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 3c8v_1_B DATA FIRST_RESID 0 DATA SEQUENCE GXTQLELLLE RIIDRVNVNL RHQKFDVGDY VRRQTPHLHY SKFYAFYGLS DATA SEQUENCE ADDPVHFHFK NSSLAGSYLL GRVNVLHSAL YKSDIRGDEL KRKGQHFVCX DATA SEQUENCE XXXIPLHDDE VITIKDSFLN KTLVHSNSHD PESPEEFTIR NTVAXPYANI DATA SEQUENCE HGSLTEGSFI GSFATVDLST IHNSVVRYFS YVQTGELVGK CVEPGQIWIK DATA SEQUENCE SGDELEFHYS FDKAILDKYI SQEAGSCPTG VLXEFVEVRQ EDFEEVFXXX DATA SEQUENCE XXXXXXXSAS GASVSGYAVI KGDTVIGENV LVSQRAYLDN AWXGKGSNAQ DATA SEQUENCE ENCYIINSRL ERNCVTAHGG KIINAHLGDX IFTGFNSFLQ GSESSPLKIG DATA SEQUENCE DGCVVXPHTI IDLEEPLEIP AGHLVWGYIR NKADLAAHSI SFEEFAKVDG DATA SEQUENCE EVTXGRXTFR GKGGPFLDSF KKRIKRILSE NGAFFDGSEG TGHAQKXXNF DATA SEQUENCE TFNIIQPYQD GDPRGXYPTI LIQPNN 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 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 0 G C 0.000 174.862 174.900 -0.063 0.000 0.946 0 G CA 0.000 45.073 45.100 -0.046 0.000 0.502 3 Q N -0.660 119.063 119.800 -0.129 0.000 2.167 3 Q HA 0.027 4.367 4.340 -0.000 0.000 0.202 3 Q C 1.829 177.797 176.000 -0.053 0.000 0.970 3 Q CA 1.066 56.820 55.803 -0.081 0.000 0.855 3 Q CB -0.187 28.498 28.738 -0.089 0.000 0.911 3 Q HN 0.511 nan 8.270 nan 0.000 0.438 4 L N 0.886 122.076 121.223 -0.056 0.000 2.131 4 L HA -0.065 4.275 4.340 -0.000 0.000 0.206 4 L C 1.694 178.526 176.870 -0.063 0.000 1.087 4 L CA 1.717 56.525 54.840 -0.053 0.000 0.767 4 L CB -0.206 41.817 42.059 -0.060 0.000 0.917 4 L HN 0.081 nan 8.230 nan 0.000 0.441 5 E N -0.837 119.337 120.200 -0.044 0.000 2.110 5 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 5 E C 2.083 178.656 176.600 -0.045 0.000 0.988 5 E CA 1.240 57.619 56.400 -0.036 0.000 0.804 5 E CB -0.115 29.576 29.700 -0.016 0.000 0.745 5 E HN 0.336 nan 8.360 nan 0.000 0.458 6 L N 0.393 121.590 121.223 -0.043 0.000 2.131 6 L HA -0.075 4.265 4.340 -0.000 0.000 0.206 6 L C 2.084 178.947 176.870 -0.012 0.000 1.087 6 L CA 0.772 55.594 54.840 -0.030 0.000 0.767 6 L CB -0.171 41.870 42.059 -0.030 0.000 0.917 6 L HN 0.146 nan 8.230 nan 0.000 0.441 7 L N -1.045 120.174 121.223 -0.006 0.000 2.083 7 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 7 L C 2.131 179.012 176.870 0.019 0.000 1.083 7 L CA 1.807 56.663 54.840 0.026 0.000 0.752 7 L CB -0.453 41.626 42.059 0.034 0.000 0.899 7 L HN 0.216 nan 8.230 nan 0.000 0.433 8 L N -1.006 120.203 121.223 -0.023 0.000 2.109 8 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 8 L C 2.555 179.392 176.870 -0.055 0.000 1.086 8 L CA 0.647 55.450 54.840 -0.061 0.000 0.760 8 L CB -0.642 41.336 42.059 -0.136 0.000 0.910 8 L HN 0.232 nan 8.230 nan 0.000 0.437 9 E N 0.164 120.338 120.200 -0.043 0.000 2.150 9 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 9 E C 2.331 178.923 176.600 -0.014 0.000 0.985 9 E CA 0.786 57.165 56.400 -0.034 0.000 0.814 9 E CB -0.086 29.595 29.700 -0.031 0.000 0.752 9 E HN 0.336 nan 8.360 nan 0.000 0.466 10 R N 0.309 120.810 120.500 0.000 0.000 2.073 10 R HA 0.028 4.368 4.340 -0.000 0.000 0.229 10 R C 2.536 178.849 176.300 0.022 0.000 1.120 10 R CA 0.496 56.604 56.100 0.012 0.000 0.967 10 R CB -0.593 29.723 30.300 0.027 0.000 0.862 10 R HN 0.258 nan 8.270 nan 0.000 0.436 11 I N 0.746 121.337 120.570 0.035 0.000 2.142 11 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 11 I C 2.351 178.497 176.117 0.048 0.000 1.078 11 I CA 1.360 62.696 61.300 0.059 0.000 1.343 11 I CB -0.353 37.701 38.000 0.090 0.000 1.046 11 I HN 0.030 nan 8.210 nan 0.000 0.405 12 I N 0.751 121.334 120.570 0.021 0.000 2.248 12 I HA -0.349 3.821 4.170 -0.000 0.000 0.248 12 I C 1.949 178.081 176.117 0.025 0.000 1.107 12 I CA 1.464 62.776 61.300 0.021 0.000 1.373 12 I CB -0.442 37.549 38.000 -0.014 0.000 1.055 12 I HN 0.283 nan 8.210 nan 0.000 0.418 13 D N 0.089 120.496 120.400 0.012 0.000 2.162 13 D HA -0.075 4.565 4.640 -0.000 0.000 0.203 13 D C 2.359 178.665 176.300 0.010 0.000 0.967 13 D CA 0.716 54.720 54.000 0.006 0.000 0.840 13 D CB -0.154 40.645 40.800 -0.003 0.000 0.972 13 D HN 0.205 nan 8.370 nan 0.000 0.482 14 R N 0.523 121.034 120.500 0.018 0.000 2.066 14 R HA -0.028 4.312 4.340 -0.000 0.000 0.232 14 R C 2.331 178.646 176.300 0.025 0.000 1.131 14 R CA 0.567 56.678 56.100 0.017 0.000 0.955 14 R CB -0.836 29.478 30.300 0.023 0.000 0.851 14 R HN 0.151 nan 8.270 nan 0.000 0.432 15 V N 2.087 122.029 119.914 0.047 0.000 2.548 15 V HA -0.166 3.954 4.120 -0.000 0.000 0.249 15 V C 1.776 177.907 176.094 0.063 0.000 1.055 15 V CA 1.413 63.753 62.300 0.066 0.000 1.065 15 V CB -0.541 31.351 31.823 0.114 0.000 0.681 15 V HN 0.256 nan 8.190 nan 0.000 0.462 16 N N 0.187 118.919 118.700 0.054 0.000 2.270 16 N HA -0.087 4.653 4.740 -0.000 0.000 0.181 16 N C 1.744 177.257 175.510 0.005 0.000 1.016 16 N CA 0.973 54.048 53.050 0.043 0.000 0.870 16 N CB -0.301 38.202 38.487 0.027 0.000 0.979 16 N HN 0.329 nan 8.380 nan 0.000 0.431 17 V N 1.301 121.210 119.914 -0.008 0.000 2.427 17 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 17 V C 1.598 177.662 176.094 -0.051 0.000 1.051 17 V CA 1.424 63.702 62.300 -0.036 0.000 1.048 17 V CB -0.566 31.243 31.823 -0.024 0.000 0.666 17 V HN 0.297 nan 8.190 nan 0.000 0.456 18 N N -0.246 118.437 118.700 -0.028 0.000 2.188 18 N HA -0.020 4.720 4.740 -0.000 0.000 0.184 18 N C 1.353 176.841 175.510 -0.037 0.000 1.018 18 N CA 0.958 53.982 53.050 -0.043 0.000 0.858 18 N CB -0.057 38.399 38.487 -0.052 0.000 0.989 18 N HN 0.363 nan 8.380 nan 0.000 0.426 19 L N 0.898 122.116 121.223 -0.009 0.000 2.700 19 L HA 0.202 4.542 4.340 -0.000 0.000 0.234 19 L C 1.650 178.528 176.870 0.014 0.000 1.156 19 L CA -0.135 54.720 54.840 0.025 0.000 0.946 19 L CB -0.006 42.102 42.059 0.082 0.000 1.216 19 L HN 0.248 nan 8.230 nan 0.000 0.493 20 R N -1.257 119.193 120.500 -0.083 0.000 2.241 20 R HA -0.144 4.196 4.340 -0.000 0.000 0.224 20 R C 1.157 177.357 176.300 -0.167 0.000 1.101 20 R CA 1.087 57.099 56.100 -0.148 0.000 0.995 20 R CB -0.376 29.775 30.300 -0.249 0.000 0.870 20 R HN 0.416 nan 8.270 nan 0.000 0.463 21 H N 0.617 119.710 119.070 0.039 0.000 2.553 21 H HA 0.148 4.704 4.556 -0.000 0.000 0.265 21 H C 0.963 176.318 175.328 0.045 0.000 0.964 21 H CA 0.510 56.580 56.048 0.037 0.000 1.156 21 H CB 0.569 30.351 29.762 0.032 0.000 1.411 21 H HN 0.461 nan 8.280 nan 0.000 0.558 22 Q N 0.307 120.192 119.800 0.141 0.000 2.247 22 Q HA 0.068 4.408 4.340 -0.000 0.000 0.211 22 Q C 0.153 176.237 176.000 0.139 0.000 0.861 22 Q CA -0.189 55.693 55.803 0.131 0.000 0.949 22 Q CB 0.844 29.652 28.738 0.117 0.000 1.115 22 Q HN 0.079 nan 8.270 nan 0.000 0.507 23 K N 0.425 120.886 120.400 0.102 0.000 3.020 23 K HA -0.212 4.108 4.320 -0.000 0.000 0.266 23 K C -0.530 176.123 176.600 0.089 0.000 1.067 23 K CA 0.482 56.811 56.287 0.070 0.000 0.780 23 K CB -1.605 30.925 32.500 0.051 0.000 1.220 23 K HN 0.206 nan 8.250 nan 0.000 0.483 24 F N 1.257 121.192 119.950 -0.025 0.000 2.411 24 F HA 0.240 4.767 4.527 -0.000 0.000 0.350 24 F C 0.343 176.115 175.800 -0.046 0.000 1.114 24 F CA -0.924 57.048 58.000 -0.047 0.000 1.135 24 F CB 0.761 39.713 39.000 -0.080 0.000 1.120 24 F HN -0.044 nan 8.300 nan 0.000 0.495 25 D N 5.111 125.283 120.400 -0.380 0.000 2.392 25 D HA 0.174 4.814 4.640 -0.000 0.000 0.228 25 D C 0.630 176.817 176.300 -0.188 0.000 1.074 25 D CA -0.262 53.617 54.000 -0.200 0.000 0.838 25 D CB 1.573 42.268 40.800 -0.175 0.000 1.067 25 D HN 0.399 nan 8.370 nan 0.000 0.511 26 V N 2.283 122.234 119.914 0.063 0.000 3.623 26 V HA 0.279 4.399 4.120 -0.000 0.000 0.271 26 V C 1.839 178.064 176.094 0.218 0.000 1.248 26 V CA 1.026 63.473 62.300 0.244 0.000 1.156 26 V CB -0.070 31.943 31.823 0.315 0.000 0.870 26 V HN 0.475 nan 8.190 nan 0.000 0.453 27 G N 0.898 109.736 108.800 0.063 0.000 2.491 27 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 27 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 27 G C 1.165 176.046 174.900 -0.033 0.000 1.180 27 G CA 1.329 46.426 45.100 -0.005 0.000 0.774 27 G HN 0.541 nan 8.290 nan 0.000 0.562 28 D N -0.845 119.506 120.400 -0.083 0.000 2.347 28 D HA 0.043 4.683 4.640 -0.000 0.000 0.213 28 D C 1.688 177.883 176.300 -0.174 0.000 0.985 28 D CA 0.240 54.138 54.000 -0.170 0.000 0.879 28 D CB -0.027 40.618 40.800 -0.258 0.000 0.919 28 D HN 0.469 nan 8.370 nan 0.000 0.526 29 Y N -0.316 119.993 120.300 0.015 0.000 2.519 29 Y HA -0.004 4.546 4.550 -0.000 0.000 0.287 29 Y C 2.203 178.138 175.900 0.059 0.000 1.128 29 Y CA 0.268 58.443 58.100 0.124 0.000 1.282 29 Y CB 0.331 38.990 38.460 0.333 0.000 1.027 29 Y HN -0.153 nan 8.280 nan 0.000 0.551 30 V N -1.052 118.875 119.914 0.022 0.000 3.048 30 V HA 0.088 4.208 4.120 -0.000 0.000 0.241 30 V C 0.965 176.809 176.094 -0.418 0.000 1.129 30 V CA 0.088 62.132 62.300 -0.427 0.000 1.128 30 V CB 0.108 31.657 31.823 -0.457 0.000 0.849 30 V HN 0.018 nan 8.190 nan 0.000 0.475 31 R N 1.855 122.229 120.500 -0.210 0.000 2.490 31 R HA 0.494 4.834 4.340 -0.000 0.000 0.278 31 R C 0.028 176.260 176.300 -0.113 0.000 1.069 31 R CA -0.190 55.814 56.100 -0.160 0.000 1.080 31 R CB 0.687 30.918 30.300 -0.115 0.000 1.030 31 R HN 0.567 nan 8.270 nan 0.000 0.491 32 R N 1.188 121.631 120.500 -0.095 0.000 2.762 32 R HA 0.250 4.590 4.340 -0.000 0.000 0.271 32 R C -1.303 174.962 176.300 -0.058 0.000 1.038 32 R CA -1.069 54.988 56.100 -0.072 0.000 0.906 32 R CB 0.681 30.942 30.300 -0.065 0.000 1.259 32 R HN 0.320 nan 8.270 nan 0.000 0.457 33 Q N 1.653 121.417 119.800 -0.060 0.000 2.296 33 Q HA 0.105 4.445 4.340 -0.000 0.000 0.262 33 Q C -0.425 175.535 176.000 -0.066 0.000 0.981 33 Q CA 1.221 56.993 55.803 -0.052 0.000 0.905 33 Q CB 1.270 29.976 28.738 -0.053 0.000 1.186 33 Q HN 0.845 nan 8.270 nan 0.000 0.399 34 T N 0.840 115.355 114.554 -0.065 0.000 2.910 34 T HA -0.120 4.230 4.350 -0.000 0.000 0.459 34 T C -1.754 172.771 174.700 -0.292 0.000 0.777 34 T CA 0.186 62.150 62.100 -0.226 0.000 2.387 34 T CB -0.761 67.934 68.868 -0.288 0.000 1.610 34 T HN 0.486 nan 8.240 nan 0.000 0.515 35 P HA -0.138 nan 4.420 nan 0.000 0.222 35 P C 1.801 179.089 177.300 -0.021 0.000 1.153 35 P CA 1.642 64.717 63.100 -0.040 0.000 0.798 35 P CB -0.188 31.394 31.700 -0.196 0.000 0.796 36 H N 0.094 119.157 119.070 -0.012 0.000 2.422 36 H HA -0.045 4.511 4.556 -0.000 0.000 0.298 36 H C 1.904 177.301 175.328 0.115 0.000 1.098 36 H CA 0.858 56.922 56.048 0.026 0.000 1.315 36 H CB -1.349 28.410 29.762 -0.005 0.000 1.382 36 H HN 0.169 nan 8.280 nan 0.000 0.523 37 L N -0.082 120.993 121.223 -0.248 0.000 2.209 37 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 37 L C 2.756 179.685 176.870 0.098 0.000 1.094 37 L CA 1.124 55.917 54.840 -0.078 0.000 0.790 37 L CB -0.372 41.583 42.059 -0.172 0.000 0.932 37 L HN 0.306 nan 8.230 nan 0.000 0.447 38 H N -0.956 118.179 119.070 0.109 0.000 2.355 38 H HA -0.110 4.446 4.556 -0.000 0.000 0.303 38 H C 1.887 177.503 175.328 0.480 0.000 1.061 38 H CA 1.528 57.731 56.048 0.259 0.000 1.368 38 H CB 0.016 29.940 29.762 0.269 0.000 1.412 38 H HN 0.112 nan 8.280 nan 0.000 0.523 39 Y N 0.558 120.977 120.300 0.198 0.000 2.509 39 Y HA -0.051 4.499 4.550 -0.000 0.000 0.293 39 Y C 2.638 178.694 175.900 0.260 0.000 1.133 39 Y CA 1.101 59.369 58.100 0.281 0.000 1.283 39 Y CB -0.275 38.336 38.460 0.252 0.000 1.001 39 Y HN 0.379 nan 8.280 nan 0.000 0.555 40 S N -1.147 114.717 115.700 0.274 0.000 2.562 40 S HA -0.014 4.456 4.470 -0.000 0.000 0.221 40 S C 1.514 176.106 174.600 -0.012 0.000 0.975 40 S CA 0.150 58.423 58.200 0.122 0.000 0.918 40 S CB -0.146 63.110 63.200 0.093 0.000 0.772 40 S HN 0.339 nan 8.310 nan 0.000 0.531 41 K N 0.105 120.442 120.400 -0.105 0.000 2.459 41 K HA 0.245 4.565 4.320 -0.000 0.000 0.193 41 K C -0.787 175.372 176.600 -0.736 0.000 1.030 41 K CA 0.310 56.319 56.287 -0.462 0.000 1.026 41 K CB 0.082 32.178 32.500 -0.672 0.000 0.809 41 K HN 0.403 nan 8.250 nan 0.000 0.504 42 F N -0.574 119.261 119.950 -0.191 0.000 2.561 42 F HA 0.332 4.859 4.527 -0.000 0.000 0.321 42 F C 0.089 175.816 175.800 -0.123 0.000 1.065 42 F CA -1.365 56.501 58.000 -0.223 0.000 0.934 42 F CB 0.803 39.693 39.000 -0.184 0.000 1.215 42 F HN -0.207 nan 8.300 nan 0.000 0.471 43 Y N 0.778 121.098 120.300 0.032 0.000 2.432 43 Y HA 0.754 5.304 4.550 -0.000 0.000 0.322 43 Y C 0.340 176.030 175.900 -0.349 0.000 1.246 43 Y CA -1.786 56.190 58.100 -0.207 0.000 1.268 43 Y CB 0.915 39.096 38.460 -0.464 0.000 1.276 43 Y HN 0.657 nan 8.280 nan 0.000 0.499 44 A N 0.908 123.520 122.820 -0.347 0.000 2.437 44 A HA 0.909 5.229 4.320 -0.000 0.000 0.292 44 A C -1.924 175.023 177.584 -1.061 0.000 1.173 44 A CA -0.618 51.031 52.037 -0.647 0.000 0.785 44 A CB 0.992 19.659 19.000 -0.553 0.000 1.351 44 A HN 0.514 nan 8.150 nan 0.000 0.431 45 F N -0.232 119.379 119.950 -0.564 0.000 2.569 45 F HA 0.551 5.078 4.527 -0.000 0.000 0.312 45 F C -0.669 174.971 175.800 -0.267 0.000 1.109 45 F CA -0.381 57.321 58.000 -0.497 0.000 0.919 45 F CB 2.024 40.488 39.000 -0.893 0.000 1.211 45 F HN 0.629 nan 8.300 nan 0.000 0.446 46 Y N 0.014 120.325 120.300 0.018 0.000 2.409 46 Y HA 0.867 5.417 4.550 -0.000 0.000 0.343 46 Y C -0.207 175.780 175.900 0.145 0.000 0.973 46 Y CA -2.050 55.974 58.100 -0.127 0.000 1.064 46 Y CB 1.315 39.363 38.460 -0.687 0.000 1.207 46 Y HN 0.753 nan 8.280 nan 0.000 0.452 47 G N 3.873 112.821 108.800 0.246 0.000 2.364 47 G HA2 0.429 4.389 3.960 -0.000 0.000 0.267 47 G HA3 0.429 4.389 3.960 -0.000 0.000 0.267 47 G C -1.649 173.331 174.900 0.133 0.000 1.233 47 G CA -0.478 44.503 45.100 -0.199 0.000 0.885 47 G HN 0.707 nan 8.290 nan 0.000 0.490 48 L N 2.723 124.003 121.223 0.095 0.000 2.319 48 L HA 0.656 4.996 4.340 -0.000 0.000 0.281 48 L C 0.067 177.052 176.870 0.190 0.000 1.005 48 L CA -0.475 54.494 54.840 0.215 0.000 0.828 48 L CB 1.914 44.114 42.059 0.236 0.000 1.227 48 L HN 0.430 nan 8.230 nan 0.000 0.415 49 S N 2.979 118.778 115.700 0.165 0.000 2.482 49 S HA 0.715 5.185 4.470 -0.000 0.000 0.303 49 S C 0.969 175.635 174.600 0.109 0.000 1.091 49 S CA -0.021 58.273 58.200 0.157 0.000 1.057 49 S CB 1.701 64.997 63.200 0.160 0.000 1.031 49 S HN 0.828 nan 8.310 nan 0.000 0.485 50 A N 3.236 126.112 122.820 0.093 0.000 2.119 50 A HA 0.064 4.384 4.320 -0.000 0.000 0.217 50 A C 1.287 178.906 177.584 0.057 0.000 1.153 50 A CA 1.196 53.274 52.037 0.068 0.000 0.692 50 A CB -0.252 18.782 19.000 0.056 0.000 0.799 50 A HN 0.815 nan 8.150 nan 0.000 0.458 51 D N -0.540 119.899 120.400 0.065 0.000 2.380 51 D HA 0.075 4.715 4.640 -0.000 0.000 0.212 51 D C -0.469 175.861 176.300 0.050 0.000 1.021 51 D CA 0.372 54.404 54.000 0.054 0.000 0.884 51 D CB 0.210 41.045 40.800 0.058 0.000 1.001 51 D HN 0.214 nan 8.370 nan 0.000 0.506 52 D N 1.247 121.680 120.400 0.056 0.000 2.344 52 D HA 0.278 4.918 4.640 -0.000 0.000 0.239 52 D C -2.458 173.855 176.300 0.022 0.000 1.064 52 D CA -1.642 52.380 54.000 0.037 0.000 0.829 52 D CB 2.137 42.961 40.800 0.040 0.000 1.129 52 D HN -0.170 nan 8.370 nan 0.000 0.506 53 P HA -0.042 nan 4.420 nan 0.000 0.262 53 P C -0.019 177.262 177.300 -0.031 0.000 1.199 53 P CA -0.170 62.928 63.100 -0.004 0.000 0.763 53 P CB 0.587 32.281 31.700 -0.010 0.000 0.790 54 V N 4.997 124.897 119.914 -0.024 0.000 2.585 54 V HA 0.071 4.191 4.120 -0.000 0.000 0.296 54 V C -0.240 175.772 176.094 -0.136 0.000 1.035 54 