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 3fxo_1_A DATA FIRST_RESID 2 DATA SEQUENCE GAFLDKPKME KHNAQGQGNG LRYGLSSMQG WRVEMEDAHT AVIGLPSGLE DATA SEQUENCE SWSFFAVYDG HAGSQVAKYC CEHLLDHITN NQDFKGSAGA PSVENVKNGI DATA SEQUENCE RTGFLEIDEH MRVMSEKKHG ADRSGSTAVG VLISPQHTYF INCGDSRGLL DATA SEQUENCE CRNRKVHFFT QDHKPSNPLE KERIQNAGGS VMIQRVNGSL AVSRALGDFD DATA SEQUENCE YKCVHGKGPT EQLVSPEPEV HDIERSEEDD QFIILACDGI WDVMGNEELC DATA SEQUENCE DFVRSRLEVT DDLEKVCNEV VDTCLYKGSR DNMSVILICF PNAPKVSPEA DATA SEQUENCE VKKEAELDKY LECRVEEIIK XXXXGVPDLV HVMRTLASEN IPSLPPGGEL DATA SEQUENCE ASKRNVIEAV YNRLNPY 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.964 3.960 0.006 0.000 0.244 2 G C 0.000 174.833 174.900 -0.111 0.000 0.946 2 G CA 0.000 45.048 45.100 -0.086 0.000 0.502 3 A N -0.192 122.539 122.820 -0.147 0.000 2.572 3 A HA 0.815 5.139 4.320 0.006 0.000 0.295 3 A C -1.806 175.692 177.584 -0.144 0.000 1.072 3 A CA -0.605 51.371 52.037 -0.102 0.000 0.691 3 A CB 1.428 20.430 19.000 0.004 0.000 1.291 3 A HN 0.246 nan 8.150 nan 0.000 0.404 4 F N 0.702 120.706 119.950 0.090 0.000 2.432 4 F HA 0.595 5.125 4.527 0.006 0.000 0.329 4 F C 0.453 176.356 175.800 0.172 0.000 1.076 4 F CA -0.766 57.325 58.000 0.151 0.000 1.018 4 F CB 1.182 40.276 39.000 0.157 0.000 1.201 4 F HN 0.386 nan 8.300 nan 0.000 0.489 5 L N 1.932 123.421 121.223 0.443 0.000 2.476 5 L HA 0.035 4.379 4.340 0.006 0.000 0.264 5 L C 1.389 178.455 176.870 0.326 0.000 1.224 5 L CA 0.502 55.509 54.840 0.279 0.000 0.821 5 L CB 0.126 42.279 42.059 0.157 0.000 1.101 5 L HN 0.552 nan 8.230 nan 0.000 0.488 6 D N 0.596 121.112 120.400 0.194 0.000 2.144 6 D HA -0.037 4.607 4.640 0.006 0.000 0.200 6 D C 0.185 176.583 176.300 0.163 0.000 0.978 6 D CA 1.433 55.550 54.000 0.195 0.000 0.833 6 D CB 0.316 41.183 40.800 0.111 0.000 0.961 6 D HN 0.397 nan 8.370 nan 0.000 0.470 7 K N 0.113 120.476 120.400 -0.062 0.000 2.469 7 K HA 0.364 4.688 4.320 0.006 0.000 0.254 7 K C -2.646 173.614 176.600 -0.567 0.000 0.939 7 K CA -1.719 54.350 56.287 -0.363 0.000 0.812 7 K CB 3.052 35.444 32.500 -0.180 0.000 1.301 7 K HN -0.169 nan 8.250 nan 0.000 0.433 8 P HA 0.067 nan 4.420 nan 0.000 0.275 8 P C -1.136 175.944 177.300 -0.366 0.000 1.227 8 P CA -0.258 62.345 63.100 -0.827 0.000 0.781 8 P CB 0.608 31.623 31.700 -1.140 0.000 0.906 9 K N 3.674 123.947 120.400 -0.211 0.000 2.262 9 K HA 0.146 4.470 4.320 0.006 0.000 0.288 9 K C 1.326 177.872 176.600 -0.091 0.000 1.090 9 K CA -0.165 56.060 56.287 -0.104 0.000 0.918 9 K CB 0.298 32.779 32.500 -0.033 0.000 1.139 9 K HN 0.483 nan 8.250 nan 0.000 0.462 10 M N 0.893 120.438 119.600 -0.091 0.000 2.494 10 M HA 0.142 4.625 4.480 0.006 0.000 0.232 10 M C 0.084 176.363 176.300 -0.035 0.000 1.137 10 M CA 0.540 55.795 55.300 -0.074 0.000 1.012 10 M CB -0.304 32.251 32.600 -0.075 0.000 1.567 10 M HN 0.331 nan 8.290 nan 0.000 0.486 11 E N 2.985 123.176 120.200 -0.014 0.000 2.384 11 E HA 0.091 4.445 4.350 0.006 0.000 0.266 11 E C -0.667 175.941 176.600 0.013 0.000 1.012 11 E CA 0.126 56.518 56.400 -0.014 0.000 0.901 11 E CB 0.784 30.480 29.700 -0.007 0.000 0.967 11 E HN 0.136 nan 8.360 nan 0.000 0.435 12 K N 3.134 123.505 120.400 -0.047 0.000 2.156 12 K HA 0.306 4.630 4.320 0.006 0.000 0.271 12 K C -0.973 175.562 176.600 -0.109 0.000 0.995 12 K CA -0.622 55.656 56.287 -0.016 0.000 0.890 12 K CB 1.057 33.538 32.500 -0.031 0.000 1.073 12 K HN 0.452 nan 8.250 nan 0.000 0.454 13 H N 0.922 120.006 119.070 0.023 0.000 2.511 13 H HA 0.393 4.953 4.556 0.006 0.000 0.328 13 H C -0.183 175.165 175.328 0.033 0.000 1.044 13 H CA -0.354 55.721 56.048 0.045 0.000 1.212 13 H CB 0.930 30.744 29.762 0.086 0.000 1.428 13 H HN 0.399 nan 8.280 nan 0.000 0.483 14 N N 1.277 120.032 118.700 0.092 0.000 2.381 14 N HA 0.785 5.529 4.740 0.006 0.000 0.294 14 N C -1.011 174.536 175.510 0.062 0.000 1.216 14 N CA -0.763 52.311 53.050 0.041 0.000 0.803 14 N CB 2.757 41.239 38.487 -0.008 0.000 1.372 14 N HN 0.606 nan 8.380 nan 0.000 0.500 15 A N 0.283 123.128 122.820 0.042 0.000 2.606 15 A HA 0.622 4.946 4.320 0.006 0.000 0.293 15 A C -1.565 175.989 177.584 -0.050 0.000 1.082 15 A CA -0.611 51.466 52.037 0.067 0.000 0.685 15 A CB 2.041 21.163 19.000 0.204 0.000 1.284 15 A HN 0.692 nan 8.150 nan 0.000 0.408 16 Q N 0.145 119.818 119.800 -0.213 0.000 2.534 16 Q HA 0.764 5.108 4.340 0.006 0.000 0.290 16 Q C -0.429 175.103 176.000 -0.780 0.000 0.991 16 Q CA -0.612 54.812 55.803 -0.632 0.000 0.783 16 Q CB 1.895 30.422 28.738 -0.351 0.000 1.470 16 Q HN 2.005 nan 8.270 nan 0.000 0.406 17 G N 0.203 108.352 108.800 -1.086 0.000 2.506 17 G HA2 0.469 4.433 3.960 0.006 0.000 0.292 17 G HA3 0.469 4.433 3.960 0.006 0.000 0.292 17 G C -2.099 172.714 174.900 -0.145 0.000 1.425 17 G CA -0.483 44.374 45.100 -0.406 0.000 0.788 17 G HN 0.499 nan 8.290 nan 0.000 0.490 18 Q N -0.868 118.965 119.800 0.054 0.000 2.320 18 Q HA 0.590 4.933 4.340 0.006 0.000 0.272 18 Q C -0.744 175.323 176.000 0.110 0.000 1.023 18 Q CA -0.350 55.495 55.803 0.070 0.000 0.855 18 Q CB 2.529 31.274 28.738 0.012 0.000 1.367 18 Q HN 1.910 nan 8.270 nan 0.000 0.406 19 G N 1.953 110.822 108.800 0.116 0.000 2.368 19 G HA2 0.108 4.071 3.960 0.006 0.000 0.303 19 G HA3 0.108 4.071 3.960 0.006 0.000 0.303 19 G C -0.929 174.039 174.900 0.114 0.000 1.590 19 G CA -0.619 44.547 45.100 0.109 0.000 0.938 19 G HN 0.656 nan 8.290 nan 0.000 0.675 20 N N -0.776 117.982 118.700 0.097 0.000 2.721 20 N HA -0.187 4.556 4.740 0.006 0.000 0.249 20 N C 1.675 177.238 175.510 0.089 0.000 1.072 20 N CA 2.782 55.888 53.050 0.092 0.000 0.710 20 N CB -1.096 37.455 38.487 0.106 0.000 0.993 20 N HN 2.541 nan 8.380 nan 0.000 0.547 21 G N -1.691 107.156 108.800 0.078 0.000 2.189 21 G HA2 -0.335 3.629 3.960 0.006 0.000 0.267 21 G HA3 -0.335 3.629 3.960 0.006 0.000 0.267 21 G C 0.088 175.030 174.900 0.071 0.000 0.975 21 G CA 0.834 45.980 45.100 0.077 0.000 0.644 21 G HN 0.471 nan 8.290 nan 0.000 0.537 22 L N -0.511 120.749 121.223 0.062 0.000 2.344 22 L HA 0.769 5.113 4.340 0.006 0.000 0.272 22 L C 0.785 177.676 176.870 0.036 0.000 1.035 22 L CA -1.040 53.806 54.840 0.009 0.000 0.807 22 L CB 1.484 43.558 42.059 0.025 0.000 1.237 22 L HN 0.083 nan 8.230 nan 0.000 0.442 23 R N 1.453 121.943 120.500 -0.017 0.000 2.686 23 R HA 0.556 4.900 4.340 0.006 0.000 0.286 23 R C -1.662 174.629 176.300 -0.016 0.000 0.969 23 R CA -0.801 55.291 56.100 -0.013 0.000 0.898 23 R CB 2.354 32.624 30.300 -0.049 0.000 1.183 23 R HN 0.542 nan 8.270 nan 0.000 0.456 24 Y N -1.464 118.772 120.300 -0.107 0.000 2.524 24 Y HA 0.837 5.390 4.550 0.006 0.000 0.347 24 Y C -0.694 175.143 175.900 -0.105 0.000 1.005 24 Y CA -1.145 56.848 58.100 -0.178 0.000 1.025 24 Y CB 1.977 40.273 38.460 -0.272 0.000 1.275 24 Y HN 0.663 nan 8.280 nan 0.000 0.460 25 G N 2.410 111.179 108.800 -0.051 0.000 2.574 25 G HA2 0.698 4.662 3.960 0.006 0.000 0.299 25 G HA3 0.698 4.662 3.960 0.006 0.000 0.299 25 G C -2.045 172.875 174.900 0.035 0.000 1.298 25 G CA -1.064 43.989 45.100 -0.079 0.000 0.952 25 G HN 1.123 nan 8.290 nan 0.000 0.477 26 L N -1.320 119.909 121.223 0.010 0.000 2.415 26 L HA 0.968 5.311 4.340 0.006 0.000 0.256 26 L C -0.455 176.377 176.870 -0.063 0.000 1.010 26 L CA -1.135 53.681 54.840 -0.040 0.000 0.826 26 L CB 2.020 44.026 42.059 -0.089 0.000 1.405 26 L HN 0.587 nan 8.230 nan 0.000 0.410 27 S N 0.222 115.880 115.700 -0.072 0.000 2.572 27 S HA 0.868 5.342 4.470 0.006 0.000 0.274 27 S C -1.157 173.437 174.600 -0.010 0.000 1.150 27 S CA 0.115 58.296 58.200 -0.032 0.000 0.944 27 S CB 1.239 64.420 63.200 -0.032 0.000 1.071 27 S HN 1.396 nan 8.310 nan 0.000 0.479 28 S N 4.497 120.230 115.700 0.055 0.000 2.536 28 S HA 0.842 5.316 4.470 0.006 0.000 0.287 28 S C -0.748 173.918 174.600 0.111 0.000 1.101 28 S CA -0.756 57.498 58.200 0.090 0.000 0.950 28 S CB 1.670 64.963 63.200 0.155 0.000 1.056 28 S HN 0.824 nan 8.310 nan 0.000 0.481 29 M N 2.371 122.016 119.600 0.074 0.000 2.433 29 M HA 0.350 4.834 4.480 0.006 0.000 0.290 29 M C 0.435 176.767 176.300 0.053 0.000 1.173 29 M CA -0.529 54.810 55.300 0.065 0.000 0.905 29 M CB 2.287 34.895 32.600 0.012 0.000 1.692 29 M HN 1.011 nan 8.290 nan 0.000 0.462 30 Q N 2.740 122.571 119.800 0.051 0.000 2.083 30 Q HA 0.191 4.535 4.340 0.006 0.000 0.198 30 Q C 0.849 176.882 176.000 0.056 0.000 0.969 30 Q CA 1.872 57.704 55.803 0.049 0.000 0.838 30 Q CB 0.116 28.879 28.738 0.042 0.000 0.900 30 Q HN 1.066 nan 8.270 nan 0.000 0.436 31 G N -0.420 108.385 108.800 0.009 0.000 2.528 31 G HA2 -0.349 3.615 3.960 0.006 0.000 0.262 31 G HA3 -0.349 3.615 3.960 0.006 0.000 0.262 31 G C -0.083 174.813 174.900 -0.007 0.000 1.200 31 G CA 0.130 45.222 45.100 -0.013 0.000 0.951 31 G HN 0.532 nan 8.290 nan 0.000 0.566 32 W N 1.800 123.153 121.300 0.087 0.000 2.595 32 W HA 0.260 4.924 4.660 0.006 0.000 0.257 32 W C 1.852 178.549 176.519 0.296 0.000 1.267 32 W CA 0.572 58.005 57.345 0.145 0.000 1.300 32 W CB 0.099 29.587 29.460 0.047 0.000 1.120 32 W HN 0.215 nan 8.180 nan 0.000 0.618 33 R N 0.639 121.391 120.500 0.419 0.000 2.490 33 R HA 0.058 4.402 4.340 0.006 0.000 0.280 33 R C 1.122 177.524 176.300 0.170 0.000 1.077 33 R CA -0.175 56.093 56.100 0.280 0.000 1.065 33 R CB 0.652 31.057 30.300 0.175 0.000 1.003 33 R HN -0.050 nan 8.270 nan 0.000 0.470 34 V N 1.651 121.636 119.914 0.118 0.000 2.469 34 V HA -0.197 3.927 4.120 0.006 0.000 0.251 34 V C 0.946 177.073 176.094 0.056 0.000 1.064 34 V CA 1.906 64.254 62.300 0.080 0.000 1.066 34 V CB -0.231 31.622 31.823 0.050 0.000 0.667 34 V HN 0.590 nan 8.190 nan 0.000 0.461 35 E N -1.219 119.010 120.200 0.049 0.000 2.339 35 E HA 0.475 4.829 4.350 0.006 0.000 0.262 35 E C -0.879 175.745 176.600 0.040 0.000 0.934 35 E CA -1.035 55.387 56.400 0.036 0.000 0.802 35 E CB 1.941 31.656 29.700 0.026 0.000 1.275 35 E HN 0.063 nan 8.360 nan 0.000 0.427 36 M N 1.708 121.323 119.600 0.024 0.000 2.044 36 M HA 0.188 4.672 4.480 0.006 0.000 0.333 36 M C -0.339 175.970 176.300 0.015 0.000 1.004 36 M CA 0.168 55.480 55.300 0.020 0.000 0.954 36 M CB 0.420 33.016 32.600 -0.008 0.000 1.468 36 M HN 0.418 nan 8.290 nan 0.000 0.414 37 E N 1.295 121.515 120.200 0.035 0.000 2.538 37 E HA 0.133 4.486 4.350 0.006 0.000 0.207 37 E C -0.662 175.969 176.600 0.050 0.000 1.002 37 E CA -0.137 56.282 56.400 0.032 0.000 0.952 37 E CB 0.611 30.335 29.700 0.040 0.000 1.031 37 E HN 0.631 nan 8.360 nan 0.000 0.476 38 D N 1.144 121.585 120.400 0.068 0.000 2.304 38 D HA 0.414 5.058 4.640 0.006 0.000 0.247 38 D C -0.305 176.050 176.300 0.092 0.000 1.089 38 D CA 0.124 54.189 54.000 0.108 0.000 0.910 38 D CB 1.467 42.343 40.800 0.126 0.000 1.199 38 D HN 0.096 nan 8.370 nan 0.000 0.426 39 A N 1.704 124.619 122.820 0.159 0.000 2.530 39 A HA 0.798 5.122 4.320 0.006 0.000 0.288 39 A C -1.120 176.665 177.584 0.335 0.000 1.172 39 A CA -0.709 51.382 52.037 0.090 0.000 0.733 39 A CB 1.736 20.716 19.000 -0.033 0.000 1.320 39 A HN 0.798 nan 8.150 nan 0.000 0.419 40 H N -1.462 117.798 119.070 0.317 0.000 3.014 40 H HA 0.755 5.314 4.556 0.006 0.000 0.337 40 H C -1.679 173.822 175.328 0.288 0.000 1.320 40 H CA -0.588 55.653 56.048 0.321 0.000 1.128 40 H CB 1.240 31.092 29.762 0.150 0.000 1.862 40 H HN 0.530 nan 8.280 nan 0.000 0.536 41 T N 0.839 115.636 114.554 0.405 0.000 2.900 41 T HA 0.733 5.087 4.350 0.006 0.000 0.295 41 T C -0.802 173.939 174.700 0.068 0.000 1.044 41 T CA -0.422 61.816 62.100 0.231 0.000 0.995 41 T CB 1.630 70.663 68.868 0.275 0.000 1.072 41 T HN 0.853 nan 8.240 nan 0.000 0.473 42 A N 1.763 124.563 122.820 -0.033 0.000 2.466 42 A HA 0.731 5.055 4.320 0.006 0.000 0.284 42 A C -1.307 176.045 177.584 -0.388 0.000 1.049 42 A CA -0.697 51.133 52.037 -0.346 0.000 0.760 42 A CB 1.316 20.183 19.000 -0.221 0.000 1.274 42 A HN 0.902 nan 8.150 nan 0.000 0.412 43 V N 4.614 124.135 119.914 -0.654 0.000 2.655 43 V HA 0.590 4.714 4.120 0.006 0.000 0.301 43 V C -1.504 174.381 176.094 -0.350 0.000 1.082 43 V CA -0.456 61.656 62.300 -0.313 0.000 0.899 43 V CB 1.345 33.097 31.823 -0.119 0.000 1.014 43 V HN 0.750 nan 8.190 nan 0.000 0.429 44 I N 6.936 127.438 120.570 -0.113 0.000 2.312 44 I HA 0.745 4.919 4.170 0.006 0.000 0.290 44 I C 0.718 176.871 176.117 0.060 0.000 1.008 44 I CA 0.221 61.532 61.300 0.018 0.000 1.226 44 I CB 1.396 39.494 38.000 0.164 0.000 1.371 44 I HN 1.060 nan 8.210 nan 0.000 0.468 45 G N 6.768 115.622 108.800 0.089 0.000 3.439 45 G HA2 -0.120 3.843 3.960 0.006 0.000 0.684 45 G HA3 -0.120 3.843 3.960 0.006 0.000 0.684 45 G C -1.056 173.885 174.900 0.068 0.000 1.005 45 G CA -0.961 44.200 45.100 0.103 0.000 0.837 45 G HN 0.495 nan 8.290 nan 0.000 0.470 46 L N 4.347 