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 2avt_1_B DATA FIRST_RESID 2 DATA SEQUENCE IQFSINRTLF IHALNTTKRA ISTKNAIPIL SSIKIEVTST GVTLTGSNGQ DATA SEQUENCE ISIENTIPVX XXXXGLLITS PGAILLEASF FINIISSLPD ISINVKEIEQ DATA SEQUENCE HQVVLTSGKS EITLKGKDVD QYPRLQEVST ENPLILKTKL LKSIIAETAF DATA SEQUENCE AASLQESRPI LTGVHIVLSN HKDFKAVATD SHRMSQRLIT LDNTSADFMV DATA SEQUENCE VLPSKSLREF SAVFTDDIET VEVFFSPSQI LFRSEHISFY TRLLEGNYPD DATA SEQUENCE TDRLLMTEFE TEVVFNTQSL RHAMERAFLI SNATQNGTVK LEITQNHISA DATA SEQUENCE HVNSPEVGKV NEDLDIVSQS GSDLTISFNP TYLIESLKAI KSETVKIHFL DATA SEQUENCE SPVRPFTLTP GDEEESFIQL ITPVRT 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.149 176.117 0.054 0.000 1.063 2 I CA 0.000 61.343 61.300 0.071 0.000 1.566 2 I CB 0.000 38.065 38.000 0.109 0.000 1.214 3 Q N 5.782 125.641 119.800 0.099 0.000 2.371 3 Q HA 0.533 4.873 4.340 -0.000 0.000 0.244 3 Q C -1.940 174.141 176.000 0.135 0.000 0.882 3 Q CA -0.321 55.504 55.803 0.036 0.000 0.866 3 Q CB 2.813 31.560 28.738 0.014 0.000 1.399 3 Q HN 0.590 nan 8.270 nan 0.000 0.432 4 F N -0.542 119.381 119.950 -0.045 0.000 2.719 4 F HA 0.729 5.256 4.527 -0.000 0.000 0.309 4 F C -1.442 174.310 175.800 -0.079 0.000 1.138 4 F CA -0.864 57.096 58.000 -0.067 0.000 0.943 4 F CB 1.497 40.442 39.000 -0.091 0.000 1.304 4 F HN 0.156 nan 8.300 nan 0.000 0.445 5 S N 3.265 119.040 115.700 0.125 0.000 2.502 5 S HA 0.839 5.309 4.470 -0.000 0.000 0.304 5 S C -1.396 173.267 174.600 0.106 0.000 1.097 5 S CA -0.560 57.645 58.200 0.008 0.000 1.045 5 S CB 1.001 64.193 63.200 -0.012 0.000 1.019 5 S HN 0.952 nan 8.310 nan 0.000 0.481 6 I N 4.118 124.714 120.570 0.044 0.000 2.802 6 I HA 0.429 4.599 4.170 -0.000 0.000 0.298 6 I C -0.777 175.351 176.117 0.018 0.000 1.176 6 I CA -0.862 60.452 61.300 0.022 0.000 1.025 6 I CB 1.904 39.876 38.000 -0.047 0.000 1.243 6 I HN 0.697 nan 8.210 nan 0.000 0.424 7 N N 6.326 125.042 118.700 0.028 0.000 2.447 7 N HA 0.003 4.742 4.740 -0.000 0.000 0.263 7 N C 0.866 176.437 175.510 0.101 0.000 1.226 7 N CA 0.453 53.531 53.050 0.046 0.000 0.906 7 N CB 1.082 39.589 38.487 0.035 0.000 1.060 7 N HN 0.762 nan 8.380 nan 0.000 0.468 8 R N 2.948 123.507 120.500 0.098 0.000 2.097 8 R HA -0.158 4.182 4.340 -0.000 0.000 0.236 8 R C 1.197 177.578 176.300 0.135 0.000 1.135 8 R CA 2.224 58.406 56.100 0.137 0.000 0.934 8 R CB -0.642 29.697 30.300 0.065 0.000 0.846 8 R HN 0.657 nan 8.270 nan 0.000 0.431 9 T N 2.255 116.856 114.554 0.078 0.000 2.597 9 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 9 T C 1.789 176.552 174.700 0.105 0.000 1.053 9 T CA 1.742 63.879 62.100 0.062 0.000 1.165 9 T CB -0.448 68.436 68.868 0.027 0.000 0.863 9 T HN 0.273 nan 8.240 nan 0.000 0.427 10 L N 0.416 121.706 121.223 0.112 0.000 2.129 10 L HA -0.058 4.282 4.340 -0.000 0.000 0.212 10 L C 1.978 178.996 176.870 0.247 0.000 1.087 10 L CA 1.695 56.620 54.840 0.142 0.000 0.757 10 L CB -0.736 41.380 42.059 0.094 0.000 0.896 10 L HN 0.193 nan 8.230 nan 0.000 0.434 11 F N -0.407 119.577 119.950 0.056 0.000 2.234 11 F HA -0.074 4.453 4.527 -0.000 0.000 0.296 11 F C 2.207 178.035 175.800 0.048 0.000 1.089 11 F CA 0.918 58.956 58.000 0.064 0.000 1.343 11 F CB -0.232 38.816 39.000 0.081 0.000 1.040 11 F HN 0.028 nan 8.300 nan 0.000 0.498 12 I N -0.259 120.351 120.570 0.065 0.000 2.394 12 I HA -0.244 3.926 4.170 -0.000 0.000 0.251 12 I C 2.368 178.486 176.117 0.001 0.000 1.136 12 I CA 1.326 62.583 61.300 -0.071 0.000 1.425 12 I CB -1.527 36.448 38.000 -0.041 0.000 1.079 12 I HN 0.205 nan 8.210 nan 0.000 0.425 13 H N 1.632 120.695 119.070 -0.012 0.000 2.299 13 H HA -0.016 4.540 4.556 0.000 0.000 0.302 13 H C 2.212 177.533 175.328 -0.011 0.000 1.078 13 H CA 2.005 58.045 56.048 -0.013 0.000 1.323 13 H CB 0.046 29.808 29.762 0.001 0.000 1.381 13 H HN 0.205 nan 8.280 nan 0.000 0.498 14 A N 0.671 123.469 122.820 -0.036 0.000 1.908 14 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 14 A C 2.590 180.120 177.584 -0.089 0.000 1.181 14 A CA 1.674 53.667 52.037 -0.073 0.000 0.627 14 A CB -0.961 18.097 19.000 0.097 0.000 0.818 14 A HN 0.479 nan 8.150 nan 0.000 0.445 15 L N -0.411 120.756 121.223 -0.094 0.000 2.056 15 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 15 L C 2.352 179.160 176.870 -0.104 0.000 1.078 15 L CA 1.158 55.924 54.840 -0.124 0.000 0.749 15 L CB -0.647 41.249 42.059 -0.271 0.000 0.901 15 L HN 0.367 nan 8.230 nan 0.000 0.433 16 N N -0.475 118.153 118.700 -0.120 0.000 2.120 16 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 16 N C 1.840 177.288 175.510 -0.105 0.000 1.024 16 N CA 1.889 54.882 53.050 -0.095 0.000 0.852 16 N CB -0.511 37.932 38.487 -0.074 0.000 1.003 16 N HN 0.276 nan 8.380 nan 0.000 0.424 17 T N 0.520 114.963 114.554 -0.185 0.000 2.708 17 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 17 T C 1.905 176.561 174.700 -0.073 0.000 1.037 17 T CA 1.684 63.679 62.100 -0.174 0.000 1.146 17 T CB -0.583 68.115 68.868 -0.284 0.000 0.865 17 T HN 0.302 nan 8.240 nan 0.000 0.435 18 T N 1.492 116.013 114.554 -0.056 0.000 2.788 18 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 18 T C 1.879 176.592 174.700 0.023 0.000 1.044 18 T CA 1.044 63.145 62.100 0.001 0.000 1.139 18 T CB -0.176 68.694 68.868 0.004 0.000 0.867 18 T HN 0.382 nan 8.240 nan 0.000 0.454 19 K N 0.972 121.376 120.400 0.006 0.000 2.360 19 K HA -0.040 4.280 4.320 -0.000 0.000 0.201 19 K C 2.219 178.843 176.600 0.040 0.000 1.046 19 K CA 0.749 57.050 56.287 0.023 0.000 0.945 19 K CB -0.011 32.494 32.500 0.008 0.000 0.750 19 K HN 0.250 nan 8.250 nan 0.000 0.464 20 R N -0.500 120.026 120.500 0.044 0.000 2.241 20 R HA -0.062 4.278 4.340 -0.000 0.000 0.224 20 R C 1.676 178.036 176.300 0.100 0.000 1.101 20 R CA 0.962 57.105 56.100 0.071 0.000 0.995 20 R CB -0.009 30.339 30.300 0.080 0.000 0.870 20 R HN 0.136 nan 8.270 nan 0.000 0.463 21 A N 0.466 123.343 122.820 0.095 0.000 2.308 21 A HA 0.215 4.535 4.320 -0.000 0.000 0.217 21 A C 0.583 178.211 177.584 0.073 0.000 1.216 21 A CA -0.065 52.024 52.037 0.087 0.000 0.864 21 A CB 0.304 19.352 19.000 0.079 0.000 0.902 21 A HN 0.064 nan 8.150 nan 0.000 0.499 22 I N 1.076 121.688 120.570 0.070 0.000 2.355 22 I HA 0.200 4.369 4.170 -0.000 0.000 0.288 22 I C -0.217 175.936 176.117 0.060 0.000 0.999 22 I CA -0.384 60.957 61.300 0.068 0.000 1.163 22 I CB 1.815 39.857 38.000 0.071 0.000 1.316 22 I HN -0.039 nan 8.210 nan 0.000 0.454 23 S N 2.915 118.648 115.700 0.054 0.000 2.585 23 S HA 0.004 4.474 4.470 -0.000 0.000 0.273 23 S C 1.327 175.954 174.600 0.045 0.000 1.339 23 S CA -0.286 57.943 58.200 0.048 0.000 1.028 23 S CB 1.457 64.682 63.200 0.041 0.000 0.906 23 S HN 0.772 nan 8.310 nan 0.000 0.528 24 T N 0.842 115.420 114.554 0.041 0.000 2.904 24 T HA -0.007 4.343 4.350 -0.000 0.000 0.267 24 T C 0.495 175.215 174.700 0.034 0.000 1.059 24 T CA 1.116 63.239 62.100 0.039 0.000 1.137 24 T CB -0.145 68.744 68.868 0.036 0.000 0.879 24 T HN 0.468 nan 8.240 nan 0.000 0.467 25 K N 1.381 121.799 120.400 0.031 0.000 2.376 25 K HA 0.368 4.688 4.320 -0.000 0.000 0.257 25 K C -1.508 175.107 176.600 0.024 0.000 0.939 25 K CA -0.739 55.563 56.287 0.025 0.000 0.809 25 K CB 0.830 33.343 32.500 0.022 0.000 1.121 25 K HN 0.075 nan 8.250 nan 0.000 0.425 26 N N 3.106 121.818 118.700 0.020 0.000 2.491 26 N HA 0.159 4.899 4.740 -0.000 0.000 0.274 26 N C 0.114 175.629 175.510 0.008 0.000 1.023 26 N CA -0.192 52.868 53.050 0.016 0.000 0.902 26 N CB 1.986 40.487 38.487 0.022 0.000 1.267 26 N HN 0.694 nan 8.380 nan 0.000 0.503 27 A N 2.434 125.257 122.820 0.004 0.000 2.024 27 A HA -0.012 4.308 4.320 -0.000 0.000 0.220 27 A C 0.938 178.518 177.584 -0.007 0.000 1.164 27 A CA 0.936 52.972 52.037 -0.001 0.000 0.643 27 A CB -0.238 18.762 19.000 -0.001 0.000 0.806 27 A HN 0.663 nan 8.150 nan 0.000 0.451 28 I N 0.093 120.656 120.570 -0.011 0.000 2.361 28 I HA 0.166 4.336 4.170 -0.000 0.000 0.282 28 I C -1.826 174.284 176.117 -0.011 0.000 1.075 28 I CA -1.966 59.321 61.300 -0.021 0.000 1.205 28 I CB 1.295 39.269 38.000 -0.042 0.000 1.406 28 I HN 0.017 nan 8.210 nan 0.000 0.481 29 P HA -0.299 nan 4.420 nan 0.000 0.219 29 P C 1.792 179.106 177.300 0.023 0.000 1.159 29 P CA 1.525 64.629 63.100 0.007 0.000 0.944 29 P CB 0.237 31.937 31.700 -0.000 0.000 0.792 30 I N -1.509 119.074 120.570 0.022 0.000 2.502 30 I HA -0.199 3.971 4.170 -0.000 0.000 0.258 30 I C 1.739 177.937 176.117 0.136 0.000 1.172 30 I CA 1.379 62.719 61.300 0.068 0.000 1.430 30 I CB -0.705 37.327 38.000 0.053 0.000 1.086 30 I HN -0.080 nan 8.210 nan 0.000 0.440 31 L N -0.278 120.989 121.223 0.072 0.000 2.610 31 L HA -0.005 4.335 4.340 -0.000 0.000 0.232 31 L C 2.092 179.039 176.870 0.129 0.000 1.149 31 L CA 0.796 55.703 54.840 0.113 0.000 0.872 31 L CB -0.621 41.443 42.059 0.008 0.000 0.992 31 L HN 0.375 nan 8.230 nan 0.000 0.447 32 S N -2.822 112.937 115.700 0.098 0.000 2.558 32 S HA 0.017 4.487 4.470 -0.000 0.000 0.217 32 S C 0.963 175.615 174.600 0.087 0.000 0.975 32 S CA -0.273 57.975 58.200 0.079 0.000 0.912 32 S CB 0.157 63.390 63.200 0.055 0.000 0.776 32 S HN 0.259 nan 8.310 nan 0.000 0.526 33 S N 0.585 116.347 115.700 0.103 0.000 2.687 33 S HA 0.667 5.137 4.470 -0.000 0.000 0.283 33 S C -0.525 174.070 174.600 -0.010 0.000 1.170 33 S CA -0.945 57.285 58.200 0.048 0.000 1.008 33 S CB 0.904 64.120 63.200 0.027 0.000 1.026 33 S HN 0.487 nan 8.310 nan 0.000 0.541 34 I N 2.395 122.912 120.570 -0.088 0.000 2.441 34 I HA 0.492 4.662 4.170 -0.000 0.000 0.295 34 I C -0.432 175.519 176.117 -0.277 0.000 0.994 34 I CA -0.759 60.453 61.300 -0.147 0.000 1.144 34 I CB 1.273 39.237 38.000 -0.059 0.000 1.314 34 I HN 0.631 nan 8.210 nan 0.000 0.445 35 K N 7.997 128.163 120.400 -0.389 0.000 2.234 35 K HA 0.505 4.825 4.320 -0.000 0.000 0.282 35 K C -1.254 175.232 176.600 -0.189 0.000 1.039 35 K CA -0.445 55.612 56.287 -0.384 0.000 0.928 35 K CB 0.809 32.983 32.500 -0.544 0.000 1.039 35 K HN 0.585 nan 8.250 nan 0.000 0.470 36 I N 4.329 124.815 120.570 -0.140 0.000 2.382 36 I HA 0.232 4.402 4.170 -0.000 0.000 0.285 36 I C -0.513 175.577 176.117 -0.044 0.000 1.007 36 I CA -0.534 60.731 61.300 -0.058 0.000 1.142 36 I CB 1.658 39.644 38.000 -0.024 0.000 1.289 36 I HN 0.548 nan 8.210 nan 0.000 0.453 37 E N 5.351 125.523 120.200 -0.048 0.000 2.238 37 E HA 0.645 4.995 4.350 -0.000 0.000 0.267 37 E C -1.357 175.201 176.600 -0.070 0.000 0.887 37 E CA -0.827 55.547 56.400 -0.043 0.000 0.769 37 E CB 3.668 33.345 29.700 -0.038 0.000 1.187 37 E HN 0.287 nan 8.360 nan 0.000 0.416 38 V N 2.404 122.282 119.914 -0.058 0.000 2.623 38 V HA 0.554 4.674 4.120 -0.000 0.000 0.304 38 V C -0.667 175.393 176.094 -0.055 0.000 1.054 38 V CA -0.129 62.113 62.300 -0.097 0.000 0.882 38 V CB 1.803 33.553 31.823 -0.122 0.000 1.002 38 V HN 0.924 nan 8.190 nan 0.000 0.424 39 T N 2.256 116.772 114.554 -0.064 0.000 2.762 39 T HA 0.408 4.758 4.350 -0.000 0.000 0.272 39 T C 1.012 175.685 174.700 -0.045 0.000 0.982 39 T CA 0.125 62.202 62.100 -0.039 0.000 1.013 39 T CB 1.413 70.263 68.868 -0.029 0.000 1.309 39 T HN 0.517 nan 8.240 nan 0.000 0.572 40 S N 0.642 116.324 115.700 -0.030 0.000 2.442 40 S HA -0.063 4.407 4.470 -0.000 0.000 0.236 40 S C 2.061 176.638 174.600 -0.039 0.000 1.007 40 S CA 1.553 59.736 58.200 -0.028 0.000 0.965 40 S CB -0.757 62.433 63.200 -0.016 0.000 0.773 40 S HN 0.969 nan 8.310 nan 0.000 0.504 41 T N -1.823 112.705 114.554 -0.044 0.000 3.037 41 T HA 0.521 4.871 4.350 -0.000 0.000 0.251 41 T C 0.803 175.455 174.700 -0.079 0.000 1.079 41 T CA 0.502 62.573 62.100 -0.048 0.000 1.067 41 T CB 0.514 69.365 68.868 -0.028 0.000 0.948 41 T HN 0.441 nan 8.240 nan 0.000 0.496 42 G N 0.127 108.862 108.800 -0.108 0.000 2.321 42 G HA2 0.445 4.405 3.960 -0.000 0.000 0.296 42 G HA3 0.445 4.405 3.960 -0.000 0.000 0.296 42 G C -2.055 172.717 174.900 -0.213 0.000 1.287 42 G CA -0.464 44.539 45.100 -0.162 0.000 0.846 42 G HN 0.284 nan 8.290 nan 0.000 0.508 43 V N 0.504 120.257 119.914 -0.268 0.000 2.398 43 V HA 0.687 4.807 4.120 -0.000 0.000 0.286 43 V C -0.029 175.978 176.094 -0.144 0.000 1.026 43 V CA -0.465 61.654 62.300 -0.303 0.000 0.868 43 V CB 1.439 32.949 31.823 -0.522 0.000 0.982 43 V HN 0.774 nan 8.190 nan 0.000 0.443 44 T N 6.585 121.083 114.554 -0.094 0.000 2.786 44 T HA 0.636 4.986 4.350 -0.000 0.000 0.283 44 T C -0.351 174.340 174.700 -0.014 0.000 0.992 44 T CA -0.291 61.789 62.100 -0.034 0.000 0.954 44 T CB 0.783 69.639 68.868 -0.020 0.000 0.934 44 T HN 0.365 nan 8.240 nan 0.000 0.440 45 L N 2.941 124.173 121.223 0.015 0.000 2.322 45 L HA 0.712 5.052 4.340 -0.000 0.000 0.279 45 L C 0.180 177.051 176.870 0.002 0.000 1.036 45 L CA -0.762 54.089 54.840 0.017 0.000 0.807 45 L CB 1.607 43.701 42.059 0.059 0.000 1.226 45 L HN 0.558 nan 8.230 nan 0.000 0.433 46 T N 1.060 115.590 114.554 -0.040 0.000 2.991 46 T HA 0.620 4.970 4.350 -0.000 0.000 0.303 46 T C -0.175 174.507 174.700 -0.030 0.000 1.015 46 T CA -0.648 61.440 62.100 -0.020 0.000 1.007 46 T CB 1.940 70.793 68.868 -0.024 0.000 1.034 46 T HN 0.821 nan 8.240 nan 0.000 0.446 47 G N 