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 2ws3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKLPVREFDA VVIGAGGAGM RAALQISQSG QTCALLSKVF PTRSHTVSAQ DATA SEQUENCE GGITVALGNT HEDNWEWHMY DTVKGSDYIG DQDAIEYMCK TGPEAILELE DATA SEQUENCE HMGLPFSRLD DGRIYQRPFG GQSKNFGGEQ AARTAAAADR TGHALLHTLY DATA SEQUENCE QQNLKNHTTI FSEWYALDLV KNQDGAVVGC TALCIETGEV VYFKARATVL DATA SEQUENCE ATGGAGRIYQ STTNAHINTG DGVGMAIRAG VPVQDMEMWQ FHPTGIAGAG DATA SEQUENCE VLVTEGCRGE GGYLLNKHGE RFMERYAPNA KDLAGRDVVA RSIMIEIREG DATA SEQUENCE RGCDGPWGPH AKLKLDHLGK EVLESRLPGI LELSRTFAHV DPVKEPIPVI DATA SEQUENCE PTCHYMMGGI PTKVTGQALT VNEKGEDVVV PGLFAVGEIA CVSVHGANRL DATA SEQUENCE GGNSLLDLVV FGRAAGLHLQ ESIAEQGALR DASESDVEAS LDRLNRWNNN DATA SEQUENCE RNGEDPVAIR KALQECMQHN FSVFREGDAM AKGLEQLKVI RERLKNARLD DATA SEQUENCE DTSSEFNTQR VECLELDNLM ETAYATAVSA NFRTESRGAH SRFDFPDRDD DATA SEQUENCE ENWLCHSLYL PESESMTRRS VNMEPKLRPA FPPKIRTY 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.319 176.300 0.032 0.000 1.140 1 M CA 0.000 55.325 55.300 0.041 0.000 0.988 1 M CB 0.000 32.637 32.600 0.061 0.000 1.302 2 K N 1.516 121.933 120.400 0.030 0.000 2.455 2 K HA 0.439 4.255 4.320 -0.839 0.000 0.206 2 K C -0.904 175.716 176.600 0.033 0.000 1.027 2 K CA -0.021 56.281 56.287 0.026 0.000 1.113 2 K CB 0.616 33.128 32.500 0.019 0.000 0.850 2 K HN 0.599 nan 8.250 nan 0.000 0.503 3 L N 1.148 122.398 121.223 0.045 0.000 2.354 3 L HA 0.475 4.312 4.340 -0.839 0.000 0.269 3 L C -2.501 174.400 176.870 0.051 0.000 1.005 3 L CA -2.137 52.736 54.840 0.056 0.000 0.819 3 L CB 1.816 43.920 42.059 0.075 0.000 1.311 3 L HN -0.107 nan 8.230 nan 0.000 0.423 4 P HA 0.184 nan 4.420 nan 0.000 0.268 4 P C -1.264 176.010 177.300 -0.044 0.000 1.204 4 P CA -0.136 62.962 63.100 -0.004 0.000 0.768 4 P CB 0.620 32.319 31.700 -0.002 0.000 0.842 5 V N 5.460 125.321 119.914 -0.088 0.000 2.384 5 V HA 0.364 3.981 4.120 -0.839 0.000 0.287 5 V C 0.448 176.376 176.094 -0.278 0.000 1.020 5 V CA -0.482 61.703 62.300 -0.192 0.000 0.850 5 V CB 1.102 32.833 31.823 -0.154 0.000 0.987 5 V HN 0.434 nan 8.190 nan 0.000 0.436 6 R N 3.394 123.654 120.500 -0.399 0.000 2.288 6 R HA 0.477 4.313 4.340 -0.839 0.000 0.326 6 R C -0.431 175.689 176.300 -0.300 0.000 0.959 6 R CA -0.505 55.384 56.100 -0.352 0.000 0.834 6 R CB 2.150 32.209 30.300 -0.402 0.000 1.157 6 R HN 0.785 nan 8.270 nan 0.000 0.470 7 E N 3.363 123.309 120.200 -0.425 0.000 2.216 7 E HA 0.416 4.262 4.350 -0.839 0.000 0.279 7 E C -1.169 175.073 176.600 -0.597 0.000 0.997 7 E CA -0.376 55.817 56.400 -0.345 0.000 0.817 7 E CB 0.767 30.304 29.700 -0.272 0.000 1.096 7 E HN 0.295 nan 8.360 nan 0.000 0.393 8 F N 1.246 121.170 119.950 -0.044 0.000 2.664 8 F HA 0.231 4.255 4.527 -0.839 0.000 0.317 8 F C 0.807 176.593 175.800 -0.023 0.000 1.108 8 F CA -0.860 57.131 58.000 -0.016 0.000 0.957 8 F CB 1.487 40.491 39.000 0.006 0.000 1.365 8 F HN 0.417 nan 8.300 nan 0.000 0.475 9 D N 0.584 121.088 120.400 0.173 0.000 2.149 9 D HA 0.146 4.283 4.640 -0.839 0.000 0.201 9 D C 0.248 176.586 176.300 0.064 0.000 0.972 9 D CA 1.171 55.220 54.000 0.083 0.000 0.835 9 D CB 0.189 41.018 40.800 0.048 0.000 0.966 9 D HN 0.407 nan 8.370 nan 0.000 0.476 10 A N 0.061 122.922 122.820 0.068 0.000 2.449 10 A HA 0.563 4.379 4.320 -0.839 0.000 0.302 10 A C -1.101 176.447 177.584 -0.060 0.000 1.048 10 A CA -0.542 51.481 52.037 -0.023 0.000 0.708 10 A CB 2.134 21.075 19.000 -0.097 0.000 1.274 10 A HN -0.101 nan 8.150 nan 0.000 0.410 11 V N 2.394 122.251 119.914 -0.096 0.000 2.407 11 V HA 0.389 4.006 4.120 -0.839 0.000 0.291 11 V C -0.484 175.498 176.094 -0.188 0.000 1.018 11 V CA -0.517 61.659 62.300 -0.207 0.000 0.842 11 V CB 1.567 33.285 31.823 -0.174 0.000 0.996 11 V HN 0.661 nan 8.190 nan 0.000 0.426 12 V N 6.781 126.565 119.914 -0.217 0.000 2.333 12 V HA 0.391 4.008 4.120 -0.839 0.000 0.274 12 V C 0.201 176.186 176.094 -0.181 0.000 1.028 12 V CA -0.294 61.909 62.300 -0.161 0.000 0.851 12 V CB 1.277 33.020 31.823 -0.133 0.000 1.000 12 V HN 0.691 nan 8.190 nan 0.000 0.456 13 I N 5.494 125.973 120.570 -0.151 0.000 2.311 13 I HA 0.575 4.242 4.170 -0.839 0.000 0.297 13 I C 0.909 176.959 176.117 -0.111 0.000 1.131 13 I CA 0.491 61.698 61.300 -0.155 0.000 1.289 13 I CB 0.163 38.080 38.000 -0.138 0.000 1.446 13 I HN 0.831 nan 8.210 nan 0.000 0.524 14 G N 4.483 113.219 108.800 -0.106 0.000 2.801 14 G HA2 0.235 3.692 3.960 -0.839 0.000 0.648 14 G HA3 0.235 3.692 3.960 -0.839 0.000 0.648 14 G C -0.608 174.251 174.900 -0.068 0.000 1.415 14 G CA -0.390 44.666 45.100 -0.073 0.000 0.887 14 G HN 0.763 nan 8.290 nan 0.000 0.627 15 A N 1.324 124.105 122.820 -0.065 0.000 3.041 15 A HA 0.809 4.626 4.320 -0.839 0.000 0.307 15 A C 1.183 178.723 177.584 -0.073 0.000 1.116 15 A CA 0.990 52.983 52.037 -0.074 0.000 1.001 15 A CB -0.136 18.806 19.000 -0.097 0.000 1.112 15 A HN 2.030 nan 8.150 nan 0.000 0.556 16 G N -0.596 108.178 108.800 -0.044 0.000 2.509 16 G HA2 0.429 3.886 3.960 -0.839 0.000 0.269 16 G HA3 0.429 3.886 3.960 -0.839 0.000 0.269 16 G C 1.167 176.052 174.900 -0.026 0.000 1.416 16 G CA 0.136 45.217 45.100 -0.032 0.000 1.052 16 G HN 0.598 nan 8.290 nan 0.000 0.542 17 G N 0.047 108.842 108.800 -0.009 0.000 2.599 17 G HA2 -0.081 3.376 3.960 -0.839 0.000 0.219 17 G HA3 -0.081 3.376 3.960 -0.839 0.000 0.219 17 G C 1.966 176.873 174.900 0.012 0.000 1.193 17 G CA 2.312 47.412 45.100 0.001 0.000 0.778 17 G HN 0.994 nan 8.290 nan 0.000 0.589 18 A N 0.528 123.367 122.820 0.031 0.000 1.897 18 A HA 0.263 4.080 4.320 -0.839 0.000 0.215 18 A C 2.746 180.342 177.584 0.019 0.000 1.181 18 A CA 1.934 53.998 52.037 0.045 0.000 0.620 18 A CB -1.063 17.982 19.000 0.076 0.000 0.821 18 A HN 0.643 nan 8.150 nan 0.000 0.443 19 G N -0.355 108.444 108.800 -0.002 0.000 2.476 19 G HA2 -0.276 3.181 3.960 -0.839 0.000 0.218 19 G HA3 -0.276 3.181 3.960 -0.839 0.000 0.218 19 G C 1.618 176.496 174.900 -0.037 0.000 1.164 19 G CA 1.311 46.394 45.100 -0.027 0.000 0.768 19 G HN 0.451 nan 8.290 nan 0.000 0.560 20 M N -0.483 119.097 119.600 -0.034 0.000 2.319 20 M HA 0.074 4.050 4.480 -0.839 0.000 0.265 20 M C 2.540 178.820 176.300 -0.034 0.000 1.068 20 M CA 0.920 56.197 55.300 -0.038 0.000 1.118 20 M CB -0.023 32.556 32.600 -0.035 0.000 1.395 20 M HN 0.171 nan 8.290 nan 0.000 0.435 21 R N 0.870 121.359 120.500 -0.020 0.000 2.093 21 R HA 0.057 3.893 4.340 -0.839 0.000 0.224 21 R C 2.024 178.314 176.300 -0.017 0.000 1.101 21 R CA 1.623 57.714 56.100 -0.015 0.000 0.979 21 R CB -0.448 29.852 30.300 0.001 0.000 0.877 21 R HN 0.267 nan 8.270 nan 0.000 0.441 22 A N 0.387 123.198 122.820 -0.015 0.000 1.873 22 A HA 0.029 3.845 4.320 -0.839 0.000 0.215 22 A C 2.359 179.913 177.584 -0.050 0.000 1.186 22 A CA 1.544 53.566 52.037 -0.025 0.000 0.616 22 A CB -1.094 17.893 19.000 -0.022 0.000 0.823 22 A HN 0.451 nan 8.150 nan 0.000 0.442 23 A N -0.427 122.358 122.820 -0.058 0.000 1.883 23 A HA -0.101 3.715 4.320 -0.839 0.000 0.217 23 A C 2.124 179.673 177.584 -0.059 0.000 1.186 23 A CA 1.819 53.815 52.037 -0.069 0.000 0.624 23 A CB -0.761 18.193 19.000 -0.076 0.000 0.822 23 A HN 0.639 nan 8.150 nan 0.000 0.444 24 L N -0.666 120.524 121.223 -0.055 0.000 2.081 24 L HA -0.216 3.620 4.340 -0.839 0.000 0.212 24 L C 2.482 179.325 176.870 -0.044 0.000 1.080 24 L CA 2.695 57.503 54.840 -0.052 0.000 0.754 24 L CB -0.518 41.510 42.059 -0.052 0.000 0.893 24 L HN 0.552 nan 8.230 nan 0.000 0.433 25 Q N -0.738 119.037 119.800 -0.041 0.000 2.163 25 Q HA -0.021 3.816 4.340 -0.839 0.000 0.198 25 Q C 2.092 178.066 176.000 -0.044 0.000 0.954 25 Q CA 1.459 57.239 55.803 -0.039 0.000 0.851 25 Q CB -0.223 28.496 28.738 -0.032 0.000 0.928 25 Q HN 0.608 nan 8.270 nan 0.000 0.459 26 I N -0.113 120.425 120.570 -0.052 0.000 2.286 26 I HA -0.245 3.422 4.170 -0.839 0.000 0.248 26 I C 2.324 178.417 176.117 -0.040 0.000 1.115 26 I CA 1.233 62.499 61.300 -0.058 0.000 1.392 26 I CB -0.307 37.646 38.000 -0.078 0.000 1.065 26 I HN 0.199 nan 8.210 nan 0.000 0.418 27 S N 0.110 115.789 115.700 -0.035 0.000 2.357 27 S HA -0.203 3.764 4.470 -0.839 0.000 0.221 27 S C 1.969 176.559 174.600 -0.017 0.000 1.031 27 S CA 1.336 59.523 58.200 -0.021 0.000 0.982 27 S CB -0.082 63.103 63.200 -0.024 0.000 0.853 27 S HN 0.415 nan 8.310 nan 0.000 0.458 28 Q N 0.366 120.152 119.800 -0.024 0.000 2.437 28 Q HA 0.124 3.960 4.340 -0.839 0.000 0.210 28 Q C 1.334 177.321 176.000 -0.022 0.000 0.972 28 Q CA 0.821 56.611 55.803 -0.022 0.000 0.903 28 Q CB 0.058 28.781 28.738 -0.026 0.000 0.967 28 Q HN 0.351 nan 8.270 nan 0.000 0.486 29 S N -0.622 115.062 115.700 -0.026 0.000 2.660 29 S HA 0.179 4.145 4.470 -0.839 0.000 0.227 29 S C 0.826 175.415 174.600 -0.018 0.000 0.948 29 S CA 0.426 58.610 58.200 -0.027 0.000 0.948 29 S CB 0.489 63.667 63.200 -0.037 0.000 0.779 29 S HN 0.604 nan 8.310 nan 0.000 0.487 30 G N 1.630 110.423 108.800 -0.012 0.000 2.221 30 G HA2 -0.258 3.199 3.960 -0.839 0.000 0.265 30 G HA3 -0.258 3.199 3.960 -0.839 0.000 0.265 30 G C -0.250 174.651 174.900 0.001 0.000 1.041 30 G CA -0.049 45.049 45.100 -0.004 0.000 0.807 30 G HN 0.515 nan 8.290 nan 0.000 0.502 31 Q N 0.232 120.033 119.800 0.001 0.000 2.309 31 Q HA 0.583 4.420 4.340 -0.839 0.000 0.264 31 Q C 0.737 176.757 176.000 0.034 0.000 1.008 31 Q CA -0.129 55.680 55.803 0.011 0.000 0.853 31 Q CB 1.438 30.174 28.738 -0.003 0.000 1.314 31 Q HN 0.461 nan 8.270 nan 0.000 0.448 32 T N -1.564 113.029 114.554 0.065 0.000 2.930 32 T HA 0.278 4.125 4.350 -0.839 0.000 0.306 32 T C -0.133 174.669 174.700 0.170 0.000 1.045 32 T CA -0.625 61.560 62.100 0.141 0.000 1.134 32 T CB 0.528 69.498 68.868 0.171 0.000 0.961 32 T HN 0.656 nan 8.240 nan 0.000 0.545 33 C N 3.012 122.406 119.300 0.157 0.000 2.752 33 C HA 0.747 4.704 4.460 -0.839 0.000 0.360 33 C C -0.193 174.672 174.990 -0.208 0.000 1.081 33 C CA -0.389 58.623 59.018 -0.012 0.000 1.272 33 C CB -0.009 27.704 27.740 -0.045 0.000 1.754 33 C HN 1.328 nan 8.230 nan 0.000 0.483 34 A N 5.250 127.735 122.820 -0.558 0.000 2.274 34 A HA 0.693 4.509 4.320 -0.839 0.000 0.309 34 A C -0.882 176.475 177.584 -0.378 0.000 1.226 34 A CA -0.402 51.217 52.037 -0.697 0.000 0.853 34 A CB 0.691 18.834 19.000 -1.429 0.000 1.146 34 A HN 1.239 nan 8.150 nan 0.000 0.518 35 L N 3.760 124.865 121.223 -0.197 0.000 2.265 35 L HA 0.608 4.445 4.340 -0.839 0.000 0.289 35 L C -1.028 175.760 176.870 -0.136 0.000 1.033 35 L CA -0.256 54.486 54.840 -0.164 0.000 0.814 35 L CB 0.779 42.773 42.059 -0.109 0.000 1.203 35 L HN 0.586 nan 8.230 nan 0.000 0.423 36 L N 3.956 125.046 121.223 -0.221 0.000 2.360 36 L HA 0.744 4.581 4.340 -0.839 0.000 0.271 36 L C 0.070 176.895 176.870 -0.074 0.000 1.057 36 L CA 0.190 54.915 54.840 -0.192 0.000 0.803 36 L CB 1.818 43.657 42.059 -0.367 0.000 1.207 36 L HN 0.701 nan 8.230 nan 0.000 0.445 37 S N -0.026 115.692 115.700 0.029 0.000 2.543 37 S HA 0.311 4.278 4.470 -0.839 0.000 0.273 37 S C 0.236 174.903 174.600 0.112 0.000 1.152 37 S CA -0.711 57.509 58.200 0.033 0.000 0.910 37 S CB 1.000 64.197 63.200 -0.005 0.000 1.105 37 S HN 0.711 nan 8.310 nan 0.000 0.465 38 K N 2.063 122.519 120.400 0.093 0.000 2.365 38 K HA 0.157 3.974 4.320 -0.839 0.000 0.197 38 K C 0.700 177.384 176.600 0.141 0.000 1.042 38 K CA 0.760 57.136 56.287 0.149 0.000 0.987 38 K CB -0.235 32.389 32.500 0.207 0.000 0.779 38 K HN 0.433 nan 8.250 nan 0.000 0.484 39 V N -1.972 118.016 119.914 0.124 0.000 3.113 39 V HA 0.454 4.071 4.120 -0.839 0.000 0.316 39 V C -0.262 175.931 176.094 0.165 0.000 1.125 39 V CA -1.490 60.902 62.300 0.153 0.000 1.026 39 V CB 1.009 32.913 31.823 0.135 0.000 1.080 39 V HN 0.114 nan 8.190 nan 0.000 0.444 40 F N 3.747 123.716 119.950 0.032 0.000 2.623 40 F HA 0.320 4.343 4.527 -0.840 0.000 0.383 40 F C -1.463 174.262 175.800 -0.126 0.000 1.077 40 F CA -1.116 56.862 58.000 -0.037 0.000 1.268 40 F CB 0.850 39.817 39.000 -0.055 0.000 1.053 40 F HN 0.445 nan 8.300 nan 0.000 0.571 41 P HA -0.239 nan 4.420 nan 0.000 0.218 41 P C 1.298 178.279 177.300 -0.531 0.000 1.150 41 P CA 2.586 65.324 63.100 -0.603 0.000 0.841 41 P CB -0.233 31.055 31.700 -0.687 0.000 0.784 42 T N -4.454 109.703 114.554 -0.662 0.000 3.169 42 T HA 0.105 3.951 4.350 -0.839 0.000 0.250 42 T C 1.216 175.848 174.700 -0.113 0.000 1.111 42 T CA -0.051 61.795 62.100 -0.424 0.000 1.010 42 T CB -0.404 68.080 68.868 -0.640 0.000 0.984 42 T HN 0.048 nan 8.240 nan 0.000 0.537 43 R N 1.085 121.588 120.500 0.005 0.000 2.393 43 R HA 0.339 4.175 4.340 -0.839 0.000 0.244 43 R C 0.308 176.650 176.300 0.069 0.000 0.920 43 R CA -0.129 56.023 56.100 0.086 0.000 1.076 43 R CB 0.044 30.430 30.300 0.144 0.000 1.119 43 R HN 0.304 nan 8.270 nan 0.000 0.524 44 S N 0.942 116.649 115.700 0.011 0.000 2.584 44 S HA -0.036 3.931 4.470 -0.839 0.000 0.270 44 S C 1.089 175.738 174.600 0.082 0.000 1.346 44 S CA -0.278 57.945 58.200 0.037 0.000 1.018 44 S CB 0.763 63.953 63.200 -0.017 0.000 0.899 44 S HN 0.368 nan 8.310 nan 0.000 0.542 45 H N 1.849 120.926 119.070 0.010 0.000 2.489 45 H HA -0.063 3.989 4.556 -0.840 0.000 0.293 45 H C 1.819 177.163 175.328 0.026 0.000 1.066 45 H CA 2.059 58.118 56.048 0.019 0.000 1.305 45 H CB -0.544 29.221 29.762 0.005 0.000 1.386 45 H HN 0.595 nan 8.280 nan 0.000 0.551 46 T N -0.721 113.803 114.554 -0.049 0.000 2.822 46 T HA -0.168 3.679 4.350 -0.839 0.000 0.270 46 T C 2.155 176.809 174.700 -0.077 0.000 1.064 46 T CA 1.141 63.194 62.100 -0.078 0.000 1.131 46 T CB -0.584 68.269 68.868 -0.026 0.000 0.858 46 T HN 0.253 nan 8.240 nan 0.000 0.483 47 V N 1.077 120.964 119.914 -0.045 0.000 2.720 47 V HA -0.111 3.505 4.120 -0.839 0.000 0.256 47 V C 2.082 178.201 176.094 0.042 0.000 1.082 47 V CA 1.782 64.110 62.300 0.046 0.000 1.101 47 V CB -0.357 31.524 31.823 0.097 0.000 0.693 47 V HN 0.436 nan 8.190 nan 0.000 0.479 48 S N 0.180 115.819 115.700 -0.100 0.000 2.548 48 S HA 0.389 4.356 4.470 -0.839 0.000 0.215 48 S C 0.932 175.477 174.600 -0.092 0.000 0.976 48 S CA 0.364 58.504 58.200 -0.099 0.000 0.908 48 S CB -0.020 63.078 63.200 -0.171 0.000 0.781 48 S HN 0.693 nan 8.310 nan 0.000 0.519 49 A N 1.405 124.164 122.820 -0.101 0.000 2.498 49 A HA 0.280 4.097 4.320 -0.839 0.000 0.239 49 A C 0.846 178.454 177.584 0.040 0.000 1.068 49 A CA 0.075 52.103 52.037 -0.016 0.000 0.766 49 A CB 0.327 19.323 19.000 -0.006 0.000 1.003 49 A HN 0.449 nan 8.150 nan 0.000 0.497 50 Q N 1.806 121.652 119.800 0.077 0.000 2.579 50 Q HA 0.123 3.960 4.340 -0.839 0.000 0.198 50 Q C 2.157 178.232 176.000 0.125 0.000 0.769 50 Q CA 0.451 56.309 55.803 0.092 0.000 0.861 50 Q CB -0.060 28.730 28.738 0.086 0.000 1.227 50 Q HN 0.872 nan 8.270 nan 0.000 0.615 51 G N 0.761 109.679 108.800 0.196 0.000 2.514 51 G HA2 0.113 3.570 3.960 -0.839 0.000 0.217 51 G HA3 0.113 3.570 3.960 -0.839 0.000 0.217 51 G C 0.640 175.539 174.900 -0.003 0.000 1.198 51 G CA 1.141 46.396 45.100 0.259 0.000 0.780 51 G HN 0.548 nan 8.290 nan 0.000 0.565 52 G N -1.516 107.218 108.800 -0.109 0.000 2.339 52 G HA2 0.303 3.760 3.960 -0.839 0.000 0.275 52 G HA3 0.303 3.760 3.960 -0.839 0.000 0.275 52 G C -1.507 173.306 174.900 -0.145 0.000 1.323 52 G CA -0.515 44.526 45.100 -0.099 0.000 0.927 52 G HN 0.539 nan 8.290 nan 0.000 0.486 53 I N 0.951 121.467 120.570 -0.090 0.000 2.378 53 I HA 0.441 4.107 4.170 -0.839 0.000 0.291 53 I C 0.057 176.074 176.117 -0.167 0.000 0.992 53 I CA -0.674 60.578 61.300 -0.080 0.000 1.154 53 I CB 2.126 40.142 38.000 0.026 0.000 1.315 53 I HN 0.335 nan 8.210 nan 0.000 0.448 54 T N 5.916 120.367 114.554 -0.172 0.000 2.749 54 T HA 0.499 4.345 4.350 -0.839 0.000 0.295 54 T C -0.481 174.070 174.700 -0.248 0.000 0.936 54 T CA -0.331 61.627 62.100 -0.237 0.000 1.060 54 T CB 1.107 69.864 68.868 -0.186 0.000 0.904 54 T HN 0.418 nan 8.240 nan 0.000 0.500 55 V N 2.541 122.257 119.914 -0.329 0.000 2.966 55 V HA 0.621 4.238 4.120 -0.839 0.000 0.288 55 V C -0.933 175.024 176.094 -0.229 0.000 1.380 55 V CA -0.961 61.194 62.300 -0.243 0.000 0.966 55 V CB 1.730 33.478 31.823 -0.124 0.000 1.115 55 V HN 0.972 nan 8.190 nan 0.000 0.436 56 A N 6.593 129.342 122.820 -0.120 0.000 2.981 56 A HA 0.420 4.237 4.320 -0.839 0.000 0.280 56 A C 0.820 178.341 177.584 -0.106 0.000 1.743 56 A CA 0.075 52.063 52.037 -0.083 0.000 1.430 56 A CB -0.519 18.506 19.000 0.042 0.000 1.085 56 A HN 0.962 nan 8.150 nan 0.000 0.597 57 L N 1.512 122.634 121.223 -0.168 0.000 2.209 57 L HA 0.145 3.981 4.340 -0.839 0.000 0.207 57 L C 1.776 178.542 176.870 -0.173 0.000 1.094 57 L CA 0.783 55.520 54.840 -0.172 0.000 0.790 57 L CB -0.260 41.669 42.059 -0.217 0.000 0.932 57 L HN 0.845 nan 8.230 nan 0.000 0.447 58 G N 0.839 109.504 108.800 -0.226 0.000 2.298 58 G HA2 -0.263 3.193 3.960 -0.839 0.000 0.287 58 G HA3 -0.263 3.193 3.960 -0.839 0.000 0.287 58 G C 0.359 175.129 174.900 -0.217 0.000 1.075 58 G CA 0.488 45.435 45.100 -0.256 0.000 0.960 58 G HN 0.319 nan 8.290 nan 0.000 0.502 59 N N -0.596 117.966 118.700 -0.230 0.000 2.436 59 N HA 0.033 4.269 4.740 -0.839 0.000 0.178 59 N C 2.312 177.737 175.510 -0.140 0.000 1.026 59 N CA 1.469 54.423 53.050 -0.160 0.000 0.880 59 N CB -0.255 38.140 38.487 -0.153 0.000 1.061 59 N HN 0.337 nan 8.380 nan 0.000 0.434 60 T N 0.134 114.569 114.554 -0.198 0.000 2.942 60 T HA -0.028 3.818 4.350 -0.839 0.000 0.265 60 T C 0.066 174.770 174.700 0.007 0.000 1.062 60 T CA 1.149 63.191 62.100 -0.096 0.000 1.139 60 T CB -0.118 68.697 68.868 -0.088 0.000 0.883 60 T HN 0.579 nan 8.240 nan 0.000 0.468 61 H N -1.212 117.846 119.070 -0.019 0.000 3.017 61 H HA 0.648 4.700 4.556 -0.839 0.000 0.346 61 H C -0.973 174.369 175.328 0.023 0.000 1.286 61 H CA -1.167 54.889 56.048 0.012 0.000 1.120 61 H CB 0.621 30.401 29.762 0.029 0.000 1.860 61 H HN -0.048 nan 8.280 nan 0.000 0.542 62 E N 0.549 120.840 120.200 0.152 0.000 2.452 62 E HA 0.096 3.943 4.350 -0.839 0.000 0.261 62 E C -0.792 175.939 176.600 0.219 0.000 0.987 62 E CA 0.512 56.972 56.400 0.101 0.000 0.926 62 E CB 0.424 30.196 29.700 0.119 0.000 0.934 62 E HN 0.535 nan 8.360 nan 0.000 0.452 63 D N 2.124 122.502 120.400 -0.036 0.000 2.652 63 D HA 0.395 4.531 4.640 -0.839 0.000 0.285 63 D C -1.643 174.345 176.300 -0.520 0.000 1.173 63 D CA -0.619 53.332 54.000 -0.082 0.000 0.981 63 D CB 1.336 42.076 40.800 -0.099 0.000 1.440 63 D HN 0.369 nan 8.370 nan 0.000 0.485 64 N N 1.055 119.325 118.700 -0.717 0.000 2.455 64 N HA 0.054 4.290 4.740 -0.839 0.000 0.285 64 N C 0.918 176.163 175.510 -0.441 0.000 1.080 64 N CA -0.616 51.925 53.050 -0.849 0.000 0.932 64 N CB 0.877 38.304 38.487 -1.766 0.000 1.610 64 N HN 0.670 nan 8.380 nan 0.000 0.493 65 W N 3.837 125.014 121.300 -0.205 0.000 2.341 65 W HA -0.086 4.070 4.660 -0.840 0.000 0.283 65 W C 0.501 177.052 176.519 0.053 0.000 1.215 65 W CA 0.787 58.118 57.345 -0.023 0.000 1.211 65 W CB -0.292 29.155 29.460 -0.022 0.000 1.131 65 W HN 0.582 nan 8.180 nan 0.000 0.552 66 E N 0.087 119.804 120.200 -0.805 0.000 2.106 66 E HA -0.177 3.670 4.350 -0.839 0.000 0.192 66 E C 2.000 178.630 176.600 0.050 0.000 0.984 66 E CA 1.672 57.752 56.400 -0.533 0.000 0.806 66 E CB -0.561 28.800 29.700 -0.565 0.000 0.750 66 E HN 0.206 nan 8.360 nan 0.000 0.458 67 W N 0.618 121.724 121.300 -0.324 0.000 2.358 67 W HA -0.153 4.004 4.660 -0.838 0.000 0.303 67 W C 2.129 178.667 176.519 0.031 0.000 1.208 67 W CA 0.976 58.111 57.345 -0.351 0.000 1.274 67 W CB -1.382 27.867 29.460 -0.351 0.000 1.138 67 W HN 0.344 nan 8.180 nan 0.000 0.515 68 H N -0.658 118.551 119.070 0.231 0.000 2.389 68 H HA -0.155 3.897 4.556 -0.840 0.000 0.299 68 H C 2.320 177.764 175.328 0.194 0.000 1.081 68 H CA 1.554 57.720 56.048 0.197 0.000 1.345 68 H CB -0.131 29.737 29.762 0.176 0.000 1.393 68 H HN -0.002 nan 8.280 nan 0.000 0.520 69 M N 0.187 119.900 119.600 0.189 0.000 2.086 69 M HA -0.245 3.731 4.480 -0.839 0.000 0.261 69 M C 2.227 178.527 176.300 0.000 0.000 1.067 69 M CA 1.811 57.204 55.300 0.153 0.000 1.116 69 M CB -0.379 32.481 32.600 0.433 0.000 1.348 69 M HN 0.384 nan 8.290 nan 0.000 0.407 70 Y N 1.253 121.450 120.300 -0.171 0.000 2.128 70 Y HA -0.304 3.743 4.550 -0.840 0.000 0.284 70 Y C 1.820 177.540 175.900 -0.300 0.000 1.154 70 Y CA 2.239 59.981 58.100 -0.597 0.000 1.149 70 Y CB -0.500 37.835 38.460 -0.209 0.000 0.976 70 Y HN 0.322 nan 8.280 nan 0.000 0.505 71 D N -0.701 119.707 120.400 0.013 0.000 2.149 71 D HA -0.151 3.986 4.640 -0.839 0.000 0.198 71 D C 2.075 178.321 176.300 -0.090 0.000 0.990 71 D CA 1.921 55.923 54.000 0.005 0.000 0.839 71 D CB -0.308 40.616 40.800 0.207 0.000 0.948 71 D HN 0.428 nan 8.370 nan 0.000 0.460 72 T N 0.165 114.673 114.554 -0.077 0.000 2.809 72 T HA -0.045 3.802 4.350 -0.839 0.000 0.260 72 T C 2.298 176.895 174.700 -0.173 0.000 1.039 72 T CA 0.546 62.604 62.100 -0.070 0.000 1.141 72 T CB -0.236 68.592 68.868 -0.067 0.000 0.869 72 T HN -0.042 