125.620 121.223 0.084 0.000 2.334 46 L HA 0.625 4.969 4.340 0.006 0.000 0.273 46 L C -1.452 175.405 176.870 -0.021 0.000 1.013 46 L CA -2.410 52.436 54.840 0.009 0.000 0.816 46 L CB 1.955 44.004 42.059 -0.017 0.000 1.278 46 L HN 0.361 nan 8.230 nan 0.000 0.431 47 P HA -0.029 nan 4.420 nan 0.000 0.270 47 P C -0.156 177.096 177.300 -0.080 0.000 1.221 47 P CA 0.106 63.168 63.100 -0.063 0.000 0.788 47 P CB 0.478 32.129 31.700 -0.082 0.000 0.904 48 S N -0.456 115.207 115.700 -0.061 0.000 3.697 48 S HA -0.060 4.414 4.470 0.006 0.000 0.388 48 S C 0.986 175.546 174.600 -0.067 0.000 0.941 48 S CA 0.849 59.010 58.200 -0.065 0.000 1.247 48 S CB -2.447 60.702 63.200 -0.086 0.000 0.904 48 S HN 1.195 nan 8.310 nan 0.000 0.518 49 G N -0.247 108.533 108.800 -0.034 0.000 2.198 49 G HA2 -0.290 3.674 3.960 0.006 0.000 0.260 49 G HA3 -0.290 3.674 3.960 0.006 0.000 0.260 49 G C 0.111 174.994 174.900 -0.028 0.000 1.025 49 G CA 0.406 45.498 45.100 -0.013 0.000 0.769 49 G HN 0.937 nan 8.290 nan 0.000 0.507 50 L N -0.251 120.950 121.223 -0.036 0.000 3.218 50 L HA 0.329 4.673 4.340 0.006 0.000 0.279 50 L C 1.762 178.765 176.870 0.221 0.000 1.287 50 L CA -0.051 54.784 54.840 -0.008 0.000 1.024 50 L CB 0.518 42.376 42.059 -0.334 0.000 1.409 50 L HN 0.317 nan 8.230 nan 0.000 0.580 51 E N 1.319 121.628 120.200 0.182 0.000 2.171 51 E HA -0.237 4.116 4.350 0.006 0.000 0.197 51 E C 1.833 178.568 176.600 0.224 0.000 0.997 51 E CA 1.837 58.337 56.400 0.166 0.000 0.810 51 E CB 0.327 30.098 29.700 0.119 0.000 0.738 51 E HN 0.560 nan 8.360 nan 0.000 0.467 52 S N -1.028 114.860 115.700 0.313 0.000 2.593 52 S HA 0.011 4.485 4.470 0.006 0.000 0.217 52 S C 0.600 175.358 174.600 0.263 0.000 0.966 52 S CA -0.570 57.779 58.200 0.250 0.000 0.914 52 S CB -0.207 63.103 63.200 0.184 0.000 0.776 52 S HN 0.220 nan 8.310 nan 0.000 0.523 53 W N 1.788 123.152 121.300 0.107 0.000 2.303 53 W HA 0.572 5.234 4.660 0.004 0.000 0.334 53 W C -0.131 176.447 176.519 0.099 0.000 1.197 53 W CA -0.667 56.757 57.345 0.131 0.000 1.262 53 W CB 1.690 31.234 29.460 0.140 0.000 1.153 53 W HN 0.162 nan 8.180 nan 0.000 0.596 54 S N 1.360 117.247 115.700 0.311 0.000 2.634 54 S HA 0.675 5.149 4.470 0.006 0.000 0.296 54 S C -1.672 173.030 174.600 0.170 0.000 1.104 54 S CA -0.559 57.727 58.200 0.143 0.000 0.920 54 S CB 2.450 65.731 63.200 0.134 0.000 1.111 54 S HN 0.277 nan 8.310 nan 0.000 0.493 55 F N 1.731 121.446 119.950 -0.392 0.000 2.588 55 F HA 0.706 5.237 4.527 0.006 0.000 0.318 55 F C -2.288 173.088 175.800 -0.705 0.000 1.155 55 F CA -1.060 56.754 58.000 -0.310 0.000 0.967 55 F CB 0.842 39.759 39.000 -0.139 0.000 1.236 55 F HN 0.526 nan 8.300 nan 0.000 0.455 56 F N 4.168 123.684 119.950 -0.724 0.000 2.565 56 F HA 0.878 5.408 4.527 0.006 0.000 0.313 56 F C -0.292 175.024 175.800 -0.806 0.000 1.091 56 F CA -0.825 56.794 58.000 -0.634 0.000 0.915 56 F CB 2.237 41.003 39.000 -0.390 0.000 1.208 56 F HN 0.685 nan 8.300 nan 0.000 0.453 57 A N 1.538 124.125 122.820 -0.388 0.000 2.589 57 A HA 0.793 5.116 4.320 0.006 0.000 0.296 57 A C -2.047 175.329 177.584 -0.348 0.000 1.062 57 A CA -0.719 51.061 52.037 -0.429 0.000 0.686 57 A CB 1.383 20.025 19.000 -0.597 0.000 1.282 57 A HN 0.501 nan 8.150 nan 0.000 0.404 58 V N 1.681 121.376 119.914 -0.366 0.000 2.513 58 V HA 0.579 4.703 4.120 0.006 0.000 0.299 58 V C -1.365 174.493 176.094 -0.393 0.000 1.035 58 V CA -0.349 61.831 62.300 -0.201 0.000 0.889 58 V CB 1.347 33.179 31.823 0.016 0.000 0.988 58 V HN 0.748 nan 8.190 nan 0.000 0.440 59 Y N 1.687 122.065 120.300 0.129 0.000 2.326 59 Y HA 0.465 5.019 4.550 0.006 0.000 0.331 59 Y C -0.144 175.814 175.900 0.096 0.000 0.962 59 Y CA -0.977 57.186 58.100 0.106 0.000 1.167 59 Y CB 1.516 40.013 38.460 0.061 0.000 1.148 59 Y HN 0.557 nan 8.280 nan 0.000 0.463 60 D N 3.012 123.548 120.400 0.227 0.000 2.467 60 D HA 0.277 4.921 4.640 0.006 0.000 0.220 60 D C 0.205 176.596 176.300 0.152 0.000 1.103 60 D CA -0.118 53.992 54.000 0.183 0.000 0.886 60 D CB 0.773 41.685 40.800 0.186 0.000 1.025 60 D HN 0.787 nan 8.370 nan 0.000 0.514 61 G N 2.473 111.328 108.800 0.092 0.000 2.467 61 G HA2 0.482 4.446 3.960 0.006 0.000 0.257 61 G HA3 0.482 4.446 3.960 0.006 0.000 0.257 61 G C -0.552 174.359 174.900 0.018 0.000 1.227 61 G CA -0.404 44.682 45.100 -0.023 0.000 0.835 61 G HN 0.715 nan 8.290 nan 0.000 0.556 62 H N -1.574 117.511 119.070 0.024 0.000 2.895 62 H HA 0.630 5.190 4.556 0.006 0.000 0.373 62 H C 0.333 175.664 175.328 0.004 0.000 1.174 62 H CA -0.656 55.400 56.048 0.012 0.000 1.144 62 H CB 1.481 31.246 29.762 0.005 0.000 1.793 62 H HN 1.307 nan 8.280 nan 0.000 0.551 63 A N 0.766 123.677 122.820 0.152 0.000 2.783 63 A HA 0.221 4.545 4.320 0.006 0.000 0.292 63 A C 1.077 178.682 177.584 0.035 0.000 1.495 63 A CA 1.534 53.624 52.037 0.089 0.000 0.787 63 A CB -2.203 16.869 19.000 0.120 0.000 1.017 63 A HN 2.447 nan 8.150 nan 0.000 0.516 64 G N -3.150 105.662 108.800 0.019 0.000 2.381 64 G HA2 0.444 4.408 3.960 0.006 0.000 0.672 64 G HA3 0.444 4.408 3.960 0.006 0.000 0.672 64 G C 0.376 175.263 174.900 -0.022 0.000 1.324 64 G CA 0.472 45.571 45.100 -0.001 0.000 0.975 64 G HN 1.925 nan 8.290 nan 0.000 0.593 65 S N -1.257 114.431 115.700 -0.020 0.000 2.559 65 S HA 0.163 4.636 4.470 0.006 0.000 0.226 65 S C 1.674 176.253 174.600 -0.035 0.000 1.000 65 S CA 0.967 59.150 58.200 -0.028 0.000 0.948 65 S CB 0.641 63.830 63.200 -0.019 0.000 0.870 65 S HN 0.647 nan 8.310 nan 0.000 0.497 66 Q N 1.791 121.573 119.800 -0.029 0.000 2.045 66 Q HA -0.060 4.284 4.340 0.006 0.000 0.206 66 Q C 2.141 178.132 176.000 -0.015 0.000 0.991 66 Q CA 2.243 58.035 55.803 -0.018 0.000 0.851 66 Q CB -0.738 27.990 28.738 -0.018 0.000 0.911 66 Q HN 0.467 nan 8.270 nan 0.000 0.418 67 V N 0.548 120.432 119.914 -0.051 0.000 2.295 67 V HA -0.303 3.821 4.120 0.006 0.000 0.246 67 V C 2.158 178.214 176.094 -0.063 0.000 1.049 67 V CA 1.806 64.071 62.300 -0.057 0.000 1.024 67 V CB -1.153 30.590 31.823 -0.134 0.000 0.648 67 V HN 0.479 nan 8.190 nan 0.000 0.447 68 A N -0.404 122.363 122.820 -0.088 0.000 1.883 68 A HA -0.246 4.078 4.320 0.006 0.000 0.217 68 A C 2.315 179.758 177.584 -0.235 0.000 1.186 68 A CA 2.009 53.974 52.037 -0.120 0.000 0.624 68 A CB -0.470 18.517 19.000 -0.021 0.000 0.822 68 A HN 0.511 nan 8.150 nan 0.000 0.444 69 K N -1.881 118.440 120.400 -0.131 0.000 2.057 69 K HA -0.170 4.154 4.320 0.006 0.000 0.207 69 K C 1.984 178.514 176.600 -0.118 0.000 1.049 69 K CA 1.717 57.925 56.287 -0.132 0.000 0.931 69 K CB -0.378 32.085 32.500 -0.061 0.000 0.714 69 K HN 0.632 nan 8.250 nan 0.000 0.440 70 Y N 1.209 121.426 120.300 -0.140 0.000 2.200 70 Y HA -0.280 4.274 4.550 0.007 0.000 0.290 70 Y C 2.366 178.197 175.900 -0.115 0.000 1.137 70 Y CA 1.103 59.166 58.100 -0.061 0.000 1.163 70 Y CB -0.364 38.058 38.460 -0.064 0.000 0.988 70 Y HN 0.053 nan 8.280 nan 0.000 0.518 71 C N -0.163 118.998 119.300 -0.232 0.000 2.432 71 C HA -0.235 4.229 4.460 0.006 0.000 0.277 71 C C 3.170 177.765 174.990 -0.657 0.000 1.249 71 C CA 1.228 59.986 59.018 -0.433 0.000 1.725 71 C CB -1.846 25.611 27.740 -0.472 0.000 2.028 71 C HN 0.879 nan 8.230 nan 0.000 0.477 72 C N 0.508 119.270 119.300 -0.895 0.000 2.422 72 C HA -0.054 4.410 4.460 0.006 0.000 0.286 72 C C 2.113 176.918 174.990 -0.309 0.000 1.412 72 C CA 1.149 59.788 59.018 -0.632 0.000 1.786 72 C CB -1.499 25.968 27.740 -0.455 0.000 1.835 72 C HN 0.663 nan 8.230 nan 0.000 0.533 73 E N -1.271 118.678 120.200 -0.419 0.000 2.431 73 E HA 0.072 4.426 4.350 0.006 0.000 0.200 73 E C 0.970 177.101 176.600 -0.781 0.000 0.995 73 E CA 0.480 56.545 56.400 -0.559 0.000 0.915 73 E CB 0.140 29.449 29.700 -0.653 0.000 0.930 73 E HN 0.875 nan 8.360 nan 0.000 0.496 74 H N -1.503 117.347 119.070 -0.367 0.000 3.535 74 H HA 0.089 4.649 4.556 0.006 0.000 0.260 74 H C 1.297 176.557 175.328 -0.114 0.000 1.173 74 H CA -0.208 55.666 56.048 -0.290 0.000 1.168 74 H CB 0.727 30.142 29.762 -0.579 0.000 1.568 74 H HN -0.034 nan 8.280 nan 0.000 0.602 75 L N 0.894 122.060 121.223 -0.094 0.000 2.046 75 L HA -0.113 4.231 4.340 0.006 0.000 0.208 75 L C 1.844 178.638 176.870 -0.127 0.000 1.077 75 L CA 1.459 56.240 54.840 -0.097 0.000 0.747 75 L CB -0.542 41.484 42.059 -0.055 0.000 0.896 75 L HN 0.380 nan 8.230 nan 0.000 0.432 76 L N -0.220 120.875 121.223 -0.214 0.000 2.012 76 L HA -0.256 4.087 4.340 0.006 0.000 0.210 76 L C 2.075 178.728 176.870 -0.360 0.000 1.073 76 L CA 2.397 56.950 54.840 -0.478 0.000 0.748 76 L CB -0.627 41.145 42.059 -0.477 0.000 0.891 76 L HN 0.569 nan 8.230 nan 0.000 0.431 77 D N -3.123 117.151 120.400 -0.210 0.000 2.234 77 D HA -0.203 4.441 4.640 0.006 0.000 0.205 77 D C 1.816 177.983 176.300 -0.221 0.000 0.962 77 D CA 0.884 54.751 54.000 -0.220 0.000 0.855 77 D CB -0.362 40.338 40.800 -0.166 0.000 0.951 77 D HN 0.357 nan 8.370 nan 0.000 0.500 78 H N -0.131 118.845 119.070 -0.156 0.000 2.387 78 H HA 0.074 4.634 4.556 0.006 0.000 0.299 78 H C 1.895 177.130 175.328 -0.154 0.000 1.090 78 H CA 1.205 57.182 56.048 -0.119 0.000 1.332 78 H CB -0.077 29.649 29.762 -0.060 0.000 1.386 78 H HN 0.168 nan 8.280 nan 0.000 0.516 79 I N -0.303 120.194 120.570 -0.122 0.000 2.193 79 I HA -0.223 3.951 4.170 0.006 0.000 0.240 79 I C 2.465 178.283 176.117 -0.497 0.000 1.084 79 I CA 1.742 62.913 61.300 -0.216 0.000 1.365 79 I CB -0.181 37.667 38.000 -0.253 0.000 1.064 79 I HN 0.429 nan 8.210 nan 0.000 0.410 80 T N -2.465 111.648 114.554 -0.736 0.000 3.014 80 T HA 0.047 4.401 4.350 0.006 0.000 0.263 80 T C 1.111 175.511 174.700 -0.500 0.000 1.078 80 T CA 0.456 61.871 62.100 -1.141 0.000 1.135 80 T CB -0.250 68.012 68.868 -1.010 0.000 0.895 80 T HN 0.074 nan 8.240 nan 0.000 0.480 81 N N 3.315 121.822 118.700 -0.322 0.000 2.575 81 N HA 0.246 4.990 4.740 0.006 0.000 0.275 81 N C -0.640 174.788 175.510 -0.137 0.000 1.202 81 N CA -0.261 52.669 53.050 -0.199 0.000 0.945 81 N CB -0.148 38.212 38.487 -0.211 0.000 1.247 81 N HN 0.838 nan 8.380 nan 0.000 0.510 82 N N -1.746 116.908 118.700 -0.077 0.000 2.380 82 N HA 0.132 4.876 4.740 0.006 0.000 0.290 82 N C 0.850 176.375 175.510 0.025 0.000 1.236 82 N CA -0.797 52.239 53.050 -0.023 0.000 0.780 82 N CB 0.983 39.470 38.487 0.000 0.000 1.438 82 N HN -0.034 nan 8.380 nan 0.000 0.491 83 Q N -0.638 119.170 119.800 0.014 0.000 2.224 83 Q HA -0.092 4.252 4.340 0.006 0.000 0.203 83 Q C 0.027 176.044 176.000 0.027 0.000 0.970 83 Q CA 1.130 56.942 55.803 0.015 0.000 0.865 83 Q CB -0.185 28.553 28.738 -0.000 0.000 0.922 83 Q HN 0.603 nan 8.270 nan 0.000 0.445 84 D N 0.591 121.017 120.400 0.043 0.000 2.117 84 D HA -0.120 4.524 4.640 0.006 0.000 0.198 84 D C 1.551 177.875 176.300 0.040 0.000 0.982 84 D CA 0.888 54.909 54.000 0.036 0.000 0.828 84 D CB -0.199 40.629 40.800 0.046 0.000 0.967 84 D HN 0.249 nan 8.370 nan 0.000 0.464 85 F N 1.717 121.628 119.950 -0.065 0.000 2.186 85 F HA -0.098 4.432 4.527 0.006 0.000 0.299 85 F C 1.980 177.720 175.800 -0.100 0.000 1.090 85 F CA 1.231 59.175 58.000 -0.094 0.000 1.307 85 F CB 0.217 39.149 39.000 -0.114 0.000 1.019 85 F HN -0.207 nan 8.300 nan 0.000 0.489 86 K N -0.139 120.312 120.400 0.084 0.000 2.393 86 K HA 0.134 4.458 4.320 0.006 0.000 0.193 86 K C 2.108 178.682 176.600 -0.044 0.000 1.026 86 K CA 0.381 56.674 56.287 0.010 0.000 1.064 86 K CB -0.370 32.153 32.500 0.039 0.000 0.833 86 K HN 0.368 nan 8.250 nan 0.000 0.521 87 G N 2.328 111.098 108.800 -0.050 0.000 3.026 87 G HA2 -0.391 3.573 3.960 0.006 0.000 0.247 87 G HA3 -0.391 3.573 3.960 0.006 0.000 0.247 87 G C 0.560 175.434 174.900 -0.044 0.000 1.106 87 G CA 1.478 46.550 45.100 -0.046 0.000 0.754 87 G HN 0.464 nan 8.290 nan 0.000 0.899 88 S N 0.510 116.176 115.700 -0.056 0.000 2.585 88 S HA 0.565 5.038 4.470 0.006 0.000 0.273 88 S C 1.492 176.069 174.600 -0.038 0.000 1.339 88 S CA 0.367 58.542 58.200 -0.041 0.000 1.028 88 S CB 1.616 64.792 63.200 -0.041 0.000 0.906 88 S HN 1.232 nan 8.310 nan 0.000 0.528 89 A N 3.405 126.211 122.820 -0.024 0.000 1.903 89 A HA 0.100 4.423 4.320 0.006 0.000 0.219 89 A C 1.571 179.144 177.584 -0.019 0.000 1.191 89 A CA 1.784 53.809 52.037 -0.019 0.000 0.638 89 A CB -1.640 17.353 19.000 -0.011 0.000 0.823 89 A HN 1.091 nan 8.150 nan 0.000 0.451 90 G N -1.616 107.176 108.800 -0.015 0.000 2.735 90 G HA2 0.469 4.433 3.960 0.006 0.000 0.192 90 G HA3 0.469 4.433 3.960 0.006 0.000 0.192 90 G C 0.507 175.398 174.900 -0.016 0.000 1.547 90 G CA 0.102 45.199 45.100 -0.005 0.000 1.080 90 G HN 1.018 nan 8.290 nan 0.000 0.569 91 A N 0.883 123.709 122.820 0.011 0.000 2.498 91 A HA 0.500 4.824 4.320 0.006 0.000 0.239 91 A C -1.674 175.887 177.584 -0.038 0.000 1.068 91 A CA -0.639 