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 3fjo_1_A DATA FIRST_RESID 47 DATA SEQUENCE NRDIAQVVTE NNKNYLVLYA SQTGTAEDYA KKFSKELVAK FNLNVMCADV DATA SEQUENCE ENYDFESLND VPVIVSIFIS TYGEGDFPDG AVNFEDFICN AEAGALSNLR DATA SEQUENCE YNMFGLGNST YEFFNGAAKK AEKHLSAAGA IRLGKLGEAD DGAGTTDEDY DATA SEQUENCE MAWKDSILEV LKDELGVEAT GEESSIRQYE LVVHTDIDAA KVYMGEMGRL DATA SEQUENCE KSYENQKPPF DAKNPFLAAV TTNRKLNQGT ERHLMHLELD ISDSKIRYES DATA SEQUENCE GDHVAVYPAN DSALVNQLGK ILGADLDVVM SLNNLDEESN KKHPFPCPTS DATA SEQUENCE YRTALTYYLD ITNPPRTNVL YELAQYASEP SEQELLRKMA SSSGEGKELY DATA SEQUENCE LSWVVEARRH ILAILQDCPS LRPPIDHLCE LLPRLQARYY SIASSSKVHP DATA SEQUENCE NSVHICAVVV EYETKAGRIN KGVATNWLRA KEPAXXXXXR ALVPMFVRKS DATA SEQUENCE QFRLPFKATT PVIMVGPGTG VAPFIGFIQE RAWLRQQGKE VGETLLYYGC DATA SEQUENCE RRSDEDYLYR EELAQFHRDG ALTQLNVAFS RXXXHKVYVQ HLLKQDREHL DATA SEQUENCE WKLIEGGAHI YVCGDARNMA RDVQNTFYDI VAELGAMEHA QAVDYIKKLM DATA SEQUENCE TKGRYSLDVW S 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 47 N HA 0.000 nan 4.740 nan 0.000 0.220 47 N C 0.000 175.448 175.510 -0.103 0.000 1.280 47 N CA 0.000 53.017 53.050 -0.055 0.000 0.885 47 N CB 0.000 38.441 38.487 -0.077 0.000 1.341 48 R N 0.288 120.716 120.500 -0.120 0.000 2.334 48 R HA 0.183 4.527 4.340 0.007 0.000 0.216 48 R C -0.721 175.560 176.300 -0.030 0.000 0.905 48 R CA 0.002 55.999 56.100 -0.171 0.000 1.064 48 R CB 0.237 30.427 30.300 -0.184 0.000 1.046 48 R HN 0.193 nan 8.270 nan 0.000 0.508 49 D N 1.469 121.863 120.400 -0.010 0.000 2.352 49 D HA -0.010 4.634 4.640 0.007 0.000 0.245 49 D C 0.881 177.161 176.300 -0.033 0.000 1.224 49 D CA -0.137 53.837 54.000 -0.043 0.000 0.879 49 D CB 0.922 41.700 40.800 -0.036 0.000 1.057 49 D HN -0.064 nan 8.370 nan 0.000 0.491 50 I N 4.722 125.197 120.570 -0.159 0.000 2.315 50 I HA -0.172 4.002 4.170 0.007 0.000 0.248 50 I C 1.991 178.010 176.117 -0.163 0.000 1.117 50 I CA 1.461 62.592 61.300 -0.282 0.000 1.404 50 I CB -0.100 37.595 38.000 -0.509 0.000 1.071 50 I HN 0.467 nan 8.210 nan 0.000 0.419 51 A N -0.544 122.214 122.820 -0.104 0.000 1.929 51 A HA -0.232 4.092 4.320 0.007 0.000 0.216 51 A C 2.347 179.909 177.584 -0.036 0.000 1.176 51 A CA 1.631 53.636 52.037 -0.054 0.000 0.628 51 A CB -0.768 18.213 19.000 -0.031 0.000 0.816 51 A HN 0.604 nan 8.150 nan 0.000 0.444 52 Q N -0.066 119.715 119.800 -0.032 0.000 2.002 52 Q HA -0.158 4.186 4.340 0.007 0.000 0.204 52 Q C 2.046 178.041 176.000 -0.008 0.000 0.988 52 Q CA 2.332 58.126 55.803 -0.015 0.000 0.843 52 Q CB -0.241 28.490 28.738 -0.011 0.000 0.908 52 Q HN 0.415 nan 8.270 nan 0.000 0.420 53 V N 0.312 120.224 119.914 -0.003 0.000 2.407 53 V HA -0.239 3.885 4.120 0.007 0.000 0.248 53 V C 2.407 178.496 176.094 -0.008 0.000 1.055 53 V CA 1.452 63.760 62.300 0.015 0.000 1.049 53 V CB -0.477 31.390 31.823 0.072 0.000 0.662 53 V HN 0.238 nan 8.190 nan 0.000 0.455 54 V N 0.910 120.802 119.914 -0.037 0.000 2.295 54 V HA -0.265 3.859 4.120 0.007 0.000 0.246 54 V C 2.705 178.797 176.094 -0.004 0.000 1.049 54 V CA 2.608 64.891 62.300 -0.028 0.000 1.024 54 V CB -1.291 30.509 31.823 -0.039 0.000 0.648 54 V HN 0.802 nan 8.190 nan 0.000 0.447 55 T N -1.185 113.366 114.554 -0.005 0.000 2.643 55 T HA -0.234 4.120 4.350 0.007 0.000 0.264 55 T C 1.700 176.405 174.700 0.007 0.000 1.045 55 T CA 1.566 63.668 62.100 0.004 0.000 1.155 55 T CB -0.546 68.323 68.868 0.002 0.000 0.863 55 T HN 0.520 nan 8.240 nan 0.000 0.420 56 E N 1.693 121.897 120.200 0.006 0.000 2.113 56 E HA -0.208 4.146 4.350 0.007 0.000 0.210 56 E C 1.950 178.557 176.600 0.012 0.000 1.040 56 E CA 1.593 57.999 56.400 0.009 0.000 0.847 56 E CB -0.302 29.405 29.700 0.010 0.000 0.755 56 E HN 0.568 nan 8.360 nan 0.000 0.459 57 N N 0.612 119.320 118.700 0.015 0.000 2.383 57 N HA -0.008 4.736 4.740 0.007 0.000 0.192 57 N C -0.416 175.106 175.510 0.021 0.000 1.141 57 N CA 0.080 53.141 53.050 0.019 0.000 0.851 57 N CB 0.256 38.757 38.487 0.023 0.000 0.976 57 N HN 0.173 nan 8.380 nan 0.000 0.465 58 N N 1.486 120.198 118.700 0.020 0.000 2.758 58 N HA -0.113 4.631 4.740 0.007 0.000 0.248 58 N C -0.975 174.555 175.510 0.033 0.000 1.076 58 N CA 0.914 53.978 53.050 0.024 0.000 0.696 58 N CB -0.594 37.906 38.487 0.022 0.000 0.979 58 N HN 0.269 nan 8.380 nan 0.000 0.550 59 K N 0.916 121.338 120.400 0.036 0.000 2.249 59 K HA 0.237 4.561 4.320 0.007 0.000 0.280 59 K C 1.231 177.872 176.600 0.068 0.000 1.033 59 K CA -0.406 55.914 56.287 0.055 0.000 0.946 59 K CB 0.684 33.215 32.500 0.052 0.000 1.005 59 K HN 0.086 nan 8.250 nan 0.000 0.469 60 N N 0.762 119.522 118.700 0.100 0.000 2.424 60 N HA -0.047 4.697 4.740 0.007 0.000 0.178 60 N C -0.514 175.116 175.510 0.200 0.000 1.060 60 N CA 0.545 53.670 53.050 0.125 0.000 0.901 60 N CB 0.056 38.620 38.487 0.128 0.000 0.979 60 N HN 0.560 nan 8.380 nan 0.000 0.451 61 Y N -0.295 120.039 120.300 0.058 0.000 2.474 61 Y HA 0.352 4.907 4.550 0.008 0.000 0.326 61 Y C -1.845 174.113 175.900 0.096 0.000 1.160 61 Y CA -1.161 56.991 58.100 0.087 0.000 1.056 61 Y CB 1.129 39.648 38.460 0.099 0.000 1.330 61 Y HN -0.205 nan 8.280 nan 0.000 0.447 62 L N 6.369 127.592 121.223 -0.001 0.000 2.333 62 L HA 0.803 5.147 4.340 0.007 0.000 0.280 62 L C -1.710 175.309 176.870 0.248 0.000 1.004 62 L CA -0.779 54.125 54.840 0.108 0.000 0.820 62 L CB 1.612 43.676 42.059 0.009 0.000 1.247 62 L HN 0.407 nan 8.230 nan 0.000 0.416 63 V N 6.673 126.793 119.914 0.344 0.000 2.357 63 V HA 0.482 4.606 4.120 0.007 0.000 0.284 63 V C -0.008 176.258 176.094 0.288 0.000 1.018 63 V CA -0.480 62.087 62.300 0.446 0.000 0.841 63 V CB 1.397 33.530 31.823 0.517 0.000 0.991 63 V HN 0.635 nan 8.190 nan 0.000 0.437 64 L N 5.770 127.156 121.223 0.273 0.000 2.331 64 L HA 0.717 5.061 4.340 0.007 0.000 0.275 64 L C -0.821 176.168 176.870 0.198 0.000 1.022 64 L CA -0.750 54.139 54.840 0.083 0.000 0.812 64 L CB 1.855 43.879 42.059 -0.058 0.000 1.257 64 L HN 0.771 nan 8.230 nan 0.000 0.435 65 Y N 0.860 121.172 120.300 0.020 0.000 2.562 65 Y HA 0.871 5.425 4.550 0.007 0.000 0.345 65 Y C -1.024 174.852 175.900 -0.039 0.000 1.045 65 Y CA -1.408 56.718 58.100 0.043 0.000 1.028 65 Y