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 1nug_1_B DATA FIRST_RESID 1 DATA SEQUENCE AALGVQSINW QTAFNRQAHH TDKFSSQELI LRRGQNFQVL MIMNKGLGSN DATA SEQUENCE ERLEFIVSTG PYPSESAMTK AVFPLSNGSS GGWSAVLQAS NGNTLTISIS DATA SEQUENCE SPASAPIGRY TMALQIFSQG GISSVKLGTF ILLFNPWLNV DSVFMGNHAE DATA SEQUENCE REEYVQEDAG IIFVGSTNRI GMIGWNFGQF EEDILSICLS ILDRSLNFRR DATA SEQUENCE DAATDVASRN DPKYVGRVLS AMINSNDDNG VLAGNWSGTY TGGRDPRSWD DATA SEQUENCE GSVEILKNWK KSGLSPVRYG QCWVFAGTLN TALRSLGIPS RVITNFNSAH DATA SEQUENCE DTDRNLSVDV YYDPMGNPLD KGSDSVWNFH VWNEGWFVRS DLGPSYGGWQ DATA SEQUENCE VLDATPQERS QGVFQCGPAS VIGVREGDVQ LNFDMPFIFA EVNADRITWL DATA SEQUENCE YDNTTGKQWK NSVNSHTIGR YISTKAVGSN ARMDVTDKYK YPEGSDQERQ DATA SEQUENCE VFQKALGKLX XXXXXXXXXX XXLETEEQEP SIIGKLKVAG MLAVGKEVNL DATA SEQUENCE VLLLKNLSRD TKTVTVNMTA WTIIYNGTLV HEVWKDSATM SLDPEEEAEH DATA SEQUENCE PIKISYAQYE RYLKSDNMIR ITAVCKVPDE SEVVVERDII LDNPTLTLEV DATA SEQUENCE LNEARVRKPV NVQMLFSNPL DEPVRDCVLM VEGSGLLLGN LKIDVPTLGP DATA SEQUENCE KERSRVRFDI LPSRSGTKQL LADFSCNKFP AIKAMLSIDV AE 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.576 177.584 -0.013 0.000 1.274 1 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 1 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 2 A N 1.354 124.164 122.820 -0.016 0.000 2.483 2 A HA 0.505 4.824 4.320 -0.002 0.000 0.238 2 A C 0.484 178.055 177.584 -0.021 0.000 1.070 2 A CA 0.019 52.045 52.037 -0.018 0.000 0.770 2 A CB 0.041 19.025 19.000 -0.027 0.000 1.008 2 A HN 2.026 nan 8.150 nan 0.000 0.497 3 L N 1.976 123.188 121.223 -0.018 0.000 2.499 3 L HA 0.516 4.855 4.340 -0.002 0.000 0.273 3 L C 0.523 177.373 176.870 -0.033 0.000 1.195 3 L CA 1.399 56.226 54.840 -0.021 0.000 0.882 3 L CB 0.161 42.212 42.059 -0.014 0.000 1.133 3 L HN 0.844 nan 8.230 nan 0.000 0.483 4 G N 3.930 112.709 108.800 -0.035 0.000 2.690 4 G HA2 0.560 4.519 3.960 -0.002 0.000 0.293 4 G HA3 0.560 4.519 3.960 -0.002 0.000 0.293 4 G C -1.668 173.205 174.900 -0.044 0.000 1.399 4 G CA -0.692 44.382 45.100 -0.044 0.000 0.890 4 G HN 0.542 nan 8.290 nan 0.000 0.485 5 V N 1.006 120.889 119.914 -0.052 0.000 2.583 5 V HA 0.214 4.333 4.120 -0.002 0.000 0.287 5 V C 0.827 176.900 176.094 -0.036 0.000 1.051 5 V CA 0.037 62.306 62.300 -0.051 0.000 1.010 5 V CB 1.379 33.163 31.823 -0.064 0.000 0.988 5 V HN 0.901 nan 8.190 nan 0.000 0.478 6 Q N 2.321 122.102 119.800 -0.032 0.000 2.396 6 Q HA 0.225 4.563 4.340 -0.002 0.000 0.220 6 Q C 0.425 176.414 176.000 -0.019 0.000 0.900 6 Q CA 0.616 56.406 55.803 -0.022 0.000 0.925 6 Q CB 1.119 29.845 28.738 -0.019 0.000 1.065 6 Q HN 0.913 nan 8.270 nan 0.000 0.535 7 S N -0.760 114.921 115.700 -0.032 0.000 2.597 7 S HA 0.517 4.986 4.470 -0.002 0.000 0.274 7 S C -1.537 173.015 174.600 -0.079 0.000 1.132 7 S CA -0.991 57.189 58.200 -0.034 0.000 0.835 7 S CB 1.206 64.394 63.200 -0.020 0.000 1.092 7 S HN 0.213 nan 8.310 nan 0.000 0.457 8 I N 1.614 122.116 120.570 -0.114 0.000 2.647 8 I HA 0.569 4.738 4.170 -0.002 0.000 0.295 8 I C -1.548 174.397 176.117 -0.286 0.000 1.078 8 I CA -0.645 60.494 61.300 -0.269 0.000 1.048 8 I CB 1.942 39.662 38.000 -0.467 0.000 1.239 8 I HN 0.839 nan 8.210 nan 0.000 0.421 9 N N 5.945 124.468 118.700 -0.295 0.000 2.446 9 N HA 0.226 4.964 4.740 -0.002 0.000 0.265 9 N C -0.498 174.901 175.510 -0.186 0.000 0.975 9 N CA -0.370 52.590 53.050 -0.149 0.000 0.928 9 N CB 1.151 39.600 38.487 -0.063 0.000 1.160 9 N HN 0.672 nan 8.380 nan 0.000 0.495 10 W N 1.635 122.984 121.300 0.082 0.000 3.139 10 W HA 0.196 4.855 4.660 -0.002 0.000 0.260 10 W C 0.788 177.374 176.519 0.111 0.000 1.312 10 W CA -0.188 57.219 57.345 0.103 0.000 1.606 10 W CB 0.097 29.612 29.460 0.092 0.000 1.118 10 W HN 0.522 nan 8.180 nan 0.000 0.675 11 Q N -0.018 119.942 119.800 0.266 0.000 2.434 11 Q HA -0.274 4.065 4.340 -0.002 0.000 0.299 11 Q C 1.086 177.245 176.000 0.265 0.000 1.286 11 Q CA 0.798 56.737 55.803 0.227 0.000 0.872 11 Q CB -1.816 27.039 28.738 0.194 0.000 1.193 11 Q HN 0.256 nan 8.270 nan 0.000 0.466 12 T N -0.484 114.209 114.554 0.232 0.000 2.620 12 T HA -0.331 4.018 4.350 -0.002 0.000 0.267 12 T C 1.796 176.559 174.700 0.105 0.000 1.044 12 T CA 1.905 64.094 62.100 0.148 0.000 1.161 12 T CB -0.262 68.673 68.868 0.113 0.000 0.862 12 T HN 0.698 nan 8.240 nan 0.000 0.438 13 A N 0.824 123.715 122.820 0.118 0.000 1.883 13 A HA -0.072 4.246 4.320 -0.002 0.000 0.217 13 A C 2.076 179.716 177.584 0.093 0.000 1.186 13 A CA 1.855 53.946 52.037 0.090 0.000 0.624 13 A CB -1.081 17.977 19.000 0.097 0.000 0.822 13 A HN 0.525 nan 8.150 nan 0.000 0.444 14 F N 1.256 121.224 119.950 0.029 0.000 2.102 14 F HA -0.214 4.312 4.527 -0.002 0.000 0.298 14 F C 2.169 177.983 175.800 0.024 0.000 1.105 14 F CA 2.132 60.147 58.000 0.024 0.000 1.239 14 F CB -0.180 38.841 39.000 0.035 0.000 0.991 14 F HN 0.207 nan 8.300 nan 0.000 0.474 15 N N 0.627 119.335 118.700 0.013 0.000 2.142 15 N HA -0.130 4.609 4.740 -0.002 0.000 0.186 15 N C 1.936 177.345 175.510 -0.170 0.000 1.023 15 N CA 1.377 54.372 53.050 -0.091 0.000 0.852 15 N CB -0.444 38.053 38.487 0.017 0.000 0.998 15 N HN 0.384 nan 8.380 nan 0.000 0.424 16 R N 0.928 121.356 120.500 -0.120 0.000 2.092 16 R HA -0.075 4.264 4.340 -0.002 0.000 0.231 16 R C 2.207 178.424 176.300 -0.139 0.000 1.119 16 R CA 0.851 56.895 56.100 -0.093 0.000 0.970 16 R CB -0.196 30.089 30.300 -0.025 0.000 0.864 16 R HN 0.381 nan 8.270 nan 0.000 0.440 17 Q N 0.427 120.119 119.800 -0.181 0.000 2.020 17 Q HA -0.163 4.176 4.340 -0.002 0.000 0.202 17 Q C 2.068 177.830 176.000 -0.398 0.000 0.982 17 Q CA 1.886 57.549 55.803 -0.233 0.000 0.838 17 Q CB -0.092 28.526 28.738 -0.200 0.000 0.899 17 Q HN 0.385 nan 8.270 nan 0.000 0.423 18 A N -0.244 122.304 122.820 -0.453 0.000 1.969 18 A HA -0.167 4.152 4.320 -0.002 0.000 0.218 18 A C 1.461 178.652 177.584 -0.656 0.000 1.169 18 A CA 1.275 53.000 52.037 -0.519 0.000 0.635 18 A CB -0.668 18.065 19.000 -0.444 0.000 0.810 18 A HN 0.513 nan 8.150 nan 0.000 0.445 19 H N -1.202 117.540 119.070 -0.547 0.000 2.533 19 H HA 0.030 4.585 4.556 -0.002 0.000 0.271 19 H C -0.399 174.636 175.328 -0.489 0.000 1.000 19 H CA 0.370 56.160 56.048 -0.429 0.000 1.149 19 H CB -0.062 29.578 29.762 -0.204 0.000 1.375 19 H HN 0.668 nan 8.280 nan 0.000 0.582 20 H N 0.137 118.996 119.070 -0.351 0.000 2.692 20 H HA -0.122 4.433 4.556 -0.002 0.000 0.316 20 H C 0.675 175.915 175.328 -0.147 0.000 1.176 20 H CA 1.152 56.943 56.048 -0.429 0.000 1.142 20 H CB -2.261 26.789 29.762 -1.187 0.000 1.475 20 H HN 0.514 nan 8.280 nan 0.000 0.423 21 T N -3.463 111.121 114.554 0.049 0.000 3.170 21 T HA 0.021 4.370 4.350 -0.002 0.000 0.288 21 T C 1.190 176.035 174.700 0.240 0.000 0.992 21 T CA 0.142 62.412 62.100 0.284 0.000 0.909 21 T CB 0.478 69.519 68.868 0.288 0.000 1.133 21 T HN 0.409 nan 8.240 nan 0.000 0.530 22 D N 1.905 122.328 120.400 0.039 0.000 2.312 22 D HA -0.086 4.553 4.640 -0.002 0.000 0.211 22 D C 1.530 177.792 176.300 -0.064 0.000 0.964 22 D CA 0.361 54.360 54.000 -0.001 0.000 0.877 22 D CB 0.015 40.783 40.800 -0.054 0.000 0.924 22 D HN 0.342 nan 8.370 nan 0.000 0.515 23 K N -0.026 120.224 120.400 -0.251 0.000 2.365 23 K HA 0.016 4.335 4.320 -0.002 0.000 0.199 23 K C 0.394 176.807 176.600 -0.311 0.000 1.045 23 K CA 0.029 56.000 56.287 -0.526 0.000 0.962 23 K CB -0.123 31.590 32.500 -1.312 0.000 0.759 23 K HN 0.175 nan 8.250 nan 0.000 0.469 24 F N 1.603 121.618 119.950 0.108 0.000 2.538 24 F HA -0.040 4.486 4.527 -0.002 0.000 0.371 24 F C 1.273 177.152 175.800 0.131 0.000 1.087 24 F CA -0.084 58.062 58.000 0.244 0.000 1.250 24 F CB 0.629 39.764 39.000 0.224 0.000 1.110 24 F HN -0.187 nan 8.300 nan 0.000 0.570 25 S N 3.362 119.260 115.700 0.330 0.000 2.701 25 S HA 0.369 4.838 4.470 -0.002 0.000 0.317 25 S C -0.306 174.404 174.600 0.182 0.000 1.149 25 S CA -0.068 58.251 58.200 0.198 0.000 1.052 25 S CB -0.447 62.853 63.200 0.167 0.000 1.257 25 S HN 0.662 nan 8.310 nan 0.000 0.532 26 S N 3.024 118.815 115.700 0.152 0.000 2.565 26 S HA 0.348 4.817 4.470 -0.002 0.000 0.274 26 S C -0.029 174.613 174.600 0.071 0.000 1.144 26 S CA -0.603 57.657 58.200 0.100 0.000 0.849 26 S CB 1.129 64.383 63.200 0.090 0.000 1.103 26 S HN 0.558 nan 8.310 nan 0.000 0.455 27 Q N 1.146 120.971 119.800 0.041 0.000 2.376 27 Q HA 0.230 4.568 4.340 -0.002 0.000 0.206 27 Q C -0.036 175.968 176.000 0.005 0.000 0.921 27 Q CA 0.528 56.349 55.803 0.030 0.000 0.911 27 Q CB -0.144 28.610 28.738 0.026 0.000 1.032 27 Q HN 0.723 nan 8.270 nan 0.000 0.510 28 E N 1.222 121.413 120.200 -0.016 0.000 2.459 28 E HA -0.032 4.317 4.350 -0.002 0.000 0.264 28 E C -0.309 176.248 176.600 -0.071 0.000 1.055 28 E CA -0.191 56.174 56.400 -0.059 0.000 0.957 28 E CB 0.491 30.149 29.700 -0.070 0.000 0.952 28 E HN -0.059 nan 8.360 nan 0.000 0.448 29 L N 4.439 125.584 121.223 -0.129 0.000 2.385 29 L HA 0.229 4.568 4.340 -0.002 0.000 0.281 29 L C -0.913 175.881 176.870 -0.126 0.000 1.106 29 L CA 0.574 55.322 54.840 -0.152 0.000 0.856 29 L CB -0.031 41.856 42.059 -0.287 0.000 1.186 29 L HN 0.340 nan 8.230 nan 0.000 0.453 30 I N 6.746 127.247 120.570 -0.115 0.000 2.362 30 I HA 0.396 4.564 4.170 -0.002 0.000 0.289 30 I C -0.414 175.619 176.117 -0.140 0.000 0.994 30 I CA -0.454 60.784 61.300 -0.103 0.000 1.158 30 I CB 1.207 39.153 38.000 -0.089 0.000 1.315 30 I HN 0.552 nan 8.210 nan 0.000 0.451 31 L N 5.818 126.954 121.223 -0.144 0.000 2.257 31 L HA 0.675 5.014 4.340 -0.002 0.000 0.257 31 L C -0.384 176.528 176.870 0.069 0.000 1.033 31 L CA -1.005 53.711 54.840 -0.207 0.000 0.835 31 L CB 1.947 43.651 42.059 -0.592 0.000 1.398 31 L HN 0.481 nan 8.230 nan 0.000 0.429 32 R N 0.185 120.873 120.500 0.312 0.000 2.670 32 R HA 0.467 4.806 4.340 -0.002 0.000 0.289 32 R C -0.946 175.440 176.300 0.144 0.000 0.965 32 R CA -0.976 55.260 56.100 0.227 0.000 0.899 32 R CB 2.302 32.755 30.300 0.255 0.000 1.173 32 R HN 0.580 nan 8.270 nan 0.000 0.456 33 R N 0.352 120.884 120.500 0.054 0.000 2.784 33 R HA 0.224 4.562 4.340 -0.002 0.000 0.266 33 R C 0.479 176.760 176.300 -0.031 0.000 1.044 33 R CA 0.531 56.605 56.100 -0.043 0.000 1.151 33 R CB 0.122 30.382 30.300 -0.067 0.000 1.037 33 R HN 0.789 nan 8.270 nan 0.000 0.478 34 G N -0.087 108.636 108.800 -0.129 0.000 2.155 34 G HA2 -0.360 3.599 3.960 -0.002 0.000 0.257 34 G HA3 -0.360 3.599 3.960 -0.002 0.000 0.257 34 G C -0.076 174.782 174.900 -0.069 0.000 0.983 34 G CA 0.792 45.827 45.100 -0.108 0.000 0.676 34 G HN 0.758 nan 8.290 nan 0.000 0.528 35 Q N -0.198 119.584 119.800 -0.029 0.000 2.375 35 Q HA 0.436 4.775 4.340 -0.002 0.000 0.271 35 Q C 0.078 176.171 176.000 0.155 0.000 1.074 35 Q CA -0.804 54.984 55.803 -0.026 0.000 0.808 35 Q CB 0.952 29.527 28.738 -0.273 0.000 1.327 35 Q HN 0.519 nan 8.270 nan 0.000 0.441 36 N N 2.069 120.835 118.700 0.111 0.000 2.482 36 N HA 0.348 5.087 4.740 -0.002 0.000 0.260 36 N C -1.030 174.736 175.510 0.427 0.000 1.236 36 N CA 0.075 53.216 53.050 0.152 0.000 0.938 36 N CB 0.488 38.998 38.487 0.038 0.000 1.128 36 N HN 0.308 nan 8.380 nan 0.000 0.448 37 F N -1.493 118.521 119.950 0.107 0.000 2.591 37 F HA 0.371 4.897 4.527 -0.002 0.000 0.309 37 F C -0.791 175.056 175.800 0.078 0.000 1.098 37 F CA -1.186 56.867 58.000 0.089 0.000 0.937 37 F CB 1.290 40.237 39.000 -0.088 0.000 1.250 37 F HN 0.293 nan 8.300 nan 0.000 0.447 38 Q N 2.974 122.905 119.800 0.218 0.000 2.282 38 Q HA 0.751 5.090 4.340 -0.002 0.000 0.260 38 Q C -1.408 174.649 176.000 0.096 0.000 0.964 38 Q CA -0.968 54.880 55.803 0.075 0.000 0.880 38 Q CB 2.376 31.180 28.738 0.109 0.000 1.286 38 Q HN 0.937 nan 8.270 nan 0.000 0.445 39 V N 1.399 121.295 119.914 -0.029 0.000 3.001 39 V HA 0.667 4.785 4.120 -0.002 0.000 0.314 39 V C -1.103 174.930 176.094 -0.102 0.000 1.099 39 V CA -1.020 61.244 62.300 -0.059 0.000 0.989 39 V CB 1.901 33.631 31.823 -0.156 0.000 1.040 39 V HN 0.761 nan 8.190 nan 0.000 0.434 40 L N 3.552 124.701 121.223 -0.124 0.000 2.325 40 L HA 0.640 4.978 4.340 -0.002 0.000 0.281 40 L C -0.406 176.387 176.870 -0.129 0.000 1.004 40 L CA -0.346 54.432 54.840 -0.104 0.000 0.823 40 L CB 1.762 43.772 42.059 -0.083 0.000 1.236 40 L HN 0.689 nan 8.230 nan 0.000 0.415 41 M N 4.735 124.280 119.600 -0.092 0.000 2.125 41 M HA 0.497 4.976 4.480 -0.002 0.000 0.321 41 M C -0.953 175.311 176.300 -0.059 0.000 0.983 41 M CA -0.429 54.818 55.300 -0.088 0.000 0.934 41 M CB 1.551 34.118 32.600 -0.054 0.000 1.542 41 M HN 0.482 nan 8.290 nan 0.000 0.424 42 I N 6.272 126.806 120.570 -0.060 0.000 2.301 42 I HA 0.199 4.367 4.170 -0.002 0.000 0.292 42 I C -0.012 176.082 176.117 -0.038 0.000 1.046 42 I CA -0.497 60.778 61.300 -0.042 0.000 1.282 42 I CB 0.873 38.851 38.000 -0.036 0.000 1.409 42 I HN 0.636 nan 8.210 nan 0.000 0.484 43 M N 5.112 124.693 119.600 -0.032 0.000 2.219 43 M HA 0.200 4.679 4.480 -0.002 0.000 0.280 43 M C 1.283 177.569 176.300 -0.024 0.000 1.189 43 M CA -0.368 54.914 55.300 -0.030 0.000 1.010 43 M CB 0.143 32.726 32.600 -0.028 0.000 1.422 43 M HN 0.530 nan 8.290 nan 0.000 0.504 44 N N 0.479 119.165 118.700 -0.023 0.000 2.424 44 N HA -0.024 4.715 4.740 -0.002 0.000 0.178 44 N C -0.130 175.370 175.510 -0.015 0.000 1.060 44 N CA 0.490 53.529 53.050 -0.018 0.000 0.901 44 N CB 0.533 39.009 38.487 -0.019 0.000 0.979 44 N HN 0.746 nan 8.380 nan 0.000 0.451 45 K N -2.058 118.333 120.400 -0.015 0.000 2.499 45 K HA 0.555 4.873 4.320 -0.002 0.000 0.284 45 K C -0.288 176.305 176.600 -0.011 0.000 1.039 45 K CA -0.913 55.367 56.287 -0.012 0.000 0.873 45 K CB 0.367 32.861 32.500 -0.011 0.000 1.545 45 K HN -0.130 nan 8.250 nan 0.000 0.402 46 G N 0.493 109.287 108.800 -0.009 0.000 2.527 46 G HA2 0.347 4.306 3.960 -0.002 0.000 0.248 46 G HA3 0.347 4.306 3.960 -0.002 0.000 0.248 46 G C -0.809 174.087 174.900 -0.005 0.000 1.231 46 G CA -0.606 44.490 45.100 -0.007 0.000 0.838 46 G HN 0.432 nan 8.290 nan 0.000 0.570 47 L N 2.175 123.395 121.223 -0.004 0.000 2.315 47 L HA 0.578 4.917 4.340 -0.002 0.000 0.283 47 L C 0.845 177.716 176.870 0.002 0.000 1.089 47 L CA -0.277 54.563 54.840 -0.000 0.000 0.833 47 L CB 0.369 42.429 42.059 0.002 0.000 1.170 47 L HN 0.492 nan 8.230 nan 0.000 0.442 48 G N 2.649 111.451 108.800 0.003 0.000 2.415 48 G HA2 0.320 4.278 3.960 -0.002 0.000 0.269 48 G HA3 0.320 4.278 3.960 -0.002 0.000 0.269 48 G C 0.824 175.727 174.900 0.005 0.000 1.209 48 G CA 0.101 45.203 45.100 0.004 0.000 0.835 48 G HN 0.924 nan 8.290 nan 0.000 0.534 49 S N 0.666 116.367 115.700 0.003 0.000 2.469 49 S HA -0.165 4.304 4.470 -0.002 0.000 0.238 49 S C 1.512 176.112 174.600 -0.000 0.000 0.998 49 S CA 1.289 59.490 58.200 0.001 0.000 0.957 49 S CB -0.211 62.989 63.200 -0.000 0.000 0.764 49 S HN 0.713 nan 8.310 nan 0.000 0.514 50 N N 0.748 119.451 118.700 0.004 0.000 2.280 50 N HA 0.078 4.817 4.740 -0.002 0.000 0.192 50 N C -0.204 175.316 175.510 0.016 0.000 1.109 50 N CA -0.117 52.937 53.050 0.006 0.000 0.855 50 N CB 0.328 38.821 38.487 0.011 0.000 0.974 50 N HN 0.586 nan 8.380 nan 0.000 0.482 51 E N 0.381 120.592 120.200 0.019 0.000 2.239 51 E HA 0.378 4.727 4.350 -0.002 0.000 0.261 51 E C -0.520 176.093 176.600 0.023 0.000 1.016 51 E CA -0.639 55.786 56.400 0.042 0.000 0.882 51 E CB 1.954 31.676 29.700 0.037 0.000 1.190 51 E HN 0.071 nan 8.360 nan 0.000 0.415 52 R N 1.104 121.638 120.500 0.057 0.000 2.604 52 R HA 0.383 4.722 4.340 -0.002 0.000 0.270 52 R C -1.837 174.502 176.300 0.066 0.000 1.052 52 R CA -0.501 55.597 56.100 -0.003 0.000 0.902 52 R CB 1.052 31.239 30.300 -0.189 0.000 1.233 52 R HN 0.447 nan 8.270 nan 0.000 0.455 53 L N 3.175 124.400 121.223 0.004 0.000 2.322 53 L HA 0.525 4.864 4.340 -0.002 0.000 0.281 53 L C -0.392 176.427 176.870 -0.086 0.000 1.014 53 L CA -0.860 53.941 54.840 -0.065 0.000 0.815 53 L CB 1.972 43.949 42.059 -0.136 0.000 1.247 53 L HN 0.523 nan 8.230 nan 0.000 0.421 54 E N 3.170 123.286 120.200 -0.141 0.000 2.185 54 E HA 0.386 4.734 4.350 -0.002 0.000 0.261 54 E C -1.177 175.216 176.600 -0.345 0.000 0.879 54 E CA -0.470 55.853 56.400 -0.127 0.000 0.756 54 E CB 2.158 31.881 29.700 0.039 0.000 1.152 54 E HN 0.217 nan 8.360 nan 0.000 0.416 55 F N 2.259 121.924 119.950 -0.475 0.000 2.375 55 F HA 0.409 4.935 4.527 -0.002 0.000 0.333 55 F C 0.731 176.193 175.800 -0.563 0.000 1.104 55 F CA -0.398 57.239 58.000 -0.606 0.000 1.149 55 F CB 0.778 39.166 39.000 -1.020 0.000 1.190 55 F HN 0.255 nan 8.300 nan 0.000 0.533 56 I N 3.521 124.029 120.570 -0.102 0.000 2.500 56 I HA 0.379 4.548 4.170 -0.002 0.000 0.286 56 I C -1.065 175.103 176.117 0.085 0.000 1.063 56 I CA -0.942 60.347 61.300 -0.019 0.000 1.062 56 I CB 1.681 39.675 38.000 -0.010 0.000 1.223 56 I HN 0.313 nan 8.210 nan 0.000 0.435 57 V N 1.886 121.840 119.914 0.067 0.000 2.667 57 V HA 0.891 5.010 4.120 -0.002 0.000 0.308 57 V C -0.122 176.023 176.094 0.085 0.000 1.048 57 V CA -0.237 62.130 62.300 0.111 0.000 0.928 57 V CB 1.763 33.512 31.823 -0.122 0.000 1.004 57 V HN 0.716 nan 8.190 nan 0.000 0.444 58 S N 1.649 117.423 115.700 0.123 0.000 2.537 58 S HA 0.752 5.221 4.470 -0.002 0.000 0.270 58 S C -0.573 173.856 174.600 -0.285 0.000 1.142 58 S CA -0.529 57.645 58.200 -0.042 0.000 0.870 58 S CB 1.965 65.143 63.200 -0.037 0.000 1.112 58 S HN 1.263 nan 8.310 nan 0.000 0.466 59 T N 0.762 115.045 114.554 -0.453 0.000 2.909 59 T HA 0.759 5.108 4.350 -0.002 0.000 0.299 59 T C -0.035 174.494 174.700 -0.285 0.000 1.073 59 T CA 0.848 62.599 62.100 -0.582 0.000 0.999 59 T CB 0.954 69.134 68.868 -1.146 0.000 1.098 59 T HN 1.910 nan 8.240 nan 0.000 0.477 60 G N 4.353 113.035 108.800 -0.197 0.000 2.781 60 G HA2 -0.090 3.868 3.960 -0.002 0.000 0.683 60 G HA3 -0.090 3.868 3.960 -0.002 0.000 0.683 60 G C -1.785 173.046 174.900 -0.115 0.000 1.390 60 G CA -0.203 44.856 45.100 -0.069 0.000 0.850 60 G HN 0.665 nan 8.290 nan 0.000 0.557 61 P HA 0.060 nan 4.420 nan 0.000 0.233 61 P C -0.109 176.737 177.300 -0.757 0.000 1.167 61 P CA 1.253 64.073 63.100 -0.467 0.000 0.770 61 P CB 0.080 31.434 31.700 -0.577 0.000 0.837 62 Y N -0.258 120.026 120.300 -0.027 0.000 2.477 62 Y HA 0.388 4.937 4.550 -0.002 0.000 0.340 62 Y C -2.402 173.480 175.900 -0.030 0.000 0.987 62 Y CA -3.114 54.967 58.100 -0.031 0.000 1.127 62 Y CB -0.023 38.413 38.460 -0.041 0.000 1.139 62 Y HN -0.088 nan 8.280 nan 0.000 0.637 63 P HA -0.036 nan 4.420 nan 0.000 0.256 63 P C 0.026 177.358 177.300 0.054 0.000 1.173 63 P CA 0.682 63.795 63.100 0.021 0.000 0.768 63 P CB 0.725 32.419 31.700 -0.011 0.000 0.758 64 S N 2.430 118.163 115.700 0.055 0.000 2.561 64 S HA 0.267 4.735 4.470 -0.002 0.000 0.303 64 S C 0.908 175.545 174.600 0.061 0.000 1.110 64 S CA -0.601 57.633 58.200 0.056 0.000 1.034 64 S CB 0.978 64.209 63.200 0.052 0.000 1.010 64 S HN 0.192 nan 8.310 nan 0.000 0.482 65 E N 2.493 122.729 120.200 0.061 0.000 2.106 65 E HA -0.040 4.309 4.350 -0.002 0.000 0.192 65 E C 1.799 178.445 176.600 0.077 0.000 0.984 65 E CA 1.569 58.014 56.400 0.075 0.000 0.806 65 E CB -0.082 29.661 29.700 0.072 0.000 0.750 65 E HN 0.592 nan 8.360 nan 0.000 0.458 66 S N 0.088 115.823 115.700 0.059 0.000 2.423 66 S HA -0.042 4.426 4.470 -0.002 0.000 0.231 66 S C 1.882 176.514 174.600 0.053 0.000 1.014 66 S CA 0.855 59.087 58.200 0.052 0.000 0.965 66 S CB -0.034 63.187 63.200 0.036 0.000 0.785 66 S HN 0.385 nan 8.310 nan 0.000 0.495 67 A N 0.484 123.336 122.820 0.053 0.000 2.218 67 A HA 0.379 4.698 4.320 -0.002 0.000 0.209 67 A C 1.038 178.668 177.584 0.076 0.000 1.168 67 A CA 0.293 52.359 52.037 0.048 0.000 0.804 67 A CB -0.479 18.543 19.000 0.036 0.000 0.834 67 A HN 0.416 nan 8.150 nan 0.000 0.482 68 M N -1.533 118.129 119.600 0.104 0.000 2.939 68 M HA -0.168 4.311 4.480 -0.002 0.000 0.202 68 M C 0.920 177.331 176.300 0.185 0.000 0.592 68 M CA 1.223 56.621 55.300 0.164 0.000 0.749 68 M CB -2.676 30.030 32.600 0.176 0.000 2.692 68 M HN 0.612 nan 8.290 nan 0.000 0.382 69 T N -2.430 112.191 114.554 0.111 0.000 3.163 69 T HA 0.363 4.712 4.350 -0.002 0.000 0.252 69 T C 0.195 174.916 174.700 0.036 0.000 1.056 69 T CA 0.103 62.239 62.100 0.060 0.000 0.947 69 T CB 0.575 69.452 68.868 0.015 0.000 1.016 69 T HN 0.501 nan 8.240 nan 0.000 0.554 70 K N 0.228 120.672 120.400 0.074 0.000 2.561 70 K HA 0.634 4.953 4.320 -0.002 0.000 0.254 70 K C -2.154 174.472 176.600 0.042 0.000 0.942 70 K CA -0.666 55.646 56.287 0.042 0.000 0.818 70 K CB 2.048 34.570 32.500 0.036 0.000 1.306 70 K HN 0.146 nan 8.250 nan 0.000 0.435 71 A N 2.662 125.468 122.820 -0.024 0.000 2.449 71 A HA 0.690 5.008 4.320 -0.002 0.000 0.302 71 A C -1.547 176.115 177.584 0.130 0.000 1.048 71 A CA -0.655 51.386 52.037 0.006 0.000 0.708 71 A CB 1.867 20.683 19.000 -0.307 0.000 1.274 71 A HN 0.299 nan 8.150 nan 0.000 0.410 72 V N 2.688 122.734 119.914 0.219 0.000 2.443 72 V HA 0.688 4.807 4.120 -0.002 0.000 0.293 72 V C -1.165 175.120 176.094 0.317 0.000 1.021 72 V CA -0.361 62.045 62.300 0.176 0.000 0.848 72 V CB 0.542 32.423 31.823 0.098 0.000 0.998 72 V HN 0.853 nan 8.190 nan 0.000 0.424 73 F N 4.642 124.672 119.950 0.134 0.000 2.578 73 F HA 0.938 5.463 4.527 -0.002 0.000 0.311 73 F C -3.018 172.899 175.800 0.195 0.000 1.094 73 F CA -3.256 54.837 58.000 0.155 0.000 0.923 73 F CB 1.836 40.944 39.000 0.179 0.000 1.230 73 F HN 0.259 nan 8.300 nan 0.000 0.450 74 P HA 0.149 nan 4.420 nan 0.000 0.286 74 P C -0.892 176.542 177.300 0.223 0.000 1.261 74 P CA -0.410 62.780 63.100 0.149 0.000 0.821 74 P CB 2.128 33.870 31.700 0.069 0.000 1.013 75 L N 3.430 124.792 121.223 0.231 0.000 2.456 75 L HA 0.122 4.461 4.340 -0.002 0.000 0.277 75 L C 0.214 177.159 176.870 0.126 0.000 1.124 75 L CA 0.987 55.970 54.840 0.239 0.000 0.880 75 L CB -0.587 41.647 42.059 0.292 0.000 1.192 75 L HN 0.573 nan 8.230 nan 0.000 0.463 76 S N 3.646 119.408 115.700 0.104 0.000 2.855 76 S HA 0.404 4.873 4.470 -0.002 0.000 0.308 76 S C 0.470 175.094 174.600 0.041 0.000 1.077 76 S CA -0.694 57.544 58.200 0.063 0.000 0.896 76 S CB 1.401 64.638 63.200 0.063 0.000 1.339 76 S HN 0.668 nan 8.310 nan 0.000 0.602 77 N N -0.858 117.858 118.700 0.027 0.000 2.187 77 N HA 0.334 5.072 4.740 -0.002 0.000 0.212 77 N C -0.009 175.507 175.510 0.011 0.000 1.152 77 N CA -0.155 52.904 53.050 0.015 0.000 0.872 77 N CB 0.513 39.007 38.487 0.011 0.000 1.025 77 N HN 0.769 nan 8.380 nan 0.000 0.514 78 G N -0.726 108.084 108.800 0.016 0.000 2.612 78 G HA2 0.266 4.225 3.960 -0.002 0.000 0.298 78 G HA3 0.266 4.225 3.960 -0.002 0.000 0.298 78 G C -1.367 173.540 174.900 0.011 0.000 1.336 78 G CA -0.368 44.738 45.100 0.010 0.000 0.953 78 G HN -0.001 nan 8.290 nan 0.000 0.482 79 S N 0.383 116.082 115.700 -0.002 0.000 2.405 79 S HA 0.457 4.926 4.470 -0.002 0.000 0.291 79 S C 1.217 175.813 174.600 -0.006 0.000 1.137 79 S CA 0.000 58.193 58.200 -0.012 0.000 1.061 79 S CB -0.376 62.807 63.200 -0.028 0.000 1.001 79 S HN 1.056 nan 8.310 nan 0.000 0.507 80 S N 4.879 120.583 115.700 0.006 0.000 2.298 80 S HA 0.639 5.107 4.470 -0.002 0.000 0.245 80 S C 1.154 175.751 174.600 -0.006 0.000 1.230 80 S CA -0.231 57.978 58.200 0.015 0.000 1.009 80 S CB -0.786 62.442 63.200 0.048 0.000 1.019 80 S HN 0.794 nan 8.310 nan 0.000 0.459 81 G N -0.154 108.650 108.800 0.007 0.000 2.624 81 G HA2 0.464 4.422 3.960 -0.002 0.000 0.217 81 G HA3 0.464 4.422 3.960 -0.002 0.000 0.217 81 G C 0.497 175.374 174.900 -0.038 0.000 1.506 81 G CA -0.542 44.553 45.100 -0.008 0.000 1.072 81 G HN 1.066 nan 8.290 nan 0.000 0.568 82 G N -1.441 107.341 108.800 -0.030 0.000 2.195 82 G HA2 0.286 4.245 3.960 -0.002 0.000 0.264 82 G HA3 0.286 4.245 3.960 -0.002 0.000 0.264 82 G C -0.458 174.433 174.900 -0.015 0.000 1.148 82 G CA 0.221 45.267 45.100 -0.090 0.000 1.023 82 G HN 0.714 nan 8.290 nan 0.000 0.429 83 W N 0.104 121.241 121.300 -0.271 0.000 3.082 83 W HA -0.069 4.590 4.660 -0.002 0.000 0.457 83 W C 0.549 176.592 176.519 -0.793 0.000 1.844 83 W CA 0.519 57.471 57.345 -0.656 0.000 0.460 83 W CB -1.477 27.579 29.460 -0.674 0.000 2.859 83 W HN 1.171 nan 8.180 nan 0.000 0.419 84 S N 1.247 116.637 115.700 -0.517 0.000 