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 1l9n_1_A 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 VFQKALGKLK XXXXXXXXXX XXXXXXXXXP 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 -0.014 0.000 1.274 1 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 1 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 2 A N 1.426 124.236 122.820 -0.017 0.000 2.555 2 A HA 0.445 4.871 4.320 0.176 0.000 0.233 2 A C 0.514 178.085 177.584 -0.023 0.000 1.060 2 A CA 0.217 52.242 52.037 -0.020 0.000 0.759 2 A CB -0.095 18.889 19.000 -0.027 0.000 0.995 2 A HN 2.076 nan 8.150 nan 0.000 0.506 3 L N 1.825 123.035 121.223 -0.021 0.000 2.485 3 L HA 0.507 4.953 4.340 0.176 0.000 0.275 3 L C 0.646 177.493 176.870 -0.038 0.000 1.207 3 L CA 1.707 56.532 54.840 -0.025 0.000 0.855 3 L CB 0.381 42.429 42.059 -0.018 0.000 1.114 3 L HN 1.008 nan 8.230 nan 0.000 0.485 4 G N 3.223 111.999 108.800 -0.040 0.000 2.623 4 G HA2 0.531 4.597 3.960 0.176 0.000 0.290 4 G HA3 0.531 4.597 3.960 0.176 0.000 0.290 4 G C -1.929 172.942 174.900 -0.049 0.000 1.437 4 G CA -0.625 44.446 45.100 -0.048 0.000 0.798 4 G HN 0.531 nan 8.290 nan 0.000 0.488 5 V N 0.604 120.485 119.914 -0.055 0.000 2.439 5 V HA 0.334 4.560 4.120 0.176 0.000 0.282 5 V C 0.872 176.943 176.094 -0.039 0.000 1.039 5 V CA -0.115 62.152 62.300 -0.054 0.000 0.913 5 V CB 1.446 33.230 31.823 -0.065 0.000 0.983 5 V HN 0.910 nan 8.190 nan 0.000 0.460 6 Q N 1.998 121.776 119.800 -0.036 0.000 2.304 6 Q HA 0.195 4.641 4.340 0.176 0.000 0.204 6 Q C 0.486 176.472 176.000 -0.022 0.000 0.936 6 Q CA 0.786 56.574 55.803 -0.025 0.000 0.878 6 Q CB 0.993 29.717 28.738 -0.023 0.000 0.983 6 Q HN 0.964 nan 8.270 nan 0.000 0.516 7 S N -1.040 114.638 115.700 -0.037 0.000 2.615 7 S HA 0.534 5.110 4.470 0.176 0.000 0.268 7 S C -1.420 173.126 174.600 -0.091 0.000 1.146 7 S CA -1.030 57.146 58.200 -0.040 0.000 0.818 7 S CB 1.245 64.432 63.200 -0.023 0.000 1.111 7 S HN 0.237 nan 8.310 nan 0.000 0.465 8 I N 1.168 121.659 120.570 -0.133 0.000 2.569 8 I HA 0.585 4.861 4.170 0.176 0.000 0.290 8 I C -1.580 174.347 176.117 -0.317 0.000 1.088 8 I CA -0.528 60.592 61.300 -0.301 0.000 1.047 8 I CB 1.970 39.650 38.000 -0.534 0.000 1.237 8 I HN 0.786 nan 8.210 nan 0.000 0.421 9 N N 6.494 125.029 118.700 -0.274 0.000 2.501 9 N HA 0.199 5.044 4.740 0.176 0.000 0.245 9 N C -0.343 175.092 175.510 -0.126 0.000 0.974 9 N CA -0.356 52.620 53.050 -0.124 0.000 0.941 9 N CB 0.739 39.193 38.487 -0.054 0.000 1.122 9 N HN 0.778 nan 8.380 nan 0.000 0.507 10 W N 1.870 123.218 121.300 0.080 0.000 2.937 10 W HA 0.121 4.887 4.660 0.177 0.000 0.245 10 W C 0.831 177.416 176.519 0.109 0.000 1.306 10 W CA -0.227 57.179 57.345 0.101 0.000 1.470 10 W CB -0.037 29.477 29.460 0.090 0.000 1.132 10 W HN 0.505 nan 8.180 nan 0.000 0.675 11 Q N -0.055 119.904 119.800 0.265 0.000 2.423 11 Q HA -0.266 4.180 4.340 0.176 0.000 0.332 11 Q C 1.052 177.213 176.000 0.269 0.000 1.355 11 Q CA 0.779 56.720 55.803 0.230 0.000 0.947 11 Q CB -1.640 27.217 28.738 0.198 0.000 1.189 11 Q HN 0.260 nan 8.270 nan 0.000 0.418 12 T N -0.730 113.959 114.554 0.226 0.000 2.665 12 T HA -0.256 4.200 4.350 0.176 0.000 0.268 12 T C 1.826 176.585 174.700 0.098 0.000 1.035 12 T CA 1.552 63.737 62.100 0.142 0.000 1.151 12 T CB -0.162 68.770 68.868 0.106 0.000 0.862 12 T HN 0.676 nan 8.240 nan 0.000 0.438 13 A N 1.191 124.079 122.820 0.114 0.000 1.865 13 A HA -0.099 4.327 4.320 0.176 0.000 0.217 13 A C 2.058 179.694 177.584 0.086 0.000 1.191 13 A CA 1.864 53.953 52.037 0.086 0.000 0.623 13 A CB -1.162 17.895 19.000 0.096 0.000 0.826 13 A HN 0.519 nan 8.150 nan 0.000 0.444 14 F N 1.367 121.330 119.950 0.022 0.000 2.069 14 F HA -0.252 4.381 4.527 0.176 0.000 0.298 14 F C 2.205 178.012 175.800 0.013 0.000 1.113 14 F CA 2.286 60.296 58.000 0.018 0.000 1.214 14 F CB -0.212 38.806 39.000 0.030 0.000 0.978 14 F HN 0.225 nan 8.300 nan 0.000 0.474 15 N N 0.620 119.268 118.700 -0.086 0.000 2.106 15 N HA -0.132 4.714 4.740 0.176 0.000 0.188 15 N C 1.943 177.309 175.510 -0.239 0.000 1.029 15 N CA 1.413 54.339 53.050 -0.206 0.000 0.848 15 N CB -0.509 37.947 38.487 -0.051 0.000 1.007 15 N HN 0.385 nan 8.380 nan 0.000 0.423 16 R N 0.837 121.242 120.500 -0.158 0.000 2.120 16 R HA -0.079 4.367 4.340 0.176 0.000 0.234 16 R C 2.170 178.379 176.300 -0.153 0.000 1.123 16 R CA 0.828 56.858 56.100 -0.116 0.000 0.975 16 R CB -0.109 30.167 30.300 -0.041 0.000 0.866 16 R HN 0.276 nan 8.270 nan 0.000 0.446 17 Q N 0.735 120.419 119.800 -0.194 0.000 2.046 17 Q HA -0.085 4.361 4.340 0.176 0.000 0.200 17 Q C 1.964 177.728 176.000 -0.394 0.000 0.975 17 Q CA 2.017 57.681 55.803 -0.231 0.000 0.836 17 Q CB -0.107 28.521 28.738 -0.183 0.000 0.896 17 Q HN 0.330 nan 8.270 nan 0.000 0.428 18 A N -0.094 122.450 122.820 -0.460 0.000 1.969 18 A HA -0.138 4.288 4.320 0.176 0.000 0.218 18 A C 1.635 178.810 177.584 -0.682 0.000 1.169 18 A CA 1.081 52.801 52.037 -0.528 0.000 0.635 18 A CB -0.687 18.022 19.000 -0.486 0.000 0.810 18 A HN 0.498 nan 8.150 nan 0.000 0.445 19 H N -1.501 117.207 119.070 -0.604 0.000 2.539 19 H HA 0.033 4.695 4.556 0.176 0.000 0.267 19 H C -0.360 174.628 175.328 -0.566 0.000 0.982 19 H CA 0.363 56.110 56.048 -0.500 0.000 1.146 19 H CB 0.048 29.667 29.762 -0.238 0.000 1.382 19 H HN 0.661 nan 8.280 nan 0.000 0.577 20 H N 0.083 118.949 119.070 -0.340 0.000 2.770 20 H HA -0.118 4.543 4.556 0.176 0.000 0.309 20 H C 0.738 175.966 175.328 -0.168 0.000 1.206 20 H CA 1.180 56.973 56.048 -0.425 0.000 1.147 20 H CB -2.324 26.746 29.762 -1.153 0.000 1.422 20 H HN 0.521 nan 8.280 nan 0.000 0.420 21 T N -3.396 111.168 114.554 0.017 0.000 3.170 21 T HA 0.022 4.478 4.350 0.176 0.000 0.288 21 T C 1.215 176.008 174.700 0.155 0.000 0.992 21 T CA 0.166 62.396 62.100 0.216 0.000 0.909 21 T CB 0.465 69.504 68.868 0.284 0.000 1.133 21 T HN 0.396 nan 8.240 nan 0.000 0.530 22 D N 1.913 122.306 120.400 -0.012 0.000 2.312 22 D HA -0.098 4.647 4.640 0.176 0.000 0.211 22 D C 1.523 177.760 176.300 -0.106 0.000 0.964 22 D CA 0.384 54.362 54.000 -0.038 0.000 0.877 22 D CB 0.042 40.800 40.800 -0.071 0.000 0.924 22 D HN 0.359 nan 8.370 nan 0.000 0.515 23 K N 0.022 120.238 120.400 -0.306 0.000 2.228 23 K HA 0.016 4.442 4.320 0.176 0.000 0.202 23 K C 0.538 176.931 176.600 -0.346 0.000 1.051 23 K CA 0.009 55.945 56.287 -0.584 0.000 0.960 23 K CB -0.143 31.506 32.500 -1.419 0.000 0.743 23 K HN 0.172 nan 8.250 nan 0.000 0.458 24 F N 2.136 122.113 119.950 0.045 0.000 2.578 24 F HA -0.108 4.527 4.527 0.180 0.000 0.376 24 F C 1.893 177.757 175.800 0.107 0.000 1.085 24 F CA -0.086 58.044 58.000 0.217 0.000 1.260 24 F CB 0.509 39.637 39.000 0.214 0.000 1.095 24 F HN 0.050 nan 8.300 nan 0.000 0.573 25 S N 0.431 116.316 115.700 0.307 0.000 2.469 25 S HA -0.128 4.447 4.470 0.176 0.000 0.238 25 S C 1.107 175.794 174.600 0.146 0.000 0.998 25 S CA 0.333 58.640 58.200 0.178 0.000 0.957 25 S CB -0.379 62.915 63.200 0.156 0.000 0.764 25 S HN 0.583 nan 8.310 nan 0.000 0.514 26 S N 0.689 116.492 115.700 0.171 0.000 2.569 26 S HA 0.060 4.636 4.470 0.176 0.000 0.274 26 S C 0.965 175.608 174.600 0.071 0.000 1.353 26 S CA -0.272 57.986 58.200 0.096 0.000 1.023 26 S CB 0.406 63.642 63.200 0.060 0.000 0.876 26 S HN 0.442 nan 8.310 nan 0.000 0.540 27 Q N 1.020 120.843 119.800 0.038 0.000 2.282 27 Q HA 0.235 4.681 4.340 0.176 0.000 0.206 27 Q C 0.069 176.070 176.000 0.002 0.000 0.878 27 Q CA 0.246 56.066 55.803 0.028 0.000 0.944 27 Q CB 0.136 28.890 28.738 0.026 0.000 1.100 27 Q HN 0.721 nan 8.270 nan 0.000 0.509 28 E N 0.790 120.979 120.200 -0.017 0.000 2.409 28 E HA 0.080 4.536 4.350 0.176 0.000 0.257 28 E C -0.401 176.156 176.600 -0.072 0.000 1.150 28 E CA -0.393 55.969 56.400 -0.062 0.000 0.942 28 E CB 0.745 30.401 29.700 -0.073 0.000 0.979 28 E HN -0.083 nan 8.360 nan 0.000 0.447 29 L N 3.153 124.297 121.223 -0.133 0.000 2.325 29 L HA 0.249 4.695 4.340 0.176 0.000 0.284 29 L C -0.981 175.822 176.870 -0.112 0.000 1.089 29 L CA 0.525 55.277 54.840 -0.147 0.000 0.836 29 L CB -0.094 41.803 42.059 -0.271 0.000 1.184 29 L HN 0.342 nan 8.230 nan 0.000 0.444 30 I N 6.726 127.242 120.570 -0.091 0.000 2.355 30 I HA 0.377 4.653 4.170 0.176 0.000 0.288 30 I C -0.419 175.643 176.117 -0.091 0.000 0.999 30 I CA -0.395 60.868 61.300 -0.062 0.000 1.163 30 I CB 1.123 39.111 38.000 -0.021 0.000 1.316 30 I HN 0.529 nan 8.210 nan 0.000 0.454 31 L N 5.990 127.157 121.223 -0.093 0.000 2.256 31 L HA 0.667 5.113 4.340 0.176 0.000 0.261 31 L C -0.324 176.620 176.870 0.123 0.000 1.022 31 L CA -0.995 53.773 54.840 -0.120 0.000 0.828 31 L CB 1.949 43.729 42.059 -0.465 0.000 1.374 31 L HN 0.480 nan 8.230 nan 0.000 0.436 32 R N 0.541 121.239 120.500 0.330 0.000 2.534 32 R HA 0.420 4.866 4.340 0.176 0.000 0.301 32 R C -0.864 175.521 176.300 0.142 0.000 0.961 32 R CA -0.940 55.292 56.100 0.219 0.000 0.871 32 R CB 2.196 32.635 30.300 0.231 0.000 1.170 32 R HN 0.585 nan 8.270 nan 0.000 0.446 33 R N 0.606 121.148 120.500 0.069 0.000 2.756 33 R HA 0.134 4.580 4.340 0.176 0.000 0.264 33 R C 0.502 176.789 176.300 -0.022 0.000 1.026 33 R CA 0.718 56.804 56.100 -0.022 0.000 1.121 33 R CB 0.078 30.353 30.300 -0.040 0.000 0.999 33 R HN 0.800 nan 8.270 nan 0.000 0.449 34 G N 0.059 108.789 108.800 -0.117 0.000 2.155 34 G HA2 -0.356 3.710 3.960 0.176 0.000 0.257 34 G HA3 -0.356 3.710 3.960 0.176 0.000 0.257 34 G C -0.108 174.750 174.900 -0.070 0.000 0.983 34 G CA 0.739 45.778 45.100 -0.101 0.000 0.676 34 G HN 0.772 nan 8.290 nan 0.000 0.528 35 Q N -0.075 119.698 119.800 -0.045 0.000 2.347 35 Q HA 0.433 4.878 4.340 0.176 0.000 0.271 35 Q C -0.462 175.610 176.000 0.120 0.000 1.064 35 Q CA -0.992 54.774 55.803 -0.060 0.000 0.800 35 Q CB 0.866 29.419 28.738 -0.309 0.000 1.304 35 Q HN 0.245 nan 8.270 nan 0.000 0.438 36 N N 2.596 121.351 118.700 0.091 0.000 2.453 36 N HA 0.267 5.113 4.740 0.176 0.000 0.253 36 N C -0.812 174.939 175.510 0.402 0.000 1.252 36 N CA 0.495 53.633 53.050 0.146 0.000 0.917 36 N CB 0.305 38.804 38.487 0.020 0.000 1.117 36 N HN 0.403 nan 8.380 nan 0.000 0.442 37 F N -1.823 118.187 119.950 0.102 0.000 2.588 37 F HA 0.466 5.098 4.527 0.176 0.000 0.310 37 F C -0.301 175.548 175.800 0.081 0.000 1.082 37 F CA -1.199 56.851 58.000 0.082 0.000 0.929 37 F CB 1.312 40.243 39.000 -0.115 0.000 1.254 37 F HN 0.263 nan 8.300 nan 0.000 0.455 38 Q N 2.559 122.500 119.800 0.236 0.000 2.312 38 Q HA 0.750 5.196 4.340 0.176 0.000 0.263 38 Q C -1.493 174.568 176.000 0.102 0.000 0.995 38 Q CA -0.995 54.856 55.803 0.080 0.000 0.853 38 Q CB 2.438 31.241 28.738 0.108 0.000 1.300 38 Q HN 0.939 nan 8.270 nan 0.000 0.448 39 V N 0.898 120.799 119.914 -0.021 0.000 2.962 39 V HA 0.652 4.878 4.120 0.176 0.000 0.313 39 V C -1.528 174.511 176.094 -0.091 0.000 1.099 39 V CA -1.071 61.206 62.300 -0.039 0.000 0.971 39 V CB 1.900 33.660 31.823 -0.105 0.000 1.028 39 V HN 0.625 nan 8.190 nan 0.000 0.430 40 L N 3.821 124.975 121.223 -0.115 0.000 2.305 40 L HA 0.659 5.105 4.340 0.176 0.000 0.284 40 L C -0.198 176.594 176.870 -0.131 0.000 1.013 40 L CA -0.382 54.397 54.840 -0.101 0.000 0.819 40 L CB 1.305 43.315 42.059 -0.082 0.000 1.227 40 L HN 0.807 nan 8.230 nan 0.000 0.417 41 M N 4.613 124.157 119.600 -0.093 0.000 2.072 41 M HA 0.505 5.091 4.480 0.176 0.000 0.331 41 M C -0.840 175.421 176.300 -0.065 0.000 1.004 41 M CA -0.329 54.914 55.300 -0.094 0.000 0.952 41 M CB 0.964 33.531 32.600 -0.055 0.000 1.511 41 M HN 0.403 nan 8.290 nan 0.000 0.422 42 I N 6.077 126.607 120.570 -0.068 0.000 2.308 42 I HA 0.172 4.448 4.170 0.176 0.000 0.293 42 I C -0.078 176.012 176.117 -0.044 0.000 1.078 42 I CA -0.390 60.881 61.300 -0.048 0.000 1.292 42 I CB 0.545 38.519 38.000 -0.043 0.000 1.423 42 I HN 0.587 nan 8.210 nan 0.000 0.493 43 M N 5.150 124.728 119.600 -0.037 0.000 2.369 43 M HA 0.194 4.780 4.480 0.176 0.000 0.291 43 M C 1.166 177.450 176.300 -0.028 0.000 1.178 43 M CA -0.500 54.779 55.300 -0.035 0.000 0.996 43 M CB 0.402 32.983 32.600 -0.032 0.000 1.472 43 M HN 0.515 nan 8.290 nan 0.000 0.496 44 N N 0.571 119.255 118.700 -0.026 0.000 2.398 44 N HA -0.011 4.835 4.740 0.176 0.000 0.188 44 N C -0.360 175.139 175.510 -0.018 0.000 1.122 44 N CA 0.294 53.332 53.050 -0.021 0.000 0.866 44 N CB 0.165 38.639 38.487 -0.021 0.000 0.970 44 N HN 0.745 nan 8.380 nan 0.000 0.462 45 K N -2.977 117.413 120.400 -0.018 0.000 2.680 45 K HA 0.513 4.939 4.320 0.176 0.000 0.295 45 K C -0.613 175.980 176.600 -0.013 0.000 1.052 45 K CA -0.957 55.322 56.287 -0.014 0.000 0.863 45 K CB 0.212 32.704 32.500 -0.012 0.000 1.549 45 K HN -0.134 nan 8.250 nan 0.000 0.391 46 G N 0.993 109.788 108.800 -0.010 0.000 2.403 46 G HA2 0.296 4.362 3.960 0.176 0.000 0.259 46 G HA3 0.296 4.362 3.960 0.176 0.000 0.259 46 G C -0.280 174.617 174.900 -0.006 0.000 1.244 46 G CA -0.836 44.259 45.100 -0.008 0.000 0.849 46 G HN 0.573 nan 8.290 nan 0.000 0.532 47 L N 2.616 123.836 121.223 -0.004 0.000 2.660 47 L HA 0.179 4.625 4.340 0.176 0.000 0.272 47 L C 1.205 178.076 176.870 0.002 0.000 1.194 47 L CA -0.269 54.571 54.840 -0.000 0.000 0.945 47 L CB -0.213 41.848 42.059 0.004 0.000 1.212 47 L HN 0.550 nan 8.230 nan 0.000 0.490 48 G N 2.387 111.189 108.800 0.003 0.000 2.503 48 G HA2 0.197 4.263 3.960 0.176 0.000 0.257 48 G HA3 0.197 4.263 3.960 0.176 0.000 0.257 48 G C 0.979 175.882 174.900 0.005 0.000 1.214 48 G CA 0.069 45.172 45.100 0.004 0.000 0.839 48 G HN 0.872 nan 8.290 nan 0.000 0.559 49 S N 0.644 116.346 115.700 0.004 0.000 2.400 49 S HA -0.189 4.387 4.470 0.176 0.000 0.232 49 S C 1.565 176.166 174.600 0.002 0.000 1.025 49 S CA 1.432 59.634 58.200 0.002 0.000 0.993 49 S CB -0.148 63.053 63.200 0.001 0.000 0.808 49 S HN 0.570 nan 8.310 nan 0.000 0.478 50 N N 1.639 120.342 118.700 0.006 0.000 2.320 50 N HA 0.225 5.071 4.740 0.176 0.000 0.237 50 N C -0.601 174.922 175.510 0.021 0.000 1.129 50 N CA -0.246 52.809 53.050 0.009 0.000 0.854 50 N CB 0.252 38.746 38.487 0.011 0.000 1.083 50 N HN 0.567 nan 8.380 nan 0.000 0.504 51 E N -0.096 120.117 120.200 0.022 0.000 2.281 51 E HA 0.457 4.913 4.350 0.176 0.000 0.262 51 E C -0.749 175.872 176.600 0.035 0.000 0.933 51 E CA -0.916 55.511 56.400 0.044 0.000 0.809 51 E CB 2.323 32.044 29.700 0.034 0.000 1.242 51 E HN 0.064 nan 8.360 nan 0.000 0.418 52 R N 1.811 122.357 120.500 0.076 0.000 2.566 52 R HA 0.389 4.835 4.340 0.176 0.000 0.271 52 R C -1.844 174.516 176.300 0.101 0.000 1.071 52 R CA -0.492 55.627 56.100 0.033 0.000 0.915 52 R CB 0.987 31.215 30.300 -0.119 0.000 1.228 52 R HN 0.451 nan 8.270 nan 0.000 0.449 53 L N 3.554 124.790 121.223 0.023 0.000 2.313 53 L HA 0.519 4.965 4.340 0.176 0.000 0.283 53 L C -0.313 176.508 176.870 -0.082 0.000 1.013 53 L CA -0.744 54.059 54.840 -0.062 0.000 0.816 53 L CB 1.924 43.886 42.059 -0.161 0.000 1.236 53 L HN 0.536 nan 8.230 nan 0.000 0.419 54 E N 3.406 123.535 120.200 -0.120 0.000 2.185 54 E HA 0.373 4.828 4.350 0.176 0.000 0.261 54 E C -1.266 175.148 176.600 -0.310 0.000 0.879 54 E CA -0.560 55.779 56.400 -0.103 0.000 0.756 54 E CB 2.285 32.019 29.700 0.057 0.000 1.152 54 E HN 0.240 nan 8.360 nan 0.000 0.416 55 F N 2.438 122.115 119.950 -0.455 0.000 2.412 55 F HA 0.356 4.988 4.527 0.175 0.000 0.348 55 F C 0.722 176.165 175.800 -0.595 0.000 1.102 55 F CA -0.293 57.340 58.000 -0.612 0.000 1.196 55 F CB 0.686 39.064 39.000 -1.038 0.000 1.144 55 F HN 0.245 nan 8.300 nan 0.000 0.541 56 I N 4.380 124.879 120.570 -0.118 0.000 2.439 56 I HA 0.415 4.691 4.170 0.176 0.000 0.285 56 I C -1.042 175.111 176.117 0.061 0.000 1.021 56 I CA -1.012 60.265 61.300 -0.037 0.000 1.091 56 I CB 1.650 39.640 38.000 -0.017 0.000 1.242 56 I HN 0.319 nan 8.210 nan 0.000 0.439 57 V N 2.870 122.810 119.914 0.044 0.000 2.680 57 V HA 0.954 5.180 4.120 0.176 0.000 0.309 57 V C -0.210 175.921 176.094 0.061 0.000 1.052 57 V CA -0.392 61.956 62.300 0.081 0.000 0.908 57 V CB 1.655 33.421 31.823 -0.096 0.000 1.001 57 V HN 0.817 nan 8.190 nan 0.000 0.431 58 S N 1.565 117.336 115.700 0.119 0.000 2.537 58 S HA 0.787 5.363 4.470 0.176 0.000 0.271 58 S C -0.675 173.787 174.600 -0.231 0.000 1.148 58 S CA -0.346 57.849 58.200 -0.010 0.000 0.868 58 S CB 1.814 65.001 63.200 -0.022 0.000 1.115 58 S HN 1.496 nan 8.310 nan 0.000 0.461 59 T N 0.469 114.775 114.554 -0.413 0.000 2.909 59 T HA 0.786 5.241 4.350 0.176 0.000 0.299 59 T C 0.201 174.733 174.700 -0.279 0.000 1.073 59 T CA 0.946 62.708 62.100 -0.563 0.000 0.999 59 T CB 0.726 68.896 68.868 -1.164 0.000 1.098 59 T HN 2.530 nan 8.240 nan 0.000 0.477 60 G N 4.547 113.227 108.800 -0.200 0.000 2.712 60 G HA2 -0.059 4.007 3.960 0.176 0.000 0.683 60 G HA3 -0.059 4.007 3.960 0.176 0.000 0.683 60 G C -2.067 172.760 174.900 -0.122 0.000 1.320 60 G CA -0.181 44.872 45.100 -0.079 0.000 0.847 60 G HN 0.647 nan 8.290 nan 0.000 0.553 61 P HA 0.149 nan 4.420 nan 0.000 0.245 61 P C -0.207 176.666 177.300 -0.711 0.000 1.206 61 P CA 1.052 63.865 63.100 -0.479 0.000 0.781 61 P CB 0.131 31.453 31.700 -0.629 0.000 0.994 62 Y N 0.032 120.318 120.300 -0.024 0.000 2.477 62 Y HA 0.399 4.931 4.550 -0.030 0.000 0.340 62 Y C -2.451 173.433 175.900 -0.026 0.000 0.987 62 Y CA -3.147 54.935 58.100 -0.030 0.000 1.127 62 Y CB -0.084 38.350 38.460 -0.044 0.000 1.139 62 Y HN -0.061 nan 8.280 nan 0.000 0.637 63 P HA 0.165 nan 4.420 nan 0.000 0.267 63 P C -0.186 177.148 177.300 0.055 0.000 1.205 63 P CA 0.345 63.464 63.100 0.032 0.000 0.765 63 P CB 0.943 32.638 31.700 -0.008 0.000 0.828 64 S N 0.624 116.358 115.700 0.056 0.000 2.536 64 S HA 0.277 4.853 4.470 0.176 0.000 0.271 64 S C 0.653 175.292 174.600 0.065 0.000 1.134 64 S CA -0.830 57.404 58.200 0.056 0.000 0.897 64 S CB 1.634 64.865 63.200 0.051 0.000 1.094 64 S HN 0.361 nan 8.310 nan 0.000 0.473 65 E N 1.641 121.881 120.200 0.067 0.000 2.110 65 E HA -0.145 4.310 4.350 0.176 0.000 0.193 65 E C 1.971 178.621 176.600 0.084 0.000 0.988 65 E CA 1.557 58.008 56.400 0.084 0.000 0.804 65 E CB -0.199 29.551 29.700 0.083 0.000 0.745 65 E HN 0.853 nan 8.360 nan 0.000 0.458 66 S N 1.031 116.769 115.700 0.064 0.000 2.402 66 S HA -0.045 4.531 4.470 0.176 0.000 0.229 66 S C 2.091 176.724 174.600 0.056 0.000 1.021 66 S CA 0.865 59.098 58.200 0.055 0.000 0.974 66 S CB -0.017 63.206 63.200 0.038 0.000 0.800 66 S HN 0.258 nan 8.310 nan 0.000 0.484 67 A N 0.776 123.630 122.820 0.056 0.000 2.251 67 A HA 0.508 4.933 4.320 0.176 0.000 0.209 67 A C 1.174 178.806 177.584 0.080 0.000 1.187 67 A CA 0.523 52.592 52.037 0.053 0.000 0.823 67 A CB -0.511 18.513 19.000 0.040 0.000 0.846 67 A HN 0.419 nan 8.150 nan 0.000 0.486 68 M N -1.630 118.037 119.600 0.111 0.000 2.943 68 M HA -0.161 4.424 4.480 0.176 0.000 0.198 68 M C 0.991 177.411 176.300 0.201 0.000 0.606 68 M CA 1.648 57.053 55.300 0.174 0.000 0.744 68 M CB -3.307 29.398 32.600 0.175 0.000 2.671 68 M HN 0.732 nan 8.290 nan 0.000 0.342 69 T N -2.416 112.212 114.554 0.125 0.000 3.188 69 T HA 0.400 4.856 4.350 0.176 0.000 0.250 69 T C 0.400 175.138 174.700 0.062 0.000 1.077 69 T CA 0.353 62.500 62.100 0.079 0.000 0.967 69 T CB 0.810 69.690 68.868 0.020 0.000 1.006 69 T HN 0.529 nan 8.240 nan 0.000 0.552 70 K N 0.094 120.551 120.400 0.096 0.000 2.557 70 K HA 0.625 5.051 4.320 0.176 0.000 0.257 70 K C -2.224 174.405 176.600 0.049 0.000 0.933 70 K CA -0.701 55.617 56.287 0.052 0.000 0.820 70 K CB 2.007 34.532 32.500 0.043 0.000 1.330 70 K HN 0.131 nan 8.250 nan 0.000 0.432 71 A N 2.547 125.350 122.820 -0.028 0.000 2.486 71 A HA 0.671 5.097 4.320 0.176 0.000 0.300 71 A C -1.632 176.043 177.584 0.151 0.000 1.048 71 A CA -0.651 51.406 52.037 0.033 0.000 0.696 71 A CB 1.949 20.836 19.000 -0.189 0.000 1.278 71 A HN 0.293 nan 8.150 nan 0.000 0.405 72 V N 2.611 122.667 119.914 0.237 0.000 2.444 72 V HA 0.716 4.942 4.120 0.176 0.000 0.294 72 V C -1.187 175.101 176.094 0.324 0.000 1.022 72 V CA -0.342 62.062 62.300 0.174 0.000 0.850 72 V CB 0.660 32.542 31.823 0.100 0.000 0.992 72 V HN 0.873 nan 8.190 nan 0.000 0.426 73 F N 4.245 124.289 119.950 0.156 0.000 2.578 73 F HA 0.935 5.567 4.527 0.174 0.000 0.311 73 F C -3.177 172.758 175.800 0.224 0.000 1.094 73 F CA -3.391 54.712 58.000 0.172 0.000 0.923 73 F CB 1.542 40.653 39.000 0.186 0.000 1.230 73 F HN 0.232 nan 8.300 nan 0.000 0.450 74 P HA 0.248 nan 4.420 nan 0.000 0.281 74 P C -0.741 176.716 177.300 0.262 0.000 1.249 74 P CA -0.495 62.714 63.100 0.182 0.000 0.810 74 P CB 1.255 33.011 31.700 0.094 0.000 1.008 75 L N 1.987 123.371 121.223 0.268 0.000 2.536 75 L HA 0.369 4.815 4.340 0.176 0.000 0.282 75 L C -0.222 176.733 176.870 0.142 0.000 1.147 75 L CA 0.776 55.776 54.840 0.267 0.000 0.936 75 L CB -1.480 40.756 42.059 0.295 0.000 1.279 75 L HN 0.291 nan 8.230 nan 0.000 0.461 76 S N 4.973 120.745 115.700 0.120 0.000 2.649 76 S HA 0.448 5.024 4.470 0.176 0.000 0.274 76 S C -0.557 174.075 174.600 0.053 0.000 1.176 76 S CA -0.947 57.298 58.200 0.075 0.000 0.988 76 S CB 0.443 63.686 63.200 0.072 0.000 1.071 76 S HN 0.724 nan 8.310 nan 0.000 0.478 77 N N 2.273 120.992 118.700 0.032 0.000 2.187 77 N HA 0.197 5.043 4.740 0.176 0.000 0.236 77 N C 0.699 176.218 175.510 0.015 0.000 1.244 77 N CA 2.134 55.194 53.050 0.016 0.000 0.850 77 N CB -0.047 38.446 38.487 0.011 0.000 1.090 77 N HN 1.307 nan 8.380 nan 0.000 0.450 78 G N -0.321 108.481 108.800 0.003 0.000 2.712 78 G HA2 -0.113 3.953 3.960 0.176 0.000 0.686 78 G HA3 -0.113 3.953 3.960 0.176 0.000 0.686 78 G C -0.568 174.329 174.900 -0.006 0.000 1.321 78 G CA -0.165 44.934 45.100 -0.000 0.000 0.813 78 G HN 0.958 nan 8.290 nan 0.000 0.599 79 S N -0.109 115.581 115.700 -0.016 0.000 2.449 79 S HA 0.716 5.291 4.470 0.176 0.000 0.310 79 S C 1.005 175.591 174.600 -0.023 0.000 1.096 79 S CA 0.336 58.516 58.200 -0.032 0.000 1.095 79 S CB 2.082 65.252 63.200 -0.051 0.000 1.007 79 S HN 1.321 nan 8.310 nan 0.000 0.474 80 S N 2.516 118.205 115.700 -0.019 0.000 2.555 80 S HA 0.271 4.847 4.470 0.176 0.000 0.230 80 S C 1.777 176.364 174.600 -0.021 0.000 0.978 80 S CA 0.679 58.877 58.200 -0.003 0.000 0.934 80 S CB -0.534 62.680 63.200 0.024 0.000 0.766 80 S HN 1.499 nan 8.310 nan 0.000 0.533 81 G N 0.556 109.325 108.800 -0.052 0.000 2.420 81 G HA2 -0.221 3.845 3.960 0.176 0.000 0.221 81 G HA3 -0.221 3.845 3.960 0.176 0.000 0.221 81 G C 0.574 175.409 174.900 -0.109 0.000 1.117 81 G CA 0.089 45.149 45.100 -0.066 0.000 0.657 81 G HN 0.746 nan 8.290 nan 0.000 0.512 82 G N -0.385 108.358 108.800 -0.096 0.000 3.137 82 G HA2 0.432 4.498 3.960 0.176 0.000 0.163 82 G HA3 0.432 4.498 3.960 0.176 0.000 0.163 82 G C -0.071 174.668 174.900 -0.269 0.000 1.602 82 G CA -0.217 44.791 45.100 -0.152 0.000 1.067 82 G HN 0.358 nan 8.290 nan 0.000 0.568 83 W N 1.224 122.373 121.300 -0.252 0.000 2.238 83 W HA 0.487 5.255 4.660 0.179 0.000 0.321 83 W C 0.638 176.685 176.519 -0.788 0.000 1.293 83 W CA 0.376 57.348 57.345 -0.622 0.000 1.204 83 W CB 1.046 30.051 29.460 -0.759 0.000 1.167 83 W HN 0.622 nan 8.180 nan 0.000 0.553 84 S N 1.412 116.708 115.700 -0.673 0.000 2.587 84 S HA 0.887 5.463 4.470 0.176 0.000 0.269 84 S C -1.273 173.274 174.600 -0.088 0.000 1.154 84 S CA -1.081 56.957 58.200 -0.269 0.000 0.824 84 S CB 1.576 64.713 63.200 -0.105 0.000 1.118 84 S HN 1.003 nan 8.310 nan 0.000 0.462 85 A N 0.963 123.865 122.820 0.137 0.000 2.408 85 A HA 0.754 5.179 4.320 0.176 0.000 0.295 85 A C -1.226 176.354 177.584 -0.006 0.000 1.040 85 A CA -0.699 51.325 52.037 -0.021 0.000 0.707 85 A CB 1.523 20.407 19.000 -0.192 0.000 1.235 85 A HN 1.253 nan 8.150 nan 0.000 0.418 86 V N 2.851 122.729 119.914 -0.061 