V CA 0.342 62.592 62.300 -0.084 0.000 1.084 54 V CB -0.178 31.664 31.823 0.031 0.000 0.953 54 V HN 0.635 nan 8.190 nan 0.000 0.483 55 H N 6.020 124.813 119.070 -0.463 0.000 3.108 55 H HA 0.593 5.149 4.556 -0.000 0.000 0.329 55 H C -1.707 173.128 175.328 -0.822 0.000 0.978 55 H CA -0.560 55.211 56.048 -0.462 0.000 1.413 55 H CB 0.925 30.500 29.762 -0.312 0.000 1.670 55 H HN 0.522 nan 8.280 nan 0.000 0.512 56 F N 3.306 122.755 119.950 -0.836 0.000 2.565 56 F HA 0.364 4.891 4.527 -0.000 0.000 0.313 56 F C -0.588 174.575 175.800 -1.061 0.000 1.091 56 F CA -0.734 56.672 58.000 -0.989 0.000 0.915 56 F CB 1.939 40.335 39.000 -1.007 0.000 1.208 56 F HN 0.641 nan 8.300 nan 0.000 0.453 57 H N 2.917 121.460 119.070 -0.879 0.000 3.172 57 H HA 0.544 5.100 4.556 -0.000 0.000 0.322 57 H C -1.959 173.142 175.328 -0.378 0.000 1.003 57 H CA -1.290 54.423 56.048 -0.558 0.000 1.466 57 H CB 0.501 30.111 29.762 -0.253 0.000 1.673 57 H HN 0.301 nan 8.280 nan 0.000 0.512 58 F N 4.039 123.818 119.950 -0.285 0.000 2.403 58 F HA 0.410 4.937 4.527 -0.000 0.000 0.355 58 F C 0.083 175.679 175.800 -0.339 0.000 1.119 58 F CA -0.884 56.948 58.000 -0.280 0.000 1.007 58 F CB 1.451 40.342 39.000 -0.182 0.000 1.194 58 F HN 0.340 nan 8.300 nan 0.000 0.443 59 K N 2.697 122.976 120.400 -0.202 0.000 2.507 59 K HA 0.393 4.713 4.320 -0.000 0.000 0.252 59 K C -0.321 176.128 176.600 -0.251 0.000 0.943 59 K CA -0.477 55.669 56.287 -0.234 0.000 0.808 59 K CB 0.695 33.001 32.500 -0.323 0.000 1.142 59 K HN 0.679 nan 8.250 nan 0.000 0.426 60 N N 1.216 119.795 118.700 -0.201 0.000 2.754 60 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 60 N C -1.584 173.827 175.510 -0.164 0.000 1.093 60 N CA 1.198 54.085 53.050 -0.272 0.000 0.699 60 N CB -0.563 37.466 38.487 -0.764 0.000 1.016 60 N HN 0.424 nan 8.380 nan 0.000 0.552 61 S N -1.176 114.496 115.700 -0.048 0.000 2.599 61 S HA 0.678 5.148 4.470 -0.000 0.000 0.294 61 S C -0.393 174.249 174.600 0.071 0.000 1.094 61 S CA -0.665 57.528 58.200 -0.011 0.000 0.931 61 S CB 2.380 65.544 63.200 -0.059 0.000 1.093 61 S HN 0.126 nan 8.310 nan 0.000 0.488 62 S N 0.623 116.369 115.700 0.077 0.000 2.472 62 S HA 0.623 5.093 4.470 -0.000 0.000 0.303 62 S C -0.138 174.408 174.600 -0.090 0.000 1.099 62 S CA -0.662 57.639 58.200 0.169 0.000 1.077 62 S CB 0.251 63.637 63.200 0.311 0.000 1.031 62 S HN 0.614 nan 8.310 nan 0.000 0.487 63 L N 3.069 124.032 121.223 -0.432 0.000 3.069 63 L HA 0.443 4.783 4.340 -0.000 0.000 0.271 63 L C 0.871 177.497 176.870 -0.407 0.000 1.201 63 L CA -0.491 53.962 54.840 -0.644 0.000 1.015 63 L CB -0.009 41.318 42.059 -1.221 0.000 1.371 63 L HN 0.717 nan 8.230 nan 0.000 0.574 64 A N 0.951 123.728 122.820 -0.071 0.000 2.567 64 A HA 0.261 4.581 4.320 -0.000 0.000 0.263 64 A C 1.589 178.917 177.584 -0.427 0.000 1.030 64 A CA 1.164 53.155 52.037 -0.077 0.000 0.833 64 A CB -0.713 18.261 19.000 -0.044 0.000 0.924 64 A HN 0.783 nan 8.150 nan 0.000 0.518 65 G N 2.294 110.902 108.800 -0.320 0.000 2.184 65 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.264 65 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.264 65 G C 0.538 175.254 174.900 -0.307 0.000 0.975 65 G CA 0.539 45.423 45.100 -0.360 0.000 0.642 65 G HN 1.289 nan 8.290 nan 0.000 0.536 66 S N -0.482 115.004 115.700 -0.357 0.000 2.617 66 S HA 0.676 5.146 4.470 -0.000 0.000 0.269 66 S C -0.511 173.881 174.600 -0.346 0.000 1.292 66 S CA -0.096 57.932 58.200 -0.286 0.000 1.010 66 S CB 0.886 63.895 63.200 -0.320 0.000 0.944 66 S HN 0.315 nan 8.310 nan 0.000 0.536 67 Y N 0.692 120.839 120.300 -0.256 0.000 2.376 67 Y HA 0.593 5.143 4.550 -0.000 0.000 0.340 67 Y C -0.619 175.193 175.900 -0.147 0.000 0.965 67 Y CA -0.817 57.102 58.100 -0.301 0.000 1.078 67 Y CB 1.003 39.109 38.460 -0.590 0.000 1.193 67 Y HN 0.348 nan 8.280 nan 0.000 0.452 68 L N 4.741 126.022 121.223 0.098 0.000 2.386 68 L HA 0.689 5.029 4.340 -0.000 0.000 0.271 68 L C -1.319 175.782 176.870 0.386 0.000 0.993 68 L CA -0.628 54.328 54.840 0.193 0.000 0.819 68 L CB 2.102 44.237 42.059 0.127 0.000 1.294 68 L HN 0.496 nan 8.230 nan 0.000 0.414 69 L N 2.296 123.740 121.223 0.369 0.000 2.455 69 L HA 0.984 5.324 4.340 -0.000 0.000 0.264 69 L C 0.184 177.160 176.870 0.177 0.000 0.968 69 L CA 0.587 55.578 54.840 0.251 0.000 0.827 69 L CB 1.829 43.897 42.059 0.016 0.000 1.317 69 L HN 0.784 nan 8.230 nan 0.000 0.407 70 G N 3.476 112.308 108.800 0.053 0.000 2.632 70 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.224 70 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.224 70 G C -0.630 174.113 174.900 -0.261 0.000 1.341 70 G CA -0.292 44.760 45.100 -0.079 0.000 0.880 70 G HN 0.760 nan 8.290 nan 0.000 0.566 71 R N -0.274 120.135 120.500 -0.152 0.000 2.272 71 R HA 0.471 4.811 4.340 -0.000 0.000 0.334 71 R C -0.419 175.887 176.300 0.010 0.000 1.117 71 R CA -0.173 55.858 56.100 -0.115 0.000 0.966 71 R CB 0.672 30.923 30.300 -0.082 0.000 1.049 71 R HN 0.447 nan 8.270 nan 0.000 0.477 72 V N 3.538 123.467 119.914 0.026 0.000 2.623 72 V HA 0.252 4.372 4.120 -0.000 0.000 0.304 72 V C -0.563 175.640 176.094 0.180 0.000 1.054 72 V CA -1.159 61.236 62.300 0.158 0.000 0.882 72 V CB 2.113 34.113 31.823 0.296 0.000 1.002 72 V HN 0.686 nan 8.190 nan 0.000 0.424 73 N N 2.848 121.659 118.700 0.185 0.000 2.421 73 N HA 0.627 5.367 4.740 -0.000 0.000 0.285 73 N C -0.972 174.636 175.510 0.163 0.000 1.027 73 N CA -0.281 52.877 53.050 0.180 0.000 0.918 73 N CB 2.494 41.109 38.487 0.214 0.000 1.152 73 N HN 0.419 nan 8.380 nan 0.000 0.485 74 V N 3.472 123.499 119.914 0.188 0.000 2.443 74 V HA 0.486 4.606 4.120 -0.000 0.000 0.293 74 V C -0.292 175.839 176.094 0.063 0.000 1.021 74 V CA -0.688 61.699 62.300 0.145 0.000 0.848 74 V CB 1.442 33.364 31.823 0.167 0.000 0.998 74 V HN 0.415 nan 8.190 nan 0.000 0.424 75 L N 4.519 125.781 121.223 0.065 0.000 2.406 75 L HA 0.636 4.976 4.340 -0.000 0.000 0.272 75 L C 0.337 177.302 176.870 0.158 0.000 0.980 75 L CA -0.813 54.075 54.840 0.080 0.000 0.831 75 L CB 1.374 43.536 42.059 0.170 0.000 1.253 75 L HN 0.710 nan 8.230 nan 0.000 0.406 76 H N 0.320 119.409 119.070 0.031 0.000 2.713 76 H HA -0.142 4.414 4.556 -0.000 0.000 0.311 76 H C -0.312 175.047 175.328 0.051 0.000 1.175 76 H CA 0.699 56.771 56.048 0.040 0.000 1.143 76 H CB -0.817 28.967 29.762 0.038 0.000 1.434 76 H HN 0.620 nan 8.280 nan 0.000 0.418 77 S N -0.546 115.212 115.700 0.097 0.000 2.599 77 S HA 0.779 5.249 4.470 -0.000 0.000 0.294 77 S C -0.140 174.515 174.600 0.091 0.000 1.094 77 S CA -0.199 58.059 58.200 0.097 0.000 0.931 77 S CB 2.696 65.933 63.200 0.061 0.000 1.093 77 S HN 0.520 nan 8.310 nan 0.000 0.488 78 A N 2.476 125.388 122.820 0.152 0.000 2.310 78 A HA 0.698 5.018 4.320 -0.000 0.000 0.304 78 A C -1.016 176.613 177.584 0.074 0.000 1.231 78 A CA -0.564 51.599 52.037 0.209 0.000 0.799 78 A CB 0.099 19.349 19.000 0.416 0.000 1.162 78 A HN 0.729 nan 8.150 nan 0.000 0.486 79 L N 2.989 124.204 121.223 -0.013 0.000 2.294 79 L HA 0.362 4.702 4.340 -0.000 0.000 0.283 79 L C -1.049 175.737 176.870 -0.140 0.000 1.015 79 L CA -0.568 54.181 54.840 -0.153 0.000 0.831 79 L CB 1.100 43.034 42.059 -0.208 0.000 1.217 79 L HN 0.781 nan 8.230 nan 0.000 0.420 80 Y N 4.600 124.693 120.300 -0.345 0.000 2.402 80 Y HA 0.236 4.786 4.550 -0.000 0.000 0.332 80 Y C 0.575 176.233 175.900 -0.404 0.000 0.960 80 Y CA -0.870 56.979 58.100 -0.418 0.000 1.228 80 Y CB 0.655 38.867 38.460 -0.413 0.000 1.120 80 Y HN 0.565 nan 8.280 nan 0.000 0.491 81 K N 2.601 122.508 120.400 -0.823 0.000 3.071 81 K HA -0.186 4.134 4.320 -0.000 0.000 0.265 81 K C -0.262 176.092 176.600 -0.411 0.000 1.060 81 K CA 0.993 56.873 56.287 -0.678 0.000 0.767 81 K CB -1.472 30.477 32.500 -0.919 0.000 1.241 81 K HN 0.598 nan 8.250 nan 0.000 0.486 82 S N 0.351 115.853 115.700 -0.329 0.000 2.707 82 S HA 0.330 4.800 4.470 -0.000 0.000 0.276 82 S C -0.241 174.258 174.600 -0.168 0.000 1.179 82 S CA -0.845 57.205 58.200 -0.250 0.000 0.992 82 S CB 1.534 64.590 63.200 -0.239 0.000 1.030 82 S HN 0.250 nan 8.310 nan 0.000 0.554 83 D N 1.170 121.480 120.400 -0.151 0.000 2.542 83 D HA 0.347 4.987 4.640 -0.000 0.000 0.252 83 D C -1.330 174.917 176.300 -0.087 0.000 1.222 83 D CA -0.417 53.520 54.000 -0.106 0.000 0.895 83 D CB 0.540 41.250 40.800 -0.150 0.000 1.207 83 D HN 0.178 nan 8.370 nan 0.000 0.558 84 I N 3.959 124.504 120.570 -0.041 0.000 2.328 84 I HA 0.351 4.521 4.170 -0.000 0.000 0.287 84 I C 0.332 176.473 176.117 0.041 0.000 1.012 84 I CA -0.490 60.797 61.300 -0.021 0.000 1.195 84 I CB 0.826 38.820 38.000 -0.010 0.000 1.350 84 I HN 0.176 nan 8.210 nan 0.000 0.464 85 R N 4.194 124.712 120.500 0.029 0.000 2.310 85 R HA 0.395 4.735 4.340 -0.000 0.000 0.316 85 R C 0.727 177.134 176.300 0.178 0.000 1.004 85 R CA -0.234 55.906 56.100 0.067 0.000 0.900 85 R CB 1.827 32.064 30.300 -0.105 0.000 1.152 85 R HN 0.823 nan 8.270 nan 0.000 0.513 86 G N 1.695 110.579 108.800 0.140 0.000 3.523 86 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.270 86 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.270 86 G C 0.672 175.651 174.900 0.131 0.000 1.134 86 G CA -0.303 44.878 45.100 0.135 0.000 0.825 86 G HN 0.524 nan 8.290 nan 0.000 0.534 87 D N 0.213 120.715 120.400 0.171 0.000 2.310 87 D HA -0.103 4.537 4.640 -0.000 0.000 0.212 87 D C 1.373 177.750 176.300 0.128 0.000 0.965 87 D CA 0.735 54.821 54.000 0.143 0.000 0.879 87 D CB 0.018 40.912 40.800 0.158 0.000 0.921 87 D HN 0.451 nan 8.370 nan 0.000 0.510 88 E N -0.345 119.941 120.200 0.143 0.000 2.538 88 E HA 0.214 4.564 4.350 -0.000 0.000 0.207 88 E C 0.221 176.863 176.600 0.070 0.000 1.002 88 E CA -0.379 56.073 56.400 0.088 0.000 0.952 88 E CB 0.706 30.420 29.700 0.024 0.000 1.031 88 E HN 0.264 nan 8.360 nan 0.000 0.476 89 L N 1.955 123.230 121.223 0.087 0.000 2.483 89 L HA 0.078 4.418 4.340 -0.000 0.000 0.276 89 L C 0.622 177.511 176.870 0.033 0.000 1.213 89 L CA 0.455 55.335 54.840 0.067 0.000 0.843 89 L CB 0.310 42.413 42.059 0.073 0.000 1.107 89 L HN -0.072 nan 8.230 nan 0.000 0.487 90 K N 2.355 122.760 120.400 0.008 0.000 2.107 90 K HA 0.461 4.781 4.320 -0.000 0.000 0.251 90 K C -0.478 176.120 176.600 -0.004 0.000 1.012 90 K CA -0.584 55.704 56.287 0.002 0.000 0.920 90 K CB 0.941 33.434 32.500 -0.012 0.000 1.033 90 K HN 0.463 nan 8.250 nan 0.000 0.478 91 R N 0.765 121.264 120.500 -0.001 0.000 2.832 91 R HA 0.203 4.543 4.340 -0.000 0.000 0.271 91 R C -0.638 175.653 176.300 -0.016 0.000 0.996 91 R CA -0.976 55.119 56.100 -0.008 0.000 0.977 91 R CB 1.451 31.752 30.300 0.001 0.000 1.168 91 R HN 0.420 nan 8.270 nan 0.000 0.482 92 K N 0.794 121.183 120.400 -0.019 0.000 2.491 92 K HA -0.049 4.271 4.320 -0.000 0.000 0.279 92 K C 0.446 177.031 176.600 -0.026 0.000 1.026 92 K CA 1.543 57.820 56.287 -0.017 0.000 1.070 92 K CB 0.182 32.677 32.500 -0.008 0.000 0.887 92 K HN 0.816 nan 8.250 nan 0.000 0.481 93 G N 2.630 111.398 108.800 -0.055 0.000 2.232 93 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.226 93 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.226 93 G C 0.175 174.981 174.900 -0.156 0.000 0.996 93 G CA 0.052 45.096 45.100 -0.094 0.000 0.626 93 G HN 0.660 nan 8.290 nan 0.000 0.509 94 Q N -0.412 119.334 119.800 -0.091 0.000 2.631 94 Q HA 0.502 4.842 4.340 -0.000 0.000 0.210 94 Q C -0.374 175.531 176.000 -0.159 0.000 1.094 94 Q CA 0.222 55.996 55.803 -0.048 0.000 1.055 94 Q CB 0.308 29.052 28.738 0.011 0.000 1.261 94 Q HN 0.603 nan 8.270 nan 0.000 0.615 95 H N 0.158 119.231 119.070 0.004 0.000 3.092 95 H HA 0.193 4.749 4.556 -0.000 0.000 0.308 95 H C -1.283 174.022 175.328 -0.039 0.000 1.047 95 H CA -0.545 55.471 56.048 -0.052 0.000 1.466 95 H CB 0.341 30.051 29.762 -0.086 0.000 1.597 95 H HN 0.416 nan 8.280 nan 0.000 0.512 96 F N 2.000 121.959 119.950 0.016 0.000 2.543 96 F HA 0.485 5.012 4.527 -0.000 0.000 0.375 96 F C -0.109 175.693 175.800 0.003 0.000 1.075 96 F CA -1.087 56.896 58.000 -0.028 0.000 1.225 96 F CB -0.329 38.621 39.000 -0.084 0.000 1.099 96 F HN 0.271 nan 8.300 nan 0.000 0.561 97 V N 4.215 124.144 119.914 0.026 0.000 2.432 97 V HA 0.626 4.746 4.120 -0.000 0.000 0.271 97 V C 0.294 176.397 176.094 0.015 0.000 1.046 97 V CA -0.025 62.245 62.300 -0.050 0.000 0.945 97 V CB 0.119 31.928 31.823 -0.022 0.000 0.992 97 V HN 1.580 nan 8.190 nan 0.000 0.471 104 P HA 0.709 nan 4.420 nan 0.000 0.282 104 P C -1.100 176.098 177.300 -0.170 0.000 1.259 104 P CA -0.422 62.479 63.100 -0.331 0.000 0.826 104 P CB 1.424 32.991 31.700 -0.221 0.000 1.064 105 L N 2.992 124.140 121.223 -0.124 0.000 2.349 105 L HA 0.174 4.514 4.340 -0.000 0.000 0.275 105 L C 1.726 178.560 176.870 -0.060 0.000 1.115 105 L CA 0.351 55.124 54.840 -0.112 0.000 0.820 105 L CB -0.361 41.672 42.059 -0.044 0.000 1.135 105 L HN 0.405 nan 8.230 nan 0.000 0.445 106 H N 0.104 119.168 119.070 -0.010 0.000 2.553 106 H HA 0.348 4.904 4.556 -0.000 0.000 0.265 106 H C -0.455 174.854 175.328 -0.033 0.000 0.964 106 H CA 0.048 56.082 56.048 -0.024 0.000 1.156 106 H CB 0.350 30.105 29.762 -0.012 0.000 1.411 106 H HN 0.489 nan 8.280 nan 0.000 0.558 107 D N 0.221 120.653 120.400 0.054 0.000 2.609 107 D HA 0.080 4.720 4.640 -0.000 0.000 0.239 107 D C -0.743 175.540 176.300 -0.029 0.000 1.229 107 D CA -0.595 53.407 54.000 0.003 0.000 0.808 107 D CB 2.434 43.228 40.800 -0.010 0.000 1.448 107 D HN -0.100 nan 8.370 nan 0.000 0.433 108 D N 1.142 121.517 120.400 -0.041 0.000 2.506 108 D HA -0.013 4.627 4.640 -0.000 0.000 0.234 108 D C 0.373 176.639 176.300 -0.058 0.000 1.143 108 D CA 0.696 54.666 54.000 -0.050 0.000 0.871 108 D CB 0.679 41.439 40.800 -0.066 0.000 1.190 108 D HN 0.260 nan 8.370 nan 0.000 0.459 109 E N 0.860 121.035 120.200 -0.042 0.000 2.354 109 E HA 0.309 4.659 4.350 -0.000 0.000 0.269 109 E C -1.111 175.477 176.600 -0.020 0.000 1.036 109 E CA -0.537 55.845 56.400 -0.029 0.000 0.876 109 E CB 0.774 30.465 29.700 -0.015 0.000 1.009 109 E HN 0.072 nan 8.360 nan 0.000 0.416 110 V N 5.474 125.383 119.914 -0.009 0.000 2.735 110 V HA 0.342 4.462 4.120 -0.000 0.000 0.310 110 V C -0.008 176.114 176.094 0.048 0.000 1.061 110 V CA -0.801 61.494 62.300 -0.009 0.000 0.913 110 V CB 1.822 33.603 31.823 -0.070 0.000 1.005 110 V HN 0.662 nan 8.190 nan 0.000 0.428 111 I N 2.871 123.459 120.570 0.030 0.000 2.395 111 I HA 0.346 4.516 4.170 -0.000 0.000 0.289 111 I C 0.103 176.221 176.117 0.003 0.000 1.023 111 I CA 0.371 61.647 61.300 -0.040 0.000 1.350 111 I CB 1.324 39.228 38.000 -0.160 0.000 1.409 111 I HN 0.601 nan 8.210 nan 0.000 0.507 112 T N 7.410 121.964 114.554 -0.001 0.000 2.815 112 T HA 0.548 4.898 4.350 -0.000 0.000 0.289 112 T C -0.188 174.518 174.700 0.009 0.000 1.000 112 T CA -0.352 61.770 62.100 0.036 0.000 0.958 112 T CB 0.747 69.652 68.868 0.062 0.000 0.944 112 T HN 0.245 nan 8.240 nan 0.000 0.442 113 I N 3.385 123.964 120.570 0.016 0.000 2.354 113 I HA 0.534 4.704 4.170 -0.000 0.000 0.292 113 I C 0.078 176.225 176.117 0.052 0.000 0.989 113 I CA -0.664 60.642 61.300 0.009 0.000 1.188 113 I CB 1.380 39.368 38.000 -0.019 0.000 1.342 113 I HN 0.315 nan 8.210 nan 0.000 0.457 114 K N 5.793 126.229 120.400 0.060 0.000 2.553 114 K HA 0.205 4.525 4.320 -0.000 0.000 0.250 114 K C -1.032 175.621 176.600 0.088 0.000 0.953 114 K CA -0.467 55.874 56.287 0.090 