2.607 84 S HA 0.990 5.459 4.470 -0.002 0.000 0.273 84 S C -0.733 173.871 174.600 0.006 0.000 1.148 84 S CA -0.753 57.357 58.200 -0.148 0.000 0.833 84 S CB 2.413 65.580 63.200 -0.056 0.000 1.130 84 S HN 1.468 nan 8.310 nan 0.000 0.470 85 A N 1.034 123.977 122.820 0.205 0.000 2.375 85 A HA 0.743 5.062 4.320 -0.002 0.000 0.295 85 A C -1.185 176.410 177.584 0.018 0.000 1.066 85 A CA -0.713 51.348 52.037 0.040 0.000 0.722 85 A CB 1.405 20.369 19.000 -0.060 0.000 1.206 85 A HN 1.090 nan 8.150 nan 0.000 0.435 86 V N 3.031 122.917 119.914 -0.047 0.000 2.448 86 V HA 0.381 4.500 4.120 -0.002 0.000 0.295 86 V C -0.416 175.663 176.094 -0.025 0.000 1.025 86 V CA -0.584 61.704 62.300 -0.021 0.000 0.859 86 V CB 1.519 33.323 31.823 -0.031 0.000 0.988 86 V HN 0.828 nan 8.190 nan 0.000 0.431 87 L N 5.146 126.370 121.223 0.002 0.000 2.342 87 L HA 0.322 4.660 4.340 -0.002 0.000 0.285 87 L C 1.152 178.016 176.870 -0.009 0.000 1.095 87 L CA 0.820 55.661 54.840 0.002 0.000 0.843 87 L CB 0.772 42.842 42.059 0.019 0.000 1.201 87 L HN 0.733 nan 8.230 nan 0.000 0.445 88 Q N 3.994 123.782 119.800 -0.021 0.000 2.212 88 Q HA 0.367 4.706 4.340 -0.002 0.000 0.199 88 Q C 0.121 176.110 176.000 -0.019 0.000 0.950 88 Q CA 0.842 56.632 55.803 -0.021 0.000 0.863 88 Q CB 0.292 29.012 28.738 -0.029 0.000 0.944 88 Q HN 0.795 nan 8.270 nan 0.000 0.465 89 A N -0.201 122.607 122.820 -0.020 0.000 2.597 89 A HA 0.577 4.896 4.320 -0.002 0.000 0.292 89 A C -1.297 176.277 177.584 -0.017 0.000 1.057 89 A CA -0.602 51.423 52.037 -0.019 0.000 0.674 89 A CB 1.832 20.817 19.000 -0.025 0.000 1.278 89 A HN -0.072 nan 8.150 nan 0.000 0.416 90 S N 0.864 116.555 115.700 -0.014 0.000 2.774 90 S HA 0.467 4.936 4.470 -0.002 0.000 0.297 90 S C -0.835 173.756 174.600 -0.015 0.000 1.143 90 S CA -0.474 57.718 58.200 -0.013 0.000 1.090 90 S CB 0.491 63.687 63.200 -0.008 0.000 1.019 90 S HN 0.600 nan 8.310 nan 0.000 0.482 91 N N 2.022 120.712 118.700 -0.018 0.000 2.443 91 N HA 0.547 5.285 4.740 -0.002 0.000 0.269 91 N C 0.784 176.284 175.510 -0.017 0.000 0.985 91 N CA -0.399 52.641 53.050 -0.018 0.000 0.921 91 N CB 1.682 40.156 38.487 -0.022 0.000 1.195 91 N HN 0.717 nan 8.380 nan 0.000 0.492 92 G N 2.932 111.723 108.800 -0.014 0.000 2.634 92 G HA2 -0.398 3.561 3.960 -0.002 0.000 0.318 92 G HA3 -0.398 3.561 3.960 -0.002 0.000 0.318 92 G C 0.380 175.272 174.900 -0.013 0.000 1.207 92 G CA 0.247 45.339 45.100 -0.013 0.000 0.987 92 G HN 0.619 nan 8.290 nan 0.000 0.547 93 N N 1.359 120.050 118.700 -0.015 0.000 2.214 93 N HA 0.206 4.945 4.740 -0.002 0.000 0.214 93 N C -0.081 175.417 175.510 -0.020 0.000 1.132 93 N CA 0.700 53.740 53.050 -0.016 0.000 0.856 93 N CB 0.786 39.263 38.487 -0.016 0.000 1.020 93 N HN 0.465 nan 8.380 nan 0.000 0.509 94 T N 1.789 116.330 114.554 -0.022 0.000 2.743 94 T HA 0.429 4.778 4.350 -0.002 0.000 0.292 94 T C 0.363 175.048 174.700 -0.026 0.000 0.972 94 T CA -0.367 61.716 62.100 -0.028 0.000 0.967 94 T CB 1.238 70.087 68.868 -0.032 0.000 0.926 94 T HN -0.042 nan 8.240 nan 0.000 0.459 95 L N 3.469 124.677 121.223 -0.024 0.000 2.272 95 L HA 0.384 4.723 4.340 -0.002 0.000 0.289 95 L C 0.585 177.439 176.870 -0.027 0.000 1.032 95 L CA -0.728 54.102 54.840 -0.015 0.000 0.810 95 L CB 0.967 43.029 42.059 0.006 0.000 1.205 95 L HN 0.532 nan 8.230 nan 0.000 0.422 96 T N 5.051 119.585 114.554 -0.032 0.000 2.728 96 T HA 0.558 4.907 4.350 -0.002 0.000 0.296 96 T C 0.017 174.687 174.700 -0.048 0.000 0.940 96 T CA -0.014 62.057 62.100 -0.049 0.000 1.013 96 T CB 0.332 69.168 68.868 -0.053 0.000 0.912 96 T HN 0.279 nan 8.240 nan 0.000 0.484 97 I N 2.109 122.636 120.570 -0.071 0.000 2.509 97 I HA 0.425 4.594 4.170 -0.002 0.000 0.293 97 I C 0.176 176.192 176.117 -0.168 0.000 1.020 97 I CA -0.828 60.409 61.300 -0.105 0.000 1.088 97 I CB 2.159 40.093 38.000 -0.111 0.000 1.267 97 I HN 0.439 nan 8.210 nan 0.000 0.430 98 S N 6.578 122.173 115.700 -0.175 0.000 2.433 98 S HA 0.665 5.134 4.470 -0.002 0.000 0.310 98 S C -0.641 173.766 174.600 -0.322 0.000 1.097 98 S CA -0.478 57.593 58.200 -0.215 0.000 1.103 98 S CB 0.326 63.457 63.200 -0.115 0.000 0.992 98 S HN 0.409 nan 8.310 nan 0.000 0.469 99 I N 3.400 123.624 120.570 -0.576 0.000 2.441 99 I HA 0.467 4.636 4.170 -0.002 0.000 0.295 99 I C 0.233 176.039 176.117 -0.518 0.000 0.994 99 I CA -0.510 60.421 61.300 -0.614 0.000 1.144 99 I CB 2.082 39.536 38.000 -0.909 0.000 1.314 99 I HN 0.487 nan 8.210 nan 0.000 0.445 100 S N 3.153 118.685 115.700 -0.281 0.000 2.599 100 S HA 0.770 5.239 4.470 -0.002 0.000 0.294 100 S C -0.633 173.734 174.600 -0.388 0.000 1.094 100 S CA -0.474 57.595 58.200 -0.219 0.000 0.931 100 S CB 1.679 64.769 63.200 -0.183 0.000 1.093 100 S HN 0.735 nan 8.310 nan 0.000 0.488 101 S N 2.429 117.792 115.700 -0.562 0.000 2.634 101 S HA 0.787 5.255 4.470 -0.002 0.000 0.296 101 S C -3.181 170.957 174.600 -0.770 0.000 1.104 101 S CA -1.493 55.937 58.200 -1.284 0.000 0.920 101 S CB 1.720 63.962 63.200 -1.596 0.000 1.111 101 S HN 0.554 nan 8.310 nan 0.000 0.493 102 P HA 0.312 nan 4.420 nan 0.000 0.278 102 P C 0.444 177.607 177.300 -0.228 0.000 1.238 102 P CA -0.414 62.469 63.100 -0.362 0.000 0.794 102 P CB 1.138 32.690 31.700 -0.248 0.000 0.955 103 A N 2.621 125.372 122.820 -0.115 0.000 2.172 103 A HA -0.101 4.218 4.320 -0.002 0.000 0.216 103 A C 1.741 179.335 177.584 0.016 0.000 1.154 103 A CA 1.698 53.715 52.037 -0.033 0.000 0.701 103 A CB -1.155 17.842 19.000 -0.005 0.000 0.789 103 A HN 0.634 nan 8.150 nan 0.000 0.465 104 S N -1.033 114.668 115.700 0.002 0.000 2.572 104 S HA 0.595 5.064 4.470 -0.002 0.000 0.228 104 S C 0.687 175.323 174.600 0.060 0.000 0.963 104 S CA 0.179 58.409 58.200 0.050 0.000 0.939 104 S CB -0.383 62.846 63.200 0.049 0.000 0.804 104 S HN 0.747 nan 8.310 nan 0.000 0.480 105 A N 2.842 125.676 122.820 0.022 0.000 2.477 105 A HA 0.557 4.876 4.320 -0.002 0.000 0.246 105 A C -2.526 175.129 177.584 0.118 0.000 1.078 105 A CA -1.295 50.805 52.037 0.105 0.000 0.770 105 A CB -0.372 18.637 19.000 0.014 0.000 1.011 105 A HN 0.295 nan 8.150 nan 0.000 0.494 106 P HA 0.175 nan 4.420 nan 0.000 0.269 106 P C -0.023 177.357 177.300 0.133 0.000 1.209 106 P CA 0.103 63.280 63.100 0.129 0.000 0.776 106 P CB 0.394 32.181 31.700 0.144 0.000 0.876 107 I N -0.617 119.906 120.570 -0.079 0.000 2.970 107 I HA 0.835 5.004 4.170 -0.002 0.000 0.310 107 I C 0.665 176.805 176.117 0.039 0.000 1.010 107 I CA -0.322 60.914 61.300 -0.107 0.000 1.228 107 I CB 0.662 38.392 38.000 -0.450 0.000 1.433 107 I HN 0.606 nan 8.210 nan 0.000 0.573 108 G N 2.846 111.683 108.800 0.061 0.000 2.315 108 G HA2 0.020 3.979 3.960 -0.002 0.000 0.296 108 G HA3 0.020 3.979 3.960 -0.002 0.000 0.296 108 G C -1.110 173.802 174.900 0.020 0.000 1.289 108 G CA -1.089 44.015 45.100 0.007 0.000 0.996 108 G HN 0.823 nan 8.290 nan 0.000 0.487 109 R N -0.246 120.192 120.500 -0.103 0.000 2.265 109 R HA 0.569 4.908 4.340 -0.002 0.000 0.314 109 R C -1.017 175.121 176.300 -0.269 0.000 1.053 109 R CA -0.141 55.864 56.100 -0.157 0.000 0.931 109 R CB 0.711 30.917 30.300 -0.157 0.000 1.024 109 R HN 0.445 nan 8.270 nan 0.000 0.457 110 Y N 0.038 119.998 120.300 -0.567 0.000 2.549 110 Y HA 0.374 4.922 4.550 -0.002 0.000 0.339 110 Y C 0.527 176.120 175.900 -0.512 0.000 1.053 110 Y CA -0.567 57.162 58.100 -0.618 0.000 1.105 110 Y CB 2.458 40.279 38.460 -1.066 0.000 1.258 110 Y HN 0.427 nan 8.280 nan 0.000 0.478 111 T N 3.255 117.760 114.554 -0.082 0.000 2.885 111 T HA 0.581 4.930 4.350 -0.002 0.000 0.285 111 T C -1.117 173.711 174.700 0.213 0.000 1.019 111 T CA -0.759 61.361 62.100 0.034 0.000 1.010 111 T CB 1.118 69.992 68.868 0.011 0.000 1.022 111 T HN 0.537 nan 8.240 nan 0.000 0.466 112 M N 2.536 122.324 119.600 0.314 0.000 2.263 112 M HA 0.716 5.195 4.480 -0.002 0.000 0.295 112 M C -1.542 174.927 176.300 0.281 0.000 1.028 112 M CA -0.598 54.942 55.300 0.400 0.000 0.921 112 M CB 1.265 34.264 32.600 0.666 0.000 1.601 112 M HN 0.779 nan 8.290 nan 0.000 0.440 113 A N 3.785 126.709 122.820 0.172 0.000 2.430 113 A HA 0.927 5.246 4.320 -0.002 0.000 0.300 113 A C -2.136 175.429 177.584 -0.032 0.000 1.124 113 A CA -0.712 51.368 52.037 0.072 0.000 0.766 113 A CB 1.894 20.914 19.000 0.032 0.000 1.328 113 A HN 0.782 nan 8.150 nan 0.000 0.424 114 L N 0.130 121.284 121.223 -0.114 0.000 2.385 114 L HA 0.552 4.891 4.340 -0.002 0.000 0.273 114 L C -0.363 176.389 176.870 -0.197 0.000 0.990 114 L CA -0.056 54.618 54.840 -0.276 0.000 0.821 114 L CB 1.978 43.818 42.059 -0.365 0.000 1.279 114 L HN 0.813 nan 8.230 nan 0.000 0.412 115 Q N 4.550 124.236 119.800 -0.190 0.000 2.307 115 Q HA 0.617 4.955 4.340 -0.002 0.000 0.262 115 Q C -1.505 174.445 176.000 -0.083 0.000 0.961 115 Q CA -0.514 55.214 55.803 -0.124 0.000 0.882 115 Q CB 1.423 30.135 28.738 -0.044 0.000 1.264 115 Q HN 0.718 nan 8.270 nan 0.000 0.446 116 I N 3.950 124.440 120.570 -0.134 0.000 2.433 116 I HA 0.329 4.498 4.170 -0.002 0.000 0.292 116 I C -1.008 175.044 176.117 -0.110 0.000 1.001 116 I CA -0.729 60.541 61.300 -0.050 0.000 1.119 116 I CB 1.322 39.275 38.000 -0.078 0.000 1.289 116 I HN 0.595 nan 8.210 nan 0.000 0.438 117 F N 4.692 124.603 119.950 -0.065 0.000 2.332 117 F HA 0.449 4.975 4.527 -0.002 0.000 0.368 117 F C 0.446 176.223 175.800 -0.038 0.000 1.110 117 F CA -0.330 57.643 58.000 -0.045 0.000 1.087 117 F CB 1.496 40.474 39.000 -0.037 0.000 1.235 117 F HN 0.341 nan 8.300 nan 0.000 0.470 118 S N 2.817 118.559 115.700 0.069 0.000 2.543 118 S HA 0.298 4.767 4.470 -0.002 0.000 0.271 118 S C -0.610 174.000 174.600 0.016 0.000 1.148 118 S CA -0.534 57.691 58.200 0.041 0.000 0.914 118 S CB 1.218 64.425 63.200 0.013 0.000 1.096 118 S HN 0.714 nan 8.310 nan 0.000 0.471 119 Q N 2.276 122.089 119.800 0.021 0.000 2.434 119 Q HA -0.223 4.116 4.340 -0.002 0.000 0.299 119 Q C 0.934 176.938 176.000 0.008 0.000 1.286 119 Q CA 1.142 56.951 55.803 0.010 0.000 0.872 119 Q CB -1.880 26.858 28.738 -0.001 0.000 1.193 119 Q HN 1.832 nan 8.270 nan 0.000 0.466 120 G N -2.685 106.129 108.800 0.022 0.000 2.159 120 G HA2 -0.253 3.705 3.960 -0.002 0.000 0.256 120 G HA3 -0.253 3.705 3.960 -0.002 0.000 0.256 120 G C 0.284 175.182 174.900 -0.004 0.000 0.977 120 G CA 0.143 45.254 45.100 0.019 0.000 0.652 120 G HN 0.927 nan 8.290 nan 0.000 0.531 121 G N -1.104 107.679 108.800 -0.029 0.000 3.042 121 G HA2 0.776 4.734 3.960 -0.002 0.000 0.278 121 G HA3 0.776 4.734 3.960 -0.002 0.000 0.278 121 G C -0.943 173.851 174.900 -0.177 0.000 1.371 121 G CA -0.988 44.063 45.100 -0.081 0.000 1.009 121 G HN 0.699 nan 8.290 nan 0.000 0.523 122 I N 1.125 121.552 120.570 -0.240 0.000 2.512 122 I HA 0.375 4.544 4.170 -0.002 0.000 0.287 122 I C -0.054 175.904 176.117 -0.265 0.000 1.069 122 I CA -0.662 60.394 61.300 -0.407 0.000 1.056 122 I CB 2.325 40.001 38.000 -0.540 0.000 1.229 122 I HN 0.588 nan 8.210 nan 0.000 0.429 123 S N 3.635 119.191 115.700 -0.239 0.000 2.648 123 S HA 0.817 5.286 4.470 -0.002 0.000 0.305 123 S C -0.615 173.891 174.600 -0.157 0.000 1.094 123 S CA -0.697 57.408 58.200 -0.157 0.000 0.983 123 S CB 2.240 65.372 63.200 -0.114 0.000 1.101 123 S HN 0.540 nan 8.310 nan 0.000 0.514 124 S N -0.052 115.580 115.700 -0.113 0.000 2.536 124 S HA 0.719 5.188 4.470 -0.002 0.000 0.271 124 S C -1.691 172.869 174.600 -0.066 0.000 1.134 124 S CA -0.493 57.649 58.200 -0.098 0.000 0.897 124 S CB 1.407 64.553 63.200 -0.090 0.000 1.094 124 S HN 1.631 nan 8.310 nan 0.000 0.473 125 V N 4.882 124.761 119.914 -0.058 0.000 2.891 125 V HA 0.604 4.722 4.120 -0.002 0.000 0.304 125 V C -0.929 175.165 176.094 0.000 0.000 1.171 125 V CA -0.813 61.471 62.300 -0.028 0.000 0.943 125 V CB 1.911 33.716 31.823 -0.030 0.000 1.037 125 V HN 0.982 nan 8.190 nan 0.000 0.427 126 K N 5.094 125.512 120.400 0.030 0.000 2.322 126 K HA 0.399 4.718 4.320 -0.002 0.000 0.283 126 K C 0.183 176.856 176.600 0.121 0.000 1.042 126 K CA -0.340 55.991 56.287 0.074 0.000 0.958 126 K CB 1.203 33.744 32.500 0.068 0.000 0.984 126 K HN 0.806 nan 8.250 nan 0.000 0.473 127 L N 2.633 123.977 121.223 0.202 0.000 2.121 127 L HA 0.248 4.587 4.340 -0.002 0.000 0.200 127 L C 1.245 178.404 176.870 0.482 0.000 1.077 127 L CA 0.850 55.876 54.840 0.310 0.000 0.766 127 L CB 0.009 42.286 42.059 0.362 0.000 0.931 127 L HN 0.964 nan 8.230 nan 0.000 0.452 128 G N -1.223 107.871 108.800 0.491 0.000 2.348 128 G HA2 0.398 4.357 3.960 -0.002 0.000 0.296 128 G HA3 0.398 4.357 3.960 -0.002 0.000 0.296 128 G C -1.375 173.612 174.900 0.145 0.000 1.258 128 G CA 0.167 45.453 45.100 0.309 0.000 0.868 128 G HN 0.052 nan 8.290 nan 0.000 0.488 129 T N -1.970 112.554 114.554 -0.050 0.000 2.916 129 T HA 0.886 5.234 4.350 -0.002 0.000 0.292 129 T C -0.765 173.880 174.700 -0.092 0.000 1.064 129 T CA -0.481 61.584 62.100 -0.058 0.000 1.011 129 T CB 2.070 70.880 68.868 -0.096 0.000 1.152 129 T HN 1.864 nan 8.240 nan 0.000 0.510 130 F N -1.141 118.693 119.950 -0.192 0.000 2.741 130 F HA 0.807 5.333 4.527 -0.002 0.000 0.313 130 F C -1.998 173.741 175.800 -0.103 0.000 1.153 130 F CA -1.844 56.012 58.000 -0.240 0.000 0.931 130 F CB 0.925 39.721 39.000 -0.341 0.000 1.335 130 F HN 0.602 nan 8.300 nan 0.000 0.460 131 I N 2.913 123.483 120.570 0.000 0.000 2.404 131 I HA 0.417 4.586 4.170 -0.002 0.000 0.293 131 I C -1.062 175.090 176.117 0.058 0.000 0.992 131 I CA -0.820 60.454 61.300 -0.042 0.000 1.149 131 I CB 1.874 39.819 38.000 -0.092 0.000 1.315 131 I HN 0.518 nan 8.210 nan 0.000 0.446 132 L N 7.215 128.478 121.223 0.066 0.000 2.313 132 L HA 0.595 4.934 4.340 -0.002 0.000 0.283 132 L C -0.744 176.130 176.870 0.007 0.000 1.013 132 L CA -0.518 54.358 54.840 0.060 0.000 0.816 132 L CB 1.535 43.606 42.059 0.019 0.000 1.236 132 L HN 0.539 nan 8.230 nan 0.000 0.419 133 L N 2.405 123.635 121.223 0.011 0.000 2.260 133 L HA 0.524 4.862 4.340 -0.002 0.000 0.265 133 L C -0.658 176.214 176.870 0.002 0.000 1.015 133 L CA -0.908 53.934 54.840 0.003 0.000 0.826 133 L CB 1.555 43.695 42.059 0.134 0.000 1.373 133 L HN 0.279 nan 8.230 nan 0.000 0.450 134 F N 0.451 120.509 119.950 0.180 0.000 2.450 134 F HA 0.128 4.654 4.527 -0.002 0.000 0.339 134 F C 0.816 176.768 175.800 0.254 0.000 1.146 134 F CA 0.051 58.163 58.000 0.187 0.000 1.267 134 F CB 0.217 39.322 39.000 0.175 0.000 1.178 134 F HN 0.310 nan 8.300 nan 0.000 0.585 135 N N 3.400 122.378 118.700 0.463 0.000 2.800 135 N HA 0.300 5.039 4.740 -0.002 0.000 0.240 135 N C -2.350 173.446 175.510 0.476 0.000 1.096 135 N CA -2.026 51.297 53.050 0.456 0.000 0.877 135 N CB 1.165 39.843 38.487 0.317 0.000 1.138 135 N HN 0.104 nan 8.380 nan 0.000 0.509 136 P HA 0.057 nan 4.420 nan 0.000 0.234 136 P C 0.927 178.295 177.300 0.113 0.000 1.167 136 P CA 0.604 63.814 63.100 0.183 0.000 0.763 136 P CB 0.175 31.819 31.700 -0.093 0.000 0.835 137 W N -1.345 120.086 121.300 0.218 0.000 2.704 137 W HA 0.204 4.862 4.660 -0.002 0.000 0.266 137 W C 0.627 177.354 176.519 0.347 0.000 1.266 137 W CA -0.053 57.419 57.345 0.213 0.000 1.377 137 W CB 0.082 29.574 29.460 0.053 0.000 1.082 137 W HN -0.107 nan 8.180 nan 0.000 0.608 138 L N 3.845 125.365 121.223 0.495 0.000 2.313 138 L HA -0.015 4.324 4.340 -0.002 0.000 0.282 138 L C 1.548 178.380 176.870 -0.063 0.000 1.092 138 L CA -0.018 54.945 54.840 0.205 0.000 0.831 138 L CB 0.810 42.962 42.059 0.156 0.000 1.159 138 L HN 0.035 nan 8.230 nan 0.000 0.442 139 N N 4.381 122.714 118.700 -0.611 0.000 2.205 139 N HA -0.181 4.558 4.740 -0.002 0.000 0.186 139 N C 1.148 176.312 175.510 -0.576 0.000 1.015 139 N CA 1.928 54.136 53.050 -1.405 0.000 0.862 139 N CB -0.598 37.308 38.487 -0.969 0.000 0.986 139 N HN 0.525 nan 8.380 nan 0.000 0.429 140 V N -3.028 116.737 119.914 -0.247 0.000 3.306 140 V HA 0.053 4.172 4.120 -0.002 0.000 0.264 140 V C 0.702 176.797 176.094 0.002 0.000 1.149 140 V CA 0.309 62.550 62.300 -0.099 0.000 1.143 140 V CB -0.837 30.946 31.823 -0.067 0.000 0.767 140 V HN 0.008 nan 8.190 nan 0.000 0.476 141 D N 1.715 122.152 120.400 0.063 0.000 2.389 141 D HA 0.088 4.727 4.640 -0.002 0.000 0.247 141 D C 1.586 178.003 176.300 0.196 0.000 1.128 141 D CA 0.989 55.087 54.000 0.164 0.000 0.884 141 D CB 1.996 42.944 40.800 0.248 0.000 1.194 141 D HN 0.408 nan 8.370 nan 0.000 0.441 142 S N 1.833 117.631 115.700 0.162 0.000 2.419 142 S HA -0.186 4.283 4.470 -0.002 0.000 0.235 142 S C 1.754 176.443 174.600 0.148 0.000 1.019 142 S CA 1.187 59.464 58.200 0.128 0.000 0.982 142 S CB -0.552 62.698 63.200 0.082 0.000 0.789 142 S HN 0.459 nan 8.310 nan 0.000 0.490 143 V N -1.984 118.039 119.914 0.182 0.000 3.577 143 V HA 0.439 4.557 4.120 -0.002 0.000 0.294 143 V C 0.504 176.784 176.094 0.309 0.000 1.317 143 V CA -0.942 61.480 62.300 0.204 0.000 1.169 143 V CB -1.804 30.075 31.823 0.092 0.000 1.011 143 V HN 0.330 nan 8.190 nan 0.000 0.426 144 F N 2.449 122.500 119.950 0.168 0.000 2.623 144 F HA 0.376 4.901 4.527 -0.002 0.000 0.383 144 F C 0.134 176.083 175.800 0.248 0.000 1.077 144 F CA -0.084 58.011 58.000 0.158 0.000 1.268 144 F CB 0.577 39.647 39.000 0.118 0.000 1.053 144 F HN 0.258 nan 8.300 nan 0.000 0.571 145 M N 6.939 126.028 119.600 -0.853 0.000 2.060 145 M HA 0.314 4.793 4.480 -0.002 0.000 0.275 145 M C 0.647 176.217 176.300 -1.217 0.000 0.919 145 M CA -0.213 54.546 55.300 -0.903 0.000 0.970 145 M CB 1.226 33.387 32.600 -0.732 0.000 1.670 145 M HN 0.768 nan 8.290 nan 0.000 0.440 146 G N 3.453 111.497 108.800 -1.260 0.000 2.422 146 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.218 146 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.218 146 G C 0.627 175.342 174.900 -0.308 0.000 1.146 146 G CA 0.158 44.868 45.100 -0.650 0.000 0.769 146 G HN 0.698 nan 8.290 nan 0.000 0.547 147 N N -0.154 118.353 118.700 -0.323 0.000 2.497 147 N HA 0.012 4.751 4.740 -0.002 0.000 0.271 147 N C 1.036 176.412 175.510 -0.223 0.000 1.142 147 N CA -0.215 52.712 53.050 -0.205 0.000 0.965 147 N CB 0.987 39.356 38.487 -0.196 0.000 1.077 147 N HN 0.244 nan 8.380 nan 0.000 0.462 148 H N 4.254 123.215 119.070 -0.182 0.000 2.270 148 H HA -0.036 4.519 4.556 -0.002 0.000 0.299 148 H C 1.775 176.997 175.328 -0.176 0.000 1.077 148 H CA 2.686 58.636 56.048 -0.164 0.000 1.294 148 H CB -0.135 29.582 29.762 -0.075 0.000 1.371 148 H HN 0.729 nan 8.280 nan 0.000 0.491 149 A N 0.676 123.345 122.820 -0.252 0.000 1.908 149 A HA -0.221 4.098 4.320 -0.002 0.000 0.218 149 A C 2.250 179.608 177.584 -0.377 0.000 1.181 149 A CA 2.001 53.868 52.037 -0.283 0.000 0.627 149 A CB -0.552 18.374 19.000 -0.124 0.000 0.818 149 A HN 0.729 nan 8.150 nan 0.000 0.445 150 E N -0.883 119.097 120.200 -0.366 0.000 2.028 150 E HA -0.191 4.158 4.350 -0.002 0.000 0.191 150 E C 2.329 178.618 176.600 -0.518 0.000 0.988 150 E CA 1.056 57.170 56.400 -0.477 0.000 0.799 150 E CB -0.259 29.274 29.700 -0.278 0.000 0.755 150 E HN 0.588 nan 8.360 nan 0.000 0.447 151 R N 1.060 121.284 120.500 -0.458 0.000 2.105 151 R HA -0.191 4.148 4.340 -0.002 0.000 0.239 151 R C 1.944 178.002 176.300 -0.403 0.000 1.135 151 R CA 1.274 57.086 56.100 -0.480 0.000 0.967 151 R CB 0.043 29.926 30.300 -0.695 0.000 0.861 151 R HN 0.125 nan 8.270 nan 0.000 0.442 152 E N 0.435 120.378 120.200 -0.429 0.000 2.072 152 E HA -0.213 4.135 4.350 -0.002 0.000 0.191 152 E C 1.797 178.282 176.600 -0.192 0.000 0.985 152 E CA 1.333 57.567 56.400 -0.277 0.000 0.801 152 E CB -0.067 29.427 29.700 -0.342 0.000 0.750 152 E HN 0.400 nan 8.360 nan 0.000 0.452 153 E N 0.026 120.029 120.200 -0.328 0.000 2.046 153 E HA -0.151 4.198 4.350 -0.002 0.000 0.190 153 E C 1.429 177.913 176.600 -0.192 0.000 0.982 153 E CA 1.022 57.229 56.400 -0.321 0.000 0.800 153 E CB -0.233 29.111 29.700 -0.592 0.000 0.756 153 E HN 0.221 nan 8.360 nan 0.000 0.449 154 Y N -0.826 119.443 120.300 -0.051 0.000 2.529 154 Y HA 0.175 4.723 4.550 -0.002 0.000 0.290 154 Y C 1.470 177.352 175.900 -0.030 0.000 1.177 154 Y CA 0.068 58.156 58.100 -0.020 0.000 1.305 154 Y CB 0.354 38.841 38.460 0.045 0.000 1.047 154 Y HN -0.012 nan 8.280 nan 0.000 0.522 155 V N -1.878 118.083 119.914 0.078 0.000 3.177 155 V HA -0.011 4.107 4.120 -0.002 0.000 0.219 155 V C 1.577 177.783 176.094 0.187 0.000 1.344 155 V CA 0.314 62.681 62.300 0.112 0.000 1.324 155 V CB 0.101 31.964 31.823 0.066 0.000 1.165 155 V HN -0.004 nan 8.190 nan 0.000 0.510 156 Q N 0.515 120.441 119.800 0.210 0.000 2.425 156 Q HA 0.115 4.454 4.340 -0.002 0.000 0.204 156 Q C 0.637 176.854 176.000 0.361 0.000 0.933 156 Q CA 0.259 56.283 55.803 0.369 0.000 0.939 156 Q CB 0.222 29.109 28.738 0.250 0.000 1.044 156 Q HN 0.571 nan 8.270 nan 0.000 0.513 157 E N 2.636 122.960 120.200 0.207 0.000 2.259 157 E HA 0.006 4.355 4.350 -0.002 0.000 0.281 157 E C -0.047 176.720 176.600 0.278 0.000 1.037 157 E CA -0.104 56.426 56.400 0.216 0.000 0.854 157 E CB 0.640 30.424 29.700 0.140 0.000 1.051 157 E HN 0.076 nan 8.360 nan 0.000 0.409 158 D N 2.823 123.424 120.400 0.335 0.000 2.395 158 D HA 0.176 4.815 4.640 -0.002 0.000 0.213 158 D C -0.298 176.209 176.300 0.345 0.000 1.110 158 D CA -0.311 53.886 54.000 0.330 0.000 0.835 158 D CB 0.257 41.239 40.800 0.304 0.000 0.965 158 D HN 0.246 nan 8.370 nan 0.000 0.505 159 A N -0.100 122.898 122.820 0.296 0.000 2.355 159 A HA 0.773 5.092 4.320 -0.002 0.000 0.317 159 A C 0.121 177.806 177.584 0.168 0.000 1.094 159 A CA -0.221 51.895 52.037 0.131 0.000 0.764 159 A CB 1.904 20.948 19.000 0.074 0.000 1.230 159 A HN 0.231 nan 8.150 nan 0.000 0.448 160 G N -0.091 108.671 108.800 -0.064 0.000 2.766 160 G HA2 0.635 4.594 3.960 -0.002 0.000 0.288 160 G HA3 0.635 4.594 3.960 -0.002 0.000 0.288 160 G C -1.834 173.027 174.900 -0.065 0.000 1.408 160 G CA -0.486 44.640 45.100 0.043 0.000 0.852 160 G HN 0.557 nan 8.290 nan 0.000 0.487 161 I N -0.058 120.490 120.570 -0.037 0.000 2.582 161 I HA 0.528 4.697 4.170 -0.002 0.000 0.292 161 I C -0.583 175.375 176.117 -0.265 0.000 1.066 161 I CA -0.688 60.489 61.300 -0.207 0.000 1.053 161 I CB 2.077 39.893 38.000 -0.306 0.000 1.241 161 I HN 0.321 nan 8.210 nan 0.000 0.421 162 I N 6.011 126.365 120.570 -0.360 0.000 2.447 162 I HA 0.368 4.537 4.170 -0.002 0.000 0.287 162 I C -0.934 174.891 176.117 -0.487 0.000 1.023 162 I CA -0.601 60.516 61.300 -0.306 0.000 1.083 162 I CB 1.203 39.089 38.000 -0.189 0.000 1.245 162 I HN 0.252 nan 8.210 nan 0.000 0.434 163 F N 6.261 126.106 119.950 -0.176 0.000 2.443 163 F HA 0.474 5.000 4.527 -0.002 0.000 0.353 163 F C 0.682 176.231 175.800 -0.419 0.000 1.101 163 F CA -0.227 57.666 58.000 -0.178 0.000 1.226 163 F CB 0.999 39.993 39.000 -0.010 0.000 1.140 163 F HN 0.220 nan 8.300 nan 0.000 0.557 164 V N -0.544 119.178 119.914 -0.319 0.000 3.069 164 V HA 1.045 5.164 4.120 -0.002 0.000 0.312 164 V C 0.175 176.093 176.094 -0.293 0.000 1.369 164 V CA -0.242 61.505 62.300 -0.922 0.000 1.047 164 V CB 1.057 32.292 31.823 -0.981 0.000 1.098 164 V HN 1.289 nan 8.190 nan 0.000 0.473 165 G N 0.402 109.060 108.800 -0.236 0.000 2.709 165 G HA2 0.307 4.266 3.960 -0.002 0.000 0.228 165 G HA3 0.307 4.266 3.960 -0.002 0.000 0.228 165 G C 0.098 175.281 174.900 0.471 0.000 1.215 165 G CA 0.473 45.675 45.100 0.170 0.000 1.003 165 G HN 2.717 nan 8.290 nan 0.000 0.584 166 S N -3.337 112.605 115.700 0.403 0.000 2.727 166 S HA 0.664 5.133 4.470 -0.002 0.000 0.278 166 S C 0.624 175.316 174.600 0.154 0.000 1.186 166 S CA 0.893 59.364 58.200 0.452 0.000 0.836 166 S CB 1.132 64.523 63.200 0.319 0.000 1.186 166 S HN 1.305 nan 8.310 nan 0.000 0.499 167 T N 1.678 116.359 114.554 0.212 0.000 3.051 167 T HA 0.071 4.420 4.350 -0.002 0.000 0.269 167 T C 1.035 175.779 174.700 0.073 0.000 1.127 167 T CA 1.033 63.225 62.100 0.153 0.000 1.107 167 T CB -0.599 68.414 68.868 0.241 0.000 0.898 167 T HN 0.547 nan 8.240 nan 0.000 0.517 168 N N 0.915 119.648 118.700 0.054 0.000 2.356 168 N HA 0.125 4.863 4.740 -0.002 0.000 0.178 168 N C 0.314 175.803 175.510 -0.035 0.000 1.075 168 N CA 0.353 53.415 53.050 0.019 0.000 0.889 168 N CB 0.646 39.163 38.487 0.051 0.000 0.999 168 N HN 0.297 nan 8.380 nan 0.000 0.464 169 R