nan 8.240 nan 0.000 0.437 73 V N 1.780 121.526 119.914 -0.280 0.000 2.295 73 V HA -0.180 3.436 4.120 -0.839 0.000 0.246 73 V C 2.540 178.247 176.094 -0.645 0.000 1.049 73 V CA 1.660 63.752 62.300 -0.348 0.000 1.024 73 V CB -0.559 31.095 31.823 -0.281 0.000 0.648 73 V HN 0.419 nan 8.190 nan 0.000 0.447 74 K N 0.283 120.202 120.400 -0.803 0.000 1.991 74 K HA -0.181 3.636 4.320 -0.839 0.000 0.212 74 K C 2.253 178.599 176.600 -0.423 0.000 1.049 74 K CA 1.835 57.616 56.287 -0.843 0.000 0.932 74 K CB -0.869 31.174 32.500 -0.763 0.000 0.717 74 K HN 0.467 nan 8.250 nan 0.000 0.441 75 G N 0.722 109.401 108.800 -0.202 0.000 2.547 75 G HA2 -0.365 3.091 3.960 -0.839 0.000 0.221 75 G HA3 -0.365 3.091 3.960 -0.839 0.000 0.221 75 G C 1.442 176.324 174.900 -0.030 0.000 1.140 75 G CA 1.656 46.754 45.100 -0.004 0.000 0.760 75 G HN 0.549 nan 8.290 nan 0.000 0.583 76 S N -0.035 115.605 115.700 -0.100 0.000 2.595 76 S HA -0.015 3.952 4.470 -0.839 0.000 0.235 76 S C 1.057 175.637 174.600 -0.032 0.000 0.974 76 S CA 1.093 59.270 58.200 -0.037 0.000 0.942 76 S CB -0.175 63.003 63.200 -0.038 0.000 0.766 76 S HN 0.367 nan 8.310 nan 0.000 0.536 77 D N 0.663 121.008 120.400 -0.091 0.000 2.701 77 D HA -0.262 3.874 4.640 -0.839 0.000 0.235 77 D C -0.518 175.856 176.300 0.124 0.000 1.155 77 D CA 1.010 55.019 54.000 0.015 0.000 0.649 77 D CB -1.921 38.945 40.800 0.110 0.000 1.050 77 D HN 0.693 nan 8.370 nan 0.000 0.425 78 Y N -3.583 116.726 120.300 0.016 0.000 4.668 78 Y HA -0.346 3.700 4.550 -0.841 0.000 0.234 78 Y C 1.639 177.545 175.900 0.011 0.000 1.056 78 Y CA 1.217 59.328 58.100 0.018 0.000 2.025 78 Y CB -2.330 36.143 38.460 0.022 0.000 1.613 78 Y HN 0.509 nan 8.280 nan 0.000 0.653 79 I N -2.473 118.144 120.570 0.077 0.000 4.025 79 I HA 0.512 4.178 4.170 -0.839 0.000 0.336 79 I C 1.284 177.405 176.117 0.006 0.000 1.390 79 I CA 0.128 61.416 61.300 -0.021 0.000 1.099 79 I CB 0.332 38.286 38.000 -0.077 0.000 1.049 79 I HN 0.129 nan 8.210 nan 0.000 0.394 80 G N 1.775 110.612 108.800 0.061 0.000 2.361 80 G HA2 0.121 3.578 3.960 -0.839 0.000 0.260 80 G HA3 0.121 3.578 3.960 -0.839 0.000 0.260 80 G C -0.445 174.527 174.900 0.120 0.000 1.261 80 G CA -0.311 44.849 45.100 0.100 0.000 0.897 80 G HN 0.239 nan 8.290 nan 0.000 0.499 81 D N 2.327 122.826 120.400 0.166 0.000 2.472 81 D HA -0.019 4.118 4.640 -0.839 0.000 0.248 81 D C 1.268 177.640 176.300 0.119 0.000 1.174 81 D CA 0.562 54.650 54.000 0.147 0.000 0.883 81 D CB 1.603 42.474 40.800 0.119 0.000 1.149 81 D HN 0.523 nan 8.370 nan 0.000 0.488 82 Q N 1.301 121.183 119.800 0.137 0.000 2.187 82 Q HA -0.124 3.712 4.340 -0.839 0.000 0.199 82 Q C 1.603 177.707 176.000 0.173 0.000 0.957 82 Q CA 0.723 56.628 55.803 0.169 0.000 0.857 82 Q CB 0.251 29.114 28.738 0.208 0.000 0.929 82 Q HN 0.532 nan 8.270 nan 0.000 0.453 83 D N 0.638 121.121 120.400 0.139 0.000 2.149 83 D HA -0.192 3.944 4.640 -0.839 0.000 0.198 83 D C 1.593 177.989 176.300 0.159 0.000 0.990 83 D CA 1.551 55.630 54.000 0.132 0.000 0.839 83 D CB -0.218 40.633 40.800 0.085 0.000 0.948 83 D HN 0.195 nan 8.370 nan 0.000 0.460 84 A N 0.852 123.761 122.820 0.147 0.000 1.872 84 A HA 0.050 3.867 4.320 -0.839 0.000 0.214 84 A C 2.593 180.346 177.584 0.281 0.000 1.187 84 A CA 0.922 53.083 52.037 0.207 0.000 0.614 84 A CB -0.745 18.303 19.000 0.080 0.000 0.826 84 A HN 0.243 nan 8.150 nan 0.000 0.442 85 I N -0.307 120.373 120.570 0.183 0.000 2.361 85 I HA -0.252 3.414 4.170 -0.839 0.000 0.251 85 I C 2.549 178.763 176.117 0.161 0.000 1.133 85 I CA 1.650 63.037 61.300 0.145 0.000 1.413 85 I CB -0.240 37.816 38.000 0.094 0.000 1.073 85 I HN 0.546 nan 8.210 nan 0.000 0.424 86 E N 0.690 121.018 120.200 0.213 0.000 2.028 86 E HA -0.290 3.556 4.350 -0.839 0.000 0.191 86 E C 2.298 178.919 176.600 0.034 0.000 0.988 86 E CA 1.442 57.974 56.400 0.220 0.000 0.799 86 E CB -0.230 29.625 29.700 0.258 0.000 0.755 86 E HN 0.480 nan 8.360 nan 0.000 0.447 87 Y N 1.069 121.357 120.300 -0.019 0.000 2.114 87 Y HA -0.278 3.768 4.550 -0.840 0.000 0.282 87 Y C 2.402 178.200 175.900 -0.170 0.000 1.165 87 Y CA 2.401 60.447 58.100 -0.090 0.000 1.148 87 Y CB -0.262 38.204 38.460 0.011 0.000 0.972 87 Y HN 0.087 nan 8.280 nan 0.000 0.504 88 M N -1.209 118.370 119.600 -0.036 0.000 2.077 88 M HA -0.239 3.738 4.480 -0.839 0.000 0.261 88 M C 2.219 178.392 176.300 -0.213 0.000 1.070 88 M CA 2.268 57.446 55.300 -0.203 0.000 1.125 88 M CB -0.662 31.945 32.600 0.013 0.000 1.339 88 M HN 0.441 nan 8.290 nan 0.000 0.409 89 C N 0.472 119.693 119.300 -0.131 0.000 2.425 89 C HA -0.124 3.832 4.460 -0.839 0.000 0.277 89 C C 2.690 177.631 174.990 -0.081 0.000 1.280 89 C CA 1.330 60.311 59.018 -0.062 0.000 1.744 89 C CB -0.931 26.809 27.740 0.001 0.000 1.989 89 C HN 0.599 nan 8.230 nan 0.000 0.491 90 K N 0.958 121.087 120.400 -0.451 0.000 2.007 90 K HA -0.091 3.725 4.320 -0.839 0.000 0.206 90 K C 1.895 178.151 176.600 -0.574 0.000 1.047 90 K CA 2.156 57.908 56.287 -0.891 0.000 0.937 90 K CB -0.723 30.956 32.500 -1.368 0.000 0.718 90 K HN 0.369 nan 8.250 nan 0.000 0.438 91 T N 0.252 114.455 114.554 -0.585 0.000 2.708 91 T HA -0.069 3.777 4.350 -0.839 0.000 0.266 91 T C 1.688 176.184 174.700 -0.341 0.000 1.037 91 T CA 1.349 63.132 62.100 -0.528 0.000 1.146 91 T CB -1.169 67.211 68.868 -0.812 0.000 0.865 91 T HN 0.522 nan 8.240 nan 0.000 0.435 92 G N 2.934 111.563 108.800 -0.284 0.000 3.086 92 G HA2 -0.336 3.121 3.960 -0.839 0.000 0.290 92 G HA3 -0.336 3.121 3.960 -0.839 0.000 0.290 92 G C -0.640 174.182 174.900 -0.131 0.000 1.055 92 G CA 1.783 46.791 45.100 -0.153 0.000 0.824 92 G HN 0.390 nan 8.290 nan 0.000 0.953 93 P HA -0.120 nan 4.420 nan 0.000 0.215 93 P C 1.747 178.970 177.300 -0.130 0.000 1.163 93 P CA 1.878 64.907 63.100 -0.118 0.000 0.894 93 P CB -0.146 31.493 31.700 -0.101 0.000 0.791 94 E N -0.485 119.632 120.200 -0.137 0.000 2.077 94 E HA -0.205 3.642 4.350 -0.839 0.000 0.193 94 E C 1.930 178.458 176.600 -0.120 0.000 0.989 94 E CA 1.344 57.669 56.400 -0.125 0.000 0.800 94 E CB -0.515 29.112 29.700 -0.122 0.000 0.746 94 E HN 0.059 nan 8.360 nan 0.000 0.452 95 A N 1.162 123.905 122.820 -0.130 0.000 1.940 95 A HA -0.165 3.652 4.320 -0.839 0.000 0.219 95 A C 2.059 179.599 177.584 -0.073 0.000 1.176 95 A CA 1.229 53.202 52.037 -0.105 0.000 0.631 95 A CB -0.343 18.578 19.000 -0.131 0.000 0.814 95 A HN 0.286 nan 8.150 nan 0.000 0.446 96 I N -0.330 120.195 120.570 -0.075 0.000 2.339 96 I HA -0.099 3.568 4.170 -0.839 0.000 0.245 96 I C 2.428 178.521 176.117 -0.039 0.000 1.096 96 I CA 0.766 62.049 61.300 -0.028 0.000 1.408 96 I CB -1.509 36.465 38.000 -0.044 0.000 1.092 96 I HN 0.262 nan 8.210 nan 0.000 0.423 97 L N 0.571 121.717 121.223 -0.128 0.000 2.137 97 L HA -0.266 3.570 4.340 -0.839 0.000 0.213 97 L C 2.495 179.175 176.870 -0.318 0.000 1.085 97 L CA 1.451 56.155 54.840 -0.227 0.000 0.760 97 L CB -0.574 41.330 42.059 -0.259 0.000 0.893 97 L HN 0.361 nan 8.230 nan 0.000 0.434 98 E N 0.455 120.546 120.200 -0.182 0.000 2.085 98 E HA -0.233 3.614 4.350 -0.839 0.000 0.194 98 E C 2.319 178.897 176.600 -0.036 0.000 0.994 98 E CA 1.100 57.439 56.400 -0.102 0.000 0.801 98 E CB -0.028 29.645 29.700 -0.045 0.000 0.743 98 E HN 0.482 nan 8.360 nan 0.000 0.453 99 L N 0.768 121.987 121.223 -0.006 0.000 2.083 99 L HA -0.162 3.674 4.340 -0.839 0.000 0.209 99 L C 2.739 179.640 176.870 0.052 0.000 1.083 99 L CA 0.972 55.828 54.840 0.027 0.000 0.752 99 L CB -0.537 41.553 42.059 0.051 0.000 0.899 99 L HN 0.170 nan 8.230 nan 0.000 0.433 100 E N 0.416 120.686 120.200 0.117 0.000 2.110 100 E HA -0.233 3.613 4.350 -0.839 0.000 0.193 100 E C 2.008 178.696 176.600 0.146 0.000 0.988 100 E CA 1.542 58.044 56.400 0.170 0.000 0.804 100 E CB -0.101 29.712 29.700 0.189 0.000 0.745 100 E HN 0.649 nan 8.360 nan 0.000 0.458 101 H N -1.010 118.092 119.070 0.053 0.000 2.491 101 H HA 0.009 4.062 4.556 -0.839 0.000 0.290 101 H C 2.010 177.339 175.328 0.003 0.000 1.050 101 H CA 0.761 56.822 56.048 0.020 0.000 1.309 101 H CB 0.100 29.867 29.762 0.009 0.000 1.392 101 H HN 0.141 nan 8.280 nan 0.000 0.554 102 M N -0.722 118.944 119.600 0.110 0.000 2.562 102 M HA 0.053 4.029 4.480 -0.839 0.000 0.257 102 M C 1.397 177.704 176.300 0.012 0.000 1.099 102 M CA 0.965 56.287 55.300 0.037 0.000 1.099 102 M CB 0.880 33.483 32.600 0.005 0.000 1.427 102 M HN 0.529 nan 8.290 nan 0.000 0.489 103 G N 0.883 109.697 108.800 0.023 0.000 2.192 103 G HA2 -0.190 3.266 3.960 -0.839 0.000 0.193 103 G HA3 -0.190 3.266 3.960 -0.839 0.000 0.193 103 G C -0.006 174.869 174.900 -0.041 0.000 0.999 103 G CA -0.588 44.515 45.100 0.005 0.000 0.659 103 G HN 0.376 nan 8.290 nan 0.000 0.503 104 L N 2.726 123.890 121.223 -0.099 0.000 2.640 104 L HA 0.260 4.097 4.340 -0.839 0.000 0.280 104 L C -1.158 175.556 176.870 -0.261 0.000 1.229 104 L CA -0.600 54.090 54.840 -0.249 0.000 0.919 104 L CB 0.703 42.486 42.059 -0.459 0.000 1.168 104 L HN 0.020 nan 8.230 nan 0.000 0.496 105 P HA 0.100 nan 4.420 nan 0.000 0.214 105 P C -0.546 176.715 177.300 -0.065 0.000 1.826 105 P CA -0.303 62.740 63.100 -0.095 0.000 0.977 105 P CB -0.318 31.354 31.700 -0.047 0.000 1.930 106 F N 0.445 120.411 119.950 0.027 0.000 2.626 106 F HA -0.013 4.010 4.527 -0.840 0.000 0.354 106 F C 1.754 177.576 175.800 0.038 0.000 1.168 106 F CA 0.819 58.840 58.000 0.035 0.000 1.368 106 F CB -0.046 38.972 39.000 0.030 0.000 1.092 106 F HN 0.066 nan 8.300 nan 0.000 0.612 107 S N 2.497 118.369 115.700 0.288 0.000 2.608 107 S HA 0.487 4.453 4.470 -0.839 0.000 0.261 107 S C 0.028 174.725 174.600 0.161 0.000 1.314 107 S CA -0.701 57.583 58.200 0.140 0.000 0.992 107 S CB 0.564 63.776 63.200 0.019 0.000 0.935 107 S HN 0.323 nan 8.310 nan 0.000 0.564 108 R N 0.648 121.195 120.500 0.078 0.000 2.744 108 R HA 0.481 4.317 4.340 -0.839 0.000 0.279 108 R C -0.888 175.471 176.300 0.098 0.000 0.977 108 R CA -0.630 55.527 56.100 0.095 0.000 0.906 108 R CB 0.794 31.130 30.300 0.061 0.000 1.197 108 R HN 0.509 nan 8.270 nan 0.000 0.463 109 L N 1.508 122.802 121.223 0.118 0.000 2.456 109 L HA 0.152 3.988 4.340 -0.839 0.000 0.257 109 L C 1.118 178.023 176.870 0.058 0.000 1.162 109 L CA -0.471 54.433 54.840 0.105 0.000 0.808 109 L CB 0.533 42.642 42.059 0.082 0.000 1.136 109 L HN 0.480 nan 8.230 nan 0.000 0.466 110 D N 0.484 120.913 120.400 0.049 0.000 2.182 110 D HA -0.190 3.946 4.640 -0.839 0.000 0.201 110 D C 1.230 177.546 176.300 0.026 0.000 0.986 110 D CA 1.393 55.412 54.000 0.032 0.000 0.847 110 D CB -0.243 40.575 40.800 0.028 0.000 0.942 110 D HN 0.647 nan 8.370 nan 0.000 0.467 111 D N -1.186 119.230 120.400 0.026 0.000 2.349 111 D HA 0.119 4.255 4.640 -0.839 0.000 0.224 111 D C 1.539 177.850 176.300 0.019 0.000 1.029 111 D CA 0.771 54.782 54.000 0.020 0.000 0.879 111 D CB -0.026 40.783 40.800 0.015 0.000 0.906 111 D HN 0.246 nan 8.370 nan 0.000 0.528 112 G N -0.125 108.691 108.800 0.026 0.000 2.194 112 G HA2 -0.277 3.179 3.960 -0.839 0.000 0.236 112 G HA3 -0.277 3.179 3.960 -0.839 0.000 0.236 112 G C 0.422 175.339 174.900 0.029 0.000 0.987 112 G CA -0.132 44.985 45.100 0.028 0.000 0.635 112 G HN 0.444 nan 8.290 nan 0.000 0.520 113 R N -0.234 120.276 120.500 0.017 0.000 2.583 113 R HA 0.604 4.441 4.340 -0.839 0.000 0.268 113 R C 0.767 177.065 176.300 -0.004 0.000 1.101 113 R CA -0.689 55.408 56.100 -0.006 0.000 1.180 113 R CB 0.669 30.951 30.300 -0.029 0.000 1.128 113 R HN 0.253 nan 8.270 nan 0.000 0.568 114 I N 2.085 122.613 120.570 -0.069 0.000 2.668 114 I HA -0.128 3.539 4.170 -0.839 0.000 0.285 114 I C 0.246 176.322 176.117 -0.069 0.000 1.168 114 I CA 0.248 61.473 61.300 -0.125 0.000 1.424 114 I CB -0.083 37.667 38.000 -0.415 0.000 1.377 114 I HN 0.421 nan 8.210 nan 0.000 0.560 115 Y N 7.467 127.713 120.300 -0.091 0.000 2.610 115 Y HA 0.057 4.103 4.550 -0.840 0.000 0.332 115 Y C -0.033 175.808 175.900 -0.098 0.000 1.201 115 Y CA 0.166 58.230 58.100 -0.060 0.000 1.465 115 Y CB 0.335 38.794 38.460 -0.001 0.000 1.283 115 Y HN 0.504 nan 8.280 nan 0.000 0.563 116 Q N 6.390 125.771 119.800 -0.698 0.000 2.321 116 Q HA 0.398 4.235 4.340 -0.839 0.000 0.270 116 Q C -1.115 174.406 176.000 -0.799 0.000 1.032 116 Q CA -1.129 54.311 55.803 -0.605 0.000 0.784 116 Q CB 2.014 30.529 28.738 -0.371 0.000 1.264 116 Q HN 0.771 nan 8.270 nan 0.000 0.448 117 R N 1.172 121.355 120.500 -0.527 0.000 2.732 117 R HA 0.704 4.540 4.340 -0.839 0.000 0.278 117 R C -2.782 173.505 176.300 -0.022 0.000 0.976 117 R CA -2.145 53.801 56.100 -0.257 0.000 0.963 117 R CB 0.710 31.021 30.300 0.019 0.000 1.150 117 R HN 0.189 nan 8.270 nan 0.000 0.478 118 P HA 0.132 nan 4.420 nan 0.000 0.269 118 P C -1.324 176.145 177.300 0.282 0.000 1.215 118 P CA 0.042 63.218 63.100 0.127 0.000 0.780 118 P CB 0.315 32.063 31.700 0.080 0.000 0.898 119 F N -0.485 119.453 119.950 -0.019 0.000 2.741 119 F HA 0.463 4.491 4.527 -0.831 0.000 0.311 119 F C 0.225 176.002 175.800 -0.039 0.000 1.149 119 F CA -0.517 57.468 58.000 -0.023 0.000 0.930 119 F CB 1.178 40.166 39.000 -0.021 0.000 1.312 119 F HN 0.335 nan 8.300 nan 0.000 0.450 120 G N 1.032 109.772 108.800 -0.099 0.000 2.202 120 G HA2 0.398 3.855 3.960 -0.839 0.000 0.251 120 G HA3 0.398 3.855 3.960 -0.839 0.000 0.251 120 G C 0.673 175.557 174.900 -0.028 0.000 1.219 120 G CA 0.501 45.525 45.100 -0.127 0.000 0.943 120 G HN 1.747 nan 8.290 nan 0.000 0.465 121 G N 1.610 110.372 108.800 -0.065 0.000 2.326 121 G HA2 -0.193 3.263 3.960 -0.839 0.000 0.286 121 G HA3 -0.193 3.263 3.960 -0.839 0.000 0.286 121 G C -0.012 174.964 174.900 0.127 0.000 1.096 121 G CA 0.266 45.389 45.100 0.039 0.000 1.003 121 G HN 0.924 nan 8.290 nan 0.000 0.503 122 Q N -0.166 119.700 119.800 0.111 0.000 2.292 122 Q HA 0.621 4.458 4.340 -0.839 0.000 0.270 122 Q C -0.268 175.779 176.000 0.078 0.000 1.024 122 Q CA -0.187 55.686 55.803 0.117 0.000 0.768 122 Q CB 2.226 31.030 28.738 0.109 0.000 1.250 122 Q HN 0.803 nan 8.270 nan 0.000 0.447 123 S N 1.395 117.135 115.700 0.067 0.000 2.546 123 S HA 0.591 4.558 4.470 -0.839 0.000 0.274 123 S C -0.780 173.698 174.600 -0.203 0.000 1.121 123 S CA -1.132 57.036 58.200 -0.054 0.000 0.887 123 S CB 1.891 65.076 63.200 -0.024 0.000 1.094 123 S HN 0.413 nan 8.310 nan 0.000 0.474 124 K N 1.218 121.364 120.400 -0.424 0.000 2.107 124 K HA 0.375 4.191 4.320 -0.839 0.000 0.251 124 K C -0.242 175.555 176.600 -1.337 0.000 1.012 124 K CA -0.603 55.070 56.287 -1.024 0.000 0.920 124 K CB -0.058 31.939 32.500 -0.839 0.000 1.033 124 K HN 0.802 nan 8.250 nan 0.000 0.478 125 N N 0.718 117.967 118.700 -2.417 0.000 2.725 125 N HA -0.215 4.021 4.740 -0.839 0.000 0.251 125 N C -1.247 173.848 175.510 -0.692 0.000 1.031 125 N CA 0.567 52.847 53.050 -1.282 0.000 0.720 125 N CB -1.610 36.520 38.487 -0.595 0.000 0.930 125 N HN 0.583 nan 8.380 nan 0.000 0.543 126 F N -1.761 117.739 119.950 -0.750 0.000 2.807 126 F HA -0.166 3.857 4.527 -0.840 0.000 0.297 126 F C 1.434 176.652 175.800 -0.970 0.000 1.024 126 F CA 1.123 58.529 58.000 -0.989 0.000 1.008 126 F CB -1.767 36.844 39.000 -0.648 0.000 1.142 126 F HN 0.504 nan 8.300 nan 0.000 0.829 127 G N -1.067 107.472 108.800 -0.434 0.000 2.134 127 G HA2 0.148 3.604 3.960 -0.839 0.000 0.209 127 G HA3 0.148 3.604 3.960 -0.839 0.000 0.209 127 G C 0.725 175.576 174.900 -0.081 0.000 0.993 127 G CA -0.104 44.973 45.100 -0.039 0.000 0.669 127 G HN 1.317 nan 8.290 nan 0.000 0.519 128 G N -0.450 108.233 108.800 -0.196 0.000 3.137 128 G HA2 0.552 4.008 3.960 -0.839 0.000 0.163 128 G HA3 0.552 4.008 3.960 -0.839 0.000 0.163 128 G C 0.342 175.155 174.900 -0.145 0.000 1.602 128 G CA 0.417 45.410 45.100 -0.178 0.000 1.067 128 G HN 0.708 nan 8.290 nan 0.000 0.568 129 E N -0.129 119.964 120.200 -0.178 0.000 2.409 129 E HA 0.127 3.974 4.350 -0.839 0.000 0.257 129 E C -0.124 176.389 176.600 -0.144 0.000 1.150 129 E CA -0.322 55.992 56.400 -0.143 0.000 0.942 129 E CB 0.488 30.096 29.700 -0.153 0.000 0.979 129 E HN 0.250 nan 8.360 nan 0.000 0.447 130 Q N 1.503 121.242 119.800 -0.101 0.000 2.271 130 Q HA 0.260 4.097 4.340 -0.839 0.000 0.273 130 Q C -1.227 174.701 176.000 -0.120 0.000 1.051 130 Q CA 0.149 55.908 55.803 -0.074 0.000 0.901 130 Q CB 0.962 29.677 28.738 -0.038 0.000 1.174 130 Q HN 0.520 nan 8.270 nan 0.000 0.385 131 A N 3.403 126.176 122.820 -0.078 0.000 2.252 131 A HA 0.844 4.660 4.320 -0.839 0.000 0.305 131 A C -0.828 176.815 177.584 0.099 0.000 1.097 131 A CA -0.181 51.824 52.037 -0.053 0.000 0.849 131 A CB 1.057 20.112 19.000 0.092 0.000 1.142 131 A HN 0.934 nan 8.150 nan 0.000 0.499 132 A N 0.621 123.617 122.820 0.293 0.000 2.466 132 A HA 0.594 4.410 4.320 -0.839 0.000 0.291 132 A C 0.184 177.804 177.584 0.060 0.000 1.234 132 A CA -0.526 51.595 52.037 0.139 0.000 0.752 132 A CB 0.231 19.279 19.000 0.081 0.000 1.153 132 A HN 1.055 nan 8.150 nan 0.000 0.458 133 R N 0.705 121.187 120.500 -0.029 0.000 2.590 133 R HA 0.213 4.050 4.340 -0.839 0.000 0.410 133 R C -0.822 175.342 176.300 -0.227 0.000 1.010 133 R CA -0.081 55.926 56.100 -0.155 0.000 1.155 133 R CB 0.162 30.375 30.300 -0.146 0.000 1.455 133 R HN 0.318 nan 8.270 nan 0.000 0.567 134 T N 1.836 116.252 114.554 -0.230 0.000 2.794 134 T HA 0.468 4.315 4.350 -0.839 0.000 0.304 134 T C 0.088 174.626 174.700 -0.271 0.000 0.973 134 T CA -0.225 61.684 62.100 -0.320 0.000 0.972 134 T CB 1.079 69.616 68.868 -0.551 0.000 0.952 134 T HN 0.399 nan 8.240 nan 0.000 0.509 135 A N 3.252 125.924 122.820 -0.246 0.000 2.440 135 A HA 0.755 4.571 4.320 -0.839 0.000 0.251 135 A C 0.396 177.983 177.584 0.005 0.000 1.089 135 A CA -0.515 51.386 52.037 -0.226 0.000 0.779 135 A CB 0.156 18.898 19.000 -0.429 0.000 1.022 135 A HN 1.008 nan 8.150 nan 0.000 0.492 136 A N 0.985 123.918 122.820 0.188 0.000 2.587 136 A HA 0.785 4.601 4.320 -0.839 0.000 0.293 136 A C -0.384 177.442 177.584 0.404 0.000 1.087 136 A CA 0.037 52.261 52.037 0.313 0.000 0.692 136 A CB 1.234 20.387 19.000 0.255 0.000 1.291 136 A HN 2.292 nan 8.150 nan 0.000 0.407 137 A N 1.214 124.186 122.820 0.253 0.000 2.394 137 A HA 0.777 4.593 4.320 -0.839 0.000 0.333 137 A C 0.909 178.548 177.584 0.091 0.000 1.397 137 A CA 0.751 52.876 52.037 0.146 0.000 0.884 137 A CB -0.724 18.304 19.000 0.047 0.000 1.147 137 A HN 2.840 nan 8.150 nan 0.000 0.505 138 A N 2.461 125.319 122.820 0.063 0.000 5.318 138 A HA -0.281 3.536 4.320 -0.839 0.000 0.329 138 A C 0.871 178.500 177.584 0.076 0.000 1.789 138 A CA 1.941 53.995 52.037 0.028 0.000 0.711 138 A CB -1.346 17.653 19.000 -0.002 0.000 1.398 138 A HN 1.609 nan 8.150 nan 0.000 0.392 139 D N -0.630 119.803 120.400 0.056 0.000 2.788 139 D HA 0.344 4.481 4.640 -0.839 0.000 0.289 139 D C 0.505 176.838 176.300 0.056 0.000 1.340 139 D CA -0.039 54.007 54.000 0.076 0.000 0.831 139 D CB -0.184 40.659 40.800 0.071 0.000 1.103 139 D HN 0.572 nan 8.370 nan 0.000 0.476 140 R N -0.215 120.315 120.500 0.050 0.000 2.652 140 R HA 0.207 4.044 4.340 -0.839 0.000 0.372 140 R C 0.720 177.073 176.300 0.088 0.000 1.104 140 R CA -0.094 56.033 56.100 0.045 0.000 1.072 140 R CB 0.446 30.743 30.300 -0.006 0.000 1.367 140 R HN 0.010 nan 8.270 nan 0.000 0.577 141 T N 0.016 114.618 114.554 0.079 0.000 2.720 141 T HA -0.141 3.706 4.350 -0.839 0.000 0.268 141 T C 1.962 176.692 174.700 0.050 0.000 1.037 141 T CA 1.874 64.013 62.100 0.064 0.000 1.144 141 T CB -0.117 68.800 68.868 0.083 0.000 0.864 141 T HN 0.541 nan 8.240 nan 0.000 0.444 142 G N 0.477 109.315 108.800 0.063 0.000 2.421 142 G HA2 -0.301 3.156 3.960 -0.839 0.000 0.216 142 G HA3 -0.301 3.156 3.960 -0.839 0.000 0.216 142 G C 1.236 176.183 174.900 0.079 0.000 1.171 142 G CA 1.379 46.506 45.100 0.046 0.000 0.775 142 G HN 0.639 nan 8.290 nan 0.000 0.543 143 H N 1.163 120.254 119.070 0.035 0.000 2.289 143 H HA -0.029 4.023 4.556 -0.839 0.000 0.296 143 H C 2.729 178.124 175.328 0.112 0.000 1.091 143 H CA 2.502 58.616 56.048 0.110 0.000 1.274 143 H CB -0.340 29.465 29.762 0.071 0.000 1.364 143 H HN 0.297 nan 8.280 nan 0.000 0.490 144 A N 0.534 123.426 122.820 0.121 0.000 1.892 144 A HA -0.175 3.641 4.320 -0.839 0.000 0.218 144 A C 2.474 180.007 177.584 -0.086 0.000 1.188 144 A CA 1.831 53.861 52.037 -0.012 0.000 0.631 144 A CB -1.094 17.873 19.000 -0.056 0.000 0.822 144 A HN 0.526 nan 8.150 nan 0.000 0.447 145 L N -1.048 120.129 121.223 -0.078 0.000 2.017 145 L HA -0.104 3.732 4.340 -0.839 0.000 0.208 145 L C 2.267 179.099 176.870 -0.063 0.000 1.073 145 L CA 2.095 56.886 54.840 -0.083 0.000 0.745 145 L CB -0.585 41.445 42.059 -0.047 0.000 0.894 145 L HN 0.312 nan 8.230 nan 0.000 0.432 146 L N -0.796 120.390 121.223 -0.063 0.000 2.046 146 L HA -0.219 3.618 4.340 -0.839 0.000 0.208 146 L C 2.625 179.411 176.870 -0.140 0.000 1.077 146 L CA 1.808 56.583 54.840 -0.109 0.000 0.747 146 L CB -0.907 41.064 42.059 -0.147 0.000 0.896 146 L HN 0.423 nan 8.230 nan 0.000 0.432 