V N -0.930 118.814 119.914 -0.282 0.000 2.864 860 V HA 0.716 4.796 4.120 -0.068 0.000 0.314 860 V C -0.368 175.532 176.094 -0.324 0.000 1.073 860 V CA -1.561 60.539 62.300 -0.332 0.000 0.956 860 V CB 1.404 32.994 31.823 -0.389 0.000 1.023 860 V HN 0.496 nan 8.190 nan 0.000 0.435 861 F N 1.984 121.704 119.950 -0.385 0.000 2.572 861 F HA 0.299 4.791 4.527 -0.058 0.000 0.370 861 F C 1.352 177.186 175.800 0.057 0.000 1.103 861 F CA 0.849 58.633 58.000 -0.359 0.000 1.286 861 F CB 1.006 39.579 39.000 -0.713 0.000 1.105 861 F HN 0.696 nan 8.300 nan 0.000 0.583 862 S N 3.193 119.149 115.700 0.426 0.000 2.642 862 S HA 0.081 4.511 4.470 -0.068 0.000 0.309 862 S C 0.942 175.909 174.600 0.612 0.000 1.125 862 S CA -0.974 57.534 58.200 0.514 0.000 1.055 862 S CB -0.279 63.115 63.200 0.323 0.000 1.157 862 S HN 0.619 nan 8.310 nan 0.000 0.513 863 D N 3.290 124.081 120.400 0.652 0.000 2.264 863 D HA -0.156 4.444 4.640 -0.068 0.000 0.208 863 D C 1.118 177.548 176.300 0.216 0.000 0.966 863 D CA 0.741 55.005 54.000 0.440 0.000 0.864 863 D CB -0.202 40.784 40.800 0.310 0.000 0.933 863 D HN 0.552 nan 8.370 nan 0.000 0.499 864 D N 0.599 121.127 120.400 0.212 0.000 2.097 864 D HA -0.098 4.501 4.640 -0.068 0.000 0.197 864 D C 2.045 178.375 176.300 0.049 0.000 0.984 864 D CA 0.650 54.710 54.000 0.099 0.000 0.826 864 D CB -0.257 40.580 40.800 0.060 0.000 0.973 864 D HN 0.278 nan 8.370 nan 0.000 0.460 865 I N -0.129 120.479 120.570 0.063 0.000 2.315 865 I HA -0.192 3.937 4.170 -0.068 0.000 0.248 865 I C 2.426 178.542 176.117 -0.000 0.000 1.117 865 I CA 0.709 62.020 61.300 0.020 0.000 1.404 865 I CB -0.123 37.897 38.000 0.033 0.000 1.071 865 I HN -0.024 nan 8.210 nan 0.000 0.419 866 R N 0.895 121.386 120.500 -0.015 0.000 2.082 866 R HA -0.242 4.057 4.340 -0.068 0.000 0.234 866 R C 2.039 178.292 176.300 -0.079 0.000 1.136 866 R CA 2.402 58.417 56.100 -0.142 0.000 0.935 866 R CB -0.387 29.715 30.300 -0.330 0.000 0.842 866 R HN 0.380 nan 8.270 nan 0.000 0.430 867 N N 0.335 119.011 118.700 -0.040 0.000 2.069 867 N HA -0.125 4.574 4.740 -0.068 0.000 0.191 867 N C 1.874 177.377 175.510 -0.012 0.000 1.031 867 N CA 1.937 54.969 53.050 -0.030 0.000 0.852 867 N CB -0.532 37.946 38.487 -0.016 0.000 1.018 867 N HN 0.179 nan 8.380 nan 0.000 0.423 868 S N 0.703 116.402 115.700 -0.002 0.000 2.382 868 S HA 0.021 4.451 4.470 -0.068 0.000 0.228 868 S C 2.028 176.660 174.600 0.052 0.000 1.027 868 S CA 0.692 58.900 58.200 0.014 0.000 0.991 868 S CB -0.139 63.053 63.200 -0.014 0.000 0.823 868 S HN 0.255 nan 8.310 nan 0.000 0.469 869 L N 0.365 121.608 121.223 0.035 0.000 2.127 869 L HA 0.032 4.331 4.340 -0.068 0.000 0.203 869 L C 1.242 178.162 176.870 0.082 0.000 1.080 869 L CA 1.016 55.911 54.840 0.091 0.000 0.768 869 L CB -0.163 41.926 42.059 0.050 0.000 0.924 869 L HN 0.347 nan 8.230 nan 0.000 0.444 870 K N -1.445 118.965 120.400 0.016 0.000 2.684 870 K HA 0.243 4.522 4.320 -0.068 0.000 0.189 870 K C 0.019 176.593 176.600 -0.043 0.000 1.154 870 K CA 0.023 56.302 56.287 -0.013 0.000 1.109 870 K CB -0.074 32.411 32.500 -0.025 0.000 0.826 870 K HN 0.157 nan 8.250 nan 0.000 0.501 871 S N -2.089 113.587 115.700 -0.040 0.000 3.663 871 S HA 0.227 4.656 4.470 -0.068 0.000 0.779 871 S C 0.249 174.807 174.600 -0.070 0.000 1.254 871 S CA -0.074 58.093 58.200 -0.056 0.000 1.164 871 S CB -1.461 61.702 63.200 -0.061 0.000 0.532 871 S HN 1.615 nan 8.310 nan 0.000 0.505 872 G N 0.688 109.447 108.800 -0.067 0.000 2.341 872 G HA2 0.546 4.465 3.960 -0.068 0.000 0.299 872 G HA3 0.546 4.465 3.960 -0.068 0.000 0.299 872 G C -0.843 174.038 174.900 -0.032 0.000 1.274 872 G CA -0.413 44.656 45.100 -0.052 0.000 0.853 872 G HN 1.824 nan 8.290 nan 0.000 0.493 873 F N 2.586 122.444 119.950 -0.153 0.000 2.607 873 F HA 0.411 4.869 4.527 -0.115 0.000 0.374 873 F C -0.618 175.100 175.800 -0.137 0.000 1.104 873 F CA -0.926 56.980 58.000 -0.157 0.000 1.296 873 F CB 1.325 40.199 39.000 -0.211 0.000 1.085 873 F HN 0.185 nan 8.300 nan 0.000 0.584 874 P HA 0.081 nan 4.420 nan 0.000 0.257 874 P C -1.095 175.903 177.300 -0.503 0.000 1.281 874 P CA 0.497 62.843 63.100 -1.258 0.000 0.826 874 P CB -0.011 30.966 31.700 -1.204 0.000 1.237 875 N N 0.456 118.981 118.700 -0.292 0.000 2.696 875 N HA 0.103 4.802 4.740 -0.068 0.000 0.308 875 N C -0.423 175.013 175.510 -0.123 0.000 1.915 875 N CA -0.364 52.578 53.050 -0.180 0.000 0.906 875 N CB 0.730 39.126 38.487 -0.152 0.000 1.284 875 N HN 0.095 nan 8.380 nan 0.000 0.488 876 E N 0.239 120.374 120.200 -0.108 0.000 2.415 876 E HA 0.155 4.464 4.350 -0.068 0.000 0.263 876 E C 1.012 177.560 176.600 -0.088 0.000 0.995 876 E CA 0.744 57.093 56.400 -0.086 0.000 0.915 876 E CB 0.331 29.986 29.700 -0.076 0.000 0.951 876 E HN 0.582 nan 8.360 nan 0.000 0.449 877 G N 3.261 112.012 108.800 -0.083 0.000 2.194 877 G HA2 -0.231 3.688 3.960 -0.068 0.000 0.236 877 G HA3 -0.231 3.688 3.960 -0.068 0.000 0.236 877 G C 0.257 175.111 174.900 -0.076 0.000 0.987 877 G CA 0.161 45.210 45.100 -0.084 0.000 0.635 877 G HN 0.599 nan 8.290 nan 0.000 0.520 878 T N 3.523 118.034 114.554 -0.072 0.000 2.851 878 T HA 0.485 4.794 4.350 -0.068 0.000 0.298 878 T C -2.107 172.561 174.700 -0.053 0.000 0.977 878 T CA -0.523 61.540 62.100 -0.062 0.000 1.126 878 T CB 1.529 70.359 68.868 -0.063 0.000 0.916 878 T HN 0.096 nan 8.240 nan 0.000 0.529 879 P HA 0.298 nan 4.420 nan 0.000 0.262 879 P C -0.675 176.611 177.300 -0.024 0.000 1.182 879 P CA 0.085 63.159 63.100 -0.043 0.000 0.761 879 P CB 0.442 32.115 31.700 -0.045 0.000 0.795 880 A N 2.681 125.496 122.820 -0.009 0.000 2.973 880 A HA 0.481 4.760 4.320 -0.068 0.000 0.267 880 A C 0.690 178.317 177.584 0.071 0.000 1.210 880 A CA -0.460 51.600 52.037 0.038 0.000 0.749 880 A CB -0.438 18.587 19.000 0.042 0.000 1.373 880 A HN 0.379 nan 8.150 nan 0.000 0.585 881 F N 0.714 120.656 119.950 -0.012 0.000 2.065 881 F HA -0.159 4.321 4.527 -0.078 0.000 0.298 881 F C 1.835 177.636 175.800 0.002 0.000 1.112 881 F CA 2.588 60.589 58.000 0.002 0.000 1.212 881 F CB 0.009 39.018 39.000 0.016 0.000 0.975 881 F HN 0.433 nan 8.300 nan 0.000 0.476 882 I N -1.765 118.868 120.570 0.106 0.000 3.793 882 I HA 0.160 4.289 4.170 -0.068 0.000 0.315 882 I C 0.548 176.637 176.117 -0.047 0.000 1.275 882 I CA 1.019 62.325 61.300 0.010 0.000 1.214 882 I CB -0.699 37.357 38.000 0.094 0.000 1.018 882 I HN 0.221 nan 8.210 nan 0.000 0.439 883 T N -2.880 111.641 114.554 -0.054 0.000 3.380 883 T HA 0.536 4.845 4.350 -0.068 0.000 0.289 883 T C 1.108 175.763 174.700 -0.075 0.000 1.012 883 T CA 0.089 62.149 62.100 -0.067 0.000 0.944 883 T CB 0.300 69.131 68.868 -0.061 0.000 1.172 883 T HN 0.575 nan 8.240 nan 0.000 0.502 884 G N 0.218 108.958 108.800 -0.099 0.000 2.141 884 G HA2 -0.035 3.884 3.960 -0.068 0.000 0.242 884 G HA3 -0.035 3.884 3.960 -0.068 0.000 0.242 884 G C 0.322 175.176 174.900 -0.077 0.000 0.982 884 G CA -0.398 44.645 45.100 -0.095 0.000 0.662 884 G HN 1.177 nan 8.290 nan 0.000 0.527 885 G N 0.414 109.176 108.800 -0.064 0.000 2.415 885 G HA2 0.671 4.590 3.960 -0.068 0.000 0.317 885 G HA3 0.671 4.590 3.960 -0.068 0.000 0.317 885 G C -2.350 172.542 174.900 -0.014 0.000 1.152 885 G CA -1.287 43.793 45.100 -0.033 0.000 0.956 885 G HN 0.127 nan 8.290 nan 0.000 0.458 886 P HA 0.060 nan 4.420 nan 0.000 0.264 886 P C -0.404 176.943 177.300 0.078 0.000 1.193 886 P CA 0.270 63.383 63.100 0.020 0.000 0.763 886 P CB 0.821 32.525 31.700 0.008 0.000 0.810 887 Q N 0.935 120.835 119.800 0.166 0.000 2.387 887 Q HA 0.306 4.605 4.340 -0.068 0.000 0.273 887 Q C -0.125 175.955 176.000 0.133 0.000 1.089 887 Q CA -0.780 55.117 55.803 0.158 0.000 0.824 887 Q CB 1.852 30.721 28.738 0.217 0.000 1.367 887 Q HN 0.297 nan 8.270 nan 0.000 0.443 888 S N 1.462 117.208 115.700 0.077 0.000 2.546 888 S HA 0.064 4.493 4.470 -0.068 0.000 0.290 888 S C 1.318 175.953 174.600 0.060 0.000 1.262 888 S CA -0.173 58.062 58.200 0.059 0.000 1.083 888 S CB -0.010 63.211 63.200 0.035 0.000 0.859 888 S HN 0.544 nan 8.310 nan 0.000 0.495 889 L N 3.939 125.203 121.223 0.070 0.000 2.217 889 L HA -0.056 4.243 4.340 -0.068 0.000 0.211 889 L C 2.666 179.574 176.870 0.064 0.000 1.107 889 L CA 0.699 55.577 54.840 0.063 0.000 0.783 889 L CB -0.461 41.641 42.059 0.071 0.000 0.919 889 L HN 0.618 nan 8.230 nan 0.000 0.442 890 Q N 0.745 120.584 119.800 0.064 0.000 2.079 890 Q HA -0.115 4.184 4.340 -0.068 0.000 0.200 890 Q C 2.176 178.226 176.000 0.083 0.000 0.974 890 Q CA 1.968 57.832 55.803 0.102 0.000 0.840 890 Q CB -0.534 28.246 28.738 0.069 0.000 0.898 890 Q HN 0.385 nan 8.270 nan 0.000 0.430 891 G N 0.657 109.473 108.800 0.027 0.000 2.418 891 G HA2 -0.199 3.720 3.960 -0.068 0.000 0.217 891 G HA3 -0.199 3.720 3.960 -0.068 0.000 0.217 891 G C 1.321 176.189 174.900 -0.053 0.000 1.158 891 G CA 0.902 45.993 45.100 -0.016 0.000 0.771 891 G HN 0.347 nan 8.290 nan 0.000 0.545 892 I N 0.263 120.796 120.570 -0.061 0.000 2.179 892 I HA -0.107 4.022 4.170 -0.068 0.000 0.242 892 I C 2.453 178.495 176.117 -0.126 0.000 1.088 892 I CA 0.953 62.164 61.300 -0.150 0.000 1.357 892 I CB -1.178 36.653 38.000 -0.282 0.000 1.051 892 I HN 0.179 nan 8.210 nan 0.000 0.409 893 F N 2.277 122.109 119.950 -0.197 0.000 2.102 893 F HA -0.219 4.267 4.527 -0.069 0.000 0.298 893 F C 2.488 178.169 175.800 -0.198 0.000 1.105 893 F CA 1.767 59.638 58.000 -0.214 0.000 1.239 893 F CB -0.412 38.510 39.000 -0.129 0.000 0.991 893 F HN -0.043 nan 8.300 nan 0.000 0.474 894 K N 0.138 120.377 120.400 -0.269 0.000 2.097 894 K HA -0.193 4.086 4.320 -0.068 0.000 0.206 894 K C 1.853 178.263 176.600 -0.316 0.000 1.049 894 K CA 1.834 57.916 56.287 -0.341 0.000 0.933 894 K CB -0.426 31.973 32.500 -0.170 0.000 0.717 894 K HN 0.371 nan 8.250 nan 0.000 0.442 895 N N 0.722 119.277 118.700 -0.241 0.000 2.084 895 N HA -0.124 4.575 4.740 -0.068 0.000 0.190 895 N C 1.719 177.085 175.510 -0.239 0.000 1.030 895 N CA 1.087 54.014 53.050 -0.206 0.000 0.849 895 N CB -0.098 38.300 38.487 -0.148 0.000 1.012 895 N HN 0.067 nan 8.380 nan 0.000 0.423 896 I N 1.060 121.438 120.570 -0.321 0.000 2.315 896 I HA -0.270 3.860 4.170 -0.068 0.000 0.251 896 I C 1.514 177.410 176.117 -0.367 0.000 1.125 896 I CA 1.242 62.312 61.300 -0.382 0.000 1.392 896 I CB -0.135 37.480 38.000 -0.643 0.000 1.065 896 I HN 0.124 nan 8.210 nan 0.000 0.424 897 K N 0.988 121.114 120.400 -0.457 0.000 2.487 897 K HA 0.254 4.533 4.320 -0.068 0.000 0.192 897 K C 0.801 177.257 176.600 -0.241 0.000 1.027 897 K CA 0.593 56.656 56.287 -0.374 0.000 1.054 897 K CB 0.205 32.404 32.500 -0.502 0.000 0.824 897 K HN 0.317 nan 8.250 nan 0.000 0.510 898 A N 1.758 124.452 122.820 -0.209 0.000 2.914 898 A HA -0.213 4.066 4.320 -0.068 