0.656 109.494 108.800 0.062 0.000 2.574 47 G HA2 0.779 4.739 3.960 -0.000 0.000 0.299 47 G HA3 0.779 4.739 3.960 -0.000 0.000 0.299 47 G C -1.268 173.724 174.900 0.154 0.000 1.298 47 G CA -0.758 44.406 45.100 0.108 0.000 0.952 47 G HN 0.787 nan 8.290 nan 0.000 0.477 48 S N -0.772 115.030 115.700 0.170 0.000 2.578 48 S HA 0.445 4.915 4.470 -0.000 0.000 0.272 48 S C -0.682 173.951 174.600 0.055 0.000 1.145 48 S CA -0.350 57.904 58.200 0.089 0.000 0.835 48 S CB 1.513 64.745 63.200 0.052 0.000 1.104 48 S HN 1.075 nan 8.310 nan 0.000 0.458 49 N N 1.218 119.929 118.700 0.019 0.000 2.184 49 N HA 0.255 4.995 4.740 -0.000 0.000 0.234 49 N C 1.039 176.544 175.510 -0.009 0.000 1.282 49 N CA 0.680 53.738 53.050 0.014 0.000 0.877 49 N CB 0.596 39.101 38.487 0.031 0.000 1.184 49 N HN 1.517 nan 8.380 nan 0.000 0.510 50 G N 0.500 109.281 108.800 -0.032 0.000 2.217 50 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.246 50 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.246 50 G C 0.831 175.718 174.900 -0.021 0.000 0.990 50 G CA 0.566 45.642 45.100 -0.040 0.000 0.627 50 G HN 0.365 nan 8.290 nan 0.000 0.522 51 Q N -0.382 119.415 119.800 -0.006 0.000 2.471 51 Q HA 0.410 4.750 4.340 -0.000 0.000 0.241 51 Q C 1.535 177.532 176.000 -0.005 0.000 0.886 51 Q CA 1.397 57.206 55.803 0.009 0.000 0.953 51 Q CB 0.778 29.534 28.738 0.030 0.000 1.108 51 Q HN 0.989 nan 8.270 nan 0.000 0.575 52 I N -2.669 117.884 120.570 -0.028 0.000 2.969 52 I HA 0.711 4.881 4.170 -0.000 0.000 0.307 52 I C -0.904 175.159 176.117 -0.091 0.000 1.149 52 I CA -0.900 60.333 61.300 -0.111 0.000 1.008 52 I CB 2.615 40.515 38.000 -0.168 0.000 1.232 52 I HN -0.308 nan 8.210 nan 0.000 0.435 53 S N 4.458 120.088 115.700 -0.116 0.000 2.575 53 S HA 0.681 5.151 4.470 -0.000 0.000 0.278 53 S C -0.717 173.911 174.600 0.047 0.000 1.139 53 S CA -0.497 57.693 58.200 -0.017 0.000 0.954 53 S CB 1.790 64.963 63.200 -0.045 0.000 1.054 53 S HN 0.506 nan 8.310 nan 0.000 0.483 54 I N 2.223 122.849 120.570 0.094 0.000 2.433 54 I HA 0.429 4.599 4.170 -0.000 0.000 0.292 54 I C -0.180 176.024 176.117 0.144 0.000 1.001 54 I CA -0.402 60.995 61.300 0.161 0.000 1.119 54 I CB 1.917 40.013 38.000 0.160 0.000 1.289 54 I HN 0.569 nan 8.210 nan 0.000 0.438 55 E N 5.576 125.885 120.200 0.181 0.000 2.186 55 E HA 0.279 4.629 4.350 -0.000 0.000 0.255 55 E C -1.222 175.444 176.600 0.111 0.000 0.881 55 E CA -0.596 55.887 56.400 0.138 0.000 0.752 55 E CB 1.036 30.849 29.700 0.188 0.000 1.176 55 E HN 0.459 nan 8.360 nan 0.000 0.421 56 N N 2.628 121.367 118.700 0.065 0.000 2.417 56 N HA 0.288 5.028 4.740 -0.000 0.000 0.274 56 N C -1.566 173.969 175.510 0.042 0.000 0.987 56 N CA -0.261 52.814 53.050 0.043 0.000 0.912 56 N CB 1.795 40.283 38.487 0.002 0.000 1.177 56 N HN 0.228 nan 8.380 nan 0.000 0.490 57 T N 4.219 118.810 114.554 0.061 0.000 2.749 57 T HA 0.459 4.809 4.350 -0.000 0.000 0.287 57 T C 0.395 175.062 174.700 -0.055 0.000 0.970 57 T CA -0.354 61.760 62.100 0.022 0.000 0.980 57 T CB 0.222 69.131 68.868 0.067 0.000 0.924 57 T HN 0.338 nan 8.240 nan 0.000 0.456 58 I N 7.242 127.755 120.570 -0.095 0.000 2.307 58 I HA 0.276 4.445 4.170 -0.000 0.000 0.289 58 I C -1.927 174.072 176.117 -0.198 0.000 1.021 58 I CA -2.409 58.806 61.300 -0.142 0.000 1.224 58 I CB 1.391 39.329 38.000 -0.102 0.000 1.376 58 I HN 0.304 nan 8.210 nan 0.000 0.470 59 P HA 0.116 nan 4.420 nan 0.000 0.280 59 P C 0.051 177.260 177.300 -0.153 0.000 1.244 59 P CA -0.172 62.793 63.100 -0.226 0.000 0.784 59 P CB 1.414 32.916 31.700 -0.330 0.000 0.913 67 L N 0.926 122.136 121.223 -0.022 0.000 2.588 67 L HA 0.856 5.196 4.340 -0.000 0.000 0.263 67 L C -2.279 174.579 176.870 -0.019 0.000 0.935 67 L CA -0.834 53.989 54.840 -0.028 0.000 0.891 67 L CB 2.064 44.071 42.059 -0.087 0.000 1.318 67 L HN 0.127 nan 8.230 nan 0.000 0.409 68 L N 5.895 127.128 121.223 0.016 0.000 2.409 68 L HA 0.700 5.040 4.340 -0.000 0.000 0.272 68 L C -1.375 175.527 176.870 0.055 0.000 0.980 68 L CA -0.229 54.621 54.840 0.017 0.000 0.826 68 L CB 1.795 43.864 42.059 0.015 0.000 1.268 68 L HN 0.584 nan 8.230 nan 0.000 0.407 69 I N 4.367 124.954 120.570 0.029 0.000 2.392 69 I HA 0.395 4.565 4.170 -0.000 0.000 0.295 69 I C 0.600 176.746 176.117 0.048 0.000 0.985 69 I CA -0.290 61.045 61.300 0.058 0.000 1.221 69 I CB 1.831 39.826 38.000 -0.008 0.000 1.366 69 I HN 0.672 nan 8.210 nan 0.000 0.467 70 T N 2.119 116.714 114.554 0.068 0.000 3.045 70 T HA 0.067 4.417 4.350 -0.000 0.000 0.239 70 T C 0.398 175.117 174.700 0.031 0.000 1.008 70 T CA 0.326 62.449 62.100 0.038 0.000 1.143 70 T CB 0.246 69.132 68.868 0.030 0.000 0.894 70 T HN 0.729 nan 8.240 nan 0.000 0.451 71 S N 1.877 117.604 115.700 0.046 0.000 2.548 71 S HA 0.579 5.049 4.470 -0.000 0.000 0.276 71 S C -3.289 171.336 174.600 0.041 0.000 1.129 71 S CA -1.566 56.653 58.200 0.032 0.000 0.931 71 S CB 2.417 65.630 63.200 0.022 0.000 1.068 71 S HN -0.006 nan 8.310 nan 0.000 0.480 72 P HA 0.555 nan 4.420 nan 0.000 0.271 72 P C 0.384 177.698 177.300 0.023 0.000 1.233 72 P CA 0.224 63.333 63.100 0.015 0.000 0.789 72 P CB 0.514 32.216 31.700 0.003 0.000 0.951 73 G N -1.252 107.561 108.800 0.021 0.000 2.313 73 G HA2 0.539 4.499 3.960 -0.000 0.000 0.296 73 G HA3 0.539 4.499 3.960 -0.000 0.000 0.296 73 G C -2.235 172.680 174.900 0.025 0.000 1.356 73 G CA -0.004 45.112 45.100 0.027 0.000 0.833 73 G HN 0.599 nan 8.290 nan 0.000 0.552 74 A N -0.460 122.380 122.820 0.032 0.000 2.520 74 A HA 0.918 5.238 4.320 -0.000 0.000 0.298 74 A C -1.065 176.543 177.584 0.040 0.000 1.051 74 A CA -0.250 51.799 52.037 0.021 0.000 0.690 74 A CB 1.555 20.561 19.000 0.010 0.000 1.281 74 A HN 2.109 nan 8.150 nan 0.000 0.402 75 I N 1.301 121.874 120.570 0.004 0.000 2.984 75 I HA 0.540 4.710 4.170 -0.000 0.000 0.303 75 I C -1.986 174.080 176.117 -0.085 0.000 1.381 75 I CA -1.061 60.240 61.300 0.002 0.000 0.988 75 I CB 1.750 39.772 38.000 0.037 0.000 1.307 75 I HN 0.647 nan 8.210 nan 0.000 0.460 76 L N 6.496 127.662 121.223 -0.095 0.000 2.322 76 L HA 0.637 4.977 4.340 -0.000 0.000 0.281 76 L C -1.157 175.645 176.870 -0.114 0.000 1.014 76 L CA -0.704 54.051 54.840 -0.142 0.000 0.815 76 L CB 1.719 43.705 42.059 -0.123 0.000 1.247 76 L HN 0.433 nan 8.230 nan 0.000 0.421 77 L N 2.058 123.195 121.223 -0.145 0.000 2.409 77 L HA 0.402 4.742 4.340 -0.000 0.000 0.262 77 L C -0.278 176.593 176.870 0.001 0.000 0.992 77 L CA -0.996 53.788 54.840 -0.092 0.000 0.817 77 L CB 2.481 44.377 42.059 -0.272 0.000 1.350 77 L HN 0.473 nan 8.230 nan 0.000 0.411 78 E N 1.672 121.937 120.200 0.108 0.000 2.498 78 E HA -0.004 4.346 4.350 -0.000 0.000 0.252 78 E C 0.650 177.374 176.600 0.207 0.000 1.025 78 E CA 0.324 56.814 56.400 0.150 0.000 0.938 78 E CB 1.176 30.982 29.700 0.176 0.000 0.947 78 E HN 0.713 nan 8.360 nan 0.000 0.478 79 A N 4.215 127.118 122.820 0.139 0.000 1.862 79 A HA -0.281 4.039 4.320 -0.000 0.000 0.214 79 A C 2.275 179.962 177.584 0.172 0.000 1.228 79 A CA 2.140 54.263 52.037 0.143 0.000 0.665 79 A CB -0.804 18.250 19.000 0.091 0.000 0.845 79 A HN 0.612 nan 8.150 nan 0.000 0.459 80 S N -1.015 114.767 115.700 0.136 0.000 2.378 80 S HA -0.248 4.222 4.470 -0.000 0.000 0.229 80 S C 1.690 176.381 174.600 0.152 0.000 1.052 80 S CA 1.923 60.192 58.200 0.116 0.000 1.084 80 S CB -0.712 62.553 63.200 0.107 0.000 0.950 80 S HN 0.578 nan 8.310 nan 0.000 0.440 81 F N 1.566 121.551 119.950 0.058 0.000 2.065 81 F HA -0.179 4.348 4.527 0.000 0.000 0.298 81 F C 1.965 177.815 175.800 0.083 0.000 1.112 81 F CA 1.534 59.570 58.000 0.061 0.000 1.212 81 F CB -0.794 38.249 39.000 0.072 0.000 0.975 81 F HN 0.239 nan 8.300 nan 0.000 0.476 82 F N 0.707 120.600 119.950 -0.096 0.000 2.134 82 F HA -0.152 4.375 4.527 0.000 0.000 0.299 82 F C 2.124 177.800 175.800 -0.208 0.000 1.097 82 F CA 1.715 59.593 58.000 -0.204 0.000 1.264 82 F CB -0.648 38.317 39.000 -0.058 0.000 1.001 82 F HN 0.012 nan 8.300 nan 0.000 0.479 83 I N 0.305 120.767 120.570 -0.180 0.000 2.226 83 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 83 I C 2.104 178.040 176.117 -0.301 0.000 1.100 83 I CA 1.147 62.267 61.300 -0.299 0.000 1.374 83 I CB -0.720 37.207 38.000 -0.120 0.000 1.057 83 I HN 0.185 nan 8.210 nan 0.000 0.413 84 N N 1.209 119.783 118.700 -0.210 0.000 2.043 84 N HA -0.166 4.574 4.740 -0.000 0.000 0.193 84 N C 1.915 177.268 175.510 -0.261 0.000 1.037 84 N CA 1.382 54.323 53.050 -0.181 0.000 0.851 84 N CB -0.298 38.125 38.487 -0.107 0.000 1.027 84 N HN 0.201 nan 8.380 nan 0.000 0.422 85 I N 1.939 122.278 120.570 -0.384 0.000 2.118 85 I HA -0.245 3.925 4.170 -0.000 0.000 0.241 85 I C 2.267 178.173 176.117 -0.351 0.000 1.070 85 I CA 1.008 62.074 61.300 -0.390 0.000 1.327 85 I CB -1.053 36.647 38.000 -0.500 0.000 1.034 85 I HN 0.074 nan 8.210 nan 0.000 0.405 86 I N 0.626 120.893 120.570 -0.504 0.000 2.208 86 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 86 I C 2.639 178.610 176.117 -0.244 0.000 1.097 86 I CA 1.365 62.415 61.300 -0.416 0.000 1.363 86 I CB -1.277 36.337 38.000 -0.642 0.000 1.051 86 I HN 0.194 nan 8.210 nan 0.000 0.413 87 S N 0.897 116.455 115.700 -0.236 0.000 2.399 87 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 87 S C 1.896 176.431 174.600 -0.108 0.000 1.022 87 S CA 1.536 59.648 58.200 -0.146 0.000 0.983 87 S CB -0.273 62.850 63.200 -0.130 0.000 0.803 87 S HN 0.655 nan 8.310 nan 0.000 0.480 88 S N 0.650 116.277 115.700 -0.122 0.000 2.593 88 S HA 0.252 4.722 4.470 -0.000 0.000 0.217 88 S C 0.380 174.933 174.600 -0.077 0.000 0.966 88 S CA -0.304 57.843 58.200 -0.089 0.000 0.914 88 S CB -0.475 62.671 63.200 -0.089 0.000 0.776 88 S HN 0.306 nan 8.310 nan 0.000 0.523 89 L N 1.945 123.117 121.223 -0.085 0.000 2.410 89 L HA 0.245 4.585 4.340 -0.000 0.000 0.273 89 L C -1.232 175.614 176.870 -0.041 0.000 1.152 89 L CA -1.851 52.952 54.840 -0.063 0.000 0.855 89 L CB 0.458 42.479 42.059 -0.063 0.000 1.129 89 L HN 0.070 nan 8.230 nan 0.000 0.463 90 P HA -0.190 nan 4.420 nan 0.000 0.203 90 P C 0.040 177.329 177.300 -0.018 0.000 1.087 90 P CA 1.126 64.212 63.100 -0.024 0.000 0.952 90 P CB 0.143 31.830 31.700 -0.022 0.000 0.758 91 D N -1.647 118.744 120.400 -0.016 0.000 2.377 91 D HA 0.026 4.666 4.640 -0.000 0.000 0.245 91 D C 1.468 177.765 176.300 -0.006 0.000 1.196 91 D CA -0.256 53.738 54.000 -0.011 0.000 0.962 91 D CB 0.281 41.074 40.800 -0.011 0.000 1.127 91 D HN 0.046 nan 8.370 nan 0.000 0.471 92 I N -1.350 119.219 120.570 -0.002 0.000 2.361 92 I HA -0.086 4.084 4.170 -0.000 0.000 0.251 92 I C 0.702 176.826 176.117 0.012 0.000 1.133 92 I CA 0.608 61.911 61.300 0.005 0.000 1.413 92 I CB -0.197 37.806 38.000 0.004 0.000 1.073 92 I HN -0.069 nan 8.210 nan 0.000 0.424 93 S N 1.118 116.820 115.700 0.004 0.000 2.616 93 S HA 0.717 5.187 4.470 -0.000 0.000 0.277 93 S C -0.199 174.398 174.600 -0.004 0.000 1.234 93 S CA -0.436 57.765 58.200 0.002 0.000 1.028 93 S CB 1.893 65.089 63.200 -0.006 0.000 0.988 93 S HN 0.206 nan 8.310 nan 0.000 0.522 94 I N 2.338 122.902 120.570 -0.011 0.000 2.619 94 I HA 0.362 4.532 4.170 -0.000 0.000 0.292 94 I C -0.563 175.498 176.117 -0.093 0.000 1.100 94 I CA -0.622 60.660 61.300 -0.030 0.000 1.043 94 I CB 1.991 40.001 38.000 0.016 0.000 1.239 94 I HN 0.467 nan 8.210 nan 0.000 0.420 95 N N 5.384 124.016 118.700 -0.113 0.000 2.424 95 N HA 0.413 5.153 4.740 -0.000 0.000 0.271 95 N C -1.502 173.858 175.510 -0.250 0.000 0.985 95 N CA -0.263 52.681 53.050 -0.177 0.000 0.921 95 N CB 2.036 40.456 38.487 -0.111 0.000 1.149 95 N HN 0.288 nan 8.380 nan 0.000 0.492 96 V N 4.046 123.664 119.914 -0.493 0.000 2.370 96 V HA 0.376 4.496 4.120 -0.000 0.000 0.283 96 V C 0.134 176.007 176.094 -0.367 0.000 1.023 96 V CA -0.577 61.405 62.300 -0.530 0.000 0.857 96 V CB 1.133 32.277 31.823 -1.131 0.000 0.985 96 V HN 0.575 nan 8.190 nan 0.000 0.443 97 K N 4.160 124.454 120.400 -0.177 0.000 2.601 97 K HA 0.401 4.720 4.320 -0.000 0.000 0.249 97 K C -0.592 175.978 176.600 -0.051 0.000 0.966 97 K CA -0.523 55.705 56.287 -0.098 0.000 0.827 97 K CB 2.023 34.477 32.500 -0.076 0.000 1.178 97 K HN 0.819 nan 8.250 nan 0.000 0.437 98 E N 5.697 125.878 120.200 -0.031 0.000 2.331 98 E HA 0.280 4.630 4.350 -0.000 0.000 0.272 98 E C -0.303 176.280 176.600 -0.029 0.000 1.036 98 E CA -0.563 55.825 56.400 -0.019 0.000 0.864 98 E CB 0.746 30.440 29.700 -0.010 0.000 1.035 98 E HN 0.609 nan 8.360 nan 0.000 0.408 99 I N -0.250 120.302 120.570 -0.029 0.000 3.294 99 I HA 0.420 4.590 4.170 -0.000 0.000 0.311 99 I C -0.185 175.898 176.117 -0.056 0.000 1.111 99 I CA -1.252 60.027 61.300 -0.035 0.000 0.976 99 I CB 1.393 39.382 38.000 -0.019 0.000 1.260 99 I HN 0.589 nan 8.210 nan 0.000 0.474 100 E N 1.353 121.522 120.200 -0.052 0.000 2.508 100 E HA -0.059 4.291 4.350 -0.000 0.000 0.266 100 E C -0.738 175.831 176.600 -0.052 0.000 1.010 100 E CA 0.089 56.450 56.400 -0.066 0.000 0.955 100 E CB 0.205 29.883 29.700 -0.037 0.000 0.946 100 E HN 0.712 nan 8.360 nan 0.000 0.454 101 Q N 1.117 120.873 119.800 -0.073 0.000 2.493 101 Q HA -0.232 4.108 4.340 -0.000 0.000 0.278 101 