CB 1.694 40.184 38.460 0.050 0.000 1.297 65 Y HN 0.496 nan 8.280 nan 0.000 0.463 66 A N 2.100 125.033 122.820 0.189 0.000 2.335 66 A HA 0.759 5.083 4.320 0.007 0.000 0.304 66 A C -0.993 176.723 177.584 0.220 0.000 1.118 66 A CA -0.430 51.688 52.037 0.136 0.000 0.757 66 A CB 1.226 20.274 19.000 0.080 0.000 1.188 66 A HN 1.003 nan 8.150 nan 0.000 0.460 67 S N 1.449 117.287 115.700 0.230 0.000 2.626 67 S HA 0.342 4.816 4.470 0.007 0.000 0.275 67 S C 0.178 174.842 174.600 0.107 0.000 1.175 67 S CA -0.271 58.051 58.200 0.203 0.000 0.982 67 S CB 1.702 65.031 63.200 0.215 0.000 1.093 67 S HN 0.761 nan 8.310 nan 0.000 0.472 68 Q N 2.569 122.382 119.800 0.022 0.000 2.123 68 Q HA 0.246 4.590 4.340 0.007 0.000 0.196 68 Q C 1.140 177.110 176.000 -0.050 0.000 0.958 68 Q CA 1.558 57.264 55.803 -0.161 0.000 0.841 68 Q CB 0.250 28.566 28.738 -0.704 0.000 0.915 68 Q HN 0.656 nan 8.270 nan 0.000 0.455 69 T N -1.503 113.081 114.554 0.050 0.000 3.145 69 T HA 0.353 4.707 4.350 0.007 0.000 0.281 69 T C 0.319 175.053 174.700 0.055 0.000 1.003 69 T CA 0.403 62.544 62.100 0.068 0.000 0.901 69 T CB 0.706 69.657 68.868 0.138 0.000 1.112 69 T HN 0.493 nan 8.240 nan 0.000 0.535 70 G N 1.065 109.889 108.800 0.040 0.000 2.175 70 G HA2 -0.304 3.660 3.960 0.007 0.000 0.244 70 G HA3 -0.304 3.660 3.960 0.007 0.000 0.244 70 G C 0.979 175.842 174.900 -0.062 0.000 0.982 70 G CA 0.740 45.823 45.100 -0.029 0.000 0.641 70 G HN 0.500 nan 8.290 nan 0.000 0.527 71 T N 0.752 115.320 114.554 0.023 0.000 2.809 71 T HA 0.266 4.620 4.350 0.007 0.000 0.260 71 T C 2.792 177.556 174.700 0.107 0.000 1.039 71 T CA 2.137 64.278 62.100 0.068 0.000 1.141 71 T CB -0.406 68.565 68.868 0.172 0.000 0.869 71 T HN 1.145 nan 8.240 nan 0.000 0.437 72 A N 1.685 124.576 122.820 0.119 0.000 1.908 72 A HA -0.184 4.140 4.320 0.007 0.000 0.218 72 A C 2.226 179.700 177.584 -0.183 0.000 1.181 72 A CA 2.101 54.218 52.037 0.133 0.000 0.627 72 A CB -0.719 18.403 19.000 0.205 0.000 0.818 72 A HN 0.672 nan 8.150 nan 0.000 0.445 73 E N -0.167 119.769 120.200 -0.440 0.000 2.058 73 E HA -0.265 4.089 4.350 0.007 0.000 0.194 73 E C 1.609 177.794 176.600 -0.692 0.000 0.997 73 E CA 1.483 57.229 56.400 -1.091 0.000 0.801 73 E CB -0.317 28.880 29.700 -0.840 0.000 0.746 73 E HN 0.605 nan 8.360 nan 0.000 0.450 74 D N -0.748 119.376 120.400 -0.460 0.000 2.104 74 D HA -0.184 4.460 4.640 0.007 0.000 0.194 74 D C 1.877 177.828 176.300 -0.582 0.000 0.994 74 D CA 1.389 55.099 54.000 -0.482 0.000 0.830 74 D CB -0.166 40.323 40.800 -0.518 0.000 0.959 74 D HN 0.364 nan 8.370 nan 0.000 0.452 75 Y N 0.882 120.906 120.300 -0.460 0.000 2.314 75 Y HA -0.040 4.514 4.550 0.007 0.000 0.293 75 Y C 2.501 177.854 175.900 -0.912 0.000 1.129 75 Y CA 0.701 58.399 58.100 -0.670 0.000 1.201 75 Y CB -0.173 37.946 38.460 -0.568 0.000 0.999 75 Y HN -0.061 nan 8.280 nan 0.000 0.541 76 A N 0.413 122.642 122.820 -0.986 0.000 1.940 76 A HA -0.224 4.100 4.320 0.007 0.000 0.219 76 A C 2.094 179.442 177.584 -0.394 0.000 1.176 76 A CA 1.846 53.219 52.037 -1.107 0.000 0.631 76 A CB -0.418 18.261 19.000 -0.535 0.000 0.814 76 A HN 0.396 nan 8.150 nan 0.000 0.446 77 K N -0.431 119.766 120.400 -0.338 0.000 2.076 77 K HA -0.033 4.291 4.320 0.007 0.000 0.204 77 K C 2.053 178.580 176.600 -0.123 0.000 1.051 77 K CA 1.132 57.311 56.287 -0.179 0.000 0.949 77 K CB -0.132 32.245 32.500 -0.204 0.000 0.726 77 K HN 0.329 nan 8.250 nan 0.000 0.443 78 K N 0.215 120.511 120.400 -0.174 0.000 2.103 78 K HA -0.171 4.153 4.320 0.007 0.000 0.207 78 K C 2.036 178.728 176.600 0.153 0.000 1.048 78 K CA 1.307 57.559 56.287 -0.058 0.000 0.930 78 K CB -0.214 32.192 32.500 -0.158 0.000 0.716 78 K HN 0.073 nan 8.250 nan 0.000 0.444 79 F N 1.954 121.943 119.950 0.065 0.000 2.113 79 F HA -0.170 4.362 4.527 0.008 0.000 0.297 79 F C 2.342 178.204 175.800 0.104 0.000 1.103 79 F CA 1.253 59.401 58.000 0.246 0.000 1.248 79 F CB -0.463 38.821 39.000 0.473 0.000 0.999 79 F HN -0.108 nan 8.300 nan 0.000 0.475 80 S N 0.624 116.349 115.700 0.041 0.000 2.359 80 S HA -0.282 4.192 4.470 0.007 0.000 0.223 80 S C 1.952 176.473 174.600 -0.131 0.000 1.039 80 S CA 1.864 60.023 58.200 -0.069 0.000 1.042 80 S CB -0.499 62.721 63.200 0.033 0.000 0.915 80 S HN 0.363 nan 8.310 nan 0.000 0.439 81 K N 0.655 121.008 120.400 -0.080 0.000 2.127 81 K HA -0.203 4.121 4.320 0.007 0.000 0.208 81 K C 2.301 178.819 176.600 -0.136 0.000 1.047 81 K CA 1.637 57.872 56.287 -0.088 0.000 0.927 81 K CB -0.139 32.326 32.500 -0.058 0.000 0.716 81 K HN 0.410 nan 8.250 nan 0.000 0.450 82 E N 0.321 120.424 120.200 -0.162 0.000 2.076 82 E HA -0.128 4.226 4.350 0.007 0.000 0.190 82 E C 1.799 178.154 176.600 -0.409 0.000 0.979 82 E CA 0.350 56.614 56.400 -0.228 0.000 0.807 82 E CB 0.122 29.741 29.700 -0.134 0.000 0.761 82 E HN 0.016 nan 8.360 nan 0.000 0.454 83 L N 0.285 121.199 121.223 -0.515 0.000 2.021 83 L HA -0.213 4.131 4.340 0.007 0.000 0.215 83 L C 2.326 178.990 176.870 -0.343 0.000 1.074 83 L CA 1.412 55.937 54.840 -0.525 0.000 0.760 83 L CB -0.922 40.794 42.059 -0.570 0.000 0.889 83 L HN 0.134 nan 8.230 nan 0.000 0.433 84 V N -0.779 118.994 119.914 -0.234 0.000 2.307 84 V HA -0.239 3.885 4.120 0.007 0.000 0.245 84 V C 2.637 178.636 176.094 -0.159 0.000 1.045 84 V CA 1.448 63.664 62.300 -0.140 0.000 1.024 84 V CB -0.938 30.830 31.823 -0.091 0.000 0.651 84 V HN 0.527 nan 8.190 nan 0.000 0.449 85 A N -0.748 121.956 122.820 -0.192 0.000 1.978 85 A HA -0.224 4.100 4.320 0.007 0.000 0.220 85 A C 2.265 179.716 177.584 -0.222 0.000 1.170 85 A CA 1.975 53.908 52.037 -0.174 0.000 0.636 85 A CB -0.266 18.639 19.000 -0.158 0.000 0.810 85 A HN 0.568 nan 8.150 nan 0.000 0.448 86 K N -2.482 117.687 120.400 -0.384 0.000 2.350 86 K HA 0.268 4.592 4.320 0.007 0.000 0.196 86 K C 0.629 176.970 176.600 -0.431 0.000 1.084 86 K CA 0.521 56.497 56.287 -0.518 0.000 0.967 86 K CB 0.257 32.243 32.500 -0.857 0.000 0.950 86 K HN 0.567 nan 8.250 nan 0.000 0.512 87 F N 0.051 119.939 119.950 -0.103 0.000 2.706 87 F HA 0.192 4.724 4.527 0.007 0.000 0.313 87 F C 0.252 176.013 175.800 -0.065 0.000 1.096 87 F CA -0.720 57.230 58.000 -0.083 