0.000 2.495 86 V HA 0.398 4.624 4.120 0.176 0.000 0.298 86 V C -0.417 175.663 176.094 -0.025 0.000 1.031 86 V CA -0.606 61.679 62.300 -0.025 0.000 0.871 86 V CB 1.581 33.383 31.823 -0.034 0.000 0.988 86 V HN 0.836 nan 8.190 nan 0.000 0.432 87 L N 4.979 126.205 121.223 0.005 0.000 2.363 87 L HA 0.306 4.752 4.340 0.176 0.000 0.286 87 L C 1.174 178.039 176.870 -0.008 0.000 1.106 87 L CA 0.840 55.684 54.840 0.006 0.000 0.859 87 L CB 0.671 42.744 42.059 0.023 0.000 1.223 87 L HN 0.739 nan 8.230 nan 0.000 0.446 88 Q N 3.962 123.749 119.800 -0.021 0.000 2.212 88 Q HA 0.365 4.811 4.340 0.176 0.000 0.199 88 Q C 0.144 176.132 176.000 -0.020 0.000 0.950 88 Q CA 0.864 56.654 55.803 -0.023 0.000 0.863 88 Q CB 0.268 28.986 28.738 -0.032 0.000 0.944 88 Q HN 0.793 nan 8.270 nan 0.000 0.465 89 A N -0.153 122.655 122.820 -0.020 0.000 2.597 89 A HA 0.582 5.008 4.320 0.176 0.000 0.292 89 A C -1.347 176.226 177.584 -0.017 0.000 1.057 89 A CA -0.671 51.355 52.037 -0.019 0.000 0.674 89 A CB 1.683 20.668 19.000 -0.026 0.000 1.278 89 A HN -0.037 nan 8.150 nan 0.000 0.416 90 S N 1.579 117.270 115.700 -0.015 0.000 2.647 90 S HA 0.636 5.212 4.470 0.176 0.000 0.300 90 S C -1.078 173.512 174.600 -0.016 0.000 1.129 90 S CA -0.710 57.482 58.200 -0.014 0.000 1.029 90 S CB 0.980 64.175 63.200 -0.008 0.000 1.007 90 S HN 0.564 nan 8.310 nan 0.000 0.484 91 N N 2.242 120.931 118.700 -0.019 0.000 2.540 91 N HA 0.485 5.331 4.740 0.176 0.000 0.275 91 N C 0.621 176.121 175.510 -0.018 0.000 1.053 91 N CA 0.018 53.057 53.050 -0.018 0.000 0.876 91 N CB 1.728 40.202 38.487 -0.022 0.000 1.284 91 N HN 0.884 nan 8.380 nan 0.000 0.518 92 G N 3.223 112.015 108.800 -0.014 0.000 2.561 92 G HA2 -0.353 3.713 3.960 0.176 0.000 0.289 92 G HA3 -0.353 3.713 3.960 0.176 0.000 0.289 92 G C 0.352 175.243 174.900 -0.014 0.000 1.169 92 G CA -0.035 45.056 45.100 -0.014 0.000 0.980 92 G HN 0.562 nan 8.290 nan 0.000 0.550 93 N N 1.429 120.119 118.700 -0.016 0.000 2.235 93 N HA 0.196 5.042 4.740 0.176 0.000 0.209 93 N C 0.122 175.619 175.510 -0.022 0.000 1.122 93 N CA 0.828 53.867 53.050 -0.018 0.000 0.845 93 N CB 0.631 39.107 38.487 -0.018 0.000 1.004 93 N HN 0.507 nan 8.380 nan 0.000 0.499 94 T N 1.645 116.185 114.554 -0.023 0.000 2.767 94 T HA 0.455 4.911 4.350 0.176 0.000 0.288 94 T C 0.333 175.017 174.700 -0.026 0.000 0.963 94 T CA -0.351 61.732 62.100 -0.029 0.000 1.019 94 T CB 1.313 70.161 68.868 -0.033 0.000 0.923 94 T HN -0.040 nan 8.240 nan 0.000 0.468 95 L N 3.275 124.482 121.223 -0.026 0.000 2.287 95 L HA 0.401 4.847 4.340 0.176 0.000 0.287 95 L C 0.437 177.291 176.870 -0.027 0.000 1.022 95 L CA -0.826 54.004 54.840 -0.016 0.000 0.814 95 L CB 1.258 43.321 42.059 0.006 0.000 1.217 95 L HN 0.546 nan 8.230 nan 0.000 0.420 96 T N 4.897 119.432 114.554 -0.032 0.000 2.723 96 T HA 0.535 4.991 4.350 0.176 0.000 0.297 96 T C 0.026 174.700 174.700 -0.045 0.000 0.925 96 T CA 0.041 62.113 62.100 -0.048 0.000 1.030 96 T CB 0.175 69.012 68.868 -0.053 0.000 0.905 96 T HN 0.277 nan 8.240 nan 0.000 0.502 97 I N 2.292 122.825 120.570 -0.062 0.000 2.509 97 I HA 0.394 4.670 4.170 0.176 0.000 0.293 97 I C 0.235 176.258 176.117 -0.157 0.000 1.020 97 I CA -0.788 60.457 61.300 -0.091 0.000 1.088 97 I CB 2.082 40.035 38.000 -0.079 0.000 1.267 97 I HN 0.450 nan 8.210 nan 0.000 0.430 98 S N 6.984 122.584 115.700 -0.167 0.000 2.433 98 S HA 0.631 5.206 4.470 0.176 0.000 0.310 98 S C -0.613 173.791 174.600 -0.327 0.000 1.097 98 S CA -0.501 57.573 58.200 -0.210 0.000 1.103 98 S CB 0.322 63.453 63.200 -0.116 0.000 0.992 98 S HN 0.414 nan 8.310 nan 0.000 0.469 99 I N 3.681 123.897 120.570 -0.588 0.000 2.392 99 I HA 0.416 4.692 4.170 0.176 0.000 0.295 99 I C 0.249 176.052 176.117 -0.523 0.000 0.985 99 I CA -0.495 60.409 61.300 -0.659 0.000 1.221 99 I CB 2.009 39.384 38.000 -1.041 0.000 1.366 99 I HN 0.548 nan 8.210 nan 0.000 0.467 100 S N 4.007 119.527 115.700 -0.300 0.000 2.536 100 S HA 0.724 5.300 4.470 0.176 0.000 0.298 100 S C -0.590 173.787 174.600 -0.372 0.000 1.083 100 S CA -0.484 57.576 58.200 -0.234 0.000 0.995 100 S CB 1.480 64.556 63.200 -0.206 0.000 1.058 100 S HN 0.702 nan 8.310 nan 0.000 0.488 101 S N 3.600 118.995 115.700 -0.507 0.000 2.568 101 S HA 0.777 5.353 4.470 0.176 0.000 0.293 101 S C -3.179 170.964 174.600 -0.762 0.000 1.089 101 S CA -1.516 55.977 58.200 -1.179 0.000 0.945 101 S CB 1.763 64.170 63.200 -1.321 0.000 1.077 101 S HN 0.584 nan 8.310 nan 0.000 0.485 102 P HA 0.269 nan 4.420 nan 0.000 0.275 102 P C 0.574 177.733 177.300 -0.235 0.000 1.228 102 P CA -0.354 62.516 63.100 -0.383 0.000 0.786 102 P CB 0.994 32.530 31.700 -0.273 0.000 0.927 103 A N 2.814 125.561 122.820 -0.120 0.000 2.125 103 A HA -0.107 4.319 4.320 0.176 0.000 0.219 103 A C 1.664 179.258 177.584 0.018 0.000 1.156 103 A CA 1.727 53.743 52.037 -0.036 0.000 0.671 103 A CB -1.134 17.860 19.000 -0.011 0.000 0.794 103 A HN 0.630 nan 8.150 nan 0.000 0.459 104 S N -0.997 114.706 115.700 0.005 0.000 2.574 104 S HA 0.631 5.207 4.470 0.176 0.000 0.242 104 S C 0.574 175.217 174.600 0.073 0.000 0.982 104 S CA 0.080 58.314 58.200 0.057 0.000 0.977 104 S CB -0.353 62.879 63.200 0.053 0.000 0.814 104 S HN 0.721 nan 8.310 nan 0.000 0.464 105 A N 2.596 125.442 122.820 0.043 0.000 2.407 105 A HA 0.603 5.029 4.320 0.176 0.000 0.248 105 A C -2.609 175.072 177.584 0.161 0.000 1.082 105 A CA -1.434 50.686 52.037 0.139 0.000 0.785 105 A CB -0.332 18.720 19.000 0.086 0.000 1.020 105 A HN 0.305 nan 8.150 nan 0.000 0.489 106 P HA 0.244 nan 4.420 nan 0.000 0.271 106 P C -0.124 177.273 177.300 0.161 0.000 1.216 106 P CA -0.020 63.170 63.100 0.150 0.000 0.776 106 P CB 0.434 32.216 31.700 0.136 0.000 0.881 107 I N -0.613 119.925 120.570 -0.052 0.000 2.970 107 I HA 0.838 5.114 4.170 0.176 0.000 0.310 107 I C 0.695 176.819 176.117 0.012 0.000 1.010 107 I CA -0.316 60.929 61.300 -0.092 0.000 1.228 107 I CB 0.531 38.250 38.000 -0.468 0.000 1.433 107 I HN 0.614 nan 8.210 nan 0.000 0.573 108 G N 2.607 111.427 108.800 0.033 0.000 2.316 108 G HA2 0.013 4.079 3.960 0.176 0.000 0.349 108 G HA3 0.013 4.079 3.960 0.176 0.000 0.349 108 G C -1.076 173.816 174.900 -0.014 0.000 1.274 108 G CA -1.080 44.003 45.100 -0.029 0.000 1.018 108 G HN 0.824 nan 8.290 nan 0.000 0.486 109 R N -0.311 120.111 120.500 -0.131 0.000 2.265 109 R HA 0.577 5.022 4.340 0.176 0.000 0.314 109 R C -1.034 175.089 176.300 -0.296 0.000 1.053 109 R CA -0.145 55.852 56.100 -0.172 0.000 0.931 109 R CB 0.755 30.956 30.300 -0.166 0.000 1.024 109 R HN 0.451 nan 8.270 nan 0.000 0.457 110 Y N -0.033 119.937 120.300 -0.550 0.000 2.549 110 Y HA 0.360 5.023 4.550 0.188 0.000 0.339 110 Y C 0.442 176.028 175.900 -0.522 0.000 1.053 110 Y CA -0.574 57.154 58.100 -0.619 0.000 1.105 110 Y CB 2.531 40.341 38.460 -1.084 0.000 1.258 110 Y HN 0.423 nan 8.280 nan 0.000 0.478 111 T N 3.444 117.940 114.554 -0.096 0.000 2.856 111 T HA 0.538 4.994 4.350 0.176 0.000 0.283 111 T C -1.029 173.776 174.700 0.176 0.000 1.008 111 T CA -0.721 61.387 62.100 0.014 0.000 0.997 111 T CB 0.997 69.865 68.868 -0.000 0.000 0.992 111 T HN 0.532 nan 8.240 nan 0.000 0.454 112 M N 2.837 122.616 119.600 0.298 0.000 2.321 112 M HA 0.743 5.329 4.480 0.176 0.000 0.315 112 M C -1.359 175.106 176.300 0.274 0.000 1.052 112 M CA -0.616 54.920 55.300 0.394 0.000 0.936 112 M CB 1.177 34.177 32.600 0.666 0.000 1.639 112 M HN 0.759 nan 8.290 nan 0.000 0.433 113 A N 3.935 126.857 122.820 0.171 0.000 2.430 113 A HA 0.883 5.309 4.320 0.176 0.000 0.300 113 A C -2.112 175.457 177.584 -0.024 0.000 1.124 113 A CA -0.718 51.362 52.037 0.073 0.000 0.766 113 A CB 1.831 20.849 19.000 0.031 0.000 1.328 113 A HN 0.778 nan 8.150 nan 0.000 0.424 114 L N 0.437 121.599 121.223 -0.101 0.000 2.349 114 L HA 0.501 4.947 4.340 0.176 0.000 0.278 114 L C -0.254 176.498 176.870 -0.198 0.000 0.996 114 L CA 0.006 54.692 54.840 -0.256 0.000 0.825 114 L CB 1.764 43.632 42.059 -0.318 0.000 1.243 114 L HN 0.805 nan 8.230 nan 0.000 0.412 115 Q N 4.641 124.324 119.800 -0.196 0.000 2.290 115 Q HA 0.598 5.044 4.340 0.176 0.000 0.259 115 Q C -1.366 174.562 176.000 -0.119 0.000 0.941 115 Q CA -0.443 55.273 55.803 -0.145 0.000 0.912 115 Q CB 1.297 30.000 28.738 -0.058 0.000 1.244 115 Q HN 0.685 nan 8.270 nan 0.000 0.441 116 I N 3.954 124.413 120.570 -0.185 0.000 2.436 116 I HA 0.310 4.585 4.170 0.176 0.000 0.289 116 I C -1.027 174.975 176.117 -0.191 0.000 1.010 116 I CA -0.674 60.566 61.300 -0.101 0.000 1.098 116 I CB 1.242 39.179 38.000 -0.104 0.000 1.266 116 I HN 0.557 nan 8.210 nan 0.000 0.434 117 F N 4.686 124.597 119.950 -0.065 0.000 2.334 117 F HA 0.469 5.102 4.527 0.176 0.000 0.367 117 F C 0.516 176.293 175.800 -0.039 0.000 1.115 117 F CA -0.298 57.675 58.000 -0.045 0.000 1.116 117 F CB 1.475 40.453 39.000 -0.037 0.000 1.230 117 F HN 0.336 nan 8.300 nan 0.000 0.484 118 S N 2.985 118.724 115.700 0.065 0.000 2.543 118 S HA 0.293 4.869 4.470 0.176 0.000 0.271 118 S C -0.810 173.800 174.600 0.017 0.000 1.148 118 S CA -0.606 57.618 58.200 0.039 0.000 0.914 118 S CB 0.987 64.191 63.200 0.008 0.000 1.096 118 S HN 0.709 nan 8.310 nan 0.000 0.471 119 Q N 2.476 122.289 119.800 0.022 0.000 2.451 119 Q HA -0.210 4.236 4.340 0.176 0.000 0.305 119 Q C 0.932 176.940 176.000 0.012 0.000 1.345 119 Q CA 0.866 56.676 55.803 0.012 0.000 0.854 119 Q CB -2.166 26.572 28.738 -0.000 0.000 1.162 119 Q HN 1.822 nan 8.270 nan 0.000 0.440 120 G N -2.035 106.782 108.800 0.028 0.000 2.175 120 G HA2 -0.295 3.770 3.960 0.176 0.000 0.265 120 G HA3 -0.295 3.770 3.960 0.176 0.000 0.265 120 G C 0.365 175.272 174.900 0.012 0.000 0.979 120 G CA 0.457 45.574 45.100 0.027 0.000 0.663 120 G HN 1.000 nan 8.290 nan 0.000 0.533 121 G N -1.203 107.592 108.800 -0.009 0.000 2.816 121 G HA2 0.786 4.852 3.960 0.176 0.000 0.288 121 G HA3 0.786 4.852 3.960 0.176 0.000 0.288 121 G C -0.865 173.956 174.900 -0.132 0.000 1.334 121 G CA -0.962 44.105 45.100 -0.055 0.000 0.978 121 G HN 0.668 nan 8.290 nan 0.000 0.493 122 I N 0.522 120.969 120.570 -0.206 0.000 2.686 122 I HA 0.489 4.765 4.170 0.176 0.000 0.295 122 I C -0.265 175.691 176.117 -0.268 0.000 1.114 122 I CA -0.800 60.269 61.300 -0.384 0.000 1.038 122 I CB 2.595 40.266 38.000 -0.548 0.000 1.238 122 I HN 0.633 nan 8.210 nan 0.000 0.420 123 S N 2.874 118.411 115.700 -0.272 0.000 2.599 123 S HA 0.783 5.359 4.470 0.176 0.000 0.287 123 S C -0.895 173.597 174.600 -0.181 0.000 1.105 123 S CA -0.734 57.358 58.200 -0.179 0.000 0.899 123 S CB 2.179 65.302 63.200 -0.128 0.000 1.100 123 S HN 0.579 nan 8.310 nan 0.000 0.482 124 S N 0.538 116.161 115.700 -0.129 0.000 2.575 124 S HA 0.751 5.326 4.470 0.176 0.000 0.278 124 S C -1.493 173.064 174.600 -0.072 0.000 1.139 124 S CA -0.535 57.600 58.200 -0.109 0.000 0.954 124 S CB 1.349 64.490 63.200 -0.098 0.000 1.054 124 S HN 1.465 nan 8.310 nan 0.000 0.483 125 V N 4.739 124.616 119.914 -0.063 0.000 2.971 125 V HA 0.629 4.855 4.120 0.176 0.000 0.309 125 V C -0.884 175.208 176.094 -0.002 0.000 1.130 125 V CA -0.915 61.367 62.300 -0.031 0.000 0.964 125 V CB 2.062 33.866 31.823 -0.033 0.000 1.029 125 V HN 0.970 nan 8.190 nan 0.000 0.427 126 K N 4.556 124.974 120.400 0.029 0.000 2.297 126 K HA 0.421 4.847 4.320 0.176 0.000 0.286 126 K C 0.340 177.016 176.600 0.127 0.000 1.053 126 K CA -0.381 55.951 56.287 0.075 0.000 0.940 126 K CB 1.174 33.715 32.500 0.068 0.000 1.019 126 K HN 0.777 nan 8.250 nan 0.000 0.475 127 L N 2.731 124.079 121.223 0.209 0.000 2.168 127 L HA 0.227 4.673 4.340 0.176 0.000 0.203 127 L C 1.175 178.375 176.870 0.550 0.000 1.078 127 L CA 0.743 55.778 54.840 0.325 0.000 0.780 127 L CB 0.047 42.319 42.059 0.356 0.000 0.939 127 L HN 1.013 nan 8.230 nan 0.000 0.451 128 G N -0.797 108.280 108.800 0.462 0.000 2.345 128 G HA2 0.236 4.302 3.960 0.176 0.000 0.285 128 G HA3 0.236 4.302 3.960 0.176 0.000 0.285 128 G C -1.125 173.851 174.900 0.127 0.000 1.297 128 G CA -0.072 45.200 45.100 0.287 0.000 0.875 128 G HN 0.023 nan 8.290 nan 0.000 0.506 129 T N -1.918 112.596 114.554 -0.068 0.000 2.916 129 T HA 0.917 5.373 4.350 0.176 0.000 0.292 129 T C -0.664 173.972 174.700 -0.107 0.000 1.064 129 T CA -0.204 61.852 62.100 -0.074 0.000 1.011 129 T CB 2.148 70.954 68.868 -0.104 0.000 1.152 129 T HN 2.000 nan 8.240 nan 0.000 0.510 130 F N -1.104 118.738 119.950 -0.180 0.000 2.686 130 F HA 0.813 5.450 4.527 0.184 0.000 0.311 130 F C -1.962 173.787 175.800 -0.086 0.000 1.128 130 F CA -1.785 56.082 58.000 -0.223 0.000 0.946 130 F CB 0.963 39.774 39.000 -0.315 0.000 1.336 130 F HN 0.600 nan 8.300 nan 0.000 0.457 131 I N 2.602 123.193 120.570 0.036 0.000 2.441 131 I HA 0.491 4.767 4.170 0.176 0.000 0.295 131 I C -1.389 174.792 176.117 0.106 0.000 0.994 131 I CA -1.012 60.283 61.300 -0.009 0.000 1.144 131 I CB 1.886 39.843 38.000 -0.072 0.000 1.314 131 I HN 0.560 nan 8.210 nan 0.000 0.445 132 L N 7.641 128.932 121.223 0.115 0.000 2.356 132 L HA 0.630 5.076 4.340 0.176 0.000 0.277 132 L C -0.959 175.934 176.870 0.039 0.000 0.996 132 L CA -0.114 54.796 54.840 0.116 0.000 0.822 132 L CB 1.347 43.483 42.059 0.128 0.000 1.256 132 L HN 0.452 nan 8.230 nan 0.000 0.413 133 L N 2.802 124.047 121.223 0.037 0.000 2.260 133 L HA 0.569 5.015 4.340 0.176 0.000 0.265 133 L C -0.537 176.338 176.870 0.008 0.000 1.015 133 L CA -0.964 53.879 54.840 0.004 0.000 0.826 133 L CB 1.118 43.265 42.059 0.146 0.000 1.373 133 L HN 0.306 nan 8.230 nan 0.000 0.450 134 F N 0.371 120.437 119.950 0.193 0.000 2.490 134 F HA 0.114 4.747 4.527 0.178 0.000 0.336 134 F C 0.809 176.765 175.800 0.260 0.000 1.178 134 F CA 0.087 58.205 58.000 0.196 0.000 1.301 134 F CB 0.151 39.261 39.000 0.183 0.000 1.175 134 F HN 0.327 nan 8.300 nan 0.000 0.593 135 N N 2.590 121.575 118.700 0.474 0.000 2.776 135 N HA 0.311 5.157 4.740 0.176 0.000 0.245 135 N C -2.322 173.482 175.510 0.489 0.000 1.121 135 N CA -2.120 51.211 53.050 0.469 0.000 0.852 135 N CB 1.074 39.760 38.487 0.331 0.000 1.142 135 N HN 0.062 nan 8.380 nan 0.000 0.514 136 P HA -0.014 nan 4.420 nan 0.000 0.228 136 P C 0.894 178.243 177.300 0.082 0.000 1.151 136 P CA 0.882 64.066 63.100 0.140 0.000 0.770 136 P CB 0.140 31.729 31.700 -0.186 0.000 0.786 137 W N -1.539 119.890 121.300 0.214 0.000 2.863 137 W HA 0.210 4.975 4.660 0.175 0.000 0.258 137 W C 0.533 177.286 176.519 0.390 0.000 1.298 137 W CA -0.108 57.377 57.345 0.233 0.000 1.451 137 W CB 0.145 29.665 29.460 0.101 0.000 1.107 137 W HN -0.072 nan 8.180 nan 0.000 0.641 138 L N 3.035 124.588 121.223 0.552 0.000 2.261 138 L HA 0.056 4.502 4.340 0.176 0.000 0.289 138 L C 1.521 178.340 176.870 -0.086 0.000 1.059 138 L CA 0.054 55.036 54.840 0.236 0.000 0.816 138 L CB 0.655 42.818 42.059 0.173 0.000 1.191 138 L HN 0.127 nan 8.230 nan 0.000 0.431 139 N N 2.905 121.197 118.700 -0.680 0.000 2.132 139 N HA -0.224 4.621 4.740 0.176 0.000 0.191 139 N C 1.189 176.345 175.510 -0.591 0.000 1.015 139 N CA 1.494 53.698 53.050 -1.410 0.000 0.864 139 N CB -0.272 37.692 38.487 -0.872 0.000 1.006 139 N HN 0.556 nan 8.380 nan 0.000 0.430 140 V N -2.696 117.066 119.914 -0.253 0.000 3.306 140 V HA 0.029 4.255 4.120 0.176 0.000 0.264 140 V C 0.631 176.724 176.094 -0.001 0.000 1.149 140 V CA 0.401 62.639 62.300 -0.102 0.000 1.143 140 V CB -0.619 31.162 31.823 -0.069 0.000 0.767 140 V HN 0.142 nan 8.190 nan 0.000 0.476 141 D N 1.546 121.983 120.400 0.061 0.000 2.345 141 D HA 0.108 4.854 4.640 0.176 0.000 0.247 141 D C 1.571 177.981 176.300 0.184 0.000 1.108 141 D CA 0.962 55.056 54.000 0.156 0.000 0.894 141 D CB 2.105 43.047 40.800 0.238 0.000 1.203 141 D HN 0.409 nan 8.370 nan 0.000 0.430 142 S N 1.753 117.544 115.700 0.151 0.000 2.419 142 S HA -0.180 4.396 4.470 0.176 0.000 0.233 142 S C 1.788 176.468 174.600 0.133 0.000 1.016 142 S CA 1.239 59.507 58.200 0.113 0.000 0.974 142 S CB -0.583 62.654 63.200 0.062 0.000 0.786 142 S HN 0.461 nan 8.310 nan 0.000 0.492 143 V N -2.093 117.922 119.914 0.168 0.000 3.633 143 V HA 0.425 4.651 4.120 0.176 0.000 0.283 143 V C 0.573 176.848 176.094 0.302 0.000 1.305 143 V CA -0.876 61.541 62.300 0.195 0.000 1.153 143 V CB -1.822 30.066 31.823 0.108 0.000 0.950 143 V HN 0.334 nan 8.190 nan 0.000 0.432 144 F N 2.543 122.591 119.950 0.162 0.000 2.604 144 F HA 0.303 4.936 4.527 0.176 0.000 0.393 144 F C 0.160 176.103 175.800 0.238 0.000 1.043 144 F CA 0.138 58.230 58.000 0.153 0.000 1.227 144 F CB 0.401 39.470 39.000 0.115 0.000 1.016 144 F HN 0.259 nan 8.300 nan 0.000 0.556 145 M N 7.137 126.265 119.600 -0.786 0.000 2.035 145 M HA 0.324 4.910 4.480 0.176 0.000 0.286 145 M C 0.685 176.281 176.300 -1.175 0.000 0.907 145 M CA -0.212 54.576 55.300 -0.854 0.000 0.935 145 M CB 1.254 33.403 32.600 -0.752 0.000 1.557 145 M HN 0.758 nan 8.290 nan 0.000 0.426 146 G N 3.545 111.630 108.800 -1.193 0.000 2.402 146 G HA2 -0.162 3.904 3.960 0.176 0.000 0.216 146 G HA3 -0.162 3.904 3.960 0.176 0.000 0.216 146 G C 0.642 175.350 174.900 -0.320 0.000 1.162 146 G CA 0.082 44.773 45.100 -0.683 0.000 0.777 146 G HN 0.712 nan 8.290 nan 0.000 0.539 147 N N 0.053 118.567 118.700 -0.310 0.000 2.483 147 N HA -0.022 4.824 4.740 0.176 0.000 0.264 147 N C 1.079 176.462 175.510 -0.212 0.000 1.197 147 N CA -0.115 52.819 53.050 -0.193 0.000 0.927 147 N CB 0.867 39.244 38.487 -0.183 0.000 1.065 147 N HN 0.291 nan 8.380 nan 0.000 0.461 148 H N 4.341 123.304 119.070 -0.178 0.000 2.293 148 H HA -0.045 4.617 4.556 0.177 0.000 0.300 148 H C 1.790 177.015 175.328 -0.171 0.000 1.082 148 H CA 2.606 58.557 56.048 -0.162 0.000 1.308 148 H CB -0.075 29.644 29.762 -0.073 0.000 1.375 148 H HN 0.727 nan 8.280 nan 0.000 0.495 149 A N 0.697 123.403 122.820 -0.190 0.000 1.883 149 A HA -0.231 4.195 4.320 0.176 0.000 0.217 149 A C 2.271 179.646 177.584 -0.349 0.000 1.186 149 A CA 2.040 53.932 52.037 -0.243 0.000 0.624 149 A CB -0.619 18.318 19.000 -0.105 0.000 0.822 149 A HN 0.713 nan 8.150 nan 0.000 0.444 150 E N -1.010 118.989 120.200 -0.335 0.000 2.077 150 E HA -0.188 4.267 4.350 0.176 0.000 0.193 150 E C 2.332 178.663 176.600 -0.448 0.000 0.989 150 E CA 1.048 57.190 56.400 -0.430 0.000 0.800 150 E CB -0.197 29.373 29.700 -0.217 0.000 0.746 150 E HN 0.574 nan 8.360 nan 0.000 0.452 151 R N 0.949 121.193 120.500 -0.426 0.000 2.096 151 R HA -0.175 4.271 4.340 0.176 0.000 0.235 151 R C 1.901 177.968 176.300 -0.388 0.000 1.127 151 R CA 1.208 57.027 56.100 -0.469 0.000 0.968 151 R CB 0.088 29.963 30.300 -0.707 0.000 0.861 151 R HN 0.106 nan 8.270 nan 0.000 0.440 152 E N 0.438 120.392 120.200 -0.410 0.000 2.072 152 E HA -0.215 4.241 4.350 0.176 0.000 0.191 152 E C 1.784 178.276 176.600 -0.180 0.000 0.985 152 E CA 1.313 57.555 56.400 -0.262 0.000 0.801 152 E CB -0.082 29.428 29.700 -0.317 0.000 0.750 152 E HN 0.398 nan 8.360 nan 0.000 0.452 153 E N 0.163 120.176 120.200 -0.311 0.000 2.028 153 E HA -0.161 4.295 4.350 0.176 0.000 0.191 153 E C 1.604 178.095 176.600 -0.183 0.000 0.988 153 E CA 1.101 57.312 56.400 -0.315 0.000 0.799 153 E CB -0.301 29.035 29.700 -0.608 0.000 0.755 153 E HN 0.226 nan 8.360 nan 0.000 0.447 154 Y N -0.772 119.497 120.300 -0.051 0.000 2.583 154 Y HA 0.129 4.784 4.550 0.176 0.000 0.293 154 Y C 1.689 177.570 175.900 -0.032 0.000 1.157 154 Y CA 0.272 58.358 58.100 -0.022 0.000 1.315 154 Y CB 0.240 38.719 38.460 0.032 0.000 1.021 154 Y HN -0.002 nan 8.280 nan 0.000 0.536 155 V N -1.748 118.213 119.914 0.077 0.000 3.102 155 V HA -0.017 4.209 4.120 0.176 0.000 0.225 155 V C 1.655 177.854 176.094 0.176 0.000 1.301 155 V CA 0.419 62.781 62.300 0.104 0.000 1.308 155 V CB 0.095 31.947 31.823 0.048 0.000 1.129 155 V HN 0.028 nan 8.190 nan 0.000 0.502 156 Q N 0.443 120.357 119.800 0.190 0.000 2.398 156 Q HA 0.094 4.540 4.340 0.176 0.000 0.204 156 Q C 0.756 176.968 176.000 0.353 0.000 0.932 156 Q CA 0.285 56.293 55.803 0.341 0.000 0.916 156 Q CB 0.174 29.052 28.738 0.232 0.000 1.024 156 Q HN 0.570 nan 8.270 nan 0.000 0.504 157 E N 2.636 122.956 120.200 0.199 0.000 2.259 157 E HA 0.003 4.459 4.350 0.176 0.000 0.281 157 E C -0.141 176.622 176.600 0.271 0.000 1.037 157 E CA -0.070 56.458 56.400 0.213 0.000 0.854 157 E CB 0.644 30.429 29.700 0.142 0.000 1.051 157 E HN 0.077 nan 8.360 nan 0.000 0.409 158 D N 2.786 123.365 120.400 0.299 0.000 2.398 158 D HA 0.174 4.920 4.640 0.176 0.000 0.210 158 D C -0.287 176.169 176.300 0.259 0.000 1.094 158 D CA -0.293 53.881 54.000 0.289 0.000 0.839 158 D CB 0.251 41.156 40.800 0.175 0.000 0.963 158 D HN 0.255 nan 8.370 nan 0.000 0.506 159 A N 0.038 122.976 122.820 0.197 0.000 2.331 159 A HA 0.757 5.183 4.320 0.176 0.000 0.320 159 A C 0.221 177.813 177.584 0.013 0.000 1.138 159 A CA -0.226 51.815 52.037 0.006 0.000 0.790 159 A CB 1.654 20.663 19.000 0.014 0.000 1.206 159 A HN 0.226 nan 8.150 nan 0.000 0.470 160 G N 0.482 109.126 108.800 -0.260 0.000 2.798 160 G HA2 0.655 4.721 3.960 0.176 0.000 0.286 160 G HA3 0.655 4.721 3.960 0.176 0.000 0.286 160 G C -1.299 173.532 174.900 -0.115 0.000 1.389 160 G CA -0.550 44.491 45.100 -0.099 0.000 0.894 160 G HN 0.525 nan 8.290 nan 0.000 0.488 161 I N 0.471 121.006 120.570 -0.059 0.000 2.533 161 I HA 0.464 4.739 4.170 0.176 0.000 0.290 161 I C -0.772 175.188 176.117 -0.261 0.000 1.056 161 I CA -0.577 60.596 61.300 -0.212 0.000 1.057 161 I CB 1.699 39.513 38.000 -0.311 0.000 1.240 161 I HN 0.311 nan 8.210 nan 0.000 0.423 162 I N 5.349 125.715 120.570 -0.340 0.000 2.436 162 I HA 0.369 4.645 4.170 0.176 0.000 0.289 162 I C -0.702 175.121 176.117 -0.490 0.000 1.010 162 I CA -0.598 60.524 61.300 -0.297 0.000 1.098 162 I CB 1.793 39.686 38.000 -0.177 0.000 1.266 162 I HN 0.238 nan 8.210 nan 0.000 0.434 163 F N 6.017 125.856 119.950 -0.185 0.000 2.412 163 F HA 0.514 5.146 4.527 0.176 0.000 0.348 163 F C 0.643 176.182 175.800 -0.435 0.000 1.102 163 F CA -0.206 57.674 58.000 -0.201 0.000 1.196 163 F CB 1.179 40.144 39.000 -0.059 0.000 1.144 163 F HN 0.215 nan 8.300 nan 0.000 0.541 164 V N -0.619 119.105 119.914 -0.316 0.000 3.109 164 V HA 1.038 5.264 4.120 0.176 0.000 0.311 164 V C 0.176 176.083 176.094 -0.311 0.000 1.389 164 V CA -0.278 61.479 62.300 -0.905 0.000 1.034 164 V CB 0.982 32.219 31.823 -0.977 0.000 1.105 164 V HN 1.279 nan 8.190 nan 0.000 0.477 165 G N 0.480 109.108 108.800 -0.288 0.000 2.662 165 G HA2 0.279 4.345 3.960 0.176 0.000 0.236 165 G HA3 0.279 4.345 3.960 0.176 0.000 0.236 165 G C 0.051 175.198 174.900 0.411 0.000 1.212 165 G CA 0.517 45.686 45.100 0.115 0.000 0.968 165 G HN 2.668 nan 8.290 nan 0.000 0.576 166 S N -2.207 113.665 115.700 0.287 0.000 2.625 166 S HA 0.666 5.242 4.470 0.176 0.000 0.271 166 S C 1.044 175.602 174.600 -0.071 0.000 1.161 166 S CA 0.918 59.308 58.200 0.316 0.000 0.820 166 S CB 1.212 64.558 63.200 0.244 0.000 1.137 166 S HN 2.378 nan 8.310 nan 0.000 0.470 167 T N -0.974 113.582 114.554 0.004 0.000 2.977 167 T HA -0.059 4.397 4.350 0.176 0.000 0.271 167 T C 0.884 175.550 174.700 -0.055 0.000 1.105 167 T CA 1.639 63.687 62.100 -0.086 0.000 1.116 167 T CB -1.048 67.909 68.868 0.149 0.000 0.878 167 T HN 0.675 nan 8.240 nan 0.000 0.509 168 N N 0.265 118.949 118.700 -0.027 0.000 2.392 168 N HA 0.171 5.017 4.740 0.176 0.000 0.177 168 N C 0.720 176.182 175.510 -0.079 0.000 1.066 168 N CA -0.062 52.972 53.050 -0.028 0.000 0.895 168 N CB 0.318 38.817 38.487 0.021 0.000 0.988 168 N HN 0.236 nan 8.380 nan 0.000 0.457 169 R N 1.342 121.779 120.500 -0.104 0.000 3.107 169 R HA 0.263 4.709 4.340 0.176 0.000 0.251 169 R C -1.628 174.595 176.300 -0.130 0.000 1.818 169 R CA -0.255 55.783 56.100 -0.103 0.000 1.228 169 R CB 0.345 30.621 