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 2oaj_1_A DATA FIRST_RESID 62 DATA SEQUENCE KNKIFSLAET NKYGMSSKPI AAAFDFTQNL LAIATVTGEV HIYGQQQVEV DATA SEQUENCE VIKLEDRSAI KEMRFVKGIY LVVINAKDTV YVLSLYSQKV LTTVFVPGKI DATA SEQUENCE TSIDTDASLD WMLIGLQNGS MIVYDIDRDQ LSSFKLDNLQ KSSFFPAARL DATA SEQUENCE SPIVSIQWNP RDIGTVLISY EYVTLTYSLV ENEIKQSFIY ELPPFAPGGD DATA SEQUENCE FSEKTNEKRT PKVIQSLYHP NSLHIITIHE DNSLVFWDAN SGHMIMARTV DATA SEQUENCE FETEINVPQP DYIRDSSTNA AKISKVYWMC ENNPEYTSLL ISHKSISRGD DATA SEQUENCE NQSLTMIDLG YTPRYSITSY EGMKNYYANP KQMKIFPLPT NVPIVNILPI DATA SEQUENCE PRQSPYFAGC HNPGLILLIL GNGEIETMLY PSGIFTDKAS LFPQNLSWLR DATA SEQUENCE PLATTSMAAS VPNKLWLGAL SAAQNKDYLL KGGVRTKRQK LPAEYGTAFI DATA SEQUENCE TGHSNGSVRI YDASHGDIQD NASFEVNLSR TLNKAKELAV DKISFAAETL DATA SEQUENCE ELAVSIETGD VVLFKYEVNQ FXXXXXXXXX XXXXXXFRRF SLNNTNGVLV DATA SEQUENCE DVRDRAPTGV RQGFMPSTAV HANKGKTSAI NNSNIGFVGI AYAAGSLMLI DATA SEQUENCE DRRGPAIIYM ENIREISGAQ SACVTCIEFV IMEYGDDGYS SILMVCGTDM DATA SEQUENCE GEVITYKILP ASGGKFDVQL MDITNVTSKG PIHKIDAFSK ETKSSCLATI DATA SEQUENCE PKMQNLSKGL CIPGIVLITG FDDIRLITLG KSKSTHKGFK YPLAATGLSY DATA SEQUENCE ISTVEKNNDR KNLTVIITLE INGHLRVFTI PDFKEQMSEH IPFPIAAKYI DATA SEQUENCE TESSVLRNGD IAIRVSEFQA SLFSTVKEQD TLAPVSDTLY INGIRIPYRP DATA SEQUENCE QVNSLQWARG TVYCTPAQLN ELLGGVNRPA SKYKESIIAE 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 62 K HA 0.000 nan 4.320 nan 0.000 0.191 62 K C 0.000 176.642 176.600 0.070 0.000 0.988 62 K CA 0.000 56.303 56.287 0.027 0.000 0.838 62 K CB 0.000 32.514 32.500 0.024 0.000 1.064 63 N N 1.475 120.213 118.700 0.065 0.000 2.497 63 N HA -0.132 4.603 4.740 -0.009 0.000 0.289 63 N C -0.670 174.861 175.510 0.036 0.000 1.565 63 N CA 0.611 53.703 53.050 0.070 0.000 0.887 63 N CB -0.307 38.298 38.487 0.196 0.000 0.952 63 N HN 0.477 nan 8.380 nan 0.000 0.465 64 K N 1.874 122.262 120.400 -0.020 0.000 2.555 64 K HA 0.076 4.391 4.320 -0.009 0.000 0.193 64 K C 1.365 177.904 176.600 -0.100 0.000 1.032 64 K CA 0.498 56.764 56.287 -0.036 0.000 1.004 64 K CB 0.131 32.609 32.500 -0.036 0.000 0.804 64 K HN 0.590 nan 8.250 nan 0.000 0.496 65 I N 0.078 120.528 120.570 -0.200 0.000 2.439 65 I HA -0.137 4.028 4.170 -0.009 0.000 0.251 65 I C 0.375 176.144 176.117 -0.578 0.000 1.139 65 I CA 0.816 61.839 61.300 -0.460 0.000 1.438 65 I CB 0.085 37.631 38.000 -0.756 0.000 1.085 65 I HN -0.033 nan 8.210 nan 0.000 0.427 66 F N 0.027 119.949 119.950 -0.047 0.000 2.420 66 F HA 0.472 4.994 4.527 -0.009 0.000 0.342 66 F C 0.356 176.127 175.800 -0.048 0.000 1.113 66 F CA -0.484 57.483 58.000 -0.054 0.000 1.059 66 F CB 1.573 40.525 39.000 -0.080 0.000 1.128 66 F HN -0.297 nan 8.300 nan 0.000 0.475 67 S N 3.449 119.232 115.700 0.138 0.000 2.566 67 S HA 0.493 4.958 4.470 -0.009 0.000 0.273 67 S C -1.661 172.980 174.600 0.068 0.000 1.157 67 S CA -0.616 57.626 58.200 0.070 0.000 0.938 67 S CB 0.991 64.213 63.200 0.035 0.000 1.087 67 S HN 0.581 nan 8.310 nan 0.000 0.474 68 L N 4.941 126.187 121.223 0.040 0.000 2.319 68 L HA 0.825 5.159 4.340 -0.009 0.000 0.280 68 L C -0.190 176.745 176.870 0.109 0.000 1.099 68 L CA 0.559 55.430 54.840 0.052 0.000 0.828 68 L CB 0.598 42.635 42.059 -0.037 0.000 1.150 68 L HN 0.800 nan 8.230 nan 0.000 0.442 69 A N 4.480 127.412 122.820 0.187 0.000 2.488 69 A HA 0.472 4.787 4.320 -0.009 0.000 0.298 69 A C -0.969 176.719 177.584 0.173 0.000 1.044 69 A CA -0.692 51.443 52.037 0.164 0.000 0.693 69 A CB 0.955 20.001 19.000 0.077 0.000 1.272 69 A HN 0.705 nan 8.150 nan 0.000 0.402 70 E N 1.439 121.644 120.200 0.008 0.000 2.223 70 E HA 0.375 4.720 4.350 -0.009 0.000 0.282 70 E C 0.176 176.635 176.600 -0.236 0.000 1.046 70 E CA -0.020 56.112 56.400 -0.448 0.000 0.857 70 E CB 0.760 30.171 29.700 -0.482 0.000 1.055 70 E HN 0.582 nan 8.360 nan 0.000 0.409 71 T N 3.850 118.264 114.554 -0.233 0.000 3.010 71 T HA 0.131 4.476 4.350 -0.009 0.000 0.252 71 T C 0.119 174.738 174.700 -0.135 0.000 1.047 71 T CA 0.115 62.144 62.100 -0.117 0.000 1.140 71 T CB 0.167 69.007 68.868 -0.046 0.000 0.885 71 T HN 0.391 nan 8.240 nan 0.000 0.464 72 N N 0.501 119.107 118.700 -0.157 0.000 2.591 72 N HA 0.375 5.110 4.740 -0.009 0.000 0.263 72 N C -1.605 173.740 175.510 -0.276 0.000 1.308 72 N CA -0.514 52.400 53.050 -0.226 0.000 0.837 72 N CB 2.463 40.800 38.487 -0.250 0.000 1.548 72 N HN 0.050 nan 8.380 nan 0.000 0.493 73 K N 1.130 121.250 120.400 -0.466 0.000 2.318 73 K HA 0.547 4.862 4.320 -0.009 0.000 0.249 73 K C -1.409 174.782 176.600 -0.682 0.000 0.942 73 K CA -0.535 55.536 56.287 -0.360 0.000 0.808 73 K CB 1.838 34.215 32.500 -0.205 0.000 1.189 73 K HN 0.417 nan 8.250 nan 0.000 0.428 74 Y N -0.320 119.930 120.300 -0.084 0.000 2.492 74 Y HA 0.440 4.985 4.550 -0.009 0.000 0.346 74 Y C 0.741 176.361 175.900 -0.466 0.000 0.997 74 Y CA -0.125 57.880 58.100 -0.159 0.000 1.025 74 Y CB 2.217 40.647 38.460 -0.050 0.000 1.263 74 Y HN 0.904 nan 8.280 nan 0.000 0.454 75 G N 2.248 110.922 108.800 -0.210 0.000 2.509 75 G HA2 -0.209 3.745 3.960 -0.009 0.000 0.259 75 G HA3 -0.209 3.745 3.960 -0.009 0.000 0.259 75 G C -0.802 174.031 174.900 -0.112 0.000 1.169 75 G CA -0.165 44.825 45.100 -0.182 0.000 0.953 75 G HN 0.537 nan 8.290 nan 0.000 0.563 76 M N -0.236 119.304 119.600 -0.100 0.000 2.518 76 M HA 0.489 4.964 4.480 -0.009 0.000 0.300 76 M C 0.822 177.094 176.300 -0.046 0.000 1.175 76 M CA -0.588 54.634 55.300 -0.129 0.000 0.890 76 M CB 2.371 34.813 32.600 -0.263 0.000 1.710 76 M HN 0.381 nan 8.290 nan 0.000 0.453 77 S N 0.705 116.386 115.700 -0.032 0.000 2.603 77 S HA 0.045 4.510 4.470 -0.009 0.000 0.229 77 S C 0.283 174.863 174.600 -0.034 0.000 0.972 77 S CA 0.423 58.581 58.200 -0.070 0.000 0.935 77 S CB -0.338 62.792 63.200 -0.117 0.000 0.769 77 S HN 0.826 nan 8.310 nan 0.000 0.536 78 S N -0.028 115.637 115.700 -0.058 0.000 2.643 78 S HA 0.367 4.832 4.470 -0.009 0.000 0.266 78 S C -1.234 173.132 174.600 -0.389 0.000 1.130 78 S CA -1.171 56.973 58.200 -0.093 0.000 0.817 78 S CB 0.967 64.129 63.200 -0.063 0.000 1.107 78 S HN 0.106 nan 8.310 nan 0.000 0.471 79 K N 1.471 121.593 120.400 -0.463 0.000 2.447 79 K HA 0.287 4.601 4.320 -0.009 0.000 0.281 79 K C -2.541 173.823 176.600 -0.392 0.000 1.031 79 K CA -1.211 54.669 56.287 -0.679 0.000 1.019 79 K CB -0.132 32.177 32.500 -0.317 0.000 0.918 79 K HN 0.325 nan 8.250 nan 0.000 0.476 80 P HA 0.004 nan 4.420 nan 0.000 0.271 80 P C -0.316 176.898 177.300 -0.143 0.000 1.216 80 P CA -0.041 62.926 63.100 -0.221 0.000 0.776 80 P CB 0.706 32.281 31.700 -0.208 0.000 0.881 81 I N 1.536 122.054 120.570 -0.087 0.000 4.916 81 I HA 0.455 4.620 4.170 -0.009 0.000 0.335 81 I C -0.330 175.772 176.117 -0.025 0.000 1.274 81 I CA 0.115 61.383 61.300 -0.053 0.000 1.365 81 I CB 0.414 38.386 38.000 -0.048 0.000 1.395 81 I HN 0.354 nan 8.210 nan 0.000 0.485 82 A N 0.414 123.221 122.820 -0.020 0.000 2.594 82 A HA 0.951 5.266 4.320 -0.009 0.000 0.295 82 A C -1.265 176.331 177.584 0.021 0.000 1.071 82 A CA 0.060 52.099 52.037 0.005 0.000 0.685 82 A CB 1.123 20.125 19.000 0.003 0.000 1.285 82 A HN 0.340 nan 8.150 nan 0.000 0.405 83 A N -0.232 122.617 122.820 0.049 0.000 2.569 83 A HA 1.089 5.404 4.320 -0.009 0.000 0.290 83 A C -0.372 177.297 177.584 0.142 0.000 1.136 83 A CA -0.109 51.982 52.037 0.089 0.000 0.710 83 A CB 1.420 20.464 19.000 0.074 0.000 1.303 83 A HN 2.728 nan 8.150 nan 0.000 0.413 84 A N -0.444 122.520 122.820 0.239 0.000 2.610 84 A HA 0.801 5.116 4.320 -0.009 0.000 0.291 84 A C -1.739 176.224 177.584 0.631 0.000 1.086 84 A CA -0.338 51.924 52.037 0.375 0.000 0.677 84 A CB 0.978 20.146 19.000 0.280 0.000 1.278 84 A HN 2.012 nan 8.150 nan 0.000 0.414 85 F N 0.655 120.843 119.950 0.397 0.000 2.581 85 F HA 0.640 5.162 4.527 -0.007 0.000 0.311 85 F C -1.330 174.379 175.800 -0.152 0.000 1.113 85 F CA -0.433 57.636 58.000 0.115 0.000 0.935 85 F CB 2.016 41.068 39.000 0.086 0.000 1.232 85 F HN 0.616 nan 8.300 nan 0.000 0.445 86 D N 4.804 124.320 120.400 -1.474 0.000 2.381 86 D HA 0.194 4.829 4.640 -0.009 0.000 0.235 86 D C 0.443 176.021 176.300 -1.204 0.000 1.068 86 D CA -0.399 52.898 54.000 -1.171 0.000 0.832 86 D CB 0.848 40.828 40.800 -1.367 0.000 1.101 86 D HN 0.423 nan 8.370 nan 0.000 0.515 87 F N 2.891 122.416 119.950 -0.708 0.000 2.046 87 F HA -0.192 4.330 4.527 -0.009 0.000 0.297 87 F C 1.971 177.568 175.800 -0.339 0.000 1.123 87 F CA 1.797 59.569 58.000 -0.380 0.000 1.199 87 F CB -0.533 38.412 39.000 -0.091 0.000 0.972 87 F HN 0.387 nan 8.300 nan 0.000 0.474 88 T N 0.419 114.854 114.554 -0.198 0.000 2.597 88 T HA -0.260 4.085 4.350 -0.009 0.000 0.267 88 T C 1.767 176.242 174.700 -0.376 0.000 1.053 88 T CA 1.839 63.797 62.100 -0.236 0.000 1.165 88 T CB -0.394 68.418 68.868 -0.093 0.000 0.863 88 T HN 0.295 nan 8.240 nan 0.000 0.427 89 Q N 0.652 120.214 119.800 -0.397 0.000 2.432 89 Q HA 0.094 4.429 4.340 -0.009 0.000 0.205 89 Q C 0.522 176.269 176.000 -0.422 0.000 0.945 89 Q CA -0.012 55.561 55.803 -0.384 0.000 0.924 89 Q CB -0.340 28.203 28.738 -0.325 0.000 1.016 89 Q HN 0.558 nan 8.270 nan 0.000 0.503 90 N N 0.436 118.783 118.700 -0.587 0.000 2.681 90 N HA -0.192 4.543 4.740 -0.009 0.000 0.259 90 N C -1.345 173.937 175.510 -0.380 0.000 1.066 90 N CA 0.315 53.044 53.050 -0.535 0.000 0.717 90 N CB -0.976 37.330 38.487 -0.301 0.000 0.885 90 N HN 0.174 nan 8.380 nan 0.000 0.547 91 L N 1.214 122.084 121.223 -0.588 0.000 2.370 91 L HA 0.628 4.963 4.340 -0.009 0.000 0.266 91 L C -0.314 176.471 176.870 -0.142 0.000 1.002 91 L CA -0.956 53.720 54.840 -0.273 0.000 0.818 91 L CB 1.923 43.830 42.059 -0.253 0.000 1.325 91 L HN 0.066 nan 8.230 nan 0.000 0.418 92 L N 2.299 123.671 121.223 0.248 0.000 2.333 92 L HA 0.862 5.197 4.340 -0.009 0.000 0.280 92 L C -0.584 176.580 176.870 0.491 0.000 1.004 92 L CA -0.127 54.980 54.840 0.445 0.000 0.820 92 L CB 1.566 43.908 42.059 0.472 0.000 1.247 92 L HN 0.645 nan 8.230 nan 0.000 0.416 93 A N 6.447 129.570 122.820 0.505 0.000 2.331 93 A HA 0.842 5.157 4.320 -0.009 0.000 0.320 93 A C -0.964 176.767 177.584 0.245 0.000 1.138 93 A CA -0.461 51.778 52.037 0.338 0.000 0.790 93 A CB 0.721 19.834 19.000 0.189 0.000 1.206 93 A HN 0.679 nan 8.150 nan 0.000 0.470 94 I N 1.883 122.587 120.570 0.223 0.000 2.499 94 I HA 0.556 4.721 4.170 -0.009 0.000 0.288 94 I C 0.293 176.468 176.117 0.096 0.000 1.048 94 I CA -0.472 60.915 61.300 0.146 0.000 1.062 94 I CB 2.042 40.134 38.000 0.154 0.000 1.238 94 I HN 0.737 nan 8.210 nan 0.000 0.426 95 A N 4.051 126.889 122.820 0.030 0.000 2.320 95 A HA 0.865 5.180 4.320 -0.009 0.000 0.334 95 A C 0.005 177.570 177.584 -0.031 0.000 1.147 95 A CA -0.439 51.596 52.037 -0.002 0.000 0.820 95 A CB 1.407 20.383 19.000 -0.039 0.000 1.218 95 A HN 0.727 nan 8.150 nan 0.000 0.482 96 T N -2.093 112.438 114.554 -0.039 0.000 2.937 96 T HA 0.398 4.743 4.350 -0.009 0.000 0.283 96 T C 0.850 175.506 174.700 -0.074 0.000 1.012 96 T CA 0.165 62.218 62.100 -0.077 0.000 0.997 96 T CB 1.005 69.826 68.868 -0.078 0.000 1.136 96 T HN 1.137 nan 8.240 nan 0.000 0.551 97 V N 1.099 120.964 119.914 -0.081 0.000 2.913 97 V HA 0.036 4.151 4.120 -0.009 0.000 0.260 97 V C 1.950 178.018 176.094 -0.045 0.000 1.098 97 V CA 2.191 64.457 62.300 -0.055 0.000 1.121 97 V CB -1.131 30.664 31.823 -0.046 0.000 0.714 97 V HN 1.144 nan 8.190 nan 0.000 0.487 98 T N -3.191 111.332 114.554 -0.051 0.000 3.176 98 T HA 0.450 4.795 4.350 -0.009 0.000 0.263 98 T C 1.260 175.920 174.700 -0.066 0.000 1.021 98 T CA 0.460 62.533 62.100 -0.046 0.000 0.905 98 T CB 0.317 69.163 68.868 -0.037 0.000 1.057 98 T HN 1.161 nan 8.240 nan 0.000 0.558 99 G N 0.916 109.665 108.800 -0.085 0.000 2.141 99 G HA2 -0.201 3.754 3.960 -0.009 0.000 0.242 99 G HA3 -0.201 3.754 3.960 -0.009 0.000 0.242 99 G C -0.368 174.443 174.900 -0.148 0.000 0.982 99 G CA -0.244 44.778 45.100 -0.130 0.000 0.662 99 G HN 0.618 nan 8.290 nan 0.000 0.527 100 E N -0.643 119.494 120.200 -0.105 0.000 2.231 100 E HA 0.620 4.965 4.350 -0.009 0.000 0.277 100 E C -0.055 176.497 176.600 -0.079 0.000 0.999 100 E CA -0.592 55.740 56.400 -0.113 0.000 0.827 100 E CB 2.318 31.974 29.700 -0.074 0.000 1.101 100 E HN 0.186 nan 8.360 nan 0.000 0.393 101 V N 3.841 123.666 119.914 -0.149 0.000 2.407 101 V HA 0.210 4.325 4.120 -0.009 0.000 0.291 101 V C -0.627 175.359 176.094 -0.181 0.000 1.018 101 V CA -0.751 61.482 62.300 -0.111 0.000 0.842 101 V CB 0.953 32.686 31.823 -0.151 0.000 0.996 101 V HN 0.675 nan 8.190 nan 0.000 0.426 102 H N 5.479 124.454 119.070 -0.159 0.000 2.488 102 H HA 0.566 5.117 4.556 -0.008 0.000 0.322 102 H C -0.774 174.335 175.328 -0.365 0.000 1.078 102 H CA -0.343 55.515 56.048 -0.318 0.000 1.260 102 H CB 2.228 31.804 29.762 -0.311 0.000 1.425 102 H HN 0.474 nan 8.280 nan 0.000 0.471 103 I N 4.539 124.893 120.570 -0.359 0.000 2.389 103 I HA 0.188 4.353 4.170 -0.009 0.000 0.288 103 I C -0.894 175.038 176.117 -0.309 0.000 0.999 103 I CA -0.664 60.535 61.300 -0.169 0.000 1.129 103 I CB 0.898 38.876 38.000 -0.038 0.000 1.288 103 I HN 0.403 nan 8.210 nan 0.000 0.444 104 Y N 3.981 124.346 120.300 0.108 0.000 2.487 104 Y HA 0.833 5.379 4.550 -0.008 0.000 0.337 104 Y C 0.764 176.695 175.900 0.052 0.000 1.076 104 Y CA -0.620 57.526 58.100 0.077 0.000 1.115 104 Y CB 1.930 40.461 38.460 0.119 0.000 1.235 104 Y HN 0.591 nan 8.280 nan 0.000 0.468 105 G N 0.037 108.930 108.800 0.156 0.000 3.058 105 G HA2 0.424 4.378 3.960 -0.009 0.000 0.282 105 G HA3 0.424 4.378 3.960 -0.009 0.000 0.282 105 G C -1.435 173.438 174.900 -0.045 0.000 1.248 105 G CA -1.209 43.913 45.100 0.037 0.000 0.822 105 G HN 0.676 nan 8.290 nan 0.000 0.579 106 Q N -0.259 119.457 119.800 -0.141 0.000 2.469 106 Q HA 0.307 4.641 4.340 -0.009 0.000 0.279 106 Q C 0.535 176.164 176.000 -0.618 0.000 1.097 106 Q CA 0.902 56.468 55.803 -0.395 0.000 0.951 106 Q CB 0.477 29.044 28.738 -0.285 0.000 1.297 106 Q HN 0.711 nan 8.270 nan 0.000 0.465 107 Q N -0.067 118.939 119.800 -1.323 0.000 2.146 107 Q HA -0.323 4.012 4.340 -0.009 0.000 0.412 107 Q C 0.763 176.548 176.000 -0.358 0.000 0.668 107 Q CA 2.063 57.370 55.803 -0.827 0.000 0.931 107 Q CB -1.160 27.265 28.738 -0.521 0.000 2.824 107 Q HN 0.856 nan 8.270 nan 0.000 0.873 108 Q N 0.082 119.742 119.800 -0.232 0.000 2.219 108 Q HA 0.284 4.619 4.340 -0.009 0.000 0.209 108 Q C -0.422 175.517 176.000 -0.102 0.000 0.854 108 Q CA 0.106 55.830 55.803 -0.132 0.000 0.960 108 Q CB 0.967 29.618 28.738 -0.145 0.000 1.116 108 Q HN 0.302 nan 8.270 nan 0.000 0.500 109 V N 2.752 122.596 119.914 -0.117 0.000 2.625 109 V HA -0.085 4.030 4.120 -0.009 0.000 0.305 109 V C 0.429 176.500 176.094 -0.038 0.000 1.055 109 V CA 0.943 63.187 62.300 -0.093 0.000 1.209 109 V CB -0.005 31.761 31.823 -0.094 0.000 0.877 109 V HN 0.266 nan 8.190 nan 0.000 0.489 110 E N 4.242 124.380 120.200 -0.103 0.000 2.397 110 E HA 0.530 4.875 4.350 -0.009 0.000 0.293 110 E C -2.132 174.340 176.600 -0.213 0.000 0.930 110 E CA -0.506 55.784 56.400 -0.183 0.000 0.793 110 E CB 2.182 31.808 29.700 -0.124 0.000 1.259 110 E HN 0.384 nan 8.360 nan 0.000 0.406 111 V N 3.821 123.581 119.914 -0.257 0.000 2.735 111 V HA 0.504 4.619 4.120 -0.009 0.000 0.310 111 V C -0.548 175.359 176.094 -0.312 0.000 1.061 111 V CA -0.725 61.437 62.300 -0.230 0.000 0.913 111 V CB 2.020 33.742 31.823 -0.168 0.000 1.005 111 V HN 0.542 nan 8.190 nan 0.000 0.428 112 V N 5.833 125.549 119.914 -0.329 0.000 2.448 112 V HA 0.556 4.671 4.120 -0.009 0.000 0.295 112 V C -0.378 175.529 176.094 -0.313 0.000 1.025 112 V CA -0.424 61.603 62.300 -0.455 0.000 0.859 112 V CB 1.759 33.233 31.823 -0.581 0.000 0.988 112 V HN 0.655 nan 8.190 nan 0.000 0.431 113 I N 4.473 124.869 120.570 -0.290 0.000 2.410 113 I HA 0.456 4.621 4.170 -0.009 0.000 0.286 113 I C -0.153 175.836 176.117 -0.213 0.000 1.009 113 I CA -0.578 60.595 61.300 -0.212 0.000 1.111 113 I CB 1.792 39.687 38.000 -0.175 0.000 1.262 113 I HN 0.535 nan 8.210 nan 0.000 0.443 114 K N 7.372 127.663 120.400 -0.182 0.000 2.211 114 K HA 0.548 4.863 4.320 -0.009 0.000 0.275 114 K C -0.817 175.682 176.600 -0.167 0.000 1.024 114 K CA -0.559 55.626 56.287 -0.169 0.000 0.887 114 K CB 1.042 33.461 32.500 -0.135 0.000 1.084 114 K HN 0.560 nan 8.250 nan 0.000 0.463 115 L N 3.989 125.079 121.223 -0.222 0.000 2.436 115 L HA 0.064 4.399 4.340 -0.009 0.000 0.265 115 L C 1.551 178.334 176.870 -0.146 0.000 1.168 115 L CA -0.592 54.075 54.840 -0.288 0.000 0.815 115 L CB 0.828 42.549 42.059 -0.563 0.000 1.109 115 L HN 0.756 nan 8.230 nan 0.000 0.462 116 E N 0.554 120.721 120.200 -0.055 0.000 2.085 116 E HA -0.166 4.178 4.350 -0.009 0.000 0.194 116 E C 0.153 176.767 176.600 0.022 0.000 0.994 116 E CA 1.049 57.463 56.400 0.022 0.000 0.801 116 E CB -0.228 29.532 29.700 0.100 0.000 0.743 116 E HN 0.555 nan 8.360 nan 0.000 0.453 117 D N 0.204 120.625 120.400 0.034 0.000 2.304 117 D HA 0.042 4.677 4.640 -0.009 0.000 0.250 117 D C 0.479 176.763 176.300 -0.026 0.000 1.107 117 D CA -0.129 53.893 54.000 0.037 0.000 0.885 117 D CB 0.785 41.643 40.800 0.098 0.000 1.192 117 D HN -0.181 nan 8.370 nan 0.000 0.436 118 R N 2.314 122.808 120.500 -0.010 0.000 2.363 118 R HA 0.114 4.449 4.340 -0.009 0.000 0.236 118 R C 0.242 176.528 176.300 -0.023 0.000 0.966 118 R CA -0.257 55.828 56.100 -0.025 0.000 1.100 118 R CB -0.043 30.252 30.300 -0.009 0.000 1.125 118 R HN 0.291 nan 8.270 nan 0.000 0.514 119 S N -0.475 115.213 115.700 -0.020 0.000 2.603 119 S HA 0.455 4.920 4.470 -0.009 0.000 0.268 119 S C 0.091 174.669 174.600 -0.037 0.000 1.317 119 S CA -0.444 57.746 58.200 -0.016 0.000 1.012 119 S CB 1.007 64.207 63.200 -0.000 0.000 0.926 119 S HN 0.395 nan 8.310 nan 0.000 0.539 120 A N 3.612 126.415 122.820 -0.029 0.000 2.351 120 A HA 0.508 4.823 4.320 -0.009 0.000 0.257 120 A C 0.005 177.564 177.584 -0.041 0.000 1.087 120 A CA -0.512 51.502 52.037 -0.037 0.000 0.798 120 A CB -0.021 18.963 19.000 -0.026 0.000 1.033 120 A HN 0.736 nan 8.150 nan 0.000 0.488 121 I N 1.596 122.136 120.570 -0.050 0.000 2.365 121 I HA 0.205 4.370 4.170 -0.009 0.000 0.291 121 I C 0.981 177.080 176.117 -0.029 0.000 1.004 121 I CA 0.147 61.418 61.300 -0.048 0.000 1.311 121 I CB 1.119 39.081 38.000 -0.064 0.000 1.401 121 I HN 0.856 nan 8.210 nan 0.000 0.491 122 K N 3.359 123.746 120.400 -0.021 0.000 2.190 122 K HA 0.192 4.507 4.320 -0.009 0.000 0.202 122 K C 0.043 176.641 176.600 -0.003 0.000 1.045 122 K CA 0.584 56.863 56.287 -0.012 0.000 0.976 122 K CB 0.520 33.012 32.500 -0.013 0.000 0.849 122 K HN 0.565 nan 8.250 nan 0.000 0.468 123 E N -0.135 120.063 120.200 -0.004 0.000 2.372 123 E HA 0.381 4.726 4.350 -0.009 0.000 0.279 123 E C -1.368 175.231 176.600 -0.001 0.000 0.946 123 E CA -0.360 56.046 56.400 0.010 0.000 0.769 123 E CB 2.527 32.239 29.700 0.021 0.000 1.230 123 E HN -0.050 nan 8.360 nan 0.000 0.442 124 M N 1.820 121.423 119.600 0.005 0.000 2.501 124 M HA 0.607 5.082 4.480 -0.009 0.000 0.293 124 M C -0.930 175.369 176.300 -0.002 0.000 1.192 124 M CA -0.980 54.298 55.300 -0.037 0.000 0.886 124 M CB 2.224 34.769 32.600 -0.091 0.000 1.710 124 M HN 0.165 nan 8.290 nan 0.000 0.457 125 R N 1.454 121.929 120.500 -0.040 0.000 2.584 125 R HA 0.560 4.895 4.340 -0.009 0.000 0.276 125 R C -1.857 174.444 176.300 0.002 0.000 1.046 125 R CA -0.508 55.626 56.100 0.056 0.000 0.906 125 R CB 1.715 32.080 30.300 0.108 0.000 1.215 125 R HN 0.566 nan 8.270 nan 0.000 0.449 126 F N 1.024 121.020 119.950 0.077 0.000 2.404 126 F HA 0.512 5.034 4.527 -0.009 0.000 0.339 126 F C 0.459 176.304 175.800 0.074 0.000 1.105 126 F CA -0.481 57.557 58.000 0.063 0.000 1.087 126 F CB 1.567 40.578 39.000 0.017 0.000 1.143 126 F HN -0.028 nan 8.300 nan 0.000 0.491 127 V N 3.730 123.816 119.914 0.286 0.000 2.789 127 V HA 0.342 4.457 4.120 -0.009 0.000 0.311 127 V C 0.114 176.353 176.094 0.241 0.000 1.073 127 V CA -1.472 60.961 62.300 0.221 0.000 0.921 127 V CB 1.952 33.880 31.823 0.176 0.000 1.009 127 V HN 0.701 nan 8.190 nan 0.000 0.426 128 K N 2.678 123.170 120.400 0.154 0.000 3.274 128 K HA -0.261 4.054 4.320 -0.009 0.000 0.305 128 K C 1.237 177.890 176.600 0.088 0.000 1.225 128 K CA 1.241 57.596 56.287 0.112 0.000 0.904 128 K CB -1.580 31.017 32.500 0.163 0.000 1.227 128 K HN 1.871 nan 8.250 nan 0.000 0.453 129 G N 0.409 109.279 108.800 0.117 0.000 2.196 129 G HA2 -0.349 3.606 3.960 -0.009 0.000 0.268 129 G HA3 -0.349 3.606 3.960 -0.009 0.000 0.268 129 G C 0.719 175.760 174.900 0.234 0.000 0.975 129 G CA 0.729 45.907 45.100 0.130 0.000 0.648 129 G HN 0.518 nan 8.290 nan 0.000 0.538 130 I N -1.549 119.042 120.570 0.036 0.000 4.526 130 I HA 0.408 4.573 4.170 -0.009 0.000 0.330 130 I C 0.004 175.934 176.117 -0.312 0.000 1.323 130 I CA -0.489 60.660 61.300 -0.251 0.000 1.218 130 I CB 0.572 38.105 38.000 -0.780 0.000 1.233 130 I HN 0.138 nan 8.210 nan 0.000 0.430 131 Y N 0.875 121.188 120.300 0.022 0.000 2.468 131 Y HA 0.572 5.117 4.550 -0.009 0.000 0.342 131 Y C -0.700 175.189 175.900 -0.018 0.000 1.021 131 Y CA -1.124 56.959 58.100 -0.030 0.000 1.079 131 Y CB 1.828 40.255 38.460 -0.055 0.000 1.226 131 Y HN -0.153 nan 8.280 nan 0.000 0.460 132 L N 3.160 124.418 121.223 0.059 0.000 2.343 132 L HA 0.620 4.955 4.340 -0.009 0.000 0.278 132 L C -1.410 175.401 176.870 -0.099 0.000 0.996 132 L CA -0.806 53.921 54.840 -0.188 0.000 0.831 132 L CB 1.321 43.167 42.059 -0.354 0.000 1.232 132 L HN 0.446 nan 8.230 nan 0.000 0.413 133 V N 6.036 125.901 119.914 -0.082 0.000 2.406 133 V HA 0.507 4.622 4.120 -0.009 0.000 0.272 133 V C -0.119 175.946 176.094 -0.048 0.000 1.043 133 V CA -0.536 61.748 62.300 -0.026 0.000 0.915 133 V CB 1.387 33.222 31.823 0.020 0.000 0.988 133 V HN 0.518 nan 8.190 nan 0.000 0.466 134 V N 6.685 126.591 119.914 -0.014 0.000 2.495 134 V HA 0.548 4.663 4.120 -0.009 0.000 0.298 134 V C -0.235 175.888 176.094 0.049 0.000 1.031 134 V CA -0.458 61.830 62.300 -0.019 0.000 0.871 134 V CB 1.952 33.731 31.823 -0.074 0.000 0.988 134 V HN 0.681 nan 8.190 nan 0.000 0.432 135 I N 4.979 125.558 120.570 0.014 0.000 2.418 135 I HA 0.434 4.599 4.170 -0.009 0.000 0.287 135 I C -0.293 175.828 176.117 0.007 0.000 1.008 135 I CA -0.599 60.711 61.300 0.017 0.000 1.104 135 I CB 1.995 39.984 38.000 -0.018 0.000 1.264 135 I HN 0.798 nan 8.210 nan 0.000 0.438 136 N N 4.991 123.709 118.700 0.030 0.000 2.448 136 N HA 0.392 5.127 4.740 -0.009 0.000 0.274 136 N C 0.852 176.352 175.510 -0.016 0.000 1.239 136 N CA -0.526 52.525 53.050 0.001 0.000 0.982 136 N CB 0.721 39.222 38.487 0.023 0.000 1.199 136 N HN 0.573 nan 8.380 nan 0.000 0.576 137 A N -0.305 122.505 122.820 -0.016 0.000 2.024 137 A HA -0.156 4.159 4.320 -0.009 0.000 0.220 137 A C 1.400 178.972 177.584 -0.019 0.000 1.164 137 A CA 1.227 53.255 52.037 -0.016 0.000 0.643 137 A CB -0.699 18.295 19.000 -0.010 0.000 0.806 137 A HN 0.722 nan 8.150 nan 0.000 0.451 138 K N 0.039 120.423 120.400 -0.026 0.000 2.522 138 K HA 0.048 4.363 4.320 -0.009 0.000 0.194 138 K C -0.557 175.997 176.600 -0.077 0.000 1.026 138 K CA 0.338 56.604 56.287 -0.035 0.000 1.119 138 K CB 0.033 32.516 32.500 -0.029 0.000 0.856 138 K HN 0.342 nan 8.250 nan 0.000 0.513 139 D N 1.049 121.402 120.400 -0.079 0.000 2.772 139 D HA -0.130 4.505 4.640 -0.009 0.000 0.233 139 D C -0.793 175.386 176.300 -0.202 0.000 1.143 139 D CA 1.194 55.132 54.000 -0.102 0.000 0.700 139 D CB -1.312 39.449 40.800 -0.065 0.000 1.076 139 D HN 0.162 nan 8.370 nan 0.000 0.430 140 T N 0.205 114.595 114.554 -0.273 0.000 2.767 140 T HA 0.463 4.808 4.350 -0.009 0.000 0.284 140 T C 0.494 174.974 174.700 -0.366 0.000 0.973 140 T CA -0.508 61.272 62.100 -0.534 0.000 0.996 140 T CB 2.346 70.760 68.868 -0.756 0.000 0.927 140 T HN -0.155 nan 8.240 nan 0.000 0.456 141 V N 4.818 124.473 119.914 -0.433 0.000 2.407 141 V HA 0.423 4.538 4.120 -0.009 0.000 0.278 141 V C -0.908 174.971 176.094 -0.358 0.000 1.037 141 V CA -0.686 61.440 62.300 -0.290 0.000 0.900 141 V CB 0.393 32.014 31.823 -0.335 0.000 0.983 141 V HN 0.761 nan 8.190 nan 0.000 0.459 142 Y N 2.835 123.046 120.300 -0.149 0.000 2.487 142 Y HA 0.700 5.245 4.550 -0.008 0.000 0.337 142 Y C 0.002 175.857 175.900 -0.076 0.000 1.076 142 Y CA -0.967 57.071 58.100 -0.103 0.000 1.115 142 Y CB 2.173 40.573 38.460 -0.099 0.000 1.235 142 Y HN 0.319 nan 8.280 nan 0.000 0.468 143 V N 4.611 124.588 119.914 0.105 0.000 2.443 143 V HA 0.396 4.511 4.120 -0.009 0.000 0.293 143 V C -0.565 175.547 176.094 0.031 0.000 1.021 143 V CA -0.873 61.454 62.300 0.044 0.000 0.848 143 V CB 1.173 33.003 31.823 0.013 0.000 0.998 143 V HN 0.553 nan 8.190 nan 0.000 0.424 144 L N 2.985 124.219 121.223 0.018 0.000 2.334 144 L HA 0.644 4.979 4.340 -0.009 0.000 0.275 144 L C 0.415 177.290 176.870 0.008 0.000 1.036 144 L CA -0.351 54.483 54.840 -0.009 0.000 0.807 144 L CB 1.900 43.928 42.059 -0.053 0.000 1.231 144 L HN 0.635 nan 8.230 nan 0.000 0.438 145 S N 1.916 117.597 115.700 -0.032 0.000 2.429 145 S HA 0.412 4.877 4.470 -0.009 0.000 0.302 145 S C 0.722 175.294 174.600 -0.045 0.000 1.115 145 S CA -0.715 57.447 58.200 -0.063 0.000 1.095 145 S CB 0.674 63.828 63.200 -0.077 0.000 0.987 145 S HN 0.606 nan 8.310 nan 0.000 0.474 146 L N 4.651 125.855 121.223 -0.032 0.000 2.599 146 L HA 0.105 4.440 4.340 -0.009 0.000 0.230 146 L C 1.548 178.453 176.870 0.058 0.000 1.141 146 L CA 0.439 55.304 54.840 0.042 0.000 0.877 146 L CB -0.446 41.703 42.059 0.151 0.000 1.009 146 L HN 0.804 nan 8.230 nan 0.000 0.447 147 Y N 0.577 120.780 120.300 -0.162 0.000 2.301 147 Y HA -0.104 4.440 4.550 -0.009 0.000 0.295 147 Y C 2.595 178.435 175.900 -0.101 0.000 1.126 147 Y CA 1.184 59.187 58.100 -0.161 0.000 1.154 147 Y CB 0.133 38.388 38.460 -0.343 0.000 1.075 147 Y HN 0.132 nan 8.280 nan 0.000 0.534 148 S N -0.659 114.939 115.700 -0.170 0.000 2.524 148 S HA 0.090 4.555 4.470 -0.009 0.000 0.215 148 S C 0.434 174.949 174.600 -0.142 0.000 0.986 148 S CA 0.202 58.272 58.200 -0.217 0.000 0.911 148 S CB -0.240 62.917 63.200 -0.072 0.000 0.805 148 S HN 0.543 nan 8.310 nan 0.000 0.501 149 Q N 0.946 120.681 119.800 -0.108 0.000 2.453 149 Q HA -0.225 4.110 4.340 -0.009 0.000 0.294 149 Q C -0.561 175.389 176.000 -0.084 0.000 1.295 149 Q CA 1.130 56.876 55.803 -0.094 0.000 0.853 149 Q CB -1.983 26.689 28.738 -0.110 0.000 1.193 149 Q HN 0.923 nan 8.270 nan 0.000 0.461 150 K N -2.571 117.789 120.400 -0.066 0.000 2.509 150 K HA 0.712 5.027 4.320 -0.009 0.000 0.266 150 K C -0.515 176.066 176.600 -0.031 0.000 0.987 150 K CA -1.162 55.096 56.287 -0.049 0.000 0.868 150 K CB 1.566 34.044 32.500 -0.036 0.000 1.421 150 K HN -0.080 nan 8.250 nan 0.000 0.444 151 V N 2.924 122.834 119.914 -0.006 0.000 2.521 151 V HA 0.018 4.133 4.120 -0.009 0.000 0.286 151 V C 1.211 177.326 176.094 0.035 0.000 1.034 151 V CA -0.076 62.245 62.300 0.034 0.000 1.045 151 V CB 0.382 32.264 31.823 0.098 0.000 0.974 151 V HN 0.678 nan 8.190 nan 0.000 0.480 152 L N 3.636 124.865 121.223 0.010 0.000 2.202 152 L HA 0.169 4.504 4.340 -0.009 0.000 0.205 152 L C 0.735 177.682 176.870 0.129 0.000 1.083 152 L CA 0.965 55.807 54.840 0.003 0.000 0.790 152 L CB 0.121 42.006 42.059 -0.290 0.000 0.942 152 L HN 0.743 nan 8.230 nan 0.000 0.452 153 T N -1.888 112.735 114.554 0.115 0.000 2.830 153 T HA 0.303 4.648 4.350 -0.009 0.000 0.322 153 T C -0.843 173.873 174.700 0.028 0.000 1.501 153 T CA -0.514 61.657 62.100 0.119 0.000 1.036 153 T CB 2.497 71.481 68.868 0.194 0.000 1.379 153 T HN -0.250 nan 8.240 nan 0.000 0.493 154 T N 1.598 116.132 114.554 -0.034 0.000 2.841 154 T HA 0.726 5.071 4.350 -0.009 0.000 0.283 154 T C -1.024 173.594 174.700 -0.137 0.000 1.000 154 T CA -0.520 61.432 62.100 -0.246 0.000 0.977 154 T CB 1.323 70.070 68.868 -0.202 0.000 0.979 154 T HN 0.439 nan 8.240 nan 0.000 0.446 155 V N 3.651 123.393 119.914 -0.286 0.000 2.686 155 V HA 0.520 4.635 4.120 -0.009 0.000 0.306 155 V C -1.259 174.707 176.094 -0.213 0.000 1.065 155 V CA -0.978 61.237 62.300 -0.141 0.000 0.894 155 V CB 1.636 33.297 31.823 -0.271 0.000 1.004 155 V HN 0.787 nan 8.190 nan 0.000 0.424 156 F N 3.217 123.063 119.950 -0.174 0.000 2.405 156 F HA 0.526 5.048 4.527 -0.008 0.000 0.355 156 F C 0.354 176.088 175.800 -0.111 0.000 1.121 156 F CA -0.750 57.169 58.000 -0.135 0.000 1.112 156 F CB 1.625 40.568 39.000 -0.095 0.000 1.126 156 F HN 0.188 nan 8.300 nan 0.000 0.481 157 V N 5.955 125.859 119.914 -0.016 0.000 2.461 157 V HA 0.198 4.313 4.120 -0.009 0.000 0.275 157 V C -1.625 174.482 176.094 0.022 0.000 1.047 157 V CA -1.484 60.804 62.300 -0.021 0.000 0.955 157 V CB 0.896 32.678 31.823 -0.068 0.000 0.988 157 V HN 0.539 nan 8.190 nan 0.000 0.471 158 P HA 0.284 nan 4.420 nan 0.000 0.244 158 P C 0.239 177.550 177.300 0.019 0.000 1.723 158 P CA 0.699 63.817 63.100 0.029 0.000 1.110 158 P CB 0.082 31.799 31.700 0.029 0.000 1.972 159 G N 0.647 109.457 108.800 0.016 0.000 2.359 159 G HA2 0.002 3.956 3.960 -0.009 0.000 0.314 159 G HA3 0.002 3.956 3.960 -0.009 0.000 0.314 159 G C -1.782 173.118 174.900 0.001 0.000 1.364 159 G CA -0.998 44.108 45.100 0.010 0.000 0.978 159 G HN 0.358 nan 8.290 nan 0.000 0.615 160 K N 0.467 120.867 120.400 -0.001 0.000 2.276 160 K HA 0.509 4.824 4.320 -0.009 0.000 0.285 160 K C 0.266 176.855 176.600 -0.018 0.000 1.062 160 K CA -0.621 55.661 56.287 -0.009 0.000 0.918 160 K CB 0.331 32.828 32.500 -0.005 0.000 1.055 160 K HN 0.379 nan 8.250 nan 0.000 0.477 161 I N 4.833 125.387 120.570 -0.026 0.000 2.436 161 I HA -0.033 4.132 4.170 -0.009 0.000 0.289 161 I C 1.356 177.452 176.117 -0.035 0.000 1.083 161 I CA 0.087 61.367 61.300 -0.033 0.000 1.372 161 I CB 1.090 39.066 38.000 -0.038 0.000 1.408 161 I HN 0.774 nan 8.210 nan 0.000 0.516 162 T N 0.138 114.665 114.554 -0.044 0.000 3.010 162 T HA 0.223 4.568 4.350 -0.009 0.000 0.257 162 T C 0.327 174.988 174.700 -0.066 0.000 1.020 162 T CA 0.006 62.074 62.100 -0.053 0.000 0.938 162 T CB 0.173 69.005 68.868 -0.060 0.000 1.049 162 T HN 0.632 nan 8.240 nan 0.000 0.522 163 S N 0.743 116.405 115.700 -0.064 0.000 2.586 163 S HA 0.673 5.138 4.470 -0.009 0.000 0.277 163 S C -1.247 173.324 174.600 -0.049 0.000 1.131 163 S CA -1.063 57.097 58.200 -0.066 0.000 0.848 163 S CB 1.162 64.300 63.200 -0.104 0.000 1.091 163 S HN 0.921 nan 8.310 nan 0.000 0.453 164 I N -1.696 118.858 120.570 -0.027 0.000 3.263 164 I HA 0.981 5.146 4.170 -0.009 0.000 0.314 164 I C -2.063 174.072 176.117 0.031 0.000 1.269 164 I CA -0.755 60.548 61.300 0.004 0.000 0.942 164 I CB 2.219 40.240 38.000 0.035 0.000 1.305 164 I HN 0.758 nan 8.210 nan 0.000 0.474 165 D N 0.483 120.934 120.400 0.085 0.000 2.745 165 D HA 0.623 5.257 4.640 -0.009 0.000 0.221 165 D C -1.330 175.194 176.300 0.373 0.000 1.237 165 D CA 0.241 54.349 54.000 0.180 0.000 0.781 165 D CB 2.368 43.231 40.800 0.106 0.000 1.575 165 D HN 1.043 nan 8.370 nan 0.000 0.482 166 T N -0.406 114.403 114.554 0.425 0.000 2.838 166 T HA 0.709 5.054 4.350 -0.009 0.000 0.292 166 T C -1.444 173.424 174.700 0.279 