0.000 1.219 87 F CB 0.356 39.292 39.000 -0.105 0.000 1.051 87 F HN -0.065 nan 8.300 nan 0.000 0.568 88 N N 2.037 120.769 118.700 0.053 0.000 2.721 88 N HA -0.205 4.539 4.740 0.007 0.000 0.249 88 N C -0.373 175.166 175.510 0.048 0.000 1.072 88 N CA 0.280 53.345 53.050 0.026 0.000 0.710 88 N CB -1.225 37.275 38.487 0.021 0.000 0.993 88 N HN 0.275 nan 8.380 nan 0.000 0.547 89 L N -0.514 120.748 121.223 0.065 0.000 2.475 89 L HA 0.231 4.575 4.340 0.007 0.000 0.253 89 L C 1.101 178.001 176.870 0.049 0.000 1.198 89 L CA -0.466 54.416 54.840 0.069 0.000 0.814 89 L CB 0.274 42.386 42.059 0.087 0.000 1.134 89 L HN 0.207 nan 8.230 nan 0.000 0.478 90 N N 0.590 119.330 118.700 0.067 0.000 2.546 90 N HA 0.298 5.042 4.740 0.007 0.000 0.238 90 N C -1.270 174.293 175.510 0.090 0.000 0.984 90 N CA -0.283 52.803 53.050 0.060 0.000 0.935 90 N CB 0.862 39.379 38.487 0.051 0.000 1.122 90 N HN 0.206 nan 8.380 nan 0.000 0.510 91 V N 4.076 124.039 119.914 0.081 0.000 2.472 91 V HA 0.427 4.551 4.120 0.007 0.000 0.290 91 V C 0.507 176.663 176.094 0.104 0.000 1.037 91 V CA -0.782 61.592 62.300 0.123 0.000 0.908 91 V CB 1.460 33.333 31.823 0.084 0.000 0.985 91 V HN 0.609 nan 8.190 nan 0.000 0.454 92 M N 4.693 124.365 119.600 0.120 0.000 2.363 92 M HA 0.575 5.059 4.480 0.007 0.000 0.343 92 M C -0.923 175.447 176.300 0.117 0.000 1.165 92 M CA -0.152 55.198 55.300 0.083 0.000 1.046 92 M CB 1.136 33.755 32.600 0.032 0.000 1.648 92 M HN 0.773 nan 8.290 nan 0.000 0.452 93 C N 5.284 124.649 119.300 0.108 0.000 2.407 93 C HA 0.907 5.371 4.460 0.007 0.000 0.328 93 C C -0.611 174.462 174.990 0.139 0.000 1.137 93 C CA -0.222 58.889 59.018 0.155 0.000 1.390 93 C CB -0.353 27.486 27.740 0.165 0.000 1.989 93 C HN 0.930 nan 8.230 nan 0.000 0.432 94 A N 4.335 127.174 122.820 0.031 0.000 2.401 94 A HA 0.676 5.000 4.320 0.007 0.000 0.310 94 A C -0.934 176.357 177.584 -0.488 0.000 1.075 94 A CA -0.307 51.680 52.037 -0.083 0.000 0.746 94 A CB 1.072 19.989 19.000 -0.139 0.000 1.277 94 A HN 0.791 nan 8.150 nan 0.000 0.425 95 D N 2.112 122.208 120.400 -0.508 0.000 2.325 95 D HA 0.150 4.794 4.640 0.007 0.000 0.251 95 D C 1.386 177.537 176.300 -0.248 0.000 1.196 95 D CA 0.064 53.587 54.000 -0.796 0.000 0.866 95 D CB 1.323 41.936 40.800 -0.313 0.000 1.101 95 D HN 0.151 nan 8.370 nan 0.000 0.476 96 V N 4.705 124.439 119.914 -0.300 0.000 2.353 96 V HA -0.322 3.802 4.120 0.007 0.000 0.260 96 V C 2.031 178.236 176.094 0.185 0.000 1.091 96 V CA 2.170 64.444 62.300 -0.043 0.000 1.088 96 V CB -0.342 31.216 31.823 -0.442 0.000 0.672 96 V HN 0.663 nan 8.190 nan 0.000 0.455 97 E N -0.408 119.832 120.200 0.067 0.000 2.331 97 E HA -0.172 4.182 4.350 0.007 0.000 0.199 97 E C 1.308 177.928 176.600 0.035 0.000 1.008 97 E CA 0.934 57.383 56.400 0.081 0.000 0.843 97 E CB -0.138 29.587 29.700 0.041 0.000 0.761 97 E HN 0.624 nan 8.360 nan 0.000 0.507 98 N N -0.467 118.229 118.700 -0.006 0.000 2.230 98 N HA 0.067 4.811 4.740 0.007 0.000 0.202 98 N C -0.985 174.125 175.510 -0.667 0.000 1.119 98 N CA 0.320 53.193 53.050 -0.295 0.000 0.851 98 N CB 0.542 38.795 38.487 -0.390 0.000 0.990 98 N HN 0.093 nan 8.380 nan 0.000 0.497 99 Y N -0.216 119.988 120.300 -0.160 0.000 2.553 99 Y HA 0.327 4.881 4.550 0.007 0.000 0.347 99 Y C -0.271 175.394 175.900 -0.392 0.000 1.019 99 Y CA -1.231 56.646 58.100 -0.372 0.000 1.032 99 Y CB 1.395 39.455 38.460 -0.668 0.000 1.284 99 Y HN -0.184 nan 8.280 nan 0.000 0.466 100 D N 1.231 121.489 120.400 -0.236 0.000 2.210 100 D HA 0.243 4.887 4.640 0.007 0.000 0.249 100 D C -0.468 175.586 176.300 -0.410 0.000 1.062 100 D CA -0.022 53.878 54.000 -0.166 0.000 0.891 100 D CB 1.229 41.981 40.800 -0.079 0.000 1.186 100 D HN 0.455 nan 8.370 nan 0.000 0.432 101 F N 0.483 120.337 119.950 -0.160 0.000 2.668 101 F HA 0.114 4.645 4.527 0.007 0.000 0.301 101 F C 1.691 176.970 175.800 -0.867 0.000 1.106 101 F CA -0.248 57.487 58.000 -0.441 0.000 1.289 101 F CB 0.530 39.266 39.000 -0.440 0.000 1.006 101 F HN 0.146 nan 8.300 nan 0.000 0.535 102 E N 0.033 120.044 120.200 -0.315 0.000 2.265 102 E HA -0.147 4.207 4.350 0.007 0.000 0.196 102 E C 1.969 178.535 176.600 -0.057 0.000 0.996 102 E CA 1.292 57.628 56.400 -0.106 0.000 0.832 102 E CB -0.193 29.535 29.700 0.047 0.000 0.756 102 E HN 0.236 nan 8.360 nan 0.000 0.491 103 S N -0.399 115.234 115.700 -0.112 0.000 2.582 103 S HA 0.179 4.653 4.470 0.007 0.000 0.234 103 S C 1.486 176.068 174.600 -0.029 0.000 0.961 103 S CA -0.426 57.751 58.200 -0.040 0.000 0.953 103 S CB -0.118 63.057 63.200 -0.040 0.000 0.800 103 S HN 0.196 nan 8.310 nan 0.000 0.471 104 L N 2.130 123.308 121.223 -0.074 0.000 2.081 104 L HA -0.194 4.151 4.340 0.007 0.000 0.212 104 L C 2.426 179.354 176.870 0.096 0.000 1.080 104 L CA 1.868 56.732 54.840 0.040 0.000 0.754 104 L CB -0.640 41.449 42.059 0.050 0.000 0.893 104 L HN 0.604 nan 8.230 nan 0.000 0.433 105 N N -0.565 118.211 118.700 0.128 0.000 2.453 105 N HA -0.168 4.576 4.740 0.007 0.000 0.183 105 N C 0.573 176.127 175.510 0.073 0.000 1.041 105 N CA 0.791 53.910 53.050 0.116 0.000 0.900 105 N CB 0.158 38.724 38.487 0.132 0.000 0.961 105 N HN 0.425 nan 8.380 nan 0.000 0.443 106 D N 0.433 120.865 120.400 0.053 0.000 2.340 106 D HA 0.060 4.704 4.640 0.007 0.000 0.217 106 D C -0.129 176.185 176.300 0.022 0.000 1.081 106 D CA 0.054 54.074 54.000 0.033 0.000 0.842 106 D CB 0.805 41.619 40.800 0.023 0.000 0.934 106 D HN -0.005 nan 8.370 nan 0.000 0.511 107 V N 3.638 123.568 119.914 0.026 0.000 2.446 107 V HA 0.046 4.170 4.120 0.007 0.000 0.276 107 V C -1.276 174.828 176.094 0.017 0.000 1.030 107 V CA -0.571 61.737 62.300 0.014 0.000 1.033 107 V CB 1.124 32.958 31.823 0.018 0.000 0.993 107 V HN 0.027 nan 8.190 nan 0.000 0.477 108 P HA 0.124 nan 4.420 nan 0.000 0.257 108 P C -0.133 177.170 177.300 0.005 0.000 1.325 108 P CA 0.282 63.389 63.100 0.012 0.000 0.850 108 P CB 0.256 31.963 31.700 0.013 0.000 1.324 109 V N -3.407 116.500 119.914 -0.012 0.000 3.103 109 V HA 0.516 4.641 4.120 0.007 0.000 0.318 109 V C 0.252 176.282 176.094 -0.106 0.000 1.114 109 V CA -1.744 60.531 62.300 -0.042 0.000 1.020 109 V CB 1.577 33.379 