Q C -0.896 175.170 176.000 0.110 0.000 1.216 101 Q CA 0.829 56.650 55.803 0.030 0.000 0.875 101 Q CB -2.511 26.256 28.738 0.049 0.000 1.262 101 Q HN 0.876 nan 8.270 nan 0.000 0.468 102 H N -1.516 117.557 119.070 0.004 0.000 2.592 102 H HA -0.190 4.366 4.556 -0.000 0.000 0.323 102 H C -0.253 175.079 175.328 0.006 0.000 1.117 102 H CA 1.510 57.559 56.048 0.002 0.000 1.120 102 H CB -1.022 28.739 29.762 -0.001 0.000 1.561 102 H HN 0.472 nan 8.280 nan 0.000 0.409 103 Q N 0.176 120.013 119.800 0.062 0.000 2.337 103 Q HA 0.628 4.967 4.340 -0.000 0.000 0.266 103 Q C -0.437 175.585 176.000 0.036 0.000 1.023 103 Q CA -1.070 54.767 55.803 0.056 0.000 0.829 103 Q CB 3.071 31.835 28.738 0.043 0.000 1.306 103 Q HN 0.152 nan 8.270 nan 0.000 0.449 104 V N 2.375 122.317 119.914 0.047 0.000 2.435 104 V HA 0.362 4.482 4.120 -0.000 0.000 0.290 104 V C -0.352 175.766 176.094 0.039 0.000 1.030 104 V CA -0.781 61.540 62.300 0.035 0.000 0.881 104 V CB 1.763 33.612 31.823 0.044 0.000 0.983 104 V HN 0.512 nan 8.190 nan 0.000 0.445 105 V N 6.507 126.426 119.914 0.008 0.000 2.311 105 V HA 0.401 4.521 4.120 -0.000 0.000 0.275 105 V C -0.110 175.975 176.094 -0.016 0.000 1.022 105 V CA -0.324 61.977 62.300 0.002 0.000 0.830 105 V CB 1.105 32.921 31.823 -0.011 0.000 1.012 105 V HN 0.626 nan 8.190 nan 0.000 0.452 106 L N 4.559 125.785 121.223 0.004 0.000 2.292 106 L HA 0.619 4.959 4.340 -0.000 0.000 0.284 106 L C 0.252 177.105 176.870 -0.028 0.000 1.065 106 L CA 0.100 54.933 54.840 -0.012 0.000 0.806 106 L CB 1.542 43.615 42.059 0.023 0.000 1.175 106 L HN 0.534 nan 8.230 nan 0.000 0.431 107 T N 1.428 115.956 114.554 -0.045 0.000 2.949 107 T HA 0.492 4.842 4.350 -0.000 0.000 0.300 107 T C -0.678 173.999 174.700 -0.038 0.000 0.988 107 T CA -0.719 61.359 62.100 -0.038 0.000 0.993 107 T CB 1.479 70.324 68.868 -0.038 0.000 0.984 107 T HN 0.662 nan 8.240 nan 0.000 0.442 108 S N 1.743 117.425 115.700 -0.030 0.000 2.575 108 S HA 0.852 5.322 4.470 -0.000 0.000 0.278 108 S C 0.624 175.210 174.600 -0.022 0.000 1.139 108 S CA -0.125 58.059 58.200 -0.026 0.000 0.954 108 S CB 1.658 64.844 63.200 -0.024 0.000 1.054 108 S HN 1.388 nan 8.310 nan 0.000 0.483 109 G N 3.481 112.270 108.800 -0.019 0.000 2.583 109 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.292 109 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.292 109 G C 0.150 175.041 174.900 -0.016 0.000 1.203 109 G CA 0.538 45.628 45.100 -0.016 0.000 0.987 109 G HN 0.913 nan 8.290 nan 0.000 0.554 110 K N 0.232 120.624 120.400 -0.014 0.000 2.397 110 K HA 0.484 4.804 4.320 -0.000 0.000 0.202 110 K C 0.655 177.247 176.600 -0.013 0.000 1.022 110 K CA 0.599 56.878 56.287 -0.012 0.000 1.141 110 K CB 0.931 33.425 32.500 -0.010 0.000 0.857 110 K HN 0.357 nan 8.250 nan 0.000 0.514 111 S N 1.627 117.317 115.700 -0.016 0.000 2.489 111 S HA 0.207 4.677 4.470 -0.000 0.000 0.291 111 S C -1.162 173.427 174.600 -0.018 0.000 1.151 111 S CA -0.603 57.587 58.200 -0.017 0.000 1.082 111 S CB 1.029 64.216 63.200 -0.022 0.000 1.019 111 S HN 0.257 nan 8.310 nan 0.000 0.492 112 E N 4.533 124.726 120.200 -0.013 0.000 2.241 112 E HA 0.536 4.886 4.350 -0.000 0.000 0.263 112 E C -1.460 175.137 176.600 -0.004 0.000 0.882 112 E CA -0.510 55.883 56.400 -0.011 0.000 0.769 112 E CB 1.006 30.701 29.700 -0.008 0.000 1.185 112 E HN 0.654 nan 8.360 nan 0.000 0.415 113 I N 3.039 123.607 120.570 -0.003 0.000 2.533 113 I HA 0.290 4.460 4.170 -0.000 0.000 0.290 113 I C -0.620 175.515 176.117 0.030 0.000 1.056 113 I CA -0.655 60.651 61.300 0.010 0.000 1.057 113 I CB 2.505 40.499 38.000 -0.010 0.000 1.240 113 I HN 0.429 nan 8.210 nan 0.000 0.423 114 T N 6.780 121.364 114.554 0.048 0.000 2.797 114 T HA 0.664 5.014 4.350 -0.000 0.000 0.279 114 T C -0.552 174.211 174.700 0.104 0.000 0.991 114 T CA -0.440 61.697 62.100 0.063 0.000 0.979 114 T CB 1.179 70.076 68.868 0.048 0.000 0.943 114 T HN 0.107 nan 8.240 nan 0.000 0.444 115 L N 2.735 124.034 121.223 0.126 0.000 2.346 115 L HA 0.572 4.912 4.340 -0.000 0.000 0.274 115 L C 0.132 177.085 176.870 0.137 0.000 1.007 115 L CA -0.713 54.239 54.840 0.187 0.000 0.818 115 L CB 1.509 43.719 42.059 0.251 0.000 1.284 115 L HN 0.440 nan 8.230 nan 0.000 0.424 116 K N 0.808 121.288 120.400 0.134 0.000 2.248 116 K HA 0.682 5.002 4.320 -0.000 0.000 0.281 116 K C -0.033 176.616 176.600 0.082 0.000 1.054 116 K CA -0.254 56.088 56.287 0.092 0.000 0.903 116 K CB 0.929 33.468 32.500 0.066 0.000 1.077 116 K HN 0.821 nan 8.250 nan 0.000 0.474 117 G N 3.209 112.053 108.800 0.074 0.000 2.938 117 G HA2 0.490 4.450 3.960 -0.000 0.000 0.258 117 G HA3 0.490 4.450 3.960 -0.000 0.000 0.258 117 G C -1.118 173.785 174.900 0.004 0.000 1.356 117 G CA -0.628 44.494 45.100 0.037 0.000 1.052 117 G HN 0.558 nan 8.290 nan 0.000 0.550 118 K N -0.934 119.426 120.400 -0.067 0.000 2.433 118 K HA 0.384 4.704 4.320 -0.000 0.000 0.252 118 K C -1.509 174.908 176.600 -0.305 0.000 1.015 118 K CA -0.748 55.423 56.287 -0.193 0.000 0.860 118 K CB 2.284 34.717 32.500 -0.113 0.000 1.359 118 K HN 0.484 nan 8.250 nan 0.000 0.452 119 D N 0.363 120.467 120.400 -0.493 0.000 2.341 119 D HA 0.027 4.667 4.640 -0.000 0.000 0.245 119 D C 1.196 177.429 176.300 -0.111 0.000 1.106 119 D CA -0.324 53.467 54.000 -0.348 0.000 0.905 119 D CB 1.398 41.993 40.800 -0.341 0.000 1.202 119 D HN 0.326 nan 8.370 nan 0.000 0.426 120 V N 0.637 120.529 119.914 -0.037 0.000 2.469 120 V HA -0.206 3.914 4.120 -0.000 0.000 0.251 120 V C 1.378 177.497 176.094 0.041 0.000 1.064 120 V CA 1.761 64.061 62.300 -0.000 0.000 1.066 120 V CB -0.724 31.100 31.823 0.002 0.000 0.667 120 V HN 0.485 nan 8.190 nan 0.000 0.461 121 D N 1.479 121.889 120.400 0.017 0.000 2.220 121 D HA -0.252 4.388 4.640 -0.000 0.000 0.198 121 D C 2.197 178.511 176.300 0.024 0.000 1.001 121 D CA 2.190 56.202 54.000 0.019 0.000 0.875 121 D CB -0.338 40.465 40.800 0.005 0.000 0.921 121 D HN 0.886 nan 8.370 nan 0.000 0.454 122 Q N -1.186 118.630 119.800 0.026 0.000 2.365 122 Q HA -0.006 4.334 4.340 -0.000 0.000 0.203 122 Q C -0.274 175.768 176.000 0.069 0.000 0.929 122 Q CA -0.075 55.744 55.803 0.026 0.000 0.948 122 Q CB -0.046 28.696 28.738 0.006 0.000 1.043 122 Q HN 0.328 nan 8.270 nan 0.000 0.505 123 Y N 2.476 122.751 120.300 -0.042 0.000 2.335 123 Y HA 0.355 4.905 4.550 -0.000 0.000 0.339 123 Y C -2.290 173.583 175.900 -0.044 0.000 0.987 123 Y CA -2.970 55.105 58.100 -0.041 0.000 1.140 123 Y CB 1.098 39.534 38.460 -0.040 0.000 1.173 123 Y HN 0.007 nan 8.280 nan 0.000 0.486 124 P HA 0.006 nan 4.420 nan 0.000 0.263 124 P C -0.894 176.302 177.300 -0.174 0.000 1.175 124 P CA 0.509 63.435 63.100 -0.290 0.000 0.761 124 P CB 0.450 31.919 31.700 -0.385 0.000 0.794 125 R N 2.273 122.717 120.500 -0.093 0.000 2.459 125 R HA 0.390 4.730 4.340 -0.000 0.000 0.281 125 R C 0.252 176.488 176.300 -0.108 0.000 1.050 125 R CA -0.964 55.102 56.100 -0.056 0.000 1.055 125 R CB 0.553 30.831 30.300 -0.037 0.000 1.045 125 R HN 0.448 nan 8.270 nan 0.000 0.495 126 L N 2.428 123.573 121.223 -0.130 0.000 2.467 126 L HA 0.022 4.362 4.340 -0.000 0.000 0.270 126 L C 0.874 177.632 176.870 -0.187 0.000 1.205 126 L CA -0.050 54.645 54.840 -0.243 0.000 0.828 126 L CB 0.336 42.166 42.059 -0.382 0.000 1.101 126 L HN 0.344 nan 8.230 nan 0.000 0.479 127 Q N 1.210 120.888 119.800 -0.204 0.000 2.312 127 Q HA 0.161 4.501 4.340 -0.000 0.000 0.236 127 Q C -0.767 175.203 176.000 -0.049 0.000 0.965 127 Q CA -0.314 55.433 55.803 -0.094 0.000 0.894 127 Q CB 1.115 29.822 28.738 -0.052 0.000 1.225 127 Q HN 0.386 nan 8.270 nan 0.000 0.478 128 E N 0.720 120.913 120.200 -0.013 0.000 1.998 128 E HA 0.219 4.569 4.350 -0.000 0.000 0.257 128 E C -0.782 175.829 176.600 0.019 0.000 1.038 128 E CA -0.178 56.225 56.400 0.004 0.000 0.869 128 E CB 0.763 30.456 29.700 -0.011 0.000 1.135 128 E HN 0.175 nan 8.360 nan 0.000 0.430 129 V N 2.838 122.784 119.914 0.053 0.000 2.655 129 V HA -0.024 4.096 4.120 -0.000 0.000 0.300 129 V C 0.461 176.533 176.094 -0.036 0.000 1.044 129 V CA -0.443 61.876 62.300 0.031 0.000 1.095 129 V CB 0.836 32.685 31.823 0.043 0.000 0.952 129 V HN 0.821 nan 8.190 nan 0.000 0.485 130 S N 2.881 118.596 115.700 0.026 0.000 3.116 130 S HA -0.104 4.366 4.470 -0.000 0.000 0.367 130 S C 0.954 175.556 174.600 0.003 0.000 1.202 130 S CA 0.244 58.472 58.200 0.047 0.000 1.018 130 S CB -0.098 63.176 63.200 0.123 0.000 0.726 130 S HN 0.856 nan 8.310 nan 0.000 0.506 131 T N 1.917 116.453 114.554 -0.031 0.000 3.215 131 T HA 0.027 4.377 4.350 -0.000 0.000 0.254 131 T C 0.852 175.615 174.700 0.105 0.000 1.149 131 T CA 0.487 62.542 62.100 -0.075 0.000 1.042 131 T CB -0.569 68.265 68.868 -0.056 0.000 0.966 131 T HN 0.912 nan 8.240 nan 0.000 0.534 132 E N 1.551 121.877 120.200 0.209 0.000 2.342 132 E HA 0.120 4.470 4.350 -0.000 0.000 0.257 132 E C -0.531 176.243 176.600 0.290 0.000 1.150 132 E CA -0.940 55.592 56.400 0.219 0.000 0.926 132 E CB 0.394 30.190 29.700 0.160 0.000 1.074 132 E HN 0.027 nan 8.360 nan 0.000 0.449 133 N N 3.389 122.187 118.700 0.163 0.000 2.348 133 N HA 0.006 4.746 4.740 -0.000 0.000 0.286 133 N C -1.803 173.723 175.510 0.027 0.000 1.371 133 N CA -0.133 52.975 53.050 0.097 0.000 0.966 133 N CB -0.547 37.976 38.487 0.060 0.000 1.356 133 N HN 0.487 nan 8.380 nan 0.000 0.490 134 P HA 0.036 nan 4.420 nan 0.000 0.275 134 P C -0.018 177.151 177.300 -0.217 0.000 1.270 134 P CA -0.610 62.203 63.100 -0.478 0.000 0.791 134 P CB 0.831 31.708 31.700 -1.371 0.000 1.089 135 L N 0.545 121.651 121.223 -0.196 0.000 2.292 135 L HA 0.309 4.649 4.340 -0.000 0.000 0.284 135 L C -0.311 176.489 176.870 -0.117 0.000 1.065 135 L CA -0.443 54.380 54.840 -0.029 0.000 0.806 135 L CB -0.185 41.949 42.059 0.126 0.000 1.175 135 L HN 0.124 nan 8.230 nan 0.000 0.431 136 I N 6.921 127.453 120.570 -0.063 0.000 2.315 136 I HA 0.348 4.518 4.170 -0.000 0.000 0.291 136 I C -0.274 175.807 176.117 -0.059 0.000 1.006 136 I CA -0.260 60.997 61.300 -0.072 0.000 1.265 136 I CB 0.888 38.858 38.000 -0.049 0.000 1.387 136 I HN 0.557 nan 8.210 nan 0.000 0.475 137 L N 5.329 126.509 121.223 -0.072 0.000 2.381 137 L HA 0.464 4.804 4.340 -0.000 0.000 0.268 137 L C 0.099 176.923 176.870 -0.076 0.000 0.997 137 L CA -0.953 53.833 54.840 -0.089 0.000 0.818 137 L CB 2.637 44.629 42.059 -0.112 0.000 1.310 137 L HN 0.463 nan 8.230 nan 0.000 0.416 138 K N 0.483 120.833 120.400 -0.083 0.000 2.368 138 K HA 0.132 4.452 4.320 -0.000 0.000 0.282 138 K C 0.793 177.359 176.600 -0.055 0.000 1.035 138 K CA -0.076 56.175 56.287 -0.060 0.000 0.973 138 K CB 1.245 33.707 32.500 -0.063 0.000 0.957 138 K HN 0.596 nan 8.250 nan 0.000 0.474 139 T N 3.866 118.406 114.554 -0.024 0.000 2.720 139 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 139 T C 1.420 176.122 174.700 0.003 0.000 1.037 139 T CA 1.913 64.018 62.100 0.008 0.000 1.144 139 T CB -0.090 68.786 68.868 0.014 0.000 0.864 139 T HN 0.703 nan 8.240 nan 0.000 0.444 140 K N 0.934 121.322 120.400 -0.019 0.000 2.211 140 K HA 0.033 4.353 4.320 -0.000 0.000 0.203 140 K C 2.243 178.811 176.600 -0.052 0.000 1.050 140 K CA 0.851 57.122 56.287 -0.026 0.000 0.945 140 K CB -0.392 32.091 32.500 -0.027 0.000 0.732 140 K HN 0.219 nan 8.250 nan 0.000 0.451 141 L N 1.186 122.362 121.223 -0.078 0.000 2.072 141 L HA -0.009 4.331 4.340 -0.000 0.000 0.205 141 L C 2.113 178.895 176.870 -0.147 0.000 1.079 141 L CA 1.167 55.935 54.840 -0.121 0.000 0.752 141 L CB -0.560 41.408 42.059 -0.151 0.000 0.906 141 L HN 0.256 nan 8.230 nan 0.000 0.436 142 L N -0.221 120.915 121.223 -0.145 0.000 2.046 142 L HA -0.176 4.163 4.340 -0.000 0.000 0.208 142 L C 2.408 179.198 176.870 -0.132 0.000 1.077 142 L CA 1.808 56.532 54.840 -0.194 0.000 0.747 142 L CB -0.739 41.162 42.059 -0.264 0.000 0.896 142 L HN 0.267 nan 8.230 nan 0.000 0.432 143 K N -1.380 119.007 120.400 -0.023 0.000 2.211 143 K HA -0.103 4.217 4.320 -0.000 0.000 0.203 143 K C 2.311 178.892 176.600 -0.032 0.000 1.050 143 K CA 1.192 57.491 56.287 0.020 0.000 0.945 143 K CB -0.203 32.327 32.500 0.050 0.000 0.732 143 K HN 0.365 nan 8.250 nan 0.000 0.451 144 S N 1.236 116.896 115.700 -0.067 0.000 2.355 144 S HA -0.079 4.391 4.470 -0.000 0.000 0.222 144 S C 1.952 176.471 174.600 -0.134 0.000 1.031 144 S CA 0.789 58.930 58.200 -0.098 0.000 0.993 144 S CB -0.148 62.983 63.200 -0.115 0.000 0.859 144 S HN 0.184 nan 8.310 nan 0.000 0.453 145 I N 1.380 121.868 120.570 -0.136 0.000 2.208 145 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 145 I C 2.189 178.256 176.117 -0.083 0.000 1.097 145 I CA 1.349 62.575 61.300 -0.123 0.000 1.363 145 I CB -0.370 37.582 38.000 -0.080 0.000 1.051 145 I HN 0.353 nan 8.210 nan 0.000 0.413 146 I N 0.694 121.222 120.570 -0.070 0.000 2.179 146 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 146 I C 2.752 178.886 176.117 0.029 0.000 1.088 146 I CA 1.363 62.643 61.300 -0.033 0.000 1.357 146 I CB -0.538 37.435 38.000 -0.045 0.000 1.051 146 I HN 0.178 nan 8.210 nan 0.000 0.409 147 A N 0.413 123.251 122.820 0.029 0.000 2.015 147 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 