147 H N -1.633 117.342 119.070 -0.158 0.000 2.457 147 H HA -0.071 3.981 4.556 -0.840 0.000 0.294 147 H C 1.919 177.221 175.328 -0.044 0.000 1.064 147 H CA 1.679 57.658 56.048 -0.116 0.000 1.330 147 H CB 0.050 29.653 29.762 -0.265 0.000 1.395 147 H HN 0.382 nan 8.280 nan 0.000 0.541 148 T N 0.926 115.491 114.554 0.018 0.000 2.812 148 T HA -0.040 3.807 4.350 -0.839 0.000 0.264 148 T C 2.396 177.082 174.700 -0.023 0.000 1.042 148 T CA 0.471 62.561 62.100 -0.016 0.000 1.140 148 T CB -0.144 68.687 68.868 -0.063 0.000 0.870 148 T HN 0.169 nan 8.240 nan 0.000 0.445 149 L N -0.234 120.973 121.223 -0.028 0.000 2.141 149 L HA -0.047 3.789 4.340 -0.839 0.000 0.209 149 L C 2.342 179.199 176.870 -0.022 0.000 1.094 149 L CA 1.205 56.026 54.840 -0.032 0.000 0.763 149 L CB -0.534 41.505 42.059 -0.033 0.000 0.908 149 L HN 0.245 nan 8.230 nan 0.000 0.437 150 Y N 1.110 121.325 120.300 -0.142 0.000 2.145 150 Y HA -0.299 3.747 4.550 -0.839 0.000 0.286 150 Y C 2.650 178.487 175.900 -0.106 0.000 1.145 150 Y CA 1.630 59.634 58.100 -0.161 0.000 1.148 150 Y CB -0.349 37.975 38.460 -0.227 0.000 0.981 150 Y HN 0.186 nan 8.280 nan 0.000 0.507 151 Q N -0.621 119.108 119.800 -0.118 0.000 2.181 151 Q HA -0.252 3.585 4.340 -0.839 0.000 0.205 151 Q C 2.139 178.015 176.000 -0.206 0.000 0.980 151 Q CA 1.592 57.291 55.803 -0.173 0.000 0.862 151 Q CB -0.155 28.555 28.738 -0.047 0.000 0.905 151 Q HN 0.498 nan 8.270 nan 0.000 0.429 152 Q N 0.059 119.766 119.800 -0.155 0.000 2.187 152 Q HA -0.016 3.820 4.340 -0.839 0.000 0.199 152 Q C 1.561 177.454 176.000 -0.178 0.000 0.957 152 Q CA 0.773 56.494 55.803 -0.137 0.000 0.857 152 Q CB -0.067 28.619 28.738 -0.087 0.000 0.929 152 Q HN 0.442 nan 8.270 nan 0.000 0.453 153 N N 0.269 118.841 118.700 -0.213 0.000 2.396 153 N HA -0.024 4.212 4.740 -0.839 0.000 0.180 153 N C 1.831 177.158 175.510 -0.305 0.000 1.028 153 N CA 0.442 53.358 53.050 -0.222 0.000 0.893 153 N CB 0.222 38.601 38.487 -0.180 0.000 0.967 153 N HN 0.237 nan 8.380 nan 0.000 0.440 154 L N 1.096 122.068 121.223 -0.418 0.000 2.068 154 L HA -0.086 3.750 4.340 -0.839 0.000 0.204 154 L C 2.536 179.169 176.870 -0.395 0.000 1.076 154 L CA 0.918 55.514 54.840 -0.407 0.000 0.753 154 L CB -0.342 41.457 42.059 -0.434 0.000 0.910 154 L HN 0.065 nan 8.230 nan 0.000 0.439 155 K N 0.427 120.627 120.400 -0.334 0.000 2.113 155 K HA -0.262 3.555 4.320 -0.839 0.000 0.208 155 K C 1.673 177.998 176.600 -0.460 0.000 1.047 155 K CA 1.793 57.875 56.287 -0.341 0.000 0.928 155 K CB -0.120 32.258 32.500 -0.202 0.000 0.716 155 K HN 0.291 nan 8.250 nan 0.000 0.446 156 N N -0.424 118.076 118.700 -0.333 0.000 2.270 156 N HA -0.081 4.156 4.740 -0.839 0.000 0.198 156 N C -0.798 174.638 175.510 -0.123 0.000 1.117 156 N CA 0.083 53.010 53.050 -0.205 0.000 0.845 156 N CB 0.224 38.640 38.487 -0.118 0.000 0.980 156 N HN 0.266 nan 8.380 nan 0.000 0.486 157 H N -0.296 118.728 119.070 -0.078 0.000 2.692 157 H HA -0.119 3.933 4.556 -0.839 0.000 0.316 157 H C -0.519 174.771 175.328 -0.064 0.000 1.176 157 H CA 0.873 56.880 56.048 -0.068 0.000 1.142 157 H CB -2.338 27.397 29.762 -0.046 0.000 1.475 157 H HN 0.183 nan 8.280 nan 0.000 0.423 158 T N 1.281 115.825 114.554 -0.018 0.000 2.901 158 T HA 0.131 3.977 4.350 -0.839 0.000 0.301 158 T C 0.966 175.641 174.700 -0.041 0.000 1.012 158 T CA -0.017 62.063 62.100 -0.033 0.000 1.135 158 T CB 0.861 69.685 68.868 -0.073 0.000 0.936 158 T HN 0.224 nan 8.240 nan 0.000 0.539 159 T N 4.879 119.410 114.554 -0.038 0.000 2.750 159 T HA 0.265 4.111 4.350 -0.839 0.000 0.286 159 T C 0.344 174.941 174.700 -0.172 0.000 0.911 159 T CA 0.035 62.076 62.100 -0.099 0.000 1.130 159 T CB -0.570 68.298 68.868 -0.000 0.000 0.873 159 T HN 0.364 nan 8.240 nan 0.000 0.536 160 I N 3.582 124.023 120.570 -0.215 0.000 2.378 160 I HA 0.351 4.018 4.170 -0.839 0.000 0.291 160 I C -0.465 175.503 176.117 -0.248 0.000 0.992 160 I CA -0.788 60.422 61.300 -0.149 0.000 1.154 160 I CB 1.341 39.317 38.000 -0.040 0.000 1.315 160 I HN 0.524 nan 8.210 nan 0.000 0.448 161 F N 4.804 124.676 119.950 -0.130 0.000 2.359 161 F HA 0.210 4.233 4.527 -0.839 0.000 0.355 161 F C 1.051 176.926 175.800 0.125 0.000 1.132 161 F CA -0.334 57.592 58.000 -0.124 0.000 1.246 161 F CB 0.851 39.492 39.000 -0.598 0.000 1.569 161 F HN 0.391 nan 8.300 nan 0.000 0.561 162 S N 2.117 118.016 115.700 0.332 0.000 2.564 162 S HA 0.156 4.122 4.470 -0.839 0.000 0.278 162 S C 0.443 175.322 174.600 0.464 0.000 1.333 162 S CA -0.186 58.211 58.200 0.328 0.000 1.048 162 S CB 0.294 63.673 63.200 0.299 0.000 0.900 162 S HN 0.726 nan 8.310 nan 0.000 0.505 163 E N 1.589 121.997 120.200 0.347 0.000 2.246 163 E HA -0.185 3.661 4.350 -0.839 0.000 0.211 163 E C -1.697 175.015 176.600 0.187 0.000 1.278 163 E CA 0.676 57.225 56.400 0.248 0.000 0.694 163 E CB -1.227 28.607 29.700 0.223 0.000 1.166 163 E HN 0.605 nan 8.360 nan 0.000 0.370 164 W N 0.718 122.086 121.300 0.113 0.000 2.656 164 W HA 0.442 4.598 4.660 -0.840 0.000 0.327 164 W C -0.233 176.339 176.519 0.089 0.000 1.041 164 W CA -0.683 56.730 57.345 0.112 0.000 1.229 164 W CB 0.865 30.392 29.460 0.112 0.000 1.397 164 W HN 0.193 nan 8.180 nan 0.000 0.479 165 Y N 3.084 123.467 120.300 0.139 0.000 2.353 165 Y HA 0.639 4.685 4.550 -0.840 0.000 0.340 165 Y C 0.286 176.250 175.900 0.107 0.000 0.972 165 Y CA -1.081 57.059 58.100 0.067 0.000 1.157 165 Y CB 0.572 39.018 38.460 -0.025 0.000 1.157 165 Y HN 0.519 nan 8.280 nan 0.000 0.495 166 A N 7.208 129.842 122.820 -0.311 0.000 2.492 166 A HA 0.249 4.066 4.320 -0.839 0.000 0.254 166 A C 0.270 177.705 177.584 -0.248 0.000 1.091 166 A CA -0.128 51.790 52.037 -0.198 0.000 0.768 166 A CB 0.061 18.930 19.000 -0.217 0.000 1.028 166 A HN 1.092 nan 8.150 nan 0.000 0.498 167 L N 1.650 122.890 121.223 0.028 0.000 2.056 167 L HA 0.200 4.036 4.340 -0.839 0.000 0.202 167 L C 0.478 177.380 176.870 0.054 0.000 1.086 167 L CA 0.795 55.703 54.840 0.114 0.000 0.758 167 L CB -0.075 42.083 42.059 0.165 0.000 0.912 167 L HN 0.620 nan 8.230 nan 0.000 0.446 168 D N -1.562 118.867 120.400 0.050 0.000 2.609 168 D HA 0.392 4.528 4.640 -0.839 0.000 0.239 168 D C -1.172 175.146 176.300 0.030 0.000 1.229 168 D CA -0.515 53.505 54.000 0.033 0.000 0.808 168 D CB 2.588 43.412 40.800 0.040 0.000 1.448 168 D HN -0.128 nan 8.370 nan 0.000 0.433 169 L N 0.973 122.208 121.223 0.020 0.000 2.397 169 L HA 0.312 4.148 4.340 -0.839 0.000 0.271 169 L C 0.075 176.951 176.870 0.010 0.000 1.148 169 L CA -0.624 54.232 54.840 0.026 0.000 0.825 169 L CB 0.975 43.046 42.059 0.020 0.000 1.117 169 L HN 0.023 nan 8.230 nan 0.000 0.456 170 V N 3.704 123.625 119.914 0.011 0.000 2.383 170 V HA 0.260 3.876 4.120 -0.839 0.000 0.275 170 V C 0.198 176.284 176.094 -0.012 0.000 1.036 170 V CA -0.659 61.611 62.300 -0.050 0.000 0.889 170 V CB 1.151 32.869 31.823 -0.174 0.000 0.985 170 V HN 0.641 nan 8.190 nan 0.000 0.459 171 K N 4.072 124.456 120.400 -0.025 0.000 2.182 171 K HA 0.407 4.223 4.320 -0.839 0.000 0.262 171 K C -0.023 176.569 176.600 -0.012 0.000 0.957 171 K CA -0.686 55.596 56.287 -0.009 0.000 0.842 171 K CB 1.506 33.998 32.500 -0.013 0.000 1.099 171 K HN 0.839 nan 8.250 nan 0.000 0.438 172 N N 1.091 119.794 118.700 0.006 0.000 2.374 172 N HA -0.090 4.146 4.740 -0.839 0.000 0.284 172 N C 0.572 176.081 175.510 -0.001 0.000 1.280 172 N CA -0.092 52.962 53.050 0.007 0.000 0.963 172 N CB 0.251 38.753 38.487 0.025 0.000 1.141 172 N HN 0.610 nan 8.380 nan 0.000 0.565 173 Q N -1.968 117.832 119.800 0.000 0.000 2.482 173 Q HA 0.029 3.865 4.340 -0.839 0.000 0.209 173 Q C -0.575 175.423 176.000 -0.004 0.000 0.961 173 Q CA 0.943 56.743 55.803 -0.004 0.000 0.945 173 Q CB -0.120 28.617 28.738 -0.003 0.000 1.012 173 Q HN 0.472 nan 8.270 nan 0.000 0.515 174 D N 0.175 120.574 120.400 -0.002 0.000 2.369 174 D HA 0.132 4.268 4.640 -0.839 0.000 0.211 174 D C 0.733 177.027 176.300 -0.009 0.000 1.077 174 D CA 0.710 54.707 54.000 -0.005 0.000 0.842 174 D CB 0.939 41.739 40.800 -0.001 0.000 0.947 174 D HN 0.495 nan 8.370 nan 0.000 0.509 175 G N 1.013 109.807 108.800 -0.010 0.000 2.143 175 G HA2 -0.196 3.261 3.960 -0.839 0.000 0.249 175 G HA3 -0.196 3.261 3.960 -0.839 0.000 0.249 175 G C 0.450 175.341 174.900 -0.014 0.000 0.981 175 G CA 0.189 45.280 45.100 -0.015 0.000 0.665 175 G HN 0.574 nan 8.290 nan 0.000 0.528 176 A N -0.385 122.432 122.820 -0.005 0.000 2.303 176 A HA 0.787 4.603 4.320 -0.839 0.000 0.317 176 A C 0.417 178.011 177.584 0.016 0.000 1.149 176 A CA -0.167 51.871 52.037 0.000 0.000 0.822 176 A CB 1.515 20.520 19.000 0.009 0.000 1.131 176 A HN 1.092 nan 8.150 nan 0.000 0.493 177 V N 2.626 122.553 119.914 0.021 0.000 2.455 177 V HA 0.279 3.896 4.120 -0.839 0.000 0.273 177 V C 0.594 176.737 176.094 0.082 0.000 1.045 177 V CA 0.308 62.635 62.300 0.044 0.000 0.976 177 V CB 1.108 32.954 31.823 0.038 0.000 0.993 177 V HN 0.962 nan 8.190 nan 0.000 0.475 178 V N 2.409 122.389 119.914 0.110 0.000 2.778 178 V HA 0.899 4.515 4.120 -0.839 0.000 0.356 178 V C 0.467 176.714 176.094 0.256 0.000 1.283 178 V CA 0.312 62.708 62.300 0.160 0.000 1.247 178 V CB -0.478 31.440 31.823 0.159 0.000 1.408 178 V HN 1.313 nan 8.190 nan 0.000 0.620 179 G N -0.223 108.711 108.800 0.223 0.000 2.342 179 G HA2 0.234 3.690 3.960 -0.839 0.000 0.220 179 G HA3 0.234 3.690 3.960 -0.839 0.000 0.220 179 G C -0.464 174.591 174.900 0.258 0.000 1.243 179 G CA 0.220 45.491 45.100 0.284 0.000 1.083 179 G HN 2.104 nan 8.290 nan 0.000 0.500 180 C N -1.842 117.656 119.300 0.330 0.000 3.284 180 C HA 0.928 4.885 4.460 -0.839 0.000 0.338 180 C C 0.297 175.479 174.990 0.321 0.000 1.237 180 C CA 0.372 59.523 59.018 0.221 0.000 1.276 180 C CB 1.127 28.934 27.740 0.112 0.000 1.601 180 C HN 2.249 nan 8.230 nan 0.000 0.494 181 T N 0.486 115.162 114.554 0.202 0.000 2.909 181 T HA 0.798 4.645 4.350 -0.839 0.000 0.286 181 T C -0.073 174.783 174.700 0.259 0.000 1.002 181 T CA 0.315 62.555 62.100 0.233 0.000 1.074 181 T CB 1.398 70.339 68.868 0.121 0.000 0.984 181 T HN 2.425 nan 8.240 nan 0.000 0.495 182 A N 1.989 125.024 122.820 0.359 0.000 2.549 182 A HA 0.685 4.501 4.320 -0.839 0.000 0.297 182 A C -1.253 176.595 177.584 0.440 0.000 1.061 182 A CA -1.011 51.269 52.037 0.404 0.000 0.690 182 A CB 1.613 20.919 19.000 0.510 0.000 1.287 182 A HN 1.105 nan 8.150 nan 0.000 0.402 183 L N 1.968 123.388 121.223 0.328 0.000 2.296 183 L HA 0.668 4.504 4.340 -0.839 0.000 0.286 183 L C -0.138 176.671 176.870 -0.102 0.000 1.023 183 L CA -0.410 54.503 54.840 0.122 0.000 0.812 183 L CB 1.134 43.236 42.059 0.072 0.000 1.223 183 L HN 0.872 nan 8.230 nan 0.000 0.421 184 C N 6.502 125.467 119.300 -0.558 0.000 2.540 184 C HA 0.286 4.243 4.460 -0.839 0.000 0.377 184 C C 1.837 176.470 174.990 -0.596 0.000 1.274 184 C CA -0.491 57.811 59.018 -1.193 0.000 1.718 184 C CB -1.517 25.242 27.740 -1.635 0.000 2.391 184 C HN 0.985 nan 8.230 nan 0.000 0.565 185 I N 3.532 123.806 120.570 -0.492 0.000 2.226 185 I HA -0.163 3.503 4.170 -0.839 0.000 0.245 185 I C 2.521 178.394 176.117 -0.408 0.000 1.100 185 I CA 1.827 62.844 61.300 -0.473 0.000 1.374 185 I CB -0.485 37.160 38.000 -0.592 0.000 1.057 185 I HN 0.839 nan 8.210 nan 0.000 0.413 186 E N 0.942 121.022 120.200 -0.199 0.000 2.038 186 E HA -0.269 3.577 4.350 -0.839 0.000 0.195 186 E C 2.052 178.665 176.600 0.022 0.000 1.000 186 E CA 2.413 58.880 56.400 0.111 0.000 0.803 186 E CB 0.035 29.826 29.700 0.152 0.000 0.750 186 E HN 0.585 nan 8.360 nan 0.000 0.448 187 T N -4.400 110.103 114.554 -0.085 0.000 3.014 187 T HA 0.332 4.178 4.350 -0.839 0.000 0.250 187 T C 1.486 176.139 174.700 -0.078 0.000 1.060 187 T CA 0.683 62.750 62.100 -0.054 0.000 1.040 187 T CB 0.794 69.639 68.868 -0.038 0.000 0.971 187 T HN 0.398 nan 8.240 nan 0.000 0.497 188 G N 1.360 110.073 108.800 -0.144 0.000 2.199 188 G HA2 -0.278 3.179 3.960 -0.839 0.000 0.254 188 G HA3 -0.278 3.179 3.960 -0.839 0.000 0.254 188 G C -0.095 174.744 174.900 -0.101 0.000 0.982 188 G CA 0.238 45.266 45.100 -0.121 0.000 0.632 188 G HN 0.819 nan 8.290 nan 0.000 0.529 189 E N 0.304 120.439 120.200 -0.109 0.000 2.481 189 E HA 0.336 4.183 4.350 -0.839 0.000 0.263 189 E C -0.040 176.549 176.600 -0.018 0.000 0.992 189 E CA 0.133 56.509 56.400 -0.040 0.000 0.938 189 E CB 0.545 30.252 29.700 0.012 0.000 0.933 189 E HN 0.205 nan 8.360 nan 0.000 0.453 190 V N 4.982 124.934 119.914 0.063 0.000 2.495 190 V HA 0.414 4.031 4.120 -0.839 0.000 0.298 190 V C -0.249 175.941 176.094 0.159 0.000 1.031 190 V CA -0.651 61.725 62.300 0.127 0.000 0.871 190 V CB 1.766 33.645 31.823 0.093 0.000 0.988 190 V HN 0.459 nan 8.190 nan 0.000 0.432 191 V N 3.909 123.956 119.914 0.222 0.000 3.007 191 V HA 0.432 4.048 4.120 -0.839 0.000 0.311 191 V C -1.440 174.716 176.094 0.103 0.000 1.120 191 V CA -0.868 61.490 62.300 0.096 0.000 0.980 191 V CB 2.521 34.330 31.823 -0.024 0.000 1.033 191 V HN 0.748 nan 8.190 nan 0.000 0.429 192 Y N 3.650 123.881 120.300 -0.115 0.000 2.404 192 Y HA 0.561 4.607 4.550 -0.839 0.000 0.344 192 Y C -0.820 174.977 175.900 -0.173 0.000 0.970 192 Y CA -1.961 56.100 58.100 -0.064 0.000 1.180 192 Y CB 0.657 39.102 38.460 -0.025 0.000 1.138 192 Y HN 0.462 nan 8.280 nan 0.000 0.510 193 F N 6.494 126.486 119.950 0.070 0.000 2.405 193 F HA 0.288 4.312 4.527 -0.839 0.000 0.358 193 F C 0.594 176.253 175.800 -0.234 0.000 1.151 193 F CA -0.298 57.620 58.000 -0.138 0.000 1.161 193 F CB 0.501 39.413 39.000 -0.147 0.000 1.245 193 F HN 0.372 nan 8.300 nan 0.000 0.545 194 K N 3.123 123.274 120.400 -0.415 0.000 2.249 194 K HA 0.779 4.595 4.320 -0.839 0.000 0.280 194 K C -0.786 175.796 176.600 -0.029 0.000 1.033 194 K CA -0.287 55.746 56.287 -0.423 0.000 0.946 194 K CB 0.814 32.943 32.500 -0.620 0.000 1.005 194 K HN 0.708 nan 8.250 nan 0.000 0.469 195 A N 3.667 126.522 122.820 0.057 0.000 2.610 195 A HA 0.380 4.197 4.320 -0.839 0.000 0.291 195 A C -0.440 177.200 177.584 0.093 0.000 1.086 195 A CA -0.848 51.243 52.037 0.091 0.000 0.677 195 A CB 1.452 20.516 19.000 0.106 0.000 1.278 195 A HN 0.882 nan 8.150 nan 0.000 0.414 196 R N -0.015 120.535 120.500 0.084 0.000 2.254 196 R HA 0.449 4.286 4.340 -0.839 0.000 0.195 196 R C 0.476 176.862 176.300 0.144 0.000 0.957 196 R CA 1.233 57.390 56.100 0.096 0.000 1.024 196 R CB 0.556 30.899 30.300 0.073 0.000 0.952 196 R HN 0.832 nan 8.270 nan 0.000 0.484 197 A N 0.598 123.483 122.820 0.109 0.000 2.385 197 A HA 0.488 4.304 4.320 -0.839 0.000 0.290 197 A C -0.896 176.737 177.584 0.082 0.000 1.094 197 A CA -0.592 51.521 52.037 0.128 0.000 0.729 197 A CB 1.283 20.172 19.000 -0.183 0.000 1.194 197 A HN 0.007 nan 8.150 nan 0.000 0.442 198 T N 2.145 116.814 114.554 0.192 0.000 2.758 198 T HA 0.504 4.350 4.350 -0.839 0.000 0.285 198 T C -0.346 174.445 174.700 0.152 0.000 0.981 198 T CA -0.289 61.877 62.100 0.111 0.000 0.965 198 T CB 1.101 70.033 68.868 0.107 0.000 0.927 198 T HN 0.427 nan 8.240 nan 0.000 0.448 199 V N 5.258 125.193 119.914 0.035 0.000 2.357 199 V HA 0.376 3.993 4.120 -0.839 0.000 0.284 199 V C -0.045 176.055 176.094 0.010 0.000 1.018 199 V CA -0.816 61.510 62.300 0.043 0.000 0.841 199 V CB 1.268 33.056 31.823 -0.058 0.000 0.991 199 V HN 0.771 nan 8.190 nan 0.000 0.437 200 L N 4.603 125.847 121.223 0.034 0.000 2.265 200 L HA 0.694 4.531 4.340 -0.839 0.000 0.288 200 L C 0.493 177.359 176.870 -0.008 0.000 1.058 200 L CA -0.092 54.746 54.840 -0.004 0.000 0.809 200 L CB 1.342 43.399 42.059 -0.003 0.000 1.179 200 L HN 0.776 nan 8.230 nan 0.000 0.429 201 A N 1.428 124.232 122.820 -0.028 0.000 3.370 201 A HA 0.328 4.144 4.320 -0.839 0.000 0.295 201 A C 0.464 178.030 177.584 -0.030 0.000 1.030 201 A CA -0.282 51.743 52.037 -0.019 0.000 0.883 201 A CB 0.052 19.043 19.000 -0.016 0.000 1.191 201 A HN 0.688 nan 8.150 nan 0.000 0.507 202 T N -2.226 112.307 114.554 -0.035 0.000 3.176 202 T HA 0.491 4.337 4.350 -0.839 0.000 0.263 202 T C 1.148 175.829 174.700 -0.031 0.000 1.021 202 T CA 0.806 62.881 62.100 -0.041 0.000 0.905 202 T CB -0.291 68.542 68.868 -0.057 0.000 1.057 202 T HN 2.095 nan 8.240 nan 0.000 0.558 203 G N 0.721 109.505 108.800 -0.027 0.000 2.598 203 G HA2 0.092 3.548 3.960 -0.839 0.000 0.269 203 G HA3 0.092 3.548 3.960 -0.839 0.000 0.269 203 G C 0.367 175.219 174.900 -0.081 0.000 1.289 203 G CA -0.408 44.671 45.100 -0.035 0.000 0.926 203 G HN 0.981 nan 8.290 nan 0.000 0.567 204 G N -2.090 106.649 108.800 -0.102 0.000 2.531 204 G HA2 0.708 4.165 3.960 -0.839 0.000 0.253 204 G HA3 0.708 4.165 3.960 -0.839 0.000 0.253 204 G C 0.543 175.429 174.900 -0.023 0.000 1.439 204 G CA 0.943 45.962 45.100 -0.134 0.000 1.056 204 G HN 2.190 nan 8.290 nan 0.000 0.555 205 A N -1.540 121.338 122.820 0.097 0.000 2.639 205 A HA 0.530 4.346 4.320 -0.839 0.000 0.221 205 A C 1.502 179.217 177.584 0.218 0.000 0.879 205 A CA 0.914 53.065 52.037 0.190 0.000 1.189 205 A CB -0.063 19.111 19.000 0.291 0.000 1.231 205 A HN 1.295 nan 8.150 nan 0.000 0.457 206 G N 0.431 109.309 108.800 0.131 0.000 2.485 206 G HA2 -0.214 3.242 3.960 -0.839 0.000 0.221 206 G HA3 -0.214 3.242 3.960 -0.839 0.000 0.221 206 G C 1.256 176.159 174.900 0.005 0.000 1.115 206 G CA 0.604 45.734 45.100 0.051 0.000 0.751 206 G HN 0.377 nan 8.290 nan 0.000 0.567 207 R N 0.559 121.050 120.500 -0.016 0.000 2.346 207 R HA 0.070 3.907 4.340 -0.839 0.000 0.199 207 R C 2.247 178.523 176.300 -0.041 0.000 1.015 207 R CA 0.255 56.342 56.100 -0.021 0.000 1.058 207 R CB -0.619 29.672 30.300 -0.016 0.000 0.921 207 R HN 0.772 nan 8.270 nan 0.000 0.475 208 I N -3.676 116.836 120.570 -0.097 0.000 3.111 208 I HA 0.006 3.672 4.170 -0.839 0.000 0.272 208 I C 0.224 176.121 176.117 -0.368 0.000 1.268 208 I CA 0.412 61.567 61.300 -0.241 0.000 1.467 208 I CB -0.161 37.625 38.000 -0.357 0.000 1.087 208 I HN -0.208 nan 8.210 nan 0.000 0.467 209 Y N 0.875 121.058 120.300 -0.195 0.000 2.458 209 Y HA 0.302 4.350 4.550 -0.836 0.000 0.322 209 Y C 1.601 177.475 175.900 -0.043 0.000 1.259 209 Y CA -0.379 57.657 58.100 -0.106 0.000 1.302 209 Y CB 0.822 39.219 38.460 -0.105 0.000 1.314 209 Y HN -0.158 nan 8.280 nan 0.000 0.509 210 Q N 0.118 120.032 119.800 0.189 0.000 2.123 210 Q HA -0.009 3.828 4.340 -0.839 0.000 0.196 210 Q C 0.050 176.117 176.000 0.113 0.000 0.958 210 Q CA 0.709 56.583 55.803 0.118 0.000 0.841 210 Q CB 0.315 29.128 28.738 0.126 0.000 0.915 210 Q HN 0.485 nan 8.270 nan 0.000 0.455 211 S N -0.305 115.483 115.700 0.147 0.000 2.478 211 S HA 0.499 4.466 4.470 -0.839 0.000 0.312 211 S C -0.997 173.645 174.600 0.070 0.000 1.094 211 S CA -0.468 57.790 58.200 0.096 0.000 1.081 211 S CB 1.673 64.941 63.200 0.113 0.000 1.007 211 S HN 0.204 nan 8.310 nan 0.000 0.475 212 T N 1.528 116.090 114.554 0.012 0.000 2.923 212 T HA 0.421 4.268 4.350 -0.839 0.000 0.311 212 T C 1.078 175.760 174.700 -0.030 0.000 1.183 212 T CA 0.053 62.139 62.100 -0.023 0.000 1.020 212 T CB 1.336 70.178 68.868 -0.042 0.000 1.165 212 T HN 0.734 nan 8.240 nan 0.000 0.482 213 T N 0.868 115.431 114.554 0.015 0.000 3.085 213 T HA 0.156 4.002 4.350 -0.839 0.000 0.263 213 T C 0.662 175.379 174.700 0.027 0.000 1.127 213 T CA 0.245 62.373 62.100 0.047 0.000 1.103 213 T CB -0.625 68.359 68.868 0.193 0.000 0.921 213 T HN 0.605 nan 8.240 nan 0.000 0.510 214 N N 1.467 120.111 118.700 -0.094 0.000 2.503 214 N HA 0.485 4.721 4.740 -0.839 0.000 0.267 214 N C 0.185 175.501 175.510 -0.322 0.000 1.214 214 N CA -0.489 52.351 53.050 -0.351 0.000 0.959 214 N CB 0.721 38.994 38.487 -0.357 0.000 1.142 214 N HN 0.414 nan 8.380 nan 0.000 0.455 215 A N 1.102 123.662 122.820 -0.433 0.000 2.475 215 A HA -0.057 3.759 4.320 -0.839 0.000 0.239 215 A C 1.008 178.499 177.584 -0.155 0.000 1.087 215 A CA 0.003 51.946 52.037 -0.156 0.000 0.779 215 A CB 0.052 19.078 19.000 0.043 0.000 1.036 215 A HN 0.796 nan 8.150 nan 0.000 0.506 216 H N 0.857 119.917 119.070 -0.016 0.000 2.518 216 H HA -0.135 3.918 4.556 -0.838 0.000 0.289 216 H C 1.644 176.966 175.328 -0.011 0.000 1.051 216 H CA 2.074 58.115 56.048 -0.011 0.000 1.280 216 H CB -0.125 29.643 29.762 0.010 0.000 1.380 216 H HN 0.733 nan 8.280 nan 0.000 0.566 217 I N -1.528 119.101 120.570 0.097 0.000 3.684 217 I HA 0.046 3.712 4.170 -0.839 0.000 0.304 217 I C -0.230 175.905 176.117 0.030 0.000 1.278 217 I CA 0.106 61.452 61.300 0.077 0.000 1.272 217 I CB -0.084 37.971 38.000 0.091 0.000 1.029 217 I HN -0.182 nan 8.210 nan 0.000 0.458 218 N N 2.730 121.411 118.700 -0.031 0.000 2.895 218 N HA 0.097 4.334 4.740 -0.839 0.000 0.277 218 N C 0.642 176.148 175.510 -0.007 0.000 1.185 218 N CA 0.319 53.337 53.050 -0.054 0.000 1.106 218 N CB 0.407 38.799 38.487 -0.158 0.000 1.422 218 N HN 0.388 nan 8.380 nan 0.000 0.521 219 T N -2.903 111.666 114.554 0.025 0.000 3.215 219 T HA 0.279 4.126 4.350 -0.839 0.000 0.271 219 T C 1.153 175.882 174.700 0.047 0.000 1.012 219 T CA -0.260 