0.000 0.800 114 K CB 1.321 33.873 32.500 0.086 0.000 1.243 114 K HN 0.585 nan 8.250 nan 0.000 0.435 115 D N 1.419 121.890 120.400 0.118 0.000 2.751 115 D HA -0.140 4.500 4.640 -0.000 0.000 0.233 115 D C -1.023 175.343 176.300 0.110 0.000 1.149 115 D CA 1.311 55.377 54.000 0.110 0.000 0.682 115 D CB -0.906 39.934 40.800 0.066 0.000 1.068 115 D HN 0.459 nan 8.370 nan 0.000 0.429 116 S N -0.504 115.266 115.700 0.117 0.000 2.638 116 S HA 0.753 5.223 4.470 -0.000 0.000 0.302 116 S C -0.527 174.189 174.600 0.194 0.000 1.096 116 S CA -0.835 57.444 58.200 0.132 0.000 0.953 116 S CB 2.337 65.579 63.200 0.071 0.000 1.107 116 S HN 0.207 nan 8.310 nan 0.000 0.503 117 F N 2.129 122.106 119.950 0.044 0.000 2.496 117 F HA 0.605 5.132 4.527 -0.000 0.000 0.341 117 F C -1.712 174.105 175.800 0.029 0.000 1.134 117 F CA -0.786 57.248 58.000 0.055 0.000 0.968 117 F CB 0.470 39.520 39.000 0.082 0.000 1.205 117 F HN 0.365 nan 8.300 nan 0.000 0.436 118 L N 6.033 126.925 121.223 -0.552 0.000 2.343 118 L HA 0.423 4.763 4.340 -0.000 0.000 0.278 118 L C -0.830 175.682 176.870 -0.597 0.000 0.996 118 L CA -0.751 53.815 54.840 -0.457 0.000 0.831 118 L CB 1.616 43.520 42.059 -0.258 0.000 1.232 118 L HN 0.532 nan 8.230 nan 0.000 0.413 119 N N 4.158 122.544 118.700 -0.522 0.000 2.476 119 N HA 0.211 4.951 4.740 -0.000 0.000 0.257 119 N C -0.281 175.049 175.510 -0.299 0.000 0.970 119 N CA -0.398 52.440 53.050 -0.352 0.000 0.938 119 N CB 0.946 39.303 38.487 -0.217 0.000 1.144 119 N HN 0.468 nan 8.380 nan 0.000 0.500 120 K N 0.644 120.842 120.400 -0.336 0.000 3.071 120 K HA -0.157 4.163 4.320 -0.000 0.000 0.262 120 K C -0.666 175.670 176.600 -0.440 0.000 0.977 120 K CA 0.821 56.823 56.287 -0.476 0.000 0.721 120 K CB -1.486 30.568 32.500 -0.743 0.000 1.293 120 K HN 0.541 nan 8.250 nan 0.000 0.475 121 T N 0.863 115.232 114.554 -0.308 0.000 2.875 121 T HA 0.426 4.776 4.350 -0.000 0.000 0.284 121 T C -0.341 174.256 174.700 -0.171 0.000 0.995 121 T CA -0.748 61.219 62.100 -0.221 0.000 1.060 121 T CB 1.319 70.067 68.868 -0.199 0.000 0.967 121 T HN 0.181 nan 8.240 nan 0.000 0.476 122 L N 4.850 126.004 121.223 -0.115 0.000 2.280 122 L HA 0.584 4.924 4.340 -0.000 0.000 0.287 122 L C -0.903 175.939 176.870 -0.047 0.000 1.023 122 L CA -0.427 54.356 54.840 -0.094 0.000 0.819 122 L CB 0.868 42.876 42.059 -0.085 0.000 1.212 122 L HN 0.409 nan 8.230 nan 0.000 0.420 123 V N 6.007 125.892 119.914 -0.049 0.000 2.394 123 V HA 0.519 4.639 4.120 -0.000 0.000 0.282 123 V C -0.200 175.968 176.094 0.124 0.000 1.031 123 V CA -0.450 61.853 62.300 0.006 0.000 0.881 123 V CB 1.044 32.797 31.823 -0.116 0.000 0.982 123 V HN 0.884 nan 8.190 nan 0.000 0.451 124 H N 2.191 121.320 119.070 0.098 0.000 2.933 124 H HA 0.528 5.084 4.556 -0.000 0.000 0.310 124 H C 0.350 175.746 175.328 0.113 0.000 1.351 124 H CA 0.224 56.352 56.048 0.134 0.000 1.137 124 H CB 2.209 32.052 29.762 0.134 0.000 1.853 124 H HN 0.793 nan 8.280 nan 0.000 0.539 125 S N 0.072 115.614 115.700 -0.264 0.000 3.426 125 S HA -0.305 4.164 4.470 -0.000 0.000 0.630 125 S C -0.554 174.067 174.600 0.036 0.000 2.670 125 S CA 1.574 59.617 58.200 -0.262 0.000 3.374 125 S CB -1.181 61.675 63.200 -0.573 0.000 0.296 125 S HN 1.094 nan 8.310 nan 0.000 1.445 126 N N -0.320 118.321 118.700 -0.099 0.000 3.243 126 N HA 0.539 5.279 4.740 -0.000 0.000 0.280 126 N C -1.064 174.129 175.510 -0.528 0.000 1.545 126 N CA 0.003 52.931 53.050 -0.204 0.000 0.854 126 N CB 1.271 39.707 38.487 -0.086 0.000 1.612 126 N HN 0.759 nan 8.380 nan 0.000 0.577 127 S N -1.241 114.153 115.700 -0.510 0.000 2.516 127 S HA 0.136 4.606 4.470 -0.000 0.000 0.282 127 S C -0.532 173.851 174.600 -0.362 0.000 1.286 127 S CA 0.061 57.992 58.200 -0.448 0.000 1.066 127 S CB -0.409 62.613 63.200 -0.296 0.000 0.884 127 S HN 0.592 nan 8.310 nan 0.000 0.491 128 H N 1.999 120.892 119.070 -0.295 0.000 2.581 128 H HA 0.385 4.941 4.556 -0.000 0.000 0.275 128 H C -0.702 174.532 175.328 -0.156 0.000 1.126 128 H CA -0.347 55.591 56.048 -0.184 0.000 1.097 128 H CB 0.386 30.055 29.762 -0.155 0.000 1.626 128 H HN 0.476 nan 8.280 nan 0.000 0.565 129 D N 1.056 121.382 120.400 -0.124 0.000 2.280 129 D HA 0.123 4.763 4.640 -0.000 0.000 0.236 129 D C -1.898 174.271 176.300 -0.219 0.000 1.082 129 D CA -2.384 51.539 54.000 -0.127 0.000 0.834 129 D CB 2.160 42.891 40.800 -0.115 0.000 1.100 129 D HN 0.064 nan 8.370 nan 0.000 0.486 130 P HA 0.049 nan 4.420 nan 0.000 0.249 130 P C 0.630 177.805 177.300 -0.207 0.000 1.241 130 P CA 0.337 63.302 63.100 -0.226 0.000 0.781 130 P CB 0.618 32.366 31.700 0.079 0.000 1.088 131 E N -0.480 119.622 120.200 -0.164 0.000 2.318 131 E HA 0.057 4.407 4.350 -0.000 0.000 0.193 131 E C 0.477 176.986 176.600 -0.151 0.000 0.998 131 E CA 0.381 56.711 56.400 -0.117 0.000 0.859 131 E CB 0.210 29.862 29.700 -0.081 0.000 0.812 131 E HN -0.079 nan 8.360 nan 0.000 0.492 132 S N -0.077 115.494 115.700 -0.216 0.000 2.512 132 S HA 0.218 4.687 4.470 -0.000 0.000 0.161 132 S C -2.331 172.095 174.600 -0.290 0.000 1.383 132 S CA -1.092 56.990 58.200 -0.195 0.000 1.248 132 S CB 0.455 63.592 63.200 -0.105 0.000 1.488 132 S HN 0.019 nan 8.310 nan 0.000 0.382 133 P HA 0.039 nan 4.420 nan 0.000 0.222 133 P C 0.555 177.672 177.300 -0.305 0.000 1.153 133 P CA 0.924 63.668 63.100 -0.593 0.000 0.798 133 P CB 0.184 31.176 31.700 -1.179 0.000 0.796 134 E N -0.816 119.255 120.200 -0.214 0.000 2.481 134 E HA 0.134 4.484 4.350 -0.000 0.000 0.198 134 E C 0.169 176.730 176.600 -0.064 0.000 1.027 134 E CA 0.027 56.356 56.400 -0.118 0.000 0.900 134 E CB 0.363 30.003 29.700 -0.100 0.000 0.993 134 E HN 0.265 nan 8.360 nan 0.000 0.482 135 E N 0.702 120.869 120.200 -0.055 0.000 2.317 135 E HA 0.107 4.457 4.350 -0.000 0.000 0.270 135 E C -1.550 175.107 176.600 0.095 0.000 0.899 135 E CA -0.512 55.900 56.400 0.020 0.000 0.814 135 E CB 0.774 30.478 29.700 0.006 0.000 1.296 135 E HN -0.057 nan 8.360 nan 0.000 0.404 136 F N 5.198 125.123 119.950 -0.043 0.000 2.451 136 F HA 0.256 4.783 4.527 -0.000 0.000 0.356 136 F C -0.269 175.528 175.800 -0.004 0.000 1.178 136 F CA -0.712 57.273 58.000 -0.025 0.000 1.210 136 F CB -0.236 38.753 39.000 -0.017 0.000 1.504 136 F HN 0.224 nan 8.300 nan 0.000 0.598 137 T N 3.979 118.730 114.554 0.327 0.000 2.837 137 T HA 0.689 5.039 4.350 -0.000 0.000 0.285 137 T C -0.139 174.655 174.700 0.155 0.000 0.984 137 T CA -0.623 61.573 62.100 0.160 0.000 1.049 137 T CB 1.625 70.557 68.868 0.106 0.000 0.947 137 T HN 0.403 nan 8.240 nan 0.000 0.472 138 I N 4.052 124.653 120.570 0.051 0.000 2.466 138 I HA 0.419 4.589 4.170 -0.000 0.000 0.279 138 I C 0.165 176.303 176.117 0.035 0.000 1.033 138 I CA -0.872 60.448 61.300 0.033 0.000 1.123 138 I CB 0.798 38.773 38.000 -0.042 0.000 1.237 138 I HN 0.691 nan 8.210 nan 0.000 0.460 139 R N 3.750 124.281 120.500 0.051 0.000 2.673 139 R HA 0.551 4.891 4.340 -0.000 0.000 0.281 139 R C -0.564 175.765 176.300 0.048 0.000 0.991 139 R CA -0.934 55.198 56.100 0.052 0.000 0.896 139 R CB 1.004 31.338 30.300 0.056 0.000 1.201 139 R HN 0.392 nan 8.270 nan 0.000 0.457 140 N N -0.088 118.644 118.700 0.053 0.000 2.716 140 N HA -0.147 4.593 4.740 -0.000 0.000 0.250 140 N C -1.315 174.232 175.510 0.062 0.000 1.033 140 N CA 1.658 54.740 53.050 0.054 0.000 0.727 140 N CB -0.990 37.516 38.487 0.032 0.000 0.950 140 N HN 0.740 nan 8.380 nan 0.000 0.541 141 T N -0.603 113.994 114.554 0.072 0.000 2.856 141 T HA 0.635 4.985 4.350 -0.000 0.000 0.283 141 T C 0.128 174.893 174.700 0.109 0.000 1.008 141 T CA -0.542 61.599 62.100 0.069 0.000 0.997 141 T CB 2.593 71.480 68.868 0.031 0.000 0.992 141 T HN -0.113 nan 8.240 nan 0.000 0.454 142 V N 2.331 122.320 119.914 0.125 0.000 2.448 142 V HA 0.832 4.952 4.120 -0.000 0.000 0.295 142 V C 0.054 176.099 176.094 -0.082 0.000 1.025 142 V CA -0.514 61.889 62.300 0.173 0.000 0.859 142 V CB 1.248 33.293 31.823 0.369 0.000 0.988 142 V HN 1.127 nan 8.190 nan 0.000 0.431 146 Y N -1.006 119.073 120.300 -0.369 0.000 4.841 146 Y HA -0.134 4.416 4.550 -0.000 0.000 0.242 146 Y C 0.913 176.579 175.900 -0.389 0.000 1.002 146 Y CA 0.343 58.112 58.100 -0.552 0.000 2.011 146 Y CB -2.292 35.411 38.460 -1.262 0.000 1.554 146 Y HN 0.641 nan 8.280 nan 0.000 0.618 147 A N 0.984 123.712 122.820 -0.153 0.000 2.520 147 A HA 0.379 4.699 4.320 -0.000 0.000 0.235 147 A C 0.534 178.101 177.584 -0.028 0.000 1.065 147 A CA 0.136 52.141 52.037 -0.053 0.000 0.764 147 A CB 0.172 19.115 19.000 -0.095 0.000 1.002 147 A HN 0.360 nan 8.150 nan 0.000 0.502 148 N N 1.088 119.792 118.700 0.007 0.000 2.407 148 N HA 0.393 5.133 4.740 -0.000 0.000 0.277 148 N C -1.270 174.234 175.510 -0.011 0.000 0.995 148 N CA -0.115 52.939 53.050 0.007 0.000 0.903 148 N CB 1.594 40.068 38.487 -0.022 0.000 1.218 148 N HN 0.537 nan 8.380 nan 0.000 0.487 149 I N 2.551 123.139 120.570 0.031 0.000 2.361 149 I HA 0.069 4.239 4.170 -0.000 0.000 0.282 149 I C 0.107 176.332 176.117 0.180 0.000 1.075 149 I CA -0.318 61.025 61.300 0.071 0.000 1.205 149 I CB 0.257 38.294 38.000 0.062 0.000 1.406 149 I HN 0.333 nan 8.210 nan 0.000 0.481 150 H N 6.219 125.308 119.070 0.032 0.000 2.690 150 H HA 0.238 4.794 4.556 -0.000 0.000 0.280 150 H C 0.865 176.201 175.328 0.013 0.000 1.138 150 H CA 0.281 56.382 56.048 0.088 0.000 1.241 150 H CB 1.125 30.920 29.762 0.055 0.000 1.394 150 H HN 0.853 nan 8.280 nan 0.000 0.489 151 G N 4.224 112.856 108.800 -0.281 0.000 2.198 151 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.260 151 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.260 151 G C -0.395 174.274 174.900 -0.384 0.000 1.025 151 G CA 0.591 45.438 45.100 -0.422 0.000 0.769 151 G HN 0.563 nan 8.290 nan 0.000 0.507 152 S N -0.201 115.356 115.700 -0.238 0.000 2.640 152 S HA 0.593 5.063 4.470 -0.000 0.000 0.320 152 S C 0.087 174.723 174.600 0.060 0.000 1.097 152 S CA -0.692 57.444 58.200 -0.106 0.000 1.092 152 S CB 1.469 64.642 63.200 -0.046 0.000 0.988 152 S HN 0.389 nan 8.310 nan 0.000 0.470 153 L N 4.045 125.261 121.223 -0.012 0.000 2.513 153 L HA 0.268 4.608 4.340 -0.000 0.000 0.272 153 L C 1.030 177.962 176.870 0.104 0.000 1.187 153 L CA 0.726 55.636 54.840 0.117 0.000 0.895 153 L CB 0.158 42.244 42.059 0.045 0.000 1.147 153 L HN 0.747 nan 8.230 nan 0.000 0.483 154 T N 0.416 115.048 114.554 0.130 0.000 2.876 154 T HA 0.779 5.129 4.350 -0.000 0.000 0.289 154 T C -0.665 174.083 174.700 0.079 0.000 1.014 154 T CA -0.868 61.281 62.100 0.082 0.000 0.986 154 T CB 2.107 71.007 68.868 0.053 0.000 1.021 154 T HN 0.515 nan 8.240 nan 0.000 0.458 155 E N 1.142 121.379 120.200 0.062 0.000 2.307 155 E HA 0.512 4.862 4.350 -0.000 0.000 0.280 155 E C 0.441 177.000 176.600 -0.069 0.000 0.900 155 E CA 0.097 56.519 56.400 0.037 0.000 0.790 155 E CB 0.761 30.539 29.700 0.129 0.000 1.261 155 E HN 1.399 nan 8.360 nan 0.000 0.405 156 G N 2.725 111.497 108.800 -0.047 0.000 2.246 156 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.273 156 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.273 156 G C -0.176 174.698 174.900 -0.044 0.000 1.055 156 G CA 0.612 45.672 45.100 -0.068 0.000 0.851 156 G HN 0.552 nan 8.290 nan 0.000 0.500 157 S N -1.396 114.306 115.700 0.003 0.000 2.667 157 S HA 0.813 5.283 4.470 -0.000 0.000 0.292 157 S C -1.009 173.642 174.600 0.084 0.000 1.126 157 S CA -0.706 57.508 58.200 0.023 0.000 0.881 157 S CB 2.216 65.415 63.200 -0.001 0.000 1.132 157 S HN 0.877 nan 8.310 nan 0.000 0.492 158 F N 2.512 122.397 119.950 -0.109 0.000 2.477 158 F HA 0.633 5.160 4.527 -0.000 0.000 0.335 158 F C -1.533 174.199 175.800 -0.113 0.000 1.130 158 F CA -0.863 57.063 58.000 -0.124 0.000 0.948 158 F CB 0.669 39.505 39.000 -0.274 0.000 1.154 158 F HN 0.288 nan 8.300 nan 0.000 0.439 159 I N 6.012 126.173 120.570 -0.682 0.000 2.382 159 I HA 0.362 4.532 4.170 -0.000 0.000 0.285 159 I C 0.725 176.454 176.117 -0.646 0.000 1.007 159 I CA -0.548 60.475 61.300 -0.462 0.000 1.142 159 I CB 0.621 38.481 38.000 -0.233 0.000 1.289 159 I HN 0.702 nan 8.210 nan 0.000 0.453 160 G N 3.602 112.193 108.800 -0.348 0.000 2.616 160 G HA2 0.203 4.163 3.960 -0.000 0.000 0.268 160 G HA3 0.203 4.163 3.960 -0.000 0.000 0.268 160 G C -0.009 174.952 174.900 0.102 0.000 1.213 160 G CA -0.327 44.728 45.100 -0.074 0.000 0.926 160 G HN 0.562 nan 8.290 nan 0.000 0.523 161 S N -0.983 114.879 115.700 0.270 0.000 2.498 161 S HA 0.217 4.687 4.470 -0.000 0.000 0.281 161 S C 0.451 175.370 174.600 0.532 0.000 1.265 161 S CA 0.007 58.393 58.200 0.310 0.000 1.071 161 S CB -0.718 62.703 63.200 0.368 0.000 0.894 161 S HN 0.777 nan 8.310 nan 0.000 0.491 162 F N 0.688 120.801 119.950 0.271 0.000 2.840 162 F HA -0.259 4.268 4.527 -0.000 0.000 0.310 162 F C 0.910 176.883 175.800 0.288 0.000 0.688 162 F CA 0.651 58.832 58.000 0.302 0.000 1.286 162 F CB -2.054 37.188 39.000 0.404 0.000 1.612 162 F HN 0.722 nan 8.300 nan 0.000 0.335 163 A N 0.134 123.188 122.820 0.390 0.000 2.425 163 A HA 0.614 4.934 4.320 -0.000 0.000 0.242 163 A C 0.634 178.346 177.584 0.213 0.000 1.077 163 A CA 0.882 53.108 52.037 0.315 0.000 0.781 163 A CB 0.358 19.462 19.000 0.173 0.000 1.020 163 A HN 0.231 nan 8.150 nan 0.000 0.494 164 T N 1.193 115.830 114.554 0.139 0.000 2.879 164 T HA 0.508 4.858 4.350 -0.000 0.000 0.290 164 T C -0.558 173.986 174.700 -0.259 0.000 0.993 164 T CA -0.298 61.770 62.100 -0.053 0.000 0.975 164 T CB 1.099 69.979 68.868 0.019 0.000 0.981 164 T HN 1.240 nan 8.240 nan 0.000 0.439 165 V N 0.617 120.392 119.914 -0.232 0.000 2.357 165 V HA 0.743 4.863 4.120 -0.000 0.000 0.284 165 V C -0.899 175.045 176.094 -0.250 0.000 1.018 165 V CA -0.759 61.384 62.300 -0.262 0.000 0.841 165 V CB 1.398 33.135 31.823 -0.144 0.000 0.991 165 V HN 0.732 nan 8.190 nan 0.000 0.437 166 D N 4.688 124.880 120.400 -0.347 0.000 2.408 166 D HA 0.596 5.236 4.640 -0.000 0.000 0.243 166 D C 0.710 176.904 176.300 -0.176 0.000 1.075 166 D CA -0.500 53.389 54.000 -0.185 0.000 0.832 166 D CB 1.366 42.070 40.800 -0.160 0.000 1.162 166 D HN 0.725 nan 8.370 nan 0.000 0.515 167 L N 1.360 122.463 121.223 -0.201 0.000 4.137 167 L HA -0.266 4.074 4.340 -0.000 0.000 0.421 167 L C -0.336 176.393 176.870 -0.235 0.000 1.162 167 L CA 0.526 55.137 54.840 -0.383 0.000 0.978 167 L CB -2.186 39.632 42.059 -0.401 0.000 1.957 167 L HN 0.229 nan 8.230 nan 0.000 0.978 168 S N -1.469 114.119 115.700 -0.186 0.000 2.566 168 S HA 0.593 5.063 4.470 -0.000 0.000 0.298 168 S C 0.224 174.763 174.600 -0.102 0.000 1.083 168 S CA -0.570 57.544 58.200 -0.144 0.000 0.978 168 S CB 2.293 65.390 63.200 -0.172 0.000 1.073 168 S HN 0.106 nan 8.310 nan 0.000 0.491 169 T N 3.228 117.736 114.554 -0.077 0.000 2.738 169 T HA 0.397 4.747 4.350 -0.000 0.000 0.298 169 T C -0.285 174.410 174.700 -0.008 0.000 0.962 169 T CA -0.317 61.761 62.100 -0.036 0.000 0.972 169 T CB -0.206 68.640 68.868 -0.037 0.000 0.928 169 T HN 0.328 nan 8.240 nan 0.000 0.474 170 I N 4.218 124.801 120.570 0.022 0.000 2.339 170 I HA 0.338 4.508 4.170 -0.000 0.000 0.290 170 I C -0.071 176.109 176.117 0.106 0.000 0.994 170 I CA -0.565 60.759 61.300 0.040 0.000 1.191 170 I CB 0.927 38.930 38.000 0.006 0.000 1.343 170 I HN 0.705 nan 8.210 nan 0.000 0.458 171 H N 6.835 125.906 119.070 0.002 0.000 2.924 171 H HA 0.348 4.904 4.556 -0.000 0.000 0.333 171 H C -0.111 175.233 175.328 