147 A C 2.079 179.779 177.584 0.193 0.000 1.163 147 A CA 1.455 53.547 52.037 0.092 0.000 0.646 147 A CB -0.473 18.549 19.000 0.037 0.000 0.806 147 A HN 0.502 nan 8.150 nan 0.000 0.448 148 E N -1.089 119.155 120.200 0.073 0.000 2.442 148 E HA -0.033 4.317 4.350 -0.000 0.000 0.195 148 E C 1.745 178.444 176.600 0.166 0.000 1.030 148 E CA 1.124 57.598 56.400 0.124 0.000 0.869 148 E CB 0.123 29.511 29.700 -0.520 0.000 0.857 148 E HN 0.833 nan 8.360 nan 0.000 0.505 149 T N -2.775 111.771 114.554 -0.013 0.000 3.075 149 T HA 0.284 4.634 4.350 -0.000 0.000 0.251 149 T C 2.176 176.707 174.700 -0.282 0.000 0.979 149 T CA 0.349 62.330 62.100 -0.199 0.000 1.033 149 T CB -0.127 68.686 68.868 -0.092 0.000 1.104 149 T HN 0.051 nan 8.240 nan 0.000 0.473 150 A N 2.256 125.028 122.820 -0.080 0.000 1.940 150 A HA -0.057 4.263 4.320 -0.000 0.000 0.221 150 A C 2.016 179.593 177.584 -0.012 0.000 1.190 150 A CA 2.249 54.277 52.037 -0.016 0.000 0.647 150 A CB -1.409 17.629 19.000 0.063 0.000 0.821 150 A HN 0.844 nan 8.150 nan 0.000 0.457 151 F N -0.520 119.469 119.950 0.064 0.000 2.293 151 F HA 0.219 4.746 4.527 0.000 0.000 0.300 151 F C 2.099 177.947 175.800 0.080 0.000 1.086 151 F CA 0.670 58.712 58.000 0.070 0.000 1.375 151 F CB -0.846 38.194 39.000 0.066 0.000 1.045 151 F HN 0.160 nan 8.300 nan 0.000 0.516 152 A N 1.077 123.369 122.820 -0.880 0.000 2.119 152 A HA 0.451 4.771 4.320 -0.000 0.000 0.216 152 A C 1.668 179.161 177.584 -0.152 0.000 1.152 152 A CA 0.399 52.139 52.037 -0.495 0.000 0.708 152 A CB -1.303 17.311 19.000 -0.643 0.000 0.805 152 A HN 0.520 nan 8.150 nan 0.000 0.460 153 A N 0.223 122.984 122.820 -0.098 0.000 2.462 153 A HA 0.452 4.772 4.320 -0.000 0.000 0.243 153 A C 0.820 178.431 177.584 0.045 0.000 1.076 153 A CA 0.434 52.475 52.037 0.007 0.000 0.773 153 A CB -0.111 18.910 19.000 0.034 0.000 1.010 153 A HN 0.548 nan 8.150 nan 0.000 0.493 154 S N 0.641 116.371 115.700 0.051 0.000 2.573 154 S HA 0.221 4.691 4.470 -0.000 0.000 0.277 154 S C 0.855 175.501 174.600 0.077 0.000 1.346 154 S CA -0.243 57.997 58.200 0.066 0.000 1.034 154 S CB -0.031 63.194 63.200 0.040 0.000 0.879 154 S HN 0.548 nan 8.310 nan 0.000 0.528 155 L N 2.426 123.703 121.223 0.091 0.000 2.616 155 L HA 0.201 4.541 4.340 -0.000 0.000 0.229 155 L C 0.722 177.635 176.870 0.072 0.000 1.110 155 L CA -0.108 54.783 54.840 0.085 0.000 0.884 155 L CB -0.071 42.046 42.059 0.096 0.000 1.115 155 L HN 0.708 nan 8.230 nan 0.000 0.481 156 Q N 0.265 120.106 119.800 0.068 0.000 2.303 156 Q HA 0.160 4.500 4.340 -0.000 0.000 0.257 156 Q C -0.150 175.875 176.000 0.042 0.000 0.941 156 Q CA -0.326 55.510 55.803 0.056 0.000 0.931 156 Q CB 1.134 29.908 28.738 0.060 0.000 1.215 156 Q HN 0.255 nan 8.270 nan 0.000 0.437 157 E N 1.690 121.913 120.200 0.038 0.000 2.515 157 E HA -0.159 4.191 4.350 -0.000 0.000 0.201 157 E C 1.494 178.106 176.600 0.020 0.000 1.071 157 E CA 0.610 57.028 56.400 0.030 0.000 0.880 157 E CB 0.137 29.855 29.700 0.031 0.000 0.828 157 E HN 0.767 nan 8.360 nan 0.000 0.540 158 S N 1.125 116.837 115.700 0.020 0.000 2.381 158 S HA -0.202 4.268 4.470 -0.000 0.000 0.230 158 S C 1.013 175.612 174.600 -0.002 0.000 1.052 158 S CA 1.318 59.524 58.200 0.011 0.000 1.068 158 S CB 0.073 63.282 63.200 0.014 0.000 0.918 158 S HN 0.198 nan 8.310 nan 0.000 0.448 159 R N 0.558 121.053 120.500 -0.009 0.000 2.494 159 R HA 0.278 4.618 4.340 -0.000 0.000 0.284 159 R C -2.362 173.927 176.300 -0.018 0.000 1.525 159 R CA -1.776 54.307 56.100 -0.028 0.000 1.460 159 R CB 1.328 31.593 30.300 -0.058 0.000 1.134 159 R HN 0.259 nan 8.270 nan 0.000 0.592 160 P HA -0.267 nan 4.420 nan 0.000 0.219 160 P C 1.271 178.588 177.300 0.029 0.000 1.161 160 P CA 1.104 64.214 63.100 0.018 0.000 0.909 160 P CB 0.213 31.924 31.700 0.018 0.000 0.793 161 I N -1.063 119.514 120.570 0.011 0.000 2.185 161 I HA -0.237 3.933 4.170 -0.000 0.000 0.246 161 I C 1.863 178.031 176.117 0.084 0.000 1.088 161 I CA 1.632 62.956 61.300 0.040 0.000 1.347 161 I CB -0.733 37.247 38.000 -0.033 0.000 1.041 161 I HN -0.125 nan 8.210 nan 0.000 0.415 162 L N -0.177 121.037 121.223 -0.014 0.000 2.551 162 L HA -0.063 4.277 4.340 -0.000 0.000 0.228 162 L C 1.846 178.770 176.870 0.091 0.000 1.153 162 L CA 1.162 56.010 54.840 0.012 0.000 0.851 162 L CB -1.220 40.785 42.059 -0.090 0.000 0.959 162 L HN 0.426 nan 8.230 nan 0.000 0.451 163 T N -3.387 111.218 114.554 0.085 0.000 3.169 163 T HA 0.233 4.583 4.350 -0.000 0.000 0.250 163 T C 0.776 175.535 174.700 0.098 0.000 1.111 163 T CA 0.142 62.292 62.100 0.083 0.000 1.010 163 T CB 0.106 69.016 68.868 0.069 0.000 0.984 163 T HN 0.256 nan 8.240 nan 0.000 0.537 164 G N 0.173 109.051 108.800 0.130 0.000 2.788 164 G HA2 0.599 4.559 3.960 -0.000 0.000 0.293 164 G HA3 0.599 4.559 3.960 -0.000 0.000 0.293 164 G C -1.464 173.488 174.900 0.087 0.000 1.305 164 G CA -0.763 44.403 45.100 0.109 0.000 1.005 164 G HN 0.217 nan 8.290 nan 0.000 0.496 165 V N 0.732 120.665 119.914 0.032 0.000 2.394 165 V HA 0.265 4.385 4.120 -0.000 0.000 0.282 165 V C -0.388 175.646 176.094 -0.100 0.000 1.031 165 V CA -0.708 61.569 62.300 -0.039 0.000 0.881 165 V CB 1.080 32.888 31.823 -0.025 0.000 0.982 165 V HN 0.773 nan 8.190 nan 0.000 0.451 166 H N 5.748 124.539 119.070 -0.466 0.000 2.800 166 H HA 0.507 5.063 4.556 -0.000 0.000 0.291 166 H C -0.596 174.526 175.328 -0.343 0.000 1.076 166 H CA -0.445 55.246 56.048 -0.596 0.000 1.452 166 H CB 0.333 29.302 29.762 -1.323 0.000 1.461 166 H HN 0.537 nan 8.280 nan 0.000 0.488 167 I N 6.261 126.616 120.570 -0.359 0.000 2.406 167 I HA 0.304 4.474 4.170 -0.000 0.000 0.290 167 I C -0.807 175.045 176.117 -0.442 0.000 0.999 167 I CA -0.973 60.088 61.300 -0.399 0.000 1.124 167 I CB 1.781 39.722 38.000 -0.099 0.000 1.289 167 I HN 0.285 nan 8.210 nan 0.000 0.441 168 V N 6.601 126.096 119.914 -0.698 0.000 2.760 168 V HA 0.432 4.552 4.120 -0.000 0.000 0.309 168 V C -0.826 174.741 176.094 -0.877 0.000 1.077 168 V CA -0.685 61.193 62.300 -0.702 0.000 0.910 168 V CB 2.672 34.125 31.823 -0.618 0.000 1.008 168 V HN 0.435 nan 8.190 nan 0.000 0.424 169 L N 3.988 124.533 121.223 -1.131 0.000 2.305 169 L HA 0.797 5.137 4.340 -0.000 0.000 0.284 169 L C -0.090 176.409 176.870 -0.618 0.000 1.013 169 L CA 0.592 54.874 54.840 -0.929 0.000 0.819 169 L CB 1.794 43.064 42.059 -1.314 0.000 1.227 169 L HN 0.701 nan 8.230 nan 0.000 0.417 170 S N 3.555 119.012 115.700 -0.404 0.000 2.568 170 S HA 0.500 4.970 4.470 -0.000 0.000 0.302 170 S C -0.104 174.343 174.600 -0.254 0.000 1.082 170 S CA -0.694 57.315 58.200 -0.318 0.000 1.009 170 S CB 1.501 64.562 63.200 -0.231 0.000 1.069 170 S HN 0.735 nan 8.310 nan 0.000 0.500 171 N N 2.213 120.758 118.700 -0.258 0.000 2.696 171 N HA -0.214 4.526 4.740 -0.000 0.000 0.249 171 N C -0.187 175.278 175.510 -0.074 0.000 1.090 171 N CA 1.127 54.085 53.050 -0.154 0.000 0.716 171 N CB -1.498 36.946 38.487 -0.072 0.000 1.020 171 N HN 0.869 nan 8.380 nan 0.000 0.548 172 H N -2.690 116.314 119.070 -0.111 0.000 3.141 172 H HA -0.199 4.357 4.556 -0.000 0.000 0.260 172 H C 1.270 176.560 175.328 -0.063 0.000 1.132 172 H CA 1.877 57.870 56.048 -0.091 0.000 1.171 172 H CB -0.915 28.813 29.762 -0.057 0.000 1.274 172 H HN 0.645 nan 8.280 nan 0.000 0.329 173 K N -0.246 120.153 120.400 -0.001 0.000 2.600 173 K HA 0.026 4.346 4.320 -0.000 0.000 0.210 173 K C -0.694 175.910 176.600 0.007 0.000 1.650 173 K CA -0.006 56.292 56.287 0.018 0.000 1.024 173 K CB 1.082 33.599 32.500 0.028 0.000 1.370 173 K HN -0.027 nan 8.250 nan 0.000 0.619 174 D N 1.412 121.786 120.400 -0.044 0.000 2.456 174 D HA 0.068 4.707 4.640 -0.000 0.000 0.219 174 D C -1.103 175.164 176.300 -0.056 0.000 1.126 174 D CA -0.113 53.866 54.000 -0.036 0.000 0.890 174 D CB 0.422 41.181 40.800 -0.069 0.000 1.025 174 D HN 0.035 nan 8.370 nan 0.000 0.511 175 F N 2.643 122.522 119.950 -0.117 0.000 2.410 175 F HA 0.238 4.765 4.527 0.000 0.000 0.348 175 F C 0.253 175.989 175.800 -0.107 0.000 1.106 175 F CA -0.353 57.576 58.000 -0.118 0.000 1.163 175 F CB 0.844 39.815 39.000 -0.049 0.000 1.129 175 F HN 0.005 nan 8.300 nan 0.000 0.516 176 K N 5.009 125.063 120.400 -0.576 0.000 2.443 176 K HA 0.789 5.109 4.320 -0.000 0.000 0.252 176 K C -1.968 174.323 176.600 -0.516 0.000 0.933 176 K CA -0.846 55.230 56.287 -0.352 0.000 0.792 176 K CB 1.622 33.948 32.500 -0.291 0.000 1.185 176 K HN 0.709 nan 8.250 nan 0.000 0.425 177 A N 3.472 126.185 122.820 -0.179 0.000 2.335 177 A HA 0.673 4.993 4.320 -0.000 0.000 0.304 177 A C -1.395 176.134 177.584 -0.091 0.000 1.118 177 A CA -0.618 51.339 52.037 -0.133 0.000 0.757 177 A CB 1.372 20.431 19.000 0.100 0.000 1.188 177 A HN 0.389 nan 8.150 nan 0.000 0.460 178 V N 0.789 120.620 119.914 -0.139 0.000 2.925 178 V HA 0.905 5.025 4.120 -0.000 0.000 0.311 178 V C 0.045 176.091 176.094 -0.079 0.000 1.104 178 V CA -0.152 62.104 62.300 -0.073 0.000 0.954 178 V CB 1.933 33.739 31.823 -0.027 0.000 1.022 178 V HN 1.546 nan 8.190 nan 0.000 0.427 179 A N 1.871 124.678 122.820 -0.022 0.000 2.515 179 A HA 0.967 5.287 4.320 -0.000 0.000 0.298 179 A C -0.677 176.923 177.584 0.027 0.000 1.059 179 A CA -0.466 51.581 52.037 0.016 0.000 0.698 179 A CB 2.388 21.333 19.000 -0.090 0.000 1.289 179 A HN 0.915 nan 8.150 nan 0.000 0.404 180 T N -0.470 114.132 114.554 0.079 0.000 2.802 180 T HA 0.539 4.889 4.350 -0.000 0.000 0.311 180 T C -1.783 172.897 174.700 -0.033 0.000 1.405 180 T CA 0.300 62.394 62.100 -0.009 0.000 1.016 180 T CB 1.587 70.451 68.868 -0.007 0.000 1.352 180 T HN 0.990 nan 8.240 nan 0.000 0.498 181 D N 0.378 120.730 120.400 -0.080 0.000 2.636 181 D HA 0.307 4.947 4.640 -0.000 0.000 0.270 181 D C 0.595 176.783 176.300 -0.186 0.000 1.430 181 D CA 0.109 54.070 54.000 -0.066 0.000 0.796 181 D CB -0.227 40.592 40.800 0.032 0.000 1.117 181 D HN 0.465 nan 8.370 nan 0.000 0.480 182 S N -0.565 114.985 115.700 -0.250 0.000 2.929 182 S HA -0.233 4.236 4.470 -0.000 0.000 0.271 182 S C 0.831 175.108 174.600 -0.539 0.000 1.295 182 S CA 1.349 59.319 58.200 -0.383 0.000 1.277 182 S CB -1.264 61.670 63.200 -0.442 0.000 1.557 182 S HN 0.650 nan 8.310 nan 0.000 0.666 183 H N -0.034 118.916 119.070 -0.200 0.000 2.657 183 H HA 0.264 4.820 4.556 -0.000 0.000 0.262 183 H C 0.950 176.004 175.328 -0.458 0.000 0.965 183 H CA 1.174 57.030 56.048 -0.320 0.000 1.184 183 H CB 0.503 30.004 29.762 -0.436 0.000 1.443 183 H HN 0.610 nan 8.280 nan 0.000 0.462 184 R N 0.248 120.546 120.500 -0.337 0.000 2.774 184 R HA 0.628 4.968 4.340 -0.000 0.000 0.272 184 R C -0.999 175.186 176.300 -0.190 0.000 1.000 184 R CA -0.730 55.185 56.100 -0.307 0.000 0.906 184 R CB 2.017 32.107 30.300 -0.350 0.000 1.227 184 R HN 0.035 nan 8.270 nan 0.000 0.468 185 M N 0.621 120.124 119.600 -0.162 0.000 2.531 185 M HA 0.601 5.081 4.480 -0.000 0.000 0.286 185 M C -1.473 174.768 176.300 -0.099 0.000 1.232 185 M CA -0.444 54.786 55.300 -0.116 0.000 0.877 185 M CB 2.728 35.272 32.600 -0.093 0.000 1.726 185 M HN 0.744 nan 8.290 nan 0.000 0.463 186 S N 2.531 118.185 115.700 -0.076 0.000 2.614 186 S HA 0.510 4.980 4.470 -0.000 0.000 0.288 186 S C -1.797 172.837 174.600 0.057 0.000 1.137 186 S CA -0.488 57.715 58.200 0.005 0.000 0.992 186 S CB 1.737 64.918 63.200 -0.033 0.000 1.026 186 S HN 0.809 nan 8.310 nan 0.000 0.486 187 Q N 3.071 122.952 119.800 0.133 0.000 2.285 187 Q HA 0.578 4.917 4.340 -0.000 0.000 0.269 187 Q C -1.361 174.768 176.000 0.215 0.000 1.030 187 Q CA -0.845 55.027 55.803 0.115 0.000 0.788 187 Q CB 1.408 30.177 28.738 0.052 0.000 1.266 187 Q HN 0.588 nan 8.270 nan 0.000 0.438 188 R N 4.192 124.775 120.500 0.139 0.000 2.393 188 R HA 0.552 4.892 4.340 -0.000 0.000 0.315 188 R C -1.816 174.554 176.300 0.116 0.000 0.952 188 R CA -0.236 55.938 56.100 0.123 0.000 0.842 188 R CB 0.914 31.219 30.300 0.007 0.000 1.163 188 R HN 0.637 nan 8.270 nan 0.000 0.450 189 L N 5.786 127.072 121.223 0.105 0.000 2.329 189 L HA 0.632 4.972 4.340 -0.000 0.000 0.279 189 L C -0.335 176.592 176.870 0.094 0.000 1.014 189 L CA -0.849 54.050 54.840 0.099 0.000 0.814 189 L CB 1.653 43.746 42.059 0.056 0.000 1.257 189 L HN 0.574 nan 8.230 nan 0.000 0.424 190 I N 1.118 121.766 120.570 0.129 0.000 2.722 190 I HA 0.262 4.432 4.170 -0.000 0.000 0.295 190 I C -0.634 175.525 176.117 0.070 0.000 1.161 190 I CA -0.355 60.981 61.300 0.062 0.000 1.032 190 I CB 2.975 40.959 38.000 -0.027 0.000 1.244 190 I HN 0.474 nan 8.210 nan 0.000 0.421 191 T N 6.292 120.861 114.554 0.026 0.000 2.753 191 T HA 0.483 4.833 4.350 -0.000 0.000 0.297 191 T C 0.107 174.811 174.700 0.006 0.000 0.981 191 T CA -0.472 61.642 62.100 0.023 0.000 0.956 191 T CB 0.241 69.116 68.868 0.012 0.000 0.936 191 T HN 0.234 nan 8.240 nan 0.000 0.463 192 L N 2.721 123.955 121.223 0.018 0.000 2.499 192 L HA 0.111 4.451 4.340 -0.000 0.000 0.281 192 L C 1.323 178.192 176.870 -0.002 0.000 1.234 192 L CA -0.281 54.559 54.840 0.001 0.000 0.839 192 L CB 0.387 42.465 42.059 0.032 0.000 1.104 192 L HN 0.622 nan 8.230 nan 0.000 0.500 193 D N 0.169 120.562 120.400 -0.012 0.000 2.323 193 D HA 0.020 4.660 