0.000 1.113 166 T CA -0.878 61.475 62.100 0.423 0.000 1.008 166 T CB 2.083 71.102 68.868 0.251 0.000 1.259 166 T HN 0.267 nan 8.240 nan 0.000 0.520 167 D N -0.765 119.670 120.400 0.057 0.000 2.936 167 D HA 0.437 5.072 4.640 -0.009 0.000 0.238 167 D C 1.166 177.457 176.300 -0.016 0.000 1.248 167 D CA -0.406 53.556 54.000 -0.063 0.000 0.903 167 D CB 2.284 42.853 40.800 -0.386 0.000 1.544 167 D HN 0.725 nan 8.370 nan 0.000 0.543 168 A N 2.747 125.571 122.820 0.008 0.000 2.009 168 A HA -0.225 4.089 4.320 -0.009 0.000 0.222 168 A C 1.827 179.420 177.584 0.016 0.000 1.175 168 A CA 2.539 54.578 52.037 0.004 0.000 0.651 168 A CB -0.399 18.541 19.000 -0.099 0.000 0.815 168 A HN 0.598 nan 8.150 nan 0.000 0.459 169 S N -2.345 113.374 115.700 0.031 0.000 2.556 169 S HA 0.440 4.905 4.470 -0.009 0.000 0.216 169 S C 0.173 174.755 174.600 -0.030 0.000 0.970 169 S CA -0.340 57.875 58.200 0.025 0.000 0.912 169 S CB -0.149 63.098 63.200 0.079 0.000 0.790 169 S HN 0.112 nan 8.310 nan 0.000 0.504 170 L N 2.139 123.319 121.223 -0.071 0.000 2.334 170 L HA 0.535 4.870 4.340 -0.009 0.000 0.272 170 L C 0.525 177.354 176.870 -0.069 0.000 1.020 170 L CA -0.236 54.557 54.840 -0.078 0.000 0.812 170 L CB 1.246 43.174 42.059 -0.218 0.000 1.264 170 L HN -0.009 nan 8.230 nan 0.000 0.439 171 D N 0.428 120.724 120.400 -0.174 0.000 2.349 171 D HA -0.009 4.626 4.640 -0.009 0.000 0.215 171 D C -0.347 175.588 176.300 -0.609 0.000 1.016 171 D CA 0.564 54.299 54.000 -0.441 0.000 0.870 171 D CB 0.148 40.540 40.800 -0.679 0.000 0.917 171 D HN 0.333 nan 8.370 nan 0.000 0.524 172 W N 0.922 122.236 121.300 0.022 0.000 2.496 172 W HA 0.498 5.153 4.660 -0.009 0.000 0.327 172 W C 0.258 176.943 176.519 0.276 0.000 1.086 172 W CA -1.033 56.392 57.345 0.134 0.000 1.222 172 W CB 1.020 30.614 29.460 0.224 0.000 1.304 172 W HN -0.337 nan 8.180 nan 0.000 0.547 173 M N 3.806 123.695 119.600 0.481 0.000 2.253 173 M HA 0.520 4.995 4.480 -0.009 0.000 0.314 173 M C -1.667 174.835 176.300 0.338 0.000 1.019 173 M CA -0.475 55.070 55.300 0.408 0.000 0.932 173 M CB 0.970 33.762 32.600 0.320 0.000 1.606 173 M HN 0.399 nan 8.290 nan 0.000 0.430 174 L N 6.108 127.459 121.223 0.213 0.000 2.326 174 L HA 0.539 4.874 4.340 -0.009 0.000 0.278 174 L C -0.762 176.128 176.870 0.032 0.000 1.092 174 L CA -0.424 54.432 54.840 0.027 0.000 0.810 174 L CB 1.107 43.019 42.059 -0.244 0.000 1.153 174 L HN 0.695 nan 8.230 nan 0.000 0.439 175 I N 2.173 122.760 120.570 0.028 0.000 2.468 175 I HA 0.376 4.541 4.170 -0.009 0.000 0.285 175 I C 0.361 176.464 176.117 -0.023 0.000 1.039 175 I CA -0.387 60.919 61.300 0.010 0.000 1.074 175 I CB 1.915 39.936 38.000 0.035 0.000 1.228 175 I HN 0.626 nan 8.210 nan 0.000 0.436 176 G N 6.709 115.476 108.800 -0.056 0.000 2.400 176 G HA2 0.753 4.708 3.960 -0.009 0.000 0.301 176 G HA3 0.753 4.708 3.960 -0.009 0.000 0.301 176 G C -0.692 174.175 174.900 -0.056 0.000 1.154 176 G CA -0.401 44.650 45.100 -0.081 0.000 0.852 176 G HN 0.426 nan 8.290 nan 0.000 0.511 177 L N 0.343 121.541 121.223 -0.042 0.000 2.286 177 L HA 0.364 4.699 4.340 -0.009 0.000 0.265 177 L C 1.442 178.304 176.870 -0.015 0.000 1.012 177 L CA -0.954 53.873 54.840 -0.022 0.000 0.818 177 L CB 1.961 44.018 42.059 -0.004 0.000 1.337 177 L HN 0.550 nan 8.230 nan 0.000 0.438 178 Q N 1.701 121.497 119.800 -0.006 0.000 2.135 178 Q HA -0.201 4.133 4.340 -0.009 0.000 0.204 178 Q C 1.357 177.372 176.000 0.025 0.000 0.981 178 Q CA 2.279 58.084 55.803 0.003 0.000 0.856 178 Q CB -0.199 28.541 28.738 0.004 0.000 0.902 178 Q HN 0.729 nan 8.270 nan 0.000 0.425 179 N N -0.912 117.805 118.700 0.029 0.000 2.515 179 N HA 0.071 4.806 4.740 -0.009 0.000 0.191 179 N C 0.856 176.412 175.510 0.078 0.000 1.182 179 N CA 0.928 54.006 53.050 0.046 0.000 0.879 179 N CB -0.202 38.306 38.487 0.033 0.000 0.984 179 N HN 0.357 nan 8.380 nan 0.000 0.453 180 G N -1.545 107.309 108.800 0.089 0.000 2.179 180 G HA2 -0.294 3.661 3.960 -0.009 0.000 0.260 180 G HA3 -0.294 3.661 3.960 -0.009 0.000 0.260 180 G C -0.036 174.964 174.900 0.166 0.000 0.977 180 G CA 0.439 45.650 45.100 0.185 0.000 0.641 180 G HN 0.487 nan 8.290 nan 0.000 0.533 181 S N -0.128 115.615 115.700 0.071 0.000 2.652 181 S HA 0.748 5.213 4.470 -0.009 0.000 0.270 181 S C 0.173 174.775 174.600 0.003 0.000 1.243 181 S CA 0.061 58.284 58.200 0.038 0.000 0.999 181 S CB 1.597 64.808 63.200 0.018 0.000 0.973 181 S HN 0.520 nan 8.310 nan 0.000 0.544 182 M N 3.418 123.012 119.600 -0.010 0.000 2.204 182 M HA 0.547 5.022 4.480 -0.009 0.000 0.293 182 M C -1.433 174.886 176.300 0.031 0.000 0.994 182 M CA -0.637 54.655 55.300 -0.013 0.000 0.925 182 M CB 0.737 33.312 32.600 -0.041 0.000 1.577 182 M HN 0.786 nan 8.290 nan 0.000 0.439 183 I N 2.128 122.732 120.570 0.056 0.000 2.910 183 I HA 0.867 5.032 4.170 -0.009 0.000 0.310 183 I C -1.425 174.785 176.117 0.154 0.000 1.043 183 I CA -1.010 60.355 61.300 0.109 0.000 1.053 183 I CB 2.196 40.252 38.000 0.093 0.000 1.242 183 I HN 0.413 nan 8.210 nan 0.000 0.452 184 V N 2.986 123.033 119.914 0.221 0.000 2.588 184 V HA 0.365 4.480 4.120 -0.009 0.000 0.304 184 V C -1.269 175.063 176.094 0.397 0.000 1.042 184 V CA -0.564 61.904 62.300 0.280 0.000 0.877 184 V CB 1.623 33.578 31.823 0.219 0.000 0.996 184 V HN 0.686 nan 8.190 nan 0.000 0.425 185 Y N 2.725 123.190 120.300 0.276 0.000 2.352 185 Y HA 0.521 5.066 4.550 -0.009 0.000 0.339 185 Y C -0.090 175.911 175.900 0.169 0.000 0.992 185 Y CA -1.066 57.156 58.100 0.203 0.000 1.100 185 Y CB 1.637 40.154 38.460 0.096 0.000 1.192 185 Y HN 0.714 nan 8.280 nan 0.000 0.458 186 D N 6.804 126.814 120.400 -0.649 0.000 2.422 186 D HA 0.132 4.767 4.640 -0.009 0.000 0.227 186 D C 1.159 176.731 176.300 -1.214 0.000 1.190 186 D CA 0.351 53.754 54.000 -0.995 0.000 0.905 186 D CB 0.291 40.603 40.800 -0.813 0.000 1.034 186 D HN 0.813 nan 8.370 nan 0.000 0.507 187 I N 2.098 122.125 120.570 -0.904 0.000 2.163 187 I HA -0.266 3.899 4.170 -0.009 0.000 0.243 187 I C 1.858 177.636 176.117 -0.566 0.000 1.085 187 I CA 1.022 61.959 61.300 -0.605 0.000 1.347 187 I CB -0.039 37.744 38.000 -0.361 0.000 1.044 187 I HN 0.332 nan 8.210 nan 0.000 0.408 188 D N 0.526 120.591 120.400 -0.559 0.000 2.178 188 D HA -0.154 4.481 4.640 -0.009 0.000 0.202 188 D C 1.943 178.096 176.300 -0.245 0.000 0.974 188 D CA 1.149 54.957 54.000 -0.321 0.000 0.841 188 D CB 0.195 40.859 40.800 -0.227 0.000 0.953 188 D HN 0.048 nan 8.370 nan 0.000 0.478 189 R N -0.075 120.186 120.500 -0.398 0.000 2.397 189 R HA 0.180 4.515 4.340 -0.009 0.000 0.241 189 R C -0.513 175.565 176.300 -0.369 0.000 0.914 189 R CA 0.137 56.010 56.100 -0.378 0.000 1.071 189 R CB 0.239 30.366 30.300 -0.288 0.000 1.116 189 R HN -0.015 nan 8.270 nan 0.000 0.524 190 D N 1.399 121.579 120.400 -0.367 0.000 2.927 190 D HA -0.184 4.451 4.640 -0.009 0.000 0.236 190 D C -1.107 175.138 176.300 -0.091 0.000 1.163 190 D CA 0.906 54.806 54.000 -0.166 0.000 0.801 190 D CB -0.317 40.464 40.800 -0.032 0.000 0.975 190 D HN 0.092 nan 8.370 nan 0.000 0.413 191 Q N 0.581 120.270 119.800 -0.186 0.000 2.386 191 Q HA 0.379 4.713 4.340 -0.009 0.000 0.274 191 Q C -0.195 175.852 176.000 0.077 0.000 1.011 191 Q CA -0.739 55.062 55.803 -0.002 0.000 0.867 191 Q CB 1.526 30.247 28.738 -0.028 0.000 1.409 191 Q HN 0.308 nan 8.270 nan 0.000 0.395 192 L N 0.839 122.182 121.223 0.200 0.000 2.418 192 L HA 0.368 4.703 4.340 -0.009 0.000 0.265 192 L C 0.821 177.824 176.870 0.222 0.000 1.143 192 L CA -0.082 54.911 54.840 0.256 0.000 0.809 192 L CB 1.295 43.480 42.059 0.212 0.000 1.124 192 L HN 0.566 nan 8.230 nan 0.000 0.456 193 S N -0.025 115.836 115.700 0.269 0.000 2.632 193 S HA 0.127 4.592 4.470 -0.009 0.000 0.271 193 S C 1.051 175.756 174.600 0.174 0.000 1.260 193 S CA -0.190 58.156 58.200 0.243 0.000 1.010 193 S CB 1.393 64.733 63.200 0.233 0.000 0.965 193 S HN 0.697 nan 8.310 nan 0.000 0.534 194 S N 2.683 118.469 115.700 0.144 0.000 2.527 194 S HA 0.113 4.578 4.470 -0.009 0.000 0.222 194 S C 0.363 175.019 174.600 0.092 0.000 0.985 194 S CA -0.258 58.000 58.200 0.098 0.000 0.921 194 S CB -0.525 62.719 63.200 0.074 0.000 0.772 194 S HN 0.633 nan 8.310 nan 0.000 0.529 195 F N 3.258 123.206 119.950 -0.004 0.000 2.506 195 F HA 0.453 4.975 4.527 -0.008 0.000 0.371 195 F C 0.224 176.015 175.800 -0.015 0.000 1.078 195 F CA 0.033 58.019 58.000 -0.023 0.000 1.195 195 F CB 0.387 39.348 39.000 -0.065 0.000 1.099 195 F HN 0.032 nan 8.300 nan 0.000 0.548 196 K N 7.378 127.534 120.400 -0.407 0.000 2.525 196 K HA 0.474 4.789 4.320 -0.009 0.000 0.254 196 K C -2.014 174.367 176.600 -0.365 0.000 0.934 196 K CA -0.737 55.415 56.287 -0.226 0.000 0.802 196 K CB 1.483 33.923 32.500 -0.101 0.000 1.295 196 K HN 0.701 nan 8.250 nan 0.000 0.433 197 L N 3.284 124.372 121.223 -0.226 0.000 2.322 197 L HA 0.359 4.694 4.340 -0.009 0.000 0.281 197 L C -0.236 176.577 176.870 -0.094 0.000 1.014 197 L CA -0.943 53.765 54.840 -0.220 0.000 0.815 197 L CB 1.716 43.631 42.059 -0.240 0.000 1.247 197 L HN 0.690 nan 8.230 nan 0.000 0.421 198 D N 1.259 121.614 120.400 -0.075 0.000 2.433 198 D HA 0.032 4.667 4.640 -0.009 0.000 0.255 198 D C 0.287 176.605 176.300 0.030 0.000 1.226 198 D CA -0.211 53.777 54.000 -0.020 0.000 1.015 198 D CB 0.585 41.367 40.800 -0.029 0.000 1.091 198 D HN 0.324 nan 8.370 nan 0.000 0.527 199 N N 1.367 120.092 118.700 0.042 0.000 2.406 199 N HA -0.032 4.703 4.740 -0.009 0.000 0.274 199 N C 1.017 176.475 175.510 -0.085 0.000 1.249 199 N CA 0.032 53.111 53.050 0.048 0.000 0.951 199 N CB 0.208 38.722 38.487 0.044 0.000 1.241 199 N HN 0.318 nan 8.380 nan 0.000 0.485 200 L N 2.368 123.496 121.223 -0.159 0.000 2.201 200 L HA -0.173 4.162 4.340 -0.009 0.000 0.212 200 L C 2.412 179.201 176.870 -0.135 0.000 1.105 200 L CA 0.878 55.651 54.840 -0.111 0.000 0.775 200 L CB -0.259 41.834 42.059 0.057 0.000 0.913 200 L HN 0.617 nan 8.230 nan 0.000 0.440 201 Q N 1.105 120.536 119.800 -0.614 0.000 2.046 201 Q HA -0.260 4.075 4.340 -0.009 0.000 0.200 201 Q C 2.288 178.318 176.000 0.050 0.000 0.975 201 Q CA 1.756 57.431 55.803 -0.214 0.000 0.836 201 Q CB 0.064 28.582 28.738 -0.366 0.000 0.896 201 Q HN 0.333 nan 8.270 nan 0.000 0.428 202 K N -0.065 120.318 120.400 -0.029 0.000 2.097 202 K HA -0.122 4.192 4.320 -0.009 0.000 0.205 202 K C 2.150 178.745 176.600 -0.008 0.000 1.050 202 K CA 1.583 57.884 56.287 0.024 0.000 0.938 202 K CB -0.094 32.415 32.500 0.015 0.000 0.718 202 K HN 0.320 nan 8.250 nan 0.000 0.442 203 S N -1.184 114.494 115.700 -0.036 0.000 2.470 203 S HA 0.034 4.499 4.470 -0.009 0.000 0.225 203 S C 1.460 175.978 174.600 -0.137 0.000 1.006 203 S CA 0.941 59.101 58.200 -0.066 0.000 0.934 203 S CB 0.421 63.590 63.200 -0.053 0.000 0.778 203 S HN 0.191 nan 8.310 nan 0.000 0.517 204 S N -0.623 114.962 115.700 -0.191 0.000 2.649 204 S HA 0.467 4.932 4.470 -0.009 0.000 0.246 204 S C 0.345 174.362 174.600 -0.971 0.000 1.057 204 S CA -0.441 57.424 58.200 -0.558 0.000 1.051 204 S CB 0.092 62.870 63.200 -0.703 0.000 1.018 204 S HN 0.537 nan 8.310 nan 0.000 0.569 205 F N -0.401 119.394 119.950 -0.259 0.000 2.496 205 F HA 0.498 5.020 4.527 -0.008 0.000 0.274 205 F C -0.276 175.039 175.800 -0.809 0.000 0.924 205 F CA -0.428 57.258 58.000 -0.524 0.000 1.147 205 F CB 0.497 39.206 39.000 -0.487 0.000 0.969 205 F HN -0.019 nan 8.300 nan 0.000 0.749 206 F N 1.090 121.111 119.950 0.117 0.000 2.686 206 F HA 0.437 4.958 4.527 -0.009 0.000 0.365 206 F C -2.247 173.549 175.800 -0.007 0.000 1.196 206 F CA -2.233 55.783 58.000 0.028 0.000 1.198 206 F CB 0.779 39.786 39.000 0.011 0.000 1.454 206 F HN -0.223 nan 8.300 nan 0.000 0.539 207 P HA -0.112 nan 4.420 nan 0.000 0.217 207 P C 1.498 178.826 177.300 0.047 0.000 1.151 207 P CA 1.249 64.370 63.100 0.035 0.000 0.828 207 P CB 0.390 32.082 31.700 -0.013 0.000 0.788 208 A N -0.824 122.030 122.820 0.056 0.000 2.167 208 A HA 0.343 4.658 4.320 -0.009 0.000 0.214 208 A C 1.322 178.923 177.584 0.028 0.000 1.151 208 A CA 0.476 52.533 52.037 0.034 0.000 0.735 208 A CB -1.108 17.908 19.000 0.025 0.000 0.802 208 A HN 0.232 nan 8.150 nan 0.000 0.467 209 A N -0.132 122.719 122.820 0.052 0.000 2.332 209 A HA 0.489 4.803 4.320 -0.009 0.000 0.258 209 A C 0.668 178.261 177.584 0.015 0.000 1.087 209 A CA -0.536 51.493 52.037 -0.014 0.000 0.802 209 A CB 0.016 18.967 19.000 -0.081 0.000 1.042 209 A HN 0.525 nan 8.150 nan 0.000 0.489 210 R N -0.133 120.369 120.500 0.003 0.000 2.640 210 R HA 0.091 4.425 4.340 -0.009 0.000 0.270 210 R C -0.324 176.017 176.300 0.069 0.000 1.024 210 R CA -0.350 55.772 56.100 0.037 0.000 1.085 210 R CB -0.000 30.326 30.300 0.045 0.000 0.963 210 R HN 0.600 nan 8.270 nan 0.000 0.426 211 L N 3.703 124.962 121.223 0.061 0.000 2.638 211 L HA -0.004 4.331 4.340 -0.009 0.000 0.273 211 L C -0.177 176.752 176.870 0.098 0.000 1.147 211 L CA 1.094 55.977 54.840 0.073 0.000 0.941 211 L CB 0.465 42.557 42.059 0.054 0.000 1.251 211 L HN 0.525 nan 8.230 nan 0.000 0.479 212 S N 7.510 123.293 115.700 0.139 0.000 2.565 212 S HA 0.593 5.058 4.470 -0.009 0.000 0.274 212 S C -2.293 172.423 174.600 0.194 0.000 1.309 212 S CA -1.252 57.053 58.200 0.176 0.000 1.043 212 S CB 0.720 64.071 63.200 0.251 0.000 0.939 212 S HN 0.610 nan 8.310 nan 0.000 0.504 213 P HA 0.377 nan 4.420 nan 0.000 0.281 213 P C -0.701 176.584 177.300 -0.024 0.000 1.281 213 P CA -0.749 62.380 63.100 0.050 0.000 0.811 213 P CB 0.659 32.358 31.700 -0.000 0.000 1.154 214 I N 1.041 121.524 120.570 -0.146 0.000 2.337 214 I HA 0.020 4.185 4.170 -0.009 0.000 0.291 214 I C 1.773 177.741 176.117 -0.248 0.000 1.046 214 I CA -0.332 60.749 61.300 -0.365 0.000 1.324 214 I CB 1.263 39.036 38.000 -0.378 0.000 1.409 214 I HN 0.073 nan 8.210 nan 0.000 0.494 215 V N 4.736 124.490 119.914 -0.266 0.000 2.591 215 V HA -0.067 4.048 4.120 -0.009 0.000 0.249 215 V C 0.734 176.712 176.094 -0.193 0.000 1.053 215 V CA 1.313 63.493 62.300 -0.201 0.000 1.068 215 V CB -0.098 31.603 31.823 -0.202 0.000 0.689 215 V HN 0.917 nan 8.190 nan 0.000 0.462 216 S N -1.370 114.196 115.700 -0.224 0.000 2.565 216 S HA 0.675 5.140 4.470 -0.009 0.000 0.274 216 S C -1.314 173.171 174.600 -0.192 0.000 1.144 216 S CA -0.803 57.288 58.200 -0.182 0.000 0.849 216 S CB 1.823 64.922 63.200 -0.167 0.000 1.103 216 S HN 0.058 nan 8.310 nan 0.000 0.455 217 I N 1.219 121.700 120.570 -0.148 0.000 2.769 217 I HA 0.661 4.826 4.170 -0.009 0.000 0.298 217 I C -0.767 175.294 176.117 -0.092 0.000 1.128 217 I CA -0.440 60.768 61.300 -0.153 0.000 1.031 217 I CB 2.397 40.288 38.000 -0.182 0.000 1.235 217 I HN 0.837 nan 8.210 nan 0.000 0.423 218 Q N 3.827 123.587 119.800 -0.067 0.000 2.320 218 Q HA 0.325 4.660 4.340 -0.009 0.000 0.272 218 Q C -2.136 173.949 176.000 0.141 0.000 1.023 218 Q CA -0.664 55.181 55.803 0.070 0.000 0.855 218 Q CB 1.955 30.783 28.738 0.150 0.000 1.367 218 Q HN 0.550 nan 8.270 nan 0.000 0.406 219 W N 2.849 124.228 121.300 0.130 0.000 2.216 219 W HA 0.212 4.866 4.660 -0.009 0.000 0.326 219 W C 0.953 177.499 176.519 0.046 0.000 1.319 219 W CA -0.007 57.393 57.345 0.091 0.000 1.213 219 W CB 0.485 29.974 29.460 0.047 0.000 1.171 219 W HN 0.496 nan 8.180 nan 0.000 0.557 220 N N 4.355 123.166 118.700 0.186 0.000 2.447 220 N HA -0.034 4.701 4.740 -0.009 0.000 0.263 220 N C -1.501 173.843 175.510 -0.275 0.000 1.226 220 N CA -0.768 52.022 53.050 -0.435 0.000 0.906 220 N CB 1.197 39.450 38.487 -0.389 0.000 1.060 220 N HN 0.097 nan 8.380 nan 0.000 0.468 221 P HA -0.101 nan 4.420 nan 0.000 0.217 221 P C 0.224 177.329 177.300 -0.324 0.000 1.148 221 P CA 1.593 64.542 63.100 -0.251 0.000 0.828 221 P CB 0.254 31.867 31.700 -0.145 0.000 0.783 222 R N -2.057 118.263 120.500 -0.300 0.000 2.535 222 R HA 0.202 4.537 4.340 -0.009 0.000 0.323 222 R C -0.262 175.891 176.300 -0.245 0.000 0.979 222 R CA 0.008 55.945 56.100 -0.271 0.000 1.120 222 R CB 0.453 30.629 30.300 -0.207 0.000 1.306 222 R HN 0.045 nan 8.270 nan 0.000 0.540 223 D N 0.736 121.013 120.400 -0.206 0.000 2.319 223 D HA 0.047 4.681 4.640 -0.009 0.000 0.237 223 D C 0.876 177.150 176.300 -0.043 0.000 1.353 223 D CA -0.506 53.407 54.000 -0.146 0.000 0.992 223 D CB 0.708 41.438 40.800 -0.118 0.000 1.368 223 D HN 0.143 nan 8.370 nan 0.000 0.564 224 I N 0.408 120.944 120.570 -0.058 0.000 2.800 224 I HA 0.106 4.271 4.170 -0.009 0.000 0.266 224 I C 1.407 177.637 176.117 0.187 0.000 1.249 224 I CA 1.049 62.356 61.300 0.012 0.000 1.458 224 I CB 0.008 37.914 38.000 -0.157 0.000 1.093 224 I HN 0.332 nan 8.210 nan 0.000 0.466 225 G N 0.594 109.454 108.800 0.100 0.000 3.042 225 G HA2 0.160 4.115 3.960 -0.009 0.000 0.212 225 G HA3 0.160 4.115 3.960 -0.009 0.000 0.212 225 G C 0.333 175.304 174.900 0.117 0.000 1.166 225 G CA 0.123 45.282 45.100 0.098 0.000 0.767 225 G HN 0.401 nan 8.290 nan 0.000 0.546 226 T N 0.207 114.851 114.554 0.150 0.000 2.841 226 T HA 0.584 4.929 4.350 -0.009 0.000 0.283 226 T C -0.892 173.929 174.700 0.202 0.000 1.000 226 T CA -0.369 61.828 62.100 0.161 0.000 0.977 226 T CB 2.751 71.709 68.868 0.150 0.000 0.979 226 T HN -0.120 nan 8.240 nan 0.000 0.446 227 V N 3.146 123.169 119.914 0.181 0.000 2.735 227 V HA 0.565 4.680 4.120 -0.009 0.000 0.310 227 V C -0.871 175.319 176.094 0.160 0.000 1.061 227 V CA -1.003 61.363 62.300 0.109 0.000 0.913 227 V CB 2.110 33.851 31.823 -0.136 0.000 1.005 227 V HN 0.719 nan 8.190 nan 0.000 0.428 228 L N 5.616 126.911 121.223 0.120 0.000 2.272 228 L HA 0.664 4.999 4.340 -0.009 0.000 0.289 228 L C -0.693 176.113 176.870 -0.106 0.000 1.032 228 L CA 0.358 55.159 54.840 -0.066 0.000 0.810 228 L CB 0.646 42.499 42.059 -0.345 0.000 1.205 228 L HN 0.536 nan 8.230 nan 0.000 0.422 229 I N 3.976 124.487 120.570 -0.098 0.000 2.466 229 I HA 0.402 4.566 4.170 -0.009 0.000 0.289 229 I C -0.233 175.769 176.117 -0.193 0.000 1.026 229 I CA -0.398 60.802 61.300 -0.167 0.000 1.078 229 I CB 1.951 39.864 38.000 -0.145 0.000 1.249 229 I HN 0.504 nan 8.210 nan 0.000 0.429 230 S N 4.372 119.901 115.700 -0.285 0.000 2.472 230 S HA 0.664 5.129 4.470 -0.009 0.000 0.303 230 S C -0.975 173.408 174.600 -0.360 0.000 1.099 230 S CA -0.384 57.669 58.200 -0.246 0.000 1.077 230 S CB 1.107 64.163 63.200 -0.239 0.000 1.031 230 S HN 0.319 nan 8.310 nan 0.000 0.487 231 Y N 0.852 121.077 120.300 -0.126 0.000 2.699 231 Y HA 0.344 4.889 4.550 -0.008 0.000 0.326 231 Y C 1.762 177.570 175.900 -0.153 0.000 1.141 231 Y CA -0.864 57.179 58.100 -0.095 0.000 1.246 231 Y CB 0.533 38.976 38.460 -0.028 0.000 1.426 231 Y HN 0.646 nan 8.280 nan 0.000 0.559 232 E N -0.456 119.741 120.200 -0.006 0.000 2.110 232 E HA -0.190 4.155 4.350 -0.009 0.000 0.193 232 E C 0.299 176.537 176.600 -0.603 0.000 0.988 232 E CA 1.783 57.966 56.400 -0.362 0.000 0.804 232 E CB -0.053 29.350 29.700 -0.496 0.000 0.745 232 E HN 0.621 nan 8.360 nan 0.000 0.458 233 Y N -0.989 119.317 120.300 0.010 0.000 2.500 233 Y HA 0.341 4.886 4.550 -0.008 0.000 0.246 233 Y C 0.066 176.045 175.900 0.132 0.000 1.146 233 Y CA -0.405 57.679 58.100 -0.027 0.000 1.230 233 Y CB 1.525 39.734 38.460 -0.417 0.000 1.214 233 Y HN -0.176 nan 8.280 nan 0.000 0.526 234 V N -0.283 119.746 119.914 0.191 0.000 2.969 234 V HA 0.608 4.723 4.120 -0.009 0.000 0.304 234 V C -1.059 175.024 176.094 -0.018 0.000 1.192 234 V CA -0.227 62.102 62.300 0.048 0.000 0.962 234 V CB 2.292 34.007 31.823 -0.181 0.000 1.045 234 V HN 0.045 nan 8.190 nan 0.000 0.428 235 T N 6.964 121.466 114.554 -0.087 0.000 2.887 235 T HA 0.895 5.239 4.350 -0.009 0.000 0.288 235 T C -1.059 173.650 174.700 0.014 0.000 1.021 235 T CA -0.365 61.699 62.100 -0.061 0.000 1.000 235 T CB 1.388 70.157 68.868 -0.164 0.000 1.034 235 T HN 1.185 nan 8.240 nan 0.000 0.467 236 L N -0.476 120.781 121.223 0.056 0.000 2.582 236 L HA 0.840 5.175 4.340 -0.009 0.000 0.257 236 L C -0.231 176.735 176.870 0.161 0.000 0.974 236 L CA -1.000 53.910 54.840 0.117 0.000 0.851 236 L CB 1.034 43.116 42.059 0.039 0.000 1.424 236 L HN 0.632 nan 8.230 nan 0.000 0.412 237 T N -1.297 113.383 114.554 0.210 0.000 2.837 237 T HA 0.681 5.026 4.350 -0.009 0.000 0.285 237 T C -0.956 173.886 174.700 0.236 0.000 0.984 237 T CA -0.310 61.914 62.100 0.208 0.000 1.049 237 T CB 1.013 70.023 68.868 0.237 0.000 0.947 237 T HN 0.668 nan 8.240 nan 0.000 0.472 238 Y N 1.685 122.050 120.300 0.109 0.000 2.391 238 Y HA 0.520 5.065 4.550 -0.009 0.000 0.341 238 Y C -0.013 175.948 175.900 0.102 0.000 0.965 238 Y CA -0.749 57.416 58.100 0.108 0.000 1.067 238 Y CB 2.182 40.707 38.460 0.109 0.000 1.199 238 Y HN 0.843 nan 8.280 nan 0.000 0.450 239 S N 6.269 121.860 115.700 -0.182 0.000 2.430 239 S HA 0.271 4.736 4.470 -0.009 0.000 0.289 239 S C 0.801 175.420 174.600 0.031 0.000 1.143 239 S CA -0.557 57.615 58.200 -0.047 0.000 1.067 239 S CB 0.154 63.307 63.200 -0.079 0.000 0.964 239 S HN 0.874 nan 8.310 nan 0.000 0.485 240 L N 5.025 126.316 121.223 0.112 0.000 2.217 240 L HA -0.015 4.320 4.340 -0.009 0.000 0.211 240 L C 2.086 178.991 176.870 0.059 0.000 1.107 240 L CA 0.549 55.428 54.840 0.065 0.000 0.783 240 L CB -0.516 41.425 42.059 -0.198 0.000 0.919 240 L HN 0.531 nan 8.230 nan 0.000 0.442 241 V N -0.170 119.763 119.914 0.033 0.000 2.346 241 V HA -0.182 3.933 4.120 -0.009 0.000 0.244 241 V C 2.022 178.139 176.094 0.039 0.000 1.037 241 V CA 1.598 63.915 62.300 0.029 0.000 1.029 241 V CB -0.304 31.532 31.823 0.022 0.000 0.663 241 V HN 0.423 nan 8.190 nan 0.000 0.454 242 E N -0.099 120.110 120.200 0.015 0.000 2.489 242 E HA 0.018 4.363 4.350 -0.009 0.000 0.193 242 E C 0.431 177.026 176.600 -0.009 0.000 1.057 242 E CA 0.128 56.527 56.400 -0.002 0.000 0.866 242 E CB -0.063 29.622 29.700 -0.025 0.000 0.916 242 E HN 0.571 nan 8.360 nan 0.000 0.500 243 N N 2.096 120.814 118.700 0.030 0.000 2.705 243 N HA -0.230 4.505 4.740 -0.009 0.000 0.255 243 N C -1.330 174.134 175.510 -0.076 0.000 1.008 243 N CA 1.433 54.552 53.050 0.115 0.000 0.742 243 N CB -0.921 37.676 38.487 0.184 0.000 0.906 243 N HN 0.530 nan 8.380 nan 0.000 0.541 244 E N -1.145 118.741 120.200 -0.524 0.000 2.423 244 E HA 0.427 4.772 4.350 -0.009 0.000 0.280 244 E C -0.753 175.360 176.600 -0.812 0.000 1.030 244 E CA -1.047 55.062 56.400 -0.484 0.000 0.812 244 E CB 0.533 30.129 29.700 -0.173 0.000 1.313 244 E HN 0.141 nan 8.360 nan 0.000 0.456 245 I N 2.175 122.578 120.570 -0.278 0.000 2.533 245 I HA 0.054 4.219 4.170 -0.009 0.000 0.284 245 I C 0.958 177.039 176.117 -0.059 0.000 1.109 245 I CA -0.364 60.916 61.300 -0.035 0.000 1.412 245 I CB 0.570 38.683 38.000 0.187 0.000 1.396 245 I HN 0.493 nan 8.210 nan 0.000 0.543 246 K N 3.740 124.124 120.400 -0.026 0.000 2.168 246 K HA 0.144 4.459 4.320 -0.009 0.000 0.201 246 K C 0.367 176.970 176.600 0.005 0.000 1.049 246 K CA 0.745 57.036 56.287 0.005 0.000 0.974 246 K CB 0.049 32.578 32.500 0.048 0.000 0.792 246 K HN 0.503 nan 8.250 nan 0.000 0.463 247 Q N -0.270 119.514 119.800 -0.027 0.000 2.472 247 Q HA 0.287 4.622 4.340 -0.009 0.000 0.281 247 Q C -1.692 174.056 176.000 -0.420 0.000 0.997 247 Q CA -0.475 55.197 55.803 -0.218 0.000 0.828 247 Q CB 2.007 30.614 28.738 -0.218 0.000 1.443 247 Q HN 0.112 nan 8.270 nan 0.000 0.390 248 S N 0.955 116.235 115.700 -0.699 0.000 2.599 248 S HA 0.940 5.405 4.470 -0.009 0.000 0.294 248 S C -1.200 172.678 174.600 -1.203 0.000 1.094 248 S CA -0.584 57.204 58.200 -0.687 0.000 0.931 248 S CB 1.115 64.176 63.200 -0.231 0.000 1.093 248 S HN 0.372 nan 8.310 nan 0.000 0.488 249 F N 0.261 119.925 119.950 -0.476 0.000 2.617 249 F HA 0.563 5.085 4.527 -0.008 0.000 0.325 249 F C -0.671 174.797 175.800 -0.554 0.000 1.179 249 F CA -0.926 56.542 58.000 -0.886 0.000 0.965 249 F CB 1.346 39.265 39.000 -1.801 0.000 1.232 249 F HN 0.468 nan 8.300 nan 0.000 0.461 250 I N 3.701 124.241 120.570 -0.050 0.000 2.411 250 I HA 0.182 4.347 4.170 -0.009 0.000 0.284 250 I C -1.199 175.233 176.117 0.525 0.000 1.012 250 I CA -1.025 60.423 61.300 0.246 0.000 1.119 250 I CB 1.493 39.650 38.000 0.261 0.000 1.261 250 I HN 0.524 nan 8.210 nan 0.000 0.448 251 Y N 7.116 127.664 120.300 0.414 0.000 2.539 251 Y HA 0.286 4.831 4.550 -0.008 0.000 0.352 251 Y C -0.003 175.971 175.900 0.124 0.000 1.004 251 Y CA -0.427 57.862 58.100 0.315 0.000 1.278 251 Y CB 0.428 38.947 38.460 0.098 0.000 1.136 251 Y HN 0.548 nan 8.280 nan 0.000 0.528 252 E N 6.546 126.701 120.200 -0.074 0.000 2.210 252 E HA 0.492 4.837 4.350 -0.009 0.000 0.266 252 E C -1.793 174.610 176.600 -0.328 0.000 0.883 252 E CA -0.803 55.472 56.400 -0.208 0.000 0.761 252 E CB 1.079 30.771 29.700 -0.012 0.000 1.156 252 E HN 0.759 nan 8.360 nan 0.000 0.412 253 L N 6.073 127.074 121.223 -0.370 0.000 2.296 253 L HA 0.486 4.821 4.340 -0.009 0.000 0.286 253 L C -2.218 174.553 176.870 -0.165 0.000 1.023 253 L CA -2.143 52.527 54.840 -0.282 0.000 0.812 253 L CB 1.445 43.317 42.059 -0.313 0.000 1.223 253 L HN 0.471 nan 8.230 nan 0.000 0.421 254 P HA 0.259 nan 4.420 nan 0.000 0.274 254 P C -2.593 174.622 177.300 -0.141 0.000 1.256 254 P CA -1.630 61.407 63.100 -0.104 0.000 0.795 254 P CB -0.058 31.606 31.700 -0.059 0.000 1.038 255 P HA 0.092 nan 4.420 nan 0.000 0.268 255 P C -0.302 176.786 177.300 -0.354 0.000 1.205 255 P CA 0.543 63.381 63.100 -0.437 0.000 0.771 255 P CB -0.265 31.027 31.700 -0.681 0.000 0.858 256 F N -1.516 118.422 119.950 -0.020 0.000 2.699 256 F HA -0.270 4.252 4.527 -0.009 0.000 0.343 256 F C 0.662 176.438 175.800 -0.040 0.000 0.633 256 F CA -0.040 57.952 58.000 -0.014 0.000 1.365 256 F CB -1.828 37.171 39.000 -0.001 0.000 1.795 256 F HN 0.307 nan 8.300 nan 0.000 0.304 257 A N 1.483 124.340 122.820 0.061 0.000 2.320 257 A HA 0.487 4.802 4.320 -0.009 0.000 0.287 257 A C -0.835 176.704 177.584 -0.076 0.000 1.181 257 A CA -0.933 51.091 52.037 -0.022 0.000 0.831 257 A CB 0.404 19.368 19.000 -0.059 0.000 1.102 257 A HN 0.014 nan 8.150 nan 0.000 0.513 258 P HA -0.109 nan 4.420 nan 0.000 0.215 258 P C 1.072 178.279 177.300 -0.155 0.000 1.157 258 P CA 1.915 64.819 63.100 -0.327 0.000 0.868 258 P CB -0.114 31.039 31.700 -0.912 0.000 0.788 259 G N -0.606 108.125 108.800 -0.115 0.000 2.642 259 G HA2 -0.035 3.920 3.960 -0.009 0.000 0.231 259 G HA3 -0.035 3.920 3.960 -0.009 0.000 0.231 259 G C 0.256 175.170 174.900 0.022 0.000 1.338 259 G CA -0.449 44.641 45.100 -0.018 0.000 0.883 259 G HN 0.546 nan 8.290 nan 0.000 0.570 260 G N -1.093 107.761 108.800 0.090 0.000 2.606 260 G HA2 0.448 4.403 3.960 -0.009 0.000 0.252 260 G HA3 0.448 4.403 3.960 -0.009 0.000 0.252 260 G C 0.877 175.858 174.900 0.135 0.000 1.206 260 G CA 0.851 46.029 45.100 0.129 0.000 0.861 260 G HN 0.711 nan 8.290 nan 0.000 0.561 261 D N 0.099 120.592 120.400 0.155 0.000 2.203 261 D HA -0.143 4.492 4.640 -0.009 0.000 0.199 261 D C 1.188 177.425 176.300 -0.105 0.000 0.997 261 D CA 1.379 55.404 54.000 0.041 0.000 0.863 261 D CB 0.010 40.824 40.800 0.023 0.000 0.928 261 D HN 0.344 nan 8.370 nan 0.000 0.458 262 F N 0.532 120.529 119.950 0.078 0.000 2.668 262 F HA 0.166 4.687 4.527 -0.009 0.000 0.297 262 F C 1.113 176.948 175.800 0.058 0.000 1.124 262 F CA -0.397 57.643 58.000 0.066 0.000 1.353 262 F CB 0.302 39.340 39.000 0.062 0.000 0.992 262 F HN -0.332 nan 8.300 nan 0.000 0.524 263 S N 1.042 116.844 115.700 0.170 0.000 2.562 263 S HA 0.153 4.618 4.470 -0.009 0.000 0.281 263 S C 0.135 174.788 174.600 0.089 0.000 1.333 263 S CA -0.146 58.123 58.200 0.114 0.000 1.052 263 S CB 0.428 63.669 63.200 0.068 0.000 0.884 263 S HN 0.323 nan 8.310 nan 0.000 0.506 264 E N 2.006 122.251 120.200 0.074 0.000 2.244 264 E HA 0.312 4.657 4.350 -0.009 0.000 0.266 264 E C -0.749 175.875 176.600 0.040 0.000 0.914 264 E CA -0.878 55.559 56.400 0.061 0.000 0.794 264 E CB 1.167 30.905 29.700 0.064 0.000 1.210 264 E HN 0.621 nan 8.360 nan 0.000 0.414 265 K N 0.876 121.300 120.400 0.041 0.000 3.451 265 K HA -0.185 4.130 4.320 -0.009 0.000 0.273 265 K C 0.458 177.072 176.600 0.023 0.000 0.944 265 K CA 0.324 56.630 56.287 0.031 0.000 0.734 265 K CB -1.439 31.069 32.500 0.013 0.000 1.437 265 K HN 0.572 nan 8.250 nan 0.000 0.454 266 T N 0.245 114.831 114.554 0.053 0.000 2.946 266 T HA -0.173 4.172 4.350 -0.009 0.000 0.271 266 T C 1.500 176.235 174.700 0.058 0.000 1.104 266 T CA 1.778 63.913 62.100 0.059 0.000 1.114 266 T CB -0.274 68.660 68.868 0.110 0.000 0.867 266 T HN 0.630 nan 8.240 nan 0.000 0.513 267 N N 1.887 120.623 118.700 0.060 0.000 2.331 267 N HA -0.069 4.666 4.740 -0.009 0.000 0.180 267 N C 0.730 176.068 175.510 -0.287 0.000 1.019 267 N CA 0.433 53.467 53.050 -0.026 0.000 0.881 267 N CB -0.192 38.361 38.487 0.109 0.000 0.972 267 N HN 0.687 nan 8.380 nan 0.000 0.435 268 E N -0.405 119.697 120.200 -0.164 0.000 2.284 268 E HA 0.236 4.581 4.350 -0.009 0.000 0.255 268 E C -0.665 175.837 176.600 -0.164 0.000 1.052 268 E CA -1.175 55.120 56.400 -0.174 0.000 0.904 268 E CB 1.014 30.654 29.700 -0.100 0.000 1.217 268 E HN 0.015 nan 8.360 nan 0.000 0.438 269 K N 0.499 120.815 120.400 -0.140 0.000 2.249 269 K HA 0.249 4.564 4.320 -0.009 0.000 0.280 269 K C -0.779 175.760 176.600 -0.102 0.000 1.033 269 K CA -0.283 55.931 56.287 -0.122 0.000 0.946 269 K CB 0.725 33.166 32.500 -0.098 0.000 1.005 269 K HN 0.456 nan 8.250 nan 0.000 0.469 270 R N 1.389 121.817 120.500 -0.120 0.000 2.771 270 R HA 0.335 4.670 4.340 -0.009 0.000 0.274 270 R C -1.235 174.981 176.300 -0.139 0.000 0.987 270 R CA -0.785 55.248 56.100 -0.111 0.000 0.908 270 R CB 2.452 32.686 30.300 -0.109 0.000 1.213 270 R HN 0.486 nan 8.270 nan 0.000 0.468 271 T N 3.140 117.655 114.554 -0.064 0.000 3.410 271 T HA 0.228 4.573 4.350 -0.009 0.000 0.328 271 T C -2.512 172.265 174.700 0.129 0.000 1.567 271 T CA -1.131 60.972 62.100 0.005 0.000 1.626 271 T CB 0.769 69.676 68.868 0.065 0.000 0.939 271 T HN 0.374 nan 8.240 nan 0.000 0.656 272 P HA 0.087 nan 4.420 nan 0.000 0.263 272 P C -0.068 177.348 177.300 0.193 0.000 1.195 272 P CA -0.181 62.984 63.100 0.109 0.000 0.762 272 P CB 0.750 32.495 31.700 0.076 0.000 0.799 273 K N 1.719 122.117 120.400 -0.002 0.000 2.559 273 K HA 0.077 4.392 4.320 -0.009 0.000 0.279 273 K C 0.183 176.729 176.600 -0.089 0.000 0.967 273 K CA -0.117 56.014 56.287 -0.261 0.000 1.000 273 K CB 0.146 32.467 32.500 -0.300 0.000 0.890 273 K HN 0.271 nan 8.250 nan 0.000 0.501 274 V N 4.781 124.545 119.914 -0.251 0.000 2.546 274 V HA 0.085 4.200 4.120 -0.009 0.000 0.284 274 V C 1.244 177.155 176.094 -0.305 0.000 1.050 274 V CA -0.106 61.950 62.300 -0.406 0.000 0.981 274 V CB 1.019 32.620 31.823 -0.370 0.000 0.990 274 V HN 0.756 nan 8.190 nan 0.000 0.474 275 I N 1.042 121.432 120.570 -0.301 0.000 4.187 275 I HA 0.460 4.625 4.170 -0.009 0.000 0.326 275 I C 0.440 176.424 176.117 -0.222 0.000 1.302 275 I CA 0.277 61.446 61.300 -0.219 0.000 1.196 275 I CB 0.561 38.458 38.000 -0.172 0.000 1.095 275 I HN 0.667 nan 8.210 nan 0.000 0.411 276 Q N 0.767 120.407 119.800 -0.266 0.000 2.594 276 Q HA 0.458 4.793 4.340 -0.009 0.000 0.278 276 Q C -1.726 174.119 176.000 -0.258 0.000 0.961 