0.027 0.000 0.979 171 H CA -0.146 55.912 56.048 0.016 0.000 1.326 171 H CB 0.727 30.496 29.762 0.012 0.000 1.600 171 H HN 0.511 nan 8.280 nan 0.000 0.520 172 N N 2.203 120.716 118.700 -0.312 0.000 2.721 172 N HA -0.193 4.547 4.740 -0.000 0.000 0.249 172 N C -1.064 174.423 175.510 -0.038 0.000 1.072 172 N CA 1.424 54.364 53.050 -0.183 0.000 0.710 172 N CB -1.154 37.221 38.487 -0.187 0.000 0.993 172 N HN 0.447 nan 8.380 nan 0.000 0.547 173 S N -0.939 114.745 115.700 -0.026 0.000 2.600 173 S HA 0.724 5.194 4.470 -0.000 0.000 0.300 173 S C 0.033 174.607 174.600 -0.044 0.000 1.087 173 S CA -0.729 57.465 58.200 -0.009 0.000 0.965 173 S CB 2.874 66.089 63.200 0.026 0.000 1.089 173 S HN -0.005 nan 8.310 nan 0.000 0.496 174 V N 2.477 122.341 119.914 -0.084 0.000 2.384 174 V HA 0.458 4.578 4.120 -0.000 0.000 0.287 174 V C -0.728 175.352 176.094 -0.024 0.000 1.020 174 V CA -0.584 61.628 62.300 -0.148 0.000 0.850 174 V CB 1.445 32.974 31.823 -0.489 0.000 0.987 174 V HN 0.650 nan 8.190 nan 0.000 0.436 175 V N 6.514 126.455 119.914 0.046 0.000 2.334 175 V HA 0.467 4.587 4.120 -0.000 0.000 0.281 175 V C 0.513 176.681 176.094 0.123 0.000 1.016 175 V CA -0.673 61.669 62.300 0.070 0.000 0.832 175 V CB 1.227 33.072 31.823 0.037 0.000 0.999 175 V HN 0.811 nan 8.190 nan 0.000 0.439 176 R N 2.591 123.173 120.500 0.136 0.000 2.571 176 R HA 0.405 4.745 4.340 -0.000 0.000 0.259 176 R C -0.408 176.014 176.300 0.203 0.000 1.226 176 R CA -0.626 55.585 56.100 0.185 0.000 1.157 176 R CB 0.607 30.953 30.300 0.075 0.000 1.220 176 R HN 0.742 nan 8.270 nan 0.000 0.605 177 Y N -1.030 119.454 120.300 0.306 0.000 2.620 177 Y HA 0.054 4.604 4.550 -0.000 0.000 0.330 177 Y C 0.380 176.548 175.900 0.446 0.000 1.186 177 Y CA -1.011 57.298 58.100 0.348 0.000 1.467 177 Y CB -0.062 38.596 38.460 0.330 0.000 1.262 177 Y HN 0.678 nan 8.280 nan 0.000 0.550 178 F N 0.888 121.113 119.950 0.460 0.000 3.034 178 F HA -0.307 4.220 4.527 -0.000 0.000 0.286 178 F C -0.067 176.068 175.800 0.558 0.000 0.804 178 F CA 0.778 59.053 58.000 0.460 0.000 1.161 178 F CB -1.528 37.635 39.000 0.272 0.000 1.317 178 F HN 0.626 nan 8.300 nan 0.000 0.453 179 S N 0.292 116.232 115.700 0.400 0.000 2.537 179 S HA 0.456 4.926 4.470 -0.000 0.000 0.275 179 S C -0.806 173.832 174.600 0.063 0.000 1.272 179 S CA -0.202 58.146 58.200 0.246 0.000 1.050 179 S CB 1.107 64.430 63.200 0.204 0.000 0.961 179 S HN 0.287 nan 8.310 nan 0.000 0.496 180 Y N 3.493 123.656 120.300 -0.228 0.000 2.335 180 Y HA 0.615 5.165 4.550 -0.000 0.000 0.338 180 Y C -1.085 174.802 175.900 -0.021 0.000 0.977 180 Y CA -0.639 57.252 58.100 -0.349 0.000 1.114 180 Y CB 0.803 38.884 38.460 -0.631 0.000 1.182 180 Y HN 0.343 nan 8.280 nan 0.000 0.463 181 V N 6.925 126.456 119.914 -0.638 0.000 2.483 181 V HA 0.343 4.463 4.120 -0.000 0.000 0.297 181 V C -0.895 174.815 176.094 -0.639 0.000 1.027 181 V CA -0.725 61.326 62.300 -0.415 0.000 0.855 181 V CB 1.593 33.312 31.823 -0.173 0.000 0.995 181 V HN 0.777 nan 8.190 nan 0.000 0.424 182 Q N 3.079 122.630 119.800 -0.415 0.000 2.891 182 Q HA 0.386 4.726 4.340 -0.000 0.000 0.242 182 Q C 0.052 175.909 176.000 -0.238 0.000 0.959 182 Q CA -0.011 55.631 55.803 -0.268 0.000 0.707 182 Q CB 1.481 30.182 28.738 -0.061 0.000 1.283 182 Q HN 0.947 nan 8.270 nan 0.000 0.480 183 T N -1.367 112.999 114.554 -0.314 0.000 3.209 183 T HA 0.381 4.731 4.350 -0.000 0.000 0.295 183 T C 1.095 175.641 174.700 -0.257 0.000 0.977 183 T CA 0.500 62.363 62.100 -0.395 0.000 0.922 183 T CB 0.925 69.364 68.868 -0.715 0.000 1.152 183 T HN 0.679 nan 8.240 nan 0.000 0.527 184 G N 2.327 111.018 108.800 -0.183 0.000 3.444 184 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.222 184 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.222 184 G C -0.057 174.774 174.900 -0.115 0.000 1.358 184 G CA 0.522 45.548 45.100 -0.123 0.000 0.880 184 G HN 1.148 nan 8.290 nan 0.000 0.555 185 E N -0.972 119.150 120.200 -0.131 0.000 2.366 185 E HA 0.719 5.069 4.350 -0.000 0.000 0.278 185 E C -1.511 175.018 176.600 -0.118 0.000 0.923 185 E CA -1.151 55.188 56.400 -0.101 0.000 0.761 185 E CB 2.260 31.917 29.700 -0.071 0.000 1.231 185 E HN 0.811 nan 8.360 nan 0.000 0.443 186 L N 2.772 123.954 121.223 -0.068 0.000 2.485 186 L HA 0.402 4.742 4.340 -0.000 0.000 0.260 186 L C -1.940 174.954 176.870 0.040 0.000 0.998 186 L CA -0.499 54.318 54.840 -0.038 0.000 0.883 186 L CB 1.688 43.715 42.059 -0.054 0.000 1.196 186 L HN 0.561 nan 8.230 nan 0.000 0.443 187 V N 4.261 124.211 119.914 0.060 0.000 2.384 187 V HA 0.611 4.731 4.120 -0.000 0.000 0.287 187 V C 1.131 177.291 176.094 0.109 0.000 1.020 187 V CA 0.057 62.425 62.300 0.113 0.000 0.850 187 V CB 1.120 32.991 31.823 0.080 0.000 0.987 187 V HN 0.892 nan 8.190 nan 0.000 0.436 188 G N 3.684 112.556 108.800 0.119 0.000 2.225 188 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.267 188 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.267 188 G C 0.213 175.160 174.900 0.078 0.000 1.024 188 G CA 0.205 45.362 45.100 0.095 0.000 0.784 188 G HN 0.498 nan 8.290 nan 0.000 0.507 189 K N -0.947 119.501 120.400 0.080 0.000 2.132 189 K HA 0.697 5.017 4.320 -0.000 0.000 0.241 189 K C -0.051 176.584 176.600 0.058 0.000 1.000 189 K CA -0.942 55.398 56.287 0.089 0.000 0.911 189 K CB 1.672 34.263 32.500 0.152 0.000 1.093 189 K HN 0.381 nan 8.250 nan 0.000 0.460 190 C N 1.533 120.868 119.300 0.058 0.000 2.407 190 C HA 0.436 4.896 4.460 -0.000 0.000 0.328 190 C C -0.833 174.185 174.990 0.046 0.000 1.137 190 C CA -0.548 58.487 59.018 0.029 0.000 1.390 190 C CB -0.275 27.476 27.740 0.019 0.000 1.989 190 C HN 0.407 nan 8.230 nan 0.000 0.432 191 V N 7.443 127.398 119.914 0.068 0.000 2.364 191 V HA 0.393 4.513 4.120 -0.000 0.000 0.272 191 V C 0.379 176.512 176.094 0.065 0.000 1.036 191 V CA -0.215 62.140 62.300 0.091 0.000 0.880 191 V CB 1.047 32.975 31.823 0.176 0.000 0.991 191 V HN 0.777 nan 8.190 nan 0.000 0.460 192 E N 5.504 125.731 120.200 0.045 0.000 2.376 192 E HA 0.325 4.675 4.350 -0.000 0.000 0.254 192 E C -2.391 174.209 176.600 0.000 0.000 1.213 192 E CA -1.950 54.462 56.400 0.021 0.000 0.945 192 E CB 0.336 30.045 29.700 0.016 0.000 1.057 192 E HN 0.388 nan 8.360 nan 0.000 0.479 193 P HA 0.100 nan 4.420 nan 0.000 0.272 193 P C 0.199 177.521 177.300 0.036 0.000 1.223 193 P CA 0.427 63.381 63.100 -0.244 0.000 0.784 193 P CB 0.395 31.563 31.700 -0.886 0.000 0.923 194 G N 0.302 109.232 108.800 0.217 0.000 2.249 194 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.273 194 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.273 194 G C -0.216 174.995 174.900 0.518 0.000 1.036 194 G CA -0.272 45.128 45.100 0.500 0.000 0.824 194 G HN 0.526 nan 8.290 nan 0.000 0.504 195 Q N -0.597 119.413 119.800 0.350 0.000 2.256 195 Q HA 0.653 4.993 4.340 -0.000 0.000 0.257 195 Q C 0.328 176.543 176.000 0.358 0.000 0.936 195 Q CA -0.371 55.605 55.803 0.289 0.000 0.903 195 Q CB 1.918 30.822 28.738 0.276 0.000 1.263 195 Q HN 0.488 nan 8.270 nan 0.000 0.440 196 I N 1.912 122.696 120.570 0.358 0.000 2.389 196 I HA 0.364 4.534 4.170 -0.000 0.000 0.288 196 I C -1.008 175.500 176.117 0.652 0.000 0.999 196 I CA -0.663 60.934 61.300 0.494 0.000 1.129 196 I CB 1.199 39.508 38.000 0.516 0.000 1.288 196 I HN 0.465 nan 8.210 nan 0.000 0.444 197 W N 8.976 130.559 121.300 0.471 0.000 2.687 197 W HA 0.611 5.271 4.660 -0.000 0.000 0.328 197 W C -1.789 174.968 176.519 0.397 0.000 1.012 197 W CA -1.174 56.431 57.345 0.433 0.000 1.262 197 W CB 1.079 30.724 29.460 0.307 0.000 1.331 197 W HN 0.205 nan 8.180 nan 0.000 0.433 198 I N 5.839 126.773 120.570 0.607 0.000 2.433 198 I HA 0.432 4.602 4.170 -0.000 0.000 0.292 198 I C -0.281 175.945 176.117 0.182 0.000 1.001 198 I CA -0.974 60.533 61.300 0.346 0.000 1.119 198 I CB 2.098 40.405 38.000 0.512 0.000 1.289 198 I HN 0.261 nan 8.210 nan 0.000 0.438 199 K N 3.979 124.353 120.400 -0.044 0.000 2.588 199 K HA 0.465 4.785 4.320 -0.000 0.000 0.250 199 K C -1.609 174.953 176.600 -0.064 0.000 0.972 199 K CA -0.325 55.917 56.287 -0.075 0.000 0.821 199 K CB 1.928 34.265 32.500 -0.273 0.000 1.249 199 K HN 0.536 nan 8.250 nan 0.000 0.442 200 S N 2.915 118.616 115.700 0.001 0.000 2.707 200 S HA 0.654 5.123 4.470 -0.000 0.000 0.303 200 S C 0.213 174.814 174.600 0.001 0.000 1.132 200 S CA 0.580 58.783 58.200 0.005 0.000 1.046 200 S CB 0.937 64.168 63.200 0.052 0.000 1.004 200 S HN 1.060 nan 8.310 nan 0.000 0.483 201 G N 4.977 113.769 108.800 -0.013 0.000 2.596 201 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.295 201 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.295 201 G C -0.028 174.865 174.900 -0.012 0.000 1.240 201 G CA 0.872 45.966 45.100 -0.010 0.000 0.985 201 G HN 0.660 nan 8.290 nan 0.000 0.555 202 D N 0.812 121.207 120.400 -0.009 0.000 2.474 202 D HA 0.461 5.101 4.640 -0.000 0.000 0.213 202 D C 2.006 178.293 176.300 -0.023 0.000 1.120 202 D CA 1.434 55.427 54.000 -0.012 0.000 0.836 202 D CB 0.457 41.251 40.800 -0.010 0.000 1.019 202 D HN 0.805 nan 8.370 nan 0.000 0.507 203 E N 0.210 120.396 120.200 -0.023 0.000 2.603 203 E HA 0.431 4.781 4.350 -0.000 0.000 0.211 203 E C 0.075 176.637 176.600 -0.064 0.000 0.995 203 E CA -0.191 56.187 56.400 -0.036 0.000 0.990 203 E CB 0.314 30.007 29.700 -0.012 0.000 1.036 203 E HN 0.180 nan 8.360 nan 0.000 0.475 204 L N -0.290 120.895 121.223 -0.064 0.000 2.505 204 L HA 0.632 4.972 4.340 -0.000 0.000 0.266 204 L C -1.635 175.183 176.870 -0.087 0.000 0.954 204 L CA -0.474 54.306 54.840 -0.102 0.000 0.852 204 L CB 2.349 44.432 42.059 0.040 0.000 1.282 204 L HN 0.147 nan 8.230 nan 0.000 0.403 205 E N 3.937 124.004 120.200 -0.222 0.000 2.397 205 E HA 0.288 4.638 4.350 -0.000 0.000 0.293 205 E C -2.232 174.347 176.600 -0.035 0.000 0.930 205 E CA -0.559 55.824 56.400 -0.028 0.000 0.793 205 E CB 1.771 31.496 29.700 0.041 0.000 1.259 205 E HN 0.450 nan 8.360 nan 0.000 0.406 206 F N 4.932 124.946 119.950 0.107 0.000 2.507 206 F HA 0.498 5.025 4.527 -0.000 0.000 0.325 206 F C -1.466 174.559 175.800 0.375 0.000 1.116 206 F CA -0.390 57.730 58.000 0.201 0.000 0.930 206 F CB 1.399 40.545 39.000 0.242 0.000 1.146 206 F HN 0.497 nan 8.300 nan 0.000 0.447 207 H N 6.061 124.887 119.070 -0.406 0.000 2.782 207 H HA 0.295 4.851 4.556 -0.000 0.000 0.347 207 H C -2.112 172.914 175.328 -0.503 0.000 1.038 207 H CA -0.500 55.395 56.048 -0.255 0.000 1.255 207 H CB 1.817 31.444 29.762 -0.226 0.000 1.623 207 H HN 0.800 nan 8.280 nan 0.000 0.525 208 Y N 2.756 122.603 120.300 -0.756 0.000 2.570 208 Y HA 0.413 4.963 4.550 -0.000 0.000 0.345 208 Y C -1.233 174.299 175.900 -0.614 0.000 1.014 208 Y CA -0.503 57.242 58.100 -0.591 0.000 1.063 208 Y CB 2.229 40.573 38.460 -0.193 0.000 1.272 208 Y HN 0.498 nan 8.280 nan 0.000 0.477 209 S N 4.570 119.489 115.700 -1.302 0.000 2.619 209 S HA 0.546 5.016 4.470 -0.000 0.000 0.280 209 S C -1.659 172.448 174.600 -0.822 0.000 1.150 209 S CA -0.514 57.254 58.200 -0.721 0.000 0.978 209 S CB 0.169 63.126 63.200 -0.406 0.000 1.041 209 S HN 0.498 nan 8.310 nan 0.000 0.485 210 F N 2.697 122.565 119.950 -0.137 0.000 2.429 210 F HA 0.264 4.791 4.527 -0.000 0.000 0.348 210 F C 1.097 176.899 175.800 0.004 0.000 1.109 210 F CA -0.098 57.947 58.000 0.075 0.000 1.232 210 F CB 0.578 39.722 39.000 0.240 0.000 1.157 210 F HN 0.558 nan 8.300 nan 0.000 0.564 211 D N 2.919 123.440 120.400 0.202 0.000 2.487 211 D HA -0.064 4.576 4.640 -0.000 0.000 0.243 211 D C 1.036 177.424 176.300 0.146 0.000 1.154 211 D CA 0.442 54.522 54.000 0.134 0.000 0.876 211 D CB 0.799 41.666 40.800 0.112 0.000 1.161 211 D HN 0.535 nan 8.370 nan 0.000 0.478 212 K N 2.988 123.455 120.400 0.112 0.000 2.211 212 K HA -0.105 4.215 4.320 -0.000 0.000 0.203 212 K C 1.605 178.255 176.600 0.083 0.000 1.050 212 K CA 0.937 57.291 56.287 0.113 0.000 0.945 212 K CB 0.039 32.599 32.500 0.101 0.000 0.732 212 K HN 0.492 nan 8.250 nan 0.000 0.451 213 A N 0.914 123.769 122.820 0.059 0.000 2.015 213 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 213 A C 1.912 179.500 177.584 0.007 0.000 1.163 213 A CA 1.002 53.059 52.037 0.034 0.000 0.646 213 A CB -0.257 18.763 19.000 0.033 0.000 0.806 213 A HN 0.261 nan 8.150 nan 0.000 0.448 214 I N -1.389 119.182 120.570 0.001 0.000 2.385 214 I HA -0.090 4.080 4.170 -0.000 0.000 0.244 214 I C 2.330 178.430 176.117 -0.028 0.000 1.089 214 I CA 0.609 61.870 61.300 -0.064 0.000 1.410 214 I CB -0.260 37.613 38.000 -0.212 0.000 1.117 214 I HN 0.353 nan 8.210 nan 0.000 0.429 215 L N 1.397 122.608 121.223 -0.019 0.000 2.013 215 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 215 L C 1.774 178.617 176.870 -0.046 0.000 1.073 215 L CA 2.111 56.904 54.840 -0.079 0.000 0.753 215 L CB -0.885 41.172 42.059 -0.002 0.000 0.890 215 L HN 0.185 nan 8.230 nan 0.000 0.432 216 D N -0.494 119.910 120.400 0.006 0.000 2.311 216 D HA -0.166 4.474 4.640 -0.000 0.000 0.212 216 D C 2.065 178.278 176.300 -0.146 0.000 0.972 216 D CA 0.964 54.948 54.000 -0.027 0.000 0.887 216 D CB -0.044 40.771 40.800 0.025 0.000 0.915 216 D HN 0.448 nan 8.370 nan 0.000 0.497 217 K N -1.002 119.276 120.400 -0.203 0.000 2.365 217 K HA -0.031 4.289 4.320 -0.000 0.000 0.197 217 K C 1.118 177.355 176.600 -0.606 0.000 1.042 217 K CA 0.513 56.567 56.287 -0.387 0.000 0.987 217 K CB 0.213 32.431 32.500 -0.470 0.000 0.779 217 K HN 0.253 nan 8.250 nan 0.000 0.484 218 Y N -0.647 119.444 120.300 -0.348 0.000 2.522 218 Y HA 0.254 4.804 4.550 -0.000 0.000 0.277 218 Y C 0.249 175.806 175.900 -0.571 0.000 1.104 218 Y CA -0.350 57.442 58.100 -0.514 0.000 1.260 218 Y CB 0.887 38.957 38.460 -0.651 0.000 1.151 218 Y HN -0.114 nan 8.280 nan 0.000 0.539 219 I N -0.057 120.302 120.570 -0.352 0.000 2.735 219 I HA 0.413 4.583 4.170 -0.000 0.000 0.287 219 I C -1.217 174.682 176.117 -0.363 0.000 1.452 219 I CA -0.551 60.538 61.300 -0.351 0.000 1.061 219 I CB 1.267 39.000 38.000 -0.444 0.000 1.383 219 I HN -0.054 nan 8.210 nan 0.000 0.425 220 S N 5.994 121.422 115.700 -0.454 0.000 2.547 220 S HA 0.810 5.280 4.470 -0.000 0.000 0.270 220 S C -1.499 172.783 174.600 -0.530 0.000 1.150 220 S CA -0.678 57.000 58.200 -0.871 0.000 0.850 220 S CB 2.038 64.967 63.200 -0.452 0.000 1.118 220 S HN 0.871 nan 8.310 nan 0.000 0.461 221 Q N 0.611 120.068 119.800 -0.572 0.000 2.315 221 Q HA 0.522 4.862 4.340 -0.000 0.000 0.273 221 Q C -1.654 174.440 176.000 0.157 0.000 1.053 221 Q CA -0.411 55.366 55.803 -0.042 0.000 0.817 221 Q CB 2.133 30.974 28.738 0.170 0.000 1.326 221 Q HN 0.842 nan 8.270 nan 0.000 0.423 222 E N 1.653 121.923 120.200 0.116 0.000 2.244 222 E HA 0.666 5.016 4.350 -0.000 0.000 0.266 222 E C -1.168 175.395 176.600 -0.062 0.000 0.914 222 E CA -0.753 55.698 56.400 0.085 0.000 0.794 222 E CB 1.635 31.346 29.700 0.020 0.000 1.210 222 E HN 0.755 nan 8.360 nan 0.000 0.414 223 A N 1.803 124.469 122.820 -0.256 0.000 2.524 223 A HA 0.423 4.743 4.320 -0.000 0.000 0.250 223 A C 1.032 178.381 177.584 -0.393 0.000 1.078 223 A CA 0.971 52.574 52.037 -0.724 0.000 0.761 223 A CB -0.525 18.059 19.000 -0.692 0.000 1.012 223 A HN 0.943 nan 8.150 nan 0.000 0.500 224 G N 1.705 110.278 108.800 -0.377 0.000 2.213 224 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.226 224 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.226 224 G C 0.327 