51.408 52.037 0.017 0.000 0.766 91 A CB -0.404 18.672 19.000 0.127 0.000 1.003 91 A HN 0.454 nan 8.150 nan 0.000 0.497 92 P HA 0.120 nan 4.420 nan 0.000 0.268 92 P C 0.202 177.417 177.300 -0.141 0.000 1.204 92 P CA 0.056 63.007 63.100 -0.249 0.000 0.768 92 P CB 0.688 32.021 31.700 -0.611 0.000 0.842 93 S N 1.469 117.086 115.700 -0.137 0.000 2.641 93 S HA 0.142 4.616 4.470 0.006 0.000 0.261 93 S C 1.494 176.021 174.600 -0.123 0.000 1.257 93 S CA -0.638 57.509 58.200 -0.088 0.000 0.983 93 S CB -0.005 63.157 63.200 -0.063 0.000 0.990 93 S HN 0.192 nan 8.310 nan 0.000 0.572 94 V N 1.380 121.247 119.914 -0.078 0.000 2.255 94 V HA -0.175 3.949 4.120 0.006 0.000 0.247 94 V C 2.692 178.737 176.094 -0.083 0.000 1.051 94 V CA 2.438 64.706 62.300 -0.053 0.000 1.018 94 V CB -1.520 30.306 31.823 0.004 0.000 0.641 94 V HN 0.859 nan 8.190 nan 0.000 0.445 95 E N 0.596 120.760 120.200 -0.061 0.000 2.097 95 E HA -0.213 4.141 4.350 0.006 0.000 0.196 95 E C 1.982 178.524 176.600 -0.096 0.000 1.000 95 E CA 1.831 58.196 56.400 -0.058 0.000 0.804 95 E CB -0.567 29.110 29.700 -0.038 0.000 0.740 95 E HN 0.721 nan 8.360 nan 0.000 0.454 96 N N -0.309 118.304 118.700 -0.145 0.000 2.018 96 N HA -0.179 4.564 4.740 0.006 0.000 0.196 96 N C 1.753 177.093 175.510 -0.284 0.000 1.043 96 N CA 1.521 54.443 53.050 -0.212 0.000 0.856 96 N CB -0.118 38.193 38.487 -0.293 0.000 1.042 96 N HN -0.051 nan 8.380 nan 0.000 0.423 97 V N 1.521 121.190 119.914 -0.408 0.000 2.332 97 V HA -0.241 3.883 4.120 0.006 0.000 0.248 97 V C 2.118 178.108 176.094 -0.173 0.000 1.055 97 V CA 1.630 63.670 62.300 -0.433 0.000 1.038 97 V CB -0.403 30.997 31.823 -0.704 0.000 0.651 97 V HN 0.296 nan 8.190 nan 0.000 0.450 98 K N 0.087 120.389 120.400 -0.164 0.000 2.057 98 K HA -0.163 4.160 4.320 0.006 0.000 0.207 98 K C 1.915 178.512 176.600 -0.006 0.000 1.049 98 K CA 1.949 58.200 56.287 -0.059 0.000 0.931 98 K CB -0.306 32.173 32.500 -0.034 0.000 0.714 98 K HN 0.594 nan 8.250 nan 0.000 0.440 99 N N -0.166 118.529 118.700 -0.009 0.000 2.270 99 N HA -0.086 4.658 4.740 0.006 0.000 0.181 99 N C 1.940 177.492 175.510 0.070 0.000 1.016 99 N CA 0.602 53.665 53.050 0.022 0.000 0.870 99 N CB -0.092 38.398 38.487 0.006 0.000 0.979 99 N HN 0.199 nan 8.380 nan 0.000 0.431 100 G N 1.727 110.591 108.800 0.106 0.000 2.476 100 G HA2 -0.248 3.716 3.960 0.006 0.000 0.218 100 G HA3 -0.248 3.716 3.960 0.006 0.000 0.218 100 G C 1.449 176.468 174.900 0.199 0.000 1.164 100 G CA 0.735 45.973 45.100 0.230 0.000 0.768 100 G HN 0.198 nan 8.290 nan 0.000 0.560 101 I N -0.105 120.584 120.570 0.198 0.000 2.226 101 I HA -0.131 4.043 4.170 0.006 0.000 0.245 101 I C 2.855 179.132 176.117 0.266 0.000 1.100 101 I CA 1.115 62.555 61.300 0.234 0.000 1.374 101 I CB -0.275 37.845 38.000 0.201 0.000 1.057 101 I HN 0.093 nan 8.210 nan 0.000 0.413 102 R N 0.535 121.119 120.500 0.140 0.000 2.097 102 R HA -0.190 4.154 4.340 0.006 0.000 0.236 102 R C 2.366 178.772 176.300 0.177 0.000 1.135 102 R CA 2.484 58.651 56.100 0.112 0.000 0.934 102 R CB -0.449 29.881 30.300 0.050 0.000 0.846 102 R HN 0.296 nan 8.270 nan 0.000 0.431 103 T N -0.474 114.165 114.554 0.141 0.000 2.684 103 T HA -0.140 4.214 4.350 0.006 0.000 0.267 103 T C 1.743 176.538 174.700 0.158 0.000 1.036 103 T CA 1.388 63.565 62.100 0.128 0.000 1.148 103 T CB -0.692 68.231 68.868 0.091 0.000 0.863 103 T HN 0.593 nan 8.240 nan 0.000 0.436 104 G N 0.547 109.451 108.800 0.173 0.000 2.476 104 G HA2 -0.196 3.768 3.960 0.006 0.000 0.218 104 G HA3 -0.196 3.768 3.960 0.006 0.000 0.218 104 G C 1.304 176.293 174.900 0.149 0.000 1.164 104 G CA 0.534 45.730 45.100 0.159 0.000 0.768 104 G HN 0.422 nan 8.290 nan 0.000 0.560 105 F N 0.732 120.732 119.950 0.083 0.000 2.102 105 F HA 0.039 4.569 4.527 0.006 0.000 0.298 105 F C 2.710 178.558 175.800 0.080 0.000 1.105 105 F CA 1.047 59.098 58.000 0.085 0.000 1.239 105 F CB -0.217 38.837 39.000 0.089 0.000 0.991 105 F HN 0.013 nan 8.300 nan 0.000 0.474 106 L N -0.786 120.593 121.223 0.260 0.000 2.109 106 L HA -0.156 4.187 4.340 0.006 0.000 0.207 106 L C 2.195 179.149 176.870 0.140 0.000 1.086 106 L CA 1.403 56.349 54.840 0.177 0.000 0.760 106 L CB -0.815 41.327 42.059 0.138 0.000 0.910 106 L HN 0.193 nan 8.230 nan 0.000 0.437 107 E N 0.322 120.604 120.200 0.137 0.000 2.107 107 E HA -0.179 4.175 4.350 0.006 0.000 0.191 107 E C 2.261 178.952 176.600 0.152 0.000 0.982 107 E CA 0.812 57.297 56.400 0.141 0.000 0.809 107 E CB 0.063 29.856 29.700 0.154 0.000 0.756 107 E HN 0.429 nan 8.360 nan 0.000 0.459 108 I N 1.173 121.763 120.570 0.034 0.000 2.315 108 I HA -0.250 3.924 4.170 0.006 0.000 0.248 108 I C 1.922 178.051 176.117 0.020 0.000 1.117 108 I CA 1.222 62.407 61.300 -0.192 0.000 1.404 108 I CB 0.114 37.807 38.000 -0.512 0.000 1.071 108 I HN 0.022 nan 8.210 nan 0.000 0.419 109 D N 0.709 121.162 120.400 0.088 0.000 2.097 109 D HA -0.292 4.351 4.640 0.006 0.000 0.195 109 D C 2.146 178.580 176.300 0.224 0.000 0.989 109 D CA 1.576 55.700 54.000 0.207 0.000 0.827 109 D CB -0.069 40.864 40.800 0.222 0.000 0.966 109 D HN 0.443 nan 8.370 nan 0.000 0.456 110 E N -1.082 119.197 120.200 0.131 0.000 2.150 110 E HA -0.260 4.093 4.350 0.006 0.000 0.193 110 E C 1.904 178.519 176.600 0.024 0.000 0.985 110 E CA 0.750 57.174 56.400 0.039 0.000 0.814 110 E CB -0.171 29.560 29.700 0.051 0.000 0.752 110 E HN 0.363 nan 8.360 nan 0.000 0.466 111 H N 0.837 119.886 119.070 -0.034 0.000 2.319 111 H HA -0.075 4.485 4.556 0.006 0.000 0.299 111 H C 2.004 177.240 175.328 -0.153 0.000 1.092 111 H CA 2.187 58.205 56.048 -0.050 0.000 1.302 111 H CB -0.253 29.542 29.762 0.054 0.000 1.373 111 H HN 0.172 nan 8.280 nan 0.000 0.497 112 M N -0.539 118.933 119.600 -0.213 0.000 2.175 112 M HA -0.132 4.352 4.480 0.006 0.000 0.264 112 M C 2.575 178.674 176.300 -0.336 0.000 1.063 112 M CA 1.506 56.612 55.300 -0.323 0.000 1.119 112 M CB -0.130 32.431 32.600 -0.064 0.000 1.377 112 M HN 0.223 nan 8.290 nan 0.000 0.415 113 R N 0.539 120.725 120.500 -0.524 0.000 2.073 113 R HA -0.151 4.192 4.340 0.006 0.000 0.234 113 R C 2.157 178.167 176.300 -0.484 0.000 1.134 113 R CA 2.025 57.555 56.100 -0.950 0.000 0.952 113 R CB -0.410 29.276 30.300 -1.023 0.000 0.850 113 R HN 0.413 nan 8.270 nan 0.000 0.433 114 V N -1.122 118.617 119.914 -0.292 0.000 2.343 114 V HA -0.235 3.889 4.120 0.006 0.000 0.247 114 V C 2.266 178.241 176.094 -0.197 0.000 1.051 114 V CA 1.890 64.075 62.300 -0.192 0.000 1.036 114 V CB -0.620 31.149 31.823 -0.089 0.000 0.654 114 V HN 0.303 nan 8.190 nan 0.000 0.451 115 M N 0.884 120.343 119.600 -0.236 0.000 2.082 115 M HA -0.199 4.285 4.480 0.006 0.000 0.258 115 M C 2.665 178.842 176.300 -0.206 0.000 1.069 115 M CA 2.632 57.786 55.300 -0.244 0.000 1.102 115 M CB -0.579 31.789 32.600 -0.385 0.000 1.336 115 M HN 0.635 nan 8.290 nan 0.000 0.404 116 S N -0.154 115.412 115.700 -0.224 0.000 2.383 116 S HA -0.203 4.270 4.470 0.006 0.000 0.227 116 S C 1.750 176.238 174.600 -0.186 0.000 1.026 116 S CA 1.729 59.830 58.200 -0.165 0.000 0.981 116 S CB -0.241 62.885 63.200 -0.124 0.000 0.818 116 S HN 0.534 nan 8.310 nan 0.000 0.472 117 E N 0.433 120.492 120.200 -0.235 0.000 2.106 117 E HA -0.185 4.169 4.350 0.006 0.000 0.192 117 E C 2.062 178.478 176.600 -0.307 0.000 0.984 117 E CA 1.227 57.471 56.400 -0.261 0.000 0.806 117 E CB -0.169 29.392 29.700 -0.231 0.000 0.750 117 E HN 0.579 nan 8.360 nan 0.000 0.458 118 K N 0.762 121.036 120.400 -0.210 0.000 2.031 118 K HA -0.087 4.237 4.320 0.006 0.000 0.205 118 K C 1.524 178.072 176.600 -0.087 0.000 1.049 118 K CA 1.335 57.533 56.287 -0.148 0.000 0.939 118 K CB 0.167 32.613 32.500 -0.089 0.000 0.717 118 K HN -0.087 nan 8.250 nan 0.000 0.438 119 K N -0.242 120.118 120.400 -0.066 0.000 2.458 119 K HA 0.023 4.347 4.320 0.006 0.000 0.194 119 K C -0.727 175.940 176.600 0.111 0.000 1.024 119 K CA 0.185 56.490 56.287 0.030 0.000 1.108 119 K CB 0.038 32.529 32.500 -0.015 0.000 0.846 119 K HN 0.306 nan 8.250 nan 0.000 0.518 120 H N -0.655 118.391 119.070 -0.041 0.000 2.692 120 H HA -0.149 4.411 4.556 0.006 0.000 0.316 120 H C 0.604 175.919 175.328 -0.023 0.000 1.176 120 H CA 0.472 56.502 56.048 -0.030 0.000 1.142 120 H CB -1.855 27.894 29.762 -0.022 0.000 1.475 120 H HN 0.426 nan 8.280 nan 0.000 0.423 121 G N -0.352 108.461 108.800 0.021 0.000 2.414 121 G HA2 0.308 4.271 3.960 0.006 0.000 0.236 121 G HA3 0.308 4.271 3.960 0.006 0.000 0.236 121 G C 0.914 175.834 174.900 0.034 0.000 1.293 121 G CA 0.010 45.120 45.100 0.018 0.000 0.869 121 G HN 0.534 nan 8.290 nan 0.000 0.556 122 A N 1.808 124.648 122.820 0.033 0.000 2.063 122 A HA 0.159 4.483 4.320 0.006 0.000 0.211 122 A C 1.311 178.916 177.584 0.035 0.000 1.177 122 A CA 0.731 52.788 52.037 0.035 0.000 0.759 122 A CB -0.175 18.842 19.000 0.029 0.000 0.857 122 A HN 0.785 nan 8.150 nan 0.000 0.468 123 D N -0.606 119.813 120.400 0.031 0.000 2.414 123 D HA 0.170 4.814 4.640 0.006 0.000 0.242 123 D C -0.297 176.031 176.300 0.048 0.000 1.129 123 D CA -0.096 53.923 54.000 0.031 0.000 0.885 123 D CB 0.782 41.592 40.800 0.017 0.000 1.198 123 D HN -0.095 nan 8.370 nan 0.000 0.437 124 R N 0.894 121.422 120.500 0.048 0.000 2.865 124 R HA 0.159 4.503 4.340 0.006 0.000 0.370 124 R C -0.189 176.136 176.300 0.041 0.000 1.168 124 R CA -0.463 55.674 56.100 0.063 0.000 1.058 124 R CB -0.020 30.326 30.300 0.077 0.000 1.419 124 R HN 0.572 nan 8.270 nan 0.000 0.580 125 S N -1.827 113.868 115.700 -0.008 0.000 2.624 125 S HA 0.791 5.265 4.470 0.006 0.000 0.263 125 S C 0.583 175.072 174.600 -0.184 0.000 1.287 125 S CA -0.142 58.018 58.200 -0.066 0.000 0.990 125 S CB 1.840 64.996 63.200 -0.075 0.000 0.950 125 S HN 0.260 nan 8.310 nan 0.000 0.561 126 G N -0.753 107.813 108.800 -0.390 0.000 2.708 126 G HA2 0.617 4.581 3.960 0.006 0.000 0.289 126 G HA3 0.617 4.581 3.960 0.006 0.000 0.289 126 G C -1.397 173.034 174.900 -0.781 0.000 1.416 126 G CA -0.620 44.143 45.100 -0.562 0.000 0.829 126 G HN 1.055 nan 8.290 nan 0.000 0.480 127 S N -0.982 114.475 115.700 -0.404 0.000 2.533 127 S HA 0.683 5.157 4.470 0.006 0.000 0.271 127 S C 0.073 174.728 174.600 0.092 0.000 1.143 127 S CA 0.056 58.168 58.200 -0.147 0.000 0.891 127 S CB 1.311 64.497 63.200 -0.023 0.000 1.105 127 S HN 1.464 nan 8.310 nan 0.000 0.468 128 T N 1.562 116.230 114.554 0.190 0.000 2.868 128 T HA 0.761 5.115 4.350 0.006 0.000 0.292 128 T C 0.099 174.972 174.700 0.288 0.000 1.028 128 T CA -0.305 61.942 62.100 0.246 0.000 1.059 128 T CB 1.116 70.121 68.868 0.229 0.000 0.991 128 T HN 1.160 nan 8.240 nan 0.000 0.531 129 A N 1.222 124.228 122.820 0.311 0.000 2.398 129 A HA 0.738 5.062 4.320 0.006 0.000 0.301 129 A C -0.876 176.830 177.584 0.204 0.000 1.041 129 A CA -0.803 51.380 52.037 0.243 0.000 0.711 129 A CB 1.982 21.263 19.000 0.469 0.000 1.240 129 A HN 1.090 nan 8.150 nan 0.000 0.420 130 V N 1.561 121.506 119.914 0.052 0.000 2.789 130 V HA 0.953 5.076 4.120 0.006 0.000 0.311 130 V C 0.146 176.249 176.094 0.016 0.000 1.073 130 V CA 0.764 63.136 62.300 0.118 0.000 0.921 130 V CB 2.071 33.994 31.823 0.166 0.000 1.009 130 V HN 1.927 nan 8.190 nan 0.000 0.426 131 G N 3.538 112.386 108.800 0.080 0.000 2.495 131 G HA2 0.625 4.589 3.960 0.006 0.000 0.294 131 G HA3 0.625 4.589 3.960 0.006 0.000 0.294 131 G C -1.454 173.415 174.900 -0.052 0.000 1.397 131 G CA 0.122 45.180 45.100 -0.071 0.000 0.790 131 G HN 1.564 nan 8.290 nan 0.000 0.486 132 V N -1.812 118.008 119.914 -0.156 0.000 2.656 132 V HA 0.813 4.937 4.120 0.006 0.000 0.307 132 V C -0.367 175.834 176.094 0.179 0.000 1.051 132 V CA -1.060 61.177 62.300 -0.104 0.000 0.893 132 V CB 1.692 33.315 31.823 -0.332 0.000 0.999 132 V HN 0.823 nan 8.190 nan 0.000 0.426 133 L N 5.349 126.814 121.223 0.404 0.000 2.272 133 L HA 0.628 4.972 4.340 0.006 0.000 0.289 133 L C -0.931 176.227 176.870 0.479 0.000 1.032 133 L CA -0.567 54.628 54.840 0.592 0.000 0.810 133 L CB 1.393 43.834 42.059 0.636 0.000 1.205 133 L HN 0.714 nan 8.230 nan 0.000 0.422 134 I N 4.042 124.836 120.570 0.375 0.000 2.355 134 I HA 0.226 4.399 4.170 0.006 0.000 0.288 134 I C 0.385 176.460 176.117 -0.070 0.000 0.999 134 I CA -0.189 61.224 61.300 0.188 0.000 1.163 134 I CB 1.886 40.000 38.000 0.191 0.000 1.316 134 I HN 0.583 nan 8.210 nan 0.000 0.454 135 S N 5.674 121.200 115.700 -0.291 0.000 2.730 135 S HA 0.520 4.994 4.470 0.006 0.000 0.284 135 S C -1.975 172.323 174.600 -0.504 0.000 1.153 135 S CA -1.305 56.319 58.200 -0.960 0.000 0.995 135 S CB 1.379 64.102 63.200 -0.795 0.000 1.058 135 S HN 0.312 nan 8.310 nan 0.000 0.552 136 P HA -0.066 nan 4.420 nan 0.000 0.217 136 P C 0.830 178.023 177.300 -0.178 0.000 1.148 136 P CA 1.424 64.377 