N 0.603 121.074 120.500 -0.049 0.000 3.039 169 R HA 0.350 4.689 4.340 -0.002 0.000 0.264 169 R C -1.086 175.161 176.300 -0.088 0.000 1.708 169 R CA -0.255 55.804 56.100 -0.067 0.000 1.134 169 R CB 1.176 31.468 30.300 -0.013 0.000 1.386 169 R HN -0.028 nan 8.270 nan 0.000 0.477 170 I N 2.302 122.752 120.570 -0.200 0.000 2.379 170 I HA 0.246 4.414 4.170 -0.002 0.000 0.290 170 I C 1.052 177.146 176.117 -0.039 0.000 1.063 170 I CA 0.208 61.394 61.300 -0.191 0.000 1.351 170 I CB 1.151 38.911 38.000 -0.401 0.000 1.410 170 I HN 0.605 nan 8.210 nan 0.000 0.505 171 G N 6.618 115.425 108.800 0.011 0.000 2.887 171 G HA2 0.881 4.839 3.960 -0.002 0.000 0.277 171 G HA3 0.881 4.839 3.960 -0.002 0.000 0.277 171 G C -0.770 174.095 174.900 -0.058 0.000 1.346 171 G CA -0.770 44.314 45.100 -0.028 0.000 1.058 171 G HN 0.609 nan 8.290 nan 0.000 0.535 172 M N -1.165 118.333 119.600 -0.170 0.000 2.644 172 M HA 0.772 5.250 4.480 -0.002 0.000 0.273 172 M C -1.482 174.643 176.300 -0.292 0.000 1.253 172 M CA -1.004 54.096 55.300 -0.333 0.000 0.852 172 M CB 2.502 34.823 32.600 -0.465 0.000 1.708 172 M HN 0.644 nan 8.290 nan 0.000 0.471 173 I N -0.723 119.653 120.570 -0.323 0.000 2.656 173 I HA 0.864 5.033 4.170 -0.002 0.000 0.292 173 I C -0.230 175.801 176.117 -0.143 0.000 1.144 173 I CA -0.910 60.261 61.300 -0.214 0.000 1.038 173 I CB 2.127 39.984 38.000 -0.238 0.000 1.244 173 I HN 0.886 nan 8.210 nan 0.000 0.420 174 G N 4.487 113.234 108.800 -0.088 0.000 2.483 174 G HA2 0.284 4.242 3.960 -0.002 0.000 0.248 174 G HA3 0.284 4.242 3.960 -0.002 0.000 0.248 174 G C -1.523 173.391 174.900 0.024 0.000 1.248 174 G CA -0.349 44.711 45.100 -0.066 0.000 0.838 174 G HN 0.775 nan 8.290 nan 0.000 0.566 175 W N 2.769 123.898 121.300 -0.285 0.000 2.900 175 W HA 0.309 4.968 4.660 -0.002 0.000 0.336 175 W C -1.110 175.116 176.519 -0.489 0.000 1.064 175 W CA -1.012 56.114 57.345 -0.364 0.000 1.237 175 W CB 2.083 31.255 29.460 -0.481 0.000 1.391 175 W HN 0.507 nan 8.180 nan 0.000 0.468 176 N N 4.439 122.704 118.700 -0.724 0.000 2.437 176 N HA 0.176 4.915 4.740 -0.002 0.000 0.243 176 N C 0.299 175.632 175.510 -0.295 0.000 1.041 176 N CA -0.024 52.776 53.050 -0.417 0.000 0.940 176 N CB 0.088 38.384 38.487 -0.319 0.000 1.133 176 N HN 0.312 nan 8.380 nan 0.000 0.506 177 F N 2.174 122.183 119.950 0.098 0.000 2.206 177 F HA 0.136 4.662 4.527 -0.002 0.000 0.298 177 F C 2.028 177.851 175.800 0.039 0.000 1.090 177 F CA 0.318 58.413 58.000 0.157 0.000 1.323 177 F CB -0.180 38.905 39.000 0.140 0.000 1.028 177 F HN 0.649 nan 8.300 nan 0.000 0.492 178 G N 1.715 110.625 108.800 0.184 0.000 2.421 178 G HA2 -0.340 3.619 3.960 -0.002 0.000 0.300 178 G HA3 -0.340 3.619 3.960 -0.002 0.000 0.300 178 G C 1.112 176.039 174.900 0.044 0.000 0.974 178 G CA 0.700 45.860 45.100 0.100 0.000 1.062 178 G HN 0.546 nan 8.290 nan 0.000 0.514 179 Q N -1.059 118.672 119.800 -0.116 0.000 2.364 179 Q HA -0.034 4.304 4.340 -0.002 0.000 0.207 179 Q C 1.633 177.524 176.000 -0.182 0.000 0.970 179 Q CA 1.332 57.012 55.803 -0.205 0.000 0.888 179 Q CB -0.205 28.288 28.738 -0.408 0.000 0.951 179 Q HN 0.607 nan 8.270 nan 0.000 0.469 180 F N 1.512 121.525 119.950 0.104 0.000 2.776 180 F HA 0.258 4.784 4.527 -0.002 0.000 0.300 180 F C 0.850 176.738 175.800 0.145 0.000 1.116 180 F CA -0.383 57.653 58.000 0.058 0.000 1.375 180 F CB 0.052 38.980 39.000 -0.120 0.000 1.109 180 F HN -0.118 nan 8.300 nan 0.000 0.585 181 E N 1.198 121.544 120.200 0.244 0.000 2.422 181 E HA -0.056 4.293 4.350 -0.002 0.000 0.260 181 E C 0.189 176.895 176.600 0.176 0.000 1.108 181 E CA -0.125 56.384 56.400 0.181 0.000 0.943 181 E CB 0.332 30.105 29.700 0.122 0.000 0.961 181 E HN 0.043 nan 8.360 nan 0.000 0.443 182 E N 1.222 121.503 120.200 0.135 0.000 2.558 182 E HA -0.128 4.221 4.350 -0.002 0.000 0.255 182 E C 0.068 176.726 176.600 0.097 0.000 0.968 182 E CA 0.700 57.168 56.400 0.112 0.000 0.939 182 E CB 0.017 29.766 29.700 0.082 0.000 0.921 182 E HN 0.488 nan 8.360 nan 0.000 0.477 183 D N 2.621 123.075 120.400 0.090 0.000 2.837 183 D HA -0.236 4.403 4.640 -0.002 0.000 0.195 183 D C 0.907 177.254 176.300 0.079 0.000 1.033 183 D CA 1.280 55.321 54.000 0.068 0.000 1.021 183 D CB -0.806 40.026 40.800 0.054 0.000 1.101 183 D HN 0.439 nan 8.370 nan 0.000 0.431 184 I N 0.294 120.928 120.570 0.106 0.000 2.142 184 I HA -0.188 3.981 4.170 -0.002 0.000 0.240 184 I C 2.635 178.810 176.117 0.096 0.000 1.078 184 I CA 1.005 62.370 61.300 0.108 0.000 1.343 184 I CB -1.130 36.944 38.000 0.123 0.000 1.046 184 I HN 0.256 nan 8.210 nan 0.000 0.405 185 L N 0.680 121.963 121.223 0.100 0.000 2.012 185 L HA -0.211 4.128 4.340 -0.002 0.000 0.210 185 L C 2.786 179.646 176.870 -0.016 0.000 1.073 185 L CA 2.200 57.047 54.840 0.012 0.000 0.748 185 L CB -1.009 40.936 42.059 -0.189 0.000 0.891 185 L HN 0.200 nan 8.230 nan 0.000 0.431 186 S N -0.521 115.173 115.700 -0.011 0.000 2.359 186 S HA -0.225 4.243 4.470 -0.002 0.000 0.223 186 S C 2.077 176.688 174.600 0.017 0.000 1.039 186 S CA 1.957 60.148 58.200 -0.014 0.000 1.042 186 S CB -0.523 62.673 63.200 -0.007 0.000 0.915 186 S HN 0.516 nan 8.310 nan 0.000 0.439 187 I N 0.923 121.527 120.570 0.057 0.000 2.208 187 I HA -0.229 3.940 4.170 -0.002 0.000 0.245 187 I C 2.582 178.775 176.117 0.127 0.000 1.097 187 I CA 1.124 62.493 61.300 0.115 0.000 1.363 187 I CB -0.577 37.518 38.000 0.158 0.000 1.051 187 I HN 0.431 nan 8.210 nan 0.000 0.413 188 C N 0.553 119.902 119.300 0.083 0.000 2.425 188 C HA -0.122 4.337 4.460 -0.002 0.000 0.277 188 C C 2.731 177.748 174.990 0.046 0.000 1.280 188 C CA 0.561 59.616 59.018 0.061 0.000 1.744 188 C CB -1.008 26.767 27.740 0.058 0.000 1.989 188 C HN 0.458 nan 8.230 nan 0.000 0.491 189 L N 1.470 122.707 121.223 0.023 0.000 2.093 189 L HA -0.120 4.219 4.340 -0.002 0.000 0.208 189 L C 2.773 179.632 176.870 -0.018 0.000 1.085 189 L CA 1.892 56.728 54.840 -0.006 0.000 0.755 189 L CB -0.612 41.424 42.059 -0.039 0.000 0.904 189 L HN 0.475 nan 8.230 nan 0.000 0.435 190 S N -0.060 115.643 115.700 0.005 0.000 2.419 190 S HA -0.154 4.315 4.470 -0.002 0.000 0.233 190 S C 1.911 176.535 174.600 0.041 0.000 1.016 190 S CA 0.772 58.967 58.200 -0.008 0.000 0.974 190 S CB -0.657 62.552 63.200 0.015 0.000 0.786 190 S HN 0.365 nan 8.310 nan 0.000 0.492 191 I N 1.502 122.144 120.570 0.120 0.000 2.208 191 I HA -0.194 3.975 4.170 -0.002 0.000 0.245 191 I C 2.308 178.449 176.117 0.041 0.000 1.097 191 I CA 1.377 62.760 61.300 0.139 0.000 1.363 191 I CB -0.452 37.569 38.000 0.034 0.000 1.051 191 I HN 0.322 nan 8.210 nan 0.000 0.413 192 L N 0.020 121.237 121.223 -0.010 0.000 2.191 192 L HA -0.200 4.139 4.340 -0.002 0.000 0.212 192 L C 1.239 177.989 176.870 -0.200 0.000 1.103 192 L CA 0.996 55.820 54.840 -0.026 0.000 0.769 192 L CB -0.550 41.515 42.059 0.010 0.000 0.908 192 L HN 0.263 nan 8.230 nan 0.000 0.438 193 D N -0.308 119.852 120.400 -0.400 0.000 2.325 193 D HA 0.029 4.667 4.640 -0.002 0.000 0.225 193 D C 1.505 177.465 176.300 -0.568 0.000 1.096 193 D CA 0.301 53.691 54.000 -1.016 0.000 0.844 193 D CB 0.378 40.719 40.800 -0.765 0.000 0.925 193 D HN 0.196 nan 8.370 nan 0.000 0.513 194 R N -0.173 120.240 120.500 -0.145 0.000 2.541 194 R HA 0.096 4.434 4.340 -0.002 0.000 0.332 194 R C 0.837 177.231 176.300 0.157 0.000 0.951 194 R CA -0.027 56.111 56.100 0.065 0.000 1.136 194 R CB 0.358 30.747 30.300 0.149 0.000 1.449 194 R HN 0.089 nan 8.270 nan 0.000 0.531 195 S N -0.026 115.765 115.700 0.152 0.000 2.596 195 S HA 0.156 4.624 4.470 -0.002 0.000 0.260 195 S C 1.552 176.262 174.600 0.184 0.000 1.336 195 S CA -0.385 57.906 58.200 0.153 0.000 0.993 195 S CB 0.826 64.098 63.200 0.121 0.000 0.923 195 S HN 0.128 nan 8.310 nan 0.000 0.567 196 L N 1.059 122.358 121.223 0.127 0.000 2.156 196 L HA -0.082 4.257 4.340 -0.002 0.000 0.208 196 L C 2.582 179.522 176.870 0.118 0.000 1.095 196 L CA 0.988 55.894 54.840 0.110 0.000 0.770 196 L CB -0.718 41.383 42.059 0.070 0.000 0.914 196 L HN 0.722 nan 8.230 nan 0.000 0.439 197 N N 0.021 118.799 118.700 0.131 0.000 2.084 197 N HA -0.229 4.510 4.740 -0.002 0.000 0.190 197 N C 1.926 177.548 175.510 0.188 0.000 1.030 197 N CA 1.459 54.604 53.050 0.159 0.000 0.849 197 N CB -0.304 38.305 38.487 0.204 0.000 1.012 197 N HN 0.217 nan 8.380 nan 0.000 0.423 198 F N 2.476 122.490 119.950 0.107 0.000 2.134 198 F HA -0.055 4.470 4.527 -0.002 0.000 0.299 198 F C 2.497 178.347 175.800 0.083 0.000 1.097 198 F CA 1.212 59.272 58.000 0.100 0.000 1.264 198 F CB 0.012 39.066 39.000 0.089 0.000 1.001 198 F HN -0.155 nan 8.300 nan 0.000 0.479 199 R N -0.439 120.159 120.500 0.163 0.000 2.148 199 R HA -0.079 4.259 4.340 -0.002 0.000 0.227 199 R C 2.343 178.634 176.300 -0.015 0.000 1.103 199 R CA 1.083 57.225 56.100 0.071 0.000 0.983 199 R CB -0.198 30.186 30.300 0.138 0.000 0.874 199 R HN 0.245 nan 8.270 nan 0.000 0.451 200 R N -0.111 120.389 120.500 -0.000 0.000 2.055 200 R HA -0.039 4.299 4.340 -0.002 0.000 0.226 200 R C 0.095 176.365 176.300 -0.050 0.000 1.135 200 R CA 1.227 57.322 56.100 -0.010 0.000 0.959 200 R CB 0.348 30.660 30.300 0.019 0.000 0.854 200 R HN -0.035 nan 8.270 nan 0.000 0.431 201 D N -1.272 119.085 120.400 -0.072 0.000 2.472 201 D HA 0.174 4.813 4.640 -0.002 0.000 0.248 201 D C -0.001 176.207 176.300 -0.152 0.000 1.271 201 D CA -0.030 53.912 54.000 -0.097 0.000 0.888 201 D CB 1.208 41.977 40.800 -0.051 0.000 1.337 201 D HN 0.170 nan 8.370 nan 0.000 0.526 202 A N 2.408 125.041 122.820 -0.311 0.000 1.940 202 A HA -0.035 4.284 4.320 -0.002 0.000 0.219 202 A C 2.154 179.667 177.584 -0.118 0.000 1.176 202 A CA 2.011 53.707 52.037 -0.569 0.000 0.631 202 A CB -0.264 18.198 19.000 -0.896 0.000 0.814 202 A HN 0.555 nan 8.150 nan 0.000 0.446 203 A N -0.993 121.837 122.820 0.017 0.000 1.858 203 A HA -0.105 4.214 4.320 -0.002 0.000 0.216 203 A C 2.337 179.927 177.584 0.009 0.000 1.190 203 A CA 2.367 54.448 52.037 0.074 0.000 0.617 203 A CB -1.281 17.691 19.000 -0.047 0.000 0.827 203 A HN 0.432 nan 8.150 nan 0.000 0.443 204 T N -0.501 114.036 114.554 -0.030 0.000 2.777 204 T HA -0.111 4.238 4.350 -0.002 0.000 0.266 204 T C 1.669 176.330 174.700 -0.064 0.000 1.040 204 T CA 1.570 63.643 62.100 -0.045 0.000 1.141 204 T CB -0.430 68.413 68.868 -0.042 0.000 0.868 204 T HN 0.697 nan 8.240 nan 0.000 0.444 205 D N 0.949 121.354 120.400 0.010 0.000 2.116 205 D HA -0.120 4.519 4.640 -0.002 0.000 0.193 205 D C 2.015 178.363 176.300 0.080 0.000 0.998 205 D CA 1.069 55.133 54.000 0.108 0.000 0.836 205 D CB -0.292 40.685 40.800 0.296 0.000 0.951 205 D HN 0.151 nan 8.370 nan 0.000 0.449 206 V N 0.529 120.517 119.914 0.123 0.000 2.407 206 V HA -0.186 3.933 4.120 -0.002 0.000 0.248 206 V C 2.491 178.594 176.094 0.015 0.000 1.055 206 V CA 1.700 64.060 62.300 0.100 0.000 1.049 206 V CB -0.834 31.052 31.823 0.105 0.000 0.662 206 V HN 0.393 nan 8.190 nan 0.000 0.455 207 A N -0.693 122.116 122.820 -0.019 0.000 2.015 207 A HA -0.137 4.182 4.320 -0.002 0.000 0.219 207 A C 2.351 179.876 177.584 -0.097 0.000 1.163 207 A CA 1.815 53.833 52.037 -0.032 0.000 0.646 207 A CB -0.410 18.573 19.000 -0.029 0.000 0.806 207 A HN 0.506 nan 8.150 nan 0.000 0.448 208 S N -0.554 114.997 115.700 -0.249 0.000 2.562 208 S HA 0.013 4.482 4.470 -0.002 0.000 0.221 208 S C 1.491 175.940 174.600 -0.252 0.000 0.975 208 S CA 0.129 58.029 58.200 -0.501 0.000 0.918 208 S CB -0.158 62.177 63.200 -1.442 0.000 0.772 208 S HN 0.589 nan 8.310 nan 0.000 0.531 209 R N 2.080 122.557 120.500 -0.038 0.000 2.346 209 R HA 0.035 4.373 4.340 -0.002 0.000 0.199 209 R C 1.331 177.691 176.300 0.099 0.000 1.015 209 R CA 0.758 56.928 56.100 0.117 0.000 1.058 209 R CB -0.523 29.834 30.300 0.095 0.000 0.921 209 R HN 0.679 nan 8.270 nan 0.000 0.475 210 N N -0.820 117.935 118.700 0.092 0.000 2.299 210 N HA -0.060 4.679 4.740 -0.002 0.000 0.187 210 N C -0.256 175.406 175.510 0.253 0.000 1.099 210 N CA -0.227 52.895 53.050 0.120 0.000 0.867 210 N CB 0.410 38.954 38.487 0.094 0.000 0.974 210 N HN -0.094 nan 8.380 nan 0.000 0.477 211 D N 1.320 121.860 120.400 0.233 0.000 2.414 211 D HA 0.218 4.856 4.640 -0.002 0.000 0.232 211 D C -1.611 174.752 176.300 0.104 0.000 1.070 211 D CA -2.737 51.360 54.000 0.162 0.000 0.839 211 D CB 1.807 42.664 40.800 0.096 0.000 1.079 211 D HN -0.056 nan 8.370 nan 0.000 0.521 212 P HA -0.147 nan 4.420 nan 0.000 0.222 212 P C 0.771 177.571 177.300 -0.833 0.000 1.147 212 P CA 0.844 63.478 63.100 -0.775 0.000 0.790 212 P CB 0.529 31.404 31.700 -1.375 0.000 0.780 213 K N -0.999 119.058 120.400 -0.571 0.000 2.057 213 K HA -0.160 4.159 4.320 -0.002 0.000 0.206 213 K C 2.392 178.933 176.600 -0.099 0.000 1.050 213 K CA 1.230 57.377 56.287 -0.234 0.000 0.935 213 K CB -0.669 31.864 32.500 0.056 0.000 0.715 213 K HN 0.116 nan 8.250 nan 0.000 0.439 214 Y N 1.796 122.019 120.300 -0.128 0.000 2.109 214 Y HA -0.256 4.293 4.550 -0.002 0.000 0.285 214 Y C 2.119 177.984 175.900 -0.058 0.000 1.131 214 Y CA 1.233 59.287 58.100 -0.078 0.000 1.121 214 Y CB -0.380 38.075 38.460 -0.008 0.000 0.987 214 Y HN -0.266 nan 8.280 nan 0.000 0.495 215 V N 0.311 120.299 119.914 0.124 0.000 2.332 215 V HA -0.330 3.789 4.120 -0.002 0.000 0.248 215 V C 2.587 178.654 176.094 -0.045 0.000 1.055 215 V CA 2.028 64.378 62.300 0.082 0.000 1.038 215 V CB -1.663 30.317 31.823 0.261 0.000 0.651 215 V HN 0.668 nan 8.190 nan 0.000 0.450 216 G N -0.589 108.163 108.800 -0.080 0.000 2.421 216 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.216 216 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.216 216 G C 1.718 176.575 174.900 -0.073 0.000 1.171 216 G CA 1.009 46.094 45.100 -0.025 0.000 0.775 216 G HN 0.444 nan 8.290 nan 0.000 0.543 217 R N -0.227 120.168 120.500 -0.174 0.000 2.081 217 R HA -0.030 4.309 4.340 -0.002 0.000 0.235 217 R C 2.676 178.829 176.300 -0.244 0.000 1.131 217 R CA 1.355 57.303 56.100 -0.253 0.000 0.960 217 R CB -0.382 29.655 30.300 -0.438 0.000 0.856 217 R HN 0.248 nan 8.270 nan 0.000 0.436 218 V N 1.332 121.059 119.914 -0.312 0.000 2.287 218 V HA -0.276 3.843 4.120 -0.002 0.000 0.248 218 V C 2.335 178.355 176.094 -0.123 0.000 1.053 218 V CA 1.834 63.981 62.300 -0.255 0.000 1.027 218 V CB -0.415 31.231 31.823 -0.295 0.000 0.646 218 V HN 0.354 nan 8.190 nan 0.000 0.447 219 L N 0.829 122.000 121.223 -0.086 0.000 2.083 219 L HA -0.171 4.167 4.340 -0.002 0.000 0.209 219 L C 2.739 179.586 176.870 -0.037 0.000 1.083 219 L CA 1.835 56.648 54.840 -0.045 0.000 0.752 219 L CB -0.794 41.259 42.059 -0.011 0.000 0.899 219 L HN 0.575 nan 8.230 nan 0.000 0.433 220 S N -0.026 115.650 115.700 -0.041 0.000 2.419 220 S HA -0.167 4.301 4.470 -0.002 0.000 0.233 220 S C 2.021 176.605 174.600 -0.027 0.000 1.016 220 S CA 0.944 59.130 58.200 -0.024 0.000 0.974 220 S CB -0.243 62.937 63.200 -0.034 0.000 0.786 220 S HN 0.372 nan 8.310 nan 0.000 0.492 221 A N 1.869 124.663 122.820 -0.043 0.000 1.861 221 A HA 0.332 4.651 4.320 -0.002 0.000 0.212 221 A C 2.285 179.869 177.584 -0.001 0.000 1.199 221 A CA 1.137 53.165 52.037 -0.015 0.000 0.613 221 A CB -0.542 18.439 19.000 -0.032 0.000 0.846 221 A HN 0.483 nan 8.150 nan 0.000 0.446 222 M N 0.109 119.693 119.600 -0.026 0.000 2.549 222 M HA 0.015 4.494 4.480 -0.002 0.000 0.260 222 M C 1.497 177.723 176.300 -0.124 0.000 1.076 222 M CA 0.792 56.063 55.300 -0.049 0.000 1.090 222 M CB -0.813 31.755 32.600 -0.052 0.000 1.418 222 M HN 0.293 nan 8.290 nan 0.000 0.486 223 I N 0.587 121.113 120.570 -0.074 0.000 2.761 223 I HA -0.132 4.036 4.170 -0.002 0.000 0.261 223 I C 0.587 176.744 176.117 0.066 0.000 1.198 223 I CA 0.468 61.726 61.300 -0.071 0.000 1.482 223 I CB -1.303 36.712 38.000 0.024 0.000 1.100 223 I HN 0.332 nan 8.210 nan 0.000 0.445 224 N N -0.272 118.504 118.700 0.127 0.000 2.487 224 N HA 0.077 4.816 4.740 -0.002 0.000 0.292 224 N C 0.779 176.360 175.510 0.117 0.000 1.108 224 N CA -0.122 53.081 53.050 0.255 0.000 0.956 224 N CB 0.840 39.345 38.487 0.030 0.000 1.176 224 N HN -0.052 nan 8.380 nan 0.000 0.484 225 S N 0.036 115.819 115.700 0.138 0.000 2.561 225 S HA -0.002 4.466 4.470 -0.002 0.000 0.225 225 S C 0.002 174.675 174.600 0.121 0.000 0.977 225 S CA -0.332 57.939 58.200 0.118 0.000 0.926 225 S CB -0.896 62.380 63.200 0.127 0.000 0.769 225 S HN 0.623 nan 8.310 nan 0.000 0.533 226 N N 2.989 121.748 118.700 0.100 0.000 2.441 226 N HA 0.166 4.905 4.740 -0.002 0.000 0.251 226 N C 0.230 175.850 175.510 0.183 0.000 1.242 226 N CA 0.758 53.884 53.050 0.127 0.000 0.898 226 N CB 0.017 38.539 38.487 0.059 0.000 1.100 226 N HN 0.093 nan 8.380 nan 0.000 0.443 227 D N -0.705 119.807 120.400 0.186 0.000 2.531 227 D HA -0.229 4.410 4.640 -0.002 0.000 0.176 227 D C -0.213 176.158 176.300 0.117 0.000 1.217 227 D CA 2.064 56.153 54.000 0.148 0.000 1.125 227 D CB -0.816 40.072 40.800 0.147 0.000 1.148 227 D HN 0.857 nan 8.370 nan 0.000 0.430 228 D N -1.310 119.165 120.400 0.125 0.000 2.704 228 D HA 0.089 4.728 4.640 -0.002 0.000 0.291 228 D C -0.150 176.245 176.300 0.157 0.000 1.610 228 D CA -0.234 53.841 54.000 0.125 0.000 0.807 228 D CB -0.499 40.370 40.800 0.114 0.000 1.233 228 D HN 0.043 nan 8.370 nan 0.000 0.445 229 N N 0.399 119.200 118.700 0.167 0.000 2.754 229 N HA -0.098 4.641 4.740 -0.002 0.000 0.248 229 N C 0.748 176.467 175.510 0.348 0.000 1.093 229 N CA 1.097 54.283 53.050 0.226 0.000 0.699 229 N CB -1.359 37.243 38.487 0.192 0.000 1.016 229 N HN 0.579 nan 8.380 nan 0.000 0.552 230 G N -0.433 108.495 108.800 0.214 0.000 2.529 230 G HA2 0.333 4.291 3.960 -0.002 0.000 0.277 230 G HA3 0.333 4.291 3.960 -0.002 0.000 0.277 230 G C 1.266 176.116 174.900 -0.084 0.000 1.383 230 G CA 0.259 45.400 45.100 0.069 0.000 1.050 230 G HN 0.045 nan 8.290 nan 0.000 0.526 231 V N -0.392 119.217 119.914 -0.507 0.000 2.283 231 V HA 0.119 4.238 4.120 -0.002 0.000 0.239 231 V C 1.189 177.109 176.094 -0.289 0.000 1.035 231 V CA 1.035 62.861 62.300 -0.791 0.000 1.018 231 V CB -0.759 30.516 31.823 -0.913 0.000 0.658 231 V HN 0.274 nan 8.190 nan 0.000 0.459 232 L N 0.540 121.648 121.223 -0.192 0.000 2.309 232 L HA 0.685 5.024 4.340 -0.002 0.000 0.282 232 L C -0.074 176.819 176.870 0.038 0.000 1.036 232 L CA -0.373 54.345 54.840 -0.202 0.000 0.806 232 L CB 1.337 43.009 42.059 -0.645 0.000 1.220 232 L HN 0.205 nan 8.230 nan 0.000 0.429 233 A N 2.237 125.065 122.820 0.013 0.000 2.260 233 A HA 0.677 4.995 4.320 -0.002 0.000 0.308 233 A C 0.314 178.029 177.584 0.218 0.000 1.254 233 A CA -0.299 51.834 52.037 0.160 0.000 0.874 233 A CB 0.704 19.786 19.000 0.137 0.000 1.153 233 A HN 0.764 nan 8.150 nan 0.000 0.527 234 G N 0.799 109.799 108.800 0.333 0.000 2.476 234 G HA2 0.470 4.428 3.960 -0.002 0.000 0.269 234 G HA3 0.470 4.428 3.960 -0.002 0.000 0.269 234 G C -0.310 174.608 174.900 0.030 0.000 1.195 234 G CA -0.530 44.672 45.100 0.170 0.000 0.843 234 G HN 0.922 nan 8.290 nan 0.000 0.545 235 N N 0.033 118.484 118.700 -0.415 0.000 2.648 235 N HA 0.119 4.858 4.740 -0.002 0.000 0.272 235 N C -0.836 174.513 175.510 -0.268 0.000 1.118 235 N CA -0.725 52.216 53.050 -0.182 0.000 0.973 235 N CB 1.107 39.413 38.487 -0.303 0.000 1.565 235 N HN 0.596 nan 8.380 nan 0.000 0.542 236 W N 3.015 124.354 121.300 0.065 0.000 2.357 236 W HA 0.154 4.813 4.660 -0.002 0.000 0.386 236 W C 1.270 177.782 176.519 -0.011 0.000 0.889 236 W CA -0.307 57.053 57.345 0.025 0.000 2.425 236 W CB 0.655 30.013 29.460 -0.171 0.000 1.244 236 W HN 0.597 nan 8.180 nan 0.000 0.646 237 S N -0.964 114.795 115.700 0.098 0.000 2.478 237 S HA 0.226 4.695 4.470 -0.002 0.000 0.222 237 S C 1.790 176.318 174.600 -0.121 0.000 1.008 237 S CA 1.085 59.262 58.200 -0.038 0.000 0.928 237 S CB 0.394 63.515 63.200 -0.131 0.000 0.781 237 S HN 0.371 nan 8.310 nan 0.000 0.518 238 G N 0.126 108.776 108.800 -0.251 0.000 2.234 238 G HA2 -0.185 3.773 3.960 -0.002 0.000 0.235 238 G HA3 -0.185 3.773 3.960 -0.002 0.000 0.235 238 G C 0.180 174.654 174.900 -0.709 0.000 0.997 238 G CA 0.191 45.142 45.100 -0.248 0.000 0.623 238 G HN 0.682 nan 8.290 nan 0.000 0.514 239 T N 0.643 114.647 114.554 -0.917 0.000 2.786 239 T HA 0.579 4.928 4.350 -0.002 0.000 0.283 239 T C -0.526 173.578 174.700 -0.994 0.000 0.992 239 T CA -0.247 61.406 62.100 -0.744 0.000 0.954 239 T CB 1.004 69.678 68.868 -0.323 0.000 0.934 239 T HN 0.259 nan 8.240 nan 0.000 0.440 240 Y N 1.240 121.497 120.300 -0.072 0.000 2.722 240 Y HA 0.255 4.803 4.550 -0.002 0.000 0.314 240 Y C 1.247 177.224 175.900 0.128 0.000 1.008 240 Y CA -0.978 57.086 58.100 -0.060 0.000 1.294 240 Y CB -0.005 38.472 38.460 0.027 0.000 1.231 240 Y HN 0.465 nan 8.280 nan 0.000 0.558 241 T N 0.641 115.263 114.554 0.113 0.000 2.928 241 T HA 0.295 4.644 4.350 -0.002 0.000 0.305 241 T C 1.257 176.103 174.700 0.244 0.000 1.035 241 T CA 1.209 63.389 62.100 0.135 0.000 1.145 241 T CB 0.681 69.582 68.868 0.054 0.000 0.963 241 T HN 0.848 nan 8.240 nan 0.000 0.545 242 G N 1.271 110.173 108.800 0.171 0.000 2.143 242 G HA2 0.045 4.004 3.960 -0.002 0.000 0.249 242 G HA3 0.045 4.004 3.960 -0.002 0.000 0.249 242 G C 0.340 175.295 174.900 0.092 0.000 0.981 242 G CA 0.093 45.275 45.100 0.137 0.000 0.665 242 G HN 1.272 nan 8.290 nan 0.000 0.528 243 G N -1.481 107.414 108.800 0.160 0.000 2.561 243 G HA2 0.651 4.610 3.960 -0.002 0.000 0.310 243 G HA3 0.651 4.610 3.960 -0.002 0.000 0.310 243 G C -0.951 173.999 174.900 0.083 0.000 1.292 243 G CA -0.736 44.364 45.100 0.000 0.000 0.811 243 G HN 0.444 nan 8.290 nan 0.000 0.482 244 R N 0.431 120.930 120.500 -0.002 0.000 2.532 244 R HA 0.336 4.675 4.340 -0.002 0.000 0.295 244 R C -0.970 175.252 176.300 -0.130 0.000 0.968 244 R CA -0.802 55.194 56.100 -0.174 0.000 0.916 244 R CB 1.810 31.727 30.300 -0.638 0.000 1.124 244 R HN 0.540 nan 8.270 nan 0.000 0.463 245 D N 3.316 123.601 120.400 -0.192 0.000 2.434 245 D HA -0.006 4.632 4.640 -0.002 0.000 0.252 245 D C -1.556 174.513 176.300 -0.386 0.000 1.185 245 D CA -1.462 52.332 54.000 -0.343 0.000 0.886 245 D CB 1.316 42.048 40.800 -0.113 0.000 1.148 245 D HN 0.178 nan 8.370 nan 0.000 0.483 246 P HA -0.169 nan 4.420 nan 0.000 0.217 246 P C 1.158 178.605 177.300 0.246 0.000 1.148 246 P CA 1.109 64.132 63.100 -0.128 0.000 0.834 246 P CB 0.236 31.689 31.700 -0.411 0.000 0.783 247 R N -0.644 119.998 120.500 0.237 0.000 2.235 247 R HA 0.015 4.354 4.340 -0.002 0.000 0.213 247 R C 2.204 178.622 176.300 0.197 0.000 1.059 247 R CA 1.490 57.821 56.100 0.384 0.000 0.997 247 R CB -0.995 29.442 30.300 0.229 0.000 0.884 247 R HN 0.367 nan 8.270 nan 0.000 0.462 248 S N -0.521 115.170 115.700 -0.015 0.000 2.436 248 S HA -0.090 4.379 4.470 -0.002 0.000 0.228 248 S C 0.656 175.199 174.600 -0.095 0.000 1.014 248 S CA -0.278 57.847 58.200 -0.126 0.000 0.950 248 S CB -0.390 62.637 63.200 -0.288 0.000 0.784 248 S HN 0.249 nan 8.310 nan 0.000 0.504 249 W N 2.318 123.650 121.300 0.054 0.000 2.274 249 W HA 0.176 4.834 4.660 -0.002 0.000 0.345 249 W C 0.820 177.248 176.519 -0.151 0.000 1.265 249 W CA -0.257 57.074 57.345 -0.023 0.000 1.293 249 W CB 0.336 29.866 29.460 0.117 0.000 1.175 249 W HN 0.193 nan 8.180 nan 0.000 0.577 250 D N 0.738 121.038 120.400 -0.166 0.000 2.479 250 D HA 0.228 4.867 4.640 -0.002 0.000 0.216 250 D C 0.714 176.323 176.300 -1.152 0.000 1.110 250 D CA 0.402 54.131 54.000 -0.452 0.000 0.841 250 D CB 0.954 41.603 40.800 -0.252 0.000 1.040 250 D HN 0.457 nan 8.370 nan 0.000 0.505 251 G N -0.729 107.200 108.800 -1.451 0.000 2.488 251 G HA2 0.256 4.214 3.960 -0.002 0.000 0.301 251 G HA3 0.256 4.214 3.960 -0.002 0.000 0.301 251 G C 0.034 174.522 174.900 -0.687 0.000 1.339 251 G CA -0.205 43.855 45.100 -1.733 0.000 0.803 251 G HN -0.135 nan 8.290 nan 0.000 0.482 252 S N -0.732 114.908 115.700 -0.099 0.000 2.501 252 S HA 0.024 4.493 4.470 -0.002 0.000 0.220 252 S C 2.448 177.047 174.600 -0.003 0.000 0.997 252 S CA 0.816 59.098 58.200 0.136 0.000 0.919 252 S CB 0.230 63.626 63.200 0.327 0.000 0.778 252 S HN 0.443 nan 8.310 nan 0.000 0.523 253 V N 2.646 122.542 119.914 -0.030 0.000 2.255 253 V HA -0.189 3.930 4.120 -0.002 0.000 0.247 253 V C 2.548 178.644 176.094 0.003 0.000 1.051 253 V CA 1.733 64.033 62.300 -0.001 0.000 1.018 253 V CB -0.546 31.274 31.823 -0.005 0.000 0.641 253 V HN 0.396 nan 8.190 nan 0.000 0.445 254 E N -0.227 119.973 120.200 0.000 0.000 2.150 254 E HA -0.112 4.237 4.350 -0.002 0.000 0.193 254 E C 2.134 178.744 176.600 0.016 0.000 0.985 254 E CA 1.095 57.534 56.400 0.065 0.000 0.814 254 E CB -0.313 29.497 29.700 0.184 0.000 0.752 254 E HN 0.597 nan 8.360 nan 0.000 0.466 255 I N 0.811 121.278 120.570 -0.173 0.000 2.113 255 I HA -0.292 3.876 4.170 -0.002 0.000 0.238 255 I C 2.417 178.481 176.117 -0.088 0.000 1.070 255 I CA 1.112 62.210 61.300 -0.336 0.000 1.332 255 I CB -0.330 37.337 38.000 -0.555 0.000 1.044 255 I HN 0.044 nan 8.210 nan 0.000 0.402 256 L N 0.228 121.433 121.223 -0.030 0.000 2.141 256 L HA -0.182 4.156 4.340 -0.002 0.000 0.209 256 L C 2.506 179.478 176.870 0.169 0.000 1.094 256 L CA 1.304 56.198 54.840 0.091 0.000 0.763 256 L CB -0.566 41.535 42.059 0.069 0.000 0.908 256 L HN 0.174 nan 8.230 nan 0.000 0.437 257 K N -0.194 120.266 120.400 0.100 0.000 2.103 257 K HA -0.082 4.237 4.320 -0.002 0.000 0.204 257 K C 1.832 178.487 176.600 0.092 0.000 1.052 257 K CA 0.964 57.306 56.287 0.091 0.000 0.945 257 K CB -0.148 32.391 32.500 0.064 0.000 0.722 257 K HN 0.274 nan 8.250 nan 0.000 0.443 258 N N 0.391 119.152 118.700 0.103 0.000 2.188 258 N HA -0.166 4.573 4.740 -0.002 0.000 0.184 258 N C 1.332 176.918 175.510 0.126 0.000 1.018 258 N CA 0.816 53.928 53.050 0.103 0.000 0.858 258 N CB -0.331 38.231 38.487 0.127 0.000 0.989 258 N HN 0.278 nan 8.380 nan 0.000 0.426 259 W N 2.732 124.011 121.300 -0.036 0.000 2.333 259 W HA -0.154 4.505 4.660 -0.002 0.000 0.316 259 W C 2.420 178.926 176.519 -0.022 0.000 1.215 259 W CA 1.720 59.043 57.345 -0.036 0.000 1.278 259 W CB -0.411 29.020 29.460 -0.048 0.000 1.154 259 W HN -0.000 nan 8.180 nan 0.000 0.486 260 K N 0.700 121.084 120.400 -0.027 0.000 1.985 260 K HA -0.275 4.044 4.320 -0.002 0.000 0.210 260 K C 2.297 178.798 176.600 -0.165 0.000 1.047 260 K CA 2.117 58.285 56.287 -0.199 0.000 0.932 260 K CB -0.670 31.804 32.500 -0.043 0.000 0.716 260 K HN 0.058 nan 8.250 nan 0.000 0.439 261 K N 0.584 120.945 120.400 -0.065 0.000 2.160 261 K HA -0.139 4.180 4.320 -0.002 0.000 0.206 261 K C 1.660 178.219 176.600 -0.070 0.000 1.047 261 K CA 1.899 58.156 56.287 -0.050 0.000 0.930 261 K CB -0.182 32.313 32.500 -0.009 0.000 0.720 261 K HN 0.321 nan 8.250 nan 0.000 0.450 262 S N -0.889 114.761 115.700 -0.082 0.000 2.671 262 S HA 0.140 4.609 4.470 -0.002 0.000 0.220 262 S C 0.867 175.388 174.600 -0.132 0.000 0.951 262 S CA 0.247 58.400 58.200 -0.079 0.000 0.932 262 S CB 0.191 63.369 63.200 -0.037 0.000 0.777 262 S HN 0.503 nan 8.310 nan 0.000 0.508 263 G N 1.791 110.473 108.800 -0.196 0.000 2.225 263 G HA2 -0.234 3.724 3.960 -0.002 0.000 0.264 263 G HA3 -0.234 3.724 3.960 -0.002 0.000 0.264 263 G C 0.379 175.091 174.900 -0.315 0.000 1.060 263 G CA -0.124 44.844 45.100 -0.221 0.000 0.833 263 G HN 1.217 nan 8.290 nan 0.000 0.498 264 L N -2.248 118.629 121.223 -0.577 0.000 4.089 264 L HA -0.231 4.108 4.340 -0.002 0.000 0.408 264 L C 1.283 178.000 176.870 -0.255 0.000 1.184 264 L CA 0.815 55.141 54.840 -0.857 0.000 0.947 264 L CB -2.576 39.084 42.059 -0.665 0.000 2.066 264 L HN 1.300 nan 8.230 nan 0.000 0.851 265 S N -1.218 114.411 115.700 -0.119 0.000 2.610 265 S HA 0.704 5.173 4.470 -0.002 0.000 0.273 265 S C -2.119 172.584 174.600 0.172 0.000 1.274 265 S CA -1.361 56.864 58.200 0.041 0.000 1.023 265 S CB 1.547 64.752 63.200 0.009 0.000 0.962 265 S HN -0.001 nan 8.310 nan 0.000 0.523 266 P HA 0.111 nan 4.420 nan 0.000 0.264 266 P C -0.977 176.368 177.300 0.075 0.000 1.183 266 P CA -0.209 62.977 63.100 0.144 0.000 0.763 266 P CB 0.300 32.054 31.700 0.090 0.000 0.807 267 V N 5.717 125.658 119.914 0.046 0.000 2.406 267 V HA 0.245 4.363 4.120 -0.002 0.000 0.272 267 V C 0.771 176.800 176.094 -0.107 0.000 1.043 267 V CA -0.163 62.130 62.300 -0.010 0.000 0.915 267 V CB 0.369 32.146 31.823 -0.077 0.000 0.988 267 V HN 0.440 nan 8.190 nan 0.000 0.466 268 R N 4.679 125.057 120.500 -0.203 0.000 2.338 268 R HA 0.674 5.013 4.340 -0.002 0.000 0.317 268 R C -1.478 174.690 176.300 -0.221 0.000 0.968 268 R CA -0.438 55.262 56.100 -0.667 0.000 0.849 268 R CB 1.392 30.792 30.300 -1.500 0.000 1.128 268 R HN 0.636 nan 8.270 nan 0.000 0.448 269 Y N -0.317 120.098 120.300 0.192 0.000 2.638 269 Y HA 0.670 5.219 4.550 -0.002 0.000 0.339 269 Y C 0.638 176.495 175.900 -0.072 0.000 1.084 269 Y CA -0.963 57.148 58.100 0.019 0.000 1.068 269 Y CB 2.516 40.958 38.460 -0.031 0.000 1.294 269 Y HN 0.682 nan 8.280 nan 0.000 0.480 270 G N 0.105 108.792 108.800 -0.189 0.000 2.630 270 G HA2 0.707 4.666 3.960 -0.002 0.000 0.296 270 G HA3 0.707 4.666 3.960 -0.002 0.000 0.296 270 G C -1.776 172.712 174.900 -0.687 0.000 1.285 270 G CA -0.699 44.063 45.100 -0.562 0.000 0.958 270 G HN 0.472 nan 8.290 nan 0.000 0.479 271 Q N -1.439 117.892 119.800 -0.782 0.000 2.544 271 Q HA 0.283 4.621 4.340 -0.002 0.000 0.291 271 Q C 1.634 177.653 176.000 0.031 0.000 1.068 271 Q CA -0.556 54.942 55.803 -0.509 0.000 0.785 271 Q CB 2.361 30.682 28.738 -0.695 0.000 1.481 271 Q HN 0.863 nan 8.270 nan 0.000 0.430 272 C N -0.388 119.382 119.300 0.783 0.000 2.382 272 C HA -0.195 4.264 4.460 -0.002 0.000 0.274 272 C C 2.001 177.228 174.990 0.394 0.000 1.180 272 C CA 1.664 61.160 59.018 0.797 0.000 1.799 272 C CB -1.620 26.782 27.740 1.104 0.000 2.094 272 C HN 1.008 nan 8.230 nan 0.000 0.468 273 W N 1.843 123.283 121.300 0.234 0.000 2.467 273 W HA 0.206 4.865 4.660 -0.002 0.000 0.275 273 W C 1.783 178.088 176.519 -0.357 0.000 1.239 273 W CA 1.091 58.395 57.345 -0.068 0.000 1.266 273 W CB -1.068 28.326 29.460 -0.110 0.000 1.112 273 W HN 0.204 nan 8.180 nan 0.000 0.576 274 V N 1.074 120.436 119.914 -0.921 0.000 2.379 274 V HA -0.258 3.861 4.120 -0.002 0.000 0.245 274 V C 2.193 177.967 176.094 -0.532 0.000 1.044 274 V CA 1.727 63.522 62.300 -0.842 0.000 1.036 274 V CB -1.166 30.141 31.823 -0.861 0.000 0.664 274 V HN 0.097 nan 8.190 nan 0.000 0.453 275 F N 1.135 120.921 119.950 -0.275 0.000 2.102 275 F HA -0.095 4.431 4.527 -0.002 0.000 0.298 275 F C 2.512 178.247 175.800 -0.107 0.000 1.105 275 F CA 1.515 59.434 58.000 -0.135 0.000 1.239 275 F CB -1.008 37.986 39.000 -0.009 0.000 0.991 275 F HN 0.080 nan 8.300 nan 0.000 0.474 276 A N 0.154 123.032 122.820 0.097 0.000 1.902 276 A HA -0.058 4.261 4.320 -0.002 0.000 0.217 276 A C 2.547 180.108 177.584 -0.039 0.000 1.181 276 A CA 1.799 53.862 52.037 0.043 0.000 0.623 276 A CB -1.589 17.436 19.000 0.042 0.000 0.818 276 A HN 0.408 nan 8.150 nan 0.000 0.443 277 G N -1.234 107.397 108.800 -0.281 0.000 2.408 277 G HA2 -0.097 3.862 3.960 -0.002 0.000 0.217 277 G HA3 -0.097 3.862 3.960 -0.002 0.000 0.217 277 G C 1.551 176.545 174.900 0.157 0.000 1.150 277 G CA 1.591 46.499 45.100 -0.321 0.000 0.776 277 G HN 0.438 nan 8.290 nan 0.000 0.542 278 T N 1.142 115.729 114.554 0.055 0.000 2.777 278 T HA -0.090 4.259 4.350 -0.002 0.000 0.266 278 T C 2.217 176.957 174.700 0.067 0.000 1.040 278 T CA 1.087 63.244 62.100 0.095 0.000 1.141 278 T CB -0.190 68.644 68.868 -0.057 0.000 0.868 278 T HN 0.127 nan 8.240 nan 0.000 0.444 279 L N 2.062 123.314 121.223 0.048 0.000 2.056 279 L HA 0.040 4.379 4.340 -0.002 0.000 0.207 279 L C 2.080 178.970 176.870 0.034 0.000 1.078 279 L CA 1.643 56.510 54.840 0.044 0.000 0.749 279 L CB -0.983 41.115 42.059 0.066 0.000 0.901 279 L HN 0.228 nan 8.230 nan 0.000 0.433 280 N N -1.417 117.294 118.700 0.019 0.000 2.149 280 N HA -0.205 4.534 4.740 -0.002 0.000 0.188 280 N C 1.488 176.907 175.510 -0.153 0.000 1.019 280 N CA 1.868 54.853 53.050 -0.108 0.000 0.857 280 N CB 0.119 38.464 38.487 -0.237 0.000 0.997 280 N HN 0.457 nan 8.380 nan 0.000 0.426 281 T N 0.610 115.165 114.554 0.002 0.000 2.737 281 T HA -0.040 4.309 4.350 -0.002 0.000 0.265 281 T C 1.953 176.673 174.700 0.033 0.000 1.038 281 T CA 1.271 63.401 62.100 0.051 0.000 1.144 281 T CB -0.327 68.662 68.868 0.201 0.000 0.866 281 T HN 0.394 nan 8.240 nan 0.000 0.434 282 A N 1.228 124.075 122.820 0.045 0.000 1.877 282 A HA 0.007 4.326 4.320 -0.002 0.000 0.216 282 A C 2.317 179.945 177.584 0.073 0.000 1.186 282 A CA 1.231 53.299 52.037 0.052 0.000 0.620 282 A CB -0.928 18.090 19.000 0.030 0.000 0.822 282 A HN 0.453 nan 8.150 nan 0.000 0.443 283 L N -1.040 120.220 121.223 0.061 0.000 1.989 283 L HA -0.243 4.096 4.340 -0.002 0.000 0.211 283 L C 2.937 179.872 176.870 0.107 0.000 1.071 283 L CA 1.848 56.741 54.840 0.090 0.000 0.749 283 L CB -0.521 41.586 42.059 0.080 0.000 0.890 283 L HN 0.359 nan 8.230 nan 0.000 0.431 284 R N -0.198 120.329 120.500 0.045 0.000 2.081 284 R HA -0.154 4.185 4.340 -0.002 0.000 0.235 284 R C 2.604 178.989 176.300 0.141 0.000 1.131 284 R CA 1.712 57.847 56.100 0.058 0.000 0.960 284 R CB -0.490 29.767 30.300 -0.071 0.000 0.856 284 R HN 0.511 nan 8.270 nan 0.000 0.436 285 S N 0.894 116.671 115.700 0.129 0.000 2.399 285 S HA -0.074 4.395 4.470 -0.002 0.000 0.231 285 S C 1.888 176.662 174.600 0.291 0.000 1.022 285 S CA 0.919 59.275 58.200 0.260 0.000 0.983 285 S CB -0.276 63.042 63.200 0.197 0.000 0.803 285 S HN 0.262 nan 8.310 nan 0.000 0.480 286 L N 0.807 122.176 121.223 0.243 0.000 2.591 286 L HA 0.312 4.650 4.340 -0.002 0.000 0.228 286 L C 1.855 178.982 176.870 0.428 0.000 1.133 286 L CA 0.415 55.427 54.840 0.286 0.000 0.880 286 L CB -0.684 41.556 42.059 0.301 0.000 1.033 286 L HN 0.644 nan 8.230 nan 0.000 0.450 287 G N 0.797 109.836 108.800 0.397 0.000 2.144 287 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.218 287 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.218 287 G C 0.136 175.238 174.900 0.337 0.000 0.988 287 G CA -0.473 44.890 45.100 0.438 0.000 0.659 287 G HN 0.251 nan 8.290 nan 0.000 0.522 288 I N 2.119 122.828 120.570 0.232 0.000 2.312 288 I HA 0.258 4.427 4.170 -0.002 0.000 0.291 288 I C -2.008 174.216 176.117 0.179 0.000 1.031 288 I CA -2.283 59.094 61.300 0.128 0.000 1.293 288 I CB 1.417 39.450 38.000 0.055 0.000 1.403 288 I HN -0.150 nan 8.210 nan 0.000 0.484 289 P HA 0.011 nan 4.420 nan 0.000 0.263 289 P C -0.740 176.723 177.300 0.272 0.000 1.195 289 P CA 0.271 63.483 63.100 0.187 0.000 0.762 289 P CB 0.539 32.286 31.700 0.079 0.000 0.799 290 S N 2.730 118.570 115.700 0.234 0.000 2.596 290 S HA 0.872 5.341 4.470 -0.002 0.000 0.270 290 S C -0.987 173.608 174.600 -0.008 0.000 1.155 290 S CA -1.057 57.245 58.200 0.171 0.000 0.827 290 S CB 2.456 65.723 63.200 0.112 0.000 1.130 290 S HN 0.583 nan 8.310 nan 0.000 0.467 291 R N -0.540 119.873 120.500 -0.146 0.000 2.752 291 R HA 0.789 5.128 4.340 -0.002 0.000 0.271 291 R C -1.943 174.286 176.300 -0.118 0.000 1.026 291 R CA -1.156 54.842 56.100 -0.171 0.000 0.901 291 R CB 1.002 31.067 30.300 -0.392 0.000 1.243 291 R HN 0.441 nan 8.270 nan 0.000 0.463 292 V N 2.305 122.196 119.914 -0.039 0.000 2.394 292 V HA 0.403 4.522 4.120 -0.002 0.000 0.282 292 V C -0.139 175.881 176.094 -0.123 0.000 1.031 292 V CA -0.725 61.555 62.300 -0.033 0.000 0.881 292 V CB 1.343 33.206 31.823 0.066 0.000 0.982 292 V HN 0.493 nan 8.190 nan 0.000 0.451 293 I N 3.699 124.102 120.570 -0.278 0.000 2.474 293 I HA 0.473 4.642 4.170 -0.002 0.000 0.294 293 I C 0.199 175.912 176.117 -0.673 0.000 1.005 293 I CA -0.198 60.808 61.300 -0.491 0.000 1.113 293 I CB 1.915 39.492 38.000 -0.704 0.000 1.289 293 I HN 0.520 nan 8.210 nan 0.000 0.436 294 T N 5.833 120.078 114.554 -0.515 0.000 2.786 294 T HA 0.280 4.629 4.350 -0.002 0.000 0.283 294 T C -0.027 174.314 174.700 -0.598 0.000 0.992 294 T CA -0.607 61.178 62.100 -0.526 0.000 0.954 294 T CB 1.066 69.718 68.868 -0.360 0.000 0.934 294 T HN 0.546 nan 8.240 nan 0.000 0.440 295 N N 3.084 121.386 118.700 -0.662 0.000 2.424 295 N HA 0.401 5.140 4.740 -0.002 0.000 0.271 295 N C -1.081 174.298 175.510 -0.219 0.000 0.985 295 N CA -0.495 52.307 53.050 -0.414 0.000 0.921 295 N CB 0.681 38.916 38.487 -0.421 0.000 1.149 295 N HN 0.281 nan 8.380 nan 0.000 0.492 296 F N 2.293 122.290 119.950 0.078 0.000 2.394 296 F HA 0.277 4.802 4.527 -0.002 0.000 0.340 296 F C 0.836 176.722 175.800 0.144 0.000 1.105 296 F CA -0.469 57.650 58.000 0.198 0.000 1.124 296 F CB 0.790 39.919 39.000 0.214 0.000 1.145 296 F HN 0.541 nan 8.300 nan 0.000 0.505 297 N N 0.539 119.439 118.700 0.333 0.000 2.780 297 N HA -0.222 4.517 4.740 -0.002 0.000 0.247 297 N C -0.551 175.047 175.510 0.147 0.000 1.076 297 N CA 0.523 53.708 53.050 0.225 0.000 0.688 297 N CB -1.170 37.419 38.487 0.170 0.000 0.957 297 N HN 0.446 nan 8.380 nan 0.000 0.551 298 S N -0.444 115.350 115.700 0.157 0.000 2.448 298 S HA 0.678 5.146 4.470 -0.002 0.000 0.279 298 S C 0.519 175.090 174.600 -0.047 0.000 1.195 298 S CA -0.072 58.167 58.200 0.065 0.000 1.051 298 S CB 0.374 63.653 63.200 0.131 0.000 0.948 298 S HN 0.474 nan 8.310 nan 0.000 0.493 299 A N 4.186 126.957 122.820 -0.081 0.000 2.354 299 A HA 0.399 4.718 4.320 -0.002 0.000 0.269 299 A C -0.076 177.406 177.584 -0.170 0.000 1.109 299 A CA -0.362 51.625 52.037 -0.082 0.000 0.800 299 A CB 0.239 19.218 19.000 -0.035 0.000 1.045 299 A HN 0.944 nan 8.150 nan 0.000 0.489 300 H N 2.034 120.992 119.070 -0.186 0.000 2.360 300 H HA 0.246 4.800 4.556 -0.002 0.000 0.233 300 H C -0.991 174.347 175.328 0.016 0.000 1.473 300 H CA -0.911 55.065 56.048 -0.121 0.000 1.352 300 H CB -0.008 29.642 29.762 -0.187 0.000 1.493 300 H HN 0.706 nan 8.280 nan 0.000 0.533 301 D N 2.279 122.828 120.400 0.247 0.000 2.363 301 D HA -0.062 4.576 4.640 -0.002 0.000 0.263 301 D C 1.034 177.503 176.300 0.281 0.000 1.258 301 D CA 0.249 54.369 54.000 0.199 0.000 0.907 301 D CB 0.756 41.629 40.800 0.122 0.000 1.107 301 D HN 0.540 nan 8.370 nan 0.000 0.495 302 T N 0.449 115.101 114.554 0.164 0.000 3.206 302 T HA 0.121 4.469 4.350 -0.002 0.000 0.253 302 T C 0.016 174.749 174.700 0.056 0.000 1.042 302 T CA -0.336 61.828 62.100 0.106 0.000 0.931 302 T CB -0.102 68.755 68.868 -0.018 0.000 1.029 302 T HN 0.407 nan 8.240 nan 0.000 0.564 303 D N 0.284 120.723 120.400 0.065 0.000 3.484 303 D HA 0.008 4.647 4.640 -0.002 0.000 0.315 303 D C -0.004 176.319 176.300 0.037 0.000 1.516 303 D CA -0.742 53.279 54.000 0.034 0.000 0.755 303 D CB -0.953 39.857 40.800 0.016 0.000 1.306 303 D HN 0.463 nan 8.370 nan 0.000 0.615 304 R N 1.732 122.267 120.500 0.057 0.000 2.267 304 R HA -0.230 4.108 4.340 -0.002 0.000 0.198 304 R C -0.492 175.816 176.300 0.013 0.000 0.687 304 R CA 1.085 57.211 56.100 0.043 0.000 0.624 304 R CB -1.876 28.441 30.300 0.028 0.000 1.786 304 R HN 0.504 nan 8.270 nan 0.000 0.533 305 N N 2.255 120.969 118.700 0.022 0.000 2.110 305 N HA 0.015 4.753 4.740 -0.002 0.000 0.230 305 N C 0.356 175.878 175.510 0.020 0.000 1.353 305 N CA -0.117 52.938 53.050 0.009 0.000 0.807 305 N CB 0.262 38.769 38.487 0.032 0.000 1.244 305 N HN 0.562 nan 8.380 nan 0.000 0.504 306 L N 0.550 121.794 121.223 0.035 0.000 3.717 306 L HA -0.225 4.114 4.340 -0.002 0.000 0.414 306 L C -0.419 176.571 176.870 0.199 0.000 1.228 306 L CA 0.870 55.766 54.840 0.093 0.000 0.918 306 L CB -2.348 39.656 42.059 -0.092 0.000 1.865 306 L HN 0.472 nan 8.230 nan 0.000 0.922 307 S N -0.294 115.491 115.700 0.142 0.000 2.566 307 S HA 0.731 5.200 4.470 -0.002 0.000 0.273 307 S C -0.450 174.214 174.600 0.107 0.000 1.157 307 S CA -0.070 58.215 58.200 0.141 0.000 0.938 307 S CB 2.091 65.379 63.200 0.148 0.000 1.087 307 S HN 0.467 nan 8.310 nan 0.000 0.474 308 V N 1.412 121.381 119.914 0.092 0.000 2.715 308 V HA 0.758 4.877 4.120 -0.002 0.000 0.310 308 V C -0.833 175.307 176.094 0.077 0.000 1.054 308 V CA -0.723 61.623 62.300 0.076 0.000 0.928 308 V CB 1.803 33.663 31.823 0.061 0.000 1.007 308 V HN 0.833 nan 8.190 nan 0.000 0.437 309 D N 2.133 122.570 120.400 0.063 0.000 2.198 309 D HA 0.702 5.341 4.640 -0.002 0.000 0.247 309 D C -0.981 175.279 176.300 -0.066 0.000 1.010 309 D CA -0.182 53.833 54.000 0.026 0.000 0.880 309 D CB 2.554 43.311 40.800 -0.071 0.000 1.209 309 D HN 0.523 nan 8.370 nan 0.000 0.451 310 V N 2.186 122.012 119.914 -0.147 0.000 2.623 310 V HA 0.298 4.417 4.120 -0.002 0.000 0.304 310 V C -1.193 174.747 176.094 -0.256 0.000 1.054 310 V CA -0.789 61.424 62.300 -0.146 0.000 0.882 310 V CB 1.166 32.958 31.823 -0.051 0.000 1.002 310 V HN 0.412 nan 8.190 nan 0.000 0.424 311 Y N 3.570 123.752 120.300 -0.196 0.000 2.567 311 Y HA 0.840 5.389 4.550 -0.002 0.000 0.333 311 Y C -0.525 175.097 175.900 -0.463 0.000 1.106 311 Y CA -1.143 56.862 58.100 -0.157 0.000 1.157 311 Y CB 1.699 40.077 38.460 -0.137 0.000 1.277 311 Y HN 0.547 nan 8.280 nan 0.000 0.490 312 Y N -0.610 119.774 120.300 0.140 0.000 2.609 312 Y HA 0.331 4.879 4.550 -0.002 0.000 0.336 312 Y C -0.985 174.929 175.900 0.025 0.000 1.129 312 Y CA -1.616 56.511 58.100 0.045 0.000 1.040 312 Y CB 1.642 40.110 38.460 0.013 0.000 1.310 312 Y HN 0.622 nan 8.280 nan 0.000 0.460 313 D N 0.094 120.606 120.400 0.188 0.000 2.385 313 D HA 0.403 5.042 4.640 -0.002 0.000 0.254 313 D C -2.437 173.920 176.300 0.094 0.000 1.053 313 D CA -2.433 51.624 54.000 0.094 0.000 0.992 313 D CB 1.116 41.965 40.800 0.081 0.000 1.145 313 D HN 0.098 nan 8.370 nan 0.000 0.523 314 P HA -0.070 nan 4.420 nan 0.000 0.223 314 P C 1.012 178.366 177.300 0.089 0.000 1.144 314 P CA 1.037 64.206 63.100 0.115 0.000 0.783 314 P CB 0.055 31.849 31.700 0.158 0.000 0.771 315 M N -2.239 117.412 119.600 0.085 0.000 2.563 315 M HA 0.256 4.734 4.480 -0.002 0.000 0.231 315 M C 1.171 177.526 176.300 0.092 0.000 1.136 315 M CA 0.607 55.951 55.300 0.072 0.000 1.026 315 M CB -1.315 31.324 32.600 0.064 0.000 1.597 315 M HN 0.104 nan 8.290 nan 0.000 0.495 316 G N 1.419 110.285 108.800 0.110 0.000 2.137 316 G HA2 -0.213 3.745 3.960 -0.002 0.000 0.237 316 G HA3 -0.213 3.745 3.960 -0.002 0.000 0.237 316 G C -0.024 175.016 174.900 0.232 0.000 1.002 316 G CA -0.226 44.949 45.100 0.125 0.000 0.702 316 G HN 0.458 nan 8.290 nan 0.000 0.515 317 N N 1.044 119.894 118.700 0.249 0.000 2.479 317 N HA 0.451 5.190 4.740 -0.002 0.000 0.285 317 N C -2.881 172.722 175.510 0.156 0.000 1.075 317 N CA -1.198 52.001 53.050 0.248 0.000 0.967 317 N CB 1.747 40.370 38.487 0.226 0.000 1.137 317 N HN 0.027 nan 8.380 nan 0.000 0.472 318 P HA 0.238 nan 4.420 nan 0.000 0.281 318 P C -0.248 176.779 177.300 -0.456 0.000 1.252 318 P CA -0.114 62.778 63.100 -0.347 0.000 0.778 318 P CB 0.831 32.304 31.700 -0.380 0.000 0.895 319 L N 2.874 123.874 121.223 -0.371 0.000 2.375 319 L HA 0.214 4.553 4.340 -0.002 0.000 0.271 319 L C 1.564 178.245 176.870 -0.315 0.000 1.107 319 L CA -0.286 54.385 54.840 -0.283 0.000 0.806 319 L CB 0.463 42.415 42.059 -0.178 0.000 1.146 319 L HN 0.362 nan 8.230 nan 0.000 0.447 320 D N 0.698 120.925 120.400 -0.287 0.000 2.309 320 D HA -0.112 4.527 4.640 -0.002 0.000 0.212 320 D C 0.679 176.851 176.300 -0.212 0.000 0.968 320 D CA 1.219 55.071 54.000 -0.248 0.000 0.882 320 D CB 0.279 40.961 40.800 -0.197 0.000 0.918 320 D HN 0.227 nan 8.370 nan 0.000 0.503 321 K N -0.152 120.106 120.400 -0.238 0.000 2.316 321 K HA 0.298 4.617 4.320 -0.002 0.000 0.289 321 K C 0.685 177.238 176.600 -0.078 0.000 1.070 321 K CA 0.460 56.608 56.287 -0.232 0.000 0.928 321 K CB 0.703 32.933 32.500 -0.449 0.000 1.039 321 K HN 0.043 nan 8.250 nan 0.000 0.480 322 G N 2.652 111.427 108.800 -0.043 0.000 2.176 322 G HA2 -0.359 3.599 3.960 -0.002 0.000 0.253 322 G HA3 -0.359 3.599 3.960 -0.002 0.000 0.253 322 G C 0.960 175.823 174.900 -0.062 0.000 0.979 322 G CA 0.860 45.968 45.100 0.015 0.000 0.641 322 G HN 0.838 nan 8.290 nan 0.000 0.530 323 S N 0.622 116.247 115.700 -0.126 0.000 2.402 323 S HA -0.021 4.448 4.470 -0.002 0.000 0.229 323 S C 1.440 175.978 174.600 -0.104 0.000 1.021 323 S CA 1.755 59.859 58.200 -0.160 0.000 0.974 323 S CB -0.110 62.959 63.200 -0.219 0.000 0.800 323 S HN 0.873 nan 8.310 nan 0.000 0.484 324 D N 0.244 120.590 120.400 -0.090 0.000 2.559 324 D HA 0.337 4.976 4.640 -0.002 0.000 0.234 324 D C 0.824 177.193 176.300 0.116 0.000 1.226 324 D CA -0.191 53.769 54.000 -0.066 0.000 0.830 324 D CB -0.010 40.686 40.800 -0.174 0.000 1.028 324 D HN 0.295 nan 8.370 nan 0.000 0.492 325 S N -0.680 115.068 115.700 0.080 0.000 2.425 325 S HA 0.081 4.549 4.470 -0.002 0.000 0.225 325 S C 0.829 175.528 174.600 0.165 0.000 1.024 325 S CA 0.132 58.389 58.200 0.096 0.000 0.951 325 S CB 0.496 63.717 63.200 0.036 0.000 0.796 325 S HN 0.224 nan 8.310 nan 0.000 0.498 326 V N 2.963 122.990 119.914 0.188 0.000 2.304 326 V HA 0.302 4.421 4.120 -0.002 0.000 0.278 326 V C -1.021 175.267 176.094 0.323 0.000 1.018 326 V CA -0.991 61.426 62.300 0.195 0.000 0.814 326 V CB 0.364 32.264 31.823 0.128 0.000 1.021 326 V HN 0.389 nan 8.190 nan 0.000 0.440 327 W N 2.859 124.146 121.300 -0.021 0.000 2.170 327 W HA 0.297 4.955 4.660 -0.002 0.000 0.336 327 W C 1.448 178.008 176.519 0.067 0.000 1.283 327 W CA -0.907 56.406 57.345 -0.054 0.000 1.224 327 W CB -0.460 28.934 29.460 -0.111 0.000 1.132 327 W HN 0.531 nan 8.180 nan 0.000 0.571 328 N N 0.884 119.767 118.700 0.306 0.000 2.272 328 N HA -0.104 4.635 4.740 -0.002 0.000 0.185 328 N C -0.428 175.405 175.510 0.538 0.000 1.014 328 N CA 1.438 54.730 53.050 0.402 0.000 0.870 328 N CB -0.145 38.609 38.487 0.444 0.000 0.975 328 N HN 0.297 nan 8.380 nan 0.000 0.433 329 F N -3.357 116.850 119.950 0.429 0.000 2.725 329 F HA 0.435 4.961 4.527 -0.002 0.000 0.311 329 F C -1.485 174.606 175.800 0.485 0.000 1.121 329 F CA -1.386 56.708 58.000 0.157 0.000 0.978 329 F CB 0.670 39.487 39.000 -0.305 0.000 1.274 329 F HN -0.212 nan 8.300 nan 0.000 0.440 330 H N 1.697 120.967 119.070 0.333 0.000 2.679 330 H HA 0.832 5.387 4.556 -0.002 0.000 0.360 330 H C -1.993 173.480 175.328 0.241 0.000 1.105 330 H CA -1.045 55.238 56.048 0.391 0.000 1.196 330 H CB 2.173 32.022 29.762 0.146 0.000 1.636 330 H HN 0.733 nan 8.280 nan 0.000 0.531 331 V N 5.993 125.834 119.914 -0.122 0.000 2.513 331 V HA 0.459 4.577 4.120 -0.002 0.000 0.299 331 V C -0.706 175.223 176.094 -0.275 0.000 1.035 331 V CA -0.330 61.834 62.300 -0.228 0.000 0.889 331 V CB 0.805 32.684 31.823 0.093 0.000 0.988 331 V HN 0.900 nan 8.190 nan 0.000 0.440 332 W N 3.627 124.786 121.300 -0.234 0.000 3.483 332 W HA 0.732 5.391 4.660 -0.002 0.000 0.378 332 W C -1.251 175.232 176.519 -0.061 0.000 1.097 332 W CA -1.052 56.206 57.345 -0.144 0.000 1.075 332 W CB 0.711 30.093 29.460 -0.131 0.000 1.534 332 W HN 0.382 nan 8.180 nan 0.000 0.610 333 N N -0.271 118.695 118.700 0.443 0.000 2.469 333 N HA 0.522 5.261 4.740 -0.002 0.000 0.286 333 N C -1.778 173.923 175.510 0.317 0.000 1.275 333 N CA -1.016 52.182 53.050 0.247 0.000 0.790 333 N CB 2.298 40.873 38.487 0.145 0.000 1.446 333 N HN 0.457 nan 8.380 nan 0.000 0.501 334 E N -0.695 119.589 120.200 0.140 0.000 2.272 334 E HA 0.623 4.972 4.350 -0.002 0.000 0.269 334 E C -0.953 175.775 176.600 0.213 0.000 0.877 334 E CA -0.944 55.543 56.400 0.145 0.000 0.755 334 E CB 2.068 31.725 29.700 -0.072 0.000 1.192 334 E HN 0.597 nan 8.360 nan 0.000 0.422 335 G N 1.870 110.814 108.800 0.240 0.000 2.448 335 G HA2 0.351 4.310 3.960 -0.002 0.000 0.324 335 G HA3 0.351 4.310 3.960 -0.002 0.000 0.324 335 G C -1.623 173.307 174.900 0.050 0.000 1.203 335 G CA -0.533 44.711 45.100 0.240 0.000 0.954 335 G HN 0.431 nan 8.290 nan 0.000 0.480 336 W N 3.960 125.165 121.300 -0.158 0.000 2.361 336 W HA 0.643 5.302 4.660 -0.002 0.000 0.314 336 W C -1.854 174.510 176.519 -0.258 0.000 1.041 336 W CA -1.278 55.761 57.345 -0.511 0.000 1.241 336 W CB 0.939 29.892 29.460 -0.847 0.000 1.279 336 W HN 0.467 nan 8.180 nan 0.000 0.436 337 F N 3.054 122.633 119.950 -0.618 0.000 2.769 337 F HA 0.421 4.947 4.527 -0.002 0.000 0.313 337 F C -0.784 174.745 175.800 -0.452 0.000 1.146 337 F CA -1.695 56.023 58.000 -0.469 0.000 0.934 337 F CB -0.369 38.489 39.000 -0.238 0.000 1.283 337 F HN 0.140 nan 8.300 nan 0.000 0.443 338 V N 0.243 120.130 119.914 -0.045 