175.157 174.900 -0.117 0.000 0.992 224 G CA 0.283 45.260 45.100 -0.204 0.000 0.632 224 G HN 1.393 nan 8.290 nan 0.000 0.511 225 S N -0.407 115.234 115.700 -0.097 0.000 2.638 225 S HA 0.714 5.184 4.470 -0.000 0.000 0.302 225 S C 0.519 175.132 174.600 0.022 0.000 1.096 225 S CA -0.235 57.946 58.200 -0.033 0.000 0.953 225 S CB 2.052 65.234 63.200 -0.029 0.000 1.107 225 S HN 1.414 nan 8.310 nan 0.000 0.503 226 C N 0.376 119.700 119.300 0.040 0.000 2.403 226 C HA 0.754 5.214 4.460 -0.000 0.000 0.361 226 C C -2.751 172.289 174.990 0.083 0.000 1.274 226 C CA -2.185 56.884 59.018 0.086 0.000 2.433 226 C CB -0.621 27.167 27.740 0.080 0.000 2.323 226 C HN 0.506 nan 8.230 nan 0.000 0.614 227 P HA 0.315 nan 4.420 nan 0.000 0.268 227 P C 0.041 177.377 177.300 0.060 0.000 1.205 227 P CA 0.692 63.849 63.100 0.096 0.000 0.771 227 P CB 0.529 32.346 31.700 0.195 0.000 0.858 228 T N -0.808 113.739 114.554 -0.012 0.000 2.907 228 T HA 0.849 5.199 4.350 -0.000 0.000 0.290 228 T C -0.075 174.562 174.700 -0.105 0.000 1.066 228 T CA -0.348 61.727 62.100 -0.041 0.000 1.012 228 T CB 1.796 70.632 68.868 -0.054 0.000 1.184 228 T HN 0.725 nan 8.240 nan 0.000 0.522 229 G N -0.314 108.411 108.800 -0.126 0.000 2.392 229 G HA2 0.127 4.087 3.960 -0.000 0.000 0.677 229 G HA3 0.127 4.087 3.960 -0.000 0.000 0.677 229 G C 0.330 175.092 174.900 -0.230 0.000 1.334 229 G CA -0.302 44.672 45.100 -0.211 0.000 0.961 229 G HN 1.162 nan 8.290 nan 0.000 0.616 230 V N 0.504 120.226 119.914 -0.320 0.000 2.439 230 V HA -0.114 4.006 4.120 -0.000 0.000 0.253 230 V C 2.175 178.073 176.094 -0.328 0.000 1.074 230 V CA 2.171 64.287 62.300 -0.306 0.000 1.076 230 V CB -0.921 30.659 31.823 -0.405 0.000 0.664 230 V HN 0.507 nan 8.190 nan 0.000 0.461 234 F N 1.816 121.680 119.950 -0.143 0.000 2.187 234 F HA -0.066 4.460 4.527 -0.000 0.000 0.295 234 F C 1.989 177.660 175.800 -0.214 0.000 1.091 234 F CA 1.621 59.521 58.000 -0.166 0.000 1.308 234 F CB 0.198 39.081 39.000 -0.196 0.000 1.030 234 F HN -0.009 nan 8.300 nan 0.000 0.487 235 V N -1.975 117.941 119.914 0.003 0.000 2.446 235 V HA -0.064 4.056 4.120 -0.000 0.000 0.244 235 V C 1.965 178.071 176.094 0.020 0.000 1.039 235 V CA 1.636 63.891 62.300 -0.075 0.000 1.045 235 V CB -0.902 30.766 31.823 -0.258 0.000 0.681 235 V HN 0.251 nan 8.190 nan 0.000 0.459 236 E N 0.811 121.038 120.200 0.045 0.000 2.204 236 E HA -0.056 4.294 4.350 -0.000 0.000 0.194 236 E C 2.229 178.870 176.600 0.068 0.000 0.989 236 E CA 1.365 57.832 56.400 0.112 0.000 0.824 236 E CB -0.131 29.647 29.700 0.130 0.000 0.756 236 E HN 0.561 nan 8.360 nan 0.000 0.477 237 V N 0.835 120.743 119.914 -0.011 0.000 3.510 237 V HA -0.098 4.022 4.120 -0.000 0.000 0.270 237 V C 1.671 177.742 176.094 -0.037 0.000 1.201 237 V CA 1.122 63.400 62.300 -0.037 0.000 1.166 237 V CB -0.425 31.337 31.823 -0.101 0.000 0.825 237 V HN 0.135 nan 8.190 nan 0.000 0.484 238 R N -1.773 118.725 120.500 -0.004 0.000 2.521 238 R HA 0.188 4.528 4.340 -0.000 0.000 0.289 238 R C 1.812 178.261 176.300 0.247 0.000 0.936 238 R CA -0.116 56.008 56.100 0.040 0.000 1.089 238 R CB 0.245 30.446 30.300 -0.165 0.000 1.348 238 R HN 0.403 nan 8.270 nan 0.000 0.536 239 Q N 0.899 120.863 119.800 0.274 0.000 2.437 239 Q HA -0.175 4.165 4.340 -0.000 0.000 0.210 239 Q C 1.539 177.733 176.000 0.322 0.000 0.972 239 Q CA 1.418 57.449 55.803 0.379 0.000 0.903 239 Q CB 0.325 29.220 28.738 0.261 0.000 0.967 239 Q HN 0.416 nan 8.270 nan 0.000 0.486 240 E N 0.542 120.874 120.200 0.221 0.000 2.046 240 E HA -0.192 4.158 4.350 -0.000 0.000 0.190 240 E C 0.995 177.690 176.600 0.157 0.000 0.982 240 E CA 1.449 57.948 56.400 0.165 0.000 0.800 240 E CB -0.085 29.682 29.700 0.112 0.000 0.756 240 E HN 0.115 nan 8.360 nan 0.000 0.449 241 D N -0.325 120.158 120.400 0.139 0.000 2.309 241 D HA -0.117 4.523 4.640 -0.000 0.000 0.212 241 D C 1.268 177.573 176.300 0.007 0.000 0.968 241 D CA 0.714 54.746 54.000 0.054 0.000 0.882 241 D CB -0.170 40.668 40.800 0.064 0.000 0.918 241 D HN 0.242 nan 8.370 nan 0.000 0.503 242 F N 1.022 121.044 119.950 0.121 0.000 2.270 242 F HA 0.002 4.529 4.527 -0.000 0.000 0.295 242 F C 2.811 178.645 175.800 0.058 0.000 1.087 242 F CA 1.250 59.300 58.000 0.082 0.000 1.365 242 F CB -0.557 38.491 39.000 0.080 0.000 1.056 242 F HN 0.009 nan 8.300 nan 0.000 0.506 243 E N 0.380 120.736 120.200 0.261 0.000 2.153 243 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 243 E C 1.874 178.556 176.600 0.136 0.000 0.988 243 E CA 1.642 58.153 56.400 0.185 0.000 0.811 243 E CB -0.947 28.850 29.700 0.160 0.000 0.746 243 E HN 0.595 nan 8.360 nan 0.000 0.466 244 E N -0.524 119.738 120.200 0.102 0.000 2.106 244 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 244 E C 2.016 178.643 176.600 0.046 0.000 0.984 244 E CA 1.063 57.498 56.400 0.059 0.000 0.806 244 E CB 0.131 29.847 29.700 0.026 0.000 0.750 244 E HN 0.387 nan 8.360 nan 0.000 0.458 245 V N -0.039 119.906 119.914 0.053 0.000 3.541 245 V HA 0.014 4.134 4.120 -0.000 0.000 0.267 245 V C 0.562 176.694 176.094 0.065 0.000 1.213 245 V CA 0.835 63.148 62.300 0.022 0.000 1.149 245 V CB -0.508 31.309 31.823 -0.010 0.000 0.822 245 V HN 0.191 nan 8.190 nan 0.000 0.462 258 A N 0.976 123.771 122.820 -0.042 0.000 2.365 258 A HA 0.827 5.147 4.320 -0.000 0.000 0.318 258 A C 0.214 177.785 177.584 -0.022 0.000 1.091 258 A CA -0.064 51.949 52.037 -0.040 0.000 0.763 258 A CB 1.177 20.136 19.000 -0.068 0.000 1.248 258 A HN 1.020 nan 8.150 nan 0.000 0.442 259 S N 1.129 116.828 115.700 -0.001 0.000 2.515 259 S HA 0.420 4.890 4.470 -0.000 0.000 0.285 259 S C 1.478 176.109 174.600 0.050 0.000 1.265 259 S CA 1.268 59.488 58.200 0.034 0.000 1.079 259 S CB -0.278 62.952 63.200 0.051 0.000 0.877 259 S HN 2.490 nan 8.310 nan 0.000 0.493 260 G N 3.169 112.001 108.800 0.052 0.000 2.225 260 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.254 260 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.254 260 G C 0.343 175.207 174.900 -0.059 0.000 0.988 260 G CA 0.134 45.248 45.100 0.023 0.000 0.625 260 G HN 1.440 nan 8.290 nan 0.000 0.527 261 A N -0.202 122.590 122.820 -0.046 0.000 2.386 261 A HA 0.765 5.085 4.320 -0.000 0.000 0.248 261 A C 0.656 178.198 177.584 -0.070 0.000 1.082 261 A CA 1.062 53.060 52.037 -0.064 0.000 0.789 261 A CB 0.968 19.927 19.000 -0.069 0.000 1.025 261 A HN 1.801 nan 8.150 nan 0.000 0.490 262 S N 0.918 116.578 115.700 -0.067 0.000 2.736 262 S HA 0.528 4.998 4.470 -0.000 0.000 0.285 262 S C -1.348 173.220 174.600 -0.053 0.000 1.163 262 S CA -0.501 57.662 58.200 -0.061 0.000 1.025 262 S CB 0.767 63.934 63.200 -0.055 0.000 1.030 262 S HN 0.885 nan 8.310 nan 0.000 0.486 263 V N 4.117 123.994 119.914 -0.062 0.000 2.409 263 V HA 0.523 4.643 4.120 -0.000 0.000 0.291 263 V C 0.688 176.744 176.094 -0.064 0.000 1.020 263 V CA -0.762 61.503 62.300 -0.058 0.000 0.848 263 V CB 1.460 33.240 31.823 -0.072 0.000 0.990 263 V HN 0.916 nan 8.190 nan 0.000 0.430 264 S N 3.589 119.267 115.700 -0.037 0.000 2.568 264 S HA 0.226 4.696 4.470 -0.000 0.000 0.282 264 S C 1.501 176.052 174.600 -0.081 0.000 1.338 264 S CA 0.380 58.560 58.200 -0.033 0.000 1.045 264 S CB 1.124 64.364 63.200 0.067 0.000 0.873 264 S HN 1.046 nan 8.310 nan 0.000 0.516 265 G N 2.294 110.984 108.800 -0.184 0.000 2.598 265 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.215 265 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.215 265 G C 0.499 175.199 174.900 -0.333 0.000 1.131 265 G CA 0.401 45.316 45.100 -0.310 0.000 0.785 265 G HN 0.801 nan 8.290 nan 0.000 0.539 266 Y N 0.659 120.962 120.300 0.005 0.000 2.468 266 Y HA 0.578 5.128 4.550 -0.000 0.000 0.268 266 Y C 1.443 177.397 175.900 0.089 0.000 1.177 266 Y CA -0.785 57.347 58.100 0.053 0.000 1.265 266 Y CB 0.173 38.694 38.460 0.102 0.000 1.103 266 Y HN 0.219 nan 8.280 nan 0.000 0.522 267 A N 0.011 122.911 122.820 0.134 0.000 2.295 267 A HA 0.650 4.970 4.320 -0.000 0.000 0.318 267 A C -0.600 176.945 177.584 -0.066 0.000 1.134 267 A CA -0.546 51.546 52.037 0.093 0.000 0.827 267 A CB 0.616 19.637 19.000 0.035 0.000 1.136 267 A HN -0.041 nan 8.150 nan 0.000 0.493 268 V N 3.124 122.901 119.914 -0.229 0.000 2.432 268 V HA 0.290 4.410 4.120 -0.000 0.000 0.275 268 V C -0.380 175.474 176.094 -0.400 0.000 1.043 268 V CA -0.161 61.868 62.300 -0.452 0.000 0.925 268 V CB 0.859 32.136 31.823 -0.910 0.000 0.985 268 V HN 0.599 nan 8.190 nan 0.000 0.466 269 I N 5.340 125.724 120.570 -0.310 0.000 2.447 269 I HA 0.584 4.754 4.170 -0.000 0.000 0.287 269 I C -0.207 175.771 176.117 -0.231 0.000 1.023 269 I CA -0.542 60.613 61.300 -0.242 0.000 1.083 269 I CB 1.592 39.497 38.000 -0.159 0.000 1.245 269 I HN 0.634 nan 8.210 nan 0.000 0.434 270 K N 2.705 122.973 120.400 -0.221 0.000 2.480 270 K HA 0.712 5.032 4.320 -0.000 0.000 0.258 270 K C 0.477 177.022 176.600 -0.092 0.000 0.990 270 K CA 0.007 56.191 56.287 -0.171 0.000 0.857 270 K CB 2.350 34.711 32.500 -0.232 0.000 1.384 270 K HN 0.722 nan 8.250 nan 0.000 0.446 271 G N 1.602 110.367 108.800 -0.060 0.000 2.602 271 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.306 271 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.306 271 G C -0.197 174.693 174.900 -0.016 0.000 1.301 271 G CA 0.688 45.773 45.100 -0.024 0.000 0.974 271 G HN 0.729 nan 8.290 nan 0.000 0.547 272 D N 1.228 121.633 120.400 0.007 0.000 3.085 272 D HA 0.420 5.060 4.640 -0.000 0.000 0.243 272 D C 0.821 177.147 176.300 0.042 0.000 1.232 272 D CA 0.326 54.341 54.000 0.025 0.000 0.913 272 D CB -0.789 40.035 40.800 0.040 0.000 1.108 272 D HN 0.373 nan 8.370 nan 0.000 0.468 273 T N 0.173 114.731 114.554 0.006 0.000 2.851 273 T HA 0.243 4.593 4.350 -0.000 0.000 0.298 273 T C 0.063 174.739 174.700 -0.041 0.000 0.977 273 T CA -0.249 61.844 62.100 -0.012 0.000 1.126 273 T CB 1.396 70.232 68.868 -0.053 0.000 0.916 273 T HN -0.114 nan 8.240 nan 0.000 0.529 274 V N 5.619 125.479 119.914 -0.089 0.000 2.378 274 V HA 0.338 4.458 4.120 -0.000 0.000 0.288 274 V C -0.206 175.667 176.094 -0.369 0.000 1.016 274 V CA -0.892 61.277 62.300 -0.218 0.000 0.840 274 V CB 1.466 33.134 31.823 -0.259 0.000 0.994 274 V HN 0.729 nan 8.190 nan 0.000 0.431 275 I N 5.034 125.446 120.570 -0.263 0.000 2.291 275 I HA 0.335 4.505 4.170 -0.000 0.000 0.292 275 I C 1.188 177.144 176.117 -0.269 0.000 1.064 275 I CA 0.360 61.512 61.300 -0.247 0.000 1.269 275 I CB 0.778 38.685 38.000 -0.154 0.000 1.418 275 I HN 0.681 nan 8.210 nan 0.000 0.485 276 G N 5.890 114.475 108.800 -0.357 0.000 2.683 276 G HA2 0.117 4.077 3.960 -0.000 0.000 0.260 276 G HA3 0.117 4.077 3.960 -0.000 0.000 0.260 276 G C 0.100 174.906 174.900 -0.157 0.000 1.238 276 G CA -0.472 44.452 45.100 -0.294 0.000 0.934 276 G HN 0.627 nan 8.290 nan 0.000 0.534 277 E N -0.058 120.082 120.200 -0.099 0.000 2.418 277 E HA 0.001 4.351 4.350 -0.000 0.000 0.261 277 E C 0.330 176.905 176.600 -0.042 0.000 1.070 277 E CA -0.021 56.354 56.400 -0.041 0.000 0.931 277 E CB 0.288 29.988 29.700 0.001 0.000 0.954 277 E HN 0.451 nan 8.360 nan 0.000 0.439 278 N N -0.499 118.191 118.700 -0.017 0.000 2.732 278 N HA -0.181 4.559 4.740 -0.000 0.000 0.250 278 N C -0.902 174.566 175.510 -0.071 0.000 1.097 278 N CA 0.586 53.620 53.050 -0.026 0.000 0.812 278 N CB -1.206 37.281 38.487 -0.000 0.000 1.148 278 N HN 0.135 nan 8.380 nan 0.000 0.572 279 V N 1.096 120.964 119.914 -0.077 0.000 2.614 279 V HA 0.210 4.330 4.120 -0.000 0.000 0.291 279 V C 0.504 176.559 176.094 -0.066 0.000 1.049 279 V CA -0.407 61.843 62.300 -0.083 0.000 1.038 279 V CB 1.437 33.196 31.823 -0.107 0.000 0.980 279 V HN 0.177 nan 8.190 nan 0.000 0.481 280 L N 7.260 128.454 121.223 -0.049 0.000 2.318 280 L HA 0.560 4.900 4.340 -0.000 0.000 0.277 280 L C -0.480 176.386 176.870 -0.007 0.000 1.008 280 L CA 0.124 54.951 54.840 -0.021 0.000 0.846 280 L CB 1.499 43.560 42.059 0.003 0.000 1.220 280 L HN 0.404 nan 8.230 nan 0.000 0.423 281 V N 4.752 124.660 119.914 -0.010 0.000 2.334 281 V HA 0.509 4.629 4.120 -0.000 0.000 0.281 281 V C 0.484 176.594 176.094 0.027 0.000 1.016 281 V CA -0.310 61.993 62.300 0.004 0.000 0.832 281 V CB 1.159 32.970 31.823 -0.020 0.000 0.999 281 V HN 0.880 nan 8.190 nan 0.000 0.439 282 S N 3.587 119.322 115.700 0.058 0.000 2.655 282 S HA 0.349 4.819 4.470 -0.000 0.000 0.265 282 S C 0.059 174.725 174.600 0.110 0.000 1.240 282 S CA -0.735 57.516 58.200 0.086 0.000 0.986 282 S CB 0.738 64.006 63.200 0.113 0.000 0.985 282 S HN 0.856 nan 8.310 nan 0.000 0.562 283 Q N 0.778 120.660 119.800 0.137 0.000 2.361 283 Q HA 0.318 4.658 4.340 -0.000 0.000 0.276 283 Q C -0.233 175.838 176.000 0.119 0.000 1.022 283 Q CA -0.383 55.522 55.803 0.170 0.000 0.898 283 Q CB 0.167 29.030 28.738 0.208 0.000 1.246 283 Q HN 0.457 nan 8.270 nan 0.000 0.410 284 R N -1.558 119.045 120.500 0.172 0.000 3.954 284 R HA -0.172 4.168 4.340 -0.000 0.000 0.422 284 R C -0.564 175.884 176.300 0.247 0.000 1.091 284 R CA 1.068 57.222 56.100 0.090 0.000 1.168 284 R CB -2.561 27.610 30.300 -0.217 0.000 1.752 284 R HN 0.897 nan 8.270 nan 0.000 0.547 285 A N 0.540 123.496 122.820 0.227 0.000 2.371 285 A HA 0.496 4.816 4.320 -0.000 0.000 0.257 285 A C -0.620 177.047 177.584 0.140 0.000 1.089 285 A CA -0.096 52.029 52.037 0.147 0.000 0.794 285 A CB 0.342 19.397 19.000 0.093 0.000 1.029 285 A HN 0.263 nan 8.150 nan 0.000 0.488 286 Y N 2.850 123.067 120.300 -0.138 0.000 2.363 286 Y HA 0.531 5.081 4.550 -0.000 0.000 0.325 286 Y C -1.094 174.754 175.900 -0.086 0.000 0.984 286 Y CA -0.806 57.156 58.100 -0.231 0.000 1.248 286 Y CB 0.992 39.183 38.460 -0.448 0.000 1.116 286 Y HN 0.535 nan 8.280 nan 0.000 0.470 287 L N 5.653 126.759 121.223 -0.196 0.000 2.307 287 L HA 0.484 4.824 4.340 -0.000 0.000 0.284 287 L C -1.024 175.739 176.870 -0.177 0.000 1.023 287 L CA -0.710 54.085 54.840 -0.075 0.000 0.810 287 L CB 1.763 43.780 42.059 -0.070 0.000 1.231 287 L HN 0.543 nan 8.230 nan 0.000 0.423 288 D N 3.697 124.103 120.400 0.011 0.000 2.375 288 D HA 0.193 4.833 4.640 -0.000 0.000 0.241 288 D C -0.356 175.985 176.300 0.067 0.000 1.361 288 D CA -0.342 53.668 54.000 0.017 0.000 0.995 288 D CB 0.680 41.564 40.800 0.141 0.000 1.312 288 D HN 0.476 nan 8.370 nan 0.000 0.576 289 N N 1.380 120.102 118.700 0.037 0.000 2.780 289 N HA -0.147 4.593 4.740 -0.000 0.000 0.248 289 N C -1.019 174.547 175.510 0.092 0.000 1.102 289 N CA 0.991 54.078 53.050 0.060 0.000 0.697 289 N CB -1.171 37.353 38.487 0.062 0.000 1.028 289 N HN 0.487 nan 8.380 nan 0.000 0.554 290 A N -0.420 122.450 122.820 0.083 0.000 2.252 290 A HA 0.533 4.853 4.320 -0.000 0.000 0.309 290 A C 0.181 177.842 177.584 0.127 0.000 1.285 290 A CA -0.515 51.587 52.037 0.110 0.000 0.900 290 A CB 0.424 19.471 19.000 0.078 0.000 1.157 290 A HN 0.386 nan 8.150 nan 0.000 0.536 294 K N -0.139 120.213 120.400 -0.080 0.000 2.530 294 K HA 0.349 4.669 4.320 -0.000 0.000 0.280 294 K C 1.488 178.067 176.600 -0.035 0.000 1.004 294 K CA 1.957 58.215 56.287 -0.049 0.000 1.071 294 K CB 0.029 32.532 32.500 0.006 0.000 0.876 294 K HN 1.992 nan 8.250 nan 0.000 0.487 295 G N 2.188 110.945 108.800 -0.072 0.000 2.241 295 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 295 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 295 G C 0.101 174.937 174.900 -0.106 0.000 0.998 295 G CA 0.221 45.250 45.100 -0.119 0.000 0.621 295 G HN 0.662 nan 8.290 nan 0.000 0.519 296 S N 0.305 115.967 115.700 -0.064 0.000 2.566 296 S HA 0.371 4.841 4.470 -0.000 0.000 0.280 296 S C 0.314 174.890 174.600 -0.040 0.000 1.343 296 S CA 0.657 58.836 58.200 -0.036 0.000 1.036 296 S CB 0.903 64.095 63.200 -0.014 0.000 0.866 296 S HN 0.704 nan 8.310 nan 0.000 0.526 297 N N 0.268 118.959 118.700 -0.015 0.000 2.558 297 N HA 0.407 5.147 4.740 -0.000 0.000 0.285 297 N C -1.361 174.161 175.510 0.020 0.000 1.112 297 N CA -0.478 52.569 53.050 -0.004 0.000 0.857 297 N CB 0.850 39.331 38.487 -0.011 0.000 1.376 297 N HN 0.628 nan 8.380 nan 0.000 0.526 298 A N 3.538 126.375 122.820 0.027 0.000 2.316 298 A HA 0.296 4.616 4.320 -0.000 0.000 0.311 298 A C 0.273 177.894 177.584 0.062 0.000 1.339 298 A CA -0.445 51.622 52.037 0.050 0.000 0.960 298 A CB 0.479 19.510 19.000 0.052 0.000 1.152 298 A HN 0.713 nan 8.150 nan 0.000 0.547 299 Q N 1.202 121.038 119.800 0.059 0.000 2.308 299 Q HA 0.188 4.528 4.340 -0.000 0.000 0.207 299 Q C -0.291 175.817 176.000 0.180 0.000 1.035 299 Q CA -0.589 55.261 55.803 0.078 0.000 1.008 299 Q CB 0.882 29.554 28.738 -0.110 0.000 1.168 299 Q HN 0.745 nan 8.270 nan 0.000 0.565 300 E N 1.230 121.616 120.200 0.311 0.000 2.465 300 E HA -0.119 4.231 4.350 -0.000 0.000 0.260 300 E C -0.351 176.447 176.600 0.330 0.000 0.980 300 E CA 0.249 56.818 56.400 0.281 0.000 0.927 300 E CB 0.223 30.032 29.700 0.181 0.000 0.934 300 E HN 0.489 nan 8.360 nan 0.000 0.459 301 N N -0.060 118.750 118.700 0.183 0.000 2.967 301 N HA -0.170 4.570 4.740 -0.000 0.000 0.241 301 N C -0.338 175.362 175.510 0.317 0.000 0.983 301 N CA 1.095 54.275 53.050 0.217 0.000 0.918 301 N CB -2.234 36.416 38.487 0.272 0.000 1.109 301 N HN 0.600 nan 8.380 nan 0.000 0.567 302 C N -0.497 118.936 119.300 0.221 0.000 2.351 302 C HA 0.802 5.262 4.460 -0.000 0.000 0.359 302 C C 0.028 175.112 174.990 0.157 0.000 1.193 302 C CA -0.951 58.244 59.018 0.296 0.000 2.270 302 C CB 0.385 28.253 27.740 0.213 0.000 2.369 302 C HN 0.211 nan 8.230 nan 0.000 0.553 303 Y N 1.434 121.895 120.300 0.269 0.000 2.391 303 Y HA 0.717 5.267 4.550 -0.000 0.000 0.341 303 Y C 0.104 176.152 175.900 0.247 0.000 0.965 303 Y CA -1.162 57.130 58.100 0.320 0.000 1.067 303 Y CB 1.282 39.976 38.460 0.390 0.000 1.199 303 Y HN 0.610 nan 8.280 nan 0.000 0.450 304 I N 5.529 126.317 120.570 0.364 0.000 2.439 304 I HA 0.481 4.651 4.170 -0.000 0.000 0.283 304 I C -1.010 175.256 176.117 0.248 0.000 1.023 304 I CA -0.382 61.068 61.300 0.249 0.000 1.100 304 I CB 1.299 39.398 38.000 0.167 0.000 1.238 304 I HN 0.467 nan 8.210 nan 0.000 0.445 305 I N 6.053 126.759 120.570 0.226 0.000 2.478 305 I HA 0.336 4.506 4.170 -0.000 0.000 0.287 305 I C -0.314 175.885 176.117 0.138 0.000 1.042 305 I CA -0.646 60.779 61.300 0.209 0.000 1.067 305 I CB 1.750 39.910 38.000 0.267 0.000 1.233 305 I HN 0.553 nan 8.210 nan 0.000 0.431 306 N N 2.478 121.246 118.700 0.113 0.000 2.735 306 N HA -0.170 4.570 4.740 -0.000 0.000 0.248 306 N C -0.839 174.714 175.510 0.070 0.000 1.083 306 N CA 0.928 54.024 53.050 0.078 0.000 0.703 306 N CB -0.866 37.658 38.487 0.062 0.000 1.005 306 N HN 0.567 nan 8.380 nan 0.000 0.550 307 S N -0.375 115.383 115.700 0.097 0.000 2.542 307 S HA 0.566 5.036 4.470 -0.000 0.000 0.293 307 S C 0.075 174.762 174.600 0.145 0.000 1.089 307 S CA -0.928 57.334 58.200 0.103 0.000 0.961 307 S CB 3.060 66.326 63.200 0.109 0.000 1.062 307 S HN 0.339 nan 8.310 nan 0.000 0.483 308 R N 1.675 122.260 120.500 0.142 0.000 2.387 308 R HA 0.572 4.912 4.340 -0.000 0.000 0.314 308 R C -1.922 174.570 176.300 0.320 0.000 0.958 308 R CA -0.662 55.572 56.100 0.223 0.000 0.846 308 R CB 0.408 30.669 30.300 -0.066 0.000 1.147 308 R HN 0.441 nan 8.270 nan 0.000 0.447 309 L N 4.389 125.836 121.223 0.372 0.000 2.294 309 L HA 0.280 4.620 4.340 -0.000 0.000 0.283 309 L C 1.009 178.107 176.870 0.380 0.000 1.015 309 L CA -0.127 54.890 54.840 0.294 0.000 0.831 309 L CB 1.803 43.972 42.059 0.184 0.000 1.217 309 L HN 0.697 nan 8.230 nan 0.000 0.420 310 E N 2.519 122.908 120.200 0.314 0.000 2.150 310 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 310 E C 0.309 177.078 176.600 0.282 0.000 0.985 310 E CA 0.623 57.225 56.400 0.338 0.000 0.814 310 E CB 0.180 30.000 29.700 0.200 0.000 0.752 310 E HN 0.454 nan 8.360 nan 0.000 0.466 311 R N -0.922 119.683 120.500 0.176 0.000 5.589 311 R HA -0.042 4.298 4.340 -0.000 0.000 0.242 311 R C -1.085 175.263 176.300 0.080 0.000 0.936 311 R CA -0.067 56.103 56.100 0.117 0.000 1.469 311 R CB -0.074 30.303 30.300 0.130 0.000 1.190 311 R HN -0.097 nan 8.270 nan 0.000 0.721 312 N N 0.394 119.118 118.700 0.041 0.000 2.708 312 N HA -0.180 4.560 4.740 -0.000 0.000 0.251 312 N C -0.847 174.673 175.510 0.017 0.000 1.123 312 N CA 1.406 54.463 53.050 0.012 0.000 0.739 312 N CB -1.538 36.988 38.487 0.065 0.000 1.113 312 N HN 0.473 nan 8.380 nan 0.000 0.561 313 C N 1.018 120.340 119.300 0.036 0.000 2.576 313 C HA 0.410 4.870 4.460 -0.000 0.000 0.401 313 C C 1.113 176.129 174.990 0.043 0.000 1.314 313 C CA -0.653 58.398 59.018 0.055 0.000 1.855 313 C CB 0.292 28.078 27.740 0.077 0.000 2.537 313 C HN 0.077 nan 8.230 nan 0.000 0.578 314 V N 4.700 124.654 119.914 0.066 0.000 2.398 314 V HA 0.429 4.549 4.120 -0.000 0.000 0.286 314 V C 0.216 176.411 176.094 0.169 0.000 1.026 314 V CA -0.071 62.276 62.300 0.079 0.000 0.868 314 V CB 1.835 33.658 31.823 -0.000 0.000 0.982 314 V HN 0.957 nan 8.190 nan 0.000 0.443 315 T N 4.684 119.296 114.554 0.096 0.000 2.809 315 T HA 0.641 4.991 4.350 -0.000 0.000 0.296 315 T C 0.312 175.013 174.700 0.001 0.000 1.015 315 T CA -0.176 61.965 62.100 0.068 0.000 0.954 315 T CB 1.396 70.310 68.868 0.077 0.000 0.950 315 T HN 0.904 nan 8.240 nan 0.000 0.450 316 A N 2.976 125.743 122.820 -0.088 0.000 2.327 316 A HA 0.370 4.690 4.320 -0.000 0.000 0.255 316 A C 0.331 177.858 177.584 -0.095 0.000 1.099 316 A CA -0.501 51.364 52.037 -0.285 0.000 0.801 316 A CB -0.018 18.556 19.000 -0.710 0.000 1.062 316 A HN 0.840 nan 8.150 nan 0.000 0.496 317 H N -0.153 118.976 119.070 0.098 0.000 3.125 317 H HA 0.223 4.779 4.556 -0.000 0.000 0.310 317 H C 1.509 177.056 175.328 0.364 0.000 0.980 317 H CA 1.658 57.885 56.048 0.298 0.000 1.422 317 H CB 0.156 30.180 29.762 0.436 0.000 1.432 317 H HN 1.275 nan 8.280 nan 0.000 0.577 318 G N 2.374 111.442 108.800 0.446 0.000 2.234 318 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.235 318 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.235 318 G C 0.844 175.960 174.900 0.360 0.000 0.997 318 G CA -0.022 45.334 45.100 0.427 0.000 0.623 318 G HN 0.983 nan 8.290 nan 0.000 0.514 319 G N 0.737 109.707 108.800 0.282 0.000 2.272 319 G HA2 0.430 4.390 3.960 -0.000 0.000 0.247 319 G HA3 0.430 4.390 3.960 -0.000 0.000 0.247 319 G C -0.028 175.019 174.900 0.245 0.000 1.272 319 G CA 0.449 45.666 45.100 0.196 0.000 0.921 319 G HN 0.571 nan 8.290 nan 0.000 0.495 320 K N 2.410 122.899 120.400 0.148 0.000 2.463 320 K HA 0.467 4.787 4.320 -0.000 0.000 0.255 320 K C -0.791 175.774 176.600 -0.059 0.000 0.942 320 K CA -0.504 55.834 56.287 0.085 0.000 0.814 320 K CB 2.395 34.824 32.500 -0.119 0.000 1.122 320 K HN 0.369 nan 8.250 nan 0.000 0.425 321 I N 4.374 124.959 120.570 0.025 0.000 2.447 321 I HA 0.415 4.585 4.170 -0.000 0.000 0.287 321 I C -0.946 175.178 176.117 0.012 0.000 1.023 321 I CA -1.039 60.247 61.300 -0.023 0.000 1.083 321 I CB 1.399 39.423 38.000 0.040 0.000 1.245 321 I HN 0.423 nan 8.210 nan 0.000 0.434 322 I N 5.979 126.504 120.570 -0.075 0.000 2.478 322 I HA 0.357 4.527 4.170 -0.000 0.000 0.287 322 I C -0.054 176.047 176.117 -0.028 0.000 1.042 322 I CA -0.373 60.915 61.300 -0.020 0.000 1.067 322 I CB 1.453 39.419 38.000 -0.056 0.000 1.233 322 I HN 0.492 nan 8.210 nan 0.000 0.431 323 N N 3.607 122.318 118.700 0.018 0.000 2.738 323 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 323 N C -0.637 174.874 175.510 0.001 0.000 1.047 323 N CA 1.007 54.063 53.050 0.010 0.000 0.707 323 N CB -0.489 37.998 38.487 0.000 0.000 0.937 323 N HN 0.776 nan 8.380 nan 0.000 0.545 324 A N -0.044 122.788 122.820 0.021 0.000 2.413 324 A HA 0.651 4.971 4.320 -0.000 0.000 0.307 324 A C -0.670 176.981 177.584 0.111 0.000 1.087 324 A CA -0.590 51.468 52.037 0.036 0.000 0.750 324 A CB 1.652 20.654 19.000 0.003 0.000 1.296 324 A HN 0.416 nan 8.150 nan 0.000 0.423 325 H N 1.787 120.843 119.070 -0.023 0.000 2.708 325 H HA 0.569 5.125 4.556 -0.000 0.000 0.320 325 H C -1.794 173.526 175.328 -0.014 0.000 0.991 325 H CA -0.687 55.351 56.048 -0.016 0.000 1.243 325 H CB 0.691 30.430 29.762 -0.039 0.000 1.446 325 H HN 0.434 nan 8.280 nan 0.000 0.502 326 L N 4.629 125.901 121.223 0.080 0.000 2.317 326 L HA 0.368 4.708 4.340 -0.000 0.000 0.281 326 L C 1.133 177.953 176.870 -0.083 0.000 1.024 326 L CA -0.022 54.795 54.840 -0.039 0.000 0.810 326 L CB 1.781 43.865 42.059 0.042 0.000 1.240 326 L HN 0.802 nan 8.230 nan 0.000 0.427 327 G N 0.868 109.583 108.800 -0.141 0.000 2.679 327 G HA2 0.082 4.042 3.960 -0.000 0.000 0.202 327 G HA3 0.082 4.042 3.960 -0.000 0.000 0.202 327 G C -0.420 174.489 174.900 0.014 0.000 1.566 327 G CA -0.110 44.935 45.100 -0.091 0.000 1.074 327 G HN 0.533 nan 8.290 nan 0.000 0.564 331 F N 5.256 125.212 119.950 0.010 0.000 2.347 331 F HA 0.641 5.168 4.527 -0.000 0.000 0.366 331 F C -0.120 175.661 175.800 -0.030 0.000 1.107 331 F CA -0.824 57.172 58.000 -0.005 0.000 1.058 331 F CB 1.129 40.140 39.000 0.018 0.000 1.236 331 F HN 0.401 nan 8.300 nan 0.000 0.456 332 T N 5.247 119.831 114.554 0.050 0.000 2.738 332 T HA 0.507 4.857 4.350 -0.000 0.000 0.298 332 T C 0.626 175.148 174.700 -0.297 0.000 0.962 332 T CA -0.427 61.602 62.100 -0.118 0.000 0.972 332 T CB 0.804 69.661 68.868 -0.019 0.000 0.928 332 T HN 0.780 nan 8.240 nan 0.000 0.474 333 G N 1.981 110.555 108.800 -0.377 0.000 2.569 333 G HA2 0.447 4.407 3.960 -0.000 0.000 0.249 333 G HA3 0.447 4.407 3.960 -0.000 0.000 0.249 333 G C -0.195 174.627 174.900 -0.131 0.000 1.216 333 G CA -0.698 44.154 45.100 -0.413 0.000 0.845 333 G HN 0.612 nan 8.290 nan 0.000 0.568 334 F N 0.692 120.624 119.950 -0.029 0.000 2.452 334 F HA -0.148 4.379 4.527 -0.000 0.000 0.403 334 F C 1.525 177.413 175.800 0.147 0.000 0.972 334 F CA 1.243 59.322 58.000 0.132 0.000 1.194 334 F CB 0.019 39.175 39.000 0.260 0.000 0.908 334 F HN 0.527 nan 8.300 nan 0.000 0.555 335 N N 0.167 119.076 118.700 0.348 0.000 2.708 335 N HA -0.235 4.505 4.740 -0.000 0.000 0.251 335 N C -0.218 175.379 175.510 0.146 0.000 1.123 335 N CA 0.990 54.167 53.050 0.213 0.000 0.739 335 N CB -1.319 37.155 38.487 -0.022 0.000 1.113 335 N HN 0.436 nan 8.380 nan 0.000 0.561 336 S N 0.051 115.845 115.700 0.158 0.000 2.562 336 S HA 0.317 4.787 4.470 -0.000 0.000 0.281 336 S C -0.001 174.695 174.600 0.160 0.000 1.333 336 S CA -0.212 58.077 58.200 0.147 0.000 1.052 336 S CB 0.614 63.854 63.200 0.067 0.000 0.884 336 S HN 0.296 nan 8.310 nan 0.000 0.506 337 F N 4.041 123.958 119.950 -0.054 0.000 2.434 337 F HA 0.445 4.972 4.527 -0.000 0.000 0.367 337 F C -1.038 174.674 175.800 -0.147 0.000 1.093 337 F CA -0.858 57.039 58.000 -0.172 0.000 1.085 337 F CB 0.256 39.097 39.000 -0.264 0.000 1.322 337 F HN 0.363 nan 8.300 nan 0.000 0.452 338 L N 6.086 127.042 121.223 -0.445 0.000 2.321 338 L HA 0.409 4.749 4.340 -0.000 0.000 0.272 338 L C -0.389 176.181 176.870 -0.501 0.000 1.050 338 L CA -0.327 54.291 54.840 -0.370 0.000 0.893 338 L CB 1.013 42.956 42.059 -0.194 0.000 1.272 338 L HN 0.549 nan 8.230 nan 0.000 0.435 339 Q N 2.027 121.474 119.800 -0.589 0.000 2.347 339 Q HA 0.571 4.911 4.340 -0.000 0.000 0.262 339 Q C -0.096 175.775 176.000 -0.214 0.000 0.980 339 Q CA -0.423 55.102 55.803 -0.463 0.000 0.867 339 Q CB 1.941 30.336 28.738 -0.571 0.000 1.242 339 Q HN 0.675 nan 8.270 nan 0.000 0.453 340 G N 1.533 110.247 108.800 -0.143 0.000 2.705 340 G HA2 0.635 4.595 3.960 -0.000 0.000 0.299 340 G HA3 0.635 4.595 3.960 -0.000 0.000 0.299 340 G C -0.657 174.216 174.900 -0.045 0.000 1.315 340 G CA -0.145 44.906 45.100 -0.081 0.000 1.045 340 G HN 0.711 nan 8.290 nan 0.000 0.517 341 S N -2.084 113.601 115.700 -0.025 0.000 2.971 341 S HA 0.416 4.886 4.470 -0.000 0.000 0.320 341 S C 0.843 175.439 174.600 -0.006 0.000 1.111 341 S CA -0.058 58.139 58.200 -0.005 0.000 0.870 341 S CB 1.643 64.846 63.200 0.005 0.000 1.331 341 S HN 0.609 nan 8.310 nan 0.000 0.635 342 E N 0.309 120.508 120.200 -0.000 0.000 2.170 342 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 342 E C 1.611 178.206 176.600 -0.008 0.000 0.981 342 E CA 1.104 57.502 56.400 -0.004 0.000 0.830 342 E CB -0.022 29.678 29.700 -0.000 0.000 0.775 342 E HN 0.690 nan 8.360 nan 0.000 0.470 343 S N -1.016 114.681 115.700 -0.006 0.000 2.524 343 S HA 0.150 4.620 4.470 -0.000 0.000 0.216 343 S C 0.847 175.439 174.600 -0.013 0.000 0.987 343 S CA -0.295 57.900 58.200 -0.008 0.000 0.909 343 S CB 0.729 63.926 63.200 -0.004 0.000 0.781 343 S HN -0.034 nan 8.310 nan 0.000 0.521 344 S N 3.563 119.254 115.700 -0.016 0.000 2.235 344 S HA 0.406 4.876 4.470 -0.000 0.000 0.152 344 S C -2.886 171.695 174.600 -0.031 0.000 1.649 344 S CA -1.040 57.145 58.200 -0.025 0.000 1.277 344 S CB 1.233 64.417 63.200 -0.026 0.000 1.299 344 S HN 0.384 nan 8.310 nan 0.000 0.388 345 P HA 0.282 nan 4.420 nan 0.000 0.275 345 P C -0.724 176.554 177.300 -0.036 0.000 1.228 345 P CA -0.632 62.453 63.100 -0.026 0.000 0.786 345 P CB 0.798 32.488 31.700 -0.016 0.000 0.927 346 L N 2.864 124.066 121.223 -0.035 0.000 2.313 346 L HA 0.485 4.825 4.340 -0.000 0.000 0.283 346 L C -0.388 176.461 176.870 -0.034 0.000 1.013 346 L CA -0.178 54.630 54.840 -0.053 0.000 0.816 346 L CB 1.169 43.182 42.059 -0.076 0.000 1.236 346 L HN 0.220 nan 8.230 nan 0.000 0.419 347 K N 6.445 126.807 120.400 -0.063 0.000 2.345 347 K HA 0.615 4.935 4.320 -0.000 0.000 0.255 347 K C -1.366 175.160 176.600 -0.124 0.000 0.934 347 K CA -0.566 55.671 56.287 -0.084 0.000 0.801 347 K CB 2.177 34.625 32.500 -0.087 0.000 1.137 347 K HN 0.572 nan 8.250 nan 0.000 0.424 348 I N 2.125 122.610 120.570 -0.141 0.000 2.439 348 I HA 0.204 4.374 4.170 -0.000 0.000 0.283 348 I C 0.610 176.634 176.117 -0.156 0.000 1.023 348 I CA -0.785 60.430 61.300 -0.141 0.000 1.100 348 I CB 1.840 39.778 38.000 -0.103 0.000 1.238 348 I HN 0.672 nan 8.210 nan 0.000 0.445 349 G N 3.870 112.572 108.800 -0.164 0.000 2.664 349 G HA2 0.067 4.027 3.960 -0.000 0.000 0.242 349 G HA3 0.067 4.027 3.960 -0.000 0.000 0.242 349 G C -0.183 174.657 174.900 -0.101 0.000 1.225 349 G CA -0.375 44.637 45.100 -0.147 0.000 0.849 349 G HN 0.573 nan 8.290 nan 0.000 0.581 350 D N -0.170 120.186 120.400 -0.074 0.000 2.730 350 D HA 0.248 4.888 4.640 -0.000 0.000 0.225 350 D C 1.528 177.828 176.300 0.000 0.000 1.107 350 D CA 1.992 55.978 54.000 -0.022 0.000 0.837 350 D CB 0.484 41.281 40.800 -0.006 0.000 1.171 350 D HN 0.969 nan 8.370 nan 0.000 0.498 351 G N 1.590 110.422 108.800 0.053 0.000 2.184 351 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.264 351 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.264 351 G C 0.665 175.678 174.900 0.189 0.000 0.975 351 G CA 0.286 45.469 45.100 0.138 0.000 0.642 351 G HN 0.705 nan 8.290 nan 0.000 0.536 352 C N 0.158 119.489 119.300 0.051 0.000 2.665 352 C HA 0.444 