63.100 -0.244 0.000 0.828 136 P CB 0.037 31.621 31.700 -0.194 0.000 0.783 137 Q N -3.730 115.960 119.800 -0.182 0.000 2.185 137 Q HA 0.128 4.471 4.340 0.006 0.000 0.234 137 Q C -0.385 175.284 176.000 -0.552 0.000 0.819 137 Q CA 0.029 55.668 55.803 -0.273 0.000 0.961 137 Q CB 0.523 29.129 28.738 -0.219 0.000 1.140 137 Q HN 0.389 nan 8.270 nan 0.000 0.492 138 H N -1.506 117.418 119.070 -0.244 0.000 2.806 138 H HA 0.398 4.957 4.556 0.006 0.000 0.367 138 H C -1.081 174.016 175.328 -0.386 0.000 1.136 138 H CA -0.641 55.171 56.048 -0.394 0.000 1.178 138 H CB 1.961 31.309 29.762 -0.690 0.000 1.718 138 H HN -0.186 nan 8.280 nan 0.000 0.540 139 T N 2.853 117.279 114.554 -0.215 0.000 2.749 139 T HA 0.250 4.603 4.350 0.006 0.000 0.287 139 T C -0.797 173.796 174.700 -0.178 0.000 0.970 139 T CA -0.567 61.477 62.100 -0.095 0.000 0.980 139 T CB -0.114 68.799 68.868 0.076 0.000 0.924 139 T HN 0.345 nan 8.240 nan 0.000 0.456 140 Y N 2.597 122.988 120.300 0.152 0.000 2.504 140 Y HA 0.436 4.989 4.550 0.006 0.000 0.339 140 Y C 0.069 176.049 175.900 0.133 0.000 0.974 140 Y CA -1.407 56.797 58.100 0.174 0.000 1.232 140 Y CB 0.083 38.665 38.460 0.204 0.000 1.108 140 Y HN 0.560 nan 8.280 nan 0.000 0.509 141 F N 4.026 124.101 119.950 0.208 0.000 2.484 141 F HA 0.356 4.887 4.527 0.006 0.000 0.360 141 F C 0.142 176.090 175.800 0.246 0.000 1.101 141 F CA -0.114 58.025 58.000 0.232 0.000 1.251 141 F CB 0.419 39.556 39.000 0.228 0.000 1.132 141 F HN 0.259 nan 8.300 nan 0.000 0.570 142 I N 4.067 124.863 120.570 0.377 0.000 2.466 142 I HA 0.280 4.454 4.170 0.006 0.000 0.289 142 I C -0.590 175.685 176.117 0.264 0.000 1.026 142 I CA -0.451 61.017 61.300 0.279 0.000 1.078 142 I CB 1.650 39.847 38.000 0.328 0.000 1.249 142 I HN 0.541 nan 8.210 nan 0.000 0.429 143 N N 5.463 124.274 118.700 0.185 0.000 2.249 143 N HA 0.501 5.245 4.740 0.006 0.000 0.296 143 N C -1.929 173.710 175.510 0.214 0.000 1.051 143 N CA -0.323 52.846 53.050 0.198 0.000 0.815 143 N CB 2.580 41.163 38.487 0.159 0.000 1.487 143 N HN 0.680 nan 8.380 nan 0.000 0.475 144 C N 3.695 123.156 119.300 0.268 0.000 3.078 144 C HA 0.752 5.215 4.460 0.006 0.000 0.320 144 C C 0.341 175.532 174.990 0.336 0.000 1.039 144 C CA 0.749 59.938 59.018 0.284 0.000 1.386 144 C CB -1.009 26.868 27.740 0.228 0.000 1.836 144 C HN 1.036 nan 8.230 nan 0.000 0.514 145 G N 5.151 114.239 108.800 0.480 0.000 2.306 145 G HA2 0.066 4.030 3.960 0.006 0.000 0.262 145 G HA3 0.066 4.030 3.960 0.006 0.000 0.262 145 G C -0.308 174.710 174.900 0.196 0.000 1.263 145 G CA 0.350 45.626 45.100 0.292 0.000 1.088 145 G HN 0.795 nan 8.290 nan 0.000 0.489 146 D N -0.154 120.332 120.400 0.143 0.000 2.463 146 D HA 0.390 5.033 4.640 0.006 0.000 0.224 146 D C 0.907 177.282 176.300 0.125 0.000 1.174 146 D CA 0.440 54.494 54.000 0.091 0.000 0.829 146 D CB 0.190 41.036 40.800 0.077 0.000 0.993 146 D HN 0.433 nan 8.370 nan 0.000 0.497 147 S N 0.323 116.119 115.700 0.161 0.000 2.600 147 S HA 0.391 4.865 4.470 0.006 0.000 0.265 147 S C 0.128 174.807 174.600 0.133 0.000 1.325 147 S CA -0.543 57.787 58.200 0.216 0.000 1.002 147 S CB 1.455 64.780 63.200 0.208 0.000 0.921 147 S HN 0.291 nan 8.310 nan 0.000 0.554 148 R N -0.250 120.364 120.500 0.190 0.000 2.651 148 R HA 0.564 4.908 4.340 0.006 0.000 0.278 148 R C -0.756 175.654 176.300 0.184 0.000 1.010 148 R CA -0.480 55.546 56.100 -0.124 0.000 0.896 148 R CB 1.667 31.339 30.300 -1.047 0.000 1.211 148 R HN 0.785 nan 8.270 nan 0.000 0.456 149 G N 2.843 111.751 108.800 0.181 0.000 2.481 149 G HA2 0.627 4.590 3.960 0.006 0.000 0.315 149 G HA3 0.627 4.590 3.960 0.006 0.000 0.315 149 G C -1.521 173.578 174.900 0.332 0.000 1.231 149 G CA -0.613 44.752 45.100 0.442 0.000 0.968 149 G HN 0.462 nan 8.290 nan 0.000 0.482 150 L N -0.418 121.081 121.223 0.460 0.000 2.415 150 L HA 0.779 5.122 4.340 0.006 0.000 0.256 150 L C -1.283 175.862 176.870 0.459 0.000 1.010 150 L CA -1.206 53.806 54.840 0.286 0.000 0.826 150 L CB 2.080 44.250 42.059 0.184 0.000 1.405 150 L HN 0.496 nan 8.230 nan 0.000 0.410 151 L N 2.171 123.589 121.223 0.325 0.000 2.305 151 L HA 0.497 4.841 4.340 0.006 0.000 0.284 151 L C -0.907 176.050 176.870 0.144 0.000 1.013 151 L CA -0.576 54.475 54.840 0.352 0.000 0.819 151 L CB 1.438 43.725 42.059 0.380 0.000 1.227 151 L HN 1.044 nan 8.230 nan 0.000 0.417 152 C N 7.135 126.401 119.300 -0.056 0.000 2.303 152 C HA 0.488 4.952 4.460 0.006 0.000 0.341 152 C C 0.207 175.028 174.990 -0.282 0.000 1.244 152 C CA -0.549 58.281 59.018 -0.315 0.000 1.765 152 C CB 0.021 27.152 27.740 -1.015 0.000 2.379 152 C HN 0.948 nan 8.230 nan 0.000 0.530 153 R N 5.685 126.089 120.500 -0.160 0.000 2.513 153 R HA 0.284 4.628 4.340 0.006 0.000 0.301 153 R C 0.190 176.410 176.300 -0.133 0.000 0.968 153 R CA -0.245 55.734 56.100 -0.202 0.000 0.872 153 R CB 0.405 30.491 30.300 -0.356 0.000 1.177 153 R HN 0.915 nan 8.270 nan 0.000 0.444 154 N N 3.416 122.038 118.700 -0.129 0.000 2.758 154 N HA -0.188 4.556 4.740 0.006 0.000 0.248 154 N C -0.824 174.656 175.510 -0.049 0.000 1.076 154 N CA 1.319 54.324 53.050 -0.076 0.000 0.696 154 N CB -0.360 38.091 38.487 -0.060 0.000 0.979 154 N HN 0.990 nan 8.380 nan 0.000 0.550 155 R N -2.631 117.830 120.500 -0.065 0.000 3.989 155 R HA -0.218 4.126 4.340 0.006 0.000 0.377 155 R C -0.508 175.781 176.300 -0.019 0.000 1.158 155 R CA 1.781 57.863 56.100 -0.030 0.000 1.035 155 R CB -1.285 29.016 30.300 0.002 0.000 1.557 155 R HN 0.512 nan 8.270 nan 0.000 0.551 156 K N -0.049 120.330 120.400 -0.034 0.000 2.444 156 K HA 0.467 4.790 4.320 0.006 0.000 0.252 156 K C -0.314 176.292 176.600 0.010 0.000 0.993 156 K CA -0.925 55.363 56.287 0.002 0.000 0.847 156 K CB 2.518 35.031 32.500 0.022 0.000 1.340 156 K HN -0.181 nan 8.250 nan 0.000 0.446 157 V N 3.336 123.270 119.914 0.033 0.000 2.390 157 V HA -0.048 4.075 4.120 0.006 0.000 0.260 157 V C 1.322 177.471 176.094 0.092 0.000 1.043 157 V CA 0.259 62.593 62.300 0.058 0.000 1.047 157 V CB -0.273 31.568 31.823 0.030 0.000 1.066 157 V HN 0.790 nan 8.190 nan 0.000 0.481 158 H N 4.435 123.515 119.070 0.016 0.000 2.415 158 H HA 0.129 4.689 4.556 0.006 0.000 0.297 158 H C 0.106 175.482 175.328 0.080 0.000 1.048 158 H CA 0.940 57.002 56.048 0.025 0.000 1.365 158 H CB 0.630 30.392 29.762 -0.000 0.000 1.421 158 H HN 0.527 nan 8.280 nan 0.000 0.533 159 F N 0.437 120.341 119.950 -0.076 0.000 2.654 159 F HA 0.379 4.910 4.527 0.007 0.000 0.308 159 F C -1.960 173.739 175.800 -0.168 0.000 1.108 159 F CA -1.089 56.760 58.000 -0.252 0.000 0.957 159 F CB 1.422 40.195 39.000 -0.378 0.000 1.309 159 F HN -0.075 nan 8.300 nan 0.000 0.446 160 F N 1.093 120.178 119.950 -1.442 0.000 2.631 160 F HA 0.664 5.195 4.527 0.006 0.000 0.308 160 F C -0.858 174.084 175.800 -1.431 0.000 1.097 160 F CA -0.892 56.410 58.000 -1.164 0.000 0.952 160 F CB 1.020 39.640 39.000 -0.633 0.000 1.307 160 F HN 0.620 nan 8.300 nan 0.000 0.450 161 T N 0.428 114.581 114.554 -0.669 0.000 2.884 161 T HA 0.280 4.634 4.350 0.006 0.000 0.298 161 T C -0.468 174.027 174.700 -0.341 0.000 0.998 161 T CA -0.791 61.077 62.100 -0.387 0.000 1.124 161 T CB 0.988 69.857 68.868 0.002 0.000 0.931 161 T HN 0.694 nan 8.240 nan 0.000 0.531 162 Q N 2.707 122.297 119.800 -0.350 0.000 2.314 162 Q HA 0.184 4.528 4.340 0.006 0.000 0.257 162 Q C -0.654 175.163 176.000 -0.305 0.000 0.975 162 Q CA -0.630 55.002 55.803 -0.284 0.000 0.933 162 Q CB 0.821 29.398 28.738 -0.268 0.000 1.195 162 Q HN 0.671 nan 8.270 nan 0.000 0.426 163 D N 2.009 122.284 120.400 -0.207 0.000 2.458 163 D HA 0.009 4.653 4.640 0.006 0.000 0.243 163 D C -0.246 175.943 176.300 -0.186 0.000 1.146 163 D CA 0.323 54.211 54.000 -0.187 0.000 0.877 163 D CB 0.359 41.109 40.800 -0.083 0.000 1.176 163 D HN 0.328 nan 8.370 nan 0.000 0.461 164 H N 2.199 121.275 119.070 0.010 0.000 3.157 164 H HA 0.131 4.690 4.556 0.006 0.000 0.260 164 H C 0.113 175.442 175.328 0.001 0.000 1.232 164 H CA -0.231 55.822 56.048 0.007 0.000 1.488 164 H CB 0.356 30.127 29.762 0.015 0.000 1.548 164 H HN -0.160 nan 8.280 nan 0.000 0.487 165 K N 4.336 124.788 120.400 0.086 0.000 2.159 165 K HA 0.159 4.483 4.320 0.006 0.000 0.266 165 K C -1.920 174.704 176.600 0.039 0.000 0.975 165 K CA -2.649 53.665 56.287 0.044 0.000 0.865 165 K CB 1.589 34.101 32.500 0.020 0.000 1.087 165 K HN 0.279 nan 8.250 nan 0.000 0.446 166 P HA -0.191 nan 4.420 nan 0.000 0.218 166 P C 0.987 178.294 177.300 0.013 0.000 1.146 166 P CA 1.369 64.474 63.100 0.008 0.000 0.813 166 P CB 0.275 31.969 31.700 -0.010 0.000 0.778 167 S N -3.124 112.583 115.700 0.012 0.000 2.562 167 S HA 0.023 4.497 4.470 0.006 0.000 0.221 167 S C 0.915 175.523 174.600 0.013 0.000 0.975 167 S CA -0.213 57.993 58.200 0.010 0.000 0.918 167 S CB -1.087 62.117 63.200 0.007 0.000 0.772 167 S HN 0.020 nan 8.310 nan 0.000 0.531 168 N N 3.946 122.658 118.700 0.019 0.000 2.412 168 N HA 0.176 4.920 4.740 0.006 0.000 0.254 168 N C -1.822 173.701 175.510 0.021 0.000 1.232 168 N CA -1.576 51.487 53.050 0.021 0.000 0.880 168 N CB 0.456 38.964 38.487 0.035 0.000 1.076 168 N HN 0.104 nan 8.380 nan 0.000 0.458 169 P HA -0.160 nan 4.420 nan 0.000 0.216 169 P C 1.221 178.531 177.300 0.017 0.000 1.157 169 P CA 1.324 64.433 63.100 0.014 0.000 0.880 169 P CB 0.260 31.966 31.700 0.010 0.000 0.791 170 L N -1.306 119.930 121.223 0.022 0.000 2.270 170 L HA -0.048 4.295 4.340 0.006 0.000 0.210 170 L C 2.380 179.264 176.870 0.023 0.000 1.104 170 L CA 0.947 55.801 54.840 0.023 0.000 0.804 170 L CB -0.715 41.360 42.059 0.027 0.000 0.937 170 L HN -0.058 nan 8.230 nan 0.000 0.450 171 E N 0.621 120.838 120.200 0.029 0.000 2.046 171 E HA -0.215 4.139 4.350 0.006 0.000 0.190 171 E C 1.983 178.594 176.600 0.018 0.000 0.982 171 E CA 0.893 57.307 56.400 0.024 0.000 0.800 171 E CB -0.103 29.619 29.700 0.036 0.000 0.756 171 E HN 0.366 nan 8.360 nan 0.000 0.449 172 K N 1.166 121.577 120.400 0.018 0.000 2.032 172 K HA -0.216 4.107 4.320 0.006 0.000 0.209 172 K C 2.160 178.769 176.600 0.015 0.000 1.048 172 K CA 1.598 57.895 56.287 0.016 0.000 0.927 172 K CB -0.023 32.486 32.500 0.014 0.000 0.712 172 K HN 0.056 nan 8.250 nan 0.000 0.441 173 E N 0.474 120.682 120.200 0.015 0.000 2.058 173 E HA -0.251 4.102 4.350 0.006 0.000 0.194 173 E C 2.261 178.870 176.600 0.015 0.000 0.997 173 E CA 1.096 57.504 56.400 0.014 0.000 0.801 173 E CB -0.024 29.684 29.700 0.013 0.000 0.746 173 E HN 0.217 nan 8.360 nan 0.000 0.450 174 R N 0.530 121.039 120.500 0.015 0.000 2.070 174 R HA -0.140 4.203 4.340 0.006 0.000 0.233 174 R C 2.515 178.826 176.300 0.019 0.000 1.137 174 R CA 1.474 57.583 56.100 0.015 0.000 0.945 174 R CB -0.486 29.821 30.300 0.011 0.000 0.845 174 R HN 0.248 nan 8.270 nan 0.000 0.430 175 I N 1.078 121.660 120.570 0.020 0.000 2.145 175 I HA -0.349 3.824 4.170 0.006 0.000 0.244 175 I C 2.553 178.686 176.117 0.026 0.000 1.075 175 I CA 1.704 63.021 61.300 0.028 0.000 1.332 175 I CB -0.277 37.740 38.000 0.028 0.000 1.033 175 I HN 0.331 nan 8.210 nan 0.000 0.410 176 Q N 0.231 120.044 119.800 0.020 0.000 2.167 176 Q HA -0.154 4.190 4.340 0.006 0.000 0.202 176 Q C 1.839 177.848 176.000 0.016 0.000 0.970 176 Q CA 1.409 57.222 55.803 0.017 0.000 0.855 176 Q CB -0.150 28.597 28.738 0.015 0.000 0.911 176 Q HN 0.617 nan 8.270 nan 0.000 0.438 177 N N -0.099 118.611 118.700 0.016 0.000 2.396 177 N HA -0.036 4.708 4.740 0.006 0.000 0.180 177 N C 1.166 176.685 175.510 0.015 0.000 1.028 177 N CA 0.496 53.555 53.050 0.015 0.000 0.893 177 N CB 0.093 38.589 38.487 0.015 0.000 0.967 177 N HN 0.110 nan 8.380 nan 0.000 0.440 178 A N 0.556 123.385 122.820 0.016 0.000 2.259 178 A HA 0.349 4.673 4.320 0.006 0.000 0.208 178 A C 1.510 179.098 177.584 0.007 0.000 1.201 178 A CA 0.545 52.590 52.037 0.013 0.000 0.824 178 A CB -0.385 18.629 19.000 0.023 0.000 0.838 178 A HN 0.309 nan 8.150 nan 0.000 0.485 179 G N -2.039 106.766 108.800 0.009 0.000 2.143 179 G HA2 -0.054 3.910 3.960 0.006 0.000 0.249 179 G HA3 -0.054 3.910 3.960 0.006 0.000 0.249 179 G C 0.693 175.598 174.900 0.009 0.000 0.981 179 G CA 0.443 45.547 45.100 0.005 0.000 0.665 179 G HN 1.335 nan 8.290 nan 0.000 0.528 180 G N -0.782 108.030 108.800 0.020 0.000 2.671 180 G HA2 0.930 4.894 3.960 0.006 0.000 0.275 180 G HA3 0.930 4.894 3.960 0.006 0.000 0.275 180 G C 0.122 175.039 174.900 0.027 0.000 1.368 180 G CA 0.586 45.704 45.100 0.030 0.000 1.044 180 G HN 1.752 nan 8.290 nan 0.000 0.543 181 S N -2.543 113.177 115.700 0.033 0.000 2.607 181 S HA 0.608 5.082 4.470 0.006 0.000 0.273 181 S C -1.430 173.187 174.600 0.028 0.000 1.148 181 S CA -0.691 57.525 58.200 0.026 0.000 0.833 181 S CB 1.783 64.995 63.200 0.020 0.000 1.130 181 S HN 