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 2f0z_1_A DATA FIRST_RESID 3 DATA SEQUENCE SLPVLQKESV FQSGAHAYRI PALLYLPGQQ SLLAFAEQRX XXXXXXAELI DATA SEQUENCE VLRRGDYDAP THQVQWQAQE VVAQARLDGH RSMNPCPLYD AQTGTLFLFF DATA SEQUENCE IAIPGQVTEQ QQLQTRANVT RLCQVTSTDH GRTWSSPRDL TDAAIGPAYR DATA SEQUENCE EWSTFAVGPG HCLQLNDRAR SLVVPAYAYR KLXXXXRPIP SAFCFLSHDH DATA SEQUENCE GRTWARGHFV AQDTLECQVA EVEXXXQRVV TLNARSHLRA RVQAQSTNDG DATA SEQUENCE LDFQESQLVK KLVEPPPQGC QGSVISFPSP RXXXXXPAQW LLYTHPTHSW DATA SEQUENCE QRADLGAYLN PRPPAPEAWS EPVLLAKGSC AYSDLQSMGT GPDGSPLFGC DATA SEQUENCE LYEANDYEEI VFLMFTLKQA FPAEY 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.517 174.600 -0.139 0.000 1.055 3 S CA 0.000 58.124 58.200 -0.127 0.000 1.107 3 S CB 0.000 63.148 63.200 -0.087 0.000 0.593 4 L N 5.033 126.143 121.223 -0.188 0.000 2.399 4 L HA 0.714 5.055 4.340 0.001 0.000 0.266 4 L C -1.967 174.818 176.870 -0.143 0.000 1.114 4 L CA -1.327 53.391 54.840 -0.203 0.000 0.804 4 L CB 0.496 42.361 42.059 -0.325 0.000 1.146 4 L HN 0.553 nan 8.230 nan 0.000 0.451 5 P HA 0.182 nan 4.420 nan 0.000 0.280 5 P C -0.810 176.474 177.300 -0.027 0.000 1.300 5 P CA -0.161 62.907 63.100 -0.054 0.000 0.785 5 P CB 0.757 32.433 31.700 -0.041 0.000 0.874 6 V N 1.872 121.790 119.914 0.007 0.000 3.267 6 V HA 0.373 4.493 4.120 0.001 0.000 0.317 6 V C 1.420 177.560 176.094 0.077 0.000 1.131 6 V CA -0.716 61.628 62.300 0.074 0.000 1.031 6 V CB 1.046 32.934 31.823 0.107 0.000 1.159 6 V HN 0.280 nan 8.190 nan 0.000 0.454 7 L N -0.481 120.804 121.223 0.103 0.000 2.202 7 L HA 0.331 4.671 4.340 0.001 0.000 0.205 7 L C 1.184 178.128 176.870 0.124 0.000 1.083 7 L CA 1.007 55.910 54.840 0.105 0.000 0.790 7 L CB 0.047 42.177 42.059 0.118 0.000 0.942 7 L HN 0.891 nan 8.230 nan 0.000 0.452 8 Q N 0.089 119.957 119.800 0.113 0.000 2.391 8 Q HA 0.296 4.636 4.340 0.001 0.000 0.279 8 Q C -1.382 174.661 176.000 0.072 0.000 1.028 8 Q CA -0.652 55.232 55.803 0.134 0.000 0.836 8 Q CB 2.404 31.295 28.738 0.256 0.000 1.414 8 Q HN -0.069 nan 8.270 nan 0.000 0.397 9 K N 2.795 123.253 120.400 0.097 0.000 2.896 9 K HA 0.210 4.531 4.320 0.001 0.000 0.228 9 K C -1.633 175.015 176.600 0.080 0.000 1.151 9 K CA -0.092 56.234 56.287 0.066 0.000 1.035 9 K CB 0.776 33.308 32.500 0.054 0.000 1.263 9 K HN 0.690 nan 8.250 nan 0.000 0.574 10 E N 0.794 121.066 120.200 0.119 0.000 2.299 10 E HA 0.419 4.770 4.350 0.001 0.000 0.265 10 E C -1.113 175.461 176.600 -0.044 0.000 0.911 10 E CA -0.987 55.447 56.400 0.056 0.000 0.789 10 E CB 1.842 31.604 29.700 0.103 0.000 1.246 10 E HN 0.112 nan 8.360 nan 0.000 0.427 11 S N 1.161 116.799 115.700 -0.104 0.000 2.452 11 S HA 0.130 4.600 4.470 0.001 0.000 0.284 11 S C 0.950 175.353 174.600 -0.328 0.000 1.171 11 S CA -0.503 57.591 58.200 -0.177 0.000 1.064 11 S CB 1.206 64.338 63.200 -0.112 0.000 0.967 11 S HN 0.519 nan 8.310 nan 0.000 0.484 12 V N 1.310 120.908 119.914 -0.527 0.000 2.649 12 V HA 0.378 4.499 4.120 0.001 0.000 0.248 12 V C -0.114 175.377 176.094 -1.005 0.000 1.054 12 V CA 0.885 62.611 62.300 -0.957 0.000 1.073 12 V CB -0.556 30.418 31.823 -1.415 0.000 0.699 12 V HN 0.583 nan 8.190 nan 0.000 0.463 13 F N 0.490 120.213 119.950 -0.377 0.000 2.547 13 F HA 0.746 5.274 4.527 0.001 0.000 0.316 13 F C -0.216 175.458 175.800 -0.209 0.000 1.121 13 F CA -0.731 57.004 58.000 -0.441 0.000 0.911 13 F CB 2.012 40.656 39.000 -0.594 0.000 1.179 13 F HN -0.003 nan 8.300 nan 0.000 0.443 14 Q N 1.209 121.067 119.800 0.096 0.000 2.323 14 Q HA 0.428 4.768 4.340 0.001 0.000 0.271 14 Q C -1.052 175.164 176.000 0.361 0.000 1.048 14 Q CA -0.592 55.319 55.803 0.179 0.000 0.792 14 Q CB 1.992 30.780 28.738 0.084 0.000 1.280 14 Q HN 0.645 nan 8.270 nan 0.000 0.441 15 S N 2.691 118.569 115.700 0.296 0.000 3.517 15 S HA 0.199 4.669 4.470 0.001 0.000 0.284 15 S C 0.304 174.980 174.600 0.127 0.000 1.260 15 S CA 0.106 58.441 58.200 0.225 0.000 0.975 15 S CB 0.188 63.469 63.200 0.135 0.000 1.540 15 S HN 0.757 nan 8.310 nan 0.000 0.506 16 G N 1.978 110.865 108.800 0.146 0.000 2.508 16 G HA2 0.392 4.353 3.960 0.001 0.000 0.217 16 G HA3 0.392 4.353 3.960 0.001 0.000 0.217 16 G C 1.113 175.978 174.900 -0.057 0.000 2.004 16 G CA 0.171 45.302 45.100 0.052 0.000 0.750 16 G HN 0.603 nan 8.290 nan 0.000 0.730 17 A N -0.046 122.669 122.820 -0.174 0.000 2.209 17 A HA 0.294 4.614 4.320 0.001 0.000 0.212 17 A C 0.829 177.942 177.584 -0.784 0.000 1.158 17 A CA 0.623 52.363 52.037 -0.496 0.000 0.742 17 A CB -0.582 18.041 19.000 -0.628 0.000 0.790 17 A HN 0.578 nan 8.150 nan 0.000 0.472 18 H N -2.749 116.284 119.070 -0.060 0.000 2.966 18 H HA 0.661 5.218 4.556 0.001 0.000 0.330 18 H C -0.840 174.255 175.328 -0.388 0.000 1.292 18 H CA -0.498 55.401 56.048 -0.248 0.000 1.127 18 H CB 1.426 30.980 29.762 -0.347 0.000 1.863 18 H HN 0.151 nan 8.280 nan 0.000 0.543 19 A N 1.047 123.604 122.820 -0.438 0.000 2.343 19 A HA 0.643 4.963 4.320 0.001 0.000 0.316 19 A C -1.824 175.400 177.584 -0.600 0.000 1.104 19 A CA -0.559 51.257 52.037 -0.368 0.000 0.768 19 A CB 0.834 19.727 19.000 -0.177 0.000 1.213 19 A HN 0.492 nan 8.150 nan 0.000 0.456 20 Y N 0.850 121.140 120.300 -0.017 0.000 2.462 20 Y HA 0.797 5.347 4.550 0.001 0.000 0.346 20 Y C 0.590 176.433 175.900 -0.094 0.000 0.976 20 Y CA -0.583 57.457 58.100 -0.100 0.000 1.044 20 Y CB 2.121 40.487 38.460 -0.156 0.000 1.230 20 Y HN 0.776 nan 8.280 nan 0.000 0.455 21 R N 1.573 122.080 120.500 0.012 0.000 2.752 21 R HA 0.533 4.873 4.340 0.001 0.000 0.271 21 R C -1.557 174.711 176.300 -0.053 0.000 1.026 21 R CA -1.088 54.984 56.100 -0.048 0.000 0.901 21 R CB 2.092 32.282 30.300 -0.184 0.000 1.243 21 R HN 0.662 nan 8.270 nan 0.000 0.463 22 I N -0.017 120.526 120.570 -0.045 0.000 7.141 22 I HA -0.145 4.026 4.170 0.001 0.000 0.126 22 I C -2.274 173.933 176.117 0.149 0.000 1.833 22 I CA -0.199 61.150 61.300 0.082 0.000 2.047 22 I CB -2.215 35.810 38.000 0.042 0.000 3.597 22 I HN 0.503 nan 8.210 nan 0.000 0.172 23 P HA 0.462 nan 4.420 nan 0.000 0.272 23 P C -0.289 177.182 177.300 0.286 0.000 1.230 23 P CA -0.052 63.178 63.100 0.216 0.000 0.788 23 P CB 1.821 33.666 31.700 0.243 0.000 0.949 24 A N 1.880 124.905 122.820 0.342 0.000 2.456 24 A HA 0.555 4.876 4.320 0.001 0.000 0.288 24 A C -1.651 176.235 177.584 0.503 0.000 1.042 24 A CA -0.489 51.797 52.037 0.415 0.000 0.738 24 A CB 0.859 20.097 19.000 0.396 0.000 1.266 24 A HN 0.461 nan 8.150 nan 0.000 0.407 25 L N 2.254 123.756 121.223 0.465 0.000 2.342 25 L HA 0.940 5.280 4.340 0.001 0.000 0.271 25 L C -1.378 175.754 176.870 0.437 0.000 1.008 25 L CA -0.845 54.257 54.840 0.436 0.000 0.818 25 L CB 1.807 44.096 42.059 0.384 0.000 1.296 25 L HN 0.754 nan 8.230 nan 0.000 0.427 26 L N 4.323 125.794 121.223 0.414 0.000 2.516 26 L HA 0.438 4.779 4.340 0.001 0.000 0.267 26 L C -1.814 175.239 176.870 0.304 0.000 0.957 26 L CA -0.268 54.806 54.840 0.390 0.000 0.860 26 L CB 1.490 43.844 42.059 0.492 0.000 1.265 26 L HN 0.569 nan 8.230 nan 0.000 0.403 27 Y N 5.055 125.425 120.300 0.116 0.000 2.310 27 Y HA 0.664 5.215 4.550 0.001 0.000 0.326 27 Y C -0.933 174.936 175.900 -0.051 0.000 1.151 27 Y CA -0.779 57.331 58.100 0.016 0.000 1.195 27 Y CB 1.231 39.698 38.460 0.012 0.000 1.210 27 Y HN 0.557 nan 8.280 nan 0.000 0.483 28 L N 9.031 129.755 121.223 -0.831 0.000 2.384 28 L HA 0.306 4.646 4.340 0.001 0.000 0.261 28 L C -1.670 174.541 176.870 -1.097 0.000 1.024 28 L CA -1.718 52.624 54.840 -0.830 0.000 0.899 28 L CB 1.709 43.335 42.059 -0.723 0.000 1.243 28 L HN 0.561 nan 8.230 nan 0.000 0.449 29 P HA -0.174 nan 4.420 nan 0.000 0.218 29 P C 1.411 178.533 177.300 -0.297 0.000 1.146 29 P CA 1.350 64.130 63.100 -0.533 0.000 0.813 29 P CB 0.417 32.058 31.700 -0.098 0.000 0.778 30 G N 1.213 109.849 108.800 -0.273 0.000 2.421 30 G HA2 -0.217 3.743 3.960 0.001 0.000 0.216 30 G HA3 -0.217 3.743 3.960 0.001 0.000 0.216 30 G C 1.420 176.212 174.900 -0.181 0.000 1.171 30 G CA 0.731 45.734 45.100 -0.162 0.000 0.775 30 G HN 0.356 nan 8.290 nan 0.000 0.543 31 Q N -0.093 119.530 119.800 -0.295 0.000 2.247 31 Q HA 0.174 4.515 4.340 0.001 0.000 0.204 31 Q C 0.274 176.141 176.000 -0.222 0.000 0.872 31 Q CA 0.077 55.733 55.803 -0.247 0.000 0.951 31 Q CB -0.142 28.406 28.738 -0.318 0.000 1.099 31 Q HN 0.623 nan 8.270 nan 0.000 0.501 32 Q N 0.868 120.505 119.800 -0.273 0.000 2.435 32 Q HA -0.128 4.212 4.340 0.001 0.000 0.312 32 Q C -0.895 175.077 176.000 -0.047 0.000 1.333 32 Q CA 0.700 56.445 55.803 -0.096 0.000 0.883 32 Q CB -1.583 27.216 28.738 0.101 0.000 1.170 32 Q HN 0.277 nan 8.270 nan 0.000 0.443 33 S N -0.022 115.526 115.700 -0.253 0.000 2.536 33 S HA 0.732 5.202 4.470 0.001 0.000 0.298 33 S C -0.216 174.288 174.600 -0.161 0.000 1.083 33 S CA -0.780 57.292 58.200 -0.214 0.000 0.995 33 S CB 1.578 64.609 63.200 -0.282 0.000 1.058 33 S HN 0.291 nan 8.310 nan 0.000 0.488 34 L N 2.286 123.393 121.223 -0.193 0.000 2.334 34 L HA 0.616 4.956 4.340 0.001 0.000 0.272 34 L C -1.047 175.770 176.870 -0.087 0.000 1.020 34 L CA -0.752 54.036 54.840 -0.087 0.000 0.812 34 L CB 1.151 43.100 42.059 -0.184 0.000 1.264 34 L HN 0.385 nan 8.230 nan 0.000 0.439 35 L N 2.381 123.643 121.223 0.065 0.000 2.372 35 L HA 0.559 4.899 4.340 0.001 0.000 0.273 35 L C -0.340 176.540 176.870 0.017 0.000 0.989 35 L CA -0.450 54.383 54.840 -0.011 0.000 0.841 35 L CB 1.843 43.923 42.059 0.036 0.000 1.225 35 L HN 0.644 nan 8.230 nan 0.000 0.414 36 A N 4.339 127.166 122.820 0.012 0.000 2.253 36 A HA 0.757 5.078 4.320 0.001 0.000 0.316 36 A C -0.970 176.622 177.584 0.014 0.000 1.327 36 A CA -0.209 51.909 52.037 0.135 0.000 0.917 36 A CB 0.078 19.152 19.000 0.124 0.000 1.162 36 A HN 0.498 nan 8.150 nan 0.000 0.535 37 F N 1.470 121.592 119.950 0.287 0.000 2.483 37 F HA 0.793 5.320 4.527 0.001 0.000 0.329 37 F C 0.627 176.403 175.800 -0.040 0.000 1.064 37 F CA 0.059 58.144 58.000 0.141 0.000 0.986 37 F CB 2.285 41.353 39.000 0.113 0.000 1.218 37 F HN 0.775 nan 8.300 nan 0.000 0.484 38 A N 0.923 123.720 122.820 -0.037 0.000 2.597 38 A HA 0.502 4.823 4.320 0.001 0.000 0.292 38 A C -1.499 175.998 177.584 -0.145 0.000 1.057 38 A CA -0.910 50.983 52.037 -0.240 0.000 0.674 38 A CB 1.034 19.524 19.000 -0.851 0.000 1.278 38 A HN 0.696 nan 8.150 nan 0.000 0.416 39 E N 0.904 121.054 120.200 -0.083 0.000 2.259 39 E HA 0.335 4.685 4.350 0.001 0.000 0.281 39 E C -0.431 176.147 176.600 -0.037 0.000 1.027 39 E CA -0.180 56.186 56.400 -0.056 0.000 0.838 39 E CB 1.249 30.915 29.700 -0.057 0.000 1.066 39 E HN 0.518 nan 8.360 nan 0.000 0.401 40 Q N 3.290 123.063 119.800 -0.046 0.000 2.312 40 Q HA 0.421 4.761 4.340 0.001 0.000 0.263 40 Q C -1.010 174.894 176.000 -0.160 0.000 0.995 40 Q CA -0.690 55.040 55.803 -0.121 0.000 0.853 40 Q CB 0.947 29.674 28.738 -0.020 0.000 1.300 40 Q HN 0.378 nan 8.270 nan 0.000 0.448 50 E N -1.896 118.274 120.200 -0.050 0.000 3.529 50 E HA 0.510 4.861 4.350 0.001 0.000 0.268 50 E C -0.612 175.959 176.600 -0.049 0.000 1.217 50 E CA 0.545 56.919 56.400 -0.044 0.000 1.787 50 E CB 0.283 29.951 29.700 -0.054 0.000 2.123 50 E HN 0.631 nan 8.360 nan 0.000 0.855 51 L N 0.854 122.039 121.223 -0.063 0.000 2.230 51 L HA 0.624 4.965 4.340 0.001 0.000 0.255 51 L C -0.515 176.299 176.870 -0.093 0.000 1.039 51 L CA -1.120 53.671 54.840 -0.083 0.000 0.846 51 L CB 1.784 43.804 42.059 -0.065 0.000 1.419 51 L HN 0.119 nan 8.230 nan 0.000 0.435 52 I N 1.696 122.190 120.570 -0.126 0.000 2.410 52 I HA 0.350 4.521 4.170 0.001 0.000 0.286 52 I C -0.340 175.749 176.117 -0.046 0.000 1.009 52 I CA -0.736 60.501 61.300 -0.105 0.000 1.111 52 I CB 1.954 39.831 38.000 -0.205 0.000 1.262 52 I HN 0.260 nan 8.210 nan 0.000 0.443 53 V N 4.704 124.618 119.914 -0.001 0.000 3.096 53 V HA 0.737 4.858 4.120 0.001 0.000 0.319 53 V C -0.733 175.433 176.094 0.120 0.000 1.082 53 V CA -0.682 61.650 62.300 0.052 0.000 1.022 53 V CB 2.119 33.984 31.823 0.070 0.000 1.103 53 V HN 0.591 nan 8.190 nan 0.000 0.455 54 L N 1.172 122.477 121.223 0.137 0.000 2.424 54 L HA 0.822 5.163 4.340 0.001 0.000 0.258 54 L C -0.671 176.239 176.870 0.067 0.000 0.995 54 