31.823 -0.035 0.000 1.085 109 V HN -0.256 nan 8.190 nan 0.000 0.446 110 I N 1.568 122.013 120.570 -0.207 0.000 2.618 110 I HA 0.239 4.413 4.170 0.007 0.000 0.284 110 I C -0.264 175.523 176.117 -0.549 0.000 1.146 110 I CA 0.145 61.258 61.300 -0.311 0.000 1.425 110 I CB 1.084 38.908 38.000 -0.293 0.000 1.383 110 I HN 0.416 nan 8.210 nan 0.000 0.562 111 V N 5.782 125.585 119.914 -0.185 0.000 2.370 111 V HA 0.249 4.373 4.120 0.007 0.000 0.283 111 V C 0.192 176.389 176.094 0.172 0.000 1.023 111 V CA -0.471 61.810 62.300 -0.032 0.000 0.857 111 V CB 1.339 33.224 31.823 0.103 0.000 0.985 111 V HN 0.734 nan 8.190 nan 0.000 0.443 112 S N 5.485 121.385 115.700 0.332 0.000 2.562 112 S HA 0.702 5.177 4.470 0.007 0.000 0.275 112 S C -0.290 174.576 174.600 0.443 0.000 1.281 112 S CA -0.301 58.218 58.200 0.531 0.000 1.045 112 S CB 0.695 64.444 63.200 0.914 0.000 0.962 112 S HN 0.546 nan 8.310 nan 0.000 0.503 113 I N 3.184 123.944 120.570 0.316 0.000 2.447 113 I HA 0.395 4.569 4.170 0.007 0.000 0.287 113 I C -1.391 174.782 176.117 0.093 0.000 1.023 113 I CA -0.449 61.007 61.300 0.261 0.000 1.083 113 I CB 1.322 39.452 38.000 0.216 0.000 1.245 113 I HN 0.425 nan 8.210 nan 0.000 0.434 114 F N 7.076 127.100 119.950 0.124 0.000 2.427 114 F HA 0.651 5.183 4.527 0.007 0.000 0.346 114 F C -0.028 175.804 175.800 0.053 0.000 1.120 114 F CA -0.757 57.300 58.000 0.096 0.000 1.033 114 F CB 1.579 40.672 39.000 0.154 0.000 1.126 114 F HN 0.267 nan 8.300 nan 0.000 0.462 115 I N 1.718 122.333 120.570 0.075 0.000 2.692 115 I HA 0.515 4.689 4.170 0.007 0.000 0.293 115 I C -1.141 174.904 176.117 -0.120 0.000 1.200 115 I CA -0.058 61.211 61.300 -0.053 0.000 1.036 115 I CB 1.736 39.600 38.000 -0.227 0.000 1.258 115 I HN 0.421 nan 8.210 nan 0.000 0.421 116 S N 3.537 119.204 115.700 -0.055 0.000 2.651 116 S HA 0.617 5.091 4.470 0.007 0.000 0.291 116 S C -0.526 174.036 174.600 -0.063 0.000 1.141 116 S CA -0.463 57.713 58.200 -0.039 0.000 1.027 116 S CB 1.895 65.183 63.200 0.147 0.000 1.043 116 S HN 0.669 nan 8.310 nan 0.000 0.530 117 T N 1.908 116.353 114.554 -0.183 0.000 2.859 117 T HA 0.480 4.834 4.350 0.007 0.000 0.281 117 T C -0.781 173.714 174.700 -0.341 0.000 1.005 117 T CA -0.196 61.801 62.100 -0.170 0.000 1.025 117 T CB 0.670 69.414 68.868 -0.207 0.000 0.977 117 T HN 0.663 nan 8.240 nan 0.000 0.458 118 Y N 0.328 120.590 120.300 -0.063 0.000 2.858 118 Y HA 0.407 4.961 4.550 0.007 0.000 0.270 118 Y C 1.212 177.087 175.900 -0.041 0.000 1.063 118 Y CA -0.424 57.631 58.100 -0.075 0.000 1.263 118 Y CB 1.137 39.582 38.460 -0.024 0.000 1.378 118 Y HN 0.871 nan 8.280 nan 0.000 0.578 119 G N -0.250 108.602 108.800 0.087 0.000 3.409 119 G HA2 0.023 3.987 3.960 0.007 0.000 0.168 119 G HA3 0.023 3.987 3.960 0.007 0.000 0.168 119 G C -0.322 174.625 174.900 0.079 0.000 1.403 119 G CA -0.100 45.053 45.100 0.089 0.000 1.195 119 G HN -0.048 nan 8.290 nan 0.000 0.751 120 E N 1.616 121.794 120.200 -0.036 0.000 2.434 120 E HA 0.381 4.735 4.350 0.007 0.000 0.243 120 E C 0.912 177.185 176.600 -0.545 0.000 1.250 120 E CA 0.259 56.477 56.400 -0.303 0.000 1.568 120 E CB -0.410 29.127 29.700 -0.272 0.000 1.435 120 E HN 1.392 nan 8.360 nan 0.000 0.432 121 G N 2.182 110.852 108.800 -0.217 0.000 2.176 121 G HA2 -0.221 3.743 3.960 0.007 0.000 0.252 121 G HA3 -0.221 3.743 3.960 0.007 0.000 0.252 121 G C -0.129 174.767 174.900 -0.007 0.000 1.024 121 G CA 0.322 45.350 45.100 -0.120 0.000 0.755 121 G HN 0.475 nan 8.290 nan 0.000 0.507 122 D N -0.683 119.742 120.400 0.041 0.000 2.377 122 D HA 0.543 5.188 4.640 0.007 0.000 0.245 122 D C 0.976 177.491 176.300 0.357 0.000 1.196 122 D CA -0.146 53.952 54.000 0.162 0.000 0.962 122 D CB 0.391 41.252 40.800 0.101 0.000 1.127 122 D HN -0.043 nan 8.370 nan 0.000 0.471 123 F N 0.595 120.572 119.950 0.045 0.000 2.375 123 F HA 0.251 4.782 4.527 0.007 0.000 0.313 123 F C -1.389 174.484 175.800 0.122 0.000 1.176 123 F CA -2.398 55.660 58.000 0.097 0.000 1.142 123 F CB -0.724 38.337 39.000 0.101 0.000 1.275 123 F HN -0.005 nan 8.300 nan 0.000 0.544 124 P HA 0.007 nan 4.420 nan 0.000 0.266 124 P C -0.069 177.283 177.300 0.087 0.000 1.195 124 P CA 0.037 63.190 63.100 0.088 0.000 0.768 124 P CB 0.553 32.260 31.700 0.011 0.000 0.838 125 D N 1.795 122.194 120.400 -0.002 0.000 2.221 125 D HA -0.150 4.494 4.640 0.007 0.000 0.204 125 D C 2.017 178.339 176.300 0.037 0.000 0.982 125 D CA 1.555 55.568 54.000 0.021 0.000 0.857 125 D CB -1.066 39.730 40.800 -0.008 0.000 0.934 125 D HN 0.460 nan 8.370 nan 0.000 0.475 126 G N 0.126 108.943 108.800 0.029 0.000 2.443 126 G HA2 -0.047 3.917 3.960 0.007 0.000 0.219 126 G HA3 -0.047 3.917 3.960 0.007 0.000 0.219 126 G C 1.421 176.379 174.900 0.097 0.000 1.131 126 G CA 0.450 45.579 45.100 0.048 0.000 0.775 126 G HN 0.499 nan 8.290 nan 0.000 0.547 127 A N 0.189 123.099 122.820 0.150 0.000 2.411 127 A HA 0.543 4.867 4.320 0.007 0.000 0.251 127 A C 2.026 179.758 177.584 0.248 0.000 1.317 127 A CA 0.060 52.243 52.037 0.243 0.000 0.904 127 A CB -0.084 19.121 19.000 0.342 0.000 0.993 127 A HN 0.117 nan 8.150 nan 0.000 0.504 128 V N 0.924 120.921 119.914 0.138 0.000 2.278 128 V HA -0.390 3.734 4.120 0.007 0.000 0.251 128 V C 2.313 178.450 176.094 0.071 0.000 1.062 128 V CA 2.653 64.991 62.300 0.063 0.000 1.038 128 V CB -0.863 30.983 31.823 0.038 0.000 0.646 128 V HN 0.758 nan 8.190 nan 0.000 0.447 129 N N -0.980 117.806 118.700 0.143 0.000 2.166 129 N HA -0.194 4.550 4.740 0.007 0.000 0.186 129 N C 1.874 177.542 175.510 0.262 0.000 1.019 129 N CA 1.437 54.598 53.050 0.185 0.000 0.856 129 N CB -0.235 38.377 38.487 0.208 0.000 0.993 129 N HN 0.488 nan 8.380 nan 0.000 0.426 130 F N 2.441 122.461 119.950 0.116 0.000 2.171 130 F HA -0.118 4.414 4.527 0.007 0.000 0.300 130 F C 2.427 178.206 175.800 -0.036 0.000 1.090 130 F CA 1.293 59.263 58.000 -0.050 0.000 1.293 130 F CB -0.232 38.693 39.000 -0.126 0.000 1.013 130 F HN 0.024 nan 8.300 nan 0.000 0.486 131 E N -0.113 119.980 120.200 -0.179 0.000 2.047 131 E HA -0.214 4.140 4.350 0.007 0.000 0.191 131 E C 1.737 178.072 176.600 -0.441 0.000 0.987 131 E CA 1.523 57.485 56.400 -0.731 