0.000 2.924 338 V HA 0.614 4.733 4.120 -0.002 0.000 0.305 338 V C -0.044 176.110 176.094 0.099 0.000 1.073 338 V CA -0.608 61.657 62.300 -0.058 0.000 1.098 338 V CB 1.030 32.838 31.823 -0.024 0.000 1.000 338 V HN 0.848 nan 8.190 nan 0.000 0.484 339 R N 2.911 123.446 120.500 0.058 0.000 2.575 339 R HA 0.312 4.651 4.340 -0.002 0.000 0.281 339 R C 1.290 177.640 176.300 0.083 0.000 1.272 339 R CA 0.472 56.638 56.100 0.111 0.000 1.417 339 R CB 0.689 31.049 30.300 0.101 0.000 1.121 339 R HN 1.079 nan 8.270 nan 0.000 0.583 340 S N -0.034 115.713 115.700 0.078 0.000 2.474 340 S HA -0.146 4.322 4.470 -0.002 0.000 0.235 340 S C 1.070 175.701 174.600 0.051 0.000 0.997 340 S CA 1.152 59.387 58.200 0.058 0.000 0.949 340 S CB 0.026 63.258 63.200 0.054 0.000 0.766 340 S HN 0.502 nan 8.310 nan 0.000 0.517 341 D N 1.088 121.522 120.400 0.056 0.000 2.349 341 D HA 0.061 4.700 4.640 -0.002 0.000 0.215 341 D C 1.542 177.833 176.300 -0.015 0.000 1.016 341 D CA 0.184 54.200 54.000 0.026 0.000 0.870 341 D CB -0.207 40.618 40.800 0.043 0.000 0.917 341 D HN 0.508 nan 8.370 nan 0.000 0.524 342 L N -0.987 120.238 121.223 0.004 0.000 2.653 342 L HA 0.451 4.790 4.340 -0.002 0.000 0.230 342 L C 1.124 178.062 176.870 0.113 0.000 1.055 342 L CA 0.288 55.106 54.840 -0.037 0.000 0.880 342 L CB 0.526 42.498 42.059 -0.146 0.000 1.195 342 L HN 0.240 nan 8.230 nan 0.000 0.492 343 G N -0.201 108.687 108.800 0.146 0.000 2.357 343 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.643 343 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.643 343 G C -2.656 172.311 174.900 0.113 0.000 1.358 343 G CA -0.704 44.484 45.100 0.148 0.000 0.986 343 G HN -0.219 nan 8.290 nan 0.000 0.620 344 P HA -0.059 nan 4.420 nan 0.000 0.217 344 P C 1.961 179.206 177.300 -0.092 0.000 1.148 344 P CA 2.278 65.364 63.100 -0.023 0.000 0.828 344 P CB 0.076 31.761 31.700 -0.025 0.000 0.783 345 S N -3.193 112.397 115.700 -0.183 0.000 2.593 345 S HA 0.004 4.473 4.470 -0.002 0.000 0.217 345 S C 1.024 175.314 174.600 -0.517 0.000 0.966 345 S CA 0.093 58.075 58.200 -0.363 0.000 0.914 345 S CB -1.079 61.840 63.200 -0.468 0.000 0.776 345 S HN 0.194 nan 8.310 nan 0.000 0.523 346 Y N 1.931 122.185 120.300 -0.077 0.000 2.555 346 Y HA 0.463 5.012 4.550 -0.002 0.000 0.259 346 Y C 1.641 177.446 175.900 -0.157 0.000 1.179 346 Y CA -0.678 57.365 58.100 -0.095 0.000 1.230 346 Y CB -0.075 38.345 38.460 -0.067 0.000 1.146 346 Y HN 0.376 nan 8.280 nan 0.000 0.526 347 G N -0.086 108.645 108.800 -0.114 0.000 2.651 347 G HA2 0.458 4.416 3.960 -0.002 0.000 0.260 347 G HA3 0.458 4.416 3.960 -0.002 0.000 0.260 347 G C 0.559 175.153 174.900 -0.511 0.000 1.216 347 G CA 0.459 45.391 45.100 -0.281 0.000 0.913 347 G HN 0.547 nan 8.290 nan 0.000 0.535 348 G N -1.212 106.997 108.800 -0.985 0.000 2.501 348 G HA2 -0.154 3.804 3.960 -0.002 0.000 0.213 348 G HA3 -0.154 3.804 3.960 -0.002 0.000 0.213 348 G C -0.321 173.974 174.900 -1.008 0.000 1.158 348 G CA -0.295 43.863 45.100 -1.570 0.000 1.079 348 G HN 0.802 nan 8.290 nan 0.000 0.586 349 W N 2.258 123.397 121.300 -0.268 0.000 2.253 349 W HA 0.564 5.223 4.660 -0.002 0.000 0.322 349 W C 0.429 176.787 176.519 -0.269 0.000 1.342 349 W CA -0.279 56.986 57.345 -0.133 0.000 1.218 349 W CB 0.773 30.238 29.460 0.008 0.000 1.205 349 W HN 0.345 nan 8.180 nan 0.000 0.551 350 Q N 2.900 122.673 119.800 -0.044 0.000 2.321 350 Q HA 0.309 4.647 4.340 -0.002 0.000 0.270 350 Q C -0.585 175.435 176.000 0.033 0.000 1.032 350 Q CA -1.023 54.707 55.803 -0.121 0.000 0.784 350 Q CB 1.846 30.338 28.738 -0.411 0.000 1.264 350 Q HN 0.236 nan 8.270 nan 0.000 0.448 351 V N 3.714 123.663 119.914 0.059 0.000 2.585 351 V HA 0.196 4.315 4.120 -0.002 0.000 0.296 351 V C 0.283 176.396 176.094 0.032 0.000 1.035 351 V CA 0.174 62.507 62.300 0.055 0.000 1.084 351 V CB 0.081 31.846 31.823 -0.097 0.000 0.953 351 V HN 0.554 nan 8.190 nan 0.000 0.483 352 L N 4.540 125.805 121.223 0.069 0.000 2.470 352 L HA 0.573 4.911 4.340 -0.002 0.000 0.268 352 L C -1.079 175.843 176.870 0.087 0.000 0.964 352 L CA -0.356 54.525 54.840 0.069 0.000 0.839 352 L CB 2.242 44.369 42.059 0.113 0.000 1.276 352 L HN 0.558 nan 8.230 nan 0.000 0.403 353 D N 1.844 122.271 120.400 0.045 0.000 2.696 353 D HA 0.511 5.150 4.640 -0.002 0.000 0.251 353 D C 0.136 176.464 176.300 0.046 0.000 1.188 353 D CA -0.274 53.782 54.000 0.093 0.000 0.876 353 D CB 2.506 43.358 40.800 0.088 0.000 1.334 353 D HN 0.565 nan 8.370 nan 0.000 0.540 354 A N 2.600 125.450 122.820 0.050 0.000 2.195 354 A HA 0.133 4.452 4.320 -0.002 0.000 0.210 354 A C 0.978 178.388 177.584 -0.289 0.000 1.165 354 A CA 0.353 52.374 52.037 -0.026 0.000 0.806 354 A CB -0.301 18.748 19.000 0.083 0.000 0.847 354 A HN 0.554 nan 8.150 nan 0.000 0.482 355 T N 0.868 115.225 114.554 -0.328 0.000 2.888 355 T HA 0.355 4.704 4.350 -0.002 0.000 0.301 355 T C -2.522 171.946 174.700 -0.387 0.000 1.001 355 T CA -1.547 60.131 62.100 -0.703 0.000 1.147 355 T CB 0.666 69.527 68.868 -0.012 0.000 0.931 355 T HN 0.191 nan 8.240 nan 0.000 0.541 356 P HA 0.164 nan 4.420 nan 0.000 0.273 356 P C -0.202 176.944 177.300 -0.257 0.000 1.319 356 P CA -0.025 62.835 63.100 -0.400 0.000 0.885 356 P CB 0.889 32.116 31.700 -0.788 0.000 1.015 357 Q N 1.731 121.486 119.800 -0.074 0.000 2.517 357 Q HA 0.138 4.476 4.340 -0.002 0.000 0.188 357 Q C -0.057 175.917 176.000 -0.042 0.000 0.736 357 Q CA 0.156 55.864 55.803 -0.159 0.000 0.834 357 Q CB 0.448 28.863 28.738 -0.539 0.000 1.198 357 Q HN 0.373 nan 8.270 nan 0.000 0.596 358 E N 0.777 120.745 120.200 -0.387 0.000 2.187 358 E HA 0.283 4.631 4.350 -0.002 0.000 0.268 358 E C -1.258 175.121 176.600 -0.369 0.000 0.896 358 E CA -0.275 55.894 56.400 -0.385 0.000 0.766 358 E CB 1.233 30.495 29.700 -0.729 0.000 1.142 358 E HN 0.029 nan 8.360 nan 0.000 0.408 359 R N 1.496 121.721 120.500 -0.458 0.000 2.734 359 R HA 0.287 4.625 4.340 -0.002 0.000 0.266 359 R C -0.470 175.635 176.300 -0.324 0.000 1.044 359 R CA 0.205 55.963 56.100 -0.569 0.000 1.128 359 R CB 0.742 30.686 30.300 -0.593 0.000 1.010 359 R HN 0.270 nan 8.270 nan 0.000 0.461 360 S N 1.385 116.929 115.700 -0.260 0.000 2.775 360 S HA 0.120 4.588 4.470 -0.002 0.000 0.277 360 S C -0.922 173.611 174.600 -0.112 0.000 1.156 360 S CA -0.496 57.616 58.200 -0.146 0.000 1.081 360 S CB 0.605 63.743 63.200 -0.103 0.000 1.054 360 S HN 0.706 nan 8.310 nan 0.000 0.482 361 Q N 2.557 122.306 119.800 -0.084 0.000 2.493 361 Q HA -0.214 4.125 4.340 -0.002 0.000 0.278 361 Q C 0.918 176.869 176.000 -0.083 0.000 1.216 361 Q CA 0.942 56.710 55.803 -0.058 0.000 0.875 361 Q CB -1.776 26.950 28.738 -0.021 0.000 1.262 361 Q HN 1.564 nan 8.270 nan 0.000 0.468 362 G N -2.188 106.536 108.800 -0.126 0.000 2.253 362 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.251 362 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.251 362 G C 0.228 175.012 174.900 -0.193 0.000 0.998 362 G CA 0.506 45.522 45.100 -0.140 0.000 0.621 362 G HN 1.172 nan 8.290 nan 0.000 0.524 363 V N -2.804 116.992 119.914 -0.196 0.000 3.001 363 V HA 0.841 4.960 4.120 -0.002 0.000 0.314 363 V C 0.317 176.257 176.094 -0.257 0.000 1.099 363 V CA -1.837 60.349 62.300 -0.190 0.000 0.989 363 V CB 1.617 33.406 31.823 -0.058 0.000 1.040 363 V HN 0.315 nan 8.190 nan 0.000 0.434 364 F N 3.728 123.638 119.950 -0.066 0.000 2.613 364 F HA 0.423 4.948 4.527 -0.002 0.000 0.341 364 F C 0.875 176.611 175.800 -0.106 0.000 1.288 364 F CA 0.357 58.297 58.000 -0.099 0.000 1.103 364 F CB -0.037 38.911 39.000 -0.087 0.000 1.423 364 F HN 0.774 nan 8.300 nan 0.000 0.651 365 Q N 1.902 121.696 119.800 -0.010 0.000 2.416 365 Q HA 0.720 5.059 4.340 -0.002 0.000 0.281 365 Q C -1.671 174.285 176.000 -0.074 0.000 1.067 365 Q CA -1.099 54.676 55.803 -0.046 0.000 0.809 365 Q CB 2.412 31.099 28.738 -0.085 0.000 1.418 365 Q HN 0.399 nan 8.270 nan 0.000 0.411 366 C N 1.106 120.367 119.300 -0.066 0.000 2.716 366 C HA 0.866 5.324 4.460 -0.002 0.000 0.366 366 C C 0.092 175.064 174.990 -0.030 0.000 1.073 366 C CA 1.117 60.108 59.018 -0.046 0.000 1.260 366 C CB 0.527 28.244 27.740 -0.038 0.000 1.755 366 C HN 1.409 nan 8.230 nan 0.000 0.475 367 G N 6.580 115.382 108.800 0.003 0.000 2.603 367 G HA2 0.082 4.041 3.960 -0.002 0.000 0.686 367 G HA3 0.082 4.041 3.960 -0.002 0.000 0.686 367 G C -3.366 171.493 174.900 -0.069 0.000 1.286 367 G CA -0.431 44.692 45.100 0.038 0.000 0.871 367 G HN 0.706 nan 8.290 nan 0.000 0.568 368 P HA 0.536 nan 4.420 nan 0.000 0.280 368 P C -0.388 177.067 177.300 0.258 0.000 1.244 368 P CA 0.389 63.617 63.100 0.213 0.000 0.784 368 P CB 1.624 33.529 31.700 0.342 0.000 0.913 369 A N 2.434 125.327 122.820 0.121 0.000 2.330 369 A HA 0.440 4.758 4.320 -0.002 0.000 0.313 369 A C 0.244 177.842 177.584 0.022 0.000 1.124 369 A CA -0.706 51.372 52.037 0.069 0.000 0.774 369 A CB 0.780 19.801 19.000 0.036 0.000 1.198 369 A HN 0.463 nan 8.150 nan 0.000 0.465 370 S N 1.869 117.574 115.700 0.009 0.000 2.525 370 S HA 0.174 4.643 4.470 -0.002 0.000 0.285 370 S C 1.377 175.977 174.600 -0.000 0.000 1.283 370 S CA -0.305 57.902 58.200 0.012 0.000 1.072 370 S CB 0.232 63.487 63.200 0.091 0.000 0.867 370 S HN 0.699 nan 8.310 nan 0.000 0.492 371 V N 7.277 127.155 119.914 -0.060 0.000 2.358 371 V HA -0.154 3.965 4.120 -0.002 0.000 0.246 371 V C 2.117 178.137 176.094 -0.123 0.000 1.047 371 V CA 1.752 63.922 62.300 -0.216 0.000 1.035 371 V CB -0.666 30.953 31.823 -0.340 0.000 0.658 371 V HN 0.891 nan 8.190 nan 0.000 0.452 372 I N 1.024 121.578 120.570 -0.028 0.000 2.286 372 I HA -0.176 3.993 4.170 -0.002 0.000 0.248 372 I C 2.546 178.738 176.117 0.124 0.000 1.115 372 I CA 1.730 63.036 61.300 0.011 0.000 1.392 372 I CB -0.849 37.137 38.000 -0.024 0.000 1.065 372 I HN 0.422 nan 8.210 nan 0.000 0.418 373 G N 0.309 109.253 108.800 0.240 0.000 2.422 373 G HA2 -0.137 3.822 3.960 -0.002 0.000 0.218 373 G HA3 -0.137 3.822 3.960 -0.002 0.000 0.218 373 G C 1.706 176.717 174.900 0.187 0.000 1.140 373 G CA 0.565 45.837 45.100 0.286 0.000 0.775 373 G HN 0.233 nan 8.290 nan 0.000 0.545 374 V N 0.535 120.541 119.914 0.154 0.000 2.343 374 V HA -0.138 3.981 4.120 -0.002 0.000 0.247 374 V C 2.749 179.046 176.094 0.338 0.000 1.051 374 V CA 2.043 64.501 62.300 0.262 0.000 1.036 374 V CB -0.444 31.479 31.823 0.166 0.000 0.654 374 V HN 0.383 nan 8.190 nan 0.000 0.451 375 R N 0.003 120.610 120.500 0.179 0.000 2.120 375 R HA -0.148 4.191 4.340 -0.002 0.000 0.234 375 R C 1.949 178.445 176.300 0.326 0.000 1.123 375 R CA 1.338 57.540 56.100 0.169 0.000 0.975 375 R CB 0.009 30.296 30.300 -0.021 0.000 0.866 375 R HN 0.464 nan 8.270 nan 0.000 0.446 376 E N -0.994 119.381 120.200 0.292 0.000 2.474 376 E HA 0.078 4.427 4.350 -0.002 0.000 0.194 376 E C 0.876 177.610 176.600 0.223 0.000 1.041 376 E CA 0.739 57.318 56.400 0.298 0.000 0.874 376 E CB 0.778 30.613 29.700 0.226 0.000 0.914 376 E HN 0.554 nan 8.360 nan 0.000 0.498 377 G N 2.387 111.325 108.800 0.229 0.000 2.147 377 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.244 377 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.244 377 G C -0.164 174.649 174.900 -0.144 0.000 1.005 377 G CA 0.242 45.290 45.100 -0.088 0.000 0.713 377 G HN 0.166 nan 8.290 nan 0.000 0.515 378 D N 0.924 121.310 120.400 -0.025 0.000 3.032 378 D HA 0.188 4.826 4.640 -0.002 0.000 0.241 378 D C 2.096 178.318 176.300 -0.129 0.000 1.196 378 D CA 0.514 54.476 54.000 -0.063 0.000 0.927 378 D CB 0.230 41.031 40.800 0.001 0.000 1.129 378 D HN 0.637 nan 8.370 nan 0.000 0.458 379 V N -0.594 119.211 119.914 -0.182 0.000 3.488 379 V HA -0.163 3.955 4.120 -0.002 0.000 0.273 379 V C 1.862 177.863 176.094 -0.155 0.000 1.209 379 V CA 0.753 62.948 62.300 -0.175 0.000 1.179 379 V CB -0.552 31.119 31.823 -0.255 0.000 0.842 379 V HN 0.227 nan 8.190 nan 0.000 0.515 380 Q N 0.466 120.171 119.800 -0.158 0.000 2.408 380 Q HA 0.204 4.542 4.340 -0.002 0.000 0.205 380 Q C 0.777 176.669 176.000 -0.180 0.000 0.919 380 Q CA 0.253 55.967 55.803 -0.149 0.000 0.932 380 Q CB -0.073 28.587 28.738 -0.130 0.000 1.058 380 Q HN 0.672 nan 8.270 nan 0.000 0.517 381 L N 2.088 123.180 121.223 -0.218 0.000 2.453 381 L HA 0.235 4.573 4.340 -0.002 0.000 0.261 381 L C 0.196 176.889 176.870 -0.296 0.000 1.179 381 L CA -0.533 54.137 54.840 -0.284 0.000 0.813 381 L CB 0.419 42.250 42.059 -0.380 0.000 1.110 381 L HN 0.080 nan 8.230 nan 0.000 0.466 382 N N 0.253 118.689 118.700 -0.440 0.000 2.513 382 N HA 0.464 5.203 4.740 -0.002 0.000 0.274 382 N C -1.308 173.957 175.510 -0.408 0.000 1.189 382 N CA -0.453 52.176 53.050 -0.700 0.000 0.975 382 N CB 0.884 38.390 38.487 -1.635 0.000 1.157 382 N HN 0.200 nan 8.380 nan 0.000 0.465 383 F N -0.068 119.863 119.950 -0.031 0.000 2.561 383 F HA 0.273 4.799 4.527 -0.002 0.000 0.321 383 F C 0.404 176.191 175.800 -0.023 0.000 1.065 383 F CA -0.842 57.142 58.000 -0.026 0.000 0.934 383 F CB 1.228 40.219 39.000 -0.015 0.000 1.215 383 F HN 0.426 nan 8.300 nan 0.000 0.471 384 D N 1.540 122.029 120.400 0.149 0.000 2.792 384 D HA -0.208 4.430 4.640 -0.002 0.000 0.231 384 D C 1.425 177.780 176.300 0.092 0.000 1.160 384 D CA 0.516 54.581 54.000 0.108 0.000 0.697 384 D CB -0.515 40.356 40.800 0.118 0.000 1.070 384 D HN 0.429 nan 8.370 nan 0.000 0.426 385 M N -1.252 118.370 119.600 0.036 0.000 2.065 385 M HA -0.125 4.354 4.480 -0.002 0.000 0.259 385 M C -0.485 175.848 176.300 0.056 0.000 1.069 385 M CA 1.938 57.254 55.300 0.027 0.000 1.110 385 M CB -2.048 30.530 32.600 -0.036 0.000 1.328 385 M HN 0.067 nan 8.290 nan 0.000 0.405 386 P HA -0.215 nan 4.420 nan 0.000 0.216 386 P C 1.662 179.021 177.300 0.098 0.000 1.157 386 P CA 1.400 64.520 63.100 0.034 0.000 0.880 386 P CB -0.380 31.326 31.700 0.010 0.000 0.791 387 F N -0.220 119.714 119.950 -0.026 0.000 2.102 387 F HA -0.128 4.398 4.527 -0.002 0.000 0.298 387 F C 2.036 177.787 175.800 -0.082 0.000 1.105 387 F CA 1.398 59.361 58.000 -0.062 0.000 1.239 387 F CB -0.820 38.113 39.000 -0.111 0.000 0.991 387 F HN -0.220 nan 8.300 nan 0.000 0.474 388 I N -0.994 119.423 120.570 -0.255 0.000 2.439 388 I HA -0.248 3.920 4.170 -0.002 0.000 0.251 388 I C 2.271 178.252 176.117 -0.226 0.000 1.139 388 I CA 1.015 62.073 61.300 -0.403 0.000 1.438 388 I CB -0.565 37.292 38.000 -0.239 0.000 1.085 388 I HN 0.165 nan 8.210 nan 0.000 0.427 389 F N 1.806 121.656 119.950 -0.167 0.000 2.102 389 F HA -0.247 4.279 4.527 -0.002 0.000 0.298 389 F C 2.502 178.253 175.800 -0.082 0.000 1.105 389 F CA 1.600 59.559 58.000 -0.067 0.000 1.239 389 F CB -0.209 38.764 39.000 -0.044 0.000 0.991 389 F HN 0.003 nan 8.300 nan 0.000 0.474 390 A N -0.029 122.816 122.820 0.041 0.000 1.933 390 A HA -0.193 4.126 4.320 -0.002 0.000 0.218 390 A C 2.098 179.570 177.584 -0.186 0.000 1.175 390 A CA 1.749 53.769 52.037 -0.027 0.000 0.628 390 A CB -0.876 18.109 19.000 -0.024 0.000 0.814 390 A HN 0.543 nan 8.150 nan 0.000 0.444 391 E N -0.402 119.564 120.200 -0.389 0.000 2.097 391 E HA -0.194 4.154 4.350 -0.002 0.000 0.196 391 E C 1.950 178.459 176.600 -0.151 0.000 1.000 391 E CA 2.045 58.224 56.400 -0.368 0.000 0.804 391 E CB -0.312 29.063 29.700 -0.542 0.000 0.740 391 E HN 0.691 nan 8.360 nan 0.000 0.454 392 V N -2.213 117.610 119.914 -0.152 0.000 3.471 392 V HA 0.174 4.293 4.120 -0.002 0.000 0.258 392 V C 0.802 176.808 176.094 -0.146 0.000 1.192 392 V CA 0.630 62.870 62.300 -0.100 0.000 1.116 392 V CB 0.251 32.032 31.823 -0.070 0.000 0.792 392 V HN 0.034 nan 8.190 nan 0.000 0.459 393 N N 0.960 119.528 118.700 -0.221 0.000 2.598 393 N HA 0.568 5.306 4.740 -0.002 0.000 0.295 393 N C -0.338 175.228 175.510 0.093 0.000 1.729 393 N CA 0.459 53.416 53.050 -0.155 0.000 0.877 393 N CB 0.952 39.198 38.487 -0.400 0.000 1.405 393 N HN 0.667 nan 8.380 nan 0.000 0.491 394 A N -0.153 122.719 122.820 0.088 0.000 2.303 394 A HA 0.537 4.855 4.320 -0.002 0.000 0.317 394 A C -0.329 177.322 177.584 0.111 0.000 1.149 394 A CA -0.522 51.635 52.037 0.200 0.000 0.822 394 A CB 0.619 19.685 19.000 0.111 0.000 1.131 394 A HN 0.262 nan 8.150 nan 0.000 0.493 395 D N 0.482 120.967 120.400 0.141 0.000 2.339 395 D HA 0.309 4.948 4.640 -0.002 0.000 0.245 395 D C 0.064 176.373 176.300 0.015 0.000 1.115 395 D CA 0.321 54.314 54.000 -0.011 0.000 0.917 395 D CB 0.854 41.637 40.800 -0.028 0.000 1.192 395 D HN 0.502 nan 8.370 nan 0.000 0.428 396 R N 1.907 122.390 120.500 -0.028 0.000 2.343 396 R HA 0.481 4.819 4.340 -0.002 0.000 0.320 396 R C -0.809 175.463 176.300 -0.046 0.000 0.956 396 R CA -0.557 55.537 56.100 -0.010 0.000 0.836 396 R CB 0.529 30.829 30.300 -0.001 0.000 1.151 396 R HN 0.386 nan 8.270 nan 0.000 0.450 397 I N 3.397 123.944 120.570 -0.038 0.000 2.354 397 I HA 0.253 4.421 4.170 -0.002 0.000 0.292 397 I C -0.120 175.874 176.117 -0.204 0.000 0.989 397 I CA -0.656 60.550 61.300 -0.156 0.000 1.188 397 I CB 2.215 40.152 38.000 -0.106 0.000 1.342 397 I HN 0.523 nan 8.210 nan 0.000 0.457 398 T N 4.767 119.140 114.554 -0.301 0.000 2.795 398 T HA 0.413 4.761 4.350 -0.002 0.000 0.282 398 T C -0.947 173.523 174.700 -0.382 0.000 0.980 398 T CA -0.315 61.677 62.100 -0.181 0.000 1.012 398 T CB 0.546 69.381 68.868 -0.054 0.000 0.936 398 T HN 0.328 nan 8.240 nan 0.000 0.457 399 W N 2.055 123.221 121.300 -0.224 0.000 2.799 399 W HA 0.674 5.333 4.660 -0.002 0.000 0.349 399 W C -0.899 175.517 176.519 -0.171 0.000 1.100 399 W CA -1.021 56.177 57.345 -0.245 0.000 1.174 399 W CB 1.076 30.284 29.460 -0.419 0.000 1.427 399 W HN 0.163 nan 8.180 nan 0.000 0.547 400 L N 2.423 123.547 121.223 -0.165 0.000 2.333 400 L HA 0.399 4.737 4.340 -0.002 0.000 0.280 400 L C -1.392 175.159 176.870 -0.532 0.000 1.004 400 L CA -1.082 53.437 54.840 -0.534 0.000 0.820 400 L CB 1.113 42.379 42.059 -1.322 0.000 1.247 400 L HN 0.569 nan 8.230 nan 0.000 0.416 401 Y N 3.225 123.335 120.300 -0.316 0.000 2.326 401 Y HA 0.293 4.841 4.550 -0.002 0.000 0.329 401 Y C -0.324 175.518 175.900 -0.097 0.000 0.973 401 Y CA -0.565 57.429 58.100 -0.176 0.000 1.162 401 Y CB 1.475 39.887 38.460 -0.080 0.000 1.147 401 Y HN 0.542 nan 8.280 nan 0.000 0.456 402 D N 6.177 126.249 120.400 -0.547 0.000 2.499 402 D HA 0.014 4.653 4.640 -0.002 0.000 0.225 402 D C 0.698 176.617 176.300 -0.635 0.000 1.124 402 D CA 0.087 53.888 54.000 -0.331 0.000 0.938 402 D CB 0.472 41.320 40.800 0.080 0.000 1.014 402 D HN 0.925 nan 8.370 nan 0.000 0.517 403 N N 2.190 120.475 118.700 -0.691 0.000 2.192 403 N HA -0.226 4.513 4.740 -0.002 0.000 0.188 403 N C 1.382 176.786 175.510 -0.177 0.000 1.013 403 N CA 1.789 54.589 53.050 -0.417 0.000 0.863 403 N CB 0.164 38.646 38.487 -0.008 0.000 0.990 403 N HN 0.418 nan 8.380 nan 0.000 0.430 404 T N -3.009 111.471 114.554 -0.124 0.000 3.098 404 T HA -0.033 4.316 4.350 -0.002 0.000 0.266 404 T C 1.460 176.132 174.700 -0.048 0.000 1.145 404 T CA 1.547 63.614 62.100 -0.055 0.000 1.092 404 T CB -0.347 68.505 68.868 -0.027 0.000 0.908 404 T HN 0.374 nan 8.240 nan 0.000 0.526 405 T N -4.651 109.855 114.554 -0.079 0.000 3.080 405 T HA 0.514 4.863 4.350 -0.002 0.000 0.280 405 T C 1.796 176.480 174.700 -0.027 0.000 0.926 405 T CA 0.472 62.551 62.100 -0.035 0.000 0.883 405 T CB -0.068 68.797 68.868 -0.004 0.000 1.194 405 T HN 0.803 nan 8.240 nan 0.000 0.541 406 G N 2.387 111.131 108.800 -0.093 0.000 2.189 406 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.267 406 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.267 406 G C 0.011 174.971 174.900 0.100 0.000 0.975 406 G CA 0.335 45.448 45.100 0.022 0.000 0.644 406 G HN 0.652 nan 8.290 nan 0.000 0.537 407 K N 0.909 121.342 120.400 0.056 0.000 2.218 407 K HA 0.517 4.836 4.320 -0.002 0.000 0.276 407 K C 0.597 177.444 176.600 0.411 0.000 1.022 407 K CA -0.034 56.410 56.287 0.262 0.000 0.946 407 K CB 1.177 33.852 32.500 0.292 0.000 1.000 407 K HN 0.848 nan 8.250 nan 0.000 0.468 408 Q N 0.929 121.073 119.800 0.573 0.000 2.345 408 Q HA 0.701 5.040 4.340 -0.002 0.000 0.275 408 Q C -1.457 175.011 176.000 0.779 0.000 1.063 408 Q CA -1.118 55.020 55.803 0.558 0.000 0.819 408 Q CB 1.669 30.686 28.738 0.464 0.000 1.356 408 Q HN 0.648 nan 8.270 nan 0.000 0.418 409 W N 0.220 121.821 121.300 0.501 0.000 3.129 409 W HA 0.571 5.229 4.660 -0.002 0.000 0.333 409 W C -1.112 175.565 176.519 0.263 0.000 1.141 409 W CA -1.177 56.413 57.345 0.408 0.000 1.224 409 W CB 1.277 30.853 29.460 0.195 0.000 1.393 409 W HN 0.600 nan 8.180 nan 0.000 0.499 410 K N 2.876 123.296 120.400 0.035 0.000 2.447 410 K HA -0.088 4.231 4.320 -0.002 0.000 0.281 410 K C 0.828 177.264 176.600 -0.272 0.000 1.031 410 K CA 0.385 56.230 56.287 -0.735 0.000 1.019 410 K CB 0.498 32.572 32.500 -0.710 0.000 0.918 410 K HN 0.719 nan 8.250 nan 0.000 0.476 411 N N 1.407 119.900 118.700 -0.345 0.000 2.499 411 N HA -0.040 4.698 4.740 -0.002 0.000 0.182 411 N C -0.656 174.764 175.510 -0.150 0.000 1.034 411 N CA 0.620 53.587 53.050 -0.138 0.000 0.882 411 N CB 0.500 38.924 38.487 -0.106 0.000 1.125 411 N HN 0.613 nan 8.380 nan 0.000 0.436 412 S N -0.818 114.744 115.700 -0.229 0.000 2.611 412 S HA 0.558 5.027 4.470 -0.002 0.000 0.268 412 S C -1.409 173.071 174.600 -0.200 0.000 1.156 412 S CA -0.766 57.332 58.200 -0.169 0.000 0.817 412 S CB 2.033 65.169 63.200 -0.107 0.000 1.122 412 S HN -0.143 nan 8.310 nan 0.000 0.466 413 V N 2.285 122.110 119.914 -0.148 0.000 2.524 413 V HA 0.577 4.695 4.120 -0.002 0.000 0.297 413 V C -1.025 174.992 176.094 -0.128 0.000 1.035 413 V CA -0.620 61.594 62.300 -0.143 0.000 0.867 413 V CB 1.667 33.408 31.823 -0.138 0.000 1.004 413 V HN 0.935 nan 8.190 nan 0.000 0.426 414 N N 2.596 121.223 118.700 -0.121 0.000 2.476 414 N HA 0.222 4.961 4.740 -0.002 0.000 0.257 414 N C 0.713 176.100 175.510 -0.206 0.000 0.970 414 N CA -0.044 52.928 53.050 -0.129 0.000 0.938 414 N CB 2.109 40.557 38.487 -0.064 0.000 1.144 414 N HN 0.684 nan 8.380 nan 0.000 0.500 415 S N 2.449 117.917 115.700 -0.387 0.000 2.577 415 S HA 0.145 4.614 4.470 -0.002 0.000 0.219 415 S C 0.373 174.602 174.600 -0.619 0.000 0.962 415 S CA -0.013 57.857 58.200 -0.551 0.000 0.921 415 S CB -0.150 62.634 63.200 -0.693 0.000 0.789 415 S HN 0.607 nan 8.310 nan 0.000 0.497 416 H N -0.302 118.706 119.070 -0.104 0.000 3.360 416 H HA 0.282 4.836 4.556 -0.002 0.000 0.262 416 H C 1.743 177.027 175.328 -0.074 0.000 1.149 416 H CA 0.560 56.554 56.048 -0.089 0.000 1.181 416 H CB -0.002 29.714 29.762 -0.078 0.000 1.564 416 H HN 0.451 nan 8.280 nan 0.000 0.565 417 T N 0.674 115.243 114.554 0.025 0.000 2.951 417 T HA 0.094 4.443 4.350 -0.002 0.000 0.268 417 T C 0.948 175.656 174.700 0.014 0.000 1.073 417 T CA 0.261 62.372 62.100 0.018 0.000 1.134 417 T CB -0.228 68.653 68.868 0.022 0.000 0.884 417 T HN 0.080 nan 8.240 nan 0.000 0.479 418 I N 1.124 121.696 120.570 0.003 0.000 2.472 418 I HA 0.438 4.607 4.170 -0.002 0.000 0.290 418 I C 0.970 177.083 176.117 -0.008 0.000 1.016 418 I CA 0.063 61.369 61.300 0.011 0.000 1.348 418 I CB 1.121 39.124 38.000 0.004 0.000 1.417 418 I HN 0.353 nan 8.210 nan 0.000 0.521 419 G N 5.401 114.206 108.800 0.007 0.000 2.636 419 G HA2 -0.206 3.752 3.960 -0.002 0.000 0.261 419 G HA3 -0.206 3.752 3.960 -0.002 0.000 0.261 419 G C -0.463 174.411 174.900 -0.045 0.000 1.018 419 G CA -0.579 44.511 45.100 -0.016 0.000 1.308 419 G HN 0.682 nan 8.290 nan 0.000 0.514 420 R N -0.061 120.422 120.500 -0.029 0.000 2.771 420 R HA 0.544 4.883 4.340 -0.002 0.000 0.274 420 R C 0.308 176.582 176.300 -0.044 0.000 0.987 420 R CA -1.207 54.777 56.100 -0.193 0.000 0.908 420 R CB 1.347 31.403 30.300 -0.407 0.000 1.213 420 R HN 0.586 nan 8.270 nan 0.000 0.468 421 Y N 0.384 120.692 120.300 0.013 0.000 3.225 421 Y HA -0.248 4.301 4.550 -0.002 0.000 0.211 421 Y C 0.184 176.129 175.900 0.075 0.000 1.223 421 Y CA -0.313 57.763 58.100 -0.040 0.000 1.284 421 Y CB -1.614 36.696 38.460 -0.251 0.000 1.367 421 Y HN 0.473 nan 8.280 nan 0.000 0.566 422 I N 1.340 121.973 120.570 0.105 0.000 2.664 422 I HA -0.010 4.159 4.170 -0.002 0.000 0.284 422 I C 0.547 176.627 176.117 -0.061 0.000 1.154 422 I CA 0.794 62.070 