L CA -0.774 54.081 54.840 0.025 0.000 0.821 54 L CB 2.187 44.222 42.059 -0.040 0.000 1.383 54 L HN 0.980 nan 8.230 nan 0.000 0.410 55 R N 2.985 123.479 120.500 -0.010 0.000 2.549 55 R HA 0.418 4.759 4.340 0.001 0.000 0.291 55 R C -1.341 175.019 176.300 0.100 0.000 1.164 55 R CA -0.675 55.424 56.100 -0.001 0.000 0.973 55 R CB 0.977 31.144 30.300 -0.222 0.000 1.210 55 R HN 0.720 nan 8.270 nan 0.000 0.422 56 R N 2.393 122.907 120.500 0.023 0.000 2.340 56 R HA 0.421 4.761 4.340 0.001 0.000 0.300 56 R C -0.947 175.240 176.300 -0.188 0.000 1.069 56 R CA -0.016 56.039 56.100 -0.076 0.000 0.984 56 R CB 1.472 31.718 30.300 -0.090 0.000 1.003 56 R HN 0.783 nan 8.270 nan 0.000 0.459 57 G N 4.026 112.469 108.800 -0.595 0.000 2.702 57 G HA2 0.223 4.184 3.960 0.001 0.000 0.295 57 G HA3 0.223 4.184 3.960 0.001 0.000 0.295 57 G C -1.038 173.391 174.900 -0.787 0.000 1.446 57 G CA -0.575 43.873 45.100 -1.087 0.000 0.983 57 G HN 0.573 nan 8.290 nan 0.000 0.520 58 D N 1.252 121.359 120.400 -0.489 0.000 2.351 58 D HA 0.091 4.732 4.640 0.001 0.000 0.251 58 D C -0.541 175.601 176.300 -0.263 0.000 1.137 58 D CA 0.206 54.025 54.000 -0.302 0.000 0.879 58 D CB 1.979 42.651 40.800 -0.213 0.000 1.181 58 D HN 0.391 nan 8.370 nan 0.000 0.448 59 Y N 1.627 121.789 120.300 -0.229 0.000 2.393 59 Y HA 0.135 4.685 4.550 0.001 0.000 0.338 59 Y C -0.298 175.546 175.900 -0.093 0.000 1.029 59 Y CA -0.550 57.465 58.100 -0.143 0.000 1.239 59 Y CB 0.768 39.194 38.460 -0.057 0.000 1.170 59 Y HN 0.203 nan 8.280 nan 0.000 0.515 60 D N 4.985 124.904 120.400 -0.800 0.000 2.373 60 D HA 0.414 5.055 4.640 0.001 0.000 0.227 60 D C 0.627 176.428 176.300 -0.831 0.000 1.091 60 D CA 0.247 53.896 54.000 -0.585 0.000 0.840 60 D CB 1.428 42.009 40.800 -0.364 0.000 1.060 60 D HN 0.741 nan 8.370 nan 0.000 0.502 61 A N 5.357 127.908 122.820 -0.448 0.000 1.883 61 A HA -0.053 4.268 4.320 0.001 0.000 0.217 61 A C -0.482 176.967 177.584 -0.225 0.000 1.186 61 A CA 1.103 53.064 52.037 -0.127 0.000 0.624 61 A CB -1.372 17.688 19.000 0.101 0.000 0.822 61 A HN 0.575 nan 8.150 nan 0.000 0.444 62 P HA -0.176 nan 4.420 nan 0.000 0.214 62 P C 1.543 178.557 177.300 -0.476 0.000 1.169 62 P CA 2.472 65.396 63.100 -0.293 0.000 0.908 62 P CB -0.340 31.247 31.700 -0.188 0.000 0.791 63 T N -5.642 108.690 114.554 -0.369 0.000 3.129 63 T HA -0.007 4.343 4.350 0.001 0.000 0.251 63 T C 0.218 174.782 174.700 -0.228 0.000 1.117 63 T CA -0.019 61.906 62.100 -0.292 0.000 1.034 63 T CB -1.020 67.751 68.868 -0.163 0.000 0.968 63 T HN 0.192 nan 8.240 nan 0.000 0.526 64 H N 0.984 119.977 119.070 -0.128 0.000 2.770 64 H HA -0.089 4.467 4.556 0.001 0.000 0.309 64 H C -0.195 175.105 175.328 -0.045 0.000 1.206 64 H CA 0.811 56.841 56.048 -0.030 0.000 1.147 64 H CB -1.885 27.927 29.762 0.082 0.000 1.422 64 H HN 0.518 nan 8.280 nan 0.000 0.420 65 Q N -0.434 119.239 119.800 -0.212 0.000 2.552 65 Q HA 0.713 5.053 4.340 0.001 0.000 0.289 65 Q C 0.166 176.049 176.000 -0.195 0.000 1.097 65 Q CA -1.022 54.732 55.803 -0.081 0.000 0.812 65 Q CB 2.966 31.671 28.738 -0.054 0.000 1.460 65 Q HN 0.088 nan 8.270 nan 0.000 0.452 66 V N 1.834 121.739 119.914 -0.014 0.000 2.409 66 V HA 0.231 4.351 4.120 0.001 0.000 0.290 66 V C -0.858 175.063 176.094 -0.289 0.000 1.017 66 V CA -0.728 61.449 62.300 -0.206 0.000 0.841 66 V CB 1.603 33.272 31.823 -0.257 0.000 1.003 66 V HN 0.571 nan 8.190 nan 0.000 0.426 67 Q N 4.021 123.623 119.800 -0.331 0.000 2.389 67 Q HA 0.324 4.664 4.340 0.001 0.000 0.244 67 Q C -0.997 174.812 176.000 -0.318 0.000 1.056 67 Q CA 0.080 55.755 55.803 -0.212 0.000 0.908 67 Q CB 0.601 29.243 28.738 -0.159 0.000 1.273 67 Q HN 0.656 nan 8.270 nan 0.000 0.471 68 W N 2.745 123.966 121.300 -0.131 0.000 2.304 68 W HA 0.207 4.867 4.660 0.000 0.000 0.313 68 W C 0.644 177.076 176.519 -0.146 0.000 1.323 68 W CA -0.406 56.836 57.345 -0.173 0.000 1.223 68 W CB 0.478 29.801 29.460 -0.228 0.000 1.237 68 W HN 0.466 nan 8.180 nan 0.000 0.535 69 Q N 2.004 121.817 119.800 0.023 0.000 2.397 69 Q HA 0.501 4.841 4.340 0.001 0.000 0.193 69 Q C 0.228 176.235 176.000 0.010 0.000 1.083 69 Q CA -0.618 55.182 55.803 -0.005 0.000 1.108 69 Q CB 0.328 29.044 28.738 -0.037 0.000 1.172 69 Q HN 0.587 nan 8.270 nan 0.000 0.617 70 A N 0.938 123.755 122.820 -0.005 0.000 2.425 70 A HA 0.150 4.470 4.320 0.001 0.000 0.249 70 A C -0.007 177.570 177.584 -0.012 0.000 1.084 70 A CA -0.366 51.664 52.037 -0.011 0.000 0.781 70 A CB 0.104 19.103 19.000 -0.001 0.000 1.019 70 A HN 0.636 nan 8.150 nan 0.000 0.490 71 Q N 1.347 121.128 119.800 -0.032 0.000 2.471 71 Q HA 0.505 4.845 4.340 0.001 0.000 0.223 71 Q C -0.279 175.743 176.000 0.036 0.000 1.045 71 Q CA 0.175 55.977 55.803 -0.002 0.000 0.956 71 Q CB 0.435 29.178 28.738 0.008 0.000 1.249 71 Q HN 0.799 nan 8.270 nan 0.000 0.549 72 E N -1.184 119.056 120.200 0.067 0.000 2.401 72 E HA 0.433 4.783 4.350 0.001 0.000 0.280 72 E C -1.584 175.061 176.600 0.075 0.000 1.039 72 E CA -1.073 55.367 56.400 0.067 0.000 0.814 72 E CB 1.292 31.038 29.700 0.076 0.000 1.275 72 E HN 0.374 nan 8.360 nan 0.000 0.448 73 V N 2.099 122.045 119.914 0.054 0.000 2.432 73 V HA 0.097 4.218 4.120 0.001 0.000 0.271 73 V C 0.122 176.230 176.094 0.023 0.000 1.046 73 V CA -0.612 61.704 62.300 0.027 0.000 0.945 73 V CB 1.274 33.103 31.823 0.009 0.000 0.992 73 V HN 0.577 nan 8.190 nan 0.000 0.471 74 V N 6.342 126.239 119.914 -0.028 0.000 2.266 74 V HA 0.056 4.177 4.120 0.001 0.000 0.240 74 V C 1.568 177.570 176.094 -0.153 0.000 1.225 74 V CA 0.683 62.906 62.300 -0.129 0.000 1.237 74 V CB -0.558 31.054 31.823 -0.352 0.000 1.343 74 V HN 1.062 nan 8.190 nan 0.000 0.496 75 A N 4.563 127.358 122.820 -0.042 0.000 1.892 75 A HA -0.208 4.112 4.320 0.001 0.000 0.218 75 A C 2.187 179.742 177.584 -0.048 0.000 1.188 75 A CA 1.790 53.809 52.037 -0.030 0.000 0.631 75 A CB -0.234 18.781 19.000 0.025 0.000 0.822 75 A HN 0.780 nan 8.150 nan 0.000 0.447 76 Q N -0.120 119.669 119.800 -0.019 0.000 2.369 76 Q HA 0.112 4.452 4.340 0.001 0.000 0.206 76 Q C 1.229 177.186 176.000 -0.072 0.000 0.963 76 Q CA 0.995 56.800 55.803 0.003 0.000 0.894 76 Q CB -0.908 27.887 28.738 0.094 0.000 0.965 76 Q HN 0.575 nan 8.270 nan 0.000 0.475 77 A N 2.269 124.928 122.820 -0.269 0.000 3.004 77 A HA 0.246 4.566 4.320 0.001 0.000 0.252 77 A C 0.306 177.510 177.584 -0.634 0.000 1.802 77 A CA -0.243 51.417 52.037 -0.628 0.000 1.424 77 A CB -0.934 17.508 19.000 -0.932 0.000 1.005 77 A HN 0.471 nan 8.150 nan 0.000 0.631 78 R N -0.888 119.517 120.500 -0.159 0.000 2.728 78 R HA 0.741 5.081 4.340 0.001 0.000 0.274 78 R C -2.179 174.174 176.300 0.089 0.000 1.030 78 R CA -0.940 55.148 56.100 -0.019 0.000 0.876 78 R CB 0.816 31.082 30.300 -0.057 0.000 1.259 78 R HN 0.118 nan 8.270 nan 0.000 0.468 79 L N 1.570 122.844 121.223 0.085 0.000 2.410 79 L HA 0.385 4.726 4.340 0.001 0.000 0.270 79 L C -0.827 176.090 176.870 0.078 0.000 0.983 79 L CA -1.250 53.598 54.840 0.013 0.000 0.822 79 L CB 2.297 44.248 42.059 -0.180 0.000 1.285 79 L HN 0.689 nan 8.230 nan 0.000 0.409 80 D N 2.773 123.218 120.400 0.074 0.000 2.586 80 D HA 0.051 4.691 4.640 0.001 0.000 0.234 80 D C 1.180 177.620 176.300 0.233 0.000 1.132 80 D CA 1.666 55.733 54.000 0.113 0.000 0.860 80 D CB 1.102 41.948 40.800 0.077 0.000 1.159 80 D HN 0.930 nan 8.370 nan 0.000 0.490 81 G N 2.230 111.131 108.800 0.167 0.000 2.184 81 G HA2 -0.257 3.704 3.960 0.001 0.000 0.264 81 G HA3 -0.257 3.704 3.960 0.001 0.000 0.264 81 G C 0.086 175.021 174.900 0.059 0.000 0.975 81 G CA 0.385 45.555 45.100 0.117 0.000 0.642 81 G HN 0.667 nan 8.290 nan 0.000 0.536 82 H N 0.009 119.096 119.070 0.028 0.000 2.569 82 H HA 0.714 5.270 4.556 0.001 0.000 0.357 82 H C 0.653 175.998 175.328 0.028 0.000 1.153 82 H CA -0.511 55.557 56.048 0.034 0.000 1.193 82 H CB 0.880 30.676 29.762 0.055 0.000 1.602 82 H HN 0.538 nan 8.280 nan 0.000 0.523 83 R N 1.052 121.626 120.500 0.122 0.000 2.474 83 R HA 0.644 4.985 4.340 0.001 0.000 0.295 83 R C -0.827 175.525 176.300 0.087 0.000 0.980 83 R CA -0.787 55.352 56.100 0.065 0.000 0.934 83 R CB 1.096 31.406 30.300 0.016 0.000 1.101 83 R HN 0.381 nan 8.270 nan 0.000 0.469 84 S N 3.103 118.828 115.700 0.042 0.000 2.562 84 S HA 0.530 5.000 4.470 0.001 0.000 0.275 84 S C -0.113 174.506 174.600 0.032 0.000 1.281 84 S CA -0.520 57.709 58.200 0.048 0.000 1.045 84 S CB 0.810 63.919 63.200 -0.152 0.000 0.962 84 S HN 0.543 nan 8.310 nan 0.000 0.503 85 M N 1.558 121.215 119.600 0.095 0.000 2.644 85 M HA 0.438 4.918 4.480 0.001 0.000 0.273 85 M C -0.768 175.599 176.300 0.112 0.000 1.253 85 M CA -0.769 54.570 55.300 0.065 0.000 0.852 85 M CB 1.347 33.973 32.600 0.044 0.000 1.708 85 M HN 0.592 nan 8.290 nan 0.000 0.471 86 N N 1.327 120.084 118.700 0.095 0.000 2.608 86 N HA -0.095 4.646 4.740 0.001 0.000 0.273 86 N C -2.673 172.920 175.510 0.139 0.000 1.133 86 N CA 0.010 53.137 53.050 0.129 0.000 0.726 86 N CB -0.914 37.652 38.487 0.132 0.000 0.890 86 N HN 0.357 nan 8.380 nan 0.000 0.548 87 P HA 0.139 nan 4.420 nan 0.000 0.276 87 P C -0.328 177.011 177.300 0.064 0.000 1.243 87 P CA -0.050 63.075 63.100 0.042 0.000 0.768 87 P CB 0.696 32.393 31.700 -0.005 0.000 0.856 88 C N 6.438 125.781 119.300 0.073 0.000 2.647 88 C HA 0.336 4.797 4.460 0.001 0.000 0.273 88 C C -2.020 173.072 174.990 0.171 0.000 1.088 88 C CA -1.773 57.338 59.018 0.155 0.000 1.529 88 C CB 0.901 28.767 27.740 0.211 0.000 1.810 88 C HN 0.490 nan 8.230 nan 0.000 0.422 89 P HA 0.439 nan 4.420 nan 0.000 0.275 89 P C -1.011 176.506 177.300 0.361 0.000 1.228 89 P CA -0.080 63.084 63.100 0.105 0.000 0.786 89 P CB 1.766 33.520 31.700 0.091 0.000 0.927 90 L N 3.804 125.296 121.223 0.449 0.000 2.543 90 L HA 0.446 4.787 4.340 0.001 0.000 0.265 90 L C -2.024 175.206 176.870 0.599 0.000 0.945 90 L CA -1.064 54.093 54.840 0.528 0.000 0.869 90 L CB 1.549 43.958 42.059 0.584 0.000 1.294 90 L HN 0.262 nan 8.230 nan 0.000 0.405 91 Y N 4.235 124.770 120.300 0.393 0.000 2.369 91 Y HA 0.440 4.990 4.550 0.000 0.000 0.337 91 Y C -0.309 175.787 175.900 0.326 0.000 0.961 91 Y CA -0.689 57.612 58.100 0.335 0.000 1.186 91 Y CB 0.867 39.475 38.460 0.247 0.000 1.139 91 Y HN 0.698 nan 8.280 nan 0.000 0.494 92 D N 5.212 125.445 120.400 -0.279 0.000 2.374 92 D HA 0.200 4.841 4.640 0.001 0.000 0.240 92 D C 0.804 176.725 176.300 -0.631 0.000 1.229 92 D CA 0.468 54.359 54.000 -0.181 0.000 0.895 92 D CB 1.361 42.256 40.800 0.158 0.000 1.046 92 D HN 0.827 nan 8.370 nan 0.000 0.498 93 A N 4.690 127.291 122.820 -0.364 0.000 1.902 93 A HA -0.215 4.106 4.320 0.001 0.000 0.217 93 A C 2.018 179.549 177.584 -0.088 0.000 1.181 93 A CA 1.111 53.047 52.037 -0.168 0.000 0.623 93 A CB -0.316 18.736 19.000 0.087 0.000 0.818 93 A HN 0.665 nan 8.150 nan 0.000 0.443 94 Q N -0.759 119.015 119.800 -0.043 0.000 1.967 94 Q HA -0.211 4.129 4.340 0.001 0.000 0.210 94 Q C 2.265 178.184 176.000 -0.135 0.000 1.005 94 Q CA 2.778 58.547 55.803 -0.057 0.000 0.862 94 Q CB -0.647 28.068 28.738 -0.039 0.000 0.939 94 Q HN 0.827 nan 8.270 nan 0.000 0.417 95 T N -3.717 110.718 114.554 -0.198 0.000 3.107 95 T HA 0.271 4.621 4.350 0.001 0.000 0.249 95 T C 1.123 175.746 174.700 -0.129 0.000 1.096 95 T CA 0.687 62.680 62.100 -0.178 0.000 1.012 95 T CB 0.300 69.047 68.868 -0.200 0.000 0.977 95 T HN 0.524 nan 8.240 nan 0.000 0.527 96 G N 1.383 110.082 108.800 -0.168 0.000 2.258 96 G HA2 -0.244 3.716 3.960 0.001 0.000 0.274 96 G HA3 -0.244 3.716 3.960 0.001 0.000 0.274 96 G C 0.076 174.968 174.900 -0.015 0.000 1.021 96 G CA 0.471 45.548 45.100 -0.038 0.000 0.798 96 G HN 0.690 nan 8.290 nan 0.000 0.507 97 T N 0.141 114.590 114.554 -0.175 0.000 2.875 97 T HA 0.585 4.935 4.350 0.001 0.000 0.284 97 T C 0.309 174.937 174.700 -0.119 0.000 0.995 97 T CA -0.416 61.568 62.100 -0.193 0.000 1.060 97 T CB 2.081 70.742 68.868 -0.346 0.000 0.967 97 T HN 0.341 nan 8.240 nan 0.000 0.476 98 L N 3.489 124.668 121.223 -0.073 0.000 2.307 98 L HA 0.607 4.947 4.340 0.001 0.000 0.284 98 L C -1.419 175.470 176.870 0.032 0.000 1.023 98 L CA -0.782 54.162 54.840 0.173 0.000 0.810 98 L CB 0.590 42.772 42.059 