0.000 0.280 898 A C -0.151 177.314 177.584 -0.198 0.000 1.447 898 A CA 0.756 52.697 52.037 -0.160 0.000 0.759 898 A CB -1.967 16.967 19.000 -0.109 0.000 1.034 898 A HN 0.509 nan 8.150 nan 0.000 0.529 899 Q N -0.221 119.436 119.800 -0.238 0.000 2.965 899 Q HA 0.298 4.597 4.340 -0.068 0.000 0.288 899 Q C -2.596 173.236 176.000 -0.280 0.000 0.974 899 Q CA -1.771 53.878 55.803 -0.256 0.000 0.849 899 Q CB 1.771 30.378 28.738 -0.219 0.000 1.280 899 Q HN 0.583 nan 8.270 nan 0.000 0.441 900 P HA -0.047 nan 4.420 nan 0.000 0.268 900 P C 0.615 177.741 177.300 -0.290 0.000 1.208 900 P CA 0.301 63.198 63.100 -0.338 0.000 0.777 900 P CB 1.026 32.431 31.700 -0.491 0.000 0.875 901 G N 1.871 110.576 108.800 -0.157 0.000 2.712 901 G HA2 -0.144 3.775 3.960 -0.068 0.000 0.212 901 G HA3 -0.144 3.775 3.960 -0.068 0.000 0.212 901 G C 0.965 175.837 174.900 -0.046 0.000 1.142 901 G CA 0.034 45.079 45.100 -0.092 0.000 0.789 901 G HN 0.633 nan 8.290 nan 0.000 0.535 902 N N -0.112 118.575 118.700 -0.022 0.000 2.254 902 N HA 0.169 4.868 4.740 -0.068 0.000 0.190 902 N C 0.084 175.728 175.510 0.224 0.000 1.107 902 N CA -0.431 52.681 53.050 0.102 0.000 0.869 902 N CB 0.003 38.589 38.487 0.165 0.000 0.983 902 N HN 0.404 nan 8.380 nan 0.000 0.487 903 F N -1.638 118.337 119.950 0.042 0.000 2.668 903 F HA 0.617 5.099 4.527 -0.076 0.000 0.309 903 F C -0.880 174.924 175.800 0.007 0.000 1.117 903 F CA -1.568 56.452 58.000 0.033 0.000 0.951 903 F CB 0.975 40.004 39.000 0.049 0.000 1.323 903 F HN -0.259 nan 8.300 nan 0.000 0.451 904 E N 2.113 122.424 120.200 0.186 0.000 2.129 904 E HA 0.578 4.887 4.350 -0.068 0.000 0.283 904 E C -0.946 175.731 176.600 0.128 0.000 1.080 904 E CA -0.226 56.205 56.400 0.051 0.000 0.867 904 E CB 0.865 30.601 29.700 0.059 0.000 1.056 904 E HN 0.938 nan 8.360 nan 0.000 0.404 905 A N 5.004 127.786 122.820 -0.062 0.000 2.280 905 A HA 0.223 4.502 4.320 -0.068 0.000 0.320 905 A C 0.324 177.882 177.584 -0.044 0.000 1.366 905 A CA -0.514 51.529 52.037 0.009 0.000 0.938 905 A CB 0.325 19.283 19.000 -0.069 0.000 1.157 905 A HN 0.754 nan 8.150 nan 0.000 0.536 906 D N 1.479 121.861 120.400 -0.030 0.000 2.349 906 D HA 0.020 4.620 4.640 -0.068 0.000 0.224 906 D C 0.332 176.596 176.300 -0.060 0.000 1.029 906 D CA 0.766 54.737 54.000 -0.048 0.000 0.879 906 D CB 0.327 41.102 40.800 -0.042 0.000 0.906 906 D HN 0.312 nan 8.370 nan 0.000 0.528 907 S N 0.066 115.727 115.700 -0.064 0.000 2.536 907 S HA 0.403 4.832 4.470 -0.068 0.000 0.271 907 S C -2.339 172.220 174.600 -0.069 0.000 1.134 907 S CA -1.242 56.915 58.200 -0.071 0.000 0.897 907 S CB 2.314 65.464 63.200 -0.083 0.000 1.094 907 S HN -0.269 nan 8.310 nan 0.000 0.473 908 P HA 0.056 nan 4.420 nan 0.000 0.220 908 P C 1.445 178.710 177.300 -0.058 0.000 1.148 908 P CA 1.322 64.383 63.100 -0.066 0.000 0.803 908 P CB -0.384 31.279 31.700 -0.062 0.000 0.782 909 G N 0.314 109.073 108.800 -0.069 0.000 2.559 909 G HA2 -0.192 3.727 3.960 -0.068 0.000 0.216 909 G HA3 -0.192 3.727 3.960 -0.068 0.000 0.216 909 G C 1.031 175.871 174.900 -0.099 0.000 1.126 909 G CA 0.359 45.411 45.100 -0.080 0.000 0.778 909 G HN 0.171 nan 8.290 nan 0.000 0.543 910 D N -0.182 120.167 120.400 -0.086 0.000 2.310 910 D HA -0.009 4.590 4.640 -0.068 0.000 0.212 910 D C 0.827 177.122 176.300 -0.008 0.000 0.965 910 D CA 0.468 54.423 54.000 -0.076 0.000 0.879 910 D CB 0.337 41.137 40.800 0.000 0.000 0.921 910 D HN 0.148 nan 8.370 nan 0.000 0.510 911 V N 1.421 121.338 119.914 0.005 0.000 2.384 911 V HA 0.221 4.300 4.120 -0.068 0.000 0.287 911 V C 0.122 176.187 176.094 -0.048 0.000 1.020 911 V CA -0.806 61.524 62.300 0.050 0.000 0.850 911 V CB 2.330 34.178 31.823 0.042 0.000 0.987 911 V HN -0.270 nan 8.190 nan 0.000 0.436 912 V N 5.441 125.276 119.914 -0.132 0.000 2.348 912 V HA 0.310 4.390 4.120 -0.068 0.000 0.270 912 V C 0.088 176.158 176.094 -0.040 0.000 1.037 912 V CA -0.644 61.510 62.300 -0.244 0.000 0.872 912 V CB 1.112 32.464 31.823 -0.785 0.000 1.002 912 V HN 0.805 nan 8.190 nan 0.000 0.464 913 Q N 5.287 125.142 119.800 0.091 0.000 2.295 913 Q HA 0.437 4.737 4.340 -0.068 0.000 0.259 913 Q C -0.801 175.442 176.000 0.405 0.000 0.976 913 Q CA -0.168 55.767 55.803 0.219 0.000 0.923 913 Q CB 1.690 30.510 28.738 0.137 0.000 1.185 913 Q HN 0.827 nan 8.270 nan 0.000 0.410 914 Y N -0.201 120.227 120.300 0.213 0.000 2.609 914 Y HA 0.508 5.047 4.550 -0.017 0.000 0.336 914 Y C -0.310 175.716 175.900 0.210 0.000 1.129 914 Y CA -1.541 56.736 58.100 0.295 0.000 1.040 914 Y CB 0.560 39.275 38.460 0.426 0.000 1.310 914 Y HN 0.465 nan 8.280 nan 0.000 0.460 915 I N -0.636 119.935 120.570 0.002 0.000 4.439 915 I HA 0.911 5.041 4.170 -0.068 0.000 0.331 915 I C 0.140 176.148 176.117 -0.182 0.000 1.345 915 I CA 0.026 61.212 61.300 -0.189 0.000 1.193 915 I CB 0.939 38.918 38.000 -0.034 0.000 1.221 915 I HN 0.717 nan 8.210 nan 0.000 0.429 916 A N 1.048 123.870 122.820 0.003 0.000 2.609 916 A HA 0.956 5.235 4.320 -0.068 0.000 0.291 916 A C -1.074 176.664 177.584 0.257 0.000 1.096 916 A CA 0.034 52.098 52.037 0.045 0.000 0.684 916 A CB 1.565 20.603 19.000 0.063 0.000 1.282 916 A HN 0.548 nan 8.150 nan 0.000 0.412 917 A N -0.524 122.250 122.820 -0.076 0.000 2.493 917 A HA 0.662 4.942 4.320 -0.068 0.000 0.300 917 A C 0.677 177.764 177.584 -0.828 0.000 1.152 917 A CA 0.270 52.205 52.037 -0.170 0.000 0.643 917 A CB -0.366 18.636 19.000 0.003 0.000 1.316 917 A HN 1.872 nan 8.150 nan 0.000 0.469 918 H N 0.240 119.029 119.070 -0.469 0.000 2.422 918 H HA -0.087 4.441 4.556 -0.047 0.000 0.298 918 H C -0.236 174.892 175.328 -0.333 0.000 1.098 918 H CA 1.475 57.288 56.048 -0.392 0.000 1.315 918 H CB -0.547 28.932 29.762 -0.472 0.000 1.382 918 H HN 0.663 nan 8.280 nan 0.000 0.523 919 D N 1.241 121.098 120.400 -0.906 0.000 2.313 919 D HA 0.138 4.737 4.640 -0.068 0.000 0.247 919 D C 0.293 176.529 176.300 -0.105 0.000 1.094 919 D CA -0.565 53.212 54.000 -0.371 0.000 0.925 919 D CB 0.618 41.141 40.800 -0.461 0.000 1.188 919 D HN 0.306 nan 8.370 nan 0.000 0.430 920 N N -1.186 117.567 118.700 0.089 0.000 6.841 920 N HA -0.198 4.501 4.740 -0.068 0.000 0.420 920 N C -0.598 174.986 175.510 0.123 0.000 0.944 920 N CA 0.027 53.144 53.050 0.112 0.000 1.444 920 N CB -0.629 37.867 38.487 0.015 0.000 0.807 920 N HN 0.479 nan 8.380 nan 0.000 0.332 921 L N 1.180 122.473 121.223 0.116 0.000 2.483 921 L HA 0.097 4.397 4.340 -0.068 0.000 0.276 921 L C 1.706 178.607 176.870 0.051 0.000 1.213 921 L CA -0.048 54.857 54.840 0.109 0.000 0.843 921 L CB 0.112 42.211 42.059 0.066 0.000 1.107 921 L HN 0.761 nan 8.230 nan 0.000 0.487 922 T N -0.387 114.218 114.554 0.085 0.000 2.795 922 T HA 0.024 4.333 4.350 -0.068 0.000 0.314 922 T C 1.019 175.741 174.700 0.037 0.000 1.069 922 T CA -0.640 61.505 62.100 0.076 0.000 1.071 922 T CB 0.780 69.720 68.868 0.120 0.000 0.988 922 T HN 0.486 nan 8.240 nan 0.000 0.543 923 L N 0.817 122.061 121.223 0.035 0.000 2.042 923 L HA -0.129 4.170 4.340 -0.068 0.000 0.210 923 L C 2.586 179.439 176.870 -0.029 0.000 1.076 923 L CA 2.113 56.952 54.840 -0.002 0.000 0.749 923 L CB -1.356 40.711 42.059 0.014 0.000 0.893 923 L HN 0.982 nan 8.230 nan 0.000 0.432 924 H N -0.649 118.353 119.070 -0.113 0.000 2.293 924 H HA -0.162 4.352 4.556 -0.070 0.000 0.300 924 H C 1.592 176.840 175.328 -0.133 0.000 1.082 924 H CA 2.127 58.084 56.048 -0.153 0.000 1.308 924 H CB 0.059 29.726 29.762 -0.158 0.000 1.375 924 H HN 0.381 nan 8.280 nan 0.000 0.495 925 D N 0.265 120.666 120.400 0.002 0.000 2.144 925 D HA -0.114 4.485 4.640 -0.068 0.000 0.200 925 D C 2.342 178.478 176.300 -0.274 0.000 0.978 925 D CA 0.765 54.670 54.000 -0.158 0.000 0.833 925 D CB -0.407 40.420 40.800 0.046 0.000 0.961 925 D HN 0.237 nan 8.370 nan 0.000 0.470 926 V N 0.605 120.426 119.914 -0.155 0.000 2.548 926 V HA -0.133 3.946 4.120 -0.068 0.000 0.249 926 V C 2.185 178.176 176.094 -0.170 0.000 1.055 926 V CA 0.858 63.072 62.300 -0.143 0.000 1.065 926 V CB -0.192 31.579 31.823 -0.087 0.000 0.681 926 V HN 0.108 nan 8.190 nan 0.000 0.462 927 I N 0.391 120.846 120.570 -0.191 0.000 2.179 927 I HA -0.210 3.919 4.170 -0.068 0.000 0.242 927 I C 2.687 178.665 176.117 -0.233 0.000 1.088 927 I CA 1.625 62.810 61.300 -0.193 0.000 1.357 927 I CB -0.602 37.277 38.000 -0.201 0.000 1.051 927 I HN 0.368 nan 8.210 nan 0.000 0.409 928 A N 0.611 123.228 122.820 -0.338 0.000 1.933 928 A HA -0.268 4.011 4.320 -0.068 0.000 0.218 928 A C 2.248 179.665 177.584 -0.279 0.000 1.175 928 A CA 2.072 53.910 52.037 -0.332 0.000 0.628 928 A CB -0.440 18.288 19.000 -0.453 0.000 0.814 928 A HN 0.289 nan 8.150 nan 0.000 0.444 929 K N 0.384 120.600 120.400 -0.307 0.000 2.057 929 K HA -0.031 4.248 4.320 -0.068 0.000 0.206 929 K C 2.082 178.591 176.600 -0.152 0.000 1.050 929 K CA 2.080 58.230 56.287 -0.229 0.000 0.935 929 K CB -0.569 31.802 32.500 -0.215 0.000 0.715 929 K HN 0.323 nan 8.250 nan 0.000 0.439 930 S N 0.775 116.390 115.700 -0.142 0.000 2.368 930 S HA -0.065 4.364 4.470 -0.068 0.000 0.225 930 S C 1.768 176.312 174.600 -0.094 0.000 1.030 930 S CA 1.357 59.493 58.200 -0.106 0.000 0.999 930 S CB -0.469 62.673 63.200 -0.096 0.000 0.844 930 S HN 0.607 nan 8.310 nan 0.000 0.459 931 I N -0.530 119.977 120.570 -0.104 0.000 3.578 931 I HA 0.197 4.326 4.170 -0.068 0.000 0.295 931 I C 0.438 176.507 176.117 -0.080 0.000 1.280 931 I CA 0.246 61.495 61.300 -0.086 0.000 1.347 931 I CB -0.581 37.367 38.000 -0.086 0.000 1.051 931 I HN 0.230 nan 8.210 nan 0.000 0.460 932 N N 2.844 121.488 118.700 -0.093 0.000 2.671 932 N HA -0.176 4.524 4.740 -0.068 0.000 0.261 932 N C -0.953 174.519 175.510 -0.064 0.000 1.053 932 N CA 0.520 53.523 53.050 -0.080 0.000 0.732 932 N CB -0.368 38.083 38.487 -0.060 0.000 0.887 932 N HN 0.617 nan 8.380 nan 0.000 0.546 933 K N 0.668 121.023 120.400 -0.076 0.000 2.426 933 K HA 0.213 4.492 4.320 -0.068 0.000 0.251 933 K C -1.118 175.466 176.600 -0.027 0.000 0.941 933 K CA -0.873 55.387 56.287 -0.046 0.000 0.808 933 K CB 1.354 33.827 32.500 -0.045 0.000 1.265 933 K HN 0.096 nan 8.250 nan 0.000 0.432 934 D N 2.638 123.047 120.400 0.015 0.000 2.317 934 D HA 0.126 4.725 4.640 -0.068 0.000 0.252 934 D C -1.806 174.544 176.300 0.085 0.000 1.174 934 D CA -2.178 51.862 54.000 0.067 0.000 0.866 934 D CB 1.462 42.302 40.800 0.065 0.000 1.127 934 D HN 0.099 nan 8.370 nan 0.000 0.467 935 P HA -0.140 nan 4.420 nan 0.000 0.221 935 P C 1.137 178.534 177.300 0.162 0.000 1.145 935 P CA 0.968 64.180 63.100 0.187 0.000 0.795 935 P CB 0.254 32.154 31.700 0.333 0.000 0.775 936 K N 0.275 120.756 120.400 0.135 0.000 2.147 936 K HA -0.103 4.176 4.320 -0.068 0.000 0.205 936 K C 1.469 178.112 176.600 0.072 0.000 1.049 936 K CA 1.717 