0.000 0.799 131 E CB -0.167 28.952 29.700 -0.968 0.000 0.752 131 E HN 0.323 nan 8.360 nan 0.000 0.449 132 D N -0.095 120.176 120.400 -0.215 0.000 2.221 132 D HA -0.166 4.478 4.640 0.007 0.000 0.204 132 D C 1.486 177.720 176.300 -0.110 0.000 0.982 132 D CA 0.718 54.633 54.000 -0.142 0.000 0.857 132 D CB -0.282 40.489 40.800 -0.048 0.000 0.934 132 D HN 0.226 nan 8.370 nan 0.000 0.475 133 F N 0.477 120.314 119.950 -0.188 0.000 2.187 133 F HA -0.039 4.493 4.527 0.007 0.000 0.295 133 F C 1.938 177.593 175.800 -0.243 0.000 1.091 133 F CA 0.584 58.490 58.000 -0.158 0.000 1.308 133 F CB 0.001 38.964 39.000 -0.061 0.000 1.030 133 F HN -0.194 nan 8.300 nan 0.000 0.487 134 I N -0.089 120.315 120.570 -0.277 0.000 2.315 134 I HA -0.274 3.901 4.170 0.007 0.000 0.248 134 I C 2.377 178.266 176.117 -0.379 0.000 1.117 134 I CA 1.101 62.209 61.300 -0.320 0.000 1.404 134 I CB -0.916 36.907 38.000 -0.295 0.000 1.071 134 I HN 0.252 nan 8.210 nan 0.000 0.419 135 C N 0.188 119.231 119.300 -0.428 0.000 2.467 135 C HA 0.016 4.480 4.460 0.007 0.000 0.279 135 C C 2.219 176.888 174.990 -0.535 0.000 1.347 135 C CA 0.265 58.912 59.018 -0.619 0.000 1.748 135 C CB -1.268 26.219 27.740 -0.422 0.000 1.977 135 C HN 0.493 nan 8.230 nan 0.000 0.501 136 N N 1.673 120.119 118.700 -0.424 0.000 2.467 136 N HA 0.111 4.855 4.740 0.007 0.000 0.184 136 N C 0.529 175.796 175.510 -0.406 0.000 1.106 136 N CA 0.311 53.146 53.050 -0.359 0.000 0.892 136 N CB -0.286 38.032 38.487 -0.282 0.000 0.969 136 N HN 0.475 nan 8.380 nan 0.000 0.454 137 A N 1.137 123.652 122.820 -0.508 0.000 2.515 137 A HA 0.057 4.381 4.320 0.007 0.000 0.263 137 A C 0.452 177.868 177.584 -0.280 0.000 1.096 137 A CA 0.029 51.783 52.037 -0.472 0.000 0.769 137 A CB -0.069 18.659 19.000 -0.454 0.000 1.040 137 A HN 0.230 nan 8.150 nan 0.000 0.505 138 E N 1.487 121.558 120.200 -0.215 0.000 2.312 138 E HA 0.488 4.842 4.350 0.007 0.000 0.259 138 E C 0.483 177.029 176.600 -0.091 0.000 1.122 138 E CA -0.469 55.850 56.400 -0.135 0.000 0.922 138 E CB 0.843 30.479 29.700 -0.107 0.000 1.109 138 E HN 0.813 nan 8.360 nan 0.000 0.442 139 A N 0.613 123.397 122.820 -0.060 0.000 2.567 139 A HA 0.316 4.640 4.320 0.007 0.000 0.240 139 A C 1.233 178.803 177.584 -0.023 0.000 1.053 139 A CA 0.856 52.873 52.037 -0.034 0.000 0.755 139 A CB -0.892 18.094 19.000 -0.023 0.000 0.978 139 A HN 0.822 nan 8.150 nan 0.000 0.507 140 G N 1.227 110.021 108.800 -0.009 0.000 2.245 140 G HA2 -0.108 3.857 3.960 0.007 0.000 0.264 140 G HA3 -0.108 3.857 3.960 0.007 0.000 0.264 140 G C 1.316 176.221 174.900 0.009 0.000 0.985 140 G CA 1.238 46.340 45.100 0.004 0.000 0.625 140 G HN 2.069 nan 8.290 nan 0.000 0.536 141 A N -0.333 122.481 122.820 -0.010 0.000 2.024 141 A HA 0.329 4.653 4.320 0.007 0.000 0.220 141 A C 1.870 179.484 177.584 0.050 0.000 1.164 141 A CA 1.771 53.808 52.037 0.001 0.000 0.643 141 A CB -0.187 18.772 19.000 -0.068 0.000 0.806 141 A HN 1.036 nan 8.150 nan 0.000 0.451 142 L N 0.027 121.278 121.223 0.046 0.000 3.218 142 L HA 0.113 4.457 4.340 0.007 0.000 0.279 142 L C 1.517 178.434 176.870 0.078 0.000 1.287 142 L CA 0.365 55.254 54.840 0.082 0.000 1.024 142 L CB 0.485 42.592 42.059 0.080 0.000 1.409 142 L HN 0.359 nan 8.230 nan 0.000 0.580 143 S N -1.341 114.396 115.700 0.062 0.000 2.442 143 S HA -0.087 4.387 4.470 0.007 0.000 0.236 143 S C 1.441 176.080 174.600 0.065 0.000 1.007 143 S CA 0.828 59.064 58.200 0.059 0.000 0.965 143 S CB -0.169 63.056 63.200 0.043 0.000 0.773 143 S HN 0.514 nan 8.310 nan 0.000 0.504 144 N N 1.059 119.800 118.700 0.067 0.000 2.424 144 N HA 0.158 4.902 4.740 0.007 0.000 0.178 144 N C 0.235 175.793 175.510 0.081 0.000 1.060 144 N CA 0.027 53.115 53.050 0.064 0.000 0.901 144 N CB -0.346 38.174 38.487 0.055 0.000 0.979 144 N HN 0.365 nan 8.380 nan 0.000 0.451 145 L N 2.441 123.726 121.223 0.104 0.000 2.534 145 L HA 0.068 4.412 4.340 0.007 0.000 0.271 145 L C -0.116 176.865 176.870 0.186 0.000 1.178 145 L CA 0.262 55.184 54.840 0.136 0.000 0.907 145 L CB -0.043 42.098 42.059 0.138 0.000 1.164 145 L HN -0.078 nan 8.230 nan 0.000 0.482 146 R N 5.614 126.210 120.500 0.159 0.000 2.343 146 R HA 0.546 4.890 4.340 0.007 0.000 0.320 146 R C -1.316 175.105 176.300 0.202 0.000 0.956 146 R CA -0.446 55.745 56.100 0.151 0.000 0.836 146 R CB 1.329 31.667 30.300 0.063 0.000 1.151 146 R HN 0.690 nan 8.270 nan 0.000 0.450 147 Y N 0.055 120.388 120.300 0.056 0.000 2.609 147 Y HA 0.622 5.176 4.550 0.007 0.000 0.342 147 Y C -1.264 174.706 175.900 0.116 0.000 1.058 147 Y CA -1.720 56.430 58.100 0.082 0.000 1.055 147 Y CB 1.363 39.880 38.460 0.096 0.000 1.292 147 Y HN 0.653 nan 8.280 nan 0.000 0.476 148 N N 1.655 120.460 118.700 0.174 0.000 2.405 148 N HA 0.707 5.451 4.740 0.007 0.000 0.285 148 N C -1.706 174.026 175.510 0.370 0.000 1.262 148 N CA -1.019 52.125 53.050 0.156 0.000 0.773 148 N CB 2.854 41.462 38.487 0.201 0.000 1.490 148 N HN 0.973 nan 8.380 nan 0.000 0.486 149 M N 1.058 120.866 119.600 0.347 0.000 2.433 149 M HA 0.529 5.013 4.480 0.007 0.000 0.290 149 M C -2.149 173.999 176.300 -0.252 0.000 1.173 149 M CA -0.832 54.531 55.300 0.105 0.000 0.905 149 M CB 2.047 34.748 32.600 0.169 0.000 1.692 149 M HN 0.763 nan 8.290 nan 0.000 0.462 150 F N 3.268 122.657 119.950 -0.935 0.000 2.659 150 F HA 0.709 5.241 4.527 0.008 0.000 0.342 150 F C -0.238 175.134 175.800 -0.714 0.000 1.168 150 F CA -0.392 56.835 58.000 -1.289 0.000 1.003 150 F CB 1.192 38.803 39.000 -2.316 0.000 1.267 150 F HN 0.562 nan 8.300 nan 0.000 0.463 151 G N 4.908 113.201 108.800 -0.844 0.000 2.448 151 G HA2 0.550 4.514 3.960 0.007 0.000 0.285 151 G HA3 0.550 4.514 3.960 0.007 0.000 0.285 151 G C -1.671 172.769 174.900 -0.766 0.000 1.176 151 G CA -0.574 44.148 45.100 -0.629 0.000 0.852 151 G HN 0.497 nan 8.290 nan 0.000 0.530 152 L N 1.259 122.221 121.223 -0.436 0.000 2.349 152 L HA 0.746 5.090 4.340 0.007 0.000 0.278 152 L C 0.704 177.411 176.870 -0.272 0.000 0.996 152 L CA 0.029 54.681 54.840 -0.314 0.000 0.825 152 L CB 1.710 43.721 42.059 -0.081 0.000 1.243 152 L HN 0.824 nan 8.230 nan 0.000 0.412 153 G N 1.292 109.953 108.800 -0.230 0.000 