0.205 0.000 1.231 98 L HN 0.570 nan 8.230 nan 0.000 0.423 99 F N 5.031 125.144 119.950 0.272 0.000 2.469 99 F HA 0.461 4.989 4.527 0.001 0.000 0.332 99 F C -0.324 175.438 175.800 -0.063 0.000 1.103 99 F CA -0.610 57.416 58.000 0.045 0.000 0.979 99 F CB 1.871 40.798 39.000 -0.122 0.000 1.137 99 F HN 0.219 nan 8.300 nan 0.000 0.463 100 L N 5.135 126.321 121.223 -0.062 0.000 2.388 100 L HA 0.564 4.905 4.340 0.001 0.000 0.267 100 L C -1.517 175.226 176.870 -0.211 0.000 0.995 100 L CA -0.378 54.315 54.840 -0.244 0.000 0.864 100 L CB -0.027 41.686 42.059 -0.576 0.000 1.216 100 L HN 0.331 nan 8.230 nan 0.000 0.430 101 F N 5.196 125.176 119.950 0.049 0.000 2.370 101 F HA 0.751 5.278 4.527 0.001 0.000 0.324 101 F C 0.221 176.076 175.800 0.093 0.000 1.116 101 F CA -0.029 57.931 58.000 -0.066 0.000 1.123 101 F CB 1.083 39.970 39.000 -0.188 0.000 1.238 101 F HN 0.468 nan 8.300 nan 0.000 0.536 102 F N -0.718 119.270 119.950 0.063 0.000 2.900 102 F HA 0.629 5.156 4.527 0.001 0.000 0.321 102 F C -2.244 173.558 175.800 0.004 0.000 1.160 102 F CA -1.560 56.441 58.000 0.002 0.000 0.890 102 F CB 0.732 39.695 39.000 -0.061 0.000 1.334 102 F HN 0.069 nan 8.300 nan 0.000 0.459 103 I N 2.143 122.806 120.570 0.155 0.000 2.433 103 I HA 0.672 4.842 4.170 0.001 0.000 0.292 103 I C -0.367 175.838 176.117 0.147 0.000 1.001 103 I CA -1.090 60.228 61.300 0.030 0.000 1.119 103 I CB 1.202 39.172 38.000 -0.050 0.000 1.289 103 I HN 0.931 nan 8.210 nan 0.000 0.438 104 A N 8.100 130.982 122.820 0.103 0.000 2.287 104 A HA 0.831 5.151 4.320 0.001 0.000 0.317 104 A C -0.553 177.167 177.584 0.226 0.000 1.220 104 A CA -0.450 51.704 52.037 0.194 0.000 0.835 104 A CB 0.675 19.764 19.000 0.149 0.000 1.180 104 A HN 0.606 nan 8.150 nan 0.000 0.500 105 I N 3.107 123.796 120.570 0.197 0.000 2.465 105 I HA 0.320 4.490 4.170 0.001 0.000 0.291 105 I C -2.476 173.617 176.117 -0.040 0.000 1.014 105 I CA -2.531 58.834 61.300 0.108 0.000 1.093 105 I CB 2.512 40.527 38.000 0.024 0.000 1.267 105 I HN 0.374 nan 8.210 nan 0.000 0.431 106 P HA -0.057 nan 4.420 nan 0.000 0.260 106 P C 0.949 178.120 177.300 -0.216 0.000 1.172 106 P CA 0.750 63.587 63.100 -0.439 0.000 0.760 106 P CB 0.477 32.017 31.700 -0.267 0.000 0.773 107 G N 4.185 112.861 108.800 -0.206 0.000 3.087 107 G HA2 -0.370 3.590 3.960 0.001 0.000 0.316 107 G HA3 -0.370 3.590 3.960 0.001 0.000 0.316 107 G C 0.972 175.832 174.900 -0.066 0.000 0.941 107 G CA 0.803 45.843 45.100 -0.100 0.000 0.798 107 G HN 0.515 nan 8.290 nan 0.000 1.045 108 Q N 0.095 119.861 119.800 -0.056 0.000 2.392 108 Q HA 0.293 4.633 4.340 0.001 0.000 0.203 108 Q C 1.475 177.450 176.000 -0.043 0.000 0.917 108 Q CA 0.012 55.788 55.803 -0.044 0.000 0.939 108 Q CB -0.019 28.698 28.738 -0.036 0.000 1.063 108 Q HN 0.406 nan 8.270 nan 0.000 0.516 109 V N 2.873 122.757 119.914 -0.049 0.000 2.814 109 V HA -0.030 4.090 4.120 0.001 0.000 0.307 109 V C 0.942 177.013 176.094 -0.038 0.000 1.089 109 V CA 0.858 63.133 62.300 -0.041 0.000 1.212 109 V CB 0.251 32.048 31.823 -0.043 0.000 0.912 109 V HN 0.389 nan 8.190 nan 0.000 0.497 110 T N 0.399 114.931 114.554 -0.036 0.000 2.883 110 T HA 0.412 4.763 4.350 0.001 0.000 0.284 110 T C 0.823 175.497 174.700 -0.042 0.000 1.041 110 T CA -0.246 61.831 62.100 -0.037 0.000 1.007 110 T CB 1.800 70.645 68.868 -0.038 0.000 1.220 110 T HN 0.652 nan 8.240 nan 0.000 0.552 111 E N -0.288 119.885 120.200 -0.045 0.000 2.051 111 E HA -0.208 4.142 4.350 0.001 0.000 0.192 111 E C 1.987 178.528 176.600 -0.099 0.000 0.991 111 E CA 1.019 57.381 56.400 -0.063 0.000 0.799 111 E CB -0.046 29.631 29.700 -0.039 0.000 0.748 111 E HN 0.517 nan 8.360 nan 0.000 0.449 112 Q N 0.400 120.150 119.800 -0.084 0.000 2.124 112 Q HA -0.222 4.118 4.340 0.001 0.000 0.202 112 Q C 1.990 177.946 176.000 -0.074 0.000 0.977 112 Q CA 1.542 57.291 55.803 -0.089 0.000 0.850 112 Q CB -0.296 28.405 28.738 -0.063 0.000 0.901 112 Q HN 0.475 nan 8.270 nan 0.000 0.429 113 Q N 0.272 120.038 119.800 -0.056 0.000 2.084 113 Q HA -0.192 4.148 4.340 0.001 0.000 0.202 113 Q C 1.910 177.885 176.000 -0.042 0.000 0.978 113 Q CA 1.458 57.236 55.803 -0.042 0.000 0.844 113 Q CB 0.130 28.848 28.738 -0.034 0.000 0.898 113 Q HN 0.448 nan 8.270 nan 0.000 0.426 114 Q N -0.090 119.681 119.800 -0.048 0.000 2.123 114 Q HA -0.082 4.259 4.340 0.001 0.000 0.199 114 Q C 2.271 178.234 176.000 -0.061 0.000 0.966 114 Q CA 1.071 56.850 55.803 -0.039 0.000 0.845 114 Q CB 0.045 28.765 28.738 -0.031 0.000 0.907 114 Q HN 0.415 nan 8.270 nan 0.000 0.439 115 L N 0.606 121.758 121.223 -0.119 0.000 2.017 115 L HA -0.208 4.133 4.340 0.001 0.000 0.208 115 L C 2.757 179.571 176.870 -0.094 0.000 1.073 115 L CA 1.083 55.824 54.840 -0.165 0.000 0.745 115 L CB -0.501 41.386 42.059 -0.287 0.000 0.894 115 L HN 0.305 nan 8.230 nan 0.000 0.432 116 Q N 0.001 119.756 119.800 -0.075 0.000 2.049 116 Q HA -0.146 4.194 4.340 0.001 0.000 0.198 116 Q C 2.049 178.032 176.000 -0.029 0.000 0.971 116 Q CA 2.111 57.886 55.803 -0.048 0.000 0.833 116 Q CB -0.117 28.596 28.738 -0.043 0.000 0.896 116 Q HN 0.392 nan 8.270 nan 0.000 0.434 117 T N 0.818 115.357 114.554 -0.025 0.000 2.962 117 T HA -0.004 4.347 4.350 0.001 0.000 0.270 117 T C 0.468 175.167 174.700 -0.002 0.000 1.088 117 T CA 0.692 62.786 62.100 -0.011 0.000 1.127 117 T CB -0.077 68.787 68.868 -0.007 0.000 0.883 117 T HN 0.434 nan 8.240 nan 0.000 0.493 118 R N -0.495 120.002 120.500 -0.005 0.000 3.953 118 R HA -0.169 4.172 4.340 0.001 0.000 0.340 118 R C 0.027 176.340 176.300 0.022 0.000 1.195 118 R CA 0.531 56.637 56.100 0.011 0.000 0.929 118 R CB -1.991 28.319 30.300 0.016 0.000 1.402 118 R HN 0.438 nan 8.270 nan 0.000 0.540 119 A N 1.729 124.560 122.820 0.019 0.000 2.736 119 A HA 0.276 4.596 4.320 0.001 0.000 0.335 119 A C 0.100 177.708 177.584 0.039 0.000 1.446 119 A CA -0.491 51.566 52.037 0.033 0.000 1.028 119 A CB 0.248 19.268 19.000 0.034 0.000 1.154 119 A HN 0.233 nan 8.150 nan 0.000 0.507 120 N N 1.533 120.244 118.700 0.018 0.000 2.412 120 N HA 0.127 4.868 4.740 0.001 0.000 0.258 120 N C 0.677 176.262 175.510 0.126 0.000 1.236 120 N CA 1.040 54.086 53.050 -0.006 0.000 0.882 120 N CB 1.012 39.340 38.487 -0.266 0.000 1.066 120 N HN 0.801 nan 8.380 nan 0.000 0.465 121 V N -0.597 119.427 119.914 0.184 0.000 3.509 121 V HA 0.281 4.401 4.120 0.001 0.000 0.286 121 V C 0.385 176.649 176.094 0.284 0.000 1.618 121 V CA -0.369 62.087 62.300 0.260 0.000 1.088 121 V CB -0.378 31.528 31.823 0.138 0.000 0.909 121 V HN 0.447 nan 8.190 nan 0.000 0.429 122 T N 3.583 118.281 114.554 0.241 0.000 2.926 122 T HA 0.478 4.829 4.350 0.001 0.000 0.307 122 T C -0.032 174.853 174.700 0.308 0.000 1.059 122 T CA 0.214 62.381 62.100 0.112 0.000 1.122 122 T CB 0.476 69.190 68.868 -0.256 0.000 0.972 122 T HN 0.566 nan 8.240 nan 0.000 0.545 123 R N 1.419 122.027 120.500 0.179 0.000 2.575 123 R HA 0.454 4.794 4.340 0.001 0.000 0.293 123 R C -1.262 175.114 176.300 0.126 0.000 0.983 123 R CA -1.088 55.141 56.100 0.215 0.000 0.887 123 R CB 1.690 32.033 30.300 0.072 0.000 1.184 123 R HN 0.349 nan 8.270 nan 0.000 0.445 124 L N 2.899 124.240 121.223 0.196 0.000 2.290 124 L HA 0.375 4.716 4.340 0.001 0.000 0.284 124 L C -0.951 175.744 176.870 -0.290 0.000 1.078 124 L CA 0.094 54.920 54.840 -0.022 0.000 0.815 124 L CB 0.649 42.650 42.059 -0.096 0.000 1.162 124 L HN 0.709 nan 8.230 nan 0.000 0.435 125 C N 3.718 122.691 119.300 -0.546 0.000 3.154 125 C HA 0.885 5.346 4.460 0.001 0.000 0.312 125 C C -0.618 173.907 174.990 -0.775 0.000 1.349 125 C CA -0.715 57.843 59.018 -0.767 0.000 1.518 125 C CB 2.045 29.056 27.740 -1.215 0.000 1.934 125 C HN 0.906 nan 8.230 nan 0.000 0.462 126 Q N 0.174 119.681 119.800 -0.488 0.000 2.426 126 Q HA 0.801 5.141 4.340 0.001 0.000 0.278 126 Q C -1.598 174.416 176.000 0.023 0.000 1.007 126 Q CA -0.677 54.967 55.803 -0.266 0.000 0.850 126 Q CB 1.655 30.180 28.738 -0.354 0.000 1.427 126 Q HN 0.837 nan 8.270 nan 0.000 0.391 127 V N -1.514 118.461 119.914 0.102 0.000 2.962 127 V HA 0.955 5.076 4.120 0.001 0.000 0.313 127 V C -0.413 175.868 176.094 0.312 0.000 1.099 127 V CA -0.062 62.356 62.300 0.198 0.000 0.971 127 V CB 1.550 33.455 31.823 0.138 0.000 1.028 127 V HN 1.089 nan 8.190 nan 0.000 0.430 128 T N -0.864 113.924 114.554 0.391 0.000 2.906 128 T HA 0.809 5.159 4.350 0.001 0.000 0.295 128 T C -0.503 174.244 174.700 0.079 0.000 1.075 128 T CA -0.327 61.911 62.100 0.231 0.000 1.005 128 T CB 1.812 70.572 68.868 -0.180 0.000 1.136 128 T HN 1.503 nan 8.240 nan 0.000 0.498 129 S N -0.016 115.478 115.700 -0.344 0.000 2.547 129 S HA 0.568 5.038 4.470 0.001 0.000 0.281 129 S C 0.581 174.953 174.600 -0.379 0.000 1.118 129 S CA -0.184 57.636 58.200 -0.632 0.000 0.947 129 S CB 1.453 63.775 63.200 -1.463 0.000 1.053 129 S HN 1.092 nan 8.310 nan 0.000 0.482 130 T N 0.033 114.401 114.554 -0.310 0.000 3.054 130 T HA 0.225 4.575 4.350 0.001 0.000 0.255 130 T C 0.125 174.638 174.700 -0.312 0.000 1.035 130 T CA 0.308 62.260 62.100 -0.246 0.000 0.941 130 T CB -0.428 68.329 68.868 -0.184 0.000 1.026 130 T HN 0.656 nan 8.240 nan 0.000 0.533 131 D N -0.152 120.035 120.400 -0.356 0.000 2.623 131 D HA 0.123 4.764 4.640 0.001 0.000 0.252 131 D C -0.287 175.806 176.300 -0.344 0.000 1.294 131 D CA -0.774 52.996 54.000 -0.384 0.000 0.824 131 D CB -0.516 40.137 40.800 -0.244 0.000 1.070 131 D HN 0.242 nan 8.370 nan 0.000 0.487 132 H N 0.072 119.020 119.070 -0.203 0.000 2.982 132 H HA -0.035 4.522 4.556 0.001 0.000 0.336 132 H C 1.555 176.743 175.328 -0.233 0.000 1.302 132 H CA 0.291 56.226 56.048 -0.188 0.000 1.204 132 H CB -1.764 27.907 29.762 -0.152 0.000 1.502 132 H HN 0.636 nan 8.280 nan 0.000 0.446 133 G N 0.075 108.638 108.800 -0.396 0.000 2.225 133 G HA2 -0.458 3.502 3.960 0.001 0.000 0.272 133 G HA3 -0.458 3.502 3.960 0.001 0.000 0.272 133 G C 1.385 176.118 174.900 -0.278 0.000 0.996 133 G CA 1.154 45.912 45.100 -0.569 0.000 0.710 133 G HN 0.649 nan 8.290 nan 0.000 0.522 134 R N 0.190 120.541 120.500 -0.249 0.000 2.090 134 R HA 0.083 4.423 4.340 0.001 0.000 0.228 134 R C 1.461 177.693 176.300 -0.112 0.000 1.110 134 R CA 1.870 57.907 56.100 -0.105 0.000 0.973 134 R CB -0.033 30.214 30.300 -0.087 0.000 0.869 134 R HN 0.667 nan 8.270 nan 0.000 0.440 135 T N -3.372 111.017 114.554 -0.275 0.000 2.903 135 T HA 0.468 4.818 4.350 0.001 0.000 0.299 135 T C -1.228 173.238 174.700 -0.390 0.000 1.093 135 T CA -0.932 61.071 62.100 -0.162 0.000 1.002 135 T CB 1.560 70.376 68.868 -0.086 0.000 1.127 135 T HN 0.161 nan 8.240 nan 0.000 0.488 136 W N 1.073 122.385 121.300 0.020 0.000 2.781 136 W HA 0.641 5.301 4.660 0.000 0.000 0.345 136 W C 0.721 177.245 176.519 0.008 0.000 1.085 136 W CA -0.704 56.652 57.345 0.017 0.000 1.198 136 W CB 1.944 31.423 29.460 0.032 0.000 1.423 136 W HN 1.017 nan 8.180 nan 0.000 0.532 137 S N 0.243 116.107 115.700 0.273 0.000 2.617 137 S HA 0.410 4.880 4.470 0.001 0.000 0.259 137 S C 0.343 175.047 174.600 0.173 0.000 1.301 137 S CA -0.670 57.625 58.200 0.158 0.000 0.984 137 S CB 1.137 64.407 63.200 0.117 0.000 0.954 137 S HN 0.435 nan 8.310 nan 0.000 0.572 138 S N 1.705 117.475 115.700 0.116 0.000 2.593 138 S HA 0.387 4.858 4.470 0.001 0.000 0.269 138 S C -2.389 172.278 174.600 0.112 0.000 1.334 138 S CA -1.447 56.813 58.200 0.101 0.000 1.015 138 S CB -0.158 63.084 63.200 0.070 0.000 0.912 138 S HN 0.702 nan 8.310 nan 0.000 0.541 139 P HA 0.210 nan 4.420 nan 0.000 0.276 139 P C -1.221 176.116 177.300 0.061 0.000 1.230 139 P CA -0.237 62.937 63.100 0.124 0.000 0.776 139 P CB 0.365 32.160 31.700 0.159 0.000 0.888 140 R N 2.637 123.156 120.500 0.032 0.000 2.275 140 R HA 0.203 4.544 4.340 0.001 0.000 0.326 140 R C -0.610 175.648 176.300 -0.069 0.000 0.973 140 R CA -0.542 55.562 56.100 0.006 0.000 0.854 140 R CB 0.363 30.694 30.300 0.052 0.000 1.156 140 R HN 0.333 nan 8.270 nan 0.000 0.487 141 D N 5.300 125.654 120.400 -0.076 0.000 2.374 141 D HA 0.050 4.690 4.640 0.001 0.000 0.240 141 D C 0.624 176.855 176.300 -0.116 0.000 1.229 141 D CA -0.145 53.780 54.000 -0.124 0.000 0.895 141 D CB 0.826 41.559 40.800 -0.112 