276 Q CA -0.499 55.161 55.803 -0.237 0.000 0.844 276 Q CB 2.412 31.021 28.738 -0.215 0.000 1.475 276 Q HN 0.215 nan 8.270 nan 0.000 0.389 277 S N 2.516 118.085 115.700 -0.219 0.000 2.536 277 S HA 0.871 5.335 4.470 -0.009 0.000 0.287 277 S C -1.637 172.877 174.600 -0.143 0.000 1.101 277 S CA -0.438 57.630 58.200 -0.221 0.000 0.950 277 S CB 0.950 63.994 63.200 -0.259 0.000 1.056 277 S HN 0.512 nan 8.310 nan 0.000 0.481 278 L N 3.154 124.324 121.223 -0.088 0.000 2.466 278 L HA 0.509 4.844 4.340 -0.009 0.000 0.258 278 L C -1.563 175.386 176.870 0.131 0.000 0.973 278 L CA -0.847 54.037 54.840 0.073 0.000 0.826 278 L CB 1.776 43.968 42.059 0.222 0.000 1.372 278 L HN 0.622 nan 8.230 nan 0.000 0.409 279 Y N 1.295 121.657 120.300 0.103 0.000 2.299 279 Y HA 0.223 4.767 4.550 -0.009 0.000 0.326 279 Y C 0.641 176.450 175.900 -0.151 0.000 1.164 279 Y CA 0.055 58.173 58.100 0.029 0.000 1.234 279 Y CB 0.576 39.044 38.460 0.014 0.000 1.219 279 Y HN 0.402 nan 8.280 nan 0.000 0.497 280 H N 5.614 124.535 119.070 -0.249 0.000 2.732 280 H HA 0.093 4.644 4.556 -0.008 0.000 0.351 280 H C -1.907 173.082 175.328 -0.565 0.000 1.090 280 H CA -2.068 53.342 56.048 -1.064 0.000 1.431 280 H CB 1.596 31.043 29.762 -0.524 0.000 1.447 280 H HN 0.427 nan 8.280 nan 0.000 0.582 281 P HA -0.220 nan 4.420 nan 0.000 0.218 281 P C 0.968 178.319 177.300 0.083 0.000 1.152 281 P CA 2.137 65.140 63.100 -0.161 0.000 0.857 281 P CB 0.174 31.592 31.700 -0.471 0.000 0.787 282 N N -1.140 117.666 118.700 0.178 0.000 2.550 282 N HA -0.089 4.646 4.740 -0.009 0.000 0.186 282 N C 0.741 176.168 175.510 -0.138 0.000 1.110 282 N CA 1.311 54.321 53.050 -0.067 0.000 0.912 282 N CB -1.083 37.223 38.487 -0.302 0.000 0.968 282 N HN 0.192 nan 8.380 nan 0.000 0.448 283 S N -1.939 113.704 115.700 -0.096 0.000 2.929 283 S HA -0.232 4.233 4.470 -0.009 0.000 0.271 283 S C 0.662 175.189 174.600 -0.122 0.000 1.295 283 S CA 1.128 59.240 58.200 -0.148 0.000 1.277 283 S CB -2.396 60.644 63.200 -0.267 0.000 1.557 283 S HN 0.390 nan 8.310 nan 0.000 0.666 284 L N 0.122 121.168 121.223 -0.295 0.000 2.477 284 L HA 0.388 4.723 4.340 -0.009 0.000 0.220 284 L C 1.296 178.127 176.870 -0.066 0.000 1.106 284 L CA 0.348 54.900 54.840 -0.480 0.000 0.851 284 L CB -0.204 41.213 42.059 -1.070 0.000 0.994 284 L HN 0.395 nan 8.230 nan 0.000 0.462 285 H N -0.073 118.978 119.070 -0.032 0.000 2.737 285 H HA 0.716 5.266 4.556 -0.009 0.000 0.358 285 H C -0.451 175.001 175.328 0.206 0.000 1.187 285 H CA -1.357 54.797 56.048 0.176 0.000 1.221 285 H CB 2.144 32.122 29.762 0.360 0.000 1.799 285 H HN -0.060 nan 8.280 nan 0.000 0.568 286 I N -1.059 119.699 120.570 0.313 0.000 3.006 286 I HA 0.547 4.712 4.170 -0.009 0.000 0.306 286 I C -1.319 174.920 176.117 0.204 0.000 1.250 286 I CA -1.017 60.351 61.300 0.114 0.000 0.996 286 I CB 2.924 40.691 38.000 -0.389 0.000 1.261 286 I HN 0.482 nan 8.210 nan 0.000 0.442 287 I N 3.170 123.822 120.570 0.137 0.000 2.569 287 I HA 0.642 4.807 4.170 -0.009 0.000 0.296 287 I C -0.812 175.187 176.117 -0.196 0.000 1.028 287 I CA -0.231 60.982 61.300 -0.145 0.000 1.082 287 I CB 2.233 40.042 38.000 -0.319 0.000 1.264 287 I HN 0.912 nan 8.210 nan 0.000 0.429 288 T N 4.846 119.278 114.554 -0.203 0.000 2.824 288 T HA 0.664 5.009 4.350 -0.009 0.000 0.282 288 T C -0.654 173.897 174.700 -0.248 0.000 0.993 288 T CA -0.580 61.397 62.100 -0.204 0.000 0.967 288 T CB 1.494 70.353 68.868 -0.016 0.000 0.960 288 T HN 0.315 nan 8.240 nan 0.000 0.441 289 I N 3.379 123.743 120.570 -0.343 0.000 2.493 289 I HA 0.470 4.635 4.170 -0.009 0.000 0.298 289 I C 0.470 176.372 176.117 -0.358 0.000 0.998 289 I CA -0.607 60.550 61.300 -0.238 0.000 1.137 289 I CB 1.501 39.369 38.000 -0.220 0.000 1.310 289 I HN 0.700 nan 8.210 nan 0.000 0.445 290 H N 3.366 122.386 119.070 -0.084 0.000 2.864 290 H HA 0.343 4.894 4.556 -0.009 0.000 0.354 290 H C 0.105 175.420 175.328 -0.022 0.000 1.208 290 H CA -0.692 55.342 56.048 -0.025 0.000 1.191 290 H CB 1.529 31.348 29.762 0.095 0.000 1.889 290 H HN 0.558 nan 8.280 nan 0.000 0.574 291 E N 0.403 120.664 120.200 0.102 0.000 2.171 291 E HA -0.186 4.158 4.350 -0.009 0.000 0.197 291 E C 0.886 177.523 176.600 0.062 0.000 0.997 291 E CA 1.588 58.004 56.400 0.026 0.000 0.810 291 E CB 0.062 29.767 29.700 0.009 0.000 0.738 291 E HN 0.524 nan 8.360 nan 0.000 0.467 292 D N -0.759 119.731 120.400 0.149 0.000 2.349 292 D HA -0.089 4.545 4.640 -0.009 0.000 0.224 292 D C 0.060 176.510 176.300 0.249 0.000 1.029 292 D CA 0.247 54.372 54.000 0.209 0.000 0.879 292 D CB -0.054 40.852 40.800 0.176 0.000 0.906 292 D HN -0.004 nan 8.370 nan 0.000 0.528 293 N N -1.319 117.490 118.700 0.181 0.000 3.003 293 N HA -0.157 4.578 4.740 -0.009 0.000 0.237 293 N C -1.030 174.549 175.510 0.115 0.000 0.969 293 N CA 0.780 53.929 53.050 0.165 0.000 0.941 293 N CB -1.716 36.946 38.487 0.292 0.000 1.098 293 N HN 0.083 nan 8.380 nan 0.000 0.563 294 S N 0.527 116.299 115.700 0.120 0.000 2.549 294 S HA 0.420 4.885 4.470 -0.009 0.000 0.279 294 S C 0.351 174.903 174.600 -0.080 0.000 1.321 294 S CA -0.156 58.061 58.200 0.027 0.000 1.054 294 S CB 0.683 63.913 63.200 0.050 0.000 0.899 294 S HN 0.207 nan 8.310 nan 0.000 0.497 295 L N 3.769 124.879 121.223 -0.188 0.000 2.316 295 L HA 0.516 4.851 4.340 -0.009 0.000 0.280 295 L C -0.951 175.593 176.870 -0.544 0.000 1.006 295 L CA -0.745 53.884 54.840 -0.351 0.000 0.836 295 L CB 1.174 43.069 42.059 -0.274 0.000 1.221 295 L HN 0.304 nan 8.230 nan 0.000 0.418 296 V N 3.004 122.516 119.914 -0.669 0.000 2.417 296 V HA 0.449 4.564 4.120 -0.009 0.000 0.291 296 V C -0.397 175.196 176.094 -0.835 0.000 1.024 296 V CA -0.457 61.398 62.300 -0.741 0.000 0.861 296 V CB 1.480 32.853 31.823 -0.749 0.000 0.985 296 V HN 0.350 nan 8.190 nan 0.000 0.436 297 F N 3.348 122.931 119.950 -0.612 0.000 2.420 297 F HA 0.690 5.212 4.527 -0.009 0.000 0.342 297 F C -0.329 175.143 175.800 -0.546 0.000 1.113 297 F CA -0.408 57.279 58.000 -0.523 0.000 1.059 297 F CB 1.316 39.752 39.000 -0.939 0.000 1.128 297 F HN 0.428 nan 8.300 nan 0.000 0.475 298 W N 1.616 122.827 121.300 -0.150 0.000 2.864 298 W HA 0.320 4.975 4.660 -0.008 0.000 0.343 298 W C -0.563 175.926 176.519 -0.051 0.000 1.109 298 W CA -0.964 56.308 57.345 -0.122 0.000 1.192 298 W CB 0.675 30.024 29.460 -0.184 0.000 1.426 298 W HN 0.280 nan 8.180 nan 0.000 0.529 299 D N 1.265 121.863 120.400 0.330 0.000 2.325 299 D HA 0.239 4.874 4.640 -0.009 0.000 0.251 299 D C 1.067 177.641 176.300 0.456 0.000 1.196 299 D CA 0.231 54.470 54.000 0.399 0.000 0.866 299 D CB 1.794 42.860 40.800 0.443 0.000 1.101 299 D HN 0.538 nan 8.370 nan 0.000 0.476 300 A N 4.951 127.974 122.820 0.338 0.000 2.024 300 A HA -0.213 4.102 4.320 -0.009 0.000 0.220 300 A C 1.701 179.448 177.584 0.272 0.000 1.164 300 A CA 1.166 53.384 52.037 0.302 0.000 0.643 300 A CB -0.067 19.038 19.000 0.175 0.000 0.806 300 A HN 0.634 nan 8.150 nan 0.000 0.451 301 N N -0.275 118.496 118.700 0.119 0.000 2.349 301 N HA -0.079 4.656 4.740 -0.009 0.000 0.180 301 N C 2.034 177.646 175.510 0.171 0.000 1.024 301 N CA 1.624 54.704 53.050 0.051 0.000 0.869 301 N CB -0.550 37.816 38.487 -0.202 0.000 1.022 301 N HN 0.592 nan 8.380 nan 0.000 0.433 302 S N -0.260 115.594 115.700 0.258 0.000 2.436 302 S HA 0.146 4.610 4.470 -0.009 0.000 0.228 302 S C 1.628 176.367 174.600 0.232 0.000 1.014 302 S CA 1.084 59.447 58.200 0.271 0.000 0.950 302 S CB -0.150 63.283 63.200 0.388 0.000 0.784 302 S HN 0.462 nan 8.310 nan 0.000 0.504 303 G N 0.985 109.965 108.800 0.299 0.000 2.179 303 G HA2 -0.295 3.660 3.960 -0.009 0.000 0.260 303 G HA3 -0.295 3.660 3.960 -0.009 0.000 0.260 303 G C 0.050 175.215 174.900 0.443 0.000 0.977 303 G CA 0.334 45.580 45.100 0.243 0.000 0.641 303 G HN 0.857 nan 8.290 nan 0.000 0.533 304 H N 1.008 120.217 119.070 0.231 0.000 2.886 304 H HA 0.344 4.894 4.556 -0.009 0.000 0.329 304 H C 0.536 175.887 175.328 0.039 0.000 1.044 304 H CA 0.095 56.155 56.048 0.020 0.000 1.456 304 H CB 0.452 29.942 29.762 -0.453 0.000 1.464 304 H HN 0.253 nan 8.280 nan 0.000 0.573 305 M N 7.399 126.629 119.600 -0.618 0.000 2.156 305 M HA 0.023 4.498 4.480 -0.009 0.000 0.345 305 M C 0.581 176.391 176.300 -0.817 0.000 1.398 305 M CA -0.192 54.608 55.300 -0.833 0.000 1.148 305 M CB 0.088 32.027 32.600 -1.101 0.000 1.663 305 M HN 0.725 nan 8.290 nan 0.000 0.464 306 I N 4.821 125.113 120.570 -0.464 0.000 2.163 306 I HA -0.166 3.999 4.170 -0.009 0.000 0.240 306 I C 0.542 176.567 176.117 -0.153 0.000 1.081 306 I CA 1.014 62.208 61.300 -0.176 0.000 1.353 306 I CB -0.141 37.829 38.000 -0.050 0.000 1.054 306 I HN 0.766 nan 8.210 nan 0.000 0.407 307 M N -0.908 118.550 119.600 -0.235 0.000 2.569 307 M HA 0.663 5.138 4.480 -0.009 0.000 0.287 307 M C -1.784 174.406 176.300 -0.183 0.000 1.130 307 M CA -0.726 54.484 55.300 -0.150 0.000 0.885 307 M CB 1.470 34.055 32.600 -0.025 0.000 1.759 307 M HN -0.147 nan 8.290 nan 0.000 0.515 308 A N 2.682 125.405 122.820 -0.160 0.000 2.318 308 A HA 1.044 5.359 4.320 -0.009 0.000 0.324 308 A C -0.567 176.976 177.584 -0.069 0.000 1.170 308 A CA -0.527 51.399 52.037 -0.184 0.000 0.810 308 A CB 0.994 19.896 19.000 -0.164 0.000 1.198 308 A HN 1.180 nan 8.150 nan 0.000 0.484 309 R N 0.343 120.811 120.500 -0.053 0.000 2.747 309 R HA 0.748 5.083 4.340 -0.009 0.000 0.272 309 R C -0.809 175.490 176.300 -0.001 0.000 1.032 309 R CA 0.012 56.113 56.100 0.002 0.000 0.896 309 R CB 0.793 31.118 30.300 0.042 0.000 1.253 309 R HN 0.772 nan 8.270 nan 0.000 0.461 310 T N -2.511 112.057 114.554 0.023 0.000 2.718 310 T HA 0.334 4.678 4.350 -0.009 0.000 0.267 310 T C 1.179 175.863 174.700 -0.026 0.000 0.957 310 T CA -0.425 61.689 62.100 0.023 0.000 1.025 310 T CB 1.018 69.934 68.868 0.080 0.000 1.355 310 T HN 0.224 nan 8.240 nan 0.000 0.572 311 V N -0.351 119.500 119.914 -0.105 0.000 2.515 311 V HA 0.033 4.148 4.120 -0.009 0.000 0.250 311 V C 1.775 177.601 176.094 -0.446 0.000 1.058 311 V CA 1.590 63.692 62.300 -0.331 0.000 1.064 311 V CB -1.026 30.467 31.823 -0.549 0.000 0.675 311 V HN 0.758 nan 8.190 nan 0.000 0.461 312 F N 0.092 120.064 119.950 0.036 0.000 2.731 312 F HA 0.288 4.809 4.527 -0.010 0.000 0.298 312 F C 1.073 176.896 175.800 0.037 0.000 1.106 312 F CA -0.422 57.596 58.000 0.030 0.000 1.329 312 F CB 0.311 39.327 39.000 0.026 0.000 1.100 312 F HN 0.320 nan 8.300 nan 0.000 0.592 313 E N -1.307 119.001 120.200 0.180 0.000 2.449 313 E HA 0.568 4.913 4.350 -0.009 0.000 0.278 313 E C -0.805 175.839 176.600 0.072 0.000 0.992 313 E CA -0.970 55.507 56.400 0.129 0.000 0.807 313 E CB 2.107 31.897 29.700 0.150 0.000 1.350 313 E HN -0.037 nan 8.360 nan 0.000 0.462 314 T N -2.246 112.342 114.554 0.056 0.000 2.762 314 T HA 0.429 4.774 4.350 -0.009 0.000 0.272 314 T C 0.017 174.727 174.700 0.016 0.000 0.982 314 T CA -0.491 61.628 62.100 0.032 0.000 1.013 314 T CB 0.862 69.750 68.868 0.034 0.000 1.309 314 T HN 0.578 nan 8.240 nan 0.000 0.572 315 E N -0.314 119.890 120.200 0.006 0.000 2.494 315 E HA -0.181 4.164 4.350 -0.009 0.000 0.249 315 E C 0.883 177.466 176.600 -0.028 0.000 1.184 315 E CA 0.794 57.191 56.400 -0.005 0.000 0.727 315 E CB -2.096 27.610 29.700 0.009 0.000 1.281 315 E HN 0.696 nan 8.360 nan 0.000 0.405 316 I N -2.378 118.173 120.570 -0.032 0.000 3.176 316 I HA -0.128 4.037 4.170 -0.009 0.000 0.275 316 I C 1.604 177.695 176.117 -0.044 0.000 1.298 316 I CA 1.239 62.502 61.300 -0.062 0.000 1.445 316 I CB -0.216 37.765 38.000 -0.033 0.000 1.075 316 I HN 0.127 nan 8.210 nan 0.000 0.482 317 N N 1.730 120.422 118.700 -0.014 0.000 2.373 317 N HA 0.026 4.761 4.740 -0.009 0.000 0.181 317 N C 0.480 175.975 175.510 -0.025 0.000 1.082 317 N CA 0.080 53.126 53.050 -0.006 0.000 0.885 317 N CB -0.201 38.297 38.487 0.020 0.000 0.977 317 N HN 0.287 nan 8.380 nan 0.000 0.462 318 V N 3.938 123.838 119.914 -0.023 0.000 2.530 318 V HA 0.236 4.351 4.120 -0.009 0.000 0.282 318 V C -1.962 174.133 176.094 0.003 0.000 1.048 318 V CA -1.448 60.849 62.300 -0.005 0.000 0.997 318 V CB 1.252 33.077 31.823 0.003 0.000 0.987 318 V HN 0.159 nan 8.190 nan 0.000 0.477 319 P HA 0.204 nan 4.420 nan 0.000 0.271 319 P C -1.062 176.289 177.300 0.084 0.000 1.216 319 P CA -0.305 62.855 63.100 0.100 0.000 0.771 319 P CB 0.612 32.414 31.700 0.169 0.000 0.864 320 Q N 3.886 123.739 119.800 0.088 0.000 3.147 320 Q HA 0.190 4.525 4.340 -0.009 0.000 0.224 320 Q C -1.812 174.222 176.000 0.057 0.000 0.901 320 Q CA -1.515 54.326 55.803 0.064 0.000 0.729 320 Q CB 1.905 30.692 28.738 0.082 0.000 1.363 320 Q HN 0.383 nan 8.270 nan 0.000 0.467 321 P HA -0.154 nan 4.420 nan 0.000 0.222 321 P C -0.186 177.043 177.300 -0.118 0.000 1.147 321 P CA 1.105 64.036 63.100 -0.282 0.000 0.790 321 P CB 0.470 31.773 31.700 -0.662 0.000 0.780 322 D N -1.369 119.008 120.400 -0.039 0.000 2.615 322 D HA 0.049 4.684 4.640 -0.009 0.000 0.236 322 D C 0.234 176.559 176.300 0.041 0.000 1.233 322 D CA -0.549 53.442 54.000 -0.016 0.000 0.829 322 D CB -0.450 40.330 40.800 -0.033 0.000 1.024 322 D HN 0.187 nan 8.370 nan 0.000 0.490 323 Y N 1.391 121.673 120.300 -0.031 0.000 2.397 323 Y HA 0.271 4.816 4.550 -0.009 0.000 0.335 323 Y C -0.307 175.584 175.900 -0.014 0.000 1.213 323 Y CA 0.026 58.119 58.100 -0.011 0.000 1.391 323 Y CB 0.470 38.935 38.460 0.008 0.000 1.293 323 Y HN -0.106 nan 8.280 nan 0.000 0.557 324 I N 6.396 126.392 120.570 -0.957 0.000 2.586 324 I HA 0.245 4.410 4.170 -0.009 0.000 0.288 324 I C -0.813 174.735 176.117 -0.948 0.000 1.147 324 I CA -0.927 59.936 61.300 -0.730 0.000 1.047 324 I CB 1.883 39.683 38.000 -0.333 0.000 1.244 324 I HN 0.505 nan 8.210 nan 0.000 0.429 325 R N 4.256 124.319 120.500 -0.728 0.000 2.402 325 R HA 0.008 4.343 4.340 -0.009 0.000 0.331 325 R C -0.141 176.022 176.300 -0.229 0.000 1.040 325 R CA 0.176 56.052 56.100 -0.373 0.000 0.980 325 R CB 0.164 30.386 30.300 -0.131 0.000 0.967 325 R HN 0.451 nan 8.270 nan 0.000 0.440 326 D N 2.829 123.125 120.400 -0.174 0.000 2.563 326 D HA 0.072 4.707 4.640 -0.009 0.000 0.222 326 D C -1.393 174.820 176.300 -0.146 0.000 1.145 326 D CA 0.258 54.176 54.000 -0.137 0.000 1.001 326 D CB 0.446 41.185 40.800 -0.101 0.000 1.049 326 D HN 0.360 nan 8.370 nan 0.000 0.515 327 S N 0.679 116.281 115.700 -0.163 0.000 2.677 327 S HA 0.220 4.685 4.470 -0.009 0.000 0.283 327 S C 0.595 175.084 174.600 -0.185 0.000 1.159 327 S CA -0.628 57.437 58.200 -0.225 0.000 1.001 327 S CB 0.989 64.054 63.200 -0.224 0.000 1.032 327 S HN 0.222 nan 8.310 nan 0.000 0.487 328 S N 2.579 118.161 115.700 -0.195 0.000 2.634 328 S HA 0.236 4.701 4.470 -0.009 0.000 0.221 328 S C 0.321 174.843 174.600 -0.129 0.000 0.952 328 S CA -0.256 57.862 58.200 -0.136 0.000 0.930 328 S CB -0.053 63.078 63.200 -0.115 0.000 0.780 328 S HN 0.561 nan 8.310 nan 0.000 0.498 329 T N 3.564 118.018 114.554 -0.168 0.000 2.809 329 T HA 0.350 4.695 4.350 -0.009 0.000 0.284 329 T C -0.604 174.043 174.700 -0.088 0.000 0.992 329 T CA -0.704 61.325 62.100 -0.118 0.000 0.957 329 T CB 0.835 69.619 68.868 -0.141 0.000 0.942 329 T HN 0.248 nan 8.240 nan 0.000 0.439 330 N N 2.598 121.268 118.700 -0.051 0.000 2.468 330 N HA 0.264 4.999 4.740 -0.009 0.000 0.265 330 N C 0.417 175.914 175.510 -0.022 0.000 1.199 330 N CA -0.100 52.921 53.050 -0.049 0.000 0.928 330 N CB 1.042 39.516 38.487 -0.021 0.000 1.059 330 N HN 0.789 nan 8.380 nan 0.000 0.467 331 A N 1.972 124.739 122.820 -0.088 0.000 2.555 331 A HA 0.365 4.680 4.320 -0.009 0.000 0.233 331 A C 0.201 177.941 177.584 0.260 0.000 1.060 331 A CA 0.080 52.094 52.037 -0.039 0.000 0.759 331 A CB 0.115 18.806 19.000 -0.515 0.000 0.995 331 A HN 0.700 nan 8.150 nan 0.000 0.506 332 A N 2.045 125.096 122.820 0.385 0.000 2.335 332 A HA 0.581 4.896 4.320 -0.009 0.000 0.304 332 A C -0.001 177.815 177.584 0.387 0.000 1.118 332 A CA -0.663 51.585 52.037 0.351 0.000 0.757 332 A CB 0.607 19.653 19.000 0.077 0.000 1.188 332 A HN 0.895 nan 8.150 nan 0.000 0.460 333 K N 2.687 123.091 120.400 0.005 0.000 2.448 333 K HA 0.258 4.573 4.320 -0.009 0.000 0.278 333 K C -0.330 176.280 176.600 0.015 0.000 1.009 333 K CA 0.019 56.110 56.287 -0.327 0.000 0.995 333 K CB 0.209 32.344 32.500 -0.609 0.000 0.917 333 K HN 0.666 nan 8.250 nan 0.000 0.481 334 I N 3.214 123.795 120.570 0.018 0.000 2.556 334 I HA -0.116 4.049 4.170 -0.009 0.000 0.284 334 I C 1.317 177.378 176.117 -0.093 0.000 1.114 334 I CA 0.263 61.544 61.300 -0.032 0.000 1.418 334 I CB 1.450 39.416 38.000 -0.057 0.000 1.394 334 I HN 0.784 nan 8.210 nan 0.000 0.552 335 S N 5.643 121.277 115.700 -0.110 0.000 2.438 335 S HA 0.163 4.628 4.470 -0.009 0.000 0.220 335 S C 0.526 175.064 174.600 -0.103 0.000 1.045 335 S CA 0.577 58.727 58.200 -0.082 0.000 0.940 335 S CB 0.383 63.561 63.200 -0.037 0.000 0.863 335 S HN 0.668 nan 8.310 nan 0.000 0.539 336 K N 0.010 120.342 120.400 -0.114 0.000 2.536 336 K HA 0.634 4.949 4.320 -0.009 0.000 0.269 336 K C -2.091 174.397 176.600 -0.186 0.000 0.965 336 K CA -0.719 55.471 56.287 -0.161 0.000 0.860 336 K CB 2.259 34.687 32.500 -0.120 0.000 1.423 336 K HN 0.150 nan 8.250 nan 0.000 0.438 337 V N 2.250 121.976 119.914 -0.314 0.000 2.876 337 V HA 0.522 4.637 4.120 -0.009 0.000 0.312 337 V C -1.642 174.220 176.094 -0.387 0.000 1.085 337 V CA -0.795 61.364 62.300 -0.234 0.000 0.945 337 V CB 1.742 33.446 31.823 -0.198 0.000 1.017 337 V HN 0.670 nan 8.190 nan 0.000 0.428 338 Y N 1.418 121.714 120.300 -0.008 0.000 2.406 338 Y HA 0.443 4.989 4.550 -0.008 0.000 0.340 338 Y C -0.711 175.254 175.900 0.108 0.000 0.975 338 Y CA -0.546 57.588 58.100 0.057 0.000 1.056 338 Y CB 2.004 40.477 38.460 0.023 0.000 1.210 338 Y HN 0.663 nan 8.280 nan 0.000 0.448 339 W N 7.021 128.413 121.300 0.153 0.000 2.311 339 W HA 0.438 5.093 4.660 -0.008 0.000 0.317 339 W C -1.311 175.269 176.519 0.102 0.000 1.065 339 W CA -1.405 56.008 57.345 0.114 0.000 1.364 339 W CB 0.803 30.319 29.460 0.092 0.000 1.233 339 W HN 0.494 nan 8.180 nan 0.000 0.409 340 M N 5.381 125.247 119.600 0.443 0.000 2.494 340 M HA 0.431 4.906 4.480 -0.009 0.000 0.300 340 M C 0.197 176.650 176.300 0.256 0.000 1.189 340 M CA -0.432 55.025 55.300 0.261 0.000 0.982 340 M CB 0.672 33.349 32.600 0.128 0.000 1.534 340 M HN 0.470 nan 8.290 nan 0.000 0.488 341 C N -1.089 118.290 119.300 0.131 0.000 3.170 341 C HA 0.688 5.143 4.460 -0.009 0.000 0.319 341 C C -0.228 174.843 174.990 0.136 0.000 1.260 341 C CA -0.861 58.190 59.018 0.055 0.000 1.374 341 C CB 1.502 29.080 27.740 -0.269 0.000 1.739 341 C HN 0.967 nan 8.230 nan 0.000 0.479 342 E N 1.096 121.396 120.200 0.166 0.000 2.869 342 E HA 0.124 4.469 4.350 -0.009 0.000 0.258 342 E C 1.006 177.727 176.600 0.201 0.000 1.354 342 E CA -0.424 56.080 56.400 0.173 0.000 1.065 342 E CB 0.346 30.123 29.700 0.130 0.000 1.215 342 E HN 0.762 nan 8.360 nan 0.000 0.659 343 N N 1.141 119.918 118.700 0.129 0.000 2.037 343 N HA -0.193 4.542 4.740 -0.009 0.000 0.196 343 N C 0.232 175.885 175.510 0.239 0.000 1.034 343 N CA 1.153 54.273 53.050 0.116 0.000 0.861 343 N CB -0.301 38.214 38.487 0.045 0.000 1.039 343 N HN 0.294 nan 8.380 nan 0.000 0.427 344 N N 0.798 119.608 118.700 0.183 0.000 2.420 344 N HA 0.201 4.935 4.740 -0.009 0.000 0.249 344 N C -2.119 173.508 175.510 0.195 0.000 1.033 344 N CA -1.996 51.185 53.050 0.217 0.000 0.944 344 N CB 1.434 40.074 38.487 0.256 0.000 1.113 344 N HN -0.004 nan 8.380 nan 0.000 0.502 345 P HA -0.123 nan 4.420 nan 0.000 0.222 345 P C 0.237 177.469 177.300 -0.113 0.000 1.142 345 P CA 1.179 64.132 63.100 -0.245 0.000 0.788 345 P CB 0.254 31.716 31.700 -0.396 0.000 0.767 346 E N -2.222 117.997 120.200 0.031 0.000 2.338 346 E HA -0.114 4.231 4.350 -0.009 0.000 0.197 346 E C -0.122 176.350 176.600 -0.214 0.000 1.007 346 E CA 0.588 56.920 56.400 -0.112 0.000 0.849 346 E CB -0.194 29.465 29.700 -0.069 0.000 0.774 346 E HN 0.394 nan 8.360 nan 0.000 0.506 347 Y N 0.503 120.838 120.300 0.058 0.000 2.341 347 Y HA 0.288 4.833 4.550 -0.008 0.000 0.337 347 Y C 0.643 176.595 175.900 0.086 0.000 1.014 347 Y CA -0.614 57.553 58.100 0.112 0.000 1.111 347 Y CB 1.779 40.321 38.460 0.137 0.000 1.194 347 Y HN -0.189 nan 8.280 nan 0.000 0.462 348 T N -1.152 113.559 114.554 0.262 0.000 2.812 348 T HA 0.895 5.240 4.350 -0.009 0.000 0.294 348 T C -0.684 174.209 174.700 0.321 0.000 1.159 348 T CA -0.770 61.494 62.100 0.275 0.000 1.008 348 T CB 1.686 70.703 68.868 0.247 0.000 1.289 348 T HN 0.721 nan 8.240 nan 0.000 0.514 349 S N -0.014 115.900 115.700 0.357 0.000 2.588 349 S HA 0.716 5.181 4.470 -0.009 0.000 0.269 349 S C -1.644 173.022 174.600 0.110 0.000 1.157 349 S CA -1.150 57.184 58.200 0.224 0.000 0.824 349 S CB 0.996 64.365 63.200 0.282 0.000 1.126 349 S HN 0.882 nan 8.310 nan 0.000 0.464 350 L N 1.545 122.750 121.223 -0.030 0.000 2.341 350 L HA 0.654 4.989 4.340 -0.009 0.000 0.278 350 L C -1.313 175.585 176.870 0.047 0.000 1.005 350 L CA -0.936 53.831 54.840 -0.120 0.000 0.818 350 L CB 1.667 43.550 42.059 -0.292 0.000 1.259 350 L HN 0.663 nan 8.230 nan 0.000 0.418 351 L N 5.198 126.485 121.223 0.108 0.000 2.305 351 L HA 0.618 4.953 4.340 -0.009 0.000 0.284 351 L C -0.774 176.171 176.870 0.124 0.000 1.013 351 L CA 0.036 54.978 54.840 0.169 0.000 0.819 351 L CB 1.177 43.339 42.059 0.172 0.000 1.227 351 L HN 0.380 nan 8.230 nan 0.000 0.417 352 I N 4.101 124.700 120.570 0.048 0.000 2.465 352 I HA 0.505 4.670 4.170 -0.009 0.000 0.291 352 I C -0.109 175.911 176.117 -0.162 0.000 1.014 352 I CA -0.480 60.773 61.300 -0.078 0.000 1.093 352 I CB 2.112 40.018 38.000 -0.157 0.000 1.267 352 I HN 0.709 nan 8.210 nan 0.000 0.431 353 S N 4.717 120.296 115.700 -0.202 0.000 2.593 353 S HA 0.588 5.053 4.470 -0.009 0.000 0.297 353 S C -0.759 173.596 174.600 -0.409 0.000 1.112 353 S CA -0.739 57.359 58.200 -0.170 0.000 1.043 353 S CB 1.419 64.632 63.200 0.022 0.000 1.054 353 S HN 0.535 nan 8.310 nan 0.000 0.516 354 H N 1.055 120.167 119.070 0.069 0.000 2.609 354 H HA 0.399 4.949 4.556 -0.009 0.000 0.344 354 H C -0.560 174.794 175.328 0.043 0.000 1.040 354 H CA -0.855 55.225 56.048 0.053 0.000 1.216 354 H CB 1.391 31.200 29.762 0.079 0.000 1.529 354 H HN 0.471 nan 8.280 nan 0.000 0.519 355 K N 2.281 122.748 120.400 0.111 0.000 2.379 355 K HA 0.078 4.393 4.320 -0.009 0.000 0.284 355 K C 0.582 177.234 176.600 0.087 0.000 1.044 355 K CA -0.097 56.228 56.287 0.062 0.000 0.974 355 K CB 0.755 33.254 32.500 -0.002 0.000 0.962 355 K HN 0.738 nan 8.250 nan 0.000 0.474 356 S N 3.181 118.931 115.700 0.083 0.000 2.593 356 S HA 0.432 4.897 4.470 -0.009 0.000 0.269 356 S C 0.616 175.264 174.600 0.079 0.000 1.334 356 S CA -0.765 57.487 58.200 0.087 0.000 1.015 356 S CB 0.370 63.615 63.200 0.076 0.000 0.912 356 S HN 0.524 nan 8.310 nan 0.000 0.541 357 I N -2.126 118.499 120.570 0.092 0.000 2.689 357 I HA 0.756 4.921 4.170 -0.009 0.000 0.299 357 I C 0.321 176.480 176.117 0.071 0.000 1.059 357 I CA -0.916 60.440 61.300 0.092 0.000 1.055 357 I CB 1.573 39.652 38.000 0.132 0.000 1.243 357 I HN 0.769 nan 8.210 nan 0.000 0.425 358 S N 2.573 118.309 115.700 0.060 0.000 4.158 358 S HA -0.316 4.149 4.470 -0.009 0.000 0.604 358 S C 0.900 175.527 174.600 0.045 0.000 1.867 358 S CA 1.339 59.567 58.200 0.048 0.000 4.249 358 S CB -0.810 62.417 63.200 0.045 0.000 0.204 358 S HN 1.017 nan 8.310 nan 0.000 0.457 359 R N 0.779 121.306 120.500 0.044 0.000 2.519 359 R HA 0.148 4.482 4.340 -0.009 0.000 0.050 359 R C -0.294 176.030 176.300 0.039 0.000 0.501 359 R CA 0.678 56.803 56.100 0.042 0.000 0.746 359 R CB -0.459 29.864 30.300 0.037 0.000 0.882 359 R HN 0.781 nan 8.270 nan 0.000 0.576 360 G N 0.389 109.212 108.800 0.040 0.000 2.603 360 G HA2 0.250 4.205 3.960 -0.009 0.000 0.324 360 G HA3 0.250 4.205 3.960 -0.009 0.000 0.324 360 G C 0.089 175.012 174.900 0.038 0.000 1.178 360 G CA 0.313 45.434 45.100 0.035 0.000 1.023 360 G HN 0.268 nan 8.290 nan 0.000 0.482 361 D N 1.561 121.983 120.400 0.036 0.000 3.027 361 D HA -0.238 4.397 4.640 -0.009 0.000 0.224 361 D C 1.152 177.485 176.300 0.055 0.000 1.193 361 D CA 1.087 55.110 54.000 0.038 0.000 0.858 361 D CB -0.422 40.395 40.800 0.029 0.000 1.104 361 D HN 0.549 nan 8.370 nan 0.000 0.406 362 N N -0.130 118.607 118.700 0.061 0.000 2.617 362 N HA -0.112 4.623 4.740 -0.009 0.000 0.198 362 N C -0.397 175.174 175.510 0.101 0.000 1.317 362 N CA 0.639 53.734 53.050 0.075 0.000 0.892 362 N CB 0.115 38.647 38.487 0.075 0.000 1.041 362 N HN 0.293 nan 8.380 nan 0.000 0.450 363 Q N -0.286 119.576 119.800 0.102 0.000 2.644 363 Q HA 0.299 4.634 4.340 -0.009 0.000 0.245 363 Q C -0.761 175.330 176.000 0.152 0.000 1.064 363 Q CA -0.505 55.378 55.803 0.134 0.000 0.860 363 Q CB 1.072 29.873 28.738 0.106 0.000 1.145 363 Q HN 0.208 nan 8.270 nan 0.000 0.515 364 S N 0.704 116.523 115.700 0.197 0.000 2.664 364 S HA 0.785 5.250 4.470 -0.009 0.000 0.304 364 S C -0.307 174.473 174.600 0.300 0.000 1.099 364 S CA -0.900 57.433 58.200 0.223 0.000 1.003 364 S CB 1.183 64.491 63.200 0.180 0.000 1.092 364 S HN 0.456 nan 8.310 nan 0.000 0.525 365 L N 1.147 122.560 121.223 0.317 0.000 2.331 365 L HA 0.579 4.914 4.340 -0.009 0.000 0.275 365 L C -0.201 176.778 176.870 0.182 0.000 1.022 365 L CA -0.568 54.450 54.840 0.297 0.000 0.812 365 L CB 2.091 44.392 42.059 0.404 0.000 1.257 365 L HN 0.720 nan 8.230 nan 0.000 0.435 366 T N 3.456 118.076 114.554 0.109 0.000 2.841 366 T HA 0.495 4.840 4.350 -0.009 0.000 0.283 366 T C -0.578 174.065 174.700 -0.095 0.000 1.000 366 T CA -0.420 61.658 62.100 -0.038 0.000 0.977 366 T CB 1.674 70.577 68.868 0.059 0.000 0.979 366 T HN 0.445 nan 8.240 nan 0.000 0.446 367 M N 4.379 123.821 119.600 -0.262 0.000 2.321 367 M HA 0.584 5.059 4.480 -0.009 0.000 0.315 367 M C -1.800 174.421 176.300 -0.131 0.000 1.052 367 M CA -0.846 54.370 55.300 -0.140 0.000 0.936 367 M CB 1.008 33.509 32.600 -0.166 0.000 1.639 367 M HN 0.578 nan 8.290 nan 0.000 0.433 368 I N 4.008 124.541 120.570 -0.062 0.000 2.437 368 I HA 0.206 4.371 4.170 -0.009 0.000 0.279 368 I C -0.687 175.412 176.117 -0.030 0.000 1.028 368 I CA -0.634 60.622 61.300 -0.073 0.000 1.142 368 I CB 1.337 39.281 38.000 -0.093 0.000 1.266 368 I HN 0.555 nan 8.210 nan 0.000 0.461 369 D N 6.582 126.975 120.400 -0.012 0.000 2.325 369 D HA 0.186 4.821 4.640 -0.009 0.000 0.251 369 D C 0.697 177.010 176.300 0.023 0.000 1.196 369 D CA 0.102 54.128 54.000 0.043 0.000 0.866 369 D CB 1.342 42.171 40.800 0.048 0.000 1.101 369 D HN 0.455 nan 8.370 nan 0.000 0.476 370 L N 3.230 124.479 121.223 0.044 0.000 2.558 370 L HA 0.215 4.550 4.340 -0.009 0.000 0.225 370 L C 1.702 178.652 176.870 0.133 0.000 1.128 370 L CA 0.308 55.130 54.840 -0.030 0.000 0.868 370 L CB -0.629 41.378 42.059 -0.086 0.000 1.006 370 L HN 0.697 nan 8.230 nan 0.000 0.454 371 G N -0.067 108.855 108.800 0.204 0.000 2.552 371 G HA2 -0.400 3.555 3.960 -0.009 0.000 0.265 371 G HA3 -0.400 3.555 3.960 -0.009 0.000 0.265 371 G C -0.395 174.638 174.900 0.221 0.000 1.234 371 G CA 0.122 45.395 45.100 0.287 0.000 0.944 371 G HN 0.146 nan 8.290 nan 0.000 0.568 372 Y N 2.257 122.518 120.300 -0.066 0.000 2.442 372 Y HA 0.488 5.033 4.550 -0.009 0.000 0.330 372 Y C 1.167 176.939 175.900 -0.214 0.000 1.129 372 Y CA 0.668 58.494 58.100 -0.456 0.000 1.365 372 Y CB 0.533 38.746 38.460 -0.411 0.000 1.233 372 Y HN 0.601 nan 8.280 nan 0.000 0.529 373 T N 9.746 123.803 114.554 -0.829 0.000 2.761 373 T HA 0.241 4.586 4.350 -0.009 0.000 0.296 373 T C -2.433 171.648 174.700 -1.031 0.000 0.934 373 T CA -1.161 60.439 62.100 -0.833 0.000 1.091 373 T CB 0.655 69.217 68.868 -0.509 0.000 0.896 373 T HN 0.486 nan 8.240 nan 0.000 0.515 374 P HA 0.144 nan 4.420 nan 0.000 0.269 374 P C -0.184 176.895 177.300 -0.369 0.000 1.215 374 P CA -0.598 62.239 63.100 -0.439 0.000 0.780 374 P CB 0.487 31.996 31.700 -0.318 0.000 0.898 375 R N 2.092 122.479 120.500 -0.188 0.000 2.484 375 R HA 0.001 4.336 4.340 -0.009 0.000 0.293 375 R C 0.966 177.232 176.300 -0.057 0.000 1.023 375 R CA 0.051 56.089 56.100 -0.103 0.000 1.037 375 R CB -1.160 29.130 30.300 -0.016 0.000 0.951 375 R HN 0.593 nan 8.270 nan 0.000 0.418 376 Y N 2.820 123.024 120.300 -0.160 0.000 2.097 376 Y HA -0.335 4.210 4.550 -0.009 0.000 0.282 376 Y C 2.176 178.059 175.900 -0.029 0.000 1.152 376 Y CA 2.739 60.771 58.100 -0.114 0.000 1.136 376 Y CB -0.185 38.202 38.460 -0.122 0.000 0.975 376 Y HN 0.712 nan 8.280 nan 0.000 0.498 377 S N 0.220 115.962 115.700 0.071 0.000 2.440 377 S HA -0.189 4.276 4.470 -0.009 0.000 0.238 377 S C 1.463 176.020 174.600 -0.071 0.000 1.010 377 S CA 1.460 59.665 58.200 0.008 0.000 0.972 377 S CB -1.181 62.082 63.200 0.105 0.000 0.774 377 S HN 0.651 nan 8.310 nan 0.000 0.501 378 I N -1.358 119.170 120.570 -0.069 0.000 3.936 378 I HA 0.407 4.572 4.170 -0.009 0.000 0.330 378 I C -0.752 175.311 176.117 -0.089 0.000 1.509 378 I CA -0.556 60.703 61.300 -0.068 0.000 1.126 378 I CB 0.408 38.391 38.000 -0.030 0.000 1.115 378 I HN -0.080 nan 8.210 nan 0.000 0.424 379 T N 1.740 116.213 114.554 -0.135 0.000 2.792 379 T HA 0.400 4.745 4.350 -0.009 0.000 0.280 379 T C 0.417 175.023 174.700 -0.156 0.000 0.990 379 T CA -0.419 61.612 62.100 -0.115 0.000 0.960 379 T CB 1.787 70.597 68.868 -0.097 0.000 0.939 379 T HN 0.442 nan 8.240 nan 0.000 0.439 380 S N 2.696 118.325 115.700 -0.119 0.000 2.608 380 S HA 0.257 4.722 4.470 -0.009 0.000 0.261 380 S C 0.987 175.558 174.600 -0.048 0.000 1.314 380 S CA -0.591 57.508 58.200 -0.168 0.000 0.992 380 S CB 0.251 63.388 63.200 -0.105 0.000 0.935 380 S HN 0.703 nan 8.310 nan 0.000 0.564 381 Y N -0.057 120.207 120.300 -0.060 0.000 2.207 381 Y HA -0.154 4.391 4.550 -0.009 0.000 0.287 381 Y C 2.858 178.794 175.900 0.060 0.000 1.156 381 Y CA 1.426 59.517 58.100 -0.015 0.000 1.182 381 Y CB -0.126 38.240 38.460 -0.156 0.000 0.979 381 Y HN 0.792 nan 8.280 nan 0.000 0.521 382 E N 0.105 120.419 120.200 0.189 0.000 2.106 382 E HA -0.157 4.188 4.350 -0.009 0.000 0.192 382 E C 2.432 179.106 176.600 0.124 0.000 0.984 382 E CA 0.832 57.317 56.400 0.143 0.000 0.806 382 E CB -0.306 29.450 29.700 0.093 0.000 0.750 382 E HN 0.512 nan 8.360 nan 0.000 0.458 383 G N 1.060 109.917 108.800 0.095 0.000 2.421 383 G HA2 -0.252 3.702 3.960 -0.009 0.000 0.216 383 G HA3 -0.252 3.702 3.960 -0.009 0.000 0.216 383 G C 1.515 176.491 174.900 0.127 0.000 1.171 383 G CA 0.780 45.926 45.100 0.077 0.000 0.775 383 G HN 0.154 nan 8.290 nan 0.000 0.543 384 M N 0.526 120.235 119.600 0.181 0.000 2.117 384 M HA 0.009 4.483 4.480 -0.009 0.000 0.262 384 M C 2.358 178.876 176.300 0.365 0.000 1.065 384 M CA 1.324 56.801 55.300 0.294 0.000 1.114 384 M CB -0.859 31.985 32.600 0.406 0.000 1.361 384 M HN 0.332 nan 8.290 nan 0.000 0.408 385 K N 0.410 120.981 120.400 0.285 0.000 2.097 385 K HA -0.218 4.097 4.320 -0.009 0.000 0.206 385 K C 1.760 178.461 176.600 0.168 0.000 1.049 385 K CA 1.817 58.243 56.287 0.232 0.000 0.933 385 K CB -0.101 32.497 32.500 0.163 0.000 0.717 385 K HN 0.206 nan 8.250 nan 0.000 