4.640 -0.000 0.000 0.209 193 D C 0.029 176.327 176.300 -0.002 0.000 0.973 193 D CA 0.975 54.970 54.000 -0.009 0.000 0.874 193 D CB 0.211 41.001 40.800 -0.016 0.000 0.930 193 D HN 0.449 nan 8.370 nan 0.000 0.521 194 N N 0.415 119.117 118.700 0.003 0.000 2.260 194 N HA 0.096 4.836 4.740 -0.000 0.000 0.293 194 N C -0.258 175.265 175.510 0.022 0.000 1.058 194 N CA -0.216 52.839 53.050 0.008 0.000 0.824 194 N CB 2.323 40.812 38.487 0.003 0.000 1.551 194 N HN -0.081 nan 8.380 nan 0.000 0.475 195 T N -1.102 113.464 114.554 0.020 0.000 2.855 195 T HA 0.392 4.742 4.350 -0.000 0.000 0.314 195 T C 0.471 175.198 174.700 0.045 0.000 1.077 195 T CA -0.094 62.028 62.100 0.036 0.000 1.095 195 T CB 0.988 69.858 68.868 0.003 0.000 0.987 195 T HN 0.377 nan 8.240 nan 0.000 0.546 196 S N -0.575 115.182 115.700 0.094 0.000 2.636 196 S HA 0.595 5.065 4.470 -0.000 0.000 0.266 196 S C -0.868 173.877 174.600 0.241 0.000 1.147 196 S CA -0.441 57.830 58.200 0.117 0.000 0.815 196 S CB 0.652 63.934 63.200 0.136 0.000 1.119 196 S HN 1.376 nan 8.310 nan 0.000 0.470 197 A N 1.970 124.914 122.820 0.206 0.000 2.498 197 A HA 0.423 4.743 4.320 -0.000 0.000 0.239 197 A C -0.275 177.369 177.584 0.101 0.000 1.068 197 A CA 0.151 52.331 52.037 0.239 0.000 0.766 197 A CB -0.294 18.795 19.000 0.148 0.000 1.003 197 A HN 0.718 nan 8.150 nan 0.000 0.497 198 D N 0.629 120.983 120.400 -0.077 0.000 2.372 198 D HA 0.540 5.180 4.640 -0.000 0.000 0.243 198 D C -0.272 175.847 176.300 -0.303 0.000 1.121 198 D CA 0.866 54.641 54.000 -0.375 0.000 0.898 198 D CB 0.641 41.163 40.800 -0.462 0.000 1.202 198 D HN 0.417 nan 8.370 nan 0.000 0.428 199 F N -1.158 118.560 119.950 -0.388 0.000 2.686 199 F HA 0.631 5.158 4.527 -0.000 0.000 0.311 199 F C -1.166 174.412 175.800 -0.370 0.000 1.128 199 F CA -1.388 56.315 58.000 -0.496 0.000 0.946 199 F CB 1.596 39.949 39.000 -1.078 0.000 1.336 199 F HN 0.152 nan 8.300 nan 0.000 0.457 200 M N 3.878 123.494 119.600 0.026 0.000 2.272 200 M HA 0.609 5.089 4.480 -0.000 0.000 0.240 200 M C -2.202 174.172 176.300 0.123 0.000 0.991 200 M CA -0.371 54.942 55.300 0.021 0.000 1.008 200 M CB 1.476 34.063 32.600 -0.021 0.000 2.221 200 M HN 1.047 nan 8.290 nan 0.000 0.469 201 V N 1.705 121.717 119.914 0.163 0.000 3.160 201 V HA 0.928 5.048 4.120 -0.000 0.000 0.310 201 V C -1.429 174.773 176.094 0.180 0.000 1.181 201 V CA -0.763 61.639 62.300 0.170 0.000 1.047 201 V CB 2.268 34.200 31.823 0.182 0.000 1.068 201 V HN 0.512 nan 8.190 nan 0.000 0.441 202 V N 2.513 122.513 119.914 0.144 0.000 2.482 202 V HA 0.554 4.674 4.120 -0.000 0.000 0.295 202 V C -0.780 175.378 176.094 0.106 0.000 1.026 202 V CA -0.272 62.096 62.300 0.114 0.000 0.856 202 V CB 1.254 33.154 31.823 0.127 0.000 1.001 202 V HN 0.898 nan 8.190 nan 0.000 0.424 203 L N 8.413 129.694 121.223 0.098 0.000 2.296 203 L HA 0.763 5.102 4.340 -0.000 0.000 0.286 203 L C -2.601 174.334 176.870 0.109 0.000 1.023 203 L CA -2.129 52.781 54.840 0.115 0.000 0.812 203 L CB 1.697 43.843 42.059 0.145 0.000 1.223 203 L HN 0.332 nan 8.230 nan 0.000 0.421 204 P HA 0.050 nan 4.420 nan 0.000 0.261 204 P C 0.362 177.728 177.300 0.110 0.000 1.173 204 P CA 0.426 63.590 63.100 0.107 0.000 0.760 204 P CB 0.571 32.335 31.700 0.107 0.000 0.783 205 S N 3.098 118.855 115.700 0.095 0.000 2.370 205 S HA -0.217 4.253 4.470 -0.000 0.000 0.226 205 S C 1.710 176.374 174.600 0.107 0.000 1.033 205 S CA 1.424 59.677 58.200 0.088 0.000 1.011 205 S CB -0.436 62.812 63.200 0.079 0.000 0.852 205 S HN 0.571 nan 8.310 nan 0.000 0.457 206 K N 1.170 121.637 120.400 0.112 0.000 2.113 206 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 206 K C 2.099 178.799 176.600 0.166 0.000 1.047 206 K CA 1.674 58.035 56.287 0.124 0.000 0.928 206 K CB -0.230 32.336 32.500 0.109 0.000 0.716 206 K HN 0.220 nan 8.250 nan 0.000 0.446 207 S N 1.135 116.949 115.700 0.190 0.000 2.383 207 S HA -0.077 4.393 4.470 -0.000 0.000 0.227 207 S C 1.829 176.628 174.600 0.332 0.000 1.026 207 S CA 1.111 59.491 58.200 0.300 0.000 0.981 207 S CB -0.191 63.176 63.200 0.279 0.000 0.818 207 S HN 0.272 nan 8.310 nan 0.000 0.472 208 L N 0.983 122.317 121.223 0.185 0.000 2.093 208 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 208 L C 2.740 179.668 176.870 0.096 0.000 1.085 208 L CA 1.121 56.005 54.840 0.073 0.000 0.755 208 L CB -0.424 41.641 42.059 0.011 0.000 0.904 208 L HN 0.249 nan 8.230 nan 0.000 0.435 209 R N -0.268 120.301 120.500 0.116 0.000 2.081 209 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 209 R C 2.194 178.554 176.300 0.100 0.000 1.131 209 R CA 1.065 57.226 56.100 0.103 0.000 0.960 209 R CB -0.254 30.107 30.300 0.102 0.000 0.856 209 R HN 0.322 nan 8.270 nan 0.000 0.436 210 E N 0.495 120.787 120.200 0.153 0.000 2.077 210 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 210 E C 1.697 178.274 176.600 -0.039 0.000 0.989 210 E CA 0.973 57.465 56.400 0.154 0.000 0.800 210 E CB -0.375 29.541 29.700 0.361 0.000 0.746 210 E HN 0.267 nan 8.360 nan 0.000 0.452 211 F N 2.008 121.729 119.950 -0.382 0.000 2.120 211 F HA -0.243 4.284 4.527 -0.000 0.000 0.300 211 F C 2.338 177.944 175.800 -0.323 0.000 1.095 211 F CA 1.739 59.258 58.000 -0.802 0.000 1.249 211 F CB -0.299 38.146 39.000 -0.926 0.000 0.995 211 F HN -0.125 nan 8.300 nan 0.000 0.480 212 S N 0.292 115.964 115.700 -0.047 0.000 2.382 212 S HA -0.096 4.374 4.470 -0.000 0.000 0.228 212 S C 2.235 176.751 174.600 -0.141 0.000 1.027 212 S CA 0.950 59.107 58.200 -0.072 0.000 0.991 212 S CB -0.715 62.518 63.200 0.056 0.000 0.823 212 S HN 0.568 nan 8.310 nan 0.000 0.469 213 A N 0.524 123.280 122.820 -0.108 0.000 2.016 213 A HA 0.083 4.403 4.320 -0.000 0.000 0.217 213 A C 2.208 179.705 177.584 -0.146 0.000 1.162 213 A CA 0.865 52.851 52.037 -0.085 0.000 0.662 213 A CB -0.406 18.577 19.000 -0.028 0.000 0.812 213 A HN 0.350 nan 8.150 nan 0.000 0.450 214 V N -1.473 118.295 119.914 -0.244 0.000 2.446 214 V HA 0.015 4.135 4.120 -0.000 0.000 0.244 214 V C 0.459 176.243 176.094 -0.516 0.000 1.039 214 V CA 0.750 62.841 62.300 -0.348 0.000 1.045 214 V CB -0.551 31.043 31.823 -0.382 0.000 0.681 214 V HN 0.473 nan 8.190 nan 0.000 0.459 215 F N 2.100 121.699 119.950 -0.586 0.000 2.377 215 F HA 0.289 4.816 4.527 -0.000 0.000 0.360 215 F C 1.175 176.786 175.800 -0.315 0.000 1.147 215 F CA -0.716 56.979 58.000 -0.508 0.000 1.170 215 F CB -0.126 38.362 39.000 -0.853 0.000 1.339 215 F HN 0.053 nan 8.300 nan 0.000 0.552 216 T N -1.497 113.000 114.554 -0.094 0.000 2.903 216 T HA -0.002 4.348 4.350 -0.000 0.000 0.314 216 T C 0.979 175.674 174.700 -0.007 0.000 1.078 216 T CA -0.844 61.236 62.100 -0.032 0.000 1.114 216 T CB 0.814 69.689 68.868 0.011 0.000 0.987 216 T HN 0.426 nan 8.240 nan 0.000 0.548 217 D N 0.950 121.345 120.400 -0.008 0.000 2.389 217 D HA -0.105 4.535 4.640 -0.000 0.000 0.221 217 D C 1.586 177.889 176.300 0.005 0.000 0.974 217 D CA 0.829 54.828 54.000 -0.002 0.000 0.923 217 D CB -0.155 40.641 40.800 -0.007 0.000 0.892 217 D HN 0.808 nan 8.370 nan 0.000 0.518 218 D N 0.107 120.513 120.400 0.009 0.000 2.347 218 D HA -0.085 4.555 4.640 -0.000 0.000 0.213 218 D C 0.888 177.203 176.300 0.025 0.000 0.985 218 D CA -0.026 53.982 54.000 0.013 0.000 0.879 218 D CB 0.348 41.156 40.800 0.012 0.000 0.919 218 D HN 0.235 nan 8.370 nan 0.000 0.526 219 I N 1.647 122.240 120.570 0.038 0.000 2.322 219 I HA 0.040 4.210 4.170 -0.000 0.000 0.292 219 I C 1.584 177.729 176.117 0.047 0.000 1.060 219 I CA -0.291 61.046 61.300 0.062 0.000 1.309 219 I CB 1.404 39.484 38.000 0.134 0.000 1.415 219 I HN -0.156 nan 8.210 nan 0.000 0.492 220 E N 3.732 123.950 120.200 0.030 0.000 2.028 220 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 220 E C 0.450 177.055 176.600 0.008 0.000 0.988 220 E CA 1.237 57.645 56.400 0.013 0.000 0.799 220 E CB 0.387 30.091 29.700 0.007 0.000 0.755 220 E HN 0.780 nan 8.360 nan 0.000 0.447 221 T N -2.199 112.363 114.554 0.013 0.000 2.896 221 T HA 0.571 4.921 4.350 -0.000 0.000 0.297 221 T C -0.511 174.194 174.700 0.009 0.000 1.108 221 T CA -0.693 61.406 62.100 -0.002 0.000 1.004 221 T CB 1.868 70.728 68.868 -0.014 0.000 1.159 221 T HN 0.038 nan 8.240 nan 0.000 0.499 222 V N -1.512 118.390 119.914 -0.020 0.000 2.914 222 V HA 0.754 4.874 4.120 -0.000 0.000 0.314 222 V C -0.755 175.310 176.094 -0.048 0.000 1.084 222 V CA -1.125 61.165 62.300 -0.017 0.000 0.963 222 V CB 1.793 33.558 31.823 -0.098 0.000 1.025 222 V HN 1.048 nan 8.190 nan 0.000 0.432 223 E N 1.721 121.892 120.200 -0.049 0.000 2.197 223 E HA 0.604 4.954 4.350 -0.000 0.000 0.281 223 E C -1.250 175.113 176.600 -0.394 0.000 0.995 223 E CA -0.683 55.581 56.400 -0.227 0.000 0.808 223 E CB 2.301 31.899 29.700 -0.169 0.000 1.093 223 E HN 0.639 nan 8.360 nan 0.000 0.394 224 V N 4.376 123.923 119.914 -0.611 0.000 2.398 224 V HA 0.396 4.516 4.120 -0.000 0.000 0.286 224 V C -0.654 174.794 176.094 -1.076 0.000 1.026 224 V CA -0.639 61.177 62.300 -0.808 0.000 0.868 224 V CB 0.251 31.639 31.823 -0.724 0.000 0.982 224 V HN 0.500 nan 8.190 nan 0.000 0.443 225 F N 4.018 123.524 119.950 -0.740 0.000 2.532 225 F HA 0.782 5.309 4.527 -0.000 0.000 0.321 225 F C -0.374 174.976 175.800 -0.750 0.000 1.089 225 F CA -0.696 57.000 58.000 -0.506 0.000 0.926 225 F CB 1.770 40.611 39.000 -0.264 0.000 1.168 225 F HN 0.285 nan 8.300 nan 0.000 0.459 226 F N 0.567 120.509 119.950 -0.013 0.000 2.561 226 F HA 0.758 5.285 4.527 -0.000 0.000 0.321 226 F C 0.007 175.811 175.800 0.007 0.000 1.065 226 F CA -0.828 57.133 58.000 -0.064 0.000 0.934 226 F CB 2.226 41.163 39.000 -0.106 0.000 1.215 226 F HN 0.441 nan 8.300 nan 0.000 0.471 227 S N 0.214 116.027 115.700 0.188 0.000 2.596 227 S HA 0.550 5.019 4.470 -0.000 0.000 0.270 227 S C -2.655 172.012 174.600 0.112 0.000 1.155 227 S CA -1.312 56.963 58.200 0.125 0.000 0.827 227 S CB 1.834 65.085 63.200 0.084 0.000 1.130 227 S HN 0.243 nan 8.310 nan 0.000 0.467 228 P HA -0.055 nan 4.420 nan 0.000 0.216 228 P C 1.201 178.540 177.300 0.065 0.000 1.150 228 P CA 1.778 64.919 63.100 0.070 0.000 0.837 228 P CB 0.020 31.750 31.700 0.051 0.000 0.786 229 S N -3.539 112.195 115.700 0.057 0.000 2.559 229 S HA 0.196 4.666 4.470 -0.000 0.000 0.226 229 S C 0.491 175.122 174.600 0.052 0.000 1.000 229 S CA -0.403 57.827 58.200 0.049 0.000 0.948 229 S CB -0.035 63.186 63.200 0.035 0.000 0.870 229 S HN 0.101 nan 8.310 nan 0.000 0.497 230 Q N 0.084 119.919 119.800 0.057 0.000 2.391 230 Q HA 0.637 4.977 4.340 -0.000 0.000 0.279 230 Q C -2.206 173.798 176.000 0.007 0.000 1.028 230 Q CA -0.776 55.058 55.803 0.053 0.000 0.836 230 Q CB 2.137 30.924 28.738 0.081 0.000 1.414 230 Q HN 0.481 nan 8.270 nan 0.000 0.397 231 I N 3.300 123.834 120.570 -0.060 0.000 2.608 231 I HA 0.535 4.705 4.170 -0.000 0.000 0.295 231 I C -1.889 174.013 176.117 -0.359 0.000 1.049 231 I CA -1.177 59.948 61.300 -0.292 0.000 1.063 231 I CB 1.711 39.459 38.000 -0.420 0.000 1.248 231 I HN 0.702 nan 8.210 nan 0.000 0.424 232 L N 7.472 128.380 121.223 -0.526 0.000 2.333 232 L HA 0.590 4.930 4.340 -0.000 0.000 0.280 232 L C -1.848 174.736 176.870 -0.477 0.000 1.004 232 L CA 0.059 54.603 54.840 -0.494 0.000 0.820 232 L CB 1.378 43.144 42.059 -0.488 0.000 1.247 232 L HN 0.395 nan 8.230 nan 0.000 0.416 233 F N 4.857 124.800 119.950 -0.011 0.000 2.388 233 F HA 0.618 5.145 4.527 0.000 0.000 0.358 233 F C 0.271 176.170 175.800 0.166 0.000 1.122 233 F CA -0.371 57.645 58.000 0.025 0.000 1.056 233 F CB 1.281 40.336 39.000 0.093 0.000 1.155 233 F HN 0.438 nan 8.300 nan 0.000 0.461 234 R N 2.197 122.859 120.500 0.270 0.000 2.561 234 R HA 0.656 4.996 4.340 -0.000 0.000 0.297 234 R C -0.709 175.751 176.300 0.267 0.000 0.969 234 R CA -0.371 55.914 56.100 0.309 0.000 0.879 234 R CB 1.522 31.987 30.300 0.274 0.000 1.178 234 R HN 0.809 nan 8.270 nan 0.000 0.445 235 S N 1.786 117.681 115.700 0.325 0.000 2.776 235 S HA 0.284 4.754 4.470 -0.000 0.000 0.306 235 S C 0.775 175.406 174.600 0.052 0.000 1.114 235 S CA -0.890 57.433 58.200 0.206 0.000 0.973 235 S CB 1.301 64.687 63.200 0.309 0.000 1.250 235 S HN 0.710 nan 8.310 nan 0.000 0.549 236 E N 0.560 120.693 120.200 -0.111 0.000 2.070 236 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 236 E C 0.941 177.293 176.600 -0.414 0.000 1.004 236 E CA 1.728 57.908 56.400 -0.366 0.000 0.805 236 E CB -0.277 28.988 29.700 -0.724 0.000 0.744 236 E HN 0.631 nan 8.360 nan 0.000 0.451 237 H N -1.831 117.276 119.070 0.061 0.000 3.058 237 H HA 0.333 4.889 4.556 -0.000 0.000 0.266 237 H C 0.262 175.608 175.328 0.031 0.000 1.135 237 H CA 0.027 56.098 56.048 0.038 0.000 1.174 237 H CB 0.951 30.723 29.762 0.016 0.000 1.581 237 H HN 0.026 nan 8.280 nan 0.000 0.553 238 I N 1.150 121.780 120.570 0.100 0.000 2.433 238 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 238 I C -0.244 175.990 176.117 0.195 0.000 1.001 238 I CA -0.463 60.872 61.300 0.058 0.000 1.119 238 I CB 2.200 40.065 38.000 -0.226 0.000 1.289 238 I HN -0.161 nan 8.210 nan 0.000 0.438 239 S N 5.798 121.632 115.700 0.223 0.000 2.596 239 S HA 0.462 4.932 4.470 -0.000 0.000 