0.000 1.046 141 D HN 0.590 nan 8.370 nan 0.000 0.498 142 L N 2.715 123.841 121.223 -0.162 0.000 2.628 142 L HA 0.084 4.425 4.340 0.001 0.000 0.229 142 L C 2.042 178.805 176.870 -0.178 0.000 1.137 142 L CA -0.241 54.507 54.840 -0.154 0.000 0.909 142 L CB -0.333 41.585 42.059 -0.235 0.000 1.137 142 L HN 0.271 nan 8.230 nan 0.000 0.470 143 T N 0.821 115.270 114.554 -0.175 0.000 2.493 143 T HA -0.282 4.069 4.350 0.001 0.000 0.256 143 T C 1.272 175.824 174.700 -0.246 0.000 1.195 143 T CA 2.550 64.532 62.100 -0.195 0.000 1.183 143 T CB -0.316 68.428 68.868 -0.206 0.000 0.863 143 T HN 0.447 nan 8.240 nan 0.000 0.418 144 D N 1.219 121.465 120.400 -0.256 0.000 2.104 144 D HA -0.029 4.611 4.640 0.001 0.000 0.194 144 D C 2.338 178.556 176.300 -0.136 0.000 0.994 144 D CA 1.290 55.154 54.000 -0.226 0.000 0.830 144 D CB -0.380 40.311 40.800 -0.182 0.000 0.959 144 D HN 0.436 nan 8.370 nan 0.000 0.452 145 A N 0.586 123.354 122.820 -0.086 0.000 1.902 145 A HA 0.025 4.345 4.320 0.001 0.000 0.217 145 A C 2.218 179.807 177.584 0.008 0.000 1.181 145 A CA 1.974 53.995 52.037 -0.026 0.000 0.623 145 A CB -0.781 18.226 19.000 0.011 0.000 0.818 145 A HN 0.261 nan 8.150 nan 0.000 0.443 146 A N -0.643 122.175 122.820 -0.002 0.000 1.935 146 A HA 0.181 4.501 4.320 0.001 0.000 0.214 146 A C 2.049 179.703 177.584 0.117 0.000 1.178 146 A CA 1.265 53.354 52.037 0.088 0.000 0.640 146 A CB -0.342 18.631 19.000 -0.044 0.000 0.825 146 A HN 0.457 nan 8.150 nan 0.000 0.447 147 I N -1.541 119.014 120.570 -0.025 0.000 2.731 147 I HA 0.218 4.388 4.170 0.001 0.000 0.260 147 I C 1.685 177.657 176.117 -0.242 0.000 1.138 147 I CA 0.673 61.867 61.300 -0.177 0.000 1.461 147 I CB -0.607 37.170 38.000 -0.372 0.000 1.128 147 I HN 0.496 nan 8.210 nan 0.000 0.438 148 G N 1.653 110.344 108.800 -0.182 0.000 2.569 148 G HA2 -0.260 3.701 3.960 0.001 0.000 0.259 148 G HA3 -0.260 3.701 3.960 0.001 0.000 0.259 148 G C -1.740 173.063 174.900 -0.161 0.000 1.263 148 G CA -0.008 45.005 45.100 -0.146 0.000 0.928 148 G HN 0.106 nan 8.290 nan 0.000 0.572 149 P HA -0.063 nan 4.420 nan 0.000 0.216 149 P C 2.338 179.552 177.300 -0.142 0.000 1.157 149 P CA 3.262 66.309 63.100 -0.089 0.000 0.880 149 P CB -0.362 31.305 31.700 -0.054 0.000 0.791 150 A N -1.403 121.281 122.820 -0.227 0.000 2.054 150 A HA -0.291 4.030 4.320 0.001 0.000 0.223 150 A C 2.156 179.290 177.584 -0.751 0.000 1.169 150 A CA 1.757 53.568 52.037 -0.376 0.000 0.655 150 A CB -2.084 16.685 19.000 -0.384 0.000 0.812 150 A HN 0.224 nan 8.150 nan 0.000 0.462 151 Y N 1.228 121.054 120.300 -0.789 0.000 2.298 151 Y HA -0.307 4.244 4.550 0.001 0.000 0.287 151 Y C 2.413 178.165 175.900 -0.248 0.000 1.164 151 Y CA 2.205 59.918 58.100 -0.644 0.000 1.229 151 Y CB -0.155 38.080 38.460 -0.374 0.000 0.977 151 Y HN 0.573 nan 8.280 nan 0.000 0.538 152 R N -0.429 120.027 120.500 -0.073 0.000 2.240 152 R HA 0.017 4.357 4.340 0.001 0.000 0.203 152 R C 1.314 177.621 176.300 0.013 0.000 1.011 152 R CA 1.369 57.469 56.100 0.000 0.000 1.007 152 R CB -0.407 29.916 30.300 0.039 0.000 0.911 152 R HN 0.344 nan 8.270 nan 0.000 0.468 153 E N -0.116 120.096 120.200 0.020 0.000 2.442 153 E HA 0.015 4.365 4.350 0.001 0.000 0.195 153 E C -0.576 176.243 176.600 0.366 0.000 1.030 153 E CA -0.032 56.468 56.400 0.167 0.000 0.869 153 E CB 0.192 30.017 29.700 0.208 0.000 0.857 153 E HN 0.235 nan 8.360 nan 0.000 0.505 154 W N 0.545 121.817 121.300 -0.047 0.000 2.417 154 W HA 0.269 4.930 4.660 0.001 0.000 0.317 154 W C 0.992 177.482 176.519 -0.048 0.000 1.121 154 W CA -1.407 55.923 57.345 -0.025 0.000 1.208 154 W CB 1.162 30.607 29.460 -0.024 0.000 1.253 154 W HN -0.203 nan 8.180 nan 0.000 0.533 155 S N 0.525 116.368 115.700 0.238 0.000 2.478 155 S HA 0.071 4.541 4.470 0.001 0.000 0.222 155 S C 0.518 175.191 174.600 0.122 0.000 1.008 155 S CA 0.790 59.062 58.200 0.120 0.000 0.928 155 S CB 0.274 63.515 63.200 0.067 0.000 0.781 155 S HN 0.580 nan 8.310 nan 0.000 0.518 156 T N 0.043 114.747 114.554 0.251 0.000 2.737 156 T HA 0.455 4.805 4.350 0.001 0.000 0.312 156 T C -2.160 172.771 174.700 0.385 0.000 1.857 156 T CA -0.822 61.420 62.100 0.237 0.000 0.999 156 T CB 0.217 69.129 68.868 0.072 0.000 1.854 156 T HN 0.217 nan 8.240 nan 0.000 0.513 157 F N 0.057 120.097 119.950 0.151 0.000 2.789 157 F HA 0.990 5.517 4.527 0.001 0.000 0.319 157 F C -1.078 174.625 175.800 -0.161 0.000 1.168 157 F CA -0.645 57.335 58.000 -0.034 0.000 0.934 157 F CB 0.921 40.039 39.000 0.196 0.000 1.375 157 F HN 0.999 nan 8.300 nan 0.000 0.480 158 A N 0.376 122.969 122.820 -0.378 0.000 2.608 158 A HA 0.727 5.048 4.320 0.001 0.000 0.292 158 A C -1.611 175.921 177.584 -0.088 0.000 1.066 158 A CA -0.308 51.534 52.037 -0.325 0.000 0.676 158 A CB 1.201 19.981 19.000 -0.367 0.000 1.277 158 A HN 1.942 nan 8.150 nan 0.000 0.413 159 V N -0.240 119.690 119.914 0.028 0.000 2.667 159 V HA 0.909 5.030 4.120 0.001 0.000 0.308 159 V C 1.058 177.194 176.094 0.071 0.000 1.048 159 V CA 0.288 62.611 62.300 0.040 0.000 0.928 159 V CB 0.400 32.230 31.823 0.011 0.000 1.004 159 V HN 2.893 nan 8.190 nan 0.000 0.444 160 G N 3.938 112.766 108.800 0.047 0.000 2.634 160 G HA2 -0.220 3.741 3.960 0.001 0.000 0.309 160 G HA3 -0.220 3.741 3.960 0.001 0.000 0.309 160 G C -1.824 173.163 174.900 0.145 0.000 1.265 160 G CA 0.364 45.508 45.100 0.074 0.000 0.998 160 G HN 1.010 nan 8.290 nan 0.000 0.551 161 P HA 0.498 nan 4.420 nan 0.000 0.274 161 P C 0.524 177.914 177.300 0.150 0.000 1.256 161 P CA 1.553 64.758 63.100 0.176 0.000 0.795 161 P CB 0.843 32.692 31.700 0.247 0.000 1.038 162 G N -0.570 108.339 108.800 0.182 0.000 2.479 162 G HA2 -0.046 3.914 3.960 0.001 0.000 0.686 162 G HA3 -0.046 3.914 3.960 0.001 0.000 0.686 162 G C -0.462 174.551 174.900 0.188 0.000 1.295 162 G CA -0.556 44.677 45.100 0.222 0.000 0.922 162 G HN 1.048 nan 8.290 nan 0.000 0.582 163 H N -0.846 118.366 119.070 0.237 0.000 2.972 163 H HA 0.403 4.959 4.556 0.001 0.000 0.343 163 H C 0.872 176.334 175.328 0.224 0.000 1.054 163 H CA 0.667 56.868 56.048 0.255 0.000 1.412 163 H CB -0.194 29.735 29.762 0.280 0.000 1.385 163 H HN 0.717 nan 8.280 nan 0.000 0.600 164 C N 2.900 122.329 119.300 0.215 0.000 2.551 164 C HA 0.553 5.013 4.460 0.001 0.000 0.377 164 C C 0.580 175.700 174.990 0.216 0.000 1.622 164 C CA -0.752 58.353 59.018 0.144 0.000 1.980 164 C CB 0.724 28.599 27.740 0.225 0.000 1.946 164 C HN 0.813 nan 8.230 nan 0.000 0.525 165 L N 1.058 122.391 121.223 0.182 0.000 2.408 165 L HA 0.528 4.868 4.340 0.001 0.000 0.268 165 L C -0.707 176.271 176.870 0.180 0.000 0.986 165 L CA -0.030 54.935 54.840 0.208 0.000 0.820 165 L CB 1.472 43.637 42.059 0.176 0.000 1.303 165 L HN 0.808 nan 8.230 nan 0.000 0.411 166 Q N 3.866 123.780 119.800 0.190 0.000 2.312 166 Q HA 0.642 4.983 4.340 0.001 0.000 0.263 166 Q C -1.560 174.516 176.000 0.126 0.000 0.995 166 Q CA -0.703 55.188 55.803 0.147 0.000 0.853 166 Q CB 1.569 30.406 28.738 0.165 0.000 1.300 166 Q HN 0.826 nan 8.270 nan 0.000 0.448 167 L N 2.780 124.056 121.223 0.089 0.000 2.431 167 L HA 0.380 4.721 4.340 0.001 0.000 0.260 167 L C 0.535 177.448 176.870 0.072 0.000 1.098 167 L CA -0.429 54.458 54.840 0.079 0.000 0.800 167 L CB 0.864 42.959 42.059 0.059 0.000 1.210 167 L HN 0.789 nan 8.230 nan 0.000 0.465 168 N N -0.150 118.589 118.700 0.064 0.000 2.276 168 N HA -0.019 4.722 4.740 0.001 0.000 0.212 168 N C -0.417 175.117 175.510 0.041 0.000 1.127 168 N CA -0.318 52.767 53.050 0.058 0.000 0.834 168 N CB 0.279 38.800 38.487 0.057 0.000 1.014 168 N HN 0.642 nan 8.380 nan 0.000 0.491 169 D N 1.271 121.691 120.400 0.034 0.000 2.393 169 D HA -0.039 4.601 4.640 0.001 0.000 0.246 169 D C 1.476 177.785 176.300 0.014 0.000 1.275 169 D CA -0.350 53.661 54.000 0.017 0.000 0.979 169 D CB 0.785 41.592 40.800 0.011 0.000 1.101 169 D HN 0.020 nan 8.370 nan 0.000 0.505 170 R N 0.275 120.774 120.500 -0.003 0.000 2.159 170 R HA -0.233 4.107 4.340 0.001 0.000 0.249 170 R C 1.763 178.064 176.300 0.003 0.000 1.136 170 R CA 2.108 58.205 56.100 -0.005 0.000 0.951 170 R CB -1.584 28.698 30.300 -0.029 0.000 0.876 170 R HN 0.485 nan 8.270 nan 0.000 0.440 171 A N 0.586 123.398 122.820 -0.013 0.000 2.218 171 A HA 0.153 4.474 4.320 0.001 0.000 0.209 171 A C 0.329 177.869 177.584 -0.073 0.000 1.168 171 A CA -0.110 51.907 52.037 -0.034 0.000 0.804 171 A CB 0.145 19.115 19.000 -0.049 0.000 0.834 171 A HN 0.292 nan 8.150 nan 0.000 0.482 172 R N 0.005 120.500 120.500 -0.008 0.000 3.531 172 R HA -0.114 4.226 4.340 0.001 0.000 0.280 172 R C -0.198 176.060 176.300 -0.070 0.000 1.130 172 R CA 0.848 56.957 56.100 0.015 0.000 0.757 172 R CB -3.162 27.208 30.300 0.118 0.000 1.218 172 R HN 0.528 nan 8.270 nan 0.000 0.454 173 S N 0.627 116.293 115.700 -0.058 0.000 2.554 173 S HA 0.081 4.552 4.470 0.001 0.000 0.290 173 S C 1.151 175.692 174.600 -0.098 0.000 1.309 173 S CA -0.042 58.096 58.200 -0.104 0.000 1.047 173 S CB 0.755 63.971 63.200 0.027 0.000 0.828 173 S HN 0.247 nan 8.310 nan 0.000 0.509 174 L N 2.776 123.886 121.223 -0.189 0.000 2.275 174 L HA 0.509 4.849 4.340 0.001 0.000 0.288 174 L C -0.603 176.262 176.870 -0.008 0.000 1.046 174 L CA -0.745 54.055 54.840 -0.067 0.000 0.805 174 L CB 0.959 42.947 42.059 -0.118 0.000 1.193 174 L HN 0.312 nan 8.230 nan 0.000 0.426 175 V N 4.251 124.210 119.914 0.075 0.000 2.448 175 V HA 0.451 4.571 4.120 0.001 0.000 0.295 175 V C -0.150 175.979 176.094 0.059 0.000 1.025 175 V CA -0.624 61.724 62.300 0.079 0.000 0.859 175 V CB 2.303 34.175 31.823 0.082 0.000 0.988 175 V HN 0.439 nan 8.190 nan 0.000 0.431 176 V N 7.071 126.990 119.914 0.008 0.000 2.409 176 V HA 0.402 4.522 4.120 0.001 0.000 0.290 176 V C -2.283 173.729 176.094 -0.137 0.000 1.017 176 V CA -1.773 60.443 62.300 -0.140 0.000 0.841 176 V CB 2.272 33.784 31.823 -0.517 0.000 1.003 176 V HN 0.734 nan 8.190 nan 0.000 0.426 177 P HA 0.441 nan 4.420 nan 0.000 0.271 177 P C -0.579 176.550 177.300 -0.285 0.000 1.216 177 P CA 0.270 63.237 63.100 -0.221 0.000 0.771 177 P CB 1.709 33.322 31.700 -0.144 0.000 0.864 178 A N 3.232 125.719 122.820 -0.555 0.000 2.581 178 A HA 0.820 5.140 4.320 0.001 0.000 0.290 178 A C -1.778 175.432 177.584 -0.623 0.000 1.119 178 A CA -0.605 51.066 52.037 -0.610 0.000 0.670 178 A CB 1.291 19.775 19.000 -0.859 0.000 1.280 178 A HN 0.640 nan 8.150 nan 0.000 0.425 179 Y N -2.765 117.372 120.300 -0.270 0.000 2.609 179 Y HA 0.882 5.433 4.550 0.001 0.000 0.336 179 Y C -0.604 175.422 175.900 0.210 0.000 1.129 179 Y CA -0.817 57.293 58.100 0.016 0.000 1.040 179 Y CB 1.029 39.424 38.460 -0.108 0.000 1.310 179 Y HN 1.755 nan 8.280 nan 0.000 0.460 180 A N 1.102 123.987 122.820 0.108 0.000 2.572 180 A HA 0.677 4.997 4.320 0.001 0.000 0.295 180 A C -2.530 174.830 177.584 -0.374 0.000 1.072 180 A CA -0.907 50.984 52.037 -0.242 0.000 0.691 180 A CB 0.939 19.384 19.000 -0.924 0.000 1.291 180 A HN 0.741 nan 8.150 nan 0.000 0.404 181 Y N 2.400 122.629 120.300 -0.119 0.000 2.595 181 Y HA 0.370 4.920 4.550 0.001 0.000 0.347 181 Y C 1.334 177.131 175.900 -0.172 0.000 1.025 181 Y CA -0.030 58.017 58.100 -0.090 0.000 1.295 181 Y CB 0.568 39.035 38.460 0.012 0.000 1.147 181 Y HN 0.678 nan 8.280 nan 0.000 0.515 182 R N 2.234 122.603 120.500 -0.218 0.000 2.500 182 R HA 0.537 4.877 4.340 0.001 0.000 0.277 182 R C -0.896 175.376 176.300 -0.047 0.000 1.026 182 R CA -0.971 55.013 56.100 -0.194 0.000 1.058 182 R CB 1.352 31.357 30.300 -0.492 0.000 1.078 182 R HN 0.401 nan 8.270 nan 0.000 0.509 183 K N 2.007 122.425 120.400 0.031 0.000 2.098 183 K HA 0.501 4.822 4.320 0.001 0.000 0.261 183 K C -0.285 176.320 176.600 0.007 0.000 0.987 183 K CA -0.581 55.725 56.287 0.031 0.000 0.916 183 K CB 1.076 33.611 32.500 0.058 0.000 1.039 183 K HN 0.426 nan 8.250 nan 0.000 0.455 190 P HA -0.070 nan 4.420 nan 0.000 0.247 190 P C -0.307 177.080 177.300 0.145 0.000 1.115 190 P CA 0.682 63.839 63.100 0.094 0.000 0.799 190 P CB 0.208 31.951 31.700 0.073 0.000 0.721 191 I N 6.510 127.134 120.570 0.089 0.000 2.406 191 I HA 0.321 4.491 4.170 0.001 0.000 0.290 191 I C -2.180 173.883 176.117 -0.089 0.000 0.999 