58.063 56.287 0.100 0.000 0.936 936 K CB -0.069 32.482 32.500 0.085 0.000 0.722 936 K HN 0.143 nan 8.250 nan 0.000 0.446 937 V N -4.572 115.379 119.914 0.063 0.000 3.612 937 V HA 0.414 4.493 4.120 -0.068 0.000 0.268 937 V C 0.923 177.043 176.094 0.042 0.000 1.365 937 V CA 0.424 62.750 62.300 0.043 0.000 1.044 937 V CB 0.869 32.710 31.823 0.029 0.000 0.820 937 V HN 0.137 nan 8.190 nan 0.000 0.444 938 A N 0.301 123.154 122.820 0.054 0.000 2.606 938 A HA 0.379 4.658 4.320 -0.068 0.000 0.290 938 A C 1.588 179.220 177.584 0.081 0.000 1.174 938 A CA 0.492 52.556 52.037 0.045 0.000 0.958 938 A CB -0.092 18.918 19.000 0.017 0.000 1.194 938 A HN 0.554 nan 8.150 nan 0.000 0.526 939 E N 0.631 120.903 120.200 0.121 0.000 2.097 939 E HA -0.298 4.011 4.350 -0.068 0.000 0.196 939 E C 1.685 178.412 176.600 0.213 0.000 1.000 939 E CA 1.871 58.396 56.400 0.209 0.000 0.804 939 E CB -0.012 29.781 29.700 0.155 0.000 0.740 939 E HN 0.582 nan 8.360 nan 0.000 0.454 940 E N 0.799 121.056 120.200 0.096 0.000 2.072 940 E HA -0.202 4.107 4.350 -0.068 0.000 0.191 940 E C 1.649 178.298 176.600 0.082 0.000 0.985 940 E CA 1.815 58.253 56.400 0.063 0.000 0.801 940 E CB -0.344 29.370 29.700 0.023 0.000 0.750 940 E HN 0.342 nan 8.360 nan 0.000 0.452 941 D N -0.517 119.917 120.400 0.057 0.000 2.097 941 D HA -0.113 4.486 4.640 -0.068 0.000 0.195 941 D C 1.921 178.236 176.300 0.026 0.000 0.989 941 D CA 1.495 55.511 54.000 0.027 0.000 0.827 941 D CB -0.138 40.665 40.800 0.004 0.000 0.966 941 D HN 0.298 nan 8.370 nan 0.000 0.456 942 I N -0.337 120.254 120.570 0.035 0.000 2.163 942 I HA -0.294 3.836 4.170 -0.068 0.000 0.243 942 I C 1.992 178.094 176.117 -0.025 0.000 1.085 942 I CA 1.343 62.619 61.300 -0.041 0.000 1.347 942 I CB -0.334 37.591 38.000 -0.125 0.000 1.044 942 I HN 0.185 nan 8.210 nan 0.000 0.408 943 H N 0.068 119.151 119.070 0.021 0.000 2.428 943 H HA -0.020 4.500 4.556 -0.060 0.000 0.296 943 H C 2.347 177.660 175.328 -0.024 0.000 1.062 943 H CA 1.033 57.100 56.048 0.031 0.000 1.350 943 H CB -0.045 29.749 29.762 0.054 0.000 1.403 943 H HN 0.151 nan 8.280 nan 0.000 0.533 944 R N 0.324 120.867 120.500 0.071 0.000 2.091 944 R HA -0.092 4.207 4.340 -0.068 0.000 0.238 944 R C 2.227 178.517 176.300 -0.016 0.000 1.136 944 R CA 1.450 57.545 56.100 -0.009 0.000 0.959 944 R CB -0.060 30.234 30.300 -0.010 0.000 0.856 944 R HN 0.317 nan 8.270 nan 0.000 0.437 945 R N 0.417 120.909 120.500 -0.014 0.000 2.092 945 R HA -0.077 4.222 4.340 -0.068 0.000 0.231 945 R C 2.411 178.707 176.300 -0.006 0.000 1.119 945 R CA 0.945 57.035 56.100 -0.017 0.000 0.970 945 R CB -0.395 29.880 30.300 -0.043 0.000 0.864 945 R HN 0.221 nan 8.270 nan 0.000 0.440 946 L N 0.992 122.197 121.223 -0.030 0.000 2.046 946 L HA -0.205 4.095 4.340 -0.068 0.000 0.208 946 L C 2.322 179.214 176.870 0.036 0.000 1.077 946 L CA 1.555 56.381 54.840 -0.024 0.000 0.747 946 L CB -0.082 41.919 42.059 -0.098 0.000 0.896 946 L HN 0.107 nan 8.230 nan 0.000 0.432 947 R N -0.523 119.995 120.500 0.031 0.000 2.115 947 R HA -0.127 4.172 4.340 -0.068 0.000 0.230 947 R C 2.230 178.620 176.300 0.150 0.000 1.111 947 R CA 1.286 57.429 56.100 0.072 0.000 0.976 947 R CB -0.339 29.848 30.300 -0.188 0.000 0.870 947 R HN 0.416 nan 8.270 nan 0.000 0.445 948 L N -0.529 120.757 121.223 0.104 0.000 2.046 948 L HA -0.121 4.178 4.340 -0.068 0.000 0.208 948 L C 2.572 179.540 176.870 0.162 0.000 1.077 948 L CA 1.522 56.451 54.840 0.148 0.000 0.747 948 L CB -0.954 41.181 42.059 0.126 0.000 0.896 948 L HN 0.363 nan 8.230 nan 0.000 0.432 949 G N 0.007 108.884 108.800 0.129 0.000 2.440 949 G HA2 -0.281 3.638 3.960 -0.068 0.000 0.218 949 G HA3 -0.281 3.638 3.960 -0.068 0.000 0.218 949 G C 1.358 176.330 174.900 0.119 0.000 1.154 949 G CA 0.878 46.049 45.100 0.117 0.000 0.767 949 G HN 0.328 nan 8.290 nan 0.000 0.552 950 N N 0.248 119.026 118.700 0.130 0.000 2.188 950 N HA -0.070 4.629 4.740 -0.068 0.000 0.184 950 N C 2.298 177.877 175.510 0.116 0.000 1.018 950 N CA 0.855 53.985 53.050 0.133 0.000 0.858 950 N CB -0.509 38.074 38.487 0.161 0.000 0.989 950 N HN 0.193 nan 8.380 nan 0.000 0.426 951 V N 1.487 121.489 119.914 0.147 0.000 2.287 951 V HA -0.236 3.843 4.120 -0.068 0.000 0.248 951 V C 2.257 178.400 176.094 0.081 0.000 1.053 951 V CA 1.522 63.885 62.300 0.104 0.000 1.027 951 V CB -0.424 31.496 31.823 0.162 0.000 0.646 951 V HN 0.302 nan 8.190 nan 0.000 0.447 952 M N -1.080 118.595 119.600 0.125 0.000 2.132 952 M HA -0.132 4.307 4.480 -0.068 0.000 0.263 952 M C 2.180 178.528 176.300 0.080 0.000 1.065 952 M CA 1.685 57.065 55.300 0.133 0.000 1.122 952 M CB -0.414 32.257 32.600 0.119 0.000 1.365 952 M HN 0.232 nan 8.290 nan 0.000 0.411 953 I N 0.490 121.106 120.570 0.076 0.000 2.226 953 I HA -0.224 3.905 4.170 -0.068 0.000 0.245 953 I C 2.142 178.286 176.117 0.044 0.000 1.100 953 I CA 1.697 63.043 61.300 0.078 0.000 1.374 953 I CB -1.002 37.071 38.000 0.120 0.000 1.057 953 I HN 0.345 nan 8.210 nan 0.000 0.413 954 L N 0.265 121.491 121.223 0.004 0.000 2.599 954 L HA -0.038 4.261 4.340 -0.068 0.000 0.230 954 L C 1.656 178.377 176.870 -0.248 0.000 1.141 954 L CA 0.773 55.568 54.840 -0.074 0.000 0.877 954 L CB -0.439 41.575 42.059 -0.075 0.000 1.009 954 L HN 0.336 nan 8.230 nan 0.000 0.447 955 T N -6.089 108.342 114.554 -0.205 0.000 3.084 955 T HA 0.214 4.523 4.350 -0.068 0.000 0.270 955 T C 0.655 175.437 174.700 0.137 0.000 1.008 955 T CA -0.298 61.619 62.100 -0.305 0.000 0.900 955 T CB 0.320 69.049 68.868 -0.231 0.000 1.084 955 T HN -0.048 nan 8.240 nan 0.000 0.538 956 S N 2.491 118.228 115.700 0.061 0.000 2.585 956 S HA 0.422 4.852 4.470 -0.068 0.000 0.277 956 S C 0.235 174.863 174.600 0.048 0.000 1.241 956 S CA -0.820 57.395 58.200 0.025 0.000 1.041 956 S CB 0.959 64.147 63.200 -0.020 0.000 0.987 956 S HN 0.346 nan 8.310 nan 0.000 0.512 957 Q N 0.885 120.687 119.800 0.003 0.000 2.492 957 Q HA 0.478 4.777 4.340 -0.068 0.000 0.238 957 Q C 0.990 176.986 176.000 -0.007 0.000 1.045 957 Q CA 0.609 56.413 55.803 0.003 0.000 0.934 957 Q CB 0.159 28.868 28.738 -0.048 0.000 1.276 957 Q HN 1.054 nan 8.270 nan 0.000 0.521 958 G N 0.204 109.002 108.800 -0.004 0.000 2.512 958 G HA2 -0.196 3.724 3.960 -0.068 0.000 0.210 958 G HA3 -0.196 3.724 3.960 -0.068 0.000 0.210 958 G C -0.880 174.028 174.900 0.014 0.000 1.295 958 G CA -0.397 44.697 45.100 -0.010 0.000 0.934 958 G HN 0.565 nan 8.290 nan 0.000 0.554 959 T N 1.444 116.001 114.554 0.005 0.000 2.771 959 T HA 0.668 4.978 4.350 -0.068 0.000 0.291 959 T C 0.674 175.415 174.700 0.069 0.000 0.954 959 T CA 0.761 62.877 62.100 0.027 0.000 1.045 959 T CB 1.233 70.089 68.868 -0.020 0.000 0.917 959 T HN 1.655 nan 8.240 nan 0.000 0.484 960 A N 3.651 126.535 122.820 0.107 0.000 2.328 960 A HA 0.695 4.974 4.320 -0.068 0.000 0.284 960 A C -0.763 176.957 177.584 0.226 0.000 1.160 960 A CA -0.494 51.634 52.037 0.152 0.000 0.818 960 A CB 0.036 19.104 19.000 0.113 0.000 1.087 960 A HN 0.804 nan 8.150 nan 0.000 0.504 961 F N 3.802 123.825 119.950 0.123 0.000 2.529 961 F HA 0.653 5.135 4.527 -0.075 0.000 0.320 961 F C -0.962 174.970 175.800 0.220 0.000 1.118 961 F CA -0.989 57.112 58.000 0.168 0.000 0.915 961 F CB 1.284 40.403 39.000 0.198 0.000 1.161 961 F HN 0.356 nan 8.300 nan 0.000 0.445 962 I N 5.771 126.159 120.570 -0.302 0.000 2.466 962 I HA 0.183 4.312 4.170 -0.068 0.000 0.289 962 I C -0.245 175.639 176.117 -0.389 0.000 1.026 962 I CA -0.563 60.657 61.300 -0.134 0.000 1.078 962 I CB 1.479 39.505 38.000 0.043 0.000 1.249 962 I HN 0.664 nan 8.210 nan 0.000 0.429 963 H N 4.602 123.551 119.070 -0.202 0.000 2.683 963 H HA 0.125 4.652 4.556 -0.049 0.000 0.339 963 H C 0.161 175.300 175.328 -0.315 0.000 1.081 963 H CA 0.030 55.958 56.048 -0.201 0.000 1.432 963 H CB 1.205 30.989 29.762 0.037 0.000 1.462 963 H HN 0.629 nan 8.280 nan 0.000 0.557 964 S N 2.839 117.932 115.700 -1.012 0.000 2.546 964 S HA 0.152 4.581 4.470 -0.068 0.000 0.290 964 S C 1.248 175.608 174.600 -0.400 0.000 1.262 964 S CA 0.907 58.603 58.200 -0.839 0.000 1.083 964 S CB -0.519 62.317 63.200 -0.606 0.000 0.859 964 S HN 1.025 nan 8.310 nan 0.000 0.495 965 G N 3.837 112.691 108.800 0.090 0.000 2.234 965 G HA2 -0.289 3.630 3.960 -0.068 0.000 0.235 965 G HA3 -0.289 3.630 3.960 -0.068 0.000 0.235 965 G C 0.798 175.470 174.900 -0.380 0.000 0.997 965 G CA 0.609 45.571 45.100 -0.230 0.000 0.623 965 G HN 0.699 nan 8.290 nan 0.000 0.514 966 Q N 0.679 120.411 119.800 -0.114 0.000 2.226 966 Q HA -0.127 4.173 4.340 -0.068 0.000 0.204 966 Q C 2.483 178.501 176.000 0.029 0.000 0.975 966 Q CA 1.865 57.658 55.803 -0.016 0.000 0.866 966 Q CB -0.157 28.634 28.738 0.088 0.000 0.915 966 Q HN 0.770 nan 8.270 nan 0.000 0.440 967 E N -0.040 120.240 120.200 0.133 0.000 2.204 967 E HA -0.207 4.103 4.350 -0.068 0.000 0.194 967 E C 1.270 178.019 176.600 0.249 0.000 0.989 967 E CA 1.328 57.863 56.400 0.226 0.000 0.824 967 E CB -0.320 29.579 29.700 0.332 0.000 0.756 967 E HN 0.745 nan 8.360 nan 0.000 0.477 968 Y N -1.250 119.129 120.300 0.131 0.000 2.426 968 Y HA 0.560 5.076 4.550 -0.058 0.000 0.249 968 Y C 1.077 177.036 175.900 0.100 0.000 1.103 968 Y CA -0.121 58.039 58.100 0.099 0.000 1.256 968 Y CB 0.603 39.063 38.460 0.000 0.000 1.208 968 Y HN 0.032 nan 8.280 nan 0.000 0.519 969 G N 1.843 110.433 108.800 -0.349 0.000 2.392 969 G HA2 -0.260 3.659 3.960 -0.068 0.000 0.215 969 G HA3 -0.260 3.659 3.960 -0.068 0.000 0.215 969 G C -0.162 174.430 174.900 -0.515 0.000 1.097 969 G CA -0.215 44.704 45.100 -0.302 0.000 0.840 969 G HN 0.622 nan 8.290 nan 0.000 0.492 970 R N 0.107 120.094 120.500 -0.856 0.000 2.638 970 R HA 0.411 4.711 4.340 -0.068 0.000 0.268 970 R C 0.178 176.341 176.300 -0.229 0.000 1.006 970 R CA 1.147 56.858 56.100 -0.648 0.000 1.088 970 R CB 0.380 30.330 30.300 -0.583 0.000 0.950 970 R HN 0.242 nan 8.270 nan 0.000 0.419 971 T N 2.440 116.917 114.554 -0.128 0.000 2.907 971 T HA 0.358 4.668 4.350 -0.068 0.000 0.292 971 T C -0.652 174.094 174.700 0.077 0.000 1.043 971 T CA -0.819 61.302 62.100 0.035 0.000 1.003 971 T CB 1.102 69.989 68.868 0.031 0.000 1.084 971 T HN 0.657 nan 8.240 nan 0.000 0.483 972 K N 2.497 123.005 120.400 0.180 0.000 3.202 972 K HA 0.262 4.541 4.320 -0.068 0.000 0.206 972 K C 0.277 176.947 176.600 0.117 0.000 1.142 972 K CA -0.459 55.911 56.287 0.139 0.000 0.979 972 K CB 0.674 33.266 32.500 0.152 0.000 0.863 972 K HN 0.318 nan 8.250 nan 0.000 0.479 973 R N 1.593 122.103 120.500 0.018 0.000 2.491 973 R HA 0.106 4.405 4.340 -0.068 0.000 0.283 973 R C -0.399 175.762 176.300 -0.231 0.000 1.072 973 R CA -0.403 55.487 56.100 -0.350 0.000 1.048 973 R CB 0.475 30.475 30.300 -0.500 0.000 0.983 973 R HN 0.101 nan 8.270 nan 0.000 0.450 