0.442 386 N N -0.105 118.681 118.700 0.143 0.000 2.120 386 N HA -0.238 4.497 4.740 -0.009 0.000 0.188 386 N C 1.766 177.331 175.510 0.091 0.000 1.024 386 N CA 1.424 54.534 53.050 0.100 0.000 0.852 386 N CB -0.348 38.194 38.487 0.091 0.000 1.003 386 N HN 0.340 nan 8.380 nan 0.000 0.424 387 Y N -0.021 120.245 120.300 -0.057 0.000 2.128 387 Y HA -0.243 4.302 4.550 -0.009 0.000 0.284 387 Y C 1.447 177.192 175.900 -0.259 0.000 1.154 387 Y CA 1.807 59.800 58.100 -0.178 0.000 1.149 387 Y CB -0.828 37.464 38.460 -0.280 0.000 0.976 387 Y HN 0.217 nan 8.280 nan 0.000 0.505 388 Y N -0.531 119.583 120.300 -0.311 0.000 2.457 388 Y HA 0.075 4.620 4.550 -0.009 0.000 0.292 388 Y C 2.534 178.244 175.900 -0.317 0.000 1.125 388 Y CA 0.606 58.372 58.100 -0.556 0.000 1.254 388 Y CB -0.321 37.747 38.460 -0.653 0.000 1.012 388 Y HN 0.250 nan 8.280 nan 0.000 0.555 389 A N -0.330 122.477 122.820 -0.023 0.000 2.072 389 A HA 0.008 4.322 4.320 -0.009 0.000 0.216 389 A C 0.693 178.264 177.584 -0.021 0.000 1.156 389 A CA 0.622 52.656 52.037 -0.005 0.000 0.701 389 A CB -0.099 18.918 19.000 0.029 0.000 0.816 389 A HN 0.271 nan 8.150 nan 0.000 0.458 390 N N 1.200 119.877 118.700 -0.039 0.000 2.918 390 N HA 0.289 5.024 4.740 -0.009 0.000 0.270 390 N C -3.051 172.429 175.510 -0.051 0.000 1.536 390 N CA -0.902 52.133 53.050 -0.024 0.000 0.877 390 N CB 0.700 39.192 38.487 0.008 0.000 1.190 390 N HN 0.135 nan 8.380 nan 0.000 0.492 391 P HA -0.024 nan 4.420 nan 0.000 0.267 391 P C 1.111 178.393 177.300 -0.029 0.000 1.201 391 P CA -0.133 62.912 63.100 -0.091 0.000 0.775 391 P CB 1.470 33.115 31.700 -0.092 0.000 0.854 392 K N 1.232 121.631 120.400 -0.002 0.000 2.147 392 K HA -0.149 4.166 4.320 -0.009 0.000 0.205 392 K C 0.489 177.101 176.600 0.021 0.000 1.049 392 K CA 1.295 57.604 56.287 0.037 0.000 0.936 392 K CB 0.196 32.745 32.500 0.082 0.000 0.722 392 K HN 0.582 nan 8.250 nan 0.000 0.446 393 Q N -0.422 119.378 119.800 0.000 0.000 2.617 393 Q HA 0.219 4.554 4.340 -0.009 0.000 0.270 393 Q C -1.983 173.991 176.000 -0.042 0.000 0.967 393 Q CA -0.560 55.236 55.803 -0.012 0.000 0.887 393 Q CB 1.163 29.900 28.738 -0.001 0.000 1.516 393 Q HN 0.095 nan 8.270 nan 0.000 0.395 394 M N 3.644 123.211 119.600 -0.056 0.000 2.213 394 M HA 0.488 4.963 4.480 -0.009 0.000 0.286 394 M C -1.606 174.623 176.300 -0.117 0.000 1.008 394 M CA -0.533 54.708 55.300 -0.098 0.000 0.937 394 M CB 2.264 34.807 32.600 -0.094 0.000 1.600 394 M HN 0.560 nan 8.290 nan 0.000 0.450 395 K N 3.492 123.762 120.400 -0.217 0.000 2.464 395 K HA 0.755 5.070 4.320 -0.009 0.000 0.253 395 K C -1.358 174.966 176.600 -0.460 0.000 0.933 395 K CA -0.795 55.335 56.287 -0.261 0.000 0.801 395 K CB 2.391 34.766 32.500 -0.208 0.000 1.271 395 K HN 0.588 nan 8.250 nan 0.000 0.430 396 I N 2.632 123.048 120.570 -0.257 0.000 2.385 396 I HA 0.290 4.455 4.170 -0.009 0.000 0.294 396 I C -0.661 175.422 176.117 -0.057 0.000 0.988 396 I CA -0.809 60.381 61.300 -0.183 0.000 1.265 396 I CB 0.782 38.781 38.000 -0.001 0.000 1.388 396 I HN 0.506 nan 8.210 nan 0.000 0.480 397 F N 6.616 126.650 119.950 0.140 0.000 2.308 397 F HA 0.339 4.859 4.527 -0.011 0.000 0.370 397 F C -2.107 173.829 175.800 0.228 0.000 1.100 397 F CA -2.415 55.700 58.000 0.192 0.000 1.108 397 F CB 0.973 40.096 39.000 0.206 0.000 1.293 397 F HN 0.162 nan 8.300 nan 0.000 0.478 398 P HA 0.015 nan 4.420 nan 0.000 0.267 398 P C -0.489 176.884 177.300 0.122 0.000 1.209 398 P CA -0.104 63.119 63.100 0.206 0.000 0.763 398 P CB 0.699 32.486 31.700 0.144 0.000 0.816 399 L N 8.055 129.295 121.223 0.027 0.000 2.380 399 L HA 0.202 4.537 4.340 -0.009 0.000 0.273 399 L C -1.286 175.410 176.870 -0.290 0.000 1.138 399 L CA -1.433 53.275 54.840 -0.220 0.000 0.832 399 L CB 0.391 42.411 42.059 -0.066 0.000 1.124 399 L HN 0.379 nan 8.230 nan 0.000 0.454 400 P HA -0.031 nan 4.420 nan 0.000 0.222 400 P C -0.358 176.850 177.300 -0.153 0.000 1.147 400 P CA 0.998 63.916 63.100 -0.303 0.000 0.790 400 P CB 0.267 31.745 31.700 -0.371 0.000 0.780 401 T N -1.106 113.365 114.554 -0.139 0.000 2.916 401 T HA 0.215 4.560 4.350 -0.009 0.000 0.292 401 T C 0.668 175.354 174.700 -0.024 0.000 1.064 401 T CA -0.548 61.518 62.100 -0.057 0.000 1.011 401 T CB 1.252 70.098 68.868 -0.037 0.000 1.152 401 T HN -0.013 nan 8.240 nan 0.000 0.510 402 N N -0.498 118.204 118.700 0.003 0.000 2.336 402 N HA 0.096 4.831 4.740 -0.009 0.000 0.189 402 N C 0.010 175.538 175.510 0.030 0.000 1.113 402 N CA -0.188 52.874 53.050 0.020 0.000 0.858 402 N CB 0.013 38.515 38.487 0.025 0.000 0.970 402 N HN 0.249 nan 8.380 nan 0.000 0.471 403 V N 2.748 122.679 119.914 0.028 0.000 2.637 403 V HA 0.206 4.321 4.120 -0.009 0.000 0.296 403 V C -1.761 174.359 176.094 0.044 0.000 1.046 403 V CA -1.562 60.761 62.300 0.039 0.000 1.066 403 V CB 0.748 32.597 31.823 0.043 0.000 0.968 403 V HN 0.247 nan 8.190 nan 0.000 0.483 404 P HA 0.162 nan 4.420 nan 0.000 0.268 404 P C -0.434 176.898 177.300 0.054 0.000 1.205 404 P CA 0.015 63.147 63.100 0.053 0.000 0.771 404 P CB 0.715 32.444 31.700 0.048 0.000 0.858 405 I N 2.680 123.287 120.570 0.062 0.000 2.441 405 I HA 0.031 4.196 4.170 -0.009 0.000 0.287 405 I C 1.630 177.779 176.117 0.053 0.000 1.049 405 I CA -0.299 61.039 61.300 0.063 0.000 1.381 405 I CB 1.101 39.150 38.000 0.083 0.000 1.409 405 I HN 0.133 nan 8.210 nan 0.000 0.523 406 V N 4.446 124.387 119.914 0.045 0.000 3.621 406 V HA 0.189 4.304 4.120 -0.009 0.000 0.263 406 V C 0.046 176.163 176.094 0.039 0.000 1.272 406 V CA 0.468 62.789 62.300 0.035 0.000 1.080 406 V CB -0.230 31.606 31.823 0.022 0.000 0.816 406 V HN 0.844 nan 8.190 nan 0.000 0.451 407 N N -0.663 118.065 118.700 0.047 0.000 2.647 407 N HA 0.473 5.208 4.740 -0.009 0.000 0.259 407 N C -1.634 173.909 175.510 0.055 0.000 1.098 407 N CA -0.335 52.750 53.050 0.058 0.000 0.984 407 N CB 1.859 40.370 38.487 0.040 0.000 1.683 407 N HN 0.040 nan 8.380 nan 0.000 0.501 408 I N 2.366 122.982 120.570 0.077 0.000 2.418 408 I HA 0.464 4.628 4.170 -0.009 0.000 0.287 408 I C -1.154 174.907 176.117 -0.092 0.000 1.008 408 I CA -0.926 60.365 61.300 -0.014 0.000 1.104 408 I CB 1.750 39.736 38.000 -0.024 0.000 1.264 408 I HN 0.361 nan 8.210 nan 0.000 0.438 409 L N 9.751 130.900 121.223 -0.124 0.000 2.372 409 L HA 0.669 5.004 4.340 -0.009 0.000 0.273 409 L C -2.759 174.003 176.870 -0.180 0.000 0.989 409 L CA -1.644 53.132 54.840 -0.107 0.000 0.841 409 L CB 1.711 43.772 42.059 0.003 0.000 1.225 409 L HN 0.207 nan 8.230 nan 0.000 0.414 410 P HA 0.324 nan 4.420 nan 0.000 0.278 410 P C -0.956 176.222 177.300 -0.203 0.000 1.238 410 P CA -0.232 62.720 63.100 -0.247 0.000 0.794 410 P CB 0.805 32.345 31.700 -0.267 0.000 0.955 411 I N 3.639 124.048 120.570 -0.269 0.000 2.412 411 I HA 0.270 4.435 4.170 -0.009 0.000 0.279 411 I C -2.305 173.624 176.117 -0.313 0.000 1.063 411 I CA -3.185 57.815 61.300 -0.500 0.000 1.193 411 I CB 0.364 38.035 38.000 -0.549 0.000 1.370 411 I HN 0.074 nan 8.210 nan 0.000 0.479 412 P HA 0.135 nan 4.420 nan 0.000 0.265 412 P C 0.603 178.038 177.300 0.224 0.000 1.187 412 P CA 0.266 63.434 63.100 0.115 0.000 0.766 412 P CB 0.923 32.774 31.700 0.253 0.000 0.820 413 R N 1.541 122.135 120.500 0.157 0.000 2.342 413 R HA 0.045 4.380 4.340 -0.009 0.000 0.204 413 R C 1.645 178.097 176.300 0.252 0.000 0.882 413 R CA 0.236 56.470 56.100 0.223 0.000 1.041 413 R CB 0.060 30.406 30.300 0.076 0.000 1.188 413 R HN 0.365 nan 8.270 nan 0.000 0.598 414 Q N 0.624 120.351 119.800 -0.122 0.000 2.226 414 Q HA 0.092 4.427 4.340 -0.009 0.000 0.199 414 Q C 0.071 175.690 176.000 -0.636 0.000 0.945 414 Q CA 0.879 56.441 55.803 -0.400 0.000 0.861 414 Q CB 0.783 28.931 28.738 -0.983 0.000 0.953 414 Q HN 0.201 nan 8.270 nan 0.000 0.490 415 S N -2.371 112.759 115.700 -0.950 0.000 2.636 415 S HA 0.421 4.886 4.470 -0.009 0.000 0.266 415 S C -2.628 171.369 174.600 -1.005 0.000 1.147 415 S CA -0.710 56.785 58.200 -1.176 0.000 0.815 415 S CB 1.153 64.311 63.200 -0.070 0.000 1.119 415 S HN 0.017 nan 8.310 nan 0.000 0.470 416 P HA 0.206 nan 4.420 nan 0.000 0.255 416 P C -0.218 176.799 177.300 -0.472 0.000 1.248 416 P CA 0.280 63.057 63.100 -0.539 0.000 0.807 416 P CB -0.271 31.113 31.700 -0.527 0.000 1.150 417 Y N -0.885 119.375 120.300 -0.066 0.000 2.436 417 Y HA 0.393 4.938 4.550 -0.009 0.000 0.336 417 Y C 1.022 176.897 175.900 -0.041 0.000 1.318 417 Y CA -0.869 57.131 58.100 -0.167 0.000 1.493 417 Y CB -0.139 38.049 38.460 -0.453 0.000 1.547 417 Y HN -0.323 nan 8.280 nan 0.000 0.549 418 F N -0.748 119.295 119.950 0.155 0.000 3.030 418 F HA -0.193 4.329 4.527 -0.008 0.000 0.309 418 F C 0.775 176.641 175.800 0.110 0.000 0.941 418 F CA 0.319 58.350 58.000 0.052 0.000 1.082 418 F CB -1.774 37.197 39.000 -0.049 0.000 1.113 418 F HN 0.685 nan 8.300 nan 0.000 0.716 419 A N -0.729 122.224 122.820 0.223 0.000 2.783 419 A HA 0.167 4.482 4.320 -0.009 0.000 0.292 419 A C 1.913 179.635 177.584 0.231 0.000 1.495 419 A CA 1.522 53.695 52.037 0.227 0.000 0.787 419 A CB -1.740 17.407 19.000 0.245 0.000 1.017 419 A HN 2.668 nan 8.150 nan 0.000 0.516 420 G N -3.530 105.391 108.800 0.202 0.000 2.198 420 G HA2 -0.181 3.774 3.960 -0.009 0.000 0.260 420 G HA3 -0.181 3.774 3.960 -0.009 0.000 0.260 420 G C 0.523 175.543 174.900 0.199 0.000 1.025 420 G CA 0.553 45.770 45.100 0.196 0.000 0.769 420 G HN 1.769 nan 8.290 nan 0.000 0.507 421 C N -0.121 119.320 119.300 0.234 0.000 2.741 421 C HA 0.346 4.800 4.460 -0.009 0.000 0.267 421 C C 0.744 175.870 174.990 0.226 0.000 1.549 421 C CA -0.758 58.372 59.018 0.187 0.000 1.772 421 C CB -1.011 26.853 27.740 0.206 0.000 2.962 421 C HN 0.633 nan 8.230 nan 0.000 0.514 422 H N 2.522 121.679 119.070 0.145 0.000 3.067 422 H HA 0.122 4.672 4.556 -0.009 0.000 0.265 422 H C 0.536 175.903 175.328 0.065 0.000 1.234 422 H CA 0.147 56.273 56.048 0.130 0.000 1.452 422 H CB -0.111 29.780 29.762 0.215 0.000 1.527 422 H HN 0.399 nan 8.280 nan 0.000 0.486 423 N N 3.512 122.365 118.700 0.255 0.000 2.708 423 N HA -0.116 4.619 4.740 -0.009 0.000 0.255 423 N C -2.901 172.652 175.510 0.071 0.000 1.046 423 N CA 0.165 53.293 53.050 0.131 0.000 0.715 423 N CB -0.312 38.201 38.487 0.043 0.000 0.895 423 N HN 0.461 nan 8.380 nan 0.000 0.545 424 P HA 0.252 nan 4.420 nan 0.000 0.282 424 P C 0.813 178.130 177.300 0.030 0.000 1.262 424 P CA 0.023 63.109 63.100 -0.025 0.000 0.773 424 P CB 1.060 32.679 31.700 -0.134 0.000 0.879 425 G N 2.696 111.498 108.800 0.003 0.000 3.088 425 G HA2 0.299 4.253 3.960 -0.009 0.000 0.217 425 G HA3 0.299 4.253 3.960 -0.009 0.000 0.217 425 G C -0.149 174.744 174.900 -0.012 0.000 1.159 425 G CA 0.192 45.306 45.100 0.024 0.000 0.760 425 G HN 0.486 nan 8.290 nan 0.000 0.550 426 L N 0.112 121.302 121.223 -0.056 0.000 2.505 426 L HA 0.652 4.987 4.340 -0.009 0.000 0.259 426 L C -1.768 175.025 176.870 -0.128 0.000 0.952 426 L CA -1.083 53.705 54.840 -0.086 0.000 0.840 426 L CB 2.127 44.138 42.059 -0.081 0.000 1.358 426 L HN -0.040 nan 8.230 nan 0.000 0.409 427 I N 4.898 125.386 120.570 -0.137 0.000 2.418 427 I HA 0.411 4.576 4.170 -0.009 0.000 0.287 427 I C -0.771 175.278 176.117 -0.113 0.000 1.008 427 I CA -0.627 60.575 61.300 -0.162 0.000 1.104 427 I CB 1.904 39.793 38.000 -0.185 0.000 1.264 427 I HN 0.520 nan 8.210 nan 0.000 0.438 428 L N 7.444 128.606 121.223 -0.102 0.000 2.305 428 L HA 0.548 4.883 4.340 -0.009 0.000 0.281 428 L C -1.080 175.762 176.870 -0.047 0.000 1.085 428 L CA -0.329 54.469 54.840 -0.070 0.000 0.813 428 L CB 0.736 42.745 42.059 -0.084 0.000 1.157 428 L HN 0.508 nan 8.230 nan 0.000 0.436 429 L N 6.481 127.699 121.223 -0.007 0.000 2.381 429 L HA 0.524 4.859 4.340 -0.009 0.000 0.274 429 L C -0.757 176.124 176.870 0.017 0.000 0.988 429 L CA -0.542 54.315 54.840 0.028 0.000 0.824 429 L CB 2.068 44.188 42.059 0.101 0.000 1.263 429 L HN 0.534 nan 8.230 nan 0.000 0.410 430 I N 4.095 124.673 120.570 0.013 0.000 2.354 430 I HA 0.396 4.561 4.170 -0.009 0.000 0.292 430 I C -0.222 175.908 176.117 0.022 0.000 0.989 430 I CA -0.427 60.874 61.300 0.001 0.000 1.188 430 I CB 1.583 39.573 38.000 -0.016 0.000 1.342 430 I HN 0.383 nan 8.210 nan 0.000 0.457 431 L N 4.388 125.628 121.223 0.029 0.000 2.375 431 L HA 0.462 4.796 4.340 -0.009 0.000 0.268 431 L C 1.674 178.569 176.870 0.042 0.000 1.058 431 L CA -0.464 54.401 54.840 0.042 0.000 0.803 431 L CB 1.157 43.246 42.059 0.051 0.000 1.212 431 L HN 0.726 nan 8.230 nan 0.000 0.451 432 G N 0.579 109.407 108.800 0.047 0.000 2.479 432 G HA2 -0.261 3.694 3.960 -0.009 0.000 0.220 432 G HA3 -0.261 3.694 3.960 -0.009 0.000 0.220 432 G C 1.015 175.958 174.900 0.072 0.000 1.115 432 G CA 0.804 45.934 45.100 0.049 0.000 0.757 432 G HN 0.816 nan 8.290 nan 0.000 0.560 433 N N -0.071 118.686 118.700 0.095 0.000 2.336 433 N HA 0.191 4.926 4.740 -0.009 0.000 0.189 433 N C 1.526 177.179 175.510 0.238 0.000 1.113 433 N CA 1.064 54.203 53.050 0.150 0.000 0.858 433 N CB 0.022 38.588 38.487 0.132 0.000 0.970 433 N HN 0.495 nan 8.380 nan 0.000 0.471 434 G N -0.184 108.699 108.800 0.139 0.000 2.213 434 G HA2 -0.260 3.695 3.960 -0.009 0.000 0.236 434 G HA3 -0.260 3.695 3.960 -0.009 0.000 0.236 434 G C -0.241 174.729 174.900 0.117 0.000 0.991 434 G CA -0.040 45.108 45.100 0.079 0.000 0.629 434 G HN 0.446 nan 8.290 nan 0.000 0.517 435 E N 0.100 120.392 120.200 0.153 0.000 2.398 435 E HA 0.467 4.811 4.350 -0.009 0.000 0.263 435 E C 0.076 176.705 176.600 0.050 0.000 1.046 435 E CA 0.112 56.583 56.400 0.119 0.000 0.908 435 E CB 0.882 30.644 29.700 0.104 0.000 0.963 435 E HN 0.387 nan 8.360 nan 0.000 0.431 436 I N 2.517 123.102 120.570 0.025 0.000 2.406 436 I HA 0.204 4.369 4.170 -0.009 0.000 0.290 436 I C -0.030 176.088 176.117 0.001 0.000 0.999 436 I CA -0.302 60.984 61.300 -0.023 0.000 1.124 436 I CB 1.537 39.474 38.000 -0.105 0.000 1.289 436 I HN 0.396 nan 8.210 nan 0.000 0.441 437 E N 3.481 123.704 120.200 0.038 0.000 2.235 437 E HA 0.571 4.915 4.350 -0.009 0.000 0.265 437 E C -0.928 175.735 176.600 0.105 0.000 0.940 437 E CA -0.699 55.771 56.400 0.116 0.000 0.819 437 E CB 2.265 32.088 29.700 0.205 0.000 1.206 437 E HN 0.575 nan 8.360 nan 0.000 0.409 438 T N -0.198 114.440 114.554 0.141 0.000 2.890 438 T HA 0.510 4.855 4.350 -0.009 0.000 0.295 438 T C -0.479 174.169 174.700 -0.087 0.000 0.993 438 T CA -0.744 61.381 62.100 0.042 0.000 0.979 438 T CB 0.689 69.610 68.868 0.089 0.000 0.967 438 T HN 0.392 nan 8.240 nan 0.000 0.441 439 M N 4.876 124.297 119.600 -0.298 0.000 2.181 439 M HA 0.498 4.972 4.480 -0.009 0.000 0.323 439 M C -1.223 174.835 176.300 -0.404 0.000 1.004 439 M CA -1.042 53.844 55.300 -0.690 0.000 0.941 439 M CB 0.934 32.819 32.600 -1.193 0.000 1.579 439 M HN 0.654 nan 8.290 nan 0.000 0.427 440 L N 4.831 125.839 121.223 -0.358 0.000 2.456 440 L HA 0.164 4.499 4.340 -0.009 0.000 0.272 440 L C -1.006 175.735 176.870 -0.215 0.000 1.189 440 L CA 0.074 54.784 54.840 -0.217 0.000 0.846 440 L CB 0.150 42.100 42.059 -0.182 0.000 1.111 440 L HN 0.625 nan 8.230 nan 0.000 0.475 441 Y N 4.560 124.726 120.300 -0.223 0.000 2.409 441 Y HA 0.377 4.923 4.550 -0.006 0.000 0.343 441 Y C -1.744 174.109 175.900 -0.079 0.000 0.973 441 Y CA -1.780 56.222 58.100 -0.164 0.000 1.064 441 Y CB 1.983 40.380 38.460 -0.105 0.000 1.207 441 Y HN 0.366 nan 8.280 nan 0.000 0.452 442 P HA 0.004 nan 4.420 nan 0.000 0.257 442 P C 0.747 177.831 177.300 -0.361 0.000 1.281 442 P CA 0.739 63.353 63.100 -0.811 0.000 0.826 442 P CB 0.269 31.576 31.700 -0.655 0.000 1.237 443 S N -0.003 115.529 115.700 -0.280 0.000 2.382 443 S HA -0.001 4.464 4.470 -0.009 0.000 0.228 443 S C 1.902 176.272 174.600 -0.382 0.000 1.027 443 S CA 1.350 59.425 58.200 -0.209 0.000 0.991 443 S CB -1.644 61.462 63.200 -0.157 0.000 0.823 443 S HN 0.311 nan 8.310 nan 0.000 0.469 444 G N 0.909 109.227 108.800 -0.803 0.000 2.159 444 G HA2 -0.236 3.719 3.960 -0.009 0.000 0.256 444 G HA3 -0.236 3.719 3.960 -0.009 0.000 0.256 444 G C 0.028 174.542 174.900 -0.644 0.000 0.977 444 G CA 0.160 44.475 45.100 -1.308 0.000 0.652 444 G HN 0.627 nan 8.290 nan 0.000 0.531 445 I N 1.392 121.721 120.570 -0.401 0.000 2.436 445 I HA 0.316 4.481 4.170 -0.009 0.000 0.289 445 I C 0.574 176.537 176.117 -0.257 0.000 1.083 445 I CA -0.461 60.723 61.300 -0.194 0.000 1.372 445 I CB 0.125 38.059 38.000 -0.110 0.000 1.408 445 I HN -0.017 nan 8.210 nan 0.000 0.516 446 F N 4.582 124.491 119.950 -0.068 0.000 2.429 446 F HA 0.294 4.815 4.527 -0.011 0.000 0.348 446 F C 0.867 176.653 175.800 -0.023 0.000 1.109 446 F CA 0.191 58.166 58.000 -0.041 0.000 1.232 446 F CB 1.023 40.012 39.000 -0.019 0.000 1.157 446 F HN 0.326 nan 8.300 nan 0.000 0.564 447 T N 2.154 116.783 114.554 0.125 0.000 2.893 447 T HA 0.277 4.622 4.350 -0.009 0.000 0.293 447 T C -0.530 174.220 174.700 0.084 0.000 1.027 447 T CA -0.713 61.434 62.100 0.077 0.000 0.988 447 T CB 1.671 70.554 68.868 0.025 0.000 1.043 447 T HN 0.455 nan 8.240 nan 0.000 0.461 448 D N 1.017 121.449 120.400 0.053 0.000 2.571 448 D HA 0.081 4.715 4.640 -0.009 0.000 0.239 448 D C 0.308 176.607 176.300 -0.002 0.000 1.267 448 D CA -0.260 53.755 54.000 0.024 0.000 0.823 448 D CB 0.695 41.495 40.800 -0.000 0.000 1.056 448 D HN 0.379 nan 8.370 nan 0.000 0.494 449 K N 1.508 121.917 120.400 0.014 0.000 2.366 449 K HA 0.132 4.447 4.320 -0.009 0.000 0.279 449 K C 1.279 177.883 176.600 0.007 0.000 1.098 449 K CA -0.163 56.124 56.287 0.000 0.000 1.087 449 K CB 0.679 33.176 32.500 -0.005 0.000 0.901 449 K HN -0.069 nan 8.250 nan 0.000 0.463 450 A N 3.382 126.188 122.820 -0.022 0.000 1.948 450 A HA -0.176 4.139 4.320 -0.009 0.000 0.220 450 A C 2.109 179.695 177.584 0.003 0.000 1.177 450 A CA 2.086 54.109 52.037 -0.022 0.000 0.636 450 A CB -0.545 18.418 19.000 -0.061 0.000 0.815 450 A HN 0.800 nan 8.150 nan 0.000 0.449 451 S N -0.723 114.970 115.700 -0.012 0.000 2.500 451 S HA -0.044 4.421 4.470 -0.009 0.000 0.239 451 S C 1.658 176.239 174.600 -0.033 0.000 0.989 451 S CA 1.016 59.205 58.200 -0.018 0.000 0.951 451 S CB -0.616 62.567 63.200 -0.029 0.000 0.759 451 S HN 0.528 nan 8.310 nan 0.000 0.523 452 L N -0.535 120.654 121.223 -0.058 0.000 2.217 452 L HA 0.140 4.475 4.340 -0.009 0.000 0.211 452 L C 0.172 176.729 176.870 -0.521 0.000 1.107 452 L CA 0.623 55.312 54.840 -0.251 0.000 0.783 452 L CB -0.149 41.772 42.059 -0.230 0.000 0.919 452 L HN 0.274 nan 8.230 nan 0.000 0.442 453 F N -2.283 117.646 119.950 -0.035 0.000 2.675 453 F HA 0.468 4.989 4.527 -0.009 0.000 0.324 453 F C -2.253 173.494 175.800 -0.088 0.000 1.106 453 F CA -2.535 55.422 58.000 -0.072 0.000 0.970 453 F CB 0.397 39.303 39.000 -0.158 0.000 1.385 453 F HN -0.445 nan 8.300 nan 0.000 0.489 454 P HA 0.017 nan 4.420 nan 0.000 0.267 454 P C 0.107 177.417 177.300 0.017 0.000 1.200 454 P CA 0.254 63.378 63.100 0.039 0.000 0.772 454 P CB 0.675 32.449 31.700 0.124 0.000 0.855 455 Q N 2.346 122.120 119.800 -0.043 0.000 2.197 455 Q HA -0.234 4.101 4.340 -0.009 0.000 0.207 455 Q C 1.424 177.469 176.000 0.076 0.000 0.984 455 Q CA 1.849 57.581 55.803 -0.119 0.000 0.869 455 Q CB -0.636 27.852 28.738 -0.416 0.000 0.906 455 Q HN 0.347 nan 8.270 nan 0.000 0.426 456 N N -0.585 118.225 118.700 0.182 0.000 2.443 456 N HA -0.108 4.627 4.740 -0.009 0.000 0.184 456 N C 1.076 176.760 175.510 0.289 0.000 1.037 456 N CA 0.792 54.047 53.050 0.342 0.000 0.896 456 N CB -0.009 38.641 38.487 0.272 0.000 0.959 456 N HN 0.353 nan 8.380 nan 0.000 0.442 457 L N 0.433 121.707 121.223 0.085 0.000 2.446 457 L HA 0.014 4.349 4.340 -0.009 0.000 0.219 457 L C 2.052 178.950 176.870 0.047 0.000 1.116 457 L CA 0.316 55.130 54.840 -0.043 0.000 0.844 457 L CB -0.218 41.647 42.059 -0.323 0.000 0.970 457 L HN 0.154 nan 8.230 nan 0.000 0.457 458 S N -1.124 114.627 115.700 0.085 0.000 2.447 458 S HA -0.193 4.272 4.470 -0.009 0.000 0.233 458 S C 1.399 176.050 174.600 0.085 0.000 1.006 458 S CA 0.432 58.635 58.200 0.005 0.000 0.957 458 S CB -0.628 62.523 63.200 -0.082 0.000 0.773 458 S HN 0.491 nan 8.310 nan 0.000 0.507 459 W N 1.459 122.844 121.300 0.142 0.000 2.538 459 W HA 0.300 4.956 4.660 -0.007 0.000 0.254 459 W C 1.599 178.223 176.519 0.175 0.000 1.249 459 W CA 0.189 57.658 57.345 0.207 0.000 1.253 459 W CB -0.272 29.297 29.460 0.181 0.000 1.130 459 W HN 0.318 nan 8.180 nan 0.000 0.618 460 L N 0.022 121.419 121.223 0.291 0.000 2.701 460 L HA 0.235 4.570 4.340 -0.009 0.000 0.238 460 L C 0.682 177.615 176.870 0.105 0.000 1.106 460 L CA 0.145 55.108 54.840 0.205 0.000 0.898 460 L CB -0.019 42.107 42.059 0.111 0.000 1.188 460 L HN -0.186 nan 8.230 nan 0.000 0.508 461 R N 0.838 121.365 120.500 0.044 0.000 2.494 461 R HA 0.419 4.754 4.340 -0.009 0.000 0.284 461 R C -2.980 173.267 176.300 -0.088 0.000 1.525 461 R CA -1.426 54.668 56.100 -0.010 0.000 1.460 461 R CB 0.632 30.912 30.300 -0.033 0.000 1.134 461 R HN -0.110 nan 8.270 nan 0.000 0.592 462 P HA 0.273 nan 4.420 nan 0.000 0.304 462 P C -0.059 177.375 177.300 0.222 0.000 1.310 462 P CA -0.818 62.332 63.100 0.084 0.000 0.796 462 P CB 1.269 33.016 31.700 0.079 0.000 1.297 463 L N -0.133 121.213 121.223 0.204 0.000 2.529 463 L HA 0.129 4.464 4.340 -0.009 0.000 0.287 463 L C 1.104 178.086 176.870 0.187 0.000 1.241 463 L CA -0.213 54.747 54.840 0.200 0.000 0.857 463 L CB -0.311 41.814 42.059 0.110 0.000 1.113 463 L HN 0.419 nan 8.230 nan 0.000 0.504 464 A N 1.612 124.443 122.820 0.018 0.000 2.363 464 A HA 0.408 4.722 4.320 -0.009 0.000 0.270 464 A C 0.891 178.385 177.584 -0.150 0.000 1.121 464 A CA -0.105 51.705 52.037 -0.378 0.000 0.800 464 A CB 0.397 19.122 19.000 -0.459 0.000 1.052 464 A HN 0.868 nan 8.150 nan 0.000 0.493 465 T N -1.192 113.270 114.554 -0.153 0.000 3.040 465 T HA 0.367 4.712 4.350 -0.009 0.000 0.250 465 T C 0.524 175.232 174.700 0.013 0.000 1.058 465 T CA 0.665 62.765 62.100 -0.001 0.000 0.988 465 T CB -0.041 68.829 68.868 0.003 0.000 0.993 465 T HN 0.905 nan 8.240 nan 0.000 0.519 466 T N 0.741 115.252 114.554 -0.070 0.000 2.775 466 T HA 0.552 4.896 4.350 -0.009 0.000 0.320 466 T C -2.029 172.597 174.700 -0.123 0.000 1.597 466 T CA 0.043 62.117 62.100 -0.043 0.000 1.022 466 T CB 1.468 70.311 68.868 -0.042 0.000 1.485 466 T HN 0.635 nan 8.240 nan 0.000 0.494 467 S N 2.020 117.668 115.700 -0.086 0.000 2.615 467 S HA 0.843 5.308 4.470 -0.009 0.000 0.268 467 S C -1.102 173.415 174.600 -0.139 0.000 1.146 467 S CA -0.592 57.516 58.200 -0.154 0.000 0.818 467 S CB 1.531 64.655 63.200 -0.127 0.000 1.111 467 S HN 1.438 nan 8.310 nan 0.000 0.465 468 M N -0.102 119.364 119.600 -0.223 0.000 3.012 468 M HA 0.919 5.394 4.480 -0.009 0.000 0.272 468 M C -1.892 174.213 176.300 -0.324 0.000 1.187 468 M CA -0.942 54.234 55.300 -0.207 0.000 0.813 468 M CB 1.167 33.700 32.600 -0.111 0.000 1.626 468 M HN 1.526 nan 8.290 nan 0.000 0.507 469 A N 0.746 123.431 122.820 -0.226 0.000 2.539 469 A HA 1.047 5.362 4.320 -0.009 0.000 0.296 469 A C -1.467 176.099 177.584 -0.031 0.000 1.073 469 A CA -0.181 51.758 52.037 -0.162 0.000 0.700 469 A CB 1.851 20.759 19.000 -0.153 0.000 1.296 469 A HN 1.851 nan 8.150 nan 0.000 0.405 470 A N 0.332 123.157 122.820 0.010 0.000 2.549 470 A HA 0.764 5.079 4.320 -0.009 0.000 0.297 470 A C -0.399 177.217 177.584 0.054 0.000 1.061 470 A CA -0.376 51.701 52.037 0.067 0.000 0.690 470 A CB 1.254 20.367 19.000 0.188 0.000 1.287 470 A HN 1.113 nan 8.150 nan 0.000 0.402 471 S N 0.368 116.115 115.700 0.078 0.000 2.465 471 S HA 0.455 4.920 4.470 -0.009 0.000 0.279 471 S C -0.271 174.437 174.600 0.180 0.000 1.201 471 S CA -0.320 57.949 58.200 0.115 0.000 1.053 471 S CB 0.891 64.123 63.200 0.054 0.000 0.953 471 S HN 1.228 nan 8.310 nan 0.000 0.488 472 V N 6.195 126.149 119.914 0.065 0.000 2.628 472 V HA 0.558 4.673 4.120 -0.009 0.000 0.306 472 V C -2.674 173.331 176.094 -0.148 0.000 1.045 472 V CA -2.685 59.558 62.300 -0.094 0.000 0.905 472 V CB 1.967 33.470 31.823 -0.533 0.000 0.997 472 V HN 0.534 nan 8.190 nan 0.000 0.436 473 P HA 0.239 nan 4.420 nan 0.000 0.271 473 P C 0.115 177.338 177.300 -0.129 0.000 1.226 473 P CA 0.071 62.883 63.100 -0.480 0.000 0.765 473 P CB 0.407 31.900 31.700 -0.344 0.000 0.835 474 N N 2.854 121.509 118.700 -0.075 0.000 2.381 474 N HA -0.138 4.597 4.740 -0.009 0.000 0.182 474 N C 1.507 177.086 175.510 0.114 0.000 1.025 474 N CA 0.848 53.986 53.050 0.148 0.000 0.888 474 N CB -0.154 38.411 38.487 0.129 0.000 0.965 474 N HN 0.343 nan 8.380 nan 0.000 0.438 475 K N 1.499 121.912 120.400 0.021 0.000 2.001 475 K HA -0.103 4.212 4.320 -0.009 0.000 0.223 475 K C 1.754 178.389 176.600 0.058 0.000 1.055 475 K CA 1.502 57.803 56.287 0.022 0.000 0.965 475 K CB -0.572 31.920 32.500 -0.013 0.000 0.730 475 K HN 0.159 nan 8.250 nan 0.000 0.449 476 L N -0.823 120.447 121.223 0.079 0.000 2.354 476 L HA 0.015 4.350 4.340 -0.009 0.000 0.212 476 L C 2.392 179.344 176.870 0.137 0.000 1.091 476 L CA 0.240 55.134 54.840 0.090 0.000 0.828 476 L CB -0.435 41.672 42.059 0.079 0.000 0.973 476 L HN 0.451 nan 8.230 nan 0.000 0.461 477 W N 1.514 122.796 121.300 -0.029 0.000 2.333 477 W HA -0.254 4.401 4.660 -0.009 0.000 0.316 477 W C 1.996 178.525 176.519 0.017 0.000 1.215 477 W CA 1.376 58.720 57.345 -0.002 0.000 1.278 477 W CB -0.123 29.360 29.460 0.037 0.000 1.154 477 W HN 0.089 nan 8.180 nan 0.000 0.486 478 L N 0.798 122.025 121.223 0.007 0.000 2.127 478 L HA -0.160 4.175 4.340 -0.009 0.000 0.211 478 L C 2.792 179.593 176.870 -0.114 0.000 1.089 478 L CA 1.493 56.257 54.840 -0.127 0.000 0.757 478 L CB -1.503 40.550 42.059 -0.011 0.000 0.899 478 L HN 0.126 nan 8.230 nan 0.000 0.434 479 G N -0.447 108.327 108.800 -0.043 0.000 2.422 479 G HA2 -0.221 3.734 3.960 -0.009 0.000 0.218 479 G HA3 -0.221 3.734 3.960 -0.009 0.000 0.218 479 G C 1.752 176.636 174.900 -0.028 0.000 1.146 479 G CA 0.760 45.851 45.100 -0.015 0.000 0.769 479 G HN 0.470 nan 8.290 nan 0.000 0.547 480 A N 0.293 123.048 122.820 -0.109 0.000 1.968 480 A HA 0.218 4.533 4.320 -0.009 0.000 0.217 480 A C 2.393 179.936 177.584 -0.067 0.000 1.169 480 A CA 0.958 52.900 52.037 -0.158 0.000 0.638 480 A CB -0.259 18.358 19.000 -0.638 0.000 0.812 480 A HN 0.351 nan 8.150 nan 0.000 0.446 481 L N -0.722 120.340 121.223 -0.267 0.000 2.072 481 L HA -0.101 4.234 4.340 -0.009 0.000 0.205 481 L C 2.757 179.508 176.870 -0.198 0.000 1.079 481 L CA 1.201 55.842 54.840 -0.332 0.000 0.752 481 L CB -0.457 41.303 42.059 -0.497 0.000 0.906 481 L HN 0.271 nan 8.230 nan 0.000 0.436 482 S N 0.275 115.896 115.700 -0.131 0.000 2.402 482 S HA -0.186 4.278 4.470 -0.009 0.000 0.233 482 S C 1.842 176.409 174.600 -0.054 0.000 1.030 482 S CA 1.397 59.551 58.200 -0.078 0.000 1.003 482 S CB -0.270 62.902 63.200 -0.046 0.000 0.813 482 S HN 0.499 nan 8.310 nan 0.000 0.477 483 A N -0.306 122.499 122.820 -0.025 0.000 2.307 483 A HA 0.659 4.974 4.320 -0.009 0.000 0.218 483 A C 1.204 178.784 177.584 -0.007 0.000 1.228 483 A CA 0.492 52.537 52.037 0.013 0.000 0.857 483 A CB -0.091 18.960 19.000 0.086 0.000 0.897 483 A HN 0.395 nan 8.150 nan 0.000 0.495 484 A N -0.326 122.430 122.820 -0.107 0.000 2.643 484 A HA 0.389 4.704 4.320 -0.009 0.000 0.295 484 A C 0.139 177.586 177.584 -0.229 0.000 1.065 484 A CA -0.365 51.538 52.037 -0.224 0.000 0.986 484 A CB 0.041 18.678 19.000 -0.605 0.000 1.212 484 A HN 0.279 nan 8.150 nan 0.000 0.516 485 Q N 0.936 120.655 119.800 -0.134 0.000 2.361 485 Q HA 0.028 4.363 4.340 -0.009 0.000 0.276 485 Q C -0.254 175.706 176.000 -0.067 0.000 1.022 485 Q CA 0.016 55.761 55.803 -0.096 0.000 0.898 485 Q CB 0.518 29.223 28.738 -0.055 0.000 1.246 485 Q HN 0.479 nan 8.270 nan 0.000 0.410 486 N N 2.010 120.692 118.700 -0.030 0.000 2.405 486 N HA -0.032 4.702 4.740 -0.009 0.000 0.260 486 N C 0.047 175.617 175.510 0.100 0.000 1.152 486 N CA 0.335 53.402 53.050 0.028 0.000 0.948 486 N CB 0.403 38.931 38.487 0.069 0.000 1.111 486 N HN 0.485 nan 8.380 nan 0.000 0.485 487 K N 2.075 122.461 120.400 -0.023 0.000 2.387 487 K HA 0.093 4.408 4.320 -0.009 0.000 0.203 487 K C -0.774 175.631 176.600 -0.326 0.000 1.030 487 K CA 0.012 56.221 56.287 -0.131 0.000 1.099 487 K CB 0.338 32.778 32.500 -0.101 0.000 0.863 487 K HN 0.541 nan 8.250 nan 0.000 0.529 488 D N -0.405 119.817 120.400 -0.296 0.000 2.908 488 D HA 0.032 4.667 4.640 -0.009 0.000 0.361 488 D C -0.346 175.764 176.300 -0.316 0.000 1.416 488 D CA -0.633 53.159 54.000 -0.346 0.000 0.796 488 D CB -0.735 39.947 40.800 -0.198 0.000 1.185 488 D HN 0.099 nan 8.370 nan 0.000 0.451 489 Y N -1.536 118.674 120.300 -0.149 0.000 2.314 489 Y HA 0.374 4.919 4.550 -0.008 0.000 0.334 489 Y C 1.240 176.995 175.900 -0.241 0.000 1.266 489 Y CA -1.292 56.683 58.100 -0.208 0.000 1.391 489 Y CB 0.822 39.184 38.460 -0.163 0.000 1.306 489 Y HN -0.006 nan 8.280 nan 0.000 0.558 490 L N 1.101 122.215 121.223 -0.183 0.000 2.130 490 L HA 0.205 4.539 4.340 -0.009 0.000 0.200 490 L C 0.490 177.328 176.870 -0.053 0.000 1.075 490 L CA 0.413 55.115 54.840 -0.230 0.000 0.768 490 L CB -0.017 41.752 42.059 -0.483 0.000 0.933 490 L HN 0.648 nan 8.230 nan 0.000 0.451 491 L N 0.753 121.977 121.223 0.002 0.000 2.461 491 L HA 0.001 4.336 4.340 -0.009 0.000 0.272 491 L C 0.860 177.805 176.870 0.124 0.000 1.197 491 L CA 0.371 55.269 54.840 0.095 0.000 0.836 491 L CB 0.368 42.501 42.059 0.123 0.000 1.105 491 L HN 0.191 nan 8.230 nan 0.000 0.477 492 K N 1.286 121.714 120.400 0.047 0.000 2.425 492 K HA 0.174 4.489 4.320 -0.009 0.000 0.201 492 K C 0.873 177.441 176.600 -0.053 0.000 1.128 492 K CA -0.019 56.282 56.287 0.024 0.000 1.000 492 K CB 0.675 33.157 32.500 -0.030 0.000 0.961 492 K HN 0.758 nan 8.250 nan 0.000 0.555 493 G N 1.177 109.921 108.800 -0.093 0.000 2.664 493 G HA2 0.382 4.337 3.960 -0.009 0.000 0.242 493 G HA3 0.382 4.337 3.960 -0.009 0.000 0.242 493 G C 0.449 175.284 174.900 -0.108 0.000 1.225 493 G CA 0.309 45.330 45.100 -0.132 0.000 0.849 493 G HN 0.304 nan 8.290 nan 0.000 0.581 494 G N -2.040 106.689 108.800 -0.118 0.000 2.877 494 G HA2 0.141 4.096 3.960 -0.009 0.000 0.279 494 G HA3 0.141 4.096 3.960 -0.009 0.000 0.279 494 G C -0.602 174.242 174.900 -0.095 0.000 1.431 494 G CA -0.109 44.932 45.100 -0.098 0.000 0.883 494 G HN 1.593 nan 8.290 nan 0.000 0.547 495 V N 0.425 120.288 119.914 -0.086 0.000 2.623 495 V HA 0.627 4.742 4.120 -0.009 0.000 0.304 495 V C 0.410 176.452 176.094 -0.086 0.000 1.054 495 V CA -0.767 61.483 62.300 -0.083 0.000 0.882 495 V CB 1.800 33.583 31.823 -0.068 0.000 1.002 495 V HN 1.051 nan 8.190 nan 0.000 0.424 496 R N 2.717 123.160 120.500 -0.096 0.000 2.347 496 R HA 0.371 4.706 4.340 -0.009 0.000 0.304 496 R C 0.036 176.290 176.300 -0.077 0.000 1.072 496 R CA 0.305 56.346 56.100 -0.099 0.000 0.980 496 R CB 0.540 30.772 30.300 -0.114 0.000 0.986 496 R HN 0.788 nan 8.270 nan 0.000 0.448 497 T N 5.811 120.321 114.554 -0.073 0.000 2.851 497 T HA 0.138 4.482 4.350 -0.009 0.000 0.298 497 T C -0.174 174.501 174.700 -0.043 0.000 0.977 497 T CA -0.299 61.768 62.100 -0.056 0.000 1.126 