191 I CA -3.105 58.217 61.300 0.035 0.000 1.124 191 I CB 2.006 39.983 38.000 -0.039 0.000 1.289 191 I HN 0.122 nan 8.210 nan 0.000 0.441 192 P HA 0.359 nan 4.420 nan 0.000 0.284 192 P C -0.744 176.385 177.300 -0.286 0.000 1.253 192 P CA -0.334 62.488 63.100 -0.463 0.000 0.800 192 P CB 1.801 33.035 31.700 -0.776 0.000 0.961 193 S N 0.537 116.094 115.700 -0.238 0.000 2.546 193 S HA 0.665 5.135 4.470 0.001 0.000 0.274 193 S C -0.672 174.067 174.600 0.231 0.000 1.121 193 S CA -0.520 57.635 58.200 -0.075 0.000 0.887 193 S CB 1.731 64.774 63.200 -0.262 0.000 1.094 193 S HN 0.627 nan 8.310 nan 0.000 0.474 194 A N 1.946 124.867 122.820 0.169 0.000 2.304 194 A HA 0.950 5.271 4.320 0.001 0.000 0.301 194 A C -0.531 177.155 177.584 0.170 0.000 1.132 194 A CA -0.372 51.724 52.037 0.099 0.000 0.819 194 A CB -0.072 18.857 19.000 -0.118 0.000 1.094 194 A HN 1.063 nan 8.150 nan 0.000 0.492 195 F N -1.073 118.764 119.950 -0.188 0.000 3.169 195 F HA 0.701 5.228 4.527 0.001 0.000 0.325 195 F C -1.206 174.427 175.800 -0.278 0.000 1.175 195 F CA -1.396 56.422 58.000 -0.303 0.000 0.887 195 F CB 0.512 39.163 39.000 -0.581 0.000 1.457 195 F HN 0.572 nan 8.300 nan 0.000 0.496 196 C N 0.782 119.972 119.300 -0.182 0.000 2.797 196 C HA 0.702 5.163 4.460 0.001 0.000 0.306 196 C C -1.316 173.605 174.990 -0.115 0.000 1.207 196 C CA -0.672 58.209 59.018 -0.227 0.000 1.507 196 C CB 1.403 29.177 27.740 0.057 0.000 2.028 196 C HN 0.605 nan 8.230 nan 0.000 0.475 197 F N 3.527 123.473 119.950 -0.007 0.000 2.405 197 F HA 0.612 5.139 4.527 0.001 0.000 0.355 197 F C 0.032 175.916 175.800 0.139 0.000 1.121 197 F CA -0.506 57.556 58.000 0.104 0.000 1.112 197 F CB 0.805 39.786 39.000 -0.032 0.000 1.126 197 F HN 0.103 nan 8.300 nan 0.000 0.481 198 L N 2.421 123.789 121.223 0.242 0.000 2.334 198 L HA 0.533 4.873 4.340 0.001 0.000 0.276 198 L C -0.073 176.606 176.870 -0.318 0.000 1.014 198 L CA -0.664 54.143 54.840 -0.056 0.000 0.815 198 L CB 1.416 43.344 42.059 -0.218 0.000 1.268 198 L HN 0.502 nan 8.230 nan 0.000 0.428 199 S N 0.897 116.190 115.700 -0.678 0.000 2.647 199 S HA 0.464 4.934 4.470 0.001 0.000 0.300 199 S C 0.088 174.227 174.600 -0.768 0.000 1.129 199 S CA -0.440 57.177 58.200 -0.971 0.000 1.029 199 S CB 0.467 62.611 63.200 -1.759 0.000 1.007 199 S HN 0.615 nan 8.310 nan 0.000 0.484 200 H N 2.924 121.785 119.070 -0.348 0.000 2.549 200 H HA 0.200 4.756 4.556 0.001 0.000 0.279 200 H C -0.246 174.902 175.328 -0.300 0.000 1.018 200 H CA 0.210 56.092 56.048 -0.278 0.000 1.175 200 H CB 0.375 30.030 29.762 -0.178 0.000 1.485 200 H HN 0.677 nan 8.280 nan 0.000 0.543 201 D N -1.186 119.063 120.400 -0.251 0.000 2.623 201 D HA 0.033 4.673 4.640 0.001 0.000 0.252 201 D C -0.169 176.088 176.300 -0.071 0.000 1.294 201 D CA -0.525 53.390 54.000 -0.141 0.000 0.824 201 D CB -0.323 40.435 40.800 -0.069 0.000 1.070 201 D HN 0.082 nan 8.370 nan 0.000 0.487 202 H N 0.076 119.078 119.070 -0.114 0.000 2.882 202 H HA -0.099 4.457 4.556 0.001 0.000 0.314 202 H C 1.471 176.826 175.328 0.046 0.000 1.270 202 H CA 0.866 56.906 56.048 -0.012 0.000 1.165 202 H CB -1.506 28.299 29.762 0.072 0.000 1.436 202 H HN 0.638 nan 8.280 nan 0.000 0.431 203 G N -0.344 108.291 108.800 -0.276 0.000 2.205 203 G HA2 -0.468 3.492 3.960 0.001 0.000 0.261 203 G HA3 -0.468 3.492 3.960 0.001 0.000 0.261 203 G C 1.235 176.100 174.900 -0.059 0.000 0.980 203 G CA 1.277 46.236 45.100 -0.234 0.000 0.632 203 G HN 0.587 nan 8.290 nan 0.000 0.533 204 R N 1.590 122.050 120.500 -0.067 0.000 2.094 204 R HA 0.035 4.376 4.340 0.001 0.000 0.239 204 R C 1.711 177.977 176.300 -0.057 0.000 1.137 204 R CA 2.854 58.956 56.100 0.003 0.000 0.943 204 R CB -0.668 29.632 30.300 -0.001 0.000 0.850 204 R HN 0.994 nan 8.270 nan 0.000 0.433 205 T N -3.814 110.585 114.554 -0.259 0.000 2.906 205 T HA 0.560 4.910 4.350 0.001 0.000 0.295 205 T C -1.385 173.021 174.700 -0.489 0.000 1.075 205 T CA -0.883 61.104 62.100 -0.189 0.000 1.005 205 T CB 1.187 70.012 68.868 -0.072 0.000 1.136 205 T HN 0.245 nan 8.240 nan 0.000 0.498 206 W N 1.294 122.583 121.300 -0.017 0.000 2.475 206 W HA 0.742 5.402 4.660 0.000 0.000 0.320 206 W C 0.187 176.713 176.519 0.011 0.000 1.022 206 W CA -0.766 56.564 57.345 -0.024 0.000 1.240 206 W CB 1.720 31.151 29.460 -0.049 0.000 1.328 206 W HN 1.112 nan 8.180 nan 0.000 0.439 207 A N 3.155 126.079 122.820 0.174 0.000 2.247 207 A HA 0.875 5.195 4.320 0.001 0.000 0.313 207 A C -0.572 177.137 177.584 0.208 0.000 1.109 207 A CA -0.841 51.270 52.037 0.123 0.000 0.890 207 A CB 1.125 20.145 19.000 0.033 0.000 1.239 207 A HN 0.611 nan 8.150 nan 0.000 0.506 208 R N 0.128 120.666 120.500 0.064 0.000 2.473 208 R HA 0.422 4.763 4.340 0.001 0.000 0.303 208 R C 0.139 176.305 176.300 -0.224 0.000 1.002 208 R CA 0.037 56.115 56.100 -0.037 0.000 0.884 208 R CB 1.051 31.298 30.300 -0.088 0.000 1.173 208 R HN 1.021 nan 8.270 nan 0.000 0.464 209 G N 2.201 110.897 108.800 -0.174 0.000 2.683 209 G HA2 0.066 4.027 3.960 0.001 0.000 0.260 209 G HA3 0.066 4.027 3.960 0.001 0.000 0.260 209 G C -0.170 174.488 174.900 -0.405 0.000 1.238 209 G CA -0.382 44.567 45.100 -0.251 0.000 0.934 209 G HN 0.620 nan 8.290 nan 0.000 0.534 210 H N -1.005 118.033 119.070 -0.053 0.000 2.546 210 H HA 0.294 4.850 4.556 0.001 0.000 0.365 210 H C -0.134 175.152 175.328 -0.071 0.000 1.220 210 H CA -0.234 55.753 56.048 -0.101 0.000 1.386 210 H CB 0.770 30.550 29.762 0.031 0.000 1.510 210 H HN 0.211 nan 8.280 nan 0.000 0.591 211 F N 0.073 120.134 119.950 0.185 0.000 2.399 211 F HA 0.133 4.661 4.527 0.000 0.000 0.313 211 F C 1.170 177.032 175.800 0.104 0.000 1.202 211 F CA -0.372 57.690 58.000 0.103 0.000 1.192 211 F CB 0.457 39.459 39.000 0.003 0.000 1.256 211 F HN 0.271 nan 8.300 nan 0.000 0.558 212 V N -0.236 119.841 119.914 0.272 0.000 3.438 212 V HA 0.872 4.992 4.120 0.001 0.000 0.298 212 V C 0.260 176.406 176.094 0.085 0.000 1.148 212 V CA -1.083 61.295 62.300 0.131 0.000 0.994 212 V CB 0.570 32.392 31.823 -0.001 0.000 1.236 212 V HN 0.943 nan 8.190 nan 0.000 0.455 213 A N 0.174 123.015 122.820 0.034 0.000 2.448 213 A HA 0.375 4.695 4.320 0.001 0.000 0.239 213 A C 0.566 178.131 177.584 -0.032 0.000 1.080 213 A CA -0.249 51.789 52.037 0.002 0.000 0.779 213 A CB -0.403 18.591 19.000 -0.010 0.000 1.026 213 A HN 0.935 nan 8.150 nan 0.000 0.499 214 Q N 0.307 120.080 119.800 -0.045 0.000 2.560 214 Q HA -0.063 4.277 4.340 0.001 0.000 0.303 214 Q C -0.289 175.663 176.000 -0.079 0.000 1.230 214 Q CA 1.163 56.927 55.803 -0.064 0.000 1.023 214 Q CB -0.357 28.358 28.738 -0.039 0.000 1.317 214 Q HN 0.774 nan 8.270 nan 0.000 0.482 215 D N 0.116 120.473 120.400 -0.072 0.000 3.284 215 D HA -0.143 4.497 4.640 0.001 0.000 0.205 215 D C -0.953 175.266 176.300 -0.135 0.000 1.175 215 D CA 1.355 55.312 54.000 -0.072 0.000 0.970 215 D CB -0.782 40.009 40.800 -0.016 0.000 0.803 215 D HN 0.582 nan 8.370 nan 0.000 0.386 216 T N -0.556 113.903 114.554 -0.157 0.000 3.172 216 T HA 0.613 4.963 4.350 0.001 0.000 0.320 216 T C 0.198 174.732 174.700 -0.276 0.000 1.085 216 T CA -1.033 60.955 62.100 -0.187 0.000 1.052 216 T CB 1.379 70.160 68.868 -0.144 0.000 1.107 216 T HN 0.133 nan 8.240 nan 0.000 0.458 217 L N 0.770 121.749 121.223 -0.406 0.000 2.674 217 L HA 0.546 4.886 4.340 0.001 0.000 0.182 217 L C 0.839 177.205 176.870 -0.841 0.000 1.867 217 L CA -1.407 52.895 54.840 -0.896 0.000 2.994 217 L CB -0.081 41.532 42.059 -0.743 0.000 2.945 217 L HN 0.636 nan 8.230 nan 0.000 0.729 218 E N 0.146 119.858 120.200 -0.814 0.000 2.467 218 E HA 0.112 4.462 4.350 0.001 0.000 0.264 218 E C -0.735 175.773 176.600 -0.153 0.000 1.020 218 E CA 0.134 56.400 56.400 -0.223 0.000 0.945 218 E CB 0.343 29.987 29.700 -0.093 0.000 0.942 218 E HN 0.512 nan 8.360 nan 0.000 0.449 219 C N 0.490 119.748 119.300 -0.071 0.000 3.321 219 C HA 0.546 5.007 4.460 0.001 0.000 0.329 219 C C -1.394 173.549 174.990 -0.078 0.000 1.394 219 C CA -0.936 58.024 59.018 -0.098 0.000 1.291 219 C CB 1.284 28.933 27.740 -0.152 0.000 1.606 219 C HN 0.769 nan 8.230 nan 0.000 0.463 220 Q N 0.658 120.419 119.800 -0.066 0.000 2.421 220 Q HA 0.745 5.085 4.340 0.001 0.000 0.280 220 Q C -0.902 175.085 176.000 -0.021 0.000 1.085 220 Q CA -0.739 55.025 55.803 -0.065 0.000 0.807 220 Q CB 2.731 31.447 28.738 -0.038 0.000 1.405 220 Q HN 1.072 nan 8.270 nan 0.000 0.419 221 V N -2.066 117.849 119.914 0.002 0.000 2.715 221 V HA 1.031 5.151 4.120 0.001 0.000 0.310 221 V C -0.743 175.447 176.094 0.159 0.000 1.054 221 V CA -0.708 61.645 62.300 0.089 0.000 0.928 221 V CB 1.412 33.306 31.823 0.119 0.000 1.007 221 V HN 0.881 nan 8.190 nan 0.000 0.437 222 A N 2.151 125.083 122.820 0.188 0.000 2.515 222 A HA 0.837 5.158 4.320 0.001 0.000 0.296 222 A C -0.680 177.006 177.584 0.169 0.000 1.094 222 A CA -0.708 51.455 52.037 0.211 0.000 0.718 222 A CB 1.971 21.114 19.000 0.238 0.000 1.307 222 A HN 0.966 nan 8.150 nan 0.000 0.408 223 E N -0.391 119.901 120.200 0.154 0.000 2.232 223 E HA 0.694 5.044 4.350 0.001 0.000 0.264 223 E C -1.737 174.916 176.600 0.089 0.000 0.973 223 E CA -0.616 55.851 56.400 0.112 0.000 0.849 223 E CB 2.096 31.860 29.700 0.105 0.000 1.198 223 E HN 0.789 nan 8.360 nan 0.000 0.407 224 V N 1.749 121.698 119.914 0.059 0.000 3.036 224 V HA 0.224 4.345 4.120 0.001 0.000 0.288 224 V C -1.206 174.901 176.094 0.022 0.000 1.407 224 V CA -0.621 61.701 62.300 0.037 0.000 0.983 224 V CB 1.905 33.742 31.823 0.024 0.000 1.128 224 V HN 0.787 nan 8.190 nan 0.000 0.439 230 R N 2.104 122.600 120.500 -0.007 0.000 2.358 230 R HA 0.537 4.877 4.340 0.001 0.000 0.309 230 R C -0.773 175.521 176.300 -0.010 0.000 1.026 230 R CA -0.225 55.874 56.100 -0.002 0.000 0.909 230 R CB 1.038 31.338 30.300 0.001 0.000 1.153 230 R HN 0.007 nan 8.270 nan 0.000 0.515 231 V N 1.707 121.619 119.914 -0.003 0.000 2.628 231 V HA 0.674 4.795 4.120 0.001 0.000 0.306 231 V C -0.763 175.342 176.094 0.018 0.000 1.045 231 V CA -0.712 61.582 62.300 -0.010 0.000 0.905 231 V CB 2.072 33.892 31.823 -0.005 0.000 0.997 231 V HN 0.346 nan 8.190 nan 0.000 0.436 232 V N 4.037 123.956 119.914 0.007 0.000 2.350 232 V HA 0.457 4.577 4.120 0.001 0.000 0.276 232 V C 0.541 176.754 176.094 0.199 0.000 1.028 232 V CA 0.136 62.489 62.300 0.089 0.000 0.860 232 V CB 1.277 33.140 31.823 0.068 0.000 0.990 232 V HN 1.127 nan 8.190 nan 0.000 0.453 233 T N 6.520 121.192 114.554 0.197 0.000 2.799 233 T HA 0.622 4.973 4.350 0.001 0.000 0.286 233 T C -0.767 174.053 174.700 0.200 0.000 0.973 233 T CA -0.294 61.931 62.100 0.207 0.000 1.035 233 T CB 0.695 69.644 68.868 0.136 0.000 0.932 233 T HN 0.543 nan 8.240 nan 0.000 0.469 234 L N 5.539 126.847 121.223 0.141 0.000 2.329 234 L HA 0.647 4.988 4.340 0.001 0.000 0.279 234 L C -0.566 176.255 176.870 -0.082 0.000 1.014 234 L CA -0.789 54.027 54.840 -0.040 0.000 0.814 234 L CB 1.464 43.307 42.059 -0.359 0.000 1.257 234 L HN 0.562 nan 8.230 nan 0.000 0.424 235 N N 4.013 122.653 118.700 -0.099 0.000 2.483 235 N HA 0.628 5.368 4.740 0.001 0.000 0.267 235 N C -1.489 173.925 175.510 -0.159 0.000 0.998 235 N CA -0.166 52.788 53.050 -0.161 0.000 0.918 235 N CB 1.956 40.323 38.487 -0.200 0.000 1.215 235 N HN 0.757 nan 8.380 nan 0.000 0.500 236 A N 3.021 125.729 122.820 -0.186 0.000 2.380 236 A HA 0.657 4.977 4.320 0.001 0.000 0.315 236 A C -0.131 177.345 177.584 -0.180 0.000 1.101 236 A CA -0.863 51.068 52.037 -0.178 0.000 0.771 236 A CB 1.208 20.092 19.000 -0.194 0.000 1.287 236 A HN 0.753 nan 8.150 nan 0.000 0.436 237 R N 0.404 120.804 120.500 -0.166 0.000 2.490 237 R HA 0.647 4.987 4.340 0.001 0.000 0.278 237 R C -0.106 176.100 176.300 -0.156 0.000 1.069 237 R CA 0.348 56.368 56.100 -0.134 0.000 1.080 237 R CB 0.696 30.942 30.300 -0.090 0.000 1.030 237 R HN 0.811 nan 8.270 nan 0.000 0.491 238 S N -0.377 115.246 115.700 -0.128 0.000 2.732 238 S HA 0.194 4.664 4.470 0.001 0.000 0.293 238 S C 0.101 174.657 174.600 -0.073 0.000 1.159 238 S CA -0.624 57.485 58.200 -0.151 0.000 0.847 238 S CB 1.080 64.144 63.200 -0.226 0.000 1.169 238 S HN 0.956 nan 8.310 nan 0.000 0.501 239 H N -0.218 118.830 119.070 -0.036 0.000 2.539 239 H HA 0.521 5.078 4.556 0.001 0.000 0.269 239 H C 0.323 175.648 175.328 -0.005 0.000 0.980 239 H CA -0.380 55.664 56.048 -0.008 0.000 1.152 239 H CB -0.480 29.283 29.762 0.002 0.000 1.407 239 H HN 0.391 nan 8.280 nan 0.000 0.564 240 L N 0.962 122.048 121.223 -0.228 0.000 2.482 240 L HA 0.257 4.597 4.340 0.001 0.000 0.242 240 L C 1.660 178.512 176.870 -0.031 0.000 1.210 240 L CA -0.729 54.035 54.840 -0.127 0.000 0.819 240 L CB 0.515 42.452 42.059 -0.203 0.000 1.203 240 L HN 0.323 nan 8.230 nan 0.000 0.495 241 R N 0.039 120.530 120.500 -0.015 0.000 2.335 241 R HA 0.385 4.726 4.340 0.001 0.000 0.223 241 R C -0.172 176.110 176.300 -0.029 0.000 0.940 241 R CA 0.231 56.336 56.100 0.007 0.000 1.086 241 R CB -0.240 30.076 30.300 0.027 0.000 1.073 241 R HN 0.568 nan 8.270 nan 0.000 0.504 242 A N 0.964 123.737 122.820 -0.078 0.000 2.588 242 A HA 0.637 4.957 4.320 0.001 0.000 0.290 242 A C -0.923 176.552 177.584 -0.183 0.000 1.136 242 A CA -1.031 50.928 52.037 -0.130 0.000 0.681 242 A CB 1.286 20.215 19.000 -0.119 0.000 1.282 242 A HN 0.086 nan 8.150 nan 0.000 0.421 243 R N -0.250 120.094 120.500 -0.260 0.000 2.560 243 R HA 0.551 4.891 4.340 0.001 0.000 0.270 243 R C -0.842 175.312 176.300 -0.243 0.000 1.074 243 R CA -0.409 55.513 56.100 -0.297 0.000 1.140 243 R CB 0.999 31.021 30.300 -0.462 0.000 1.073 243 R HN 0.424 nan 8.270 nan 0.000 0.527 244 V N 2.110 121.892 119.914 -0.220 0.000 2.435 244 V HA 0.251 4.371 4.120 0.001 0.000 0.290 244 V C 0.042 176.038 176.094 -0.162 0.000 1.030 244 V CA -0.575 61.623 62.300 -0.170 0.000 0.881 244 V CB 1.573 33.304 31.823 -0.154 0.000 0.983 244 V HN 0.575 nan 8.190 nan 0.000 0.445 245 Q N 2.982 122.716 119.800 -0.110 0.000 2.341 245 Q HA 0.739 5.080 4.340 0.001 0.000 0.268 245 Q C -0.721 175.271 176.000 -0.013 0.000 1.013 245 Q CA -0.476 55.288 55.803 -0.064 0.000 0.798 245 Q CB 1.810 30.541 28.738 -0.011 0.000 1.253 245 Q HN 0.915 nan 8.270 nan 0.000 0.457 246 A N 3.813 126.632 122.820 -0.003 0.000 2.337 246 A HA 0.660 4.980 4.320 0.001 0.000 0.331 246 A C -1.092 176.644 177.584 0.253 0.000 1.137 246 A CA -0.631 51.461 52.037 0.091 0.000 0.807 246 A CB 1.373 20.367 19.000 -0.010 0.000 1.250 246 A HN 0.723 nan 8.150 nan 0.000 0.468 247 Q N 0.702 120.683 119.800 0.302 0.000 2.356 247 Q HA 0.548 4.889 4.340 0.001 0.000 0.270 247 Q C -1.009 175.072 176.000 0.134 0.000 1.058 247 Q CA -0.538 55.407 55.803 0.238 0.000 0.802 247 Q CB 1.984 30.782 28.738 0.100 0.000 1.303 247 Q HN 0.603 nan 8.270 nan 0.000 0.444 248 S N 0.569 116.191 115.700 -0.130 0.000 2.454 248 S HA 0.455 4.925 4.470 0.001 0.000 0.306 248 S C 0.310 174.772 174.600 -0.230 0.000 1.100 248 S CA -0.348 57.571 58.200 -0.468 0.000 1.087 248 S CB 0.825 63.275 63.200 -1.251 0.000 1.019 248 S HN 0.590 nan 8.310 nan 0.000 0.480 249 T N 1.374 115.829 114.554 -0.165 0.000 3.054 249 T HA 0.140 4.491 4.350 0.001 0.000 0.255 249 T C 0.630 175.273 174.700 -0.096 0.000 1.035 249 T CA -0.297 61.745 62.100 -0.098 0.000 0.941 249 T CB -0.381 68.451 68.868 -0.058 0.000 1.026 249 T HN 0.670 nan 8.240 nan 0.000 0.533 250 N N 1.148 119.769 118.700 -0.132 0.000 2.416 250 N HA 0.099 4.839 4.740 0.001 0.000 0.267 250 N C -0.669 174.780 175.510 -0.103 0.000 1.294 250 N CA -0.373 52.620 53.050 -0.095 0.000 0.891 250 N CB -0.134 38.312 38.487 -0.067 0.000 1.238 250 N HN 0.061 nan 8.380 nan 0.000 0.508 251 D N -0.102 120.222 120.400 -0.127 0.000 2.907 251 D HA -0.142 4.498 4.640 0.001 0.000 0.226 251 D C 0.902 177.126 176.300 -0.126 0.000 1.141 251 D CA 1.424 55.369 54.000 -0.092 0.000 0.779 251 D CB -1.426 39.370 40.800 -0.006 0.000 1.095 251 D HN 0.718 nan 8.370 nan 0.000 0.430 252 G N -0.613 107.975 108.800 -0.353 0.000 2.195 252 G HA2 -0.388 3.572 3.960 0.001 0.000 0.246 252 G HA3 -0.388 3.572 3.960 0.001 0.000 0.246 252 G C 0.892 175.707 174.900 -0.142 0.000 0.984 252 G CA 0.622 45.496 45.100 -0.376 0.000 0.633 252 G HN 0.455 nan 8.290 nan 0.000 0.525 253 L N 0.796 121.952 121.223 -0.112 0.000 2.093 253 L HA 0.358 4.698 4.340 0.001 0.000 0.208 253 L C 0.344 177.258 176.870 0.074 0.000 1.085 253 L CA 1.963 56.791 54.840 -0.020 0.000 0.755 253 L CB -0.041 42.026 42.059 0.014 0.000 0.904 253 L HN 0.310 nan 8.230 nan 0.000 0.435 254 D N -1.589 118.803 120.400 -0.014 0.000 2.879 254 D HA 0.237 4.877 4.640 0.001 0.000 0.236 254 D C -1.320 174.892 176.300 -0.147 0.000 1.171 254 D CA -0.236 53.810 54.000 0.078 0.000 0.868 254 D CB 1.539 42.387 40.800 0.081 0.000 1.598 254 D HN -0.126 nan 8.370 nan 0.000 0.497 255 F N 2.288 122.280 119.950 0.070 0.000 2.319 255 F HA 0.122 4.649 4.527 0.000 0.000 0.356 255 F C 1.652 177.473 175.800 0.036 0.000 1.100 255 F CA -0.420 57.608 58.000 0.046 0.000 1.220 255 F CB 1.178 40.205 39.000 0.044 0.000 1.506 255 F HN 0.103 nan 8.300 nan 0.000 0.512 256 Q N 0.106 119.960 119.800 0.090 0.000 2.045 256 Q HA -0.169 4.172 4.340 0.001 0.000 0.206 256 Q C 0.671 176.715 176.000 0.073 0.000 0.991 256 Q CA 1.489 57.329 55.803 0.062 0.000 0.851 256 Q CB -0.073 28.676 28.738 0.017 0.000 0.911 256 Q HN 0.502 nan 8.270 nan 0.000 0.418 257 E N 0.003 120.251 120.200 0.080 0.000 2.242 257 E HA 0.409 4.759 4.350 0.001 0.000 0.275 257 E C -1.072 175.579 176.600 0.084 0.000 1.002 257 E CA -0.266 56.173 56.400 0.066 0.000 0.841 257 E CB 1.404 31.132 29.700 0.047 0.000 1.109 257 E HN 0.007 nan 8.360 nan 0.000 0.394 258 S N 3.099 118.828 115.700 0.048 0.000 2.649 258 S HA 0.172 4.642 4.470 0.001 0.000 0.274 258 S C -1.449 173.152 174.600 0.002 0.000 1.176 258 S CA -0.816 57.401 58.200 0.029 0.000 0.988 258 S CB 0.870 64.085 63.200 0.025 0.000 1.071 258 S HN 0.484 nan 8.310 nan 0.000 0.478 259 Q N 4.380 124.174 119.800 -0.009 0.000 2.451 259 Q HA 0.562 4.902 4.340 0.001 0.000 0.281 259 Q C -1.377 174.595 176.000 -0.047 0.000 1.099 259 Q CA -0.996 54.795 55.803 -0.021 0.000 0.806 259 Q CB 1.757 30.491 28.738 -0.006 0.000 1.419 259 Q HN 0.653 nan 8.270 nan 0.000 0.427 260 L N 1.449 122.640 121.223 -0.053 0.000 2.312 260 L HA 0.403 4.744 4.340 0.001 0.000 0.281 260 L C -0.837 175.991 176.870 -0.070 0.000 1.070 260 L CA -0.874 53.919 54.840 -0.078 0.000 0.805 260 L CB 1.513 43.527 42.059 -0.074 0.000 1.174 260 L HN 0.501 nan 8.230 nan 0.000 0.434 261 V N 5.504 125.352 119.914 -0.109 0.000 2.259 261 V HA 0.151 4.272 4.120 0.001 0.000 0.267 261 V C 0.855 176.880 176.094 -0.115 0.000 1.051 261 V CA -0.579 61.660 62.300 -0.101 0.000 0.830 261 V CB 0.687 32.410 31.823 -0.167 0.000 1.080 261 V HN 0.799 nan 8.190 nan 0.000 0.467 262 K N 2.473 122.838 120.400 -0.058 0.000 2.059 262 K HA -0.231 4.090 4.320 0.001 0.000 0.212 262 K C 1.800 178.378 176.600 -0.037 0.000 1.050 262 K CA 1.693 57.956 56.287 -0.041 0.000 0.927 262 K CB -0.081 32.413 32.500 -0.011 0.000 0.714 262 K HN 0.464 nan 8.250 nan 0.000 0.447 263 K N 0.696 121.087 120.400 -0.015 0.000 2.211 263 K HA -0.070 4.250 4.320 0.001 0.000 0.204 263 K C 0.410 176.993 176.600 -0.029 0.000 1.047 263 K CA 0.687 56.992 56.287 0.030 0.000 0.935 263 K CB -0.115 32.449 32.500 0.107 0.000 0.728 263 K HN 0.156 nan 8.250 nan 0.000 0.452 264 L N 2.359 123.450 121.223 -0.219 0.000 2.328 264 L HA 0.161 4.501 4.340 0.001 0.000 0.280 264 L C 0.059 176.765 176.870 -0.273 0.000 1.111 264 L CA -0.584 54.013 54.840 -0.405 0.000 0.909 264 L CB 0.717 42.341 42.059 -0.726 0.000 1.277 264 L HN -0.099 nan 8.230 nan 0.000 0.433 265 V N 3.640 123.477 119.914 -0.127 0.000 3.096 265 V HA 0.142 4.262 4.120 0.001 0.000 0.306 265 V C 0.220 176.258 176.094 -0.094 0.000 1.088 265 V CA 0.159 62.427 62.300 -0.054 0.000 1.129 265 V CB 1.345 33.200 31.823 0.052 0.000 1.014 265 V HN 0.667 nan 8.190 nan 0.000 0.486 266 E N 5.688 125.892 120.200 0.006 0.000 2.265 266 E HA 0.390 4.740 4.350 0.001 0.000 0.262 266 E C -2.681 174.002 176.600 0.139 0.000 0.889 266 E CA -1.716 54.736 56.400 0.087 0.000 0.789 266 E CB 2.064 31.764 29.700 0.000 0.000 1.221 266 E HN 0.604 nan 8.360 nan 0.000 0.414 267 P HA 0.006 nan 4.420 nan 0.000 0.264 267 P C -2.121 175.267 177.300 0.146 0.000 1.183 267 P CA -0.818 62.377 63.100 0.158 0.000 0.763 267 P CB 0.508 32.284 31.700 0.127 0.000 0.807 268 P HA -0.270 nan 4.420 nan 0.000 0.221 268 P C -1.015 176.356 177.300 0.119 0.000 1.107 268 P CA 2.730 65.917 63.100 0.144 0.000 0.986 268 P CB -1.932 29.872 31.700 0.174 0.000 0.774 269 P HA -0.203 nan 4.420 nan 0.000 0.228 269 P C 1.161 178.519 177.300 0.097 0.000 0.821 269 P CA 1.574 64.731 63.100 0.096 0.000 1.093 269 P CB -0.241 31.520 31.700 0.101 0.000 0.688 270 Q N -1.104 118.759 119.800 0.105 0.000 2.023 270 Q HA 0.323 4.663 4.340 0.001 0.000 0.221 270 Q C 0.330 176.391 176.000 0.102 0.000 0.806 270 Q CA 0.524 56.394 55.803 0.111 0.000 1.052 270 Q CB 0.921 29.720 28.738 0.102 0.000 1.229 270 Q HN 0.516 nan 8.270 nan 0.000 0.440 271 G N 0.564 109.430 108.800 0.110 0.000 2.698 271 G HA2 -0.224 3.737 3.960 0.001 0.000 0.225 271 G HA3 -0.224 3.737 3.960 0.001 0.000 0.225 271 G C -0.826 174.152 174.900 0.130 0.000 1.345 271 G CA -0.335 44.835 45.100 0.117 0.000 0.871 271 G HN 0.374 nan 8.290 nan 0.000 0.540 272 C N -0.202 119.181 119.300 0.138 0.000 2.880 272 C HA 0.683 5.144 4.460 0.001 0.000 0.320 272 C C 0.377 175.318 174.990 -0.081 0.000 1.176 272 C CA -0.116 58.938 59.018 0.059 0.000 1.390 272 C CB 1.266 28.986 27.740 -0.034 0.000 1.846 272 C HN 1.151 nan 8.230 nan 0.000 0.478 273 Q N 2.399 121.924 119.800 -0.458 0.000 2.428 273 Q HA 0.442 4.782 4.340 0.001 0.000 0.276 273 Q C 0.125 175.957 176.000 -0.281 0.000 1.059 273 Q CA 1.153 56.615 55.803 -0.568 0.000 0.923 273 Q CB 1.122 29.066 28.738 -1.323 0.000 1.283 273 Q HN 1.055 nan 8.270 nan 0.000 0.447 274 G N 0.636 109.409 108.800 -0.046 0.000 2.798 274 G HA2 0.513 4.474 3.960 0.001 0.000 0.286 274 G HA3 0.513 4.474 3.960 0.001 0.000 0.286 274 G C -1.654 173.317 174.900 0.119 0.000 1.389 274 G CA -0.366 44.802 45.100 0.113 0.000 0.894 274 G HN 0.534 nan 8.290 nan 0.000 0.488 275 S N -1.473 114.321 115.700 0.156 0.000 2.547 275 S HA 0.651 5.121 4.470 0.001 0.000 0.281 275 S C -1.555 173.270 174.600 0.375 0.000 1.118 275 S CA -0.592 57.762 58.200 0.257 0.000 0.947 275 S CB 1.673 65.025 63.200 0.253 0.000 1.053 275 S HN 1.370 nan 8.310 nan 0.000 0.482 276 V N 7.151 127.313 119.914 0.413 0.000 2.686 276 V HA 0.791 4.911 4.120 0.001 0.000 0.306 276 V C -0.850 175.517 176.094 0.455 0.000 1.065 276 V CA -0.739 61.818 62.300 0.429 0.000 0.894 276 V CB 1.410 33.439 31.823 0.343 0.000 1.004 276 V HN 0.907 nan 8.190 nan 0.000 0.424 277 I N 3.076 123.899 120.570 0.421 0.000 3.145 277 I HA 0.837 5.007 4.170 0.001 0.000 0.313 277 I C -0.629 175.735 176.117 0.412 0.000 1.122 277 I CA -0.567 60.974 61.300 0.401 0.000 0.987 277 I CB 2.311 40.493 38.000 0.303 0.000 1.236 277 I HN 0.590 nan 8.210 nan 0.000 0.453 278 S N 2.180 118.101 115.700 0.368 0.000 2.568 278 S HA 0.886 5.356 4.470 0.001 0.000 0.302 278 S C -0.914 173.919 174.600 0.387 0.000 1.082 278 S CA -0.482 57.897 58.200 0.298 0.000 1.009 278 S CB 1.223 64.539 63.200 0.193 0.000 1.069 278 S HN 0.667 nan 8.310 nan 0.000 0.500 279 F N 0.651 120.737 119.950 0.225 0.000 2.686 279 F HA 0.732 5.260 4.527 0.001 0.000 0.311 279 F C -3.278 172.576 175.800 0.090 0.000 1.128 279 F CA -2.580 55.522 58.000 0.170 0.000 0.946 279 F CB 0.245 39.395 39.000 0.250 0.000 1.336 279 F HN 0.287 nan 8.300 nan 0.000 0.457 280 P HA 0.058 nan 4.420 nan 0.000 0.261 280 P C -0.273 176.906 177.300 -0.201 0.000 1.203 280 P CA 0.402 63.494 63.100 -0.013 0.000 0.767 280 P CB 0.736 32.470 31.700 0.057 0.000 0.785 281 S N 5.024 120.462 115.700 -0.438 0.000 2.560 281 S HA 0.115 4.586 4.470 0.001 0.000 0.284 281 S C -1.177 173.070 174.600 -0.588 0.000 1.327 281 S CA -0.951 56.725 58.200 -0.874 0.000 1.055 281 S CB -0.030 62.776 63.200 -0.657 0.000 0.868 281 S HN 0.269 nan 8.310 nan 0.000 0.506 282 P HA 0.055 nan 4.420 nan 0.000 0.219 282 P C 0.138 177.300 177.300 -0.230 0.000 1.150 282 P CA 0.745 63.641 63.100 -0.339 0.000 0.814 282 P CB 0.234 31.757 31.700 -0.295 0.000 0.787 290 A N 1.253 124.078 122.820 0.008 