0.734 nan 8.310 nan 0.000 0.470 182 V N 2.160 122.086 119.914 0.020 0.000 2.328 182 V HA 0.435 4.559 4.120 0.006 0.000 0.278 182 V C -0.492 175.610 176.094 0.014 0.000 1.021 182 V CA -0.347 61.963 62.300 0.016 0.000 0.838 182 V CB 0.733 32.563 31.823 0.012 0.000 0.999 182 V HN 0.884 nan 8.190 nan 0.000 0.447 183 M N 6.446 126.055 119.600 0.014 0.000 2.055 183 M HA 0.438 4.922 4.480 0.006 0.000 0.347 183 M C 0.321 176.626 176.300 0.008 0.000 1.123 183 M CA -0.339 54.968 55.300 0.012 0.000 1.035 183 M CB 1.000 33.609 32.600 0.015 0.000 1.484 183 M HN 0.499 nan 8.290 nan 0.000 0.428 184 I N 0.157 120.731 120.570 0.006 0.000 4.897 184 I HA -0.449 3.724 4.170 0.006 0.000 0.038 184 I C 1.211 177.329 176.117 0.002 0.000 0.635 184 I CA 1.520 62.823 61.300 0.004 0.000 0.266 184 I CB -1.467 36.535 38.000 0.003 0.000 0.351 184 I HN 0.690 nan 8.210 nan 0.000 0.150 185 Q N 1.382 121.181 119.800 -0.000 0.000 2.189 185 Q HA 0.305 4.649 4.340 0.006 0.000 0.223 185 Q C 0.246 176.239 176.000 -0.011 0.000 0.828 185 Q CA 0.313 56.114 55.803 -0.003 0.000 0.967 185 Q CB 1.101 29.837 28.738 -0.004 0.000 1.139 185 Q HN 0.548 nan 8.270 nan 0.000 0.497 186 R N -0.065 120.430 120.500 -0.009 0.000 2.589 186 R HA 0.478 4.822 4.340 0.006 0.000 0.293 186 R C -0.531 175.766 176.300 -0.004 0.000 0.963 186 R CA -0.582 55.508 56.100 -0.018 0.000 0.905 186 R CB 2.199 32.490 30.300 -0.014 0.000 1.144 186 R HN -0.169 nan 8.270 nan 0.000 0.459 187 V N 4.990 124.893 119.914 -0.019 0.000 2.450 187 V HA -0.078 4.046 4.120 0.006 0.000 0.281 187 V C 0.300 176.451 176.094 0.096 0.000 1.019 187 V CA 0.092 62.406 62.300 0.024 0.000 1.062 187 V CB 0.059 31.867 31.823 -0.026 0.000 0.979 187 V HN 0.867 nan 8.190 nan 0.000 0.477 188 N N 4.274 123.026 118.700 0.087 0.000 2.708 188 N HA -0.244 4.500 4.740 0.006 0.000 0.249 188 N C 1.200 176.750 175.510 0.066 0.000 1.097 188 N CA 1.554 54.653 53.050 0.082 0.000 0.710 188 N CB -1.242 37.308 38.487 0.105 0.000 1.032 188 N HN 1.427 nan 8.380 nan 0.000 0.551 189 G N -3.211 105.617 108.800 0.047 0.000 2.176 189 G HA2 -0.346 3.618 3.960 0.006 0.000 0.253 189 G HA3 -0.346 3.618 3.960 0.006 0.000 0.253 189 G C 0.876 175.796 174.900 0.033 0.000 0.979 189 G CA 0.947 46.066 45.100 0.032 0.000 0.641 189 G HN 0.543 nan 8.290 nan 0.000 0.530 190 S N -1.198 114.532 115.700 0.051 0.000 3.066 190 S HA 0.438 4.912 4.470 0.006 0.000 0.235 190 S C 0.386 174.975 174.600 -0.020 0.000 0.995 190 S CA 0.184 58.412 58.200 0.046 0.000 0.835 190 S CB 0.274 63.549 63.200 0.126 0.000 0.814 190 S HN 0.368 nan 8.310 nan 0.000 0.594 191 L N 2.651 123.830 121.223 -0.074 0.000 2.313 191 L HA 0.543 4.887 4.340 0.006 0.000 0.282 191 L C 0.853 177.611 176.870 -0.186 0.000 1.092 191 L CA -0.190 54.508 54.840 -0.236 0.000 0.831 191 L CB 0.789 42.520 42.059 -0.545 0.000 1.159 191 L HN 0.303 nan 8.230 nan 0.000 0.442 192 A N 4.684 127.397 122.820 -0.178 0.000 2.238 192 A HA 0.310 4.633 4.320 0.006 0.000 0.208 192 A C 0.275 177.802 177.584 -0.095 0.000 1.177 192 A CA 0.600 52.572 52.037 -0.108 0.000 0.804 192 A CB -0.476 18.478 19.000 -0.077 0.000 0.823 192 A HN 0.555 nan 8.150 nan 0.000 0.482 193 V N -2.863 116.964 119.914 -0.145 0.000 2.769 193 V HA 0.655 4.779 4.120 0.006 0.000 0.312 193 V C 0.600 176.641 176.094 -0.089 0.000 1.061 193 V CA 0.087 62.342 62.300 -0.074 0.000 0.931 193 V CB 1.490 33.297 31.823 -0.028 0.000 1.010 193 V HN 0.367 nan 8.190 nan 0.000 0.433 194 S N 1.875 117.561 115.700 -0.023 0.000 2.511 194 S HA 0.381 4.855 4.470 0.006 0.000 0.214 194 S C 0.642 175.212 174.600 -0.049 0.000 0.997 194 S CA -0.371 57.807 58.200 -0.036 0.000 0.908 194 S CB -0.041 63.159 63.200 -0.001 0.000 0.803 194 S HN 0.809 nan 8.310 nan 0.000 0.504 195 R N 0.743 121.227 120.500 -0.028 0.000 2.628 195 R HA 0.822 5.165 4.340 0.006 0.000 0.288 195 R C -1.297 175.033 176.300 0.050 0.000 0.980 195 R CA -0.197 55.868 56.100 -0.059 0.000 0.891 195 R CB 2.239 32.363 30.300 -0.293 0.000 1.188 195 R HN 0.315 nan 8.270 nan 0.000 0.450 196 A N 2.624 125.486 122.820 0.069 0.000 2.569 196 A HA 0.373 4.697 4.320 0.006 0.000 0.292 196 A C -1.621 176.014 177.584 0.085 0.000 1.032 196 A CA -0.801 51.309 52.037 0.122 0.000 0.669 196 A CB 0.901 19.998 19.000 0.163 0.000 1.290 196 A HN 0.525 nan 8.150 nan 0.000 0.422 197 L N 1.649 122.918 121.223 0.077 0.000 2.399 197 L HA 0.642 4.985 4.340 0.006 0.000 0.266 197 L C 1.410 178.159 176.870 -0.202 0.000 1.114 197 L CA 1.052 55.887 54.840 -0.009 0.000 0.804 197 L CB 0.898 42.970 42.059 0.022 0.000 1.146 197 L HN 2.014 nan 8.230 nan 0.000 0.451 198 G N 0.686 109.212 108.800 -0.456 0.000 2.512 198 G HA2 -0.276 3.687 3.960 0.006 0.000 0.254 198 G HA3 -0.276 3.687 3.960 0.006 0.000 0.254 198 G C -0.274 174.098 174.900 -0.880 0.000 1.199 198 G CA -0.145 44.340 45.100 -1.024 0.000 0.941 198 G HN 0.801 nan 8.290 nan 0.000 0.569 199 D N -1.100 118.988 120.400 -0.521 0.000 2.689 199 D HA -0.159 4.485 4.640 0.006 0.000 0.237 199 D C 1.088 177.372 176.300 -0.027 0.000 1.148 199 D CA 1.399 55.339 54.000 -0.101 0.000 0.656 199 D CB -1.190 39.637 40.800 0.045 0.000 1.050 199 D HN 0.459 nan 8.370 nan 0.000 0.426 200 F N 0.651 120.668 119.950 0.111 0.000 2.269 200 F HA -0.115 4.416 4.527 0.006 0.000 0.301 200 F C 2.210 178.039 175.800 0.050 0.000 1.082 200 F CA 0.850 58.890 58.000 0.067 0.000 1.360 200 F CB -0.216 38.796 39.000 0.019 0.000 1.041 200 F HN -0.020 nan 8.300 nan 0.000 0.512 201 D N -1.180 119.324 120.400 0.175 0.000 2.221 201 D HA -0.206 4.438 4.640 0.006 0.000 0.204 201 D C 1.597 177.835 176.300 -0.103 0.000 0.982 201 D CA 1.309 55.306 54.000 -0.005 0.000 0.857 201 D CB -0.455 40.275 40.800 -0.118 0.000 0.934 201 D HN 0.352 nan 8.370 nan 0.000 0.475 202 Y N -0.072 120.254 120.300 0.044 0.000 2.461 202 Y HA 0.175 4.729 4.550 0.006 0.000 0.277 202 Y C 0.758 176.678 175.900 0.033 0.000 1.182 202 Y CA 0.303 58.418 58.100 0.024 0.000 1.276 202 Y CB 0.496 38.964 38.460 0.013 0.000 1.087 202 Y HN -0.235 nan 8.280 nan 0.000 0.519 203 K N -0.789 119.713 120.400 0.171 0.000 3.202 203 K HA 0.307 4.631 4.320 0.006 0.000 0.206 203 K C -0.645 176.008 176.600 0.088 0.000 1.142 203 K CA -0.022 56.353 56.287 0.147 0.000 0.979 203 K CB 0.161 32.792 32.500 0.218 0.000 0.863 203 K HN 0.109 nan 8.250 nan 0.000 0.479 204 C N 1.032 120.342 119.300 0.017 0.000 2.859 204 C HA 0.240 4.704 4.460 0.006 0.000 0.256 204 C C 0.256 175.126 174.990 -0.200 0.000 1.660 204 C CA -0.565 58.421 59.018 -0.053 0.000 1.755 204 C CB -0.269 27.434 27.740 -0.062 0.000 3.127 204 C HN 0.161 nan 8.230 nan 0.000 0.494 205 V N 2.692 122.525 119.914 -0.134 0.000 2.406 205 V HA 0.267 4.391 4.120 0.006 0.000 0.272 205 V C 0.148 176.167 176.094 -0.124 0.000 1.043 205 V CA -0.197 61.990 62.300 -0.189 0.000 0.915 205 V CB 0.218 31.999 31.823 -0.070 0.000 0.988 205 V HN 0.485 nan 8.190 nan 0.000 0.466 206 H N 3.147 122.226 119.070 0.014 0.000 2.732 206 H HA 0.311 4.871 4.556 0.006 0.000 0.351 206 H C 1.337 176.673 175.328 0.012 0.000 1.090 206 H CA 0.461 56.516 56.048 0.011 0.000 1.431 206 H CB 0.743 30.509 29.762 0.006 0.000 1.447 206 H HN 1.005 nan 8.280 nan 0.000 0.582 207 G N 2.325 111.207 108.800 0.137 0.000 2.221 207 G HA2 -0.238 3.726 3.960 0.006 0.000 0.265 207 G HA3 -0.238 3.726 3.960 0.006 0.000 0.265 207 G C -0.084 174.849 174.900 0.054 0.000 1.041 207 G CA 0.012 45.158 45.100 0.076 0.000 0.807 207 G HN 0.460 nan 8.290 nan 0.000 0.502 208 K N -0.072 120.360 120.400 0.053 0.000 2.482 208 K HA 0.584 4.907 4.320 0.006 0.000 0.251 208 K C 0.785 177.410 176.600 0.042 0.000 0.936 208 K CA -0.109 56.202 56.287 0.039 0.000 0.791 208 K CB 1.726 34.243 32.500 0.029 0.000 1.213 208 K HN 0.439 nan 8.250 nan 0.000 0.428 209 G N 2.438 111.261 108.800 0.037 0.000 2.732 209 G HA2 0.077 4.041 3.960 0.006 0.000 0.244 209 G HA3 0.077 4.041 3.960 0.006 0.000 0.244 209 G C -1.558 173.370 174.900 0.046 0.000 1.226 209 G CA -0.785 44.339 45.100 0.039 0.000 0.860 209 G HN 0.245 nan 8.290 nan 0.000 0.583 210 P HA -0.105 nan 4.420 nan 0.000 0.217 210 P C 1.856 179.193 177.300 0.061 0.000 1.148 210 P CA 2.120 65.260 63.100 0.066 0.000 0.828 210 P CB 0.106 31.849 31.700 0.071 0.000 0.783 211 T N -4.689 109.891 114.554 0.045 0.000 3.163 211 T HA 0.189 4.543 4.350 0.006 0.000 0.252 211 T C 0.754 175.467 174.700 0.022 0.000 1.056 211 T CA 0.019 62.137 62.100 0.030 0.000 0.947 211 T CB -0.524 68.356 68.868 0.021 0.000 1.016 211 T HN 0.116 nan 8.240 nan 0.000 0.554 212 E N 0.630 120.848 120.200 0.030 0.000 2.812 212 E HA 0.184 4.538 4.350 0.006 0.000 0.211 212 E C 0.177 176.795 176.600 0.031 0.000 0.986 212 E CA -0.420 55.995 56.400 0.026 0.000 1.119 212 E CB 0.504 30.218 29.700 0.025 0.000 1.046 212 E HN 0.420 nan 8.360 nan 0.000 0.474 213 Q N 0.167 119.991 119.800 0.040 0.000 2.189 213 Q HA 0.246 4.589 4.340 0.006 0.000 0.193 213 Q C 1.573 177.606 176.000 0.055 0.000 1.034 213 Q CA -0.198 55.636 55.803 0.051 0.000 1.062 213 Q CB 0.877 29.659 28.738 0.074 0.000 1.118 213 Q HN 0.187 nan 8.270 nan 0.000 0.569 214 L N -0.314 120.960 121.223 0.084 0.000 2.012 214 L HA -0.091 4.252 4.340 0.006 0.000 0.210 214 L C 0.744 177.655 176.870 0.068 0.000 1.073 214 L CA 1.015 55.918 54.840 0.104 0.000 0.748 214 L CB -0.115 42.068 42.059 0.206 0.000 0.891 214 L HN 0.149 nan 8.230 nan 0.000 0.431 215 V N -0.623 119.337 119.914 0.076 0.000 2.417 215 V HA 0.264 4.388 4.120 0.006 0.000 0.291 215 V C -0.104 176.006 176.094 0.027 0.000 1.024 215 V CA -0.436 61.870 62.300 0.010 0.000 0.861 215 V CB 1.659 33.459 31.823 -0.039 0.000 0.985 215 V HN 0.126 nan 8.190 nan 0.000 0.436 216 S N 6.060 121.756 115.700 -0.006 0.000 2.489 216 S HA 0.549 5.022 4.470 0.006 0.000 0.291 216 S C -1.727 172.879 174.600 0.009 0.000 1.151 216 S CA -1.549 56.649 58.200 -0.002 0.000 1.082 216 S CB 1.808 64.982 63.200 -0.043 0.000 1.019 216 S HN 0.646 nan 8.310 nan 0.000 0.492 217 P HA 0.110 nan 4.420 nan 0.000 0.255 217 P C -0.060 177.313 177.300 0.122 0.000 1.248 217 P CA 0.036 63.221 63.100 0.142 0.000 0.807 217 P CB -0.032 31.779 31.700 0.185 0.000 1.150 218 E N 2.714 122.914 120.200 0.000 0.000 2.299 218 E HA 0.129 4.483 4.350 0.006 0.000 0.272 218 E C -1.926 174.549 176.600 -0.207 0.000 1.043 218 E CA -2.091 54.269 56.400 -0.067 0.000 0.895 218 E CB 0.606 30.272 29.700 -0.056 0.000 1.011 218 E HN 0.175 nan 8.360 nan 0.000 0.432 219 P HA 0.128 nan 4.420 nan 0.000 0.279 219 P C -1.079 176.099 177.300 -0.202 0.000 1.252 219 P CA -0.301 62.505 63.100 -0.491 0.000 0.811 219 P CB 0.947 31.986 31.700 -1.102 0.000 1.035 220 E N 0.629 120.790 120.200 -0.065 0.000 2.133 220 E HA 0.423 4.777 4.350 0.006 0.000 0.274 220 E C -1.291 175.253 176.600 -0.094 0.000 0.930 220 E CA -0.834 55.544 56.400 -0.037 0.000 0.770 220 E CB 1.047 30.819 29.700 0.120 0.000 1.104 220 E HN 0.109 nan 8.360 nan 0.000 0.403 221 V N 4.502 124.285 119.914 -0.218 0.000 2.555 221 V HA 0.383 4.507 4.120 0.006 0.000 0.302 221 V C -1.009 174.879 176.094 -0.343 0.000 1.038 221 V CA -0.770 61.456 62.300 -0.124 0.000 0.887 221 V CB 1.648 33.466 31.823 -0.009 0.000 0.991 221 V HN 0.738 nan 8.190 nan 0.000 0.434 222 H N 1.440 120.607 119.070 0.162 0.000 2.689 222 H HA 0.427 4.986 4.556 0.006 0.000 0.346 222 H C -0.965 174.398 175.328 0.058 0.000 1.037 222 H CA -0.635 55.434 56.048 0.034 0.000 1.234 222 H CB 1.703 31.346 29.762 -0.197 0.000 1.572 222 H HN 0.671 nan 8.280 nan 0.000 0.524 223 D N 3.410 123.921 120.400 0.186 0.000 2.316 223 D HA 0.205 4.848 4.640 0.006 0.000 0.245 223 D C -0.640 175.657 176.300 -0.006 0.000 1.171 223 D CA -0.198 53.859 54.000 0.095 0.000 0.856 223 D CB 0.486 41.393 40.800 0.179 0.000 1.090 223 D HN 0.418 nan 8.370 nan 0.000 0.476 224 I N 3.361 123.887 120.570 -0.074 0.000 2.382 224 I HA 0.171 4.345 4.170 0.006 0.000 0.286 224 I C 0.482 176.531 176.117 -0.113 0.000 1.002 224 I CA -0.794 60.464 61.300 -0.070 0.000 1.135 224 I CB 1.583 39.547 38.000 -0.060 0.000 1.288 224 I HN 0.249 nan 8.210 nan 0.000 0.448 225 E N 6.299 126.425 120.200 -0.124 0.000 2.415 225 E HA 0.144 4.498 4.350 0.006 0.000 0.263 225 E C -0.237 176.198 176.600 -0.276 0.000 0.995 225 E CA -0.189 56.040 56.400 -0.285 0.000 0.915 225 E CB 0.739 30.305 29.700 -0.224 0.000 0.951 225 E HN 0.408 nan 8.360 nan 0.000 0.449 226 R N 1.320 121.615 120.500 -0.342 0.000 2.641 226 R HA 0.136 4.480 4.340 0.006 0.000 0.269 226 R C 0.000 176.123 176.300 -0.295 0.000 1.074 226 R CA 0.091 56.000 56.100 -0.318 0.000 1.133 226 R CB 0.777 30.905 30.300 -0.287 0.000 1.029 226 R HN 0.279 nan 8.270 nan 0.000 0.488 227 S N 0.852 116.351 115.700 -0.335 0.000 2.524 227 S HA 0.055 4.528 4.470 0.006 