497 T CB 0.383 69.218 68.868 -0.055 0.000 0.916 497 T HN 0.399 nan 8.240 nan 0.000 0.529 498 K N 3.318 123.699 120.400 -0.031 0.000 2.416 498 K HA 0.173 4.488 4.320 -0.009 0.000 0.283 498 K C 0.444 177.040 176.600 -0.007 0.000 1.037 498 K CA 0.217 56.494 56.287 -0.018 0.000 0.995 498 K CB 0.558 33.048 32.500 -0.016 0.000 0.938 498 K HN 0.391 nan 8.250 nan 0.000 0.475 499 R N 3.149 123.655 120.500 0.010 0.000 2.748 499 R HA 0.066 4.401 4.340 -0.009 0.000 0.283 499 R C -0.686 175.632 176.300 0.031 0.000 1.507 499 R CA -0.328 55.787 56.100 0.024 0.000 1.666 499 R CB 0.809 31.137 30.300 0.048 0.000 1.237 499 R HN 0.563 nan 8.270 nan 0.000 0.633 500 Q N 1.821 121.633 119.800 0.019 0.000 2.263 500 Q HA -0.036 4.299 4.340 -0.009 0.000 0.289 500 Q C -0.240 175.774 176.000 0.024 0.000 1.061 500 Q CA 0.871 56.686 55.803 0.021 0.000 0.927 500 Q CB 0.927 29.673 28.738 0.013 0.000 1.154 500 Q HN 0.123 nan 8.270 nan 0.000 0.378 501 K N 4.468 124.886 120.400 0.031 0.000 2.263 501 K HA 0.226 4.541 4.320 -0.009 0.000 0.272 501 K C -0.440 176.180 176.600 0.034 0.000 1.033 501 K CA -0.572 55.734 56.287 0.033 0.000 0.884 501 K CB 0.390 32.915 32.500 0.041 0.000 1.107 501 K HN 0.547 nan 8.250 nan 0.000 0.460 502 L N 2.970 124.210 121.223 0.029 0.000 2.559 502 L HA 0.192 4.527 4.340 -0.009 0.000 0.282 502 L C -2.008 174.886 176.870 0.040 0.000 1.232 502 L CA -1.570 53.288 54.840 0.030 0.000 0.885 502 L CB -0.810 41.264 42.059 0.025 0.000 1.131 502 L HN 0.469 nan 8.230 nan 0.000 0.498 503 P HA 0.178 nan 4.420 nan 0.000 0.268 503 P C -0.598 176.736 177.300 0.058 0.000 1.189 503 P CA 0.335 63.464 63.100 0.048 0.000 0.771 503 P CB 0.564 32.287 31.700 0.038 0.000 0.822 504 A N 1.137 124.000 122.820 0.071 0.000 2.604 504 A HA 0.300 4.615 4.320 -0.009 0.000 0.295 504 A C 0.816 178.453 177.584 0.089 0.000 1.067 504 A CA -0.527 51.565 52.037 0.090 0.000 0.683 504 A CB 1.067 20.133 19.000 0.110 0.000 1.281 504 A HN 0.538 nan 8.150 nan 0.000 0.407 505 E N -0.208 120.057 120.200 0.108 0.000 2.208 505 E HA -0.038 4.307 4.350 -0.009 0.000 0.193 505 E C -0.678 175.867 176.600 -0.093 0.000 0.988 505 E CA 1.144 57.565 56.400 0.035 0.000 0.828 505 E CB 0.020 29.779 29.700 0.100 0.000 0.763 505 E HN 0.609 nan 8.360 nan 0.000 0.478 506 Y N -1.146 119.189 120.300 0.058 0.000 2.485 506 Y HA 0.577 5.122 4.550 -0.009 0.000 0.345 506 Y C 0.578 176.516 175.900 0.063 0.000 0.998 506 Y CA -0.440 57.690 58.100 0.049 0.000 1.059 506 Y CB 2.268 40.749 38.460 0.035 0.000 1.234 506 Y HN -0.060 nan 8.280 nan 0.000 0.461 507 G N -0.017 108.893 108.800 0.183 0.000 2.788 507 G HA2 0.588 4.543 3.960 -0.009 0.000 0.293 507 G HA3 0.588 4.543 3.960 -0.009 0.000 0.293 507 G C -1.372 173.577 174.900 0.081 0.000 1.305 507 G CA -0.891 44.305 45.100 0.161 0.000 1.005 507 G HN 0.393 nan 8.290 nan 0.000 0.496 508 T N 0.549 115.156 114.554 0.088 0.000 2.791 508 T HA 0.625 4.970 4.350 -0.009 0.000 0.288 508 T C 0.056 174.766 174.700 0.017 0.000 0.999 508 T CA -0.060 62.069 62.100 0.049 0.000 0.952 508 T CB 1.233 70.151 68.868 0.082 0.000 0.938 508 T HN 0.847 nan 8.240 nan 0.000 0.444 509 A N 3.481 126.244 122.820 -0.095 0.000 2.301 509 A HA 0.810 5.125 4.320 -0.009 0.000 0.312 509 A C -0.949 176.620 177.584 -0.025 0.000 1.182 509 A CA -0.454 51.479 52.037 -0.173 0.000 0.826 509 A CB 0.321 18.967 19.000 -0.589 0.000 1.134 509 A HN 0.644 nan 8.150 nan 0.000 0.501 510 F N 1.209 120.868 119.950 -0.486 0.000 2.480 510 F HA 0.696 5.217 4.527 -0.009 0.000 0.329 510 F C 0.065 175.469 175.800 -0.659 0.000 1.091 510 F CA -1.218 56.441 58.000 -0.569 0.000 0.972 510 F CB 1.775 40.329 39.000 -0.743 0.000 1.150 510 F HN 0.363 nan 8.300 nan 0.000 0.467 511 I N 2.179 122.509 120.570 -0.400 0.000 2.607 511 I HA 0.382 4.547 4.170 -0.009 0.000 0.290 511 I C -0.842 175.074 176.117 -0.334 0.000 1.129 511 I CA -0.650 60.420 61.300 -0.383 0.000 1.042 511 I CB 2.542 40.293 38.000 -0.416 0.000 1.242 511 I HN 0.570 nan 8.210 nan 0.000 0.421 512 T N 1.329 115.705 114.554 -0.296 0.000 2.876 512 T HA 0.806 5.151 4.350 -0.009 0.000 0.289 512 T C -0.251 174.275 174.700 -0.289 0.000 1.014 512 T CA -0.817 61.059 62.100 -0.374 0.000 0.986 512 T CB 2.073 70.596 68.868 -0.574 0.000 1.021 512 T HN 0.728 nan 8.240 nan 0.000 0.458 513 G N 1.106 109.674 108.800 -0.386 0.000 2.432 513 G HA2 0.673 4.628 3.960 -0.009 0.000 0.331 513 G HA3 0.673 4.628 3.960 -0.009 0.000 0.331 513 G C -1.101 173.494 174.900 -0.508 0.000 1.170 513 G CA -0.688 44.264 45.100 -0.247 0.000 0.943 513 G HN 0.863 nan 8.290 nan 0.000 0.483 514 H N -0.085 118.960 119.070 -0.042 0.000 2.865 514 H HA 0.203 4.754 4.556 -0.008 0.000 0.372 514 H C 0.977 176.310 175.328 0.008 0.000 1.173 514 H CA -0.033 56.003 56.048 -0.020 0.000 1.147 514 H CB 2.264 32.009 29.762 -0.029 0.000 1.805 514 H HN 0.610 nan 8.280 nan 0.000 0.553 515 S N -0.012 115.764 115.700 0.128 0.000 2.500 515 S HA -0.182 4.283 4.470 -0.009 0.000 0.239 515 S C 1.203 175.858 174.600 0.090 0.000 0.989 515 S CA 1.408 59.661 58.200 0.089 0.000 0.951 515 S CB -0.323 62.924 63.200 0.078 0.000 0.759 515 S HN 0.652 nan 8.310 nan 0.000 0.523 516 N N 1.179 119.948 118.700 0.116 0.000 2.270 516 N HA 0.041 4.776 4.740 -0.009 0.000 0.181 516 N C 1.294 176.853 175.510 0.082 0.000 1.016 516 N CA 0.778 53.879 53.050 0.084 0.000 0.870 516 N CB -0.182 38.343 38.487 0.064 0.000 0.979 516 N HN 0.626 nan 8.380 nan 0.000 0.431 517 G N 0.309 109.168 108.800 0.098 0.000 2.179 517 G HA2 -0.250 3.705 3.960 -0.009 0.000 0.220 517 G HA3 -0.250 3.705 3.960 -0.009 0.000 0.220 517 G C 0.003 174.954 174.900 0.085 0.000 0.990 517 G CA 0.382 45.538 45.100 0.092 0.000 0.646 517 G HN 0.568 nan 8.290 nan 0.000 0.517 518 S N -0.839 114.911 115.700 0.083 0.000 2.646 518 S HA 0.817 5.282 4.470 -0.009 0.000 0.276 518 S C -0.265 174.387 174.600 0.087 0.000 1.222 518 S CA -0.259 57.969 58.200 0.047 0.000 1.014 518 S CB 2.781 65.972 63.200 -0.014 0.000 0.991 518 S HN 1.124 nan 8.310 nan 0.000 0.533 519 V N 2.303 122.219 119.914 0.003 0.000 2.525 519 V HA 0.536 4.651 4.120 -0.009 0.000 0.299 519 V C -0.697 175.367 176.094 -0.050 0.000 1.034 519 V CA -0.809 61.472 62.300 -0.031 0.000 0.863 519 V CB 1.621 33.347 31.823 -0.162 0.000 0.999 519 V HN 0.845 nan 8.190 nan 0.000 0.423 520 R N 4.035 124.539 120.500 0.008 0.000 2.407 520 R HA 0.785 5.120 4.340 -0.009 0.000 0.303 520 R C -0.875 175.446 176.300 0.035 0.000 0.981 520 R CA -0.391 55.747 56.100 0.064 0.000 0.905 520 R CB 1.250 31.634 30.300 0.141 0.000 1.099 520 R HN 0.676 nan 8.270 nan 0.000 0.459 521 I N 4.165 124.822 120.570 0.145 0.000 2.533 521 I HA 0.488 4.653 4.170 -0.009 0.000 0.290 521 I C -1.065 175.305 176.117 0.423 0.000 1.056 521 I CA -0.929 60.421 61.300 0.084 0.000 1.057 521 I CB 1.439 39.379 38.000 -0.100 0.000 1.240 521 I HN 0.653 nan 8.210 nan 0.000 0.423 522 Y N 2.623 123.084 120.300 0.267 0.000 2.779 522 Y HA 0.456 5.001 4.550 -0.009 0.000 0.340 522 Y C -1.607 174.521 175.900 0.379 0.000 1.252 522 Y CA -1.339 56.934 58.100 0.287 0.000 1.072 522 Y CB 0.715 39.258 38.460 0.140 0.000 1.343 522 Y HN 0.400 nan 8.280 nan 0.000 0.450 523 D N 0.644 121.349 120.400 0.509 0.000 2.256 523 D HA 0.399 5.034 4.640 -0.009 0.000 0.250 523 D C 0.601 177.046 176.300 0.241 0.000 1.093 523 D CA 0.398 54.658 54.000 0.434 0.000 0.882 523 D CB 2.221 43.291 40.800 0.451 0.000 1.185 523 D HN 0.897 nan 8.370 nan 0.000 0.437 524 A N 3.134 125.923 122.820 -0.052 0.000 2.168 524 A HA -0.016 4.299 4.320 -0.009 0.000 0.215 524 A C 1.199 178.762 177.584 -0.035 0.000 1.152 524 A CA 0.377 52.234 52.037 -0.300 0.000 0.716 524 A CB -0.009 18.497 19.000 -0.825 0.000 0.794 524 A HN 0.432 nan 8.150 nan 0.000 0.465 525 S N -1.046 114.675 115.700 0.035 0.000 2.632 525 S HA 0.341 4.806 4.470 -0.009 0.000 0.271 525 S C 0.134 174.794 174.600 0.101 0.000 1.260 525 S CA -0.449 57.737 58.200 -0.024 0.000 1.010 525 S CB 0.251 63.481 63.200 0.050 0.000 0.965 525 S HN 0.555 nan 8.310 nan 0.000 0.534 526 H N 1.390 120.493 119.070 0.054 0.000 2.524 526 H HA 0.331 4.882 4.556 -0.009 0.000 0.297 526 H C 1.033 176.371 175.328 0.017 0.000 1.115 526 H CA -0.601 55.463 56.048 0.028 0.000 1.027 526 H CB 0.055 29.819 29.762 0.002 0.000 1.591 526 H HN 0.674 nan 8.280 nan 0.000 0.543 527 G N 0.004 108.879 108.800 0.124 0.000 2.616 527 G HA2 -0.125 3.830 3.960 -0.009 0.000 0.268 527 G HA3 -0.125 3.830 3.960 -0.009 0.000 0.268 527 G C 0.801 175.730 174.900 0.049 0.000 1.213 527 G CA -0.292 44.852 45.100 0.074 0.000 0.926 527 G HN 0.371 nan 8.290 nan 0.000 0.523 528 D N -0.413 120.003 120.400 0.027 0.000 2.116 528 D HA -0.168 4.467 4.640 -0.009 0.000 0.193 528 D C 2.166 178.463 176.300 -0.005 0.000 0.998 528 D CA 1.296 55.300 54.000 0.008 0.000 0.836 528 D CB 0.099 40.901 40.800 0.004 0.000 0.951 528 D HN 0.368 nan 8.370 nan 0.000 0.449 529 I N -0.267 120.299 120.570 -0.008 0.000 2.585 529 I HA -0.162 4.003 4.170 -0.009 0.000 0.254 529 I C 2.397 178.484 176.117 -0.050 0.000 1.129 529 I CA 0.299 61.577 61.300 -0.037 0.000 1.455 529 I CB -0.037 37.933 38.000 -0.049 0.000 1.111 529 I HN -0.073 nan 8.210 nan 0.000 0.433 530 Q N 0.562 120.355 119.800 -0.011 0.000 2.123 530 Q HA -0.192 4.143 4.340 -0.009 0.000 0.199 530 Q C 1.601 177.634 176.000 0.055 0.000 0.966 530 Q CA 1.400 57.213 55.803 0.017 0.000 0.845 530 Q CB -0.346 28.452 28.738 0.099 0.000 0.907 530 Q HN 0.336 nan 8.270 nan 0.000 0.439 531 D N 0.765 121.205 120.400 0.067 0.000 2.160 531 D HA -0.228 4.407 4.640 -0.009 0.000 0.189 531 D C 0.977 177.287 176.300 0.016 0.000 1.003 531 D CA 1.461 55.506 54.000 0.074 0.000 0.846 531 D CB -0.170 40.650 40.800 0.034 0.000 0.949 531 D HN 0.162 nan 8.370 nan 0.000 0.446 532 N N -0.988 117.695 118.700 -0.028 0.000 2.279 532 N HA 0.294 5.029 4.740 -0.009 0.000 0.226 532 N C -1.393 174.070 175.510 -0.078 0.000 1.126 532 N CA -0.017 52.999 53.050 -0.057 0.000 0.846 532 N CB 0.473 38.922 38.487 -0.063 0.000 1.050 532 N HN 0.205 nan 8.380 nan 0.000 0.502 533 A N -0.099 122.665 122.820 -0.094 0.000 2.312 533 A HA 0.797 5.112 4.320 -0.009 0.000 0.328 533 A C -0.253 177.208 177.584 -0.205 0.000 1.158 533 A CA -0.312 51.607 52.037 -0.196 0.000 0.821 533 A CB 0.813 19.656 19.000 -0.261 0.000 1.170 533 A HN 0.372 nan 8.150 nan 0.000 0.490 534 S N -0.273 115.191 115.700 -0.394 0.000 2.611 534 S HA 0.778 5.243 4.470 -0.009 0.000 0.270 534 S C -1.241 173.045 174.600 -0.523 0.000 1.131 534 S CA -0.763 57.261 58.200 -0.293 0.000 0.826 534 S CB 0.452 63.617 63.200 -0.058 0.000 1.095 534 S HN 0.754 nan 8.310 nan 0.000 0.461 535 F N 0.449 120.481 119.950 0.137 0.000 2.588 535 F HA 0.817 5.338 4.527 -0.009 0.000 0.314 535 F C -0.046 175.789 175.800 0.059 0.000 1.069 535 F CA -0.521 57.561 58.000 0.137 0.000 0.931 535 F CB 2.143 41.298 39.000 0.259 0.000 1.260 535 F HN 0.907 nan 8.300 nan 0.000 0.465 536 E N 1.371 121.710 120.200 0.231 0.000 2.278 536 E HA 0.626 4.971 4.350 -0.009 0.000 0.272 536 E C -2.256 174.380 176.600 0.061 0.000 0.890 536 E CA -0.628 55.827 56.400 0.090 0.000 0.770 536 E CB 2.651 32.380 29.700 0.047 0.000 1.212 536 E HN 0.535 nan 8.360 nan 0.000 0.415 537 V N 4.344 124.233 119.914 -0.043 0.000 2.628 537 V HA 0.526 4.641 4.120 -0.009 0.000 0.306 537 V C -1.213 174.852 176.094 -0.049 0.000 1.045 537 V CA -0.696 61.553 62.300 -0.086 0.000 0.905 537 V CB 2.028 33.612 31.823 -0.399 0.000 0.997 537 V HN 0.729 nan 8.190 nan 0.000 0.436 538 N N 5.278 124.004 118.700 0.043 0.000 2.479 538 N HA 0.302 5.036 4.740 -0.009 0.000 0.261 538 N C 0.219 175.816 175.510 0.145 0.000 0.979 538 N CA -0.451 52.644 53.050 0.075 0.000 0.930 538 N CB 2.113 40.641 38.487 0.069 0.000 1.172 538 N HN 0.432 nan 8.380 nan 0.000 0.499 539 L N 1.660 122.977 121.223 0.158 0.000 2.291 539 L HA -0.114 4.221 4.340 -0.009 0.000 0.214 539 L C 2.460 179.422 176.870 0.153 0.000 1.120 539 L CA 1.188 56.152 54.840 0.206 0.000 0.799 539 L CB -0.563 41.619 42.059 0.204 0.000 0.925 539 L HN 0.592 nan 8.230 nan 0.000 0.446 540 S N -0.677 115.094 115.700 0.119 0.000 2.400 540 S HA -0.266 4.199 4.470 -0.009 0.000 0.232 540 S C 2.155 176.818 174.600 0.104 0.000 1.025 540 S CA 1.212 59.474 58.200 0.103 0.000 0.993 540 S CB -0.397 62.852 63.200 0.082 0.000 0.808 540 S HN 0.502 nan 8.310 nan 0.000 0.478 541 R N 1.104 121.666 120.500 0.103 0.000 2.057 541 R HA -0.020 4.314 4.340 -0.009 0.000 0.224 541 R C 2.186 178.529 176.300 0.071 0.000 1.136 541 R CA 1.675 57.826 56.100 0.085 0.000 0.968 541 R CB -0.955 29.393 30.300 0.080 0.000 0.863 541 R HN 0.469 nan 8.270 nan 0.000 0.433 542 T N 1.513 116.120 114.554 0.089 0.000 2.778 542 T HA -0.136 4.209 4.350 -0.009 0.000 0.269 542 T C 1.527 176.247 174.700 0.033 0.000 1.050 542 T CA 1.304 63.418 62.100 0.025 0.000 1.137 542 T CB -0.036 68.889 68.868 0.096 0.000 0.860 542 T HN 0.236 nan 8.240 nan 0.000 0.468 543 L N 0.225 121.540 121.223 0.153 0.000 2.693 543 L HA 0.332 4.667 4.340 -0.009 0.000 0.235 543 L C 0.642 177.691 176.870 0.299 0.000 1.127 543 L CA -0.252 54.751 54.840 0.272 0.000 0.914 543 L CB -0.329 41.845 42.059 0.192 0.000 1.193 543 L HN 0.182 nan 8.230 nan 0.000 0.502 544 N N 1.984 120.820 118.700 0.227 0.000 2.705 544 N HA -0.248 4.487 4.740 -0.009 0.000 0.255 544 N C -0.200 175.390 175.510 0.134 0.000 1.008 544 N CA 0.845 54.010 53.050 0.192 0.000 0.742 544 N CB -0.527 38.136 38.487 0.293 0.000 0.906 544 N HN 0.426 nan 8.380 nan 0.000 0.541 545 K N -0.817 119.649 120.400 0.110 0.000 2.444 545 K HA 0.788 5.102 4.320 -0.009 0.000 0.252 545 K C 0.043 176.686 176.600 0.071 0.000 0.993 545 K CA -0.087 56.249 56.287 0.082 0.000 0.847 545 K CB 1.152 33.704 32.500 0.086 0.000 1.340 545 K HN 0.061 nan 8.250 nan 0.000 0.446 546 A N 1.940 124.795 122.820 0.058 0.000 2.242 546 A HA 0.273 4.588 4.320 -0.009 0.000 0.205 546 A C -0.242 177.371 177.584 0.048 0.000 1.353 546 A CA 0.105 52.173 52.037 0.052 0.000 1.005 546 A CB 0.375 19.402 19.000 0.045 0.000 1.127 546 A HN 0.558 nan 8.150 nan 0.000 0.498 547 K N 0.123 120.551 120.400 0.048 0.000 2.352 547 K HA 0.521 4.836 4.320 -0.009 0.000 0.240 547 K C -0.951 175.680 176.600 0.052 0.000 1.017 547 K CA -0.838 55.476 56.287 0.045 0.000 0.851 547 K CB 1.284 33.807 32.500 0.038 0.000 1.261 547 K HN 0.242 nan 8.250 nan 0.000 0.451 548 E N 1.117 121.348 120.200 0.051 0.000 2.230 548 E HA -0.220 4.125 4.350 -0.009 0.000 0.206 548 E C -0.200 176.441 176.600 0.068 0.000 1.309 548 E CA 0.119 56.553 56.400 0.057 0.000 0.697 548 E CB -1.380 28.354 29.700 0.057 0.000 1.146 548 E HN 0.432 nan 8.360 nan 0.000 0.363 549 L N -0.639 120.625 121.223 0.068 0.000 2.858 549 L HA 0.293 4.628 4.340 -0.009 0.000 0.251 549 L C 1.048 177.964 176.870 0.077 0.000 1.149 549 L CA 0.030 54.917 54.840 0.079 0.000 0.955 549 L CB 0.510 42.617 42.059 0.080 0.000 1.289 549 L HN 0.325 nan 8.230 nan 0.000 0.542 550 A N 1.122 123.982 122.820 0.067 0.000 2.573 550 A HA 0.183 4.497 4.320 -0.009 0.000 0.250 550 A C 0.313 177.930 177.584 0.056 0.000 1.049 550 A CA 0.093 52.166 52.037 0.060 0.000 0.767 550 A CB -0.189 18.842 19.000 0.051 0.000 0.965 550 A HN 0.012 nan 8.150 nan 0.000 0.514 551 V N 3.764 123.706 119.914 0.046 0.000 2.521 551 V HA 0.029 4.144 4.120 -0.009 0.000 0.286 551 V C 1.181 177.287 176.094 0.020 0.000 1.034 551 V CA 1.025 63.346 62.300 0.035 0.000 1.045 551 V CB 1.139 32.968 31.823 0.011 0.000 0.974 551 V HN 1.116 nan 8.190 nan 0.000 0.480 552 D N 3.821 124.239 120.400 0.030 0.000 2.369 552 D HA 0.118 4.752 4.640 -0.009 0.000 0.231 552 D C 0.536 176.843 176.300 0.012 0.000 0.967 552 D CA 0.950 54.963 54.000 0.022 0.000 0.905 552 D CB 0.505 41.325 40.800 0.033 0.000 1.044 552 D HN 0.606 nan 8.370 nan 0.000 0.487 553 K N -0.414 119.996 120.400 0.016 0.000 2.536 553 K HA 0.580 4.895 4.320 -0.009 0.000 0.269 553 K C -1.146 175.465 176.600 0.018 0.000 0.965 553 K CA -0.729 55.565 56.287 0.011 0.000 0.860 553 K CB 2.851 35.358 32.500 0.011 0.000 1.423 553 K HN -0.074 nan 8.250 nan 0.000 0.438 554 I N 0.526 121.105 120.570 0.014 0.000 2.722 554 I HA 0.285 4.450 4.170 -0.009 0.000 0.295 554 I C -1.088 175.059 176.117 0.050 0.000 1.161 554 I CA -0.724 60.591 61.300 0.026 0.000 1.032 554 I CB 2.366 40.355 38.000 -0.019 0.000 1.244 554 I HN 0.469 nan 8.210 nan 0.000 0.421 555 S N 5.316 121.069 115.700 0.088 0.000 2.614 555 S HA 0.642 5.107 4.470 -0.009 0.000 0.288 555 S C -1.575 173.133 174.600 0.179 0.000 1.137 555 S CA -0.380 57.887 58.200 0.112 0.000 0.992 555 S CB 1.054 64.311 63.200 0.094 0.000 1.026 555 S HN 0.399 nan 8.310 nan 0.000 0.486 556 F N 4.625 124.572 119.950 -0.004 0.000 2.499 556 F HA 0.720 5.242 4.527 -0.009 0.000 0.333 556 F C -0.162 175.642 175.800 0.006 0.000 1.138 556 F CA -0.706 57.289 58.000 -0.009 0.000 0.945 556 F CB 1.338 40.301 39.000 -0.061 0.000 1.181 556 F HN 0.683 nan 8.300 nan 0.000 0.435 557 A N 5.188 127.707 122.820 -0.501 0.000 2.506 557 A HA 0.583 4.898 4.320 -0.009 0.000 0.320 557 A C 0.988 178.138 177.584 -0.724 0.000 1.424 557 A CA 0.235 52.021 52.037 -0.417 0.000 1.044 557 A CB -0.084 18.768 19.000 -0.247 0.000 1.140 557 A HN 1.163 nan 8.150 nan 0.000 0.538 558 A N 1.869 124.358 122.820 -0.551 0.000 2.019 558 A HA -0.092 4.223 4.320 -0.009 0.000 0.219 558 A C 1.745 179.205 177.584 -0.206 0.000 1.164 558 A CA 1.497 53.295 52.037 -0.399 0.000 0.644 558 A CB -0.200 18.777 19.000 -0.039 0.000 0.805 558 A HN 0.781 nan 8.150 nan 0.000 0.449 559 E N -0.536 119.579 120.200 -0.142 0.000 2.158 559 E HA -0.092 4.253 4.350 -0.009 0.000 0.191 559 E C 1.522 178.072 176.600 -0.082 0.000 0.982 559 E CA 1.576 57.931 56.400 -0.075 0.000 0.823 559 E CB -0.224 29.452 29.700 -0.040 0.000 0.766 559 E HN 0.786 nan 8.360 nan 0.000 0.468 560 T N -1.803 112.675 114.554 -0.126 0.000 3.084 560 T HA 0.263 4.608 4.350 -0.009 0.000 0.270 560 T C 0.832 175.478 174.700 -0.089 0.000 1.008 560 T CA -0.381 61.664 62.100 -0.092 0.000 0.900 560 T CB -0.186 68.623 68.868 -0.099 0.000 1.084 560 T HN 0.075 nan 8.240 nan 0.000 0.538 561 L N 1.049 122.177 121.223 -0.159 0.000 3.879 561 L HA -0.190 4.145 4.340 -0.009 0.000 0.481 561 L C -0.168 176.729 176.870 0.045 0.000 1.232 561 L CA 0.557 55.351 54.840 -0.077 0.000 0.736 561 L CB -1.688 40.417 42.059 0.076 0.000 1.511 561 L HN 0.558 nan 8.230 nan 0.000 0.830 562 E N 0.480 120.617 120.200 -0.104 0.000 2.263 562 E HA 0.796 5.141 4.350 -0.009 0.000 0.264 562 E C -0.511 176.158 176.600 0.115 0.000 0.923 562 E CA -0.908 55.526 56.400 0.058 0.000 0.802 562 E CB 2.996 32.679 29.700 -0.029 0.000 1.228 562 E HN 0.202 nan 8.360 nan 0.000 0.417 563 L N 1.207 122.595 121.223 0.275 0.000 2.431 563 L HA 0.732 5.067 4.340 -0.009 0.000 0.266 563 L C -1.677 175.365 176.870 0.287 0.000 0.978 563 L CA -0.615 54.407 54.840 0.303 0.000 0.822 563 L CB 1.783 44.045 42.059 0.338 0.000 1.310 563 L HN 0.699 nan 8.230 nan 0.000 0.409 564 A N 4.573 127.522 122.820 0.214 0.000 2.335 564 A HA 0.739 5.054 4.320 -0.009 0.000 0.304 564 A C -1.371 176.319 177.584 0.177 0.000 1.118 564 A CA -0.422 51.727 52.037 0.187 0.000 0.757 564 A CB 1.595 20.666 19.000 0.118 0.000 1.188 564 A HN 0.365 nan 8.150 nan 0.000 0.460 565 V N 1.997 122.042 119.914 0.218 0.000 2.487 565 V HA 0.640 4.755 4.120 -0.009 0.000 0.298 565 V C 0.343 176.524 176.094 0.145 0.000 1.028 565 V CA -0.481 61.924 62.300 0.175 0.000 0.860 565 V CB 1.639 33.598 31.823 0.226 0.000 0.991 565 V HN 0.919 nan 8.190 nan 0.000 0.427 566 S N 5.765 121.524 115.700 0.098 0.000 2.475 566 S HA 0.813 5.278 4.470 -0.009 0.000 0.298 566 S C -0.516 174.134 174.600 0.084 0.000 1.119 566 S CA -0.628 57.623 58.200 0.086 0.000 1.085 566 S CB 0.902 64.129 63.200 0.047 0.000 1.028 566 S HN 0.682 nan 8.310 nan 0.000 0.489 567 I N 1.497 122.126 120.570 0.098 0.000 2.910 567 I HA 0.548 4.713 4.170 -0.009 0.000 0.310 567 I C 1.269 177.437 176.117 0.085 0.000 1.043 567 I CA -1.081 60.273 61.300 0.090 0.000 1.053 567 I CB 1.553 39.615 38.000 0.103 0.000 1.242 567 I HN 0.814 nan 8.210 nan 0.000 0.452 568 E N 0.458 120.702 120.200 0.072 0.000 2.284 568 E HA -0.276 4.069 4.350 -0.009 0.000 0.200 568 E C 1.361 178.007 176.600 0.076 0.000 1.008 568 E CA 1.968 58.408 56.400 0.066 0.000 0.829 568 E CB -0.712 29.021 29.700 0.056 0.000 0.744 568 E HN 0.918 nan 8.360 nan 0.000 0.491 569 T N -3.655 110.953 114.554 0.091 0.000 3.014 569 T HA 0.286 4.631 4.350 -0.009 0.000 0.263 569 T C 1.672 176.443 174.700 0.119 0.000 1.078 569 T CA 0.613 62.772 62.100 0.098 0.000 1.135 569 T CB 0.459 69.394 68.868 0.111 0.000 0.895 569 T HN 0.481 nan 8.240 nan 0.000 0.480 570 G N 0.878 109.763 108.800 0.142 0.000 2.229 570 G HA2 -0.127 3.828 3.960 -0.009 0.000 0.189 570 G HA3 -0.127 3.828 3.960 -0.009 0.000 0.189 570 G C -0.368 174.678 174.900 0.244 0.000 1.000 570 G CA -0.131 45.091 45.100 0.203 0.000 0.663 570 G HN 0.550 nan 8.290 nan 0.000 0.493 571 D N 0.431 120.953 120.400 0.203 0.000 2.339 571 D HA 0.498 5.133 4.640 -0.009 0.000 0.245 571 D C 0.075 176.481 176.300 0.177 0.000 1.115 571 D CA 0.338 54.468 54.000 0.216 0.000 0.917 571 D CB 2.309 43.238 40.800 0.216 0.000 1.192 571 D HN 0.134 nan 8.370 nan 0.000 0.428 572 V N 1.862 121.877 119.914 0.170 0.000 2.638 572 V HA 0.278 4.393 4.120 -0.009 0.000 0.306 572 V C 0.055 176.220 176.094 0.118 0.000 1.052 572 V CA -0.812 61.570 62.300 0.137 0.000 0.885 572 V CB 2.160 34.053 31.823 0.116 0.000 0.999 572 V HN 0.252 nan 8.190 nan 0.000 0.424 573 V N 5.528 125.516 119.914 0.124 0.000 2.581 573 V HA 0.559 4.673 4.120 -0.009 0.000 0.303 573 V C -0.602 175.498 176.094 0.010 0.000 1.041 573 V CA -0.724 61.590 62.300 0.022 0.000 0.907 573 V CB 1.833 33.668 31.823 0.019 0.000 0.994 573 V HN 0.542 nan 8.190 nan 0.000 0.442 574 L N 4.408 125.532 121.223 -0.165 0.000 2.325 574 L HA 0.700 5.034 4.340 -0.009 0.000 0.278 574 L C -0.606 176.094 176.870 -0.284 0.000 1.023 574 L CA 0.031 54.831 54.840 -0.067 0.000 0.811 574 L CB 1.155 43.193 42.059 -0.036 0.000 1.249 574 L HN 0.463 nan 8.230 nan 0.000 0.431 575 F N 1.385 121.404 119.950 0.114 0.000 2.629 575 F HA 0.714 5.235 4.527 -0.010 0.000 0.316 575 F C -0.134 175.776 175.800 0.183 0.000 1.081 575 F CA -0.950 57.147 58.000 0.162 0.000 0.954 575 F CB 2.040 41.190 39.000 0.249 0.000 1.337 575 F HN 0.252 nan 8.300 nan 0.000 0.474 576 K N 0.814 121.427 120.400 0.356 0.000 2.543 576 K HA 0.301 4.616 4.320 -0.009 0.000 0.255 576 K C -2.048 174.523 176.600 -0.048 0.000 0.934 576 K CA -0.787 55.598 56.287 0.164 0.000 0.810 576 K CB 1.786 34.315 32.500 0.048 0.000 1.315 576 K HN 0.639 nan 8.250 nan 0.000 0.433 577 Y N 4.576 124.604 120.300 -0.455 0.000 2.537 577 Y HA 0.113 4.658 4.550 -0.008 0.000 0.339 577 Y C -0.387 175.329 175.900 -0.308 0.000 1.066 577 Y CA 0.985 58.650 58.100 -0.725 0.000 1.357 577 Y CB 0.325 38.232 38.460 -0.922 0.000 1.175 577 Y HN 0.682 nan 8.280 nan 0.000 0.525 578 E N 2.712 122.430 120.200 -0.803 0.000 2.435 578 E HA 0.429 4.774 4.350 -0.009 0.000 0.277 578 E C -1.857 174.470 176.600 -0.455 0.000 1.106 578 E CA -1.099 54.981 56.400 -0.532 0.000 0.868 578 E CB 0.761 30.316 29.700 -0.242 0.000 1.454 578 E HN 0.277 nan 8.360 nan 0.000 0.452 579 V N 1.517 121.268 119.914 -0.272 0.000 2.811 579 V HA 0.144 4.259 4.120 -0.009 0.000 0.302 579 V C 0.349 176.376 176.094 -0.111 0.000 1.063 579 V CA -0.262 61.934 62.300 -0.173 0.000 1.088 579 V CB 0.762 32.523 31.823 -0.103 0.000 0.982 579 V HN 0.693 nan 8.190 nan 0.000 0.485 580 N N 2.194 120.857 118.700 -0.062 0.000 2.489 580 N HA 0.177 4.912 4.740 -0.009 0.000 0.284 580 N C -0.151 175.384 175.510 0.041 0.000 1.158 580 N CA -0.447 52.600 53.050 -0.006 0.000 0.965 580 N CB 1.125 39.625 38.487 0.021 0.000 1.195 580 N HN 0.645 nan 8.380 nan 0.000 0.506 581 Q N 2.117 121.952 119.800 0.059 0.000 2.903 581 Q HA 0.248 4.582 4.340 -0.009 0.000 0.243 581 Q C -0.893 175.227 176.000 0.201 0.000 1.366 581 Q CA 0.367 56.216 55.803 0.076 0.000 0.898 581 Q CB -0.685 28.072 28.738 0.032 0.000 1.718 581 Q HN 0.529 nan 8.270 nan 0.000 0.557 599 R N 0.409 120.665 120.500 -0.408 0.000 2.300 599 R HA 0.307 4.642 4.340 -0.009 0.000 0.199 599 R C 1.165 177.454 176.300 -0.018 0.000 0.920 599 R CA 0.459 56.429 56.100 -0.216 0.000 1.046 599 R CB -0.078 30.009 30.300 -0.355 0.000 0.984 599 R HN 0.388 nan 8.270 nan 0.000 0.493 600 R N -0.287 120.322 120.500 0.181 0.000 2.312 600 R HA 0.166 4.501 4.340 -0.009 0.000 0.205 600 R C -0.208 176.219 176.300 0.213 0.000 0.904 600 R CA -0.341 55.910 56.100 0.251 0.000 1.052 600 R CB 0.033 30.580 30.300 0.412 0.000 1.014 600 R HN 0.066 nan 8.270 nan 0.000 0.503 601 F N 1.726 121.764 119.950 0.147 0.000 2.635 601 F HA -0.044 4.474 4.527 -0.014 0.000 0.379 601 F C 0.166 175.989 175.800 0.038 0.000 1.094 601 F CA 0.821 58.871 58.000 0.084 0.000 1.300 601 F CB 0.619 39.662 39.000 0.072 0.000 1.035 601 F HN -0.210 nan 8.300 nan 0.000 0.581 602 S N 5.740 120.752 115.700 -1.147 0.000 2.535 602 S HA 0.350 4.815 4.470 -0.009 0.000 0.272 602 S C 0.351 174.368 174.600 -0.972 0.000 1.149 602 S CA -0.919 56.788 58.200 -0.821 0.000 0.888 602 S CB 0.911 63.901 63.200 -0.349 0.000 1.110 602 S HN 0.778 nan 8.310 nan 0.000 0.463 603 L N 3.071 123.876 121.223 -0.697 0.000 2.131 603 L HA -0.052 4.283 4.340 -0.009 0.000 0.210 603 L C 1.678 178.256 176.870 -0.486 0.000 1.092 603 L CA 0.855 55.333 54.840 -0.604 0.000 0.759 603 L CB -0.318 41.290 42.059 -0.752 0.000 0.903 603 L HN 0.648 nan 8.230 nan 0.000 0.435 604 N N 0.133 118.624 118.700 -0.348 0.000 2.571 604 N HA -0.086 4.649 4.740 -0.009 0.000 0.189 604 N C 1.145 176.588 175.510 -0.113 0.000 1.154 604 N CA 0.356 53.323 53.050 -0.139 0.000 0.907 604 N CB -0.210 38.236 38.487 -0.069 0.000 0.977 604 N HN 0.402 nan 8.380 nan 0.000 0.449 605 N N 0.500 119.093 118.700 -0.179 0.000 2.106 605 N HA -0.074 4.661 4.740 -0.009 0.000 0.188 605 N C 1.106 176.580 175.510 -0.061 0.000 1.029 605 N CA 0.905 53.883 53.050 -0.120 0.000 0.848 605 N CB -0.298 38.097 38.487 -0.154 0.000 1.007 605 N HN 0.360 nan 8.380 nan 0.000 0.423 606 T N -1.963 112.562 114.554 -0.049 0.000 2.912 606 T HA 0.286 4.631 4.350 -0.009 0.000 0.280 606 T C 0.765 175.477 174.700 0.021 0.000 0.989 606 T CA -0.726 61.371 62.100 -0.005 0.000 0.995 606 T CB 1.781 70.657 68.868 0.014 0.000 1.077 606 T HN -0.049 nan 8.240 nan 0.000 0.531 607 N N -0.200 118.514 118.700 0.024 0.000 2.299 607 N HA 0.210 4.945 4.740 -0.009 0.000 0.187 607 N C 0.899 176.432 175.510 0.038 0.000 1.099 607 N CA 0.023 53.091 53.050 0.030 0.000 0.867 607 N CB -0.107 38.387 38.487 0.012 0.000 0.974 607 N HN 0.892 nan 8.380 nan 0.000 0.477 608 G N -0.464 108.362 108.800 0.043 0.000 2.527 608 G HA2 0.215 4.170 3.960 -0.009 0.000 0.248 608 G HA3 0.215 4.170 3.960 -0.009 0.000 0.248 608 G C 0.922 175.866 174.900 0.072 0.000 1.231 608 G CA -0.488 44.639 45.100 0.046 0.000 0.838 608 G HN 0.082 nan 8.290 nan 0.000 0.570 609 V N 1.596 121.545 119.914 0.057 0.000 2.488 609 V HA 0.027 4.142 4.120 -0.009 0.000 0.246 609 V C 1.354 177.510 176.094 0.104 0.000 1.046 609 V CA 0.971 63.313 62.300 0.071 0.000 1.053 609 V CB -0.491 31.351 31.823 0.033 0.000 0.679 609 V HN 0.418 nan 8.190 nan 0.000 0.458 610 L N 1.289 122.560 121.223 0.081 0.000 2.268 610 L HA 0.350 4.685 4.340 -0.009 0.000 0.289 610 L C -0.747 176.170 176.870 0.078 0.000 1.064 610 L CA -0.175 54.712 54.840 0.078 0.000 0.824 610 L CB 1.146 43.240 42.059 0.059 0.000 1.202 610 L HN -0.002 nan 8.230 nan 0.000 0.433 611 V N 1.957 121.929 119.914 0.096 0.000 2.394 611 V HA 0.129 4.244 4.120 -0.009 0.000 0.282 611 V C -0.006 176.142 176.094 0.091 0.000 1.031 611 V CA -0.658 61.709 62.300 0.112 0.000 0.881 611 V CB 1.869 33.787 31.823 0.159 0.000 0.982 611 V HN 0.619 nan 8.190 nan 0.000 0.451 612 D N 3.953 124.398 120.400 0.076 0.000 2.343 612 D HA 0.248 4.883 4.640 -0.009 0.000 0.255 612 D C 0.522 176.814 176.300 -0.014 0.000 1.187 612 D CA -0.074 53.939 54.000 0.023 0.000 0.875 612 D CB 1.424 42.233 40.800 0.016 0.000 1.136 612 D HN 0.410 nan 8.370 nan 0.000 0.469 613 V N 1.494 121.349 119.914 -0.099 0.000 3.070 613 V HA 0.320 4.435 4.120 -0.009 0.000 0.345 613 V C 1.687 177.665 176.094 -0.193 0.000 1.403 613 V CA -0.411 61.746 62.300 -0.239 0.000 1.155 613 V CB -0.167 31.486 31.823 -0.284 0.000 1.140 613 V HN 0.400 nan 8.190 nan 0.000 0.505 614 R N 2.272 122.699 120.500 -0.123 0.000 2.117 614 R HA -0.131 4.204 4.340 -0.009 0.000 0.243 614 R C 1.794 178.047 176.300 -0.079 0.000 1.143 614 R CA 2.121 58.167 56.100 -0.090 0.000 0.968 614 R CB -0.282 29.982 30.300 -0.061 0.000 0.863 614 R HN 0.839 nan 8.270 nan 0.000 0.444 615 D N 0.090 120.436 120.400 -0.089 0.000 2.363 615 D HA -0.123 4.511 4.640 -0.009 0.000 0.226 615 D C 0.821 177.072 176.300 -0.082 0.000 1.020 615 D CA 0.480 54.438 54.000 -0.069 0.000 0.892 615 D CB -0.093 40.673 40.800 -0.057 0.000 0.900 615 D HN 0.217 nan 8.370 nan 0.000 0.531 616 R N 0.462 120.883 120.500 -0.131 0.000 2.426 616 R HA 0.345 4.680 4.340 -0.009 0.000 0.263 616 R C 0.630 176.910 176.300 -0.033 0.000 0.961 616 R CA -0.249 55.775 56.100 -0.127 0.000 1.086 616 R CB 0.531 30.671 30.300 -0.266 0.000 1.186 616 R HN 0.082 nan 8.270 nan 0.000 0.537 617 A N 2.595 125.414 122.820 -0.000 0.000 2.448 617 A HA 0.251 4.566 4.320 -0.009 0.000 0.239 617 A C -2.071 175.562 177.584 0.081 0.000 1.080 617 A CA -0.993 51.079 52.037 0.058 0.000 0.779 617 A CB -0.109 18.925 19.000 0.057 0.000 1.026 617 A HN -0.021 nan 8.150 nan 0.000 0.499 618 P HA 0.151 nan 4.420 nan 0.000 0.268 618 P C 0.865 178.231 177.300 0.109 0.000 1.204 618 P CA 0.051 63.211 63.100 0.101 0.000 0.768 618 P CB 0.587 32.352 31.700 0.108 0.000 0.842 619 T N 2.485 117.108 114.554 0.115 0.000 2.529 619 T HA -0.159 4.186 4.350 -0.009 0.000 0.261 619 T C 1.814 176.590 174.700 0.126 0.000 1.110 619 T CA 2.116 64.320 62.100 0.175 0.000 1.192 619 T CB -1.030 67.928 68.868 0.151 0.000 0.864 619 T HN 0.638 nan 8.240 nan 0.000 0.407 620 G N 0.932 109.747 108.800 0.026 0.000 3.026 620 G HA2 0.291 4.246 3.960 -0.009 0.000 0.208 620 G HA3 0.291 4.246 3.960 -0.009 0.000 0.208 620 G C 0.207 175.051 174.900 -0.094 0.000 1.169 620 G CA -0.185 44.860 45.100 -0.092 0.000 0.788 620 G HN 0.422 nan 8.290 nan 0.000 0.533 621 V N 0.727 120.625 119.914 -0.028 0.000 2.385 621 V HA 0.224 4.339 4.120 -0.009 0.000 0.269 621 V C 1.547 177.621 176.094 -0.033 0.000 1.043 621 V CA -0.550 61.746 62.300 -0.006 0.000 0.906 621 V CB 1.294 33.152 31.823 0.058 0.000 0.995 621 V HN 0.402 nan 8.190 nan 0.000 0.467 622 R N 3.082 123.549 120.500 -0.055 0.000 2.092 622 R HA -0.047 4.288 4.340 -0.009 0.000 0.231 622 R C 0.703 176.969 176.300 -0.055 0.000 1.119 622 R CA 1.188 57.247 56.100 -0.067 0.000 0.970 622 R CB 0.286 30.546 30.300 -0.067 0.000 0.864 622 R HN 0.869 nan 8.270 nan 0.000 0.440 623 Q N -1.154 118.622 119.800 -0.039 0.000 2.482 623 Q HA 0.550 4.885 4.340 -0.009 0.000 0.286 623 