61.300 -0.040 0.000 1.402 422 I CB 0.336 38.228 38.000 -0.180 0.000 1.395 422 I HN 0.174 nan 8.210 nan 0.000 0.545 423 S N 4.126 119.765 115.700 -0.101 0.000 2.599 423 S HA 0.721 5.189 4.470 -0.002 0.000 0.294 423 S C -0.258 174.236 174.600 -0.177 0.000 1.094 423 S CA -0.731 57.332 58.200 -0.228 0.000 0.931 423 S CB 2.510 65.429 63.200 -0.468 0.000 1.093 423 S HN 0.693 nan 8.310 nan 0.000 0.488 424 T N 0.675 115.135 114.554 -0.157 0.000 2.889 424 T HA 0.396 4.745 4.350 -0.002 0.000 0.315 424 T C -1.311 173.524 174.700 0.224 0.000 1.291 424 T CA -0.776 61.355 62.100 0.053 0.000 1.028 424 T CB 1.244 70.067 68.868 -0.074 0.000 1.235 424 T HN 0.657 nan 8.240 nan 0.000 0.491 425 K N 2.184 122.818 120.400 0.391 0.000 2.485 425 K HA 0.520 4.839 4.320 -0.002 0.000 0.277 425 K C 0.286 177.008 176.600 0.203 0.000 0.990 425 K CA -0.209 56.300 56.287 0.371 0.000 0.994 425 K CB 0.360 33.002 32.500 0.237 0.000 0.906 425 K HN 0.684 nan 8.250 nan 0.000 0.488 426 A N 3.200 126.114 122.820 0.158 0.000 2.366 426 A HA 0.218 4.536 4.320 -0.002 0.000 0.249 426 A C -0.411 177.196 177.584 0.038 0.000 1.084 426 A CA -0.644 51.440 52.037 0.079 0.000 0.794 426 A CB 0.671 19.704 19.000 0.055 0.000 1.034 426 A HN 0.548 nan 8.150 nan 0.000 0.491 427 V N 1.871 121.776 119.914 -0.015 0.000 2.446 427 V HA 0.441 4.560 4.120 -0.002 0.000 0.276 427 V C 1.524 177.576 176.094 -0.070 0.000 1.030 427 V CA 1.578 63.813 62.300 -0.107 0.000 1.033 427 V CB -0.142 31.577 31.823 -0.173 0.000 0.993 427 V HN 1.861 nan 8.190 nan 0.000 0.477 428 G N 4.162 112.923 108.800 -0.065 0.000 2.199 428 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.254 428 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.254 428 G C 0.263 175.159 174.900 -0.007 0.000 0.982 428 G CA 0.560 45.638 45.100 -0.036 0.000 0.632 428 G HN 1.390 nan 8.290 nan 0.000 0.529 429 S N -1.778 113.927 115.700 0.008 0.000 2.776 429 S HA 0.587 5.056 4.470 -0.002 0.000 0.292 429 S C 0.198 174.823 174.600 0.041 0.000 1.187 429 S CA 0.008 58.220 58.200 0.020 0.000 0.834 429 S CB 0.929 64.139 63.200 0.017 0.000 1.199 429 S HN 0.176 nan 8.310 nan 0.000 0.514 430 N N 0.278 119.003 118.700 0.041 0.000 2.270 430 N HA 0.336 5.075 4.740 -0.002 0.000 0.198 430 N C 0.468 176.055 175.510 0.129 0.000 1.117 430 N CA -0.008 53.074 53.050 0.054 0.000 0.845 430 N CB 0.337 38.826 38.487 0.004 0.000 0.980 430 N HN 0.761 nan 8.380 nan 0.000 0.486 431 A N 1.490 124.375 122.820 0.108 0.000 2.466 431 A HA 0.080 4.399 4.320 -0.002 0.000 0.238 431 A C 0.493 178.187 177.584 0.183 0.000 1.074 431 A CA -0.021 52.082 52.037 0.109 0.000 0.774 431 A CB 0.302 19.328 19.000 0.043 0.000 1.015 431 A HN 0.303 nan 8.150 nan 0.000 0.498 432 R N 1.857 122.398 120.500 0.069 0.000 2.234 432 R HA 0.310 4.649 4.340 -0.002 0.000 0.324 432 R C -0.759 175.409 176.300 -0.220 0.000 1.054 432 R CA -0.443 55.508 56.100 -0.248 0.000 0.912 432 R CB 0.363 30.319 30.300 -0.574 0.000 1.030 432 R HN 0.698 nan 8.270 nan 0.000 0.455 433 M N 4.171 123.647 119.600 -0.207 0.000 2.063 433 M HA 0.126 4.605 4.480 -0.002 0.000 0.348 433 M C -0.830 175.371 176.300 -0.165 0.000 1.180 433 M CA -0.531 54.699 55.300 -0.118 0.000 1.059 433 M CB 1.028 33.606 32.600 -0.037 0.000 1.544 433 M HN 0.610 nan 8.290 nan 0.000 0.447 434 D N 4.212 124.540 120.400 -0.121 0.000 2.295 434 D HA 0.255 4.894 4.640 -0.002 0.000 0.248 434 D C 0.271 176.551 176.300 -0.034 0.000 1.154 434 D CA -0.037 53.911 54.000 -0.087 0.000 0.857 434 D CB 1.193 41.963 40.800 -0.050 0.000 1.117 434 D HN 0.516 nan 8.370 nan 0.000 0.468 435 V N 1.342 121.248 119.914 -0.015 0.000 2.988 435 V HA 0.155 4.274 4.120 -0.002 0.000 0.356 435 V C 1.388 177.552 176.094 0.116 0.000 1.380 435 V CA -0.326 61.999 62.300 0.043 0.000 1.184 435 V CB -0.006 31.844 31.823 0.046 0.000 1.204 435 V HN 0.426 nan 8.190 nan 0.000 0.530 436 T N 1.854 116.449 114.554 0.069 0.000 2.746 436 T HA -0.185 4.164 4.350 -0.002 0.000 0.267 436 T C 1.592 176.344 174.700 0.087 0.000 1.039 436 T CA 2.252 64.398 62.100 0.076 0.000 1.142 436 T CB -0.401 68.478 68.868 0.018 0.000 0.866 436 T HN 0.865 nan 8.240 nan 0.000 0.444 437 D N 1.183 121.610 120.400 0.044 0.000 2.384 437 D HA -0.117 4.521 4.640 -0.002 0.000 0.222 437 D C 1.661 177.951 176.300 -0.018 0.000 0.976 437 D CA 0.718 54.719 54.000 0.002 0.000 0.915 437 D CB -0.080 40.716 40.800 -0.008 0.000 0.896 437 D HN 0.212 nan 8.370 nan 0.000 0.523 438 K N -0.388 120.038 120.400 0.044 0.000 2.284 438 K HA -0.003 4.316 4.320 -0.002 0.000 0.198 438 K C 1.447 178.009 176.600 -0.064 0.000 1.048 438 K CA 0.350 56.632 56.287 -0.008 0.000 0.987 438 K CB -0.253 32.256 32.500 0.015 0.000 0.800 438 K HN 0.286 nan 8.250 nan 0.000 0.486 439 Y N 1.534 121.831 120.300 -0.004 0.000 2.500 439 Y HA 0.051 4.599 4.550 -0.002 0.000 0.270 439 Y C 0.573 176.460 175.900 -0.022 0.000 1.134 439 Y CA 0.172 58.279 58.100 0.012 0.000 1.293 439 Y CB 0.505 38.989 38.460 0.040 0.000 1.063 439 Y HN -0.049 nan 8.280 nan 0.000 0.534 440 K N -2.323 118.128 120.400 0.086 0.000 2.625 440 K HA 0.220 4.538 4.320 -0.002 0.000 0.284 440 K C -1.728 174.877 176.600 0.009 0.000 0.984 440 K CA -0.907 55.421 56.287 0.068 0.000 0.865 440 K CB 0.611 33.154 32.500 0.072 0.000 1.468 440 K HN -0.171 nan 8.250 nan 0.000 0.407 441 Y N 0.900 121.247 120.300 0.079 0.000 2.357 441 Y HA 0.202 4.751 4.550 -0.002 0.000 0.340 441 Y C -1.904 174.022 175.900 0.043 0.000 1.260 441 Y CA -1.388 56.749 58.100 0.063 0.000 1.425 441 Y CB 0.298 38.802 38.460 0.073 0.000 1.326 441 Y HN 0.427 nan 8.280 nan 0.000 0.580 442 P HA -0.093 nan 4.420 nan 0.000 0.261 442 P C -0.742 176.597 177.300 0.064 0.000 1.173 442 P CA 0.322 63.471 63.100 0.082 0.000 0.760 442 P CB 0.408 32.146 31.700 0.063 0.000 0.783 443 E N 2.510 122.716 120.200 0.011 0.000 2.415 443 E HA 0.197 4.546 4.350 -0.002 0.000 0.260 443 E C 1.505 178.003 176.600 -0.170 0.000 1.016 443 E CA 1.259 57.646 56.400 -0.023 0.000 0.924 443 E CB 0.139 29.806 29.700 -0.055 0.000 0.961 443 E HN 0.758 nan 8.360 nan 0.000 0.459 444 G N 3.000 111.712 108.800 -0.146 0.000 2.659 444 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.202 444 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.202 444 G C 0.432 175.318 174.900 -0.023 0.000 1.186 444 G CA 0.071 45.071 45.100 -0.166 0.000 0.783 444 G HN 0.724 nan 8.290 nan 0.000 0.521 445 S N 1.205 116.908 115.700 0.004 0.000 2.549 445 S HA 0.269 4.738 4.470 -0.002 0.000 0.278 445 S C 0.792 175.407 174.600 0.025 0.000 1.344 445 S CA 1.015 59.231 58.200 0.026 0.000 1.025 445 S CB 0.891 64.130 63.200 0.065 0.000 0.851 445 S HN 0.297 nan 8.310 nan 0.000 0.530 446 D N 1.203 121.604 120.400 0.003 0.000 2.249 446 D HA -0.028 4.611 4.640 -0.002 0.000 0.205 446 D C 1.957 178.231 176.300 -0.043 0.000 0.962 446 D CA 0.877 54.873 54.000 -0.008 0.000 0.860 446 D CB -0.262 40.531 40.800 -0.013 0.000 0.955 446 D HN 0.608 nan 8.370 nan 0.000 0.505 447 Q N 0.942 120.673 119.800 -0.114 0.000 2.096 447 Q HA -0.150 4.189 4.340 -0.002 0.000 0.204 447 Q C 1.938 177.829 176.000 -0.183 0.000 0.982 447 Q CA 0.861 56.475 55.803 -0.315 0.000 0.850 447 Q CB -0.295 27.986 28.738 -0.762 0.000 0.901 447 Q HN 0.231 nan 8.270 nan 0.000 0.422 448 E N 0.347 120.546 120.200 -0.003 0.000 2.130 448 E HA -0.225 4.124 4.350 -0.002 0.000 0.196 448 E C 1.534 178.227 176.600 0.154 0.000 0.998 448 E CA 1.103 57.588 56.400 0.141 0.000 0.806 448 E CB 0.229 30.019 29.700 0.150 0.000 0.738 448 E HN 0.161 nan 8.360 nan 0.000 0.459 449 R N 0.072 120.629 120.500 0.095 0.000 2.100 449 R HA 0.051 4.389 4.340 -0.002 0.000 0.220 449 R C 2.404 178.798 176.300 0.157 0.000 1.091 449 R CA 0.735 56.909 56.100 0.124 0.000 0.986 449 R CB -0.605 29.731 30.300 0.061 0.000 0.888 449 R HN 0.363 nan 8.270 nan 0.000 0.444 450 Q N 0.232 120.073 119.800 0.068 0.000 2.084 450 Q HA -0.063 4.276 4.340 -0.002 0.000 0.202 450 Q C 2.046 178.084 176.000 0.064 0.000 0.978 450 Q CA 1.522 57.347 55.803 0.037 0.000 0.844 450 Q CB -0.137 28.580 28.738 -0.035 0.000 0.898 450 Q HN 0.049 nan 8.270 nan 0.000 0.426 451 V N 0.513 120.483 119.914 0.094 0.000 2.427 451 V HA -0.221 3.897 4.120 -0.002 0.000 0.248 451 V C 1.894 178.120 176.094 0.219 0.000 1.051 451 V CA 1.532 63.928 62.300 0.160 0.000 1.048 451 V CB -0.600 31.397 31.823 0.289 0.000 0.666 451 V HN 0.272 nan 8.190 nan 0.000 0.456 452 F N 1.018 121.071 119.950 0.173 0.000 2.102 452 F HA -0.190 4.336 4.527 -0.002 0.000 0.298 452 F C 2.586 178.419 175.800 0.055 0.000 1.105 452 F CA 1.772 59.889 58.000 0.195 0.000 1.239 452 F CB -0.167 38.933 39.000 0.166 0.000 0.991 452 F HN 0.099 nan 8.300 nan 0.000 0.474 453 Q N 0.640 120.529 119.800 0.149 0.000 2.119 453 Q HA -0.197 4.142 4.340 -0.002 0.000 0.201 453 Q C 2.250 178.201 176.000 -0.082 0.000 0.972 453 Q CA 1.486 57.300 55.803 0.019 0.000 0.847 453 Q CB -0.670 28.116 28.738 0.081 0.000 0.903 453 Q HN 0.507 nan 8.270 nan 0.000 0.433 454 K N 0.630 120.991 120.400 -0.065 0.000 2.026 454 K HA -0.121 4.198 4.320 -0.002 0.000 0.208 454 K C 2.000 178.483 176.600 -0.194 0.000 1.048 454 K CA 1.349 57.578 56.287 -0.097 0.000 0.929 454 K CB -0.067 32.397 32.500 -0.060 0.000 0.713 454 K HN 0.103 nan 8.250 nan 0.000 0.439 455 A N 1.445 124.074 122.820 -0.319 0.000 1.877 455 A HA -0.150 4.169 4.320 -0.002 0.000 0.216 455 A C 2.083 179.418 177.584 -0.416 0.000 1.186 455 A CA 1.349 53.076 52.037 -0.516 0.000 0.620 455 A CB -0.732 17.625 19.000 -1.071 0.000 0.822 455 A HN 0.391 nan 8.150 nan 0.000 0.443 456 L N 0.306 121.271 121.223 -0.429 0.000 2.079 456 L HA -0.087 4.252 4.340 -0.002 0.000 0.210 456 L C 2.389 179.139 176.870 -0.199 0.000 1.081 456 L CA 2.201 56.839 54.840 -0.336 0.000 0.752 456 L CB -1.078 40.760 42.059 -0.368 0.000 0.896 456 L HN 0.337 nan 8.230 nan 0.000 0.433 457 G N -1.209 107.491 108.800 -0.166 0.000 2.422 457 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.218 457 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.218 457 G C 1.664 176.497 174.900 -0.112 0.000 1.140 457 G CA 0.600 45.633 45.100 -0.111 0.000 0.775 457 G HN 0.412 nan 8.290 nan 0.000 0.545 458 K N -0.311 120.002 120.400 -0.145 0.000 2.283 458 K HA 0.139 4.457 4.320 -0.002 0.000 0.202 458 K C 1.021 177.550 176.600 -0.119 0.000 1.048 458 K CA -0.041 56.167 56.287 -0.132 0.000 0.948 458 K CB -0.112 32.292 32.500 -0.161 0.000 0.742 458 K HN 0.286 nan 8.250 nan 0.000 0.458 474 E N 2.462 122.681 120.200 0.031 0.000 2.235 474 E HA 0.705 5.054 4.350 -0.002 0.000 0.265 474 E C -0.798 175.810 176.600 0.013 0.000 0.940 474 E CA -0.902 55.511 56.400 0.023 0.000 0.819 474 E CB 1.930 31.635 29.700 0.008 0.000 1.206 474 E HN 0.493 nan 8.360 nan 0.000 0.409 475 T N 1.739 116.299 114.554 0.009 0.000 2.893 475 T HA 0.150 4.499 4.350 -0.002 0.000 0.324 475 T C -0.610 174.090 174.700 -0.001 0.000 1.082 475 T CA -0.658 61.444 62.100 0.004 0.000 0.983 475 T CB 0.324 69.194 68.868 0.003 0.000 1.005 475 T HN 0.354 nan 8.240 nan 0.000 0.475 476 E N 3.335 123.532 120.200 -0.004 0.000 2.491 476 E HA 0.020 4.369 4.350 -0.002 0.000 0.250 476 E C 0.471 177.067 176.600 -0.006 0.000 1.061 476 E CA 0.278 56.673 56.400 -0.008 0.000 0.942 476 E CB 0.722 30.417 29.700 -0.009 0.000 0.957 476 E HN 0.582 nan 8.360 nan 0.000 0.480 477 E N 2.476 122.673 120.200 -0.005 0.000 2.405 477 E HA 0.002 4.351 4.350 -0.002 0.000 0.253 477 E C 0.245 176.843 176.600 -0.004 0.000 1.257 477 E CA -0.362 56.036 56.400 -0.004 0.000 0.960 477 E CB 0.467 30.166 29.700 -0.002 0.000 1.077 477 E HN 0.472 nan 8.360 nan 0.000 0.512 478 Q N 0.398 120.196 119.800 -0.003 0.000 2.318 478 Q HA 0.159 4.498 4.340 -0.002 0.000 0.222 478 Q C -0.425 175.574 176.000 -0.002 0.000 1.003 478 Q CA -0.803 54.999 55.803 -0.002 0.000 0.936 478 Q CB 0.410 29.147 28.738 -0.002 0.000 1.204 478 Q HN 0.161 nan 8.270 nan 0.000 0.524 479 E N 1.488 121.687 120.200 -0.002 0.000 2.900 479 E HA -0.040 4.308 4.350 -0.002 0.000 0.259 479 E C -2.074 174.526 176.600 0.000 0.000 0.918 479 E CA -0.648 55.751 56.400 -0.001 0.000 0.960 479 E CB -0.463 29.237 29.700 -0.000 0.000 0.908 479 E HN 0.433 nan 8.360 nan 0.000 0.511 480 P HA -0.044 nan 4.420 nan 0.000 0.260 480 P C 0.812 178.115 177.300 0.004 0.000 1.185 480 P CA 0.322 63.424 63.100 0.003 0.000 0.763 480 P CB 0.641 32.342 31.700 0.002 0.000 0.776 481 S N 3.822 119.525 115.700 0.005 0.000 2.387 481 S HA -0.080 4.389 4.470 -0.002 0.000 0.230 481 S C 0.950 175.554 174.600 0.007 0.000 1.035 481 S CA 0.938 59.142 58.200 0.006 0.000 1.014 481 S CB -0.251 62.953 63.200 0.006 0.000 0.836 481 S HN 0.272 nan 8.310 nan 0.000 0.466 482 I N 2.641 123.216 120.570 0.008 0.000 2.460 482 I HA 0.446 4.615 4.170 -0.002 0.000 0.298 482 I C -0.013 176.109 176.117 0.009 0.000 0.989 482 I CA -0.930 60.376 61.300 0.010 0.000 1.173 482 I CB 1.458 39.465 38.000 0.012 0.000 1.338 482 I HN 0.294 nan 8.210 nan 0.000 0.456 483 I N 1.748 122.324 120.570 0.010 0.000 2.689 483 I HA 0.959 5.128 4.170 -0.002 0.000 0.299 483 I C -0.188 175.936 176.117 0.013 0.000 1.059 483 I CA -0.529 60.777 61.300 0.009 0.000 1.055 483 I CB 2.344 40.349 38.000 0.008 0.000 1.243 483 I HN 0.540 nan 8.210 nan 0.000 0.425 484 G N 3.401 112.208 108.800 0.011 0.000 2.619 484 G HA2 0.657 4.615 3.960 -0.002 0.000 0.296 484 G HA3 0.657 4.615 3.960 -0.002 0.000 0.296 484 G C -1.783 173.127 174.900 0.017 0.000 1.334 484 G CA -0.625 44.485 45.100 0.017 0.000 0.934 484 G HN 0.616 nan 8.290 nan 0.000 0.476 485 K N 0.614 121.028 120.400 0.023 0.000 2.542 485 K HA 0.404 4.722 4.320 -0.002 0.000 0.259 485 K C -1.717 174.900 176.600 0.029 0.000 0.932 485 K CA -0.631 55.670 56.287 0.023 0.000 0.820 485 K CB 2.079 34.592 32.500 0.020 0.000 1.345 485 K HN 0.414 nan 8.250 nan 0.000 0.432 486 L N 4.039 125.280 121.223 0.030 0.000 2.287 486 L HA 0.492 4.831 4.340 -0.002 0.000 0.287 486 L C -0.033 176.850 176.870 0.022 0.000 1.022 486 L CA -0.582 54.276 54.840 0.030 0.000 0.814 486 L CB 1.379 43.460 42.059 0.036 0.000 1.217 486 L HN 0.364 nan 8.230 nan 0.000 0.420 487 K N 2.719 123.128 120.400 0.015 0.000 2.259 487 K HA 0.582 4.901 4.320 -0.002 0.000 0.249 487 K C -1.047 175.552 176.600 -0.002 0.000 0.942 487 K CA -0.918 55.374 56.287 0.009 0.000 0.816 487 K CB 2.989 35.494 32.500 0.008 0.000 1.155 487 K HN 0.172 nan 8.250 nan 0.000 0.428 488 V N 1.860 121.772 119.914 -0.002 0.000 2.498 488 V HA 0.292 4.411 4.120 -0.002 0.000 0.279 488 V C -0.107 175.981 176.094 -0.011 0.000 1.048 488 V CA -0.527 61.768 62.300 -0.010 0.000 0.967 488 V CB 1.109 32.929 31.823 -0.005 0.000 0.988 488 V HN 0.879 nan 8.190 nan 0.000 0.473 489 A N 4.512 127.321 122.820 -0.017 0.000 2.256 489 A HA 0.830 5.149 4.320 -0.002 0.000 0.317 489 A C 0.633 178.211 177.584 -0.011 0.000 1.318 489 A CA 0.335 52.363 52.037 -0.014 0.000 0.894 489 A CB 0.237 19.226 19.000 -0.019 0.000 1.165 489 A HN 1.890 nan 8.150 nan 0.000 0.525 490 G N 1.637 110.433 108.800 -0.007 0.000 2.615 490 G HA2 0.048 4.007 3.960 -0.002 0.000 0.218 490 G HA3 0.048 4.007 3.960 -0.002 0.000 0.218 490 G C 0.010 174.908 174.900 -0.002 0.000 1.339 490 G CA -0.035 45.062 45.100 -0.004 0.000 0.884 490 G HN 2.013 nan 8.290 nan 0.000 0.559 491 M N -0.783 118.818 119.600 0.002 0.000 2.478 491 M HA 0.859 5.338 4.480 -0.002 0.000 0.327 491 M C -0.417 175.891 176.300 0.013 0.000 1.187 491 M CA -0.805 54.497 55.300 0.004 0.000 1.022 491 M CB 1.697 34.298 32.600 0.002 0.000 1.629 491 M HN 0.450 nan 8.290 nan 0.000 0.461 492 L N 2.770 124.000 121.223 0.013 0.000 2.294 492 L HA 0.870 5.209 4.340 -0.002 0.000 0.283 492 L C -0.652 176.238 176.870 0.033 0.000 1.015 492 L CA -0.525 54.326 54.840 0.017 0.000 0.831 492 L CB 1.491 43.550 42.059 0.000 0.000 1.217 492 L HN 0.990 nan 8.230 nan 0.000 0.420 493 A N 2.948 125.807 122.820 0.065 0.000 2.520 493 A HA 0.647 4.966 4.320 -0.002 0.000 0.298 493 A C -0.692 177.003 177.584 0.186 0.000 1.051 493 A CA -0.551 51.541 52.037 0.092 0.000 0.690 493 A CB 1.733 20.769 19.000 0.060 0.000 1.281 493 A HN 0.282 nan 8.150 nan 0.000 0.402 494 V N 2.409 122.473 119.914 0.251 0.000 2.434 494 V HA 0.420 4.538 4.120 -0.002 0.000 0.281 494 V C 1.458 177.807 176.094 0.425 0.000 1.005 494 V CA 2.109 64.683 62.300 0.456 0.000 1.089 494 V CB -0.178 32.009 31.823 0.607 0.000 0.978 494 V HN 2.053 nan 8.190 nan 0.000 0.474 495 G N 4.746 113.769 108.800 0.371 0.000 2.617 495 G HA2 -0.145 3.814 3.960 -0.002 0.000 0.197 495 G HA3 -0.145 3.814 3.960 -0.002 0.000 0.197 495 G C 0.205 175.088 174.900 -0.028 0.000 1.017 495 G CA -0.444 44.561 45.100 -0.157 0.000 0.713 495 G HN 0.553 nan 8.290 nan 0.000 0.481 496 K N 1.958 122.457 120.400 0.165 0.000 2.118 496 K HA 0.486 4.804 4.320 -0.002 0.000 0.267 496 K C 0.624 177.392 176.600 0.279 0.000 0.991 496 K CA -0.307 56.070 56.287 0.149 0.000 0.916 496 K CB 1.430 33.991 32.500 0.100 0.000 1.041 496 K HN 0.633 nan 8.250 nan 0.000 0.455 497 E N 0.846 121.171 120.200 0.208 0.000 2.425 497 E HA 0.073 4.422 4.350 -0.002 0.000 0.258 497 E C -0.770 175.953 176.600 0.206 0.000 1.151 497 E CA -0.617 55.933 56.400 0.250 0.000 0.958 497 E CB 0.615 30.396 29.700 0.136 0.000 0.968 497 E HN 0.051 nan 8.360 nan 0.000 0.451 498 V N 2.476 122.504 119.914 0.191 0.000 2.427 498 V HA 0.252 4.371 4.120 -0.002 0.000 0.286 498 V C -0.426 175.656 176.094 -0.021 0.000 1.034 498 V CA -0.798 61.533 62.300 0.051 0.000 0.893 498 V CB 1.137 32.953 31.823 -0.012 0.000 0.982 498 V HN 0.645 nan 8.190 nan 0.000 0.452 499 N N 5.063 123.741 118.700 -0.036 0.000 2.448 499 N HA 0.670 5.409 4.740 -0.002 0.000 0.279 499 N C -1.114 174.355 175.510 -0.069 0.000 1.025 499 N CA -0.346 52.667 53.050 -0.061 0.000 0.898 499 N CB 2.539 41.008 38.487 -0.031 0.000 1.303 499 N HN 0.387 nan 8.380 nan 0.000 0.495 500 L N 0.737 121.898 121.223 -0.104 0.000 2.230 500 L HA 0.728 5.066 4.340 -0.002 0.000 0.255 500 L C -0.405 176.428 176.870 -0.062 0.000 1.039 500 L CA -0.956 53.838 54.840 -0.077 0.000 0.846 500 L CB 1.714 43.718 42.059 -0.091 0.000 1.419 500 L HN 0.098 nan 8.230 nan 0.000 0.435 501 V N 1.321 121.219 119.914 -0.026 0.000 2.655 501 V HA 0.341 4.460 4.120 -0.002 0.000 0.301 501 V C -1.223 174.891 176.094 0.033 0.000 1.082 501 V CA -0.445 61.854 62.300 -0.001 0.000 0.899 501 V CB 2.036 33.858 31.823 -0.001 0.000 1.014 501 V HN 0.491 nan 8.190 nan 0.000 0.429 502 L N 6.128 127.397 121.223 0.077 0.000 2.281 502 L HA 0.553 4.892 4.340 -0.002 0.000 0.285 502 L C -0.634 176.284 176.870 0.079 0.000 1.074 502 L CA 0.368 55.263 54.840 0.092 0.000 0.817 502 L CB 0.720 42.867 42.059 0.146 0.000 1.168 502 L HN 0.583 nan 8.230 nan 0.000 0.434 503 L N 6.749 128.004 121.223 0.054 0.000 2.272 503 L HA 0.468 4.807 4.340 -0.002 0.000 0.289 503 L C -0.617 176.277 176.870 0.041 0.000 1.032 503 L CA -0.317 54.549 54.840 0.044 0.000 0.810 503 L CB 1.142 43.219 42.059 0.031 0.000 1.205 503 L HN 0.592 nan 8.230 nan 0.000 0.422 504 L N 4.278 125.526 121.223 0.042 0.000 2.341 504 L HA 0.638 4.977 4.340 -0.002 0.000 0.267 504 L C -0.518 176.368 176.870 0.027 0.000 1.009 504 L CA -0.790 54.070 54.840 0.034 0.000 0.819 504 L CB 2.346 44.428 42.059 0.038 0.000 1.323 504 L HN 0.488 nan 8.230 nan 0.000 0.425 505 K N 1.738 122.150 120.400 0.021 0.000 2.565 505 K HA 0.274 4.593 4.320 -0.002 0.000 0.251 505 K C -1.483 175.126 176.600 0.015 0.000 0.956 505 K CA -0.698 55.600 56.287 0.018 0.000 0.809 505 K CB 1.860 34.369 32.500 0.015 0.000 1.267 505 K HN 0.530 nan 8.250 nan 0.000 0.438 506 N N 4.761 123.470 118.700 0.014 0.000 2.414 506 N HA 0.210 4.949 4.740 -0.002 0.000 0.256 506 N C -0.133 175.382 175.510 0.009 0.000 1.029 506 N CA -0.357 52.700 53.050 0.012 0.000 0.948 506 N CB 0.683 39.178 38.487 0.012 0.000 1.102 506 N HN 0.648 nan 8.380 nan 0.000 0.496 507 L N 1.533 122.761 121.223 0.008 0.000 2.700 507 L HA 0.210 4.549 4.340 -0.002 0.000 0.234 507 L C 0.865 177.738 176.870 0.005 0.000 1.156 507 L CA -0.274 54.570 54.840 0.006 0.000 0.946 507 L CB -0.519 41.543 42.059 0.006 0.000 1.216 507 L HN 0.536 nan 8.230 nan 0.000 0.493 508 S N -0.795 114.908 115.700 0.005 0.000 2.713 508 S HA 0.361 4.830 4.470 -0.002 0.000 0.277 508 S C 1.026 175.629 174.600 0.004 0.000 1.168 508 S CA -0.772 57.431 58.200 0.004 0.000 0.994 508 S CB 1.355 64.558 63.200 0.004 0.000 1.054 508 S HN 0.097 nan 8.310 nan 0.000 0.555 509 R N 0.451 120.953 120.500 0.003 0.000 2.317 509 R HA 0.373 4.712 4.340 -0.002 0.000 0.208 509 R C -0.840 175.462 176.300 0.003 0.000 0.914 509 R CA 0.089 56.191 56.100 0.003 0.000 1.060 509 R CB -0.885 29.417 30.300 0.003 0.000 1.015 509 R HN 0.611 nan 8.270 nan 0.000 0.498 510 D N -0.202 120.200 120.400 0.004 0.000 2.419 510 D HA 0.217 4.856 4.640 -0.002 0.000 0.234 510 D C -0.435 175.868 176.300 0.005 0.000 1.014 510 D CA -0.355 53.647 54.000 0.004 0.000 0.919 510 D CB 1.569 42.371 40.800 0.003 0.000 1.366 510 D HN -0.260 nan 8.370 nan 0.000 0.490 511 T N 2.035 116.592 114.554 0.005 0.000 2.814 511 T HA 0.281 4.630 4.350 -0.002 0.000 0.297 511 T C 0.192 174.896 174.700 0.007 0.000 0.956 511 T CA -0.383 61.721 62.100 0.007 0.000 1.123 511 T CB 0.540 69.412 68.868 0.007 0.000 0.902 511 T HN -0.031 nan 8.240 nan 0.000 0.528 512 K N 2.429 122.834 120.400 0.008 0.000 2.259 512 K HA 0.498 4.817 4.320 -0.002 0.000 0.249 512 K C -0.331 176.275 176.600 0.009 0.000 0.942 512 K CA -0.753 55.539 56.287 0.008 0.000 0.816 512 K CB 2.037 34.542 32.500 0.008 0.000 1.155 512 K HN 0.420 nan 8.250 nan 0.000 0.428 513 T N 1.438 115.997 114.554 0.008 0.000 2.770 513 T HA 0.311 4.660 4.350 -0.002 0.000 0.297 513 T C -0.154 174.551 174.700 0.008 0.000 0.997 513 T CA -0.614 61.491 62.100 0.008 0.000 0.949 513 T CB 0.586 69.458 68.868 0.007 0.000 0.941 513 T HN 0.153 nan 8.240 nan 0.000 0.457 514 V N 3.297 123.216 119.914 0.009 0.000 2.370 514 V HA 0.462 4.581 4.120 -0.002 0.000 0.279 514 V C 0.751 176.846 176.094 0.003 0.000 1.029 514 V CA -0.839 61.466 62.300 0.009 0.000 0.870 514 V CB 1.328 33.157 31.823 0.011 0.000 0.984 514 V HN 0.852 nan 8.190 nan 0.000 0.451 515 T N 5.142 119.698 114.554 0.004 0.000 2.744 515 T HA 0.558 4.907 4.350 -0.002 0.000 0.291 515 T C -0.601 174.095 174.700 -0.007 0.000 0.957 515 T CA -0.213 61.886 62.100 -0.003 0.000 1.002 515 T CB 0.612 69.483 68.868 0.005 0.000 0.919 515 T HN 0.457 nan 8.240 nan 0.000 0.468 516 V N 6.548 126.444 119.914 -0.030 0.000 2.448 516 V HA 0.468 4.587 4.120 -0.002 0.000 0.295 516 V C -0.102 175.963 176.094 -0.049 0.000 1.025 516 V CA -1.013 61.265 62.300 -0.037 0.000 0.859 516 V CB 1.647 33.433 31.823 -0.061 0.000 0.988 516 V HN 0.920 nan 8.190 nan 0.000 0.431 517 N N 4.753 123.445 118.700 -0.014 0.000 2.342 517 N HA 0.806 5.545 4.740 -0.002 0.000 0.293 517 N C -0.921 174.608 175.510 0.031 0.000 1.026 517 N CA -0.631 52.414 53.050 -0.009 0.000 0.857 517 N CB 1.954 40.448 38.487 0.011 0.000 1.256 517 N HN 0.568 nan 8.380 nan 0.000 0.484 518 M N 0.687 120.306 119.600 0.031 0.000 2.619 518 M HA 0.558 5.037 4.480 -0.002 0.000 0.297 518 M C -0.561 175.824 176.300 0.141 0.000 1.229 518 M CA -0.701 54.700 55.300 0.170 0.000 0.860 518 M CB 2.523 35.362 32.600 0.399 0.000 1.741 518 M HN 0.560 nan 8.290 nan 0.000 0.462 519 T N -1.143 113.634 114.554 0.371 0.000 2.840 519 T HA 0.896 5.244 4.350 -0.002 0.000 0.317 519 T C -1.781 173.276 174.700 0.594 0.000 1.401 519 T CA -0.898 61.444 62.100 0.405 0.000 1.028 519 T CB 1.837 70.945 68.868 0.399 0.000 1.317 519 T HN 0.934 nan 8.240 nan 0.000 0.495 520 A N 1.166 124.319 122.820 0.555 0.000 2.353 520 A HA 0.710 5.029 4.320 -0.002 0.000 0.299 520 A C -1.782 175.991 177.584 0.316 0.000 1.089 520 A CA -0.867 51.438 52.037 0.447 0.000 0.736 520 A CB 0.755 19.999 19.000 0.407 0.000 1.195 520 A HN 0.743 nan 8.150 nan 0.000 0.447 521 W N 1.613 123.023 121.300 0.184 0.000 2.656 521 W HA 0.527 5.186 4.660 -0.002 0.000 0.327 521 W C 0.523 177.126 176.519 0.139 0.000 1.041 521 W CA -0.064 57.369 57.345 0.146 0.000 1.229 521 W CB 2.158 31.683 29.460 0.110 0.000 1.397 