0.000 0.227 227 S C 0.637 175.077 174.600 -0.267 0.000 1.304 227 S CA -0.659 57.377 58.200 -0.273 0.000 1.185 227 S CB 1.018 64.047 63.200 -0.284 0.000 1.104 227 S HN 0.706 nan 8.310 nan 0.000 0.475 228 E N 3.582 123.668 120.200 -0.190 0.000 2.136 228 E HA -0.244 4.110 4.350 0.006 0.000 0.202 228 E C 1.279 177.810 176.600 -0.115 0.000 1.019 228 E CA 2.472 58.793 56.400 -0.132 0.000 0.819 228 E CB -0.029 29.622 29.700 -0.081 0.000 0.739 228 E HN 0.838 nan 8.360 nan 0.000 0.458 229 E N -0.722 119.409 120.200 -0.114 0.000 2.076 229 E HA -0.105 4.249 4.350 0.006 0.000 0.190 229 E C 1.352 177.888 176.600 -0.106 0.000 0.979 229 E CA 1.271 57.617 56.400 -0.089 0.000 0.807 229 E CB 0.115 29.770 29.700 -0.075 0.000 0.761 229 E HN 0.318 nan 8.360 nan 0.000 0.454 230 D N 0.077 120.382 120.400 -0.158 0.000 2.388 230 D HA 0.008 4.651 4.640 0.006 0.000 0.208 230 D C -0.277 175.888 176.300 -0.225 0.000 1.035 230 D CA 0.247 54.143 54.000 -0.173 0.000 0.875 230 D CB 0.130 40.815 40.800 -0.192 0.000 0.984 230 D HN -0.026 nan 8.370 nan 0.000 0.508 231 D N 1.362 121.568 120.400 -0.323 0.000 2.417 231 D HA 0.067 4.711 4.640 0.006 0.000 0.250 231 D C 1.180 177.368 176.300 -0.188 0.000 1.166 231 D CA 0.384 54.112 54.000 -0.454 0.000 0.881 231 D CB 1.458 41.628 40.800 -1.049 0.000 1.164 231 D HN 0.141 nan 8.370 nan 0.000 0.467 232 Q N 1.553 121.320 119.800 -0.056 0.000 2.525 232 Q HA 0.184 4.528 4.340 0.006 0.000 0.203 232 Q C -0.025 176.199 176.000 0.374 0.000 0.947 232 Q CA 0.310 56.165 55.803 0.088 0.000 0.881 232 Q CB 0.687 29.346 28.738 -0.132 0.000 1.049 232 Q HN 0.580 nan 8.270 nan 0.000 0.600 233 F N -1.436 118.706 119.950 0.320 0.000 2.741 233 F HA 0.609 5.139 4.527 0.006 0.000 0.311 233 F C -1.581 174.380 175.800 0.268 0.000 1.149 233 F CA -1.471 56.676 58.000 0.245 0.000 0.930 233 F CB 0.920 39.975 39.000 0.091 0.000 1.312 233 F HN -0.213 nan 8.300 nan 0.000 0.450 234 I N 2.796 123.648 120.570 0.471 0.000 2.465 234 I HA 0.525 4.699 4.170 0.006 0.000 0.291 234 I C -0.889 175.435 176.117 0.345 0.000 1.014 234 I CA -0.780 60.767 61.300 0.412 0.000 1.093 234 I CB 2.092 40.253 38.000 0.267 0.000 1.267 234 I HN 0.512 nan 8.210 nan 0.000 0.431 235 I N 6.741 127.564 120.570 0.422 0.000 2.404 235 I HA 0.476 4.650 4.170 0.006 0.000 0.293 235 I C -0.806 175.543 176.117 0.386 0.000 0.992 235 I CA -0.623 60.877 61.300 0.333 0.000 1.149 235 I CB 1.702 39.929 38.000 0.378 0.000 1.315 235 I HN 0.281 nan 8.210 nan 0.000 0.446 236 L N 5.945 127.320 121.223 0.253 0.000 2.385 236 L HA 0.911 5.255 4.340 0.006 0.000 0.273 236 L C -0.445 176.559 176.870 0.224 0.000 0.990 236 L CA -0.494 54.516 54.840 0.283 0.000 0.821 236 L CB 1.976 44.119 42.059 0.140 0.000 1.279 236 L HN 0.752 nan 8.230 nan 0.000 0.412 237 A N 1.363 124.401 122.820 0.362 0.000 2.594 237 A HA 0.622 4.946 4.320 0.006 0.000 0.296 237 A C -0.446 177.337 177.584 0.332 0.000 1.061 237 A CA -0.731 51.409 52.037 0.172 0.000 0.689 237 A CB 0.988 19.839 19.000 -0.249 0.000 1.280 237 A HN 0.880 nan 8.150 nan 0.000 0.406 238 C N 0.850 120.254 119.300 0.173 0.000 2.639 238 C HA 0.521 4.985 4.460 0.006 0.000 0.360 238 C C 1.611 176.757 174.990 0.260 0.000 1.351 238 C CA 0.484 59.632 59.018 0.217 0.000 2.408 238 C CB 0.083 27.911 27.740 0.147 0.000 2.517 238 C HN 0.992 nan 8.230 nan 0.000 0.696 239 D N 0.561 121.126 120.400 0.276 0.000 2.265 239 D HA -0.050 4.594 4.640 0.006 0.000 0.208 239 D C 1.963 178.357 176.300 0.157 0.000 0.977 239 D CA 1.733 55.897 54.000 0.273 0.000 0.871 239 D CB -1.086 39.831 40.800 0.194 0.000 0.925 239 D HN 0.879 nan 8.370 nan 0.000 0.485 240 G N 0.531 109.389 108.800 0.096 0.000 2.462 240 G HA2 -0.192 3.772 3.960 0.006 0.000 0.220 240 G HA3 -0.192 3.772 3.960 0.006 0.000 0.220 240 G C 1.551 176.437 174.900 -0.023 0.000 1.121 240 G CA 0.776 45.906 45.100 0.049 0.000 0.758 240 G HN 0.271 nan 8.290 nan 0.000 0.559 241 I N -0.703 119.794 120.570 -0.122 0.000 2.270 241 I HA 0.046 4.220 4.170 0.006 0.000 0.239 241 I C 2.435 178.409 176.117 -0.238 0.000 1.080 241 I CA 0.499 61.624 61.300 -0.292 0.000 1.383 241 I CB -1.275 36.372 38.000 -0.588 0.000 1.097 241 I HN 0.319 nan 8.210 nan 0.000 0.420 242 W N 1.630 122.937 121.300 0.012 0.000 2.425 242 W HA -0.150 4.514 4.660 0.006 0.000 0.277 242 W C 2.069 178.580 176.519 -0.013 0.000 1.231 242 W CA 0.243 57.586 57.345 -0.005 0.000 1.248 242 W CB -0.664 28.796 29.460 -0.000 0.000 1.117 242 W HN 0.137 nan 8.180 nan 0.000 0.568 243 D N 0.135 120.642 120.400 0.177 0.000 2.190 243 D HA -0.166 4.477 4.640 0.006 0.000 0.200 243 D C 2.146 178.479 176.300 0.056 0.000 0.992 243 D CA 2.077 56.137 54.000 0.101 0.000 0.854 243 D CB -0.370 40.475 40.800 0.074 0.000 0.936 243 D HN 0.260 nan 8.370 nan 0.000 0.462 244 V N -3.800 116.130 119.914 0.027 0.000 3.477 244 V HA 0.365 4.489 4.120 0.006 0.000 0.297 244 V C 0.409 176.490 176.094 -0.021 0.000 1.433 244 V CA -0.234 62.061 62.300 -0.008 0.000 1.052 244 V CB 0.098 31.901 31.823 -0.033 0.000 0.895 244 V HN -0.102 nan 8.190 nan 0.000 0.438 245 M N 0.916 120.519 119.600 0.005 0.000 2.378 245 M HA 0.688 5.172 4.480 0.006 0.000 0.289 245 M C 0.244 176.622 176.300 0.130 0.000 1.136 245 M CA -0.165 55.143 55.300 0.013 0.000 0.917 245 M CB 2.310 34.872 32.600 -0.063 0.000 1.669 245 M HN 0.242 nan 8.290 nan 0.000 0.461 246 G N 0.945 109.802 108.800 0.096 0.000 2.580 246 G HA2 0.234 4.198 3.960 0.006 0.000 0.278 246 G HA3 0.234 4.198 3.960 0.006 0.000 0.278 246 G C 0.472 175.467 174.900 0.158 0.000 1.212 246 G CA -0.458 44.700 45.100 0.097 0.000 0.939 246 G HN 0.778 nan 8.290 nan 0.000 0.513 247 N N -0.018 118.690 118.700 0.014 0.000 2.025 247 N HA -0.130 4.614 4.740 0.006 0.000 0.194 247 N C 2.011 177.562 175.510 0.068 0.000 1.044 247 N CA 1.528 54.578 53.050 0.000 0.000 0.851 247 N CB -0.324 37.922 38.487 -0.401 0.000 1.036 247 N HN 0.620 nan 8.380 nan 0.000 0.422 248 E N 1.112 121.310 120.200 -0.003 0.000 2.058 248 E HA -0.123 4.230 4.350 0.006 0.000 0.194 248 E C 1.903 178.555 176.600 0.085 0.000 0.997 248 E CA 1.067 57.488 56.400 0.034 0.000 0.801 248 E CB -0.098 29.602 29.700 0.001 0.000 0.746 248 E HN 0.431 nan 8.360 nan 0.000 0.450 249 E N -0.228 120.017 120.200 0.074 0.000 2.033 249 E HA -0.235 4.119 4.350 0.006 0.000 0.199 249 E C 2.048 178.736 176.600 0.147 0.000 1.011 249 E CA 1.234 57.685 56.400 0.084 0.000 0.815 249 E CB -0.240 29.484 29.700 0.040 0.000 0.755 249 E HN 0.123 nan 8.360 nan 0.000 0.451 250 L N 0.927 122.246 121.223 0.161 0.000 2.083 250 L HA -0.147 4.197 4.340 0.006 0.000 0.209 250 L C 2.405 179.430 176.870 0.259 0.000 1.083 250 L CA 1.507 56.465 54.840 0.197 0.000 0.752 250 L CB -0.713 41.420 42.059 0.122 0.000 0.899 250 L HN 0.265 nan 8.230 nan 0.000 0.433 251 C N -0.187 119.278 119.300 0.275 0.000 2.432 251 C HA -0.163 4.300 4.460 0.006 0.000 0.277 251 C C 2.485 177.663 174.990 0.313 0.000 1.249 251 C CA 1.176 60.402 59.018 0.346 0.000 1.725 251 C CB -0.977 26.916 27.740 0.255 0.000 2.028 251 C HN 0.615 nan 8.230 nan 0.000 0.477 252 D N -0.472 120.060 120.400 0.219 0.000 2.144 252 D HA -0.103 4.541 4.640 0.006 0.000 0.199 252 D C 1.779 178.189 176.300 0.183 0.000 0.984 252 D CA 1.110 55.217 54.000 0.179 0.000 0.834 252 D CB -0.605 40.277 40.800 0.137 0.000 0.955 252 D HN 0.561 nan 8.370 nan 0.000 0.465 253 F N 1.602 121.582 119.950 0.049 0.000 2.075 253 F HA -0.187 4.344 4.527 0.006 0.000 0.297 253 F C 2.213 177.999 175.800 -0.022 0.000 1.113 253 F CA 0.931 58.936 58.000 0.008 0.000 1.218 253 F CB -0.590 38.403 39.000 -0.011 0.000 0.984 253 F HN -0.226 nan 8.300 nan 0.000 0.472 254 V N 1.228 121.020 119.914 -0.203 0.000 2.287 254 V HA -0.336 3.787 4.120 0.006 0.000 0.248 254 V C 2.669 178.543 176.094 -0.366 0.000 1.053 254 V CA 2.323 64.371 62.300 -0.419 0.000 1.027 254 V CB -0.810 30.750 31.823 -0.438 0.000 0.646 254 V HN 0.334 nan 8.190 nan 0.000 0.447 255 R N 0.581 121.022 120.500 -0.098 0.000 2.094 255 R HA -0.239 4.105 4.340 0.006 0.000 0.239 255 R C 2.671 178.931 176.300 -0.067 0.000 1.137 255 R CA 2.273 58.394 56.100 0.034 0.000 0.943 255 R CB -0.504 29.906 30.300 0.183 0.000 0.850 255 R HN 0.687 nan 8.270 nan 0.000 0.433 256 S N 0.142 115.785 115.700 -0.094 0.000 2.383 256 S HA -0.139 4.335 4.470 0.006 0.000 0.229 256 S C 1.921 176.408 174.600 -0.187 0.000 1.030 256 S CA 0.876 59.013 58.200 -0.104 0.000 1.002 256 S CB -0.255 62.914 63.200 -0.051 0.000 0.829 256 S HN 0.307 nan 8.310 nan 0.000 0.467 257 R N 1.209 121.499 120.500 -0.350 0.000 2.075 257 R HA 0.274 4.618 4.340 0.006 0.000 0.226 257 R C 2.434 178.597 176.300 -0.229 0.000 1.114 257 R CA 0.916 56.807 56.100 -0.349 0.000 0.972 257 R CB -1.413 28.562 30.300 -0.543 0.000 0.869 257 R HN 0.457 nan 8.270 nan 0.000 0.437 258 L N 1.098 122.185 121.223 -0.226 0.000 2.127 258 L HA -0.145 4.198 4.340 0.006 0.000 0.211 258 L C 1.791 178.608 176.870 -0.088 0.000 1.089 258 L CA 1.274 56.020 54.840 -0.156 0.000 0.757 258 L CB -0.336 41.630 42.059 -0.154 0.000 0.899 258 L HN 0.212 nan 8.230 nan 0.000 0.434 259 E N -0.990 119.166 120.200 -0.073 0.000 2.516 259 E HA -0.097 4.256 4.350 0.006 0.000 0.199 259 E C 1.647 178.219 176.600 -0.047 0.000 1.069 259 E CA 0.246 56.620 56.400 -0.043 0.000 0.876 259 E CB 0.334 30.018 29.700 -0.027 0.000 0.843 259 E HN 0.311 nan 8.360 nan 0.000 0.530 260 V N -0.299 119.575 119.914 -0.067 0.000 3.359 260 V HA 0.052 4.175 4.120 0.006 0.000 0.245 260 V C 0.308 176.367 176.094 -0.058 0.000 1.247 260 V CA 0.753 63.018 62.300 -0.057 0.000 1.145 260 V CB 1.322 33.107 31.823 -0.063 0.000 0.906 260 V HN 0.102 nan 8.190 nan 0.000 0.464 261 T N -0.403 114.106 114.554 -0.075 0.000 2.916 261 T HA 0.358 4.712 4.350 0.006 0.000 0.305 261 T C -0.263 174.391 174.700 -0.077 0.000 1.119 261 T CA -0.170 61.888 62.100 -0.070 0.000 1.008 261 T CB 1.981 70.802 68.868 -0.078 0.000 1.129 261 T HN 0.285 nan 8.240 nan 0.000 0.480 262 D N -0.906 119.456 120.400 -0.064 0.000 2.349 262 D HA 0.050 4.693 4.640 0.006 0.000 0.214 262 D C 0.041 176.295 176.300 -0.077 0.000 1.063 262 D CA -0.193 53.767 54.000 -0.065 0.000 0.847 262 D CB 0.131 40.903 40.800 -0.047 0.000 0.933 262 D HN 0.423 nan 8.370 nan 0.000 0.513 263 D N 0.983 121.335 120.400 -0.079 0.000 2.352 263 D HA 0.065 4.709 4.640 0.006 0.000 0.245 263 D C 1.168 177.407 176.300 -0.102 0.000 1.224 263 D CA -0.217 53.733 54.000 -0.084 0.000 0.879 263 D CB 0.806 41.564 40.800 -0.070 0.000 1.057 263 D HN 0.092 nan 8.370 nan 0.000 0.491 264 L N 2.875 124.029 121.223 -0.115 0.000 2.209 264 L HA 0.007 4.351 4.340 0.006 0.000 0.207 264 L C 2.105 178.905 176.870 -0.116 0.000 1.094 264 L CA 0.386 55.148 54.840 -0.130 0.000 0.790 264 L CB -0.169 41.805 42.059 -0.141 0.000 0.932 264 L HN 0.401 nan 8.230 nan 0.000 0.447 265 E N 0.796 120.933 120.200 -0.104 0.000 2.085 265 E HA -0.279 4.074 4.350 0.006 0.000 0.194 265 E C 2.099 178.656 176.600 -0.072 0.000 0.994 265 E CA 1.297 57.648 56.400 -0.082 0.000 0.801 265 E CB -0.024 29.632 29.700 -0.073 0.000 0.743 265 E HN 0.347 nan 8.360 nan 0.000 0.453 266 K N 0.857 121.212 120.400 -0.075 0.000 2.057 266 K HA -0.126 4.198 4.320 0.006 0.000 0.206 266 K C 2.120 178.675 176.600 -0.076 0.000 1.050 266 K CA 0.962 57.210 56.287 -0.064 0.000 0.935 266 K CB 0.097 32.560 32.500 -0.062 0.000 0.715 266 K HN -0.049 nan 8.250 nan 0.000 0.439 267 V N 0.830 120.678 119.914 -0.111 0.000 2.343 267 V HA -0.326 3.797 4.120 0.006 0.000 0.247 267 V C 2.452 178.475 176.094 -0.117 0.000 1.051 267 V CA 1.695 63.903 62.300 -0.153 0.000 1.036 267 V CB -0.488 31.207 31.823 -0.213 0.000 0.654 267 V HN 0.508 nan 8.190 nan 0.000 0.451 268 C N 0.214 119.453 119.300 -0.102 0.000 2.425 268 C HA -0.115 4.348 4.460 0.006 0.000 0.277 268 C C 2.701 177.662 174.990 -0.048 0.000 1.280 268 C CA 0.936 59.907 59.018 -0.078 0.000 1.744 268 C CB -1.467 26.226 27.740 -0.078 0.000 1.989 268 C HN 0.622 nan 8.230 nan 0.000 0.491 269 N N 0.999 119.674 118.700 -0.041 0.000 2.120 269 N HA -0.114 4.630 4.740 0.006 0.000 0.188 269 N C 1.650 177.158 175.510 -0.004 0.000 1.024 269 N CA 1.298 54.332 53.050 -0.027 0.000 0.852 269 N CB -0.464 38.009 38.487 -0.024 0.000 1.003 269 N HN 0.618 nan 8.380 nan 0.000 0.424 270 E N 0.093 120.308 120.200 0.026 0.000 2.110 270 E HA -0.089 4.265 4.350 0.006 0.000 0.193 270 E C 1.957 178.676 176.600 0.199 0.000 0.988 270 E CA 0.747 57.217 56.400 0.116 0.000 0.804 270 E CB 0.037 29.808 29.700 0.120 0.000 0.745 270 E HN 0.062 nan 8.360 nan 0.000 0.458 271 V N 0.879 120.903 119.914 0.184 0.000 2.255 271 V HA -0.258 3.866 4.120 0.006 0.000 0.247 271 V C 2.321 178.395 176.094 -0.033 0.000 1.051 271 V CA 1.491 63.880 