4.904 4.460 -0.000 0.000 0.416 352 C C 1.200 176.288 174.990 0.163 0.000 1.305 352 C CA -0.004 59.023 59.018 0.016 0.000 1.903 352 C CB 0.782 28.482 27.740 -0.066 0.000 2.704 352 C HN 0.423 nan 8.230 nan 0.000 0.629 353 V N 5.239 125.274 119.914 0.202 0.000 2.357 353 V HA 0.352 4.472 4.120 -0.000 0.000 0.284 353 V C 0.293 176.324 176.094 -0.106 0.000 1.018 353 V CA -0.149 62.188 62.300 0.063 0.000 0.841 353 V CB 1.198 32.982 31.823 -0.064 0.000 0.991 353 V HN 0.768 nan 8.190 nan 0.000 0.437 357 H N -1.571 117.487 119.070 -0.020 0.000 2.992 357 H HA -0.092 4.464 4.556 -0.000 0.000 0.266 357 H C -0.351 175.172 175.328 0.326 0.000 1.200 357 H CA 1.019 57.040 56.048 -0.046 0.000 1.135 357 H CB -1.333 28.253 29.762 -0.293 0.000 1.282 357 H HN 0.419 nan 8.280 nan 0.000 0.351 358 T N 1.928 116.671 114.554 0.316 0.000 2.901 358 T HA 0.443 4.793 4.350 -0.000 0.000 0.301 358 T C 0.983 175.841 174.700 0.265 0.000 1.012 358 T CA 0.019 62.285 62.100 0.276 0.000 1.135 358 T CB 1.294 70.210 68.868 0.080 0.000 0.936 358 T HN 0.194 nan 8.240 nan 0.000 0.539 359 I N 4.171 124.908 120.570 0.278 0.000 2.439 359 I HA 0.408 4.578 4.170 -0.000 0.000 0.283 359 I C -0.467 175.641 176.117 -0.014 0.000 1.023 359 I CA -0.553 60.833 61.300 0.143 0.000 1.100 359 I CB 1.222 39.252 38.000 0.051 0.000 1.238 359 I HN 0.450 nan 8.210 nan 0.000 0.445 360 I N 5.334 125.842 120.570 -0.103 0.000 2.362 360 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 360 I C -0.799 175.208 176.117 -0.184 0.000 0.994 360 I CA -0.226 60.950 61.300 -0.207 0.000 1.158 360 I CB 1.668 39.549 38.000 -0.198 0.000 1.315 360 I HN 0.458 nan 8.210 nan 0.000 0.451 361 D N 7.506 127.792 120.400 -0.190 0.000 2.378 361 D HA 0.329 4.969 4.640 -0.000 0.000 0.265 361 D C -0.515 175.742 176.300 -0.072 0.000 1.229 361 D CA -0.298 53.676 54.000 -0.042 0.000 0.914 361 D CB 0.895 41.804 40.800 0.182 0.000 1.140 361 D HN 0.298 nan 8.370 nan 0.000 0.516 362 L N 2.356 123.531 121.223 -0.080 0.000 2.453 362 L HA 0.190 4.530 4.340 -0.000 0.000 0.272 362 L C 1.470 178.319 176.870 -0.035 0.000 1.182 362 L CA 0.297 55.091 54.840 -0.077 0.000 0.858 362 L CB 0.952 42.965 42.059 -0.078 0.000 1.120 362 L HN 0.398 nan 8.230 nan 0.000 0.474 363 E N 1.269 121.446 120.200 -0.038 0.000 2.447 363 E HA 0.028 4.378 4.350 -0.000 0.000 0.204 363 E C -0.278 176.310 176.600 -0.019 0.000 0.977 363 E CA 0.093 56.484 56.400 -0.014 0.000 0.950 363 E CB 0.722 30.418 29.700 -0.007 0.000 0.975 363 E HN 0.695 nan 8.360 nan 0.000 0.496 364 E N 0.288 120.468 120.200 -0.034 0.000 2.390 364 E HA 0.383 4.733 4.350 -0.000 0.000 0.277 364 E C -2.956 173.618 176.600 -0.044 0.000 0.939 364 E CA -2.737 53.643 56.400 -0.033 0.000 0.769 364 E CB 1.652 31.332 29.700 -0.032 0.000 1.251 364 E HN -0.298 nan 8.360 nan 0.000 0.450 365 P HA 0.029 nan 4.420 nan 0.000 0.264 365 P C -1.106 176.159 177.300 -0.058 0.000 1.179 365 P CA 0.039 63.112 63.100 -0.045 0.000 0.763 365 P CB 0.289 31.967 31.700 -0.037 0.000 0.806 366 L N 1.999 123.181 121.223 -0.069 0.000 2.493 366 L HA 0.455 4.795 4.340 -0.000 0.000 0.265 366 L C -0.880 175.933 176.870 -0.095 0.000 0.954 366 L CA -0.413 54.374 54.840 -0.087 0.000 0.844 366 L CB 2.209 44.205 42.059 -0.105 0.000 1.302 366 L HN 0.273 nan 8.230 nan 0.000 0.405 367 E N 5.113 125.248 120.200 -0.107 0.000 2.199 367 E HA 0.496 4.846 4.350 -0.000 0.000 0.265 367 E C -1.401 175.099 176.600 -0.167 0.000 0.882 367 E CA -0.619 55.707 56.400 -0.124 0.000 0.759 367 E CB 1.360 30.996 29.700 -0.108 0.000 1.148 367 E HN 0.613 nan 8.360 nan 0.000 0.412 368 I N 6.180 126.636 120.570 -0.190 0.000 2.331 368 I HA 0.306 4.476 4.170 -0.000 0.000 0.292 368 I C -2.068 173.866 176.117 -0.306 0.000 0.998 368 I CA -2.313 58.831 61.300 -0.261 0.000 1.267 368 I CB 1.081 38.944 38.000 -0.229 0.000 1.386 368 I HN 0.367 nan 8.210 nan 0.000 0.476 369 P HA 0.128 nan 4.420 nan 0.000 0.272 369 P C -0.396 176.708 177.300 -0.327 0.000 1.240 369 P CA -0.400 62.458 63.100 -0.403 0.000 0.791 369 P CB 0.559 31.958 31.700 -0.502 0.000 0.978 370 A N 1.219 123.936 122.820 -0.172 0.000 2.483 370 A HA 0.424 4.744 4.320 -0.000 0.000 0.238 370 A C 1.281 178.819 177.584 -0.076 0.000 1.070 370 A CA 0.549 52.522 52.037 -0.107 0.000 0.770 370 A CB -1.486 17.477 19.000 -0.062 0.000 1.008 370 A HN 0.908 nan 8.150 nan 0.000 0.497 371 G N 1.079 109.746 108.800 -0.222 0.000 2.295 371 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.287 371 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.287 371 G C -0.169 174.053 174.900 -1.130 0.000 1.055 371 G CA 0.822 45.541 45.100 -0.636 0.000 0.922 371 G HN 1.203 nan 8.290 nan 0.000 0.503 372 H N -1.691 116.765 119.070 -1.023 0.000 2.569 372 H HA 0.671 5.227 4.556 -0.000 0.000 0.357 372 H C 0.037 175.072 175.328 -0.488 0.000 1.153 372 H CA -0.986 54.641 56.048 -0.701 0.000 1.193 372 H CB 1.736 31.287 29.762 -0.351 0.000 1.602 372 H HN 0.280 nan 8.280 nan 0.000 0.523 373 L N 3.496 124.668 121.223 -0.084 0.000 2.264 373 L HA 0.493 4.833 4.340 -0.000 0.000 0.289 373 L C -1.163 175.735 176.870 0.047 0.000 1.044 373 L CA -0.348 54.548 54.840 0.094 0.000 0.807 373 L CB 0.507 42.629 42.059 0.106 0.000 1.192 373 L HN 0.413 nan 8.230 nan 0.000 0.425 374 V N 4.773 124.686 119.914 -0.002 0.000 2.769 374 V HA 0.705 4.825 4.120 -0.000 0.000 0.312 374 V C -0.714 175.404 176.094 0.039 0.000 1.061 374 V CA -0.535 61.685 62.300 -0.134 0.000 0.931 374 V CB 1.349 33.068 31.823 -0.173 0.000 1.010 374 V HN 0.971 nan 8.190 nan 0.000 0.433 375 W N 1.534 122.759 121.300 -0.125 0.000 2.961 375 W HA 0.852 5.512 4.660 -0.000 0.000 0.368 375 W C 0.309 176.663 176.519 -0.276 0.000 1.213 375 W CA -0.179 57.058 57.345 -0.181 0.000 1.173 375 W CB 0.333 29.703 29.460 -0.151 0.000 1.487 375 W HN 1.322 nan 8.180 nan 0.000 0.585 376 G N 0.645 109.295 108.800 -0.251 0.000 2.527 376 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.268 376 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.268 376 G C -1.540 173.276 174.900 -0.139 0.000 1.175 376 G CA 0.509 45.213 45.100 -0.659 0.000 0.962 376 G HN 1.568 nan 8.290 nan 0.000 0.560 377 Y N 0.774 120.788 120.300 -0.478 0.000 2.328 377 Y HA 0.753 5.303 4.550 -0.000 0.000 0.336 377 Y C -0.041 175.579 175.900 -0.468 0.000 0.960 377 Y CA -1.320 56.645 58.100 -0.225 0.000 1.134 377 Y CB 0.974 39.471 38.460 0.063 0.000 1.166 377 Y HN 0.575 nan 8.280 nan 0.000 0.464 378 I N 7.237 127.370 120.570 -0.729 0.000 2.548 378 I HA 0.429 4.599 4.170 -0.000 0.000 0.287 378 I C 0.169 175.956 176.117 -0.550 0.000 1.103 378 I CA -0.502 60.461 61.300 -0.562 0.000 1.049 378 I CB 2.157 39.933 38.000 -0.373 0.000 1.232 378 I HN 0.631 nan 8.210 nan 0.000 0.429 379 R N 3.039 123.280 120.500 -0.432 0.000 2.287 379 R HA 0.253 4.593 4.340 -0.000 0.000 0.197 379 R C -0.029 176.180 176.300 -0.152 0.000 0.900 379 R CA 0.157 56.097 56.100 -0.267 0.000 1.052 379 R CB 0.292 30.478 30.300 -0.190 0.000 1.117 379 R HN 0.738 nan 8.270 nan 0.000 0.568 380 N N -1.250 117.370 118.700 -0.134 0.000 3.479 380 N HA 0.115 4.855 4.740 -0.000 0.000 0.336 380 N C 0.147 175.606 175.510 -0.085 0.000 1.623 380 N CA -0.832 52.165 53.050 -0.087 0.000 0.759 380 N CB 0.530 38.987 38.487 -0.050 0.000 2.016 380 N HN -0.430 nan 8.380 nan 0.000 0.637 381 K N -1.135 119.228 120.400 -0.061 0.000 2.137 381 K HA 0.299 4.619 4.320 -0.000 0.000 0.202 381 K C 1.901 178.476 176.600 -0.042 0.000 1.052 381 K CA 0.946 57.197 56.287 -0.060 0.000 0.961 381 K CB -1.111 31.360 32.500 -0.050 0.000 0.741 381 K HN 0.586 nan 8.250 nan 0.000 0.452 382 A N 1.898 124.704 122.820 -0.022 0.000 1.902 382 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 382 A C 1.880 179.474 177.584 0.016 0.000 1.181 382 A CA 2.031 54.068 52.037 -0.000 0.000 0.623 382 A CB -0.557 18.451 19.000 0.014 0.000 0.818 382 A HN 0.385 nan 8.150 nan 0.000 0.443 383 D N -0.644 119.764 120.400 0.014 0.000 2.183 383 D HA -0.086 4.554 4.640 -0.000 0.000 0.203 383 D C 1.782 178.122 176.300 0.066 0.000 0.969 383 D CA 0.999 55.043 54.000 0.074 0.000 0.842 383 D CB -0.298 40.471 40.800 -0.052 0.000 0.957 383 D HN 0.369 nan 8.370 nan 0.000 0.484 384 L N 0.575 121.766 121.223 -0.053 0.000 2.201 384 L HA 0.043 4.383 4.340 -0.000 0.000 0.212 384 L C 1.940 178.746 176.870 -0.106 0.000 1.105 384 L CA 1.299 56.069 54.840 -0.116 0.000 0.775 384 L CB -0.485 41.492 42.059 -0.136 0.000 0.913 384 L HN -0.057 nan 8.230 nan 0.000 0.440 385 A N -0.640 122.146 122.820 -0.058 0.000 1.968 385 A HA 0.131 4.451 4.320 -0.000 0.000 0.217 385 A C 2.312 179.859 177.584 -0.061 0.000 1.169 385 A CA 1.178 53.188 52.037 -0.046 0.000 0.638 385 A CB -0.790 18.198 19.000 -0.020 0.000 0.812 385 A HN 0.510 nan 8.150 nan 0.000 0.446 386 A N -1.801 120.976 122.820 -0.071 0.000 2.178 386 A HA 0.175 4.495 4.320 -0.000 0.000 0.211 386 A C 1.088 178.431 177.584 -0.401 0.000 1.157 386 A CA 0.967 52.904 52.037 -0.167 0.000 0.780 386 A CB -0.346 18.562 19.000 -0.154 0.000 0.828 386 A HN 0.609 nan 8.150 nan 0.000 0.476 387 H N -0.765 118.097 119.070 -0.348 0.000 2.665 387 H HA 0.348 4.904 4.556 -0.000 0.000 0.248 387 H C -0.279 174.133 175.328 -1.526 0.000 1.175 387 H CA 0.372 55.849 56.048 -0.951 0.000 0.952 387 H CB 0.593 29.906 29.762 -0.749 0.000 1.883 387 H HN 0.423 nan 8.280 nan 0.000 0.623 388 S N -0.356 114.805 115.700 -0.898 0.000 2.615 388 S HA 0.627 5.097 4.470 -0.000 0.000 0.269 388 S C -1.312 173.208 174.600 -0.134 0.000 1.161 388 S CA -0.865 56.961 58.200 -0.623 0.000 0.817 388 S CB 2.125 65.158 63.200 -0.278 0.000 1.131 388 S HN 0.170 nan 8.310 nan 0.000 0.467 389 I N 1.428 121.994 120.570 -0.007 0.000 2.787 389 I HA 0.500 4.670 4.170 -0.000 0.000 0.294 389 I C -0.470 175.465 176.117 -0.305 0.000 1.365 389 I CA -0.257 61.038 61.300 -0.008 0.000 1.029 389 I CB 2.301 40.407 38.000 0.178 0.000 1.313 389 I HN 1.072 nan 8.210 nan 0.000 0.431 390 S N 5.390 120.761 115.700 -0.548 0.000 2.576 390 S HA 0.230 4.700 4.470 -0.000 0.000 0.276 390 S C 0.942 175.470 174.600 -0.120 0.000 1.339 390 S CA -0.323 57.404 58.200 -0.788 0.000 1.039 390 S CB 0.553 63.413 63.200 -0.567 0.000 0.902 390 S HN 0.507 nan 8.310 nan 0.000 0.516 391 F N 1.018 120.878 119.950 -0.150 0.000 2.192 391 F HA -0.054 4.473 4.527 -0.000 0.000 0.301 391 F C 2.459 178.292 175.800 0.056 0.000 1.079 391 F CA 1.423 59.429 58.000 0.010 0.000 1.303 391 F CB -1.046 37.965 39.000 0.018 0.000 1.024 391 F HN 0.855 nan 8.300 nan 0.000 0.494 392 E N -0.039 120.271 120.200 0.184 0.000 2.107 392 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 392 E C 1.936 178.598 176.600 0.103 0.000 0.982 392 E CA 0.910 57.384 56.400 0.124 0.000 0.809 392 E CB 0.168 29.910 29.700 0.071 0.000 0.756 392 E HN 0.218 nan 8.360 nan 0.000 0.459 393 E N -0.077 120.183 120.200 0.099 0.000 2.122 393 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 393 E C 1.690 178.370 176.600 0.132 0.000 0.977 393 E CA 0.426 56.883 56.400 0.094 0.000 0.820 393 E CB -0.282 29.465 29.700 0.079 0.000 0.770 393 E HN 0.271 nan 8.360 nan 0.000 0.462 394 F N 1.561 121.533 119.950 0.037 0.000 2.259 394 F HA 0.018 4.545 4.527 -0.000 0.000 0.298 394 F C 2.066 177.878 175.800 0.021 0.000 1.088 394 F CA 0.952 58.965 58.000 0.021 0.000 1.358 394 F CB -0.079 38.947 39.000 0.043 0.000 1.040 394 F HN -0.047 nan 8.300 nan 0.000 0.505 395 A N -0.395 122.497 122.820 0.120 0.000 2.216 395 A HA -0.143 4.177 4.320 -0.000 0.000 0.214 395 A C 2.067 179.638 177.584 -0.023 0.000 1.160 395 A CA 1.210 53.276 52.037 0.049 0.000 0.725 395 A CB -0.640 18.416 19.000 0.094 0.000 0.784 395 A HN 0.433 nan 8.150 nan 0.000 0.472 396 K N -0.688 119.685 120.400 -0.045 0.000 2.361 396 K HA 0.153 4.473 4.320 -0.000 0.000 0.196 396 K C -0.143 176.412 176.600 -0.075 0.000 1.039 396 K CA -0.035 56.230 56.287 -0.036 0.000 1.001 396 K CB 0.312 32.806 32.500 -0.010 0.000 0.795 396 K HN 0.262 nan 8.250 nan 0.000 0.495 397 V N 2.509 122.316 119.914 -0.178 0.000 2.508 397 V HA 0.014 4.134 4.120 -0.000 0.000 0.281 397 V C -0.380 175.666 176.094 -0.081 0.000 1.041 397 V CA 0.036 62.226 62.300 -0.184 0.000 1.016 397 V CB 0.962 32.531 31.823 -0.423 0.000 0.984 397 V HN 0.141 nan 8.190 nan 0.000 0.478 398 D N 3.436 123.823 120.400 -0.022 0.000 2.364 398 D HA 0.586 5.226 4.640 -0.000 0.000 0.251 398 D C 0.097 176.402 176.300 0.009 0.000 1.282 398 D CA 0.805 54.811 54.000 0.010 0.000 0.927 398 D CB 0.878 41.682 40.800 0.007 0.000 1.267 398 D HN 0.777 nan 8.370 nan 0.000 0.531 399 G N 2.546 111.356 108.800 0.016 0.000 2.384 399 G HA2 0.068 4.028 3.960 -0.000 0.000 0.150 399 G HA3 0.068 4.028 3.960 -0.000 0.000 0.150 399 G C -1.245 173.656 174.900 0.003 0.000 1.269 399 G CA -0.721 44.377 45.100 -0.002 0.000 1.094 399 G HN 0.274 nan 8.290 nan 0.000 0.467 400 E N -0.895 119.312 120.200 0.012 0.000 2.207 400 E HA 0.670 5.020 4.350 -0.000 0.000 0.270 400 E C -1.050 175.593 176.600 0.071 0.000 0.927 400 E CA -0.816 55.599 56.400 0.026 0.000 0.799 400 E CB 2.933 32.628 29.700 -0.008 0.000 1.172 400 E HN 0.405 nan 8.360 nan 0.000 0.404 401 V N 1.512 121.497 119.914 0.119 0.000 2.925 401 V HA 0.478 4.598 4.120 -0.000 0.000 0.311 401 V C -0.325 175.824 176.094 0.092 0.000 1.104 401 V CA -0.626 61.745 62.300 0.119 0.000 0.954 401 V CB 2.402 34.327 31.823 0.171 0.000 1.022 401 V HN 0.759 nan 8.190 nan 0.000 0.427 408 F N 2.615 122.459 119.950 -0.176 0.000 2.581 408 F HA 0.790 5.317 4.527 -0.000 0.000 0.311 408 F C -0.885 174.877 175.800 -0.063 0.000 1.113 408 F CA -0.728 57.208 58.000 -0.106 0.000 0.935 408 F CB 1.495 40.499 39.000 0.007 0.000 1.232 408 F HN 0.468 nan 8.300 nan 0.000 0.445 409 R N 4.318 124.286 120.500 -0.888 0.000 2.514 409 R HA 0.682 5.022 4.340 -0.000 0.000 0.296 409 R C -0.543 175.188 176.300 -0.948 0.000 1.012 409 R CA -0.087 55.624 56.100 -0.649 0.000 0.897 409 R CB 1.564 31.680 30.300 -0.308 0.000 1.184 409 R HN 1.135 nan 8.270 nan 0.000 0.440 410 G N 2.884 111.347 108.800 -0.562 0.000 2.260 410 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.250 410 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.250 410 G C -1.692 173.259 174.900 0.086 0.000 1.340 410 G CA -0.925 44.016 45.100 -0.265 0.000 1.056 410 G HN 0.393 nan 8.290 nan 0.000 0.471 411 K N 0.814 121.331 120.400 0.195 0.000 2.265 411 K HA 0.511 4.831 4.320 -0.000 0.000 0.267 411 K C 1.213 177.982 176.600 0.282 0.000 0.994 411 K CA -0.171 56.232 56.287 0.194 0.000 0.860 411 K CB 1.915 34.487 32.500 0.120 0.000 1.099 411 K HN 0.721 nan 8.250 nan 0.000 0.448 412 G N 2.548 111.359 108.800 0.018 0.000 2.422 412 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 412 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 412 G C 1.256 176.261 174.900 0.175 0.000 1.140 412 G CA 0.848 45.794 45.100 -0.257 0.000 0.775 412 G HN 0.725 nan 8.290 nan 0.000 0.545 413 G N 1.537 110.404 108.800 0.111 0.000 2.434 413 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.214 413 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.214 413 G C 0.028 175.020 174.900 0.153 0.000 1.202 413 G CA 1.086 46.258 45.100 0.120 0.000 0.788 413 G HN 0.363 nan 8.290 nan 0.000 0.539 414 P HA -0.103 nan 4.420 nan 0.000 0.216 414 P C 1.514 178.961 177.300 0.245 0.000 1.150 414 P CA 0.569 63.772 63.100 0.171 0.000 0.837 414 