Q C -0.833 175.145 176.000 -0.037 0.000 1.007 623 Q CA -0.445 55.282 55.803 -0.126 0.000 0.801 623 Q CB 1.905 30.519 28.738 -0.207 0.000 1.455 623 Q HN 0.181 nan 8.270 nan 0.000 0.398 624 G N 0.109 108.780 108.800 -0.215 0.000 2.345 624 G HA2 0.287 4.242 3.960 -0.009 0.000 0.285 624 G HA3 0.287 4.242 3.960 -0.009 0.000 0.285 624 G C -1.777 173.069 174.900 -0.089 0.000 1.297 624 G CA -0.950 44.201 45.100 0.084 0.000 0.875 624 G HN 0.302 nan 8.290 nan 0.000 0.506 625 F N 2.278 122.311 119.950 0.140 0.000 2.494 625 F HA 0.460 4.982 4.527 -0.010 0.000 0.351 625 F C 1.155 177.110 175.800 0.257 0.000 1.205 625 F CA -0.139 57.955 58.000 0.156 0.000 1.125 625 F CB 0.579 39.616 39.000 0.061 0.000 1.268 625 F HN 0.009 nan 8.300 nan 0.000 0.593 626 M N 5.082 124.836 119.600 0.257 0.000 2.249 626 M HA 0.332 4.807 4.480 -0.009 0.000 0.351 626 M C -2.356 174.083 176.300 0.230 0.000 1.180 626 M CA -2.614 52.819 55.300 0.221 0.000 1.127 626 M CB 0.638 33.268 32.600 0.050 0.000 1.546 626 M HN 0.134 nan 8.290 nan 0.000 0.461 627 P HA 0.329 nan 4.420 nan 0.000 0.279 627 P C -0.121 177.058 177.300 -0.202 0.000 1.252 627 P CA -0.248 62.660 63.100 -0.319 0.000 0.811 627 P CB 0.898 32.390 31.700 -0.348 0.000 1.035 628 S N -0.728 114.824 115.700 -0.247 0.000 3.624 628 S HA 0.229 4.693 4.470 -0.009 0.000 0.244 628 S C 0.204 174.729 174.600 -0.125 0.000 1.115 628 S CA 0.165 58.282 58.200 -0.138 0.000 0.820 628 S CB -0.325 62.820 63.200 -0.091 0.000 0.964 628 S HN 0.379 nan 8.310 nan 0.000 0.508 629 T N 2.030 116.506 114.554 -0.130 0.000 2.861 629 T HA 0.834 5.179 4.350 -0.009 0.000 0.287 629 T C -0.961 173.703 174.700 -0.060 0.000 1.003 629 T CA -0.188 61.871 62.100 -0.067 0.000 0.977 629 T CB 1.692 70.546 68.868 -0.024 0.000 0.996 629 T HN 0.692 nan 8.240 nan 0.000 0.448 630 A N 2.312 125.135 122.820 0.006 0.000 2.304 630 A HA 0.722 5.037 4.320 -0.009 0.000 0.323 630 A C -0.366 177.281 177.584 0.103 0.000 1.195 630 A CA -0.619 51.450 52.037 0.053 0.000 0.826 630 A CB 0.693 19.756 19.000 0.104 0.000 1.184 630 A HN 0.682 nan 8.150 nan 0.000 0.496 631 V N 3.578 123.569 119.914 0.128 0.000 2.318 631 V HA 0.192 4.307 4.120 -0.009 0.000 0.271 631 V C -0.268 175.962 176.094 0.227 0.000 1.030 631 V CA -0.166 62.232 62.300 0.164 0.000 0.844 631 V CB 0.417 32.340 31.823 0.167 0.000 1.015 631 V HN 0.897 nan 8.190 nan 0.000 0.460 632 H N 4.387 123.503 119.070 0.077 0.000 2.572 632 H HA 0.601 5.153 4.556 -0.006 0.000 0.248 632 H C 0.740 176.076 175.328 0.014 0.000 1.397 632 H CA 0.025 56.104 56.048 0.052 0.000 1.319 632 H CB 1.101 30.885 29.762 0.036 0.000 1.452 632 H HN 0.645 nan 8.280 nan 0.000 0.535 633 A N 2.691 125.440 122.820 -0.117 0.000 1.975 633 A HA -0.019 4.296 4.320 -0.009 0.000 0.215 633 A C 1.259 178.621 177.584 -0.370 0.000 1.170 633 A CA 0.627 52.512 52.037 -0.253 0.000 0.656 633 A CB -0.082 18.675 19.000 -0.405 0.000 0.821 633 A HN 0.827 nan 8.150 nan 0.000 0.449 634 N N -1.077 117.376 118.700 -0.412 0.000 2.756 634 N HA -0.122 4.613 4.740 -0.009 0.000 0.248 634 N C -0.349 174.997 175.510 -0.273 0.000 1.062 634 N CA 0.799 53.640 53.050 -0.349 0.000 0.696 634 N CB -0.487 37.778 38.487 -0.370 0.000 0.946 634 N HN 0.408 nan 8.380 nan 0.000 0.548 635 K N 0.081 120.281 120.400 -0.333 0.000 2.536 635 K HA 0.283 4.598 4.320 -0.009 0.000 0.203 635 K C 0.973 177.470 176.600 -0.172 0.000 1.063 635 K CA 0.517 56.590 56.287 -0.357 0.000 1.063 635 K CB 0.503 32.560 32.500 -0.738 0.000 0.843 635 K HN 0.577 nan 8.250 nan 0.000 0.521 636 G N 1.877 110.643 108.800 -0.057 0.000 2.725 636 G HA2 -0.269 3.686 3.960 -0.009 0.000 0.220 636 G HA3 -0.269 3.686 3.960 -0.009 0.000 0.220 636 G C -0.738 174.274 174.900 0.187 0.000 1.357 636 G CA -0.766 44.369 45.100 0.058 0.000 0.866 636 G HN 0.179 nan 8.290 nan 0.000 0.548 637 K N 0.412 120.906 120.400 0.158 0.000 2.286 637 K HA 0.443 4.758 4.320 -0.009 0.000 0.256 637 K C 1.117 177.828 176.600 0.185 0.000 0.999 637 K CA 0.659 57.039 56.287 0.155 0.000 0.908 637 K CB 0.216 32.768 32.500 0.087 0.000 0.981 637 K HN 0.879 nan 8.250 nan 0.000 0.500 638 T N -2.004 112.588 114.554 0.063 0.000 2.909 638 T HA 0.126 4.471 4.350 -0.009 0.000 0.289 638 T C 0.974 175.641 174.700 -0.054 0.000 1.005 638 T CA -0.710 61.322 62.100 -0.112 0.000 1.084 638 T CB 1.393 70.155 68.868 -0.176 0.000 0.975 638 T HN 0.562 nan 8.240 nan 0.000 0.509 639 S N 0.389 116.040 115.700 -0.081 0.000 2.505 639 S HA 0.610 5.075 4.470 -0.009 0.000 0.216 639 S C 0.586 175.167 174.600 -0.032 0.000 1.018 639 S CA -0.101 58.084 58.200 -0.025 0.000 0.911 639 S CB 0.021 63.223 63.200 0.004 0.000 0.818 639 S HN 1.459 nan 8.310 nan 0.000 0.497 640 A N 1.001 123.778 122.820 -0.072 0.000 2.590 640 A HA 0.686 5.001 4.320 -0.009 0.000 0.294 640 A C -1.420 176.126 177.584 -0.064 0.000 1.046 640 A CA -0.924 51.087 52.037 -0.043 0.000 0.684 640 A CB 0.495 19.484 19.000 -0.017 0.000 1.279 640 A HN 0.928 nan 8.150 nan 0.000 0.415 641 I N -1.012 119.549 120.570 -0.015 0.000 2.913 641 I HA 0.832 4.997 4.170 -0.009 0.000 0.302 641 I C -1.309 174.847 176.117 0.064 0.000 1.246 641 I CA -0.780 60.527 61.300 0.010 0.000 1.010 641 I CB 2.630 40.634 38.000 0.007 0.000 1.259 641 I HN 0.551 nan 8.210 nan 0.000 0.434 642 N N 2.988 121.757 118.700 0.115 0.000 2.616 642 N HA 0.213 4.948 4.740 -0.009 0.000 0.281 642 N C -2.104 173.510 175.510 0.173 0.000 1.145 642 N CA -0.372 52.780 53.050 0.170 0.000 0.919 642 N CB 2.101 40.736 38.487 0.248 0.000 1.509 642 N HN 0.934 nan 8.380 nan 0.000 0.537 643 N N 1.744 120.496 118.700 0.087 0.000 2.415 643 N HA 0.136 4.870 4.740 -0.009 0.000 0.246 643 N C 0.390 175.863 175.510 -0.061 0.000 1.078 643 N CA -0.291 52.762 53.050 0.004 0.000 0.942 643 N CB 0.581 39.075 38.487 0.012 0.000 1.140 643 N HN 0.554 nan 8.380 nan 0.000 0.501 644 S N 2.976 118.544 115.700 -0.219 0.000 2.606 644 S HA 0.102 4.566 4.470 -0.009 0.000 0.257 644 S C 0.742 175.219 174.600 -0.204 0.000 1.327 644 S CA -0.521 57.502 58.200 -0.295 0.000 0.984 644 S CB 0.740 63.426 63.200 -0.856 0.000 0.941 644 S HN 0.577 nan 8.310 nan 0.000 0.576 645 N N 0.520 119.135 118.700 -0.142 0.000 2.276 645 N HA 0.218 4.953 4.740 -0.009 0.000 0.212 645 N C 0.336 175.775 175.510 -0.120 0.000 1.127 645 N CA 0.244 53.224 53.050 -0.116 0.000 0.834 645 N CB -0.253 38.196 38.487 -0.063 0.000 1.014 645 N HN 0.764 nan 8.380 nan 0.000 0.491 646 I N -5.129 115.337 120.570 -0.174 0.000 3.621 646 I HA 0.440 4.604 4.170 -0.009 0.000 0.325 646 I C 0.954 176.845 176.117 -0.377 0.000 1.554 646 I CA -0.555 60.642 61.300 -0.172 0.000 1.053 646 I CB 0.542 38.514 38.000 -0.046 0.000 1.302 646 I HN -0.093 nan 8.210 nan 0.000 0.518 647 G N 1.415 109.978 108.800 -0.394 0.000 2.253 647 G HA2 -0.276 3.679 3.960 -0.009 0.000 0.251 647 G HA3 -0.276 3.679 3.960 -0.009 0.000 0.251 647 G C -0.042 174.462 174.900 -0.660 0.000 0.998 647 G CA 0.003 44.781 45.100 -0.535 0.000 0.621 647 G HN 0.390 nan 8.290 nan 0.000 0.524 648 F N 0.256 119.970 119.950 -0.393 0.000 2.399 648 F HA 0.688 5.210 4.527 -0.008 0.000 0.328 648 F C 0.492 176.040 175.800 -0.419 0.000 1.084 648 F CA -0.990 56.762 58.000 -0.414 0.000 1.053 648 F CB 2.119 40.795 39.000 -0.540 0.000 1.209 648 F HN 0.002 nan 8.300 nan 0.000 0.502 649 V N 1.398 121.322 119.914 0.016 0.000 2.525 649 V HA 0.631 4.745 4.120 -0.009 0.000 0.299 649 V C 0.003 176.214 176.094 0.194 0.000 1.034 649 V CA -0.885 61.448 62.300 0.055 0.000 0.863 649 V CB 1.524 33.374 31.823 0.046 0.000 0.999 649 V HN 0.925 nan 8.190 nan 0.000 0.423 650 G N 4.613 113.595 108.800 0.305 0.000 2.356 650 G HA2 0.786 4.741 3.960 -0.009 0.000 0.322 650 G HA3 0.786 4.741 3.960 -0.009 0.000 0.322 650 G C -0.918 174.045 174.900 0.105 0.000 1.125 650 G CA -0.439 44.807 45.100 0.244 0.000 0.885 650 G HN 0.606 nan 8.290 nan 0.000 0.467 651 I N 1.165 121.761 120.570 0.042 0.000 2.569 651 I HA 0.564 4.729 4.170 -0.009 0.000 0.290 651 I C -0.005 176.017 176.117 -0.159 0.000 1.088 651 I CA -0.908 60.338 61.300 -0.089 0.000 1.047 651 I CB 2.342 40.283 38.000 -0.099 0.000 1.237 651 I HN 0.593 nan 8.210 nan 0.000 0.421 652 A N 5.583 128.242 122.820 -0.268 0.000 2.365 652 A HA 0.850 5.165 4.320 -0.009 0.000 0.318 652 A C -1.715 175.650 177.584 -0.365 0.000 1.091 652 A CA -0.365 51.566 52.037 -0.177 0.000 0.763 652 A CB 0.995 19.964 19.000 -0.052 0.000 1.248 652 A HN 0.580 nan 8.150 nan 0.000 0.442 653 Y N 0.833 121.155 120.300 0.036 0.000 2.409 653 Y HA 0.494 5.039 4.550 -0.009 0.000 0.339 653 Y C 1.406 177.320 175.900 0.024 0.000 1.033 653 Y CA 0.049 58.166 58.100 0.028 0.000 1.094 653 Y CB 2.054 40.526 38.460 0.019 0.000 1.210 653 Y HN 0.818 nan 8.280 nan 0.000 0.456 654 A N 2.322 125.237 122.820 0.158 0.000 1.958 654 A HA -0.251 4.064 4.320 -0.009 0.000 0.221 654 A C 2.154 179.795 177.584 0.094 0.000 1.178 654 A CA 2.317 54.412 52.037 0.096 0.000 0.642 654 A CB -1.105 17.941 19.000 0.076 0.000 0.816 654 A HN 0.924 nan 8.150 nan 0.000 0.453 655 A N -2.438 120.450 122.820 0.114 0.000 2.216 655 A HA 0.354 4.669 4.320 -0.009 0.000 0.214 655 A C 1.952 179.576 177.584 0.068 0.000 1.160 655 A CA 1.504 53.583 52.037 0.069 0.000 0.725 655 A CB -0.785 18.238 19.000 0.038 0.000 0.784 655 A HN 1.917 nan 8.150 nan 0.000 0.472 656 G N -1.741 107.120 108.800 0.103 0.000 2.316 656 G HA2 -0.179 3.776 3.960 -0.009 0.000 0.203 656 G HA3 -0.179 3.776 3.960 -0.009 0.000 0.203 656 G C 0.567 175.538 174.900 0.118 0.000 0.999 656 G CA 0.373 45.527 45.100 0.091 0.000 0.649 656 G HN 0.909 nan 8.290 nan 0.000 0.489 657 S N 0.200 115.987 115.700 0.145 0.000 2.568 657 S HA 0.562 5.027 4.470 -0.009 0.000 0.282 657 S C -0.261 174.498 174.600 0.266 0.000 1.338 657 S CA 0.350 58.650 58.200 0.166 0.000 1.045 657 S CB 0.982 64.232 63.200 0.083 0.000 0.873 657 S HN 1.266 nan 8.310 nan 0.000 0.516 658 L N 5.624 126.973 121.223 0.211 0.000 2.409 658 L HA 0.653 4.988 4.340 -0.009 0.000 0.272 658 L C -0.853 176.148 176.870 0.218 0.000 0.980 658 L CA -0.178 54.783 54.840 0.202 0.000 0.826 658 L CB 1.659 43.835 42.059 0.194 0.000 1.268 658 L HN 0.828 nan 8.230 nan 0.000 0.407 659 M N 5.234 124.957 119.600 0.205 0.000 2.464 659 M HA 0.576 5.051 4.480 -0.009 0.000 0.308 659 M C -2.139 174.263 176.300 0.171 0.000 1.127 659 M CA -0.927 54.494 55.300 0.203 0.000 0.913 659 M CB 2.032 34.772 32.600 0.233 0.000 1.689 659 M HN 0.648 nan 8.290 nan 0.000 0.445 660 L N 6.024 127.359 121.223 0.187 0.000 2.376 660 L HA 0.650 4.985 4.340 -0.009 0.000 0.275 660 L C -1.734 175.245 176.870 0.180 0.000 0.987 660 L CA -0.202 54.735 54.840 0.161 0.000 0.828 660 L CB 1.555 43.663 42.059 0.080 0.000 1.249 660 L HN 0.699 nan 8.230 nan 0.000 0.409 661 I N 3.626 124.308 120.570 0.185 0.000 2.493 661 I HA 0.378 4.543 4.170 -0.009 0.000 0.298 661 I C -0.846 175.386 176.117 0.192 0.000 0.998 661 I CA -0.688 60.708 61.300 0.161 0.000 1.137 661 I CB 1.992 40.055 38.000 0.105 0.000 1.310 661 I HN 0.535 nan 8.210 nan 0.000 0.445 662 D N 4.900 125.385 120.400 0.143 0.000 2.349 662 D HA 0.260 4.895 4.640 -0.009 0.000 0.232 662 D C 0.884 177.128 176.300 -0.094 0.000 1.071 662 D CA -0.390 53.599 54.000 -0.018 0.000 0.832 662 D CB 1.268 42.128 40.800 0.100 0.000 1.086 662 D HN 0.374 nan 8.370 nan 0.000 0.504 663 R N 2.129 122.511 120.500 -0.196 0.000 2.152 663 R HA -0.008 4.327 4.340 -0.009 0.000 0.232 663 R C 0.573 176.811 176.300 -0.103 0.000 1.117 663 R CA 0.680 56.702 56.100 -0.130 0.000 0.981 663 R CB 0.112 30.321 30.300 -0.151 0.000 0.870 663 R HN 0.258 nan 8.270 nan 0.000 0.451 664 R N 0.423 120.844 120.500 -0.131 0.000 2.413 664 R HA 0.053 4.388 4.340 -0.009 0.000 0.333 664 R C 0.469 176.763 176.300 -0.011 0.000 1.074 664 R CA 0.535 56.599 56.100 -0.059 0.000 0.982 664 R CB 0.549 30.832 30.300 -0.029 0.000 0.981 664 R HN 0.408 nan 8.270 nan 0.000 0.452 665 G N 3.543 112.338 108.800 -0.009 0.000 2.067 665 G HA2 -0.147 3.808 3.960 -0.009 0.000 0.080 665 G HA3 -0.147 3.808 3.960 -0.009 0.000 0.080 665 G C -2.205 172.696 174.900 0.001 0.000 2.159 665 G CA -0.723 44.383 45.100 0.009 0.000 1.192 665 G HN 0.555 nan 8.290 nan 0.000 0.351 666 P HA 0.788 nan 4.420 nan 0.000 0.284 666 P C -0.692 176.627 177.300 0.032 0.000 1.258 666 P CA 0.461 63.566 63.100 0.008 0.000 0.824 666 P CB 1.959 33.659 31.700 -0.000 0.000 1.038 667 A N 1.558 124.409 122.820 0.052 0.000 2.606 667 A HA 0.603 4.918 4.320 -0.009 0.000 0.293 667 A C -0.864 176.777 177.584 0.095 0.000 1.082 667 A CA -0.817 51.262 52.037 0.070 0.000 0.685 667 A CB 0.988 20.034 19.000 0.077 0.000 1.284 667 A HN 0.472 nan 8.150 nan 0.000 0.408 668 I N 2.318 122.941 120.570 0.089 0.000 2.325 668 I HA 0.253 4.418 4.170 -0.009 0.000 0.291 668 I C 0.894 177.079 176.117 0.113 0.000 1.019 668 I CA -0.070 61.291 61.300 0.102 0.000 1.302 668 I CB 1.071 39.116 38.000 0.075 0.000 1.401 668 I HN 0.699 nan 8.210 nan 0.000 0.485 669 I N 4.183 124.845 120.570 0.154 0.000 4.018 669 I HA 0.309 4.474 4.170 -0.009 0.000 0.337 669 I C -0.354 175.884 176.117 0.202 0.000 1.327 669 I CA -0.149 61.252 61.300 0.169 0.000 1.100 669 I CB 0.349 38.477 38.000 0.214 0.000 1.025 669 I HN 0.490 nan 8.210 nan 0.000 0.396 670 Y N 1.813 122.124 120.300 0.018 0.000 2.409 670 Y HA 0.603 5.148 4.550 -0.009 0.000 0.321 670 Y C -1.652 174.237 175.900 -0.018 0.000 1.209 670 Y CA -1.139 56.949 58.100 -0.021 0.000 1.086 670 Y CB 1.714 40.117 38.460 -0.095 0.000 1.320 670 Y HN 0.117 nan 8.280 nan 0.000 0.440 671 M N 6.456 125.699 119.600 -0.596 0.000 2.356 671 M HA 0.381 4.856 4.480 -0.009 0.000 0.215 671 M C -2.320 173.718 176.300 -0.436 0.000 0.978 671 M CA -0.054 55.043 55.300 -0.339 0.000 0.972 671 M CB 0.942 33.472 32.600 -0.117 0.000 2.529 671 M HN 0.684 nan 8.290 nan 0.000 0.447 672 E N 2.102 122.074 120.200 -0.380 0.000 2.393 672 E HA 0.379 4.724 4.350 -0.009 0.000 0.273 672 E C -1.392 175.203 176.600 -0.008 0.000 0.918 672 E CA -0.872 55.408 56.400 -0.200 0.000 0.773 672 E CB 2.082 31.657 29.700 -0.209 0.000 1.275 672 E HN 0.641 nan 8.360 nan 0.000 0.451 673 N N 2.046 120.752 118.700 0.010 0.000 2.414 673 N HA 0.078 4.813 4.740 -0.009 0.000 0.256 673 N C 0.939 176.495 175.510 0.078 0.000 1.029 673 N CA -0.156 52.922 53.050 0.047 0.000 0.948 673 N CB 0.637 39.137 38.487 0.021 0.000 1.102 673 N HN 0.513 nan 8.380 nan 0.000 0.496 674 I N 2.493 123.130 120.570 0.111 0.000 2.850 674 I HA -0.110 4.055 4.170 -0.009 0.000 0.266 674 I C 1.699 177.863 176.117 0.079 0.000 1.257 674 I CA 1.028 62.402 61.300 0.122 0.000 1.465 674 I CB -0.102 37.979 38.000 0.135 0.000 1.091 674 I HN 0.381 nan 8.210 nan 0.000 0.467 675 R N 1.022 121.557 120.500 0.058 0.000 2.193 675 R HA -0.088 4.247 4.340 -0.009 0.000 0.229 675 R C 1.328 177.647 176.300 0.032 0.000 1.110 675 R CA 1.264 57.387 56.100 0.039 0.000 0.988 675 R CB -0.359 29.959 30.300 0.030 0.000 0.871 675 R HN 0.510 nan 8.270 nan 0.000 0.458 676 E N -0.229 119.993 120.200 0.037 0.000 2.445 676 E HA 0.081 4.426 4.350 -0.009 0.000 0.189 676 E C 0.860 177.480 176.600 0.034 0.000 1.069 676 E CA 0.296 56.714 56.400 0.029 0.000 0.871 676 E CB 0.439 30.154 29.700 0.025 0.000 0.991 676 E HN 0.336 nan 8.360 nan 0.000 0.481 677 I N -1.505 119.090 120.570 0.042 0.000 4.624 677 I HA 0.046 4.211 4.170 -0.009 0.000 0.327 677 I C 0.790 176.918 176.117 0.020 0.000 1.295 677 I CA -0.192 61.130 61.300 0.036 0.000 1.267 677 I CB 0.801 38.838 38.000 0.061 0.000 1.249 677 I HN -0.116 nan 8.210 nan 0.000 0.440 678 S N 1.267 116.981 115.700 0.023 0.000 2.549 678 S HA 0.151 4.615 4.470 -0.009 0.000 0.286 678 S C 1.263 175.866 174.600 0.004 0.000 1.314 678 S CA 0.523 58.731 58.200 0.012 0.000 1.062 678 S CB 1.125 64.334 63.200 0.016 0.000 0.865 678 S HN 0.418 nan 8.310 nan 0.000 0.498 679 G N 3.037 111.836 108.800 -0.003 0.000 2.744 679 G HA2 0.478 4.433 3.960 -0.009 0.000 0.211 679 G HA3 0.478 4.433 3.960 -0.009 0.000 0.211 679 G C 0.505 175.401 174.900 -0.007 0.000 1.146 679 G CA 0.461 45.557 45.100 -0.006 0.000 0.787 679 G HN 0.940 nan 8.290 nan 0.000 0.534 680 A N -0.117 122.700 122.820 -0.006 0.000 3.444 680 A HA 0.720 5.035 4.320 -0.009 0.000 0.189 680 A C 0.306 177.888 177.584 -0.003 0.000 1.542 680 A CA -0.351 51.682 52.037 -0.007 0.000 0.867 680 A CB 0.433 19.428 19.000 -0.009 0.000 1.712 680 A HN 0.012 nan 8.150 nan 0.000 0.556 681 Q N 0.653 120.451 119.800 -0.004 0.000 2.268 681 Q HA 0.343 4.678 4.340 -0.009 0.000 0.289 681 Q C -0.568 175.433 176.000 0.002 0.000 0.893 681 Q CA -0.009 55.793 55.803 -0.002 0.000 1.057 681 Q CB 0.432 29.166 28.738 -0.007 0.000 1.173 681 Q HN 0.500 nan 8.270 nan 0.000 0.449 682 S N 0.376 116.080 115.700 0.007 0.000 2.546 682 S HA 0.118 4.583 4.470 -0.009 0.000 0.290 682 S C 1.017 175.629 174.600 0.021 0.000 1.262 682 S CA 0.289 58.498 58.200 0.014 0.000 1.083 682 S CB 0.861 64.073 63.200 0.020 0.000 0.859 682 S HN 0.583 nan 8.310 nan 0.000 0.495 683 A N 2.876 125.708 122.820 0.021 0.000 1.997 683 A HA 0.296 4.610 4.320 -0.009 0.000 0.212 683 A C 0.983 178.591 177.584 0.039 0.000 1.178 683 A CA 0.759 52.811 52.037 0.026 0.000 0.698 683 A CB -0.378 18.633 19.000 0.019 0.000 0.842 683 A HN 1.063 nan 8.150 nan 0.000 0.458 684 C N -4.204 115.121 119.300 0.041 0.000 3.275 684 C HA 0.629 5.083 4.460 -0.009 0.000 0.340 684 C C -0.720 174.298 174.990 0.047 0.000 1.366 684 C CA -1.058 57.992 59.018 0.053 0.000 1.227 684 C CB 0.703 28.476 27.740 0.055 0.000 1.512 684 C HN 0.148 nan 8.230 nan 0.000 0.461 685 V N 2.278 122.222 119.914 0.049 0.000 2.461 685 V HA 0.445 4.560 4.120 -0.009 0.000 0.275 685 V C 1.493 177.603 176.094 0.025 0.000 1.047 685 V CA 0.920 63.242 62.300 0.038 0.000 0.955 685 V CB 1.351 33.196 31.823 0.038 0.000 0.988 685 V HN 1.152 nan 8.190 nan 0.000 0.471 686 T N -0.313 114.259 114.554 0.030 0.000 3.040 686 T HA 0.196 4.541 4.350 -0.009 0.000 0.250 686 T C 0.256 174.979 174.700 0.038 0.000 1.058 686 T CA -0.122 62.000 62.100 0.037 0.000 0.988 686 T CB 0.069 68.971 68.868 0.057 0.000 0.993 686 T HN 0.555 nan 8.240 nan 0.000 0.519 687 C N 0.654 119.967 119.300 0.021 0.000 3.090 687 C HA 0.745 5.200 4.460 -0.009 0.000 0.347 687 C C -1.799 173.179 174.990 -0.020 0.000 1.147 687 C CA -1.144 57.881 59.018 0.011 0.000 1.305 687 C CB 0.625 28.374 27.740 0.014 0.000 1.692 687 C HN 0.586 nan 8.230 nan 0.000 0.506 688 I N 3.811 124.363 120.570 -0.030 0.000 2.582 688 I HA 0.616 4.781 4.170 -0.009 0.000 0.292 688 I C -0.805 175.252 176.117 -0.099 0.000 1.066 688 I CA -0.169 61.073 61.300 -0.096 0.000 1.053 688 I CB 2.065 40.014 38.000 -0.086 0.000 1.241 688 I HN 0.587 nan 8.210 nan 0.000 0.421 689 E N 4.400 124.467 120.200 -0.222 0.000 2.390 689 E HA 0.596 4.940 4.350 -0.009 0.000 0.277 689 E C -1.977 174.411 176.600 -0.354 0.000 0.939 689 E CA -0.556 55.761 56.400 -0.138 0.000 0.769 689 E CB 1.791 31.468 29.700 -0.038 0.000 1.251 689 E HN 0.267 nan 8.360 nan 0.000 0.450 690 F N 2.519 122.474 119.950 0.008 0.000 2.444 690 F HA 0.607 5.128 4.527 -0.009 0.000 0.342 690 F C -0.093 175.714 175.800 0.011 0.000 1.121 690 F CA -0.702 57.298 58.000 -0.001 0.000 0.997 690 F CB 1.726 40.730 39.000 0.007 0.000 1.130 690 F HN 0.299 nan 8.300 nan 0.000 0.454 691 V N 1.326 121.320 119.914 0.134 0.000 3.130 691 V HA 0.693 4.808 4.120 -0.009 0.000 0.310 691 V C -0.994 175.153 176.094 0.089 0.000 1.158 691 V CA -0.956 61.401 62.300 0.096 0.000 1.029 691 V CB 2.551 34.402 31.823 0.047 0.000 1.057 691 V HN 0.625 nan 8.190 nan 0.000 0.436 692 I N 4.072 124.687 120.570 0.074 0.000 2.476 692 I HA 0.641 4.805 4.170 -0.009 0.000 0.281 692 I C -0.369 175.778 176.117 0.050 0.000 1.040 692 I CA -0.223 61.120 61.300 0.072 0.000 1.094 692 I CB 1.451 39.499 38.000 0.081 0.000 1.219 692 I HN 0.978 nan 8.210 nan 0.000 0.450 693 M N 3.188 122.811 119.600 0.039 0.000 3.084 693 M HA 0.490 4.965 4.480 -0.009 0.000 0.273 693 M C -1.307 174.991 176.300 -0.004 0.000 1.242 693 M CA -0.929 54.378 55.300 0.011 0.000 0.819 693 M CB 2.182 34.774 32.600 -0.014 0.000 1.625 693 M HN 0.268 nan 8.290 nan 0.000 0.493 694 E N 1.281 121.455 120.200 -0.043 0.000 2.344 694 E HA 0.160 4.505 4.350 -0.009 0.000 0.270 694 E C -1.898 174.651 176.600 -0.085 0.000 1.021 694 E CA -0.299 56.044 56.400 -0.096 0.000 0.887 694 E CB 0.756 30.386 29.700 -0.115 0.000 0.997 694 E HN 0.538 nan 8.360 nan 0.000 0.429 695 Y N 5.546 125.726 120.300 -0.200 0.000 2.316 695 Y HA 0.368 4.913 4.550 -0.008 0.000 0.331 695 Y C 0.901 176.707 175.900 -0.156 0.000 1.083 695 Y CA 0.724 58.729 58.100 -0.158 0.000 1.206 695 Y CB 0.795 39.165 38.460 -0.150 0.000 1.195 695 Y HN 0.846 nan 8.280 nan 0.000 0.497 696 G N 5.040 113.258 108.800 -0.971 0.000 2.690 696 G HA2 -0.440 3.515 3.960 -0.009 0.000 0.334 696 G HA3 -0.440 3.515 3.960 -0.009 0.000 0.334 696 G C 0.030 174.721 174.900 -0.349 0.000 1.250 696 G CA 1.160 45.836 45.100 -0.706 0.000 0.994 696 G HN 0.875 nan 8.290 nan 0.000 0.549 697 D N 1.036 121.285 120.400 -0.251 0.000 2.895 697 D HA 0.410 5.045 4.640 -0.009 0.000 0.350 697 D C 0.939 177.174 176.300 -0.108 0.000 1.389 697 D CA 0.670 54.580 54.000 -0.150 0.000 0.812 697 D CB -0.261 40.472 40.800 -0.110 0.000 1.164 697 D HN 0.388 nan 8.370 nan 0.000 0.455 698 D N -1.066 119.244 120.400 -0.150 0.000 2.340 698 D HA 0.186 4.821 4.640 -0.009 0.000 0.220 698 D C 1.723 177.972 176.300 -0.085 0.000 1.039 698 D CA 0.374 54.303 54.000 -0.119 0.000 0.866 698 D CB -0.026 40.672 40.800 -0.171 0.000 0.913 698 D HN 0.204 nan 8.370 nan 0.000 0.523 699 G N -0.232 108.515 108.800 -0.088 0.000 2.162 699 G HA2 -0.272 3.682 3.960 -0.009 0.000 0.260 699 G HA3 -0.272 3.682 3.960 -0.009 0.000 0.260 699 G C -0.077 174.895 174.900 0.120 0.000 0.976 699 G CA 0.674 45.792 45.100 0.029 0.000 0.655 699 G HN 0.707 nan 8.290 nan 0.000 0.533 700 Y N -1.778 118.539 120.300 0.030 0.000 2.624 700 Y HA 0.764 5.309 4.550 -0.009 0.000 0.334 700 Y C -0.079 175.848 175.900 0.044 0.000 1.155 700 Y CA -1.066 57.054 58.100 0.034 0.000 1.046 700 Y CB 0.434 38.915 38.460 0.036 0.000 1.316 700 Y HN 0.187 nan 8.280 nan 0.000 0.457 701 S N 1.526 117.325 115.700 0.166 0.000 2.580 701 S HA 0.717 5.181 4.470 -0.009 0.000 0.274 701 S C -0.558 174.163 174.600 0.203 0.000 1.329 701 S CA -0.484 57.777 58.200 0.101 0.000 1.036 701 S CB 1.024 64.282 63.200 0.097 0.000 0.919 701 S HN 0.658 nan 8.310 nan 0.000 0.515 702 S N 0.768 116.541 115.700 0.121 0.000 2.661 702 S HA 0.544 5.009 4.470 -0.009 0.000 0.285 702 S C -0.658 174.005 174.600 0.105 0.000 1.138 702 S CA -0.752 57.541 58.200 0.155 0.000 0.855 702 S CB 0.899 64.174 63.200 0.125 0.000 1.136 702 S HN 0.574 nan 8.310 nan 0.000 0.484 703 I N 2.120 122.750 120.570 0.100 0.000 2.301 703 I HA 0.316 4.481 4.170 -0.009 0.000 0.292 703 I C -1.093 175.040 176.117 0.026 0.000 1.046 703 I CA -0.071 61.273 61.300 0.074 0.000 1.282 703 I CB 0.226 38.264 38.000 0.063 0.000 1.409 703 I HN 0.249 nan 8.210 nan 0.000 0.484 704 L N 7.131 128.369 121.223 0.026 0.000 2.365 704 L HA 0.574 4.908 4.340 -0.009 0.000 0.273 704 L C -0.350 176.473 176.870 -0.078 0.000 1.000 704 L CA -0.533 54.291 54.840 -0.026 0.000 0.819 704 L CB 2.005 44.060 42.059 -0.007 0.000 1.284 704 L HN 0.597 nan 8.230 nan 0.000 0.418 705 M N 4.133 123.635 119.600 -0.164 0.000 2.066 705 M HA 0.493 4.968 4.480 -0.009 0.000 0.340 705 M C -1.557 174.607 176.300 -0.227 0.000 1.053 705 M CA -0.558 54.494 55.300 -0.412 0.000 0.983 705 M CB 1.196 33.482 32.600 -0.524 0.000 1.520 705 M HN 0.319 nan 8.290 nan 0.000 0.428 706 V N 5.061 124.831 119.914 -0.239 0.000 2.394 706 V HA 0.428 4.543 4.120 -0.009 0.000 0.282 706 V C -0.540 175.484 176.094 -0.118 0.000 1.031 706 V CA -0.580 61.647 62.300 -0.122 0.000 0.881 706 V CB 1.178 32.950 31.823 -0.084 0.000 0.982 706 V HN 0.966 nan 8.190 nan 0.000 0.451 707 C N 3.885 123.156 119.300 -0.048 0.000 2.408 707 C HA 0.832 5.287 4.460 -0.009 0.000 0.321 707 C C 0.805 175.789 174.990 -0.010 0.000 1.245 707 C CA -0.843 58.159 59.018 -0.026 0.000 1.523 707 C CB 0.824 28.584 27.740 0.033 0.000 2.178 707 C HN 1.041 nan 8.230 nan 0.000 0.488 708 G N 1.887 110.683 108.800 -0.008 0.000 2.371 708 G HA2 0.691 4.646 3.960 -0.009 0.000 0.326 708 G HA3 0.691 4.646 3.960 -0.009 0.000 0.326 708 G C -0.195 174.716 174.900 0.018 0.000 1.127 708 G CA -0.093 45.008 45.100 0.003 0.000 0.885 708 G HN 0.840 nan 8.290 nan 0.000 0.477 709 T N -1.498 113.070 114.554 0.022 0.000 2.937 709 T HA 0.360 4.705 4.350 -0.009 0.000 0.283 709 T C 1.078 175.798 174.700 0.033 0.000 1.012 709 T CA -0.007 62.110 62.100 0.029 0.000 0.997 709 T CB 1.901 70.785 68.868 0.026 0.000 1.136 709 T HN 0.488 nan 8.240 nan 0.000 0.551 710 D N 0.252 120.671 120.400 0.031 0.000 2.310 710 D HA -0.107 4.528 4.640 -0.009 0.000 0.212 710 D C 1.056 177.367 176.300 0.017 0.000 0.965 710 D CA 0.662 54.679 54.000 0.029 0.000 0.879 710 D CB -0.096 40.715 40.800 0.019 0.000 0.921 710 D HN 0.350 nan 8.370 nan 0.000 0.510 711 M N -0.034 119.573 119.600 0.012 0.000 2.549 711 M HA 0.292 4.767 4.480 -0.009 0.000 0.273 711 M C 1.160 177.462 176.300 0.003 0.000 1.213 711 M CA 0.123 55.424 55.300 0.002 0.000 0.976 711 M CB 0.117 32.715 32.600 -0.003 0.000 1.457 711 M HN 0.265 nan 8.290 nan 0.000 0.485 712 G N 1.031 109.840 108.800 0.014 0.000 2.148 712 G HA2 -0.235 3.720 3.960 -0.009 0.000 0.254 712 G HA3 -0.235 3.720 3.960 -0.009 0.000 0.254 712 G C 0.003 174.903 174.900 0.000 0.000 0.981 712 G CA 0.107 45.213 45.100 0.010 0.000 0.670 712 G HN 0.499 nan 8.290 nan 0.000 0.528 713 E N -0.692 119.509 120.200 0.001 0.000 2.277 713 E HA 0.555 4.900 4.350 -0.009 0.000 0.274 713 E C -0.290 176.305 176.600 -0.007 0.000 1.022 713 E CA -0.658 55.738 56.400 -0.006 0.000 0.853 713 E CB 2.016 31.714 29.700 -0.003 0.000 1.086 713 E HN 0.080 nan 8.360 nan 0.000 0.397 714 V N 4.784 124.687 119.914 -0.018 0.000 2.444 714 V HA 0.350 4.465 4.120 -0.009 0.000 0.294 714 V C -0.341 175.726 176.094 -0.046 0.000 1.022 714 V CA -0.558 61.727 62.300 -0.024 0.000 0.850 714 V CB 1.174 32.983 31.823 -0.024 0.000 0.992 714 V HN 0.519 nan 8.190 nan 0.000 0.426 715 I N 3.833 124.371 120.570 -0.054 0.000 2.339 715 I HA 0.447 4.612 4.170 -0.009 0.000 0.290 715 I C 0.088 176.091 176.117 -0.190 0.000 0.994 715 I CA -0.187 61.031 61.300 -0.137 0.000 1.191 715 I CB 1.834 39.788 38.000 -0.076 0.000 1.343 715 I HN 0.451 nan 8.210 nan 0.000 0.458 716 T N 5.431 119.807 114.554 -0.296 0.000 2.771 716 T HA 0.528 4.873 4.350 -0.009 0.000 0.281 716 T C -0.855 173.563 174.700 -0.471 0.000 0.982 716 T CA -0.350 61.598 62.100 -0.253 0.000 0.978 716 T CB 0.536 69.349 68.868 -0.093 0.000 0.930 716 T HN 0.196 nan 8.240 nan 0.000 0.447 717 Y N 1.383 121.538 120.300 -0.241 0.000 2.468 717 Y HA 0.508 5.053 4.550 -0.008 0.000 0.342 717 Y C 0.563 176.304 175.900 -0.265 0.000 1.021 717 Y CA -1.066 56.864 58.100 -0.282 0.000 1.079 717 Y CB 1.674 39.922 38.460 -0.354 0.000 1.226 717 Y HN 0.318 nan 8.280 nan 0.000 0.460 718 K N 3.287 123.634 120.400 -0.088 0.000 2.235 718 K HA 0.547 4.862 4.320 -0.009 0.000 0.266 718 K C -1.227 175.343 176.600 -0.051 0.000 0.980 718 K CA -0.454 55.777 56.287 -0.093 0.000 0.849 718 K CB 1.012 33.438 32.500 -0.123 0.000 1.098 718 K HN 0.599 nan 8.250 nan 0.000 0.445 719 I N 5.847 126.383 120.570 -0.057 0.000 2.330 719 I HA 0.181 4.346 4.170 -0.009 0.000 0.286 719 I C -0.930 175.237 176.117 0.084 0.000 1.025 719 I CA -0.831 60.420 61.300 -0.081 0.000 1.197 719 I CB 0.629 38.435 38.000 -0.324 0.000 1.358 719 I HN 0.250 nan 8.210 nan 0.000 0.467 720 L N 8.799 130.116 121.223 0.157 0.000 2.296 720 L HA 0.496 4.831 4.340 -0.009 0.000 0.286 720 L C -2.371 174.653 176.870 0.257 0.000 1.023 720 L CA -1.662 53.296 54.840 0.197 0.000 0.812 720 L CB 0.567 42.693 42.059 0.110 0.000 1.223 720 L HN 0.275 nan 8.230 nan 0.000 0.421 721 P HA 0.175 nan 4.420 nan 0.000 0.266 721 P C -0.600 176.623 177.300 -0.128 0.000 1.215 721 P CA 0.230 63.279 63.100 -0.086 0.000 0.763 721 P CB 0.956 32.660 31.700 0.005 0.000 0.806 722 A N 3.183 125.864 122.820 -0.232 0.000 3.200 722 A HA 0.665 4.980 4.320 -0.009 0.000 0.208 722 A C 0.305 177.804 177.584 -0.141 0.000 1.360 722 A CA -0.335 51.628 52.037 -0.123 0.000 0.892 722 A CB 0.111 19.074 19.000 -0.061 0.000 1.600 722 A HN 0.388 nan 8.150 nan 0.000 0.501 723 S N -1.550 114.098 115.700 -0.087 0.000 2.585 723 S HA 0.432 4.897 4.470 -0.009 0.000 0.273 723 S C 1.122 175.673 174.600 -0.082 0.000 1.339 723 S CA 0.783 58.940 58.200 -0.073 0.000 1.028 723 S CB 0.137 63.312 63.200 -0.041 0.000 0.906 723 S HN 2.471 nan 8.310 nan 0.000 0.528 724 G N 2.115 110.873 108.800 -0.070 0.000 2.225 724 G HA2 -0.081 3.874 3.960 -0.009 0.000 0.267 724 G HA3 -0.081 3.874 3.960 -0.009 0.000 0.267 724 G C 1.178 176.026 174.900 -0.086 0.000 1.024 724 G CA 0.666 45.730 45.100 -0.061 0.000 0.784 724 G HN 2.186 nan 8.290 nan 0.000 0.507 725 G N -1.605 107.110 108.800 -0.142 0.000 2.155 725 G HA2 -0.305 3.650 3.960 -0.009 0.000 0.257 725 G HA3 -0.305 3.650 3.960 -0.009 0.000 0.257 725 G C 0.494 175.213 174.900 -0.301 0.000 0.983 725 G CA 1.477 46.456 45.100 -0.202 0.000 0.676 725 G HN 0.978 nan 8.290 nan 0.000 0.528 726 K N -1.227 119.011 120.400 -0.270 0.000 2.240 726 K HA 0.776 5.090 4.320 -0.009 0.000 0.237 726 K C -0.529 175.832 176.600 -0.398 0.000 1.027 726 K CA -0.601 55.584 56.287 -0.169 0.000 0.937 726 K CB 0.740 33.232 32.500 -0.014 0.000 1.171 726 K HN 0.057 nan 8.250 nan 0.000 0.479 727 F N 0.321 120.347 119.950 0.127 0.000 2.556 727 F HA 0.260 4.782 4.527 -0.009 0.000 0.314 727 F C -0.164 175.685 175.800 0.082 0.000 1.106 727 F CA -1.022 57.052 58.000 0.123 0.000 0.911 727 F CB 1.724 40.846 39.000 0.204 0.000 1.190 727 F HN 0.273 nan 8.300 nan 0.000 0.448 728 D N 1.763 122.293 120.400 0.218 0.000 2.193 728 D HA 0.516 5.151 4.640 -0.009 0.000 0.249 728 D C -0.752 175.620 176.300 0.119 0.000 1.034 728 D CA -0.178 53.907 54.000 0.143 0.000 0.902 728 D CB 2.558 43.414 40.800 0.094 0.000 1.182 728 D HN 0.120 nan 8.370 nan 0.000 0.436 729 V N 1.891 121.868 119.914 0.105 0.000 2.417 729 V HA 0.296 4.411 4.120 -0.009 0.000 0.291 729 V C -0.102 176.045 176.094 0.087 0.000 1.024 729 V CA -0.654 61.675 62.300 0.048 0.000 0.861 729 V CB 1.602 33.428 31.823 0.006 0.000 0.985 729 V HN 0.392 nan 8.190 nan 0.000 0.436 730 Q N 3.667 123.499 119.800 0.054 0.000 2.325 730 Q HA 0.494 4.828 4.340 -0.009 0.000 0.270 730 Q C -1.118 174.885 176.000 0.005 0.000 1.020 730 Q CA -0.635 55.194 55.803 0.044 0.000 0.785 730 Q CB 2.141 30.878 28.738 -0.002 0.000 1.259 730 Q HN 0.774 nan 8.270 nan 0.000 0.452 731 L N 5.248 126.477 121.223 0.010 0.000 2.433 731 L HA 0.043 4.378 4.340 -0.009 0.000 0.275 731 L C 0.638 177.348 176.870 -0.267 0.000 1.128 731 L CA -0.253 54.446 54.840 -0.236 0.000 0.875 731 L CB 0.484 42.454 42.059 -0.149 0.000 1.171 731 L HN 0.898 nan 8.230 nan 0.000 0.463 732 M N 2.979 122.344 119.600 -0.393 0.000 2.216 732 M HA 0.093 