0.000 1.930 290 A HA -0.028 4.293 4.320 0.001 0.000 0.217 290 A C 0.862 178.412 177.584 -0.056 0.000 1.175 290 A CA 1.619 53.645 52.037 -0.019 0.000 0.627 290 A CB -0.276 18.719 19.000 -0.008 0.000 0.815 290 A HN 0.646 nan 8.150 nan 0.000 0.443 291 Q N -3.230 116.552 119.800 -0.030 0.000 2.418 291 Q HA 0.589 4.929 4.340 0.001 0.000 0.276 291 Q C -1.217 174.796 176.000 0.022 0.000 1.081 291 Q CA -0.397 55.351 55.803 -0.092 0.000 0.864 291 Q CB 1.113 29.820 28.738 -0.052 0.000 1.384 291 Q HN 0.526 nan 8.270 nan 0.000 0.467 292 W N 0.196 121.151 121.300 -0.575 0.000 2.902 292 W HA 0.680 5.338 4.660 -0.002 0.000 0.346 292 W C -1.226 174.986 176.519 -0.512 0.000 1.139 292 W CA -0.738 56.240 57.345 -0.612 0.000 1.139 292 W CB 0.905 29.863 29.460 -0.838 0.000 1.439 292 W HN 0.407 nan 8.180 nan 0.000 0.558 293 L N 2.759 123.968 121.223 -0.025 0.000 2.342 293 L HA 0.625 4.966 4.340 0.001 0.000 0.271 293 L C -0.949 176.188 176.870 0.445 0.000 1.008 293 L CA -1.261 53.700 54.840 0.202 0.000 0.818 293 L CB 1.667 43.802 42.059 0.126 0.000 1.296 293 L HN 0.104 nan 8.230 nan 0.000 0.427 294 L N 2.511 124.076 121.223 0.571 0.000 2.362 294 L HA 0.587 4.928 4.340 0.001 0.000 0.271 294 L C -1.509 175.673 176.870 0.520 0.000 1.002 294 L CA -0.347 54.777 54.840 0.473 0.000 0.818 294 L CB 1.812 43.954 42.059 0.138 0.000 1.298 294 L HN 0.449 nan 8.230 nan 0.000 0.420 295 Y N 2.748 123.234 120.300 0.310 0.000 2.396 295 Y HA 0.638 5.189 4.550 0.001 0.000 0.332 295 Y C -0.939 175.077 175.900 0.193 0.000 1.034 295 Y CA -0.646 57.538 58.100 0.139 0.000 1.057 295 Y CB 1.715 40.034 38.460 -0.234 0.000 1.220 295 Y HN 0.748 nan 8.280 nan 0.000 0.440 296 T N 3.822 118.177 114.554 -0.332 0.000 2.859 296 T HA 0.603 4.953 4.350 0.001 0.000 0.281 296 T C -1.250 173.121 174.700 -0.548 0.000 1.005 296 T CA -0.448 61.468 62.100 -0.307 0.000 1.025 296 T CB 1.716 70.540 68.868 -0.073 0.000 0.977 296 T HN 0.878 nan 8.240 nan 0.000 0.458 297 H N 1.349 120.147 119.070 -0.453 0.000 3.081 297 H HA 0.285 4.842 4.556 0.001 0.000 0.322 297 H C -3.365 171.888 175.328 -0.126 0.000 1.266 297 H CA -1.191 54.650 56.048 -0.345 0.000 1.279 297 H CB 1.946 31.375 29.762 -0.554 0.000 1.954 297 H HN 0.402 nan 8.280 nan 0.000 0.530 298 P HA 0.035 nan 4.420 nan 0.000 0.268 298 P C 0.660 178.033 177.300 0.123 0.000 1.204 298 P CA 0.557 63.571 63.100 -0.143 0.000 0.768 298 P CB 0.786 32.355 31.700 -0.217 0.000 0.842 299 T N -1.285 113.315 114.554 0.076 0.000 3.014 299 T HA -0.011 4.339 4.350 0.001 0.000 0.250 299 T C 0.840 175.565 174.700 0.042 0.000 1.060 299 T CA 0.217 62.384 62.100 0.112 0.000 1.040 299 T CB -0.555 68.314 68.868 0.002 0.000 0.971 299 T HN 0.369 nan 8.240 nan 0.000 0.497 300 H N 1.978 120.988 119.070 -0.101 0.000 3.038 300 H HA 0.142 4.699 4.556 0.001 0.000 0.338 300 H C 1.452 176.677 175.328 -0.171 0.000 1.041 300 H CA 0.782 56.705 56.048 -0.208 0.000 1.394 300 H CB 1.306 30.884 29.762 -0.306 0.000 1.357 300 H HN 0.258 nan 8.280 nan 0.000 0.600 301 S N 3.349 118.878 115.700 -0.286 0.000 2.368 301 S HA -0.168 4.303 4.470 0.001 0.000 0.224 301 S C 1.454 176.211 174.600 0.261 0.000 1.029 301 S CA 1.462 59.666 58.200 0.006 0.000 0.988 301 S CB -0.127 63.084 63.200 0.018 0.000 0.838 301 S HN 0.816 nan 8.310 nan 0.000 0.462 302 W N 1.695 123.225 121.300 0.383 0.000 2.714 302 W HA 0.466 5.126 4.660 0.001 0.000 0.353 302 W C 0.002 176.581 176.519 0.100 0.000 0.999 302 W CA -0.492 56.971 57.345 0.197 0.000 1.629 302 W CB -0.382 29.164 29.460 0.144 0.000 1.106 302 W HN 0.229 nan 8.180 nan 0.000 0.545 303 Q N 0.237 119.920 119.800 -0.196 0.000 2.501 303 Q HA 0.515 4.856 4.340 0.001 0.000 0.288 303 Q C -0.537 175.329 176.000 -0.225 0.000 1.051 303 Q CA -1.197 54.450 55.803 -0.260 0.000 0.788 303 Q CB 1.309 29.749 28.738 -0.497 0.000 1.469 303 Q HN 0.095 nan 8.270 nan 0.000 0.416 304 R N 0.534 120.947 120.500 -0.144 0.000 2.609 304 R HA 0.556 4.896 4.340 0.001 0.000 0.271 304 R C -0.881 175.316 176.300 -0.171 0.000 1.403 304 R CA 0.285 56.317 56.100 -0.113 0.000 1.138 304 R CB 0.045 30.320 30.300 -0.043 0.000 1.142 304 R HN 0.583 nan 8.270 nan 0.000 0.559 305 A N 1.532 124.252 122.820 -0.166 0.000 2.599 305 A HA 0.429 4.749 4.320 0.001 0.000 0.290 305 A C -1.248 176.289 177.584 -0.078 0.000 1.101 305 A CA -0.916 51.031 52.037 -0.150 0.000 0.674 305 A CB 1.165 20.019 19.000 -0.243 0.000 1.277 305 A HN 0.562 nan 8.150 nan 0.000 0.419 306 D N -0.460 119.886 120.400 -0.090 0.000 2.990 306 D HA -0.129 4.512 4.640 0.001 0.000 0.245 306 D C -0.346 175.867 176.300 -0.146 0.000 1.120 306 D CA 1.023 54.960 54.000 -0.105 0.000 0.838 306 D CB -1.232 39.525 40.800 -0.072 0.000 1.000 306 D HN 0.830 nan 8.370 nan 0.000 0.420 307 L N 0.572 121.664 121.223 -0.218 0.000 2.559 307 L HA 0.405 4.745 4.340 0.001 0.000 0.274 307 L C 1.008 177.724 176.870 -0.257 0.000 1.205 307 L CA 0.954 55.629 54.840 -0.275 0.000 0.907 307 L CB 0.620 42.377 42.059 -0.502 0.000 1.153 307 L HN 0.294 nan 8.230 nan 0.000 0.490 308 G N 3.638 112.325 108.800 -0.187 0.000 2.537 308 G HA2 0.784 4.745 3.960 0.001 0.000 0.308 308 G HA3 0.784 4.745 3.960 0.001 0.000 0.308 308 G C -1.649 173.142 174.900 -0.182 0.000 1.237 308 G CA -0.333 44.618 45.100 -0.249 0.000 0.968 308 G HN 0.981 nan 8.290 nan 0.000 0.481 309 A N 0.159 122.843 122.820 -0.225 0.000 2.331 309 A HA 0.784 5.105 4.320 0.001 0.000 0.320 309 A C -1.573 176.122 177.584 0.184 0.000 1.138 309 A CA -0.559 51.493 52.037 0.026 0.000 0.790 309 A CB 0.842 19.826 19.000 -0.025 0.000 1.206 309 A HN 0.569 nan 8.150 nan 0.000 0.470 310 Y N 1.317 121.788 120.300 0.285 0.000 2.429 310 Y HA 0.607 5.157 4.550 -0.000 0.000 0.342 310 Y C -0.068 176.110 175.900 0.464 0.000 1.004 310 Y CA -1.081 57.266 58.100 0.411 0.000 1.075 310 Y CB 1.850 40.478 38.460 0.281 0.000 1.214 310 Y HN 0.574 nan 8.280 nan 0.000 0.455 311 L N 3.790 125.247 121.223 0.389 0.000 2.365 311 L HA 0.516 4.857 4.340 0.001 0.000 0.273 311 L C -1.251 175.543 176.870 -0.127 0.000 1.000 311 L CA -0.519 54.286 54.840 -0.059 0.000 0.819 311 L CB 1.823 43.294 42.059 -0.979 0.000 1.284 311 L HN 0.744 nan 8.230 nan 0.000 0.418 312 N N 6.475 124.877 118.700 -0.496 0.000 2.569 312 N HA 0.367 5.108 4.740 0.001 0.000 0.254 312 N C -2.236 172.757 175.510 -0.861 0.000 1.004 312 N CA -1.530 50.961 53.050 -0.932 0.000 0.904 312 N CB 2.156 39.589 38.487 -1.756 0.000 1.165 312 N HN 0.368 nan 8.380 nan 0.000 0.513 313 P HA 0.149 nan 4.420 nan 0.000 0.255 313 P C -0.414 176.421 177.300 -0.775 0.000 1.248 313 P CA 0.305 62.487 63.100 -1.529 0.000 0.807 313 P CB 0.481 31.337 31.700 -1.406 0.000 1.150 314 R N 0.529 120.718 120.500 -0.518 0.000 2.647 314 R HA 0.291 4.631 4.340 0.001 0.000 0.295 314 R C -2.576 173.557 176.300 -0.278 0.000 1.267 314 R CA -1.492 54.437 56.100 -0.286 0.000 1.386 314 R CB 0.503 30.669 30.300 -0.223 0.000 1.309 314 R HN 0.180 nan 8.270 nan 0.000 0.692 315 P HA 0.040 nan 4.420 nan 0.000 0.267 315 P C -1.913 175.302 177.300 -0.141 0.000 1.200 315 P CA -0.559 62.384 63.100 -0.262 0.000 0.772 315 P CB 0.857 32.425 31.700 -0.219 0.000 0.855 316 P HA 0.083 nan 4.420 nan 0.000 0.255 316 P C 0.362 177.565 177.300 -0.161 0.000 1.248 316 P CA 0.049 63.074 63.100 -0.126 0.000 0.807 316 P CB -0.010 31.671 31.700 -0.032 0.000 1.150 317 A N 2.604 125.324 122.820 -0.167 0.000 2.567 317 A HA -0.012 4.308 4.320 0.001 0.000 0.263 317 A C -1.177 176.294 177.584 -0.189 0.000 1.030 317 A CA -0.271 51.678 52.037 -0.147 0.000 0.833 317 A CB -0.616 18.295 19.000 -0.148 0.000 0.924 317 A HN 0.142 nan 8.150 nan 0.000 0.518 318 P HA -0.180 nan 4.420 nan 0.000 0.217 318 P C 1.337 178.699 177.300 0.103 0.000 1.150 318 P CA 1.398 64.559 63.100 0.103 0.000 0.832 318 P CB 0.134 31.907 31.700 0.122 0.000 0.787 319 E N 0.125 120.337 120.200 0.020 0.000 2.515 319 E HA -0.052 4.298 4.350 0.001 0.000 0.201 319 E C 1.231 177.817 176.600 -0.023 0.000 1.071 319 E CA 0.937 57.350 56.400 0.022 0.000 0.880 319 E CB -0.843 28.858 29.700 0.001 0.000 0.828 319 E HN 0.173 nan 8.360 nan 0.000 0.540 320 A N 0.228 122.974 122.820 -0.122 0.000 2.308 320 A HA 0.142 4.462 4.320 0.001 0.000 0.217 320 A C 0.235 177.679 177.584 -0.233 0.000 1.216 320 A CA -0.628 51.282 52.037 -0.212 0.000 0.864 320 A CB -0.539 18.268 19.000 -0.322 0.000 0.902 320 A HN 0.254 nan 8.150 nan 0.000 0.499 321 W N 2.296 123.560 121.300 -0.061 0.000 2.308 321 W HA 0.283 4.945 4.660 0.004 0.000 0.324 321 W C 1.179 177.719 176.519 0.035 0.000 1.387 321 W CA 0.390 57.724 57.345 -0.018 0.000 1.250 321 W CB 0.730 30.182 29.460 -0.014 0.000 1.257 321 W HN 0.371 nan 8.180 nan 0.000 0.554 322 S N 2.456 118.384 115.700 0.381 0.000 2.626 322 S HA 0.224 4.695 4.470 0.001 0.000 0.257 322 S C 0.153 174.947 174.600 0.322 0.000 1.288 322 S CA -0.832 57.530 58.200 0.270 0.000 0.980 322 S CB 0.798 64.136 63.200 0.232 0.000 0.975 322 S HN 0.464 nan 8.310 nan 0.000 0.577 323 E N 1.912 122.229 120.200 0.194 0.000 2.349 323 E HA 0.376 4.726 4.350 0.001 0.000 0.265 323 E C -2.163 174.392 176.600 -0.075 0.000 1.064 323 E CA -2.023 54.428 56.400 0.083 0.000 0.886 323 E CB 0.473 30.193 29.700 0.033 0.000 1.036 323 E HN 0.532 nan 8.360 nan 0.000 0.413 324 P HA 0.104 nan 4.420 nan 0.000 0.274 324 P C -0.407 176.650 177.300 -0.405 0.000 1.231 324 P CA -0.246 62.387 63.100 -0.779 0.000 0.790 324 P CB 0.826 31.811 31.700 -1.192 0.000 0.951 325 V N 3.719 123.381 119.914 -0.419 0.000 2.459 325 V HA 0.137 4.258 4.120 0.001 0.000 0.295 325 V C 0.522 176.375 176.094 -0.402 0.000 1.029 325 V CA -1.004 61.028 62.300 -0.446 0.000 0.874 325 V CB 1.676 33.055 31.823 -0.740 0.000 0.985 325 V HN 0.480 nan 8.190 nan 0.000 0.438 326 L N 5.998 127.023 121.223 -0.330 0.000 2.530 326 L HA 0.169 4.510 4.340 0.001 0.000 0.273 326 L C 0.779 177.459 176.870 -0.315 0.000 1.141 326 L CA 0.864 55.533 54.840 -0.286 0.000 0.905 326 L CB 0.566 42.494 42.059 -0.218 0.000 1.202 326 L HN 0.734 nan 8.230 nan 0.000 0.473 327 L N 4.898 125.923 121.223 -0.331 0.000 2.145 327 L HA 0.189 4.529 4.340 0.001 0.000 0.201 327 L C 0.670 177.379 176.870 -0.269 0.000 1.075 327 L CA 0.510 55.136 54.840 -0.356 0.000 0.773 327 L CB 0.125 41.950 42.059 -0.391 0.000 0.936 327 L HN 0.764 nan 8.230 nan 0.000 0.451 328 A N -0.079 122.582 122.820 -0.265 0.000 2.465 328 A HA 0.453 4.773 4.320 0.001 0.000 0.292 328 A C -0.987 176.515 177.584 -0.138 0.000 1.041 328 A CA -0.677 51.259 52.037 -0.170 0.000 0.718 328 A CB 1.035 19.942 19.000 -0.155 0.000 1.266 328 A HN -0.023 nan 8.150 nan 0.000 0.403 329 K N 1.107 121.455 120.400 -0.088 0.000 2.154 329 K HA 0.627 4.947 4.320 0.001 0.000 0.264 329 K C 0.756 177.326 176.600 -0.050 0.000 1.008 329 K CA 0.786 57.029 56.287 -0.073 0.000 0.937 329 K CB 1.038 33.503 32.500 -0.059 0.000 1.002 329 K HN 1.828 nan 8.250 nan 0.000 0.469 330 G N 0.650 109.418 108.800 -0.054 0.000 2.582 330 G HA2 -0.244 3.716 3.960 0.001 0.000 0.222 330 G HA3 -0.244 3.716 3.960 0.001 0.000 0.222 330 G C -0.578 174.277 174.900 -0.076 0.000 1.311 330 G CA -0.493 44.574 45.100 -0.055 0.000 0.915 330 G HN 0.513 nan 8.290 nan 0.000 0.528 331 S N -0.695 114.955 115.700 -0.084 0.000 2.506 331 S HA 0.429 4.900 4.470 0.001 0.000 0.291 331 S C 0.190 174.748 174.600 -0.071 0.000 1.230 331 S CA 0.531 58.659 58.200 -0.121 0.000 1.107 331 S CB -1.292 61.814 63.200 -0.157 0.000 0.942 331 S HN 1.311 nan 8.310 nan 0.000 0.502 332 C N 4.805 124.059 119.300 -0.077 0.000 2.446 332 C HA 0.792 5.253 4.460 0.001 0.000 0.329 332 C C 0.929 175.908 174.990 -0.018 0.000 1.166 332 C CA -0.637 58.385 59.018 0.008 0.000 1.341 332 C CB 0.482 28.175 27.740 -0.079 0.000 1.970 332 C HN 1.044 nan 8.230 nan 0.000 0.452 333 A N 2.211 125.081 122.820 0.084 0.000 3.411 333 A HA 0.738 5.059 4.320 0.001 0.000 0.197 333 A C -0.454 177.296 177.584 0.278 0.000 1.630 333 A CA -0.006 52.143 52.037 0.187 0.000 1.807 333 A CB -0.575 18.645 19.000 0.367 0.000 1.519 333 A HN 0.671 nan 8.150 nan 0.000 0.502 334 Y N 1.212 121.595 120.300 0.138 0.000 2.709 334 Y HA 0.313 4.864 4.550 0.001 0.000 0.348 334 Y C 1.121 177.120 