62.300 0.147 0.000 1.018 271 V CB -0.443 31.408 31.823 0.047 0.000 0.641 271 V HN 0.144 nan 8.190 nan 0.000 0.445 272 V N 0.071 119.949 119.914 -0.060 0.000 2.358 272 V HA -0.236 3.888 4.120 0.006 0.000 0.246 272 V C 2.285 178.274 176.094 -0.175 0.000 1.047 272 V CA 2.174 64.410 62.300 -0.107 0.000 1.035 272 V CB -0.695 31.081 31.823 -0.079 0.000 0.658 272 V HN 0.542 nan 8.190 nan 0.000 0.452 273 D N -0.100 120.190 120.400 -0.185 0.000 2.097 273 D HA -0.135 4.509 4.640 0.006 0.000 0.195 273 D C 2.312 178.335 176.300 -0.462 0.000 0.989 273 D CA 1.836 55.606 54.000 -0.383 0.000 0.827 273 D CB -0.486 40.218 40.800 -0.158 0.000 0.966 273 D HN 0.361 nan 8.370 nan 0.000 0.456 274 T N -0.163 114.288 114.554 -0.172 0.000 2.759 274 T HA -0.159 4.195 4.350 0.006 0.000 0.269 274 T C 2.178 176.772 174.700 -0.176 0.000 1.042 274 T CA 0.926 62.943 62.100 -0.140 0.000 1.140 274 T CB -0.445 68.249 68.868 -0.290 0.000 0.864 274 T HN 0.237 nan 8.240 nan 0.000 0.455 275 C N 0.822 120.003 119.300 -0.197 0.000 2.450 275 C HA 0.186 4.650 4.460 0.006 0.000 0.279 275 C C 2.606 177.517 174.990 -0.132 0.000 1.335 275 C CA -0.136 58.788 59.018 -0.156 0.000 1.749 275 C CB -1.198 26.451 27.740 -0.152 0.000 1.963 275 C HN 0.515 nan 8.230 nan 0.000 0.501 276 L N 0.076 121.163 121.223 -0.227 0.000 2.046 276 L HA -0.132 4.212 4.340 0.006 0.000 0.208 276 L C 2.095 178.914 176.870 -0.086 0.000 1.077 276 L CA 2.233 56.953 54.840 -0.200 0.000 0.747 276 L CB -0.725 41.095 42.059 -0.398 0.000 0.896 276 L HN 0.340 nan 8.230 nan 0.000 0.432 277 Y N 0.012 120.316 120.300 0.007 0.000 2.519 277 Y HA -0.026 4.528 4.550 0.006 0.000 0.287 277 Y C 2.385 178.265 175.900 -0.033 0.000 1.128 277 Y CA 0.290 58.386 58.100 -0.006 0.000 1.282 277 Y CB -0.459 37.986 38.460 -0.025 0.000 1.027 277 Y HN 0.146 nan 8.280 nan 0.000 0.551 278 K N -0.568 119.868 120.400 0.061 0.000 2.487 278 K HA 0.179 4.503 4.320 0.006 0.000 0.192 278 K C 1.221 177.819 176.600 -0.004 0.000 1.027 278 K CA 0.701 56.990 56.287 0.004 0.000 1.054 278 K CB -0.005 32.466 32.500 -0.048 0.000 0.824 278 K HN 0.406 nan 8.250 nan 0.000 0.510 279 G N 0.934 109.742 108.800 0.014 0.000 2.175 279 G HA2 -0.222 3.742 3.960 0.006 0.000 0.182 279 G HA3 -0.222 3.742 3.960 0.006 0.000 0.182 279 G C 0.008 174.886 174.900 -0.036 0.000 1.003 279 G CA 0.004 45.092 45.100 -0.020 0.000 0.666 279 G HN 0.235 nan 8.290 nan 0.000 0.506 280 S N -0.078 115.621 115.700 -0.002 0.000 2.537 280 S HA 0.481 4.955 4.470 0.006 0.000 0.286 280 S C 1.294 175.941 174.600 0.079 0.000 1.299 280 S CA 0.291 58.504 58.200 0.020 0.000 1.067 280 S CB 0.441 63.648 63.200 0.013 0.000 0.864 280 S HN 0.428 nan 8.310 nan 0.000 0.494 281 R N 2.273 122.819 120.500 0.076 0.000 2.613 281 R HA 0.249 4.593 4.340 0.006 0.000 0.361 281 R C -0.665 175.837 176.300 0.337 0.000 1.072 281 R CA -0.339 55.847 56.100 0.144 0.000 1.089 281 R CB 0.400 30.572 30.300 -0.212 0.000 1.343 281 R HN 0.560 nan 8.270 nan 0.000 0.571 282 D N 0.200 120.737 120.400 0.229 0.000 2.384 282 D HA 0.163 4.807 4.640 0.006 0.000 0.250 282 D C -0.504 175.891 176.300 0.158 0.000 1.029 282 D CA -0.706 53.411 54.000 0.195 0.000 0.990 282 D CB 0.950 41.832 40.800 0.136 0.000 1.175 282 D HN -0.055 nan 8.370 nan 0.000 0.532 283 N N 0.296 119.074 118.700 0.130 0.000 2.395 283 N HA 0.188 4.932 4.740 0.006 0.000 0.246 283 N C -0.388 175.166 175.510 0.073 0.000 1.246 283 N CA 0.418 53.526 53.050 0.097 0.000 0.879 283 N CB 0.599 39.140 38.487 0.090 0.000 1.098 283 N HN 0.291 nan 8.380 nan 0.000 0.444 284 M N 1.189 120.819 119.600 0.050 0.000 2.267 284 M HA 0.296 4.780 4.480 0.006 0.000 0.289 284 M C -1.297 175.016 176.300 0.021 0.000 1.043 284 M CA -0.466 54.843 55.300 0.016 0.000 0.928 284 M CB 2.098 34.685 32.600 -0.022 0.000 1.613 284 M HN 0.369 nan 8.290 nan 0.000 0.450 285 S N 2.147 117.858 115.700 0.018 0.000 2.614 285 S HA 0.756 5.229 4.470 0.006 0.000 0.288 285 S C -0.945 173.645 174.600 -0.017 0.000 1.137 285 S CA -0.771 57.445 58.200 0.028 0.000 0.992 285 S CB 2.123 65.383 63.200 0.100 0.000 1.026 285 S HN 0.453 nan 8.310 nan 0.000 0.486 286 V N 4.128 124.014 119.914 -0.046 0.000 2.588 286 V HA 0.569 4.693 4.120 0.006 0.000 0.304 286 V C -0.654 175.403 176.094 -0.061 0.000 1.042 286 V CA -0.628 61.633 62.300 -0.065 0.000 0.877 286 V CB 1.641 33.405 31.823 -0.099 0.000 0.996 286 V HN 0.823 nan 8.190 nan 0.000 0.425 287 I N 4.966 125.511 120.570 -0.041 0.000 2.404 287 I HA 0.487 4.661 4.170 0.006 0.000 0.293 287 I C -0.682 175.389 176.117 -0.075 0.000 0.992 287 I CA -0.549 60.715 61.300 -0.060 0.000 1.149 287 I CB 1.917 39.879 38.000 -0.065 0.000 1.315 287 I HN 0.357 nan 8.210 nan 0.000 0.446 288 L N 7.480 128.641 121.223 -0.103 0.000 2.343 288 L HA 0.576 4.919 4.340 0.006 0.000 0.278 288 L C -1.207 175.552 176.870 -0.184 0.000 0.996 288 L CA -0.651 54.114 54.840 -0.125 0.000 0.831 288 L CB 1.448 43.414 42.059 -0.155 0.000 1.232 288 L HN 0.530 nan 8.230 nan 0.000 0.413 289 I N 4.224 124.652 120.570 -0.236 0.000 2.354 289 I HA 0.320 4.494 4.170 0.006 0.000 0.292 289 I C -0.276 175.696 176.117 -0.243 0.000 0.989 289 I CA -0.087 60.986 61.300 -0.377 0.000 1.188 289 I CB 1.554 39.136 38.000 -0.697 0.000 1.342 289 I HN 0.469 nan 8.210 nan 0.000 0.457 290 C N 5.909 125.075 119.300 -0.224 0.000 2.355 290 C HA 0.593 5.057 4.460 0.006 0.000 0.332 290 C C -0.031 174.844 174.990 -0.192 0.000 1.255 290 C CA -0.581 58.386 59.018 -0.086 0.000 1.792 290 C CB 0.265 27.996 27.740 -0.014 0.000 2.300 290 C HN 0.485 nan 8.230 nan 0.000 0.515 291 F N 3.011 123.007 119.950 0.076 0.000 2.403 291 F HA 0.376 4.906 4.527 0.005 0.000 0.326 291 F C -1.112 174.710 175.800 0.035 0.000 1.081 291 F CA -1.829 56.196 58.000 0.042 0.000 1.041 291 F CB 0.281 39.293 39.000 0.020 0.000 1.234 291 F HN 0.412 nan 8.300 nan 0.000 0.503 292 P HA -0.217 nan 4.420 nan 0.000 0.218 292 P C -0.076 177.285 177.300 0.101 0.000 1.150 292 P CA 1.774 64.948 63.100 0.122 0.000 0.841 292 P CB 0.014 31.773 31.700 0.098 0.000 0.784 293 N N -1.312 117.456 118.700 0.114 0.000 2.320 293 N HA 0.294 5.037 4.740 0.006 0.000 0.237 293 N C -0.020 175.553 175.510 0.105 0.000 1.129 293 N CA -0.403 52.692 53.050 0.076 0.000 0.854 293 N CB 0.054 38.557 38.487 0.027 0.000 1.083 293 N HN 0.072 nan 8.380 nan 0.000 0.504 294 A N 1.515 124.431 122.820 0.160 0.000 2.507 294 A HA 0.201 4.525 4.320 0.006 0.000 0.235 294 A C -1.965 175.705 177.584 0.143 0.000 1.070 294 A CA -0.752 51.411 52.037 0.209 0.000 0.768 294 A CB -0.152 18.978 19.000 0.217 0.000 1.011 294 A HN 0.085 nan 8.150 nan 0.000 0.502 295 P HA 0.036 nan 4.420 nan 0.000 0.264 295 P C -0.354 176.978 177.300 0.053 0.000 1.179 295 P CA 0.420 63.581 63.100 0.101 0.000 0.763 295 P CB 0.344 32.115 31.700 0.119 0.000 0.806 296 K N 1.657 122.076 120.400 0.032 0.000 2.098 296 K HA 0.317 4.640 4.320 0.006 0.000 0.258 296 K C -0.341 176.259 176.600 -0.001 0.000 0.973 296 K CA -0.974 55.321 56.287 0.013 0.000 0.898 296 K CB 1.126 33.634 32.500 0.013 0.000 1.057 296 K HN 0.143 nan 8.250 nan 0.000 0.447 297 V N 1.891 121.798 119.914 -0.011 0.000 2.557 297 V HA -0.064 4.060 4.120 0.006 0.000 0.301 297 V C 0.789 176.876 176.094 -0.011 0.000 1.026 297 V CA 0.363 62.652 62.300 -0.018 0.000 1.137 297 V CB 0.763 32.572 31.823 -0.022 0.000 0.917 297 V HN 0.736 nan 8.190 nan 0.000 0.484 298 S N 6.361 122.054 115.700 -0.012 0.000 2.449 298 S HA 0.481 4.954 4.470 0.006 0.000 0.310 298 S C -1.425 173.170 174.600 -0.009 0.000 1.096 298 S CA -1.532 56.663 58.200 -0.008 0.000 1.095 298 S CB 1.808 65.004 63.200 -0.005 0.000 1.007 298 S HN 0.521 nan 8.310 nan 0.000 0.474 299 P HA -0.163 nan 4.420 nan 0.000 0.216 299 P C 1.299 178.596 177.300 -0.006 0.000 1.157 299 P CA 1.173 64.269 63.100 -0.006 0.000 0.880 299 P CB 0.149 31.846 31.700 -0.004 0.000 0.791 300 E N -0.782 119.415 120.200 -0.005 0.000 2.051 300 E HA -0.205 4.149 4.350 0.006 0.000 0.192 300 E C 2.011 178.608 176.600 -0.006 0.000 0.991 300 E CA 1.269 57.666 56.400 -0.005 0.000 0.799 300 E CB -0.485 29.213 29.700 -0.004 0.000 0.748 300 E HN 0.064 nan 8.360 nan 0.000 0.449 301 A N 0.517 123.333 122.820 -0.007 0.000 1.940 301 A HA -0.166 4.158 4.320 0.006 0.000 0.219 301 A C 2.398 179.976 177.584 -0.011 0.000 1.176 301 A CA 1.507 53.539 52.037 -0.010 0.000 0.631 301 A CB -0.655 18.337 19.000 -0.013 0.000 0.814 301 A HN 0.206 nan 8.150 nan 0.000 0.446 302 V N 0.088 119.995 119.914 -0.012 0.000 2.343 302 V HA -0.274 3.849 4.120 0.006 0.000 0.247 302 V C 2.445 178.536 176.094 -0.005 0.000 1.051 302 V CA 2.315 64.608 62.300 -0.011 0.000 1.036 302 V CB -0.678 31.138 31.823 -0.012 0.000 0.654 302 V HN 0.530 nan 8.190 nan 0.000 0.451 303 K N 0.116 120.514 120.400 -0.003 0.000 2.026 303 K HA -0.167 4.157 4.320 0.006 0.000 0.208 303 K C 2.277 178.878 176.600 0.002 0.000 1.048 303 K CA 1.363 57.650 56.287 0.000 0.000 0.929 303 K CB -0.231 32.269 32.500 -0.001 0.000 0.713 303 K HN 0.418 nan 8.250 nan 0.000 0.439 304 K N 0.888 121.287 120.400 -0.002 0.000 2.103 304 K HA -0.227 4.096 4.320 0.006 0.000 0.207 304 K C 2.147 178.748 176.600 0.002 0.000 1.048 304 K CA 1.619 57.904 56.287 -0.004 0.000 0.930 304 K CB -0.038 32.458 32.500 -0.007 0.000 0.716 304 K HN 0.230 nan 8.250 nan 0.000 0.444 305 E N 0.751 120.954 120.200 0.004 0.000 2.107 305 E HA -0.140 4.213 4.350 0.006 0.000 0.191 305 E C 1.878 178.490 176.600 0.020 0.000 0.982 305 E CA 0.983 57.390 56.400 0.012 0.000 0.809 305 E CB -0.003 29.700 29.700 0.005 0.000 0.756 305 E HN 0.297 nan 8.360 nan 0.000 0.459 306 A N 0.843 123.672 122.820 0.016 0.000 1.898 306 A HA -0.209 4.115 4.320 0.006 0.000 0.216 306 A C 1.949 179.553 177.584 0.033 0.000 1.181 306 A CA 1.679 53.728 52.037 0.021 0.000 0.620 306 A CB -0.517 18.491 19.000 0.013 0.000 0.819 306 A HN 0.342 nan 8.150 nan 0.000 0.442 307 E N -0.675 119.543 120.200 0.031 0.000 2.051 307 E HA -0.170 4.184 4.350 0.006 0.000 0.192 307 E C 1.940 178.586 176.600 0.076 0.000 0.991 307 E CA 1.187 57.614 56.400 0.046 0.000 0.799 307 E CB -0.271 29.443 29.700 0.023 0.000 0.748 307 E HN 0.485 nan 8.360 nan 0.000 0.449 308 L N 1.618 122.871 121.223 0.051 0.000 2.012 308 L HA -0.217 4.127 4.340 0.006 0.000 0.210 308 L C 1.474 178.417 176.870 0.121 0.000 1.073 308 L CA 1.976 56.860 54.840 0.073 0.000 0.748 308 L CB -0.410 41.671 42.059 0.036 0.000 0.891 308 L HN -0.008 nan 8.230 nan 0.000 0.431 309 D N -0.349 120.099 120.400 0.079 0.000 2.092 309 D HA -0.242 4.402 4.640 0.006 0.000 0.193 309 D C 2.173 178.517 176.300 0.072 0.000 0.994 309 D CA 1.619 55.659 54.000 0.067 0.000 0.828 309 D CB -0.132 40.694 40.800 0.043 0.000 0.963 309 D HN 0.231 nan 8.370 nan 0.000 0.450 310 K N -0.265 120.178 120.400 0.072 0.000 2.063 310 K HA -0.195 4.129 4.320 0.006 0.000 0.208 310 K C 2.221 178.864 176.600 0.073 0.000 1.048 310 K CA 1.061 57.383 56.287 0.059 0.000 0.928 310 K CB -0.799 31.734 32.500 0.054 0.000 0.713 310 K HN 0.208 nan 8.250 nan 0.000 0.442 311 Y N 0.743 121.045 120.300 0.003 0.000 2.128 311 Y HA -0.200 4.354 4.550 0.006 0.000 0.284 311 Y C 1.682 177.585 175.900 0.005 0.000 1.154 311 Y CA 1.975 60.077 58.100 0.004 0.000 1.149 311 Y CB -0.178 38.285 38.460 0.005 0.000 0.976 311 Y HN 0.041 nan 8.280 nan 0.000 0.505 312 L N 0.000 121.309 121.223 0.143 0.000 2.079 312 L HA -0.240 4.104 4.340 0.006 0.000 0.210 312 L C 2.253 179.104 176.870 -0.033 0.000 1.081 312 L CA 1.827 56.702 54.840 0.057 0.000 0.752 312 L CB -0.477 41.639 42.059 0.095 0.000 0.896 312 L HN 0.368 nan 8.230 nan 0.000 0.433 313 E N -0.995 119.190 120.200 -0.026 0.000 2.107 313 E HA -0.185 4.169 4.350 0.006 0.000 0.191 313 E C 2.299 178.854 176.600 -0.074 0.000 0.982 313 E CA 1.376 57.755 56.400 -0.036 0.000 0.809 313 E CB -0.146 29.544 29.700 -0.017 0.000 0.756 313 E HN 0.531 nan 8.360 nan 0.000 0.459 314 C N 0.922 120.148 119.300 -0.122 0.000 2.440 314 C HA -0.016 4.448 4.460 0.006 0.000 0.278 314 C C 2.487 177.366 174.990 -0.185 0.000 1.295 314 C CA 0.141 59.067 59.018 -0.153 0.000 1.738 314 C CB -0.737 26.892 27.740 -0.186 0.000 1.987 314 C HN 0.362 nan 8.230 nan 0.000 0.492 315 R N 0.746 121.087 120.500 -0.264 0.000 2.081 315 R HA -0.094 4.249 4.340 0.006 0.000 0.235 315 R C 2.137 178.380 176.300 -0.096 0.000 1.131 315 R CA 1.136 57.107 56.100 -0.216 0.000 0.960 315 R CB -1.109 29.046 30.300 -0.242 0.000 0.856 315 R HN 0.446 nan 8.270 nan 0.000 0.436 316 V N 1.244 121.121 119.914 -0.061 0.000 2.287 316 V HA -0.257 3.866 4.120 0.006 0.000 0.248 316 V C 2.483 178.565 176.094 -0.021 0.000 1.053 316 V CA 2.071 64.367 62.300 -0.007 0.000 1.027 316 V CB -0.514 31.325 31.823 0.026 0.000 0.646 316 V HN 