521 W HN 0.778 nan 8.180 nan 0.000 0.479 522 T N 2.156 116.918 114.554 0.347 0.000 2.907 522 T HA 0.674 5.023 4.350 -0.002 0.000 0.298 522 T C -0.109 174.772 174.700 0.302 0.000 1.017 522 T CA -0.373 61.895 62.100 0.281 0.000 1.118 522 T CB 0.785 69.812 68.868 0.265 0.000 0.948 522 T HN 0.447 nan 8.240 nan 0.000 0.531 523 I N -1.068 119.642 120.570 0.234 0.000 3.279 523 I HA 0.671 4.840 4.170 -0.002 0.000 0.315 523 I C -1.264 174.959 176.117 0.177 0.000 1.187 523 I CA -1.867 59.547 61.300 0.190 0.000 0.953 523 I CB 1.887 39.977 38.000 0.149 0.000 1.279 523 I HN 0.380 nan 8.210 nan 0.000 0.465 524 I N 1.912 122.560 120.570 0.130 0.000 2.577 524 I HA 0.165 4.334 4.170 -0.002 0.000 0.305 524 I C 0.931 177.105 176.117 0.096 0.000 0.986 524 I CA -0.445 60.955 61.300 0.167 0.000 1.189 524 I CB 1.271 39.349 38.000 0.131 0.000 1.355 524 I HN 0.937 nan 8.210 nan 0.000 0.476 525 Y N 3.849 124.203 120.300 0.091 0.000 2.298 525 Y HA -0.295 4.254 4.550 -0.002 0.000 0.287 525 Y C 1.697 177.500 175.900 -0.162 0.000 1.164 525 Y CA 1.885 59.995 58.100 0.017 0.000 1.229 525 Y CB -0.911 37.563 38.460 0.023 0.000 0.977 525 Y HN 0.742 nan 8.280 nan 0.000 0.538 526 N N -0.416 117.616 118.700 -1.113 0.000 2.409 526 N HA 0.141 4.880 4.740 -0.002 0.000 0.179 526 N C 1.574 176.664 175.510 -0.699 0.000 1.032 526 N CA 0.806 52.974 53.050 -1.469 0.000 0.898 526 N CB 0.036 37.148 38.487 -2.291 0.000 0.971 526 N HN 0.504 nan 8.380 nan 0.000 0.441 527 G N -1.006 107.571 108.800 -0.372 0.000 2.227 527 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.168 527 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.168 527 G C -0.140 174.666 174.900 -0.157 0.000 1.006 527 G CA -0.074 44.918 45.100 -0.181 0.000 0.684 527 G HN 0.295 nan 8.290 nan 0.000 0.489 528 T N 2.900 117.348 114.554 -0.177 0.000 2.792 528 T HA 0.364 4.713 4.350 -0.002 0.000 0.286 528 T C 0.947 175.634 174.700 -0.022 0.000 0.970 528 T CA 0.288 62.329 62.100 -0.097 0.000 1.187 528 T CB 0.384 69.223 68.868 -0.049 0.000 0.915 528 T HN 0.306 nan 8.240 nan 0.000 0.529 529 L N 4.622 125.814 121.223 -0.052 0.000 2.410 529 L HA 0.147 4.486 4.340 -0.002 0.000 0.273 529 L C 1.355 178.338 176.870 0.188 0.000 1.144 529 L CA -0.423 54.422 54.840 0.009 0.000 0.863 529 L CB 0.639 42.509 42.059 -0.316 0.000 1.140 529 L HN 0.510 nan 8.230 nan 0.000 0.463 530 V N 2.012 122.137 119.914 0.352 0.000 2.484 530 V HA 0.143 4.262 4.120 -0.002 0.000 0.236 530 V C 0.234 176.565 176.094 0.394 0.000 1.062 530 V CA 0.569 63.064 62.300 0.326 0.000 1.081 530 V CB 0.008 31.997 31.823 0.277 0.000 0.751 530 V HN 0.761 nan 8.190 nan 0.000 0.484 531 H N -0.099 119.095 119.070 0.208 0.000 3.094 531 H HA 0.240 4.795 4.556 -0.002 0.000 0.335 531 H C -1.241 173.563 175.328 -0.873 0.000 1.254 531 H CA -0.584 55.227 56.048 -0.394 0.000 1.240 531 H CB 1.896 31.267 29.762 -0.652 0.000 1.936 531 H HN 0.395 nan 8.280 nan 0.000 0.536 532 E N 2.785 122.036 120.200 -1.582 0.000 2.344 532 E HA 0.242 4.591 4.350 -0.002 0.000 0.270 532 E C 0.222 176.597 176.600 -0.375 0.000 1.021 532 E CA -0.097 55.488 56.400 -1.359 0.000 0.887 532 E CB 0.824 29.766 29.700 -1.263 0.000 0.997 532 E HN 0.419 nan 8.360 nan 0.000 0.429 533 V N 1.915 121.744 119.914 -0.142 0.000 3.612 533 V HA 0.396 4.515 4.120 -0.002 0.000 0.268 533 V C 0.001 176.226 176.094 0.218 0.000 1.365 533 V CA -0.415 61.939 62.300 0.090 0.000 1.044 533 V CB -0.456 31.495 31.823 0.213 0.000 0.820 533 V HN 0.680 nan 8.190 nan 0.000 0.444 534 W N 1.869 123.146 121.300 -0.039 0.000 3.248 534 W HA 0.656 5.315 4.660 -0.002 0.000 0.311 534 W C -1.652 174.874 176.519 0.011 0.000 1.258 534 W CA -0.660 56.694 57.345 0.014 0.000 1.191 534 W CB 1.577 31.078 29.460 0.068 0.000 1.389 534 W HN 0.195 nan 8.180 nan 0.000 0.561 535 K N 3.516 123.351 120.400 -0.942 0.000 2.575 535 K HA 0.747 5.066 4.320 -0.002 0.000 0.279 535 K C -2.099 173.763 176.600 -1.230 0.000 0.969 535 K CA -0.837 54.923 56.287 -0.878 0.000 0.868 535 K CB 2.534 34.816 32.500 -0.362 0.000 1.457 535 K HN 0.352 nan 8.250 nan 0.000 0.426 536 D N -0.384 119.522 120.400 -0.823 0.000 2.742 536 D HA 0.432 5.071 4.640 -0.002 0.000 0.262 536 D C -1.659 174.504 176.300 -0.229 0.000 1.240 536 D CA -0.170 53.535 54.000 -0.491 0.000 0.752 536 D CB 2.380 42.910 40.800 -0.451 0.000 1.290 536 D HN 0.586 nan 8.370 nan 0.000 0.420 537 S N -0.450 115.165 115.700 -0.141 0.000 2.627 537 S HA 1.041 5.510 4.470 -0.002 0.000 0.283 537 S C -1.375 173.150 174.600 -0.124 0.000 1.127 537 S CA -0.301 57.830 58.200 -0.115 0.000 0.863 537 S CB 1.863 65.018 63.200 -0.075 0.000 1.121 537 S HN 0.844 nan 8.310 nan 0.000 0.479 538 A N 1.123 123.862 122.820 -0.136 0.000 2.565 538 A HA 0.671 4.990 4.320 -0.002 0.000 0.298 538 A C -1.132 176.410 177.584 -0.069 0.000 1.062 538 A CA -0.661 51.306 52.037 -0.116 0.000 0.723 538 A CB 1.196 20.037 19.000 -0.266 0.000 1.282 538 A HN 0.538 nan 8.150 nan 0.000 0.400 539 T N 2.754 117.293 114.554 -0.024 0.000 2.815 539 T HA 0.655 5.003 4.350 -0.002 0.000 0.289 539 T C -0.253 174.452 174.700 0.008 0.000 1.000 539 T CA -0.056 62.039 62.100 -0.009 0.000 0.958 539 T CB 0.652 69.519 68.868 -0.003 0.000 0.944 539 T HN 0.631 nan 8.240 nan 0.000 0.442 540 M N 1.351 120.958 119.600 0.011 0.000 2.690 540 M HA 0.686 5.165 4.480 -0.002 0.000 0.302 540 M C -0.076 176.235 176.300 0.019 0.000 1.234 540 M CA -0.921 54.392 55.300 0.023 0.000 0.853 540 M CB 2.264 34.885 32.600 0.035 0.000 1.748 540 M HN 0.404 nan 8.290 nan 0.000 0.469 541 S N 1.306 117.019 115.700 0.020 0.000 2.478 541 S HA 0.829 5.297 4.470 -0.002 0.000 0.312 541 S C -1.376 173.235 174.600 0.018 0.000 1.094 541 S CA -0.712 57.498 58.200 0.017 0.000 1.081 541 S CB 0.472 63.681 63.200 0.015 0.000 1.007 541 S HN 0.632 nan 8.310 nan 0.000 0.475 542 L N 4.001 125.234 121.223 0.016 0.000 2.362 542 L HA 0.576 4.915 4.340 -0.002 0.000 0.275 542 L C -0.360 176.518 176.870 0.013 0.000 0.998 542 L CA -0.970 53.880 54.840 0.017 0.000 0.820 542 L CB 1.883 43.952 42.059 0.018 0.000 1.270 542 L HN 0.539 nan 8.230 nan 0.000 0.415 543 D N 2.748 123.155 120.400 0.013 0.000 2.312 543 D HA 0.262 4.901 4.640 -0.002 0.000 0.248 543 D C -2.378 173.928 176.300 0.010 0.000 1.086 543 D CA -1.249 52.757 54.000 0.010 0.000 0.948 543 D CB 1.307 42.113 40.800 0.010 0.000 1.162 543 D HN 0.160 nan 8.370 nan 0.000 0.446 544 P HA -0.099 nan 4.420 nan 0.000 0.257 544 P C 0.143 177.448 177.300 0.008 0.000 1.153 544 P CA 1.045 64.149 63.100 0.007 0.000 0.762 544 P CB 0.301 32.004 31.700 0.006 0.000 0.743 545 E N -0.271 119.933 120.200 0.008 0.000 3.916 545 E HA -0.261 4.088 4.350 -0.002 0.000 0.331 545 E C 0.227 176.833 176.600 0.010 0.000 0.729 545 E CA 1.318 57.723 56.400 0.008 0.000 1.222 545 E CB -1.605 28.099 29.700 0.007 0.000 1.633 545 E HN 0.681 nan 8.360 nan 0.000 0.437 546 E N 0.412 120.619 120.200 0.012 0.000 2.392 546 E HA 0.202 4.550 4.350 -0.002 0.000 0.259 546 E C -0.287 176.323 176.600 0.016 0.000 1.108 546 E CA 0.091 56.500 56.400 0.014 0.000 0.916 546 E CB 0.539 30.248 29.700 0.015 0.000 0.989 546 E HN 0.169 nan 8.360 nan 0.000 0.432 547 E N 0.161 120.372 120.200 0.018 0.000 2.317 547 E HA 0.663 5.012 4.350 -0.002 0.000 0.270 547 E C -1.383 175.233 176.600 0.027 0.000 0.885 547 E CA -1.013 55.400 56.400 0.022 0.000 0.760 547 E CB 2.085 31.797 29.700 0.019 0.000 1.227 547 E HN 0.533 nan 8.360 nan 0.000 0.434 548 A N 1.870 124.711 122.820 0.034 0.000 2.583 548 A HA 0.694 5.012 4.320 -0.002 0.000 0.289 548 A C -1.711 175.906 177.584 0.054 0.000 1.151 548 A CA -0.850 51.214 52.037 0.044 0.000 0.695 548 A CB 1.684 20.715 19.000 0.051 0.000 1.290 548 A HN 0.684 nan 8.150 nan 0.000 0.419 549 E N 0.645 120.886 120.200 0.068 0.000 2.404 549 E HA 0.304 4.652 4.350 -0.002 0.000 0.298 549 E C -1.436 175.226 176.600 0.104 0.000 0.908 549 E CA -0.602 55.845 56.400 0.079 0.000 0.808 549 E CB 0.713 30.441 29.700 0.045 0.000 1.380 549 E HN 0.724 nan 8.360 nan 0.000 0.392 550 H N 3.753 122.853 119.070 0.050 0.000 2.690 550 H HA 0.302 4.857 4.556 -0.002 0.000 0.314 550 H C -2.391 172.975 175.328 0.063 0.000 1.069 550 H CA -1.280 54.809 56.048 0.069 0.000 1.436 550 H CB 0.978 30.796 29.762 0.095 0.000 1.462 550 H HN 0.294 nan 8.280 nan 0.000 0.511 551 P HA 0.218 nan 4.420 nan 0.000 0.284 551 P C -0.623 176.542 177.300 -0.224 0.000 1.253 551 P CA -0.236 62.742 63.100 -0.203 0.000 0.800 551 P CB 1.175 32.780 31.700 -0.158 0.000 0.961 552 I N 2.474 122.945 120.570 -0.164 0.000 2.406 552 I HA 0.426 4.594 4.170 -0.002 0.000 0.290 552 I C 0.228 176.145 176.117 -0.332 0.000 0.999 552 I CA -0.620 60.492 61.300 -0.313 0.000 1.124 552 I CB 1.684 39.401 38.000 -0.472 0.000 1.289 552 I HN 0.161 nan 8.210 nan 0.000 0.441 553 K N 8.029 128.233 120.400 -0.328 0.000 2.507 553 K HA 0.647 4.966 4.320 -0.002 0.000 0.252 553 K C -1.645 174.838 176.600 -0.195 0.000 0.943 553 K CA -0.476 55.699 56.287 -0.185 0.000 0.808 553 K CB 1.649 34.129 32.500 -0.034 0.000 1.142 553 K HN 0.594 nan 8.250 nan 0.000 0.426 554 I N 3.547 124.041 120.570 -0.125 0.000 2.418 554 I HA 0.178 4.347 4.170 -0.002 0.000 0.287 554 I C 0.225 176.448 176.117 0.176 0.000 1.008 554 I CA -0.842 60.482 61.300 0.039 0.000 1.104 554 I CB 1.974 40.012 38.000 0.063 0.000 1.264 554 I HN 0.636 nan 8.210 nan 0.000 0.438 555 S N 4.673 120.456 115.700 0.137 0.000 2.632 555 S HA 0.169 4.637 4.470 -0.002 0.000 0.267 555 S C 0.950 175.474 174.600 -0.126 0.000 1.276 555 S CA -0.333 57.915 58.200 0.080 0.000 0.998 555 S CB 0.999 64.226 63.200 0.046 0.000 0.953 555 S HN 0.661 nan 8.310 nan 0.000 0.547 556 Y N 1.963 122.055 120.300 -0.346 0.000 2.207 556 Y HA -0.100 4.449 4.550 -0.002 0.000 0.287 556 Y C 2.387 177.864 175.900 -0.705 0.000 1.156 556 Y CA 1.896 59.480 58.100 -0.861 0.000 1.182 556 Y CB -1.052 37.203 38.460 -0.341 0.000 0.979 556 Y HN 0.830 nan 8.280 nan 0.000 0.521 557 A N 0.259 122.834 122.820 -0.409 0.000 1.933 557 A HA -0.238 4.081 4.320 -0.002 0.000 0.218 557 A C 2.113 179.493 177.584 -0.340 0.000 1.175 557 A CA 1.896 53.709 52.037 -0.373 0.000 0.628 557 A CB -0.679 18.242 19.000 -0.133 0.000 0.814 557 A HN 0.690 nan 8.150 nan 0.000 0.444 558 Q N -1.607 118.063 119.800 -0.218 0.000 2.079 558 Q HA -0.182 4.157 4.340 -0.002 0.000 0.200 558 Q C 1.983 177.985 176.000 0.002 0.000 0.974 558 Q CA 1.896 57.670 55.803 -0.047 0.000 0.840 558 Q CB -0.344 28.452 28.738 0.096 0.000 0.898 558 Q HN 1.038 nan 8.270 nan 0.000 0.430 559 Y N 0.278 120.562 120.300 -0.027 0.000 2.479 559 Y HA 0.134 4.683 4.550 -0.002 0.000 0.283 559 Y C 1.907 177.745 175.900 -0.103 0.000 1.109 559 Y CA 0.546 58.649 58.100 0.005 0.000 1.239 559 Y CB -0.663 37.830 38.460 0.055 0.000 1.108 559 Y HN 0.063 nan 8.280 nan 0.000 0.548 560 E N 1.951 121.867 120.200 -0.474 0.000 2.114 560 E HA -0.331 4.018 4.350 -0.002 0.000 0.199 560 E C 2.179 178.601 176.600 -0.297 0.000 1.008 560 E CA 2.191 58.330 56.400 -0.436 0.000 0.810 560 E CB -0.545 28.416 29.700 -1.232 0.000 0.739 560 E HN 0.545 nan 8.360 nan 0.000 0.456 561 R N -0.879 119.368 120.500 -0.420 0.000 2.193 561 R HA -0.110 4.229 4.340 -0.002 0.000 0.229 561 R C 0.725 176.572 176.300 -0.754 0.000 1.110 561 R CA 1.396 57.126 56.100 -0.616 0.000 0.988 561 R CB -0.070 29.730 30.300 -0.832 0.000 0.871 561 R HN 0.429 nan 8.270 nan 0.000 0.458 562 Y N -0.884 119.364 120.300 -0.087 0.000 2.641 562 Y HA 0.230 4.779 4.550 -0.002 0.000 0.248 562 Y C -0.410 175.527 175.900 0.062 0.000 1.170 562 Y CA -0.860 57.217 58.100 -0.040 0.000 1.201 562 Y CB 0.716 39.118 38.460 -0.097 0.000 1.232 562 Y HN -0.034 nan 8.280 nan 0.000 0.537 563 L N 2.097 123.424 121.223 0.173 0.000 2.305 563 L HA 0.392 4.731 4.340 -0.002 0.000 0.281 563 L C -0.347 176.619 176.870 0.161 0.000 1.085 563 L CA -0.255 54.702 54.840 0.196 0.000 0.813 563 L CB 0.352 42.560 42.059 0.249 0.000 1.157 563 L HN -0.097 nan 8.230 nan 0.000 0.436 564 K N 2.433 122.941 120.400 0.180 0.000 2.393 564 K HA 0.432 4.751 4.320 -0.002 0.000 0.241 564 K C 1.263 177.990 176.600 0.212 0.000 1.055 564 K CA -0.456 55.943 56.287 0.186 0.000 0.951 564 K CB 0.959 33.581 32.500 0.203 0.000 1.285 564 K HN 0.614 nan 8.250 nan 0.000 0.500 565 S N 1.434 117.279 115.700 0.240 0.000 2.389 565 S HA -0.209 4.259 4.470 -0.002 0.000 0.231 565 S C 1.188 175.917 174.600 0.215 0.000 1.052 565 S CA 1.876 60.212 58.200 0.226 0.000 1.053 565 S CB -0.317 63.028 63.200 0.242 0.000 0.886 565 S HN 0.496 nan 8.310 nan 0.000 0.456 566 D N 1.279 121.829 120.400 0.249 0.000 2.182 566 D HA -0.110 4.528 4.640 -0.002 0.000 0.201 566 D C 0.169 176.584 176.300 0.193 0.000 0.986 566 D CA 0.879 55.026 54.000 0.245 0.000 0.847 566 D CB -0.383 40.596 40.800 0.300 0.000 0.942 566 D HN 0.282 nan 8.370 nan 0.000 0.467 567 N N -0.095 118.713 118.700 0.180 0.000 2.735 567 N HA -0.176 4.563 4.740 -0.002 0.000 0.248 567 N C -0.512 175.064 175.510 0.109 0.000 1.083 567 N CA 0.706 53.840 53.050 0.141 0.000 0.703 567 N CB -1.484 37.085 38.487 0.137 0.000 1.005 567 N HN 0.395 nan 8.380 nan 0.000 0.550 568 M N 0.235 119.917 119.600 0.137 0.000 2.528 568 M HA 0.582 5.061 4.480 -0.002 0.000 0.321 568 M C 0.003 176.377 176.300 0.123 0.000 1.153 568 M CA -0.485 54.894 55.300 0.132 0.000 0.951 568 M CB 2.076 34.785 32.600 0.183 0.000 1.705 568 M HN -0.047 nan 8.290 nan 0.000 0.451 569 I N 1.395 122.029 120.570 0.107 0.000 2.569 569 I HA 0.450 4.619 4.170 -0.002 0.000 0.290 569 I C -0.618 175.593 176.117 0.156 0.000 1.088 569 I CA -0.747 60.630 61.300 0.129 0.000 1.047 569 I CB 2.448 40.484 38.000 0.060 0.000 1.237 569 I HN 0.648 nan 8.210 nan 0.000 0.421 570 R N 6.545 127.176 120.500 0.218 0.000 2.229 570 R HA 0.554 4.892 4.340 -0.002 0.000 0.332 570 R C -1.181 175.270 176.300 0.252 0.000 0.989 570 R CA -0.532 55.699 56.100 0.220 0.000 0.842 570 R CB 0.731 31.165 30.300 0.224 0.000 1.119 570 R HN 0.449 nan 8.270 nan 0.000 0.456 571 I N 4.093 124.778 120.570 0.193 0.000 2.359 571 I HA 0.338 4.507 4.170 -0.002 0.000 0.294 571 I C -0.075 176.154 176.117 0.187 0.000 0.987 571 I CA -0.411 61.004 61.300 0.192 0.000 1.225 571 I CB 1.493 39.554 38.000 0.103 0.000 1.366 571 I HN 0.656 nan 8.210 nan 0.000 0.466 572 T N 4.471 119.160 114.554 0.225 0.000 2.900 572 T HA 0.816 5.165 4.350 -0.002 0.000 0.295 572 T C -0.605 174.172 174.700 0.128 0.000 1.044 572 T CA -0.723 61.456 62.100 0.132 0.000 0.995 572 T CB 2.446 71.398 68.868 0.140 0.000 1.072 572 T HN 0.719 nan 8.240 nan 0.000 0.473 573 A N 1.905 124.743 122.820 0.030 0.000 2.476 573 A HA 0.651 4.969 4.320 -0.002 0.000 0.280 573 A C -0.928 176.641 177.584 -0.024 0.000 1.081 573 A CA -0.568 51.496 52.037 0.046 0.000 0.753 573 A CB 0.973 20.020 19.000 0.078 0.000 1.248 573 A HN 0.656 nan 8.150 nan 0.000 0.424 574 V N 2.196 122.098 119.914 -0.019 0.000 2.364 574 V HA 0.275 4.393 4.120 -0.002 0.000 0.272 574 V C -0.069 176.027 176.094 0.004 0.000 1.036 574 V CA -0.341 61.941 62.300 -0.029 0.000 0.880 574 V CB 0.598 32.415 31.823 -0.011 0.000 0.991 574 V HN 0.941 nan 8.190 nan 0.000 0.460 575 C N 5.463 124.766 119.300 0.003 0.000 2.329 575 C HA 0.784 5.243 4.460 -0.002 0.000 0.329 575 C C 0.159 175.164 174.990 0.026 0.000 1.275 575 C CA -0.914 58.112 59.018 0.013 0.000 1.726 575 C CB 0.903 28.648 27.740 0.010 0.000 2.291 575 C HN 0.891 nan 8.230 nan 0.000 0.514 576 K N 1.808 122.225 120.400 0.028 0.000 2.422 576 K HA 0.845 5.163 4.320 -0.002 0.000 0.251 576 K C -1.660 174.955 176.600 0.024 0.000 0.933 576 K CA -0.406 55.903 56.287 0.037 0.000 0.798 576 K CB 1.614 34.146 32.500 0.054 0.000 1.238 576 K HN 0.495 nan 8.250 nan 0.000 0.428 577 V N 4.459 124.387 119.914 0.022 0.000 2.962 577 V HA 0.642 4.761 4.120 -0.002 0.000 0.313 577 V C -2.498 173.601 176.094 0.009 0.000 1.099 577 V CA -2.578 59.730 62.300 0.013 0.000 0.971 577 V CB 2.397 34.227 31.823 0.011 0.000 1.028 577 V HN 0.806 nan 8.190 nan 0.000 0.430 578 P HA 0.258 nan 4.420 nan 0.000 0.268 578 P C -0.443 176.853 177.300 -0.007 0.000 1.205 578 P CA 0.507 63.605 63.100 -0.004 0.000 0.771 578 P CB 0.234 31.931 31.700 -0.005 0.000 0.858 579 D N -0.645 119.746 120.400 -0.015 0.000 3.077 579 D HA -0.181 4.457 4.640 -0.002 0.000 0.217 579 D C -0.256 176.036 176.300 -0.013 0.000 1.162 579 D CA 1.395 55.384 54.000 -0.018 0.000 0.943 579 D CB -1.220 39.571 40.800 -0.014 0.000 1.122 579 D HN 0.572 nan 8.370 nan 0.000 0.413 580 E N -0.601 119.596 120.200 -0.006 0.000 2.317 580 E HA 0.501 4.850 4.350 -0.002 0.000 0.270 580 E C -0.608 176.003 176.600 0.018 0.000 0.885 580 E CA -0.674 55.728 56.400 0.004 0.000 0.760 580 E CB 1.723 31.428 29.700 0.008 0.000 1.227 580 E HN -0.146 nan 8.360 nan 0.000 0.434 581 S N 1.727 117.445 115.700 0.030 0.000 2.572 581 S HA 0.045 4.514 4.470 -0.002 0.000 0.279 581 S C -0.145 174.505 174.600 0.085 0.000 1.341 581 S CA -0.332 57.912 58.200 0.074 0.000 1.043 581 S CB 0.397 63.648 63.200 0.085 0.000 0.887 581 S HN 0.339 nan 8.310 nan 0.000 0.516 582 E N 0.774 121.058 120.200 0.141 0.000 2.436 582 E HA 0.167 4.516 4.350 -0.002 0.000 0.262 582 E C -0.707 175.924 176.600 0.052 0.000 1.063 582 E CA 0.136 56.599 56.400 0.105 0.000 0.944 582 E CB 0.342 30.130 29.700 0.147 0.000 0.950 582 E HN 0.237 nan 8.360 nan 0.000 0.444 583 V N 2.609 122.536 119.914 0.022 0.000 2.448 583 V HA 0.279 4.398 4.120 -0.002 0.000 0.295 583 V C -0.635 175.438 176.094 -0.035 0.000 1.025 583 V CA -0.854 61.443 62.300 -0.005 0.000 0.859 583 V CB 1.709 33.532 31.823 0.000 0.000 0.988 583 V HN 0.381 nan 8.190 nan 0.000 0.431 584 V N 5.672 125.543 119.914 -0.071 0.000 2.347 584 V HA 0.446 4.565 4.120 -0.002 0.000 0.280 584 V C -0.098 175.927 176.094 -0.114 0.000 1.021 584 V CA -0.631 61.582 62.300 -0.144 0.000 0.847 584 V CB 1.583 33.257 31.823 -0.249 0.000 0.990 584 V HN 0.584 nan 8.190 nan 0.000 0.444 585 V N 5.053 124.911 119.914 -0.093 0.000 2.394 585 V HA 0.465 4.584 4.120 -0.002 0.000 0.282 585 V C -0.003 176.064 176.094 -0.045 0.000 1.031 585 V CA -0.479 61.795 62.300 -0.042 0.000 0.881 585 V CB 1.417 33.238 31.823 -0.003 0.000 0.982 585 V HN 0.962 nan 8.190 nan 0.000 0.451 586 E N 3.771 123.963 120.200 -0.013 0.000 2.256 586 E HA 0.854 5.202 4.350 -0.002 0.000 0.267 586 E C -0.757 175.882 176.600 0.064 0.000 0.892 586 E CA -1.093 55.324 56.400 0.029 0.000 0.775 586 E CB 2.552 32.285 29.700 0.055 0.000 1.207 586 E HN 0.451 nan 8.360 nan 0.000 0.420 587 R N 1.953 122.508 120.500 0.091 0.000 2.792 587 R HA 0.187 4.526 4.340 -0.002 0.000 0.285 587 R C -2.163 174.203 176.300 0.110 0.000 1.207 587 R CA -0.354 55.801 56.100 0.092 0.000 1.091 587 R CB 0.511 30.851 30.300 0.067 0.000 1.263 587 R HN 0.412 nan 8.270 nan 0.000 0.403 588 D N 4.958 125.432 120.400 0.123 0.000 2.210 588 D HA 0.403 5.042 4.640 -0.002 0.000 0.249 588 D C 0.351 176.719 176.300 0.113 0.000 1.078 588 D CA -0.083 53.998 54.000 0.135 0.000 0.875 588 D CB 1.229 42.126 40.800 0.161 0.000 1.175 588 D HN 0.545 nan 8.370 nan 0.000 0.440 589 I N -1.684 118.943 120.570 0.095 0.000 2.910 589 I HA 0.608 4.777 4.170 -0.002 0.000 0.310 589 I C -0.601 175.560 176.117 0.073 0.000 1.043 589 I CA -1.058 60.283 61.300 0.068 0.000 1.053 589 I CB 1.943 39.960 38.000 0.028 0.000 1.242 589 I HN 0.087 nan 8.210 nan 0.000 0.452 590 I N 3.979 124.585 120.570 0.060 0.000 2.447 590 I HA 0.343 4.512 4.170 -0.002 0.000 0.287 590 I C -1.118 175.020 176.117 0.035 0.000 1.023 590 I CA -0.655 60.684 61.300 0.065 0.000 1.083 590 I CB 1.978 40.028 38.000 0.084 0.000 1.245 590 I HN 0.374 nan 8.210 nan 0.000 0.434 591 L N 5.919 127.159 121.223 0.029 0.000 2.275 591 L HA 0.334 4.673 4.340 -0.002 0.000 0.288 591 L C 0.114 177.019 176.870 0.059 0.000 1.046 591 L CA -0.187 54.668 54.840 0.025 0.000 0.805 591 L CB 0.422 42.476 42.059 -0.009 0.000 1.193 591 L HN 0.429 nan 8.230 nan 0.000 0.426 592 D N 2.251 122.680 120.400 0.048 0.000 2.399 592 D HA 0.061 4.700 4.640 -0.002 0.000 0.241 592 D C 0.073 176.407 176.300 0.056 0.000 1.133 592 D CA 0.085 54.108 54.000 0.040 0.000 0.890 592 D CB 0.768 41.577 40.800 0.015 0.000 1.201 592 D HN 0.403 nan 8.370 nan 0.000 0.432 593 N N 1.268 119.990 118.700 0.037 0.000 2.445 593 N HA 0.271 5.010 4.740 -0.002 0.000 0.264 593 N C -2.229 173.243 175.510 -0.063 0.000 1.227 593 N CA -0.942 52.110 53.050 0.004 0.000 0.963 593 N CB 0.317 38.807 38.487 0.005 0.000 1.188 593 N HN 0.076 nan 8.380 nan 0.000 0.491 594 P HA 0.102 nan 4.420 nan 0.000 0.271 594 P C -0.470 176.819 177.300 -0.018 0.000 1.233 594 P CA 0.081 63.097 63.100 -0.140 0.000 0.789 594 P CB 0.312 31.855 31.700 -0.261 0.000 0.951 595 T N 1.603 116.127 114.554 -0.050 0.000 2.907 595 T HA 0.340 4.689 4.350 -0.002 0.000 0.298 595 T C -0.184 174.562 174.700 0.078 0.000 1.017 595 T CA -0.022 62.072 62.100 -0.010 0.000 1.118 595 T CB 0.085 68.922 68.868 -0.051 0.000 0.948 595 T HN 0.178 nan 8.240 nan 0.000 0.531 596 L N 3.531 124.791 121.223 0.063 0.000 2.343 596 L HA 0.518 4.857 4.340 -0.002 0.000 0.278 596 L C -0.375 176.499 176.870 0.007 0.000 0.996 596 L CA -0.047 54.826 54.840 0.056 0.000 0.831 596 L CB 1.492 43.549 42.059 -0.003 0.000 1.232 596 L HN 0.651 nan 8.230 nan 0.000 0.413 597 T N 5.601 120.153 114.554 -0.004 0.000 2.855 597 T HA 0.641 4.990 4.350 -0.002 0.000 0.281 597 T C -0.472 174.227 174.700 -0.002 0.000 1.007 597 T CA -0.468 61.625 62.100 -0.012 0.000 1.009 597 T CB 1.448 70.300 68.868 -0.027 0.000 0.983 597 T HN 0.424 nan 8.240 nan 0.000 0.455 598 L N 2.411 123.634 121.223 0.001 0.000 2.341 598 L HA 0.585 4.924 4.340 -0.002 0.000 0.278 598 L C -0.090 176.769 176.870 -0.020 0.000 1.005 598 L CA -0.652 54.195 54.840 0.012 0.000 0.818 598 L CB 1.816 43.899 42.059 0.041 0.000 1.259 598 L HN 0.622 nan 8.230 nan 0.000 0.418 599 E N 2.141 122.312 120.200 -0.048 0.000 2.275 599 E HA 0.388 4.737 4.350 -0.002 0.000 0.270 599 E C -1.404 175.137 176.600 -0.097 0.000 0.882 599 E CA -0.665 55.697 56.400 -0.063 0.000 0.758 599 E CB 3.300 32.965 29.700 -0.059 0.000 1.195 599 E HN 0.164 nan 8.360 nan 0.000 0.419 600 V N 4.131 123.998 119.914 -0.079 0.000 2.432 600 V HA 0.061 4.180 4.120 -0.002 0.000 0.275 600 V C 0.381 176.428 176.094 -0.079 0.000 1.043 600 V CA -0.209 62.037 62.300 -0.090 0.000 0.925 600 V CB 1.185 32.971 31.823 -0.062 0.000 0.985 600 V HN 0.647 nan 8.190 nan 0.000 0.466 601 L N 5.350 126.518 121.223 -0.091 0.000 2.592 601 L HA 0.285 4.624 4.340 -0.002 0.000 0.227 601 L C 0.754 177.592 176.870 -0.054 0.000 1.127 601 L CA 0.464 55.261 54.840 -0.071 0.000 0.884 601 L CB -1.273 40.738 42.059 -0.080 0.000 1.065 601 L HN 0.925 nan 8.230 nan 0.000 0.457 602 N N -1.812 116.858 118.700 -0.050 0.000 3.106 602 N HA 0.084 4.823 4.740 -0.002 0.000 0.253 602 N C -0.687 174.804 175.510 -0.031 0.000 1.506 602 N CA -0.682 52.346 53.050 -0.037 0.000 0.876 602 N CB 1.242 39.708 38.487 -0.034 0.000 1.452 602 N HN -0.093 nan 8.380 nan 0.000 0.542 603 E N -0.217 119.969 120.200 -0.023 0.000 2.360 603 E HA 0.445 4.793 4.350 -0.002 0.000 0.269 603 E C -0.532 176.058 176.600 -0.016 0.000 1.022 603 E CA -0.432 55.957 56.400 -0.018 0.000 0.887 603 E CB 0.664 30.356 29.700 -0.014 0.000 0.990 603 E HN 0.601 nan 8.360 nan 0.000 0.426 604 A N 5.297 128.109 122.820 -0.014 0.000 2.276 604 A HA 0.430 4.749 4.320 -0.002 0.000 0.300 604 A C -0.434 177.148 177.584 -0.004 0.000 1.235 604 A CA -0.310 51.721 52.037 -0.009 0.000 0.867 604 A CB 0.445 19.441 19.000 -0.008 0.000 1.137 604 A HN 0.653 nan 8.150 nan 0.000 0.527 605 R N 1.747 122.246 120.500 -0.002 0.000 2.686 605 R HA 0.462 4.801 4.340 -0.002 0.000 0.283 605 R C -0.987 175.316 176.300 0.004 0.000 0.978 605 R CA -0.919 55.181 56.100 0.001 0.000 0.897 605 R CB 2.171 32.471 30.300 -0.000 0.000 1.192 605 R HN 0.501 nan 8.270 nan 0.000 0.457 606 V N 3.950 123.867 119.914 0.006 0.000 2.681 606 V HA -0.161 3.957 4.120 -0.002 0.000 0.306 606 V C 1.184 177.284 176.094 0.009 0.000 1.077 606 V CA 0.992 63.297 62.300 0.008 0.000 1.224 606 V CB -0.017 31.811 31.823 0.007 0.000 0.879 606 