3.058 153 G HA2 0.542 4.506 3.960 0.007 0.000 0.282 153 G HA3 0.542 4.506 3.960 0.007 0.000 0.282 153 G C -1.586 173.385 174.900 0.119 0.000 1.248 153 G CA -0.354 44.656 45.100 -0.150 0.000 0.822 153 G HN 0.391 nan 8.290 nan 0.000 0.579 154 N N -0.888 118.017 118.700 0.340 0.000 2.839 154 N HA 0.131 4.875 4.740 0.007 0.000 0.258 154 N C 0.824 176.567 175.510 0.388 0.000 1.150 154 N CA 0.260 53.514 53.050 0.340 0.000 0.957 154 N CB 1.581 40.252 38.487 0.306 0.000 1.560 154 N HN 0.453 nan 8.380 nan 0.000 0.588 155 S N 0.909 116.616 115.700 0.012 0.000 2.469 155 S HA -0.096 4.378 4.470 0.007 0.000 0.238 155 S C 1.445 176.003 174.600 -0.070 0.000 0.998 155 S CA 1.250 59.292 58.200 -0.263 0.000 0.957 155 S CB -0.188 62.604 63.200 -0.680 0.000 0.764 155 S HN 0.512 nan 8.310 nan 0.000 0.514 156 T N 0.954 115.494 114.554 -0.022 0.000 3.113 156 T HA 0.173 4.527 4.350 0.007 0.000 0.263 156 T C -0.143 174.426 174.700 -0.219 0.000 1.143 156 T CA 0.561 62.588 62.100 -0.122 0.000 1.090 156 T CB -0.279 68.497 68.868 -0.153 0.000 0.922 156 T HN 0.501 nan 8.240 nan 0.000 0.521 157 Y N 0.655 120.960 120.300 0.009 0.000 2.480 157 Y HA 0.339 4.893 4.550 0.007 0.000 0.323 157 Y C 1.704 177.606 175.900 0.003 0.000 1.267 157 Y CA -1.040 57.075 58.100 0.026 0.000 1.336 157 Y CB 0.608 39.103 38.460 0.058 0.000 1.361 157 Y HN -0.103 nan 8.280 nan 0.000 0.518 158 E N 0.404 120.698 120.200 0.158 0.000 2.028 158 E HA -0.112 4.242 4.350 0.007 0.000 0.191 158 E C -0.486 175.979 176.600 -0.225 0.000 0.988 158 E CA 1.033 57.363 56.400 -0.116 0.000 0.799 158 E CB -0.003 29.569 29.700 -0.214 0.000 0.755 158 E HN 0.463 nan 8.360 nan 0.000 0.447 159 F N 0.806 120.833 119.950 0.129 0.000 2.318 159 F HA 0.222 4.753 4.527 0.007 0.000 0.356 159 F C -0.330 175.535 175.800 0.109 0.000 1.109 159 F CA -0.821 57.235 58.000 0.094 0.000 1.234 159 F CB 0.213 39.242 39.000 0.049 0.000 1.545 159 F HN -0.040 nan 8.300 nan 0.000 0.534 160 F N 4.681 124.687 119.950 0.093 0.000 2.571 160 F HA 0.007 4.538 4.527 0.007 0.000 0.390 160 F C 1.253 177.057 175.800 0.008 0.000 1.043 160 F CA 0.369 58.391 58.000 0.036 0.000 1.164 160 F CB 0.140 39.140 39.000 -0.000 0.000 1.049 160 F HN 0.541 nan 8.300 nan 0.000 0.552 161 N N 3.799 122.160 118.700 -0.565 0.000 2.735 161 N HA -0.194 4.550 4.740 0.007 0.000 0.248 161 N C 1.215 176.545 175.510 -0.300 0.000 1.083 161 N CA 0.653 53.339 53.050 -0.606 0.000 0.703 161 N CB -0.930 36.961 38.487 -0.994 0.000 1.005 161 N HN 0.957 nan 8.380 nan 0.000 0.550 162 G N 0.032 108.756 108.800 -0.125 0.000 2.442 162 G HA2 -0.105 3.859 3.960 0.007 0.000 0.219 162 G HA3 -0.105 3.859 3.960 0.007 0.000 0.219 162 G C 1.549 176.407 174.900 -0.071 0.000 1.141 162 G CA 1.504 46.575 45.100 -0.049 0.000 0.763 162 G HN 0.572 nan 8.290 nan 0.000 0.554 163 A N 1.360 124.123 122.820 -0.095 0.000 1.845 163 A HA 0.255 4.579 4.320 0.007 0.000 0.215 163 A C 2.853 180.318 177.584 -0.198 0.000 1.195 163 A CA 2.479 54.457 52.037 -0.099 0.000 0.616 163 A CB -1.033 17.803 19.000 -0.274 0.000 0.832 163 A HN 0.870 nan 8.150 nan 0.000 0.443 164 A N -0.630 122.025 122.820 -0.274 0.000 2.019 164 A HA -0.141 4.183 4.320 0.007 0.000 0.219 164 A C 2.097 179.580 177.584 -0.169 0.000 1.164 164 A CA 1.850 53.740 52.037 -0.245 0.000 0.644 164 A CB -0.387 18.425 19.000 -0.313 0.000 0.805 164 A HN 0.575 nan 8.150 nan 0.000 0.449 165 K N -0.298 120.003 120.400 -0.165 0.000 2.031 165 K HA -0.115 4.209 4.320 0.007 0.000 0.205 165 K C 2.234 178.756 176.600 -0.130 0.000 1.049 165 K CA 1.430 57.641 56.287 -0.126 0.000 0.939 165 K CB -0.142 32.293 32.500 -0.108 0.000 0.717 165 K HN 0.532 nan 8.250 nan 0.000 0.438 166 K N 1.270 121.595 120.400 -0.125 0.000 2.002 166 K HA -0.156 4.168 4.320 0.007 0.000 0.209 166 K C 2.173 178.600 176.600 -0.288 0.000 1.048 166 K CA 1.449 57.603 56.287 -0.221 0.000 0.930 166 K CB -0.203 32.261 32.500 -0.060 0.000 0.714 166 K HN 0.089 nan 8.250 nan 0.000 0.438 167 A N 1.839 124.634 122.820 -0.042 0.000 1.892 167 A HA -0.239 4.086 4.320 0.007 0.000 0.218 167 A C 2.156 179.703 177.584 -0.063 0.000 1.188 167 A CA 1.977 54.023 52.037 0.014 0.000 0.631 167 A CB -0.711 18.294 19.000 0.008 0.000 0.822 167 A HN 0.548 nan 8.150 nan 0.000 0.447 168 E N -0.089 120.079 120.200 -0.054 0.000 2.106 168 E HA -0.181 4.173 4.350 0.007 0.000 0.192 168 E C 2.056 178.652 176.600 -0.005 0.000 0.984 168 E CA 1.332 57.750 56.400 0.030 0.000 0.806 168 E CB -0.246 29.487 29.700 0.056 0.000 0.750 168 E HN 0.661 nan 8.360 nan 0.000 0.458 169 K N -0.372 119.958 120.400 -0.117 0.000 2.063 169 K HA -0.195 4.129 4.320 0.007 0.000 0.208 169 K C 2.107 178.678 176.600 -0.049 0.000 1.048 169 K CA 1.535 57.745 56.287 -0.128 0.000 0.928 169 K CB -0.108 32.242 32.500 -0.251 0.000 0.713 169 K HN 0.204 nan 8.250 nan 0.000 0.442 170 H N 0.315 119.361 119.070 -0.039 0.000 2.403 170 H HA -0.025 4.535 4.556 0.007 0.000 0.298 170 H C 2.152 177.428 175.328 -0.087 0.000 1.059 170 H CA 0.917 56.918 56.048 -0.078 0.000 1.363 170 H CB -0.258 29.434 29.762 -0.117 0.000 1.410 170 H HN 0.148 nan 8.280 nan 0.000 0.528 171 L N 0.605 121.840 121.223 0.020 0.000 1.994 171 L HA -0.197 4.147 4.340 0.007 0.000 0.208 171 L C 2.680 179.581 176.870 0.053 0.000 1.071 171 L CA 1.775 56.577 54.840 -0.064 0.000 0.745 171 L CB -0.445 41.414 42.059 -0.334 0.000 0.892 171 L HN 0.313 nan 8.230 nan 0.000 0.431 172 S N -0.159 115.611 115.700 0.117 0.000 2.368 172 S HA -0.149 4.325 4.470 0.007 0.000 0.224 172 S C 2.185 176.828 174.600 0.071 0.000 1.029 172 S CA 0.754 59.029 58.200 0.124 0.000 0.988 172 S CB -0.652 62.618 63.200 0.117 0.000 0.838 172 S HN 0.353 nan 8.310 nan 0.000 0.462 173 A N 2.196 125.052 122.820 0.059 0.000 1.948 173 A HA 0.152 4.476 4.320 0.007 0.000 0.220 173 A C 2.351 179.946 177.584 0.019 0.000 1.177 173 A CA 1.906 53.968 52.037 0.042 0.000 0.636 173 A CB -1.325 17.714 19.000 0.065 0.000 0.815 173 A HN 0.993 nan 8.150 nan 0.000 0.449 174 A N -2.401 120.425 122.820 0.009 0.000 2.251 174 A HA 0.435 4.760 4.320 0.007 0.000 0.209 174 A C 1.689 179.282 177.584 0.016 0.000 1.187 174 A CA 1.141 53.169 52.037 -0.014 