974 L N 6.934 128.006 121.223 -0.252 0.000 2.375 974 L HA 0.154 4.453 4.340 -0.068 0.000 0.276 974 L C -0.220 176.456 176.870 -0.323 0.000 1.162 974 L CA 0.386 55.147 54.840 -0.132 0.000 0.991 974 L CB 0.313 42.337 42.059 -0.058 0.000 1.315 974 L HN 0.613 nan 8.230 nan 0.000 0.431 975 L N 4.417 125.146 121.223 -0.823 0.000 2.672 975 L HA 0.217 4.517 4.340 -0.068 0.000 0.238 975 L C 0.431 176.776 176.870 -0.874 0.000 1.392 975 L CA -0.006 53.969 54.840 -1.441 0.000 1.238 975 L CB -0.890 40.083 42.059 -1.810 0.000 1.548 975 L HN 0.578 nan 8.230 nan 0.000 0.423 976 N N 1.100 119.682 118.700 -0.197 0.000 2.408 976 N HA 0.238 4.937 4.740 -0.068 0.000 0.280 976 N C -1.892 173.796 175.510 0.297 0.000 1.002 976 N CA -1.764 51.362 53.050 0.127 0.000 0.907 976 N CB 2.346 41.008 38.487 0.291 0.000 1.161 976 N HN -0.111 nan 8.380 nan 0.000 0.488 977 P HA -0.118 nan 4.420 nan 0.000 0.217 977 P C 0.313 177.636 177.300 0.039 0.000 1.148 977 P CA 1.222 64.424 63.100 0.170 0.000 0.834 977 P CB 0.374 32.125 31.700 0.085 0.000 0.783 978 D N -2.409 117.953 120.400 -0.064 0.000 2.310 978 D HA -0.107 4.492 4.640 -0.068 0.000 0.212 978 D C 0.373 176.351 176.300 -0.537 0.000 0.965 978 D CA 1.110 54.907 54.000 -0.338 0.000 0.879 978 D CB -0.294 40.202 40.800 -0.506 0.000 0.921 978 D HN 0.353 nan 8.370 nan 0.000 0.510 979 Y N -0.184 120.181 120.300 0.109 0.000 2.669 979 Y HA 0.233 4.746 4.550 -0.062 0.000 0.302 979 Y C 1.403 177.422 175.900 0.200 0.000 1.000 979 Y CA -0.490 57.710 58.100 0.167 0.000 1.222 979 Y CB 0.165 38.717 38.460 0.153 0.000 1.209 979 Y HN -0.230 nan 8.280 nan 0.000 0.571 980 M N 0.675 120.334 119.600 0.098 0.000 2.159 980 M HA -0.053 4.387 4.480 -0.068 0.000 0.263 980 M C 0.725 176.948 176.300 -0.128 0.000 1.063 980 M CA 1.489 56.652 55.300 -0.229 0.000 1.110 980 M CB -0.065 32.370 32.600 -0.275 0.000 1.374 980 M HN 0.296 nan 8.290 nan 0.000 0.411 981 T N -2.716 111.849 114.554 0.019 0.000 2.883 981 T HA 0.350 4.660 4.350 -0.068 0.000 0.296 981 T C -0.636 174.163 174.700 0.166 0.000 1.117 981 T CA -1.213 60.909 62.100 0.037 0.000 1.006 981 T CB 1.357 70.220 68.868 -0.008 0.000 1.191 981 T HN 0.212 nan 8.240 nan 0.000 0.508 982 K N 1.462 121.925 120.400 0.103 0.000 2.491 982 K HA 0.260 4.540 4.320 -0.068 0.000 0.279 982 K C 0.328 177.081 176.600 0.255 0.000 1.026 982 K CA -0.265 56.130 56.287 0.179 0.000 1.070 982 K CB -0.098 32.429 32.500 0.045 0.000 0.887 982 K HN 0.611 nan 8.250 nan 0.000 0.481 983 V N 0.617 120.772 119.914 0.402 0.000 3.267 983 V HA 0.458 4.537 4.120 -0.068 0.000 0.317 983 V C 0.041 176.251 176.094 0.193 0.000 1.131 983 V CA -0.916 61.529 62.300 0.242 0.000 1.031 983 V CB 1.590 33.551 31.823 0.230 0.000 1.159 983 V HN 0.753 nan 8.190 nan 0.000 0.454 984 S N 0.651 116.424 115.700 0.122 0.000 2.593 984 S HA 0.142 4.571 4.470 -0.068 0.000 0.269 984 S C 0.668 175.325 174.600 0.095 0.000 1.334 984 S CA 0.018 58.273 58.200 0.093 0.000 1.015 984 S CB 0.791 64.027 63.200 0.060 0.000 0.912 984 S HN 0.924 nan 8.310 nan 0.000 0.541 985 D N 1.536 121.983 120.400 0.079 0.000 2.190 985 D HA -0.112 4.487 4.640 -0.068 0.000 0.200 985 D C 1.116 177.448 176.300 0.053 0.000 0.992 985 D CA 1.317 55.358 54.000 0.069 0.000 0.854 985 D CB -0.264 40.569 40.800 0.055 0.000 0.936 985 D HN 0.493 nan 8.370 nan 0.000 0.462 986 D N 0.099 120.527 120.400 0.047 0.000 2.144 986 D HA -0.055 4.544 4.640 -0.068 0.000 0.200 986 D C 1.034 177.358 176.300 0.040 0.000 0.978 986 D CA 0.916 54.938 54.000 0.037 0.000 0.833 986 D CB -0.003 40.815 40.800 0.030 0.000 0.961 986 D HN 0.217 nan 8.370 nan 0.000 0.470 987 K N 0.165 120.597 120.400 0.053 0.000 2.498 987 K HA 0.228 4.507 4.320 -0.068 0.000 0.207 987 K C -0.026 176.633 176.600 0.098 0.000 1.033 987 K CA -0.240 56.089 56.287 0.069 0.000 1.138 987 K CB 0.634 33.171 32.500 0.061 0.000 0.860 987 K HN 0.097 nan 8.250 nan 0.000 0.490 988 L N 3.540 124.785 121.223 0.037 0.000 2.485 988 L HA 0.059 4.358 4.340 -0.068 0.000 0.275 988 L C -1.711 175.059 176.870 -0.166 0.000 1.207 988 L CA -1.464 53.335 54.840 -0.070 0.000 0.855 988 L CB -0.148 41.893 42.059 -0.030 0.000 1.114 988 L HN 0.015 nan 8.230 nan 0.000 0.485 989 P HA 0.060 nan 4.420 nan 0.000 0.275 989 P C -0.933 176.190 177.300 -0.295 0.000 1.228 989 P CA -0.525 62.238 63.100 -0.562 0.000 0.786 989 P CB 0.572 31.573 31.700 -1.165 0.000 0.927 990 N N 2.644 121.226 118.700 -0.198 0.000 2.483 990 N HA -0.026 4.673 4.740 -0.068 0.000 0.264 990 N C 0.172 175.598 175.510 -0.140 0.000 1.197 990 N CA 0.344 53.326 53.050 -0.114 0.000 0.927 990 N CB -0.140 38.300 38.487 -0.078 0.000 1.065 990 N HN 0.203 nan 8.380 nan 0.000 0.461 991 K N -0.736 119.599 120.400 -0.108 0.000 3.071 991 K HA -0.182 4.097 4.320 -0.068 0.000 0.265 991 K C -1.058 175.237 176.600 -0.509 0.000 1.060 991 K CA 0.890 56.980 56.287 -0.328 0.000 0.767 991 K CB -2.236 30.087 32.500 -0.295 0.000 1.241 991 K HN 0.594 nan 8.250 nan 0.000 0.486 992 A N 0.079 122.857 122.820 -0.069 0.000 2.337 992 A HA 0.743 5.022 4.320 -0.068 0.000 0.331 992 A C -0.038 177.789 177.584 0.405 0.000 1.137 992 A CA -0.316 51.791 52.037 0.118 0.000 0.807 992 A CB 1.300 20.292 19.000 -0.013 0.000 1.250 992 A HN 0.092 nan 8.150 nan 0.000 0.468 993 T N 1.825 116.654 114.554 0.458 0.000 2.812 993 T HA 0.459 4.768 4.350 -0.068 0.000 0.282 993 T C -0.705 174.192 174.700 0.329 0.000 0.990 993 T CA -0.227 62.086 62.100 0.355 0.000 0.960 993 T CB 0.964 69.987 68.868 0.259 0.000 0.948 993 T HN 0.559 nan 8.240 nan 0.000 0.438 994 L N 4.496 125.835 121.223 0.194 0.000 2.290 994 L HA 0.554 4.853 4.340 -0.068 0.000 0.284 994 L C -1.092 175.778 176.870 0.001 0.000 1.078 994 L CA -0.283 54.543 54.840 -0.023 0.000 0.815 994 L CB 0.232 42.225 42.059 -0.111 0.000 1.162 994 L HN 0.485 nan 8.230 nan 0.000 0.435 995 I N 4.680 125.264 120.570 0.023 0.000 2.328 995 I HA 0.251 4.380 4.170 -0.068 0.000 0.287 995 I C 1.017 177.119 176.117 -0.024 0.000 1.012 995 I CA 0.036 61.327 61.300 -0.015 0.000 1.195 995 I CB 1.310 39.285 38.000 -0.042 0.000 1.350 995 I HN 0.636 nan 8.210 nan 0.000 0.464 996 E N 4.034 124.209 120.200 -0.041 0.000 2.153 996 E HA -0.169 4.141 4.350 -0.068 0.000 0.194 996 E C 2.055 178.639 176.600 -0.026 0.000 0.988 996 E CA 1.464 57.840 56.400 -0.040 0.000 0.811 996 E CB -0.012 29.668 29.700 -0.033 0.000 0.746 996 E HN 0.754 nan 8.360 nan 0.000 0.466 997 A N 0.406 123.215 122.820 -0.019 0.000 2.167 997 A HA 0.030 4.309 4.320 -0.068 0.000 0.214 997 A C 0.882 178.473 177.584 0.011 0.000 1.151 997 A CA 0.119 52.150 52.037 -0.009 0.000 0.735 997 A CB 0.113 19.104 19.000 -0.015 0.000 0.802 997 A HN 0.049 nan 8.150 nan 0.000 0.467 998 V N 1.035 120.968 119.914 0.033 0.000 2.555 998 V HA 0.060 4.139 4.120 -0.068 0.000 0.286 998 V C 0.992 177.097 176.094 0.019 0.000 1.044 998 V CA 0.038 62.377 62.300 0.064 0.000 1.026 998 V CB 1.202 33.120 31.823 0.158 0.000 0.981 998 V HN 0.503 nan 8.190 nan 0.000 0.480 999 K N 2.655 123.062 120.400 0.012 0.000 2.078 999 K HA 0.144 4.423 4.320 -0.068 0.000 0.203 999 K C 0.267 176.833 176.600 -0.057 0.000 1.043 999 K CA 0.696 56.970 56.287 -0.021 0.000 0.960 999 K CB 0.285 32.774 32.500 -0.018 0.000 0.761 999 K HN 0.657 nan 8.250 nan 0.000 0.448 1000 E N 0.615 120.775 120.200 -0.066 0.000 2.158 1000 E HA 0.166 4.475 4.350 -0.068 0.000 0.271 1000 E C -1.399 175.136 176.600 -0.108 0.000 0.911 1000 E CA -0.702 55.579 56.400 -0.198 0.000 0.767 1000 E CB 1.014 30.571 29.700 -0.239 0.000 1.120 1000 E HN 0.068 nan 8.360 nan 0.000 0.405 1001 Y N 1.262 121.551 120.300 -0.018 0.000 2.973 1001 Y HA -0.150 4.358 4.550 -0.070 0.000 0.153 1001 Y C -1.871 173.961 175.900 -0.113 0.000 1.748 1001 Y CA 0.010 58.079 58.100 -0.052 0.000 0.920 1001 Y CB -1.319 37.063 38.460 -0.129 0.000 1.478 1001 Y HN 0.612 nan 8.280 nan 0.000 0.366 1002 P HA -0.027 nan 4.420 nan 0.000 0.245 1002 P C -0.141 177.115 177.300 -0.073 0.000 1.206 1002 P CA 0.852 63.925 63.100 -0.045 0.000 0.781 1002 P CB 0.374 31.954 31.700 -0.199 0.000 0.994 1003 Y N 0.183 120.494 120.300 0.019 0.000 2.313 1003 Y HA 0.428 4.934 4.550 -0.073 0.000 0.332 1003 Y C 0.493 176.304 175.900 -0.148 0.000 1.071 1003 Y CA -0.353 57.771 58.100 0.040 0.000 1.169 1003 Y CB 0.537 38.972 38.460 -0.042 0.000 1.192 1003 Y HN -0.238 nan 8.280 nan 0.000 0.487 1004 F N 3.309 123.375 119.950 0.194 0.000 2.540 1004 F HA 0.460 4.952 4.527 -0.057 0.000 0.317 1004 F C -0.561 175.319 175.800 0.134 0.000 1.104 1004 F CA -1.183 56.900 58.000 0.140 0.000 0.913 1004 F CB 1.257 40.329 39.000 0.120 0.000 1.170 1004 F HN 0.152 nan 8.300 nan 0.000 0.450 1005 I N 3.889 124.595 120.570 0.225 0.000 2.352 1005 I HA 0.050 4.179 4.170 -0.068 0.000 0.290 1005 I C 1.194 177.396 176.117 0.142 0.000 1.036 1005 I CA -0.176 61.177 61.300 0.089 0.000 1.336 1005 I CB 0.624 38.630 38.000 0.009 0.000 1.407 1005 I HN 0.770 nan 8.210 nan 0.000 0.497 1006 H N 2.734 121.891 119.070 0.146 0.000 2.586 1006 H HA 0.245 4.764 4.556 -0.062 0.000 0.273 1006 H C -0.641 174.790 175.328 0.172 0.000 0.997 1006 H CA -0.151 55.981 56.048 0.140 0.000 1.177 1006 H CB 0.926 30.751 29.762 0.105 0.000 1.471 1006 H HN 0.499 nan 8.280 nan 0.000 0.538 1007 D N 1.542 121.905 120.400 -0.062 0.000 2.381 1007 D HA 0.042 4.641 4.640 -0.068 0.000 0.245 1007 D C -0.021 176.285 176.300 0.009 0.000 1.297 1007 D CA -0.323 53.743 54.000 0.110 0.000 0.931 1007 D CB 0.944 41.782 40.800 0.064 0.000 1.334 1007 D HN 0.214 nan 8.370 nan 0.000 0.535 1008 S N 2.039 117.759 115.700 0.032 0.000 2.618 1008 S HA 0.009 4.438 4.470 -0.068 0.000 0.242 1008 S C 1.641 175.843 174.600 -0.663 0.000 0.972 1008 S CA -0.591 57.508 58.200 -0.169 0.000 1.004 1008 S CB -0.895 62.333 63.200 0.047 0.000 0.778 1008 S HN 0.531 nan 8.310 nan 0.000 0.459 1009 Y N 0.626 120.118 120.300 -1.346 0.000 2.333 1009 Y HA 0.094 4.602 4.550 -0.070 0.000 0.290 1009 Y C 1.239 176.825 175.900 -0.523 0.000 1.144 1009 Y CA 1.300 58.468 58.100 -1.554 0.000 1.228 1009 Y CB -0.207 37.644 38.460 -1.015 0.000 0.985 1009 Y HN 0.405 nan 8.280 nan 0.000 0.542 1010 D N 0.312 120.055 120.400 -1.095 0.000 2.696 1010 D HA 0.230 4.829 4.640 -0.068 0.000 0.269 1010 D C -0.713 175.327 176.300 -0.432 0.000 1.319 1010 D CA -0.136 53.382 54.000 -0.803 0.000 0.826 1010 D CB 0.314 40.401 40.800 -1.188 0.000 1.086 1010 D HN 0.208 nan 8.370 nan 0.000 0.481 1011 S N -0.628 114.831 115.700 -0.401 0.000 2.687 1011 S HA 0.517 4.946 4.470 -0.068 0.000 0.283 1011 S C 0.233 174.589 174.600 -0.407 0.000 1.170 1011 S CA -0.732 57.258 58.200 -0.351 0.000 1.008 1011 S CB 1.426 64.434 63.200 -0.319 0.000 1.026 1011 S HN 0.350 nan 8.310 nan 0.000 0.541 1012 S N 0.811 116.330 115.700 -0.301 0.000 2.608 1012 S HA 0.154 4.583 4.470 -0.068 0.000 0.261 1012 S C 0.447 174.843 174.600 -0.339 0.000 1.314 1012 S CA -0.418 57.622 58.200 -0.267 0.000 0.992 1012 S CB 0.175 63.243 63.200 -0.220 0.000 0.935 1012 S HN 0.641 nan 8.310 nan 0.000 0.564 1013 D N 1.084 121.355 120.400 -0.214 0.000 2.178 1013 D HA -0.068 4.531 4.640 -0.068 0.000 0.201 1013 D C 2.204 178.449 176.300 -0.093 0.000 0.980 1013 D CA 1.559 55.484 54.000 -0.125 0.000 0.842 1013 D CB -0.784 39.997 40.800 -0.031 0.000 0.948 1013 D HN 0.702 nan 8.370 nan 0.000 0.472 1014 A N 1.201 123.860 122.820 -0.268 0.000 1.908 1014 A HA -0.182 4.097 4.320 -0.068 0.000 0.218 1014 A C 2.218 179.591 177.584 -0.351 0.000 1.181 1014 A CA 0.982 52.719 52.037 -0.501 0.000 0.627 1014 A CB -0.428 17.828 19.000 -1.241 0.000 0.818 1014 A HN 0.140 nan 8.150 nan 0.000 0.445 1015 I N -0.093 120.295 120.570 -0.303 0.000 2.333 1015 I HA -0.116 4.013 4.170 -0.068 0.000 0.246 1015 I C 1.491 177.534 176.117 -0.123 0.000 1.106 1015 I CA 1.216 62.438 61.300 -0.130 0.000 1.411 1015 I CB -1.146 36.776 38.000 -0.130 0.000 1.082 1015 I HN 0.323 nan 8.210 nan 0.000 0.420 1016 N N 0.219 118.812 118.700 -0.179 0.000 2.373 1016 N HA -0.047 4.652 4.740 -0.068 0.000 0.181 1016 N C 0.472 175.989 175.510 0.011 0.000 1.082 1016 N CA 0.041 53.007 53.050 -0.140 0.000 0.885 1016 N CB -0.195 38.008 38.487 -0.474 0.000 0.977 1016 N HN 0.582 nan 8.380 nan 0.000 0.462 1017 H N -1.104 117.967 119.070 0.002 0.000 2.707 1017 H HA 0.122 4.639 4.556 -0.064 0.000 0.359 1017 H C -0.316 175.090 175.328 0.130 0.000 1.113 1017 H CA -0.604 55.501 56.048 0.093 0.000 1.422 1017 H CB 0.137 29.932 29.762 0.055 0.000 1.443 1017 H HN -0.103 nan 8.280 nan 0.000 0.591 1018 F N 2.676 122.655 119.950 0.048 0.000 2.504 1018 F HA 0.060 4.545 4.527 -0.070 0.000 0.369 1018 F C 0.268 175.951 175.800 -0.195 0.000 1.082 1018 F CA -0.317 57.607 58.000 -0.127 0.000 1.216 1018 F CB 0.397 39.254 39.000 -0.239 0.000 1.108 1018 F HN 0.733 nan 8.300 nan 0.000 0.554 1019 D N 6.219 126.229 120.400 -0.649 0.000 2.422 1019 D HA -0.007 4.592 4.640 -0.068 0.000 0.227 1019 D C 0.378 176.186 176.300 -0.820 0.000 1.190 1019 D CA -0.043 53.659 54.000 -0.497 0.000 0.905 1019 D CB 0.165 40.698 40.800 -0.445 0.000 1.034 1019 D HN 0.663 nan 8.370 nan 0.000 0.507 1020 W N 2.952 124.086 121.300 -0.277 0.000 2.418 1020 W HA -0.034 4.589 4.660 -0.061 0.000 0.292 1020 W C 2.368 178.705 176.519 -0.304 0.000 1.213 1020 W CA 0.758 57.956 57.345 -0.245 0.000 1.283 1020 W CB -0.077 29.305 29.460 -0.130 0.000 1.119 1020 W HN 0.562 nan 8.180 nan 0.000 0.542 1021 A N 0.547 123.314 122.820 -0.087 0.000 1.858 1021 A HA -0.125 4.154 4.320 -0.068 0.000 0.216 1021 A C 2.077 179.395 177.584 -0.443 0.000 1.190 1021 A CA 2.456 54.393 52.037 -0.167 0.000 0.617 1021 A CB -1.365 17.564 19.000 -0.119 0.000 0.827 1021 A HN 0.183 nan 8.150 nan 0.000 0.443 1022 A N -0.421 121.936 122.820 -0.772 0.000 1.978 1022 A HA 0.150 4.429 4.320 -0.068 0.000 0.220 1022 A C 2.420 179.659 177.584 -0.574 0.000 1.170 1022 A CA 2.144 53.720 52.037 -0.768 0.000 0.636 1022 A CB -0.813 17.791 19.000 -0.660 0.000 0.810 1022 A HN 1.059 nan 8.150 nan 0.000 0.448 1023 A N -1.120 121.221 122.820 -0.798 0.000 1.970 1023 A HA 0.090 4.369 4.320 -0.068 0.000 0.216 1023 A C 2.168 179.742 177.584 -0.016 0.000 1.170 1023 A CA 2.188 53.933 52.037 -0.488 0.000 0.645 1023 A CB -0.466 18.121 19.000 -0.688 0.000 0.816 1023 A HN 0.805 nan 8.150 nan 0.000 0.447 1024 T N -4.882 109.680 114.554 0.014 0.000 2.969 1024 T HA 0.136 4.445 4.350 -0.068 0.000 0.258 1024 T C 0.088 174.853 174.700 0.109 0.000 0.962 1024 T CA 0.266 62.453 62.100 0.144 0.000 0.903 1024 T CB -0.045 68.957 68.868 0.223 0.000 1.177 1024 T HN 0.141 nan 8.240 nan 0.000 0.511 1025 D N 2.415 122.866 120.400 0.085 0.000 2.422 1025 D HA 0.237 4.836 4.640 -0.068 0.000 0.227 1025 D C 0.460 176.838 176.300 0.131 0.000 1.190 1025 D CA -0.177 53.894 54.000 0.118 0.000 0.905 1025 D CB 0.478 41.378 40.800 0.167 0.000 1.034 1025 D HN 0.086 nan 8.370 nan 0.000 0.507 1026 N N 3.291 122.049 118.700 0.097 0.000 2.120 1026 N HA -0.159 4.540 4.740 -0.068 0.000 0.188 1026 N C 1.105 176.652 175.510 0.062 0.000 1.024 1026 N CA 0.851 53.950 53.050 0.082 0.000 0.852 1026 N CB 0.020 38.548 38.487 0.069 0.000 1.003 1026 N HN 0.428 nan 8.380 nan 0.000 0.424 1027 N N 1.134 119.864 118.700 0.049 0.000 2.135 1027 N HA -0.039 4.660 4.740 -0.068 0.000 0.186 1027 N C 1.524 177.026 175.510 -0.015 0.000 1.027 1027 N CA 0.957 54.018 53.050 0.019 0.000 0.849 1027 N CB -0.103 38.394 38.487 0.016 0.000 1.002 1027 N HN 0.350 nan 8.380 nan 0.000 0.425 1028 K N -0.374 120.017 120.400 -0.016 0.000 2.167 1028 K HA 0.002 4.281 4.320 -0.068 0.000 0.203 1028 K C -0.110 176.231 176.600 -0.431 0.000 1.052 1028 K CA 0.829 57.006 56.287 -0.184 0.000 0.956 1028 K CB 0.014 32.432 32.500 -0.137 0.000 0.735 1028 K HN 0.372 nan 8.250 nan 0.000 0.451 1029 H N -0.182 118.886 119.070 -0.003 0.000 2.380 1029 H HA 0.125 4.640 4.556 -0.068 0.000 0.231 1029 H C -2.079 173.242 175.328 -0.012 0.000 1.415 1029 H CA -1.609 54.431 56.048 -0.013 0.000 1.433 1029 H CB 0.970 30.719 29.762 -0.022 0.000 1.544 1029 H HN 0.001 nan 8.280 nan 0.000 0.503 1030 P HA -0.114 nan 4.420 nan 0.000 0.221 1030 P C 1.322 178.629 177.300 0.012 0.000 1.150 1030 P CA 1.012 64.130 63.100 0.031 0.000 0.800 1030 P CB 0.806 32.509 31.700 0.006 0.000 0.787 1031 I N 0.707 121.255 120.570 -0.036 0.000 2.233 1031 I HA -0.187 3.942 4.170 -0.068 0.000 0.243 1031 I C 2.682 178.714 176.117 -0.141 0.000 1.093 1031 I CA 1.922 63.140 61.300 -0.137 0.000 1.380 1031 I CB -0.784 37.050 38.000 -0.277 0.000 1.067 1031 I HN 0.051 nan 8.210 nan 0.000 0.413 1032 S N 0.155 115.812 115.700 -0.071 0.000 2.406 1032 S HA -0.156 4.273 4.470 -0.068 0.000 0.228 1032 S C 2.062 176.766 174.600 0.172 0.000 1.020 1032 S CA 1.401 59.673 58.200 0.119 0.000 0.965 1032 S CB -1.113 62.205 63.200 0.197 0.000 0.798 1032 S HN 0.569 nan 8.310 nan 0.000 0.488 1033 T N 0.191 114.818 114.554 0.122 0.000 2.904 1033 T HA 0.050 4.359 4.350 -0.068 0.000 0.267 1033 T C 1.721 176.506 174.700 0.142 0.000 1.059 1033 T CA 1.197 63.378 62.100 0.135 0.000 1.137 1033 T CB -0.431 68.505 68.868 0.114 0.000 0.879 1033 T HN 0.504 nan 8.240 nan 0.000 0.467 1034 K N 0.970 121.438 120.400 0.113 0.000 2.057 1034 K HA -0.105 4.175 4.320 -0.068 0.000 0.207 1034 K C 2.321 179.024 176.600 0.171 0.000 1.049 1034 K CA 1.624 57.983 56.287 0.120 0.000 0.931 1034 K CB -0.492 32.048 32.500 0.068 0.000 0.714 1034 K HN 0.322 nan 8.250 nan 0.000 0.440 1035 T N 1.033 115.694 114.554 0.179 0.000 2.788 1035 T HA -0.190 4.120 4.350 -0.068 0.000 0.268 1035 T C 1.749 176.615 174.700 0.277 0.000 1.044 1035 T CA 1.737 63.979 62.100 0.236 0.000 1.139 1035 T CB -0.193 68.875 68.868 0.333 0.000 0.867 1035 T HN 0.491 nan 8.240 nan 0.000 0.454 1036 Q N 1.766 121.725 119.800 0.266 0.000 2.123 1036 Q HA 0.186 4.485 4.340 -0.068 0.000 0.199 1036 Q C 2.184 178.307 176.000 0.206 0.000 0.966 1036 Q CA 1.709 57.671 55.803 0.265 0.000 0.845 1036 Q CB -0.687 28.240 28.738 0.315 0.000 0.907 1036 Q HN 0.390 nan 8.270 nan 0.000 0.439 1037 A N -0.418 122.518 122.820 0.194 0.000 1.969 1037 A HA -0.117 4.163 4.320 -0.068 0.000 0.218 1037 A C 1.961 179.645 177.584 0.168 0.000 1.169 1037 A CA 1.189 53.317 52.037 0.152 0.000 0.635 1037 A CB -1.004 18.081 19.000 0.142 0.000 0.810 1037 A HN 0.558 nan 8.150 nan 0.000 0.445 1038 Y N 1.191 121.543 120.300 0.086 0.000 2.145 1038 Y HA -0.193 4.315 4.550 -0.070 0.000 0.286 1038 Y C 2.787 178.729 175.900 0.069 0.000 1.145 1038 Y CA 2.368 60.515 58.100 0.077 0.000 1.148 1038 Y CB -0.515 37.998 38.460 0.089 0.000 0.981 1038 Y HN 0.337 nan 8.280 nan 0.000 0.507 1039 T N 0.143 114.832 114.554 0.225 0.000 2.777 1039 T HA -0.182 4.127 4.350 -0.068 0.000 0.266 1039 T C 2.119 176.850 174.700 0.052 0.000 1.040 1039 T CA 1.244 63.427 62.100 0.138 0.000 1.141 1039 T CB -0.752 68.223 68.868 0.179 0.000 0.868 1039 T HN 0.456 nan 8.240 nan 0.000 0.444 1040 A N 1.500 124.349 122.820 0.048 0.000 1.908 1040 A HA 0.056 4.335 4.320 -0.068 0.000 0.218 1040 A C 2.630 180.199 177.584 -0.025 0.000 1.181 1040 A CA 1.913 53.948 52.037 -0.002 0.000 0.627 1040 A CB -1.366 17.630 19.000 -0.008 0.000 0.818 1040 A HN 0.520 nan 8.150 nan 0.000 0.445 1041 G N -0.542 108.234 108.800 -0.040 0.000 2.422 1041 G HA2 -0.080 3.839 3.960 -0.068 0.000 0.218 1041 G HA3 -0.080 3.839 3.960 -0.068 0.000 0.218 1041 G C 1.514 176.350 174.900 -0.107 0.000 1.140 1041 G CA 0.895 45.951 45.100 -0.074 0.000 0.775 1041 G HN 0.437 nan 8.290 nan 0.000 0.545 1042 L N -0.015 121.125 121.223 -0.138 0.000 2.141 1042 L HA 0.056 4.355 4.340 -0.068 0.000 0.209 1042 L C 2.748 179.558 176.870 -0.100 0.000 1.094 1042 L CA 0.483 55.237 54.840 -0.144 0.000 0.763 1042 L CB -0.250 41.732 42.059 -0.128 0.000 0.908 1042 L HN 0.199 nan 8.230 nan 0.000 0.437 1043 I N -0.721 119.817 120.570 -0.053 0.000 2.252 1043 I HA -0.246 3.883 4.170 -0.068 0.000 0.245 1043 I C 2.479 178.583 176.117 -0.022 0.000 1.102 1043 I CA 1.328 62.611 61.300 -0.028 0.000 1.385 1043 I CB -0.479 37.514 38.000 -0.011 0.000 1.064 1043 I HN 0.220 nan 8.210 nan 0.000 0.414 1044 T N 1.442 115.982 114.554 -0.022 0.000 2.652 1044 T HA -0.207 4.102 4.350 -0.068 0.000 0.267 1044 T C 1.884 176.590 174.700 0.009 0.000 1.039 1044 T CA 1.485 63.583 62.100 -0.003 0.000 1.153 1044 T CB -0.442 68.424 68.868 -0.002 0.000 0.863 1044 T HN 0.179 nan 8.240 nan 0.000 0.428 1045 L N 1.664 122.881 121.223 -0.009 0.000 1.990 1045 L HA -0.121 4.178 4.340 -0.068 0.000 0.213 1045 L C 2.509 179.398 176.870 0.031 0.000 1.072 1045 L CA 1.980 56.827 54.840 0.013 0.000 0.755 1045 L CB -0.710 41.326 42.059 -0.038 0.000 0.889 1045 L HN 0.119 nan 8.230 nan 0.000 0.432 1046 R N -0.664 119.804 120.500 -0.052 0.000 2.083 1046 R HA -0.171 4.128 4.340 -0.068 0.000 0.237 1046 R C 2.345 178.708 176.300 0.105 0.000 1.137 1046 R CA 1.926 58.028 56.100 0.004 0.000 0.951 1046 R CB -0.205 30.055 30.300 -0.066 0.000 0.851 1046 R HN 0.406 nan 8.270 nan 0.000 0.434 1047 R N -0.100 120.438 120.500 0.063 0.000 2.276 1047 R HA -0.005 4.295 4.340 -0.068 0.000 0.203 1047 R C 2.200 178.538 176.300 0.063 0.000 1.017 1047 R CA 1.063 57.205 56.100 0.069 0.000 1.010 1047 R CB 0.105 30.439 30.300 0.057 0.000 0.900 1047 R HN 0.342 nan 8.270 nan 0.000 0.469 1048 S N -0.636 115.101 115.700 0.062 0.000 2.489 1048 S HA -0.039 4.390 4.470 -0.068 0.000 0.228 1048 S C 0.853 175.478 174.600 0.042 0.000 0.995 1048 S CA 0.513 58.748 58.200 0.059 0.000 0.934 1048 S CB 0.331 63.576 63.200 0.075 0.000 0.771 1048 S HN 0.142 nan 8.310 nan 0.000 