30.300 -0.039 0.000 1.459 169 R HN 0.014 nan 8.270 nan 0.000 0.520 170 I N 3.037 123.469 120.570 -0.229 0.000 2.471 170 I HA 0.285 4.561 4.170 0.176 0.000 0.286 170 I C 1.072 177.161 176.117 -0.047 0.000 1.079 170 I CA 0.134 61.310 61.300 -0.207 0.000 1.398 170 I CB 1.384 39.170 38.000 -0.357 0.000 1.403 170 I HN 0.620 nan 8.210 nan 0.000 0.530 171 G N 6.287 115.092 108.800 0.007 0.000 3.075 171 G HA2 0.909 4.974 3.960 0.176 0.000 0.253 171 G HA3 0.909 4.974 3.960 0.176 0.000 0.253 171 G C -0.869 174.009 174.900 -0.037 0.000 1.353 171 G CA -0.782 44.305 45.100 -0.022 0.000 1.051 171 G HN 0.616 nan 8.290 nan 0.000 0.553 172 M N -1.015 118.491 119.600 -0.157 0.000 2.490 172 M HA 0.653 5.239 4.480 0.176 0.000 0.286 172 M C -1.493 174.644 176.300 -0.271 0.000 1.185 172 M CA -0.903 54.205 55.300 -0.320 0.000 0.912 172 M CB 2.046 34.367 32.600 -0.464 0.000 1.744 172 M HN 0.633 nan 8.290 nan 0.000 0.494 173 I N -0.399 119.993 120.570 -0.296 0.000 2.689 173 I HA 1.002 5.277 4.170 0.176 0.000 0.299 173 I C 0.010 176.046 176.117 -0.134 0.000 1.059 173 I CA -0.914 60.275 61.300 -0.185 0.000 1.055 173 I CB 2.120 40.016 38.000 -0.173 0.000 1.243 173 I HN 0.859 nan 8.210 nan 0.000 0.425 174 G N 3.447 112.201 108.800 -0.078 0.000 2.476 174 G HA2 0.350 4.416 3.960 0.176 0.000 0.269 174 G HA3 0.350 4.416 3.960 0.176 0.000 0.269 174 G C -1.700 173.215 174.900 0.025 0.000 1.195 174 G CA -0.429 44.630 45.100 -0.067 0.000 0.843 174 G HN 0.778 nan 8.290 nan 0.000 0.545 175 W N 2.509 123.637 121.300 -0.286 0.000 3.042 175 W HA 0.308 5.073 4.660 0.175 0.000 0.337 175 W C -1.257 174.949 176.519 -0.523 0.000 1.086 175 W CA -0.998 56.139 57.345 -0.347 0.000 1.236 175 W CB 2.013 31.249 29.460 -0.373 0.000 1.381 175 W HN 0.501 nan 8.180 nan 0.000 0.472 176 N N 4.762 123.008 118.700 -0.756 0.000 2.469 176 N HA 0.165 5.011 4.740 0.176 0.000 0.239 176 N C 0.446 175.742 175.510 -0.357 0.000 1.053 176 N CA -0.033 52.728 53.050 -0.482 0.000 0.937 176 N CB -0.049 38.227 38.487 -0.352 0.000 1.163 176 N HN 0.326 nan 8.380 nan 0.000 0.509 177 F N 2.238 122.233 119.950 0.076 0.000 2.146 177 F HA 0.082 4.715 4.527 0.177 0.000 0.298 177 F C 2.061 177.870 175.800 0.015 0.000 1.096 177 F CA 0.455 58.539 58.000 0.140 0.000 1.275 177 F CB -0.246 38.826 39.000 0.121 0.000 1.008 177 F HN 0.628 nan 8.300 nan 0.000 0.480 178 G N 1.329 110.214 108.800 0.141 0.000 2.356 178 G HA2 -0.337 3.729 3.960 0.176 0.000 0.296 178 G HA3 -0.337 3.729 3.960 0.176 0.000 0.296 178 G C 1.062 175.968 174.900 0.011 0.000 1.022 178 G CA 0.651 45.786 45.100 0.058 0.000 0.961 178 G HN 0.535 nan 8.290 nan 0.000 0.510 179 Q N -1.045 118.664 119.800 -0.152 0.000 2.364 179 Q HA -0.050 4.396 4.340 0.176 0.000 0.209 179 Q C 1.659 177.607 176.000 -0.087 0.000 0.977 179 Q CA 1.491 57.184 55.803 -0.183 0.000 0.885 179 Q CB -0.259 28.265 28.738 -0.357 0.000 0.941 179 Q HN 0.630 nan 8.270 nan 0.000 0.464 180 F N 1.466 121.508 119.950 0.154 0.000 2.749 180 F HA 0.275 4.908 4.527 0.176 0.000 0.300 180 F C 0.705 176.613 175.800 0.179 0.000 1.103 180 F CA -0.500 57.582 58.000 0.136 0.000 1.342 180 F CB 0.027 38.986 39.000 -0.067 0.000 1.098 180 F HN -0.125 nan 8.300 nan 0.000 0.586 181 E N 1.675 122.029 120.200 0.257 0.000 2.398 181 E HA -0.072 4.384 4.350 0.176 0.000 0.263 181 E C 0.271 176.975 176.600 0.174 0.000 1.046 181 E CA -0.161 56.349 56.400 0.183 0.000 0.908 181 E CB 0.281 30.050 29.700 0.116 0.000 0.963 181 E HN 0.343 nan 8.360 nan 0.000 0.431 182 E N 1.520 121.801 120.200 0.136 0.000 2.765 182 E HA -0.230 4.226 4.350 0.176 0.000 0.256 182 E C -0.181 176.475 176.600 0.093 0.000 0.935 182 E CA 0.522 56.988 56.400 0.110 0.000 0.954 182 E CB 0.144 29.891 29.700 0.079 0.000 0.908 182 E HN 0.458 nan 8.360 nan 0.000 0.500 183 D N 2.452 122.901 120.400 0.083 0.000 2.837 183 D HA -0.237 4.509 4.640 0.176 0.000 0.195 183 D C 0.782 177.124 176.300 0.070 0.000 1.033 183 D CA 1.325 55.361 54.000 0.060 0.000 1.021 183 D CB -0.761 40.068 40.800 0.048 0.000 1.101 183 D HN 0.505 nan 8.370 nan 0.000 0.431 184 I N 0.213 120.842 120.570 0.098 0.000 2.179 184 I HA -0.175 4.101 4.170 0.176 0.000 0.242 184 I C 2.603 178.770 176.117 0.082 0.000 1.088 184 I CA 0.943 62.303 61.300 0.101 0.000 1.357 184 I CB -1.079 36.995 38.000 0.123 0.000 1.051 184 I HN 0.245 nan 8.210 nan 0.000 0.409 185 L N 0.569 121.833 121.223 0.068 0.000 2.046 185 L HA -0.198 4.247 4.340 0.176 0.000 0.208 185 L C 2.791 179.629 176.870 -0.052 0.000 1.077 185 L CA 2.082 56.891 54.840 -0.052 0.000 0.747 185 L CB -0.879 40.987 42.059 -0.320 0.000 0.896 185 L HN 0.197 nan 8.230 nan 0.000 0.432 186 S N -0.647 115.034 115.700 -0.032 0.000 2.356 186 S HA -0.185 4.391 4.470 0.176 0.000 0.223 186 S C 2.070 176.676 174.600 0.009 0.000 1.032 186 S CA 1.755 59.939 58.200 -0.027 0.000 1.005 186 S CB -0.458 62.731 63.200 -0.018 0.000 0.867 186 S HN 0.496 nan 8.310 nan 0.000 0.449 187 I N 0.948 121.548 120.570 0.050 0.000 2.226 187 I HA -0.215 4.061 4.170 0.176 0.000 0.245 187 I C 2.569 178.759 176.117 0.121 0.000 1.100 187 I CA 1.024 62.392 61.300 0.114 0.000 1.374 187 I CB -0.570 37.524 38.000 0.157 0.000 1.057 187 I HN 0.425 nan 8.210 nan 0.000 0.413 188 C N 0.592 119.935 119.300 0.071 0.000 2.425 188 C HA -0.129 4.437 4.460 0.176 0.000 0.277 188 C C 2.749 177.759 174.990 0.034 0.000 1.280 188 C CA 0.576 59.623 59.018 0.048 0.000 1.744 188 C CB -0.992 26.776 27.740 0.046 0.000 1.989 188 C HN 0.454 nan 8.230 nan 0.000 0.491 189 L N 1.524 122.754 121.223 0.010 0.000 2.056 189 L HA -0.132 4.314 4.340 0.176 0.000 0.207 189 L C 2.757 179.611 176.870 -0.028 0.000 1.078 189 L CA 1.970 56.800 54.840 -0.018 0.000 0.749 189 L CB -0.629 41.400 42.059 -0.051 0.000 0.901 189 L HN 0.472 nan 8.230 nan 0.000 0.433 190 S N -0.278 115.419 115.700 -0.004 0.000 2.469 190 S HA -0.132 4.444 4.470 0.176 0.000 0.238 190 S C 1.866 176.489 174.600 0.037 0.000 0.998 190 S CA 0.700 58.890 58.200 -0.016 0.000 0.957 190 S CB -0.655 62.550 63.200 0.009 0.000 0.764 190 S HN 0.376 nan 8.310 nan 0.000 0.514 191 I N 1.363 121.994 120.570 0.101 0.000 2.286 191 I HA -0.163 4.113 4.170 0.176 0.000 0.248 191 I C 2.218 178.351 176.117 0.026 0.000 1.115 191 I CA 1.240 62.612 61.300 0.119 0.000 1.392 191 I CB -0.404 37.603 38.000 0.013 0.000 1.065 191 I HN 0.334 nan 8.210 nan 0.000 0.418 192 L N 0.065 121.271 121.223 -0.028 0.000 2.191 192 L HA -0.187 4.259 4.340 0.176 0.000 0.212 192 L C 1.246 177.982 176.870 -0.223 0.000 1.103 192 L CA 0.988 55.798 54.840 -0.050 0.000 0.769 192 L CB -0.600 41.450 42.059 -0.015 0.000 0.908 192 L HN 0.272 nan 8.230 nan 0.000 0.438 193 D N -0.110 120.038 120.400 -0.420 0.000 2.319 193 D HA 0.018 4.764 4.640 0.176 0.000 0.230 193 D C 1.499 177.470 176.300 -0.548 0.000 1.094 193 D CA 0.312 53.691 54.000 -1.036 0.000 0.856 193 D CB 0.345 40.671 40.800 -0.790 0.000 0.915 193 D HN 0.220 nan 8.370 nan 0.000 0.517 194 R N 0.080 120.496 120.500 -0.139 0.000 2.531 194 R HA 0.109 4.555 4.340 0.176 0.000 0.316 194 R C 0.790 177.177 176.300 0.145 0.000 0.955 194 R CA -0.035 56.105 56.100 0.067 0.000 1.120 194 R CB 0.459 30.855 30.300 0.160 0.000 1.361 194 R HN 0.088 nan 8.270 nan 0.000 0.534 195 S N -0.230 115.553 115.700 0.139 0.000 2.617 195 S HA 0.216 4.792 4.470 0.176 0.000 0.259 195 S C 1.571 176.275 174.600 0.173 0.000 1.301 195 S CA -0.526 57.757 58.200 0.139 0.000 0.984 195 S CB 0.940 64.202 63.200 0.103 0.000 0.954 195 S HN 0.084 nan 8.310 nan 0.000 0.572 196 L N 0.961 122.255 121.223 0.119 0.000 2.093 196 L HA -0.112 4.334 4.340 0.176 0.000 0.208 196 L C 2.237 179.179 176.870 0.120 0.000 1.085 196 L CA 1.328 56.232 54.840 0.106 0.000 0.755 196 L CB -0.947 41.151 42.059 0.066 0.000 0.904 196 L HN 0.670 nan 8.230 nan 0.000 0.435 197 N N 0.156 118.935 118.700 0.131 0.000 2.084 197 N HA -0.248 4.598 4.740 0.176 0.000 0.190 197 N C 1.629 177.263 175.510 0.207 0.000 1.030 197 N CA 1.394 54.546 53.050 0.170 0.000 0.849 197 N CB -0.535 38.082 38.487 0.217 0.000 1.012 197 N HN 0.193 nan 8.380 nan 0.000 0.423 198 F N 1.479 121.493 119.950 0.106 0.000 2.186 198 F HA 0.001 4.645 4.527 0.196 0.000 0.299 198 F C 2.114 177.965 175.800 0.085 0.000 1.090 198 F CA 1.158 59.218 58.000 0.100 0.000 1.307 198 F CB 0.101 39.154 39.000 0.088 0.000 1.019 198 F HN -0.104 nan 8.300 nan 0.000 0.489 199 R N -0.420 120.188 120.500 0.180 0.000 2.148 199 R HA -0.084 4.362 4.340 0.176 0.000 0.223 199 R C 2.333 178.632 176.300 -0.003 0.000 1.088 199 R CA 1.066 57.214 56.100 0.079 0.000 0.985 199 R CB -0.245 30.138 30.300 0.138 0.000 0.880 199 R HN 0.247 nan 8.270 nan 0.000 0.451 200 R N 0.264 120.773 120.500 0.015 0.000 2.062 200 R HA -0.065 4.381 4.340 0.176 0.000 0.229 200 R C -0.170 176.105 176.300 -0.042 0.000 1.128 200 R CA 1.379 57.479 56.100 0.000 0.000 0.960 200 R CB 0.386 30.703 30.300 0.029 0.000 0.855 200 R HN -0.054 nan 8.270 nan 0.000 0.432 201 D N -1.558 118.803 120.400 -0.065 0.000 2.351 201 D HA 0.176 4.921 4.640 0.176 0.000 0.235 201 D C -0.175 176.035 176.300 -0.149 0.000 1.331 201 D CA 0.063 54.005 54.000 -0.098 0.000 0.959 201 D CB 1.372 42.141 40.800 -0.052 0.000 1.432 201 D HN 0.183 nan 8.370 nan 0.000 0.544 202 A N 2.719 125.353 122.820 -0.310 0.000 1.933 202 A HA 0.059 4.485 4.320 0.176 0.000 0.218 202 A C 2.143 179.684 177.584 -0.072 0.000 1.175 202 A CA 1.937 53.658 52.037 -0.526 0.000 0.628 202 A CB -0.328 18.141 19.000 -0.885 0.000 0.814 202 A HN 0.581 nan 8.150 nan 0.000 0.444 203 A N -1.046 121.805 122.820 0.052 0.000 1.877 203 A HA -0.109 4.317 4.320 0.176 0.000 0.216 203 A C 2.332 179.929 177.584 0.022 0.000 1.186 203 A CA 2.376 54.467 52.037 0.090 0.000 0.620 203 A CB -1.271 17.731 19.000 0.003 0.000 0.822 203 A HN 0.418 nan 8.150 nan 0.000 0.443 204 T N -0.546 113.997 114.554 -0.018 0.000 2.777 204 T HA -0.114 4.341 4.350 0.176 0.000 0.266 204 T C 1.682 176.351 174.700 -0.052 0.000 1.040 204 T CA 1.628 63.706 62.100 -0.036 0.000 1.141 204 T CB -0.402 68.443 68.868 -0.037 0.000 0.868 204 T HN 0.712 nan 8.240 nan 0.000 0.444 205 D N 0.851 121.262 120.400 0.019 0.000 2.087 205 D HA -0.116 4.630 4.640 0.176 0.000 0.192 205 D C 2.067 178.414 176.300 0.078 0.000 0.993 205 D CA 1.164 55.227 54.000 0.104 0.000 0.828 205 D CB -0.335 40.652 40.800 0.311 0.000 0.968 205 D HN 0.134 nan 8.370 nan 0.000 0.448 206 V N 0.712 120.709 119.914 0.139 0.000 2.380 206 V HA -0.259 3.967 4.120 0.176 0.000 0.251 206 V C 2.528 178.635 176.094 0.021 0.000 1.063 206 V CA 1.874 64.235 62.300 0.102 0.000 1.055 206 V CB -0.996 30.887 31.823 0.099 0.000 0.657 206 V HN 0.411 nan 8.190 nan 0.000 0.455 207 A N -0.702 122.113 122.820 -0.009 0.000 2.015 207 A HA -0.153 4.273 4.320 0.176 0.000 0.219 207 A C 2.367 179.905 177.584 -0.077 0.000 1.163 207 A CA 1.900 53.925 52.037 -0.020 0.000 0.646 207 A CB -0.455 18.535 19.000 -0.018 0.000 0.806 207 A HN 0.517 nan 8.150 nan 0.000 0.448 208 S N -0.524 115.044 115.700 -0.221 0.000 2.522 208 S HA -0.002 4.574 4.470 0.176 0.000 0.227 208 S C 1.505 175.982 174.600 -0.205 0.000 0.986 208 S CA 0.191 58.134 58.200 -0.428 0.000 0.929 208 S CB -0.177 62.275 63.200 -1.247 0.000 0.769 208 S HN 0.590 nan 8.310 nan 0.000 0.529 209 R N 2.582 123.069 120.500 -0.021 0.000 2.369 209 R HA 0.045 4.491 4.340 0.176 0.000 0.200 209 R C 1.218 177.592 176.300 0.123 0.000 1.046 209 R CA 0.584 56.763 56.100 0.131 0.000 1.057 209 R CB -0.335 30.022 30.300 0.096 0.000 0.888 209 R HN 0.457 nan 8.270 nan 0.000 0.474 210 N N -0.169 118.601 118.700 0.116 0.000 2.280 210 N HA -0.070 4.776 4.740 0.176 0.000 0.192 210 N C -0.516 175.159 175.510 0.275 0.000 1.109 210 N CA 0.169 53.312 53.050 0.155 0.000 0.855 210 N CB 0.408 38.963 38.487 0.114 0.000 0.974 210 N HN -0.024 nan 8.380 nan 0.000 0.482 211 D N 1.453 122.002 120.400 0.249 0.000 2.425 211 D HA 0.300 5.045 4.640 0.176 0.000 0.240 211 D C -1.697 174.640 176.300 0.061 0.000 1.080 211 D CA -2.314 51.775 54.000 0.148 0.000 0.836 211 D CB 2.261 43.110 40.800 0.082 0.000 1.125 211 D HN -0.114 nan 8.370 nan 0.000 0.525 212 P HA -0.157 nan 4.420 nan 0.000 0.220 212 P C 0.761 177.545 177.300 -0.860 0.000 1.148 212 P CA 0.966 63.565 63.100 -0.834 0.000 0.803 212 P CB 0.500 31.388 31.700 -1.353 0.000 0.782 213 K N -1.039 118.956 120.400 -0.675 0.000 2.057 213 K HA -0.169 4.257 4.320 0.176 0.000 0.206 213 K C 2.417 178.926 176.600 -0.152 0.000 1.050 213 K CA 1.299 57.379 56.287 -0.345 0.000 0.935 213 K CB -0.687 31.778 32.500 -0.058 0.000 0.715 213 K HN 0.140 nan 8.250 nan 0.000 0.439 214 Y N 1.630 121.832 120.300 -0.164 0.000 2.184 214 Y HA -0.201 4.453 4.550 0.172 0.000 0.290 214 Y C 2.060 177.919 175.900 -0.068 0.000 1.129 214 Y CA 0.998 59.041 58.100 -0.095 0.000 1.144 214 Y CB -0.167 38.281 38.460 -0.021 0.000 0.995 214 Y HN -0.266 nan 8.280 nan 0.000 0.513 215 V N 0.153 120.119 119.914 0.087 0.000 2.343 215 V HA -0.274 3.952 4.120 0.176 0.000 0.247 215 V C 2.591 178.646 176.094 -0.065 0.000 1.051 215 V CA 1.931 64.264 62.300 0.054 0.000 1.036 215 V CB -1.611 30.355 31.823 0.240 0.000 0.654 215 V HN 0.630 nan 8.190 nan 0.000 0.451 216 G N -0.403 108.337 108.800 -0.101 0.000 2.421 216 G HA2 -0.313 3.753 3.960 0.176 0.000 0.216 216 G HA3 -0.313 3.753 3.960 0.176 0.000 0.216 216 G C 1.727 176.571 174.900 -0.093 0.000 1.171 216 G CA 1.004 46.076 45.100 -0.047 0.000 0.775 216 G HN 0.434 nan 8.290 nan 0.000 0.543 217 R N -0.255 120.128 120.500 -0.196 0.000 2.096 217 R HA -0.018 4.428 4.340 0.176 0.000 0.235 217 R C 2.660 178.810 176.300 -0.251 0.000 1.127 217 R CA 1.260 57.202 56.100 -0.264 0.000 0.968 217 R CB -0.352 29.684 30.300 -0.439 0.000 0.861 217 R HN 0.256 nan 8.270 nan 0.000 0.440 218 V N 1.297 121.020 119.914 -0.318 0.000 2.295 218 V HA -0.271 3.955 4.120 0.176 0.000 0.246 218 V C 2.333 178.348 176.094 -0.131 0.000 1.049 218 V CA 1.810 63.954 62.300 -0.261 0.000 1.024 218 V CB -0.384 31.254 31.823 -0.309 0.000 0.648 218 V HN 0.359 nan 8.190 nan 0.000 0.447 219 L N 0.818 121.984 121.223 -0.095 0.000 2.083 219 L HA -0.166 4.280 4.340 0.176 0.000 0.209 219 L C 2.658 179.504 176.870 -0.041 0.000 1.083 219 L CA 1.858 56.667 54.840 -0.052 0.000 0.752 219 L CB -0.771 41.278 42.059 -0.018 0.000 0.899 219 L HN 0.575 nan 8.230 nan 0.000 0.433 220 S N -0.330 115.344 115.700 -0.043 0.000 2.469 220 S HA -0.086 4.490 4.470 0.176 0.000 0.238 220 S C 1.834 176.416 174.600 -0.030 0.000 0.998 220 S CA 0.822 59.008 58.200 -0.024 0.000 0.957 220 S CB -0.057 63.123 63.200 -0.032 0.000 0.764 220 S HN 0.375 nan 8.310 nan 0.000 0.514 221 A N 1.317 124.111 122.820 -0.044 0.000 1.920 221 A HA 0.444 4.870 4.320 0.176 0.000 0.209 221 A C 2.148 179.728 177.584 -0.007 0.000 1.229 221 A CA 0.526 52.552 52.037 -0.019 0.000 0.671 221 A CB -0.363 18.614 19.000 -0.037 0.000 0.886 221 A HN 0.467 nan 8.150 nan 0.000 0.461 222 M N 0.314 119.894 119.600 -0.033 0.000 2.476 222 M HA 0.057 4.643 4.480 0.176 0.000 0.262 222 M C 1.444 177.672 176.300 -0.119 0.000 1.079 222 M CA 0.766 56.034 55.300 -0.053 0.000 1.104 222 M CB -0.782 31.781 32.600 -0.062 0.000 1.409 222 M HN 0.271 nan 8.290 nan 0.000 0.467 223 I N 0.751 121.277 120.570 -0.072 0.000 2.830 223 I HA -0.145 4.130 4.170 0.176 0.000 0.263 223 I C 0.465 176.626 176.117 0.073 0.000 1.230 223 I CA 0.489 61.754 61.300 -0.059 0.000 1.480 223 I CB -1.510 36.511 38.000 0.035 0.000 1.095 223 I HN 0.335 nan 8.210 nan 0.000 0.455 224 N N -0.660 118.101 118.700 0.101 0.000 2.399 224 N HA 0.097 4.943 4.740 0.176 0.000 0.295 224 N C 0.761 176.335 175.510 0.107 0.000 1.048 224 N CA -0.191 52.979 53.050 0.200 0.000 0.886 224 N CB 1.049 39.545 38.487 0.015 0.000 1.185 224 N HN -0.061 nan 8.380 nan 0.000 0.487 225 S N 0.850 116.630 115.700 0.133 0.000 2.507 225 S HA -0.095 4.481 4.470 0.176 0.000 0.235 225 S C 0.060 174.737 174.600 0.129 0.000 0.988 225 S CA -0.069 58.208 58.200 0.129 0.000 0.944 225 S CB -0.963 62.324 63.200 0.144 0.000 0.762 225 S HN 0.667 nan 8.310 nan 0.000 0.526 226 N N 3.140 121.907 118.700 0.113 0.000 2.412 226 N HA 0.134 4.980 4.740 0.176 0.000 0.254 226 N C 0.212 175.829 175.510 0.179 0.000 1.232 226 N CA 0.879 54.015 53.050 0.143 0.000 0.880 226 N CB 0.006 38.561 38.487 0.113 0.000 1.076 226 N HN 0.177 nan 8.380 nan 0.000 0.458 227 D N -0.469 120.035 120.400 0.174 0.000 2.673 227 D HA -0.236 4.510 4.640 0.176 0.000 0.186 227 D C -0.219 176.147 176.300 0.110 0.000 1.079 227 D CA 1.925 56.006 54.000 0.134 0.000 1.050 227 D CB -0.864 40.011 40.800 0.126 0.000 1.118 227 D HN 0.828 nan 8.370 nan 0.000 0.426 228 D N -1.214 119.257 120.400 0.119 0.000 2.602 228 D HA 0.201 4.947 4.640 0.176 0.000 0.265 228 D C -0.207 176.184 176.300 0.152 0.000 1.454 228 D CA -0.269 53.803 54.000 0.120 0.000 0.795 228 D CB -0.600 40.264 40.800 0.107 0.000 1.140 228 D HN 0.056 nan 8.370 nan 0.000 0.486 229 N N 0.084 118.881 118.700 0.161 0.000 2.754 229 N HA -0.094 4.752 4.740 0.176 0.000 0.248 229 N C 0.675 176.380 175.510 0.324 0.000 1.093 229 N CA 1.015 54.192 53.050 0.213 0.000 0.699 229 N CB -1.169 37.428 38.487 0.182 0.000 1.016 229 N HN 0.574 nan 8.380 nan 0.000 0.552 230 G N -1.054 107.874 108.800 0.213 0.000 2.570 230 G HA2 0.312 4.378 3.960 0.176 0.000 0.276 230 G HA3 0.312 4.378 3.960 0.176 0.000 0.276 230 G C 1.295 176.180 174.900 -0.026 0.000 1.346 230 G CA -0.066 45.089 45.100 0.091 0.000 1.034 230 G HN 0.076 nan 8.290 nan 0.000 0.512 231 V N -0.223 119.384 119.914 -0.512 0.000 2.221 231 V HA 0.021 4.246 4.120 0.176 0.000 0.242 231 V C 1.322 177.263 176.094 -0.255 0.000 1.041 231 V CA 1.168 62.993 62.300 -0.790 0.000 0.995 231 V CB -0.885 30.411 31.823 -0.879 0.000 0.635 231 V HN 0.305 nan 8.190 nan 0.000 0.448 232 L N 0.551 121.674 121.223 -0.166 0.000 2.289 232 L HA 0.636 5.082 4.340 0.176 0.000 0.285 232 L C -0.026 176.898 176.870 0.089 0.000 1.049 232 L CA -0.341 54.411 54.840 -0.147 0.000 0.804 232 L CB 1.199 42.931 42.059 -0.545 0.000 1.195 232 L HN 0.242 nan 8.230 nan 0.000 0.428 233 A N 2.523 125.379 122.820 0.060 0.000 2.260 233 A HA 0.650 5.076 4.320 0.176 0.000 0.308 233 A C 0.370 178.103 177.584 0.247 0.000 1.254 233 A CA -0.308 51.844 52.037 0.192 0.000 0.874 233 A CB 0.610 19.717 19.000 0.178 0.000 1.153 233 A HN 0.771 nan 8.150 nan 0.000 0.527 234 G N 0.936 109.936 108.800 0.333 0.000 2.503 234 G HA2 0.452 4.518 3.960 0.176 0.000 0.257 234 G HA3 0.452 4.518 3.960 0.176 0.000 0.257 234 G C -0.264 174.632 174.900 -0.006 0.000 1.214 234 G CA -0.502 44.679 45.100 0.136 0.000 0.839 234 G HN 0.899 nan 8.290 nan 0.000 0.559 235 N N 0.174 118.620 118.700 -0.425 0.000 2.616 235 N HA 0.141 4.987 4.740 0.176 0.000 0.281 235 N C -0.687 174.682 175.510 -0.235 0.000 1.145 235 N CA -0.745 52.187 53.050 -0.197 0.000 0.919 235 N CB 1.109 39.388 38.487 -0.347 0.000 1.509 235 N HN 0.606 nan 8.380 nan 0.000 0.537 236 W N 2.780 124.121 121.300 0.067 0.000 2.506 236 W HA 0.143 4.908 4.660 0.175 0.000 0.394 236 W C 1.332 177.838 176.519 -0.022 0.000 0.920 236 W CA -0.282 57.082 57.345 0.031 0.000 2.221 236 W CB 0.637 29.999 29.460 -0.164 0.000 1.197 236 W HN 0.591 nan 8.180 nan 0.000 0.627 237 S N -0.884 114.861 115.700 0.076 0.000 2.501 237 S HA 0.213 4.789 4.470 0.176 0.000 0.220 237 S C 1.809 176.322 174.600 -0.146 0.000 0.997 237 S CA 1.030 59.194 58.200 -0.060 0.000 0.919 237 S CB 0.283 63.396 63.200 -0.145 0.000 0.778 237 S HN 0.369 nan 8.310 nan 0.000 0.523 238 G N 0.122 108.765 108.800 -0.261 0.000 2.241 238 G HA2 -0.205 3.861 3.960 0.176 0.000 0.244 238 G HA3 -0.205 3.861 3.960 0.176 0.000 0.244 238 G C 0.194 174.704 174.900 -0.649 0.000 0.998 238 G CA 0.278 45.236 45.100 -0.237 0.000 0.621 238 G HN 0.681 nan 8.290 nan 0.000 0.519 239 T N 0.745 114.769 114.554 -0.883 0.000 2.791 239 T HA 0.563 5.019 4.350 0.176 0.000 0.288 239 T C -0.526 173.610 174.700 -0.940 0.000 0.999 239 T CA -0.276 61.405 62.100 -0.698 0.000 0.952 239 T CB 0.821 69.501 68.868 -0.312 0.000 0.938 239 T HN 0.261 nan 8.240 nan 0.000 0.444 240 Y N 1.384 121.646 120.300 -0.064 0.000 2.781 240 Y HA 0.258 4.914 4.550 0.176 0.000 0.326 240 Y C 1.266 177.262 175.900 0.159 0.000 1.019 240 Y CA -0.995 57.081 58.100 -0.040 0.000 1.372 240 Y CB -0.172 38.325 38.460 0.061 0.000 1.260 240 Y HN 0.442 nan 8.280 nan 0.000 0.546 241 T N 0.537 115.168 114.554 0.128 0.000 2.930 241 T HA 0.314 4.770 4.350 0.176 0.000 0.306 241 T C 1.274 176.128 174.700 0.258 0.000 1.045 241 T CA 1.063 63.249 62.100 0.144 0.000 1.134 241 T CB 0.739 69.643 68.868 0.060 0.000 0.961 241 T HN 0.837 nan 8.240 nan 0.000 0.545 242 G N 1.042 109.947 108.800 0.175 0.000 2.141 242 G HA2 0.069 4.135 3.960 0.176 0.000 0.242 242 G HA3 0.069 4.135 3.960 0.176 0.000 0.242 242 G C 0.340 175.271 174.900 0.052 0.000 0.982 242 G CA 0.054 45.235 45.100 0.134 0.000 0.662 242 G HN 1.289 nan 8.290 nan 0.000 0.527 243 G N -1.372 107.483 108.800 0.092 0.000 2.578 243 G HA2 0.654 4.720 3.960 0.176 0.000 0.302 243 G HA3 0.654 4.720 3.960 0.176 0.000 0.302 243 G C -1.019 173.878 174.900 -0.005 0.000 1.243 243 G CA -0.607 44.429 45.100 -0.106 0.000 0.843 243 G HN 0.479 nan 8.290 nan 0.000 0.486 244 R N 0.352 120.796 120.500 -0.095 0.000 2.589 244 R HA 0.378 4.824 4.340 0.176 0.000 0.293 244 R C -1.131 175.057 176.300 -0.188 0.000 0.963 244 R CA -0.826 55.126 56.100 -0.246 0.000 0.905 244 R CB 1.969 31.831 30.300 -0.730 0.000 1.144 244 R HN 0.522 nan 8.270 nan 0.000 0.459 245 D N 3.396 123.665 120.400 -0.218 0.000 2.472 245 D HA -0.018 4.728 4.640 0.176 0.000 0.248 245 D C -1.535 174.515 176.300 -0.417 0.000 1.174 245 D CA -1.538 52.231 54.000 -0.385 0.000 0.883 245 D CB 1.196 41.897 40.800 -0.164 0.000 1.149 245 D HN 0.186 nan 8.370 nan 0.000 0.488 246 P HA -0.166 nan 4.420 nan 0.000 0.218 246 P C 0.914 178.326 177.300 0.186 0.000 1.147 246 P CA 1.312 64.327 63.100 -0.141 0.000 0.827 246 P CB 0.163 31.633 31.700 -0.383 0.000 0.778 247 R N -0.929 119.678 120.500 0.179 0.000 2.275 247 R HA 0.050 4.496 4.340 0.176 0.000 0.199 247 R C 2.181 178.594 176.300 0.189 0.000 0.989 247 R CA 1.209 57.537 56.100 0.380 0.000 1.016 247 R CB -0.516 29.943 30.300 0.265 0.000 0.918 247 R HN 0.343 nan 8.270 nan 0.000 0.473 248 S N -0.042 115.637 115.700 -0.035 0.000 2.436 248 S HA -0.085 4.491 4.470 0.176 0.000 0.228 248 S C 0.550 175.102 174.600 -0.080 0.000 1.014 248 S CA -0.237 57.883 58.200 -0.133 0.000 0.950 248 S CB -0.358 62.660 63.200 -0.304 0.000 0.784 248 S HN 0.250 nan 8.310 nan 0.000 0.504 249 W N 2.308 123.639 121.300 0.052 0.000 2.209 249 W HA 0.202 4.968 4.660 0.178 0.000 0.344 249 W C 0.740 177.196 176.519 -0.106 0.000 1.285 249 W CA -0.329 57.007 57.345 -0.016 0.000 1.267 249 W CB 0.322 29.841 29.460 0.098 0.000 1.167 249 W HN 0.180 nan 8.180 nan 0.000 0.574 250 D N 0.711 121.047 120.400 -0.108 0.000 2.500 250 D HA 0.243 4.989 4.640 0.176 0.000 0.217 250 D C 0.628 176.298 176.300 -1.049 0.000 1.159 250 D CA 0.303 54.072 54.000 -0.386 0.000 0.828 250 D CB 0.952 41.619 40.800 -0.220 0.000 1.039 250 D HN 0.466 nan 8.370 nan 0.000 0.512 251 G N -0.746 107.209 108.800 -1.409 0.000 2.441 251 G HA2 0.234 4.300 3.960 0.176 0.000 0.294 251 G HA3 0.234 4.300 3.960 0.176 0.000 0.294 251 G C 0.088 174.542 174.900 -0.743 0.000 1.393 251 G CA -0.239 43.862 45.100 -1.666 0.000 0.796 251 G HN -0.146 nan 8.290 nan 0.000 0.494 252 S N -0.816 114.772 115.700 -0.187 0.000 2.470 252 S HA 0.013 4.589 4.470 0.176 0.000 0.225 252 S C 2.511 177.095 174.600 -0.028 0.000 1.006 252 S CA 0.946 59.207 58.200 0.102 0.000 0.934 252 S CB 0.090 63.475 63.200 0.308 