P CB -0.102 31.697 31.700 0.166 0.000 0.786 415 F N 0.055 120.135 119.950 0.216 0.000 2.134 415 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 415 F C 1.932 177.911 175.800 0.299 0.000 1.097 415 F CA 1.416 59.599 58.000 0.304 0.000 1.264 415 F CB -0.881 38.425 39.000 0.510 0.000 1.001 415 F HN -0.245 nan 8.300 nan 0.000 0.479 416 L N -0.298 121.070 121.223 0.242 0.000 2.093 416 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 416 L C 1.849 178.694 176.870 -0.041 0.000 1.085 416 L CA 1.193 56.033 54.840 0.001 0.000 0.755 416 L CB -0.715 41.259 42.059 -0.141 0.000 0.904 416 L HN 0.025 nan 8.230 nan 0.000 0.435 417 D N -0.701 119.697 120.400 -0.004 0.000 2.312 417 D HA -0.110 4.530 4.640 -0.000 0.000 0.211 417 D C 2.336 178.621 176.300 -0.025 0.000 0.964 417 D CA 1.307 55.294 54.000 -0.020 0.000 0.877 417 D CB 0.126 40.929 40.800 0.005 0.000 0.924 417 D HN 0.313 nan 8.370 nan 0.000 0.515 418 S N -0.663 115.003 115.700 -0.056 0.000 2.436 418 S HA -0.072 4.398 4.470 -0.000 0.000 0.228 418 S C 1.908 176.371 174.600 -0.228 0.000 1.014 418 S CA 0.297 58.403 58.200 -0.157 0.000 0.950 418 S CB -0.514 62.543 63.200 -0.238 0.000 0.784 418 S HN 0.096 nan 8.310 nan 0.000 0.504 419 F N 2.065 121.932 119.950 -0.138 0.000 2.187 419 F HA 0.295 4.822 4.527 -0.000 0.000 0.295 419 F C 2.579 178.365 175.800 -0.024 0.000 1.091 419 F CA 0.811 58.797 58.000 -0.024 0.000 1.308 419 F CB -0.167 38.790 39.000 -0.072 0.000 1.030 419 F HN 0.097 nan 8.300 nan 0.000 0.487 420 K N 0.195 120.652 120.400 0.096 0.000 2.148 420 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 420 K C 2.019 178.597 176.600 -0.037 0.000 1.050 420 K CA 0.963 57.252 56.287 0.005 0.000 0.942 420 K CB -0.168 32.311 32.500 -0.035 0.000 0.724 420 K HN 0.166 nan 8.250 nan 0.000 0.446 421 K N 0.933 121.314 120.400 -0.032 0.000 2.155 421 K HA -0.111 4.209 4.320 -0.000 0.000 0.203 421 K C 2.193 178.762 176.600 -0.052 0.000 1.052 421 K CA 0.826 57.092 56.287 -0.035 0.000 0.948 421 K CB 0.129 32.613 32.500 -0.028 0.000 0.728 421 K HN 0.029 nan 8.250 nan 0.000 0.448 422 R N 0.704 121.159 120.500 -0.076 0.000 2.055 422 R HA -0.001 4.339 4.340 -0.000 0.000 0.226 422 R C 2.329 178.477 176.300 -0.254 0.000 1.135 422 R CA 0.878 56.922 56.100 -0.094 0.000 0.959 422 R CB -0.217 30.082 30.300 -0.002 0.000 0.854 422 R HN 0.155 nan 8.270 nan 0.000 0.431 423 I N 1.116 121.381 120.570 -0.508 0.000 2.226 423 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 423 I C 1.903 177.863 176.117 -0.262 0.000 1.100 423 I CA 1.580 62.467 61.300 -0.688 0.000 1.374 423 I CB -0.016 37.493 38.000 -0.820 0.000 1.057 423 I HN 0.094 nan 8.210 nan 0.000 0.413 424 K N 0.858 121.178 120.400 -0.133 0.000 2.057 424 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 424 K C 2.344 178.972 176.600 0.047 0.000 1.049 424 K CA 1.569 57.862 56.287 0.010 0.000 0.931 424 K CB -0.306 32.202 32.500 0.014 0.000 0.714 424 K HN 0.274 nan 8.250 nan 0.000 0.440 425 R N 0.142 120.639 120.500 -0.005 0.000 2.115 425 R HA -0.010 4.330 4.340 -0.000 0.000 0.226 425 R C 2.000 178.311 176.300 0.018 0.000 1.100 425 R CA 1.120 57.233 56.100 0.023 0.000 0.980 425 R CB -0.134 30.176 30.300 0.017 0.000 0.875 425 R HN 0.202 nan 8.270 nan 0.000 0.445 426 I N 0.851 121.405 120.570 -0.027 0.000 2.193 426 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 426 I C 2.259 178.354 176.117 -0.037 0.000 1.084 426 I CA 0.973 62.262 61.300 -0.019 0.000 1.365 426 I CB -0.253 37.704 38.000 -0.072 0.000 1.064 426 I HN 0.192 nan 8.210 nan 0.000 0.410 427 L N 0.007 121.180 121.223 -0.084 0.000 2.051 427 L HA -0.312 4.028 4.340 -0.000 0.000 0.214 427 L C 2.747 179.477 176.870 -0.234 0.000 1.076 427 L CA 1.694 56.420 54.840 -0.191 0.000 0.758 427 L CB -0.584 41.361 42.059 -0.189 0.000 0.890 427 L HN 0.278 nan 8.230 nan 0.000 0.433 428 S N -0.507 115.193 115.700 -0.000 0.000 2.345 428 S HA -0.179 4.291 4.470 -0.000 0.000 0.219 428 S C 1.805 176.404 174.600 -0.002 0.000 1.031 428 S CA 1.297 59.580 58.200 0.138 0.000 0.984 428 S CB -0.083 63.250 63.200 0.222 0.000 0.874 428 S HN 0.428 nan 8.310 nan 0.000 0.451 429 E N 0.699 120.875 120.200 -0.040 0.000 2.204 429 E HA -0.061 4.289 4.350 -0.000 0.000 0.195 429 E C 1.456 177.848 176.600 -0.347 0.000 0.990 429 E CA 0.766 57.065 56.400 -0.169 0.000 0.821 429 E CB -0.123 29.544 29.700 -0.055 0.000 0.750 429 E HN 0.407 nan 8.360 nan 0.000 0.477 430 N N -0.109 118.518 118.700 -0.123 0.000 2.494 430 N HA -0.028 4.712 4.740 -0.000 0.000 0.182 430 N C 0.738 176.181 175.510 -0.112 0.000 1.076 430 N CA 1.002 54.036 53.050 -0.027 0.000 0.908 430 N CB 0.574 39.052 38.487 -0.015 0.000 0.967 430 N HN 0.243 nan 8.380 nan 0.000 0.449 431 G N 0.042 108.751 108.800 -0.153 0.000 2.256 431 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.272 431 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.272 431 G C 0.897 175.719 174.900 -0.130 0.000 1.076 431 G CA 0.439 45.473 45.100 -0.110 0.000 0.882 431 G HN 0.481 nan 8.290 nan 0.000 0.497 432 A N -0.917 121.704 122.820 -0.333 0.000 2.119 432 A HA 0.501 4.821 4.320 -0.000 0.000 0.216 432 A C 1.319 178.627 177.584 -0.460 0.000 1.152 432 A CA 1.447 53.183 52.037 -0.502 0.000 0.708 432 A CB -0.145 18.357 19.000 -0.830 0.000 0.805 432 A HN 0.731 nan 8.150 nan 0.000 0.460 433 F N -1.644 118.353 119.950 0.077 0.000 2.750 433 F HA 0.350 4.877 4.527 -0.000 0.000 0.297 433 F C 0.106 175.978 175.800 0.120 0.000 1.138 433 F CA -1.940 56.103 58.000 0.072 0.000 1.346 433 F CB -0.461 38.562 39.000 0.038 0.000 0.965 433 F HN 0.150 nan 8.300 nan 0.000 0.514 434 F N 2.945 122.938 119.950 0.073 0.000 2.557 434 F HA 0.072 4.599 4.527 -0.000 0.000 0.384 434 F C 1.379 177.210 175.800 0.052 0.000 1.057 434 F CA -0.766 57.261 58.000 0.045 0.000 1.169 434 F CB 0.278 39.280 39.000 0.004 0.000 1.070 434 F HN 0.194 nan 8.300 nan 0.000 0.554 435 D N 2.141 122.305 120.400 -0.393 0.000 2.354 435 D HA 0.204 4.844 4.640 -0.000 0.000 0.209 435 D C 1.560 177.524 176.300 -0.561 0.000 1.015 435 D CA 0.793 54.594 54.000 -0.332 0.000 0.867 435 D CB 0.221 40.913 40.800 -0.180 0.000 0.933 435 D HN 0.739 nan 8.370 nan 0.000 0.520 436 G N -1.583 106.455 108.800 -1.271 0.000 2.255 436 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.196 436 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.196 436 G C 1.033 175.543 174.900 -0.651 0.000 0.998 436 G CA 0.514 45.004 45.100 -1.017 0.000 0.656 436 G HN 0.823 nan 8.290 nan 0.000 0.490 437 S N -0.059 115.314 115.700 -0.545 0.000 4.207 437 S HA 0.672 5.142 4.470 -0.000 0.000 0.177 437 S C 0.468 175.070 174.600 0.004 0.000 0.981 437 S CA 0.856 58.971 58.200 -0.142 0.000 1.097 437 S CB 0.572 63.718 63.200 -0.091 0.000 1.525 437 S HN 0.388 nan 8.310 nan 0.000 0.686 438 E N 0.099 120.279 120.200 -0.032 0.000 2.349 438 E HA 0.473 4.823 4.350 -0.000 0.000 0.262 438 E C 0.568 177.242 176.600 0.123 0.000 1.088 438 E CA 0.236 56.667 56.400 0.053 0.000 0.899 438 E CB 0.744 30.455 29.700 0.019 0.000 1.044 438 E HN 0.979 nan 8.360 nan 0.000 0.420 439 G N 1.486 110.385 108.800 0.164 0.000 2.132 439 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.234 439 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.234 439 G C 0.388 175.460 174.900 0.286 0.000 0.989 439 G CA 0.351 45.582 45.100 0.218 0.000 0.676 439 G HN 0.567 nan 8.290 nan 0.000 0.522 440 T N 0.244 114.975 114.554 0.296 0.000 2.908 440 T HA 0.550 4.900 4.350 -0.000 0.000 0.301 440 T C 1.083 175.776 174.700 -0.011 0.000 1.019 440 T CA 1.597 63.791 62.100 0.158 0.000 1.152 440 T CB 0.523 69.477 68.868 0.143 0.000 0.966 440 T HN 1.546 nan 8.240 nan 0.000 0.540 441 G N 2.936 111.658 108.800 -0.130 0.000 2.947 441 G HA2 0.337 4.297 3.960 -0.000 0.000 0.293 441 G HA3 0.337 4.297 3.960 -0.000 0.000 0.293 441 G C 0.226 175.015 174.900 -0.186 0.000 1.243 441 G CA -0.475 44.503 45.100 -0.205 0.000 0.802 441 G HN 0.790 nan 8.290 nan 0.000 0.560 442 H N -0.120 118.922 119.070 -0.047 0.000 2.387 442 H HA 0.032 4.588 4.556 -0.000 0.000 0.299 442 H C 2.729 178.014 175.328 -0.073 0.000 1.090 442 H CA 1.419 57.447 56.048 -0.034 0.000 1.332 442 H CB 0.204 29.970 29.762 0.007 0.000 1.386 442 H HN 0.411 nan 8.280 nan 0.000 0.516 443 A N 0.373 123.193 122.820 0.000 0.000 2.216 443 A HA -0.145 4.175 4.320 -0.000 0.000 0.214 443 A C 1.559 179.058 177.584 -0.141 0.000 1.160 443 A CA 1.385 53.386 52.037 -0.060 0.000 0.725 443 A CB 0.022 18.971 19.000 -0.085 0.000 0.784 443 A HN 0.437 nan 8.150 nan 0.000 0.472 444 Q N -2.092 117.590 119.800 -0.197 0.000 2.157 444 Q HA 0.379 4.719 4.340 -0.000 0.000 0.235 444 Q C 0.471 176.368 176.000 -0.172 0.000 0.803 444 Q CA 0.965 56.594 55.803 -0.289 0.000 0.967 444 Q CB 0.815 29.160 28.738 -0.656 0.000 1.150 444 Q HN 0.494 nan 8.270 nan 0.000 0.482 449 F N -0.777 119.160 119.950 -0.021 0.000 2.779 449 F HA 0.826 5.353 4.527 -0.000 0.000 0.316 449 F C -0.529 175.243 175.800 -0.046 0.000 1.164 449 F CA -0.844 57.129 58.000 -0.044 0.000 0.924 449 F CB 0.874 39.818 39.000 -0.094 0.000 1.348 449 F HN 0.094 nan 8.300 nan 0.000 0.467 450 T N -1.204 113.563 114.554 0.355 0.000 2.912 450 T HA 0.692 5.042 4.350 -0.000 0.000 0.288 450 T C -1.250 173.580 174.700 0.217 0.000 1.030 450 T CA -0.486 61.787 62.100 0.289 0.000 1.020 450 T CB 1.525 70.497 68.868 0.174 0.000 1.056 450 T HN 0.465 nan 8.240 nan 0.000 0.480 451 F N 2.474 122.625 119.950 0.335 0.000 2.404 451 F HA 0.452 4.979 4.527 -0.000 0.000 0.358 451 F C 0.590 176.413 175.800 0.039 0.000 1.120 451 F CA -0.900 57.162 58.000 0.103 0.000 1.144 451 F CB 0.546 39.551 39.000 0.009 0.000 1.133 451 F HN 0.492 nan 8.300 nan 0.000 0.495 452 N N 3.561 122.216 118.700 -0.075 0.000 2.473 452 N HA 0.436 5.176 4.740 -0.000 0.000 0.291 452 N C -0.275 175.039 175.510 -0.327 0.000 1.083 452 N CA -0.509 52.356 53.050 -0.307 0.000 0.951 452 N CB 1.275 39.327 38.487 -0.726 0.000 1.164 452 N HN 0.386 nan 8.380 nan 0.000 0.480 453 I N 1.732 122.170 120.570 -0.221 0.000 2.638 453 I HA 0.253 4.423 4.170 -0.000 0.000 0.286 453 I C 0.206 176.166 176.117 -0.260 0.000 1.088 453 I CA -0.044 61.006 61.300 -0.416 0.000 1.397 453 I CB 0.531 38.224 38.000 -0.512 0.000 1.414 453 I HN 0.233 nan 8.210 nan 0.000 0.566 454 I N 4.951 125.353 120.570 -0.280 0.000 2.647 454 I HA 0.341 4.511 4.170 -0.000 0.000 0.295 454 I C -0.659 175.434 176.117 -0.041 0.000 1.078 454 I CA -0.626 60.642 61.300 -0.054 0.000 1.048 454 I CB 2.128 40.205 38.000 0.127 0.000 1.239 454 I HN 0.546 nan 8.210 nan 0.000 0.421 455 Q N 5.867 125.608 119.800 -0.098 0.000 2.345 455 Q HA 0.534 4.874 4.340 -0.000 0.000 0.268 455 Q C -2.467 173.187 176.000 -0.576 0.000 1.054 455 Q CA -1.608 54.079 55.803 -0.193 0.000 0.835 455 Q CB 2.578 31.237 28.738 -0.132 0.000 1.339 455 Q HN 0.322 nan 8.270 nan 0.000 0.447 456 P HA 0.134 nan 4.420 nan 0.000 0.281 456 P C -1.174 175.915 177.300 -0.350 0.000 1.281 456 P CA -0.532 62.058 63.100 -0.850 0.000 0.811 456 P CB 0.663 31.946 31.700 -0.695 0.000 1.154 457 Y N 0.173 120.331 120.300 -0.236 0.000 2.712 457 Y HA -0.027 4.523 4.550 -0.000 0.000 0.333 457 Y C 2.110 177.963 175.900 -0.079 0.000 1.225 457 Y CA 0.721 58.754 58.100 -0.113 0.000 1.499 457 Y CB 0.195 38.613 38.460 -0.069 0.000 1.288 457 Y HN 0.284 nan 8.280 nan 0.000 0.575 458 Q N 1.767 121.629 119.800 0.102 0.000 2.378 458 Q HA 0.100 4.440 4.340 -0.000 0.000 0.216 458 Q C -0.581 175.460 176.000 0.068 0.000 0.892 458 Q CA 0.537 56.373 55.803 0.054 0.000 0.931 458 Q CB 0.261 29.011 28.738 0.020 0.000 1.086 458 Q HN 0.871 nan 8.270 nan 0.000 0.528 459 D N -2.682 117.771 120.400 0.088 0.000 2.643 459 D HA 0.549 5.189 4.640 -0.000 0.000 0.283 459 D C 0.382 176.700 176.300 0.031 0.000 1.242 459 D CA -0.213 53.823 54.000 0.060 0.000 0.863 459 D CB 0.481 41.308 40.800 0.044 0.000 1.382 459 D HN 0.064 nan 8.370 nan 0.000 0.444 460 G N 0.247 109.052 108.800 0.007 0.000 2.601 460 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.252 460 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.252 460 G C 0.535 175.384 174.900 -0.084 0.000 1.294 460 G CA 0.650 45.727 45.100 -0.038 0.000 0.912 460 G HN 0.819 nan 8.290 nan 0.000 0.574 461 D N 0.767 121.095 120.400 -0.121 0.000 2.104 461 D HA -0.050 4.590 4.640 -0.000 0.000 0.194 461 D C 0.457 176.647 176.300 -0.183 0.000 0.994 461 D CA 2.116 56.022 54.000 -0.157 0.000 0.830 461 D CB -0.454 40.261 40.800 -0.141 0.000 0.959 461 D HN 0.302 nan 8.370 nan 0.000 0.452 462 P HA -0.019 nan 4.420 nan 0.000 0.245 462 P C -0.105 177.103 177.300 -0.153 0.000 1.212 462 P CA 0.072 62.969 63.100 -0.339 0.000 0.774 462 P CB -0.302 30.873 31.700 -0.876 0.000 0.999 463 R N 1.286 121.756 120.500 -0.051 0.000 2.504 463 R HA 0.301 4.641 4.340 -0.000 0.000 0.291 463 R C 0.659 177.033 176.300 0.125 0.000 0.974 463 R CA 1.370 57.517 56.100 0.078 0.000 1.077 463 R CB -0.594 29.771 30.300 0.109 0.000 0.926 463 R HN 0.288 nan 8.270 nan 0.000 0.407 467 P HA 0.272 nan 4.420 nan 0.000 0.297 467 P C -0.560 176.830 177.300 0.149 0.000 1.303 467 P CA -0.349 62.876 63.100 0.208 0.000 0.753 467 P CB 0.603 32.352 31.700 0.083 0.000 1.281 468 T N 0.687 115.306 114.554 0.108 0.000 2.729 468 T HA 0.458 4.808 4.350 -0.000 0.000 0.296 468 T C 0.221 174.966 174.700 0.076 0.000 0.928 468 T CA 0.127 62.269 62.100 0.070 0.000 1.045 468 T CB -0.715 68.187 68.868 0.056 0.000 0.902 468 T HN 0.152 nan 8.240 nan 0.000 0.500 469 I N 4.108 124.723 120.570 0.074 0.000 2.466 469 I HA 0.458 4.628 4.170 -0.000 0.000 0.289 469 I C -0.912 175.193 176.117 -0.020 0.000 1.026 469 I CA -0.987 60.339 61.300 0.043 0.000 1.078 469 I CB 1.993 40.053 38.000 0.099 0.000 1.249 469 I HN 0.334 nan 8.210 nan 0.000 0.429 470 L N 8.347 129.560 121.223 -0.016 0.000 2.343 470 L HA 0.640 4.980 4.340 -0.000 0.000 0.278 470 L C -1.085 175.703 176.870 -0.137 0.000 0.996 470 L CA -0.093 54.708 54.840 -0.065 0.000 0.831 470 L CB 1.101 43.144 42.059 -0.027 0.000 1.232 470 L HN 0.408 nan 8.230 nan 0.000 0.413 471 I N 5.781 126.216 120.570 -0.224 0.000 2.406 471 I HA 0.507 4.677 4.170 -0.000 0.000 0.290 471 I C -0.388 175.640 176.117 -0.148 0.000 0.999 471 I CA -0.423 60.771 61.300 -0.177 0.000 1.124 471 I CB 1.529 39.387 38.000 -0.237 0.000 1.289 471 I HN 0.694 nan 8.210 nan 0.000 0.441 472 Q N 6.035 125.790 119.800 -0.074 0.000 2.626 472 Q HA 0.665 5.005 4.340 -0.000 0.000 0.300 472 Q C -2.996 172.999 176.000 -0.009 0.000 0.988 472 Q CA -2.012 53.768 55.803 -0.040 0.000 0.761 472 Q CB 1.641 30.365 28.738 -0.023 0.000 1.494 472 Q HN 0.204 nan 8.270 nan 0.000 0.439 473 P HA 0.193 nan 4.420 nan 0.000 0.274 473 P C -0.955 176.350 177.300 0.008 0.000 1.231 473 P CA -0.409 62.697 63.100 0.010 0.000 0.790 473 P CB 0.411 32.116 31.700 0.007 0.000 0.951 474 N N 2.145 120.854 118.700 0.015 0.000 2.520 474 N HA 0.109 4.849 4.740 -0.000 0.000 0.273 474 N C 0.346 175.861 175.510 0.009 0.000 1.155 474 N CA 0.007 53.065 53.050 0.012 0.000 0.967 474 N CB 0.093 38.590 38.487 0.017 0.000 1.092 474 N HN 0.358 nan 8.380 nan 0.000 0.457 475 N N 0.000 118.703 118.700 0.005 0.000 1.763 475 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 475 N CA 0.000 53.052 53.050 0.003 0.000 0.885 475 N CB 0.000 38.487 38.487 0.000 0.000 1.341 475 N HN 0.000 nan 8.380 nan 0.000 0.667