0.318 239 S C -0.886 173.932 174.600 0.364 0.000 1.097 239 S CA -0.391 57.968 58.200 0.265 0.000 1.080 239 S CB 0.807 64.160 63.200 0.254 0.000 0.991 239 S HN 0.395 nan 8.310 nan 0.000 0.471 240 F N 4.726 124.835 119.950 0.264 0.000 2.361 240 F HA 0.574 5.101 4.527 0.000 0.000 0.364 240 F C -1.293 174.631 175.800 0.206 0.000 1.117 240 F CA -0.748 57.464 58.000 0.353 0.000 1.071 240 F CB 0.402 39.785 39.000 0.638 0.000 1.188 240 F HN 0.473 nan 8.300 nan 0.000 0.464 241 Y N 3.063 123.265 120.300 -0.163 0.000 2.420 241 Y HA 0.593 5.143 4.550 -0.000 0.000 0.334 241 Y C 0.375 176.112 175.900 -0.272 0.000 1.094 241 Y CA -0.762 57.259 58.100 -0.131 0.000 1.126 241 Y CB 2.147 40.556 38.460 -0.085 0.000 1.217 241 Y HN 0.525 nan 8.280 nan 0.000 0.462 242 T N 3.013 117.595 114.554 0.046 0.000 2.982 242 T HA 0.452 4.802 4.350 -0.000 0.000 0.321 242 T C -0.834 173.905 174.700 0.066 0.000 1.229 242 T CA -0.878 61.241 62.100 0.032 0.000 1.044 242 T CB 0.802 69.740 68.868 0.117 0.000 1.184 242 T HN 0.680 nan 8.240 nan 0.000 0.477 243 R N 2.510 123.042 120.500 0.053 0.000 2.679 243 R HA 0.545 4.885 4.340 -0.000 0.000 0.269 243 R C -0.167 176.174 176.300 0.067 0.000 1.076 243 R CA -0.419 55.712 56.100 0.052 0.000 1.160 243 R CB 0.513 30.835 30.300 0.036 0.000 1.054 243 R HN 0.524 nan 8.270 nan 0.000 0.507 244 L N 2.227 123.489 121.223 0.064 0.000 2.334 244 L HA 0.428 4.768 4.340 -0.000 0.000 0.270 244 L C -0.205 176.707 176.870 0.070 0.000 1.018 244 L CA -0.928 53.958 54.840 0.076 0.000 0.811 244 L CB 1.130 43.238 42.059 0.081 0.000 1.271 244 L HN 0.351 nan 8.230 nan 0.000 0.443 245 L N 1.794 123.064 121.223 0.079 0.000 2.281 245 L HA 0.267 4.607 4.340 -0.000 0.000 0.285 245 L C 0.053 176.963 176.870 0.067 0.000 1.074 245 L CA -0.262 54.621 54.840 0.071 0.000 0.817 245 L CB 0.773 42.883 42.059 0.085 0.000 1.168 245 L HN 0.573 nan 8.230 nan 0.000 0.434 246 E N 2.091 122.322 120.200 0.050 0.000 2.343 246 E HA 0.661 5.011 4.350 -0.000 0.000 0.269 246 E C 0.362 176.982 176.600 0.033 0.000 1.047 246 E CA -0.039 56.386 56.400 0.042 0.000 0.874 246 E CB 1.537 31.256 29.700 0.032 0.000 1.033 246 E HN 0.771 nan 8.360 nan 0.000 0.409 247 G N 1.973 110.790 108.800 0.028 0.000 2.298 247 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.309 247 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.309 247 G C -1.456 173.450 174.900 0.009 0.000 1.279 247 G CA -0.995 44.112 45.100 0.012 0.000 1.042 247 G HN 0.457 nan 8.290 nan 0.000 0.480 248 N N -0.077 118.614 118.700 -0.014 0.000 2.407 248 N HA 0.439 5.179 4.740 -0.000 0.000 0.277 248 N C -1.426 174.047 175.510 -0.062 0.000 0.995 248 N CA -0.325 52.709 53.050 -0.027 0.000 0.903 248 N CB 2.095 40.562 38.487 -0.035 0.000 1.218 248 N HN 0.524 nan 8.380 nan 0.000 0.487 249 Y N 4.039 124.196 120.300 -0.239 0.000 2.359 249 Y HA 0.216 4.766 4.550 -0.000 0.000 0.334 249 Y C -1.511 174.232 175.900 -0.262 0.000 1.058 249 Y CA -1.177 56.722 58.100 -0.335 0.000 1.244 249 Y CB 0.550 38.555 38.460 -0.758 0.000 1.187 249 Y HN 0.445 nan 8.280 nan 0.000 0.510 250 P HA -0.099 nan 4.420 nan 0.000 0.269 250 P C -0.641 176.623 177.300 -0.060 0.000 1.211 250 P CA -0.041 62.918 63.100 -0.235 0.000 0.781 250 P CB 0.710 32.216 31.700 -0.322 0.000 0.877 251 D N 0.478 120.858 120.400 -0.033 0.000 2.424 251 D HA 0.022 4.662 4.640 -0.000 0.000 0.244 251 D C 0.783 177.099 176.300 0.027 0.000 1.134 251 D CA 0.428 54.439 54.000 0.018 0.000 0.881 251 D CB 0.795 41.592 40.800 -0.005 0.000 1.191 251 D HN 0.435 nan 8.370 nan 0.000 0.445 252 T N -0.447 114.149 114.554 0.070 0.000 2.969 252 T HA 0.046 4.396 4.350 -0.000 0.000 0.258 252 T C 0.977 175.695 174.700 0.030 0.000 0.962 252 T CA -0.334 61.801 62.100 0.059 0.000 0.903 252 T CB 0.245 69.190 68.868 0.128 0.000 1.177 252 T HN 0.184 nan 8.240 nan 0.000 0.511 253 D N 2.020 122.437 120.400 0.028 0.000 2.178 253 D HA -0.049 4.591 4.640 -0.000 0.000 0.201 253 D C 2.123 178.426 176.300 0.005 0.000 0.980 253 D CA 0.881 54.888 54.000 0.011 0.000 0.842 253 D CB -0.196 40.607 40.800 0.005 0.000 0.948 253 D HN 0.282 nan 8.370 nan 0.000 0.472 254 R N 0.831 121.333 120.500 0.003 0.000 2.127 254 R HA -0.041 4.299 4.340 -0.000 0.000 0.238 254 R C 1.969 178.266 176.300 -0.004 0.000 1.134 254 R CA 0.881 56.980 56.100 -0.003 0.000 0.975 254 R CB -0.593 29.702 30.300 -0.008 0.000 0.865 254 R HN 0.203 nan 8.270 nan 0.000 0.447 255 L N 0.381 121.599 121.223 -0.008 0.000 2.554 255 L HA 0.113 4.453 4.340 -0.000 0.000 0.226 255 L C 0.237 177.100 176.870 -0.012 0.000 1.137 255 L CA -0.214 54.616 54.840 -0.015 0.000 0.863 255 L CB -0.163 41.879 42.059 -0.030 0.000 0.985 255 L HN 0.105 nan 8.230 nan 0.000 0.451 256 L N 1.849 123.070 121.223 -0.003 0.000 2.530 256 L HA 0.032 4.372 4.340 -0.000 0.000 0.273 256 L C 0.351 177.231 176.870 0.018 0.000 1.141 256 L CA -0.095 54.747 54.840 0.002 0.000 0.905 256 L CB 0.288 42.351 42.059 0.007 0.000 1.202 256 L HN 0.138 nan 8.230 nan 0.000 0.473 257 M N 3.179 122.794 119.600 0.025 0.000 2.268 257 M HA 0.020 4.500 4.480 -0.000 0.000 0.349 257 M C 1.200 177.551 176.300 0.085 0.000 1.485 257 M CA 0.436 55.770 55.300 0.057 0.000 1.094 257 M CB 0.491 33.136 32.600 0.074 0.000 1.843 257 M HN 0.586 nan 8.290 nan 0.000 0.460 258 T N 1.911 116.511 114.554 0.077 0.000 2.866 258 T HA 0.052 4.402 4.350 -0.000 0.000 0.250 258 T C 0.574 175.342 174.700 0.114 0.000 1.033 258 T CA 0.888 63.037 62.100 0.082 0.000 1.145 258 T CB 0.276 69.171 68.868 0.044 0.000 0.866 258 T HN 0.590 nan 8.240 nan 0.000 0.434 259 E N 0.278 120.526 120.200 0.080 0.000 2.249 259 E HA 0.608 4.958 4.350 -0.000 0.000 0.263 259 E C -1.281 175.377 176.600 0.097 0.000 0.950 259 E CA -0.910 55.499 56.400 0.015 0.000 0.827 259 E CB 1.787 31.433 29.700 -0.091 0.000 1.220 259 E HN 0.337 nan 8.360 nan 0.000 0.411 260 F N -1.574 118.367 119.950 -0.015 0.000 2.643 260 F HA 0.527 5.054 4.527 0.000 0.000 0.314 260 F C 0.379 176.169 175.800 -0.015 0.000 1.096 260 F CA -0.848 57.145 58.000 -0.012 0.000 0.953 260 F CB 1.124 40.063 39.000 -0.103 0.000 1.345 260 F HN 0.221 nan 8.300 nan 0.000 0.468 261 E N 0.039 120.378 120.200 0.232 0.000 2.399 261 E HA 0.195 4.545 4.350 -0.000 0.000 0.205 261 E C -0.312 176.445 176.600 0.261 0.000 0.906 261 E CA 0.567 57.046 56.400 0.131 0.000 0.998 261 E CB 1.008 30.767 29.700 0.098 0.000 1.002 261 E HN 0.715 nan 8.360 nan 0.000 0.501 262 T N 0.773 115.568 114.554 0.401 0.000 2.909 262 T HA 0.428 4.778 4.350 -0.000 0.000 0.299 262 T C -0.977 173.891 174.700 0.280 0.000 1.073 262 T CA -0.713 61.573 62.100 0.311 0.000 0.999 262 T CB 2.818 71.812 68.868 0.209 0.000 1.098 262 T HN -0.071 nan 8.240 nan 0.000 0.477 263 E N 1.768 122.055 120.200 0.145 0.000 2.292 263 E HA 0.647 4.997 4.350 -0.000 0.000 0.272 263 E C -1.880 174.783 176.600 0.104 0.000 0.881 263 E CA -0.729 55.698 56.400 0.044 0.000 0.754 263 E CB 1.656 31.228 29.700 -0.213 0.000 1.201 263 E HN 0.367 nan 8.360 nan 0.000 0.425 264 V N 3.708 123.711 119.914 0.148 0.000 2.686 264 V HA 0.379 4.499 4.120 -0.000 0.000 0.306 264 V C -0.621 175.432 176.094 -0.070 0.000 1.065 264 V CA -0.858 61.422 62.300 -0.032 0.000 0.894 264 V CB 1.921 33.700 31.823 -0.074 0.000 1.004 264 V HN 0.551 nan 8.190 nan 0.000 0.424 265 V N 4.999 124.794 119.914 -0.199 0.000 2.435 265 V HA 0.642 4.762 4.120 -0.000 0.000 0.290 265 V C -0.711 175.266 176.094 -0.195 0.000 1.030 265 V CA -0.328 61.923 62.300 -0.081 0.000 0.881 265 V CB 1.390 33.185 31.823 -0.047 0.000 0.983 265 V HN 0.682 nan 8.190 nan 0.000 0.445 266 F N 1.804 121.757 119.950 0.005 0.000 2.631 266 F HA 0.460 4.986 4.527 -0.000 0.000 0.328 266 F C 0.408 176.205 175.800 -0.006 0.000 1.067 266 F CA -0.996 57.008 58.000 0.007 0.000 0.969 266 F CB 1.341 40.350 39.000 0.015 0.000 1.332 266 F HN 0.405 nan 8.300 nan 0.000 0.490 267 N N 0.595 119.431 118.700 0.226 0.000 2.430 267 N HA 0.049 4.789 4.740 -0.000 0.000 0.265 267 N C 0.551 176.106 175.510 0.075 0.000 1.100 267 N CA 0.244 53.358 53.050 0.107 0.000 0.961 267 N CB 1.425 39.957 38.487 0.075 0.000 1.075 267 N HN 0.670 nan 8.380 nan 0.000 0.478 268 T N 3.311 117.882 114.554 0.028 0.000 2.635 268 T HA -0.267 4.083 4.350 -0.000 0.000 0.267 268 T C 1.625 176.265 174.700 -0.100 0.000 1.040 268 T CA 1.576 63.658 62.100 -0.030 0.000 1.156 268 T CB -0.205 68.647 68.868 -0.027 0.000 0.863 268 T HN 0.680 nan 8.240 nan 0.000 0.430 269 Q N 0.575 120.302 119.800 -0.122 0.000 2.050 269 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 269 Q C 2.456 178.235 176.000 -0.368 0.000 0.980 269 Q CA 1.747 57.387 55.803 -0.272 0.000 0.840 269 Q CB -0.193 28.432 28.738 -0.189 0.000 0.898 269 Q HN 0.438 nan 8.270 nan 0.000 0.424 270 S N 0.862 116.482 115.700 -0.133 0.000 2.382 270 S HA -0.147 4.323 4.470 -0.000 0.000 0.228 270 S C 1.759 176.345 174.600 -0.023 0.000 1.027 270 S CA 1.134 59.318 58.200 -0.026 0.000 0.991 270 S CB -0.311 62.925 63.200 0.059 0.000 0.823 270 S HN 0.413 nan 8.310 nan 0.000 0.469 271 L N 2.054 123.244 121.223 -0.055 0.000 2.109 271 L HA 0.094 4.434 4.340 -0.000 0.000 0.207 271 L C 2.253 179.059 176.870 -0.106 0.000 1.086 271 L CA 1.595 56.367 54.840 -0.112 0.000 0.760 271 L CB -0.539 41.332 42.059 -0.313 0.000 0.910 271 L HN 0.115 nan 8.230 nan 0.000 0.437 272 R N -1.348 119.063 120.500 -0.148 0.000 2.083 272 R HA -0.201 4.139 4.340 -0.000 0.000 0.237 272 R C 2.305 178.595 176.300 -0.017 0.000 1.137 272 R CA 2.064 58.091 56.100 -0.121 0.000 0.951 272 R CB -0.457 29.727 30.300 -0.194 0.000 0.851 272 R HN 0.596 nan 8.270 nan 0.000 0.434 273 H N -0.903 118.164 119.070 -0.005 0.000 2.387 273 H HA -0.060 4.495 4.556 -0.000 0.000 0.299 273 H C 2.053 177.388 175.328 0.012 0.000 1.090 273 H CA 0.856 56.907 56.048 0.006 0.000 1.332 273 H CB 0.042 29.809 29.762 0.010 0.000 1.386 273 H HN 0.405 nan 8.280 nan 0.000 0.516 274 A N 1.017 123.912 122.820 0.125 0.000 1.933 274 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 274 A C 2.236 179.857 177.584 0.061 0.000 1.175 274 A CA 1.328 53.409 52.037 0.074 0.000 0.628 274 A CB -0.250 18.780 19.000 0.050 0.000 0.814 274 A HN 0.230 nan 8.150 nan 0.000 0.444 275 M N -0.350 119.283 119.600 0.055 0.000 2.229 275 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 275 M C 1.778 178.139 176.300 0.100 0.000 1.063 275 M CA 1.252 56.593 55.300 0.069 0.000 1.114 275 M CB -1.344 31.296 32.600 0.066 0.000 1.387 275 M HN 0.537 nan 8.290 nan 0.000 0.420 276 E N -0.519 119.743 120.200 0.104 0.000 2.204 276 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 276 E C 2.156 178.848 176.600 0.154 0.000 0.989 276 E CA 0.763 57.248 56.400 0.142 0.000 0.824 276 E CB -0.030 29.747 29.700 0.128 0.000 0.756 276 E HN 0.347 nan 8.360 nan 0.000 0.477 277 R N 0.638 121.198 120.500 0.101 0.000 2.066 277 R HA -0.071 4.268 4.340 -0.000 0.000 0.232 277 R C 2.214 178.546 176.300 0.053 0.000 1.131 277 R CA 1.352 57.489 56.100 0.061 0.000 0.955 277 R CB -0.238 30.085 30.300 0.039 0.000 0.851 277 R HN 0.140 nan 8.270 nan 0.000 0.432 278 A N -0.131 122.725 122.820 0.060 0.000 1.902 278 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 278 A C 2.009 179.636 177.584 0.072 0.000 1.181 278 A CA 1.305 53.365 52.037 0.038 0.000 0.623 278 A CB -0.777 18.233 19.000 0.017 0.000 0.818 278 A HN 0.459 nan 8.150 nan 0.000 0.443 279 F N 0.731 120.663 119.950 -0.031 0.000 2.126 279 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 279 F C 1.876 177.658 175.800 -0.029 0.000 1.096 279 F CA 1.489 59.469 58.000 -0.034 0.000 1.255 279 F CB -0.389 38.597 39.000 -0.024 0.000 0.997 279 F HN 0.144 nan 8.300 nan 0.000 0.479 280 L N -0.351 120.827 121.223 -0.077 0.000 2.081 280 L HA -0.286 4.054 4.340 -0.000 0.000 0.212 280 L C 2.285 179.038 176.870 -0.197 0.000 1.080 280 L CA 0.900 55.638 54.840 -0.169 0.000 0.754 280 L CB -0.616 41.416 42.059 -0.045 0.000 0.893 280 L HN 0.209 nan 8.230 nan 0.000 0.433 281 I N -0.989 119.501 120.570 -0.133 0.000 2.628 281 I HA -0.120 4.050 4.170 -0.000 0.000 0.255 281 I C 2.771 178.808 176.117 -0.134 0.000 1.119 281 I CA 1.421 62.653 61.300 -0.112 0.000 1.448 281 I CB -1.073 36.889 38.000 -0.063 0.000 1.133 281 I HN 0.277 nan 8.210 nan 0.000 0.438 282 S N 1.126 116.746 115.700 -0.133 0.000 2.402 282 S HA -0.178 4.292 4.470 -0.000 0.000 0.229 282 S C 1.710 176.200 174.600 -0.183 0.000 1.021 282 S CA 1.337 59.468 58.200 -0.114 0.000 0.974 282 S CB -0.800 62.371 63.200 -0.048 0.000 0.800 282 S HN 0.366 nan 8.310 nan 0.000 0.484 283 N N 2.050 120.518 118.700 -0.387 0.000 2.609 283 N HA 0.161 4.901 4.740 -0.000 0.000 0.190 283 N C 1.433 176.784 175.510 -0.264 0.000 1.157 283 N CA 0.765 53.532 53.050 -0.471 0.000 0.918 283 N CB -0.536 37.313 38.487 -1.064 0.000 0.978 283 N HN 0.567 nan 8.380 nan 0.000 0.448 284 A N -0.932 121.771 122.820 -0.194 0.000 1.969 284 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 284 A C 1.272 178.804 177.584 -0.086 0.000 1.169 284 A CA 1.455 53.417 52.037 -0.124 0.000 0.635 284 A CB -0.576 18.366 19.000 -0.098 0.000 0.810 284 A HN 0.468 nan 8.150 