0.000 0.778 252 S HN 0.478 nan 8.310 nan 0.000 0.517 253 V N 2.805 122.686 119.914 -0.056 0.000 2.214 253 V HA -0.208 4.018 4.120 0.176 0.000 0.247 253 V C 2.559 178.641 176.094 -0.021 0.000 1.051 253 V CA 1.759 64.046 62.300 -0.022 0.000 1.003 253 V CB -0.683 31.125 31.823 -0.025 0.000 0.635 253 V HN 0.388 nan 8.190 nan 0.000 0.447 254 E N -0.134 120.048 120.200 -0.029 0.000 2.130 254 E HA -0.204 4.252 4.350 0.176 0.000 0.196 254 E C 2.114 178.701 176.600 -0.022 0.000 0.998 254 E CA 1.513 57.930 56.400 0.028 0.000 0.806 254 E CB -0.444 29.337 29.700 0.135 0.000 0.738 254 E HN 0.624 nan 8.360 nan 0.000 0.459 255 I N 0.729 121.180 120.570 -0.198 0.000 2.113 255 I HA -0.298 3.978 4.170 0.176 0.000 0.238 255 I C 2.525 178.584 176.117 -0.098 0.000 1.070 255 I CA 1.096 62.193 61.300 -0.340 0.000 1.332 255 I CB -0.343 37.336 38.000 -0.537 0.000 1.044 255 I HN 0.048 nan 8.210 nan 0.000 0.402 256 L N 0.291 121.491 121.223 -0.039 0.000 2.046 256 L HA -0.209 4.237 4.340 0.176 0.000 0.208 256 L C 2.542 179.513 176.870 0.168 0.000 1.077 256 L CA 1.461 56.351 54.840 0.084 0.000 0.747 256 L CB -0.571 41.525 42.059 0.062 0.000 0.896 256 L HN 0.180 nan 8.230 nan 0.000 0.432 257 K N -0.268 120.189 120.400 0.094 0.000 2.148 257 K HA -0.112 4.314 4.320 0.176 0.000 0.204 257 K C 1.856 178.507 176.600 0.085 0.000 1.050 257 K CA 1.064 57.402 56.287 0.084 0.000 0.942 257 K CB -0.149 32.384 32.500 0.055 0.000 0.724 257 K HN 0.258 nan 8.250 nan 0.000 0.446 258 N N 0.252 119.009 118.700 0.095 0.000 2.216 258 N HA -0.158 4.688 4.740 0.176 0.000 0.183 258 N C 1.258 176.843 175.510 0.125 0.000 1.017 258 N CA 0.791 53.899 53.050 0.096 0.000 0.861 258 N CB -0.310 38.245 38.487 0.115 0.000 0.986 258 N HN 0.278 nan 8.380 nan 0.000 0.428 259 W N 2.658 123.935 121.300 -0.038 0.000 2.333 259 W HA -0.143 4.621 4.660 0.174 0.000 0.316 259 W C 2.363 178.869 176.519 -0.023 0.000 1.215 259 W CA 1.712 59.035 57.345 -0.036 0.000 1.278 259 W CB -0.422 29.009 29.460 -0.047 0.000 1.154 259 W HN -0.024 nan 8.180 nan 0.000 0.486 260 K N 0.713 121.096 120.400 -0.028 0.000 2.002 260 K HA -0.268 4.158 4.320 0.176 0.000 0.209 260 K C 2.288 178.785 176.600 -0.172 0.000 1.048 260 K CA 2.016 58.170 56.287 -0.222 0.000 0.930 260 K CB -0.632 31.834 32.500 -0.056 0.000 0.714 260 K HN 0.099 nan 8.250 nan 0.000 0.438 261 K N 0.706 121.065 120.400 -0.069 0.000 2.211 261 K HA -0.103 4.323 4.320 0.176 0.000 0.204 261 K C 1.453 178.012 176.600 -0.068 0.000 1.047 261 K CA 1.756 58.012 56.287 -0.053 0.000 0.935 261 K CB -0.097 32.397 32.500 -0.011 0.000 0.728 261 K HN 0.265 nan 8.250 nan 0.000 0.452 262 S N -0.843 114.808 115.700 -0.081 0.000 2.671 262 S HA 0.171 4.747 4.470 0.176 0.000 0.220 262 S C 0.926 175.453 174.600 -0.122 0.000 0.951 262 S CA 0.129 58.285 58.200 -0.073 0.000 0.932 262 S CB 0.260 63.440 63.200 -0.033 0.000 0.777 262 S HN 0.483 nan 8.310 nan 0.000 0.508 263 G N 1.715 110.409 108.800 -0.178 0.000 2.198 263 G HA2 -0.250 3.816 3.960 0.176 0.000 0.257 263 G HA3 -0.250 3.816 3.960 0.176 0.000 0.257 263 G C 0.358 175.082 174.900 -0.292 0.000 1.042 263 G CA -0.113 44.867 45.100 -0.200 0.000 0.791 263 G HN 1.149 nan 8.290 nan 0.000 0.502 264 L N -2.045 118.873 121.223 -0.509 0.000 3.898 264 L HA -0.192 4.254 4.340 0.176 0.000 0.407 264 L C 0.801 177.499 176.870 -0.286 0.000 1.207 264 L CA 0.644 54.993 54.840 -0.818 0.000 0.931 264 L CB -2.328 39.291 42.059 -0.734 0.000 2.014 264 L HN 0.460 nan 8.230 nan 0.000 0.858 265 S N -0.710 114.920 115.700 -0.115 0.000 2.632 265 S HA 0.548 5.124 4.470 0.176 0.000 0.271 265 S C -1.958 172.757 174.600 0.192 0.000 1.260 265 S CA -1.026 57.203 58.200 0.049 0.000 1.010 265 S CB 1.391 64.603 63.200 0.019 0.000 0.965 265 S HN 0.015 nan 8.310 nan 0.000 0.534 266 P HA 0.079 nan 4.420 nan 0.000 0.266 266 P C -1.107 176.257 177.300 0.106 0.000 1.195 266 P CA -0.098 63.106 63.100 0.173 0.000 0.768 266 P CB 0.306 32.078 31.700 0.120 0.000 0.838 267 V N 5.497 125.454 119.914 0.072 0.000 2.406 267 V HA 0.272 4.497 4.120 0.176 0.000 0.272 267 V C 0.681 176.735 176.094 -0.066 0.000 1.043 267 V CA -0.171 62.138 62.300 0.016 0.000 0.915 267 V CB 0.552 32.345 31.823 -0.050 0.000 0.988 267 V HN 0.451 nan 8.190 nan 0.000 0.466 268 R N 4.554 124.962 120.500 -0.154 0.000 2.338 268 R HA 0.686 5.132 4.340 0.176 0.000 0.317 268 R C -1.472 174.666 176.300 -0.270 0.000 0.968 268 R CA -0.442 55.314 56.100 -0.574 0.000 0.849 268 R CB 1.497 30.984 30.300 -1.355 0.000 1.128 268 R HN 0.627 nan 8.270 nan 0.000 0.448 269 Y N -0.284 120.139 120.300 0.205 0.000 2.665 269 Y HA 0.750 5.406 4.550 0.177 0.000 0.336 269 Y C 0.691 176.581 175.900 -0.017 0.000 1.085 269 Y CA -0.979 57.151 58.100 0.049 0.000 1.096 269 Y CB 2.400 40.859 38.460 -0.002 0.000 1.301 269 Y HN 0.684 nan 8.280 nan 0.000 0.493 270 G N -0.149 108.559 108.800 -0.153 0.000 2.642 270 G HA2 0.696 4.762 3.960 0.176 0.000 0.293 270 G HA3 0.696 4.762 3.960 0.176 0.000 0.293 270 G C -1.804 172.696 174.900 -0.668 0.000 1.341 270 G CA -0.754 44.027 45.100 -0.531 0.000 0.916 270 G HN 0.454 nan 8.290 nan 0.000 0.474 271 Q N -1.269 118.080 119.800 -0.752 0.000 2.668 271 Q HA 0.279 4.725 4.340 0.176 0.000 0.298 271 Q C 1.682 177.704 176.000 0.037 0.000 1.071 271 Q CA -0.536 54.985 55.803 -0.469 0.000 0.789 271 Q CB 1.948 30.311 28.738 -0.625 0.000 1.497 271 Q HN 0.844 nan 8.270 nan 0.000 0.460 272 C N -0.744 118.975 119.300 0.698 0.000 2.385 272 C HA -0.167 4.399 4.460 0.176 0.000 0.275 272 C C 2.142 177.335 174.990 0.338 0.000 1.207 272 C CA 1.478 60.937 59.018 0.735 0.000 1.760 272 C CB -1.689 26.671 27.740 1.032 0.000 2.051 272 C HN 1.013 nan 8.230 nan 0.000 0.467 273 W N 1.928 123.362 121.300 0.223 0.000 2.425 273 W HA 0.169 4.936 4.660 0.178 0.000 0.277 273 W C 1.760 178.070 176.519 -0.349 0.000 1.231 273 W CA 1.095 58.400 57.345 -0.067 0.000 1.248 273 W CB -1.092 28.311 29.460 -0.094 0.000 1.117 273 W HN 0.200 nan 8.180 nan 0.000 0.568 274 V N 1.037 120.409 119.914 -0.904 0.000 2.379 274 V HA -0.254 3.972 4.120 0.176 0.000 0.245 274 V C 2.206 177.986 176.094 -0.522 0.000 1.044 274 V CA 1.701 63.527 62.300 -0.791 0.000 1.036 274 V CB -1.139 30.212 31.823 -0.787 0.000 0.664 274 V HN 0.090 nan 8.190 nan 0.000 0.453 275 F N 1.106 120.895 119.950 -0.268 0.000 2.134 275 F HA -0.120 4.512 4.527 0.175 0.000 0.299 275 F C 2.478 178.213 175.800 -0.108 0.000 1.097 275 F CA 1.540 59.460 58.000 -0.132 0.000 1.264 275 F CB -0.972 38.022 39.000 -0.010 0.000 1.001 275 F HN 0.087 nan 8.300 nan 0.000 0.479 276 A N 0.123 122.990 122.820 0.079 0.000 1.898 276 A HA -0.018 4.408 4.320 0.176 0.000 0.216 276 A C 2.566 180.108 177.584 -0.070 0.000 1.181 276 A CA 1.687 53.739 52.037 0.026 0.000 0.620 276 A CB -1.586 17.432 19.000 0.030 0.000 0.819 276 A HN 0.395 nan 8.150 nan 0.000 0.442 277 G N -1.026 107.590 108.800 -0.308 0.000 2.418 277 G HA2 -0.153 3.913 3.960 0.176 0.000 0.217 277 G HA3 -0.153 3.913 3.960 0.176 0.000 0.217 277 G C 1.566 176.551 174.900 0.142 0.000 1.158 277 G CA 1.674 46.568 45.100 -0.343 0.000 0.771 277 G HN 0.433 nan 8.290 nan 0.000 0.545 278 T N 1.051 115.642 114.554 0.061 0.000 2.777 278 T HA -0.100 4.356 4.350 0.176 0.000 0.266 278 T C 2.222 176.954 174.700 0.053 0.000 1.040 278 T CA 1.138 63.295 62.100 0.095 0.000 1.141 278 T CB -0.201 68.639 68.868 -0.048 0.000 0.868 278 T HN 0.139 nan 8.240 nan 0.000 0.444 279 L N 1.888 123.132 121.223 0.034 0.000 2.056 279 L HA 0.035 4.481 4.340 0.176 0.000 0.207 279 L C 2.043 178.924 176.870 0.019 0.000 1.078 279 L CA 1.648 56.507 54.840 0.032 0.000 0.749 279 L CB -0.950 41.143 42.059 0.056 0.000 0.901 279 L HN 0.223 nan 8.230 nan 0.000 0.433 280 N N -1.341 117.354 118.700 -0.009 0.000 2.104 280 N HA -0.206 4.640 4.740 0.176 0.000 0.190 280 N C 1.535 176.955 175.510 -0.149 0.000 1.024 280 N CA 1.920 54.890 53.050 -0.133 0.000 0.853 280 N CB 0.078 38.373 38.487 -0.320 0.000 1.008 280 N HN 0.447 nan 8.380 nan 0.000 0.424 281 T N 0.828 115.374 114.554 -0.013 0.000 2.684 281 T HA -0.122 4.334 4.350 0.176 0.000 0.267 281 T C 1.927 176.649 174.700 0.037 0.000 1.036 281 T CA 1.409 63.539 62.100 0.050 0.000 1.148 281 T CB -0.350 68.626 68.868 0.180 0.000 0.863 281 T HN 0.394 nan 8.240 nan 0.000 0.436 282 A N 1.143 123.988 122.820 0.042 0.000 1.858 282 A HA 0.003 4.429 4.320 0.176 0.000 0.216 282 A C 2.335 179.967 177.584 0.079 0.000 1.190 282 A CA 1.263 53.331 52.037 0.052 0.000 0.617 282 A CB -0.916 18.100 19.000 0.026 0.000 0.827 282 A HN 0.464 nan 8.150 nan 0.000 0.443 283 L N -1.051 120.212 121.223 0.067 0.000 1.989 283 L HA -0.233 4.213 4.340 0.176 0.000 0.211 283 L C 2.928 179.873 176.870 0.126 0.000 1.071 283 L CA 1.792 56.693 54.840 0.102 0.000 0.749 283 L CB -0.516 41.596 42.059 0.088 0.000 0.890 283 L HN 0.360 nan 8.230 nan 0.000 0.431 284 R N -0.197 120.342 120.500 0.065 0.000 2.096 284 R HA -0.136 4.310 4.340 0.176 0.000 0.235 284 R C 2.616 179.022 176.300 0.177 0.000 1.127 284 R CA 1.592 57.743 56.100 0.085 0.000 0.968 284 R CB -0.441 29.834 30.300 -0.042 0.000 0.861 284 R HN 0.508 nan 8.270 nan 0.000 0.440 285 S N 1.019 116.821 115.700 0.169 0.000 2.382 285 S HA -0.093 4.483 4.470 0.176 0.000 0.228 285 S C 1.917 176.711 174.600 0.323 0.000 1.027 285 S CA 0.973 59.357 58.200 0.306 0.000 0.991 285 S CB -0.319 63.007 63.200 0.209 0.000 0.823 285 S HN 0.258 nan 8.310 nan 0.000 0.469 286 L N 0.796 122.175 121.223 0.260 0.000 2.554 286 L HA 0.315 4.761 4.340 0.176 0.000 0.226 286 L C 1.876 179.010 176.870 0.440 0.000 1.137 286 L CA 0.438 55.453 54.840 0.291 0.000 0.863 286 L CB -0.534 41.706 42.059 0.300 0.000 0.985 286 L HN 0.660 nan 8.230 nan 0.000 0.451 287 G N 0.647 109.702 108.800 0.425 0.000 2.163 287 G HA2 -0.220 3.846 3.960 0.176 0.000 0.213 287 G HA3 -0.220 3.846 3.960 0.176 0.000 0.213 287 G C 0.103 175.222 174.900 0.365 0.000 0.991 287 G CA -0.546 44.833 45.100 0.464 0.000 0.653 287 G HN 0.222 nan 8.290 nan 0.000 0.518 288 I N 2.187 122.913 120.570 0.261 0.000 2.297 288 I HA 0.274 4.550 4.170 0.176 0.000 0.291 288 I C -2.069 174.151 176.117 0.172 0.000 1.033 288 I CA -2.306 59.079 61.300 0.142 0.000 1.253 288 I CB 1.465 39.512 38.000 0.078 0.000 1.396 288 I HN -0.158 nan 8.210 nan 0.000 0.476 289 P HA 0.009 nan 4.420 nan 0.000 0.263 289 P C -0.736 176.698 177.300 0.224 0.000 1.195 289 P CA 0.265 63.450 63.100 0.141 0.000 0.762 289 P CB 0.524 32.224 31.700 0.000 0.000 0.799 290 S N 2.814 118.645 115.700 0.217 0.000 2.570 290 S HA 0.867 5.443 4.470 0.176 0.000 0.270 290 S C -0.930 173.698 174.600 0.047 0.000 1.149 290 S CA -1.054 57.261 58.200 0.193 0.000 0.837 290 S CB 2.480 65.749 63.200 0.114 0.000 1.124 290 S HN 0.564 nan 8.310 nan 0.000 0.465 291 R N -0.352 120.093 120.500 -0.091 0.000 2.781 291 R HA 0.823 5.269 4.340 0.176 0.000 0.269 291 R C -1.837 174.396 176.300 -0.111 0.000 1.025 291 R CA -1.134 54.888 56.100 -0.130 0.000 0.914 291 R CB 1.035 31.145 30.300 -0.315 0.000 1.236 291 R HN 0.439 nan 8.270 nan 0.000 0.465 292 V N 2.094 121.981 119.914 -0.046 0.000 2.472 292 V HA 0.442 4.667 4.120 0.176 0.000 0.290 292 V C -0.094 175.926 176.094 -0.123 0.000 1.037 292 V CA -0.759 61.514 62.300 -0.045 0.000 0.908 292 V CB 1.517 33.357 31.823 0.029 0.000 0.985 292 V HN 0.512 nan 8.190 nan 0.000 0.454 293 I N 3.148 123.565 120.570 -0.255 0.000 2.474 293 I HA 0.452 4.728 4.170 0.176 0.000 0.294 293 I C 0.059 175.779 176.117 -0.661 0.000 1.005 293 I CA -0.169 60.851 61.300 -0.467 0.000 1.113 293 I CB 2.027 39.634 38.000 -0.655 0.000 1.289 293 I HN 0.537 nan 8.210 nan 0.000 0.436 294 T N 4.950 119.192 114.554 -0.521 0.000 2.792 294 T HA 0.306 4.762 4.350 0.176 0.000 0.280 294 T C -0.159 174.149 174.700 -0.654 0.000 0.990 294 T CA -0.570 61.195 62.100 -0.559 0.000 0.960 294 T CB 1.067 69.689 68.868 -0.411 0.000 0.939 294 T HN 0.490 nan 8.240 nan 0.000 0.439 295 N N 2.532 120.807 118.700 -0.708 0.000 2.443 295 N HA 0.453 5.299 4.740 0.176 0.000 0.269 295 N C -1.353 174.017 175.510 -0.235 0.000 0.985 295 N CA -0.694 52.073 53.050 -0.471 0.000 0.921 295 N CB 0.360 38.509 38.487 -0.563 0.000 1.195 295 N HN 0.313 nan 8.380 nan 0.000 0.492 296 F N 2.182 122.180 119.950 0.080 0.000 2.384 296 F HA 0.335 4.969 4.527 0.177 0.000 0.338 296 F C 0.850 176.743 175.800 0.155 0.000 1.103 296 F CA -0.519 57.606 58.000 0.207 0.000 1.157 296 F CB 0.705 39.828 39.000 0.206 0.000 1.167 296 F HN 0.455 nan 8.300 nan 0.000 0.529 297 N N 0.744 119.667 118.700 0.372 0.000 2.726 297 N HA -0.221 4.625 4.740 0.176 0.000 0.253 297 N C -0.674 174.945 175.510 0.182 0.000 1.059 297 N CA 0.377 53.578 53.050 0.253 0.000 0.701 297 N CB -1.198 37.403 38.487 0.189 0.000 0.899 297 N HN 0.444 nan 8.380 nan 0.000 0.548 298 S N -0.485 115.334 115.700 0.198 0.000 2.452 298 S HA 0.731 5.307 4.470 0.176 0.000 0.284 298 S C 0.286 174.902 174.600 0.026 0.000 1.171 298 S CA -0.140 58.123 58.200 0.105 0.000 1.064 298 S CB 0.596 63.879 63.200 0.137 0.000 0.967 298 S HN 0.484 nan 8.310 nan 0.000 0.484 299 A N 4.027 126.842 122.820 -0.008 0.000 2.306 299 A HA 0.436 4.862 4.320 0.176 0.000 0.314 299 A C -0.399 177.165 177.584 -0.034 0.000 1.164 299 A CA -0.548 51.496 52.037 0.011 0.000 0.822 299 A CB 0.303 19.336 19.000 0.055 0.000 1.130 299 A HN 1.004 nan 8.150 nan 0.000 0.496 300 H N 1.973 120.999 119.070 -0.073 0.000 2.691 300 H HA 0.289 4.950 4.556 0.177 0.000 0.281 300 H C -1.238 174.136 175.328 0.078 0.000 1.121 300 H CA -0.606 55.444 56.048 0.003 0.000 1.254 300 H CB 0.520 30.273 29.762 -0.015 0.000 1.390 300 H HN 0.663 nan 8.280 nan 0.000 0.491 301 D N 4.158 124.736 120.400 0.297 0.000 2.441 301 D HA -0.017 4.729 4.640 0.176 0.000 0.221 301 D C 1.248 177.647 176.300 0.165 0.000 1.156 301 D CA -0.296 53.802 54.000 0.163 0.000 0.896 301 D CB 1.019 41.908 40.800 0.149 0.000 1.028 301 D HN 0.694 nan 8.370 nan 0.000 0.509 302 T N -0.186 114.351 114.554 -0.029 0.000 3.129 302 T HA 0.008 4.464 4.350 0.176 0.000 0.251 302 T C 0.939 175.630 174.700 -0.015 0.000 1.117 302 T CA 0.110 62.180 62.100 -0.050 0.000 1.034 302 T CB 0.208 68.953 68.868 -0.205 0.000 0.968 302 T HN 0.086 nan 8.240 nan 0.000 0.526 303 D N 1.278 121.681 120.400 0.005 0.000 2.327 303 D HA 0.141 4.887 4.640 0.176 0.000 0.205 303 D C 0.927 177.237 176.300 0.018 0.000 0.989 303 D CA 0.122 54.126 54.000 0.006 0.000 0.873 303 D CB 0.129 40.936 40.800 0.012 0.000 0.955 303 D HN 0.221 nan 8.370 nan 0.000 0.515 304 R N 0.012 120.535 120.500 0.039 0.000 3.872 304 R HA -0.172 4.274 4.340 0.176 0.000 0.341 304 R C -0.236 176.067 176.300 0.005 0.000 1.172 304 R CA 0.910 57.025 56.100 0.026 0.000 0.901 304 R CB -2.913 27.390 30.300 0.005 0.000 1.422 304 R HN 0.360 nan 8.270 nan 0.000 0.523 305 N N 0.001 118.716 118.700 0.025 0.000 2.200 305 N HA 0.203 5.049 4.740 0.176 0.000 0.224 305 N C 0.689 176.222 175.510 0.038 0.000 1.179 305 N CA -0.074 52.987 53.050 0.020 0.000 0.877 305 N CB 0.217 38.733 38.487 0.048 0.000 1.072 305 N HN 0.319 nan 8.380 nan 0.000 0.519 306 L N -0.818 120.436 121.223 0.052 0.000 4.001 306 L HA -0.249 4.197 4.340 0.176 0.000 0.413 306 L C -0.350 176.684 176.870 0.274 0.000 1.185 306 L CA 0.643 55.555 54.840 0.119 0.000 0.963 306 L CB -2.353 39.620 42.059 -0.143 0.000 1.976 306 L HN 0.406 nan 8.230 nan 0.000 0.939 307 S N -0.216 115.605 115.700 0.201 0.000 2.548 307 S HA 0.790 5.366 4.470 0.176 0.000 0.276 307 S C -0.406 174.283 174.600 0.149 0.000 1.129 307 S CA -0.086 58.236 58.200 0.204 0.000 0.931 307 S CB 2.181 65.504 63.200 0.204 0.000 1.068 307 S HN 0.363 nan 8.310 nan 0.000 0.480 308 V N 1.378 121.376 119.914 0.140 0.000 2.735 308 V HA 0.735 4.961 4.120 0.176 0.000 0.310 308 V C -1.158 175.014 176.094 0.130 0.000 1.061 308 V CA -0.848 61.522 62.300 0.116 0.000 0.913 308 V CB 1.974 33.859 31.823 0.103 0.000 1.005 308 V HN 0.800 nan 8.190 nan 0.000 0.428 309 D N 2.912 123.383 120.400 0.118 0.000 2.192 309 D HA 0.606 5.352 4.640 0.176 0.000 0.246 309 D C -0.327 176.010 176.300 0.062 0.000 1.042 309 D CA -0.080 53.986 54.000 0.110 0.000 0.847 309 D CB 2.510 43.309 40.800 -0.002 0.000 1.186 309 D HN 0.850 nan 8.370 nan 0.000 0.461 310 V N -0.323 119.598 119.914 0.011 0.000 2.680 310 V HA 0.660 4.886 4.120 0.176 0.000 0.309 310 V C -1.348 174.680 176.094 -0.111 0.000 1.052 310 V CA -0.696 61.612 62.300 0.013 0.000 0.908 310 V CB 1.289 33.148 31.823 0.061 0.000 1.001 310 V HN 0.357 nan 8.190 nan 0.000 0.431 311 Y N 2.612 122.812 120.300 -0.166 0.000 2.524 311 Y HA 0.849 5.505 4.550 0.176 0.000 0.344 311 Y C -0.713 174.940 175.900 -0.413 0.000 1.012 311 Y CA -0.856 57.161 58.100 -0.139 0.000 1.068 311 Y CB 2.314 40.678 38.460 -0.159 0.000 1.249 311 Y HN 0.721 nan 8.280 nan 0.000 0.468 312 Y N 0.124 120.492 120.300 0.112 0.000 2.588 312 Y HA 0.378 5.035 4.550 0.177 0.000 0.343 312 Y C -0.789 175.121 175.900 0.016 0.000 1.065 312 Y CA -1.537 56.580 58.100 0.028 0.000 1.038 312 Y CB 1.716 40.172 38.460 -0.007 0.000 1.297 312 Y HN 0.611 nan 8.280 nan 0.000 0.467 313 D N 0.267 120.765 120.400 0.164 0.000 2.385 313 D HA 0.389 5.135 4.640 0.176 0.000 0.254 313 D C -2.426 173.932 176.300 0.096 0.000 1.053 313 D CA -2.490 51.563 54.000 0.088 0.000 0.992 313 D CB 1.114 41.957 40.800 0.071 0.000 1.145 313 D HN 0.105 nan 8.370 nan 0.000 0.523 314 P HA -0.104 nan 4.420 nan 0.000 0.220 314 P C 1.059 178.417 177.300 0.096 0.000 1.144 314 P CA 1.117 64.294 63.100 0.127 0.000 0.800 314 P CB 0.055 31.858 31.700 0.172 0.000 0.772 315 M N -2.412 117.241 119.600 0.088 0.000 2.561 315 M HA 0.251 4.837 4.480 0.176 0.000 0.238 315 M C 1.213 177.570 176.300 0.095 0.000 1.131 315 M CA 0.642 55.987 55.300 0.075 0.000 1.046 315 M CB -1.299 31.340 32.600 0.066 0.000 1.532 315 M HN 0.112 nan 8.290 nan 0.000 0.497 316 G N 1.276 110.150 108.800 0.123 0.000 2.132 316 G HA2 -0.216 3.850 3.960 0.176 0.000 0.234 316 G HA3 -0.216 3.850 3.960 0.176 0.000 0.234 316 G C 0.047 175.099 174.900 0.254 0.000 0.989 316 G CA -0.219 44.975 45.100 0.158 0.000 0.676 316 G HN 0.458 nan 8.290 nan 0.000 0.522 317 N N 1.395 120.232 118.700 0.229 0.000 2.472 317 N HA 0.408 5.254 4.740 0.176 0.000 0.277 317 N C -2.719 172.795 175.510 0.007 0.000 1.081 317 N CA -1.052 52.108 53.050 0.183 0.000 0.973 317 N CB 1.589 40.178 38.487 0.170 0.000 1.105 317 N HN 0.079 nan 8.380 nan 0.000 0.470 318 P HA 0.241 nan 4.420 nan 0.000 0.275 318 P C -0.494 176.465 177.300 -0.569 0.000 1.228 318 P CA 0.003 62.777 63.100 -0.544 0.000 0.786 318 P CB 0.897 32.300 31.700 -0.495 0.000 0.927 319 L N 1.931 122.863 121.223 -0.485 0.000 2.354 319 L HA 0.446 4.892 4.340 0.176 0.000 0.269 319 L C 0.320 177.001 176.870 -0.314 0.000 1.005 319 L CA -0.604 54.030 54.840 -0.343 0.000 0.819 319 L CB 1.842 43.787 42.059 -0.191 0.000 1.311 319 L HN 0.254 nan 8.230 nan 0.000 0.423 320 D N 2.337 122.562 120.400 -0.292 0.000 2.518 320 D HA 0.110 4.856 4.640 0.176 0.000 0.230 320 D C 0.263 176.400 176.300 -0.272 0.000 1.138 320 D CA 0.067 53.921 54.000 -0.244 0.000 0.964 320 D CB 1.018 41.691 40.800 -0.212 0.000 1.011 320 D HN 0.567 nan 8.370 nan 0.000 0.517 321 K N 1.555 121.747 120.400 -0.346 0.000 2.344 321 K HA 0.210 4.636 4.320 0.176 0.000 0.200 321 K C 0.986 177.294 176.600 -0.487 0.000 1.132 321 K CA -0.067 55.889 56.287 -0.552 0.000 0.935 321 K CB 0.441 32.307 32.500 -1.056 0.000 1.089 321 K HN 0.271 nan 8.250 nan 0.000 0.496 322 G N 0.441 109.049 108.800 -0.320 0.000 2.448 322 G HA2 0.115 4.181 3.960 0.176 0.000 0.285 322 G HA3 0.115 4.181 3.960 0.176 0.000 0.285 322 G C 0.559 175.376 174.900 -0.139 0.000 1.176 322 G CA -0.142 44.858 45.100 -0.168 0.000 0.852 322 G HN 0.283 nan 8.290 nan 0.000 0.530 323 S N 0.363 115.979 115.700 -0.139 0.000 2.453 323 S HA -0.020 4.556 4.470 0.176 0.000 0.231 323 S C 0.498 174.988 174.600 -0.184 0.000 1.005 323 S CA 0.440 58.551 58.200 -0.148 0.000 0.949 323 S CB -0.035 63.078 63.200 -0.145 0.000 0.774 323 S HN 0.496 nan 8.310 nan 0.000 0.510 324 D N 1.928 122.244 120.400 -0.139 0.000 2.383 324 D HA 0.625 5.371 4.640 0.176 0.000 0.248 324 D C 0.243 176.526 176.300 -0.028 0.000 1.170 324 D CA 0.192 54.110 54.000 -0.135 0.000 0.977 324 D CB 1.537 42.311 40.800 -0.044 0.000 1.120 324 D HN 0.483 nan 8.370 nan 0.000 0.481 325 S N -1.586 114.152 115.700 0.063 0.000 2.587 325 S HA 0.589 5.165 4.470 0.176 0.000 0.269 325 S C -1.461 173.278 174.600 0.231 0.000 1.154 325 S CA -0.921 57.368 58.200 0.149 0.000 0.824 325 S CB 1.086 64.407 63.200 0.202 0.000 1.118 325 S HN 0.117 nan 8.310 nan 0.000 0.462 326 V N 1.747 121.807 119.914 0.244 0.000 2.444 326 V HA 0.538 4.764 4.120 0.176 0.000 0.294 326 V C -1.259 175.060 176.094 0.375 0.000 1.022 326 V CA -0.444 62.014 62.300 0.263 0.000 0.850 326 V CB 1.180 33.108 31.823 0.175 0.000 0.992 326 V HN 0.884 nan 8.190 nan 0.000 0.426 327 W N 2.882 124.190 121.300 0.012 0.000 2.381 327 W HA 0.493 5.259 4.660 0.176 0.000 0.329 327 W C 1.365 177.947 176.519 0.105 0.000 1.157 327 W CA -1.234 56.099 57.345 -0.020 0.000 1.240 327 W CB 0.288 29.699 29.460 -0.081 0.000 1.199 327 W HN 0.495 nan 8.180 nan 0.000 0.579 328 N N 1.422 120.320 118.700 0.330 0.000 2.192 328 N HA -0.145 4.701 4.740 0.176 0.000 0.188 328 N C -0.075 175.808 175.510 0.621 0.000 1.013 328 N CA 1.391 54.707 53.050 0.444 0.000 0.863 328 N CB -0.251 38.531 38.487 0.492 0.000 0.990 328 N HN 0.409 nan 8.380 nan 0.000 0.430 329 F N -2.920 117.325 119.950 0.491 0.000 2.769 329 F HA 0.498 5.131 4.527 0.176 0.000 0.313 329 F C -1.271 174.847 175.800 0.529 0.000 1.146 329 F CA -1.364 56.777 58.000 0.236 0.000 0.934 329 F CB 0.956 39.828 39.000 -0.212 0.000 1.283 329 F HN -0.133 nan 8.300 nan 0.000 0.443 330 H N 1.010 120.276 119.070 0.327 0.000 2.865 330 H HA 0.802 5.464 4.556 0.176 0.000 0.362 330 H C -2.106 173.332 175.328 0.182 0.000 1.114 330 H CA -0.974 55.275 56.048 0.335 0.000 1.208 330 H CB 2.152 31.961 29.762 0.078 0.000 1.727 330 H HN 0.737 nan 8.280 nan 0.000 0.534 331 V N 5.590 125.408 119.914 -0.161 0.000 2.581 331 V HA 0.515 4.740 4.120 0.176 0.000 0.303 331 V C -0.701 175.212 176.094 -0.301 0.000 1.041 331 V CA -0.296 61.847 62.300 -0.262 0.000 0.907 331 V CB 0.871 32.751 31.823 0.095 0.000 0.994 331 V HN 0.894 nan 8.190 nan 0.000 0.442 332 W N 3.322 124.470 121.300 -0.253 0.000 3.163 332 W HA 0.723 5.489 4.660 0.176 0.000 0.395 332 W C -1.407 175.067 176.519 -0.074 0.000 1.100 332 W CA -1.080 56.168 57.345 -0.161 0.000 1.134 332 W CB 0.705 30.067 29.460 -0.162 0.000 1.496 332 W HN 0.391 nan 8.180 nan 0.000 0.605 333 N N -0.071 118.894 118.700 0.443 0.000 2.380 333 N HA 0.533 5.378 4.740 0.176 0.000 0.290 333 N C -1.730 173.964 175.510 0.307 0.000 1.236 333 N CA -1.062 52.138 53.050 0.251 0.000 0.780 333 N CB 2.237 40.809 38.487 0.142 0.000 1.438 333 N HN 0.432 nan 8.380 nan 0.000 0.491 334 E N -0.478 119.818 120.200 0.161 0.000 2.246 334 E HA 0.560 5.016 4.350 0.176 0.000 0.266 334 E C -0.801 175.982 176.600 0.305 0.000 0.880 334 E CA -0.966 55.556 56.400 0.202 0.000 0.762 334 E CB 2.092 31.817 29.700 0.041 0.000 1.180 334 E HN 0.589 nan 8.360 nan 0.000 0.416 335 G N 1.870 110.823 108.800 0.255 0.000 2.417 335 G HA2 0.325 4.391 3.960 0.176 0.000 0.334 335 G HA3 0.325 4.391 3.960 0.176 0.000 0.334 335 G C -1.452 173.415 174.900 -0.055 0.000 1.150 335 G CA -0.537 44.695 45.100 0.220 0.000 0.923 335 G HN 0.455 nan 8.290 nan 0.000 0.485 336 W N 3.436 124.548 121.300 -0.313 0.000 2.361 336 W HA 0.627 5.393 4.660 0.176 0.000 0.314 336 W C -1.835 174.471 176.519 -0.354 0.000 1.041 336 W CA -1.201 55.745 