61.864 62.100 0.040 0.000 0.899 219 T CB -0.129 68.774 68.868 0.058 0.000 1.089 219 T HN 0.376 nan 8.240 nan 0.000 0.552 220 G N 1.982 110.808 108.800 0.043 0.000 2.283 220 G HA2 -0.284 3.173 3.960 -0.839 0.000 0.280 220 G HA3 -0.284 3.173 3.960 -0.839 0.000 0.280 220 G C 0.517 175.435 174.900 0.030 0.000 1.029 220 G CA 0.349 45.476 45.100 0.045 0.000 0.840 220 G HN 0.496 nan 8.290 nan 0.000 0.505 221 D N -0.007 120.404 120.400 0.018 0.000 2.158 221 D HA -0.085 4.052 4.640 -0.839 0.000 0.197 221 D C 2.440 178.726 176.300 -0.023 0.000 0.995 221 D CA 1.829 55.828 54.000 -0.001 0.000 0.846 221 D CB -0.590 40.179 40.800 -0.051 0.000 0.941 221 D HN 0.572 nan 8.370 nan 0.000 0.456 222 G N -0.011 108.772 108.800 -0.028 0.000 2.464 222 G HA2 -0.102 3.354 3.960 -0.839 0.000 0.217 222 G HA3 -0.102 3.354 3.960 -0.839 0.000 0.217 222 G C 1.816 176.711 174.900 -0.008 0.000 1.138 222 G CA 0.392 45.475 45.100 -0.029 0.000 0.793 222 G HN 0.228 nan 8.290 nan 0.000 0.539 223 V N 1.589 121.505 119.914 0.004 0.000 2.307 223 V HA -0.026 3.590 4.120 -0.839 0.000 0.245 223 V C 3.131 179.248 176.094 0.038 0.000 1.045 223 V CA 1.921 64.234 62.300 0.021 0.000 1.024 223 V CB -1.081 30.761 31.823 0.031 0.000 0.651 223 V HN 0.388 nan 8.190 nan 0.000 0.449 224 G N -0.169 108.654 108.800 0.039 0.000 2.545 224 G HA2 -0.328 3.128 3.960 -0.839 0.000 0.217 224 G HA3 -0.328 3.128 3.960 -0.839 0.000 0.217 224 G C 1.634 176.558 174.900 0.041 0.000 1.218 224 G CA 1.470 46.599 45.100 0.049 0.000 0.787 224 G HN 0.409 nan 8.290 nan 0.000 0.571 225 M N 0.793 120.407 119.600 0.024 0.000 2.106 225 M HA -0.123 3.853 4.480 -0.839 0.000 0.259 225 M C 3.000 179.309 176.300 0.015 0.000 1.068 225 M CA 1.658 56.967 55.300 0.015 0.000 1.100 225 M CB -0.298 32.297 32.600 -0.008 0.000 1.351 225 M HN 0.356 nan 8.290 nan 0.000 0.404 226 A N 0.260 123.088 122.820 0.015 0.000 1.872 226 A HA -0.080 3.737 4.320 -0.839 0.000 0.214 226 A C 2.060 179.658 177.584 0.023 0.000 1.187 226 A CA 1.236 53.280 52.037 0.012 0.000 0.614 226 A CB -0.749 18.256 19.000 0.007 0.000 0.826 226 A HN 0.417 nan 8.150 nan 0.000 0.442 227 I N -0.600 120.000 120.570 0.050 0.000 2.163 227 I HA -0.277 3.389 4.170 -0.839 0.000 0.243 227 I C 2.656 178.797 176.117 0.040 0.000 1.085 227 I CA 1.374 62.719 61.300 0.075 0.000 1.347 227 I CB -0.222 37.866 38.000 0.146 0.000 1.044 227 I HN 0.266 nan 8.210 nan 0.000 0.408 228 R N 0.333 120.853 120.500 0.033 0.000 2.237 228 R HA -0.041 3.796 4.340 -0.839 0.000 0.219 228 R C 1.840 178.142 176.300 0.004 0.000 1.080 228 R CA 1.077 57.188 56.100 0.018 0.000 0.995 228 R CB -0.209 30.106 30.300 0.025 0.000 0.875 228 R HN 0.340 nan 8.270 nan 0.000 0.462 229 A N -0.140 122.681 122.820 0.002 0.000 2.308 229 A HA 0.285 4.102 4.320 -0.839 0.000 0.217 229 A C 1.201 178.775 177.584 -0.017 0.000 1.216 229 A CA 0.514 52.547 52.037 -0.007 0.000 0.864 229 A CB 0.268 19.265 19.000 -0.005 0.000 0.902 229 A HN 0.359 nan 8.150 nan 0.000 0.499 230 G N -1.044 107.744 108.800 -0.019 0.000 2.147 230 G HA2 -0.172 3.285 3.960 -0.839 0.000 0.244 230 G HA3 -0.172 3.285 3.960 -0.839 0.000 0.244 230 G C 0.033 174.907 174.900 -0.043 0.000 1.005 230 G CA 0.176 45.254 45.100 -0.038 0.000 0.713 230 G HN 0.752 nan 8.290 nan 0.000 0.515 231 V N 2.682 122.579 119.914 -0.028 0.000 2.407 231 V HA 0.467 4.083 4.120 -0.839 0.000 0.278 231 V C -1.132 174.950 176.094 -0.021 0.000 1.037 231 V CA -1.472 60.809 62.300 -0.032 0.000 0.900 231 V CB 1.623 33.430 31.823 -0.027 0.000 0.983 231 V HN 0.242 nan 8.190 nan 0.000 0.459 232 P HA 0.208 nan 4.420 nan 0.000 0.272 232 P C -0.598 176.715 177.300 0.022 0.000 1.223 232 P CA 0.113 63.203 63.100 -0.016 0.000 0.784 232 P CB 1.136 32.812 31.700 -0.041 0.000 0.923 233 V N -0.840 119.126 119.914 0.087 0.000 2.994 233 V HA 0.689 4.305 4.120 -0.839 0.000 0.318 233 V C -0.440 175.689 176.094 0.058 0.000 1.085 233 V CA -0.937 61.401 62.300 0.063 0.000 0.998 233 V CB 1.457 33.327 31.823 0.078 0.000 1.063 233 V HN 0.641 nan 8.190 nan 0.000 0.447 234 Q N 0.149 119.954 119.800 0.009 0.000 2.331 234 Q HA 0.410 4.246 4.340 -0.839 0.000 0.272 234 Q C -1.063 174.940 176.000 0.006 0.000 1.062 234 Q CA -0.341 55.468 55.803 0.009 0.000 0.806 234 Q CB 1.834 30.540 28.738 -0.054 0.000 1.312 234 Q HN 0.944 nan 8.270 nan 0.000 0.431 235 D N 3.164 123.600 120.400 0.060 0.000 2.945 235 D HA -0.187 3.949 4.640 -0.839 0.000 0.225 235 D C 0.676 176.963 176.300 -0.022 0.000 1.158 235 D CA 0.857 54.890 54.000 0.055 0.000 0.805 235 D CB -0.336 40.518 40.800 0.090 0.000 1.098 235 D HN 0.679 nan 8.370 nan 0.000 0.426 236 M N -0.176 119.413 119.600 -0.018 0.000 2.446 236 M HA -0.136 3.840 4.480 -0.839 0.000 0.263 236 M C 2.102 178.437 176.300 0.058 0.000 1.066 236 M CA 1.326 56.610 55.300 -0.027 0.000 1.087 236 M CB -0.473 32.126 32.600 -0.002 0.000 1.406 236 M HN 0.334 nan 8.290 nan 0.000 0.459 237 E N -0.411 119.812 120.200 0.038 0.000 2.358 237 E HA -0.071 3.775 4.350 -0.839 0.000 0.195 237 E C 0.295 177.008 176.600 0.189 0.000 1.010 237 E CA 0.368 56.830 56.400 0.104 0.000 0.856 237 E CB -0.169 29.439 29.700 -0.155 0.000 0.795 237 E HN 0.305 nan 8.360 nan 0.000 0.504 238 M N 1.210 120.833 119.600 0.039 0.000 2.341 238 M HA 0.172 4.148 4.480 -0.839 0.000 0.336 238 M C -1.268 174.964 176.300 -0.113 0.000 1.489 238 M CA 0.334 55.661 55.300 0.045 0.000 1.278 238 M CB -1.035 31.577 32.600 0.020 0.000 1.657 238 M HN 0.079 nan 8.290 nan 0.000 0.455 239 W N 2.351 123.724 121.300 0.123 0.000 2.499 239 W HA 0.395 4.549 4.660 -0.843 0.000 0.320 239 W C 0.180 176.704 176.519 0.008 0.000 1.010 239 W CA -0.587 56.770 57.345 0.020 0.000 1.267 239 W CB 1.173 30.637 29.460 0.006 0.000 1.316 239 W HN 0.518 nan 8.180 nan 0.000 0.431 240 Q N 3.156 123.046 119.800 0.149 0.000 2.293 240 Q HA 0.274 4.111 4.340 -0.839 0.000 0.263 240 Q C -1.208 174.813 176.000 0.034 0.000 1.002 240 Q CA 0.161 56.059 55.803 0.159 0.000 0.910 240 Q CB 0.430 29.285 28.738 0.194 0.000 1.185 240 Q HN 0.402 nan 8.270 nan 0.000 0.401 241 F N 3.932 123.941 119.950 0.098 0.000 2.334 241 F HA 0.176 4.203 4.527 -0.833 0.000 0.367 241 F C 0.473 176.297 175.800 0.040 0.000 1.115 241 F CA -0.773 57.261 58.000 0.057 0.000 1.116 241 F CB 0.712 39.696 39.000 -0.028 0.000 1.230 241 F HN 0.594 nan 8.300 nan 0.000 0.484 242 H N 5.925 125.027 119.070 0.053 0.000 3.004 242 H HA 0.039 4.091 4.556 -0.840 0.000 0.316 242 H C -1.735 173.565 175.328 -0.046 0.000 1.014 242 H CA -1.363 54.623 56.048 -0.104 0.000 1.454 242 H CB 1.463 30.980 29.762 -0.408 0.000 1.472 242 H HN 0.354 nan 8.280 nan 0.000 0.571 243 P HA -0.125 nan 4.420 nan 0.000 0.216 243 P C 0.284 177.656 177.300 0.120 0.000 1.157 243 P CA 1.979 65.067 63.100 -0.020 0.000 0.880 243 P CB 0.127 31.732 31.700 -0.159 0.000 0.791 244 T N -2.937 111.790 114.554 0.288 0.000 3.332 244 T HA 0.629 4.476 4.350 -0.839 0.000 0.385 244 T C 0.373 175.106 174.700 0.055 0.000 1.695 244 T CA -0.882 61.304 62.100 0.145 0.000 1.397 244 T CB 0.299 69.216 68.868 0.082 0.000 1.100 244 T HN 0.005 nan 8.240 nan 0.000 0.669 245 G N 1.968 110.792 108.800 0.039 0.000 2.400 245 G HA2 0.608 4.065 3.960 -0.839 0.000 0.301 245 G HA3 0.608 4.065 3.960 -0.839 0.000 0.301 245 G C -0.104 174.787 174.900 -0.014 0.000 1.154 245 G CA -1.095 43.989 45.100 -0.026 0.000 0.852 245 G HN 0.774 nan 8.290 nan 0.000 0.511 246 I N 1.492 122.041 120.570 -0.034 0.000 2.618 246 I HA 0.177 3.843 4.170 -0.839 0.000 0.284 246 I C 1.248 177.369 176.117 0.007 0.000 1.146 246 I CA -0.065 61.216 61.300 -0.032 0.000 1.425 246 I CB 1.095 39.092 38.000 -0.006 0.000 1.383 246 I HN 0.511 nan 8.210 nan 0.000 0.562 247 A N 5.325 128.134 122.820 -0.018 0.000 2.522 247 A HA 0.423 4.240 4.320 -0.839 0.000 0.256 247 A C 1.265 178.954 177.584 0.176 0.000 1.086 247 A CA 0.431 52.507 52.037 0.066 0.000 0.763 247 A CB -0.480 18.529 19.000 0.014 0.000 1.024 247 A HN 1.243 nan 8.150 nan 0.000 0.502 248 G N 0.755 109.652 108.800 0.162 0.000 2.148 248 G HA2 0.036 3.493 3.960 -0.839 0.000 0.254 248 G HA3 0.036 3.493 3.960 -0.839 0.000 0.254 248 G C 0.720 175.704 174.900 0.140 0.000 0.981 248 G CA 1.087 46.285 45.100 0.163 0.000 0.670 248 G HN 2.037 nan 8.290 nan 0.000 0.528 249 A N -2.118 120.763 122.820 0.102 0.000 1.853 249 A HA 0.686 4.502 4.320 -0.839 0.000 0.204 249 A C 2.580 180.138 177.584 -0.043 0.000 1.724 249 A CA 1.863 53.927 52.037 0.046 0.000 1.105 249 A CB -0.246 18.792 19.000 0.064 0.000 1.101 249 A HN 2.260 nan 8.150 nan 0.000 0.495 250 G N -1.028 107.753 108.800 -0.032 0.000 2.217 250 G HA2 -0.188 3.269 3.960 -0.839 0.000 0.246 250 G HA3 -0.188 3.269 3.960 -0.839 0.000 0.246 250 G C 0.305 175.146 174.900 -0.098 0.000 0.990 250 G CA 0.167 45.239 45.100 -0.046 0.000 0.627 250 G HN 1.068 nan 8.290 nan 0.000 0.522 251 V N 2.387 122.191 119.914 -0.184 0.000 2.485 251 V HA 0.402 4.019 4.120 -0.839 0.000 0.287 251 V C 1.119 177.139 176.094 -0.123 0.000 1.022 251 V CA 0.132 62.303 62.300 -0.215 0.000 1.067 251 V CB 1.205 32.764 31.823 -0.439 0.000 0.967 251 V HN 0.594 nan 8.190 nan 0.000 0.479 252 L N 8.300 129.459 121.223 -0.107 0.000 2.499 252 L HA 0.318 4.154 4.340 -0.839 0.000 0.273 252 L C 0.106 176.900 176.870 -0.127 0.000 1.195 252 L CA 0.500 55.241 54.840 -0.165 0.000 0.882 252 L CB 0.917 42.856 42.059 -0.199 0.000 1.133 252 L HN 0.587 nan 8.230 nan 0.000 0.483 253 V N 2.020 121.854 119.914 -0.133 0.000 2.532 253 V HA 0.527 4.143 4.120 -0.839 0.000 0.295 253 V C 0.387 176.420 176.094 -0.101 0.000 1.041 253 V CA -0.422 61.829 62.300 -0.082 0.000 0.926 253 V CB 1.167 32.960 31.823 -0.050 0.000 0.992 253 V HN 0.902 nan 8.190 nan 0.000 0.457 254 T N 1.251 115.785 114.554 -0.034 0.000 2.898 254 T HA 0.128 3.974 4.350 -0.839 0.000 0.301 254 T C 0.965 175.675 174.700 0.017 0.000 1.049 254 T CA 0.705 62.821 62.100 0.026 0.000 1.095 254 T CB 0.898 69.834 68.868 0.114 0.000 0.976 254 T HN 1.082 nan 8.240 nan 0.000 0.539 255 E N 1.949 122.133 120.200 -0.026 0.000 2.268 255 E HA -0.028 3.819 4.350 -0.839 0.000 0.195 255 E C 2.025 178.328 176.600 -0.495 0.000 0.995 255 E CA 0.974 57.133 56.400 -0.402 0.000 0.836 255 E CB -0.688 28.509 29.700 -0.839 0.000 0.763 255 E HN 0.917 nan 8.360 nan 0.000 0.491 256 G N 0.145 108.857 108.800 -0.147 0.000 2.501 256 G HA2 -0.281 3.175 3.960 -0.839 0.000 0.220 256 G HA3 -0.281 3.175 3.960 -0.839 0.000 0.220 256 G C 1.480 176.406 174.900 0.043 0.000 1.114 256 G CA 0.825 46.014 45.100 0.147 0.000 0.757 256 G HN 0.368 nan 8.290 nan 0.000 0.559 257 C N -0.087 119.200 119.300 -0.022 0.000 2.462 257 C HA 0.045 4.001 4.460 -0.839 0.000 0.278 257 C C 2.962 177.921 174.990 -0.051 0.000 1.253 257 C CA 0.785 59.780 59.018 -0.037 0.000 1.713 257 C CB -0.722 26.988 27.740 -0.050 0.000 2.049 257 C HN 0.453 nan 8.230 nan 0.000 0.477 258 R N 0.786 121.233 120.500 -0.088 0.000 2.115 258 R HA 0.026 3.863 4.340 -0.839 0.000 0.226 258 R C 2.370 178.642 176.300 -0.046 0.000 1.100 258 R CA 1.371 57.429 56.100 -0.071 0.000 0.980 258 R CB -0.724 29.505 30.300 -0.118 0.000 0.875 258 R HN 0.605 nan 8.270 nan 0.000 0.445 259 G N 0.651 109.407 108.800 -0.074 0.000 2.443 259 G HA2 -0.198 3.258 3.960 -0.839 0.000 0.219 259 G HA3 -0.198 3.258 3.960 -0.839 0.000 0.219 259 G C 1.062 176.005 174.900 0.072 0.000 1.131 259 G CA 0.379 45.487 45.100 0.014 0.000 0.775 259 G HN 0.192 nan 8.290 nan 0.000 0.547 260 E N 0.101 120.340 120.200 0.064 0.000 2.489 260 E HA 0.174 4.021 4.350 -0.839 0.000 0.193 260 E C 1.759 178.382 176.600 0.039 0.000 1.057 260 E CA 0.616 57.058 56.400 0.069 0.000 0.866 260 E CB 0.346 30.080 29.700 0.058 0.000 0.916 260 E HN 0.477 nan 8.360 nan 0.000 0.500 261 G N 0.552 109.383 108.800 0.053 0.000 2.229 261 G HA2 -0.176 3.280 3.960 -0.839 0.000 0.189 261 G HA3 -0.176 3.280 3.960 -0.839 0.000 0.189 261 G C 0.665 175.684 174.900 0.199 0.000 1.000 261 G CA -0.272 44.900 45.100 0.120 0.000 0.663 261 G HN 0.457 nan 8.290 nan 0.000 0.493 262 G N 0.042 108.872 108.800 0.051 0.000 2.569 262 G HA2 0.680 4.137 3.960 -0.839 0.000 0.249 262 G HA3 0.680 4.137 3.960 -0.839 0.000 0.249 262 G C -0.291 174.656 174.900 0.079 0.000 1.216 262 G CA 0.325 45.428 45.100 0.005 0.000 0.845 262 G HN 1.404 nan 8.290 nan 0.000 0.568 263 Y N -1.546 118.781 120.300 0.046 0.000 2.597 263 Y HA 0.665 4.705 4.550 -0.850 0.000 0.340 263 Y C -0.873 174.972 175.900 -0.092 0.000 1.097 263 Y CA -1.779 56.288 58.100 -0.056 0.000 1.037 263 Y CB 1.148 39.564 38.460 -0.073 0.000 1.305 263 Y HN 0.413 nan 8.280 nan 0.000 0.463 264 L N 3.369 124.599 121.223 0.011 0.000 2.292 264 L HA 0.550 4.386 4.340 -0.839 0.000 0.284 264 L C -0.656 176.156 176.870 -0.097 0.000 1.065 264 L CA -0.487 54.281 54.840 -0.120 0.000 0.806 264 L CB 1.017 42.877 42.059 -0.333 0.000 1.175 264 L HN 0.566 nan 8.230 nan 0.000 0.431 265 L N 3.178 124.477 121.223 0.126 0.000 2.362 265 L HA 0.499 4.335 4.340 -0.839 0.000 0.271 265 L C -0.217 176.898 176.870 0.408 0.000 1.002 265 L CA -0.928 54.061 54.840 0.249 0.000 0.818 265 L CB 1.872 44.043 42.059 0.186 0.000 1.298 265 L HN 0.654 nan 8.230 nan 0.000 0.420 266 N N 1.681 120.657 118.700 0.460 0.000 2.476 266 N HA 0.146 4.382 4.740 -0.839 0.000 0.287 266 N C 0.529 176.072 175.510 0.054 0.000 1.262 266 N CA -0.754 52.419 53.050 0.205 0.000 0.980 266 N CB 0.422 38.970 38.487 0.102 0.000 1.163 266 N HN 0.614 nan 8.380 nan 0.000 0.592 267 K N -1.043 119.290 120.400 -0.111 0.000 2.280 267 K HA -0.153 3.664 4.320 -0.839 0.000 0.202 267 K C 0.469 176.948 176.600 -0.202 0.000 1.047 267 K CA 1.464 57.629 56.287 -0.204 0.000 0.942 267 K CB -0.548 31.757 32.500 -0.325 0.000 0.739 267 K HN 0.614 nan 8.250 nan 0.000 0.457 268 H N -0.353 118.750 119.070 0.055 0.000 2.539 268 H HA 0.210 4.255 4.556 -0.851 0.000 0.269 268 H C 0.881 176.251 175.328 0.069 0.000 0.980 268 H CA 0.231 56.311 56.048 0.054 0.000 1.152 268 H CB 0.899 30.688 29.762 0.045 0.000 1.407 268 H HN 0.550 nan 8.280 nan 0.000 0.564 269 G N 0.979 109.877 108.800 0.163 0.000 2.148 269 G HA2 -0.338 3.119 3.960 -0.839 0.000 0.254 269 G HA3 -0.338 3.119 3.960 -0.839 0.000 0.254 269 G C 0.125 175.118 174.900 0.155 0.000 0.981 269 G CA 0.240 45.428 45.100 0.147 0.000 0.670 269 G HN 0.521 nan 8.290 nan 0.000 0.528 270 E N 0.289 120.606 120.200 0.195 0.000 2.289 270 E HA 0.274 4.120 4.350 -0.839 0.000 0.278 270 E C 0.723 177.436 176.600 0.190 0.000 1.032 270 E CA -0.760 55.744 56.400 0.174 0.000 0.854 270 E CB 0.312 30.130 29.700 0.198 0.000 1.046 270 E HN 0.323 nan 8.360 nan 0.000 0.409 271 R N 5.476 126.015 120.500 0.066 0.000 4.154 271 R HA 0.008 3.844 4.340 -0.839 0.000 0.186 271 R C 0.895 177.164 176.300 -0.052 0.000 1.750 271 R CA -0.120 55.954 56.100 -0.044 0.000 1.431 271 R CB -0.713 29.470 30.300 -0.196 0.000 1.383 271 R HN 0.536 nan 8.270 nan 0.000 0.788 272 F N 0.485 120.506 119.950 0.118 0.000 2.225 272 F HA -0.257 4.284 4.527 0.024 0.000 0.302 272 F C 1.369 177.330 175.800 0.268 0.000 1.068 272 F CA 0.670 58.785 58.000 0.192 0.000 1.327 272 F CB -0.350 38.808 39.000 0.265 0.000 1.043 272 F HN 0.255 nan 8.300 nan 0.000 0.506 273 M N 1.163 120.637 119.600 -0.210 0.000 2.279 273 M HA -0.143 3.833 4.480 -0.839 0.000 0.264 273 M C 1.959 178.296 176.300 0.062 0.000 1.062 273 M CA 1.172 56.454 55.300 -0.030 0.000 1.099 273 M CB -1.252 31.216 32.600 -0.220 0.000 1.394 273 M HN 0.420 nan 8.290 nan 0.000 0.426 274 E N -0.960 119.244 120.200 0.007 0.000 2.204 274 E HA -0.185 3.662 4.350 -0.839 0.000 0.194 274 E C 2.158 178.775 176.600 0.028 0.000 0.989 274 E CA 0.724 57.125 56.400 0.001 0.000 0.824 274 E CB -0.079 29.597 29.700 -0.040 0.000 0.756 274 E HN 0.464 nan 8.360 nan 0.000 0.477 275 R N -0.207 120.324 120.500 0.052 0.000 2.080 275 R HA -0.065 3.772 4.340 -0.839 0.000 0.222 275 R C 1.754 178.019 176.300 -0.058 0.000 1.107 275 R CA 0.850 56.931 56.100 -0.033 0.000 0.980 275 R CB 0.022 30.259 30.300 -0.105 0.000 0.879 275 R HN 0.164 nan 8.270 nan 0.000 0.439 276 Y N -0.358 120.008 120.300 0.111 0.000 2.263 276 Y HA 0.097 4.159 4.550 -0.813 0.000 0.292 276 Y C 0.674 176.637 175.900 0.104 0.000 1.130 276 Y CA 0.981 59.154 58.100 0.122 0.000 1.179 276 Y CB 0.330 38.892 38.460 0.170 0.000 0.998 276 Y HN 0.088 nan 8.280 nan 0.000 0.532 277 A N -0.523 122.433 122.820 0.227 0.000 2.702 277 A HA 0.437 4.254 4.320 -0.839 0.000 0.305 277 A C -2.277 175.370 177.584 0.105 0.000 1.213 277 A CA -1.235 50.906 52.037 0.174 0.000 0.745 277 A CB 0.572 19.682 19.000 0.183 0.000 1.161 277 A HN -0.033 nan 8.150 nan 0.000 0.445 278 P HA -0.084 nan 4.420 nan 0.000 0.221 278 P C 1.087 178.408 177.300 0.035 0.000 1.150 278 P CA 1.047 64.171 63.100 0.040 0.000 0.800 278 P CB 0.402 32.118 31.700 0.026 0.000 0.787 279 N N -0.176 118.559 118.700 0.058 0.000 2.124 279 N HA -0.030 4.207 4.740 -0.839 0.000 0.189 279 N C 1.743 177.284 175.510 0.051 0.000 1.050 279 N CA 1.597 54.677 53.050 0.050 0.000 0.848 279 N CB -1.063 37.462 38.487 0.065 0.000 1.027 279 N HN -0.000 nan 8.380 nan 0.000 0.435 280 A N 0.662 123.537 122.820 0.091 0.000 2.067 280 A HA 0.004 3.821 4.320 -0.839 0.000 0.217 280 A C 0.912 178.501 177.584 0.008 0.000 1.156 280 A CA 0.647 52.722 52.037 0.063 0.000 0.683 280 A CB -0.078 18.991 19.000 0.115 0.000 0.808 280 A HN 0.339 nan 8.150 nan 0.000 0.455 281 K N -1.763 118.647 120.400 0.017 0.000 1.957 281 K HA -0.280 3.537 4.320 -0.839 0.000 0.155 281 K C 0.405 176.973 176.600 -0.054 0.000 1.342 281 K CA 1.875 58.152 56.287 -0.017 0.000 0.382 281 K CB -1.458 31.018 32.500 -0.039 0.000 0.664 281 K HN 0.387 nan 8.250 nan 0.000 0.799 282 D N 1.026 121.380 120.400 -0.076 0.000 2.348 282 D HA 0.043 4.179 4.640 -0.839 0.000 0.216 282 D C 1.002 177.224 176.300 -0.131 0.000 0.970 282 D CA 0.757 54.693 54.000 -0.107 0.000 0.889 282 D CB 0.021 40.774 40.800 -0.078 0.000 0.912 282 D HN 0.197 nan 8.370 nan 0.000 0.524 283 L N 0.426 121.578 121.223 -0.117 0.000 2.848 283 L HA 0.383 4.220 4.340 -0.839 0.000 0.240 283 L C 0.885 177.627 176.870 -0.214 0.000 1.232 283 L CA -0.673 54.075 54.840 -0.153 0.000 1.031 283 L CB -0.141 41.862 42.059 -0.095 0.000 1.338 283 L HN -0.018 nan 8.230 nan 0.000 0.509 284 A N 0.089 122.749 122.820 -0.267 0.000 2.325 284 A HA 0.487 4.303 4.320 -0.839 0.000 0.260 284 A C 0.993 178.140 177.584 -0.728 0.000 1.133 284 A CA 0.279 51.984 52.037 -0.552 0.000 0.801 284 A CB -0.165 18.634 19.000 -0.335 0.000 1.092 284 A HN 0.305 nan 8.150 nan 0.000 0.504 285 G N -1.359 106.661 108.800 -1.301 0.000 2.559 285 G HA2 0.257 3.713 3.960 -0.839 0.000 0.235 285 G HA3 0.257 3.713 3.960 -0.839 0.000 0.235 285 G C 0.736 175.450 174.900 -0.310 0.000 1.266 285 G CA -0.144 44.565 45.100 -0.651 0.000 0.847 285 G HN 0.763 nan 8.290 nan 0.000 0.583 286 R N 0.073 120.454 120.500 -0.199 0.000 2.090 286 R HA -0.080 3.756 4.340 -0.839 0.000 0.228 286 R C 2.325 178.562 176.300 -0.106 0.000 1.110 286 R CA 1.458 57.449 56.100 -0.183 0.000 0.973 286 R CB -0.045 30.146 30.300 -0.181 0.000 0.869 286 R HN 0.820 nan 8.270 nan 0.000 0.440 287 D N 0.127 120.502 120.400 -0.042 0.000 2.178 287 D HA -0.113 4.023 4.640 -0.839 0.000 0.201 287 D C 1.712 177.990 176.300 -0.037 0.000 0.980 287 D CA 0.946 54.940 54.000 -0.010 0.000 0.842 287 D CB -0.226 40.595 40.800 0.036 0.000 0.948 287 D HN 0.075 nan 8.370 nan 0.000 0.472 288 V N 0.879 120.780 119.914 -0.021 0.000 2.302 288 V HA -0.170 3.447 4.120 -0.839 0.000 0.243 288 V C 2.970 179.037 176.094 -0.045 0.000 1.036 288 V CA 0.949 63.255 62.300 0.010 0.000 1.020 288 V CB -0.317 31.564 31.823 0.096 0.000 0.657 288 V HN 0.075 nan 8.190 nan 0.000 0.453 289 V N 0.636 120.498 119.914 -0.087 0.000 2.332 289 V HA -0.292 3.324 4.120 -0.839 0.000 0.248 289 V C 2.727 178.779 176.094 -0.070 0.000 1.055 289 V CA 2.064 64.312 62.300 -0.087 0.000 1.038 289 V CB -1.280 30.461 31.823 -0.137 0.000 0.651 289 V HN 0.546 nan 8.190 nan 0.000 0.450 290 A N 0.199 122.968 122.820 -0.084 0.000 1.842 290 A HA -0.287 3.529 4.320 -0.839 0.000 0.217 290 A C 2.375 179.883 177.584 -0.126 0.000 1.206 290 A CA 2.307 54.296 52.037 -0.080 0.000 0.630 290 A CB -0.679 18.283 19.000 -0.063 0.000 0.839 290 A HN 0.481 nan 8.150 nan 0.000 0.447 291 R N -0.424 119.968 120.500 -0.180 0.000 2.103 291 R HA -0.116 3.720 4.340 -0.839 0.000 0.242 291 R C 2.595 178.844 176.300 -0.085 0.000 1.142 291 R CA 1.563 57.550 56.100 -0.188 0.000 0.960 291 R CB -0.473 29.729 30.300 -0.163 0.000 0.858 291 R HN 0.555 nan 8.270 nan 0.000 0.439 292 S N 0.942 116.513 115.700 -0.215 0.000 2.374 292 S HA -0.142 3.825 4.470 -0.839 0.000 0.227 292 S C 1.947 176.306 174.600 -0.401 0.000 1.037 292 S CA 1.275 59.123 58.200 -0.586 0.000 1.024 292 S CB -0.198 62.650 63.200 -0.588 0.000 0.861 292 S HN 0.251 nan 8.310 nan 0.000 0.456 293 I N 0.975 121.472 120.570 -0.122 0.000 2.315 293 I HA -0.176 3.491 4.170 -0.839 0.000 0.248 293 I C 2.271 178.305 176.117 -0.138 0.000 1.117 293 I CA 0.887 62.118 61.300 -0.114 0.000 1.404 293 I CB -0.313 37.723 38.000 0.061 0.000 1.071 293 I HN 0.281 nan 8.210 nan 0.000 0.419 294 M N 0.199 119.771 119.600 -0.047 0.000 2.175 294 M HA -0.112 3.864 4.480 -0.839 0.000 0.264 294 M C 2.426 178.773 176.300 0.078 0.000 1.063 294 M CA 1.773 57.108 55.300 0.058 0.000 1.119 294 M CB -0.908 31.796 32.600 0.173 0.000 1.377 294 M HN 0.195 nan 8.290 nan 0.000 0.415 295 I N -0.107 120.508 120.570 0.075 0.000 2.286 295 I HA -0.260 3.407 4.170 -0.839 0.000 0.248 295 I C 2.392 178.489 176.117 -0.034 0.000 1.115 295 I CA 0.959 62.289 61.300 0.051 0.000 1.392 295 I CB -0.401 37.682 38.000 0.138 0.000 1.065 295 I HN 0.247 nan 8.210 nan 0.000 0.418 296 E N 0.885 120.982 120.200 -0.172 0.000 2.051 296 E HA -0.174 3.672 4.350 -0.839 0.000 0.192 296 E C 2.309 178.808 176.600 -0.169 0.000 0.991 296 E CA 1.392 57.639 56.400 -0.254 0.000 0.799 296 E CB -0.242 29.060 29.700 -0.663 0.000 0.748 296 E HN 0.524 nan 8.360 nan 0.000 0.449 297 I N 0.488 120.972 120.570 -0.143 0.000 2.163 297 I HA -0.218 3.449 4.170 -0.839 0.000 0.240 297 I C 2.683 178.765 176.117 -0.058 0.000 1.081 297 I CA 0.858 62.104 61.300 -0.091 0.000 1.353 297 I CB -0.243 37.723 38.000 -0.057 0.000 1.054 297 I HN -0.024 nan 8.210 nan 0.000 0.407 298 R N 0.764 121.241 120.500 -0.038 0.000 2.249 298 R HA -0.163 3.674 4.340 -0.839 0.000 0.230 298 R C 0.945 177.214 176.300 -0.051 0.000 1.121 298 R CA 1.164 57.242 56.100 -0.038 0.000 0.997 298 R CB -0.009 30.270 30.300 -0.035 0.000 0.867 298 R HN 0.463 nan 8.270 nan 0.000 0.465 299 E N -1.633 118.541 120.200 -0.044 0.000 2.558 299 E HA 0.137 3.983 4.350 -0.839 0.000 0.205 299 E C 0.419 177.005 176.600 -0.023 0.000 1.006 299 E CA 0.269 56.649 56.400 -0.034 0.000 0.961 299 E CB 1.207 30.896 29.700 -0.019 0.000 1.044 299 E HN 0.461 nan 8.360 nan 0.000 0.465 300 G N 1.942 110.721 108.800 -0.035 0.000 2.179 300 G HA2 -0.363 3.093 3.960 -0.839 0.000 0.260 300 G HA3 -0.363 3.093 3.960 -0.839 0.000 0.260 300 G C 0.981 175.853 174.900 -0.045 0.000 0.977 300 G CA 0.278 45.359 45.100 -0.032 0.000 0.641 300 G HN 0.284 nan 8.290 nan 0.000 0.533 301 R N 0.530 120.997 120.500 -0.056 0.000 2.317 301 R HA 0.303 4.140 4.340 -0.839 0.000 0.208 301 R C 1.696 177.894 176.300 -0.171 0.000 0.914 301 R CA 0.357 56.401 56.100 -0.094 0.000 1.060 301 R CB 0.351 30.654 30.300 0.005 0.000 1.015 301 R HN 0.382 nan 8.270 nan 0.000 0.498 302 G N 0.348 109.051 108.800 -0.162 0.000 2.572 302 G HA2 0.265 3.721 3.960 -0.839 0.000 0.261 302 G HA3 0.265 3.721 3.960 -0.839 0.000 0.261 302 G C -0.075 174.697 174.900 -0.214 0.000 1.197 302 G CA -0.586 44.400 45.100 -0.191 0.000 0.870 302 G HN 0.173 nan 8.290 nan 0.000 0.548 303 C N 0.154 119.259 119.300 -0.324 0.000 2.351 303 C HA 0.641 4.597 4.460 -0.839 0.000 0.359 303 C C 0.380 175.185 174.990 -0.308 0.000 1.193 303 C CA -0.927 57.902 59.018 -0.315 0.000 2.270 303 C CB 1.492 29.044 27.740 -0.314 0.000 2.369 303 C HN 0.770 nan 8.230 nan 0.000 0.553 304 D N -1.218 119.155 120.400 -0.045 0.000 2.627 304 D HA 0.729 4.865 4.640 -0.839 0.000 0.259 304 D C 0.210 176.721 176.300 0.352 0.000 1.164 304 D CA 0.593 54.676 54.000 0.137 0.000 1.087 304 D CB 2.252 43.099 40.800 0.079 0.000 1.217 304 D HN 0.960 nan 8.370 nan 0.000 0.630 305 G N -0.618 108.347 108.800 0.275 0.000 2.350 305 G HA2 0.034 3.490 3.960 -0.839 0.000 0.276 305 G HA3 0.034 3.490 3.960 -0.839 0.000 0.276 305 G C -2.433 172.411 174.900 -0.093 0.000 1.313 305 G CA -0.422 44.760 45.100 0.136 0.000 0.903 305 G HN 0.306 nan 8.290 nan 0.000 0.490 306 P HA 0.083 nan 4.420 nan 0.000 0.226 306 P C 1.218 178.304 177.300 -0.356 0.000 1.153 306 P CA 0.953 63.752 63.100 -0.501 0.000 0.777 306 P CB 0.071 31.313 31.700 -0.762 0.000 0.794 307 W N 0.121 121.431 121.300 0.017 0.000 2.678 307 W HA 0.324 4.482 4.660 -0.836 0.000 0.256 307 W C 1.047 177.602 176.519 0.060 0.000 1.280 307 W CA 1.100 58.447 57.345 0.003 0.000 1.345 307 W CB -0.863 28.525 29.460 -0.121 0.000 1.118 307 W HN 0.020 nan 8.180 nan 0.000 0.629 308 G N 0.247 109.224 108.800 0.295 0.000 2.610 308 G HA2 -0.183 3.274 3.960 -0.839 0.000 0.304 308 G HA3 -0.183 3.274 3.960 -0.839 0.000 0.304 308 G C -3.070 172.033 174.900 0.338 0.000 1.309 308 G CA -1.338 43.905 45.100 0.240 0.000 0.906 308 G HN -0.278 nan 8.290 nan 0.000 0.521 309 P HA 0.382 nan 4.420 nan 0.000 0.271 309 P C -0.241 177.182 177.300 0.206 0.000 1.216 309 P CA 0.445 63.630 63.100 0.141 0.000 0.776 309 P CB 0.710 32.446 31.700 0.059 0.000 0.881 310 H N 0.133 119.237 119.070 0.057 0.000 2.987 310 H HA 0.695 4.753 4.556 -0.829 0.000 0.316 310 H C -1.820 173.517 175.328 0.015 0.000 1.380 310 H CA -1.178 54.890 56.048 0.033 0.000 1.160 310 H CB 0.496 30.272 29.762 0.023 0.000 1.865 310 H HN 0.432 nan 8.280 nan 0.000 0.521 311 A N 1.483 124.372 122.820 0.116 0.000 2.269 311 A HA 0.563 4.379 4.320 -0.839 0.000 0.327 311 A C -0.326 177.393 177.584 0.224 0.000 1.112 311 A CA -0.948 51.164 52.037 0.126 0.000 0.865 311 A CB 0.984 20.123 19.000 0.232 0.000 1.227 311 A HN 0.526 nan 8.150 nan 0.000 0.498 312 K N 0.367 120.874 120.400 0.179 0.000 2.138 312 K HA 0.452 4.268 4.320 -0.839 0.000 0.263 312 K C -1.517 175.112 176.600 0.047 0.000 0.965 312 K CA -0.548 55.801 56.287 0.103 0.000 0.868 312 K CB 1.780 34.326 32.500 0.077 0.000 1.083 312 K HN 0.458 nan 8.250 nan 0.000 0.443 313 L N 2.849 124.058 121.223 -0.024 0.000 2.301 313 L HA 0.287 4.123 4.340 -0.839 0.000 0.278 313 L C -0.281 176.523 176.870 -0.109 0.000 1.022 313 L CA -0.294 54.508 54.840 -0.063 0.000 0.854 313 L CB 0.745 42.768 42.059 -0.060 0.000 1.226 313 L HN 0.467 nan 8.230 nan 0.000 0.429 314 K N 4.578 124.873 120.400 -0.175 0.000 2.312 314 K HA 0.372 4.188 4.320 -0.839 0.000 0.287 314 K C -0.042 176.432 176.600 -0.210 0.000 1.062 314 K CA -0.084 56.075 56.287 -0.213 0.000 0.934 314 K CB 0.630 32.928 32.500 -0.337 0.000 1.027 314 K HN 0.871 nan 8.250 nan 0.000 0.478 315 L N 3.418 124.563 121.223 -0.129 0.000 2.902 315 L HA 0.025 3.861 4.340 -0.839 0.000 0.254 315 L C 1.393 178.147 176.870 -0.193 0.000 1.115 315 L CA -0.070 54.659 54.840 -0.185 0.000 0.947 315 L CB 0.251 42.224 42.059 -0.143 0.000 1.369 315 L HN 0.803 nan 8.230 nan 0.000 0.538 316 D N 0.585 120.946 120.400 -0.065 0.000 2.228 316 D HA -0.297 3.839 4.640 -0.839 0.000 0.203 316 D C 1.568 177.859 176.300 -0.015 0.000 0.988 316 D CA 1.581 55.561 54.000 -0.033 0.000 0.864 316 D CB -0.431 40.373 40.800 0.007 0.000 0.928 316 D HN 0.581 nan 8.370 nan 0.000 0.469 317 H N 1.037 120.076 119.070 -0.052 0.000 2.546 317 H HA 0.033 4.085 4.556 -0.840 0.000 0.277 317 H C 2.072 177.399 175.328 -0.003 0.000 1.004 317 H CA 0.198 56.237 56.048 -0.014 0.000 1.231 317 H CB -0.525 29.244 29.762 0.011 0.000 1.382 317 H HN 0.234 nan 8.280 nan 0.000 0.580 318 L N 0.551 121.536 121.223 -0.397 0.000 2.478 318 L HA 0.175 4.011 4.340 -0.839 0.000 0.223 318 L C 0.932 177.740 176.870 -0.104 0.000 1.140 318 L CA 0.488 55.176 54.840 -0.254 0.000 0.842 318 L CB -0.313 41.575 42.059 -0.285 0.000 0.953 318 L HN 0.539 nan 8.230 nan 0.000 0.452 319 G N 0.568 109.324 108.800 -0.074 0.000 2.721 319 G HA2 -0.227 3.229 3.960 -0.839 0.000 0.686 319 G HA3 -0.227 3.229 3.960 -0.839 0.000 0.686 319 G C 0.256 175.132 174.900 -0.041 0.000 1.236 319 G CA -0.031 45.047 45.100 -0.036 0.000 0.786 319 G HN 0.097 nan 8.290 nan 0.000 0.616 320 K N 0.248 120.632 120.400 -0.028 0.000 2.044 320 K HA -0.173 3.643 4.320 -0.839 0.000 0.210 320 K C 2.225 178.807 176.600 -0.030 0.000 1.049 320 K CA 2.197 58.467 56.287 -0.028 0.000 0.927 320 K CB -0.168 32.321 32.500 -0.019 0.000 0.713 320 K HN 0.674 nan 8.250 nan 0.000 0.443 321 E N -0.120 120.065 120.200 -0.026 0.000 2.085 321 E HA -0.187 3.659 4.350 -0.839 0.000 0.194 321 E C 1.853 178.432 176.600 -0.035 0.000 0.994 321 E CA 1.461 57.845 56.400 -0.027 0.000 0.801 321 E CB 0.137 29.825 29.700 -0.020 0.000 0.743 321 E HN 0.133 nan 8.360 nan 0.000 0.453 322 V N 0.704 120.595 119.914 -0.038 0.000 2.488 322 V HA -0.192 3.425 4.120 -0.839 0.000 0.246 322 V C 2.284 178.349 176.094 -0.048 0.000 1.046 322 V CA 1.129 63.403 62.300 -0.044 0.000 1.053 322 V CB -0.232 31.568 31.823 -0.039 0.000 0.679 322 V HN 0.309 nan 8.190 nan 0.000 0.458 323 L N -0.455 120.738 121.223 -0.051 0.000 2.027 323 L HA -0.164 3.673 4.340 -0.839 0.000 0.206 323 L C 2.474 179.320 176.870 -0.041 0.000 1.074 323 L CA 1.657 56.467 54.840 -0.050 0.000 0.745 323 L CB -0.490 41.535 42.059 -0.055 0.000 0.898 323 L HN 0.327 nan 8.230 nan 0.000 0.433 324 E N -1.031 119.146 120.200 -0.039 0.000 2.338 324 E HA -0.189 3.657 4.350 -0.839 0.000 0.197 324 E C 2.181 178.757 176.600 -0.040 0.000 1.007 324 E CA 1.156 57.534 56.400 -0.036 0.000 0.849 324 E CB 0.123 29.803 29.700 -0.032 0.000 0.774 324 E HN 0.326 nan 8.360 nan 0.000 0.506 325 S N -0.428 115.243 115.700 -0.048 0.000 2.506 325 S HA 0.048 4.015 4.470 -0.839 0.000 0.230 325 S C 1.772 176.326 174.600 -0.076 0.000 1.066 325 S CA -0.012 58.150 58.200 -0.062 0.000 0.940 325 S CB 0.294 63.451 63.200 -0.071 0.000 0.818 325 S HN 0.017 nan 8.310 nan 0.000 0.518 326 R N 0.593 121.051 120.500 -0.070 0.000 2.189 326 R HA 0.424 4.260 4.340 -0.839 0.000 0.203 326 R C 0.561 176.855 176.300 -0.010 0.000 1.012 326 R CA 0.484 56.546 56.100 -0.064 0.000 1.015 326 R CB -0.461 29.809 30.300 -0.050 0.000 0.938 326 R HN 0.415 nan 8.270 nan 0.000 0.472 327 L N 1.631 122.846 121.223 -0.013 0.000 3.313 327 L HA 0.249 4.085 4.340 -0.839 0.000 0.320 327 L C -1.664 175.199 176.870 -0.011 0.000 1.304 327 L CA -0.707 54.134 54.840 0.001 0.000 0.920 327 L CB 1.525 43.584 42.059 -0.000 0.000 1.357 327 L HN -0.098 nan 8.230 nan 0.000 0.602 328 P HA -0.106 nan 4.420 nan 0.000 0.223 328 P C 1.461 178.748 177.300 -0.021 0.000 1.151 328 P CA 1.274 64.359 63.100 -0.025 0.000 0.787 328 P CB 0.396 32.077 31.700 -0.032 0.000 0.788 329 G N 1.473 110.264 108.800 -0.014 0.000 2.394 329 G HA2 -0.190 3.266 3.960 -0.839 0.000 0.215 329 G HA3 -0.190 3.266 3.960 -0.839 0.000 0.215 329 G C 1.495 176.398 174.900 0.006 0.000 1.165 329 G CA 0.886 45.981 45.100 -0.009 0.000 0.784 329 G HN 0.388 nan 8.290 nan 0.000 0.535 330 I N -0.934 119.640 120.570 0.006 0.000 2.676 330 I HA 0.105 3.771 4.170 -0.839 0.000 0.259 330 I C 2.342 178.460 176.117 0.002 0.000 1.194 330 I CA 0.710 62.015 61.300 0.008 0.000 1.473 330 I CB -0.313 37.686 38.000 -0.002 0.000 1.096 330 I HN 0.037 nan 8.210 nan 0.000 0.443 331 L N 0.616 121.834 121.223 -0.009 0.000 2.012 331 L HA -0.201 3.635 4.340 -0.839 0.000 0.210 331 L C 2.702 179.564 176.870 -0.013 0.000 1.073 331 L CA 1.946 56.776 54.840 -0.017 0.000 0.748 331 L CB -0.687 41.358 42.059 -0.024 0.000 0.891 331 L HN 0.337 nan 8.230 nan 0.000 0.431 332 E N -0.035 120.159 120.200 -0.010 0.000 2.072 332 E HA -0.184 3.662 4.350 -0.839 0.000 0.191 332 E C 2.383 178.993 176.600 0.016 0.000 0.985 332 E CA 0.839 57.230 56.400 -0.014 0.000 0.801 332 E CB -0.011 29.680 29.700 -0.016 0.000 0.750 332 E HN 0.386 nan 8.360 nan 0.000 0.452 333 L N 0.246 121.511 121.223 0.070 0.000 2.046 333 L HA -0.204 3.632 4.340 -0.839 0.000 0.208 333 L C 2.634 179.607 176.870 0.172 0.000 1.077 333 L CA 1.119 56.068 54.840 0.180 0.000 0.747 333 L CB -0.441 41.705 42.059 0.145 0.000 0.896 333 L HN 0.171 nan 8.230 nan 0.000 0.432 334 S N -0.082 115.662 115.700 0.073 0.000 2.355 334 S HA -0.163 3.804 4.470 -0.839 0.000 0.222 334 S C 2.118 176.739 174.600 0.036 0.000 1.031 334 S CA 1.046 59.277 58.200 0.051 0.000 0.993 334 S CB -0.042 63.159 63.200 0.001 0.000 0.859 334 S HN 0.297 nan 8.310 nan 0.000 0.453 335 R N 0.084 120.575 120.500 -0.015 0.000 2.091 335 R HA -0.038 3.799 4.340 -0.839 0.000 0.238 335 R C 2.492 178.677 176.300 -0.193 0.000 1.136 335 R CA 2.034 58.088 56.100 -0.076 0.000 0.959 335 R CB -0.747 29.503 30.300 -0.083 0.000 0.856 335 R HN 0.432 nan 8.270 nan 0.000 0.437 336 T N -0.053 114.383 114.554 -0.198 0.000 2.732 336 T HA -0.041 3.805 4.350 -0.839 0.000 0.261 336 T C 1.175 175.615 174.700 -0.433 0.000 1.040 336 T CA 1.203 63.056 62.100 -0.412 0.000 1.145 336 T CB -0.126 68.422 68.868 -0.532 0.000 0.866 336 T HN 0.094 nan 8.240 nan 0.000 0.427 337 F N 0.380 120.350 119.950 0.034 0.000 2.749 337 F HA 0.537 4.561 4.527 -0.839 0.000 0.300 337 F C 2.001 177.933 175.800 0.220 0.000 1.103 337 F CA -0.231 57.843 58.000 0.123 0.000 1.342 337 F CB 0.112 39.162 39.000 0.083 0.000 1.098 337 F HN 0.153 nan 8.300 nan 0.000 0.586 338 A N -2.080 120.953 122.820 0.355 0.000 2.390 338 A HA 0.259 4.075 4.320 -0.839 0.000 0.225 338 A C 0.190 178.107 177.584 0.554 0.000 1.232 338 A CA -0.052 52.242 52.037 0.428 0.000 0.964 338 A CB -0.580 18.509 19.000 0.148 0.000 1.064 338 A HN 0.376 nan 8.150 nan 0.000 0.525 339 H N -1.490 117.689 119.070 0.182 0.000 2.820 339 H HA -0.139 3.912 4.556 -0.840 0.000 0.295 339 H C -0.486 174.933 175.328 0.153 0.000 1.187 339 H CA 0.783 56.912 56.048 0.135 0.000 1.144 339 H CB -2.090 27.741 29.762 0.115 0.000 1.354 339 H HN 0.239 nan 8.280 nan 0.000 0.395 340 V N 0.456 120.481 119.914 0.186 0.000 2.588 340 V HA 0.234 3.851 4.120 -0.839 0.000 0.304 340 V C 0.136 176.253 176.094 0.038 0.000 1.042 340 V CA -0.882 61.487 62.300 0.115 0.000 0.877 340 V CB 2.188 34.039 31.823 0.048 0.000 0.996 340 V HN 0.252 nan 8.190 nan 0.000 0.425 341 D N 6.372 126.789 120.400 0.029 0.000 2.380 341 D HA 0.362 4.499 4.640 -0.839 0.000 0.230 341 D C -1.775 174.519 176.300 -0.010 0.000 1.154 341 D CA -2.157 51.846 54.000 0.003 0.000 0.859 341 D CB 2.108 42.912 40.800 0.007 0.000 1.045 341 D HN 0.191 nan 8.370 nan 0.000 0.495 342 P HA -0.087 nan 4.420 nan 0.000 0.230 342 P C 1.319 178.595 177.300 -0.040 0.000 1.158 342 P CA 0.337 63.413 63.100 -0.041 0.000 0.769 342 P CB 0.375 32.045 31.700 -0.049 0.000 0.807 343 V N -0.166 119.730 119.914 -0.029 0.000 2.667 343 V HA -0.158 3.459 4.120 -0.839 0.000 0.252 343 V C 2.086 178.172 176.094 -0.013 0.000 1.065 343 V CA 1.603 63.887 62.300 -0.026 0.000 1.083 343 V CB -0.838 30.973 31.823 -0.021 0.000 0.692 343 V HN 0.193 nan 8.190 nan 0.000 0.468 344 K N 0.064 120.461 120.400 -0.005 0.000 2.240 344 K HA 0.259 4.075 4.320 -0.839 0.000 0.202 344 K C 0.840 177.446 176.600 0.009 0.000 1.053 344 K CA 0.290 56.581 56.287 0.008 0.000 0.973 344 K CB 0.782 33.292 32.500 0.016 0.000 0.924 344 K HN 0.462 nan 8.250 nan 0.000 0.477 345 E N 1.568 121.770 120.200 0.003 0.000 2.314 345 E HA 0.302 4.149 4.350 -0.839 0.000 0.272 345 E C -2.841 173.740 176.600 -0.032 0.000 0.884 345 E CA -2.432 53.969 56.400 0.002 0.000 0.753 345 E CB 2.582 32.299 29.700 0.029 0.000 1.213 345 E HN -0.233 nan 8.360 nan 0.000 0.432 346 P HA 0.062 nan 4.420 nan 0.000 0.266 346 P C -0.462 176.754 177.300 -0.140 0.000 1.195 346 P CA 0.400 63.452 63.100 -0.080 0.000 0.768 346 P CB 0.349 32.015 31.700 -0.056 0.000 0.838 347 I N 5.548 126.027 120.570 -0.152 0.000 2.496 347 I HA 0.146 3.813 4.170 -0.839 0.000 0.285 347 I C -1.751 174.185 176.117 -0.302 0.000 1.080 347 I CA -2.059 59.108 61.300 -0.222 0.000 1.404 347 I CB 0.639 38.553 38.000 -0.143 0.000 1.403 347 I HN 0.179 nan 8.210 nan 0.000 0.539 348 P HA 0.151 nan 4.420 nan 0.000 0.276 348 P C -1.007 176.091 177.300 -0.336 0.000 1.243 348 P CA -0.065 62.611 63.100 -0.706 0.000 0.768 348 P CB 1.019 31.745 31.700 -1.622 0.000 0.856 349 V N 2.391 122.254 119.914 -0.084 0.000 2.808 349 V HA 0.684 4.301 4.120 -0.839 0.000 0.308 349 V C -0.716 175.428 176.094 0.082 0.000 1.099 349 V CA -0.992 61.306 62.300 -0.003 0.000 0.920 349 V CB 2.354 34.180 31.823 0.005 0.000 1.014 349 V HN 0.529 nan 8.190 nan 0.000 0.425 350 I N 3.747 124.364 120.570 0.078 0.000 2.619 350 I HA 0.666 4.332 4.170 -0.839 0.000 0.292 350 I C -2.771 173.404 176.117 0.096 0.000 1.100 350 I CA -2.529 58.828 61.300 0.095 0.000 1.043 350 I CB 3.347 41.413 38.000 0.109 0.000 1.239 350 I HN 0.520 nan 8.210 nan 0.000 0.420 351 P HA 0.068 nan 4.420 nan 0.000 0.261 351 P C -1.355 176.067 177.300 0.203 0.000 1.173 351 P CA 0.423 63.602 63.100 0.131 0.000 0.760 351 P CB 0.344 32.086 31.700 0.070 0.000 0.783 352 T N 2.368 117.066 114.554 0.240 0.000 2.893 352 T HA 0.215 4.062 4.350 -0.839 0.000 0.293 352 T C -0.470 174.302 174.700 0.121 0.000 1.027 352 T CA -0.443 61.782 62.100 0.209 0.000 0.988 352 T CB 1.063 69.991 68.868 0.101 0.000 1.043 352 T HN 0.417 nan 8.240 nan 0.000 0.461 353 C N 3.136 122.363 119.300 -0.121 0.000 2.596 353 C HA 0.256 4.212 4.460 -0.839 0.000 0.414 353 C C 1.348 176.232 174.990 -0.176 0.000 1.396 353 C CA 0.867 59.473 59.018 -0.687 0.000 1.698 353 C CB -1.217 25.971 27.740 -0.920 0.000 2.572 353 C HN 1.141 nan 8.230 nan 0.000 0.604 354 H N 2.230 121.182 119.070 -0.198 0.000 1.955 354 H HA 0.287 4.342 4.556 -0.836 0.000 0.196 354 H C -0.922 174.490 175.328 0.141 0.000 0.891 354 H CA 0.548 56.615 56.048 0.031 0.000 1.001 354 H CB 0.160 29.996 29.762 0.123 0.000 1.195 354 H HN 0.726 nan 8.280 nan 0.000 0.384 355 Y N 1.293 121.556 120.300 -0.062 0.000 2.442 355 Y HA 0.373 4.419 4.550 -0.841 0.000 0.344 355 Y C -1.133 174.590 175.900 -0.294 0.000 0.976 355 Y CA -1.244 56.742 58.100 -0.189 0.000 1.040 355 Y CB 1.665 40.026 38.460 -0.165 0.000 1.228 355 Y HN 0.182 nan 8.280 nan 0.000 0.451 356 M N 7.659 126.626 119.600 -1.055 0.000 2.111 356 M HA 0.224 4.201 4.480 -0.839 0.000 0.351 356 M C -0.509 175.212 176.300 -0.965 0.000 1.214 356 M CA -0.298 54.195 55.300 -1.345 0.000 1.120 356 M CB 0.959 32.816 32.600 -1.238 0.000 1.443 356 M HN 1.070 nan 8.290 nan 0.000 0.429 357 M N 3.294 122.572 119.600 -0.536 0.000 2.132 357 M HA 0.100 4.076 4.480 -0.839 0.000 0.263 357 M C 1.331 177.535 176.300 -0.160 0.000 1.065 357 M CA 1.449 56.689 55.300 -0.100 0.000 1.122 357 M CB -0.354 32.259 32.600 0.021 0.000 1.365 357 M HN 0.795 nan 8.290 nan 0.000 0.411 358 G N -1.144 107.472 108.800 -0.306 0.000 2.529 358 G HA2 0.476 3.932 3.960 -0.839 0.000 0.277 358 G HA3 0.476 3.932 3.960 -0.839 0.000 0.277 358 G C 0.181 174.957 174.900 -0.208 0.000 1.383 358 G CA -0.096 44.880 45.100 -0.206 0.000 1.050 358 G HN 0.695 nan 8.290 nan 0.000 0.526 359 G N -2.039 106.678 108.800 -0.138 0.000 2.325 359 G HA2 0.201 3.658 3.960 -0.839 0.000 0.285 359 G HA3 0.201 3.658 3.960 -0.839 0.000 0.285 359 G C -0.804 174.049 174.900 -0.079 0.000 1.303 359 G CA -0.575 44.458 45.100 -0.111 0.000 0.970 359 G HN 0.771 nan 8.290 nan 0.000 0.490 360 I N 3.192 123.720 120.570 -0.070 0.000 2.517 360 I HA 0.264 3.930 4.170 -0.839 0.000 0.285 360 I C -1.583 174.479 176.117 -0.092 0.000 1.106 360 I CA -1.414 59.848 61.300 -0.063 0.000 1.402 360 I CB 1.232 39.202 38.000 -0.049 0.000 1.399 360 I HN 0.189 nan 8.210 nan 0.000 0.535 361 P HA 0.073 nan 4.420 nan 0.000 0.267 361 P C -0.579 176.641 177.300 -0.135 0.000 1.205 361 P CA -0.044 62.974 63.100 -0.137 0.000 0.765 361 P CB 0.546 32.170 31.700 -0.127 0.000 0.828 362 T N 0.133 114.591 114.554 -0.160 0.000 2.896 362 T HA 0.526 4.372 4.350 -0.839 0.000 0.297 362 T C -0.174 174.427 174.700 -0.165 0.000 1.108 362 T CA -1.063 60.946 62.100 -0.151 0.000 1.004 362 T CB 1.749 70.531 68.868 -0.143 0.000 1.159 362 T HN 0.090 nan 8.240 nan 0.000 0.499 363 K N 0.534 120.849 120.400 -0.141 0.000 2.102 363 K HA 0.476 4.292 4.320 -0.839 0.000 0.244 363 K C 1.407 177.918 176.600 -0.148 0.000 1.021 363 K CA -0.671 55.533 56.287 -0.139 0.000 0.913 363 K CB 0.581 33.007 32.500 -0.123 0.000 1.062 363 K HN 0.373 nan 8.250 nan 0.000 0.485 364 V N 0.898 120.718 119.914 -0.156 0.000 2.392 364 V HA -0.285 3.331 4.120 -0.839 0.000 0.249 364 V C 2.200 178.256 176.094 -0.064 0.000 1.059 364 V CA 2.422 64.650 62.300 -0.120 0.000 1.051 364 V CB -1.149 30.505 31.823 -0.282 0.000 0.658 364 V HN 1.057 nan 8.190 nan 0.000 0.455 365 T N -2.073 112.397 114.554 -0.140 0.000 2.946 365 T HA 0.004 3.851 4.350 -0.839 0.000 0.271 365 T C 1.686 176.472 174.700 0.143 0.000 1.104 365 T CA 1.460 63.532 62.100 -0.047 0.000 1.114 365 T CB -0.215 68.610 68.868 -0.071 0.000 0.867 365 T HN 1.068 nan 8.240 nan 0.000 0.513 366 G N 0.383 109.246 108.800 0.104 0.000 2.213 366 G HA2 -0.251 3.205 3.960 -0.839 0.000 0.236 366 G HA3 -0.251 3.205 3.960 -0.839 0.000 0.236 366 G C -0.048 174.967 174.900 0.192 0.000 0.991 366 G CA -0.010 45.198 45.100 0.180 0.000 0.629 366 G HN 0.674 nan 8.290 nan 0.000 0.517 367 Q N 0.869 120.695 119.800 0.043 0.000 2.315 367 Q HA 0.492 4.328 4.340 -0.839 0.000 0.289 367 Q C 0.682 176.528 176.000 -0.257 0.000 1.044 367 Q CA 0.503 56.100 55.803 -0.342 0.000 0.920 367 Q CB 0.823 29.381 28.738 -0.300 0.000 1.214 367 Q HN 0.823 nan 8.270 nan 0.000 0.392 368 A N 3.662 126.292 122.820 -0.317 0.000 2.310 368 A HA 0.569 4.385 4.320 -0.839 0.000 