0.000 0.823 174 A CB -0.757 18.208 19.000 -0.059 0.000 0.846 174 A HN 1.914 nan 8.150 nan 0.000 0.486 175 G N -2.123 106.702 108.800 0.042 0.000 2.179 175 G HA2 0.130 4.094 3.960 0.007 0.000 0.220 175 G HA3 0.130 4.094 3.960 0.007 0.000 0.220 175 G C 0.443 175.397 174.900 0.090 0.000 0.990 175 G CA 0.056 45.190 45.100 0.056 0.000 0.646 175 G HN 1.522 nan 8.290 nan 0.000 0.517 176 A N 0.020 122.915 122.820 0.126 0.000 2.425 176 A HA 0.667 4.991 4.320 0.007 0.000 0.249 176 A C 0.213 177.960 177.584 0.273 0.000 1.084 176 A CA 0.240 52.408 52.037 0.218 0.000 0.781 176 A CB 0.233 19.375 19.000 0.237 0.000 1.019 176 A HN 0.796 nan 8.150 nan 0.000 0.490 177 I N 2.096 122.791 120.570 0.209 0.000 2.304 177 I HA 0.279 4.453 4.170 0.007 0.000 0.291 177 I C 0.874 176.915 176.117 -0.127 0.000 1.018 177 I CA 0.080 61.422 61.300 0.070 0.000 1.260 177 I CB 1.156 39.173 38.000 0.028 0.000 1.390 177 I HN 0.693 nan 8.210 nan 0.000 0.475 178 R N 6.543 126.829 120.500 -0.356 0.000 2.438 178 R HA 0.519 4.863 4.340 0.007 0.000 0.287 178 R C -1.085 175.023 176.300 -0.321 0.000 1.077 178 R CA -0.449 55.206 56.100 -0.743 0.000 1.034 178 R CB 0.552 30.448 30.300 -0.673 0.000 0.993 178 R HN 0.589 nan 8.270 nan 0.000 0.459 179 L N 4.281 125.342 121.223 -0.269 0.000 2.309 179 L HA 0.511 4.855 4.340 0.007 0.000 0.282 179 L C 0.893 177.699 176.870 -0.106 0.000 1.036 179 L CA -0.293 54.471 54.840 -0.127 0.000 0.806 179 L CB 1.505 43.525 42.059 -0.065 0.000 1.220 179 L HN 1.006 nan 8.230 nan 0.000 0.429 180 G N 2.571 111.320 108.800 -0.085 0.000 2.750 180 G HA2 -0.220 3.744 3.960 0.007 0.000 0.228 180 G HA3 -0.220 3.744 3.960 0.007 0.000 0.228 180 G C -0.541 174.339 174.900 -0.033 0.000 1.367 180 G CA -0.312 44.738 45.100 -0.084 0.000 0.871 180 G HN 0.822 nan 8.290 nan 0.000 0.560 181 K N -0.704 119.696 120.400 -0.000 0.000 2.202 181 K HA 0.636 4.960 4.320 0.007 0.000 0.264 181 K C 0.205 176.939 176.600 0.224 0.000 1.010 181 K CA -0.927 55.410 56.287 0.085 0.000 0.940 181 K CB 1.374 33.931 32.500 0.096 0.000 0.983 181 K HN 0.725 nan 8.250 nan 0.000 0.475 182 L N 2.060 123.370 121.223 0.146 0.000 2.361 182 L HA 0.263 4.607 4.340 0.007 0.000 0.278 182 L C 0.025 176.939 176.870 0.073 0.000 1.113 182 L CA 0.575 55.483 54.840 0.114 0.000 0.849 182 L CB 0.375 42.442 42.059 0.014 0.000 1.155 182 L HN 0.820 nan 8.230 nan 0.000 0.452 183 G N 4.136 112.892 108.800 -0.074 0.000 2.420 183 G HA2 0.494 4.458 3.960 0.007 0.000 0.284 183 G HA3 0.494 4.458 3.960 0.007 0.000 0.284 183 G C -0.789 173.729 174.900 -0.637 0.000 1.177 183 G CA -0.416 44.487 45.100 -0.328 0.000 0.841 183 G HN 0.736 nan 8.290 nan 0.000 0.527 184 E N 0.553 120.422 120.200 -0.551 0.000 2.768 184 E HA 0.385 4.739 4.350 0.007 0.000 0.290 184 E C -0.056 176.313 176.600 -0.385 0.000 1.100 184 E CA -0.562 55.508 56.400 -0.550 0.000 0.768 184 E CB 1.451 30.960 29.700 -0.319 0.000 1.501 184 E HN 0.690 nan 8.360 nan 0.000 0.384 185 A N 2.159 124.597 122.820 -0.637 0.000 2.511 185 A HA 0.123 4.447 4.320 0.007 0.000 0.242 185 A C -0.045 177.558 177.584 0.032 0.000 1.069 185 A CA 0.176 52.074 52.037 -0.231 0.000 0.763 185 A CB 0.325 19.197 19.000 -0.213 0.000 1.001 185 A HN 0.439 nan 8.150 nan 0.000 0.498 186 D N 1.333 121.820 120.400 0.146 0.000 2.461 186 D HA 0.260 4.904 4.640 0.007 0.000 0.240 186 D C 0.302 176.666 176.300 0.107 0.000 1.094 186 D CA -0.287 53.839 54.000 0.210 0.000 0.868 186 D CB 1.199 42.033 40.800 0.056 0.000 1.062 186 D HN 0.520 nan 8.370 nan 0.000 0.530 187 D N 1.816 122.288 120.400 0.119 0.000 2.269 187 D HA -0.019 4.625 4.640 0.007 0.000 0.208 187 D C 2.013 178.358 176.300 0.075 0.000 0.963 187 D CA 1.110 55.167 54.000 0.094 0.000 0.864 187 D CB 0.209 41.066 40.800 0.095 0.000 0.936 187 D HN 0.570 nan 8.370 nan 0.000 0.505 188 G N -0.066 108.772 108.800 0.063 0.000 2.422 188 G HA2 -0.113 3.851 3.960 0.007 0.000 0.218 188 G HA3 -0.113 3.851 3.960 0.007 0.000 0.218 188 G C 1.469 176.357 174.900 -0.021 0.000 1.140 188 G CA 0.740 45.848 45.100 0.014 0.000 0.775 188 G HN 0.350 nan 8.290 nan 0.000 0.545 189 A N -0.421 122.382 122.820 -0.029 0.000 2.238 189 A HA 0.483 4.807 4.320 0.007 0.000 0.210 189 A C 1.978 179.565 177.584 0.005 0.000 1.179 189 A CA 1.210 53.229 52.037 -0.030 0.000 0.827 189 A CB -0.331 18.638 19.000 -0.051 0.000 0.856 189 A HN 1.526 nan 8.150 nan 0.000 0.488 190 G N -0.427 108.389 108.800 0.027 0.000 2.160 190 G HA2 -0.304 3.660 3.960 0.007 0.000 0.251 190 G HA3 -0.304 3.660 3.960 0.007 0.000 0.251 190 G C 0.737 175.673 174.900 0.059 0.000 1.008 190 G CA 1.312 46.439 45.100 0.046 0.000 0.724 190 G HN 1.195 nan 8.290 nan 0.000 0.514 191 T N -3.750 110.841 114.554 0.060 0.000 3.069 191 T HA 0.211 4.566 4.350 0.007 0.000 0.252 191 T C 2.062 176.822 174.700 0.100 0.000 1.053 191 T CA 1.331 63.474 62.100 0.072 0.000 0.964 191 T CB 0.123 69.025 68.868 0.057 0.000 1.005 191 T HN 0.179 nan 8.240 nan 0.000 0.532 192 T N 2.509 117.126 114.554 0.105 0.000 2.685 192 T HA -0.176 4.178 4.350 0.007 0.000 0.268 192 T C 1.582 176.343 174.700 0.102 0.000 1.034 192 T CA 2.056 64.218 62.100 0.102 0.000 1.149 192 T CB -0.557 68.376 68.868 0.109 0.000 0.860 192 T HN 0.476 nan 8.240 nan 0.000 0.449 193 D N 0.367 120.869 120.400 0.169 0.000 2.097 193 D HA -0.070 4.574 4.640 0.007 0.000 0.197 193 D C 2.377 178.817 176.300 0.234 0.000 0.984 193 D CA 0.824 54.976 54.000 0.253 0.000 0.826 193 D CB -0.001 40.958 40.800 0.265 0.000 0.973 193 D HN 0.222 nan 8.370 nan 0.000 0.460 194 E N 0.397 120.698 120.200 0.169 0.000 2.106 194 E HA -0.129 4.225 4.350 0.007 0.000 0.192 194 E C 1.636 178.325 176.600 0.148 0.000 0.984 194 E CA 0.736 57.219 56.400 0.139 0.000 0.806 194 E CB -0.166 29.595 29.700 0.102 0.000 0.750 194 E HN 0.426 nan 8.360 nan 0.000 0.458 195 D N 0.200 120.703 120.400 0.171 0.000 2.104 195 D HA -0.187 4.457 4.640 0.007 0.000 0.194 195 D C 1.855 178.365 176.300 0.351 0.000 0.994 195 D CA 0.976 55.111 54.000 0.226 0.000 0.830 195 D CB -0.513 40.404 40.800 0.196 0.000 0.959 195 D HN 0.252 nan 8.370 nan 0.000 0.452 196 Y N 1.117 121.508 120.300 0.151 0.000 2.145 196 Y HA -0.210 4.344 