4.567 4.480 -0.009 0.000 0.264 732 M C 0.390 176.565 176.300 -0.208 0.000 1.080 732 M CA 1.018 56.089 55.300 -0.383 0.000 1.153 732 M CB -0.724 31.400 32.600 -0.793 0.000 1.356 732 M HN 0.694 nan 8.290 nan 0.000 0.432 733 D N -1.347 118.918 120.400 -0.224 0.000 2.926 733 D HA 0.135 4.770 4.640 -0.009 0.000 0.272 733 D C -1.550 174.658 176.300 -0.154 0.000 1.172 733 D CA -0.543 53.382 54.000 -0.124 0.000 0.731 733 D CB 1.516 42.312 40.800 -0.008 0.000 1.282 733 D HN 0.172 nan 8.370 nan 0.000 0.430 734 I N 0.392 120.900 120.570 -0.104 0.000 2.466 734 I HA 0.526 4.691 4.170 -0.009 0.000 0.289 734 I C -1.477 174.611 176.117 -0.049 0.000 1.026 734 I CA 0.017 61.264 61.300 -0.088 0.000 1.078 734 I CB 1.789 39.742 38.000 -0.078 0.000 1.249 734 I HN 0.453 nan 8.210 nan 0.000 0.429 735 T N 5.016 119.546 114.554 -0.040 0.000 2.886 735 T HA 0.259 4.604 4.350 -0.009 0.000 0.292 735 T C -0.506 174.178 174.700 -0.026 0.000 1.012 735 T CA -0.495 61.587 62.100 -0.030 0.000 0.982 735 T CB 1.294 70.145 68.868 -0.027 0.000 1.018 735 T HN 0.595 nan 8.240 nan 0.000 0.451 736 N N 2.599 121.284 118.700 -0.025 0.000 2.555 736 N HA 0.166 4.901 4.740 -0.009 0.000 0.244 736 N C 0.891 176.384 175.510 -0.028 0.000 1.114 736 N CA -0.179 52.857 53.050 -0.023 0.000 0.963 736 N CB 0.141 38.614 38.487 -0.022 0.000 1.276 736 N HN 0.326 nan 8.380 nan 0.000 0.510 737 V N 1.272 121.170 119.914 -0.026 0.000 2.591 737 V HA 0.033 4.147 4.120 -0.009 0.000 0.249 737 V C 1.119 177.190 176.094 -0.039 0.000 1.053 737 V CA 1.332 63.614 62.300 -0.030 0.000 1.068 737 V CB -0.459 31.351 31.823 -0.022 0.000 0.689 737 V HN 0.769 nan 8.190 nan 0.000 0.462 738 T N -2.442 112.094 114.554 -0.030 0.000 2.942 738 T HA 0.240 4.585 4.350 -0.009 0.000 0.327 738 T C 0.293 174.980 174.700 -0.021 0.000 1.360 738 T CA -0.016 62.063 62.100 -0.035 0.000 1.055 738 T CB 1.939 70.796 68.868 -0.019 0.000 1.261 738 T HN -0.008 nan 8.240 nan 0.000 0.485 739 S N 2.252 117.936 115.700 -0.028 0.000 2.593 739 S HA 0.111 4.576 4.470 -0.009 0.000 0.217 739 S C 0.952 175.553 174.600 0.001 0.000 0.966 739 S CA -0.042 58.146 58.200 -0.020 0.000 0.914 739 S CB 0.004 63.186 63.200 -0.030 0.000 0.776 739 S HN 0.502 nan 8.310 nan 0.000 0.523 740 K N 2.622 123.042 120.400 0.034 0.000 3.129 740 K HA 0.227 4.542 4.320 -0.009 0.000 0.241 740 K C 0.753 177.428 176.600 0.125 0.000 1.239 740 K CA -0.172 56.178 56.287 0.106 0.000 1.239 740 K CB 0.012 32.606 32.500 0.156 0.000 1.347 740 K HN 0.267 nan 8.250 nan 0.000 0.435 741 G N 3.116 111.948 108.800 0.054 0.000 2.664 741 G HA2 0.122 4.077 3.960 -0.009 0.000 0.242 741 G HA3 0.122 4.077 3.960 -0.009 0.000 0.242 741 G C -2.218 172.727 174.900 0.075 0.000 1.225 741 G CA -0.579 44.557 45.100 0.060 0.000 0.849 741 G HN 0.096 nan 8.290 nan 0.000 0.581 742 P HA 0.379 nan 4.420 nan 0.000 0.281 742 P C -0.472 176.946 177.300 0.197 0.000 1.264 742 P CA -0.634 62.538 63.100 0.120 0.000 0.824 742 P CB 1.744 33.499 31.700 0.092 0.000 1.092 743 I N 2.484 123.128 120.570 0.124 0.000 2.337 743 I HA 0.127 4.292 4.170 -0.009 0.000 0.291 743 I C 1.298 177.479 176.117 0.107 0.000 1.046 743 I CA -0.163 61.183 61.300 0.077 0.000 1.324 743 I CB 0.267 38.281 38.000 0.023 0.000 1.409 743 I HN 0.580 nan 8.210 nan 0.000 0.494 744 H N 3.281 122.366 119.070 0.025 0.000 2.893 744 H HA 0.501 5.052 4.556 -0.009 0.000 0.270 744 H C -0.194 175.140 175.328 0.010 0.000 1.095 744 H CA -0.666 55.392 56.048 0.017 0.000 1.186 744 H CB 0.421 30.195 29.762 0.019 0.000 1.562 744 H HN 0.324 nan 8.280 nan 0.000 0.536 745 K N 1.259 121.522 120.400 -0.228 0.000 2.550 745 K HA 0.509 4.824 4.320 -0.009 0.000 0.252 745 K C -2.022 174.522 176.600 -0.092 0.000 0.943 745 K CA -0.425 55.777 56.287 -0.143 0.000 0.806 745 K CB 1.801 34.183 32.500 -0.197 0.000 1.289 745 K HN 0.287 nan 8.250 nan 0.000 0.435 746 I N 2.414 122.964 120.570 -0.033 0.000 2.533 746 I HA 0.477 4.642 4.170 -0.009 0.000 0.290 746 I C -0.975 175.156 176.117 0.023 0.000 1.056 746 I CA -0.784 60.510 61.300 -0.010 0.000 1.057 746 I CB 2.190 40.181 38.000 -0.016 0.000 1.240 746 I HN 0.568 nan 8.210 nan 0.000 0.423 747 D N 3.533 123.962 120.400 0.048 0.000 2.596 747 D HA 0.840 5.475 4.640 -0.009 0.000 0.262 747 D C -1.706 174.667 176.300 0.122 0.000 1.210 747 D CA -0.288 53.766 54.000 0.090 0.000 0.873 747 D CB 3.075 43.933 40.800 0.098 0.000 1.408 747 D HN 0.662 nan 8.370 nan 0.000 0.441 748 A N 0.514 123.435 122.820 0.168 0.000 2.604 748 A HA 0.706 5.021 4.320 -0.009 0.000 0.295 748 A C -1.765 175.983 177.584 0.274 0.000 1.067 748 A CA -0.718 51.415 52.037 0.160 0.000 0.683 748 A CB 1.073 20.101 19.000 0.046 0.000 1.281 748 A HN 0.444 nan 8.150 nan 0.000 0.407 749 F N 0.028 120.026 119.950 0.081 0.000 2.601 749 F HA 0.774 5.295 4.527 -0.009 0.000 0.309 749 F C 0.132 175.972 175.800 0.068 0.000 1.089 749 F CA -0.592 57.471 58.000 0.106 0.000 0.940 749 F CB 1.165 40.244 39.000 0.132 0.000 1.273 749 F HN 0.737 nan 8.300 nan 0.000 0.450 750 S N 1.552 117.309 115.700 0.095 0.000 2.562 750 S HA 0.237 4.702 4.470 -0.009 0.000 0.281 750 S C 0.653 175.261 174.600 0.014 0.000 1.333 750 S CA -0.564 57.632 58.200 -0.007 0.000 1.052 750 S CB 1.200 64.434 63.200 0.057 0.000 0.884 750 S HN 0.863 nan 8.310 nan 0.000 0.506 751 K N 1.732 122.084 120.400 -0.081 0.000 2.097 751 K HA -0.169 4.146 4.320 -0.009 0.000 0.206 751 K C 2.091 178.741 176.600 0.082 0.000 1.049 751 K CA 1.815 58.094 56.287 -0.014 0.000 0.933 751 K CB -0.110 32.358 32.500 -0.054 0.000 0.717 751 K HN 0.879 nan 8.250 nan 0.000 0.442 752 E N 0.050 120.288 120.200 0.064 0.000 2.030 752 E HA -0.070 4.275 4.350 -0.009 0.000 0.189 752 E C 1.484 178.141 176.600 0.095 0.000 0.974 752 E CA 1.134 57.576 56.400 0.070 0.000 0.807 752 E CB 0.280 30.007 29.700 0.046 0.000 0.771 752 E HN 0.072 nan 8.360 nan 0.000 0.451 753 T N 0.484 115.099 114.554 0.100 0.000 3.067 753 T HA 0.038 4.383 4.350 -0.009 0.000 0.261 753 T C 0.171 174.970 174.700 0.164 0.000 1.110 753 T CA 0.547 62.712 62.100 0.109 0.000 1.113 753 T CB -0.021 68.899 68.868 0.085 0.000 0.917 753 T HN 0.217 nan 8.240 nan 0.000 0.499 754 K N 1.749 122.299 120.400 0.250 0.000 3.071 754 K HA -0.141 4.174 4.320 -0.009 0.000 0.265 754 K C -0.153 176.679 176.600 0.387 0.000 1.060 754 K CA 0.299 56.829 56.287 0.406 0.000 0.767 754 K CB -1.936 30.703 32.500 0.231 0.000 1.241 754 K HN 0.590 nan 8.250 nan 0.000 0.486 755 S N -1.329 114.549 115.700 0.297 0.000 2.690 755 S HA 0.451 4.916 4.470 -0.009 0.000 0.291 755 S C 0.222 174.925 174.600 0.172 0.000 1.138 755 S CA -0.823 57.492 58.200 0.191 0.000 1.013 755 S CB 2.086 65.300 63.200 0.023 0.000 1.053 755 S HN 0.200 nan 8.310 nan 0.000 0.539 756 S N -0.705 114.933 115.700 -0.104 0.000 2.558 756 S HA 0.038 4.503 4.470 -0.009 0.000 0.291 756 S C 0.413 175.040 174.600 0.046 0.000 1.306 756 S CA -0.534 57.676 58.200 0.017 0.000 1.056 756 S CB -0.524 62.559 63.200 -0.195 0.000 0.836 756 S HN 0.760 nan 8.310 nan 0.000 0.504 757 C N 5.295 124.651 119.300 0.093 0.000 3.243 757 C HA 0.384 4.839 4.460 -0.009 0.000 0.286 757 C C 0.409 175.439 174.990 0.067 0.000 1.373 757 C CA -0.629 58.426 59.018 0.061 0.000 1.749 757 C CB -1.549 26.216 27.740 0.041 0.000 2.313 757 C HN 0.710 nan 8.230 nan 0.000 0.644 758 L N 2.136 123.405 121.223 0.077 0.000 2.453 758 L HA 0.249 4.584 4.340 -0.009 0.000 0.272 758 L C 0.963 177.883 176.870 0.084 0.000 1.182 758 L CA 0.014 54.909 54.840 0.090 0.000 0.858 758 L CB 0.270 42.384 42.059 0.092 0.000 1.120 758 L HN 0.285 nan 8.230 nan 0.000 0.474 759 A N 3.091 125.980 122.820 0.115 0.000 2.546 759 A HA 0.411 4.726 4.320 -0.009 0.000 0.243 759 A C 0.402 178.023 177.584 0.061 0.000 1.063 759 A CA 0.168 52.266 52.037 0.101 0.000 0.757 759 A CB -0.117 18.972 19.000 0.149 0.000 0.991 759 A HN 0.783 nan 8.150 nan 0.000 0.503 760 T N -0.236 114.345 114.554 0.046 0.000 2.883 760 T HA 0.560 4.904 4.350 -0.009 0.000 0.301 760 T C 0.956 175.670 174.700 0.024 0.000 1.158 760 T CA -0.583 61.531 62.100 0.024 0.000 1.007 760 T CB 0.819 69.702 68.868 0.025 0.000 1.186 760 T HN 0.331 nan 8.240 nan 0.000 0.499 761 I N 1.430 122.004 120.570 0.007 0.000 2.163 761 I HA -0.053 4.112 4.170 -0.009 0.000 0.243 761 I C -0.419 175.714 176.117 0.026 0.000 1.085 761 I CA 0.999 62.305 61.300 0.011 0.000 1.347 761 I CB -0.968 37.028 38.000 -0.007 0.000 1.044 761 I HN 0.576 nan 8.210 nan 0.000 0.408 762 P HA -0.179 nan 4.420 nan 0.000 0.217 762 P C 1.390 178.712 177.300 0.037 0.000 1.150 762 P CA 1.608 64.724 63.100 0.027 0.000 0.832 762 P CB -0.099 31.615 31.700 0.023 0.000 0.787 763 K N -0.758 119.666 120.400 0.040 0.000 2.097 763 K HA -0.069 4.246 4.320 -0.009 0.000 0.205 763 K C 2.391 179.029 176.600 0.063 0.000 1.050 763 K CA 1.193 57.509 56.287 0.049 0.000 0.938 763 K CB -0.445 32.084 32.500 0.049 0.000 0.718 763 K HN 0.099 nan 8.250 nan 0.000 0.442 764 M N 1.037 120.678 119.600 0.068 0.000 2.117 764 M HA -0.249 4.226 4.480 -0.009 0.000 0.262 764 M C 1.855 178.208 176.300 0.088 0.000 1.065 764 M CA 1.679 57.034 55.300 0.092 0.000 1.114 764 M CB 0.069 32.728 32.600 0.098 0.000 1.361 764 M HN 0.107 nan 8.290 nan 0.000 0.408 765 Q N -0.041 119.799 119.800 0.068 0.000 2.226 765 Q HA -0.136 4.199 4.340 -0.009 0.000 0.204 765 Q C 1.421 177.453 176.000 0.054 0.000 0.975 765 Q CA 1.180 57.018 55.803 0.058 0.000 0.866 765 Q CB -0.316 28.448 28.738 0.043 0.000 0.915 765 Q HN 0.600 nan 8.270 nan 0.000 0.440 766 N N 0.541 119.273 118.700 0.054 0.000 2.512 766 N HA -0.033 4.701 4.740 -0.009 0.000 0.183 766 N C 1.612 177.158 175.510 0.060 0.000 1.073 766 N CA 0.501 53.581 53.050 0.051 0.000 0.911 766 N CB 0.083 38.599 38.487 0.048 0.000 0.964 766 N HN 0.296 nan 8.380 nan 0.000 0.447 767 L N 0.915 122.182 121.223 0.073 0.000 2.081 767 L HA -0.204 4.131 4.340 -0.009 0.000 0.212 767 L C 2.373 179.279 176.870 0.060 0.000 1.080 767 L CA 1.300 56.191 54.840 0.085 0.000 0.754 767 L CB -0.692 41.430 42.059 0.106 0.000 0.893 767 L HN 0.222 nan 8.230 nan 0.000 0.433 768 S N -0.553 115.174 115.700 0.046 0.000 2.465 768 S HA -0.203 4.262 4.470 -0.009 0.000 0.241 768 S C 1.775 176.388 174.600 0.022 0.000 1.000 768 S CA 0.967 59.182 58.200 0.026 0.000 0.964 768 S CB -0.314 62.900 63.200 0.023 0.000 0.763 768 S HN 0.438 nan 8.310 nan 0.000 0.512 769 K N 0.735 121.155 120.400 0.033 0.000 2.366 769 K HA 0.177 4.492 4.320 -0.009 0.000 0.198 769 K C 1.355 177.977 176.600 0.035 0.000 1.044 769 K CA 0.420 56.726 56.287 0.031 0.000 0.973 769 K CB -0.477 32.044 32.500 0.035 0.000 0.767 769 K HN 0.569 nan 8.250 nan 0.000 0.475 770 G N 2.113 110.941 108.800 0.046 0.000 2.176 770 G HA2 -0.230 3.724 3.960 -0.009 0.000 0.252 770 G HA3 -0.230 3.724 3.960 -0.009 0.000 0.252 770 G C 0.038 174.991 174.900 0.089 0.000 1.024 770 G CA 0.310 45.447 45.100 0.061 0.000 0.755 770 G HN 0.208 nan 8.290 nan 0.000 0.507 771 L N -1.655 119.617 121.223 0.081 0.000 2.473 771 L HA 0.737 5.072 4.340 -0.009 0.000 0.268 771 L C 0.753 177.678 176.870 0.092 0.000 1.215 771 L CA -1.212 53.673 54.840 0.074 0.000 0.823 771 L CB 0.683 42.777 42.059 0.057 0.000 1.099 771 L HN 0.403 nan 8.230 nan 0.000 0.483 772 C N 3.917 123.258 119.300 0.067 0.000 2.322 772 C HA 0.698 5.153 4.460 -0.009 0.000 0.324 772 C C -0.221 174.783 174.990 0.022 0.000 1.249 772 C CA -0.567 58.481 59.018 0.050 0.000 1.453 772 C CB -0.784 26.982 27.740 0.043 0.000 2.145 772 C HN 0.756 nan 8.230 nan 0.000 0.466 773 I N 9.094 129.670 120.570 0.011 0.000 2.428 773 I HA 0.319 4.484 4.170 -0.009 0.000 0.279 773 I C -2.022 174.077 176.117 -0.031 0.000 1.040 773 I CA -1.563 59.736 61.300 -0.001 0.000 1.171 773 I CB 1.547 39.554 38.000 0.012 0.000 1.312 773 I HN 0.493 nan 8.210 nan 0.000 0.470 774 P HA 0.270 nan 4.420 nan 0.000 0.275 774 P C -0.180 177.057 177.300 -0.106 0.000 1.227 774 P CA 0.164 63.216 63.100 -0.079 0.000 0.781 774 P CB 1.890 33.547 31.700 -0.073 0.000 0.906 775 G N 1.816 110.526 108.800 -0.149 0.000 2.866 775 G HA2 0.688 4.643 3.960 -0.009 0.000 0.289 775 G HA3 0.688 4.643 3.960 -0.009 0.000 0.289 775 G C -1.543 173.163 174.900 -0.323 0.000 1.396 775 G CA -0.810 44.142 45.100 -0.247 0.000 0.848 775 G HN 0.425 nan 8.290 nan 0.000 0.515 776 I N 0.277 120.511 120.570 -0.560 0.000 2.465 776 I HA 0.390 4.555 4.170 -0.009 0.000 0.291 776 I C -0.570 175.364 176.117 -0.305 0.000 1.014 776 I CA -0.952 60.060 61.300 -0.480 0.000 1.093 776 I CB 2.356 39.941 38.000 -0.691 0.000 1.267 776 I HN 0.076 nan 8.210 nan 0.000 0.431 777 V N 7.046 126.891 119.914 -0.115 0.000 2.427 777 V HA 0.374 4.489 4.120 -0.009 0.000 0.286 777 V C 0.056 176.179 176.094 0.049 0.000 1.034 777 V CA -0.582 61.706 62.300 -0.020 0.000 0.893 777 V CB 1.769 33.578 31.823 -0.024 0.000 0.982 777 V HN 0.460 nan 8.190 nan 0.000 0.452 778 L N 5.905 127.186 121.223 0.098 0.000 2.264 778 L HA 0.493 4.828 4.340 -0.009 0.000 0.289 778 L C -0.680 176.222 176.870 0.054 0.000 1.044 778 L CA -0.399 54.511 54.840 0.117 0.000 0.807 778 L CB 1.176 43.327 42.059 0.154 0.000 1.192 778 L HN 0.419 nan 8.230 nan 0.000 0.425 779 I N 2.907 123.502 120.570 0.040 0.000 2.354 779 I HA 0.212 4.377 4.170 -0.009 0.000 0.286 779 I C 0.172 176.275 176.117 -0.024 0.000 1.007 779 I CA -0.217 61.082 61.300 -0.001 0.000 1.167 779 I CB 1.459 39.460 38.000 0.001 0.000 1.320 779 I HN 0.459 nan 8.210 nan 0.000 0.458 780 T N 5.828 120.321 114.554 -0.102 0.000 2.733 780 T HA 0.543 4.888 4.350 -0.009 0.000 0.294 780 T C 0.693 175.257 174.700 -0.227 0.000 0.956 780 T CA -0.385 61.599 62.100 -0.194 0.000 0.987 780 T CB 1.407 70.064 68.868 -0.352 0.000 0.920 780 T HN 0.817 nan 8.240 nan 0.000 0.470 781 G N 1.083 109.852 108.800 -0.052 0.000 2.702 781 G HA2 0.463 4.418 3.960 -0.009 0.000 0.254 781 G HA3 0.463 4.418 3.960 -0.009 0.000 0.254 781 G C 0.549 175.604 174.900 0.260 0.000 1.380 781 G CA -0.737 44.422 45.100 0.098 0.000 1.042 781 G HN 0.561 nan 8.290 nan 0.000 0.557 782 F N 1.006 121.045 119.950 0.148 0.000 2.065 782 F HA -0.125 4.397 4.527 -0.009 0.000 0.298 782 F C 1.534 177.407 175.800 0.122 0.000 1.112 782 F CA 2.433 60.513 58.000 0.132 0.000 1.212 782 F CB 0.281 39.318 39.000 0.062 0.000 0.975 782 F HN 0.379 nan 8.300 nan 0.000 0.476 783 D N -1.643 118.764 120.400 0.012 0.000 2.822 783 D HA 0.158 4.793 4.640 -0.009 0.000 0.327 783 D C -0.933 175.460 176.300 0.155 0.000 1.577 783 D CA -0.251 53.700 54.000 -0.081 0.000 0.785 783 D CB -0.602 40.102 40.800 -0.159 0.000 1.199 783 D HN 0.343 nan 8.370 nan 0.000 0.443 784 D N 0.380 120.873 120.400 0.156 0.000 2.736 784 D HA 0.345 4.980 4.640 -0.009 0.000 0.223 784 D C -1.127 175.255 176.300 0.137 0.000 1.231 784 D CA -0.448 53.678 54.000 0.211 0.000 0.818 784 D CB 2.385 43.285 40.800 0.168 0.000 1.587 784 D HN 0.001 nan 8.370 nan 0.000 0.463 785 I N 2.649 123.305 120.570 0.144 0.000 2.406 785 I HA 0.385 4.550 4.170 -0.009 0.000 0.290 785 I C 0.136 176.283 176.117 0.051 0.000 0.999 785 I CA -0.817 60.533 61.300 0.084 0.000 1.124 785 I CB 1.702 39.793 38.000 0.151 0.000 1.289 785 I HN 0.049 nan 8.210 nan 0.000 0.441 786 R N 5.716 126.254 120.500 0.063 0.000 2.393 786 R HA 0.589 4.924 4.340 -0.009 0.000 0.310 786 R C -1.199 175.151 176.300 0.083 0.000 0.968 786 R CA -1.088 55.052 56.100 0.067 0.000 0.867 786 R CB 1.894 32.216 30.300 0.036 0.000 1.124 786 R HN 0.382 nan 8.270 nan 0.000 0.450 787 L N 5.088 126.366 121.223 0.092 0.000 2.280 787 L HA 0.545 4.879 4.340 -0.009 0.000 0.287 787 L C 0.329 177.229 176.870 0.050 0.000 1.023 787 L CA -0.147 54.760 54.840 0.111 0.000 0.819 787 L CB 0.934 43.092 42.059 0.166 0.000 1.212 787 L HN 0.537 nan 8.230 nan 0.000 0.420 788 I N -1.514 119.066 120.570 0.017 0.000 3.042 788 I HA 0.717 4.882 4.170 -0.009 0.000 0.310 788 I C -0.641 175.442 176.117 -0.058 0.000 1.117 788 I CA -0.537 60.751 61.300 -0.019 0.000 1.003 788 I CB 2.669 40.657 38.000 -0.021 0.000 1.228 788 I HN 0.272 nan 8.210 nan 0.000 0.443 789 T N 4.674 119.181 114.554 -0.077 0.000 2.791 789 T HA 0.494 4.839 4.350 -0.009 0.000 0.288 789 T C -0.071 174.547 174.700 -0.136 0.000 0.999 789 T CA -0.445 61.586 62.100 -0.116 0.000 0.952 789 T CB 0.904 69.699 68.868 -0.122 0.000 0.938 789 T HN 0.373 nan 8.240 nan 0.000 0.444 790 L N 2.630 123.771 121.223 -0.138 0.000 2.525 790 L HA 0.275 4.610 4.340 -0.009 0.000 0.278 790 L C 1.602 178.224 176.870 -0.414 0.000 1.218 790 L CA 0.473 55.225 54.840 -0.146 0.000 0.878 790 L CB -0.029 42.020 42.059 -0.017 0.000 1.127 790 L HN 1.046 nan 8.230 nan 0.000 0.492 791 G N 2.127 110.668 108.800 -0.432 0.000 2.162 791 G HA2 -0.258 3.697 3.960 -0.009 0.000 0.260 791 G HA3 -0.258 3.697 3.960 -0.009 0.000 0.260 791 G C 0.164 174.851 174.900 -0.355 0.000 0.976 791 G CA 0.151 44.839 45.100 -0.686 0.000 0.655 791 G HN 0.600 nan 8.290 nan 0.000 0.533 792 K N -0.687 119.576 120.400 -0.229 0.000 2.443 792 K HA 0.603 4.918 4.320 -0.009 0.000 0.251 792 K C 1.294 177.835 176.600 -0.098 0.000 0.972 792 K CA -0.178 56.018 56.287 -0.151 0.000 0.833 792 K CB 1.710 34.123 32.500 -0.145 0.000 1.317 792 K HN 0.224 nan 8.250 nan 0.000 0.441 793 S N 0.430 116.086 115.700 -0.073 0.000 2.441 793 S HA -0.009 4.456 4.470 -0.009 0.000 0.224 793 S C 0.821 175.395 174.600 -0.043 0.000 1.043 793 S CA 0.281 58.450 58.200 -0.052 0.000 0.948 793 S CB 0.001 63.175 63.200 -0.043 0.000 0.810 793 S HN 0.504 nan 8.310 nan 0.000 0.504 794 K N 1.933 122.308 120.400 -0.043 0.000 2.440 794 K HA 0.281 4.596 4.320 -0.009 0.000 0.270 794 K C -0.110 176.475 176.600 -0.025 0.000 0.980 794 K CA 0.637 56.906 56.287 -0.030 0.000 0.953 794 K CB 0.280 32.763 32.500 -0.029 0.000 0.925 794 K HN 0.592 nan 8.250 nan 0.000 0.497 795 S N 0.688 116.383 115.700 -0.008 0.000 2.671 795 S HA 0.443 4.908 4.470 -0.009 0.000 0.270 795 S C -1.127 173.490 174.600 0.029 0.000 1.166 795 S CA -1.071 57.133 58.200 0.006 0.000 0.868 795 S CB 1.515 64.716 63.200 0.002 0.000 1.190 795 S HN 0.594 nan 8.310 nan 0.000 0.494 796 T N 0.480 115.063 114.554 0.048 0.000 2.754 796 T HA 0.907 5.252 4.350 -0.009 0.000 0.296 796 T C -1.450 173.308 174.700 0.097 0.000 1.205 796 T CA -0.420 61.714 62.100 0.057 0.000 1.009 796 T CB 1.319 70.198 68.868 0.018 0.000 1.368 796 T HN 1.404 nan 8.240 nan 0.000 0.509 797 H N -0.907 118.083 119.070 -0.133 0.000 3.024 797 H HA 0.782 5.333 4.556 -0.009 0.000 0.324 797 H C -1.688 173.427 175.328 -0.355 0.000 1.347 797 H CA -1.080 54.850 56.048 -0.196 0.000 1.182 797 H CB 1.423 31.112 29.762 -0.121 0.000 1.889 797 H HN 0.566 nan 8.280 nan 0.000 0.528 798 K N 1.994 122.054 120.400 -0.568 0.000 2.541 798 K HA 0.577 4.892 4.320 -0.009 0.000 0.250 798 K C -0.671 175.685 176.600 -0.407 0.000 0.950 798 K CA -0.126 55.680 56.287 -0.802 0.000 0.805 798 K CB 1.839 33.431 32.500 -1.513 0.000 1.166 798 K HN 0.997 nan 8.250 nan 0.000 0.430 799 G N 2.844 111.421 108.800 -0.372 0.000 2.412 799 G HA2 0.634 4.589 3.960 -0.009 0.000 0.318 799 G HA3 0.634 4.589 3.960 -0.009 0.000 0.318 799 G C -1.232 173.469 174.900 -0.332 0.000 1.146 799 G CA -0.432 44.596 45.100 -0.119 0.000 0.882 799 G HN 0.379 nan 8.290 nan 0.000 0.501 800 F N -0.725 119.198 119.950 -0.045 0.000 2.561 800 F HA 0.371 4.893 4.527 -0.008 0.000 0.321 800 F C 1.477 177.276 175.800 -0.003 0.000 1.065 800 F CA -1.135 56.859 58.000 -0.009 0.000 0.934 800 F CB 2.678 41.684 39.000 0.011 0.000 1.215 800 F HN 0.611 nan 8.300 nan 0.000 0.471 801 K N 0.003 120.516 120.400 0.188 0.000 2.057 801 K HA -0.034 4.281 4.320 -0.009 0.000 0.206 801 K C -0.363 176.242 176.600 0.007 0.000 1.050 801 K CA 1.295 57.633 56.287 0.086 0.000 0.935 801 K CB -0.215 32.355 32.500 0.117 0.000 0.715 801 K HN 0.396 nan 8.250 nan 0.000 0.439 802 Y N 1.248 121.578 120.300 0.050 0.000 2.496 802 Y HA 0.353 4.898 4.550 -0.009 0.000 0.331 802 Y C -2.291 173.530 175.900 -0.132 0.000 1.140 802 Y CA -3.114 54.973 58.100 -0.022 0.000 1.166 802 Y CB 0.998 39.457 38.460 -0.002 0.000 1.249 802 Y HN -0.150 nan 8.280 nan 0.000 0.479 803 P HA 0.061 nan 4.420 nan 0.000 0.268 803 P C -0.928 176.210 177.300 -0.269 0.000 1.208 803 P CA 0.046 62.833 63.100 -0.523 0.000 0.777 803 P CB 0.500 31.790 31.700 -0.684 0.000 0.875 804 L N 1.570 122.617 121.223 -0.293 0.000 2.326 804 L HA 0.377 4.712 4.340 -0.009 0.000 0.278 804 L C 1.330 178.152 176.870 -0.081 0.000 1.092 804 L CA -0.166 54.561 54.840 -0.188 0.000 0.810 804 L CB 1.003 42.942 42.059 -0.200 0.000 1.153 804 L HN 0.437 nan 8.230 nan 0.000 0.439 805 A N 3.077 125.853 122.820 -0.072 0.000 1.924 805 A HA 0.664 4.979 4.320 -0.009 0.000 0.211 805 A C 0.723 178.326 177.584 0.031 0.000 1.198 805 A CA 0.902 52.912 52.037 -0.044 0.000 0.657 805 A CB 0.177 19.141 19.000 -0.060 0.000 0.852 805 A HN 0.732 nan 8.150 nan 0.000 0.454 806 A N -1.411 121.411 122.820 0.003 0.000 2.605 806 A HA 0.635 4.950 4.320 -0.009 0.000 0.294 806 A C -0.437 177.119 177.584 -0.047 0.000 1.062 806 A CA 0.204 52.248 52.037 0.013 0.000 0.682 806 A CB 0.557 19.557 19.000 0.000 0.000 1.278 806 A HN 0.979 nan 8.150 nan 0.000 0.410 807 T N -1.451 113.076 114.554 -0.046 0.000 2.864 807 T HA 0.957 5.302 4.350 -0.009 0.000 0.299 807 T C -0.130 174.548 174.700 -0.036 0.000 1.166 807 T CA -0.295 61.770 62.100 -0.058 0.000 1.007 807 T CB 1.713 70.534 68.868 -0.078 0.000 1.219 807 T HN 2.436 nan 8.240 nan 0.000 0.506 808 G N 0.227 109.004 108.800 -0.039 0.000 2.519 808 G HA2 0.522 4.477 3.960 -0.009 0.000 0.292 808 G HA3 0.522 4.477 3.960 -0.009 0.000 0.292 808 G C -1.978 172.875 174.900 -0.078 0.000 1.507 808 G CA -1.055 44.025 45.100 -0.033 0.000 0.806 808 G HN 0.880 nan 8.290 nan 0.000 0.523 809 L N 0.852 122.024 121.223 -0.084 0.000 2.325 809 L HA 0.706 5.040 4.340 -0.009 0.000 0.279 809 L C 0.292 176.968 176.870 -0.324 0.000 1.054 809 L CA -0.642 54.056 54.840 -0.237 0.000 0.804 809 L CB 1.898 43.835 42.059 -0.204 0.000 1.200 809 L HN 0.456 nan 8.230 nan 0.000 0.436 810 S N 1.033 116.434 115.700 -0.499 0.000 2.526 810 S HA 0.612 5.077 4.470 -0.009 0.000 0.293 810 S C -1.348 172.874 174.600 -0.632 0.000 1.092 810 S CA -0.495 57.472 58.200 -0.388 0.000 0.980 810 S CB 1.314 64.419 63.200 -0.158 0.000 1.048 810 S HN 0.253 nan 8.310 nan 0.000 0.483 811 Y N 2.172 122.443 120.300 -0.047 0.000 2.345 811 Y HA 0.581 5.126 4.550 -0.009 0.000 0.331 811 Y C 0.028 175.915 175.900 -0.023 0.000 0.959 811 Y CA -0.691 57.386 58.100 -0.039 0.000 1.204 811 Y CB 0.385 38.811 38.460 -0.056 0.000 1.135 811 Y HN 0.430 nan 8.280 nan 0.000 0.477 812 I N 2.307 122.922 120.570 0.075 0.000 2.693 812 I HA 0.596 4.761 4.170 -0.009 0.000 0.303 812 I C -0.336 175.804 176.117 0.039 0.000 1.025 812 I CA -1.035 60.295 61.300 0.050 0.000 1.086 812 I CB 2.228 40.245 38.000 0.028 0.000 1.268 812 I HN 0.497 nan 8.210 nan 0.000 0.440 813 S N 2.084 117.797 115.700 0.021 0.000 2.473 813 S HA 0.675 5.140 4.470 -0.009 0.000 0.307 813 S C -0.539 174.051 174.600 -0.016 0.000 1.094 813 S CA -0.544 57.664 58.200 0.014 0.000 1.070 813 S CB 1.521 64.737 63.200 0.027 0.000 1.019 813 S HN 0.588 nan 8.310 nan 0.000 0.480 814 T N 3.099 117.640 114.554 -0.022 0.000 2.847 814 T HA 0.468 4.813 4.350 -0.009 0.000 0.291 814 T C -0.110 174.574 174.700 -0.026 0.000 0.998 814 T CA -0.503 61.572 62.100 -0.042 0.000 0.967 814 T CB 1.219 70.048 68.868 -0.066 0.000 0.954 814 T HN 0.600 nan 8.240 nan 0.000 0.441 815 V N 3.700 123.599 119.914 -0.024 0.000 2.953 815 V HA 0.441 4.556 4.120 -0.009 0.000 0.304 815 V C 1.065 177.147 176.094 -0.020 0.000 1.073 815 V CA -0.006 62.284 62.300 -0.015 0.000 1.064 815 V CB 1.304 33.120 31.823 -0.011 0.000 1.047 815 V HN 1.102 nan 8.190 nan 0.000 0.478 816 E N 0.927 121.119 120.200 -0.014 0.000 2.186 816 E HA 0.071 4.416 4.350 -0.009 0.000 0.244 816 E C 0.848 177.443 176.600 -0.009 0.000 1.089 816 E CA -0.544 55.847 56.400 -0.015 0.000 1.667 816 E CB 0.112 29.802 29.700 -0.017 0.000 3.574 816 E HN 0.470 nan 8.360 nan 0.000 1.014 817 K N 1.191 121.588 120.400 -0.005 0.000 2.174 817 K HA 0.161 4.476 4.320 -0.009 0.000 0.186 817 K C 1.348 177.947 176.600 -0.002 0.000 1.082 817 K CA 1.255 57.540 56.287 -0.002 0.000 1.067 817 K CB -0.115 32.385 32.500 0.000 0.000 1.449 817 K HN 0.029 nan 8.250 nan 0.000 0.474 818 N N -0.021 118.679 118.700 0.000 0.000 2.322 818 N HA -0.029 4.705 4.740 -0.009 0.000 0.181 818 N C 0.300 175.811 175.510 0.001 0.000 1.088 818 N CA 0.401 53.451 53.050 0.000 0.000 0.885 818 N CB 0.536 39.024 38.487 0.002 0.000 1.013 818 N HN 0.390 nan 8.380 nan 0.000 0.472 819 N N 0.622 119.323 118.700 0.002 0.000 3.045 819 N HA -0.104 4.631 4.740 -0.009 0.000 0.174 819 N C -1.561 173.952 175.510 0.005 0.000 1.214 819 N CA -0.009 53.042 53.050 0.003 0.000 2.333 819 N CB -0.308 38.181 38.487 0.005 0.000 1.173 819 N HN 0.006 nan 8.380 nan 0.000 0.737 820 D N 1.020 121.423 120.400 0.004 0.000 2.348 820 D HA 0.144 4.779 4.640 -0.009 0.000 0.253 820 D C -0.033 176.270 176.300 0.005 0.000 1.161 820 D CA 0.286 54.289 54.000 0.005 0.000 0.876 820 D CB 0.641 41.444 40.800 0.005 0.000 1.160 820 D HN -0.054 nan 8.370 nan 0.000 0.459 821 R N 3.935 124.440 120.500 0.010 0.000 2.230 821 R HA 0.221 4.555 4.340 -0.009 0.000 0.337 821 R C -0.351 175.957 176.300 0.014 0.000 1.063 821 R CA -0.349 55.758 56.100 0.012 0.000 0.935 821 R CB 0.651 30.961 30.300 0.017 0.000 1.121 821 R HN 0.458 nan 8.270 nan 0.000 0.486 822 K N 3.625 124.031 120.400 0.009 0.000 2.293 822 K HA 0.238 4.553 4.320 -0.009 0.000 0.267 822 K C -0.446 176.163 176.600 0.016 0.000 1.010 822 K CA -0.556 55.739 56.287 0.013 0.000 0.875 822 K CB 0.866 33.370 32.500 0.007 0.000 1.106 822 K HN 0.411 nan 8.250 nan 0.000 0.450 823 N N 3.087 121.806 118.700 0.030 0.000 2.483 823 N HA 0.253 4.988 4.740 -0.009 0.000 0.269 823 N C -0.842 174.691 175.510 0.040 0.000 1.209 823 N CA -0.342 52.734 53.050 0.044 0.000 0.969 823 N CB 1.068 39.596 38.487 0.069 0.000 1.173 823 N HN 0.344 nan 8.380 nan 0.000 0.475 824 L N 0.279 121.527 121.223 0.042 0.000 2.464 824 L HA 0.347 4.682 4.340 -0.009 0.000 0.266 824 L C -0.934 175.927 176.870 -0.015 0.000 0.965 824 L CA -0.262 54.590 54.840 0.022 0.000 0.833 824 L CB 2.035 44.113 42.059 0.032 0.000 1.296 824 L HN 0.405 nan 8.230 nan 0.000 0.405 825 T N 4.795 119.298 114.554 -0.084 0.000 2.756 825 T HA 0.664 5.009 4.350 -0.009 0.000 0.290 825 T C -0.351 174.158 174.700 -0.317 0.000 0.985 825 T CA -0.318 61.624 62.100 -0.264 0.000 0.955 825 T CB 0.889 69.601 68.868 -0.260 0.000 0.930 825 T HN 0.568 nan 8.240 nan 0.000 0.451 826 V N 1.934 121.645 119.914 -0.338 0.000 3.046 826 V HA 0.760 4.875 4.120 -0.009 0.000 0.316 826 V C -0.405 175.472 176.094 -0.361 0.000 1.104 826 V CA -1.282 60.829 62.300 -0.315 0.000 1.006 826 V CB 2.026 33.699 31.823 -0.251 0.000 1.058 826 V HN 0.861 nan 8.190 nan 0.000 0.440 827 I N 1.943 122.322 120.570 -0.318 0.000 2.474 827 I HA 0.608 4.773 4.170 -0.009 0.000 0.294 827 I C -1.044 174.997 176.117 -0.126 0.000 1.005 827 I CA -1.016 60.140 61.300 -0.239 0.000 1.113 827 I CB 1.435 39.272 38.000 -0.270 0.000 1.289 827 I HN 0.668 nan 8.210 nan 0.000 0.436 828 I N 6.225 126.736 120.570 -0.098 0.000 2.441 828 I HA 0.396 4.561 4.170 -0.009 0.000 0.295 828 I C -0.210 175.898 176.117 -0.015 0.000 0.994 828 I CA -0.466 60.789 61.300 -0.076 0.000 1.144 828 I CB 2.155 40.089 38.000 -0.110 0.000 1.314 828 I HN 0.552 nan 8.210 nan 0.000 0.445 829 T N 3.888 118.460 114.554 0.029 0.000 2.893 829 T HA 0.718 5.063 4.350 -0.009 0.000 0.291 829 T C -1.001 173.657 174.700 -0.070 0.000 1.028 829 T CA -0.766 61.327 62.100 -0.011 0.000 0.995 829 T CB 2.177 71.069 68.868 0.040 0.000 1.051 829 T HN 0.338 nan 8.240 nan 0.000 0.470 830 L N 1.654 122.804 121.223 -0.121 0.000 2.376 830 L HA 0.595 4.930 4.340 -0.009 0.000 0.275 830 L C -0.490 176.297 176.870 -0.138 0.000 0.987 830 L CA -0.407 54.350 54.840 -0.138 0.000 0.828 830 L CB 1.741 43.721 42.059 -0.133 0.000 1.249 830 L HN 0.856 nan 8.230 nan 0.000 0.409 831 E N 4.228 124.358 120.200 -0.118 0.000 2.283 831 E HA 0.251 4.596 4.350 -0.009 0.000 0.271 831 E C 1.277 177.823 176.600 -0.090 0.000 1.031 831 E CA -0.164 56.182 56.400 -0.089 0.000 0.868 831 E CB 1.738 31.437 29.700 -0.002 0.000 1.094 831 E HN 0.766 nan 8.360 nan 0.000 0.401 832 I N -0.034 120.503 120.570 -0.056 0.000 2.657 832 I HA -0.238 3.927 4.170 -0.009 0.000 0.261 832 I C 1.331 177.436 176.117 -0.019 0.000 1.212 832 I CA 1.124 62.403 61.300 -0.034 0.000 1.453 832 I CB -0.447 37.545 38.000 -0.013 0.000 1.092 832 I HN 0.357 nan 8.210 nan 0.000 0.452 833 N N 1.602 120.272 118.700 -0.051 0.000 2.336 833 N HA 0.091 4.826 4.740 -0.009 0.000 0.189 833 N C 1.392 176.868 175.510 -0.058 0.000 1.113 833 N CA 0.883 53.903 53.050 -0.049 0.000 0.858 833 N CB 0.519 38.871 38.487 -0.224 0.000 0.970 833 N HN 0.548 nan 8.380 nan 0.000 0.471 834 G N -0.479 108.182 108.800 -0.232 0.000 2.184 834 G HA2 -0.254 3.701 3.960 -0.009 0.000 0.206 834 G HA3 -0.254 3.701 3.960 -0.009 0.000 0.206 834 G C -0.426 173.872 174.900 -1.002 0.000 0.995 834 G CA -0.005 44.788 45.100 -0.511 0.000 0.651 834 G HN 0.684 nan 8.290 nan 0.000 0.511 835 H N 0.230 118.810 119.070 -0.817 0.000 2.646 835 H HA 0.686 5.237 4.556 -0.009 0.000 0.325 835 H C 0.162 175.290 175.328 -0.334 0.000 1.075 835 H CA 0.037 55.742 56.048 -0.572 0.000 1.421 835 H CB 0.833 30.458 29.762 -0.228 0.000 1.461 835 H HN 0.368 nan 8.280 nan 0.000 0.525 836 L N 5.728 126.548 121.223 -0.672 0.000 2.346 836 L HA 0.612 4.947 4.340 -0.009 0.000 0.276 836 L C -0.916 175.758 176.870 -0.326 0.000 1.006 836 L CA -0.710 53.888 54.840 -0.403 0.000 0.817 836 L CB 0.871 42.672 42.059 -0.429 0.000 1.272 836 L HN 0.767 nan 8.230 nan 0.000 0.421 837 R N 3.265 123.667 120.500 -0.163 0.000 2.771 837 R HA 0.754 5.088 4.340 -0.009 0.000 0.274 837 R C -1.733 174.364 176.300 -0.339 0.000 0.987 837 R CA -0.885 55.072 56.100 -0.238 0.000 0.908 837 R CB 2.593 32.848 30.300 -0.075 0.000 1.213 837 R HN 0.344 nan 8.270 nan 0.000 0.468 838 V N 2.625 122.158 119.914 -0.636 0.000 2.588 838 V HA 0.583 4.698 4.120 -0.009 0.000 0.304 838 V C -1.207 174.399 176.094 -0.814 0.000 1.042 838 V CA -0.671 61.250 62.300 -0.631 0.000 0.877 838 V CB 1.408 32.738 31.823 -0.821 0.000 0.996 838 V HN 0.528 nan 8.190 nan 0.000 0.425 839 F N 1.181 120.921 119.950 -0.350 0.000 2.588 839 F HA 0.695 5.217 4.527 -0.009 0.000 0.314 839 F C 0.629 176.180 175.800 -0.415 0.000 1.069 839 F CA -0.799 56.992 58.000 -0.349 0.000 0.931 839 F CB 2.170 40.921 39.000 -0.415 0.000 1.260 839 F HN 0.515 nan 8.300 nan 0.000 0.465 840 T N 0.535 115.016 114.554 -0.123 0.000 2.918 840 T HA 0.811 5.156 4.350 -0.009 0.000 0.283 840 T C -0.380 174.162 174.700 -0.264 0.000 1.001 840 T CA -0.624 61.372 62.100 -0.173 0.000 1.041 840 T CB 1.336 70.159 68.868 -0.076 0.000 1.028 840 T HN 0.630 nan 8.240 nan 0.000 0.511 841 I N -1.277 119.108 120.570 -0.309 0.000 2.892 841 I HA 0.575 4.740 4.170 -0.009 0.000 0.306 841 