0.414 nan 8.190 nan 0.000 0.447 317 E N -0.167 120.004 120.200 -0.050 0.000 2.058 317 E HA -0.261 4.093 4.350 0.006 0.000 0.194 317 E C 2.250 178.819 176.600 -0.051 0.000 0.997 317 E CA 1.486 57.851 56.400 -0.058 0.000 0.801 317 E CB -0.058 29.604 29.700 -0.063 0.000 0.746 317 E HN 0.547 nan 8.360 nan 0.000 0.450 318 E N 0.395 120.561 120.200 -0.057 0.000 2.118 318 E HA -0.185 4.169 4.350 0.006 0.000 0.195 318 E C 2.216 178.798 176.600 -0.031 0.000 0.992 318 E CA 0.896 57.267 56.400 -0.048 0.000 0.804 318 E CB -0.233 29.429 29.700 -0.063 0.000 0.741 318 E HN 0.461 nan 8.360 nan 0.000 0.458 319 I N 0.991 121.548 120.570 -0.022 0.000 2.252 319 I HA -0.198 3.976 4.170 0.006 0.000 0.245 319 I C 1.554 177.676 176.117 0.007 0.000 1.102 319 I CA 0.711 62.012 61.300 0.001 0.000 1.385 319 I CB -0.147 37.864 38.000 0.019 0.000 1.064 319 I HN -0.027 nan 8.210 nan 0.000 0.414 320 I N 2.032 122.602 120.570 -0.000 0.000 3.426 320 I HA -0.053 4.121 4.170 0.006 0.000 0.295 320 I C 0.214 176.316 176.117 -0.025 0.000 1.215 320 I CA 0.008 61.300 61.300 -0.013 0.000 1.383 320 I CB -1.366 36.602 38.000 -0.053 0.000 1.110 320 I HN 0.205 nan 8.210 nan 0.000 0.540 327 V N 0.798 120.705 119.914 -0.011 0.000 5.169 327 V HA -0.150 3.973 4.120 0.006 0.000 0.354 327 V C -1.273 174.838 176.094 0.029 0.000 0.683 327 V CA 0.160 62.463 62.300 0.004 0.000 1.377 327 V CB -1.437 30.384 31.823 -0.003 0.000 1.647 327 V HN 0.598 nan 8.190 nan 0.000 0.461 328 P HA 0.407 nan 4.420 nan 0.000 0.277 328 P C -0.228 177.182 177.300 0.184 0.000 1.240 328 P CA -0.236 62.892 63.100 0.047 0.000 0.798 328 P CB 0.810 32.543 31.700 0.055 0.000 0.979 329 D N 1.505 121.988 120.400 0.138 0.000 2.377 329 D HA -0.044 4.600 4.640 0.006 0.000 0.245 329 D C 1.222 177.456 176.300 -0.110 0.000 1.196 329 D CA -0.601 53.464 54.000 0.108 0.000 0.962 329 D CB 0.458 41.307 40.800 0.082 0.000 1.127 329 D HN 0.107 nan 8.370 nan 0.000 0.471 330 L N 1.346 122.234 121.223 -0.558 0.000 2.043 330 L HA -0.215 4.129 4.340 0.006 0.000 0.212 330 L C 2.150 178.853 176.870 -0.278 0.000 1.075 330 L CA 1.538 55.967 54.840 -0.686 0.000 0.752 330 L CB -0.490 41.123 42.059 -0.742 0.000 0.891 330 L HN 0.449 nan 8.230 nan 0.000 0.432 331 V N -0.849 118.965 119.914 -0.167 0.000 2.287 331 V HA -0.361 3.763 4.120 0.006 0.000 0.248 331 V C 2.370 178.378 176.094 -0.143 0.000 1.053 331 V CA 2.278 64.495 62.300 -0.138 0.000 1.027 331 V CB -1.015 30.737 31.823 -0.118 0.000 0.646 331 V HN 0.571 nan 8.190 nan 0.000 0.447 332 H N -0.991 118.036 119.070 -0.071 0.000 2.462 332 H HA -0.029 4.531 4.556 0.006 0.000 0.292 332 H C 2.075 177.385 175.328 -0.030 0.000 1.049 332 H CA 1.385 57.411 56.048 -0.036 0.000 1.334 332 H CB -0.021 29.734 29.762 -0.012 0.000 1.404 332 H HN 0.239 nan 8.280 nan 0.000 0.544 333 V N 0.139 120.087 119.914 0.058 0.000 2.379 333 V HA -0.225 3.899 4.120 0.006 0.000 0.245 333 V C 2.196 178.284 176.094 -0.011 0.000 1.044 333 V CA 1.209 63.530 62.300 0.035 0.000 1.036 333 V CB -0.277 31.575 31.823 0.048 0.000 0.664 333 V HN 0.439 nan 8.190 nan 0.000 0.453 334 M N -0.283 119.281 119.600 -0.060 0.000 2.117 334 M HA -0.164 4.319 4.480 0.006 0.000 0.262 334 M C 2.285 178.555 176.300 -0.051 0.000 1.065 334 M CA 1.706 56.964 55.300 -0.069 0.000 1.114 334 M CB -1.272 31.264 32.600 -0.107 0.000 1.361 334 M HN 0.297 nan 8.290 nan 0.000 0.408 335 R N -0.024 120.439 120.500 -0.062 0.000 2.080 335 R HA -0.146 4.198 4.340 0.006 0.000 0.236 335 R C 2.083 178.373 176.300 -0.017 0.000 1.137 335 R CA 2.408 58.475 56.100 -0.055 0.000 0.943 335 R CB -0.319 29.925 30.300 -0.093 0.000 0.846 335 R HN 0.315 nan 8.270 nan 0.000 0.431 336 T N 1.518 116.076 114.554 0.007 0.000 2.684 336 T HA -0.152 4.201 4.350 0.006 0.000 0.267 336 T C 1.833 176.542 174.700 0.016 0.000 1.036 336 T CA 1.613 63.726 62.100 0.020 0.000 1.148 336 T CB -0.226 68.663 68.868 0.034 0.000 0.863 336 T HN 0.178 nan 8.240 nan 0.000 0.436 337 L N 0.693 121.924 121.223 0.013 0.000 2.083 337 L HA -0.111 4.232 4.340 0.006 0.000 0.209 337 L C 3.051 179.933 176.870 0.021 0.000 1.083 337 L CA 1.205 56.059 54.840 0.022 0.000 0.752 337 L CB -0.685 41.385 42.059 0.018 0.000 0.899 337 L HN 0.263 nan 8.230 nan 0.000 0.433 338 A N 0.047 122.869 122.820 0.003 0.000 1.902 338 A HA -0.226 4.098 4.320 0.006 0.000 0.217 338 A C 2.503 180.089 177.584 0.004 0.000 1.181 338 A CA 1.997 54.033 52.037 -0.002 0.000 0.623 338 A CB -0.736 18.254 19.000 -0.018 0.000 0.818 338 A HN 0.515 nan 8.150 nan 0.000 0.443 339 S N -0.333 115.370 115.700 0.004 0.000 2.474 339 S HA -0.098 4.376 4.470 0.006 0.000 0.235 339 S C 1.378 175.988 174.600 0.016 0.000 0.997 339 S CA 1.228 59.432 58.200 0.007 0.000 0.949 339 S CB -0.386 62.818 63.200 0.007 0.000 0.766 339 S HN 0.650 nan 8.310 nan 0.000 0.517 340 E N 1.406 121.622 120.200 0.026 0.000 2.478 340 E HA 0.050 4.404 4.350 0.006 0.000 0.198 340 E C -0.283 176.339 176.600 0.037 0.000 1.046 340 E CA -0.075 56.349 56.400 0.039 0.000 0.870 340 E CB -0.215 29.521 29.700 0.061 0.000 0.818 340 E HN 0.484 nan 8.360 nan 0.000 0.527 341 N N 1.186 119.902 118.700 0.025 0.000 2.699 341 N HA -0.226 4.518 4.740 0.006 0.000 0.256 341 N C -0.617 174.903 175.510 0.017 0.000 0.993 341 N CA 0.790 53.850 53.050 0.016 0.000 0.759 341 N CB -1.408 37.085 38.487 0.009 0.000 0.906 341 N HN 0.281 nan 8.380 nan 0.000 0.541 342 I N 1.280 121.868 120.570 0.030 0.000 2.752 342 I HA -0.011 4.163 4.170 0.006 0.000 0.289 342 I C -1.071 175.032 176.117 -0.023 0.000 1.197 342 I CA -0.770 60.541 61.300 0.018 0.000 1.432 342 I CB 0.079 38.120 38.000 0.069 0.000 1.359 342 I HN 0.086 nan 8.210 nan 0.000 0.571 343 P HA 0.216 nan 4.420 nan 0.000 0.278 343 P C -0.130 177.127 177.300 -0.071 0.000 1.258 343 P CA -0.399 62.664 63.100 -0.062 0.000 0.811 343 P CB 1.248 32.903 31.700 -0.075 0.000 1.063 344 S N -2.163 113.512 115.700 -0.042 0.000 3.490 344 S HA -0.131 4.343 4.470 0.006 0.000 0.301 344 S C 0.471 175.066 174.600 -0.008 0.000 1.233 344 S CA 0.402 58.584 58.200 -0.031 0.000 0.914 344 S CB -2.260 60.907 63.200 -0.054 0.000 1.047 344 S HN 0.399 nan 8.310 nan 0.000 0.602 345 L N 1.252 122.478 121.223 0.005 0.000 2.452 345 L HA 0.308 4.652 4.340 0.006 0.000 0.267 345 L C -1.747 175.157 176.870 0.057 0.000 1.188 345 L CA -1.904 52.955 54.840 0.031 0.000 0.821 345 L CB -0.113 41.962 42.059 0.026 0.000 1.102 345 L HN -0.060 nan 8.230 nan 0.000 0.470 346 P HA 0.054 nan 4.420 nan 0.000 0.265 346 P C -2.418 174.980 177.300 0.164 0.000 1.193 346 P CA -0.785 62.414 63.100 0.165 0.000 0.765 346 P CB -0.158 31.730 31.700 0.313 0.000 0.823 347 P HA -0.011 nan 4.420 nan 0.000 0.268 347 P C 1.051 178.455 177.300 0.172 0.000 1.204 347 P CA 0.904 64.080 63.100 0.127 0.000 0.768 347 P CB 0.502 32.267 31.700 0.108 0.000 0.842 348 G N 3.405 112.248 108.800 0.072 0.000 3.444 348 G HA2 -0.352 3.612 3.960 0.006 0.000 0.222 348 G HA3 -0.352 3.612 3.960 0.006 0.000 0.222 348 G C 1.369 176.162 174.900 -0.177 0.000 1.358 348 G CA 0.530 45.631 45.100 0.002 0.000 0.880 348 G HN 0.717 nan 8.290 nan 0.000 0.555 349 G N 0.516 109.113 108.800 -0.338 0.000 2.432 349 G HA2 0.209 4.173 3.960 0.006 0.000 0.219 349 G HA3 0.209 4.173 3.960 0.006 0.000 0.219 349 G C 0.797 175.555 174.900 -0.237 0.000 1.135 349 G CA 1.963 46.681 45.100 -0.637 0.000 0.767 349 G HN 1.239 nan 8.290 nan 0.000 0.550 350 E N -1.097 119.051 120.200 -0.087 0.000 3.642 350 E HA -0.263 4.091 4.350 0.006 0.000 0.245 350 E C 1.513 178.102 176.600 -0.019 0.000 1.486 350 E CA 0.845 57.223 56.400 -0.036 0.000 2.265 350 E CB -1.496 28.178 29.700 -0.044 0.000 2.084 350 E HN 0.163 nan 8.360 nan 0.000 0.472 351 L N 0.623 121.837 121.223 -0.014 0.000 2.042 351 L HA -0.224 4.119 4.340 0.006 0.000 0.210 351 L C 2.690 179.555 176.870 -0.009 0.000 1.076 351 L CA 1.955 56.791 54.840 -0.006 0.000 0.749 351 L CB -0.641 41.410 42.059 -0.012 0.000 0.893 351 L HN 0.674 nan 8.230 nan 0.000 0.432 352 A N 0.080 122.892 122.820 -0.013 0.000 1.927 352 A HA -0.285 4.039 4.320 0.006 0.000 0.220 352 A C 2.374 180.007 177.584 0.082 0.000 1.185 352 A CA 2.271 54.329 52.037 0.034 0.000 0.639 352 A CB -0.796 18.219 19.000 0.025 0.000 0.820 352 A HN 0.602 nan 8.150 nan 0.000 0.451 353 S N -1.471 114.227 115.700 -0.002 0.000 2.547 353 S HA -0.005 4.468 4.470 0.006 0.000 0.235 353 S C 1.201 175.875 174.600 0.123 0.000 0.980 353 S CA 1.107 59.333 58.200 0.044 0.000 0.941 353 S CB -0.002 63.178 63.200 -0.034 0.000 0.763 353 S HN 0.438 nan 8.310 nan 0.000 0.532 354 K N 0.745 121.189 120.400 0.074 0.000 2.387 354 K HA 0.299 4.623 4.320 0.006 0.000 0.203 354 K C 1.571 178.176 176.600 0.008 0.000 1.030 354 K CA -0.162 56.160 56.287 0.058 0.000 1.099 354 K CB -0.027 32.504 32.500 0.051 0.000 0.863 354 K HN 0.401 nan 8.250 nan 0.000 0.529 355 R N 1.390 121.866 120.500 -0.039 0.000 2.120 355 R HA -0.058 4.286 4.340 0.006 0.000 0.234 355 R C 1.085 177.283 176.300 -0.170 0.000 1.123 355 R CA 1.222 57.199 56.100 -0.205 0.000 0.975 355 R CB 0.165 30.126 30.300 -0.565 0.000 0.866 355 R HN 0.063 nan 8.270 nan 0.000 0.446 356 N N 0.058 118.736 118.700 -0.036 0.000 2.166 356 N HA -0.129 4.615 4.740 0.006 0.000 0.186 356 N C 1.707 177.221 175.510 0.007 0.000 1.019 356 N CA 1.110 54.171 53.050 0.018 0.000 0.856 356 N CB -0.218 38.332 38.487 0.104 0.000 0.993 356 N HN 0.042 nan 8.380 nan 0.000 0.426 357 V N 1.293 121.216 119.914 0.015 0.000 2.323 357 V HA -0.118 4.006 4.120 0.006 0.000 0.244 357 V C 2.191 178.290 176.094 0.009 0.000 1.041 357 V CA 1.065 63.376 62.300 0.018 0.000 1.025 357 V CB -0.356 31.486 31.823 0.032 0.000 0.656 357 V HN 0.183 nan 8.190 nan 0.000 0.451 358 I N 0.118 120.684 120.570 -0.007 0.000 2.226 358 I HA -0.276 3.898 4.170 0.006 0.000 0.245 358 I C 2.575 178.694 176.117 0.004 0.000 1.100 358 I CA 2.069 63.364 61.300 -0.008 0.000 1.374 358 I CB -0.305 37.673 38.000 -0.037 0.000 1.057 358 I HN 0.408 nan 8.210 nan 0.000 0.413 359 E N 1.163 121.341 120.200 -0.037 0.000 2.107 359 E HA -0.196 4.158 4.350 0.006 0.000 0.191 359 E C 2.302 178.931 176.600 0.049 0.000 0.982 359 E CA 1.061 57.449 56.400 -0.019 0.000 0.809 359 E CB -0.030 29.611 29.700 -0.098 0.000 0.756 359 E HN 0.456 nan 8.360 nan 0.000 0.459 360 A N 0.607 123.441 122.820 0.024 0.000 1.940 360 A HA -0.161 4.163 4.320 0.006 0.000 0.219 360 A C 2.367 179.966 177.584 0.024 0.000 1.176 360 A CA 1.598 53.648 52.037 0.023 0.000 0.631 360 A CB -0.689 18.318 19.000 0.013 0.000 0.814 360 A HN 0.230 nan 8.150 nan 0.000 0.446 361 V N -1.598 118.334 119.914 0.031 0.000 2.270 361 V HA -0.278 3.845 4.120 0.006 0.000 0.245 361 V C 2.327 178.434 176.094 0.021 0.000 1.043 361 V CA 2.036 64.346 62.300 0.017 0.000 1.014 361 V CB -1.157 30.676 31.823 0.018 0.000 0.645 361 V HN 0.694 nan 8.190 nan 0.000 0.447 362 Y N 2.040 122.309 120.300 -0.052 0.000 2.151 362 Y HA -0.294 4.260 4.550 0.006 0.000 0.284 362 Y C 2.523 178.385 175.900 -0.065 0.000 1.166 362 Y CA 2.225 60.293 58.100 -0.054 0.000 1.163 362 Y CB -0.306 38.125 38.460 -0.049 0.000 0.974 362 Y HN 0.303 nan 8.280 nan 0.000 0.511 363 N N 0.202 118.957 118.700 0.091 0.000 2.244 363 N HA -0.124 4.620 4.740 0.006 0.000 0.183 363 N C 1.809 177.251 175.510 -0.115 0.000 1.016 363 N CA 1.348 54.393 53.050 -0.008 0.000 0.866 363 N CB -0.370 38.139 38.487 0.037 0.000 0.980 363 N HN 0.451 nan 8.380 nan 0.000 0.430 364 R N 0.274 120.718 120.500 -0.093 0.000 2.120 364 R HA 0.048 4.391 4.340 0.006 0.000 0.234 364 R C 1.601 177.803 176.300 -0.162 0.000 1.123 364 R CA 0.754 56.788 56.100 -0.111 0.000 0.975 364 R CB -0.101 30.156 30.300 -0.072 0.000 0.866 364 R HN 0.237 nan 8.270 nan 0.000 0.446 365 L N -0.810 120.289 121.223 -0.208 0.000 2.556 365 L HA 0.119 4.463 4.340 0.006 0.000 0.226 365 L C 0.550 177.220 176.870 -0.332 0.000 1.089 365 L CA 0.149 54.845 54.840 -0.240 0.000 0.864 365 L CB 0.265 42.193 42.059 -0.218 0.000 1.067 365 L HN 0.023 nan 8.230 nan 0.000 0.477 366 N N -0.222 118.215 118.700 -0.438 0.000 2.673 366 N HA 0.157 4.901 4.740 0.006 0.000 0.265 366 N C -2.119 173.169 175.510 -0.370 0.000 1.709 366 N CA -1.106 51.675 53.050 -0.450 0.000 0.792 366 N CB 0.730 38.812 38.487 -0.675 0.000 1.286 366 N HN -0.158 nan 8.380 nan 0.000 0.506 367 P HA 0.068 nan 4.420 nan 0.000 0.247 367 P C -0.652 176.404 177.300 -0.406 0.000 1.225 367 P CA 0.594 63.422 63.100 -0.454 0.000 0.768 367 P CB -0.121 31.255 31.700 -0.540 0.000 1.020 368 Y N 0.000 120.292 120.300 -0.013 0.000 2.660 368 Y HA 0.000 4.554 4.550 0.006 0.000 0.201 368 Y CA 0.000 58.102 58.100 0.004 0.000 1.940 368 Y CB 0.000 38.456 38.460 -0.007 0.000 1.050 368 Y HN 0.000 nan 8.280 nan 0.000 0.758