0.522 1049 T N 1.324 115.885 114.554 0.012 0.000 3.041 1049 T HA 0.348 4.657 4.350 -0.068 0.000 0.321 1049 T C -0.811 173.847 174.700 -0.070 0.000 1.184 1049 T CA -0.218 61.844 62.100 -0.063 0.000 1.050 1049 T CB 1.622 70.328 68.868 -0.270 0.000 1.159 1049 T HN 0.190 nan 8.240 nan 0.000 0.469 1050 D N 3.082 123.448 120.400 -0.056 0.000 2.378 1050 D HA 0.154 4.753 4.640 -0.068 0.000 0.227 1050 D C 1.858 178.091 176.300 -0.112 0.000 1.012 1050 D CA 0.765 54.736 54.000 -0.048 0.000 0.905 1050 D CB -0.141 40.644 40.800 -0.025 0.000 0.895 1050 D HN 0.565 nan 8.370 nan 0.000 0.532 1051 A N 0.125 122.791 122.820 -0.256 0.000 1.978 1051 A HA -0.111 4.168 4.320 -0.068 0.000 0.220 1051 A C 1.317 178.641 177.584 -0.433 0.000 1.170 1051 A CA 0.894 52.689 52.037 -0.404 0.000 0.636 1051 A CB -0.834 17.766 19.000 -0.667 0.000 0.810 1051 A HN 0.322 nan 8.150 nan 0.000 0.448 1052 F N -1.408 118.501 119.950 -0.068 0.000 2.695 1052 F HA 0.306 4.793 4.527 -0.066 0.000 0.303 1052 F C 1.011 176.795 175.800 -0.025 0.000 1.091 1052 F CA 0.181 58.159 58.000 -0.037 0.000 1.300 1052 F CB 0.315 39.285 39.000 -0.050 0.000 1.071 1052 F HN 0.008 nan 8.300 nan 0.000 0.578 1053 R N 0.046 120.596 120.500 0.084 0.000 2.647 1053 R HA 0.187 4.486 4.340 -0.068 0.000 0.295 1053 R C -0.302 175.998 176.300 0.001 0.000 1.267 1053 R CA -0.313 55.817 56.100 0.050 0.000 1.386 1053 R CB 0.598 30.932 30.300 0.056 0.000 1.309 1053 R HN -0.005 nan 8.270 nan 0.000 0.692 1054 K N 0.330 120.724 120.400 -0.010 0.000 2.219 1054 K HA 0.128 4.407 4.320 -0.068 0.000 0.258 1054 K C 0.633 177.212 176.600 -0.035 0.000 1.008 1054 K CA -0.285 55.986 56.287 -0.028 0.000 0.928 1054 K CB 0.803 33.284 32.500 -0.031 0.000 0.983 1054 K HN -0.017 nan 8.250 nan 0.000 0.484 1055 L N 0.460 121.658 121.223 -0.040 0.000 2.202 1055 L HA -0.017 4.282 4.340 -0.068 0.000 0.205 1055 L C 0.937 177.777 176.870 -0.050 0.000 1.083 1055 L CA 0.836 55.647 54.840 -0.049 0.000 0.790 1055 L CB -0.251 41.779 42.059 -0.048 0.000 0.942 1055 L HN 0.656 nan 8.230 nan 0.000 0.452 1056 S N -1.722 113.950 115.700 -0.046 0.000 2.566 1056 S HA 0.343 4.772 4.470 -0.068 0.000 0.298 1056 S C 0.689 175.259 174.600 -0.050 0.000 1.083 1056 S CA -0.773 57.399 58.200 -0.047 0.000 0.978 1056 S CB 2.055 65.231 63.200 -0.040 0.000 1.073 1056 S HN 0.134 nan 8.310 nan 0.000 0.491 1057 K N 1.114 121.481 120.400 -0.055 0.000 2.097 1057 K HA -0.076 4.203 4.320 -0.068 0.000 0.206 1057 K C 2.089 178.660 176.600 -0.049 0.000 1.049 1057 K CA 1.448 57.698 56.287 -0.061 0.000 0.933 1057 K CB -0.848 31.614 32.500 -0.064 0.000 0.717 1057 K HN 0.759 nan 8.250 nan 0.000 0.442 1058 A N 2.128 124.925 122.820 -0.038 0.000 1.892 1058 A HA -0.261 4.018 4.320 -0.068 0.000 0.218 1058 A C 1.984 179.555 177.584 -0.022 0.000 1.188 1058 A CA 2.097 54.117 52.037 -0.027 0.000 0.631 1058 A CB -0.718 18.267 19.000 -0.024 0.000 0.822 1058 A HN 0.738 nan 8.150 nan 0.000 0.447 1059 E N -0.502 119.684 120.200 -0.024 0.000 2.216 1059 E HA -0.041 4.268 4.350 -0.068 0.000 0.192 1059 E C 1.866 178.457 176.600 -0.016 0.000 0.988 1059 E CA 0.817 57.206 56.400 -0.017 0.000 0.834 1059 E CB -0.377 29.312 29.700 -0.018 0.000 0.772 1059 E HN 0.618 nan 8.360 nan 0.000 0.479 1060 I N 2.241 122.792 120.570 -0.031 0.000 2.179 1060 I HA -0.243 3.886 4.170 -0.068 0.000 0.242 1060 I C 1.790 177.889 176.117 -0.029 0.000 1.088 1060 I CA 1.469 62.745 61.300 -0.041 0.000 1.357 1060 I CB -0.222 37.732 38.000 -0.077 0.000 1.051 1060 I HN 0.050 nan 8.210 nan 0.000 0.409 1061 D N 0.546 120.929 120.400 -0.029 0.000 2.218 1061 D HA -0.134 4.465 4.640 -0.068 0.000 0.204 1061 D C 2.290 178.612 176.300 0.038 0.000 0.976 1061 D CA 1.107 55.106 54.000 -0.000 0.000 0.853 1061 D CB -0.124 40.671 40.800 -0.008 0.000 0.939 1061 D HN 0.324 nan 8.370 nan 0.000 0.481 1062 R N 0.041 120.556 120.500 0.025 0.000 2.210 1062 R HA 0.096 4.395 4.340 -0.068 0.000 0.203 1062 R C 1.433 177.760 176.300 0.046 0.000 1.010 1062 R CA 0.608 56.727 56.100 0.032 0.000 1.008 1062 R CB 0.339 30.647 30.300 0.014 0.000 0.923 1062 R HN 0.177 nan 8.270 nan 0.000 0.469 1063 E N -0.614 119.614 120.200 0.048 0.000 2.514 1063 E HA 0.114 4.424 4.350 -0.068 0.000 0.215 1063 E C -0.704 175.951 176.600 0.093 0.000 0.946 1063 E CA -0.043 56.391 56.400 0.057 0.000 1.038 1063 E CB 1.511 31.228 29.700 0.028 0.000 1.069 1063 E HN -0.091 nan 8.360 nan 0.000 0.503 1064 V N 2.223 122.203 119.914 0.110 0.000 2.384 1064 V HA 0.341 4.420 4.120 -0.068 0.000 0.287 1064 V C -0.200 176.097 176.094 0.338 0.000 1.020 1064 V CA -0.670 61.739 62.300 0.182 0.000 0.850 1064 V CB 1.308 33.184 31.823 0.088 0.000 0.987 1064 V HN 0.143 nan 8.190 nan 0.000 0.436 1065 S N 4.791 120.717 115.700 0.376 0.000 2.599 1065 S HA 0.809 5.238 4.470 -0.068 0.000 0.294 1065 S C -1.004 173.622 174.600 0.043 0.000 1.094 1065 S CA -0.847 57.543 58.200 0.317 0.000 0.931 1065 S CB 2.147 65.509 63.200 0.270 0.000 1.093 1065 S HN 0.522 nan 8.310 nan 0.000 0.488 1066 L N 2.484 123.447 121.223 -0.434 0.000 2.255 1066 L HA 0.529 4.828 4.340 -0.068 0.000 0.289 1066 L C 0.484 177.158 176.870 -0.326 0.000 1.046 1066 L CA -0.428 53.959 54.840 -0.754 0.000 0.816 1066 L CB -0.221 41.087 42.059 -1.252 0.000 1.197 1066 L HN 0.903 nan 8.230 nan 0.000 0.427 1067 I N 1.923 122.268 120.570 -0.376 0.000 2.233 1067 I HA -0.109 4.020 4.170 -0.068 0.000 0.243 1067 I C 1.011 177.019 176.117 -0.180 0.000 1.093 1067 I CA 1.137 62.161 61.300 -0.460 0.000 1.380 1067 I CB -0.279 37.303 38.000 -0.696 0.000 1.067 1067 I HN 0.755 nan 8.210 nan 0.000 0.413 1068 T N 0.403 114.868 114.554 -0.148 0.000 4.104 1068 T HA 0.225 4.534 4.350 -0.068 0.000 0.285 1068 T C 0.096 174.754 174.700 -0.069 0.000 1.346 1068 T CA -0.408 61.657 62.100 -0.058 0.000 1.158 1068 T CB -0.729 68.138 68.868 -0.003 0.000 1.290 1068 T HN 0.179 nan 8.240 nan 0.000 0.975 1069 E N 1.188 121.353 120.200 -0.058 0.000 2.373 1069 E HA 0.248 4.558 4.350 -0.068 0.000 0.263 1069 E C 0.013 176.605 176.600 -0.013 0.000 1.073 1069 E CA -0.816 55.554 56.400 -0.049 0.000 0.894 1069 E CB 1.087 30.770 29.700 -0.028 0.000 1.008 1069 E HN 0.311 nan 8.360 nan 0.000 0.420 1070 V N 2.207 122.117 119.914 -0.008 0.000 2.493 1070 V HA 0.128 4.207 4.120 -0.068 0.000 0.292 1070 V C 1.325 177.425 176.094 0.009 0.000 1.016 1070 V CA 1.665 63.969 62.300 0.007 0.000 1.097 1070 V CB 0.084 31.913 31.823 0.010 0.000 0.947 1070 V HN 1.082 nan 8.190 nan 0.000 0.479 1071 G N 3.517 112.325 108.800 0.013 0.000 2.194 1071 G HA2 -0.177 3.742 3.960 -0.068 0.000 0.236 1071 G HA3 -0.177 3.742 3.960 -0.068 0.000 0.236 1071 G C 0.148 175.057 174.900 0.016 0.000 0.987 1071 G CA -0.368 44.740 45.100 0.013 0.000 0.635 1071 G HN 0.589 nan 8.290 nan 0.000 0.520 1072 Q N 1.126 120.937 119.800 0.019 0.000 2.323 1072 Q HA 0.474 4.773 4.340 -0.068 0.000 0.257 1072 Q C 1.282 177.295 176.000 0.023 0.000 1.022 1072 Q CA 0.909 56.727 55.803 0.025 0.000 0.919 1072 Q CB 0.733 29.490 28.738 0.032 0.000 1.220 1072 Q HN 1.511 nan 8.270 nan 0.000 0.427 1073 G N 4.573 113.385 108.800 0.020 0.000 2.611 1073 G HA2 -0.376 3.543 3.960 -0.068 0.000 0.301 1073 G HA3 -0.376 3.543 3.960 -0.068 0.000 0.301 1073 G C 0.185 175.092 174.900 0.013 0.000 1.233 1073 G CA 0.461 45.570 45.100 0.015 0.000 0.993 1073 G HN 0.756 nan 8.290 nan 0.000 0.553 1074 D N 0.445 120.852 120.400 0.011 0.000 2.358 1074 D HA 0.210 4.809 4.640 -0.068 0.000 0.224 1074 D C 0.991 177.299 176.300 0.013 0.000 1.123 1074 D CA -0.385 53.620 54.000 0.009 0.000 0.833 1074 D CB -0.095 40.708 40.800 0.004 0.000 0.946 1074 D HN 0.434 nan 8.370 nan 0.000 0.505 1075 I N 1.628 122.209 120.570 0.019 0.000 2.598 1075 I HA 0.047 4.177 4.170 -0.068 0.000 0.284 1075 I C 0.856 176.987 176.117 0.023 0.000 1.140 1075 I CA 0.098 61.413 61.300 0.026 0.000 1.420 1075 I CB 0.365 38.382 38.000 0.029 0.000 1.387 1075 I HN -0.105 nan 8.210 nan 0.000 0.553 1076 K N 5.261 125.677 120.400 0.027 0.000 2.211 1076 K HA 0.265 4.544 4.320 -0.068 0.000 0.237 1076 K C 0.909 177.528 176.600 0.031 0.000 1.002 1076 K CA -0.720 55.581 56.287 0.024 0.000 0.885 1076 K CB 1.180 33.691 32.500 0.018 0.000 1.136 1076 K HN 0.449 nan 8.250 nan 0.000 0.448 1077 E N 1.099 121.315 120.200 0.027 0.000 2.051 1077 E HA -0.142 4.168 4.350 -0.068 0.000 0.192 1077 E C -0.446 176.180 176.600 0.043 0.000 0.991 1077 E CA 1.462 57.880 56.400 0.030 0.000 0.799 1077 E CB 0.317 30.030 29.700 0.022 0.000 0.748 1077 E HN 0.244 nan 8.360 nan 0.000 0.449 1078 K N 1.154 121.579 120.400 0.042 0.000 2.240 1078 K HA 0.219 4.498 4.320 -0.068 0.000 0.271 1078 K C -0.913 175.723 176.600 0.060 0.000 1.018 1078 K CA -0.470 55.851 56.287 0.057 0.000 0.874 1078 K CB 1.558 34.082 32.500 0.040 0.000 1.098 1078 K HN 0.012 nan 8.250 nan 0.000 0.458 1079 D N 1.829 122.288 120.400 0.099 0.000 2.677 1079 D HA 0.323 4.922 4.640 -0.068 0.000 0.298 1079 D C -0.229 176.111 176.300 0.067 0.000 1.250 1079 D CA -0.523 53.523 54.000 0.076 0.000 0.888 1079 D CB 1.584 42.433 40.800 0.082 0.000 1.397 1079 D HN 0.282 nan 8.370 nan 0.000 0.461 1080 L N 0.753 121.928 121.223 -0.079 0.000 2.906 1080 L HA 0.327 4.626 4.340 -0.068 0.000 0.255 1080 L C 0.273 176.904 176.870 -0.397 0.000 1.166 1080 L CA -0.099 54.485 54.840 -0.427 0.000 0.977 1080 L CB 1.449 43.308 42.059 -0.334 0.000 1.313 1080 L HN 0.001 nan 8.230 nan 0.000 0.549 1081 V N 0.667 120.577 119.914 -0.006 0.000 2.735 1081 V HA 0.630 4.709 4.120 -0.068 0.000 0.310 1081 V C -1.286 175.005 176.094 0.328 0.000 1.061 1081 V CA -0.510 61.878 62.300 0.147 0.000 0.913 1081 V CB 3.050 34.921 31.823 0.080 0.000 1.005 1081 V HN 0.093 nan 8.190 nan 0.000 0.428 1082 I N 4.856 125.651 120.570 0.376 0.000 2.827 1082 I HA 0.875 5.004 4.170 -0.068 0.000 0.298 1082 I C -0.862 175.354 176.117 0.165 0.000 1.235 1082 I CA -0.425 61.037 61.300 0.270 0.000 1.021 1082 I CB 2.175 40.334 38.000 0.265 0.000 1.259 1082 I HN 0.935 nan 8.210 nan 0.000 0.427 1083 A N 5.588 128.434 122.820 0.042 0.000 2.455 1083 A HA 0.835 5.114 4.320 -0.068 0.000 0.300 1083 A C -1.953 175.502 177.584 -0.215 0.000 1.040 1083 A CA -0.361 51.521 52.037 -0.259 0.000 0.697 1083 A CB 1.321 20.098 19.000 -0.372 0.000 1.265 1083 A HN 0.735 nan 8.150 nan 0.000 0.407 1084 Y N -0.877 119.215 120.300 -0.346 0.000 2.562 1084 Y HA 0.779 5.288 4.550 -0.069 0.000 0.345 1084 Y C -0.617 175.168 175.900 -0.193 0.000 1.045 1084 Y CA -0.922 57.055 58.100 -0.204 0.000 1.028 1084 Y CB 1.447 39.960 38.460 0.088 0.000 1.297 1084 Y HN 0.688 nan 8.280 nan 0.000 0.463 1085 Q N 1.560 121.394 119.800 0.056 0.000 2.337 1085 Q HA 0.617 4.916 4.340 -0.068 0.000 0.266 1085 Q C -1.419 174.702 176.000 0.201 0.000 1.023 1085 Q CA -0.671 55.178 55.803 0.077 0.000 0.829 1085 Q CB 2.420 31.221 28.738 0.106 0.000 1.306 1085 Q HN 0.961 nan 8.270 nan 0.000 0.449 1086 T N 3.076 117.726 114.554 0.161 0.000 2.906 1086 T HA 0.729 5.038 4.350 -0.068 0.000 0.295 1086 T C -1.098 173.650 174.700 0.080 0.000 1.075 1086 T CA -0.521 61.640 62.100 0.101 0.000 1.005 1086 T CB 0.876 69.753 68.868 0.015 0.000 1.136 1086 T HN 0.550 nan 8.240 nan 0.000 0.498 1087 I N 3.304 123.903 120.570 0.049 0.000 2.647 1087 I HA 0.417 4.546 4.170 -0.068 0.000 0.295 1087 I C -0.575 175.553 176.117 0.019 0.000 1.078 1087 I CA -1.120 60.216 61.300 0.060 0.000 1.048 1087 I CB 2.235 40.267 38.000 0.053 0.000 1.239 1087 I HN 0.703 nan 8.210 nan 0.000 0.421 1088 D N 2.518 122.944 120.400 0.044 0.000 2.478 1088 D HA 0.170 4.769 4.640 -0.068 0.000 0.263 1088 D C 1.020 177.330 176.300 0.016 0.000 1.153 1088 D CA -0.588 53.417 54.000 0.009 0.000 1.038 1088 D CB 0.935 41.747 40.800 0.021 0.000 1.120 1088 D HN 0.521 nan 8.370 nan 0.000 0.564 1089 S N -0.500 115.204 115.700 0.006 0.000 2.442 1089 S HA -0.194 4.235 4.470 -0.068 0.000 0.236 1089 S C 1.282 175.890 174.600 0.013 0.000 1.007 1089 S CA 0.786 58.990 58.200 0.006 0.000 0.965 1089 S CB -0.510 62.690 63.200 0.000 0.000 0.773 1089 S HN 0.556 nan 8.310 nan 0.000 0.504 1090 K N 0.871 121.286 120.400 0.025 0.000 2.361 1090 K HA 0.263 4.542 4.320 -0.068 0.000 0.196 1090 K C 1.308 177.921 176.600 0.022 0.000 1.039 1090 K CA 0.348 56.650 56.287 0.025 0.000 1.001 1090 K CB -0.425 32.097 32.500 0.037 0.000 0.795 1090 K HN 0.480 nan 8.250 nan 0.000 0.495 1091 G N 3.315 112.132 108.800 0.028 0.000 2.249 1091 G HA2 -0.240 3.679 3.960 -0.068 0.000 0.273 1091 G HA3 -0.240 3.679 3.960 -0.068 0.000 0.273 1091 G C -0.898 174.008 174.900 0.010 0.000 1.036 1091 G CA 0.233 45.345 45.100 0.020 0.000 0.824 1091 G HN 0.322 nan 8.290 nan 0.000 0.504 1092 D N -0.582 119.827 120.400 0.014 0.000 3.450 1092 D HA -0.012 4.587 4.640 -0.068 0.000 0.202 1092 D C 1.039 177.338 176.300 -0.003 0.000 1.070 1092 D CA 1.027 55.020 54.000 -0.011 0.000 0.743 1092 D CB 0.298 41.121 40.800 0.039 0.000 1.157 1092 D HN 0.518 nan 8.370 nan 0.000 0.557 1093 I N 2.317 122.826 120.570 -0.102 0.000 2.441 1093 I HA 0.291 4.420 4.170 -0.068 0.000 0.295 1093 I C -0.498 175.495 176.117 -0.207 0.000 0.994 1093 I CA -0.861 60.424 61.300 -0.024 0.000 1.144 1093 I CB 1.040 39.094 38.000 0.089 0.000 1.314 1093 I HN 0.207 nan 8.210 nan 0.000 0.445 1094 Y N 4.333 124.639 120.300 0.010 0.000 2.361 1094 Y HA 0.687 5.197 4.550 -0.067 0.000 0.337 1094 Y C 0.063 175.973 175.900 0.016 0.000 0.965 1094 Y CA -0.846 57.266 58.100 0.021 0.000 1.091 1094 Y CB 2.090 40.514 38.460 -0.060 0.000 1.182 1094 Y HN 0.554 nan 8.280 nan 0.000 0.450 1095 A N 3.094 125.989 122.820 0.125 0.000 2.318 1095 A HA 0.797 5.076 4.320 -0.068 0.000 0.317 1095 A C -1.385 176.068 177.584 -0.219 0.000 1.159 1095 A CA -0.699 51.268 52.037 -0.117 0.000 0.799 1095 A CB 0.729 19.639 19.000 -0.151 0.000 1.194 1095 A HN 0.506 nan 8.150 nan 0.000 0.479 1096 V N 2.608 122.192 119.914 -0.550 0.000 2.398 1096 V HA 0.523 4.603 4.120 -0.068 0.000 0.286 1096 V C -0.999 174.614 176.094 -0.803 0.000 1.026 1096 V CA -0.202 61.769 62.300 -0.549 0.000 0.868 1096 V CB 0.694 32.092 31.823 -0.708 0.000 0.982 1096 V HN 0.698 nan 8.190 nan 0.000 0.443 1097 F N 3.313 123.153 119.950 -0.184 0.000 2.467 1097 F HA 0.663 5.149 4.527 -0.069 0.000 0.336 1097 F C -0.088 175.704 175.800 -0.014 0.000 1.123 1097 F CA -0.906 57.030 58.000 -0.106 0.000 0.964 1097 F CB 2.101 41.049 39.000 -0.086 0.000 1.136 1097 F HN 0.160 nan 8.300 nan 0.000 0.447 1098 V N 3.018 123.054 119.914 0.203 0.000 2.357 1098 V HA 0.264 4.343 4.120 -0.068 0.000 0.281 1098 V C -0.613 175.608 176.094 0.213 0.000 1.015 1098 V CA -0.821 61.616 62.300 0.229 0.000 0.827 1098 V CB 1.355 33.366 31.823 0.314 0.000 1.018 1098 V HN 0.650 nan 8.190 nan 0.000 0.432 1099 N N 3.896 122.674 118.700 0.131 0.000 2.521 1099 N HA 0.359 5.058 4.740 -0.068 0.000 0.236 1099 N C 0.686 176.192 175.510 -0.007 0.000 1.067 1099 N CA 0.045 53.128 53.050 0.055 0.000 0.939 1099 N CB 1.698 40.207 38.487 0.036 0.000 1.201 1099 N HN 0.718 nan 8.380 nan 0.000 0.511 1100 A N 2.489 125.242 122.820 -0.112 0.000 2.307 1100 A HA 0.074 4.353 4.320 -0.068 0.000 0.218 1100 A C 0.670 178.133 177.584 -0.201 0.000 1.228 1100 A CA -0.214 51.701 52.037 -0.204 0.000 0.857 1100 A CB -0.144 18.573 19.000 -0.471 0.000 0.897 1100 A HN 0.590 nan 8.150 nan 0.000 0.495 1101 D N -0.046 120.267 120.400 -0.146 0.000 2.344 1101 D HA 0.217 4.816 4.640 -0.068 0.000 0.244 1101 D C 1.300 177.557 176.300 -0.072 0.000 1.134 1101 D CA 0.629 54.562 54.000 -0.110 0.000 0.930 1101 D CB 1.242 41.995 40.800 -0.079 0.000 1.175 1101 D HN 0.164 nan 8.370 nan 0.000 0.437 1102 S N 0.605 116.268 115.700 -0.062 0.000 2.631 1102 S HA 0.070 4.499 4.470 -0.068 0.000 0.217 1102 S C 0.483 175.064 174.600 -0.032 0.000 0.958 1102 S CA -0.129 58.044 58.200 -0.045 0.000 0.920 1102 S CB -0.311 62.862 63.200 -0.044 0.000 0.776 1102 S HN 0.495 nan 8.310 nan 0.000 0.517 1103 K N -0.048 120.334 120.400 -0.031 0.000 2.443 1103 K HA 0.825 5.104 4.320 -0.068 0.000 0.251 1103 K C -0.573 176.017 176.600 -0.017 0.000 0.972 1103 K CA -1.044 55.230 56.287 -0.022 0.000 0.833 1103 K CB 1.493 33.980 32.500 -0.022 0.000 1.317 1103 K HN -0.020 nan 8.250 nan 0.000 0.441 1104 A N 1.762 124.575 122.820 -0.011 0.000 2.483 1104 A HA 0.287 4.566 4.320 -0.068 0.000 0.238 1104 A C -0.470 177.108 177.584 -0.011 0.000 1.070 1104 A CA -0.186 51.848 52.037 -0.006 0.000 0.770 1104 A CB 0.030 19.029 19.000 -0.002 0.000 1.008 1104 A HN 0.606 nan 8.150 nan 0.000 0.497 1105 R N 1.833 122.328 120.500 -0.009 0.000 2.574 1105 R HA 0.275 4.575 4.340 -0.068 0.000 0.288 1105 R C -0.983 175.307 176.300 -0.017 0.000 1.004 1105 R CA -0.710 55.384 56.100 -0.009 0.000 0.895 1105 R CB 1.443 31.743 30.300 -0.001 0.000 1.191 1105 R HN 0.881 nan 8.270 nan 0.000 0.444 1106 N N 2.553 121.241 118.700 -0.019 0.000 2.422 1106 N HA 0.114 4.813 4.740 -0.068 0.000 0.264 1106 N C -0.959 174.539 175.510 -0.021 0.000 1.063 1106 N CA -0.061 52.970 53.050 -0.031 0.000 0.959 1106 N CB 1.148 39.619 38.487 -0.026 0.000 1.087 1106 N HN 0.188 nan 8.380 nan 0.000 0.483 1107 V N 4.881 124.772 119.914 -0.038 0.000 2.364 1107 V HA 0.203 4.282 4.120 -0.068 0.000 0.272 1107 V C 0.453 176.544 176.094 -0.004 0.000 1.036 1107 V CA -0.888 61.414 62.300 0.003 0.000 0.880 1107 V CB 1.019 32.876 31.823 0.055 0.000 0.991 1107 V HN 0.533 nan 8.190 nan 0.000 0.460 1108 L N 5.828 127.063 121.223 0.021 0.000 2.367 1108 L HA 0.311 4.610 4.340 -0.068 0.000 0.275 1108 L C 0.625 177.534 176.870 0.066 0.000 1.129 1108 L CA 0.750 55.608 54.840 0.030 0.000 0.839 1108 L CB 0.603 42.682 42.059 0.035 0.000 1.133 1108 L HN 0.581 nan 8.230 nan 0.000 0.453 1109 L N 4.005 125.273 121.223 0.074 0.000 2.445 1109 L HA 0.426 4.725 4.340 -0.068 0.000 0.207 1109 L C 1.358 178.330 176.870 0.170 0.000 1.053 1109 L CA 0.396 55.326 54.840 0.149 0.000 0.841 1109 L CB -0.778 41.346 42.059 0.108 0.000 1.074 1109 L HN 0.945 nan 8.230 nan 0.000 0.479 1110 G N 0.643 109.500 108.800 0.096 0.000 2.697 1110 G HA2 -0.276 3.643 3.960 -0.068 0.000 0.240 1110 G HA3 -0.276 3.643 3.960 -0.068 0.000 0.240 1110 G C 0.478 175.418 174.900 0.066 0.000 1.346 1110 G CA 0.097 45.240 45.100 0.072 0.000 0.887 1110 G HN 0.204 nan 8.290 nan 0.000 0.569 1111 E N -0.061 120.163 120.200 0.040 0.000 2.204 1111 E HA -0.102 4.207 4.350 -0.068 0.000 0.194 1111 E C 2.387 178.992 176.600 0.008 0.000 0.989 1111 E CA 1.403 57.819 56.400 0.027 0.000 0.824 1111 E CB -0.125 29.582 29.700 0.011 0.000 0.756 1111 E HN 0.585 nan 8.360 nan 0.000 0.477 1112 K N -0.320 120.056 120.400 -0.039 0.000 2.057 1112 K HA -0.123 4.156 4.320 -0.068 0.000 0.206 1112 K C 0.806 177.241 176.600 -0.276 0.000 1.050 1112 K CA 1.061 57.221 56.287 -0.210 0.000 0.935 1112 K CB 0.080 32.378 32.500 -0.336 0.000 0.715 1112 K HN 0.064 nan 8.250 nan 0.000 0.439 1113 Y N 0.529 120.892 120.300 0.104 0.000 2.660 1113 Y HA 0.165 4.675 4.550 -0.067 0.000 0.254 1113 Y C 1.119 176.950 175.900 -0.115 0.000 1.176 1113 Y CA -0.474 57.637 58.100 0.017 0.000 1.195 1113 Y CB 0.551 39.007 38.460 -0.008 0.000 1.190 1113 Y HN 0.061 nan 8.280 nan 0.000 0.535 1114 K N -0.066 120.401 120.400 0.111 0.000 2.209 1114 K HA -0.251 4.029 4.320 -0.068 0.000 0.204 1114 K C 1.361 177.995 176.600 0.056 0.000 1.048 1114 K CA 2.220 58.551 56.287 0.072 0.000 0.940 1114 K CB -0.779 31.771 32.500 0.084 0.000 0.729 1114 K HN 0.581 nan 8.250 nan 0.000 0.451 1115 H N 0.668 119.793 119.070 0.092 0.000 2.489 1115 H HA -0.015 4.500 4.556 -0.068 0.000 0.295 1115 H C 1.751 177.148 175.328 0.114 0.000 1.082 1115 H CA 1.224 57.323 56.048 0.084 0.000 1.295 1115 H CB -0.408 29.390 29.762 0.059 0.000 1.380 1115 H HN 0.130 nan 8.280 nan 0.000 0.548 1116 L N 0.245 121.248 121.223 -0.367 0.000 2.275 1116 L HA -0.069 4.231 4.340 -0.068 0.000 0.215 1116 L C 2.001 178.922 176.870 0.085 0.000 1.119 1116 L CA 0.567 55.328 54.840 -0.131 0.000 0.790 1116 L CB -0.265 41.727 42.059 -0.112 0.000 0.919 1116 L HN 0.350 nan 8.230 nan 0.000 0.443 1117 L N -0.337 120.951 121.223 0.109 0.000 2.362 1117 L HA -0.135 4.164 4.340 -0.068 0.000 0.219 1117 L C 2.096 179.135 176.870 0.281 0.000 1.134 1117 L CA 0.751 55.767 54.840 0.295 0.000 0.807 1117 L CB -0.338 41.848 42.059 0.213 0.000 0.927 1117 L HN 0.180 nan 8.230 nan 0.000 0.447 1118 K N 0.329 120.824 120.400 0.158 0.000 2.404 1118 K HA 0.197 4.476 4.320 -0.068 0.000 0.194 1118 K C 0.943 177.586 176.600 0.073 0.000 1.023 1118 K CA 0.158 56.500 56.287 0.091 0.000 1.094 1118 K CB 0.210 32.759 32.500 0.081 0.000 0.841 1118 K HN 0.214 nan 8.250 nan 0.000 0.523 1119 G N 0.826 109.697 108.800 0.119 0.000 2.588 1119 G HA2 0.228 4.147 3.960 -0.068 0.000 0.281 1119 G HA3 0.228 4.147 3.960 -0.068 0.000 0.281 1119 G C -0.685 174.255 174.900 0.066 0.000 1.236 1119 G CA -0.431 44.722 45.100 0.088 0.000 0.969 1119 G HN 0.093 nan 8.290 nan 0.000 0.504 1120 Q N -1.074 118.755 119.800 0.048 0.000 2.282 1120 Q HA 0.444 4.743 4.340 -0.068 0.000 0.260 1120 Q C -0.712 175.341 176.000 0.087 0.000 0.964 1120 Q CA -0.727 55.096 55.803 0.034 0.000 0.880 1120 Q CB 2.642 31.389 28.738 0.015 0.000 1.286 1120 Q HN 0.240 nan 8.270 nan 0.000 0.445 1121 V N 4.580 124.549 119.914 0.092 0.000 2.427 1121 V HA 0.066 4.145 4.120 -0.068 0.000 0.268 1121 V C 0.929 177.081 176.094 0.095 0.000 1.046 1121 V CA 0.271 62.646 62.300 0.126 0.000 0.970 1121 V CB 0.030 31.933 31.823 0.133 0.000 1.001 1121 V HN 0.784 nan 8.190 nan 0.000 0.476 1122 I N 2.768 123.406 120.570 0.114 0.000 4.035 