57.345 -0.665 0.000 1.241 336 W CB 0.956 29.856 29.460 -0.933 0.000 1.279 336 W HN 0.456 nan 8.180 nan 0.000 0.436 337 F N 3.099 122.645 119.950 -0.673 0.000 2.769 337 F HA 0.411 5.045 4.527 0.179 0.000 0.313 337 F C -0.660 174.856 175.800 -0.472 0.000 1.146 337 F CA -1.659 56.044 58.000 -0.495 0.000 0.934 337 F CB -0.442 38.400 39.000 -0.264 0.000 1.283 337 F HN 0.146 nan 8.300 nan 0.000 0.443 338 V N 0.148 120.019 119.914 -0.073 0.000 3.185 338 V HA 0.614 4.840 4.120 0.176 0.000 0.305 338 V C -0.052 176.094 176.094 0.088 0.000 1.090 338 V CA -0.609 61.648 62.300 -0.072 0.000 1.107 338 V CB 0.937 32.743 31.823 -0.028 0.000 1.061 338 V HN 0.877 nan 8.190 nan 0.000 0.480 339 R N 2.000 122.533 120.500 0.055 0.000 2.477 339 R HA 0.313 4.759 4.340 0.176 0.000 0.285 339 R C 1.236 177.578 176.300 0.070 0.000 1.415 339 R CA 0.439 56.601 56.100 0.103 0.000 1.446 339 R CB 0.666 31.026 30.300 0.099 0.000 1.110 339 R HN 1.076 nan 8.270 nan 0.000 0.590 340 S N -0.067 115.671 115.700 0.062 0.000 2.440 340 S HA -0.177 4.399 4.470 0.176 0.000 0.238 340 S C 1.199 175.820 174.600 0.034 0.000 1.010 340 S CA 1.431 59.657 58.200 0.044 0.000 0.972 340 S CB -0.006 63.218 63.200 0.040 0.000 0.774 340 S HN 0.515 nan 8.310 nan 0.000 0.501 341 D N 1.363 121.787 120.400 0.040 0.000 2.323 341 D HA 0.010 4.756 4.640 0.176 0.000 0.209 341 D C 1.727 178.001 176.300 -0.043 0.000 0.973 341 D CA 0.400 54.407 54.000 0.011 0.000 0.874 341 D CB -0.272 40.553 40.800 0.041 0.000 0.930 341 D HN 0.502 nan 8.370 nan 0.000 0.521 342 L N -0.784 120.412 121.223 -0.045 0.000 2.467 342 L HA 0.424 4.870 4.340 0.176 0.000 0.213 342 L C 1.281 178.124 176.870 -0.044 0.000 1.053 342 L CA 0.412 55.157 54.840 -0.158 0.000 0.847 342 L CB 0.258 42.147 42.059 -0.283 0.000 1.075 342 L HN 0.269 nan 8.230 nan 0.000 0.479 343 G N -0.237 108.614 108.800 0.083 0.000 2.347 343 G HA2 -0.043 4.023 3.960 0.176 0.000 0.477 343 G HA3 -0.043 4.023 3.960 0.176 0.000 0.477 343 G C -2.548 172.446 174.900 0.157 0.000 1.349 343 G CA -0.292 44.894 45.100 0.143 0.000 1.000 343 G HN -0.189 nan 8.290 nan 0.000 0.605 344 P HA -0.035 nan 4.420 nan 0.000 0.225 344 P C 1.507 178.794 177.300 -0.021 0.000 1.148 344 P CA 1.925 65.041 63.100 0.028 0.000 0.779 344 P CB 0.102 31.810 31.700 0.014 0.000 0.780 345 S N -2.478 113.192 115.700 -0.050 0.000 2.548 345 S HA 0.038 4.614 4.470 0.176 0.000 0.215 345 S C 1.223 175.571 174.600 -0.420 0.000 0.976 345 S CA -0.266 57.780 58.200 -0.257 0.000 0.908 345 S CB -0.907 62.068 63.200 -0.374 0.000 0.781 345 S HN 0.086 nan 8.310 nan 0.000 0.519 346 Y N 2.167 122.425 120.300 -0.070 0.000 2.485 346 Y HA 0.474 5.130 4.550 0.177 0.000 0.260 346 Y C 1.695 177.505 175.900 -0.150 0.000 1.173 346 Y CA -0.656 57.392 58.100 -0.087 0.000 1.252 346 Y CB -0.245 38.182 38.460 -0.055 0.000 1.123 346 Y HN 0.380 nan 8.280 nan 0.000 0.524 347 G N -0.160 108.579 108.800 -0.101 0.000 2.611 347 G HA2 0.453 4.519 3.960 0.176 0.000 0.273 347 G HA3 0.453 4.519 3.960 0.176 0.000 0.273 347 G C 0.575 175.172 174.900 -0.504 0.000 1.305 347 G CA 0.406 45.339 45.100 -0.278 0.000 1.010 347 G HN 0.567 nan 8.290 nan 0.000 0.509 348 G N -1.575 106.634 108.800 -0.986 0.000 2.445 348 G HA2 -0.145 3.920 3.960 0.176 0.000 0.212 348 G HA3 -0.145 3.920 3.960 0.176 0.000 0.212 348 G C -0.311 173.940 174.900 -1.081 0.000 1.217 348 G CA -0.264 43.928 45.100 -1.514 0.000 1.002 348 G HN 0.811 nan 8.290 nan 0.000 0.574 349 W N 2.019 123.140 121.300 -0.298 0.000 2.251 349 W HA 0.538 5.303 4.660 0.176 0.000 0.327 349 W C 0.550 176.891 176.519 -0.297 0.000 1.361 349 W CA -0.086 57.160 57.345 -0.164 0.000 1.234 349 W CB 0.657 30.099 29.460 -0.030 0.000 1.212 349 W HN 0.357 nan 8.180 nan 0.000 0.557 350 Q N 2.837 122.592 119.800 -0.075 0.000 2.321 350 Q HA 0.313 4.759 4.340 0.176 0.000 0.270 350 Q C -0.606 175.413 176.000 0.032 0.000 1.032 350 Q CA -1.004 54.714 55.803 -0.142 0.000 0.784 350 Q CB 1.855 30.311 28.738 -0.470 0.000 1.264 350 Q HN 0.231 nan 8.270 nan 0.000 0.448 351 V N 3.859 123.809 119.914 0.060 0.000 2.655 351 V HA 0.225 4.451 4.120 0.176 0.000 0.300 351 V C 0.275 176.389 176.094 0.033 0.000 1.044 351 V CA 0.156 62.490 62.300 0.057 0.000 1.095 351 V CB 0.257 32.032 31.823 -0.080 0.000 0.952 351 V HN 0.553 nan 8.190 nan 0.000 0.485 352 L N 4.453 125.713 121.223 0.062 0.000 2.436 352 L HA 0.606 5.052 4.340 0.176 0.000 0.268 352 L C -1.103 175.810 176.870 0.071 0.000 0.974 352 L CA -0.414 54.464 54.840 0.063 0.000 0.826 352 L CB 2.315 44.439 42.059 0.109 0.000 1.291 352 L HN 0.543 nan 8.230 nan 0.000 0.406 353 D N 1.734 122.159 120.400 0.041 0.000 2.686 353 D HA 0.458 5.203 4.640 0.176 0.000 0.249 353 D C 0.130 176.459 176.300 0.049 0.000 1.260 353 D CA -0.298 53.755 54.000 0.088 0.000 0.910 353 D CB 2.433 43.284 40.800 0.084 0.000 1.323 353 D HN 0.568 nan 8.370 nan 0.000 0.561 354 A N 2.693 125.546 122.820 0.056 0.000 2.218 354 A HA 0.140 4.566 4.320 0.176 0.000 0.209 354 A C 0.932 178.349 177.584 -0.279 0.000 1.168 354 A CA 0.306 52.331 52.037 -0.020 0.000 0.804 354 A CB -0.048 19.008 19.000 0.093 0.000 0.834 354 A HN 0.457 nan 8.150 nan 0.000 0.482 355 T N 3.638 118.043 114.554 -0.248 0.000 2.834 355 T HA 0.314 4.769 4.350 0.176 0.000 0.298 355 T C -2.514 171.974 174.700 -0.354 0.000 0.966 355 T CA -0.597 61.207 62.100 -0.493 0.000 1.141 355 T CB 0.836 69.761 68.868 0.094 0.000 0.905 355 T HN 0.207 nan 8.240 nan 0.000 0.535 356 P HA 0.192 nan 4.420 nan 0.000 0.260 356 P C -0.061 176.984 177.300 -0.424 0.000 1.651 356 P CA 0.006 62.807 63.100 -0.499 0.000 1.139 356 P CB 0.640 31.773 31.700 -0.946 0.000 1.756 357 Q N 0.935 120.599 119.800 -0.227 0.000 2.606 357 Q HA 0.087 4.533 4.340 0.176 0.000 0.215 357 Q C 0.155 176.036 176.000 -0.197 0.000 0.908 357 Q CA 0.462 56.048 55.803 -0.362 0.000 0.908 357 Q CB 0.462 28.775 28.738 -0.708 0.000 1.120 357 Q HN 0.318 nan 8.270 nan 0.000 0.628 358 E N 0.904 120.846 120.200 -0.430 0.000 2.176 358 E HA 0.249 4.704 4.350 0.176 0.000 0.267 358 E C -1.225 175.145 176.600 -0.383 0.000 0.893 358 E CA -0.316 55.830 56.400 -0.422 0.000 0.761 358 E CB 1.004 30.141 29.700 -0.938 0.000 1.133 358 E HN -0.021 nan 8.360 nan 0.000 0.409 359 R N 2.132 122.357 120.500 -0.458 0.000 2.590 359 R HA 0.316 4.762 4.340 0.176 0.000 0.274 359 R C -0.495 175.598 176.300 -0.345 0.000 1.061 359 R CA -0.031 55.700 56.100 -0.615 0.000 1.081 359 R CB 0.963 30.888 30.300 -0.625 0.000 0.984 359 R HN 0.374 nan 8.270 nan 0.000 0.448 360 S N 1.985 117.516 115.700 -0.282 0.000 2.659 360 S HA 0.107 4.683 4.470 0.176 0.000 0.312 360 S C -0.535 173.994 174.600 -0.118 0.000 1.114 360 S CA -0.531 57.577 58.200 -0.153 0.000 1.063 360 S CB 0.697 63.835 63.200 -0.104 0.000 0.996 360 S HN 0.721 nan 8.310 nan 0.000 0.478 361 Q N 2.917 122.667 119.800 -0.084 0.000 2.481 361 Q HA -0.241 4.205 4.340 0.176 0.000 0.272 361 Q C 0.977 176.923 176.000 -0.090 0.000 1.157 361 Q CA 0.879 56.647 55.803 -0.059 0.000 0.935 361 Q CB -2.000 26.728 28.738 -0.017 0.000 1.338 361 Q HN 1.576 nan 8.270 nan 0.000 0.494 362 G N -1.993 106.722 108.800 -0.142 0.000 2.253 362 G HA2 -0.332 3.734 3.960 0.176 0.000 0.251 362 G HA3 -0.332 3.734 3.960 0.176 0.000 0.251 362 G C 0.269 175.030 174.900 -0.233 0.000 0.998 362 G CA 0.506 45.507 45.100 -0.165 0.000 0.621 362 G HN 1.119 nan 8.290 nan 0.000 0.524 363 V N -2.525 117.251 119.914 -0.229 0.000 3.019 363 V HA 0.861 5.087 4.120 0.176 0.000 0.317 363 V C 0.271 176.172 176.094 -0.321 0.000 1.094 363 V CA -1.819 60.342 62.300 -0.231 0.000 1.000 363 V CB 1.617 33.391 31.823 -0.082 0.000 1.060 363 V HN 0.311 nan 8.190 nan 0.000 0.443 364 F N 3.474 123.379 119.950 -0.075 0.000 2.509 364 F HA 0.486 5.118 4.527 0.175 0.000 0.350 364 F C 0.791 176.522 175.800 -0.114 0.000 1.220 364 F CA 0.213 58.146 58.000 -0.112 0.000 1.151 364 F CB 0.186 39.123 39.000 -0.105 0.000 1.379 364 F HN 0.762 nan 8.300 nan 0.000 0.610 365 Q N 2.014 121.803 119.800 -0.018 0.000 2.456 365 Q HA 0.749 5.195 4.340 0.176 0.000 0.284 365 Q C -1.676 174.282 176.000 -0.070 0.000 1.061 365 Q CA -1.085 54.688 55.803 -0.051 0.000 0.799 365 Q CB 2.504 31.189 28.738 -0.088 0.000 1.445 365 Q HN 0.432 nan 8.270 nan 0.000 0.411 366 C N 0.879 120.143 119.300 -0.060 0.000 2.947 366 C HA 0.818 5.384 4.460 0.176 0.000 0.401 366 C C 0.094 175.070 174.990 -0.023 0.000 1.019 366 C CA 1.142 60.141 59.018 -0.031 0.000 1.230 366 C CB 0.559 28.294 27.740 -0.009 0.000 1.644 366 C HN 1.401 nan 8.230 nan 0.000 0.523 367 G N 6.585 115.388 108.800 0.005 0.000 2.661 367 G HA2 0.048 4.114 3.960 0.176 0.000 0.685 367 G HA3 0.048 4.114 3.960 0.176 0.000 0.685 367 G C -3.301 171.547 174.900 -0.087 0.000 1.298 367 G CA -0.423 44.693 45.100 0.026 0.000 0.855 367 G HN 0.702 nan 8.290 nan 0.000 0.560 368 P HA 0.533 nan 4.420 nan 0.000 0.279 368 P C -0.409 177.020 177.300 0.214 0.000 1.239 368 P CA 0.438 63.640 63.100 0.170 0.000 0.789 368 P CB 1.611 33.515 31.700 0.339 0.000 0.933 369 A N 2.300 125.193 122.820 0.121 0.000 2.319 369 A HA 0.420 4.845 4.320 0.176 0.000 0.310 369 A C 0.262 177.878 177.584 0.053 0.000 1.152 369 A CA -0.703 51.393 52.037 0.097 0.000 0.783 369 A CB 0.712 19.750 19.000 0.063 0.000 1.184 369 A HN 0.462 nan 8.150 nan 0.000 0.474 370 S N 2.199 117.935 115.700 0.061 0.000 2.515 370 S HA 0.141 4.716 4.470 0.176 0.000 0.285 370 S C 1.381 175.998 174.600 0.030 0.000 1.265 370 S CA -0.263 57.968 58.200 0.051 0.000 1.079 370 S CB 0.077 63.376 63.200 0.165 0.000 0.877 370 S HN 0.723 nan 8.310 nan 0.000 0.493 371 V N 7.383 127.268 119.914 -0.049 0.000 2.407 371 V HA -0.175 4.051 4.120 0.176 0.000 0.248 371 V C 2.120 178.146 176.094 -0.114 0.000 1.055 371 V CA 1.873 64.062 62.300 -0.186 0.000 1.049 371 V CB -0.648 30.970 31.823 -0.340 0.000 0.662 371 V HN 0.893 nan 8.190 nan 0.000 0.455 372 I N 0.722 121.259 120.570 -0.054 0.000 2.226 372 I HA -0.182 4.094 4.170 0.176 0.000 0.245 372 I C 2.582 178.723 176.117 0.042 0.000 1.100 372 I CA 1.757 63.027 61.300 -0.050 0.000 1.374 372 I CB -0.880 37.050 38.000 -0.117 0.000 1.057 372 I HN 0.416 nan 8.210 nan 0.000 0.413 373 G N 0.355 109.260 108.800 0.174 0.000 2.418 373 G HA2 -0.175 3.891 3.960 0.176 0.000 0.217 373 G HA3 -0.175 3.891 3.960 0.176 0.000 0.217 373 G C 1.714 176.744 174.900 0.217 0.000 1.158 373 G CA 0.774 46.056 45.100 0.303 0.000 0.771 373 G HN 0.236 nan 8.290 nan 0.000 0.545 374 V N 0.714 120.736 119.914 0.181 0.000 2.287 374 V HA -0.195 4.031 4.120 0.176 0.000 0.248 374 V C 2.777 179.078 176.094 0.345 0.000 1.053 374 V CA 2.225 64.691 62.300 0.277 0.000 1.027 374 V CB -0.497 31.447 31.823 0.202 0.000 0.646 374 V HN 0.423 nan 8.190 nan 0.000 0.447 375 R N 0.017 120.632 120.500 0.191 0.000 2.105 375 R HA -0.171 4.275 4.340 0.176 0.000 0.239 375 R C 2.075 178.589 176.300 0.357 0.000 1.135 375 R CA 1.561 57.777 56.100 0.193 0.000 0.967 375 R CB -0.084 30.218 30.300 0.004 0.000 0.861 375 R HN 0.455 nan 8.270 nan 0.000 0.442 376 E N -0.902 119.476 120.200 0.297 0.000 2.435 376 E HA 0.045 4.501 4.350 0.176 0.000 0.195 376 E C 0.984 177.724 176.600 0.233 0.000 1.029 376 E CA 0.846 57.429 56.400 0.305 0.000 0.865 376 E CB 0.549 30.369 29.700 0.201 0.000 0.833 376 E HN 0.615 nan 8.360 nan 0.000 0.510 377 G N 2.184 111.133 108.800 0.248 0.000 2.136 377 G HA2 -0.212 3.854 3.960 0.176 0.000 0.242 377 G HA3 -0.212 3.854 3.960 0.176 0.000 0.242 377 G C -0.288 174.549 174.900 -0.105 0.000 0.989 377 G CA 0.156 45.239 45.100 -0.030 0.000 0.682 377 G HN 0.159 nan 8.290 nan 0.000 0.522 378 D N 1.187 121.602 120.400 0.025 0.000 2.688 378 D HA 0.232 4.978 4.640 0.176 0.000 0.228 378 D C 2.005 178.271 176.300 -0.056 0.000 1.116 378 D CA 0.533 54.532 54.000 -0.001 0.000 1.023 378 D CB 0.425 41.285 40.800 0.100 0.000 1.100 378 D HN 0.630 nan 8.370 nan 0.000 0.487 379 V N -0.511 119.325 119.914 -0.131 0.000 3.444 379 V HA -0.175 4.051 4.120 0.176 0.000 0.271 379 V C 1.321 177.345 176.094 -0.115 0.000 1.188 379 V CA 0.791 63.014 62.300 -0.128 0.000 1.168 379 V CB -0.516 31.177 31.823 -0.216 0.000 0.810 379 V HN 0.073 nan 8.190 nan 0.000 0.500 380 Q N 0.774 120.501 119.800 -0.121 0.000 2.424 380 Q HA 0.366 4.812 4.340 0.176 0.000 0.204 380 Q C 0.572 176.478 176.000 -0.157 0.000 0.933 380 Q CA 0.444 56.172 55.803 -0.125 0.000 0.929 380 Q CB -0.503 28.166 28.738 -0.114 0.000 1.037 380 Q HN 0.648 nan 8.270 nan 0.000 0.511 381 L N 1.619 122.737 121.223 -0.175 0.000 2.395 381 L HA 0.232 4.678 4.340 0.176 0.000 0.269 381 L C 0.228 176.949 176.870 -0.247 0.000 1.133 381 L CA -0.803 53.894 54.840 -0.239 0.000 0.812 381 L CB 0.413 42.291 42.059 -0.302 0.000 1.125 381 L HN 0.123 nan 8.230 nan 0.000 0.452 382 N N 1.597 120.059 118.700 -0.397 0.000 2.508 382 N HA 0.328 5.174 4.740 0.176 0.000 0.264 382 N C -0.872 174.511 175.510 -0.212 0.000 1.216 382 N CA 0.310 52.958 53.050 -0.670 0.000 0.943 382 N CB 0.800 38.254 38.487 -1.723 0.000 1.113 382 N HN 0.224 nan 8.380 nan 0.000 0.447 383 F N -0.427 119.517 119.950 -0.010 0.000 2.577 383 F HA 0.238 4.871 4.527 0.177 0.000 0.318 383 F C 0.647 176.447 175.800 0.001 0.000 1.065 383 F CA -0.851 57.143 58.000 -0.009 0.000 0.929 383 F CB 1.036 40.034 39.000 -0.003 0.000 1.237 383 F HN 0.341 nan 8.300 nan 0.000 0.468 384 D N 1.449 121.958 120.400 0.181 0.000 2.737 384 D HA -0.240 4.505 4.640 0.176 0.000 0.233 384 D C 1.310 177.690 176.300 0.133 0.000 1.155 384 D CA 0.808 54.892 54.000 0.139 0.000 0.667 384 D CB -0.838 40.051 40.800 0.148 0.000 1.060 384 D HN 0.614 nan 8.370 nan 0.000 0.427 385 M N -1.137 118.511 119.600 0.080 0.000 2.132 385 M HA -0.102 4.484 4.480 0.176 0.000 0.263 385 M C -0.687 175.672 176.300 0.099 0.000 1.065 385 M CA 1.635 56.981 55.300 0.077 0.000 1.122 385 M CB -0.983 31.639 32.600 0.037 0.000 1.365 385 M HN 0.039 nan 8.290 nan 0.000 0.411 386 P HA -0.214 nan 4.420 nan 0.000 0.214 386 P C 1.412 178.801 177.300 0.148 0.000 1.163 386 P CA 1.345 64.487 63.100 0.071 0.000 0.889 386 P CB -0.261 31.462 31.700 0.039 0.000 0.790 387 F N 0.190 120.150 119.950 0.016 0.000 2.069 387 F HA -0.192 4.441 4.527 0.177 0.000 0.298 387 F C 2.023 177.809 175.800 -0.022 0.000 1.113 387 F CA 1.533 59.532 58.000 -0.003 0.000 1.214 387 F CB -1.013 37.958 39.000 -0.048 0.000 0.978 387 F HN -0.219 nan 8.300 nan 0.000 0.474 388 I N -0.893 119.515 120.570 -0.270 0.000 2.315 388 I HA -0.277 3.998 4.170 0.176 0.000 0.248 388 I C 2.376 178.371 176.117 -0.203 0.000 1.117 388 I CA 1.414 62.456 61.300 -0.429 0.000 1.404 388 I CB -0.683 37.177 38.000 -0.233 0.000 1.071 388 I HN 0.191 nan 8.210 nan 0.000 0.419 389 F N 1.804 121.676 119.950 -0.131 0.000 2.171 389 F HA -0.221 4.412 4.527 0.176 0.000 0.300 389 F C 2.490 178.263 175.800 -0.045 0.000 1.090 389 F CA 1.413 59.392 58.000 -0.036 0.000 1.293 389 F CB -0.147 38.842 39.000 -0.018 0.000 1.013 389 F HN -0.003 nan 8.300 nan 0.000 0.486 390 A N 0.121 122.999 122.820 0.096 0.000 1.902 390 A HA -0.200 4.226 4.320 0.176 0.000 0.217 390 A C 2.075 179.602 177.584 -0.096 0.000 1.181 390 A CA 1.826 53.889 52.037 0.044 0.000 0.623 390 A CB -0.826 18.203 19.000 0.050 0.000 0.818 390 A HN 0.550 nan 8.150 nan 0.000 0.443 391 E N -0.282 119.750 120.200 -0.280 0.000 2.110 391 E HA -0.149 4.307 4.350 0.176 0.000 0.193 391 E C 1.882 178.434 176.600 -0.081 0.000 0.988 391 E CA 1.752 58.005 56.400 -0.244 0.000 0.804 391 E CB -0.302 29.162 29.700 -0.394 0.000 0.745 391 E HN 0.680 nan 8.360 nan 0.000 0.458 392 V N -2.039 117.809 119.914 -0.109 0.000 3.590 392 V HA 0.200 4.425 4.120 0.176 0.000 0.265 392 V C 0.915 176.930 176.094 -0.132 0.000 1.239 392 V CA 0.751 62.998 62.300 -0.089 0.000 1.117 392 V CB 0.251 32.027 31.823 -0.078 0.000 0.818 392 V HN 0.061 nan 8.190 nan 0.000 0.451 393 N N 0.336 118.929 118.700 -0.179 0.000 2.261 393 N HA 0.454 5.300 4.740 0.176 0.000 0.241 393 N C 0.051 175.657 175.510 0.159 0.000 1.374 393 N CA 0.465 53.457 53.050 -0.097 0.000 0.802 393 N CB 0.884 39.189 38.487 -0.303 0.000 1.339 393 N HN 0.642 nan 8.380 nan 0.000 0.498 394 A N -0.101 122.821 122.820 0.170 0.000 2.386 394 A HA 0.343 4.769 4.320 0.176 0.000 0.248 394 A C -0.036 177.690 177.584 0.236 0.000 1.082 394 A CA -0.045 52.180 52.037 0.314 0.000 0.789 394 A CB 0.263 19.381 19.000 0.197 0.000 1.025 394 A HN 0.280 nan 8.150 nan 0.000 0.490 395 D N -0.001 120.557 120.400 0.262 0.000 2.329 395 D HA 0.352 5.098 4.640 0.176 0.000 0.246 395 D C 0.131 176.483 176.300 0.087 0.000 1.111 395 D CA 0.192 54.231 54.000 0.066 0.000 0.941 395 D CB 0.797 41.585 40.800 -0.019 0.000 1.169 395 D HN 0.507 nan 8.370 nan 0.000 0.441 396 R N 1.828 122.349 120.500 0.036 0.000 2.360 396 R HA 0.452 4.898 4.340 0.176 0.000 0.318 396 R C -0.870 175.435 176.300 0.010 0.000 0.950 396 R CA -0.517 55.612 56.100 0.047 0.000 0.837 396 R CB 0.384 30.713 30.300 0.048 0.000 1.165 396 R HN 0.379 nan 8.270 nan 0.000 0.458 397 I N 3.503 124.094 120.570 0.035 0.000 2.359 397 I HA 0.244 4.520 4.170 0.176 0.000 0.294 397 I C -0.061 176.014 176.117 -0.069 0.000 0.987 397 I CA -0.624 60.638 61.300 -0.063 0.000 1.225 397 I CB 2.196 40.184 38.000 -0.020 0.000 1.366 397 I HN 0.530 nan 8.210 nan 0.000 0.466 398 T N 4.879 119.314 114.554 -0.199 0.000 2.767 398 T HA 0.406 4.862 4.350 0.176 0.000 0.284 398 T C -0.972 173.548 174.700 -0.301 0.000 0.973 398 T CA -0.323 61.711 62.100 -0.110 0.000 0.996 398 T CB 0.512 69.346 68.868 -0.056 0.000 0.927 398 T HN 0.315 nan 8.240 nan 0.000 0.456 399 W N 2.106 123.223 121.300 -0.304 0.000 2.799 399 W HA 0.660 5.426 4.660 0.177 0.000 0.349 399 W C -0.876 175.471 176.519 -0.287 0.000 1.100 399 W CA -1.031 56.092 57.345 -0.370 0.000 1.174 399 W CB 0.995 30.062 29.460 -0.654 0.000 1.427 399 W HN 0.181 nan 8.180 nan 0.000 0.547 400 L N 2.518 123.581 121.223 -0.267 0.000 2.322 400 L HA 0.420 4.866 4.340 0.176 0.000 0.281 400 L C -1.345 175.142 176.870 -0.638 0.000 1.014 400 L CA -1.094 53.376 54.840 -0.616 0.000 0.815 400 L CB 0.998 42.247 42.059 -1.350 0.000 1.247 400 L HN 0.596 nan 8.230 nan 0.000 0.421 401 Y N 3.297 123.374 120.300 -0.371 0.000 2.331 401 Y HA 0.321 4.977 4.550 0.177 0.000 0.326 401 Y C -0.698 175.180 175.900 -0.037 0.000 1.020 401 Y CA -0.732 57.280 58.100 -0.146 0.000 1.136 401 Y CB 1.436 39.921 38.460 0.043 0.000 1.157 401 Y HN 0.545 nan 8.280 nan 0.000 0.444 402 D N 4.846 124.930 120.400 -0.527 0.000 2.427 402 D HA 0.094 4.840 4.640 0.176 0.000 0.226 402 D C 0.436 176.317 176.300 -0.698 0.000 1.076 402 D CA 0.018 53.810 54.000 -0.346 0.000 0.849 402 D CB 1.061 41.913 40.800 0.088 0.000 1.052 402 D HN 0.884 nan 8.370 nan 0.000 0.515 403 N N 2.106 120.433 118.700 -0.621 0.000 2.166 403 N HA -0.219 4.627 4.740 0.176 0.000 0.186 403 N C 1.824 177.245 175.510 -0.149 0.000 1.019 403 N CA 2.381 55.220 53.050 -0.351 0.000 0.856 403 N CB 0.113 38.587 38.487 -0.022 0.000 0.993 403 N HN 0.488 nan 8.380 nan 0.000 0.426 404 T N -3.159 111.334 114.554 -0.102 0.000 2.699 404 T HA -0.197 4.259 4.350 0.176 0.000 0.268 404 T C 1.824 176.502 174.700 -0.037 0.000 1.036 404 T CA 2.134 64.208 62.100 -0.044 0.000 1.147 404 T CB -1.168 67.686 68.868 -0.024 0.000 0.862 404 T HN 0.389 nan 8.240 nan 0.000 0.446 405 T N -2.908 111.617 114.554 -0.050 0.000 3.040 405 T HA 0.483 4.939 4.350 0.176 0.000 0.250 405 T C 1.937 176.632 174.700 -0.008 0.000 1.058 405 T CA 0.703 62.791 62.100 -0.020 0.000 0.988 405 T CB -0.356 68.508 68.868 -0.006 0.000 0.993 405 T HN 1.020 nan 8.240 nan 0.000 0.519 406 G N 1.425 110.191 108.800 -0.056 0.000 2.196 406 G HA2 -0.329 3.737 3.960 0.176 0.000 0.268 406 G HA3 -0.329 3.737 3.960 0.176 0.000 0.268 406 G C 0.085 175.056 174.900 0.119 0.000 0.975 406 G CA 0.597 45.714 45.100 0.029 0.000 0.648 406 G HN 0.847 nan 8.290 nan 0.000 0.538 407 K N 0.736 121.197 120.400 0.101 0.000 2.249 407 K HA 0.563 4.989 4.320 0.176 0.000 0.280 407 K C 0.234 177.140 176.600 0.509 0.000 1.033 407 K CA -0.301 56.152 56.287 0.276 0.000 0.946 407 K CB 0.689 33.316 32.500 0.213 0.000 1.005 407 K HN 0.442 nan 8.250 nan 0.000 0.469 408 Q N 4.403 124.563 119.800 0.598 0.000 2.356 408 Q HA 0.593 5.039 4.340 0.176 0.000 0.270 408 Q C -1.822 174.659 176.000 0.802 0.000 1.058 408 Q CA -0.879 55.317 55.803 0.655 0.000 0.802 408 Q CB 1.108 30.132 28.738 0.478 0.000 1.303 408 Q HN 0.730 nan 8.270 nan 0.000 0.444 409 W N 2.473 124.051 121.300 0.464 0.000 3.405 409 W HA 0.460 5.226 4.660 0.177 0.000 0.329 409 W C -1.491 175.168 176.519 0.233 0.000 1.142 409 W CA -1.085 56.470 57.345 0.349 0.000 1.235 409 W CB 0.652 30.214 29.460 0.170 0.000 1.341 409 W HN 0.530 nan 8.180 nan 0.000 0.481 410 K N 2.695 123.103 120.400 0.013 0.000 2.524 410 K HA -0.095 4.331 4.320 0.176 0.000 0.279 410 K C 0.391 176.797 176.600 -0.324 0.000 0.993 410 K CA 0.986 56.833 56.287 -0.733 0.000 1.030 410 K CB 0.676 32.638 32.500 -0.897 0.000 0.891 410 K HN 0.775 nan 8.250 nan 0.000 0.488 411 N N 0.933 119.393 118.700 -0.401 0.000 2.591 411 N HA 0.007 4.853 4.740 0.176 0.000 0.200 411 N C -1.044 174.346 175.510 -0.200 0.000 1.040 411 N CA 0.578 53.507 53.050 -0.202 0.000 0.911 411 N CB 0.614 38.997 38.487 -0.174 0.000 1.259 411 N HN 0.582 nan 8.380 nan 0.000 0.438 412 S N -1.285 114.258 115.700 -0.262 0.000 2.611 412 S HA 0.625 5.201 4.470 0.176 0.000 0.268 412 S C -1.546 172.924 174.600 -0.216 0.000 1.156 412 S CA -0.910 57.170 58.200 -0.201 0.000 0.817 412 S CB 1.863 64.980 63.200 -0.138 0.000 1.122 412 S HN -0.084 nan 8.310 nan 0.000 0.466 413 V N 1.891 121.705 119.914 -0.166 0.000 2.577 413 V HA 0.600 4.825 4.120 0.176 0.000 0.303 413 V C -0.955 175.062 176.094 -0.129 0.000 1.042 413 V CA -0.643 61.571 62.300 -0.143 0.000 0.872 413 V CB 1.714 33.454 31.823 -0.138 0.000 0.998 413 V HN 0.935 nan 8.190 nan 0.000 0.423 414 N N 2.281 120.918 118.700 -0.105 0.000 2.417 414 N HA 0.268 5.113 4.740 0.176 0.000 0.274 414 N C 0.619 176.062 175.510 -0.112 0.000 0.987 414 N CA -0.008 52.976 53.050 -0.110 0.000 0.912 414 N CB 2.249 40.702 38.487 -0.057 0.000 1.177 414 N HN 0.743 nan 8.380 nan 0.000 0.490 415 S N 1.951 117.536 115.700 -0.192 0.000 2.557 415 S HA 0.178 4.754 4.470 0.176 0.000 0.223 415 S C 0.540 175.193 174.600 0.089 0.000 0.969 415 S CA -0.020 58.086 58.200 -0.157 0.000 0.927 415 S CB -0.230 62.810 63.200 -0.267 0.000 0.806 415 S HN 0.716 nan 8.310 nan 0.000 0.489 416 H N -0.754 118.269 119.070 -0.079 0.000 3.440 416 H HA 0.230 4.892 4.556 0.176 0.000 0.259 416 H C 1.881 177.177 175.328 -0.054 0.000 1.120 416 H CA 0.468 56.477 56.048 -0.065 0.000 1.191 416 H CB 0.629 30.354 29.762 -0.061 0.000 1.537 416 H HN 0.383 nan 8.280 nan 0.000 0.547 417 T N 0.749 115.349 114.554 0.077 0.000 2.821 417 T HA 0.020 4.476 4.350 0.176 0.000 0.267 417 T C 0.869 175.596 174.700 0.046 0.000 1.046 417 T CA 0.542 62.670 62.100 0.047 0.000 1.139 417 T CB -0.207 68.688 68.868 0.044 0.000 0.871 417 T HN 0.131 nan 8.240 nan 0.000 0.454 418 I N 1.233 121.833 120.570 0.050 0.000 2.474 418 I HA 0.400 4.676 4.170 0.176 0.000 0.287 418 I C 1.051 177.179 176.117 0.019 0.000 1.048 418 I CA 0.293 61.625 61.300 0.052 0.000 1.383 418 I CB 0.968 39.005 38.000 0.060 0.000 1.412 418 I HN 0.425 nan 8.210 nan 0.000 0.531 419 G N 5.491 114.305 108.800 0.023 0.000 2.734 419 G HA2 -0.193 3.873 3.960 0.176 0.000 0.277 419 G HA3 -0.193 3.873 3.960 0.176 0.000 0.277 419 G C -0.362 174.505 174.900 -0.055 0.000 1.099 419 G CA -0.676 44.413 45.100 -0.017 0.000 1.218 419 G HN 0.665 nan 8.290 nan 0.000 0.554 420 R N -0.538 119.943 120.500 -0.033 0.000 2.803 420 R HA 0.570 