0.299 368 A C -0.688 176.796 177.584 -0.167 0.000 1.147 368 A CA -0.538 51.387 52.037 -0.186 0.000 0.818 368 A CB 0.525 19.437 19.000 -0.146 0.000 1.096 368 A HN 0.701 nan 8.150 nan 0.000 0.495 369 L N 1.009 122.156 121.223 -0.127 0.000 2.331 369 L HA 0.708 4.545 4.340 -0.839 0.000 0.275 369 L C 0.535 177.353 176.870 -0.086 0.000 1.022 369 L CA -0.403 54.373 54.840 -0.107 0.000 0.812 369 L CB 2.181 44.179 42.059 -0.101 0.000 1.257 369 L HN 0.816 nan 8.230 nan 0.000 0.435 370 T N 0.830 115.339 114.554 -0.076 0.000 2.864 370 T HA 0.702 4.548 4.350 -0.839 0.000 0.289 370 T C -1.216 173.451 174.700 -0.055 0.000 1.082 370 T CA -0.500 61.562 62.100 -0.063 0.000 1.009 370 T CB 1.866 70.697 68.868 -0.062 0.000 1.234 370 T HN 0.395 nan 8.240 nan 0.000 0.526 371 V N 2.212 122.096 119.914 -0.050 0.000 2.667 371 V HA 0.758 4.375 4.120 -0.839 0.000 0.308 371 V C 0.093 176.162 176.094 -0.041 0.000 1.048 371 V CA -1.159 61.116 62.300 -0.041 0.000 0.928 371 V CB 1.310 33.112 31.823 -0.035 0.000 1.004 371 V HN 1.007 nan 8.190 nan 0.000 0.444 372 N N 2.289 120.969 118.700 -0.034 0.000 2.418 372 N HA 0.158 4.394 4.740 -0.839 0.000 0.283 372 N C 0.940 176.432 175.510 -0.029 0.000 1.267 372 N CA -0.051 52.980 53.050 -0.032 0.000 0.975 372 N CB 0.107 38.577 38.487 -0.027 0.000 1.167 372 N HN 0.846 nan 8.380 nan 0.000 0.581 373 E N -0.350 119.834 120.200 -0.026 0.000 2.265 373 E HA -0.201 3.645 4.350 -0.839 0.000 0.196 373 E C 0.453 177.042 176.600 -0.019 0.000 0.996 373 E CA 1.150 57.536 56.400 -0.024 0.000 0.832 373 E CB -0.335 29.352 29.700 -0.021 0.000 0.756 373 E HN 0.633 nan 8.360 nan 0.000 0.491 374 K N -0.069 120.320 120.400 -0.017 0.000 2.426 374 K HA 0.133 3.950 4.320 -0.839 0.000 0.193 374 K C 1.170 177.763 176.600 -0.012 0.000 1.028 374 K CA 0.484 56.763 56.287 -0.013 0.000 1.047 374 K CB 0.550 33.043 32.500 -0.012 0.000 0.821 374 K HN 0.331 nan 8.250 nan 0.000 0.513 375 G N 1.762 110.553 108.800 -0.015 0.000 2.194 375 G HA2 -0.254 3.202 3.960 -0.839 0.000 0.236 375 G HA3 -0.254 3.202 3.960 -0.839 0.000 0.236 375 G C -0.267 174.627 174.900 -0.011 0.000 0.987 375 G CA -0.232 44.860 45.100 -0.012 0.000 0.635 375 G HN 0.356 nan 8.290 nan 0.000 0.520 376 E N 1.230 121.421 120.200 -0.014 0.000 2.390 376 E HA 0.370 4.217 4.350 -0.839 0.000 0.261 376 E C -0.571 176.016 176.600 -0.022 0.000 1.076 376 E CA -0.361 56.030 56.400 -0.015 0.000 0.905 376 E CB 0.509 30.199 29.700 -0.016 0.000 0.984 376 E HN 0.278 nan 8.360 nan 0.000 0.427 377 D N 1.445 121.830 120.400 -0.024 0.000 2.351 377 D HA 0.168 4.304 4.640 -0.839 0.000 0.251 377 D C -0.399 175.876 176.300 -0.042 0.000 1.137 377 D CA -0.102 53.877 54.000 -0.036 0.000 0.879 377 D CB 1.188 41.964 40.800 -0.039 0.000 1.181 377 D HN 0.175 nan 8.370 nan 0.000 0.448 378 V N -0.165 119.719 119.914 -0.050 0.000 2.823 378 V HA 0.555 4.171 4.120 -0.839 0.000 0.312 378 V C -0.366 175.685 176.094 -0.073 0.000 1.072 378 V CA -0.875 61.392 62.300 -0.055 0.000 0.937 378 V CB 1.945 33.740 31.823 -0.047 0.000 1.013 378 V HN 0.234 nan 8.190 nan 0.000 0.430 379 V N 4.426 124.291 119.914 -0.083 0.000 2.614 379 V HA 0.244 3.861 4.120 -0.839 0.000 0.291 379 V C 0.446 176.470 176.094 -0.118 0.000 1.049 379 V CA -0.279 61.951 62.300 -0.117 0.000 1.038 379 V CB 1.365 33.109 31.823 -0.131 0.000 0.980 379 V HN 0.777 nan 8.190 nan 0.000 0.481 380 V N 7.594 127.421 119.914 -0.145 0.000 2.387 380 V HA 0.183 3.800 4.120 -0.839 0.000 0.260 380 V C -2.105 173.892 176.094 -0.162 0.000 1.054 380 V CA -1.538 60.685 62.300 -0.129 0.000 0.967 380 V CB 0.492 32.245 31.823 -0.118 0.000 1.036 380 V HN 0.792 nan 8.190 nan 0.000 0.481 381 P HA 0.216 nan 4.420 nan 0.000 0.267 381 P C 1.071 178.334 177.300 -0.063 0.000 1.205 381 P CA 1.066 64.110 63.100 -0.092 0.000 0.765 381 P CB 0.728 32.405 31.700 -0.039 0.000 0.828 382 G N 1.430 110.207 108.800 -0.039 0.000 2.184 382 G HA2 -0.251 3.205 3.960 -0.839 0.000 0.264 382 G HA3 -0.251 3.205 3.960 -0.839 0.000 0.264 382 G C -0.293 174.686 174.900 0.132 0.000 0.975 382 G CA 0.049 45.219 45.100 0.117 0.000 0.642 382 G HN 0.581 nan 8.290 nan 0.000 0.536 383 L N 0.167 121.334 121.223 -0.093 0.000 2.346 383 L HA 0.925 4.761 4.340 -0.839 0.000 0.276 383 L C -0.674 176.036 176.870 -0.267 0.000 1.006 383 L CA -1.472 53.348 54.840 -0.033 0.000 0.817 383 L CB 1.131 43.157 42.059 -0.056 0.000 1.272 383 L HN 0.051 nan 8.230 nan 0.000 0.421 384 F N 3.067 123.005 119.950 -0.019 0.000 2.613 384 F HA 0.879 4.902 4.527 -0.840 0.000 0.314 384 F C -0.109 175.673 175.800 -0.030 0.000 1.075 384 F CA -0.604 57.382 58.000 -0.023 0.000 0.945 384 F CB 2.205 41.198 39.000 -0.012 0.000 1.310 384 F HN 0.611 nan 8.300 nan 0.000 0.467 385 A N 1.090 124.002 122.820 0.153 0.000 2.520 385 A HA 0.875 4.692 4.320 -0.839 0.000 0.298 385 A C -1.607 176.011 177.584 0.056 0.000 1.051 385 A CA -0.748 51.329 52.037 0.067 0.000 0.690 385 A CB 1.759 20.763 19.000 0.007 0.000 1.281 385 A HN 1.251 nan 8.150 nan 0.000 0.402 386 V N -0.780 119.162 119.914 0.047 0.000 3.012 386 V HA 0.998 4.615 4.120 -0.839 0.000 0.307 386 V C 0.311 176.442 176.094 0.061 0.000 1.166 386 V CA 0.292 62.632 62.300 0.067 0.000 0.974 386 V CB 0.904 32.790 31.823 0.105 0.000 1.040 386 V HN 2.965 nan 8.190 nan 0.000 0.428 387 G N 2.075 110.933 108.800 0.098 0.000 2.545 387 G HA2 -0.184 3.273 3.960 -0.839 0.000 0.216 387 G HA3 -0.184 3.273 3.960 -0.839 0.000 0.216 387 G C 0.457 175.406 174.900 0.082 0.000 1.314 387 G CA 0.686 45.852 45.100 0.111 0.000 0.906 387 G HN 1.288 nan 8.290 nan 0.000 0.563 388 E N -0.831 119.394 120.200 0.043 0.000 2.118 388 E HA -0.139 3.707 4.350 -0.839 0.000 0.195 388 E C 2.526 179.031 176.600 -0.158 0.000 0.992 388 E CA 1.484 57.821 56.400 -0.106 0.000 0.804 388 E CB -0.121 29.440 29.700 -0.231 0.000 0.741 388 E HN 0.455 nan 8.360 nan 0.000 0.458 389 I N 0.620 121.133 120.570 -0.094 0.000 2.850 389 I HA -0.068 3.598 4.170 -0.839 0.000 0.266 389 I C 0.420 176.491 176.117 -0.077 0.000 1.257 389 I CA 0.385 61.632 61.300 -0.089 0.000 1.465 389 I CB -0.401 37.566 38.000 -0.055 0.000 1.091 389 I HN -0.013 nan 8.210 nan 0.000 0.467 390 A N -0.491 122.293 122.820 -0.059 0.000 2.303 390 A HA 0.495 4.311 4.320 -0.839 0.000 0.317 390 A C -0.378 177.156 177.584 -0.083 0.000 1.149 390 A CA -0.440 51.554 52.037 -0.071 0.000 0.822 390 A CB 0.680 19.636 19.000 -0.073 0.000 1.131 390 A HN 0.344 nan 8.150 nan 0.000 0.493 391 C N 3.862 123.093 119.300 -0.115 0.000 2.409 391 C HA 0.469 4.426 4.460 -0.839 0.000 0.297 391 C C 1.376 176.248 174.990 -0.197 0.000 1.083 391 C CA -0.428 58.514 59.018 -0.126 0.000 1.515 391 C CB -1.355 26.308 27.740 -0.129 0.000 1.869 391 C HN 0.673 nan 8.230 nan 0.000 0.413 392 V N 3.566 123.335 119.914 -0.242 0.000 2.270 392 V HA -0.007 3.610 4.120 -0.839 0.000 0.245 392 V C 1.409 177.346 176.094 -0.262 0.000 1.043 392 V CA 1.730 63.826 62.300 -0.341 0.000 1.014 392 V CB -0.413 31.036 31.823 -0.623 0.000 0.645 392 V HN 0.814 nan 8.190 nan 0.000 0.447 393 S N -0.290 115.294 115.700 -0.193 0.000 2.498 393 S HA 0.401 4.367 4.470 -0.839 0.000 0.317 393 S C 0.207 174.739 174.600 -0.113 0.000 1.090 393 S CA -0.314 57.802 58.200 -0.140 0.000 1.089 393 S CB 1.722 64.897 63.200 -0.043 0.000 0.997 393 S HN 0.292 nan 8.310 nan 0.000 0.470 394 V N 3.136 122.890 119.914 -0.267 0.000 3.621 394 V HA 0.413 4.029 4.120 -0.839 0.000 0.285 394 V C 0.887 176.750 176.094 -0.386 0.000 1.346 394 V CA 0.315 62.435 62.300 -0.301 0.000 1.104 394 V CB -0.793 30.866 31.823 -0.274 0.000 0.913 394 V HN 0.923 nan 8.190 nan 0.000 0.432 395 H N 0.404 119.512 119.070 0.064 0.000 3.017 395 H HA 0.419 4.472 4.556 -0.838 0.000 0.255 395 H C 1.959 177.323 175.328 0.061 0.000 0.990 395 H CA 0.505 56.585 56.048 0.053 0.000 1.205 395 H CB 0.795 30.593 29.762 0.061 0.000 1.460 395 H HN 0.480 nan 8.280 nan 0.000 0.478 396 G N 1.695 110.604 108.800 0.181 0.000 2.698 396 G HA2 -0.444 3.013 3.960 -0.839 0.000 0.337 396 G HA3 -0.444 3.013 3.960 -0.839 0.000 0.337 396 G C 1.307 176.297 174.900 0.150 0.000 1.196 396 G CA 1.953 47.156 45.100 0.171 0.000 0.965 396 G HN 0.632 nan 8.290 nan 0.000 0.550 397 A N -0.037 122.855 122.820 0.119 0.000 2.343 397 A HA 0.600 4.417 4.320 -0.839 0.000 0.223 397 A C 0.681 178.331 177.584 0.111 0.000 1.214 397 A CA 1.531 53.636 52.037 0.115 0.000 0.900 397 A CB 0.169 19.237 19.000 0.114 0.000 0.942 397 A HN 1.531 nan 8.150 nan 0.000 0.507 398 N N -0.606 118.156 118.700 0.103 0.000 2.648 398 N HA 0.199 4.436 4.740 -0.839 0.000 0.272 398 N C -1.011 174.538 175.510 0.066 0.000 1.118 398 N CA -0.388 52.711 53.050 0.082 0.000 0.973 398 N CB 0.991 39.523 38.487 0.076 0.000 1.565 398 N HN 0.250 nan 8.380 nan 0.000 0.542 399 R N 3.719 124.221 120.500 0.003 0.000 2.490 399 R HA 0.425 4.261 4.340 -0.839 0.000 0.280 399 R C -0.427 175.846 176.300 -0.045 0.000 1.077 399 R CA -0.345 55.705 56.100 -0.084 0.000 1.065 399 R CB 0.549 30.510 30.300 -0.565 0.000 1.003 399 R HN 0.541 nan 8.270 nan 0.000 0.470 400 L N 2.480 123.724 121.223 0.035 0.000 2.418 400 L HA 0.321 4.157 4.340 -0.839 0.000 0.265 400 L C 1.047 177.962 176.870 0.075 0.000 1.143 400 L CA -0.563 54.316 54.840 0.065 0.000 0.809 400 L CB 1.144 43.280 42.059 0.129 0.000 1.124 400 L HN 0.814 nan 8.230 nan 0.000 0.456 401 G N -0.095 108.810 108.800 0.175 0.000 2.398 401 G HA2 0.370 3.827 3.960 -0.839 0.000 0.246 401 G HA3 0.370 3.827 3.960 -0.839 0.000 0.246 401 G C 0.899 175.904 174.900 0.174 0.000 1.289 401 G CA 0.404 45.717 45.100 0.355 0.000 0.869 401 G HN 1.039 nan 8.290 nan 0.000 0.543 402 G N 1.934 110.754 108.800 0.033 0.000 2.179 402 G HA2 -0.312 3.144 3.960 -0.839 0.000 0.260 402 G HA3 -0.312 3.144 3.960 -0.839 0.000 0.260 402 G C 1.121 176.006 174.900 -0.025 0.000 0.977 402 G CA 0.666 45.682 45.100 -0.140 0.000 0.641 402 G HN 0.683 nan 8.290 nan 0.000 0.533 403 N N 0.146 118.875 118.700 0.047 0.000 2.424 403 N HA 0.168 4.404 4.740 -0.839 0.000 0.178 403 N C 2.109 177.721 175.510 0.171 0.000 1.060 403 N CA 1.236 54.376 53.050 0.150 0.000 0.901 403 N CB 0.020 38.649 38.487 0.237 0.000 0.979 403 N HN 0.377 nan 8.380 nan 0.000 0.451 404 S N 0.097 115.805 115.700 0.012 0.000 2.371 404 S HA 0.111 4.077 4.470 -0.839 0.000 0.224 404 S C 1.785 176.461 174.600 0.127 0.000 1.029 404 S CA 0.582 58.804 58.200 0.036 0.000 0.978 404 S CB -0.124 63.027 63.200 -0.081 0.000 0.833 404 S HN 0.219 nan 8.310 nan 0.000 0.466 405 L N 0.871 122.142 121.223 0.081 0.000 2.083 405 L HA -0.097 3.739 4.340 -0.839 0.000 0.209 405 L C 2.477 179.399 176.870 0.087 0.000 1.083 405 L CA 0.926 55.812 54.840 0.077 0.000 0.752 405 L CB -0.604 41.484 42.059 0.049 0.000 0.899 405 L HN 0.357 nan 8.230 nan 0.000 0.433 406 L N 0.576 121.854 121.223 0.090 0.000 1.989 406 L HA -0.285 3.551 4.340 -0.839 0.000 0.211 406 L C 2.259 179.194 176.870 0.108 0.000 1.071 406 L CA 2.177 57.065 54.840 0.081 0.000 0.749 406 L CB -0.655 41.464 42.059 0.101 0.000 0.890 406 L HN 0.259 nan 8.230 nan 0.000 0.431 407 D N -0.606 119.927 120.400 0.222 0.000 2.154 407 D HA -0.266 3.870 4.640 -0.839 0.000 0.190 407 D C 2.147 178.647 176.300 0.332 0.000 1.003 407 D CA 2.340 56.571 54.000 0.385 0.000 0.849 407 D CB -0.334 40.756 40.800 0.483 0.000 0.942 407 D HN 0.440 nan 8.370 nan 0.000 0.446 408 L N -0.262 121.096 121.223 0.224 0.000 1.956 408 L HA -0.219 3.618 4.340 -0.839 0.000 0.216 408 L C 2.838 179.778 176.870 0.118 0.000 1.073 408 L CA 1.351 56.289 54.840 0.164 0.000 0.762 408 L CB -0.960 41.167 42.059 0.113 0.000 0.889 408 L HN 0.029 nan 8.230 nan 0.000 0.433 409 V N -0.506 119.450 119.914 0.070 0.000 2.287 409 V HA -0.241 3.375 4.120 -0.839 0.000 0.248 409 V C 2.402 178.490 176.094 -0.009 0.000 1.053 409 V CA 1.677 63.992 62.300 0.025 0.000 1.027 409 V CB -0.339 31.488 31.823 0.007 0.000 0.646 409 V HN 0.226 nan 8.190 nan 0.000 0.447 410 V N -0.987 118.884 119.914 -0.073 0.000 2.323 410 V HA -0.163 3.453 4.120 -0.839 0.000 0.244 410 V C 2.122 178.096 176.094 -0.199 0.000 1.041 410 V CA 2.000 64.158 62.300 -0.236 0.000 1.025 410 V CB -0.678 30.865 31.823 -0.467 0.000 0.656 410 V HN 0.455 nan 8.190 nan 0.000 0.451 411 F N 1.175 121.202 119.950 0.127 0.000 2.335 411 F HA 0.205 4.228 4.527 -0.840 0.000 0.296 411 F C 2.379 178.232 175.800 0.087 0.000 1.091 411 F CA 0.846 58.919 58.000 0.123 0.000 1.399 411 F CB -1.293 37.763 39.000 0.094 0.000 1.067 411 F HN 0.156 nan 8.300 nan 0.000 0.520 412 G N 0.204 109.129 108.800 0.208 0.000 2.459 412 G HA2 -0.307 3.149 3.960 -0.839 0.000 0.217 412 G HA3 -0.307 3.149 3.960 -0.839 0.000 0.217 412 G C 1.841 176.787 174.900 0.077 0.000 1.183 412 G CA 0.931 46.099 45.100 0.114 0.000 0.776 412 G HN 0.252 nan 8.290 nan 0.000 0.552 413 R N 0.531 121.066 120.500 0.059 0.000 2.096 413 R HA 0.045 3.881 4.340 -0.839 0.000 0.235 413 R C 2.866 179.209 176.300 0.071 0.000 1.127 413 R CA 1.385 57.506 56.100 0.036 0.000 0.968 413 R CB -0.344 29.960 30.300 0.007 0.000 0.861 413 R HN 0.313 nan 8.270 nan 0.000 0.440 414 A N 0.704 123.610 122.820 0.142 0.000 1.898 414 A HA -0.073 3.743 4.320 -0.839 0.000 0.216 414 A C 2.337 180.063 177.584 0.237 0.000 1.181 414 A CA 1.534 53.717 52.037 0.243 0.000 0.620 414 A CB -0.711 18.478 19.000 0.314 0.000 0.819 414 A HN 0.509 nan 8.150 nan 0.000 0.442 415 A N -0.518 122.409 122.820 0.180 0.000 1.940 415 A HA 0.095 3.911 4.320 -0.839 0.000 0.219 415 A C 2.331 179.934 177.584 0.031 0.000 1.176 415 A CA 2.008 54.120 52.037 0.125 0.000 0.631 415 A CB -1.211 17.842 19.000 0.088 0.000 0.814 415 A HN 0.680 nan 8.150 nan 0.000 0.446 416 G N -0.452 108.353 108.800 0.009 0.000 2.395 416 G HA2 -0.061 3.396 3.960 -0.839 0.000 0.214 416 G HA3 -0.061 3.396 3.960 -0.839 0.000 0.214 416 G C 1.544 176.416 174.900 -0.046 0.000 1.177 416 G CA 0.790 45.866 45.100 -0.040 0.000 0.794 416 G HN 0.395 nan 8.290 nan 0.000 0.532 417 L N -0.069 121.122 121.223 -0.055 0.000 2.051 417 L HA -0.155 3.682 4.340 -0.839 0.000 0.214 417 L C 2.513 179.236 176.870 -0.246 0.000 1.076 417 L CA 1.230 55.967 54.840 -0.171 0.000 0.758 417 L CB -0.315 41.597 42.059 -0.244 0.000 0.890 417 L HN 0.290 nan 8.230 nan 0.000 0.433 418 H N -1.486 117.593 119.070 0.015 0.000 2.539 418 H HA 0.032 4.084 4.556 -0.839 0.000 0.269 418 H C 1.948 177.292 175.328 0.027 0.000 0.980 418 H CA 0.183 56.247 56.048 0.026 0.000 1.152 418 H CB 0.494 30.280 29.762 0.040 0.000 1.407 418 H HN 0.216 nan 8.280 nan 0.000 0.564 419 L N 1.038 122.293 121.223 0.053 0.000 2.079 419 L HA -0.201 3.635 4.340 -0.839 0.000 0.210 419 L C 2.459 179.345 176.870 0.027 0.000 1.081 419 L CA 1.587 56.414 54.840 -0.021 0.000 0.752 419 L CB -0.201 41.770 42.059 -0.147 0.000 0.896 419 L HN 0.168 nan 8.230 nan 0.000 0.433 420 Q N -0.963 118.850 119.800 0.021 0.000 2.079 420 Q HA -0.237 3.599 4.340 -0.839 0.000 0.200 420 Q C 2.142 178.176 176.000 0.057 0.000 0.974 420 Q CA 1.849 57.669 55.803 0.028 0.000 0.840 420 Q CB -0.018 28.725 28.738 0.009 0.000 0.898 420 Q HN 0.592 nan 8.270 nan 0.000 0.430 421 E N -0.295 119.952 120.200 0.079 0.000 2.077 421 E HA -0.152 3.694 4.350 -0.839 0.000 0.193 421 E C 2.118 178.780 176.600 0.103 0.000 0.989 421 E CA 1.319 57.774 56.400 0.092 0.000 0.800 421 E CB 0.082 29.858 29.700 0.127 0.000 0.746 421 E HN 0.144 nan 8.360 nan 0.000 0.452 422 S N 0.542 116.331 115.700 0.148 0.000 2.370 422 S HA -0.147 3.820 4.470 -0.839 0.000 0.226 422 S C 1.979 176.692 174.600 0.188 0.000 1.033 422 S CA 0.860 59.178 58.200 0.197 0.000 1.011 422 S CB -0.165 63.269 63.200 0.389 0.000 0.852 422 S HN 0.222 nan 8.310 nan 0.000 0.457 423 I N 1.431 122.099 120.570 0.162 0.000 2.252 423 I HA -0.167 3.499 4.170 -0.839 0.000 0.245 423 I C 2.678 178.842 176.117 0.079 0.000 1.102 423 I CA 1.029 62.403 61.300 0.124 0.000 1.385 423 I CB -0.479 37.574 38.000 0.088 0.000 1.064 423 I HN 0.268 nan 8.210 nan 0.000 0.414 424 A N 0.375 123.234 122.820 0.064 0.000 1.930 424 A HA -0.255 3.561 4.320 -0.839 0.000 0.217 424 A C 2.309 179.917 177.584 0.040 0.000 1.175 424 A CA 1.828 53.892 52.037 0.045 0.000 0.627 424 A CB -0.595 18.428 19.000 0.039 0.000 0.815 424 A HN 0.524 nan 8.150 nan 0.000 0.443 425 E N 0.258 120.485 120.200 0.047 0.000 2.150 425 E HA -0.257 3.589 4.350 -0.839 0.000 0.193 425 E C 2.050 178.663 176.600 0.021 0.000 0.985 425 E CA 1.327 57.746 56.400 0.031 0.000 0.814 425 E CB -0.182 29.536 29.700 0.030 0.000 0.752 425 E HN 0.890 nan 8.360 nan 0.000 0.466 426 Q N -0.091 119.728 119.800 0.031 0.000 2.425 426 Q HA 0.169 4.005 4.340 -0.839 0.000 0.204 426 Q C 0.837 176.850 176.000 0.020 0.000 0.933 426 Q CA 0.446 56.260 55.803 0.018 0.000 0.939 426 Q CB 0.422 29.173 28.738 0.022 0.000 1.044 426 Q HN 0.203 nan 8.270 nan 0.000 0.513 427 G N 1.235 110.051 108.800 0.027 0.000 2.855 427 G HA2 -0.154 3.303 3.960 -0.839 0.000 0.352 427 G HA3 -0.154 3.303 3.960 -0.839 0.000 0.352 427 G C -0.194 174.722 174.900 0.028 0.000 1.415 427 G CA -0.404 44.709 45.100 0.023 0.000 0.871 427 G HN 0.800 nan 8.290 nan 0.000 0.543 428 A N -0.624 122.210 122.820 0.024 0.000 2.466 428 A HA 0.616 4.433 4.320 -0.839 0.000 0.238 428 A C 0.585 178.185 177.584 0.026 0.000 1.074 428 A CA 0.506 52.558 52.037 0.025 0.000 0.774 428 A CB 0.184 19.195 19.000 0.019 0.000 1.015 428 A HN 1.364 nan 8.150 nan 0.000 0.498 429 L N 1.568 122.810 121.223 0.032 0.000 2.346 429 L HA 0.491 4.328 4.340 -0.839 0.000 0.276 429 L C 0.720 177.610 176.870 0.034 0.000 1.006 429 L CA -0.653 54.207 54.840 0.034 0.000 0.817 429 L CB 1.614 43.700 42.059 0.046 0.000 1.272 429 L HN 0.865 nan 8.230 nan 0.000 0.421 430 R N 1.147 121.664 120.500 0.029 0.000 2.643 430 R HA 0.074 3.910 4.340 -0.839 0.000 0.270 430 R C -0.568 175.757 176.300 0.041 0.000 1.061 430 R CA -0.555 55.562 56.100 0.028 0.000 1.107 430 R CB 0.587 30.899 30.300 0.020 0.000 0.999 430 R HN 0.508 nan 8.270 nan 0.000 0.460 431 D N 1.257 121.683 120.400 0.042 0.000 2.423 431 D HA 0.051 4.187 4.640 -0.839 0.000 0.238 431 D C -0.436 175.903 176.300 0.065 0.000 1.142 431 D CA 0.467 54.504 54.000 0.062 0.000 0.884 431 D CB 0.893 41.725 40.800 0.052 0.000 1.199 431 D HN 0.587 nan 8.370 nan 0.000 0.438 432 A N 1.712 124.592 122.820 0.099 0.000 2.409 432 A HA 0.393 4.209 4.320 -0.839 0.000 0.262 432 A C 0.723 178.326 177.584 0.033 0.000 1.113 432 A CA -0.475 51.593 52.037 0.051 0.000 0.790 432 A CB 0.150 19.162 19.000 0.020 0.000 1.046 432 A HN 0.514 nan 8.150 nan 0.000 0.496 433 S N 1.305 117.007 115.700 0.003 0.000 2.634 433 S HA 0.162 4.128 4.470 -0.839 0.000 0.261 433 S C 0.899 175.487 174.600 -0.019 0.000 1.271 433 S CA 0.252 58.452 58.200 -0.000 0.000 0.985 433 S CB 0.745 63.942 63.200 -0.005 0.000 0.968 433 S HN 0.783 nan 8.310 nan 0.000 0.568 434 E N 0.281 120.474 120.200 -0.011 0.000 2.204 434 E HA -0.130 3.716 4.350 -0.839 0.000 0.194 434 E C 1.970 178.548 176.600 -0.036 0.000 0.989 434 E CA 1.224 57.612 56.400 -0.020 0.000 0.824 434 E CB -0.200 29.498 29.700 -0.003 0.000 0.756 434 E HN 0.833 nan 8.360 nan 0.000 0.477 435 S N 0.533 116.215 115.700 -0.030 0.000 2.406 435 S HA -0.111 3.855 4.470 -0.839 0.000 0.228 435 S C 1.483 176.054 174.600 -0.047 0.000 1.020 435 S CA 0.848 59.029 58.200 -0.032 0.000 0.965 435 S CB -0.068 63.119 63.200 -0.022 0.000 0.798 435 S HN 0.174 nan 8.310 nan 0.000 0.488 436 D N 1.683 122.048 120.400 -0.058 0.000 2.144 436 D HA -0.035 4.102 4.640 -0.839 0.000 0.199 436 D C 2.086 178.311 176.300 -0.125 0.000 0.984 436 D CA 0.980 54.934 54.000 -0.077 0.000 0.834 436 D CB -0.312 40.445 40.800 -0.072 0.000 0.955 436 D HN 0.340 nan 8.370 nan 0.000 0.465 437 V N 0.840 120.651 119.914 -0.171 0.000 2.302 437 V HA -0.164 3.453 4.120 -0.839 0.000 0.243 437 V C 2.407 178.425 176.094 -0.126 0.000 1.036 437 V CA 1.199 63.352 62.300 -0.244 0.000 1.020 437 V CB -0.378 31.263 31.823 -0.302 0.000 0.657 437 V HN 0.016 nan 8.190 nan 0.000 0.453 438 E N 1.014 121.168 120.200 -0.077 0.000 2.136 438 E HA -0.290 3.557 4.350 -0.839 0.000 0.202 438 E C 2.135 178.717 176.600 -0.029 0.000 1.019 438 E CA 1.965 58.342 56.400 -0.038 0.000 0.819 438 E CB -0.623 29.061 29.700 -0.027 0.000 0.739 438 E HN 0.540 nan 8.360 nan 0.000 0.458 439 A N -0.463 122.334 122.820 -0.038 0.000 1.940 439 A HA -0.178 3.639 4.320 -0.839 0.000 0.219 439 A C 2.457 180.031 177.584 -0.017 0.000 1.176 439 A CA 1.933 53.954 52.037 -0.027 0.000 0.631 439 A CB -0.676 18.305 19.000 -0.032 0.000 0.814 439 A HN 0.267 nan 8.150 nan 0.000 0.446 440 S N -0.412 115.271 115.700 -0.029 0.000 2.399 440 S HA -0.027 3.939 4.470 -0.839 0.000 0.231 440 S C 1.589 176.203 174.600 0.024 0.000 1.022 440 S CA 1.237 59.432 58.200 -0.008 0.000 0.983 440 S CB -0.344 62.838 63.200 -0.030 0.000 0.803 440 S HN 0.541 nan 8.310 nan 0.000 0.480 441 L N 0.893 122.126 121.223 0.018 0.000 2.492 441 L HA 0.020 3.857 4.340 -0.839 0.000 0.223 441 L C 1.727 178.624 176.870 0.045 0.000 1.132 441 L CA 0.258 55.122 54.840 0.041 0.000 0.850 441 L CB -0.496 41.582 42.059 0.032 0.000 0.966 441 L HN 0.110 nan 8.230 nan 0.000 0.454 442 D N 0.819 121.237 120.400 0.029 0.000 2.116 442 D HA -0.240 3.896 4.640 -0.839 0.000 0.193 442 D C 2.205 178.531 176.300 0.043 0.000 0.998 442 D CA 1.292 55.306 54.000 0.024 0.000 0.836 442 D CB -0.002 40.802 40.800 0.007 0.000 0.951 442 D HN 0.190 nan 8.370 nan 0.000 0.449 443 R N 0.034 120.575 120.500 0.068 0.000 2.083 443 R HA -0.155 3.681 4.340 -0.839 0.000 0.237 443 R C 2.375 178.798 176.300 0.205 0.000 1.137 443 R CA 1.187 57.357 56.100 0.116 0.000 0.951 443 R CB -0.495 29.889 30.300 0.139 0.000 0.851 443 R HN 0.206 nan 8.270 nan 0.000 0.434 444 L N 1.349 122.683 121.223 0.185 0.000 2.056 444 L HA -0.132 3.705 4.340 -0.839 0.000 0.207 444 L C 1.471 178.445 176.870 0.174 0.000 1.078 444 L CA 1.832 56.791 54.840 0.200 0.000 0.749 444 L CB -0.582 41.553 42.059 0.126 0.000 0.901 444 L HN 0.209 nan 8.230 nan 0.000 0.433 445 N N 0.082 118.846 118.700 0.106 0.000 2.205 445 N HA -0.227 4.010 4.740 -0.839 0.000 0.186 445 N C 1.956 177.504 175.510 0.062 0.000 1.015 445 N CA 1.345 54.438 53.050 0.072 0.000 0.862 445 N CB -0.501 38.010 38.487 0.039 0.000 0.986 445 N HN 0.445 nan 8.380 nan 0.000 0.429 446 R N -0.142 120.382 120.500 0.040 0.000 2.091 446 R HA -0.136 3.700 4.340 -0.839 0.000 0.238 446 R C 1.780 178.050 176.300 -0.050 0.000 1.136 446 R CA 1.404 57.472 56.100 -0.054 0.000 0.959 446 R CB -0.243 29.967 30.300 -0.150 0.000 0.856 446 R HN 0.284 nan 8.270 nan 0.000 0.437 447 W N 0.858 122.149 121.300 -0.015 0.000 2.418 447 W HA -0.013 4.143 4.660 -0.840 0.000 0.292 447 W C 1.929 178.435 176.519 -0.021 0.000 1.213 447 W CA 0.271 57.604 57.345 -0.021 0.000 1.283 447 W CB -0.238 29.205 29.460 -0.028 0.000 1.119 447 W HN 0.144 nan 8.180 nan 0.000 0.542 448 N N 0.086 118.913 118.700 0.212 0.000 2.453 448 N HA -0.114 4.122 4.740 -0.839 0.000 0.183 448 N C 0.960 176.513 175.510 0.072 0.000 1.041 448 N CA 0.952 54.071 53.050 0.115 0.000 0.900 448 N CB -0.355 38.180 38.487 0.079 0.000 0.961 448 N HN 0.313 nan 8.380 nan 0.000 0.443 449 N N 0.021 118.754 118.700 0.056 0.000 2.348 449 N HA -0.035 4.202 4.740 -0.839 0.000 0.183 449 N C -0.025 175.490 175.510 0.008 0.000 1.094 449 N CA 0.026 53.089 53.050 0.022 0.000 0.885 449 N CB 0.141 38.630 38.487 0.004 0.000 1.065 449 N HN 0.103 nan 8.380 nan 0.000 0.472 450 N N 2.207 120.910 118.700 0.005 0.000 2.482 450 N HA 0.083 4.320 4.740 -0.839 0.000 0.242 450 N C 0.537 176.058 175.510 0.018 0.000 1.100 450 N CA 0.013 53.050 53.050 -0.022 0.000 0.946 450 N CB 0.474 38.900 38.487 -0.102 0.000 1.227 450 N HN 0.009 nan 8.380 nan 0.000 0.508 451 R N 2.054 122.562 120.500 0.013 0.000 2.237 451 R HA 0.170 4.006 4.340 -0.839 0.000 0.195 451 R C 0.240 176.549 176.300 0.015 0.000 0.956 451 R CA 0.298 56.411 56.100 0.023 0.000 1.029 451 R CB 0.315 30.625 30.300 0.017 0.000 0.972 451 R HN 0.494 nan 8.270 nan 0.000 0.493 452 N N -0.089 118.612 118.700 0.002 0.000 2.184 452 N HA 0.064 4.301 4.740 -0.839 0.000 0.206 452 N C 0.845 176.350 175.510 -0.007 0.000 1.151 452 N CA 0.188 53.237 53.050 -0.001 0.000 0.878 452 N CB 0.942 39.425 38.487 -0.006 0.000 1.014 452 N HN 0.101 nan 8.380 nan 0.000 0.512 453 G N 0.494 109.284 108.800 -0.017 0.000 2.441 453 G HA2 0.042 3.499 3.960 -0.839 0.000 0.258 453 G HA3 0.042 3.499 3.960 -0.839 0.000 0.258 453 G C 0.136 175.029 174.900 -0.012 0.000 1.487 453 G CA -0.268 44.813 45.100 -0.031 0.000 1.058 453 G HN 0.068 nan 8.290 nan 0.000 0.552 454 E N 0.230 120.419 120.200 -0.019 0.000 2.343 454 E HA 0.109 3.955 4.350 -0.839 0.000 0.269 454 E C -0.831 175.791 176.600 0.037 0.000 1.047 454 E CA -0.414 55.989 56.400 0.004 0.000 0.874 454 E CB 1.256 30.953 29.700 -0.005 0.000 1.033 454 E HN 0.370 nan 8.360 nan 0.000 0.409 455 D N 3.023 123.447 120.400 0.040 0.000 2.382 455 D HA -0.003 4.133 4.640 -0.839 0.000 0.259 455 D C -1.586 174.758 176.300 0.074 0.000 1.224 455 D CA -1.673 52.360 54.000 0.056 0.000 0.894 455 D CB 0.873 41.695 40.800 0.037 0.000 1.127 455 D HN 0.079 nan 8.370 nan 0.000 0.487 456 P HA -0.100 nan 4.420 nan 0.000 0.225 456 P C 1.547 178.892 177.300 0.075 0.000 1.156 456 P CA 0.194 63.376 63.100 0.137 0.000 0.787 456 P CB 0.260 32.089 31.700 0.216 0.000 0.802 457 V N 1.086 121.029 119.914 0.049 0.000 2.324 457 V HA -0.279 3.338 4.120 -0.839 0.000 0.250 457 V C 2.694 178.805 176.094 0.029 0.000 1.060 457 V CA 2.479 64.797 62.300 0.030 0.000 1.042 457 V CB -1.716 30.120 31.823 0.022 0.000 0.650 457 V HN 0.148 nan 8.190 nan 0.000 0.450 458 A N -0.576 122.262 122.820 0.030 0.000 1.970 458 A HA -0.026 3.791 4.320 -0.839 0.000 0.216 458 A C 2.161 179.757 177.584 0.021 0.000 1.170 458 A CA 1.254 53.305 52.037 0.023 0.000 0.645 458 A CB -0.428 18.584 19.000 0.021 0.000 0.816 458 A HN 0.499 nan 8.150 nan 0.000 0.447 459 I N -0.662 119.927 120.570 0.032 0.000 2.226 459 I HA -0.265 3.402 4.170 -0.839 0.000 0.245 459 I C 2.710 178.842 176.117 0.025 0.000 1.100 459 I CA 1.737 63.056 61.300 0.032 0.000 1.374 459 I CB -0.314 37.718 38.000 0.053 0.000 1.057 459 I HN 0.409 nan 8.210 nan 0.000 0.413 460 R N 1.659 122.177 120.500 0.029 0.000 2.066 460 R HA -0.173 3.663 4.340 -0.839 0.000 0.232 460 R C 2.262 178.563 176.300 0.001 0.000 1.131 460 R CA 1.510 57.620 56.100 0.017 0.000 0.955 460 R CB -0.076 30.237 30.300 0.022 0.000 0.851 460 R HN 0.250 nan 8.270 nan 0.000 0.432 461 K N 0.078 120.482 120.400 0.006 0.000 2.097 461 K HA -0.106 3.710 4.320 -0.839 0.000 0.206 461 K C 2.131 178.719 176.600 -0.020 0.000 1.049 461 K CA 1.321 57.608 56.287 0.000 0.000 0.933 461 K CB -0.147 32.359 32.500 0.010 0.000 0.717 461 K HN 0.264 nan 8.250 nan 0.000 0.442 462 A N 1.861 124.671 122.820 -0.018 0.000 1.877 462 A HA -0.171 3.645 4.320 -0.839 0.000 0.216 462 A C 2.159 179.714 177.584 -0.049 0.000 1.186 462 A CA 1.199 53.217 52.037 -0.032 0.000 0.620 462 A CB -0.690 18.302 19.000 -0.013 0.000 0.822 462 A HN 0.288 nan 8.150 nan 0.000 0.443 463 L N -0.572 120.628 121.223 -0.039 0.000 1.955 463 L HA -0.309 3.527 4.340 -0.839 0.000 0.213 463 L C 2.835 179.644 176.870 -0.102 0.000 1.072 463 L CA 2.323 57.128 54.840 -0.058 0.000 0.755 463 L CB -0.520 41.512 42.059 -0.045 0.000 0.888 463 L HN 0.504 nan 8.230 nan 0.000 0.432 464 Q N -0.619 119.125 119.800 -0.093 0.000 2.112 464 Q HA -0.315 3.521 4.340 -0.839 0.000 0.206 464 Q C 2.117 178.058 176.000 -0.099 0.000 0.987 464 Q CA 2.197 57.936 55.803 -0.107 0.000 0.858 464 Q CB -0.277 28.436 28.738 -0.042 0.000 0.905 464 Q HN 0.605 nan 8.270 nan 0.000 0.420 465 E N 0.174 120.309 120.200 -0.108 0.000 2.051 465 E HA -0.234 3.613 4.350 -0.839 0.000 0.192 465 E C 2.136 178.549 176.600 -0.311 0.000 0.991 465 E CA 1.265 57.539 56.400 -0.210 0.000 0.799 465 E CB -0.180 29.384 29.700 -0.226 0.000 0.748 465 E HN 0.432 nan 8.360 nan 0.000 0.449 466 C N 0.736 119.921 119.300 -0.193 0.000 2.413 466 C HA -0.149 3.807 4.460 -0.839 0.000 0.276 466 C C 2.668 177.666 174.990 0.013 0.000 1.248 466 C CA 0.954 59.913 59.018 -0.100 0.000 1.742 466 C CB -0.830 26.895 27.740 -0.026 0.000 2.017 466 C HN 0.515 nan 8.230 nan 0.000 0.481 467 M N 0.133 119.698 119.600 -0.058 0.000 2.132 467 M HA -0.087 3.889 4.480 -0.839 0.000 0.263 467 M C 2.118 178.465 176.300 0.078 0.000 1.065 467 M CA 1.618 56.860 55.300 -0.097 0.000 1.122 467 M CB -1.828 30.345 32.600 -0.713 0.000 1.365 467 M HN 0.452 nan 8.290 nan 0.000 0.411 468 Q N -0.029 119.845 119.800 0.122 0.000 2.084 468 Q HA -0.142 3.695 4.340 -0.839 0.000 0.202 468 Q C 1.923 178.142 176.000 0.364 0.000 0.978 468 Q CA 1.889 57.905 55.803 0.354 0.000 0.844 468 Q CB -0.275 28.657 28.738 0.325 0.000 0.898 468 Q HN 0.668 nan 8.270 nan 0.000 0.426 469 H N -1.341 117.783 119.070 0.090 0.000 2.343 469 H HA 0.064 4.118 4.556 -0.837 0.000 0.303 469 H C 1.215 176.535 175.328 -0.013 0.000 1.068 469 H CA 0.890 56.962 56.048 0.041 0.000 1.359 469 H CB 0.321 30.095 29.762 0.021 0.000 1.402 469 H HN 0.283 nan 8.280 nan 0.000 0.515 470 N N 0.070 118.805 118.700 0.058 0.000 2.356 470 N HA -0.009 4.227 4.740 -0.839 0.000 0.178 470 N C -0.056 175.094 175.510 -0.600 0.000 1.075 470 N CA 0.569 53.435 53.050 -0.305 0.000 0.889 470 N CB 0.546 38.748 38.487 -0.475 0.000 0.999 470 N HN 0.220 nan 8.380 nan 0.000 0.464 471 F N -0.154 119.871 119.950 0.125 0.000 2.815 471 F HA 0.352 4.375 4.527 -0.840 0.000 0.335 471 F C 1.146 177.124 175.800 0.296 0.000 1.179 471 F CA -0.515 57.589 58.000 0.173 0.000 1.204 471 F CB 0.184 39.251 39.000 0.111 0.000 1.050 471 F HN -0.239 nan 8.300 nan 0.000 0.510 472 S N -0.178 115.676 115.700 0.257 0.000 2.423 472 S HA 0.138 4.104 4.470 -0.839 0.000 0.244 472 S C 1.888 176.215 174.600 -0.455 0.000 1.267 472 S CA 0.052 58.205 58.200 -0.078 0.000 0.988 472 S CB 0.345 63.481 63.200 -0.107 0.000 0.978 472 S HN -0.003 nan 8.310 nan 0.000 0.506 473 V N 0.427 119.809 119.914 -0.887 0.000 2.252 473 V HA -0.083 3.533 4.120 -0.839 0.000 0.249 473 V C 0.725 176.427 176.094 -0.654 0.000 1.056 473 V CA 1.575 63.382 62.300 -0.822 0.000 1.022 473 V CB -0.881 30.454 31.823 -0.814 0.000 0.641 473 V HN 0.549 nan 8.190 nan 0.000 0.445 474 F N -0.349 119.448 119.950 -0.254 0.000 2.422 474 F HA 0.719 4.719 4.527 -0.877 0.000 0.333 474 F C 0.415 176.067 175.800 -0.247 0.000 1.095 474 F CA -0.745 57.056 58.000 -0.331 0.000 1.038 474 F CB 1.179 40.005 39.000 -0.290 0.000 1.156 474 F HN -0.095 nan 8.300 nan 0.000 0.483 475 R N 1.173 121.593 120.500 -0.133 0.000 2.698 475 R HA 0.502 4.338 4.340 -0.839 0.000 0.275 475 R C -1.322 174.959 176.300 -0.032 0.000 1.001 475 R CA -1.107 54.952 56.100 -0.067 0.000 0.896 475 R CB 2.832 33.107 30.300 -0.041 0.000 1.218 475 R HN 0.748 nan 8.270 nan 0.000 0.462 476 E N 0.397 120.624 120.200 0.045 0.000 2.343 476 E HA 0.330 4.176 4.350 -0.839 0.000 0.270 476 E C 0.059 176.699 176.600 0.066 0.000 0.895 476 E CA -1.041 55.425 56.400 0.109 0.000 0.767 476 E CB 1.951 31.760 29.700 0.183 0.000 1.248 476 E HN 0.579 nan 8.360 nan 0.000 0.440 477 G N 2.265 111.132 108.800 0.112 0.000 2.469 477 G HA2 -0.305 3.152 3.960 -0.839 0.000 0.220 477 G HA3 -0.305 3.152 3.960 -0.839 0.000 0.220 477 G C 0.765 175.707 174.900 0.071 0.000 1.136 477 G CA 1.247 46.416 45.100 0.115 0.000 0.759 477 G HN 0.577 nan 8.290 nan 0.000 0.562 478 D N 1.016 121.450 120.400 0.056 0.000 2.088 478 D HA -0.057 4.080 4.640 -0.839 0.000 0.191 478 D C 2.864 179.169 176.300 0.008 0.000 0.992 478 D CA 1.578 55.599 54.000 0.034 0.000 0.831 478 D CB -0.709 40.108 40.800 0.028 0.000 0.973 478 D HN 0.286 nan 8.370 nan 0.000 0.447 479 A N 0.427 123.237 122.820 -0.017 0.000 1.972 479 A HA -0.147 3.670 4.320 -0.839 0.000 0.219 479 A C 2.258 179.752 177.584 -0.150 0.000 1.169 479 A CA 1.321 53.319 52.037 -0.066 0.000 0.635 479 A CB -0.514 18.443 19.000 -0.072 0.000 0.810 479 A HN 0.179 nan 8.150 nan 0.000 0.446 480 M N -0.873 118.627 119.600 -0.167 0.000 2.200 480 M HA -0.084 3.893 4.480 -0.839 0.000 0.265 480 M C 2.530 178.847 176.300 0.028 0.000 1.066 480 M CA 1.251 56.420 55.300 -0.219 0.000 1.127 480 M CB -0.417 32.141 32.600 -0.070 0.000 1.379 480 M HN 0.491 nan 8.290 nan 0.000 0.420 481 A N 0.601 123.448 122.820 0.045 0.000 1.898 481 A HA -0.149 3.668 4.320 -0.839 0.000 0.216 481 A C 2.105 179.728 177.584 0.065 0.000 1.181 481 A CA 1.620 53.702 52.037 0.074 0.000 0.620 481 A CB -0.390 18.652 19.000 0.069 0.000 0.819 481 A HN 0.346 nan 8.150 nan 0.000 0.442 482 K N -0.556 119.867 120.400 0.038 0.000 2.097 482 K HA -0.021 3.796 4.320 -0.839 0.000 0.205 482 K C 2.076 178.708 176.600 0.053 0.000 1.050 482 K CA 1.040 57.350 56.287 0.038 0.000 0.938 482 K CB -0.435 32.078 32.500 0.022 0.000 0.718 482 K HN 0.446 nan 8.250 nan 0.000 0.442 483 G N 1.278 110.104 108.800 0.042 0.000 2.446 483 G HA2 -0.260 3.196 3.960 -0.839 0.000 0.217 483 G HA3 -0.260 3.196 3.960 -0.839 0.000 0.217 483 G C 1.380 176.404 174.900 0.207 0.000 1.168 483 G CA 0.730 45.902 45.100 0.120 0.000 0.771 483 G HN 0.194 nan 8.290 nan 0.000 0.551 484 L N 0.614 121.970 121.223 0.222 0.000 2.079 484 L HA -0.015 3.821 4.340 -0.839 0.000 0.210 484 L C 2.552 179.480 176.870 0.097 0.000 1.081 484 L CA 1.907 56.822 54.840 0.124 0.000 0.752 484 L CB -0.463 41.650 42.059 0.090 0.000 0.896 484 L HN 0.094 nan 8.230 nan 0.000 0.433 485 E N -0.252 120.004 120.200 0.093 0.000 2.077 485 E HA -0.246 3.600 4.350 -0.839 0.000 0.193 485 E C 2.227 178.876 176.600 0.081 0.000 0.989 485 E CA 1.428 57.878 56.400 0.084 0.000 0.800 485 E CB -0.293 29.447 29.700 0.066 0.000 0.746 485 E HN 0.662 nan 8.360 nan 0.000 0.452 486 Q N -0.011 119.834 119.800 0.076 0.000 2.119 486 Q HA -0.026 3.811 4.340 -0.839 0.000 0.201 486 Q C 2.412 178.455 176.000 0.072 0.000 0.972 486 Q CA 0.765 56.605 55.803 0.062 0.000 0.847 486 Q CB -0.065 28.703 28.738 0.050 0.000 0.903 486 Q HN 0.235 nan 8.270 nan 0.000 0.433 487 L N 0.496 121.777 121.223 0.097 0.000 2.083 487 L HA -0.207 3.630 4.340 -0.839 0.000 0.209 487 L C 2.183 179.149 176.870 0.160 0.000 1.083 487 L CA 1.186 56.097 54.840 0.119 0.000 0.752 487 L CB -0.286 41.848 42.059 0.124 0.000 0.899 487 L HN 0.175 nan 8.230 nan 0.000 0.433 488 K N -0.516 119.994 120.400 0.184 0.000 2.152 488 K HA -0.148 3.669 4.320 -0.839 0.000 0.206 488 K C 1.991 178.636 176.600 0.076 0.000 1.048 488 K CA 1.119 57.503 56.287 0.162 0.000 0.933 488 K CB -0.131 32.468 32.500 0.165 0.000 0.721 488 K HN 0.151 nan 8.250 nan 0.000 0.447 489 V N 1.587 121.539 119.914 0.064 0.000 2.307 489 V HA -0.219 3.397 4.120 -0.839 0.000 0.245 489 V C 2.125 178.233 176.094 0.024 0.000 1.045 489 V CA 1.596 63.918 62.300 0.036 0.000 1.024 489 V CB -0.335 31.509 31.823 0.034 0.000 0.651 489 V HN 0.248 nan 8.190 nan 0.000 0.449 490 I N -0.276 120.312 120.570 0.031 0.000 2.394 490 I HA -0.199 3.467 4.170 -0.839 0.000 0.251 490 I C 2.683 178.806 176.117 0.010 0.000 1.136 490 I CA 1.425 62.736 61.300 0.019 0.000 1.425 490 I CB -0.455 37.558 38.000 0.021 0.000 1.079 490 I HN 0.192 nan 8.210 nan 0.000 0.425 491 R N 0.894 121.400 120.500 0.011 0.000 2.148 491 R HA -0.142 3.695 4.340 -0.839 0.000 0.223 491 R C 2.001 178.276 176.300 -0.042 0.000 1.088 491 R CA 1.087 57.173 56.100 -0.023 0.000 0.985 491 R CB 0.078 30.343 30.300 -0.057 0.000 0.880 491 R HN 0.260 nan 8.270 nan 0.000 0.451 492 E N 0.813 120.996 120.200 -0.028 0.000 2.047 492 E HA -0.147 3.700 4.350 -0.839 0.000 0.191 492 E C 2.049 178.622 176.600 -0.045 0.000 0.987 492 E CA 1.099 57.477 56.400 -0.037 0.000 0.799 492 E CB -0.146 29.543 29.700 -0.019 0.000 0.752 492 E HN 0.344 nan 8.360 nan 0.000 0.449 493 R N 0.281 120.763 120.500 -0.031 0.000 2.105 493 R HA -0.127 3.709 4.340 -0.839 0.000 0.239 493 R C 2.368 178.634 176.300 -0.057 0.000 1.135 493 R CA 0.945 57.025 56.100 -0.034 0.000 0.967 493 R CB -0.351 29.942 30.300 -0.012 0.000 0.861 493 R HN 0.084 nan 8.270 nan 0.000 0.442 494 L N 1.295 122.485 121.223 -0.055 0.000 2.156 494 L HA -0.054 3.783 4.340 -0.839 0.000 0.208 494 L C 1.529 178.288 176.870 -0.185 0.000 1.095 494 L CA 1.710 56.506 54.840 -0.074 0.000 0.770 494 L CB -0.104 41.951 42.059 -0.007 0.000 0.914 494 L HN -0.095 nan 8.230 nan 0.000 0.439 495 K N -0.464 119.843 120.400 -0.155 0.000 2.360 495 K HA -0.135 3.682 4.320 -0.839 0.000 0.201 495 K C 0.788 177.244 176.600 -0.239 0.000 1.046 495 K CA 1.156 57.327 56.287 -0.194 0.000 0.945 495 K CB -0.132 32.290 32.500 -0.129 0.000 0.750 495 K HN 0.302 nan 8.250 nan 0.000 0.464 496 N N -0.091 118.484 118.700 -0.207 0.000 2.351 496 N HA 0.135 4.372 4.740 -0.839 0.000 0.254 496 N C -1.334 174.059 175.510 -0.195 0.000 1.241 496 N CA -0.259 52.681 53.050 -0.183 0.000 0.883 496 N CB 0.722 39.144 38.487 -0.109 0.000 1.202 496 N HN 0.042 nan 8.380 nan 0.000 0.512 497 A N 0.720 123.350 122.820 -0.316 0.000 2.304 497 A HA 0.623 4.439 4.320 -0.839 0.000 0.301 497 A C 0.113 177.565 177.584 -0.221 0.000 1.132 497 A CA -0.712 51.192 52.037 -0.222 0.000 0.819 497 A CB 0.486 19.393 19.000 -0.155 0.000 1.094 497 A HN 0.526 nan 8.150 nan 0.000 0.492 498 R N 1.306 121.829 120.500 0.037 0.000 2.368 498 R HA 0.618 4.455 4.340 -0.839 0.000 0.302 498 R C -1.114 175.378 176.300 0.320 0.000 1.002 498 R CA -0.677 55.493 56.100 0.117 0.000 0.929 498 R CB 0.856 31.197 30.300 0.067 0.000 1.073 498 R HN 0.467 nan 8.270 nan 0.000 0.464 499 L N 3.263 124.695 121.223 0.348 0.000 2.261 499 L HA 0.238 4.075 4.340 -0.839 0.000 0.289 499 L C -0.086 176.855 176.870 0.118 0.000 1.059 499 L CA 0.198 55.200 54.840 0.269 0.000 0.816 499 L CB 1.123 43.350 42.059 0.279 0.000 1.191 499 L HN 0.738 nan 8.230 nan 0.000 0.431 500 D N 1.503 121.945 120.400 0.070 0.000 2.289 500 D HA -0.021 4.115 4.640 -0.839 0.000 0.207 500 D C -0.226 176.085 176.300 0.017 0.000 0.966 500 D CA 0.747 54.770 54.000 0.039 0.000 0.868 500 D CB 0.310 41.128 40.800 0.030 0.000 0.943 500 D HN 0.609 nan 8.370 nan 0.000 0.514 501 D N -0.725 119.676 120.400 0.001 0.000 2.233 501 D HA 0.096 4.233 4.640 -0.839 0.000 0.240 501 D C 0.479 176.774 176.300 -0.009 0.000 1.074 501 D CA -0.040 53.955 54.000 -0.009 0.000 0.838 501 D CB 1.733 42.518 40.800 -0.026 0.000 1.124 501 D HN -0.226 nan 8.370 nan 0.000 0.475 502 T N 1.176 115.729 114.554 -0.001 0.000 3.022 502 T HA 0.081 3.927 4.350 -0.839 0.000 0.250 502 T C 0.697 175.393 174.700 -0.006 0.000 1.060 502 T CA 0.258 62.359 62.100 0.002 0.000 1.013 502 T CB -0.059 68.815 68.868 0.011 0.000 0.982 502 T HN 0.482 nan 8.240 nan 0.000 0.508 503 S N 0.904 116.599 115.700 -0.010 0.000 2.587 503 S HA 0.190 4.157 4.470 -0.839 0.000 0.260 503 S C 1.391 175.978 174.600 -0.021 0.000 1.353 503 S CA 0.099 58.293 58.200 -0.009 0.000 0.995 503 S CB 1.076 64.275 63.200 -0.002 0.000 0.912 503 S HN 0.422 nan 8.310 nan 0.000 0.568 504 S N -1.190 114.501 115.700 -0.015 0.000 2.539 504 S HA 0.195 4.162 4.470 -0.839 0.000 0.226 504 S C 0.322 174.909 174.600 -0.022 0.000 1.054 504 S CA -0.136 58.046 58.200 -0.029 0.000 0.910 504 S CB -0.523 62.664 63.200 -0.022 0.000 0.818 504 S HN 0.743 nan 8.310 nan 0.000 0.490 505 E N 1.760 121.968 120.200 0.012 0.000 1.858 505 E HA 0.341 4.187 4.350 -0.839 0.000 0.267 505 E C -0.863 175.817 176.600 0.135 0.000 1.215 505 E CA -0.465 55.969 56.400 0.056 0.000 0.952 505 E CB -1.167 28.564 29.700 0.052 0.000 1.058 505 E HN 0.301 nan 8.360 nan 0.000 0.407 506 F N 3.246 123.158 119.950 -0.063 0.000 2.807 506 F HA -0.273 3.750 4.527 -0.840 0.000 0.297 506 F C -0.475 175.284 175.800 -0.069 0.000 1.024 506 F CA 0.288 58.249 58.000 -0.065 0.000 1.008 506 F CB -0.454 38.516 39.000 -0.049 0.000 1.142 506 F HN 0.458 nan 8.300 nan 0.000 0.829 507 N N 1.731 120.366 118.700 -0.107 0.000 2.602 507 N HA 0.149 4.386 4.740 -0.839 0.000 0.238 507 N C 1.226 176.632 175.510 -0.173 0.000 1.084 507 N CA 0.498 53.492 53.050 -0.093 0.000 0.952 507 N CB 0.829 39.254 38.487 -0.103 0.000 1.244 507 N HN 0.433 nan 8.380 nan 0.000 0.512 508 T N 0.314 114.804 114.554 -0.106 0.000 3.007 508 T HA -0.160 3.687 4.350 -0.839 0.000 0.270 508 T C 1.432 176.027 174.700 -0.176 0.000 1.107 508 T CA 0.866 62.878 62.100 -0.147 0.000 1.118 508 T CB 0.122 68.970 68.868 -0.034 0.000 0.889 508 T HN 0.363 nan 8.240 nan 0.000 0.506 509 Q N 1.613 121.323 119.800 -0.150 0.000 2.123 509 Q HA 0.075 3.911 4.340 -0.839 0.000 0.199 509 Q C 2.432 178.272 176.000 -0.267 0.000 0.966 509 Q CA 1.272 56.973 55.803 -0.169 0.000 0.845 509 Q CB -0.351 28.321 28.738 -0.111 0.000 0.907 509 Q HN 0.611 nan 8.270 nan 0.000 0.439 510 R N -0.764 119.572 120.500 -0.274 0.000 2.073 510 R HA -0.109 3.727 4.340 -0.839 0.000 0.234 510 R C 1.957 177.953 176.300 -0.507 0.000 1.134 510 R CA 1.585 57.467 56.100 -0.363 0.000 0.952 510 R CB -0.275 29.866 30.300 -0.265 0.000 0.850 510 R HN 0.244 nan 8.270 nan 0.000 0.433 511 V N 1.434 121.054 119.914 -0.491 0.000 2.255 511 V HA -0.238 3.378 4.120 -0.839 0.000 0.247 511 V C 2.004 177.754 176.094 -0.573 0.000 1.051 511 V CA 2.144 64.041 62.300 -0.673 0.000 1.018 511 V CB -0.493 31.000 31.823 -0.550 0.000 0.641 511 V HN 0.438 nan 8.190 nan 0.000 0.445 512 E N -1.114 118.850 120.200 -0.393 0.000 2.268 512 E HA -0.186 3.661 4.350 -0.839 0.000 0.195 512 E C 2.190 178.582 176.600 -0.348 0.000 0.995 512 E CA 1.345 57.573 56.400 -0.286 0.000 0.836 512 E CB -0.230 29.353 29.700 -0.196 0.000 0.763 512 E HN 0.625 nan 8.360 nan 0.000 0.491 513 C N 0.292 119.253 119.300 -0.565 0.000 2.489 513 C HA -0.040 3.916 4.460 -0.839 0.000 0.279 513 C C 2.519 177.020 174.990 -0.815 0.000 1.266 513 C CA 0.258 58.713 59.018 -0.938 0.000 1.707 513 C CB -0.777 25.946 27.740 -1.695 0.000 2.059 513 C HN 0.393 nan 8.230 nan 0.000 0.481 514 L N 0.772 121.552 121.223 -0.737 0.000 2.131 