nan 0.000 0.445 285 T N -3.510 110.997 114.554 -0.079 0.000 2.940 285 T HA 0.524 4.874 4.350 -0.000 0.000 0.288 285 T C -0.453 174.222 174.700 -0.041 0.000 1.045 285 T CA -0.730 61.340 62.100 -0.049 0.000 1.018 285 T CB 1.306 70.153 68.868 -0.036 0.000 1.151 285 T HN 0.243 nan 8.240 nan 0.000 0.529 286 Q N 0.841 120.628 119.800 -0.022 0.000 2.286 286 Q HA 0.259 4.599 4.340 -0.000 0.000 0.257 286 Q C -0.143 175.855 176.000 -0.003 0.000 0.941 286 Q CA -0.179 55.618 55.803 -0.009 0.000 0.912 286 Q CB 0.195 28.933 28.738 -0.000 0.000 1.192 286 Q HN 0.787 nan 8.270 nan 0.000 0.410 287 N N 1.469 120.169 118.700 0.001 0.000 2.782 287 N HA -0.143 4.597 4.740 -0.000 0.000 0.251 287 N C -0.319 175.195 175.510 0.006 0.000 1.101 287 N CA 0.909 53.964 53.050 0.008 0.000 0.764 287 N CB -1.634 36.864 38.487 0.018 0.000 1.122 287 N HN 0.745 nan 8.380 nan 0.000 0.561 288 G N 0.504 109.300 108.800 -0.008 0.000 2.432 288 G HA2 0.375 4.335 3.960 -0.000 0.000 0.239 288 G HA3 0.375 4.335 3.960 -0.000 0.000 0.239 288 G C 0.621 175.515 174.900 -0.009 0.000 1.291 288 G CA 0.915 46.005 45.100 -0.018 0.000 0.863 288 G HN 0.382 nan 8.290 nan 0.000 0.560 289 T N -1.867 112.672 114.554 -0.024 0.000 2.887 289 T HA 0.646 4.996 4.350 -0.000 0.000 0.292 289 T C -0.696 173.937 174.700 -0.112 0.000 1.087 289 T CA -0.905 61.162 62.100 -0.055 0.000 1.009 289 T CB 1.951 70.800 68.868 -0.031 0.000 1.203 289 T HN 0.866 nan 8.240 nan 0.000 0.518 290 V N 0.659 120.422 119.914 -0.252 0.000 2.555 290 V HA 0.694 4.814 4.120 -0.000 0.000 0.302 290 V C -0.587 175.303 176.094 -0.340 0.000 1.038 290 V CA -0.961 61.173 62.300 -0.276 0.000 0.887 290 V CB 1.537 33.163 31.823 -0.329 0.000 0.991 290 V HN 1.079 nan 8.190 nan 0.000 0.434 291 K N 5.564 125.883 120.400 -0.135 0.000 2.240 291 K HA 0.524 4.844 4.320 -0.000 0.000 0.271 291 K C -1.430 175.187 176.600 0.029 0.000 1.018 291 K CA -0.712 55.541 56.287 -0.056 0.000 0.874 291 K CB 1.446 33.945 32.500 -0.001 0.000 1.098 291 K HN 0.606 nan 8.250 nan 0.000 0.458 292 L N 4.303 125.548 121.223 0.037 0.000 2.272 292 L HA 0.305 4.645 4.340 -0.000 0.000 0.289 292 L C -0.919 175.988 176.870 0.060 0.000 1.032 292 L CA 0.153 55.052 54.840 0.098 0.000 0.810 292 L CB 1.274 43.436 42.059 0.172 0.000 1.205 292 L HN 0.644 nan 8.230 nan 0.000 0.422 293 E N 6.066 126.327 120.200 0.102 0.000 2.092 293 E HA 0.391 4.741 4.350 -0.000 0.000 0.271 293 E C -0.937 175.686 176.600 0.038 0.000 0.919 293 E CA -0.166 56.264 56.400 0.050 0.000 0.760 293 E CB 1.326 31.069 29.700 0.072 0.000 1.106 293 E HN 0.521 nan 8.360 nan 0.000 0.408 294 I N 3.655 124.207 120.570 -0.030 0.000 2.330 294 I HA 0.235 4.405 4.170 -0.000 0.000 0.289 294 I C 0.262 176.369 176.117 -0.016 0.000 1.001 294 I CA -0.294 60.982 61.300 -0.040 0.000 1.193 294 I CB 1.174 39.085 38.000 -0.148 0.000 1.345 294 I HN 0.480 nan 8.210 nan 0.000 0.461 295 T N 1.731 116.303 114.554 0.030 0.000 2.864 295 T HA 0.405 4.755 4.350 -0.000 0.000 0.289 295 T C -0.466 174.268 174.700 0.058 0.000 1.082 295 T CA -1.088 61.041 62.100 0.050 0.000 1.009 295 T CB 1.536 70.453 68.868 0.083 0.000 1.234 295 T HN 0.246 nan 8.240 nan 0.000 0.526 296 Q N 2.016 121.855 119.800 0.065 0.000 2.262 296 Q HA 0.213 4.553 4.340 -0.000 0.000 0.272 296 Q C 0.356 176.354 176.000 -0.005 0.000 1.076 296 Q CA 0.515 56.336 55.803 0.029 0.000 0.905 296 Q CB 0.118 28.874 28.738 0.030 0.000 1.182 296 Q HN 0.912 nan 8.270 nan 0.000 0.390 297 N N 1.978 120.606 118.700 -0.120 0.000 2.800 297 N HA -0.225 4.515 4.740 -0.000 0.000 0.250 297 N C -1.610 173.521 175.510 -0.632 0.000 1.078 297 N CA 1.065 53.924 53.050 -0.319 0.000 0.804 297 N CB -1.197 37.081 38.487 -0.347 0.000 1.135 297 N HN 0.700 nan 8.380 nan 0.000 0.565 298 H N -0.689 118.377 119.070 -0.007 0.000 3.096 298 H HA 0.512 5.069 4.556 0.000 0.000 0.335 298 H C -0.696 174.642 175.328 0.016 0.000 0.990 298 H CA -0.659 55.394 56.048 0.008 0.000 1.393 298 H CB 0.846 30.616 29.762 0.014 0.000 1.742 298 H HN -0.035 nan 8.280 nan 0.000 0.501 299 I N 2.971 123.613 120.570 0.119 0.000 2.447 299 I HA 0.411 4.581 4.170 -0.000 0.000 0.287 299 I C -0.144 176.051 176.117 0.130 0.000 1.023 299 I CA -0.552 60.816 61.300 0.113 0.000 1.083 299 I CB 1.358 39.417 38.000 0.100 0.000 1.245 299 I HN 0.629 nan 8.210 nan 0.000 0.434 300 S N 3.953 119.737 115.700 0.140 0.000 2.569 300 S HA 0.944 5.414 4.470 -0.000 0.000 0.280 300 S C -0.698 173.929 174.600 0.045 0.000 1.111 300 S CA -0.803 57.443 58.200 0.077 0.000 0.887 300 S CB 2.642 65.910 63.200 0.114 0.000 1.095 300 S HN 0.787 nan 8.310 nan 0.000 0.476 301 A N 1.424 124.156 122.820 -0.147 0.000 2.330 301 A HA 0.826 5.146 4.320 -0.000 0.000 0.327 301 A C -1.159 176.189 177.584 -0.395 0.000 1.155 301 A CA -0.621 51.345 52.037 -0.118 0.000 0.803 301 A CB 0.421 19.385 19.000 -0.060 0.000 1.208 301 A HN 0.931 nan 8.150 nan 0.000 0.477 302 H N -0.405 118.645 119.070 -0.033 0.000 2.771 302 H HA 0.657 5.213 4.556 0.000 0.000 0.361 302 H C -0.961 174.335 175.328 -0.053 0.000 1.108 302 H CA -0.563 55.465 56.048 -0.034 0.000 1.201 302 H CB 2.042 31.788 29.762 -0.028 0.000 1.681 302 H HN 0.431 nan 8.280 nan 0.000 0.534 303 V N 2.274 122.218 119.914 0.050 0.000 2.760 303 V HA 0.363 4.483 4.120 -0.000 0.000 0.309 303 V C -0.678 175.423 176.094 0.013 0.000 1.077 303 V CA -0.929 61.376 62.300 0.007 0.000 0.910 303 V CB 2.173 33.982 31.823 -0.024 0.000 1.008 303 V HN 0.903 nan 8.190 nan 0.000 0.424 304 N N 1.708 120.408 118.700 0.001 0.000 2.549 304 N HA 0.378 5.118 4.740 -0.000 0.000 0.281 304 N C -1.203 174.298 175.510 -0.015 0.000 1.084 304 N CA -0.185 52.864 53.050 -0.002 0.000 0.862 304 N CB 1.337 39.827 38.487 0.004 0.000 1.333 304 N HN 0.579 nan 8.380 nan 0.000 0.523 305 S N 3.803 119.490 115.700 -0.022 0.000 2.505 305 S HA 0.357 4.827 4.470 -0.000 0.000 0.280 305 S C -2.545 172.041 174.600 -0.023 0.000 1.197 305 S CA -0.990 57.193 58.200 -0.028 0.000 1.138 305 S CB 1.169 64.343 63.200 -0.043 0.000 1.010 305 S HN 0.536 nan 8.310 nan 0.000 0.480 306 P HA -0.061 nan 4.420 nan 0.000 0.261 306 P C 0.683 177.973 177.300 -0.017 0.000 1.165 306 P CA 0.716 63.807 63.100 -0.015 0.000 0.759 306 P CB 0.082 31.775 31.700 -0.012 0.000 0.772 307 E N -0.229 119.963 120.200 -0.015 0.000 3.547 307 E HA -0.271 4.079 4.350 -0.000 0.000 0.300 307 E C -0.530 176.058 176.600 -0.019 0.000 0.857 307 E CA 1.230 57.621 56.400 -0.015 0.000 1.039 307 E CB -2.021 27.670 29.700 -0.014 0.000 1.524 307 E HN 0.206 nan 8.360 nan 0.000 0.457 308 V N -0.982 118.919 119.914 -0.023 0.000 3.134 308 V HA 0.576 4.696 4.120 -0.000 0.000 0.222 308 V C 1.158 177.235 176.094 -0.028 0.000 1.247 308 V CA 0.824 63.106 62.300 -0.029 0.000 1.281 308 V CB 1.043 32.842 31.823 -0.039 0.000 1.169 308 V HN 0.634 nan 8.190 nan 0.000 0.512 309 G N 0.418 109.201 108.800 -0.027 0.000 2.342 309 G HA2 0.543 4.502 3.960 -0.000 0.000 0.297 309 G HA3 0.543 4.502 3.960 -0.000 0.000 0.297 309 G C -1.914 172.974 174.900 -0.020 0.000 1.313 309 G CA -0.209 44.877 45.100 -0.024 0.000 0.830 309 G HN 0.475 nan 8.290 nan 0.000 0.506 310 K N -1.619 118.772 120.400 -0.015 0.000 2.532 310 K HA 0.799 5.119 4.320 -0.000 0.000 0.265 310 K C -1.722 174.871 176.600 -0.011 0.000 0.948 310 K CA -0.971 55.312 56.287 -0.008 0.000 0.842 310 K CB 2.463 34.967 32.500 0.006 0.000 1.392 310 K HN 0.571 nan 8.250 nan 0.000 0.436 311 V N 1.608 121.515 119.914 -0.012 0.000 2.656 311 V HA 0.467 4.587 4.120 -0.000 0.000 0.307 311 V C -1.145 174.911 176.094 -0.063 0.000 1.051 311 V CA -0.777 61.503 62.300 -0.033 0.000 0.893 311 V CB 1.734 33.532 31.823 -0.040 0.000 0.999 311 V HN 0.911 nan 8.190 nan 0.000 0.426 312 N N 3.395 122.038 118.700 -0.095 0.000 2.549 312 N HA 0.329 5.069 4.740 -0.000 0.000 0.281 312 N C -1.294 174.108 175.510 -0.180 0.000 1.084 312 N CA -0.263 52.666 53.050 -0.201 0.000 0.862 312 N CB 2.250 40.706 38.487 -0.051 0.000 1.333 312 N HN 0.924 nan 8.380 nan 0.000 0.523 313 E N 2.492 122.541 120.200 -0.251 0.000 2.246 313 E HA 0.268 4.618 4.350 -0.000 0.000 0.266 313 E C -1.394 175.151 176.600 -0.092 0.000 0.880 313 E CA -0.623 55.705 56.400 -0.121 0.000 0.762 313 E CB 1.311 30.969 29.700 -0.070 0.000 1.180 313 E HN 0.367 nan 8.360 nan 0.000 0.416 314 D N 4.133 124.518 120.400 -0.024 0.000 2.308 314 D HA 0.271 4.911 4.640 -0.000 0.000 0.251 314 D C -0.251 176.079 176.300 0.049 0.000 1.127 314 D CA 0.051 54.067 54.000 0.025 0.000 0.876 314 D CB 1.032 41.860 40.800 0.047 0.000 1.176 314 D HN 0.361 nan 8.370 nan 0.000 0.446 315 L N 1.983 123.256 121.223 0.083 0.000 2.325 315 L HA 0.340 4.680 4.340 -0.000 0.000 0.278 315 L C 0.234 177.166 176.870 0.104 0.000 1.023 315 L CA -1.043 53.871 54.840 0.124 0.000 0.811 315 L CB 1.528 43.721 42.059 0.223 0.000 1.249 315 L HN 0.080 nan 8.230 nan 0.000 0.431 316 D N 2.958 123.420 120.400 0.102 0.000 2.264 316 D HA 0.602 5.242 4.640 -0.000 0.000 0.249 316 D C -0.189 176.142 176.300 0.052 0.000 1.070 316 D CA 0.021 54.054 54.000 0.054 0.000 0.912 316 D CB 2.130 42.960 40.800 0.050 0.000 1.193 316 D HN 0.417 nan 8.370 nan 0.000 0.427 317 I N -2.371 118.166 120.570 -0.055 0.000 3.074 317 I HA 0.407 4.577 4.170 -0.000 0.000 0.310 317 I C 0.249 176.293 176.117 -0.121 0.000 1.153 317 I CA -1.007 60.183 61.300 -0.183 0.000 0.993 317 I CB 1.735 39.498 38.000 -0.395 0.000 1.237 317 I HN 0.055 nan 8.210 nan 0.000 0.443 318 V N 1.552 121.388 119.914 -0.130 0.000 2.426 318 V HA 0.067 4.187 4.120 -0.000 0.000 0.242 318 V C 0.942 176.984 176.094 -0.086 0.000 1.036 318 V CA 1.755 64.011 62.300 -0.073 0.000 1.044 318 V CB -0.186 31.612 31.823 -0.043 0.000 0.688 318 V HN 0.997 nan 8.190 nan 0.000 0.462 319 S N -0.570 115.056 115.700 -0.123 0.000 2.636 319 S HA 0.654 5.124 4.470 -0.000 0.000 0.268 319 S C -1.312 173.215 174.600 -0.121 0.000 1.159 319 S CA -0.743 57.399 58.200 -0.097 0.000 0.815 319 S CB 2.318 65.486 63.200 -0.054 0.000 1.130 319 S HN 0.534 nan 8.310 nan 0.000 0.471 320 Q N -0.341 119.413 119.800 -0.077 0.000 2.575 320 Q HA 0.790 5.130 4.340 -0.000 0.000 0.290 320 Q C -1.404 174.589 176.000 -0.013 0.000 0.963 320 Q CA -0.842 54.926 55.803 -0.058 0.000 0.783 320 Q CB 1.576 30.268 28.738 -0.078 0.000 1.467 320 Q HN 1.473 nan 8.270 nan 0.000 0.402 321 S N -0.543 115.169 115.700 0.020 0.000 2.625 321 S HA 0.901 5.371 4.470 -0.000 0.000 0.271 321 S C 0.317 174.966 174.600 0.082 0.000 1.161 321 S CA 0.115 58.345 58.200 0.050 0.000 0.820 321 S CB 1.207 64.453 63.200 0.075 0.000 1.137 321 S HN 2.059 nan 8.310 nan 0.000 0.470 322 G N 1.223 110.074 108.800 0.085 0.000 2.642 322 G HA2 0.040 4.000 3.960 -0.000 0.000 0.231 322 G HA3 0.040 4.000 3.960 -0.000 0.000 0.231 322 G C 0.076 175.009 174.900 0.055 0.000 1.338 322 G CA -0.031 45.123 45.100 0.091 0.000 0.883 322 G HN 2.004 nan 8.290 nan 0.000 0.570 323 S N -0.331 115.402 115.700 0.055 0.000 2.632 323 S HA 0.526 4.996 4.470 -0.000 0.000 0.267 323 S C 0.197 174.803 174.600 0.009 0.000 1.276 323 S CA 0.357 58.575 58.200 0.028 0.000 0.998 323 S CB 0.707 63.922 63.200 0.026 0.000 0.953 323 S HN 0.649 nan 8.310 nan 0.000 0.547 324 D N 0.705 121.103 120.400 -0.003 0.000 2.357 324 D HA 0.547 5.187 4.640 -0.000 0.000 0.242 324 D C -0.364 175.911 176.300 -0.041 0.000 1.153 324 D CA 0.112 54.099 54.000 -0.021 0.000 0.918 324 D CB 0.798 41.592 40.800 -0.010 0.000 1.181 324 D HN 0.413 nan 8.370 nan 0.000 0.435 325 L N -0.281 120.895 121.223 -0.078 0.000 2.643 325 L HA 0.359 4.699 4.340 -0.000 0.000 0.256 325 L C -1.468 175.334 176.870 -0.115 0.000 0.931 325 L CA -0.149 54.630 54.840 -0.101 0.000 0.895 325 L CB 2.329 44.285 42.059 -0.172 0.000 1.430 325 L HN 0.288 nan 8.230 nan 0.000 0.419 326 T N 5.338 119.849 114.554 -0.071 0.000 2.812 326 T HA 0.715 5.065 4.350 -0.000 0.000 0.282 326 T C -1.055 173.634 174.700 -0.019 0.000 0.990 326 T CA -0.163 61.907 62.100 -0.049 0.000 0.960 326 T CB 0.992 69.841 68.868 -0.032 0.000 0.948 326 T HN 0.618 nan 8.240 nan 0.000 0.438 327 I N 1.828 122.400 120.570 0.005 0.000 2.656 327 I HA 0.584 4.754 4.170 -0.000 0.000 0.292 327 I C -0.912 175.322 176.117 0.194 0.000 1.144 327 I CA -0.362 61.004 61.300 0.108 0.000 1.038 327 I CB 1.898 39.964 38.000 0.109 0.000 1.244 327 I HN 0.525 nan 8.210 nan 0.000 0.420 328 S N 6.461 122.293 115.700 0.220 0.000 2.537 328 S HA 0.876 5.346 4.470 -0.000 0.000 0.301 328 S C -1.039 173.772 174.600 0.352 0.000 1.092 328 S CA -0.430 57.852 58.200 0.137 0.000 1.048 328 S CB 1.558 64.794 63.200 0.060 0.000 1.053 328 S HN 0.510 nan 8.310 nan 0.000 0.501 329 F N -0.637 119.427 119.950 0.189 0.000 2.807 329 F HA 0.510 5.036 4.527 -0.000 0.000 0.316 329 F C -1.040 174.874 175.800 0.190 0.000 1.162 329 F CA -1.244 56.906 58.000 0.251 0.000 0.910 329 F CB 0.723 39.975 39.000 0.420 0.000 1.314 329 F HN 0.394 nan 8.300 nan 0.000 0.454 330 N N 3.299 122.234 118.700 0.392 0.000 2.420 330 N HA 0.253 4.993 4.740 -0.000 0.000 0.262 330 N C -1.631 174.013 175.510 0.223 0.000 1.144 330 N CA -2.046 51.092 53.050 0.148 0.000 0.952 330 N CB 1.274 39.725 38.487 -0.060 0.000 