5.016 4.340 0.176 0.000 0.276 420 R C 0.419 176.695 176.300 -0.039 0.000 0.978 420 R CA -1.213 54.770 56.100 -0.195 0.000 0.939 420 R CB 1.227 31.312 30.300 -0.358 0.000 1.179 420 R HN 0.499 nan 8.270 nan 0.000 0.472 421 Y N 0.380 120.694 120.300 0.023 0.000 3.054 421 Y HA -0.251 4.405 4.550 0.176 0.000 0.210 421 Y C 0.172 176.114 175.900 0.070 0.000 1.212 421 Y CA -0.313 57.787 58.100 0.000 0.000 1.118 421 Y CB -1.693 36.698 38.460 -0.114 0.000 1.292 421 Y HN 0.483 nan 8.280 nan 0.000 0.533 422 I N 1.159 121.772 120.570 0.071 0.000 2.752 422 I HA -0.035 4.241 4.170 0.176 0.000 0.286 422 I C 0.593 176.659 176.117 -0.085 0.000 1.180 422 I CA 0.840 62.086 61.300 -0.090 0.000 1.404 422 I CB 0.277 38.149 38.000 -0.213 0.000 1.389 422 I HN 0.198 nan 8.210 nan 0.000 0.549 423 S N 4.089 119.708 115.700 -0.135 0.000 2.600 423 S HA 0.724 5.300 4.470 0.176 0.000 0.300 423 S C -0.241 174.277 174.600 -0.136 0.000 1.087 423 S CA -0.689 57.388 58.200 -0.205 0.000 0.965 423 S CB 2.450 65.403 63.200 -0.412 0.000 1.089 423 S HN 0.693 nan 8.310 nan 0.000 0.496 424 T N 0.912 115.411 114.554 -0.092 0.000 2.942 424 T HA 0.353 4.808 4.350 0.176 0.000 0.327 424 T C -1.386 173.455 174.700 0.235 0.000 1.360 424 T CA -0.765 61.386 62.100 0.085 0.000 1.055 424 T CB 1.145 69.978 68.868 -0.059 0.000 1.261 424 T HN 0.638 nan 8.240 nan 0.000 0.485 425 K N 2.531 123.149 120.400 0.364 0.000 2.489 425 K HA 0.495 4.921 4.320 0.176 0.000 0.278 425 K C 0.384 177.090 176.600 0.178 0.000 1.000 425 K CA -0.172 56.310 56.287 0.325 0.000 1.012 425 K CB 0.326 32.943 32.500 0.195 0.000 0.903 425 K HN 0.687 nan 8.250 nan 0.000 0.485 426 A N 3.433 126.334 122.820 0.136 0.000 2.406 426 A HA 0.191 4.617 4.320 0.176 0.000 0.243 426 A C -0.327 177.267 177.584 0.017 0.000 1.082 426 A CA -0.606 51.469 52.037 0.063 0.000 0.786 426 A CB 0.565 19.590 19.000 0.042 0.000 1.029 426 A HN 0.562 nan 8.150 nan 0.000 0.495 427 V N 1.727 121.617 119.914 -0.040 0.000 2.479 427 V HA 0.445 4.671 4.120 0.176 0.000 0.281 427 V C 1.534 177.577 176.094 -0.084 0.000 1.031 427 V CA 1.455 63.673 62.300 -0.137 0.000 1.038 427 V CB -0.043 31.655 31.823 -0.209 0.000 0.981 427 V HN 1.899 nan 8.190 nan 0.000 0.478 428 G N 3.989 112.742 108.800 -0.078 0.000 2.179 428 G HA2 -0.212 3.854 3.960 0.176 0.000 0.260 428 G HA3 -0.212 3.854 3.960 0.176 0.000 0.260 428 G C 0.211 175.102 174.900 -0.016 0.000 0.977 428 G CA 0.608 45.682 45.100 -0.044 0.000 0.641 428 G HN 1.530 nan 8.290 nan 0.000 0.533 429 S N -1.921 113.778 115.700 -0.003 0.000 2.672 429 S HA 0.634 5.210 4.470 0.176 0.000 0.271 429 S C 0.100 174.717 174.600 0.029 0.000 1.171 429 S CA -0.017 58.189 58.200 0.010 0.000 0.817 429 S CB 1.064 64.270 63.200 0.010 0.000 1.150 429 S HN 0.039 nan 8.310 nan 0.000 0.478 430 N N 0.737 119.455 118.700 0.030 0.000 2.270 430 N HA 0.368 5.214 4.740 0.176 0.000 0.198 430 N C 0.560 176.142 175.510 0.120 0.000 1.117 430 N CA 0.405 53.480 53.050 0.042 0.000 0.845 430 N CB 0.139 38.623 38.487 -0.005 0.000 0.980 430 N HN 0.824 nan 8.380 nan 0.000 0.486 431 A N 0.802 123.685 122.820 0.106 0.000 2.429 431 A HA 0.156 4.582 4.320 0.176 0.000 0.242 431 A C 0.669 178.374 177.584 0.203 0.000 1.088 431 A CA -0.216 51.891 52.037 0.116 0.000 0.784 431 A CB 0.406 19.432 19.000 0.044 0.000 1.038 431 A HN 0.253 nan 8.150 nan 0.000 0.501 432 R N 0.692 121.233 120.500 0.068 0.000 2.221 432 R HA 0.419 4.865 4.340 0.176 0.000 0.327 432 R C -0.737 175.434 176.300 -0.215 0.000 1.033 432 R CA -0.457 55.484 56.100 -0.264 0.000 0.887 432 R CB 0.508 30.412 30.300 -0.660 0.000 1.057 432 R HN 0.692 nan 8.270 nan 0.000 0.455 433 M N 4.617 124.110 119.600 -0.178 0.000 2.061 433 M HA 0.179 4.765 4.480 0.176 0.000 0.346 433 M C -1.061 175.156 176.300 -0.139 0.000 1.112 433 M CA -0.446 54.792 55.300 -0.103 0.000 1.021 433 M CB 1.117 33.701 32.600 -0.027 0.000 1.530 433 M HN 0.411 nan 8.290 nan 0.000 0.437 434 D N 4.554 124.890 120.400 -0.106 0.000 2.316 434 D HA 0.224 4.969 4.640 0.176 0.000 0.245 434 D C 0.137 176.421 176.300 -0.026 0.000 1.171 434 D CA 0.030 53.989 54.000 -0.068 0.000 0.856 434 D CB 0.959 41.742 40.800 -0.028 0.000 1.090 434 D HN 0.618 nan 8.370 nan 0.000 0.476 435 V N 1.587 121.494 119.914 -0.011 0.000 3.043 435 V HA 0.150 4.376 4.120 0.176 0.000 0.357 435 V C 1.456 177.618 176.094 0.112 0.000 1.372 435 V CA -0.337 61.986 62.300 0.039 0.000 1.214 435 V CB -0.011 31.836 31.823 0.040 0.000 1.224 435 V HN 0.372 nan 8.190 nan 0.000 0.507 436 T N 2.074 116.664 114.554 0.060 0.000 2.720 436 T HA -0.187 4.268 4.350 0.176 0.000 0.268 436 T C 1.594 176.336 174.700 0.070 0.000 1.037 436 T CA 2.323 64.458 62.100 0.058 0.000 1.144 436 T CB -0.382 68.481 68.868 -0.008 0.000 0.864 436 T HN 0.883 nan 8.240 nan 0.000 0.444 437 D N 1.061 121.475 120.400 0.024 0.000 2.350 437 D HA -0.101 4.645 4.640 0.176 0.000 0.216 437 D C 1.701 177.978 176.300 -0.040 0.000 0.968 437 D CA 0.684 54.672 54.000 -0.020 0.000 0.894 437 D CB -0.100 40.680 40.800 -0.034 0.000 0.909 437 D HN 0.209 nan 8.370 nan 0.000 0.520 438 K N -0.313 120.095 120.400 0.013 0.000 2.262 438 K HA -0.007 4.419 4.320 0.176 0.000 0.200 438 K C 1.482 178.025 176.600 -0.094 0.000 1.049 438 K CA 0.315 56.574 56.287 -0.046 0.000 0.979 438 K CB -0.238 32.239 32.500 -0.039 0.000 0.773 438 K HN 0.301 nan 8.250 nan 0.000 0.474 439 Y N 1.431 121.722 120.300 -0.016 0.000 2.510 439 Y HA 0.009 4.665 4.550 0.176 0.000 0.273 439 Y C 0.541 176.427 175.900 -0.023 0.000 1.119 439 Y CA 0.243 58.345 58.100 0.005 0.000 1.286 439 Y CB 0.497 38.974 38.460 0.028 0.000 1.061 439 Y HN -0.026 nan 8.280 nan 0.000 0.542 440 K N -2.755 117.693 120.400 0.081 0.000 2.685 440 K HA 0.215 4.640 4.320 0.176 0.000 0.290 440 K C -1.706 174.901 176.600 0.011 0.000 1.018 440 K CA -0.958 55.371 56.287 0.069 0.000 0.860 440 K CB 0.457 32.992 32.500 0.059 0.000 1.498 440 K HN -0.215 nan 8.250 nan 0.000 0.390 441 Y N 0.746 121.068 120.300 0.038 0.000 2.357 441 Y HA 0.194 4.850 4.550 0.176 0.000 0.340 441 Y C -1.925 173.962 175.900 -0.022 0.000 1.260 441 Y CA -1.315 56.796 58.100 0.018 0.000 1.425 441 Y CB 0.141 38.622 38.460 0.035 0.000 1.326 441 Y HN 0.427 nan 8.280 nan 0.000 0.580 442 P HA -0.057 nan 4.420 nan 0.000 0.264 442 P C -0.754 176.500 177.300 -0.077 0.000 1.183 442 P CA 0.200 63.300 63.100 0.001 0.000 0.763 442 P CB 0.446 32.153 31.700 0.011 0.000 0.807 443 E N 2.229 122.304 120.200 -0.209 0.000 2.366 443 E HA 0.232 4.687 4.350 0.176 0.000 0.266 443 E C 1.521 177.797 176.600 -0.540 0.000 1.015 443 E CA 1.035 57.111 56.400 -0.540 0.000 0.906 443 E CB -0.051 29.269 29.700 -0.634 0.000 0.979 443 E HN 0.780 nan 8.360 nan 0.000 0.443 444 G N 2.650 111.151 108.800 -0.499 0.000 2.179 444 G HA2 -0.268 3.798 3.960 0.176 0.000 0.220 444 G HA3 -0.268 3.798 3.960 0.176 0.000 0.220 444 G C 0.352 175.264 174.900 0.020 0.000 0.990 444 G CA 0.254 45.350 45.100 -0.007 0.000 0.646 444 G HN 0.655 nan 8.290 nan 0.000 0.517 445 S N 0.021 115.713 115.700 -0.012 0.000 2.616 445 S HA 0.594 5.170 4.470 0.176 0.000 0.277 445 S C 0.848 175.459 174.600 0.018 0.000 1.234 445 S CA 0.197 58.409 58.200 0.019 0.000 1.028 445 S CB 1.909 65.135 63.200 0.045 0.000 0.988 445 S HN 0.017 nan 8.310 nan 0.000 0.522 446 D N 1.550 121.955 120.400 0.008 0.000 2.178 446 D HA -0.106 4.640 4.640 0.176 0.000 0.201 446 D C 1.810 178.084 176.300 -0.044 0.000 0.980 446 D CA 1.400 55.397 54.000 -0.006 0.000 0.842 446 D CB -0.246 40.548 40.800 -0.010 0.000 0.948 446 D HN 0.646 nan 8.370 nan 0.000 0.472 447 Q N 0.696 120.440 119.800 -0.095 0.000 2.030 447 Q HA -0.194 4.252 4.340 0.176 0.000 0.204 447 Q C 2.056 177.901 176.000 -0.259 0.000 0.986 447 Q CA 1.802 57.429 55.803 -0.293 0.000 0.843 447 Q CB -0.337 28.094 28.738 -0.512 0.000 0.904 447 Q HN 0.450 nan 8.270 nan 0.000 0.420 448 E N 0.279 120.450 120.200 -0.048 0.000 2.153 448 E HA -0.219 4.237 4.350 0.176 0.000 0.194 448 E C 1.823 178.504 176.600 0.136 0.000 0.988 448 E CA 1.271 57.733 56.400 0.103 0.000 0.811 448 E CB -0.141 29.636 29.700 0.128 0.000 0.746 448 E HN 0.104 nan 8.360 nan 0.000 0.466 449 R N 0.410 120.957 120.500 0.078 0.000 2.115 449 R HA 0.031 4.477 4.340 0.176 0.000 0.226 449 R C 2.174 178.551 176.300 0.127 0.000 1.100 449 R CA 1.749 57.911 56.100 0.104 0.000 0.980 449 R CB -0.140 30.192 30.300 0.053 0.000 0.875 449 R HN 0.394 nan 8.270 nan 0.000 0.445 450 Q N -0.909 118.916 119.800 0.041 0.000 2.123 450 Q HA -0.072 4.374 4.340 0.176 0.000 0.199 450 Q C 1.959 177.983 176.000 0.041 0.000 0.966 450 Q CA 1.554 57.368 55.803 0.017 0.000 0.845 450 Q CB 0.111 28.814 28.738 -0.058 0.000 0.907 450 Q HN 0.155 nan 8.270 nan 0.000 0.439 451 V N 0.531 120.475 119.914 0.050 0.000 2.358 451 V HA -0.238 3.987 4.120 0.176 0.000 0.246 451 V C 1.888 178.092 176.094 0.183 0.000 1.047 451 V CA 1.682 64.049 62.300 0.112 0.000 1.035 451 V CB -0.609 31.340 31.823 0.210 0.000 0.658 451 V HN 0.301 nan 8.190 nan 0.000 0.452 452 F N 0.816 120.868 119.950 0.170 0.000 2.095 452 F HA -0.289 4.344 4.527 0.177 0.000 0.298 452 F C 2.668 178.496 175.800 0.047 0.000 1.104 452 F CA 2.481 60.600 58.000 0.198 0.000 1.232 452 F CB -0.288 38.833 39.000 0.203 0.000 0.987 452 F HN 0.116 nan 8.300 nan 0.000 0.475 453 Q N 0.532 120.477 119.800 0.241 0.000 2.096 453 Q HA -0.290 4.156 4.340 0.176 0.000 0.204 453 Q C 2.417 178.391 176.000 -0.043 0.000 0.982 453 Q CA 2.116 57.980 55.803 0.102 0.000 0.850 453 Q CB -0.321 28.486 28.738 0.115 0.000 0.901 453 Q HN 0.498 nan 8.270 nan 0.000 0.422 454 K N -0.329 120.044 120.400 -0.046 0.000 2.032 454 K HA -0.192 4.234 4.320 0.176 0.000 0.209 454 K C 1.949 178.438 176.600 -0.185 0.000 1.048 454 K CA 1.365 57.598 56.287 -0.089 0.000 0.927 454 K CB -0.285 32.178 32.500 -0.061 0.000 0.712 454 K HN 0.261 nan 8.250 nan 0.000 0.441 455 A N 1.324 123.954 122.820 -0.317 0.000 1.877 455 A HA -0.150 4.276 4.320 0.176 0.000 0.216 455 A C 2.075 179.407 177.584 -0.420 0.000 1.186 455 A CA 1.377 53.104 52.037 -0.516 0.000 0.620 455 A CB -0.670 17.674 19.000 -1.094 0.000 0.822 455 A HN 0.399 nan 8.150 nan 0.000 0.443 456 L N 0.250 121.218 121.223 -0.426 0.000 2.017 456 L HA -0.031 4.415 4.340 0.176 0.000 0.208 456 L C 2.445 179.207 176.870 -0.181 0.000 1.073 456 L CA 2.319 56.967 54.840 -0.319 0.000 0.745 456 L CB -1.230 40.642 42.059 -0.313 0.000 0.894 456 L HN 0.323 nan 8.230 nan 0.000 0.432 457 G N -0.736 107.979 108.800 -0.142 0.000 2.469 457 G HA2 -0.321 3.744 3.960 0.176 0.000 0.220 457 G HA3 -0.321 3.744 3.960 0.176 0.000 0.220 457 G C 1.704 176.546 174.900 -0.097 0.000 1.136 457 G CA 1.073 46.118 45.100 -0.091 0.000 0.759 457 G HN 0.443 nan 8.290 nan 0.000 0.562 458 K N -0.261 120.062 120.400 -0.128 0.000 2.097 458 K HA 0.135 4.560 4.320 0.176 0.000 0.205 458 K C 2.376 178.910 176.600 -0.110 0.000 1.050 458 K CA 0.624 56.840 56.287 -0.118 0.000 0.938 458 K CB -0.187 32.227 32.500 -0.144 0.000 0.718 458 K HN 0.283 nan 8.250 nan 0.000 0.442 459 L N 0.015 121.161 121.223 -0.129 0.000 2.341 459 L HA -0.015 4.431 4.340 0.176 0.000 0.214 459 L C 0.718 177.544 176.870 -0.073 0.000 1.115 459 L CA 0.559 55.337 54.840 -0.102 0.000 0.820 459 L CB 0.070 42.058 42.059 -0.119 0.000 0.944 459 L HN -0.018 nan 8.230 nan 0.000 0.452 481 S N 0.634 116.332 115.700 -0.003 0.000 2.382 481 S HA 0.020 4.596 4.470 0.176 0.000 0.228 481 S C 1.143 175.743 174.600 0.000 0.000 1.027 481 S CA 0.570 58.770 58.200 -0.001 0.000 0.991 481 S CB -0.099 63.102 63.200 0.001 0.000 0.823 481 S HN 0.417 nan 8.310 nan 0.000 0.469 482 I N 2.880 123.450 120.570 0.000 0.000 2.353 482 I HA 0.394 4.670 4.170 0.176 0.000 0.293 482 I C -0.102 176.014 176.117 -0.002 0.000 0.992 482 I CA -0.757 60.544 61.300 0.002 0.000 1.268 482 I CB 0.846 38.849 38.000 0.004 0.000 1.387 482 I HN 0.177 nan 8.210 nan 0.000 0.478 483 I N 2.494 123.064 120.570 -0.000 0.000 2.509 483 I HA 0.948 5.224 4.170 0.176 0.000 0.293 483 I C 0.028 176.146 176.117 0.002 0.000 1.020 483 I CA -0.502 60.797 61.300 -0.003 0.000 1.088 483 I CB 2.168 40.166 38.000 -0.003 0.000 1.267 483 I HN 0.540 nan 8.210 nan 0.000 0.430 484 G N 3.819 112.619 108.800 -0.001 0.000 2.642 484 G HA2 0.682 4.748 3.960 0.176 0.000 0.293 484 G HA3 0.682 4.748 3.960 0.176 0.000 0.293 484 G C -1.866 173.039 174.900 0.007 0.000 1.341 484 G CA -0.857 44.247 45.100 0.007 0.000 0.916 484 G HN 0.801 nan 8.290 nan 0.000 0.474 485 K N 0.443 120.854 120.400 0.017 0.000 2.557 485 K HA 0.420 4.846 4.320 0.176 0.000 0.257 485 K C -1.565 175.052 176.600 0.029 0.000 0.933 485 K CA -0.705 55.594 56.287 0.019 0.000 0.820 485 K CB 2.076 34.586 32.500 0.017 0.000 1.330 485 K HN 0.374 nan 8.250 nan 0.000 0.432 486 L N 4.359 125.601 121.223 0.031 0.000 2.264 486 L HA 0.465 4.910 4.340 0.176 0.000 0.289 486 L C -0.310 176.577 176.870 0.029 0.000 1.044 486 L CA -0.514 54.348 54.840 0.037 0.000 0.807 486 L CB 1.250 43.336 42.059 0.044 0.000 1.192 486 L HN 0.441 nan 8.230 nan 0.000 0.425 487 K N 2.892 123.306 120.400 0.024 0.000 2.259 487 K HA 0.559 4.985 4.320 0.176 0.000 0.249 487 K C -1.079 175.526 176.600 0.009 0.000 0.942 487 K CA -0.910 55.386 56.287 0.016 0.000 0.816 487 K CB 2.955 35.463 32.500 0.014 0.000 1.155 487 K HN 0.190 nan 8.250 nan 0.000 0.428 488 V N 1.736 121.653 119.914 0.005 0.000 2.498 488 V HA 0.322 4.548 4.120 0.176 0.000 0.279 488 V C -0.112 175.979 176.094 -0.003 0.000 1.048 488 V CA -0.515 61.784 62.300 -0.001 0.000 0.967 488 V CB 1.174 32.997 31.823 0.000 0.000 0.988 488 V HN 0.880 nan 8.190 nan 0.000 0.473 489 A N 4.382 127.197 122.820 -0.008 0.000 2.285 489 A HA 0.825 5.251 4.320 0.176 0.000 0.310 489 A C 0.488 178.069 177.584 -0.005 0.000 1.266 489 A CA 0.188 52.221 52.037 -0.007 0.000 0.832 489 A CB 0.381 19.375 19.000 -0.010 0.000 1.163 489 A HN 1.940 nan 8.150 nan 0.000 0.499 490 G N 1.743 110.541 108.800 -0.004 0.000 2.829 490 G HA2 -0.079 3.987 3.960 0.176 0.000 0.628 490 G HA3 -0.079 3.987 3.960 0.176 0.000 0.628 490 G C 0.061 174.961 174.900 0.001 0.000 1.412 490 G CA -0.247 44.852 45.100 -0.002 0.000 0.864 490 G HN 1.010 nan 8.290 nan 0.000 0.544 491 M N -0.302 119.300 119.600 0.003 0.000 2.245 491 M HA 0.227 4.813 4.480 0.176 0.000 0.335 491 M C 0.533 176.842 176.300 0.015 0.000 1.155 491 M CA 0.873 56.177 55.300 0.006 0.000 1.055 491 M CB 0.087 32.690 32.600 0.006 0.000 1.670 491 M HN 0.361 nan 8.290 nan 0.000 0.447 492 L N 3.069 124.301 121.223 0.014 0.000 2.342 492 L HA 0.746 5.192 4.340 0.176 0.000 0.276 492 L C -0.603 176.284 176.870 0.029 0.000 0.997 492 L CA -0.551 54.299 54.840 0.016 0.000 0.838 492 L CB 1.308 43.366 42.059 -0.000 0.000 1.224 492 L HN 0.843 nan 8.230 nan 0.000 0.416 493 A N 2.953 125.810 122.820 0.061 0.000 2.547 493 A HA 0.639 5.065 4.320 0.176 0.000 0.297 493 A C -0.777 176.915 177.584 0.180 0.000 1.056 493 A CA -0.536 51.554 52.037 0.089 0.000 0.688 493 A CB 1.731 20.767 19.000 0.060 0.000 1.282 493 A HN 0.237 nan 8.150 nan 0.000 0.400 494 V N 2.180 122.242 119.914 0.246 0.000 2.475 494 V HA 0.414 4.640 4.120 0.176 0.000 0.292 494 V C 1.494 177.836 176.094 0.412 0.000 1.003 494 V CA 2.109 64.678 62.300 0.449 0.000 1.120 494 V CB -0.121 32.045 31.823 0.571 0.000 0.937 494 V HN 2.173 nan 8.190 nan 0.000 0.476 495 G N 4.645 113.644 108.800 0.332 0.000 2.481 495 G HA2 -0.153 3.913 3.960 0.176 0.000 0.200 495 G HA3 -0.153 3.913 3.960 0.176 0.000 0.200 495 G C 0.211 175.056 174.900 -0.092 0.000 1.012 495 G CA -0.285 44.657 45.100 -0.264 0.000 0.676 495 G HN 0.570 nan 8.290 nan 0.000 0.488 496 K N 1.535 122.027 120.400 0.154 0.000 2.095 496 K HA 0.528 4.954 4.320 0.176 0.000 0.252 496 K C 0.440 177.208 176.600 0.280 0.000 0.977 496 K CA -0.345 56.029 56.287 0.145 0.000 0.900 496 K CB 1.259 33.819 32.500 0.100 0.000 1.060 496 K HN 0.578 nan 8.250 nan 0.000 0.449 497 E N 0.304 120.622 120.200 0.197 0.000 2.373 497 E HA 0.154 4.610 4.350 0.176 0.000 0.263 497 E C -0.824 175.890 176.600 0.190 0.000 1.073 497 E CA -0.745 55.791 56.400 0.227 0.000 0.894 497 E CB 0.862 30.634 29.700 0.120 0.000 1.008 497 E HN 0.032 nan 8.360 nan 0.000 0.420 498 V N 3.072 123.098 119.914 0.188 0.000 2.407 498 V HA 0.203 4.429 4.120 0.176 0.000 0.278 498 V C -0.405 175.679 176.094 -0.017 0.000 1.037 498 V CA -0.695 61.640 62.300 0.058 0.000 0.900 498 V CB 0.938 32.766 31.823 0.007 0.000 0.983 498 V HN 0.666 nan 8.190 nan 0.000 0.459 499 N N 5.754 124.438 118.700 -0.026 0.000 2.399 499 N HA 0.682 5.528 4.740 0.176 0.000 0.280 499 N C -1.057 174.421 175.510 -0.052 0.000 1.008 499 N CA -0.327 52.694 53.050 -0.048 0.000 0.894 499 N CB 2.510 40.984 38.487 -0.022 0.000 1.273 499 N HN 0.461 nan 8.380 nan 0.000 0.486 500 L N 0.663 121.840 121.223 -0.077 0.000 2.277 500 L HA 0.737 5.182 4.340 0.176 0.000 0.254 500 L C -0.603 176.250 176.870 -0.029 0.000 1.044 500 L CA -1.083 53.727 54.840 -0.050 0.000 0.842 500 L CB 2.210 44.229 42.059 -0.067 0.000 1.422 500 L HN 0.025 nan 8.230 nan 0.000 0.422 501 V N 1.738 121.654 119.914 0.004 0.000 2.612 501 V HA 0.312 4.538 4.120 0.176 0.000 0.301 501 V C -1.010 175.119 176.094 0.059 0.000 1.059 501 V CA -0.405 61.913 62.300 0.031 0.000 0.886 501 V CB 2.177 34.012 31.823 0.019 0.000 1.007 501 V HN 0.444 nan 8.190 nan 0.000 0.426 502 L N 6.019 127.306 121.223 0.106 0.000 2.260 502 L HA 0.546 4.991 4.340 0.176 0.000 0.289 502 L C -0.635 176.287 176.870 0.088 0.000 1.057 502 L CA 0.320 55.222 54.840 0.103 0.000 0.811 502 L CB 0.764 42.907 42.059 0.141 0.000 1.184 502 L HN 0.643 nan 8.230 nan 0.000 0.429 503 L N 6.042 127.299 121.223 0.058 0.000 2.265 503 L HA 0.459 4.905 4.340 0.176 0.000 0.289 503 L C -1.075 175.819 176.870 0.039 0.000 1.033 503 L CA -0.505 54.363 54.840 0.046 0.000 0.814 503 L CB 1.099 43.178 42.059 0.033 0.000 1.203 503 L HN 0.509 nan 8.230 nan 0.000 0.423 504 L N 4.602 125.849 121.223 0.040 0.000 2.333 504 L HA 0.598 5.044 4.340 0.176 0.000 0.269 504 L C -0.439 176.446 176.870 0.025 0.000 1.010 504 L CA -0.584 54.274 54.840 0.030 0.000 0.818 504 L CB 1.855 43.934 42.059 0.034 0.000 1.306 504 L HN 0.545 nan 8.230 nan 0.000 0.430 505 K N 1.536 121.946 120.400 0.018 0.000 2.498 505 K HA 0.307 4.733 4.320 0.176 0.000 0.254 505 K C -0.993 175.614 176.600 0.011 0.000 0.933 505 K CA -0.523 55.772 56.287 0.014 0.000 0.806 505 K CB 2.236 34.743 32.500 0.012 0.000 1.301 505 K HN 0.697 nan 8.250 nan 0.000 0.432 506 N N 5.195 123.901 118.700 0.011 0.000 2.439 506 N HA 0.186 5.032 4.740 0.176 0.000 0.249 506 N C 0.071 175.584 175.510 0.006 0.000 1.003 506 N CA -0.289 52.766 53.050 0.008 0.000 0.942 506 N CB 0.594 39.087 38.487 0.010 0.000 1.115 506 N HN 0.511 nan 8.380 nan 0.000 0.505 507 L N 2.338 123.563 121.223 0.003 0.000 2.653 507 L HA 0.118 4.564 4.340 0.176 0.000 0.231 507 L C 0.775 177.645 176.870 0.001 0.000 1.153 507 L CA -0.191 54.650 54.840 0.001 0.000 0.933 507 L CB -0.356 41.703 42.059 -0.001 0.000 1.175 507 L HN 0.481 nan 8.230 nan 0.000 0.473 508 S N -0.385 115.316 115.700 0.001 0.000 2.722 508 S HA 0.292 4.868 4.470 0.176 0.000 0.292 508 S C 1.105 175.705 174.600 0.001 0.000 1.135 508 S CA -0.878 57.323 58.200 0.001 0.000 1.003 508 S CB 1.584 64.784 63.200 0.001 0.000 1.067 508 S HN 0.298 nan 8.310 nan 0.000 0.546 509 R N 0.233 120.733 120.500 0.001 0.000 2.310 509 R HA 0.171 4.617 4.340 0.176 0.000 0.202 509 R C -1.256 175.046 176.300 0.002 0.000 0.933 509 R CA 0.247 56.348 56.100 0.001 0.000 1.054 509 R CB -0.867 29.434 30.300 0.000 0.000 0.985 509 R HN 0.557 nan 8.270 nan 0.000 0.489 510 D N 1.268 121.669 120.400 0.002 0.000 2.362 510 D HA 0.222 4.968 4.640 0.176 0.000 0.247 510 D C -0.751 175.552 176.300 0.004 0.000 1.050 510 D CA -0.384 53.617 54.000 0.002 0.000 0.839 510 D CB 2.063 42.864 40.800 0.001 0.000 1.283 510 D HN -0.125 nan 8.370 nan 0.000 0.477 511 T N 3.042 117.599 114.554 0.005 0.000 2.934 511 T HA 0.086 4.542 4.350 0.176 0.000 0.306 511 T C 0.321 175.025 174.700 0.006 0.000 1.042 511 T CA 0.137 62.241 62.100 0.006 0.000 1.145 511 T CB 0.380 69.252 68.868 0.007 0.000 0.982 511 T HN 0.004 nan 8.240 nan 0.000 0.544 512 K N 2.410 122.815 120.400 0.008 0.000 2.318 512 K HA 0.466 4.892 4.320 0.176 0.000 0.249 512 K C -0.491 176.115 176.600 0.010 0.000 0.942 512 K CA -0.721 55.570 56.287 0.008 0.000 0.808 512 K CB 2.256 34.761 32.500 0.008 0.000 1.189 512 K HN 0.433 nan 8.250 nan 0.000 0.428 513 T N 1.027 115.586 114.554 0.010 0.000 2.788 513 T HA 0.244 4.700 4.350 0.176 0.000 0.296 513 T C -0.664 174.043 174.700 0.011 0.000 1.009 513 T CA -0.539 61.568 62.100 0.011 0.000 0.949 513 T CB 1.070 69.944 68.868 0.010 0.000 0.946 513 T HN 0.272 nan 8.240 nan 0.000 0.453 514 V N 4.402 124.324 119.914 0.013 0.000 2.417 514 V HA 0.562 4.788 4.120 0.176 0.000 0.291 514 V C -0.160 175.940 176.094 0.010 0.000 1.024 514 V CA -0.267 62.041 62.300 0.012 0.000 0.861 514 V CB 1.694 33.524 31.823 0.013 0.000 0.985 514 V HN 0.904 nan 8.190 nan 0.000 0.436 515 T N 6.694 121.253 114.554 0.009 0.000 2.744 515 T HA 0.506 4.962 4.350 0.176 0.000 0.291 515 T C -0.409 174.289 174.700 -0.003 0.000 0.957 515 T CA -0.169 61.933 62.100 0.004 0.000 1.002 515 T CB 1.053 69.926 68.868 0.009 0.000 0.919 515 T HN 0.544 nan 8.240 nan 0.000 0.468 516 V N 5.186 125.087 119.914 -0.022 0.000 2.357 516 V HA 0.379 4.605 4.120 0.176 0.000 0.284 516 V C -0.041 176.022 176.094 -0.051 0.000 1.018 516 V CA -1.008 61.269 62.300 -0.038 0.000 0.841 516 V CB 1.194 32.976 31.823 -0.068 0.000 0.991 516 V HN 0.838 nan 8.190 nan 0.000 0.437 517 N N 5.396 124.083 118.700 -0.022 0.000 2.408 517 N HA 0.769 5.615 4.740 0.176 0.000 0.280 517 N C -0.811 174.704 175.510 0.009 0.000 1.002 517 N CA -0.556 52.484 53.050 -0.018 0.000 0.907 517 N CB 1.674 40.167 38.487 0.010 0.000 1.161 517 N HN 0.566 nan 8.380 nan 0.000 0.488 518 M N 0.808 120.404 119.600 -0.007 0.000 2.644 518 M HA 0.553 5.139 4.480 0.176 0.000 0.304 518 M C -0.404 175.945 176.300 0.082 0.000 1.215 518 M CA -0.736 54.625 55.300 0.101 0.000 0.871 518 M CB 2.438 35.180 32.600 0.236 0.000 1.740 518 M HN 0.540 nan 8.290 nan 0.000 0.464 519 T N -1.204 113.530 114.554 0.299 0.000 2.821 519 T HA 0.907 5.363 4.350 0.176 0.000 0.306 519 T C -1.738 173.297 174.700 0.558 0.000 1.313 519 T CA -0.909 61.403 62.100 0.353 0.000 1.012 519 T CB 1.934 71.041 68.868 0.399 0.000 1.298 519 T HN 0.958 nan 8.240 nan 0.000 0.502 520 A N 0.730 123.869 122.820 0.532 0.000 2.402 520 A HA 0.693 5.119 4.320 0.176 0.000 0.291 520 A C -1.961 175.818 177.584 0.325 0.000 1.051 520 A CA -0.877 51.436 52.037 0.460 0.000 0.716 520 A CB 0.813 20.072 19.000 0.432 0.000 1.223 520 A HN 0.717 nan 8.150 nan 0.000 0.425 521 W N 1.415 122.823 121.300 0.181 0.000 2.702 521 W HA 0.562 5.328 4.660 0.176 0.000 0.331 521 W C 0.532 177.135 176.519 0.141 0.000 1.049 521 W CA -0.103 57.327 57.345 0.142 0.000 1.230 521 W CB 2.134 31.650 29.460 0.093 0.000 1.408 521 W HN 0.777 nan 8.180 nan 0.000 0.492 522 T N 1.752 116.513 114.554 0.344 0.000 2.907 522 T HA 0.703 5.159 4.350 0.176 0.000 0.298 522 T C -0.161 174.718 174.700 0.298 0.000 1.017 522 T CA -0.390 61.880 62.100 0.283 0.000 1.118 522 T CB 0.728 69.759 68.868 0.271 0.000 0.948 522 T HN 0.434 nan 8.240 nan 0.000 0.531 523 I N -0.917 119.793 120.570 0.234 0.000 3.264 523 I HA 0.670 4.946 4.170 0.176 0.000 0.315 523 I C -1.111 175.109 176.117 0.173 0.000 1.154 523 I CA -1.869 59.543 61.300 0.187 0.000 0.962 523 I CB 1.780 39.866 38.000 0.143 0.000 1.265 523 I HN 0.376 nan 8.210 nan 0.000 0.463 524 I N 1.980 122.621 120.570 0.118 0.000 2.566 