1122 I HA 0.377 4.507 4.170 -0.068 0.000 0.321 1122 I C 0.123 176.285 176.117 0.075 0.000 1.289 1122 I CA 0.308 61.668 61.300 0.099 0.000 1.236 1122 I CB 0.811 38.891 38.000 0.132 0.000 1.076 1122 I HN 0.323 nan 8.210 nan 0.000 0.418 1123 V N 3.678 123.645 119.914 0.089 0.000 2.588 1123 V HA 0.448 4.527 4.120 -0.068 0.000 0.304 1123 V C -1.020 175.146 176.094 0.121 0.000 1.042 1123 V CA -0.512 61.824 62.300 0.059 0.000 0.877 1123 V CB 1.705 33.541 31.823 0.021 0.000 0.996 1123 V HN 0.460 nan 8.190 nan 0.000 0.425 1124 D N 4.154 124.648 120.400 0.157 0.000 2.846 1124 D HA 0.550 5.149 4.640 -0.068 0.000 0.273 1124 D C 1.008 177.455 176.300 0.244 0.000 1.145 1124 D CA 0.068 54.167 54.000 0.165 0.000 1.091 1124 D CB 1.476 42.341 40.800 0.108 0.000 1.364 1124 D HN 0.437 nan 8.370 nan 0.000 0.613 1125 A N -0.640 122.270 122.820 0.149 0.000 2.015 1125 A HA -0.070 4.210 4.320 -0.068 0.000 0.219 1125 A C 1.287 178.920 177.584 0.082 0.000 1.163 1125 A CA 1.641 53.735 52.037 0.096 0.000 0.646 1125 A CB -0.499 18.527 19.000 0.043 0.000 0.806 1125 A HN 0.489 nan 8.150 nan 0.000 0.448 1126 D N -1.307 119.187 120.400 0.157 0.000 2.379 1126 D HA 0.081 4.681 4.640 -0.068 0.000 0.218 1126 D C 0.877 177.355 176.300 0.296 0.000 1.006 1126 D CA 0.772 54.861 54.000 0.149 0.000 0.893 1126 D CB 0.208 41.068 40.800 0.100 0.000 1.019 1126 D HN 0.814 nan 8.370 nan 0.000 0.503 1127 Q N -0.309 119.705 119.800 0.357 0.000 2.462 1127 Q HA 0.731 5.030 4.340 -0.068 0.000 0.285 1127 Q C -1.699 174.326 176.000 0.042 0.000 1.035 1127 Q CA -1.197 54.758 55.803 0.253 0.000 0.799 1127 Q CB 2.750 31.566 28.738 0.130 0.000 1.452 1127 Q HN -0.101 nan 8.270 nan 0.000 0.404 1128 A N 0.198 122.916 122.820 -0.170 0.000 2.475 1128 A HA 1.022 5.301 4.320 -0.068 0.000 0.301 1128 A C -0.328 177.178 177.584 -0.130 0.000 1.059 1128 A CA -0.022 51.833 52.037 -0.303 0.000 0.710 1128 A CB 1.914 20.478 19.000 -0.726 0.000 1.288 1128 A HN 1.280 nan 8.150 nan 0.000 0.408 1129 G N -0.628 108.129 108.800 -0.073 0.000 2.360 1129 G HA2 0.440 4.360 3.960 -0.068 0.000 0.276 1129 G HA3 0.440 4.360 3.960 -0.068 0.000 0.276 1129 G C 0.015 174.937 174.900 0.037 0.000 1.256 1129 G CA 0.084 45.175 45.100 -0.015 0.000 0.890 1129 G HN 1.617 nan 8.290 nan 0.000 0.486 1130 I N -1.929 118.676 120.570 0.059 0.000 4.082 1130 I HA 0.510 4.639 4.170 -0.068 0.000 0.337 1130 I C 0.292 176.462 176.117 0.089 0.000 1.352 1130 I CA -0.244 61.117 61.300 0.102 0.000 1.097 1130 I CB 0.320 38.383 38.000 0.106 0.000 1.048 1130 I HN 0.045 nan 8.210 nan 0.000 0.393 1131 K N 2.687 123.124 120.400 0.062 0.000 2.118 1131 K HA 0.480 4.759 4.320 -0.068 0.000 0.267 1131 K C -2.480 174.149 176.600 0.048 0.000 0.991 1131 K CA -1.819 54.498 56.287 0.050 0.000 0.916 1131 K CB 0.494 33.017 32.500 0.038 0.000 1.041 1131 K HN -0.093 nan 8.250 nan 0.000 0.455 1132 P HA 0.046 nan 4.420 nan 0.000 0.267 1132 P C -0.685 176.630 177.300 0.024 0.000 1.205 1132 P CA 0.181 63.299 63.100 0.029 0.000 0.765 1132 P CB 0.324 32.032 31.700 0.014 0.000 0.828 1133 I N 2.179 122.765 120.570 0.026 0.000 2.312 1133 I HA 0.027 4.156 4.170 -0.068 0.000 0.291 1133 I C 1.680 177.797 176.117 0.001 0.000 1.031 1133 I CA 0.067 61.380 61.300 0.022 0.000 1.293 1133 I CB 1.017 39.039 38.000 0.037 0.000 1.403 1133 I HN 0.387 nan 8.210 nan 0.000 0.484 1134 S N 2.688 118.386 115.700 -0.004 0.000 2.368 1134 S HA -0.129 4.300 4.470 -0.068 0.000 0.224 1134 S C 1.177 175.759 174.600 -0.031 0.000 1.029 1134 S CA 0.879 59.067 58.200 -0.020 0.000 0.988 1134 S CB -0.088 63.105 63.200 -0.012 0.000 0.838 1134 S HN 0.674 nan 8.310 nan 0.000 0.462 1135 T N 3.757 118.300 114.554 -0.019 0.000 3.241 1135 T HA 0.528 4.838 4.350 -0.068 0.000 0.387 1135 T C -3.092 171.598 174.700 -0.017 0.000 1.451 1135 T CA -2.129 59.956 62.100 -0.025 0.000 1.363 1135 T CB 0.378 69.237 68.868 -0.014 0.000 1.074 1135 T HN 0.109 nan 8.240 nan 0.000 0.598 1136 P HA 0.342 nan 4.420 nan 0.000 0.271 1136 P C -0.325 176.959 177.300 -0.028 0.000 1.216 1136 P CA -0.494 62.605 63.100 -0.002 0.000 0.776 1136 P CB 0.512 32.226 31.700 0.024 0.000 0.881 1137 R N 1.703 122.201 120.500 -0.003 0.000 2.407 1137 R HA 0.521 4.821 4.340 -0.068 0.000 0.303 1137 R C 1.138 177.430 176.300 -0.013 0.000 0.981 1137 R CA 0.025 56.115 56.100 -0.016 0.000 0.905 1137 R CB 1.012 31.322 30.300 0.016 0.000 1.099 1137 R HN 0.849 nan 8.270 nan 0.000 0.459 1138 G N 0.390 109.167 108.800 -0.038 0.000 2.175 1138 G HA2 -0.247 3.673 3.960 -0.068 0.000 0.244 1138 G HA3 -0.247 3.673 3.960 -0.068 0.000 0.244 1138 G C -0.396 174.484 174.900 -0.032 0.000 0.982 1138 G CA 0.151 45.247 45.100 -0.007 0.000 0.641 1138 G HN 0.535 nan 8.290 nan 0.000 0.527 1139 V N 1.444 121.283 119.914 -0.127 0.000 2.888 1139 V HA 0.795 4.874 4.120 -0.068 0.000 0.309 1139 V C -1.119 174.814 176.094 -0.268 0.000 1.114 1139 V CA -0.948 61.276 62.300 -0.126 0.000 0.940 1139 V CB 2.004 33.773 31.823 -0.090 0.000 1.021 1139 V HN 0.339 nan 8.190 nan 0.000 0.426 1140 H N 5.365 124.442 119.070 0.013 0.000 2.667 1140 H HA 0.418 4.933 4.556 -0.068 0.000 0.353 1140 H C -1.307 174.059 175.328 0.063 0.000 1.072 1140 H CA -0.282 55.824 56.048 0.096 0.000 1.214 1140 H CB 1.864 31.651 29.762 0.041 0.000 1.600 1140 H HN 0.588 nan 8.280 nan 0.000 0.527 1141 F N 2.552 122.521 119.950 0.032 0.000 2.420 1141 F HA 0.131 4.617 4.527 -0.068 0.000 0.352 1141 F C 1.009 176.816 175.800 0.012 0.000 1.108 1141 F CA -0.287 57.707 58.000 -0.009 0.000 1.162 1141 F CB 1.002 39.988 39.000 -0.023 0.000 1.118 1141 F HN 0.433 nan 8.300 nan 0.000 0.510 1142 E N 1.772 122.022 120.200 0.082 0.000 2.568 1142 E HA 0.206 4.515 4.350 -0.068 0.000 0.242 1142 E C 0.896 177.531 176.600 0.058 0.000 0.945 1142 E CA -0.656 55.779 56.400 0.058 0.000 0.918 1142 E CB 0.474 30.179 29.700 0.009 0.000 1.386 1142 E HN 0.256 nan 8.360 nan 0.000 0.426 1143 K N 0.985 121.408 120.400 0.038 0.000 2.002 1143 K HA -0.139 4.140 4.320 -0.068 0.000 0.209 1143 K C 0.541 177.162 176.600 0.036 0.000 1.048 1143 K CA 2.215 58.525 56.287 0.039 0.000 0.930 1143 K CB -0.117 32.400 32.500 0.028 0.000 0.714 1143 K HN 0.473 nan 8.250 nan 0.000 0.438 1144 D N -0.933 119.479 120.400 0.020 0.000 2.865 1144 D HA 0.156 4.755 4.640 -0.068 0.000 0.347 1144 D C -0.909 175.391 176.300 -0.001 0.000 1.498 1144 D CA -0.351 53.661 54.000 0.020 0.000 0.787 1144 D CB -0.294 40.525 40.800 0.030 0.000 1.190 1144 D HN 0.132 nan 8.370 nan 0.000 0.445 1145 S N -1.115 114.562 115.700 -0.037 0.000 2.643 1145 S HA 0.728 5.157 4.470 -0.068 0.000 0.270 1145 S C -1.465 173.028 174.600 -0.180 0.000 1.166 1145 S CA -0.964 57.188 58.200 -0.080 0.000 0.815 1145 S CB 1.635 64.807 63.200 -0.046 0.000 1.139 1145 S HN 0.011 nan 8.310 nan 0.000 0.472 1146 L N 1.244 122.318 121.223 -0.249 0.000 2.362 1146 L HA 0.661 4.960 4.340 -0.068 0.000 0.275 1146 L C -1.084 175.655 176.870 -0.218 0.000 0.998 1146 L CA -0.560 54.054 54.840 -0.377 0.000 0.820 1146 L CB 1.575 43.223 42.059 -0.686 0.000 1.270 1146 L HN 0.790 nan 8.230 nan 0.000 0.415 1147 L N 5.276 126.420 121.223 -0.132 0.000 2.265 1147 L HA 0.596 4.896 4.340 -0.068 0.000 0.289 1147 L C -0.770 176.087 176.870 -0.022 0.000 1.033 1147 L CA 0.224 55.038 54.840 -0.044 0.000 0.814 1147 L CB 0.415 42.482 42.059 0.012 0.000 1.203 1147 L HN 0.418 nan 8.230 nan 0.000 0.423 1148 I N 3.989 124.535 120.570 -0.040 0.000 2.433 1148 I HA 0.301 4.430 4.170 -0.068 0.000 0.292 1148 I C -0.226 175.898 176.117 0.013 0.000 1.001 1148 I CA -0.953 60.330 61.300 -0.029 0.000 1.119 1148 I CB 1.591 39.557 38.000 -0.057 0.000 1.289 1148 I HN 0.493 nan 8.210 nan 0.000 0.438 1149 D N 7.702 128.121 120.400 0.032 0.000 2.378 1149 D HA 0.113 4.712 4.640 -0.068 0.000 0.238 1149 D C -2.199 174.110 176.300 0.015 0.000 1.180 1149 D CA -0.671 53.349 54.000 0.033 0.000 0.895 1149 D CB 0.335 41.159 40.800 0.040 0.000 1.192 1149 D HN 0.228 nan 8.370 nan 0.000 0.438 1150 P HA 0.023 nan 4.420 nan 0.000 0.269 1150 P C 0.164 177.461 177.300 -0.005 0.000 1.209 1150 P CA -0.107 62.989 63.100 -0.006 0.000 0.776 1150 P CB 0.387 32.080 31.700 -0.012 0.000 0.876 1151 L N -1.009 120.206 121.223 -0.013 0.000 3.660 1151 L HA -0.196 4.104 4.340 -0.068 0.000 0.440 1151 L C -0.349 176.525 176.870 0.007 0.000 1.262 1151 L CA 0.681 55.515 54.840 -0.010 0.000 0.837 1151 L CB -2.553 39.495 42.059 -0.018 0.000 1.689 1151 L HN 0.497 nan 8.230 nan 0.000 0.890 1152 T N -0.327 114.244 114.554 0.029 0.000 2.886 1152 T HA 0.746 5.056 4.350 -0.068 0.000 0.292 1152 T C 0.045 174.803 174.700 0.096 0.000 1.012 1152 T CA 0.021 62.151 62.100 0.051 0.000 0.982 1152 T CB 2.186 71.079 68.868 0.041 0.000 1.018 1152 T HN 0.371 nan 8.240 nan 0.000 0.451 1153 A N 3.544 126.448 122.820 0.141 0.000 2.318 1153 A HA 0.815 5.095 4.320 -0.068 0.000 0.324 1153 A C -0.714 176.983 177.584 0.188 0.000 1.170 1153 A CA -0.683 51.465 52.037 0.185 0.000 0.810 1153 A CB 0.411 19.551 19.000 0.233 0.000 1.198 1153 A HN 0.689 nan 8.150 nan 0.000 0.484 1154 I N 3.031 123.715 120.570 0.190 0.000 2.465 1154 I HA 0.420 4.549 4.170 -0.068 0.000 0.291 1154 I C -0.657 175.621 176.117 0.268 0.000 1.014 1154 I CA -0.653 60.758 61.300 0.184 0.000 1.093 1154 I CB 1.428 39.470 38.000 0.070 0.000 1.267 1154 I HN 0.281 nan 8.210 nan 0.000 0.431 1155 V N 6.935 126.977 119.914 0.213 0.000 2.487 1155 V HA 0.532 4.611 4.120 -0.068 0.000 0.298 1155 V C 0.086 176.323 176.094 0.238 0.000 1.028 1155 V CA -0.514 61.924 62.300 0.230 0.000 0.860 1155 V CB 2.431 34.369 31.823 0.191 0.000 0.991 1155 V HN 0.457 nan 8.190 nan 0.000 0.427 1156 I N 4.279 125.008 120.570 0.266 0.000 2.493 1156 I HA 0.549 4.678 4.170 -0.068 0.000 0.298 1156 I C -0.166 176.023 176.117 0.121 0.000 0.998 1156 I CA -0.691 60.736 61.300 0.210 0.000 1.137 1156 I CB 1.928 40.075 38.000 0.246 0.000 1.310 1156 I HN 0.508 nan 8.210 nan 0.000 0.445 1157 K N 5.357 125.771 120.400 0.023 0.000 2.292 1157 K HA 0.615 4.895 4.320 -0.068 0.000 0.257 1157 K C -1.664 174.862 176.600 -0.124 0.000 0.940 1157 K CA -0.515 55.646 56.287 -0.210 0.000 0.811 1157 K CB 2.073 34.401 32.500 -0.287 0.000 1.120 1157 K HN 0.418 nan 8.250 nan 0.000 0.428 1158 V N 3.795 123.621 119.914 -0.146 0.000 2.313 1158 V HA 0.341 4.421 4.120 -0.068 0.000 0.278 1158 V C 0.752 176.795 176.094 -0.085 0.000 1.017 1158 V CA -0.735 61.539 62.300 -0.043 0.000 0.823 1158 V CB 1.015 32.885 31.823 0.079 0.000 1.010 1158 V HN 0.959 nan 8.190 nan 0.000 0.443 1159 G N 0.000 108.761 108.800 -0.065 0.000 5.446 1159 G HA2 0.000 3.919 3.960 -0.068 0.000 0.244 1159 G HA3 0.000 3.919 3.960 -0.068 0.000 0.244 1159 G CA 0.000 45.071 45.100 -0.049 0.000 0.502 1159 G HN 0.000 nan 8.290 nan 0.000 0.925