1.081 330 N HN 0.465 nan 8.380 nan 0.000 0.480 331 P HA -0.124 nan 4.420 nan 0.000 0.218 331 P C 0.964 178.285 177.300 0.035 0.000 1.146 331 P CA 1.260 64.464 63.100 0.173 0.000 0.813 331 P CB 0.219 31.993 31.700 0.123 0.000 0.778 332 T N -0.871 113.564 114.554 -0.198 0.000 2.788 332 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 332 T C 1.591 176.180 174.700 -0.184 0.000 1.044 332 T CA 1.350 63.190 62.100 -0.434 0.000 1.139 332 T CB -0.828 67.684 68.868 -0.594 0.000 0.867 332 T HN 0.071 nan 8.240 nan 0.000 0.454 333 Y N 0.724 121.050 120.300 0.045 0.000 2.200 333 Y HA 0.072 4.622 4.550 -0.000 0.000 0.290 333 Y C 2.143 178.063 175.900 0.033 0.000 1.137 333 Y CA -0.223 57.911 58.100 0.058 0.000 1.163 333 Y CB -0.974 37.533 38.460 0.078 0.000 0.988 333 Y HN 0.125 nan 8.280 nan 0.000 0.518 334 L N -0.041 121.323 121.223 0.234 0.000 2.072 334 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 334 L C 2.059 178.949 176.870 0.033 0.000 1.079 334 L CA 1.374 56.295 54.840 0.134 0.000 0.752 334 L CB -0.870 41.335 42.059 0.244 0.000 0.906 334 L HN 0.165 nan 8.230 nan 0.000 0.436 335 I N -0.308 120.261 120.570 -0.001 0.000 2.127 335 I HA -0.342 3.828 4.170 -0.000 0.000 0.241 335 I C 2.379 178.418 176.117 -0.130 0.000 1.075 335 I CA 1.794 63.044 61.300 -0.083 0.000 1.334 335 I CB -0.360 37.545 38.000 -0.158 0.000 1.040 335 I HN 0.352 nan 8.210 nan 0.000 0.405 336 E N 0.209 120.324 120.200 -0.142 0.000 2.106 336 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 336 E C 2.316 178.674 176.600 -0.402 0.000 0.984 336 E CA 1.359 57.583 56.400 -0.293 0.000 0.806 336 E CB -0.049 29.529 29.700 -0.204 0.000 0.750 336 E HN 0.358 nan 8.360 nan 0.000 0.458 337 S N 0.854 116.477 115.700 -0.129 0.000 2.382 337 S HA -0.083 4.387 4.470 -0.000 0.000 0.228 337 S C 1.962 176.508 174.600 -0.090 0.000 1.027 337 S CA 0.748 58.922 58.200 -0.043 0.000 0.991 337 S CB -0.076 63.126 63.200 0.003 0.000 0.823 337 S HN 0.187 nan 8.310 nan 0.000 0.469 338 L N 0.930 122.091 121.223 -0.104 0.000 2.156 338 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 338 L C 2.306 179.120 176.870 -0.094 0.000 1.095 338 L CA 0.995 55.779 54.840 -0.093 0.000 0.770 338 L CB -0.384 41.613 42.059 -0.103 0.000 0.914 338 L HN 0.212 nan 8.230 nan 0.000 0.439 339 K N 0.379 120.692 120.400 -0.145 0.000 2.147 339 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 339 K C 2.087 178.625 176.600 -0.104 0.000 1.049 339 K CA 1.324 57.529 56.287 -0.137 0.000 0.936 339 K CB -0.206 32.180 32.500 -0.190 0.000 0.722 339 K HN 0.269 nan 8.250 nan 0.000 0.446 340 A N 1.002 123.750 122.820 -0.120 0.000 2.167 340 A HA 0.037 4.357 4.320 -0.000 0.000 0.214 340 A C 0.959 178.690 177.584 0.246 0.000 1.151 340 A CA 0.381 52.458 52.037 0.067 0.000 0.735 340 A CB -0.188 18.949 19.000 0.229 0.000 0.802 340 A HN 0.130 nan 8.150 nan 0.000 0.467 341 I N 0.416 121.089 120.570 0.172 0.000 2.297 341 I HA 0.108 4.278 4.170 -0.000 0.000 0.291 341 I C 0.748 176.922 176.117 0.094 0.000 1.033 341 I CA -0.244 61.174 61.300 0.197 0.000 1.253 341 I CB 1.424 39.470 38.000 0.078 0.000 1.396 341 I HN 0.183 nan 8.210 nan 0.000 0.476 342 K N 2.786 123.243 120.400 0.095 0.000 2.305 342 K HA 0.016 4.336 4.320 -0.000 0.000 0.199 342 K C 1.080 177.702 176.600 0.036 0.000 1.047 342 K CA 0.175 56.488 56.287 0.044 0.000 0.976 342 K CB 0.169 32.686 32.500 0.028 0.000 0.765 342 K HN 0.553 nan 8.250 nan 0.000 0.474 343 S N 1.488 117.220 115.700 0.052 0.000 2.558 343 S HA -0.099 4.371 4.470 -0.000 0.000 0.288 343 S C 1.200 175.814 174.600 0.024 0.000 1.318 343 S CA -0.154 58.068 58.200 0.038 0.000 1.056 343 S CB 1.005 64.232 63.200 0.045 0.000 0.853 343 S HN 0.332 nan 8.310 nan 0.000 0.505 344 E N 2.076 122.288 120.200 0.019 0.000 2.153 344 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 344 E C 0.662 177.275 176.600 0.021 0.000 0.988 344 E CA 1.307 57.716 56.400 0.016 0.000 0.811 344 E CB 0.034 29.744 29.700 0.016 0.000 0.746 344 E HN 0.805 nan 8.360 nan 0.000 0.466 345 T N -2.361 112.209 114.554 0.026 0.000 2.930 345 T HA 0.579 4.929 4.350 -0.000 0.000 0.290 345 T C -0.683 174.038 174.700 0.034 0.000 1.052 345 T CA -0.879 61.245 62.100 0.040 0.000 1.017 345 T CB 2.077 70.966 68.868 0.035 0.000 1.137 345 T HN -0.045 nan 8.240 nan 0.000 0.511 346 V N 0.805 120.755 119.914 0.060 0.000 2.733 346 V HA 0.579 4.699 4.120 -0.000 0.000 0.306 346 V C -1.413 174.716 176.094 0.058 0.000 1.084 346 V CA -0.899 61.419 62.300 0.029 0.000 0.905 346 V CB 1.886 33.713 31.823 0.007 0.000 1.010 346 V HN 0.977 nan 8.190 nan 0.000 0.424 347 K N 7.392 127.771 120.400 -0.036 0.000 2.211 347 K HA 0.617 4.937 4.320 -0.000 0.000 0.275 347 K C -0.953 175.566 176.600 -0.135 0.000 1.024 347 K CA -0.352 55.892 56.287 -0.070 0.000 0.887 347 K CB 1.750 34.150 32.500 -0.167 0.000 1.084 347 K HN 0.608 nan 8.250 nan 0.000 0.463 348 I N 3.150 123.706 120.570 -0.024 0.000 2.406 348 I HA 0.229 4.399 4.170 -0.000 0.000 0.290 348 I C -0.174 175.844 176.117 -0.165 0.000 0.999 348 I CA -0.713 60.496 61.300 -0.152 0.000 1.124 348 I CB 1.242 39.194 38.000 -0.079 0.000 1.289 348 I HN 0.512 nan 8.210 nan 0.000 0.441 349 H N 6.056 124.860 119.070 -0.443 0.000 2.476 349 H HA 0.476 5.032 4.556 -0.000 0.000 0.328 349 H C -1.189 173.948 175.328 -0.317 0.000 1.073 349 H CA -0.653 55.171 56.048 -0.375 0.000 1.229 349 H CB 1.532 31.087 29.762 -0.346 0.000 1.432 349 H HN 0.342 nan 8.280 nan 0.000 0.477 350 F N 2.165 122.226 119.950 0.184 0.000 2.522 350 F HA 0.146 4.673 4.527 -0.000 0.000 0.324 350 F C 0.400 176.325 175.800 0.208 0.000 1.077 350 F CA -0.823 57.292 58.000 0.192 0.000 0.944 350 F CB 1.576 40.634 39.000 0.098 0.000 1.175 350 F HN 0.357 nan 8.300 nan 0.000 0.468 351 L N 0.989 122.436 121.223 0.372 0.000 2.515 351 L HA 0.448 4.788 4.340 -0.000 0.000 0.202 351 L C 0.384 177.371 176.870 0.195 0.000 1.056 351 L CA 0.883 55.872 54.840 0.248 0.000 0.847 351 L CB 0.109 42.281 42.059 0.187 0.000 1.131 351 L HN 0.687 nan 8.230 nan 0.000 0.484 352 S N -2.926 112.898 115.700 0.207 0.000 2.636 352 S HA 0.462 4.932 4.470 -0.000 0.000 0.266 352 S C -2.547 172.155 174.600 0.169 0.000 1.147 352 S CA -0.410 57.879 58.200 0.148 0.000 0.815 352 S CB 0.672 63.937 63.200 0.109 0.000 1.119 352 S HN -0.113 nan 8.310 nan 0.000 0.470 353 P HA 0.016 nan 4.420 nan 0.000 0.222 353 P C 1.223 178.622 177.300 0.165 0.000 1.147 353 P CA 1.463 64.642 63.100 0.132 0.000 0.790 353 P CB -0.103 31.648 31.700 0.084 0.000 0.780 354 V N -5.759 114.241 119.914 0.144 0.000 3.528 354 V HA 0.333 4.453 4.120 -0.000 0.000 0.294 354 V C 0.523 176.700 176.094 0.140 0.000 1.404 354 V CA -0.103 62.279 62.300 0.138 0.000 1.065 354 V CB -0.295 31.588 31.823 0.099 0.000 0.904 354 V HN -0.162 nan 8.190 nan 0.000 0.435 355 R N 1.245 121.842 120.500 0.162 0.000 2.668 355 R HA 0.611 4.951 4.340 -0.000 0.000 0.279 355 R C -2.919 173.492 176.300 0.185 0.000 0.976 355 R CA -2.703 53.483 56.100 0.144 0.000 0.978 355 R CB 0.545 30.923 30.300 0.131 0.000 1.133 355 R HN 0.132 nan 8.270 nan 0.000 0.484 356 P HA 0.046 nan 4.420 nan 0.000 0.268 356 P C -0.749 176.607 177.300 0.092 0.000 1.205 356 P CA 0.158 63.275 63.100 0.030 0.000 0.771 356 P CB 0.240 31.906 31.700 -0.058 0.000 0.858 357 F N -0.588 119.330 119.950 -0.053 0.000 2.470 357 F HA 0.777 5.304 4.527 -0.000 0.000 0.329 357 F C 0.118 175.777 175.800 -0.235 0.000 1.072 357 F CA -1.011 56.883 58.000 -0.177 0.000 0.989 357 F CB 0.815 39.595 39.000 -0.367 0.000 1.193 357 F HN 0.215 nan 8.300 nan 0.000 0.481 358 T N 1.388 115.883 114.554 -0.098 0.000 2.885 358 T HA 0.769 5.119 4.350 -0.000 0.000 0.285 358 T C -0.977 173.586 174.700 -0.228 0.000 1.019 358 T CA -0.854 61.135 62.100 -0.184 0.000 1.010 358 T CB 1.430 70.221 68.868 -0.129 0.000 1.022 358 T HN 0.784 nan 8.240 nan 0.000 0.466 359 L N 2.986 124.052 121.223 -0.261 0.000 2.365 359 L HA 0.759 5.099 4.340 -0.000 0.000 0.273 359 L C 0.099 176.767 176.870 -0.337 0.000 1.000 359 L CA -0.994 53.683 54.840 -0.272 0.000 0.819 359 L CB 2.260 44.181 42.059 -0.231 0.000 1.284 359 L HN 1.057 nan 8.230 nan 0.000 0.418 360 T N -0.608 113.763 114.554 -0.305 0.000 2.903 360 T HA 0.569 4.919 4.350 -0.000 0.000 0.299 360 T C -2.987 171.611 174.700 -0.169 0.000 1.093 360 T CA -2.150 59.790 62.100 -0.267 0.000 1.002 360 T CB 2.257 70.980 68.868 -0.242 0.000 1.127 360 T HN 0.291 nan 8.240 nan 0.000 0.488 361 P HA 0.198 nan 4.420 nan 0.000 0.271 361 P C 1.133 178.422 177.300 -0.019 0.000 1.220 361 P CA -0.064 63.028 63.100 -0.013 0.000 0.768 361 P CB 0.773 32.518 31.700 0.075 0.000 0.848 362 G N 2.943 111.737 108.800 -0.010 0.000 2.470 362 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 362 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 362 G C 1.184 176.086 174.900 0.003 0.000 1.121 362 G CA 0.315 45.411 45.100 -0.007 0.000 0.766 362 G HN 0.379 nan 8.290 nan 0.000 0.553 363 D N 0.642 121.050 120.400 0.013 0.000 2.144 363 D HA -0.077 4.563 4.640 -0.000 0.000 0.199 363 D C 1.377 177.688 176.300 0.017 0.000 0.984 363 D CA 0.811 54.822 54.000 0.018 0.000 0.834 363 D CB -0.139 40.678 40.800 0.028 0.000 0.955 363 D HN 0.518 nan 8.370 nan 0.000 0.465 364 E N -0.793 119.418 120.200 0.018 0.000 2.971 364 E HA -0.229 4.121 4.350 -0.000 0.000 0.278 364 E C 0.631 177.246 176.600 0.025 0.000 1.009 364 E CA 0.410 56.821 56.400 0.018 0.000 0.862 364 E CB -0.669 29.038 29.700 0.013 0.000 1.436 364 E HN 0.355 nan 8.360 nan 0.000 0.434 365 E N 0.351 120.570 120.200 0.030 0.000 2.358 365 E HA -0.066 4.284 4.350 -0.000 0.000 0.195 365 E C 0.696 177.313 176.600 0.027 0.000 1.010 365 E CA 1.234 57.648 56.400 0.024 0.000 0.856 365 E CB 0.090 29.803 29.700 0.021 0.000 0.795 365 E HN 0.649 nan 8.360 nan 0.000 0.504 366 E N -1.243 118.987 120.200 0.049 0.000 2.445 366 E HA 0.341 4.691 4.350 -0.000 0.000 0.279 366 E C -0.931 175.722 176.600 0.088 0.000 1.018 366 E CA -0.713 55.720 56.400 0.054 0.000 0.816 366 E CB 1.021 30.742 29.700 0.036 0.000 1.356 366 E HN -0.190 nan 8.360 nan 0.000 0.462 367 S N 1.274 117.024 115.700 0.084 0.000 2.955 367 S HA 0.351 4.821 4.470 -0.000 0.000 0.294 367 S C -1.463 173.249 174.600 0.187 0.000 1.198 367 S CA -0.588 57.671 58.200 0.098 0.000 1.008 367 S CB -0.547 62.692 63.200 0.066 0.000 1.279 367 S HN 0.395 nan 8.310 nan 0.000 0.508 368 F N 6.514 126.457 119.950 -0.012 0.000 2.553 368 F HA 0.603 5.130 4.527 -0.000 0.000 0.335 368 F C -1.178 174.606 175.800 -0.026 0.000 1.148 368 F CA -1.851 56.144 58.000 -0.009 0.000 0.963 368 F CB 0.755 39.754 39.000 -0.001 0.000 1.217 368 F HN 0.343 nan 8.300 nan 0.000 0.441 369 I N 5.747 126.313 120.570 -0.006 0.000 2.465 369 I HA 0.422 4.592 4.170 -0.000 0.000 0.291 369 I C -0.802 175.163 176.117 -0.253 0.000 1.014 369 I CA -0.659 60.523 61.300 -0.197 0.000 1.093 369 I CB 2.221 40.173 38.000 -0.080 0.000 1.267 369 I HN 0.482 nan 8.210 nan 0.000 0.431 370 Q N 5.856 125.456 119.800 -0.334 0.000 2.394 370 Q HA 0.721 5.061 4.340 -0.000 0.000 0.273 370 Q C -1.464 174.388 176.000 -0.246 0.000 1.089 370 Q CA -0.869 54.780 55.803 -0.257 0.000 0.812 370 Q CB 3.473 32.044 28.738 -0.278 0.000 1.353 370 Q HN 0.475 nan 8.270 nan 0.000 0.438 371 L N 2.697 123.779 121.223 -0.236 0.000 2.381 371 L HA 0.660 5.000 4.340 -0.000 0.000 0.268 371 L C -0.847 175.783 176.870 -0.400 0.000 0.997 371 L CA -0.813 53.844 54.840 -0.305 0.000 0.818 371 L CB 1.767 43.702 42.059 -0.207 0.000 1.310 371 L HN 0.561 nan 8.230 nan 0.000 0.416 372 I N 1.071 121.241 120.570 -0.666 0.000 2.533 372 I HA 0.281 4.451 4.170 -0.000 0.000 0.290 372 I C -0.242 175.530 176.117 -0.576 0.000 1.056 372 I CA -0.354 60.531 61.300 -0.692 0.000 1.057 372 I CB 2.718 40.129 38.000 -0.983 0.000 1.240 372 I HN 0.516 nan 8.210 nan 0.000 0.423 373 T N 7.219 121.625 114.554 -0.248 0.000 2.771 373 T HA 0.322 4.672 4.350 -0.000 0.000 0.291 373 T C -2.206 172.574 174.700 0.133 0.000 0.954 373 T CA -0.949 61.124 62.100 -0.044 0.000 1.045 373 T CB 0.896 69.770 68.868 0.011 0.000 0.917 373 T HN 0.384 nan 8.240 nan 0.000 0.484 374 P HA 0.372 nan 4.420 nan 0.000 0.277 374 P C -0.967 176.508 177.300 0.293 0.000 1.271 374 P CA -0.493 62.847 63.100 0.400 0.000 0.795 374 P CB 0.802 32.768 31.700 0.443 0.000 1.101 375 V N 1.105 121.191 119.914 0.288 0.000 2.459 375 V HA 0.341 4.460 4.120 -0.000 0.000 0.295 375 V C 0.864 177.054 176.094 0.158 0.000 1.029 375 V CA -0.784 61.634 62.300 0.197 0.000 0.874 375 V CB 1.246 33.170 31.823 0.169 0.000 0.985 375 V HN 0.519 nan 8.190 nan 0.000 0.438 376 R N 2.508 123.082 120.500 0.124 0.000 2.438 376 R HA 0.488 4.828 4.340 -0.000 0.000 0.287 376 R C -0.166 176.179 176.300 0.075 0.000 1.077 376 R CA 0.098 56.257 56.100 0.097 0.000 1.034 376 R CB 0.843 31.192 30.300 0.082 0.000 0.993 376 R HN 0.851 nan 8.270 nan 0.000 0.459 377 T N 0.000 114.591 114.554 0.061 0.000 3.816 377 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 377 T CA 0.000 62.125 62.100 0.041 0.000 1.349 377 T CB 0.000 68.888 68.868 0.033 0.000 0.612 377 T HN 0.000 nan 8.240 nan 0.000 0.658