524 I HA 0.140 4.416 4.170 0.176 0.000 0.303 524 I C 0.919 177.082 176.117 0.076 0.000 0.983 524 I CA -0.374 61.013 61.300 0.145 0.000 1.235 524 I CB 1.262 39.315 38.000 0.089 0.000 1.386 524 I HN 0.925 nan 8.210 nan 0.000 0.494 525 Y N 3.856 124.207 120.300 0.086 0.000 2.365 525 Y HA -0.250 4.406 4.550 0.176 0.000 0.287 525 Y C 1.581 177.383 175.900 -0.164 0.000 1.162 525 Y CA 1.738 59.852 58.100 0.022 0.000 1.260 525 Y CB -0.900 37.585 38.460 0.041 0.000 0.976 525 Y HN 0.728 nan 8.280 nan 0.000 0.548 526 N N -0.527 117.490 118.700 -1.139 0.000 2.467 526 N HA 0.182 5.028 4.740 0.176 0.000 0.184 526 N C 1.512 176.545 175.510 -0.795 0.000 1.106 526 N CA 0.543 52.666 53.050 -1.545 0.000 0.892 526 N CB 0.163 37.118 38.487 -2.552 0.000 0.969 526 N HN 0.510 nan 8.380 nan 0.000 0.454 527 G N -0.516 108.046 108.800 -0.396 0.000 2.229 527 G HA2 -0.231 3.835 3.960 0.176 0.000 0.189 527 G HA3 -0.231 3.835 3.960 0.176 0.000 0.189 527 G C 0.015 174.814 174.900 -0.168 0.000 1.000 527 G CA -0.028 44.955 45.100 -0.196 0.000 0.663 527 G HN 0.330 nan 8.290 nan 0.000 0.493 528 T N 2.598 117.031 114.554 -0.202 0.000 2.871 528 T HA 0.392 4.848 4.350 0.176 0.000 0.296 528 T C 0.880 175.561 174.700 -0.032 0.000 0.998 528 T CA 0.302 62.332 62.100 -0.117 0.000 1.162 528 T CB 0.638 69.457 68.868 -0.082 0.000 0.947 528 T HN 0.340 nan 8.240 nan 0.000 0.536 529 L N 4.344 125.541 121.223 -0.044 0.000 2.331 529 L HA 0.210 4.656 4.340 0.176 0.000 0.278 529 L C 1.276 178.257 176.870 0.185 0.000 1.106 529 L CA -0.488 54.376 54.840 0.040 0.000 0.824 529 L CB 0.807 42.736 42.059 -0.216 0.000 1.142 529 L HN 0.516 nan 8.230 nan 0.000 0.443 530 V N 1.664 121.769 119.914 0.319 0.000 2.602 530 V HA 0.165 4.391 4.120 0.176 0.000 0.235 530 V C 0.216 176.513 176.094 0.338 0.000 1.087 530 V CA 0.523 62.998 62.300 0.292 0.000 1.117 530 V CB 0.034 32.017 31.823 0.266 0.000 0.820 530 V HN 0.745 nan 8.190 nan 0.000 0.490 531 H N -0.213 118.956 119.070 0.166 0.000 3.068 531 H HA 0.271 4.933 4.556 0.176 0.000 0.342 531 H C -1.259 173.606 175.328 -0.772 0.000 1.284 531 H CA -0.579 55.250 56.048 -0.364 0.000 1.181 531 H CB 2.049 31.388 29.762 -0.705 0.000 1.898 531 H HN 0.397 nan 8.280 nan 0.000 0.540 532 E N 2.342 121.713 120.200 -1.381 0.000 2.316 532 E HA 0.271 4.727 4.350 0.176 0.000 0.275 532 E C 0.217 176.623 176.600 -0.324 0.000 1.029 532 E CA -0.191 55.447 56.400 -1.269 0.000 0.871 532 E CB 0.811 29.753 29.700 -1.263 0.000 1.022 532 E HN 0.407 nan 8.360 nan 0.000 0.418 533 V N 1.835 121.674 119.914 -0.124 0.000 3.604 533 V HA 0.417 4.643 4.120 0.176 0.000 0.277 533 V C -0.111 176.123 176.094 0.234 0.000 1.399 533 V CA -0.390 61.976 62.300 0.109 0.000 1.034 533 V CB -0.496 31.461 31.823 0.224 0.000 0.824 533 V HN 0.701 nan 8.190 nan 0.000 0.439 534 W N 1.760 123.040 121.300 -0.034 0.000 3.419 534 W HA 0.629 5.394 4.660 0.176 0.000 0.298 534 W C -1.833 174.697 176.519 0.019 0.000 1.260 534 W CA -0.630 56.726 57.345 0.019 0.000 1.199 534 W CB 1.385 30.889 29.460 0.073 0.000 1.349 534 W HN 0.208 nan 8.180 nan 0.000 0.557 535 K N 3.525 123.342 120.400 -0.971 0.000 2.568 535 K HA 0.731 5.156 4.320 0.176 0.000 0.273 535 K C -2.180 173.663 176.600 -1.263 0.000 0.951 535 K CA -0.851 54.882 56.287 -0.923 0.000 0.854 535 K CB 2.518 34.798 32.500 -0.367 0.000 1.424 535 K HN 0.319 nan 8.250 nan 0.000 0.427 536 D N -0.173 119.697 120.400 -0.883 0.000 2.720 536 D HA 0.403 5.149 4.640 0.176 0.000 0.239 536 D C -1.666 174.483 176.300 -0.252 0.000 1.218 536 D CA -0.148 53.542 54.000 -0.518 0.000 0.748 536 D CB 2.617 43.144 40.800 -0.455 0.000 1.387 536 D HN 0.561 nan 8.370 nan 0.000 0.438 537 S N -0.061 115.555 115.700 -0.139 0.000 2.599 537 S HA 1.042 5.618 4.470 0.176 0.000 0.294 537 S C -1.198 173.363 174.600 -0.065 0.000 1.094 537 S CA -0.387 57.755 58.200 -0.096 0.000 0.931 537 S CB 1.791 64.954 63.200 -0.061 0.000 1.093 537 S HN 0.732 nan 8.310 nan 0.000 0.488 538 A N 1.265 124.042 122.820 -0.072 0.000 2.594 538 A HA 0.748 5.174 4.320 0.176 0.000 0.296 538 A C -1.023 176.555 177.584 -0.011 0.000 1.061 538 A CA -0.693 51.330 52.037 -0.024 0.000 0.689 538 A CB 1.401 20.375 19.000 -0.043 0.000 1.280 538 A HN 0.558 nan 8.150 nan 0.000 0.406 539 T N 2.286 116.852 114.554 0.020 0.000 2.807 539 T HA 0.698 5.154 4.350 0.176 0.000 0.279 539 T C -0.313 174.407 174.700 0.034 0.000 0.993 539 T CA -0.143 61.969 62.100 0.020 0.000 0.970 539 T CB 0.929 69.808 68.868 0.018 0.000 0.950 539 T HN 0.585 nan 8.240 nan 0.000 0.441 540 M N 1.715 121.333 119.600 0.030 0.000 2.591 540 M HA 0.498 5.084 4.480 0.176 0.000 0.306 540 M C -0.270 176.047 176.300 0.028 0.000 1.190 540 M CA -0.881 54.442 55.300 0.037 0.000 0.889 540 M CB 2.512 35.139 32.600 0.045 0.000 1.728 540 M HN 0.514 nan 8.290 nan 0.000 0.458 541 S N 3.039 118.756 115.700 0.028 0.000 2.461 541 S HA 0.661 5.237 4.470 0.176 0.000 0.322 541 S C -1.186 173.427 174.600 0.021 0.000 1.063 541 S CA -0.655 57.557 58.200 0.022 0.000 1.120 541 S CB 0.083 63.295 63.200 0.020 0.000 0.968 541 S HN 0.593 nan 8.310 nan 0.000 0.467 542 L N 4.785 126.020 121.223 0.019 0.000 2.319 542 L HA 0.518 4.963 4.340 0.176 0.000 0.281 542 L C -0.164 176.714 176.870 0.013 0.000 1.005 542 L CA -0.952 53.899 54.840 0.018 0.000 0.828 542 L CB 1.521 43.592 42.059 0.018 0.000 1.227 542 L HN 0.525 nan 8.230 nan 0.000 0.415 543 D N 3.787 124.194 120.400 0.013 0.000 2.377 543 D HA 0.218 4.963 4.640 0.176 0.000 0.245 543 D C -2.303 174.002 176.300 0.009 0.000 1.196 543 D CA -1.295 52.711 54.000 0.010 0.000 0.962 543 D CB 0.642 41.448 40.800 0.009 0.000 1.127 543 D HN 0.185 nan 8.370 nan 0.000 0.471 544 P HA -0.010 nan 4.420 nan 0.000 0.261 544 P C 0.152 177.456 177.300 0.006 0.000 1.183 544 P CA 0.841 63.944 63.100 0.006 0.000 0.761 544 P CB 0.431 32.134 31.700 0.004 0.000 0.785 545 E N 0.015 120.219 120.200 0.006 0.000 4.071 545 E HA -0.258 4.198 4.350 0.176 0.000 0.355 545 E C 0.169 176.774 176.600 0.009 0.000 0.653 545 E CA 1.306 57.710 56.400 0.007 0.000 1.298 545 E CB -1.696 28.007 29.700 0.006 0.000 1.712 545 E HN 0.681 nan 8.360 nan 0.000 0.416 546 E N 0.897 121.103 120.200 0.010 0.000 2.414 546 E HA 0.074 4.530 4.350 0.176 0.000 0.263 546 E C -0.512 176.098 176.600 0.015 0.000 1.000 546 E CA 0.359 56.767 56.400 0.013 0.000 0.914 546 E CB 0.452 30.161 29.700 0.014 0.000 0.948 546 E HN 0.148 nan 8.360 nan 0.000 0.444 547 E N 1.659 121.869 120.200 0.017 0.000 2.171 547 E HA 0.594 5.050 4.350 0.176 0.000 0.271 547 E C -1.181 175.434 176.600 0.025 0.000 0.916 547 E CA -0.867 55.545 56.400 0.020 0.000 0.774 547 E CB 1.956 31.666 29.700 0.017 0.000 1.128 547 E HN 0.518 nan 8.360 nan 0.000 0.403 548 A N 2.882 125.721 122.820 0.033 0.000 2.527 548 A HA 0.646 5.072 4.320 0.176 0.000 0.293 548 A C -1.307 176.310 177.584 0.055 0.000 1.117 548 A CA -0.834 51.228 52.037 0.042 0.000 0.723 548 A CB 1.538 20.566 19.000 0.048 0.000 1.313 548 A HN 0.697 nan 8.150 nan 0.000 0.411 549 E N 0.841 121.080 120.200 0.065 0.000 2.331 549 E HA 0.501 4.957 4.350 0.176 0.000 0.275 549 E C -1.586 175.086 176.600 0.121 0.000 0.895 549 E CA -0.780 55.670 56.400 0.084 0.000 0.753 549 E CB 1.913 31.645 29.700 0.053 0.000 1.216 549 E HN 0.646 nan 8.360 nan 0.000 0.434 550 H N 3.111 122.211 119.070 0.050 0.000 2.646 550 H HA 0.340 5.001 4.556 0.176 0.000 0.328 550 H C -2.615 172.754 175.328 0.068 0.000 0.998 550 H CA -2.082 54.008 56.048 0.069 0.000 1.225 550 H CB 1.964 31.782 29.762 0.092 0.000 1.457 550 H HN 0.431 nan 8.280 nan 0.000 0.505 551 P HA 0.198 nan 4.420 nan 0.000 0.275 551 P C -0.346 176.899 177.300 -0.091 0.000 1.227 551 P CA -0.222 62.802 63.100 -0.127 0.000 0.781 551 P CB 1.606 33.227 31.700 -0.133 0.000 0.906 552 I N 2.864 123.392 120.570 -0.069 0.000 2.411 552 I HA 0.338 4.614 4.170 0.176 0.000 0.284 552 I C 0.495 176.418 176.117 -0.324 0.000 1.012 552 I CA -0.589 60.565 61.300 -0.244 0.000 1.119 552 I CB 1.708 39.482 38.000 -0.377 0.000 1.261 552 I HN 0.222 nan 8.210 nan 0.000 0.448 553 K N 8.192 128.406 120.400 -0.310 0.000 2.358 553 K HA 0.652 5.078 4.320 0.176 0.000 0.260 553 K C -1.375 175.068 176.600 -0.262 0.000 0.956 553 K CA -0.488 55.681 56.287 -0.198 0.000 0.834 553 K CB 1.389 33.862 32.500 -0.045 0.000 1.102 553 K HN 0.586 nan 8.250 nan 0.000 0.431 554 I N 4.011 124.473 120.570 -0.181 0.000 2.411 554 I HA 0.118 4.394 4.170 0.176 0.000 0.284 554 I C 0.252 176.452 176.117 0.137 0.000 1.012 554 I CA -0.832 60.444 61.300 -0.040 0.000 1.119 554 I CB 1.831 39.814 38.000 -0.029 0.000 1.261 554 I HN 0.653 nan 8.210 nan 0.000 0.448 555 S N 4.863 120.623 115.700 0.100 0.000 2.593 555 S HA 0.057 4.632 4.470 0.176 0.000 0.269 555 S C 1.045 175.566 174.600 -0.131 0.000 1.334 555 S CA -0.152 58.081 58.200 0.055 0.000 1.015 555 S CB 0.860 64.076 63.200 0.028 0.000 0.912 555 S HN 0.634 nan 8.310 nan 0.000 0.541 556 Y N 2.392 122.490 120.300 -0.337 0.000 2.165 556 Y HA -0.081 4.574 4.550 0.176 0.000 0.286 556 Y C 2.453 177.948 175.900 -0.675 0.000 1.155 556 Y CA 1.895 59.499 58.100 -0.827 0.000 1.164 556 Y CB -1.157 37.098 38.460 -0.342 0.000 0.978 556 Y HN 0.837 nan 8.280 nan 0.000 0.513 557 A N 0.091 122.661 122.820 -0.416 0.000 1.978 557 A HA -0.251 4.174 4.320 0.176 0.000 0.220 557 A C 2.096 179.479 177.584 -0.336 0.000 1.170 557 A CA 2.004 53.813 52.037 -0.379 0.000 0.636 557 A CB -0.638 18.279 19.000 -0.139 0.000 0.810 557 A HN 0.709 nan 8.150 nan 0.000 0.448 558 Q N -2.005 117.650 119.800 -0.241 0.000 2.187 558 Q HA -0.096 4.349 4.340 0.176 0.000 0.199 558 Q C 1.834 177.824 176.000 -0.017 0.000 0.957 558 Q CA 1.616 57.378 55.803 -0.068 0.000 0.857 558 Q CB -0.167 28.618 28.738 0.078 0.000 0.929 558 Q HN 1.038 nan 8.270 nan 0.000 0.453 559 Y N -0.264 120.013 120.300 -0.038 0.000 2.524 559 Y HA 0.185 4.840 4.550 0.176 0.000 0.270 559 Y C 1.748 177.589 175.900 -0.098 0.000 1.094 559 Y CA 0.461 58.561 58.100 0.000 0.000 1.276 559 Y CB -0.540 37.955 38.460 0.058 0.000 1.130 559 Y HN 0.031 nan 8.280 nan 0.000 0.536 560 E N 1.920 121.844 120.200 -0.461 0.000 2.114 560 E HA -0.321 4.135 4.350 0.176 0.000 0.199 560 E C 2.091 178.528 176.600 -0.271 0.000 1.008 560 E CA 2.114 58.260 56.400 -0.425 0.000 0.810 560 E CB -0.450 28.497 29.700 -1.256 0.000 0.739 560 E HN 0.491 nan 8.360 nan 0.000 0.456 561 R N -0.739 119.529 120.500 -0.387 0.000 2.120 561 R HA -0.102 4.344 4.340 0.176 0.000 0.234 561 R C 1.083 176.979 176.300 -0.672 0.000 1.123 561 R CA 1.542 57.300 56.100 -0.570 0.000 0.975 561 R CB -0.214 29.605 30.300 -0.802 0.000 0.866 561 R HN 0.427 nan 8.270 nan 0.000 0.446 562 Y N -0.951 119.305 120.300 -0.073 0.000 2.481 562 Y HA 0.239 4.894 4.550 0.176 0.000 0.247 562 Y C -0.182 175.762 175.900 0.073 0.000 1.151 562 Y CA -0.913 57.173 58.100 -0.024 0.000 1.238 562 Y CB 0.583 39.002 38.460 -0.068 0.000 1.179 562 Y HN -0.001 nan 8.280 nan 0.000 0.524 563 L N 1.865 123.200 121.223 0.187 0.000 2.380 563 L HA 0.263 4.709 4.340 0.176 0.000 0.273 563 L C -0.227 176.743 176.870 0.166 0.000 1.138 563 L CA -0.047 54.914 54.840 0.201 0.000 0.832 563 L CB 0.344 42.547 42.059 0.241 0.000 1.124 563 L HN -0.110 nan 8.230 nan 0.000 0.454 564 K N 1.651 122.162 120.400 0.186 0.000 2.288 564 K HA 0.357 4.782 4.320 0.176 0.000 0.234 564 K C 1.212 177.938 176.600 0.209 0.000 1.037 564 K CA 0.182 56.586 56.287 0.195 0.000 0.914 564 K CB 1.323 33.955 32.500 0.221 0.000 1.197 564 K HN 0.682 nan 8.250 nan 0.000 0.471 565 S N -0.541 115.296 115.700 0.230 0.000 2.465 565 S HA -0.164 4.412 4.470 0.176 0.000 0.241 565 S C 0.789 175.515 174.600 0.210 0.000 1.000 565 S CA 1.719 60.045 58.200 0.209 0.000 0.964 565 S CB -0.356 62.960 63.200 0.195 0.000 0.763 565 S HN 0.516 nan 8.310 nan 0.000 0.512 566 D N 1.916 122.464 120.400 0.247 0.000 2.219 566 D HA 0.015 4.761 4.640 0.176 0.000 0.205 566 D C 0.311 176.733 176.300 0.203 0.000 0.970 566 D CA 0.711 54.864 54.000 0.256 0.000 0.851 566 D CB -0.389 40.604 40.800 0.320 0.000 0.943 566 D HN 0.270 nan 8.370 nan 0.000 0.488 567 N N -0.377 118.433 118.700 0.183 0.000 2.725 567 N HA -0.153 4.693 4.740 0.176 0.000 0.249 567 N C -0.915 174.665 175.510 0.117 0.000 1.103 567 N CA 0.682 53.816 53.050 0.140 0.000 0.707 567 N CB -0.760 37.806 38.487 0.132 0.000 1.043 567 N HN 0.255 nan 8.380 nan 0.000 0.553 568 M N 0.348 120.038 119.600 0.150 0.000 2.472 568 M HA 0.545 5.130 4.480 0.176 0.000 0.331 568 M C 0.344 176.725 176.300 0.135 0.000 1.170 568 M CA -0.390 55.000 55.300 0.150 0.000 1.009 568 M CB 1.633 34.354 32.600 0.202 0.000 1.672 568 M HN -0.011 nan 8.290 nan 0.000 0.453 569 I N 1.497 122.140 120.570 0.122 0.000 2.569 569 I HA 0.404 4.680 4.170 0.176 0.000 0.290 569 I C -0.438 175.779 176.117 0.167 0.000 1.088 569 I CA -0.804 60.580 61.300 0.141 0.000 1.047 569 I CB 2.739 40.784 38.000 0.074 0.000 1.237 569 I HN 0.609 nan 8.210 nan 0.000 0.421 570 R N 6.572 127.207 120.500 0.225 0.000 2.207 570 R HA 0.542 4.987 4.340 0.176 0.000 0.334 570 R C -1.135 175.325 176.300 0.267 0.000 1.013 570 R CA -0.341 55.895 56.100 0.227 0.000 0.858 570 R CB 0.547 30.978 30.300 0.218 0.000 1.094 570 R HN 0.427 nan 8.270 nan 0.000 0.457 571 I N 4.264 124.964 120.570 0.216 0.000 2.336 571 I HA 0.357 4.633 4.170 0.176 0.000 0.292 571 I C -0.250 175.997 176.117 0.215 0.000 0.991 571 I CA -0.426 61.008 61.300 0.223 0.000 1.227 571 I CB 1.491 39.575 38.000 0.140 0.000 1.366 571 I HN 0.640 nan 8.210 nan 0.000 0.466 572 T N 4.710 119.416 114.554 0.254 0.000 2.893 572 T HA 0.763 5.219 4.350 0.176 0.000 0.293 572 T C -0.463 174.323 174.700 0.142 0.000 1.027 572 T CA -0.667 61.537 62.100 0.173 0.000 0.988 572 T CB 2.339 71.348 68.868 0.234 0.000 1.043 572 T HN 0.705 nan 8.240 nan 0.000 0.461 573 A N 2.259 125.104 122.820 0.042 0.000 2.411 573 A HA 0.684 5.110 4.320 0.176 0.000 0.285 573 A C -0.722 176.844 177.584 -0.029 0.000 1.129 573 A CA -0.605 51.453 52.037 0.036 0.000 0.736 573 A CB 0.883 19.911 19.000 0.048 0.000 1.186 573 A HN 0.673 nan 8.150 nan 0.000 0.445 574 V N 2.384 122.289 119.914 -0.015 0.000 2.348 574 V HA 0.265 4.491 4.120 0.176 0.000 0.270 574 V C -0.157 175.936 176.094 -0.003 0.000 1.037 574 V CA -0.406 61.878 62.300 -0.027 0.000 0.872 574 V CB 0.476 32.300 31.823 0.002 0.000 1.002 574 V HN 0.942 nan 8.190 nan 0.000 0.464 575 C N 5.177 124.474 119.300 -0.006 0.000 2.329 575 C HA 0.791 5.357 4.460 0.176 0.000 0.329 575 C C 0.120 175.121 174.990 0.018 0.000 1.275 575 C CA -1.028 57.993 59.018 0.004 0.000 1.726 575 C CB 0.869 28.608 27.740 -0.001 0.000 2.291 575 C HN 0.859 nan 8.230 nan 0.000 0.514 576 K N 1.820 122.235 120.400 0.024 0.000 2.427 576 K HA 0.789 5.215 4.320 0.176 0.000 0.252 576 K C -1.516 175.097 176.600 0.021 0.000 0.931 576 K CA -0.306 56.001 56.287 0.033 0.000 0.793 576 K CB 1.402 33.931 32.500 0.048 0.000 1.211 576 K HN 0.505 nan 8.250 nan 0.000 0.426 577 V N 5.732 125.657 119.914 0.019 0.000 2.680 577 V HA 0.523 4.749 4.120 0.176 0.000 0.309 577 V C -2.298 173.801 176.094 0.008 0.000 1.052 577 V CA -2.438 59.869 62.300 0.012 0.000 0.908 577 V CB 2.062 33.891 31.823 0.009 0.000 1.001 577 V HN 0.792 nan 8.190 nan 0.000 0.431 578 P HA 0.113 nan 4.420 nan 0.000 0.261 578 P C -0.075 177.222 177.300 -0.006 0.000 1.183 578 P CA 0.695 63.794 63.100 -0.002 0.000 0.761 578 P CB 0.153 31.851 31.700 -0.003 0.000 0.785 579 D N -0.077 120.316 120.400 -0.012 0.000 2.911 579 D HA -0.157 4.589 4.640 0.176 0.000 0.199 579 D C -0.116 176.177 176.300 -0.011 0.000 1.041 579 D CA 1.254 55.245 54.000 -0.016 0.000 1.013 579 D CB -0.889 39.903 40.800 -0.014 0.000 1.093 579 D HN 0.541 nan 8.370 nan 0.000 0.431 580 E N -0.112 120.086 120.200 -0.003 0.000 2.277 580 E HA 0.499 4.955 4.350 0.176 0.000 0.266 580 E C -0.426 176.187 176.600 0.020 0.000 0.901 580 E CA -0.592 55.811 56.400 0.005 0.000 0.782 580 E CB 1.627 31.330 29.700 0.006 0.000 1.228 580 E HN -0.124 nan 8.360 nan 0.000 0.424 581 S N 1.742 117.461 115.700 0.030 0.000 2.579 581 S HA 0.037 4.613 4.470 0.176 0.000 0.275 581 S C -0.135 174.511 174.600 0.075 0.000 1.345 581 S CA -0.388 57.855 58.200 0.071 0.000 1.031 581 S CB 0.397 63.638 63.200 0.070 0.000 0.892 581 S HN 0.344 nan 8.310 nan 0.000 0.529 582 E N 0.740 121.017 120.200 0.127 0.000 2.418 582 E HA 0.212 4.668 4.350 0.176 0.000 0.261 582 E C -0.757 175.860 176.600 0.028 0.000 1.070 582 E CA 0.091 56.543 56.400 0.087 0.000 0.931 582 E CB 0.359 30.133 29.700 0.123 0.000 0.954 582 E HN 0.239 nan 8.360 nan 0.000 0.439 583 V N 3.200 123.115 119.914 0.001 0.000 2.378 583 V HA 0.222 4.448 4.120 0.176 0.000 0.288 583 V C -0.655 175.403 176.094 -0.060 0.000 1.016 583 V CA -0.802 61.481 62.300 -0.028 0.000 0.840 583 V CB 1.544 33.357 31.823 -0.018 0.000 0.994 583 V HN 0.386 nan 8.190 nan 0.000 0.431 584 V N 6.169 126.019 119.914 -0.106 0.000 2.383 584 V HA 0.422 4.648 4.120 0.176 0.000 0.275 584 V C -0.021 175.980 176.094 -0.155 0.000 1.036 584 V CA -0.537 61.650 62.300 -0.189 0.000 0.889 584 V CB 1.584 33.209 31.823 -0.331 0.000 0.985 584 V HN 0.577 nan 8.190 nan 0.000 0.459 585 V N 5.115 124.954 119.914 -0.125 0.000 2.384 585 V HA 0.473 4.698 4.120 0.176 0.000 0.287 585 V C -0.046 176.010 176.094 -0.063 0.000 1.020 585 V CA -0.586 61.674 62.300 -0.067 0.000 0.850 585 V CB 1.346 33.157 31.823 -0.020 0.000 0.987 585 V HN 0.957 nan 8.190 nan 0.000 0.436 586 E N 3.642 123.821 120.200 -0.036 0.000 2.244 586 E HA 0.881 5.337 4.350 0.176 0.000 0.266 586 E C -0.704 175.932 176.600 0.060 0.000 0.914 586 E CA -1.132 55.279 56.400 0.019 0.000 0.794 586 E CB 2.545 32.267 29.700 0.037 0.000 1.210 586 E HN 0.476 nan 8.360 nan 0.000 0.414 587 R N 1.458 122.015 120.500 0.095 0.000 2.868 587 R HA 0.216 4.662 4.340 0.176 0.000 0.262 587 R C -2.296 174.074 176.300 0.116 0.000 1.163 587 R CA -0.355 55.801 56.100 0.093 0.000 1.105 587 R CB 0.780 31.123 30.300 0.071 0.000 1.270 587 R HN 0.410 nan 8.270 nan 0.000 0.437 588 D N 4.635 125.108 120.400 0.122 0.000 2.280 588 D HA 0.391 5.137 4.640 0.176 0.000 0.236 588 D C -0.085 176.283 176.300 0.114 0.000 1.082 588 D CA -0.178 53.904 54.000 0.135 0.000 0.834 588 D CB 1.030 41.928 40.800 0.162 0.000 1.100 588 D HN 0.502 nan 8.370 nan 0.000 0.486 589 I N -0.497 120.132 120.570 0.097 0.000 2.648 589 I HA 0.620 4.895 4.170 0.176 0.000 0.304 589 I C -0.763 175.397 176.117 0.072 0.000 1.009 589 I CA -1.025 60.316 61.300 0.068 0.000 1.114 589 I CB 2.266 40.287 38.000 0.034 0.000 1.293 589 I HN 0.232 nan 8.210 nan 0.000 0.449 590 I N 5.370 125.977 120.570 0.062 0.000 2.447 590 I HA 0.383 4.659 4.170 0.176 0.000 0.287 590 I C -1.385 174.753 176.117 0.036 0.000 1.023 590 I CA -0.879 60.462 61.300 0.068 0.000 1.083 590 I CB 1.577 39.636 38.000 0.099 0.000 1.245 590 I HN 0.523 nan 8.210 nan 0.000 0.434 591 L N 7.378 128.614 121.223 0.023 0.000 2.331 591 L HA 0.334 4.780 4.340 0.176 0.000 0.278 591 L C 0.074 176.976 176.870 0.054 0.000 1.106 591 L CA 0.027 54.878 54.840 0.018 0.000 0.824 591 L CB 0.340 42.384 42.059 -0.024 0.000 1.142 591 L HN 0.492 nan 8.230 nan 0.000 0.443 592 D N 2.089 122.516 120.400 0.046 0.000 2.372 592 D HA 0.090 4.836 4.640 0.176 0.000 0.243 592 D C 0.089 176.429 176.300 0.066 0.000 1.121 592 D CA -0.050 53.975 54.000 0.042 0.000 0.898 592 D CB 0.658 41.468 40.800 0.017 0.000 1.202 592 D HN 0.384 nan 8.370 nan 0.000 0.428 593 N N 1.471 120.204 118.700 0.055 0.000 2.483 593 N HA 0.251 5.097 4.740 0.176 0.000 0.269 593 N C -2.167 173.326 175.510 -0.028 0.000 1.209 593 N CA -0.925 52.155 53.050 0.050 0.000 0.969 593 N CB 0.530 39.048 38.487 0.051 0.000 1.173 593 N HN 0.195 nan 8.380 nan 0.000 0.475 594 P HA 0.049 nan 4.420 nan 0.000 0.270 594 P C -0.422 176.851 177.300 -0.044 0.000 1.223 594 P CA -0.018 62.995 63.100 -0.144 0.000 0.785 594 P CB 0.238 31.746 31.700 -0.321 0.000 0.923 595 T N 1.790 116.309 114.554 -0.059 0.000 2.930 595 T HA 0.246 4.702 4.350 0.176 0.000 0.306 595 T C 0.146 174.878 174.700 0.053 0.000 1.045 595 T CA 0.271 62.358 62.100 -0.022 0.000 1.134 595 T CB -0.036 68.798 68.868 -0.057 0.000 0.961 595 T HN 0.277 nan 8.240 nan 0.000 0.545 596 L N 3.356 124.612 121.223 0.055 0.000 2.385 596 L HA 0.620 5.066 4.340 0.176 0.000 0.273 596 L C -0.483 176.396 176.870 0.015 0.000 0.990 596 L CA -0.049 54.833 54.840 0.070 0.000 0.821 596 L CB 2.112 44.192 42.059 0.036 0.000 1.279 596 L HN 0.647 nan 8.230 nan 0.000 0.412 597 T N 5.417 119.973 114.554 0.003 0.000 2.876 597 T HA 0.653 5.109 4.350 0.176 0.000 0.289 597 T C -0.751 173.951 174.700 0.002 0.000 1.014 597 T CA -0.478 61.618 62.100 -0.008 0.000 0.986 597 T CB 1.525 70.377 68.868 -0.027 0.000 1.021 597 T HN 0.466 nan 8.240 nan 0.000 0.458 598 L N 2.285 123.511 121.223 0.005 0.000 2.346 598 L HA 0.618 5.063 4.340 0.176 0.000 0.276 598 L C -0.208 176.650 176.870 -0.021 0.000 1.006 598 L CA -0.699 54.150 54.840 0.015 0.000 0.817 598 L CB 1.921 44.010 42.059 0.050 0.000 1.272 598 L HN 0.622 nan 8.230 nan 0.000 0.421 599 E N 2.088 122.255 120.200 -0.054 0.000 2.275 599 E HA 0.410 4.866 4.350 0.176 0.000 0.270 599 E C -1.427 175.113 176.600 -0.100 0.000 0.882 599 E CA -0.708 55.652 56.400 -0.067 0.000 0.758 599 E CB 3.195 32.855 29.700 -0.066 0.000 1.195 599 E HN 0.168 nan 8.360 nan 0.000 0.419 600 V N 3.632 123.499 119.914 -0.078 0.000 2.465 600 V HA 0.087 4.313 4.120 0.176 0.000 0.279 600 V C 0.398 176.444 176.094 -0.079 0.000 1.045 600 V CA -0.450 61.798 62.300 -0.087 0.000 0.938 600 V CB 1.145 32.935 31.823 -0.056 0.000 0.986 600 V HN 0.639 nan 8.190 nan 0.000 0.467 601 L N 5.195 126.363 121.223 -0.091 0.000 2.629 601 L HA 0.324 4.770 4.340 0.176 0.000 0.230 601 L C 0.674 177.512 176.870 -0.053 0.000 1.151 601 L CA 0.468 55.264 54.840 -0.073 0.000 0.924 601 L CB -1.895 40.115 42.059 -0.083 0.000 1.137 601 L HN 1.019 nan 8.230 nan 0.000 0.457 602 N N -3.178 115.493 118.700 -0.047 0.000 3.356 602 N HA 0.097 4.943 4.740 0.176 0.000 0.246 602 N C -0.901 174.592 175.510 -0.028 0.000 1.480 602 N CA -0.919 52.111 53.050 -0.034 0.000 0.877 602 N CB 1.203 39.672 38.487 -0.031 0.000 1.431 602 N HN -0.062 nan 8.380 nan 0.000 0.500 603 E N -0.098 120.090 120.200 -0.021 0.000 2.398 603 E HA 0.358 4.814 4.350 0.176 0.000 0.263 603 E C -0.806 175.786 176.600 -0.013 0.000 1.046 603 E CA -0.400 55.991 56.400 -0.015 0.000 0.908 603 E CB 0.715 30.408 29.700 -0.012 0.000 0.963 603 E HN 0.546 nan 8.360 nan 0.000 0.431 604 A N 5.038 127.852 122.820 -0.009 0.000 2.260 604 A HA 0.446 4.872 4.320 0.176 0.000 0.314 604 A C -0.422 177.162 177.584 -0.001 0.000 1.257 604 A CA -0.494 51.540 52.037 -0.005 0.000 0.871 604 A CB 0.725 19.723 19.000 -0.003 0.000 1.166 604 A HN 0.679 nan 8.150 nan 0.000 0.522 605 R N 2.692 123.193 120.500 0.001 0.000 2.686 605 R HA 0.543 4.989 4.340 0.176 0.000 0.283 605 R C -1.031 175.274 176.300 0.007 0.000 0.978 605 R CA -0.546 55.556 56.100 0.004 0.000 0.897 605 R CB 1.883 32.185 30.300 0.002 0.000 1.192 605 R HN 0.628 nan 8.270 nan 0.000 0.457 606 V N 5.045 124.964 119.914 0.009 0.000 2.788 606 V HA -0.007 4.219 4.120 0.176 0.000 0.307 606 V C 0.576 176.677 176.094 0.012 0.000 1.069 606 V CA 0.968 63.275 62.300 0.011 0.000 1.173 606 V CB 0.027 31.856 31.823 0.010 0.000 0.925 606 V HN 1.026 nan 8.190 nan 0.000 0.492 607 R N 1.158 121.667 120.500 0.015 0.000 4.000 607 R HA -0.186 4.260 4.340 0.176 0.000 0.348 607 R C -0.185 176.123 176.300 0.014 0.000 1.204 607 R CA 1.142 57.251 56.100 0.015 0.000 0.987 607 R CB -1.284 29.024 30.300 0.014 0.000 1.446 607 R HN 0.563 nan 8.270 nan 0.000 0.555 