514 L HA -0.177 3.659 4.340 -0.839 0.000 0.210 514 L C 2.536 179.356 176.870 -0.083 0.000 1.092 514 L CA 1.518 56.140 54.840 -0.363 0.000 0.759 514 L CB -0.708 41.144 42.059 -0.344 0.000 0.903 514 L HN 0.458 nan 8.230 nan 0.000 0.435 515 E N -0.103 120.016 120.200 -0.136 0.000 2.077 515 E HA -0.263 3.583 4.350 -0.839 0.000 0.193 515 E C 2.128 178.747 176.600 0.031 0.000 0.989 515 E CA 1.063 57.480 56.400 0.028 0.000 0.800 515 E CB -0.203 29.494 29.700 -0.004 0.000 0.746 515 E HN 0.237 nan 8.360 nan 0.000 0.452 516 L N 1.848 123.063 121.223 -0.014 0.000 2.081 516 L HA -0.233 3.603 4.340 -0.839 0.000 0.212 516 L C 1.520 178.458 176.870 0.113 0.000 1.080 516 L CA 1.885 56.757 54.840 0.052 0.000 0.754 516 L CB -0.432 41.672 42.059 0.075 0.000 0.893 516 L HN 0.028 nan 8.230 nan 0.000 0.433 517 D N -0.541 119.962 120.400 0.172 0.000 2.123 517 D HA -0.177 3.960 4.640 -0.839 0.000 0.196 517 D C 1.845 178.210 176.300 0.110 0.000 0.992 517 D CA 1.255 55.362 54.000 0.179 0.000 0.833 517 D CB -0.196 40.750 40.800 0.244 0.000 0.954 517 D HN 0.447 nan 8.370 nan 0.000 0.455 518 N N 0.286 119.047 118.700 0.102 0.000 2.250 518 N HA -0.026 4.211 4.740 -0.839 0.000 0.181 518 N C 2.160 177.704 175.510 0.056 0.000 1.017 518 N CA 0.171 53.268 53.050 0.078 0.000 0.866 518 N CB -0.310 38.229 38.487 0.087 0.000 0.985 518 N HN 0.237 nan 8.380 nan 0.000 0.429 519 L N 0.276 121.528 121.223 0.048 0.000 2.043 519 L HA -0.193 3.643 4.340 -0.839 0.000 0.212 519 L C 2.409 179.282 176.870 0.006 0.000 1.075 519 L CA 1.102 55.953 54.840 0.018 0.000 0.752 519 L CB -0.330 41.734 42.059 0.009 0.000 0.891 519 L HN 0.136 nan 8.230 nan 0.000 0.432 520 M N -0.142 119.474 119.600 0.026 0.000 2.059 520 M HA -0.196 3.780 4.480 -0.839 0.000 0.259 520 M C 2.223 178.539 176.300 0.027 0.000 1.072 520 M CA 1.812 57.124 55.300 0.021 0.000 1.117 520 M CB -0.404 32.212 32.600 0.028 0.000 1.320 520 M HN 0.071 nan 8.290 nan 0.000 0.408 521 E N -0.716 119.502 120.200 0.029 0.000 2.118 521 E HA -0.154 3.693 4.350 -0.839 0.000 0.195 521 E C 2.022 178.641 176.600 0.032 0.000 0.992 521 E CA 1.962 58.385 56.400 0.037 0.000 0.804 521 E CB -0.895 28.834 29.700 0.049 0.000 0.741 521 E HN 0.584 nan 8.360 nan 0.000 0.458 522 T N 1.411 115.981 114.554 0.027 0.000 2.737 522 T HA -0.080 3.766 4.350 -0.839 0.000 0.265 522 T C 2.042 176.727 174.700 -0.024 0.000 1.038 522 T CA 1.529 63.648 62.100 0.031 0.000 1.144 522 T CB -0.246 68.667 68.868 0.075 0.000 0.866 522 T HN 0.289 nan 8.240 nan 0.000 0.434 523 A N 0.426 123.200 122.820 -0.076 0.000 1.902 523 A HA -0.083 3.734 4.320 -0.839 0.000 0.217 523 A C 2.104 179.560 177.584 -0.213 0.000 1.181 523 A CA 1.430 53.350 52.037 -0.196 0.000 0.623 523 A CB -1.055 17.828 19.000 -0.195 0.000 0.818 523 A HN 0.549 nan 8.150 nan 0.000 0.443 524 Y N 0.494 120.655 120.300 -0.232 0.000 2.097 524 Y HA -0.149 3.898 4.550 -0.838 0.000 0.282 524 Y C 2.775 178.433 175.900 -0.405 0.000 1.152 524 Y CA 1.620 59.566 58.100 -0.256 0.000 1.136 524 Y CB -0.552 37.807 38.460 -0.169 0.000 0.975 524 Y HN 0.317 nan 8.280 nan 0.000 0.498 525 A N -0.866 121.745 122.820 -0.348 0.000 1.908 525 A HA -0.238 3.579 4.320 -0.839 0.000 0.218 525 A C 2.223 179.558 177.584 -0.414 0.000 1.181 525 A CA 2.432 54.051 52.037 -0.696 0.000 0.627 525 A CB -1.397 17.310 19.000 -0.488 0.000 0.818 525 A HN 0.531 nan 8.150 nan 0.000 0.445 526 T N 0.182 114.591 114.554 -0.242 0.000 2.684 526 T HA -0.052 3.795 4.350 -0.839 0.000 0.267 526 T C 2.207 176.676 174.700 -0.385 0.000 1.036 526 T CA 1.761 63.765 62.100 -0.161 0.000 1.148 526 T CB -0.440 68.399 68.868 -0.049 0.000 0.863 526 T HN 0.623 nan 8.240 nan 0.000 0.436 527 A N 0.827 123.260 122.820 -0.644 0.000 1.872 527 A HA 0.006 3.823 4.320 -0.839 0.000 0.214 527 A C 2.574 179.953 177.584 -0.341 0.000 1.187 527 A CA 1.134 52.683 52.037 -0.813 0.000 0.614 527 A CB -0.919 17.597 19.000 -0.808 0.000 0.826 527 A HN 0.346 nan 8.150 nan 0.000 0.442 528 V N 0.030 119.692 119.914 -0.419 0.000 2.490 528 V HA -0.210 3.406 4.120 -0.839 0.000 0.250 528 V C 2.749 178.809 176.094 -0.057 0.000 1.061 528 V CA 2.246 64.403 62.300 -0.238 0.000 1.064 528 V CB -0.723 30.931 31.823 -0.282 0.000 0.670 528 V HN 0.545 nan 8.190 nan 0.000 0.461 529 S N 0.299 115.943 115.700 -0.093 0.000 2.338 529 S HA -0.100 3.866 4.470 -0.839 0.000 0.218 529 S C 2.259 176.883 174.600 0.040 0.000 1.032 529 S CA 1.334 59.544 58.200 0.016 0.000 0.999 529 S CB -0.520 62.668 63.200 -0.020 0.000 0.905 529 S HN 0.634 nan 8.310 nan 0.000 0.439 530 A N 2.366 125.195 122.820 0.016 0.000 2.024 530 A HA -0.153 3.664 4.320 -0.839 0.000 0.220 530 A C 1.914 179.611 177.584 0.189 0.000 1.164 530 A CA 1.353 53.445 52.037 0.092 0.000 0.643 530 A CB -0.667 18.551 19.000 0.363 0.000 0.806 530 A HN 0.479 nan 8.150 nan 0.000 0.451 531 N N -1.305 117.513 118.700 0.196 0.000 2.142 531 N HA -0.138 4.099 4.740 -0.839 0.000 0.186 531 N C 1.566 177.147 175.510 0.118 0.000 1.023 531 N CA 1.576 54.727 53.050 0.168 0.000 0.852 531 N CB -0.332 38.255 38.487 0.168 0.000 0.998 531 N HN 0.541 nan 8.380 nan 0.000 0.424 532 F N 2.055 121.991 119.950 -0.023 0.000 2.134 532 F HA -0.029 3.994 4.527 -0.839 0.000 0.299 532 F C 1.260 176.918 175.800 -0.236 0.000 1.097 532 F CA 0.870 58.857 58.000 -0.021 0.000 1.264 532 F CB -0.109 38.927 39.000 0.060 0.000 1.001 532 F HN -0.203 nan 8.300 nan 0.000 0.479 533 R N 1.299 121.526 120.500 -0.455 0.000 2.309 533 R HA 0.101 3.937 4.340 -0.839 0.000 0.331 533 R C -0.394 175.322 176.300 -0.973 0.000 1.116 533 R CA 0.449 55.871 56.100 -1.130 0.000 0.970 533 R CB -0.241 29.621 30.300 -0.729 0.000 1.024 533 R HN 0.243 nan 8.270 nan 0.000 0.472 534 T N 1.600 115.291 114.554 -1.438 0.000 3.783 534 T HA 0.206 4.053 4.350 -0.839 0.000 0.262 534 T C -0.250 173.854 174.700 -0.994 0.000 1.381 534 T CA -0.590 60.728 62.100 -1.303 0.000 1.155 534 T CB -0.360 67.571 68.868 -1.562 0.000 1.256 534 T HN 0.762 nan 8.240 nan 0.000 0.807 535 E N -0.663 119.161 120.200 -0.626 0.000 2.449 535 E HA 0.610 4.457 4.350 -0.839 0.000 0.278 535 E C -1.527 175.005 176.600 -0.112 0.000 1.059 535 E CA -1.258 55.018 56.400 -0.207 0.000 0.854 535 E CB 0.649 30.257 29.700 -0.153 0.000 1.465 535 E HN -0.003 nan 8.360 nan 0.000 0.462 536 S N 0.086 115.774 115.700 -0.021 0.000 2.669 536 S HA 0.485 4.452 4.470 -0.839 0.000 0.315 536 S C -0.937 173.691 174.600 0.046 0.000 1.106 536 S CA -0.684 57.489 58.200 -0.044 0.000 1.107 536 S CB 0.566 63.745 63.200 -0.035 0.000 0.990 536 S HN 0.406 nan 8.310 nan 0.000 0.471 537 R N 2.016 122.572 120.500 0.094 0.000 2.513 537 R HA 0.582 4.418 4.340 -0.839 0.000 0.301 537 R C 0.884 177.264 176.300 0.133 0.000 0.968 537 R CA 0.341 56.515 56.100 0.124 0.000 0.872 537 R CB 1.056 31.440 30.300 0.139 0.000 1.177 537 R HN 0.848 nan 8.270 nan 0.000 0.444 538 G N 2.559 111.428 108.800 0.116 0.000 2.596 538 G HA2 -0.472 2.984 3.960 -0.839 0.000 0.304 538 G HA3 -0.472 2.984 3.960 -0.839 0.000 0.304 538 G C 0.784 175.745 174.900 0.100 0.000 1.189 538 G CA 0.592 45.759 45.100 0.111 0.000 0.986 538 G HN 0.769 nan 8.290 nan 0.000 0.548 539 A N -0.652 122.246 122.820 0.129 0.000 1.969 539 A HA 0.208 4.025 4.320 -0.839 0.000 0.218 539 A C 1.345 179.021 177.584 0.154 0.000 1.169 539 A CA 2.019 54.143 52.037 0.145 0.000 0.635 539 A CB -0.444 18.688 19.000 0.219 0.000 0.810 539 A HN 1.486 nan 8.150 nan 0.000 0.445 540 H N 0.553 119.663 119.070 0.066 0.000 3.017 540 H HA 0.473 4.526 4.556 -0.837 0.000 0.276 540 H C -0.672 174.648 175.328 -0.014 0.000 1.062 540 H CA 0.192 56.266 56.048 0.043 0.000 1.486 540 H CB 0.133 29.919 29.762 0.041 0.000 1.507 540 H HN 0.061 nan 8.280 nan 0.000 0.508 541 S N 5.977 121.477 115.700 -0.333 0.000 2.664 541 S HA 0.406 4.372 4.470 -0.839 0.000 0.262 541 S C -0.560 173.808 174.600 -0.387 0.000 1.229 541 S CA -0.817 57.191 58.200 -0.320 0.000 1.151 541 S CB -0.044 62.996 63.200 -0.266 0.000 1.054 541 S HN 0.701 nan 8.310 nan 0.000 0.483 542 R N 2.463 122.737 120.500 -0.376 0.000 2.428 542 R HA 0.397 4.234 4.340 -0.839 0.000 0.294 542 R C 0.112 176.309 176.300 -0.172 0.000 1.000 542 R CA -0.486 55.464 56.100 -0.250 0.000 0.960 542 R CB 0.568 30.806 30.300 -0.103 0.000 1.076 542 R HN 0.501 nan 8.270 nan 0.000 0.475 543 F N 1.150 121.124 119.950 0.040 0.000 2.187 543 F HA -0.129 3.885 4.527 -0.854 0.000 0.295 543 F C 2.132 177.917 175.800 -0.025 0.000 1.091 543 F CA 1.134 59.134 58.000 -0.001 0.000 1.308 543 F CB -0.162 38.812 39.000 -0.043 0.000 1.030 543 F HN 0.590 nan 8.300 nan 0.000 0.487 544 D N -1.026 119.472 120.400 0.163 0.000 2.363 544 D HA -0.156 3.980 4.640 -0.839 0.000 0.220 544 D C 0.057 176.175 176.300 -0.303 0.000 0.994 544 D CA 0.716 54.693 54.000 -0.037 0.000 0.890 544 D CB -0.598 40.202 40.800 0.001 0.000 0.906 544 D HN 0.274 nan 8.370 nan 0.000 0.530 545 F N 0.178 120.133 119.950 0.008 0.000 2.708 545 F HA 0.269 4.292 4.527 -0.841 0.000 0.344 545 F C -1.906 173.881 175.800 -0.022 0.000 1.447 545 F CA -1.663 56.332 58.000 -0.008 0.000 1.140 545 F CB 2.011 40.985 39.000 -0.043 0.000 1.657 545 F HN -0.211 nan 8.300 nan 0.000 0.598 546 P HA -0.017 nan 4.420 nan 0.000 0.236 546 P C -0.225 177.127 177.300 0.088 0.000 1.177 546 P CA 0.773 63.926 63.100 0.089 0.000 0.773 546 P CB 0.393 32.155 31.700 0.104 0.000 0.878 547 D N 0.800 121.263 120.400 0.106 0.000 2.255 547 D HA 0.138 4.274 4.640 -0.839 0.000 0.249 547 D C 0.325 176.691 176.300 0.110 0.000 1.078 547 D CA -0.299 53.763 54.000 0.102 0.000 0.896 547 D CB 1.093 41.954 40.800 0.102 0.000 1.194 547 D HN -0.081 nan 8.370 nan 0.000 0.429 548 R N 1.538 122.098 120.500 0.100 0.000 2.370 548 R HA 0.004 3.841 4.340 -0.839 0.000 0.309 548 R C -0.521 175.857 176.300 0.130 0.000 1.059 548 R CA -0.142 56.024 56.100 0.111 0.000 0.981 548 R CB 0.333 30.695 30.300 0.104 0.000 0.972 548 R HN 0.226 nan 8.270 nan 0.000 0.437 549 D N 3.416 123.924 120.400 0.180 0.000 2.505 549 D HA 0.082 4.218 4.640 -0.839 0.000 0.242 549 D C -0.303 176.113 176.300 0.193 0.000 1.136 549 D CA -0.388 53.742 54.000 0.216 0.000 0.954 549 D CB 0.856 41.866 40.800 0.349 0.000 1.002 549 D HN 0.448 nan 8.370 nan 0.000 0.512 550 D N 1.462 121.928 120.400 0.111 0.000 2.348 550 D HA -0.057 4.080 4.640 -0.839 0.000 0.216 550 D C 1.336 177.657 176.300 0.034 0.000 0.970 550 D CA 0.581 54.623 54.000 0.070 0.000 0.889 550 D CB 0.439 41.255 40.800 0.026 0.000 0.912 550 D HN 0.559 nan 8.370 nan 0.000 0.524 551 E N -0.412 119.806 120.200 0.030 0.000 2.318 551 E HA 0.045 3.892 4.350 -0.839 0.000 0.193 551 E C 1.044 177.596 176.600 -0.079 0.000 0.998 551 E CA 0.344 56.736 56.400 -0.013 0.000 0.859 551 E CB 0.355 30.055 29.700 0.000 0.000 0.812 551 E HN 0.242 nan 8.360 nan 0.000 0.492 552 N N -1.523 117.105 118.700 -0.119 0.000 2.297 552 N HA 0.028 4.264 4.740 -0.839 0.000 0.208 552 N C 0.194 175.285 175.510 -0.700 0.000 1.176 552 N CA 0.177 52.976 53.050 -0.419 0.000 0.882 552 N CB 0.454 38.650 38.487 -0.485 0.000 1.134 552 N HN 0.124 nan 8.380 nan 0.000 0.489 553 W N 0.998 122.285 121.300 -0.022 0.000 2.407 553 W HA 0.400 4.559 4.660 -0.836 0.000 0.370 553 W C 0.006 176.520 176.519 -0.008 0.000 0.928 553 W CA -0.407 56.924 57.345 -0.023 0.000 2.005 553 W CB 0.280 29.722 29.460 -0.031 0.000 1.171 553 W HN -0.153 nan 8.180 nan 0.000 0.572 554 L N 3.383 124.666 121.223 0.100 0.000 2.423 554 L HA 0.341 4.178 4.340 -0.839 0.000 0.249 554 L C 0.215 177.091 176.870 0.010 0.000 1.276 554 L CA -0.346 54.532 54.840 0.062 0.000 1.199 554 L CB -1.266 40.815 42.059 0.037 0.000 1.407 554 L HN 0.178 nan 8.230 nan 0.000 0.410 555 C N -1.005 118.304 119.300 0.015 0.000 3.306 555 C HA 0.498 4.454 4.460 -0.839 0.000 0.335 555 C C -0.350 174.602 174.990 -0.064 0.000 1.382 555 C CA -1.166 57.834 59.018 -0.030 0.000 1.254 555 C CB 1.443 29.206 27.740 0.038 0.000 1.555 555 C HN 0.466 nan 8.230 nan 0.000 0.463 556 H N 1.275 120.425 119.070 0.134 0.000 2.511 556 H HA 0.575 4.627 4.556 -0.840 0.000 0.346 556 H C 0.465 175.908 175.328 0.193 0.000 1.128 556 H CA 0.629 56.759 56.048 0.137 0.000 1.342 556 H CB 1.829 31.640 29.762 0.081 0.000 1.470 556 H HN 0.933 nan 8.280 nan 0.000 0.546 557 S N 2.382 118.287 115.700 0.341 0.000 2.585 557 S HA 0.452 4.419 4.470 -0.839 0.000 0.277 557 S C -0.281 174.440 174.600 0.202 0.000 1.241 557 S CA -0.864 57.543 58.200 0.345 0.000 1.041 557 S CB 1.304 64.739 63.200 0.391 0.000 0.987 557 S HN 0.389 nan 8.310 nan 0.000 0.512 558 L N 2.756 124.052 121.223 0.123 0.000 2.406 558 L HA 0.493 4.330 4.340 -0.839 0.000 0.272 558 L C -1.454 175.431 176.870 0.024 0.000 0.980 558 L CA -0.765 54.112 54.840 0.061 0.000 0.831 558 L CB 1.760 43.839 42.059 0.033 0.000 1.253 558 L HN 0.856 nan 8.230 nan 0.000 0.406 559 Y N 5.626 125.888 120.300 -0.063 0.000 2.350 559 Y HA 0.596 4.643 4.550 -0.838 0.000 0.340 559 Y C -1.118 174.753 175.900 -0.049 0.000 1.006 559 Y CA -0.616 57.441 58.100 -0.071 0.000 1.166 559 Y CB 0.739 39.179 38.460 -0.034 0.000 1.168 559 Y HN 0.514 nan 8.280 nan 0.000 0.502 560 L N 9.871 130.802 121.223 -0.486 0.000 2.257 560 L HA 0.341 4.178 4.340 -0.839 0.000 0.290 560 L C -1.782 174.698 176.870 -0.650 0.000 1.044 560 L CA -1.792 52.795 54.840 -0.421 0.000 0.810 560 L CB 1.284 43.191 42.059 -0.253 0.000 1.193 560 L HN 0.567 nan 8.230 nan 0.000 0.425 561 P HA -0.042 nan 4.420 nan 0.000 0.221 561 P C 1.025 178.184 177.300 -0.236 0.000 1.155 561 P CA 0.768 63.619 63.100 -0.415 0.000 0.812 561 P CB 0.502 32.115 31.700 -0.144 0.000 0.801 562 E N 0.002 120.098 120.200 -0.174 0.000 2.047 562 E HA -0.108 3.739 4.350 -0.839 0.000 0.191 562 E C 1.816 178.356 176.600 -0.100 0.000 0.987 562 E CA 1.844 58.179 56.400 -0.109 0.000 0.799 562 E CB -0.337 29.312 29.700 -0.084 0.000 0.752 562 E HN 0.263 nan 8.360 nan 0.000 0.449 563 S N -0.331 115.295 115.700 -0.123 0.000 2.556 563 S HA 0.083 4.049 4.470 -0.839 0.000 0.216 563 S C 0.273 174.824 174.600 -0.082 0.000 0.970 563 S CA -0.002 58.147 58.200 -0.085 0.000 0.912 563 S CB 0.060 63.214 63.200 -0.077 0.000 0.790 563 S HN 0.213 nan 8.310 nan 0.000 0.504 564 E N 1.290 121.396 120.200 -0.156 0.000 2.539 564 E HA -0.209 3.637 4.350 -0.839 0.000 0.253 564 E C 0.209 176.806 176.600 -0.005 0.000 1.145 564 E CA 0.628 56.976 56.400 -0.086 0.000 0.738 564 E CB -1.947 27.847 29.700 0.157 0.000 1.308 564 E HN 0.862 nan 8.360 nan 0.000 0.409 565 S N -1.298 114.326 115.700 -0.127 0.000 2.748 565 S HA 0.771 4.738 4.470 -0.839 0.000 0.299 565 S C 0.227 174.729 174.600 -0.163 0.000 1.119 565 S CA -1.089 57.061 58.200 -0.083 0.000 0.997 565 S CB 1.762 64.917 63.200 -0.075 0.000 1.223 565 S HN 0.079 nan 8.310 nan 0.000 0.541 566 M N 0.399 119.827 119.600 -0.287 0.000 2.761 566 M HA 0.712 4.688 4.480 -0.839 0.000 0.305 566 M C -0.131 175.897 176.300 -0.453 0.000 1.235 566 M CA -0.334 54.637 55.300 -0.548 0.000 0.850 566 M CB 1.521 33.288 32.600 -1.388 0.000 1.744 566 M HN 0.985 nan 8.290 nan 0.000 0.480 567 T N -0.095 114.243 114.554 -0.360 0.000 2.677 567 T HA 0.567 4.414 4.350 -0.839 0.000 0.305 567 T C -1.569 173.180 174.700 0.081 0.000 1.569 567 T CA -0.703 61.352 62.100 -0.076 0.000 0.984 567 T CB 1.864 70.705 68.868 -0.045 0.000 1.629 567 T HN 0.677 nan 8.240 nan 0.000 0.494 568 R N 0.776 121.357 120.500 0.135 0.000 2.832 568 R HA 0.780 4.617 4.340 -0.839 0.000 0.271 568 R C -0.517 175.852 176.300 0.115 0.000 0.996 568 R CA -0.973 55.229 56.100 0.171 0.000 0.977 568 R CB 1.794 32.175 30.300 0.135 0.000 1.168 568 R HN 0.422 nan 8.270 nan 0.000 0.482 569 R N 0.098 120.691 120.500 0.155 0.000 2.750 569 R HA 0.331 4.167 4.340 -0.839 0.000 0.281 569 R C -0.675 175.726 176.300 0.169 0.000 0.972 569 R CA -0.638 55.546 56.100 0.140 0.000 0.912 569 R CB 2.466 32.844 30.300 0.129 0.000 1.187 569 R HN 0.589 nan 8.270 nan 0.000 0.464 570 S N 1.046 116.816 115.700 0.118 0.000 2.558 570 S HA 0.026 3.993 4.470 -0.839 0.000 0.288 570 S C 0.285 174.978 174.600 0.155 0.000 1.318 570 S CA -0.435 57.821 58.200 0.094 0.000 1.056 570 S CB 0.662 63.900 63.200 0.064 0.000 0.853 570 S HN 0.234 nan 8.310 nan 0.000 0.505 571 V N 3.850 123.790 119.914 0.043 0.000 2.732 571 V HA 0.150 3.767 4.120 -0.839 0.000 0.297 571 V C 0.727 176.876 176.094 0.093 0.000 1.060 571 V CA -0.638 61.683 62.300 0.034 0.000 1.038 571 V CB 1.053 32.829 31.823 -0.078 0.000 1.003 571 V HN 0.817 nan 8.190 nan 0.000 0.481 572 N N 4.577 123.353 118.700 0.125 0.000 2.414 572 N HA 0.340 4.577 4.740 -0.839 0.000 0.256 572 N C -0.416 175.155 175.510 0.101 0.000 1.029 572 N CA -0.252 52.856 53.050 0.097 0.000 0.948 572 N CB 1.103 39.643 38.487 0.088 0.000 1.102 572 N HN 0.648 nan 8.380 nan 0.000 0.496 573 M N 2.691 122.343 119.600 0.087 0.000 2.963 573 M HA 0.210 4.187 4.480 -0.839 0.000 0.350 573 M C -0.809 175.541 176.300 0.082 0.000 1.253 573 M CA -0.081 55.278 55.300 0.099 0.000 0.856 573 M CB 0.433 33.091 32.600 0.097 0.000 1.356 573 M HN 0.309 nan 8.290 nan 0.000 0.510 574 E N 1.563 121.811 120.200 0.080 0.000 2.873 574 E HA 0.289 4.136 4.350 -0.839 0.000 0.232 574 E C -2.465 174.185 176.600 0.083 0.000 1.123 574 E CA -1.644 54.796 56.400 0.068 0.000 0.809 574 E CB 1.333 31.063 29.700 0.049 0.000 1.366 574 E HN 0.100 nan 8.360 nan 0.000 0.400 575 P HA 0.025 nan 4.420 nan 0.000 0.272 575 P C 0.382 177.748 177.300 0.109 0.000 1.223 575 P CA -0.368 62.813 63.100 0.135 0.000 0.784 575 P CB 1.019 32.826 31.700 0.179 0.000 0.923 576 K N 1.265 121.736 120.400 0.118 0.000 2.284 576 K HA 0.159 3.975 4.320 -0.839 0.000 0.198 576 K C 1.401 178.065 176.600 0.107 0.000 1.048 576 K CA 1.001 57.344 56.287 0.094 0.000 0.987 576 K CB -0.110 32.439 32.500 0.080 0.000 0.800 576 K HN 0.430 nan 8.250 nan 0.000 0.486 577 L N 0.642 121.962 121.223 0.162 0.000 2.664 577 L HA 0.208 4.044 4.340 -0.839 0.000 0.233 577 L C 0.630 177.613 176.870 0.190 0.000 1.113 577 L CA -0.234 54.725 54.840 0.198 0.000 0.896 577 L CB 0.239 42.474 42.059 0.294 0.000 1.163 577 L HN 0.070 nan 8.230 nan 0.000 0.497 578 R N -1.068 119.520 120.500 0.147 0.000 2.733 578 R HA 0.580 4.416 4.340 -0.839 0.000 0.272 578 R C -3.139 173.149 176.300 -0.019 0.000 1.029 578 R CA -1.559 54.567 56.100 0.043 0.000 0.888 578 R CB 0.545 30.856 30.300 0.018 0.000 1.251 578 R HN -0.344 nan 8.270 nan 0.000 0.464 579 P HA 0.203 nan 4.420 nan 0.000 0.274 579 P C -0.682 176.494 177.300 -0.207 0.000 1.237 579 P CA -0.408 62.615 63.100 -0.129 0.000 0.793 579 P CB 0.800 32.405 31.700 -0.158 0.000 0.977 580 A N 1.386 124.141 122.820 -0.108 0.000 2.386 580 A HA 0.347 4.163 4.320 -0.839 0.000 0.246 580 A C -0.451 177.039 177.584 -0.158 0.000 1.089 580 A CA -0.077 51.931 52.037 -0.048 0.000 0.790 580 A CB -0.551 18.486 19.000 0.062 0.000 1.042 580 A HN 0.414 nan 8.150 nan 0.000 0.497 581 F N 1.811 121.848 119.950 0.145 0.000 2.411 581 F HA 0.380 4.405 4.527 -0.837 0.000 0.355 581 F C -1.587 174.322 175.800 0.181 0.000 1.117 581 F CA -1.790 56.322 58.000 0.186 0.000 1.139 581 F CB 1.014 40.176 39.000 0.270 0.000 1.120 581 F HN 0.343 nan 8.300 nan 0.000 0.493 582 P HA 0.241 nan 4.420 nan 0.000 0.277 582 P C -2.751 174.488 177.300 -0.102 0.000 1.240 582 P CA -1.874 61.272 63.100 0.077 0.000 0.798 582 P CB 0.225 31.937 31.700 0.020 0.000 0.979 583 P HA 0.177 nan 4.420 nan 0.000 0.271 583 P C -0.158 176.762 177.300 -0.634 0.000 1.220 583 P CA 0.233 62.772 63.100 -0.934 0.000 0.768 583 P CB 0.378 31.800 31.700 -0.464 0.000 0.848 584 K N 1.866 121.811 120.400 -0.759 0.000 2.399 584 K HA 0.538 4.355 4.320 -0.839 0.000 0.260 584 K C -0.937 175.567 176.600 -0.160 0.000 1.049 584 K CA -1.102 55.023 56.287 -0.270 0.000 0.890 584 K CB 0.708 33.151 32.500 -0.095 0.000 1.430 584 K HN 0.000 nan 8.250 nan 0.000 0.459 585 I N 1.866 122.407 120.570 -0.048 0.000 2.533 585 I HA 0.121 3.788 4.170 -0.839 0.000 0.284 585 I C 0.546 176.683 176.117 0.032 0.000 1.109 585 I CA 0.192 61.494 61.300 0.004 0.000 1.412 585 I CB 0.455 38.461 38.000 0.010 0.000 1.396 585 I HN 0.481 nan 8.210 nan 0.000 0.543 586 R N 5.919 126.452 120.500 0.054 0.000 2.230 586 R HA 0.452 4.288 4.340 -0.839 0.000 0.337 586 R C -0.808 175.442 176.300 -0.083 0.000 1.063 586 R CA -0.242 55.857 56.100 -0.002 0.000 0.935 586 R CB 0.354 30.692 30.300 0.064 0.000 1.121 586 R HN 0.833 nan 8.270 nan 0.000 0.486 587 T N 0.507 114.972 114.554 -0.148 0.000 2.900 587 T HA 0.425 4.271 4.350 -0.839 0.000 0.295 587 T C -0.733 173.839 174.700 -0.214 0.000 1.044 587 T CA -0.637 61.405 62.100 -0.096 0.000 0.995 587 T CB 1.237 70.110 68.868 0.009 0.000 1.072 587 T HN 0.354 nan 8.240 nan 0.000 0.473 588 Y N 0.000 120.339 120.300 0.066 0.000 2.660 588 Y HA 0.000 4.046 4.550 -0.840 0.000 0.201 588 Y CA 0.000 58.132 58.100 0.054 0.000 1.940 588 Y CB 0.000 38.486 38.460 0.044 0.000 1.050 588 Y HN 0.000 nan 8.280 nan 0.000 0.758