V HN 0.865 nan 8.190 nan 0.000 0.494 607 R N 0.451 120.958 120.500 0.012 0.000 3.994 607 R HA -0.149 4.190 4.340 -0.002 0.000 0.403 607 R C -0.083 176.224 176.300 0.012 0.000 1.126 607 R CA 1.013 57.121 56.100 0.013 0.000 1.143 607 R CB -0.649 29.659 30.300 0.013 0.000 1.695 607 R HN 0.620 nan 8.270 nan 0.000 0.555 608 K N 0.725 121.130 120.400 0.009 0.000 2.323 608 K HA 0.373 4.691 4.320 -0.002 0.000 0.259 608 K C -2.526 174.078 176.600 0.006 0.000 0.947 608 K CA -2.374 53.917 56.287 0.006 0.000 0.819 608 K CB 1.617 34.118 32.500 0.002 0.000 1.109 608 K HN -0.208 nan 8.250 nan 0.000 0.429 609 P HA -0.034 nan 4.420 nan 0.000 0.263 609 P C -0.639 176.657 177.300 -0.007 0.000 1.175 609 P CA -0.037 63.066 63.100 0.006 0.000 0.761 609 P CB 0.467 32.171 31.700 0.006 0.000 0.794 610 V N 4.313 124.220 119.914 -0.012 0.000 2.444 610 V HA 0.225 4.343 4.120 -0.002 0.000 0.294 610 V C -0.107 175.941 176.094 -0.076 0.000 1.022 610 V CA -0.688 61.590 62.300 -0.036 0.000 0.850 610 V CB 1.422 33.228 31.823 -0.028 0.000 0.992 610 V HN 0.459 nan 8.190 nan 0.000 0.426 611 N N 3.671 122.314 118.700 -0.096 0.000 2.470 611 N HA 0.494 5.233 4.740 -0.002 0.000 0.268 611 N C -0.623 174.742 175.510 -0.241 0.000 1.136 611 N CA -0.259 52.701 53.050 -0.151 0.000 0.961 611 N CB 1.459 39.882 38.487 -0.106 0.000 1.067 611 N HN 0.435 nan 8.380 nan 0.000 0.468 612 V N 1.368 121.009 119.914 -0.456 0.000 2.815 612 V HA 0.440 4.558 4.120 -0.002 0.000 0.314 612 V C -0.207 175.527 176.094 -0.600 0.000 1.064 612 V CA -0.845 61.094 62.300 -0.603 0.000 0.952 612 V CB 1.949 33.186 31.823 -0.977 0.000 1.020 612 V HN 0.619 nan 8.190 nan 0.000 0.439 613 Q N 2.647 122.239 119.800 -0.347 0.000 2.321 613 Q HA 0.546 4.885 4.340 -0.002 0.000 0.270 613 Q C -1.194 174.770 176.000 -0.059 0.000 1.032 613 Q CA -0.509 55.188 55.803 -0.178 0.000 0.784 613 Q CB 2.159 30.830 28.738 -0.111 0.000 1.264 613 Q HN 0.745 nan 8.270 nan 0.000 0.448 614 M N 4.694 124.318 119.600 0.040 0.000 2.238 614 M HA 0.445 4.924 4.480 -0.002 0.000 0.350 614 M C -2.014 174.295 176.300 0.014 0.000 1.138 614 M CA -0.657 54.691 55.300 0.079 0.000 1.040 614 M CB 0.648 33.354 32.600 0.176 0.000 1.639 614 M HN 0.582 nan 8.290 nan 0.000 0.451 615 L N 6.590 127.806 121.223 -0.013 0.000 2.409 615 L HA 0.625 4.964 4.340 -0.002 0.000 0.272 615 L C -1.255 175.606 176.870 -0.015 0.000 0.980 615 L CA -0.209 54.614 54.840 -0.027 0.000 0.826 615 L CB 1.970 44.005 42.059 -0.040 0.000 1.268 615 L HN 0.649 nan 8.230 nan 0.000 0.407 616 F N 1.373 121.181 119.950 -0.236 0.000 2.581 616 F HA 0.736 5.261 4.527 -0.002 0.000 0.311 616 F C -0.716 174.967 175.800 -0.194 0.000 1.113 616 F CA -0.261 57.561 58.000 -0.296 0.000 0.935 616 F CB 2.232 40.878 39.000 -0.589 0.000 1.232 616 F HN 0.365 nan 8.300 nan 0.000 0.445 617 S N 4.056 119.122 115.700 -1.058 0.000 2.478 617 S HA 0.279 4.747 4.470 -0.002 0.000 0.312 617 S C -0.963 173.037 174.600 -1.000 0.000 1.094 617 S CA -0.714 57.046 58.200 -0.733 0.000 1.081 617 S CB 1.084 64.029 63.200 -0.425 0.000 1.007 617 S HN 0.610 nan 8.310 nan 0.000 0.475 618 N N 4.369 122.802 118.700 -0.446 0.000 2.399 618 N HA 0.191 4.930 4.740 -0.002 0.000 0.259 618 N C -1.372 174.089 175.510 -0.083 0.000 1.160 618 N CA -1.937 51.044 53.050 -0.116 0.000 0.946 618 N CB 0.946 39.514 38.487 0.134 0.000 1.156 618 N HN 0.277 nan 8.380 nan 0.000 0.489 619 P HA -0.035 nan 4.420 nan 0.000 0.231 619 P C 0.407 177.699 177.300 -0.013 0.000 1.168 619 P CA 0.496 63.570 63.100 -0.044 0.000 0.779 619 P CB 0.550 32.225 31.700 -0.042 0.000 0.844 620 L N 0.474 121.726 121.223 0.048 0.000 2.476 620 L HA 0.123 4.462 4.340 -0.002 0.000 0.255 620 L C 1.500 178.353 176.870 -0.028 0.000 1.218 620 L CA 0.033 54.851 54.840 -0.037 0.000 0.819 620 L CB 0.015 42.066 42.059 -0.013 0.000 1.119 620 L HN -0.207 nan 8.230 nan 0.000 0.485 621 D N -0.183 120.191 120.400 -0.044 0.000 2.339 621 D HA 0.029 4.668 4.640 -0.002 0.000 0.217 621 D C 0.176 176.479 176.300 0.005 0.000 1.050 621 D CA 0.389 54.379 54.000 -0.016 0.000 0.856 621 D CB 0.443 41.234 40.800 -0.015 0.000 0.922 621 D HN 0.603 nan 8.370 nan 0.000 0.518 622 E N 0.280 120.489 120.200 0.015 0.000 2.320 622 E HA 0.575 4.924 4.350 -0.002 0.000 0.264 622 E C -2.857 173.769 176.600 0.044 0.000 0.923 622 E CA -2.326 54.089 56.400 0.026 0.000 0.796 622 E CB 1.529 31.245 29.700 0.026 0.000 1.262 622 E HN -0.236 nan 8.360 nan 0.000 0.428 623 P HA 0.112 nan 4.420 nan 0.000 0.279 623 P C -0.821 176.527 177.300 0.080 0.000 1.252 623 P CA -0.670 62.471 63.100 0.068 0.000 0.811 623 P CB 0.826 32.557 31.700 0.051 0.000 1.035 624 V N -0.204 119.788 119.914 0.131 0.000 2.417 624 V HA 0.637 4.756 4.120 -0.002 0.000 0.291 624 V C -0.016 176.140 176.094 0.103 0.000 1.024 624 V CA -0.675 61.709 62.300 0.140 0.000 0.861 624 V CB 1.329 33.330 31.823 0.297 0.000 0.985 624 V HN 0.392 nan 8.190 nan 0.000 0.436 625 R N 1.594 122.119 120.500 0.043 0.000 2.944 625 R HA 0.519 4.858 4.340 -0.002 0.000 0.233 625 R C -0.569 175.714 176.300 -0.028 0.000 1.346 625 R CA -0.660 55.448 56.100 0.015 0.000 1.082 625 R CB 0.439 30.740 30.300 0.002 0.000 1.434 625 R HN 0.845 nan 8.270 nan 0.000 0.510 626 D N 0.278 120.655 120.400 -0.038 0.000 2.755 626 D HA -0.169 4.470 4.640 -0.002 0.000 0.227 626 D C -0.755 175.463 176.300 -0.136 0.000 1.211 626 D CA 0.633 54.590 54.000 -0.072 0.000 0.663 626 D CB -1.480 39.276 40.800 -0.073 0.000 0.983 626 D HN 0.350 nan 8.370 nan 0.000 0.407 627 C N 0.731 119.953 119.300 -0.130 0.000 2.415 627 C HA 0.513 4.971 4.460 -0.002 0.000 0.369 627 C C 0.939 175.773 174.990 -0.259 0.000 1.279 627 C CA -0.779 58.073 59.018 -0.276 0.000 1.886 627 C CB 0.787 28.489 27.740 -0.064 0.000 2.468 627 C HN 0.245 nan 8.230 nan 0.000 0.553 628 V N 5.222 124.879 119.914 -0.428 0.000 2.638 628 V HA 0.474 4.593 4.120 -0.002 0.000 0.306 628 V C -0.356 175.591 176.094 -0.245 0.000 1.052 628 V CA -0.481 61.663 62.300 -0.260 0.000 0.885 628 V CB 1.848 33.541 31.823 -0.217 0.000 0.999 628 V HN 0.781 nan 8.190 nan 0.000 0.424 629 L N 5.570 126.747 121.223 -0.076 0.000 2.313 629 L HA 0.626 4.965 4.340 -0.002 0.000 0.283 629 L C -0.897 175.912 176.870 -0.101 0.000 1.013 629 L CA -0.399 54.440 54.840 -0.001 0.000 0.816 629 L CB 1.488 43.587 42.059 0.066 0.000 1.236 629 L HN 0.566 nan 8.230 nan 0.000 0.419 630 M N 5.879 125.415 119.600 -0.106 0.000 2.181 630 M HA 0.453 4.932 4.480 -0.002 0.000 0.323 630 M C -0.944 175.271 176.300 -0.141 0.000 1.004 630 M CA -0.574 54.645 55.300 -0.134 0.000 0.941 630 M CB 1.720 34.240 32.600 -0.133 0.000 1.579 630 M HN 0.209 nan 8.290 nan 0.000 0.427 631 V N 3.265 123.067 119.914 -0.186 0.000 2.656 631 V HA 0.683 4.802 4.120 -0.002 0.000 0.307 631 V C -0.375 175.641 176.094 -0.131 0.000 1.051 631 V CA -0.640 61.550 62.300 -0.182 0.000 0.893 631 V CB 2.377 33.984 31.823 -0.360 0.000 0.999 631 V HN 0.951 nan 8.190 nan 0.000 0.426 632 E N 2.304 122.451 120.200 -0.088 0.000 2.447 632 E HA 0.808 5.157 4.350 -0.002 0.000 0.279 632 E C -0.630 175.940 176.600 -0.050 0.000 1.053 632 E CA -0.954 55.405 56.400 -0.068 0.000 0.840 632 E CB 2.377 32.024 29.700 -0.089 0.000 1.409 632 E HN 1.176 nan 8.360 nan 0.000 0.461 633 G N 0.685 109.464 108.800 -0.034 0.000 1.834 633 G HA2 0.249 4.207 3.960 -0.002 0.000 0.247 633 G HA3 0.249 4.207 3.960 -0.002 0.000 0.247 633 G C -0.915 173.992 174.900 0.011 0.000 1.691 633 G CA -0.607 44.481 45.100 -0.019 0.000 0.922 633 G HN 0.400 nan 8.290 nan 0.000 0.682 634 S N 0.257 115.970 115.700 0.023 0.000 2.546 634 S HA 0.427 4.895 4.470 -0.002 0.000 0.290 634 S C 1.679 176.318 174.600 0.065 0.000 1.290 634 S CA 1.705 59.942 58.200 0.062 0.000 1.069 634 S CB 1.083 64.347 63.200 0.107 0.000 0.846 634 S HN 2.398 nan 8.310 nan 0.000 0.495 635 G N 1.986 110.824 108.800 0.064 0.000 2.179 635 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.260 635 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.260 635 G C 0.497 175.421 174.900 0.040 0.000 0.977 635 G CA 0.478 45.608 45.100 0.050 0.000 0.641 635 G HN 0.590 nan 8.290 nan 0.000 0.533 636 L N -0.703 120.545 121.223 0.042 0.000 2.526 636 L HA 0.500 4.839 4.340 -0.002 0.000 0.210 636 L C 0.773 177.673 176.870 0.050 0.000 1.048 636 L CA 0.623 55.489 54.840 0.044 0.000 0.852 636 L CB 0.155 42.242 42.059 0.046 0.000 1.128 636 L HN 0.434 nan 8.230 nan 0.000 0.482 637 L N -1.627 119.624 121.223 0.046 0.000 2.556 637 L HA 0.413 4.751 4.340 -0.002 0.000 0.257 637 L C -1.134 175.756 176.870 0.033 0.000 0.955 637 L CA -0.707 54.160 54.840 0.044 0.000 0.850 637 L CB 1.117 43.209 42.059 0.056 0.000 1.398 637 L HN -0.069 nan 8.230 nan 0.000 0.412 638 L N 3.722 124.964 121.223 0.032 0.000 2.456 638 L HA 0.539 4.877 4.340 -0.002 0.000 0.277 638 L C 1.430 178.311 176.870 0.018 0.000 1.124 638 L CA 1.114 55.972 54.840 0.030 0.000 0.880 638 L CB -0.225 41.853 42.059 0.032 0.000 1.192 638 L HN 1.144 nan 8.230 nan 0.000 0.463 639 G N 4.041 112.851 108.800 0.017 0.000 2.539 639 G HA2 -0.346 3.613 3.960 -0.002 0.000 0.256 639 G HA3 -0.346 3.613 3.960 -0.002 0.000 0.256 639 G C -0.384 174.506 174.900 -0.016 0.000 1.233 639 G CA 0.058 45.162 45.100 0.006 0.000 0.936 639 G HN 0.749 nan 8.290 nan 0.000 0.571 640 N N -0.370 118.317 118.700 -0.023 0.000 2.400 640 N HA 0.595 5.334 4.740 -0.002 0.000 0.288 640 N C -0.352 175.117 175.510 -0.069 0.000 1.024 640 N CA -0.687 52.333 53.050 -0.050 0.000 0.894 640 N CB 1.236 39.699 38.487 -0.040 0.000 1.173 640 N HN 0.691 nan 8.380 nan 0.000 0.487 641 L N 3.283 124.438 121.223 -0.113 0.000 2.257 641 L HA 0.404 4.743 4.340 -0.002 0.000 0.290 641 L C -0.479 176.291 176.870 -0.167 0.000 1.044 641 L CA -0.632 54.119 54.840 -0.148 0.000 0.810 641 L CB 0.552 42.469 42.059 -0.237 0.000 1.193 641 L HN 0.624 nan 8.230 nan 0.000 0.425 642 K N 6.434 126.761 120.400 -0.122 0.000 2.265 642 K HA 0.574 4.893 4.320 -0.002 0.000 0.267 642 K C -1.352 175.189 176.600 -0.098 0.000 0.994 642 K CA -0.494 55.726 56.287 -0.112 0.000 0.860 642 K CB 1.153 33.601 32.500 -0.086 0.000 1.099 642 K HN 0.593 nan 8.250 nan 0.000 0.448 643 I N 3.522 124.033 120.570 -0.098 0.000 2.466 643 I HA 0.186 4.354 4.170 -0.002 0.000 0.289 643 I C -0.601 175.496 176.117 -0.033 0.000 1.026 643 I CA -0.996 60.269 61.300 -0.058 0.000 1.078 643 I CB 1.952 39.919 38.000 -0.054 0.000 1.249 643 I HN 0.557 nan 8.210 nan 0.000 0.429 644 D N 5.912 126.300 120.400 -0.019 0.000 2.308 644 D HA 0.282 4.921 4.640 -0.002 0.000 0.251 644 D C -0.456 175.858 176.300 0.025 0.000 1.127 644 D CA 0.048 54.039 54.000 -0.014 0.000 0.876 644 D CB 2.363 43.155 40.800 -0.014 0.000 1.176 644 D HN 0.044 nan 8.370 nan 0.000 0.446 645 V N 4.782 124.721 119.914 0.041 0.000 2.459 645 V HA 0.281 4.399 4.120 -0.002 0.000 0.295 645 V C -1.835 174.310 176.094 0.085 0.000 1.029 645 V CA -1.536 60.826 62.300 0.103 0.000 0.874 645 V CB 1.768 33.729 31.823 0.229 0.000 0.985 645 V HN 0.460 nan 8.190 nan 0.000 0.438 646 P HA 0.040 nan 4.420 nan 0.000 0.269 646 P C 0.046 177.398 177.300 0.087 0.000 1.217 646 P CA -0.056 63.085 63.100 0.068 0.000 0.783 646 P CB 0.277 32.014 31.700 0.061 0.000 0.898 647 T N 1.970 116.564 114.554 0.067 0.000 2.908 647 T HA 0.053 4.402 4.350 -0.002 0.000 0.301 647 T C 0.291 175.050 174.700 0.099 0.000 1.019 647 T CA 0.383 62.529 62.100 0.076 0.000 1.152 647 T CB -0.312 68.587 68.868 0.051 0.000 0.966 647 T HN 0.229 nan 8.240 nan 0.000 0.540 648 L N 4.813 126.119 121.223 0.138 0.000 2.265 648 L HA 0.593 4.931 4.340 -0.002 0.000 0.289 648 L C 0.769 177.713 176.870 0.122 0.000 1.033 648 L CA -0.050 54.880 54.840 0.151 0.000 0.814 648 L CB 0.518 42.724 42.059 0.244 0.000 1.203 648 L HN 0.723 nan 8.230 nan 0.000 0.423 649 G N 4.989 113.838 108.800 0.082 0.000 2.684 649 G HA2 0.300 4.259 3.960 -0.002 0.000 0.255 649 G HA3 0.300 4.259 3.960 -0.002 0.000 0.255 649 G C -2.622 172.313 174.900 0.058 0.000 1.219 649 G CA -1.008 44.128 45.100 0.060 0.000 0.901 649 G HN 0.546 nan 8.290 nan 0.000 0.548 650 P HA 0.226 nan 4.420 nan 0.000 0.268 650 P C 0.063 177.368 177.300 0.008 0.000 1.204 650 P CA 0.078 63.195 63.100 0.029 0.000 0.768 650 P CB 0.723 32.432 31.700 0.016 0.000 0.842 651 K N -0.806 119.589 120.400 -0.008 0.000 3.529 651 K HA -0.188 4.130 4.320 -0.002 0.000 0.313 651 K C 0.431 177.005 176.600 -0.043 0.000 1.316 651 K CA 1.373 57.637 56.287 -0.038 0.000 0.988 651 K CB -1.304 31.176 32.500 -0.032 0.000 1.252 651 K HN 0.536 nan 8.250 nan 0.000 0.438 652 E N 0.418 120.607 120.200 -0.018 0.000 2.376 652 E HA 0.261 4.610 4.350 -0.002 0.000 0.254 652 E C -0.099 176.477 176.600 -0.040 0.000 1.213 652 E CA -0.409 55.983 56.400 -0.014 0.000 0.945 652 E CB 0.622 30.334 29.700 0.021 0.000 1.057 652 E HN 0.191 nan 8.360 nan 0.000 0.479 653 R N -0.076 120.406 120.500 -0.030 0.000 2.561 653 R HA 0.249 4.588 4.340 -0.002 0.000 0.297 653 R C -0.909 175.393 176.300 0.004 0.000 0.969 653 R CA -0.324 55.746 56.100 -0.050 0.000 0.879 653 R CB 1.614 31.871 30.300 -0.071 0.000 1.178 653 R HN 0.388 nan 8.270 nan 0.000 0.445 654 S N 3.208 118.927 115.700 0.032 0.000 2.430 654 S HA 0.301 4.769 4.470 -0.002 0.000 0.289 654 S C -0.538 174.076 174.600 0.024 0.000 1.143 654 S CA -0.589 57.645 58.200 0.058 0.000 1.067 654 S CB 0.417 63.677 63.200 0.100 0.000 0.964 654 S HN 0.472 nan 8.310 nan 0.000 0.485 655 R N 4.969 125.486 120.500 0.027 0.000 2.275 655 R HA 0.456 4.794 4.340 -0.002 0.000 0.326 655 R C -1.516 174.809 176.300 0.041 0.000 0.973 655 R CA -0.325 55.785 56.100 0.018 0.000 0.854 655 R CB 0.958 31.260 30.300 0.004 0.000 1.156 655 R HN 0.520 nan 8.270 nan 0.000 0.487 656 V N 4.947 124.898 119.914 0.062 0.000 2.513 656 V HA 0.555 4.674 4.120 -0.002 0.000 0.299 656 V C 0.299 176.465 176.094 0.119 0.000 1.035 656 V CA -0.856 61.510 62.300 0.110 0.000 0.889 656 V CB 2.092 34.010 31.823 0.160 0.000 0.988 656 V HN 0.596 nan 8.190 nan 0.000 0.440 657 R N 3.440 124.011 120.500 0.119 0.000 2.637 657 R HA 0.808 5.146 4.340 -0.002 0.000 0.291 657 R C -1.417 174.992 176.300 0.181 0.000 0.963 657 R CA -0.459 55.674 56.100 0.054 0.000 0.901 657 R CB 2.321 32.622 30.300 0.002 0.000 1.160 657 R HN 0.760 nan 8.270 nan 0.000 0.457 658 F N -1.342 118.610 119.950 0.003 0.000 2.703 658 F HA 0.454 4.980 4.527 -0.001 0.000 0.308 658 F C -1.604 174.197 175.800 0.001 0.000 1.126 658 F CA -1.310 56.692 58.000 0.004 0.000 0.959 658 F CB 1.265 40.268 39.000 0.005 0.000 1.297 658 F HN 0.229 nan 8.300 nan 0.000 0.441 659 D N 2.585 123.084 120.400 0.166 0.000 2.272 659 D HA 0.716 5.355 4.640 -0.002 0.000 0.247 659 D C -0.297 176.114 176.300 0.185 0.000 0.990 659 D CA -0.149 53.889 54.000 0.064 0.000 0.931 659 D CB 2.242 43.068 40.800 0.043 0.000 1.195 659 D HN 0.849 nan 8.370 nan 0.000 0.477 660 I N -2.318 118.312 120.570 0.101 0.000 2.934 660 I HA 0.620 4.789 4.170 -0.002 0.000 0.306 660 I C -1.529 174.624 176.117 0.061 0.000 1.110 660 I CA -1.169 60.203 61.300 0.120 0.000 1.019 660 I CB 2.181 40.263 38.000 0.137 0.000 1.227 660 I HN 0.075 nan 8.210 nan 0.000 0.434 661 L N 5.089 126.346 121.223 0.056 0.000 2.462 661 L HA 0.628 4.967 4.340 -0.002 0.000 0.255 661 L C -2.561 174.329 176.870 0.034 0.000 1.076 661 L CA -1.754 53.109 54.840 0.038 0.000 0.920 661 L CB 0.767 42.848 42.059 0.036 0.000 1.214 661 L HN 0.416 nan 8.230 nan 0.000 0.472 662 P HA 0.079 nan 4.420 nan 0.000 0.261 662 P C 0.185 177.499 177.300 0.023 0.000 1.173 662 P CA 0.436 63.551 63.100 0.026 0.000 0.760 662 P CB 0.662 32.373 31.700 0.019 0.000 0.783 663 S N 2.776 118.491 115.700 0.025 0.000 2.540 663 S HA 0.188 4.657 4.470 -0.002 0.000 0.222 663 S C 0.578 175.186 174.600 0.015 0.000 1.008 663 S CA -0.255 57.959 58.200 0.023 0.000 0.939 663 S CB 0.348 63.566 63.200 0.030 0.000 0.865 663 S HN 0.423 nan 8.310 nan 0.000 0.499 664 R N 1.644 122.152 120.500 0.013 0.000 2.584 664 R HA 0.461 4.799 4.340 -0.002 0.000 0.276 664 R C -1.045 175.258 176.300 0.004 0.000 1.046 664 R CA -0.157 55.944 56.100 0.002 0.000 0.906 664 R CB 1.849 32.145 30.300 -0.008 0.000 1.215 664 R HN 0.320 nan 8.270 nan 0.000 0.449 665 S N 1.637 117.337 115.700 -0.000 0.000 2.617 665 S HA 0.861 5.330 4.470 -0.002 0.000 0.269 665 S C 0.459 175.062 174.600 0.004 0.000 1.292 665 S CA 0.354 58.556 58.200 0.003 0.000 1.010 665 S CB 1.650 64.851 63.200 0.002 0.000 0.944 665 S HN 1.116 nan 8.310 nan 0.000 0.536 666 G N 0.253 109.058 108.800 0.007 0.000 2.331 666 G HA2 0.125 4.084 3.960 -0.002 0.000 0.402 666 G HA3 0.125 4.084 3.960 -0.002 0.000 0.402 666 G C -0.733 174.174 174.900 0.013 0.000 1.275 666 G CA -0.587 44.519 45.100 0.010 0.000 1.003 666 G HN 0.934 nan 8.290 nan 0.000 0.500 667 T N 2.792 117.356 114.554 0.015 0.000 2.782 667 T HA 0.484 4.833 4.350 -0.002 0.000 0.298 667 T C 0.308 175.021 174.700 0.021 0.000 0.944 667 T CA -0.125 61.984 62.100 0.015 0.000 1.001 667 T CB 0.396 69.272 68.868 0.013 0.000 0.932 667 T HN 0.493 nan 8.240 nan 0.000 0.524 668 K N 2.655 123.066 120.400 0.019 0.000 2.106 668 K HA 0.410 4.728 4.320 -0.002 0.000 0.246 668 K C -0.038 176.572 176.600 0.016 0.000 0.987 668 K CA -0.769 55.533 56.287 0.025 0.000 0.904 668 K CB 1.365 33.881 32.500 0.026 0.000 1.071 668 K HN 0.508 nan 8.250 nan 0.000 0.453 669 Q N 1.662 121.470 119.800 0.014 0.000 2.327 669 Q HA 0.328 4.666 4.340 -0.002 0.000 0.270 669 Q C -1.476 174.520 176.000 -0.007 0.000 1.022 669 Q CA -0.843 54.959 55.803 -0.002 0.000 0.773 669 Q CB 1.225 29.954 28.738 -0.014 0.000 1.251 669 Q HN 0.390 nan 8.270 nan 0.000 0.457 670 L N 5.332 126.555 121.223 0.000 0.000 2.289 670 L HA 0.556 4.894 4.340 -0.002 0.000 0.285 670 L C -1.701 175.165 176.870 -0.005 0.000 1.049 670 L CA -0.144 54.703 54.840 0.012 0.000 0.804 670 L CB 1.093 43.181 42.059 0.048 0.000 1.195 670 L HN 0.666 nan 8.230 nan 0.000 0.428 671 L N 5.003 126.211 121.223 -0.024 0.000 2.370 671 L HA 0.958 5.297 4.340 -0.002 0.000 0.266 671 L C -0.599 176.248 176.870 -0.039 0.000 1.002 671 L CA -0.751 54.062 54.840 -0.045 0.000 0.818 671 L CB 1.930 43.930 42.059 -0.097 0.000 1.325 671 L HN 0.773 nan 8.230 nan 0.000 0.418 672 A N 1.236 124.038 122.820 -0.029 0.000 2.520 672 A HA 0.629 4.948 4.320 -0.002 0.000 0.298 672 A C -1.870 175.705 177.584 -0.015 0.000 1.051 672 A CA -0.474 51.548 52.037 -0.024 0.000 0.690 672 A CB 1.986 20.995 19.000 0.016 0.000 1.281 672 A HN 0.736 nan 8.150 nan 0.000 0.402 673 D N 0.323 120.709 120.400 -0.023 0.000 2.505 673 D HA 0.621 5.260 4.640 -0.002 0.000 0.249 673 D C -1.474 174.840 176.300 0.024 0.000 1.082 673 D CA -0.093 53.897 54.000 -0.015 0.000 0.839 673 D CB 0.986 41.746 40.800 -0.066 0.000 1.317 673 D HN 0.329 nan 8.370 nan 0.000 0.497 674 F N 2.929 122.798 119.950 -0.134 0.000 2.477 674 F HA 0.586 5.112 4.527 -0.002 0.000 0.335 674 F C -1.169 174.533 175.800 -0.163 0.000 1.130 674 F CA -0.424 57.468 58.000 -0.179 0.000 0.948 674 F CB 1.626 40.458 39.000 -0.280 0.000 1.154 674 F HN 0.240 nan 8.300 nan 0.000 0.439 675 S N 4.847 120.115 115.700 -0.720 0.000 2.521 675 S HA 0.779 5.248 4.470 -0.002 0.000 0.295 675 S C -1.143 173.080 174.600 -0.629 0.000 1.098 675 S CA -0.597 57.307 58.200 -0.494 0.000 0.999 675 S CB 1.157 64.189 63.200 -0.279 0.000 1.034 675 S HN 0.887 nan 8.310 nan 0.000 0.483 676 C N 1.065 120.159 119.300 -0.344 0.000 3.318 676 C HA 0.530 4.989 4.460 -0.002 0.000 0.322 676 C C 1.546 176.482 174.990 -0.090 0.000 1.398 676 C CA -1.090 57.793 59.018 -0.225 0.000 1.339 676 C CB 0.373 28.025 27.740 -0.146 0.000 1.668 676 C HN 1.055 nan 8.230 nan 0.000 0.462 677 N N 1.263 119.921 118.700 -0.069 0.000 2.132 677 N HA -0.243 4.496 4.740 -0.002 0.000 0.191 677 N C 1.230 176.691 175.510 -0.080 0.000 1.015 677 N CA 1.556 54.569 53.050 -0.062 0.000 0.864 677 N CB -0.130 38.326 38.487 -0.052 0.000 1.006 677 N HN 0.705 nan 8.380 nan 0.000 0.430 678 K N -0.544 119.783 120.400 -0.121 0.000 2.356 678 K HA 0.108 4.427 4.320 -0.002 0.000 0.195 678 K C -0.359 175.985 176.600 -0.427 0.000 1.037 678 K CA 0.271 56.381 56.287 -0.295 0.000 1.014 678 K CB 0.430 32.676 32.500 -0.422 0.000 0.815 678 K HN 0.266 nan 8.250 nan 0.000 0.507 679 F N 3.252 123.245 119.950 0.071 0.000 2.564 679 F HA 0.243 4.769 4.527 -0.002 0.000 0.368 679 F C -2.340 173.460 175.800 0.001 0.000 1.127 679 F CA -2.222 55.823 58.000 0.076 0.000 1.170 679 F CB 1.746 40.819 39.000 0.122 0.000 1.397 679 F HN -0.184 nan 8.300 nan 0.000 0.493 680 P HA 0.177 nan 4.420 nan 0.000 0.276 680 P C -0.031 177.323 177.300 0.090 0.000 1.230 680 P CA 0.200 63.350 63.100 0.084 0.000 0.776 680 P CB 1.670 33.427 31.700 0.095 0.000 0.888 681 A N 3.468 126.298 122.820 0.017 0.000 2.416 681 A HA -0.176 4.142 4.320 -0.002 0.000 0.293 681 A C 0.244 177.854 177.584 0.043 0.000 1.452 681 A CA 0.295 52.342 52.037 0.017 0.000 0.738 681 A CB -2.470 16.553 19.000 0.038 0.000 1.123 681 A HN 0.482 nan 8.150 nan 0.000 0.389 682 I N 1.801 122.398 120.570 0.045 0.000 2.395 682 I HA 0.258 4.427 4.170 -0.002 0.000 0.289 682 I C 0.518 176.652 176.117 0.029 0.000 1.023 682 I CA -0.429 60.895 61.300 0.039 0.000 1.350 682 I CB 1.031 39.042 38.000 0.018 0.000 1.409 682 I HN 0.298 nan 8.210 nan 0.000 0.507 683 K N 5.382 125.786 120.400 0.007 0.000 2.156 683 K HA 0.840 5.159 4.320 -0.002 0.000 0.254 683 K C -0.762 175.831 176.600 -0.011 0.000 0.950 683 K CA -0.665 55.618 56.287 -0.006 0.000 0.849 683 K CB 2.198 34.682 32.500 -0.027 0.000 1.100 683 K HN 0.679 nan 8.250 nan 0.000 0.434 684 A N 2.251 125.065 122.820 -0.011 0.000 2.515 684 A HA 0.816 5.135 4.320 -0.002 0.000 0.298 684 A C -1.234 176.340 177.584 -0.018 0.000 1.059 684 A CA -0.767 51.263 52.037 -0.010 0.000 0.698 684 A CB 1.803 20.807 19.000 0.006 0.000 1.289 684 A HN 0.742 nan 8.150 nan 0.000 0.404 685 M N 2.054 121.642 119.600 -0.021 0.000 2.371 685 M HA 0.702 5.180 4.480 -0.002 0.000 0.287 685 M C -2.553 173.737 176.300 -0.018 0.000 1.149 685 M CA -0.861 54.424 55.300 -0.026 0.000 0.929 685 M CB 1.968 34.541 32.600 -0.046 0.000 1.683 685 M HN 0.781 nan 8.290 nan 0.000 0.470 686 L N 3.379 124.596 121.223 -0.011 0.000 2.482 686 L HA 0.497 4.836 4.340 -0.002 0.000 0.269 686 L C -1.154 175.712 176.870 -0.007 0.000 0.967 686 L CA 0.141 54.976 54.840 -0.008 0.000 0.851 686 L CB 2.121 44.180 42.059 0.001 0.000 1.242 686 L HN 0.748 nan 8.230 nan 0.000 0.404 687 S N 5.401 121.094 115.700 -0.011 0.000 2.548 687 S HA 0.715 5.183 4.470 -0.002 0.000 0.277 687 S C -0.324 174.273 174.600 -0.005 0.000 1.315 687 S CA -0.221 57.974 58.200 -0.007 0.000 1.050 687 S CB 0.079 63.274 63.200 -0.008 0.000 0.918 687 S HN 0.512 nan 8.310 nan 0.000 0.497 688 I N 3.697 124.267 120.570 0.000 0.000 2.534 688 I HA 0.286 4.455 4.170 -0.002 0.000 0.288 688 I C -1.078 175.041 176.117 0.003 0.000 1.077 688 I CA -0.818 60.482 61.300 -0.000 0.000 1.051 688 I CB 2.157 40.158 38.000 0.002 0.000 1.234 688 I HN 0.487 nan 8.210 nan 0.000 0.425 689 D N 6.539 126.939 120.400 -0.000 0.000 2.339 689 D HA 0.217 4.856 4.640 -0.002 0.000 0.241 689 D C -0.222 176.079 176.300 0.001 0.000 1.183 689 D CA -0.073 53.928 54.000 0.002 0.000 0.859 689 D CB 2.086 42.886 40.800 -0.000 0.000 1.067 689 D HN 0.037 nan 8.370 nan 0.000 0.484 690 V N 2.322 122.239 119.914 0.005 0.000 2.406 690 V HA 0.422 4.541 4.120 -0.002 0.000 0.272 690 V C 0.782 176.878 176.094 0.003 0.000 1.043 690 V CA -0.645 61.657 62.300 0.004 0.000 0.915 690 V CB 1.117 32.945 31.823 0.008 0.000 0.988 690 V HN 0.610 nan 8.190 nan 0.000 0.466 691 A N 4.198 127.019 122.820 0.002 0.000 2.271 691 A HA 0.647 4.966 4.320 -0.002 0.000 0.288 691 A C 0.096 177.682 177.584 0.003 0.000 1.094 691 A CA -0.305 51.733 52.037 0.002 0.000 0.828 691 A CB 0.727 19.727 19.000 -0.000 0.000 1.091 691 A HN 0.824 nan 8.150 nan 0.000 0.493 692 E N 0.000 120.202 120.200 0.003 0.000 2.725 692 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 692 E CA 0.000 56.402 56.400 0.003 0.000 0.976 692 E CB 0.000 29.702 29.700 0.004 0.000 0.812 692 E HN 0.000 nan 8.360 nan 0.000 0.440