175.900 0.164 0.000 1.267 334 Y CA 0.434 58.609 58.100 0.125 0.000 1.486 334 Y CB 0.126 38.674 38.460 0.146 0.000 1.356 334 Y HN 0.651 nan 8.280 nan 0.000 0.639 335 S N 0.074 115.910 115.700 0.227 0.000 2.588 335 S HA 0.605 5.076 4.470 0.001 0.000 0.269 335 S C -1.892 172.851 174.600 0.237 0.000 1.157 335 S CA -1.105 57.244 58.200 0.248 0.000 0.824 335 S CB 2.884 66.181 63.200 0.161 0.000 1.126 335 S HN 0.473 nan 8.310 nan 0.000 0.464 336 D N -0.031 120.539 120.400 0.284 0.000 2.966 336 D HA 0.534 5.175 4.640 0.001 0.000 0.222 336 D C -1.289 175.189 176.300 0.296 0.000 1.292 336 D CA -0.280 53.914 54.000 0.324 0.000 0.907 336 D CB 1.264 42.286 40.800 0.370 0.000 1.621 336 D HN 0.627 nan 8.370 nan 0.000 0.557 337 L N 2.260 123.635 121.223 0.254 0.000 2.352 337 L HA 0.704 5.045 4.340 0.001 0.000 0.269 337 L C -0.442 176.449 176.870 0.036 0.000 1.034 337 L CA -0.765 54.177 54.840 0.170 0.000 0.806 337 L CB 1.676 43.837 42.059 0.171 0.000 1.244 337 L HN 0.357 nan 8.230 nan 0.000 0.447 338 Q N 0.716 120.568 119.800 0.086 0.000 2.281 338 Q HA 0.274 4.614 4.340 0.001 0.000 0.263 338 Q C -1.080 174.956 176.000 0.059 0.000 0.989 338 Q CA -0.173 55.659 55.803 0.048 0.000 0.852 338 Q CB 2.221 31.032 28.738 0.123 0.000 1.337 338 Q HN 0.519 nan 8.270 nan 0.000 0.418 339 S N 3.403 119.143 115.700 0.067 0.000 2.565 339 S HA 0.465 4.935 4.470 0.001 0.000 0.276 339 S C 0.133 174.550 174.600 -0.305 0.000 1.326 339 S CA -0.088 58.087 58.200 -0.042 0.000 1.045 339 S CB 0.305 63.564 63.200 0.097 0.000 0.918 339 S HN 0.765 nan 8.310 nan 0.000 0.505 340 M N 4.124 123.383 119.600 -0.568 0.000 2.603 340 M HA 0.318 4.798 4.480 0.001 0.000 0.380 340 M C 0.686 176.606 176.300 -0.634 0.000 1.158 340 M CA -0.057 54.649 55.300 -0.990 0.000 0.921 340 M CB 0.426 32.403 32.600 -1.039 0.000 1.417 340 M HN 0.940 nan 8.290 nan 0.000 0.523 341 G N 0.661 109.241 108.800 -0.365 0.000 2.725 341 G HA2 -0.191 3.769 3.960 0.001 0.000 0.220 341 G HA3 -0.191 3.769 3.960 0.001 0.000 0.220 341 G C -0.426 174.305 174.900 -0.281 0.000 1.357 341 G CA -0.884 44.084 45.100 -0.221 0.000 0.866 341 G HN 0.214 nan 8.290 nan 0.000 0.548 342 T N 1.349 115.796 114.554 -0.178 0.000 2.902 342 T HA 0.501 4.852 4.350 0.001 0.000 0.301 342 T C 1.166 175.750 174.700 -0.193 0.000 1.012 342 T CA 0.970 62.972 62.100 -0.164 0.000 1.151 342 T CB 0.872 69.694 68.868 -0.077 0.000 0.946 342 T HN 1.454 nan 8.240 nan 0.000 0.542 343 G N 3.398 112.072 108.800 -0.210 0.000 2.488 343 G HA2 0.431 4.391 3.960 0.001 0.000 0.318 343 G HA3 0.431 4.391 3.960 0.001 0.000 0.318 343 G C -1.612 173.220 174.900 -0.113 0.000 1.188 343 G CA -1.675 43.310 45.100 -0.192 0.000 0.944 343 G HN 0.374 nan 8.290 nan 0.000 0.495 344 P HA -0.172 nan 4.420 nan 0.000 0.217 344 P C 1.047 178.302 177.300 -0.076 0.000 1.158 344 P CA 1.796 64.820 63.100 -0.126 0.000 0.887 344 P CB 0.110 31.535 31.700 -0.459 0.000 0.792 345 D N -2.416 117.934 120.400 -0.083 0.000 2.324 345 D HA 0.117 4.758 4.640 0.001 0.000 0.235 345 D C 1.386 177.699 176.300 0.021 0.000 1.095 345 D CA 0.607 54.592 54.000 -0.024 0.000 0.871 345 D CB -1.105 39.681 40.800 -0.023 0.000 0.906 345 D HN 0.278 nan 8.370 nan 0.000 0.522 346 G N -0.142 108.658 108.800 -0.000 0.000 2.205 346 G HA2 -0.307 3.654 3.960 0.001 0.000 0.261 346 G HA3 -0.307 3.654 3.960 0.001 0.000 0.261 346 G C 0.466 175.396 174.900 0.051 0.000 0.980 346 G CA 0.592 45.712 45.100 0.034 0.000 0.632 346 G HN 0.876 nan 8.290 nan 0.000 0.533 347 S N 0.067 115.751 115.700 -0.027 0.000 2.687 347 S HA 0.760 5.231 4.470 0.001 0.000 0.283 347 S C -2.474 171.974 174.600 -0.254 0.000 1.170 347 S CA -1.493 56.619 58.200 -0.147 0.000 1.008 347 S CB 2.445 65.258 63.200 -0.645 0.000 1.026 347 S HN 0.058 nan 8.310 nan 0.000 0.541 348 P HA 0.129 nan 4.420 nan 0.000 0.263 348 P C -0.961 175.820 177.300 -0.866 0.000 1.175 348 P CA -0.040 62.709 63.100 -0.585 0.000 0.761 348 P CB 0.192 31.477 31.700 -0.692 0.000 0.794 349 L N 5.330 126.000 121.223 -0.921 0.000 2.317 349 L HA 0.613 4.953 4.340 0.001 0.000 0.281 349 L C -1.199 174.998 176.870 -1.122 0.000 1.024 349 L CA -0.240 54.101 54.840 -0.832 0.000 0.810 349 L CB 0.274 42.004 42.059 -0.548 0.000 1.240 349 L HN 0.163 nan 8.230 nan 0.000 0.427 350 F N 2.070 121.688 119.950 -0.553 0.000 2.577 350 F HA 0.793 5.320 4.527 -0.000 0.000 0.318 350 F C 0.679 176.156 175.800 -0.538 0.000 1.065 350 F CA -0.716 56.921 58.000 -0.606 0.000 0.929 350 F CB 2.240 40.733 39.000 -0.845 0.000 1.237 350 F HN 0.544 nan 8.300 nan 0.000 0.468 351 G N 0.256 109.017 108.800 -0.064 0.000 2.626 351 G HA2 0.502 4.462 3.960 0.001 0.000 0.304 351 G HA3 0.502 4.462 3.960 0.001 0.000 0.304 351 G C -2.022 172.993 174.900 0.192 0.000 1.385 351 G CA -0.645 44.547 45.100 0.153 0.000 0.957 351 G HN 0.865 nan 8.290 nan 0.000 0.504 352 C N 4.304 123.669 119.300 0.108 0.000 2.369 352 C HA 0.748 5.209 4.460 0.001 0.000 0.322 352 C C -0.630 174.578 174.990 0.363 0.000 1.258 352 C CA -0.816 58.348 59.018 0.243 0.000 1.487 352 C CB 0.250 28.149 27.740 0.266 0.000 2.165 352 C HN 0.661 nan 8.230 nan 0.000 0.483 353 L N 7.971 129.441 121.223 0.411 0.000 2.280 353 L HA 0.682 5.022 4.340 0.001 0.000 0.287 353 L C -0.607 176.484 176.870 0.367 0.000 1.023 353 L CA 0.036 55.104 54.840 0.379 0.000 0.819 353 L CB 0.737 43.016 42.059 0.367 0.000 1.212 353 L HN 0.775 nan 8.230 nan 0.000 0.420 354 Y N 1.386 121.789 120.300 0.172 0.000 2.562 354 Y HA 0.666 5.217 4.550 0.001 0.000 0.345 354 Y C -0.770 175.211 175.900 0.135 0.000 1.045 354 Y CA -1.232 56.956 58.100 0.147 0.000 1.028 354 Y CB 1.018 39.536 38.460 0.096 0.000 1.297 354 Y HN 0.551 nan 8.280 nan 0.000 0.463 355 E N 1.970 122.330 120.200 0.266 0.000 2.338 355 E HA 0.617 4.968 4.350 0.001 0.000 0.272 355 E C -0.823 175.871 176.600 0.156 0.000 1.029 355 E CA -0.345 56.157 56.400 0.170 0.000 0.872 355 E CB 1.231 31.106 29.700 0.291 0.000 1.015 355 E HN 0.818 nan 8.360 nan 0.000 0.417 356 A N 3.167 125.995 122.820 0.013 0.000 2.594 356 A HA 0.479 4.800 4.320 0.001 0.000 0.291 356 A C -0.846 176.712 177.584 -0.042 0.000 1.105 356 A CA -0.907 51.145 52.037 0.025 0.000 0.694 356 A CB 1.100 20.133 19.000 0.054 0.000 1.291 356 A HN 0.688 nan 8.150 nan 0.000 0.410 357 N N 0.816 119.482 118.700 -0.057 0.000 2.708 357 N HA -0.182 4.559 4.740 0.001 0.000 0.255 357 N C -0.196 175.250 175.510 -0.105 0.000 1.046 357 N CA 1.827 54.837 53.050 -0.067 0.000 0.715 357 N CB -0.808 37.664 38.487 -0.026 0.000 0.895 357 N HN 1.239 nan 8.380 nan 0.000 0.545 358 D N -0.643 119.618 120.400 -0.233 0.000 2.699 358 D HA -0.272 4.368 4.640 0.001 0.000 0.239 358 D C -0.403 175.806 176.300 -0.151 0.000 1.136 358 D CA 1.563 55.391 54.000 -0.287 0.000 0.668 358 D CB -1.446 39.300 40.800 -0.090 0.000 1.060 358 D HN 0.577 nan 8.370 nan 0.000 0.429 359 Y N -2.733 117.573 120.300 0.009 0.000 4.079 359 Y HA -0.271 4.280 4.550 0.001 0.000 0.223 359 Y C 1.464 177.374 175.900 0.017 0.000 1.155 359 Y CA 1.089 59.192 58.100 0.004 0.000 1.805 359 Y CB -2.213 36.233 38.460 -0.022 0.000 1.571 359 Y HN 0.401 nan 8.280 nan 0.000 0.654 360 E N 1.041 121.304 120.200 0.105 0.000 2.489 360 E HA 0.106 4.456 4.350 0.001 0.000 0.193 360 E C 0.483 177.147 176.600 0.107 0.000 1.057 360 E CA 0.861 57.316 56.400 0.093 0.000 0.866 360 E CB 0.404 30.134 29.700 0.049 0.000 0.916 360 E HN 0.715 nan 8.360 nan 0.000 0.500 361 E N -1.251 119.008 120.200 0.099 0.000 2.393 361 E HA 0.200 4.551 4.350 0.001 0.000 0.282 361 E C -1.096 175.520 176.600 0.026 0.000 1.096 361 E CA -0.607 55.844 56.400 0.084 0.000 0.866 361 E CB 0.333 30.049 29.700 0.027 0.000 1.232 361 E HN -0.101 nan 8.360 nan 0.000 0.431 362 I N 2.185 122.776 120.570 0.034 0.000 2.328 362 I HA 0.297 4.467 4.170 0.001 0.000 0.287 362 I C -0.543 175.485 176.117 -0.148 0.000 1.012 362 I CA -1.204 60.084 61.300 -0.021 0.000 1.195 362 I CB 1.570 39.653 38.000 0.139 0.000 1.350 362 I HN 0.333 nan 8.210 nan 0.000 0.464 363 V N 6.712 126.385 119.914 -0.403 0.000 2.509 363 V HA 0.236 4.356 4.120 0.001 0.000 0.284 363 V C -0.195 175.764 176.094 -0.225 0.000 1.047 363 V CA -0.465 61.583 62.300 -0.421 0.000 0.952 363 V CB 1.473 32.873 31.823 -0.705 0.000 0.988 363 V HN 0.406 nan 8.190 nan 0.000 0.469 364 F N 5.849 125.679 119.950 -0.200 0.000 2.399 364 F HA 0.754 5.281 4.527 0.001 0.000 0.334 364 F C -0.725 175.152 175.800 0.128 0.000 1.097 364 F CA -1.021 56.959 58.000 -0.033 0.000 1.076 364 F CB 1.323 40.270 39.000 -0.089 0.000 1.162 364 F HN 0.326 nan 8.300 nan 0.000 0.495 365 L N 6.820 127.549 121.223 -0.822 0.000 2.408 365 L HA 0.587 4.927 4.340 0.001 0.000 0.268 365 L C -1.337 175.019 176.870 -0.856 0.000 0.986 365 L CA -0.587 53.950 54.840 -0.505 0.000 0.820 365 L CB 1.964 44.070 42.059 0.078 0.000 1.303 365 L HN 0.795 nan 8.230 nan 0.000 0.411 366 M N 5.547 124.877 119.600 -0.450 0.000 2.165 366 M HA 0.619 5.099 4.480 0.001 0.000 0.283 366 M C -1.870 174.422 176.300 -0.013 0.000 0.978 366 M CA -0.446 54.684 55.300 -0.284 0.000 0.948 366 M CB 1.086 33.662 32.600 -0.040 0.000 1.599 366 M HN 0.511 nan 8.290 nan 0.000 0.450 367 F N 1.019 120.964 119.950 -0.009 0.000 2.685 367 F HA 0.913 5.440 4.527 0.000 0.000 0.315 367 F C -0.695 175.147 175.800 0.069 0.000 1.126 367 F CA -0.804 57.205 58.000 0.014 0.000 0.950 367 F CB 0.911 39.913 39.000 0.003 0.000 1.360 367 F HN 0.492 nan 8.300 nan 0.000 0.469 368 T N -0.669 114.044 114.554 0.265 0.000 2.952 368 T HA 0.413 4.764 4.350 0.001 0.000 0.286 368 T C 0.556 175.444 174.700 0.315 0.000 1.024 368 T CA -0.574 61.589 62.100 0.104 0.000 1.029 368 T CB 1.718 70.541 68.868 -0.075 0.000 1.094 368 T HN 0.923 nan 8.240 nan 0.000 0.515 369 L N 1.048 122.374 121.223 0.172 0.000 2.012 369 L HA 0.048 4.388 4.340 0.001 0.000 0.210 369 L C 2.712 179.609 176.870 0.044 0.000 1.073 369 L CA 1.980 56.967 54.840 0.246 0.000 0.748 369 L CB -0.747 41.318 42.059 0.010 0.000 0.891 369 L HN 0.918 nan 8.230 nan 0.000 0.431 370 K N -1.132 119.096 120.400 -0.287 0.000 2.152 370 K HA -0.227 4.094 4.320 0.001 0.000 0.206 370 K C 2.023 178.627 176.600 0.006 0.000 1.048 370 K CA 1.707 57.880 56.287 -0.190 0.000 0.933 370 K CB -0.060 32.315 32.500 -0.208 0.000 0.721 370 K HN 0.545 nan 8.250 nan 0.000 0.447 371 Q N -0.613 119.203 119.800 0.026 0.000 2.096 371 Q HA -0.048 4.293 4.340 0.001 0.000 0.197 371 Q C 2.046 178.009 176.000 -0.060 0.000 0.964 371 Q CA 1.316 57.128 55.803 0.015 0.000 0.838 371 Q CB 0.047 28.823 28.738 0.063 0.000 0.906 371 Q HN 0.405 nan 8.270 nan 0.000 0.444 372 A N -0.094 122.700 122.820 -0.043 0.000 1.935 372 A HA 0.024 4.344 4.320 0.001 0.000 0.214 372 A C 0.548 177.788 177.584 -0.573 0.000 1.178 372 A CA 0.650 52.475 52.037 -0.354 0.000 0.640 372 A CB 0.164 18.965 19.000 -0.331 0.000 0.825 372 A HN 0.280 nan 8.150 nan 0.000 0.447 373 F N 0.002 119.978 119.950 0.044 0.000 2.542 373 F HA 0.304 4.832 4.527 0.001 0.000 0.323 373 F C -1.705 174.178 175.800 0.138 0.000 1.411 373 F CA -1.791 56.263 58.000 0.091 0.000 1.124 373 F CB 1.331 40.427 39.000 0.160 0.000 1.331 373 F HN 0.117 nan 8.300 nan 0.000 0.560 374 P HA -0.138 nan 4.420 nan 0.000 0.234 374 P C 0.931 178.361 177.300 0.216 0.000 1.162 374 P CA 1.045 64.258 63.100 0.189 0.000 0.759 374 P CB 0.412 32.167 31.700 0.092 0.000 0.813 375 A N 0.563 123.525 122.820 0.236 0.000 1.944 375 A HA 0.068 4.388 4.320 0.001 0.000 0.209 375 A C 1.887 179.618 177.584 0.245 0.000 1.328 375 A CA 0.363 52.520 52.037 0.200 0.000 0.693 375 A CB -0.661 18.431 19.000 0.154 0.000 0.994 375 A HN -0.000 nan 8.150 nan 0.000 0.485 376 E N -0.914 119.469 120.200 0.305 0.000 2.526 376 E HA 0.049 4.399 4.350 0.001 0.000 0.198 376 E C -0.095 176.810 176.600 0.509 0.000 1.091 376 E CA -0.015 56.568 56.400 0.305 0.000 0.880 376 E CB -0.277 29.527 29.700 0.173 0.000 0.873 376 E HN 0.589 nan 8.360 nan 0.000 0.527 377 Y N 0.000 120.483 120.300 0.305 0.000 2.660 377 Y HA 0.000 4.551 4.550 0.002 0.000 0.201 377 Y CA 0.000 58.268 58.100 0.279 0.000 1.940 377 Y CB 0.000 38.600 38.460 0.233 0.000 1.050 377 Y HN 0.000 nan 8.280 nan 0.000 0.758