I C -2.373 173.658 176.117 -0.143 0.000 1.078 841 I CA -3.283 57.828 61.300 -0.316 0.000 1.032 841 I CB 2.670 40.329 38.000 -0.569 0.000 1.229 841 I HN 0.343 nan 8.210 nan 0.000 0.435 842 P HA 0.029 nan 4.420 nan 0.000 0.255 842 P C 0.262 177.650 177.300 0.147 0.000 1.248 842 P CA 0.400 63.585 63.100 0.142 0.000 0.807 842 P CB 0.066 31.933 31.700 0.279 0.000 1.150 843 D N -0.641 119.808 120.400 0.080 0.000 2.264 843 D HA -0.167 4.468 4.640 -0.009 0.000 0.208 843 D C 0.555 176.964 176.300 0.182 0.000 0.966 843 D CA 0.001 54.062 54.000 0.103 0.000 0.864 843 D CB -0.884 39.952 40.800 0.061 0.000 0.933 843 D HN 0.084 nan 8.370 nan 0.000 0.499 844 F N 0.691 120.626 119.950 -0.024 0.000 3.071 844 F HA -0.221 4.300 4.527 -0.009 0.000 0.295 844 F C 0.352 176.217 175.800 0.109 0.000 0.919 844 F CA 0.295 58.268 58.000 -0.045 0.000 1.050 844 F CB -1.405 37.459 39.000 -0.227 0.000 1.040 844 F HN -0.057 nan 8.300 nan 0.000 0.692 845 K N 1.929 122.453 120.400 0.207 0.000 2.316 845 K HA 0.189 4.504 4.320 -0.009 0.000 0.289 845 K C 0.416 177.136 176.600 0.200 0.000 1.070 845 K CA -0.447 55.953 56.287 0.188 0.000 0.928 845 K CB 0.646 33.195 32.500 0.081 0.000 1.039 845 K HN 0.368 nan 8.250 nan 0.000 0.480 846 E N 3.217 123.545 120.200 0.212 0.000 2.415 846 E HA -0.093 4.251 4.350 -0.009 0.000 0.263 846 E C 0.095 176.571 176.600 -0.207 0.000 0.995 846 E CA 0.150 56.432 56.400 -0.197 0.000 0.915 846 E CB 0.709 30.300 29.700 -0.181 0.000 0.951 846 E HN 0.570 nan 8.360 nan 0.000 0.449 847 Q N 3.612 123.202 119.800 -0.351 0.000 2.316 847 Q HA 0.235 4.570 4.340 -0.009 0.000 0.235 847 Q C 0.193 176.069 176.000 -0.207 0.000 0.863 847 Q CA 0.358 56.030 55.803 -0.218 0.000 0.939 847 Q CB 0.952 29.530 28.738 -0.266 0.000 1.108 847 Q HN 0.607 nan 8.270 nan 0.000 0.522 848 M N -0.037 119.357 119.600 -0.343 0.000 2.414 848 M HA 0.361 4.836 4.480 -0.009 0.000 0.287 848 M C -1.809 174.330 176.300 -0.269 0.000 1.181 848 M CA -0.224 54.930 55.300 -0.243 0.000 0.933 848 M CB 2.535 34.991 32.600 -0.239 0.000 1.732 848 M HN -0.116 nan 8.290 nan 0.000 0.486 849 S N 3.641 119.247 115.700 -0.158 0.000 2.737 849 S HA 0.594 5.059 4.470 -0.009 0.000 0.269 849 S C -1.759 172.769 174.600 -0.120 0.000 1.150 849 S CA -0.389 57.755 58.200 -0.094 0.000 1.077 849 S CB 1.024 64.264 63.200 0.066 0.000 1.075 849 S HN 0.811 nan 8.310 nan 0.000 0.476 850 E N 2.154 122.136 120.200 -0.363 0.000 2.390 850 E HA 0.261 4.606 4.350 -0.009 0.000 0.277 850 E C -1.622 174.625 176.600 -0.589 0.000 0.939 850 E CA -0.903 55.303 56.400 -0.323 0.000 0.769 850 E CB 1.782 31.363 29.700 -0.199 0.000 1.251 850 E HN 0.716 nan 8.360 nan 0.000 0.450 851 H N 1.174 120.010 119.070 -0.390 0.000 2.472 851 H HA 0.275 4.826 4.556 -0.009 0.000 0.335 851 H C -0.021 175.103 175.328 -0.340 0.000 1.136 851 H CA -0.664 55.180 56.048 -0.341 0.000 1.264 851 H CB 0.684 30.384 29.762 -0.105 0.000 1.486 851 H HN 0.245 nan 8.280 nan 0.000 0.517 852 I N 6.268 126.548 120.570 -0.484 0.000 2.710 852 I HA -0.046 4.119 4.170 -0.009 0.000 0.286 852 I C -1.320 174.607 176.117 -0.317 0.000 1.181 852 I CA -1.698 59.279 61.300 -0.539 0.000 1.430 852 I CB 0.578 38.177 38.000 -0.669 0.000 1.367 852 I HN 0.718 nan 8.210 nan 0.000 0.577 853 P HA -0.132 nan 4.420 nan 0.000 0.222 853 P C -0.604 176.628 177.300 -0.113 0.000 1.142 853 P CA 1.386 64.356 63.100 -0.216 0.000 0.788 853 P CB 0.067 31.708 31.700 -0.099 0.000 0.767 854 F N -5.220 114.804 119.950 0.125 0.000 2.664 854 F HA 0.711 5.233 4.527 -0.008 0.000 0.317 854 F C -3.025 172.838 175.800 0.105 0.000 1.108 854 F CA -4.073 53.989 58.000 0.103 0.000 0.957 854 F CB -0.788 38.271 39.000 0.099 0.000 1.365 854 F HN -0.468 nan 8.300 nan 0.000 0.475 855 P HA 0.314 nan 4.420 nan 0.000 0.265 855 P C -0.813 176.671 177.300 0.306 0.000 1.187 855 P CA 0.346 63.598 63.100 0.253 0.000 0.766 855 P CB 0.498 32.307 31.700 0.181 0.000 0.820 856 I N 0.967 121.666 120.570 0.214 0.000 2.647 856 I HA 0.488 4.653 4.170 -0.009 0.000 0.295 856 I C -0.129 176.075 176.117 0.146 0.000 1.078 856 I CA -1.314 60.105 61.300 0.197 0.000 1.048 856 I CB 2.261 40.347 38.000 0.143 0.000 1.239 856 I HN 0.261 nan 8.210 nan 0.000 0.421 857 A N 3.665 126.579 122.820 0.157 0.000 2.354 857 A HA 0.590 4.905 4.320 -0.009 0.000 0.281 857 A C 1.129 178.768 177.584 0.091 0.000 1.174 857 A CA 0.126 52.246 52.037 0.138 0.000 0.828 857 A CB 0.808 19.935 19.000 0.211 0.000 1.099 857 A HN 0.983 nan 8.150 nan 0.000 0.516 858 A N 3.006 125.853 122.820 0.044 0.000 1.948 858 A HA -0.194 4.121 4.320 -0.009 0.000 0.220 858 A C 2.041 179.589 177.584 -0.059 0.000 1.177 858 A CA 2.342 54.382 52.037 0.005 0.000 0.636 858 A CB -0.395 18.611 19.000 0.011 0.000 0.815 858 A HN 0.893 nan 8.150 nan 0.000 0.449 859 K N -1.137 119.184 120.400 -0.132 0.000 2.032 859 K HA -0.181 4.134 4.320 -0.009 0.000 0.209 859 K C 1.411 177.729 176.600 -0.469 0.000 1.048 859 K CA 2.136 58.207 56.287 -0.360 0.000 0.927 859 K CB -0.485 31.673 32.500 -0.570 0.000 0.712 859 K HN 0.552 nan 8.250 nan 0.000 0.441 860 Y N -0.948 119.348 120.300 -0.006 0.000 2.497 860 Y HA 0.170 4.714 4.550 -0.009 0.000 0.265 860 Y C 1.652 177.553 175.900 0.001 0.000 1.111 860 Y CA -0.091 58.007 58.100 -0.003 0.000 1.288 860 Y CB -0.144 38.317 38.460 0.001 0.000 1.082 860 Y HN 0.024 nan 8.280 nan 0.000 0.536 861 I N 0.916 121.550 120.570 0.107 0.000 2.315 861 I HA -0.296 3.868 4.170 -0.009 0.000 0.251 861 I C 2.271 178.402 176.117 0.023 0.000 1.125 861 I CA 2.217 63.553 61.300 0.060 0.000 1.392 861 I CB -0.702 37.312 38.000 0.023 0.000 1.065 861 I HN 0.313 nan 8.210 nan 0.000 0.424 862 T N -3.325 111.228 114.554 -0.001 0.000 3.163 862 T HA -0.034 4.311 4.350 -0.009 0.000 0.260 862 T C 1.511 176.216 174.700 0.009 0.000 1.156 862 T CA 0.969 63.059 62.100 -0.018 0.000 1.072 862 T CB -0.518 68.312 68.868 -0.064 0.000 0.937 862 T HN 0.506 nan 8.240 nan 0.000 0.528 863 E N 1.065 121.285 120.200 0.032 0.000 2.442 863 E HA 0.154 4.499 4.350 -0.009 0.000 0.195 863 E C 0.417 177.020 176.600 0.006 0.000 1.030 863 E CA -0.296 56.121 56.400 0.029 0.000 0.869 863 E CB 0.226 29.965 29.700 0.065 0.000 0.857 863 E HN 0.397 nan 8.360 nan 0.000 0.505 864 S N 1.011 116.718 115.700 0.013 0.000 2.554 864 S HA 0.030 4.495 4.470 -0.009 0.000 0.290 864 S C -0.095 174.499 174.600 -0.011 0.000 1.309 864 S CA 0.125 58.324 58.200 -0.001 0.000 1.047 864 S CB 0.679 63.882 63.200 0.004 0.000 0.828 864 S HN 0.018 nan 8.310 nan 0.000 0.509 865 S N 1.609 117.298 115.700 -0.018 0.000 2.647 865 S HA 0.364 4.829 4.470 -0.009 0.000 0.300 865 S C -0.499 174.108 174.600 0.010 0.000 1.129 865 S CA -0.801 57.393 58.200 -0.010 0.000 1.029 865 S CB 1.431 64.612 63.200 -0.032 0.000 1.007 865 S HN 0.447 nan 8.310 nan 0.000 0.484 866 V N 4.494 124.412 119.914 0.008 0.000 2.614 866 V HA 0.316 4.431 4.120 -0.009 0.000 0.291 866 V C 0.049 176.156 176.094 0.023 0.000 1.049 866 V CA -0.188 62.117 62.300 0.008 0.000 1.038 866 V CB 0.594 32.407 31.823 -0.017 0.000 0.980 866 V HN 0.718 nan 8.190 nan 0.000 0.481 867 L N 4.363 125.606 121.223 0.034 0.000 2.332 867 L HA 0.549 4.884 4.340 -0.009 0.000 0.269 867 L C 1.591 178.477 176.870 0.026 0.000 1.016 867 L CA -0.747 54.118 54.840 0.042 0.000 0.809 867 L CB 1.109 43.209 42.059 0.070 0.000 1.280 867 L HN 0.564 nan 8.230 nan 0.000 0.447 868 R N 1.288 121.794 120.500 0.011 0.000 2.170 868 R HA -0.162 4.172 4.340 -0.009 0.000 0.242 868 R C 1.044 177.353 176.300 0.015 0.000 1.145 868 R CA 1.842 57.941 56.100 -0.000 0.000 0.984 868 R CB -0.051 30.136 30.300 -0.189 0.000 0.869 868 R HN 0.804 nan 8.270 nan 0.000 0.455 869 N N -1.277 117.435 118.700 0.021 0.000 2.251 869 N HA 0.066 4.801 4.740 -0.009 0.000 0.217 869 N C 0.757 176.299 175.510 0.053 0.000 1.124 869 N CA 0.756 53.830 53.050 0.040 0.000 0.843 869 N CB 1.087 39.605 38.487 0.052 0.000 1.024 869 N HN 0.312 nan 8.380 nan 0.000 0.501 870 G N -0.048 108.779 108.800 0.045 0.000 2.213 870 G HA2 -0.238 3.717 3.960 -0.009 0.000 0.236 870 G HA3 -0.238 3.717 3.960 -0.009 0.000 0.236 870 G C -0.508 174.433 174.900 0.068 0.000 0.991 870 G CA 0.068 45.206 45.100 0.063 0.000 0.629 870 G HN 0.446 nan 8.290 nan 0.000 0.517 871 D N -0.026 120.420 120.400 0.076 0.000 2.358 871 D HA 0.635 5.270 4.640 -0.009 0.000 0.244 871 D C 0.404 176.764 176.300 0.101 0.000 1.163 871 D CA 0.208 54.272 54.000 0.106 0.000 0.945 871 D CB 1.710 42.580 40.800 0.117 0.000 1.152 871 D HN 0.481 nan 8.370 nan 0.000 0.451 872 I N -0.270 120.387 120.570 0.145 0.000 2.571 872 I HA 0.486 4.651 4.170 -0.009 0.000 0.289 872 I C -1.483 174.754 176.117 0.199 0.000 1.115 872 I CA -0.745 60.629 61.300 0.123 0.000 1.045 872 I CB 1.497 39.530 38.000 0.056 0.000 1.238 872 I HN 0.364 nan 8.210 nan 0.000 0.424 873 A N 8.583 131.491 122.820 0.146 0.000 2.269 873 A HA 0.726 5.041 4.320 -0.009 0.000 0.302 873 A C -0.753 176.884 177.584 0.089 0.000 1.266 873 A CA -0.342 51.783 52.037 0.147 0.000 0.894 873 A CB 0.162 19.152 19.000 -0.017 0.000 1.147 873 A HN 0.655 nan 8.150 nan 0.000 0.537 874 I N 2.337 123.017 120.570 0.183 0.000 2.406 874 I HA 0.369 4.534 4.170 -0.009 0.000 0.290 874 I C 0.429 176.630 176.117 0.141 0.000 0.999 874 I CA -0.510 60.880 61.300 0.151 0.000 1.124 874 I CB 1.863 39.981 38.000 0.197 0.000 1.289 874 I HN 0.701 nan 8.210 nan 0.000 0.441 875 R N 4.772 125.329 120.500 0.095 0.000 2.216 875 R HA 0.334 4.669 4.340 -0.009 0.000 0.332 875 R C 0.321 176.697 176.300 0.126 0.000 1.056 875 R CA -0.182 55.967 56.100 0.081 0.000 0.901 875 R CB 1.110 31.477 30.300 0.112 0.000 1.039 875 R HN 0.604 nan 8.270 nan 0.000 0.456 876 V N 2.554 122.537 119.914 0.115 0.000 2.535 876 V HA -0.055 4.060 4.120 -0.009 0.000 0.246 876 V C 0.710 176.880 176.094 0.127 0.000 1.045 876 V CA 1.673 64.079 62.300 0.175 0.000 1.058 876 V CB 0.108 32.064 31.823 0.221 0.000 0.689 876 V HN 0.937 nan 8.190 nan 0.000 0.461 877 S N -1.780 113.923 115.700 0.005 0.000 2.843 877 S HA 0.307 4.772 4.470 -0.009 0.000 0.301 877 S C 0.654 174.952 174.600 -0.503 0.000 1.206 877 S CA 0.057 58.222 58.200 -0.059 0.000 0.875 877 S CB 1.753 64.957 63.200 0.006 0.000 1.248 877 S HN 0.133 nan 8.310 nan 0.000 0.555 878 E N -0.182 119.574 120.200 -0.739 0.000 2.150 878 E HA -0.028 4.317 4.350 -0.009 0.000 0.193 878 E C 0.426 176.518 176.600 -0.846 0.000 0.985 878 E CA 1.492 57.190 56.400 -1.169 0.000 0.814 878 E CB -0.230 28.789 29.700 -1.136 0.000 0.752 878 E HN 0.645 nan 8.360 nan 0.000 0.466 879 F N -0.349 119.519 119.950 -0.137 0.000 2.706 879 F HA 0.344 4.865 4.527 -0.009 0.000 0.313 879 F C 0.530 176.205 175.800 -0.208 0.000 1.096 879 F CA -0.567 57.395 58.000 -0.064 0.000 1.219 879 F CB 0.296 39.273 39.000 -0.038 0.000 1.051 879 F HN -0.128 nan 8.300 nan 0.000 0.568 880 Q N 1.567 121.288 119.800 -0.131 0.000 2.372 880 Q HA 0.815 5.150 4.340 -0.009 0.000 0.273 880 Q C -1.621 174.187 176.000 -0.320 0.000 1.078 880 Q CA -0.891 54.761 55.803 -0.252 0.000 0.806 880 Q CB 2.669 31.343 28.738 -0.106 0.000 1.332 880 Q HN 0.183 nan 8.270 nan 0.000 0.435 881 A N 1.999 124.612 122.820 -0.345 0.000 2.498 881 A HA 0.860 5.175 4.320 -0.009 0.000 0.298 881 A C -1.321 176.387 177.584 0.207 0.000 1.075 881 A CA -0.543 51.426 52.037 -0.114 0.000 0.714 881 A CB 2.403 21.220 19.000 -0.304 0.000 1.299 881 A HN 0.619 nan 8.150 nan 0.000 0.407 882 S N -0.127 115.761 115.700 0.312 0.000 2.541 882 S HA 0.624 5.089 4.470 -0.009 0.000 0.280 882 S C -1.441 173.367 174.600 0.346 0.000 1.112 882 S CA -0.428 57.954 58.200 0.302 0.000 0.925 882 S CB 1.559 64.895 63.200 0.227 0.000 1.067 882 S HN 0.915 nan 8.310 nan 0.000 0.479 883 L N 3.136 124.518 121.223 0.266 0.000 2.287 883 L HA 0.713 5.048 4.340 -0.009 0.000 0.287 883 L C -1.767 175.108 176.870 0.008 0.000 1.022 883 L CA -0.092 54.911 54.840 0.273 0.000 0.814 883 L CB 0.060 42.322 42.059 0.339 0.000 1.217 883 L HN 0.561 nan 8.230 nan 0.000 0.420 884 F N 2.303 122.330 119.950 0.128 0.000 2.538 884 F HA 0.680 5.202 4.527 -0.009 0.000 0.325 884 F C 0.350 176.182 175.800 0.054 0.000 1.066 884 F CA -0.397 57.645 58.000 0.070 0.000 0.946 884 F CB 2.314 41.328 39.000 0.024 0.000 1.199 884 F HN 0.541 nan 8.300 nan 0.000 0.473 885 S N -1.244 114.599 115.700 0.238 0.000 2.537 885 S HA 0.500 4.965 4.470 -0.009 0.000 0.301 885 S C 0.181 174.868 174.600 0.145 0.000 1.092 885 S CA -0.053 58.238 58.200 0.152 0.000 1.048 885 S CB 1.569 64.828 63.200 0.098 0.000 1.053 885 S HN 0.760 nan 8.310 nan 0.000 0.501 886 T N -1.771 112.861 114.554 0.129 0.000 2.985 886 T HA 0.218 4.562 4.350 -0.009 0.000 0.254 886 T C 0.213 175.057 174.700 0.239 0.000 1.021 886 T CA -0.031 62.159 62.100 0.150 0.000 0.957 886 T CB -0.187 68.743 68.868 0.104 0.000 1.047 886 T HN 0.450 nan 8.240 nan 0.000 0.511 887 V N 3.252 123.258 119.914 0.152 0.000 2.368 887 V HA 0.307 4.422 4.120 -0.009 0.000 0.266 887 V C 1.647 177.735 176.094 -0.010 0.000 1.045 887 V CA -0.697 61.619 62.300 0.027 0.000 0.899 887 V CB 0.993 32.809 31.823 -0.013 0.000 1.006 887 V HN 0.407 nan 8.190 nan 0.000 0.470 888 K N 3.412 123.785 120.400 -0.045 0.000 1.977 888 K HA -0.151 4.164 4.320 -0.009 0.000 0.218 888 K C 1.042 177.620 176.600 -0.037 0.000 1.051 888 K CA 1.310 57.578 56.287 -0.031 0.000 0.953 888 K CB 0.099 32.572 32.500 -0.045 0.000 0.727 888 K HN 0.588 nan 8.250 nan 0.000 0.445 889 E N 1.985 122.146 120.200 -0.065 0.000 2.415 889 E HA -0.011 4.333 4.350 -0.009 0.000 0.260 889 E C -1.045 175.536 176.600 -0.032 0.000 1.016 889 E CA 0.684 57.055 56.400 -0.048 0.000 0.924 889 E CB 0.950 30.613 29.700 -0.061 0.000 0.961 889 E HN 0.318 nan 8.360 nan 0.000 0.459 890 Q N 2.501 122.292 119.800 -0.016 0.000 2.435 890 Q HA 0.190 4.524 4.340 -0.009 0.000 0.282 890 Q C -1.353 174.646 176.000 -0.002 0.000 1.020 890 Q CA -0.668 55.132 55.803 -0.005 0.000 0.820 890 Q CB 1.428 30.168 28.738 0.004 0.000 1.436 890 Q HN 0.324 nan 8.270 nan 0.000 0.395 891 D N 2.686 123.088 120.400 0.004 0.000 2.551 891 D HA 0.079 4.714 4.640 -0.009 0.000 0.223 891 D C -0.595 175.707 176.300 0.004 0.000 1.144 891 D CA 0.371 54.374 54.000 0.005 0.000 1.025 891 D CB 0.325 41.131 40.800 0.010 0.000 1.085 891 D HN 0.449 nan 8.370 nan 0.000 0.506 892 T N -0.385 114.170 114.554 0.000 0.000 2.767 892 T HA 0.532 4.877 4.350 -0.009 0.000 0.284 892 T C 0.273 174.971 174.700 -0.004 0.000 0.973 892 T CA -0.825 61.273 62.100 -0.002 0.000 0.996 892 T CB 1.428 70.293 68.868 -0.004 0.000 0.927 892 T HN 0.070 nan 8.240 nan 0.000 0.456 893 L N 2.897 124.118 121.223 -0.004 0.000 2.309 893 L HA 0.638 4.973 4.340 -0.009 0.000 0.282 893 L C 1.029 177.894 176.870 -0.009 0.000 1.036 893 L CA -1.363 53.474 54.840 -0.005 0.000 0.806 893 L CB 1.165 43.223 42.059 -0.002 0.000 1.220 893 L HN 0.931 nan 8.230 nan 0.000 0.429 894 A N 4.259 127.073 122.820 -0.011 0.000 2.587 894 A HA 0.219 4.534 4.320 -0.009 0.000 0.235 894 A C -2.087 175.487 177.584 -0.018 0.000 1.044 894 A CA -0.634 51.394 52.037 -0.015 0.000 0.754 894 A CB -0.923 18.067 19.000 -0.016 0.000 0.968 894 A HN 0.510 nan 8.150 nan 0.000 0.509 895 P HA 0.271 nan 4.420 nan 0.000 0.265 895 P C -0.691 176.590 177.300 -0.031 0.000 1.187 895 P CA 0.066 63.150 63.100 -0.026 0.000 0.766 895 P CB 0.496 32.175 31.700 -0.034 0.000 0.820 896 V N 1.428 121.323 119.914 -0.032 0.000 2.962 896 V HA 0.571 4.685 4.120 -0.009 0.000 0.313 896 V C -0.019 176.042 176.094 -0.055 0.000 1.099 896 V CA -0.602 61.674 62.300 -0.041 0.000 0.971 896 V CB 2.270 34.073 31.823 -0.033 0.000 1.028 896 V HN 0.683 nan 8.190 nan 0.000 0.430 897 S N 0.649 116.308 115.700 -0.069 0.000 2.621 897 S HA 0.632 5.097 4.470 -0.009 0.000 0.302 897 S C -0.896 173.653 174.600 -0.086 0.000 1.093 897 S CA -0.897 57.252 58.200 -0.085 0.000 1.017 897 S CB 1.852 64.994 63.200 -0.096 0.000 1.077 897 S HN 0.635 nan 8.310 nan 0.000 0.517 898 D N 1.452 121.794 120.400 -0.096 0.000 2.383 898 D HA 0.353 4.988 4.640 -0.009 0.000 0.248 898 D C -0.191 176.057 176.300 -0.086 0.000 1.170 898 D CA 0.131 54.076 54.000 -0.092 0.000 0.977 898 D CB 0.931 41.669 40.800 -0.103 0.000 1.120 898 D HN 0.586 nan 8.370 nan 0.000 0.481 899 T N 1.114 115.622 114.554 -0.077 0.000 2.799 899 T HA 0.301 4.646 4.350 -0.009 0.000 0.286 899 T C 1.383 176.051 174.700 -0.053 0.000 0.973 899 T CA -0.450 61.611 62.100 -0.064 0.000 1.035 899 T CB 0.947 69.782 68.868 -0.055 0.000 0.932 899 T HN 0.157 nan 8.240 nan 0.000 0.469 900 L N 1.374 122.582 121.223 -0.025 0.000 2.356 900 L HA 0.329 4.663 4.340 -0.009 0.000 0.193 900 L C 0.550 177.431 176.870 0.019 0.000 1.087 900 L CA -0.012 54.826 54.840 -0.005 0.000 0.817 900 L CB -0.144 41.930 42.059 0.024 0.000 1.035 900 L HN 0.556 nan 8.230 nan 0.000 0.482 901 Y N 2.305 122.584 120.300 -0.034 0.000 2.496 901 Y HA 0.208 4.753 4.550 -0.008 0.000 0.334 901 Y C -0.147 175.745 175.900 -0.013 0.000 1.080 901 Y CA -0.385 57.707 58.100 -0.013 0.000 1.355 901 Y CB 0.361 38.854 38.460 0.055 0.000 1.193 901 Y HN -0.088 nan 8.280 nan 0.000 0.523 902 I N 6.636 126.850 120.570 -0.594 0.000 2.378 902 I HA 0.173 4.338 4.170 -0.009 0.000 0.291 902 I C -0.117 175.664 176.117 -0.561 0.000 0.992 902 I CA -0.950 60.112 61.300 -0.397 0.000 1.154 902 I CB 1.042 38.869 38.000 -0.288 0.000 1.315 902 I HN 0.661 nan 8.210 nan 0.000 0.448 903 N N 3.612 122.177 118.700 -0.225 0.000 2.482 903 N HA 0.199 4.934 4.740 -0.009 0.000 0.260 903 N C 1.254 176.697 175.510 -0.112 0.000 1.236 903 N CA 1.119 54.111 53.050 -0.097 0.000 0.938 903 N CB 1.241 39.754 38.487 0.043 0.000 1.128 903 N HN 0.923 nan 8.380 nan 0.000 0.448 904 G N 0.814 109.576 108.800 -0.064 0.000 2.184 904 G HA2 -0.278 3.677 3.960 -0.009 0.000 0.264 904 G HA3 -0.278 3.677 3.960 -0.009 0.000 0.264 904 G C 0.251 175.105 174.900 -0.076 0.000 0.975 904 G CA -0.083 44.984 45.100 -0.054 0.000 0.642 904 G HN 0.575 nan 8.290 nan 0.000 0.536 905 I N 2.185 122.675 120.570 -0.133 0.000 2.517 905 I HA 0.185 4.350 4.170 -0.009 0.000 0.285 905 I C 1.317 177.390 176.117 -0.074 0.000 1.106 905 I CA -0.406 60.820 61.300 -0.124 0.000 1.402 905 I CB 0.512 38.395 38.000 -0.195 0.000 1.399 905 I HN 0.293 nan 8.210 nan 0.000 0.535 906 R N 7.357 127.835 120.500 -0.037 0.000 2.234 906 R HA 0.425 4.760 4.340 -0.009 0.000 0.324 906 R C -0.327 175.982 176.300 0.014 0.000 1.054 906 R CA -0.552 55.543 56.100 -0.009 0.000 0.912 906 R CB 1.022 31.330 30.300 0.013 0.000 1.030 906 R HN 0.648 nan 8.270 nan 0.000 0.455 907 I N 4.795 125.367 120.570 0.002 0.000 2.436 907 I HA 0.197 4.362 4.170 -0.009 0.000 0.289 907 I C -1.897 174.241 176.117 0.035 0.000 1.083 907 I CA -2.190 59.129 61.300 0.031 0.000 1.372 907 I CB 0.832 38.837 38.000 0.009 0.000 1.408 907 I HN 0.580 nan 8.210 nan 0.000 0.516 908 P HA 0.010 nan 4.420 nan 0.000 0.272 908 P C -1.410 175.978 177.300 0.147 0.000 1.243 908 P CA 0.219 63.428 63.100 0.181 0.000 0.803 908 P CB 0.190 32.043 31.700 0.255 0.000 0.974 909 Y N -0.047 120.316 120.300 0.105 0.000 2.402 909 Y HA 0.178 4.723 4.550 -0.009 0.000 0.333 909 Y C 1.588 177.363 175.900 -0.208 0.000 1.076 909 Y CA 0.072 58.163 58.100 -0.015 0.000 1.299 909 Y CB 0.445 38.892 38.460 -0.022 0.000 1.197 909 Y HN 0.193 nan 8.280 nan 0.000 0.517 910 R N 4.801 125.065 120.500 -0.394 0.000 2.679 910 R HA 0.123 4.458 4.340 -0.009 0.000 0.268 910 R C -2.461 173.509 176.300 -0.549 0.000 1.044 910 R CA -1.314 54.163 56.100 -1.038 0.000 1.105 910 R CB 0.148 29.920 30.300 -0.880 0.000 0.989 910 R HN 0.362 nan 8.270 nan 0.000 0.447 911 P HA -0.002 nan 4.420 nan 0.000 0.268 911 P C -1.023 176.111 177.300 -0.277 0.000 1.205 911 P CA 0.145 63.039 63.100 -0.342 0.000 0.771 911 P CB 0.805 32.225 31.700 -0.468 0.000 0.858 912 Q N 0.636 120.343 119.800 -0.155 0.000 2.378 912 Q HA 0.389 4.724 4.340 -0.009 0.000 0.276 912 Q C -0.568 175.355 176.000 -0.129 0.000 1.083 912 Q CA -1.128 54.579 55.803 -0.161 0.000 0.856 912 Q CB 1.292 29.979 28.738 -0.085 0.000 1.383 912 Q HN 0.117 nan 8.270 nan 0.000 0.458 913 V N 2.551 122.352 119.914 -0.188 0.000 2.540 913 V HA -0.043 4.072 4.120 -0.009 0.000 0.297 913 V C 0.423 176.509 176.094 -0.013 0.000 1.024 913 V CA -0.111 62.130 62.300 -0.099 0.000 1.105 913 V CB -0.157 31.598 31.823 -0.112 0.000 0.938 913 V HN 0.536 nan 8.190 nan 0.000 0.482 914 N N 3.574 122.287 118.700 0.021 0.000 2.399 914 N HA 0.008 4.743 4.740 -0.009 0.000 0.259 914 N C 1.318 176.870 175.510 0.070 0.000 1.160 914 N CA 0.168 53.246 53.050 0.046 0.000 0.946 914 N CB 1.314 39.822 38.487 0.035 0.000 1.156 914 N HN 0.755 nan 8.380 nan 0.000 0.489 915 S N 2.621 118.366 115.700 0.075 0.000 2.465 915 S HA -0.034 4.431 4.470 -0.009 0.000 0.241 915 S C 1.620 176.249 174.600 0.049 0.000 1.000 915 S CA 0.788 59.024 58.200 0.060 0.000 0.964 915 S CB 0.028 63.262 63.200 0.057 0.000 0.763 915 S HN 0.515 nan 8.310 nan 0.000 0.512 916 L N 0.010 121.267 121.223 0.056 0.000 2.307 916 L HA 0.098 4.432 4.340 -0.009 0.000 0.211 916 L C 2.836 179.754 176.870 0.080 0.000 1.099 916 L CA 0.404 55.278 54.840 0.055 0.000 0.816 916 L CB -0.334 41.753 42.059 0.046 0.000 0.952 916 L HN 0.237 nan 8.230 nan 0.000 0.455 917 Q N -0.920 118.939 119.800 0.097 0.000 2.084 917 Q HA -0.060 4.275 4.340 -0.009 0.000 0.194 917 Q C 0.162 176.335 176.000 0.288 0.000 0.969 917 Q CA 0.976 56.860 55.803 0.135 0.000 0.829 917 Q CB 0.263 29.033 28.738 0.054 0.000 0.904 917 Q HN 0.430 nan 8.270 nan 0.000 0.464 918 W N 1.423 122.737 121.300 0.023 0.000 2.423 918 W HA 0.609 5.264 4.660 -0.008 0.000 0.286 918 W C -1.155 175.395 176.519 0.053 0.000 1.001 918 W CA -1.344 56.039 57.345 0.062 0.000 1.643 918 W CB 0.125 29.553 29.460 -0.053 0.000 1.593 918 W HN -0.015 nan 8.180 nan 0.000 0.403 919 A N 5.160 127.945 122.820 -0.058 0.000 2.520 919 A HA 0.567 4.882 4.320 -0.009 0.000 0.245 919 A C 0.677 178.019 177.584 -0.403 0.000 1.072 919 A CA 0.702 52.643 52.037 -0.160 0.000 0.761 919 A CB 0.083 19.042 19.000 -0.069 0.000 1.004 919 A HN 0.750 nan 8.150 nan 0.000 0.499 920 R N 0.477 120.756 120.500 -0.368 0.000 3.917 920 R HA -0.151 4.184 4.340 -0.009 0.000 0.464 920 R C 1.218 176.974 176.300 -0.906 0.000 0.241 920 R CA 0.922 56.764 56.100 -0.430 0.000 1.459 920 R CB -1.422 28.699 30.300 -0.299 0.000 1.084 920 R HN 2.576 nan 8.270 nan 0.000 0.525 921 G N -1.507 106.904 108.800 -0.647 0.000 2.396 921 G HA2 -0.352 3.603 3.960 -0.009 0.000 0.242 921 G HA3 -0.352 3.603 3.960 -0.009 0.000 0.242 921 G C 0.256 174.929 174.900 -0.379 0.000 1.069 921 G CA 1.093 45.765 45.100 -0.713 0.000 0.633 921 G HN 0.870 nan 8.290 nan 0.000 0.517 922 T N -0.143 114.167 114.554 -0.407 0.000 2.874 922 T HA 0.559 4.904 4.350 -0.009 0.000 0.281 922 T C -0.082 174.622 174.700 0.008 0.000 0.994 922 T CA 0.295 62.361 62.100 -0.057 0.000 1.015 922 T CB 1.473 70.293 68.868 -0.079 0.000 1.028 922 T HN 0.731 nan 8.240 nan 0.000 0.523 923 V N 4.595 124.529 119.914 0.033 0.000 2.340 923 V HA 0.295 4.410 4.120 -0.009 0.000 0.277 923 V C -0.966 175.176 176.094 0.080 0.000 1.017 923 V CA -0.930 61.418 62.300 0.079 0.000 0.820 923 V CB 0.166 32.023 31.823 0.055 0.000 1.028 923 V HN 0.858 nan 8.190 nan 0.000 0.436 924 Y N 2.651 122.940 120.300 -0.019 0.000 2.810 924 Y HA 0.163 4.708 4.550 -0.008 0.000 0.332 924 Y C 0.695 176.589 175.900 -0.011 0.000 1.243 924 Y CA 0.554 58.643 58.100 -0.017 0.000 1.537 924 Y CB 0.531 38.976 38.460 -0.025 0.000 1.265 924 Y HN 0.650 nan 8.280 nan 0.000 0.572 925 C N 4.937 124.285 119.300 0.080 0.000 2.446 925 C HA 0.608 5.063 4.460 -0.009 0.000 0.329 925 C C 0.033 175.044 174.990 0.036 0.000 1.166 925 C CA -0.389 58.660 59.018 0.050 0.000 1.341 925 C CB -0.432 27.320 27.740 0.019 0.000 1.970 925 C HN 0.979 nan 8.230 nan 0.000 0.452 926 T N 4.110 118.691 114.554 0.046 0.000 2.899 926 T HA 0.482 4.827 4.350 -0.009 0.000 0.284 926 T C -1.281 173.431 174.700 0.019 0.000 1.004 926 T CA -1.107 61.015 62.100 0.037 0.000 1.043 926 T CB 1.414 70.311 68.868 0.049 0.000 1.013 926 T HN 0.597 nan 8.240 nan 0.000 0.518 927 P HA -0.129 nan 4.420 nan 0.000 0.216 927 P C 1.612 178.946 177.300 0.056 0.000 1.150 927 P CA 1.513 64.626 63.100 0.022 0.000 0.837 927 P CB -0.358 31.346 31.700 0.006 0.000 0.786 928 A N 0.571 123.420 122.820 0.048 0.000 1.883 928 A HA -0.252 4.063 4.320 -0.009 0.000 0.217 928 A C 2.363 179.979 177.584 0.053 0.000 1.186 928 A CA 1.945 54.015 52.037 0.055 0.000 0.624 928 A CB -1.473 17.552 19.000 0.041 0.000 0.822 928 A HN 0.250 nan 8.150 nan 0.000 0.444 929 Q N -1.218 118.604 119.800 0.037 0.000 2.167 929 Q HA -0.067 4.268 4.340 -0.009 0.000 0.202 929 Q C 2.029 178.032 176.000 0.005 0.000 0.970 929 Q CA 1.202 57.019 55.803 0.024 0.000 0.855 929 Q CB -0.287 28.465 28.738 0.023 0.000 0.911 929 Q HN 0.574 nan 8.270 nan 0.000 0.438 930 L N 1.239 122.462 121.223 0.001 0.000 2.056 930 L HA -0.122 4.213 4.340 -0.009 0.000 0.207 930 L C 1.589 178.409 176.870 -0.084 0.000 1.078 930 L CA 1.568 56.371 54.840 -0.061 0.000 0.749 930 L CB -0.394 41.636 42.059 -0.048 0.000 0.901 930 L HN 0.113 nan 8.230 nan 0.000 0.433 931 N N -0.101 118.660 118.700 0.101 0.000 2.205 931 N HA -0.238 4.497 4.740 -0.009 0.000 0.186 931 N C 1.784 177.379 175.510 0.142 0.000 1.015 931 N CA 1.490 54.708 53.050 0.280 0.000 0.862 931 N CB -0.114 38.550 38.487 0.295 0.000 0.986 931 N HN 0.584 nan 8.380 nan 0.000 0.429 932 E N 0.570 120.805 120.200 0.059 0.000 2.112 932 E HA -0.018 4.327 4.350 -0.009 0.000 0.190 932 E C 1.969 178.564 176.600 -0.009 0.000 0.979 932 E CA 0.300 56.724 56.400 0.039 0.000 0.814 932 E CB 0.092 29.812 29.700 0.033 0.000 0.762 932 E HN 0.241 nan 8.360 nan 0.000 0.460 933 L N 0.471 121.657 121.223 -0.062 0.000 2.017 933 L HA -0.196 4.139 4.340 -0.009 0.000 0.208 933 L C 2.496 179.273 176.870 -0.156 0.000 1.073 933 L CA 1.064 55.851 54.840 -0.088 0.000 0.745 933 L CB -0.360 41.627 42.059 -0.120 0.000 0.894 933 L HN 0.245 nan 8.230 nan 0.000 0.432 934 L N -1.058 119.932 121.223 -0.389 0.000 2.209 934 L HA 0.046 4.380 4.340 -0.009 0.000 0.207 934 L C 2.373 179.046 176.870 -0.329 0.000 1.094 934 L CA 0.901 55.368 54.840 -0.621 0.000 0.790 934 L CB -0.612 40.492 42.059 -1.592 0.000 0.932 934 L HN 0.262 nan 8.230 nan 0.000 0.447 935 G N -0.796 107.971 108.800 -0.056 0.000 2.796 935 G HA2 0.404 4.359 3.960 -0.009 0.000 0.210 935 G HA3 0.404 4.359 3.960 -0.009 0.000 0.210 935 G C 0.737 175.723 174.900 0.142 0.000 1.146 935 G CA 0.486 45.749 45.100 0.272 0.000 0.779 935 G HN 0.464 nan 8.290 nan 0.000 0.535 936 G N -0.987 107.859 108.800 0.077 0.000 2.712 936 G HA2 -0.084 3.871 3.960 -0.009 0.000 0.686 936 G HA3 -0.084 3.871 3.960 -0.009 0.000 0.686 936 G C 0.668 175.604 174.900 0.059 0.000 1.321 936 G CA -0.415 44.722 45.100 0.062 0.000 0.813 936 G HN 0.624 nan 8.290 nan 0.000 0.599 937 V N 0.436 120.376 119.914 0.044 0.000 2.594 937 V HA -0.128 3.987 4.120 -0.009 0.000 0.253 937 V C 1.837 177.953 176.094 0.037 0.000 1.069 937 V CA 2.130 64.452 62.300 0.038 0.000 1.082 937 V CB -0.351 31.489 31.823 0.029 0.000 0.680 937 V HN 0.689 nan 8.190 nan 0.000 0.469 938 N N 0.303 119.026 118.700 0.038 0.000 2.321 938 N HA 0.108 4.843 4.740 -0.009 0.000 0.242 938 N C 0.578 176.109 175.510 0.034 0.000 1.141 938 N CA -0.127 52.941 53.050 0.031 0.000 0.864 938 N CB 0.035 38.537 38.487 0.024 0.000 1.100 938 N HN 0.454 nan 8.380 nan 0.000 0.510 939 R N 2.359 122.890 120.500 0.051 0.000 2.486 939 R HA 0.028 4.363 4.340 -0.009 0.000 0.303 939 R C -2.078 174.236 176.300 0.023 0.000 0.958 939 R CA -0.584 55.550 56.100 0.057 0.000 1.077 939 R CB 0.122 30.480 30.300 0.097 0.000 0.921 939 R HN -0.027 nan 8.270 nan 0.000 0.406 940 P HA 0.049 nan 4.420 nan 0.000 0.270 940 P C -1.208 176.068 177.300 -0.040 0.000 1.223 940 P CA -0.226 62.861 63.100 -0.021 0.000 0.785 940 P CB 0.731 32.411 31.700 -0.034 0.000 0.923 941 A N 1.539 124.332 122.820 -0.044 0.000 2.363 941 A HA 0.452 4.767 4.320 -0.009 0.000 0.270 941 A C 0.670 178.198 177.584 -0.092 0.000 1.121 941 A CA -0.232 51.772 52.037 -0.054 0.000 0.800 941 A CB -0.360 18.616 19.000 -0.039 0.000 1.052 941 A HN 0.613 nan 8.150 nan 0.000 0.493 942 S N 1.511 117.141 115.700 -0.116 0.000 2.584 942 S HA 0.126 4.591 4.470 -0.009 0.000 0.270 942 S C 0.773 175.257 174.600 -0.192 0.000 1.346 942 S CA 0.334 58.412 58.200 -0.203 0.000 1.018 942 S CB 0.563 63.643 63.200 -0.200 0.000 0.899 942 S HN 0.767 nan 8.310 nan 0.000 0.542 943 K N 0.272 120.478 120.400 -0.323 0.000 2.426 943 K HA 0.106 4.421 4.320 -0.009 0.000 0.193 943 K C -0.376 176.177 176.600 -0.078 0.000 1.028 943 K CA 0.014 56.176 56.287 -0.208 0.000 1.047 943 K CB -0.303 32.060 32.500 -0.228 0.000 0.821 943 K HN 0.711 nan 8.250 nan 0.000 0.513 944 Y N 2.135 122.436 120.300 0.002 0.000 2.299 944 Y HA 0.158 4.703 4.550 -0.008 0.000 0.326 944 Y C 1.153 177.035 175.900 -0.030 0.000 1.164 944 Y CA -1.122 56.987 58.100 0.015 0.000 1.234 944 Y CB 1.258 39.768 38.460 0.082 0.000 1.219 944 Y HN -0.132 nan 8.280 nan 0.000 0.497 945 K N 1.412 121.884 120.400 0.120 0.000 2.217 945 K HA -0.125 4.190 4.320 -0.009 0.000 0.202 945 K C 1.164 177.675 176.600 -0.148 0.000 1.051 945 K CA 1.133 57.404 56.287 -0.028 0.000 0.952 945 K CB 0.046 32.516 32.500 -0.049 0.000 0.736 945 K HN 0.676 nan 8.250 nan 0.000 0.453 946 E N 0.868 120.978 120.200 -0.149 0.000 2.153 946 E HA -0.161 4.183 4.350 -0.009 0.000 0.194 946 E C 1.995 178.456 176.600 -0.232 0.000 0.988 946 E CA 1.058 57.247 56.400 -0.351 0.000 0.811 946 E CB -0.152 29.261 29.700 -0.477 0.000 0.746 946 E HN 0.140 nan 8.360 nan 0.000 0.466 947 S N 0.025 115.738 115.700 0.022 0.000 2.353 947 S HA -0.168 4.297 4.470 -0.009 0.000 0.222 947 S C 1.878 176.454 174.600 -0.040 0.000 1.035 947 S CA 1.221 59.456 58.200 0.058 0.000 1.025 947 S CB -0.232 63.025 63.200 0.096 0.000 0.902 947 S HN 0.237 nan 8.310 nan 0.000 0.440 948 I N 0.813 121.346 120.570 -0.062 0.000 2.439 948 I HA -0.093 4.072 4.170 -0.009 0.000 0.251 948 I C 2.127 178.181 176.117 -0.105 0.000 1.139 948 I CA 0.830 62.088 61.300 -0.070 0.000 1.438 948 I CB -0.322 37.643 38.000 -0.059 0.000 1.085 948 I HN 0.335 nan 8.210 nan 0.000 0.427 949 I N 1.184 121.644 120.570 -0.184 0.000 2.179 949 I HA -0.232 3.933 4.170 -0.009 0.000 0.242 949 I C 1.990 178.018 176.117 -0.149 0.000 1.088 949 I CA 0.954 62.119 61.300 -0.225 0.000 1.357 949 I CB -0.319 37.404 38.000 -0.463 0.000 1.051 949 I HN 0.129 nan 8.210 nan 0.000 0.409 950 A N 1.563 124.273 122.820 -0.185 0.000 2.900 950 A HA 0.129 4.444 4.320 -0.009 0.000 0.246 950 A C 0.198 177.764 177.584 -0.031 0.000 1.725 950 A CA 0.522 52.504 52.037 -0.092 0.000 1.400 950 A CB -0.869 18.035 19.000 -0.160 0.000 0.973 950 A HN 0.458 nan 8.150 nan 0.000 0.635 951 E N 0.000 120.188 120.200 -0.021 0.000 2.725 951 E HA 0.000 4.345 4.350 -0.009 0.000 0.291 951 E CA 0.000 56.390 56.400 -0.016 0.000 0.976 951 E CB 0.000 29.687 29.700 -0.022 0.000 0.812 951 E HN 0.000 nan 8.360 nan 0.000 0.440