608 K N 0.821 121.228 120.400 0.012 0.000 2.394 608 K HA 0.356 4.782 4.320 0.176 0.000 0.260 608 K C -2.592 174.013 176.600 0.009 0.000 0.967 608 K CA -2.455 53.838 56.287 0.009 0.000 0.855 608 K CB 1.426 33.930 32.500 0.005 0.000 1.101 608 K HN -0.247 nan 8.250 nan 0.000 0.433 609 P HA -0.017 nan 4.420 nan 0.000 0.265 609 P C -1.100 176.199 177.300 -0.001 0.000 1.193 609 P CA -0.368 62.738 63.100 0.011 0.000 0.765 609 P CB 0.581 32.288 31.700 0.012 0.000 0.823 610 V N 0.336 120.247 119.914 -0.005 0.000 2.638 610 V HA 0.448 4.674 4.120 0.176 0.000 0.306 610 V C -0.378 175.683 176.094 -0.055 0.000 1.052 610 V CA -0.980 61.304 62.300 -0.026 0.000 0.885 610 V CB 1.801 33.610 31.823 -0.024 0.000 0.999 610 V HN 0.443 nan 8.190 nan 0.000 0.424 611 N N 2.296 120.948 118.700 -0.080 0.000 2.514 611 N HA 0.609 5.455 4.740 0.176 0.000 0.277 611 N C -0.867 174.512 175.510 -0.219 0.000 1.126 611 N CA -0.342 52.626 53.050 -0.137 0.000 0.978 611 N CB 1.449 39.873 38.487 -0.105 0.000 1.106 611 N HN 0.657 nan 8.380 nan 0.000 0.461 612 V N 2.134 121.796 119.914 -0.420 0.000 3.001 612 V HA 0.396 4.622 4.120 0.176 0.000 0.314 612 V C -0.695 174.995 176.094 -0.673 0.000 1.099 612 V CA -0.769 61.199 62.300 -0.554 0.000 0.989 612 V CB 1.925 33.300 31.823 -0.746 0.000 1.040 612 V HN 0.760 nan 8.190 nan 0.000 0.434 613 Q N 2.844 122.388 119.800 -0.427 0.000 2.345 613 Q HA 0.679 5.125 4.340 0.176 0.000 0.275 613 Q C -1.353 174.584 176.000 -0.105 0.000 1.063 613 Q CA -0.757 54.891 55.803 -0.260 0.000 0.819 613 Q CB 2.788 31.438 28.738 -0.147 0.000 1.356 613 Q HN 0.706 nan 8.270 nan 0.000 0.418 614 M N 4.508 124.122 119.600 0.025 0.000 2.238 614 M HA 0.486 5.072 4.480 0.176 0.000 0.350 614 M C -2.069 174.236 176.300 0.008 0.000 1.138 614 M CA -0.714 54.630 55.300 0.073 0.000 1.040 614 M CB 0.962 33.666 32.600 0.174 0.000 1.639 614 M HN 0.857 nan 8.290 nan 0.000 0.451 615 L N 5.818 127.032 121.223 -0.016 0.000 2.362 615 L HA 0.648 5.094 4.340 0.176 0.000 0.275 615 L C -1.379 175.477 176.870 -0.023 0.000 0.998 615 L CA -0.675 54.144 54.840 -0.036 0.000 0.820 615 L CB 2.059 44.088 42.059 -0.051 0.000 1.270 615 L HN 0.716 nan 8.230 nan 0.000 0.415 616 F N 1.513 121.322 119.950 -0.236 0.000 2.588 616 F HA 0.551 5.184 4.527 0.177 0.000 0.314 616 F C -0.899 174.776 175.800 -0.208 0.000 1.134 616 F CA -0.281 57.538 58.000 -0.300 0.000 0.961 616 F CB 2.144 40.792 39.000 -0.587 0.000 1.239 616 F HN 0.312 nan 8.300 nan 0.000 0.448 617 S N 4.328 119.357 115.700 -1.120 0.000 2.449 617 S HA 0.299 4.875 4.470 0.176 0.000 0.310 617 S C -0.894 173.033 174.600 -1.122 0.000 1.096 617 S CA -0.682 57.026 58.200 -0.819 0.000 1.095 617 S CB 1.072 64.003 63.200 -0.448 0.000 1.007 617 S HN 0.624 nan 8.310 nan 0.000 0.474 618 N N 4.131 122.475 118.700 -0.593 0.000 2.411 618 N HA 0.235 5.081 4.740 0.176 0.000 0.259 618 N C -1.529 173.897 175.510 -0.140 0.000 1.103 618 N CA -1.934 50.981 53.050 -0.225 0.000 0.954 618 N CB 0.996 39.531 38.487 0.080 0.000 1.085 618 N HN 0.264 nan 8.380 nan 0.000 0.485 619 P HA 0.041 nan 4.420 nan 0.000 0.251 619 P C 0.106 177.394 177.300 -0.019 0.000 1.223 619 P CA 0.349 63.407 63.100 -0.070 0.000 0.796 619 P CB 0.569 32.218 31.700 -0.085 0.000 1.068 620 L N 0.261 121.513 121.223 0.049 0.000 2.456 620 L HA 0.223 4.669 4.340 0.176 0.000 0.257 620 L C 1.380 178.250 176.870 -0.000 0.000 1.162 620 L CA -0.353 54.483 54.840 -0.007 0.000 0.808 620 L CB 0.155 42.231 42.059 0.030 0.000 1.136 620 L HN -0.286 nan 8.230 nan 0.000 0.466 621 D N -0.199 120.194 120.400 -0.011 0.000 2.340 621 D HA -0.005 4.741 4.640 0.176 0.000 0.220 621 D C 0.364 176.679 176.300 0.025 0.000 1.039 621 D CA 0.449 54.453 54.000 0.007 0.000 0.866 621 D CB 0.317 41.122 40.800 0.008 0.000 0.913 621 D HN 0.589 nan 8.370 nan 0.000 0.523 622 E N 0.464 120.687 120.200 0.039 0.000 2.336 622 E HA 0.467 4.923 4.350 0.176 0.000 0.267 622 E C -2.923 173.716 176.600 0.066 0.000 0.906 622 E CA -2.115 54.312 56.400 0.046 0.000 0.781 622 E CB 2.707 32.434 29.700 0.046 0.000 1.261 622 E HN -0.233 nan 8.360 nan 0.000 0.436 623 P HA 0.062 nan 4.420 nan 0.000 0.274 623 P C -0.187 177.179 177.300 0.109 0.000 1.246 623 P CA -0.457 62.697 63.100 0.091 0.000 0.795 623 P CB 1.103 32.845 31.700 0.070 0.000 1.006 624 V N -0.478 119.536 119.914 0.166 0.000 2.581 624 V HA 0.752 4.978 4.120 0.176 0.000 0.303 624 V C 0.178 176.351 176.094 0.131 0.000 1.041 624 V CA -0.849 61.555 62.300 0.173 0.000 0.907 624 V CB 1.383 33.409 31.823 0.339 0.000 0.994 624 V HN 0.721 nan 8.190 nan 0.000 0.442 625 R N 1.289 121.828 120.500 0.066 0.000 2.950 625 R HA 0.650 5.096 4.340 0.176 0.000 0.253 625 R C -0.876 175.414 176.300 -0.017 0.000 1.168 625 R CA -0.583 55.537 56.100 0.034 0.000 1.014 625 R CB 0.695 31.007 30.300 0.019 0.000 1.228 625 R HN 0.610 nan 8.270 nan 0.000 0.487 626 D N -0.407 119.976 120.400 -0.029 0.000 2.689 626 D HA -0.140 4.606 4.640 0.176 0.000 0.237 626 D C -0.652 175.564 176.300 -0.139 0.000 1.148 626 D CA 0.571 54.530 54.000 -0.068 0.000 0.656 626 D CB -1.652 39.107 40.800 -0.068 0.000 1.050 626 D HN 0.493 nan 8.370 nan 0.000 0.426 627 C N 0.512 119.730 119.300 -0.137 0.000 2.499 627 C HA 0.491 5.057 4.460 0.176 0.000 0.386 627 C C 1.013 175.824 174.990 -0.297 0.000 1.293 627 C CA -0.792 58.031 59.018 -0.326 0.000 1.884 627 C CB 0.642 28.335 27.740 -0.078 0.000 2.509 627 C HN 0.171 nan 8.230 nan 0.000 0.566 628 V N 5.422 125.053 119.914 -0.472 0.000 2.588 628 V HA 0.443 4.669 4.120 0.176 0.000 0.304 628 V C -0.303 175.631 176.094 -0.267 0.000 1.042 628 V CA -0.467 61.670 62.300 -0.271 0.000 0.877 628 V CB 1.769 33.462 31.823 -0.217 0.000 0.996 628 V HN 0.789 nan 8.190 nan 0.000 0.425 629 L N 5.957 127.143 121.223 -0.063 0.000 2.287 629 L HA 0.613 5.059 4.340 0.176 0.000 0.287 629 L C -1.002 175.821 176.870 -0.077 0.000 1.022 629 L CA -0.356 54.506 54.840 0.036 0.000 0.814 629 L CB 1.482 43.628 42.059 0.146 0.000 1.217 629 L HN 0.578 nan 8.230 nan 0.000 0.420 630 M N 6.054 125.599 119.600 -0.091 0.000 2.167 630 M HA 0.454 5.040 4.480 0.176 0.000 0.333 630 M C -0.738 175.478 176.300 -0.139 0.000 1.030 630 M CA -0.588 54.636 55.300 -0.126 0.000 0.963 630 M CB 1.647 34.174 32.600 -0.122 0.000 1.589 630 M HN 0.217 nan 8.290 nan 0.000 0.431 631 V N 3.282 123.078 119.914 -0.196 0.000 2.656 631 V HA 0.693 4.919 4.120 0.176 0.000 0.307 631 V C -0.370 175.632 176.094 -0.154 0.000 1.051 631 V CA -0.671 61.505 62.300 -0.206 0.000 0.893 631 V CB 2.322 33.898 31.823 -0.413 0.000 0.999 631 V HN 0.946 nan 8.190 nan 0.000 0.426 632 E N 2.404 122.540 120.200 -0.108 0.000 2.437 632 E HA 0.834 5.289 4.350 0.176 0.000 0.280 632 E C -0.629 175.931 176.600 -0.067 0.000 1.044 632 E CA -1.023 55.326 56.400 -0.086 0.000 0.826 632 E CB 2.452 32.089 29.700 -0.104 0.000 1.358 632 E HN 1.116 nan 8.360 nan 0.000 0.459 633 G N 0.610 109.379 108.800 -0.051 0.000 1.959 633 G HA2 0.279 4.345 3.960 0.176 0.000 0.289 633 G HA3 0.279 4.345 3.960 0.176 0.000 0.289 633 G C -0.982 173.914 174.900 -0.006 0.000 1.705 633 G CA -0.699 44.379 45.100 -0.036 0.000 0.913 633 G HN 0.382 nan 8.290 nan 0.000 0.686 634 S N 0.206 115.907 115.700 0.002 0.000 2.537 634 S HA 0.446 5.022 4.470 0.176 0.000 0.286 634 S C 1.634 176.269 174.600 0.058 0.000 1.299 634 S CA 1.656 59.883 58.200 0.046 0.000 1.067 634 S CB 1.081 64.331 63.200 0.083 0.000 0.864 634 S HN 2.365 nan 8.310 nan 0.000 0.494 635 G N 2.102 110.939 108.800 0.062 0.000 2.199 635 G HA2 -0.230 3.836 3.960 0.176 0.000 0.254 635 G HA3 -0.230 3.836 3.960 0.176 0.000 0.254 635 G C 0.497 175.421 174.900 0.040 0.000 0.982 635 G CA 0.479 45.611 45.100 0.052 0.000 0.632 635 G HN 0.594 nan 8.290 nan 0.000 0.529 636 L N -1.243 120.002 121.223 0.038 0.000 2.526 636 L HA 0.579 5.025 4.340 0.176 0.000 0.210 636 L C 1.000 177.897 176.870 0.045 0.000 1.048 636 L CA 0.296 55.161 54.840 0.041 0.000 0.852 636 L CB 0.370 42.454 42.059 0.042 0.000 1.128 636 L HN 0.141 nan 8.230 nan 0.000 0.482 637 L N 0.370 121.615 121.223 0.036 0.000 2.409 637 L HA 0.431 4.877 4.340 0.176 0.000 0.262 637 L C -1.078 175.805 176.870 0.022 0.000 0.992 637 L CA -0.598 54.260 54.840 0.030 0.000 0.817 637 L CB 3.108 45.177 42.059 0.016 0.000 1.350 637 L HN -0.046 nan 8.230 nan 0.000 0.411 638 L N 2.979 124.216 121.223 0.022 0.000 2.315 638 L HA 0.464 4.910 4.340 0.176 0.000 0.283 638 L C 0.980 177.856 176.870 0.010 0.000 1.089 638 L CA 0.237 55.092 54.840 0.023 0.000 0.833 638 L CB 0.445 42.520 42.059 0.027 0.000 1.170 638 L HN 0.930 nan 8.230 nan 0.000 0.442 639 G N 3.881 112.686 108.800 0.008 0.000 2.601 639 G HA2 -0.296 3.770 3.960 0.176 0.000 0.252 639 G HA3 -0.296 3.770 3.960 0.176 0.000 0.252 639 G C -0.419 174.466 174.900 -0.026 0.000 1.294 639 G CA -0.315 44.782 45.100 -0.004 0.000 0.912 639 G HN 0.751 nan 8.290 nan 0.000 0.574 640 N N -0.273 118.408 118.700 -0.031 0.000 2.430 640 N HA 0.490 5.336 4.740 0.176 0.000 0.292 640 N C -0.955 174.511 175.510 -0.072 0.000 1.051 640 N CA -0.645 52.371 53.050 -0.057 0.000 0.917 640 N CB 1.556 40.017 38.487 -0.043 0.000 1.164 640 N HN 0.658 nan 8.380 nan 0.000 0.484 641 L N 3.039 124.192 121.223 -0.117 0.000 2.282 641 L HA 0.406 4.852 4.340 0.176 0.000 0.288 641 L C -0.177 176.597 176.870 -0.160 0.000 1.033 641 L CA -0.286 54.466 54.840 -0.147 0.000 0.807 641 L CB 0.722 42.640 42.059 -0.235 0.000 1.209 641 L HN 0.531 nan 8.230 nan 0.000 0.423 642 K N 6.256 126.586 120.400 -0.117 0.000 2.274 642 K HA 0.606 5.032 4.320 0.176 0.000 0.262 642 K C -1.531 175.015 176.600 -0.090 0.000 0.961 642 K CA -0.498 55.725 56.287 -0.106 0.000 0.833 642 K CB 0.951 33.401 32.500 -0.083 0.000 1.102 642 K HN 0.687 nan 8.250 nan 0.000 0.436 643 I N 3.366 123.885 120.570 -0.084 0.000 2.466 643 I HA 0.181 4.457 4.170 0.176 0.000 0.289 643 I C -0.793 175.315 176.117 -0.015 0.000 1.026 643 I CA -1.017 60.259 61.300 -0.040 0.000 1.078 643 I CB 1.996 39.978 38.000 -0.029 0.000 1.249 643 I HN 0.536 nan 8.210 nan 0.000 0.429 644 D N 6.107 126.504 120.400 -0.005 0.000 2.277 644 D HA 0.300 5.046 4.640 0.176 0.000 0.249 644 D C -0.429 175.895 176.300 0.041 0.000 1.134 644 D CA 0.026 54.025 54.000 -0.001 0.000 0.863 644 D CB 2.158 42.954 40.800 -0.008 0.000 1.143 644 D HN 0.031 nan 8.370 nan 0.000 0.458 645 V N 5.207 125.160 119.914 0.066 0.000 2.459 645 V HA 0.320 4.546 4.120 0.176 0.000 0.295 645 V C -1.804 174.352 176.094 0.103 0.000 1.029 645 V CA -1.527 60.849 62.300 0.127 0.000 0.874 645 V CB 1.717 33.705 31.823 0.274 0.000 0.985 645 V HN 0.449 nan 8.190 nan 0.000 0.438 646 P HA 0.084 nan 4.420 nan 0.000 0.271 646 P C 0.056 177.415 177.300 0.098 0.000 1.233 646 P CA -0.142 63.003 63.100 0.075 0.000 0.789 646 P CB 0.296 32.033 31.700 0.063 0.000 0.951 647 T N 1.411 116.011 114.554 0.077 0.000 2.923 647 T HA 0.031 4.487 4.350 0.176 0.000 0.304 647 T C 0.252 175.019 174.700 0.111 0.000 1.044 647 T CA 0.514 62.667 62.100 0.089 0.000 1.141 647 T CB -0.336 68.568 68.868 0.061 0.000 1.023 647 T HN 0.250 nan 8.240 nan 0.000 0.533 648 L N 4.382 125.695 121.223 0.150 0.000 2.298 648 L HA 0.619 5.065 4.340 0.176 0.000 0.284 648 L C 0.672 177.618 176.870 0.127 0.000 1.013 648 L CA -0.148 54.785 54.840 0.155 0.000 0.824 648 L CB 0.737 42.941 42.059 0.242 0.000 1.221 648 L HN 0.726 nan 8.230 nan 0.000 0.418 649 G N 5.179 114.029 108.800 0.083 0.000 2.732 649 G HA2 0.254 4.320 3.960 0.176 0.000 0.244 649 G HA3 0.254 4.320 3.960 0.176 0.000 0.244 649 G C -2.538 172.397 174.900 0.059 0.000 1.226 649 G CA -0.768 44.370 45.100 0.062 0.000 0.860 649 G HN 0.591 nan 8.290 nan 0.000 0.583 650 P HA 0.116 nan 4.420 nan 0.000 0.271 650 P C -0.240 177.063 177.300 0.004 0.000 1.216 650 P CA 0.018 63.138 63.100 0.033 0.000 0.771 650 P CB 1.131 32.846 31.700 0.026 0.000 0.864 651 K N -0.943 119.447 120.400 -0.017 0.000 3.426 651 K HA -0.184 4.242 4.320 0.176 0.000 0.315 651 K C 0.171 176.737 176.600 -0.057 0.000 1.293 651 K CA 1.197 57.455 56.287 -0.049 0.000 0.955 651 K CB -1.824 30.654 32.500 -0.036 0.000 1.238 651 K HN 0.654 nan 8.250 nan 0.000 0.441 652 E N 0.374 120.549 120.200 -0.041 0.000 2.254 652 E HA 0.451 4.907 4.350 0.176 0.000 0.261 652 E C -0.029 176.527 176.600 -0.074 0.000 1.051 652 E CA -0.859 55.519 56.400 -0.038 0.000 0.902 652 E CB 1.430 31.130 29.700 0.000 0.000 1.168 652 E HN 0.103 nan 8.360 nan 0.000 0.423 653 R N 0.470 120.933 120.500 -0.062 0.000 2.599 653 R HA 0.296 4.742 4.340 0.176 0.000 0.295 653 R C -1.177 175.108 176.300 -0.025 0.000 0.963 653 R CA -0.373 55.676 56.100 -0.086 0.000 0.883 653 R CB 1.845 32.085 30.300 -0.101 0.000 1.171 653 R HN 0.426 nan 8.270 nan 0.000 0.450 654 S N 3.054 118.752 115.700 -0.004 0.000 2.442 654 S HA 0.384 4.960 4.470 0.176 0.000 0.297 654 S C -0.697 173.906 174.600 0.006 0.000 1.131 654 S CA -0.699 57.523 58.200 0.036 0.000 1.092 654 S CB 0.704 63.955 63.200 0.086 0.000 0.998 654 S HN 0.558 nan 8.310 nan 0.000 0.478 655 R N 4.620 125.129 120.500 0.015 0.000 2.371 655 R HA 0.478 4.924 4.340 0.176 0.000 0.312 655 R C -1.768 174.553 176.300 0.034 0.000 0.980 655 R CA -0.386 55.719 56.100 0.007 0.000 0.867 655 R CB 1.267 31.563 30.300 -0.007 0.000 1.163 655 R HN 0.551 nan 8.270 nan 0.000 0.492 656 V N 5.397 125.345 119.914 0.057 0.000 2.384 656 V HA 0.502 4.728 4.120 0.176 0.000 0.287 656 V C 0.252 176.416 176.094 0.117 0.000 1.020 656 V CA -0.742 61.626 62.300 0.113 0.000 0.850 656 V CB 1.795 33.723 31.823 0.176 0.000 0.987 656 V HN 0.585 nan 8.190 nan 0.000 0.436 657 R N 4.105 124.658 120.500 0.087 0.000 2.532 657 R HA 0.808 5.254 4.340 0.176 0.000 0.295 657 R C -1.196 175.171 176.300 0.111 0.000 0.968 657 R CA -0.403 55.688 56.100 -0.015 0.000 0.916 657 R CB 2.095 32.366 30.300 -0.048 0.000 1.124 657 R HN 0.728 nan 8.270 nan 0.000 0.463 658 F N -1.453 118.499 119.950 0.003 0.000 2.713 658 F HA 0.477 5.110 4.527 0.177 0.000 0.311 658 F C -1.449 174.351 175.800 0.001 0.000 1.141 658 F CA -1.398 56.604 58.000 0.004 0.000 0.939 658 F CB 1.282 40.285 39.000 0.005 0.000 1.325 658 F HN 0.193 nan 8.300 nan 0.000 0.453 659 D N 2.393 122.915 120.400 0.204 0.000 2.185 659 D HA 0.611 5.357 4.640 0.176 0.000 0.247 659 D C -0.234 176.181 176.300 0.192 0.000 1.027 659 D CA -0.136 53.926 54.000 0.103 0.000 0.861 659 D CB 2.243 43.078 40.800 0.059 0.000 1.202 659 D HN 0.803 nan 8.370 nan 0.000 0.453 660 I N -1.734 118.913 120.570 0.129 0.000 2.910 660 I HA 0.658 4.934 4.170 0.176 0.000 0.310 660 I C -1.132 175.026 176.117 0.068 0.000 1.043 660 I CA -1.168 60.210 61.300 0.130 0.000 1.053 660 I CB 1.956 40.041 38.000 0.142 0.000 1.242 660 I HN 0.066 nan 8.210 nan 0.000 0.452 661 L N 4.702 125.959 121.223 0.058 0.000 2.462 661 L HA 0.626 5.072 4.340 0.176 0.000 0.255 661 L C -2.629 174.263 176.870 0.035 0.000 1.076 661 L CA -1.769 53.094 54.840 0.040 0.000 0.920 661 L CB 0.820 42.901 42.059 0.037 0.000 1.214 661 L HN 0.407 nan 8.230 nan 0.000 0.472 662 P HA 0.146 nan 4.420 nan 0.000 0.265 662 P C 0.014 177.329 177.300 0.025 0.000 1.187 662 P CA 0.358 63.474 63.100 0.027 0.000 0.766 662 P CB 0.724 32.436 31.700 0.021 0.000 0.820 663 S N 1.843 117.559 115.700 0.026 0.000 2.649 663 S HA 0.189 4.765 4.470 0.176 0.000 0.246 663 S C 0.480 175.091 174.600 0.017 0.000 1.057 663 S CA -0.332 57.882 58.200 0.024 0.000 1.051 663 S CB 0.386 63.604 63.200 0.030 0.000 1.018 663 S HN 0.431 nan 8.310 nan 0.000 0.569 664 R N 2.245 122.754 120.500 0.016 0.000 2.533 664 R HA 0.462 4.907 4.340 0.176 0.000 0.288 664 R C -0.793 175.512 176.300 0.009 0.000 1.039 664 R CA -0.108 55.996 56.100 0.006 0.000 0.909 664 R CB 1.798 32.097 30.300 -0.001 0.000 1.195 664 R HN 0.330 nan 8.270 nan 0.000 0.438 665 S N 2.155 117.858 115.700 0.005 0.000 2.584 665 S HA 0.758 5.333 4.470 0.176 0.000 0.270 665 S C 0.541 175.146 174.600 0.009 0.000 1.346 665 S CA 0.455 58.660 58.200 0.007 0.000 1.018 665 S CB 1.462 64.665 63.200 0.005 0.000 0.899 665 S HN 1.119 nan 8.310 nan 0.000 0.542 666 G N 0.300 109.106 108.800 0.011 0.000 2.343 666 G HA2 0.111 4.177 3.960 0.176 0.000 0.562 666 G HA3 0.111 4.177 3.960 0.176 0.000 0.562 666 G C -0.651 174.257 174.900 0.014 0.000 1.269 666 G CA -0.567 44.541 45.100 0.013 0.000 1.011 666 G HN 0.970 nan 8.290 nan 0.000 0.498 667 T N 2.762 117.325 114.554 0.016 0.000 2.743 667 T HA 0.478 4.934 4.350 0.176 0.000 0.290 667 T C 0.358 175.069 174.700 0.019 0.000 0.908 667 T CA 0.036 62.144 62.100 0.014 0.000 1.092 667 T CB 0.383 69.257 68.868 0.012 0.000 0.882 667 T HN 0.514 nan 8.240 nan 0.000 0.531 668 K N 2.625 123.035 120.400 0.017 0.000 2.211 668 K HA 0.472 4.898 4.320 0.176 0.000 0.237 668 K C -0.140 176.465 176.600 0.009 0.000 1.002 668 K CA -0.873 55.425 56.287 0.020 0.000 0.885 668 K CB 1.328 33.842 32.500 0.023 0.000 1.136 668 K HN 0.509 nan 8.250 nan 0.000 0.448 669 Q N 1.373 121.175 119.800 0.003 0.000 2.309 669 Q HA 0.361 4.807 4.340 0.176 0.000 0.270 669 Q C -1.606 174.384 176.000 -0.016 0.000 1.023 669 Q CA -0.829 54.967 55.803 -0.013 0.000 0.758 669 Q CB 1.366 30.085 28.738 -0.032 0.000 1.247 669 Q HN 0.399 nan 8.270 nan 0.000 0.455 670 L N 5.444 126.664 121.223 -0.005 0.000 2.282 670 L HA 0.542 4.987 4.340 0.176 0.000 0.288 670 L C -1.702 175.163 176.870 -0.008 0.000 1.033 670 L CA -0.151 54.694 54.840 0.008 0.000 0.807 670 L CB 1.060 43.150 42.059 0.051 0.000 1.209 670 L HN 0.666 nan 8.230 nan 0.000 0.423 671 L N 4.995 126.198 121.223 -0.032 0.000 2.333 671 L HA 0.969 5.414 4.340 0.176 0.000 0.269 671 L C -0.391 176.455 176.870 -0.039 0.000 1.010 671 L CA -0.753 54.058 54.840 -0.048 0.000 0.818 671 L CB 1.850 43.851 42.059 -0.097 0.000 1.306 671 L HN 0.771 nan 8.230 nan 0.000 0.430 672 A N 1.183 123.988 122.820 -0.025 0.000 2.549 672 A HA 0.637 5.063 4.320 0.176 0.000 0.297 672 A C -1.879 175.701 177.584 -0.007 0.000 1.061 672 A CA -0.472 51.554 52.037 -0.019 0.000 0.690 672 A CB 2.020 21.035 19.000 0.025 0.000 1.287 672 A HN 0.733 nan 8.150 nan 0.000 0.402 673 D N 0.010 120.403 120.400 -0.011 0.000 2.646 673 D HA 0.623 5.369 4.640 0.176 0.000 0.245 673 D C -1.609 174.714 176.300 0.037 0.000 1.099 673 D CA -0.115 53.884 54.000 -0.002 0.000 0.849 673 D CB 1.136 41.907 40.800 -0.049 0.000 1.448 673 D HN 0.348 nan 8.370 nan 0.000 0.489 674 F N 3.081 122.959 119.950 -0.120 0.000 2.500 674 F HA 0.518 5.150 4.527 0.177 0.000 0.349 674 F C -1.246 174.459 175.800 -0.159 0.000 1.127 674 F CA -0.451 57.450 58.000 -0.166 0.000 0.998 674 F CB 1.400 40.248 39.000 -0.254 0.000 1.237 674 F HN 0.218 nan 8.300 nan 0.000 0.439 675 S N 5.080 120.413 115.700 -0.612 0.000 2.472 675 S HA 0.778 5.353 4.470 0.176 0.000 0.303 675 S C -0.804 173.443 174.600 -0.588 0.000 1.099 675 S CA -0.541 57.398 58.200 -0.435 0.000 1.077 675 S CB 1.059 64.103 63.200 -0.259 0.000 1.031 675 S HN 0.852 nan 8.310 nan 0.000 0.487 676 C N 2.063 121.168 119.300 -0.324 0.000 3.323 676 C HA 0.584 5.150 4.460 0.176 0.000 0.324 676 C C 1.521 176.459 174.990 -0.086 0.000 1.428 676 C CA -0.936 57.950 59.018 -0.221 0.000 1.368 676 C CB 0.731 28.384 27.740 -0.144 0.000 1.731 676 C HN 0.857 nan 8.230 nan 0.000 0.455 677 N N 1.622 120.284 118.700 -0.063 0.000 2.104 677 N HA -0.187 4.659 4.740 0.176 0.000 0.190 677 N C 0.995 176.453 175.510 -0.087 0.000 1.024 677 N CA 1.810 54.824 53.050 -0.060 0.000 0.853 677 N CB -0.377 38.080 38.487 -0.049 0.000 1.008 677 N HN 0.747 nan 8.380 nan 0.000 0.424 678 K N -0.496 119.822 120.400 -0.137 0.000 2.356 678 K HA 0.162 4.588 4.320 0.176 0.000 0.195 678 K C -0.208 176.056 176.600 -0.560 0.000 1.037 678 K CA 0.092 56.168 56.287 -0.352 0.000 1.014 678 K CB 0.172 32.385 32.500 -0.479 0.000 0.815 678 K HN 0.279 nan 8.250 nan 0.000 0.507 679 F N 2.865 122.862 119.950 0.079 0.000 2.686 679 F HA 0.250 4.883 4.527 0.176 0.000 0.365 679 F C -2.353 173.447 175.800 0.001 0.000 1.196 679 F CA -2.193 55.853 58.000 0.076 0.000 1.198 679 F CB 1.856 40.924 39.000 0.113 0.000 1.454 679 F HN -0.196 nan 8.300 nan 0.000 0.539 680 P HA 0.176 nan 4.420 nan 0.000 0.275 680 P C 0.052 177.399 177.300 0.080 0.000 1.227 680 P CA 0.152 63.294 63.100 0.069 0.000 0.781 680 P CB 1.645 33.390 31.700 0.076 0.000 0.906 681 A N 3.221 126.047 122.820 0.011 0.000 2.362 681 A HA -0.187 4.239 4.320 0.176 0.000 0.290 681 A C 0.298 177.910 177.584 0.047 0.000 1.441 681 A CA 0.356 52.402 52.037 0.015 0.000 0.743 681 A CB -2.448 16.572 19.000 0.032 0.000 1.125 681 A HN 0.475 nan 8.150 nan 0.000 0.378 682 I N 1.763 122.365 120.570 0.053 0.000 2.441 682 I HA 0.233 4.509 4.170 0.176 0.000 0.287 682 I C 0.604 176.746 176.117 0.041 0.000 1.049 682 I CA -0.296 61.037 61.300 0.055 0.000 1.381 682 I CB 0.896 38.922 38.000 0.044 0.000 1.409 682 I HN 0.302 nan 8.210 nan 0.000 0.523 683 K N 5.332 125.744 120.400 0.020 0.000 2.166 683 K HA 0.892 5.318 4.320 0.176 0.000 0.245 683 K C -0.828 175.772 176.600 0.000 0.000 0.967 683 K CA -0.799 55.491 56.287 0.005 0.000 0.863 683 K CB 2.211 34.701 32.500 -0.016 0.000 1.107 683 K HN 0.675 nan 8.250 nan 0.000 0.436 684 A N 1.906 124.724 122.820 -0.003 0.000 2.566 684 A HA 0.682 5.108 4.320 0.176 0.000 0.297 684 A C -1.026 176.552 177.584 -0.011 0.000 1.059 684 A CA -0.887 51.147 52.037 -0.004 0.000 0.691 684 A CB 1.204 20.212 19.000 0.013 0.000 1.282 684 A HN 0.811 nan 8.150 nan 0.000 0.401 685 M N 1.395 120.984 119.600 -0.018 0.000 2.501 685 M HA 0.934 5.520 4.480 0.176 0.000 0.293 685 M C -2.070 174.221 176.300 -0.015 0.000 1.192 685 M CA -0.898 54.388 55.300 -0.023 0.000 0.886 685 M CB 2.145 34.718 32.600 -0.044 0.000 1.710 685 M HN 0.801 nan 8.290 nan 0.000 0.457 686 L N 1.855 123.072 121.223 -0.009 0.000 2.476 686 L HA 0.613 5.059 4.340 0.176 0.000 0.269 686 L C -1.001 175.865 176.870 -0.007 0.000 0.965 686 L CA 0.062 54.898 54.840 -0.006 0.000 0.845 686 L CB 2.369 44.431 42.059 0.004 0.000 1.259 686 L HN 0.961 nan 8.230 nan 0.000 0.403 687 S N 5.405 121.098 115.700 -0.011 0.000 2.545 687 S HA 0.747 5.323 4.470 0.176 0.000 0.275 687 S C -0.403 174.195 174.600 -0.005 0.000 1.299 687 S CA -0.312 57.883 58.200 -0.008 0.000 1.048 687 S CB 0.119 63.313 63.200 -0.010 0.000 0.938 687 S HN 0.519 nan 8.310 nan 0.000 0.496 688 I N 3.598 124.167 120.570 -0.000 0.000 2.534 688 I HA 0.306 4.582 4.170 0.176 0.000 0.288 688 I C -1.047 175.072 176.117 0.003 0.000 1.077 688 I CA -0.806 60.494 61.300 0.001 0.000 1.051 688 I CB 2.192 40.195 38.000 0.005 0.000 1.234 688 I HN 0.494 nan 8.210 nan 0.000 0.425 689 D N 6.427 126.827 120.400 0.001 0.000 2.347 689 D HA 0.254 5.000 4.640 0.176 0.000 0.235 689 D C -0.381 175.921 176.300 0.003 0.000 1.149 689 D CA -0.060 53.941 54.000 0.003 0.000 0.850 689 D CB 2.196 42.997 40.800 0.001 0.000 1.061 689 D HN 0.037 nan 8.370 nan 0.000 0.487 690 V N 2.203 122.121 119.914 0.007 0.000 2.383 690 V HA 0.520 4.746 4.120 0.176 0.000 0.275 690 V C 0.592 176.690 176.094 0.006 0.000 1.036 690 V CA -0.706 61.598 62.300 0.007 0.000 0.889 690 V CB 1.202 33.032 31.823 0.011 0.000 0.985 690 V HN 0.605 nan 8.190 nan 0.000 0.459 691 A N 4.081 126.904 122.820 0.005 0.000 2.282 691 A HA 0.937 5.363 4.320 0.176 0.000 0.319 691 A C -0.126 177.461 177.584 0.005 0.000 1.121 691 A CA -0.179 51.861 52.037 0.004 0.000 0.836 691 A CB 1.363 20.365 19.000 0.003 0.000 1.146 691 A HN 0.948 nan 8.150 nan 0.000 0.494 692 E N 0.000 120.203 120.200 0.005 0.000 2.725 692 E HA 0.000 4.456 4.350 0.176 0.000 0.291 692 E CA 0.000 56.403 56.400 0.005 0.000 0.976 692 E CB 0.000 29.704 29.700 0.006 0.000 0.812 692 E HN 0.000 nan 8.360 nan 0.000 0.440