4.550 0.006 0.000 0.286 196 Y C 2.251 178.191 175.900 0.067 0.000 1.145 196 Y CA 1.482 59.491 58.100 -0.151 0.000 1.148 196 Y CB -0.276 37.853 38.460 -0.553 0.000 0.981 196 Y HN -0.180 nan 8.280 nan 0.000 0.507 197 M N 0.395 119.961 119.600 -0.057 0.000 2.073 197 M HA -0.268 4.216 4.480 0.007 0.000 0.258 197 M C 2.489 178.730 176.300 -0.098 0.000 1.070 197 M CA 1.955 57.190 55.300 -0.109 0.000 1.103 197 M CB -1.784 30.852 32.600 0.060 0.000 1.321 197 M HN 0.513 nan 8.290 nan 0.000 0.405 198 A N -1.033 121.794 122.820 0.013 0.000 1.877 198 A HA -0.231 4.093 4.320 0.007 0.000 0.216 198 A C 2.022 179.632 177.584 0.043 0.000 1.186 198 A CA 1.669 53.729 52.037 0.038 0.000 0.620 198 A CB -1.320 17.732 19.000 0.085 0.000 0.822 198 A HN 0.701 nan 8.150 nan 0.000 0.443 199 W N 0.965 122.203 121.300 -0.104 0.000 2.355 199 W HA -0.168 4.496 4.660 0.007 0.000 0.309 199 W C 2.271 178.675 176.519 -0.192 0.000 1.206 199 W CA 2.214 59.499 57.345 -0.100 0.000 1.284 199 W CB -0.027 29.435 29.460 0.003 0.000 1.145 199 W HN 0.291 nan 8.180 nan 0.000 0.502 200 K N 0.334 120.598 120.400 -0.226 0.000 2.009 200 K HA -0.236 4.088 4.320 0.007 0.000 0.210 200 K C 1.626 178.104 176.600 -0.203 0.000 1.049 200 K CA 2.193 58.298 56.287 -0.303 0.000 0.929 200 K CB -0.805 31.454 32.500 -0.401 0.000 0.714 200 K HN 0.014 nan 8.250 nan 0.000 0.440 201 D N 0.532 120.839 120.400 -0.156 0.000 2.149 201 D HA -0.182 4.462 4.640 0.007 0.000 0.194 201 D C 1.976 178.205 176.300 -0.118 0.000 1.001 201 D CA 1.477 55.417 54.000 -0.099 0.000 0.849 201 D CB -0.461 40.299 40.800 -0.067 0.000 0.939 201 D HN 0.282 nan 8.370 nan 0.000 0.449 202 S N 0.009 115.604 115.700 -0.175 0.000 2.351 202 S HA -0.144 4.330 4.470 0.007 0.000 0.220 202 S C 2.004 176.458 174.600 -0.243 0.000 1.035 202 S CA 0.801 58.883 58.200 -0.196 0.000 1.031 202 S CB -0.205 62.864 63.200 -0.217 0.000 0.928 202 S HN 0.087 nan 8.310 nan 0.000 0.433 203 I N 1.881 122.187 120.570 -0.440 0.000 2.361 203 I HA -0.099 4.075 4.170 0.007 0.000 0.251 203 I C 2.255 178.324 176.117 -0.081 0.000 1.133 203 I CA 1.047 62.126 61.300 -0.369 0.000 1.413 203 I CB -1.323 36.235 38.000 -0.736 0.000 1.073 203 I HN 0.399 nan 8.210 nan 0.000 0.424 204 L N 0.044 121.261 121.223 -0.010 0.000 2.131 204 L HA -0.181 4.164 4.340 0.007 0.000 0.210 204 L C 2.520 179.458 176.870 0.114 0.000 1.092 204 L CA 1.071 55.993 54.840 0.136 0.000 0.759 204 L CB -0.505 41.607 42.059 0.089 0.000 0.903 204 L HN 0.224 nan 8.230 nan 0.000 0.435 205 E N -0.058 120.153 120.200 0.018 0.000 2.072 205 E HA -0.133 4.221 4.350 0.007 0.000 0.190 205 E C 2.408 178.998 176.600 -0.017 0.000 0.982 205 E CA 0.906 57.309 56.400 0.004 0.000 0.803 205 E CB -0.402 29.286 29.700 -0.021 0.000 0.755 205 E HN 0.261 nan 8.360 nan 0.000 0.453 206 V N 1.644 121.534 119.914 -0.041 0.000 2.332 206 V HA -0.232 3.893 4.120 0.007 0.000 0.248 206 V C 2.489 178.559 176.094 -0.039 0.000 1.055 206 V CA 1.368 63.641 62.300 -0.046 0.000 1.038 206 V CB -0.455 31.329 31.823 -0.066 0.000 0.651 206 V HN 0.183 nan 8.190 nan 0.000 0.450 207 L N -0.858 120.349 121.223 -0.027 0.000 2.109 207 L HA -0.140 4.204 4.340 0.007 0.000 0.207 207 L C 2.536 179.270 176.870 -0.227 0.000 1.086 207 L CA 1.391 56.182 54.840 -0.082 0.000 0.760 207 L CB -0.549 41.490 42.059 -0.033 0.000 0.910 207 L HN 0.242 nan 8.230 nan 0.000 0.437 208 K N -0.001 120.290 120.400 -0.181 0.000 2.127 208 K HA -0.228 4.096 4.320 0.007 0.000 0.208 208 K C 1.556 178.076 176.600 -0.132 0.000 1.047 208 K CA 1.779 57.958 56.287 -0.180 0.000 0.927 208 K CB -0.118 32.373 32.500 -0.016 0.000 0.716 208 K HN 0.340 nan 8.250 nan 0.000 0.450 209 D N -0.007 120.340 120.400 -0.088 0.000 2.183 209 D HA -0.080 4.564 4.640 0.007 0.000 0.205 209 D C 1.849 178.108 176.300 -0.068 0.000 0.962 209 D CA 0.680 54.642 54.000 -0.064 0.000 0.849 209 D CB 0.048 40.822 40.800 -0.043 0.000 0.978 209 D HN 0.114 nan 8.370 nan 0.000 0.488 210 E N 0.462 120.619 120.200 -0.072 0.000 2.106 210 E HA -0.034 4.320 4.350 0.007 0.000 0.192 210 E C 2.014 178.576 176.600 -0.064 0.000 0.984 210 E CA 0.493 56.863 56.400 -0.051 0.000 0.806 210 E CB 0.102 29.786 29.700 -0.026 0.000 0.750 210 E HN 0.329 nan 8.360 nan 0.000 0.458 211 L N -0.507 120.643 121.223 -0.123 0.000 2.607 211 L HA 0.208 4.552 4.340 0.007 0.000 0.228 211 L C 1.174 177.967 176.870 -0.129 0.000 1.123 211 L CA 0.128 54.888 54.840 -0.134 0.000 0.890 211 L CB -0.048 41.867 42.059 -0.239 0.000 1.103 211 L HN 0.076 nan 8.230 nan 0.000 0.468 212 G N 1.083 109.813 108.800 -0.116 0.000 2.749 212 G HA2 -0.098 3.866 3.960 0.007 0.000 0.242 212 G HA3 -0.098 3.866 3.960 0.007 0.000 0.242 212 G C 0.044 174.873 174.900 -0.118 0.000 1.364 212 G CA 0.388 45.434 45.100 -0.089 0.000 0.888 212 G HN 1.143 nan 8.290 nan 0.000 0.566 213 V N -5.686 114.192 119.914 -0.060 0.000 3.659 213 V HA 0.143 4.267 4.120 0.007 0.000 0.522 213 V C -0.341 175.756 176.094 0.004 0.000 0.682 213 V CA 1.421 63.706 62.300 -0.026 0.000 2.079 213 V CB -0.843 30.962 31.823 -0.029 0.000 2.491 213 V HN 2.355 nan 8.190 nan 0.000 0.514 214 E N 1.182 121.427 120.200 0.075 0.000 2.299 214 E HA 0.825 5.179 4.350 0.007 0.000 0.265 214 E C 0.082 176.798 176.600 0.193 0.000 0.911 214 E CA -0.486 55.984 56.400 0.117 0.000 0.789 214 E CB 2.069 31.825 29.700 0.094 0.000 1.246 214 E HN 1.909 nan 8.360 nan 0.000 0.427 215 A N 1.532 124.463 122.820 0.185 0.000 2.347 215 A HA 0.281 4.605 4.320 0.007 0.000 0.287 215 A C 0.205 177.796 177.584 0.011 0.000 1.199 215 A CA -0.300 51.797 52.037 0.100 0.000 0.851 215 A CB -0.436 18.570 19.000 0.008 0.000 1.118 215 A HN 0.469 nan 8.150 nan 0.000 0.525 216 T N 2.150 116.695 114.554 -0.016 0.000 2.718 216 T HA 0.329 4.683 4.350 0.007 0.000 0.265 216 T C 1.049 175.707 174.700 -0.071 0.000 1.014 216 T CA 1.916 63.987 62.100 -0.049 0.000 1.172 216 T CB -0.246 68.582 68.868 -0.066 0.000 1.007 216 T HN 2.139 nan 8.240 nan 0.000 0.500 217 G N 3.094 111.855 108.800 -0.064 0.000 2.898 217 G HA2 0.010 3.974 3.960 0.007 0.000 0.267 217 G HA3 0.010 3.974 3.960 0.007 0.000 0.267 217 G C -0.606 174.265 174.900 -0.048 0.000 1.061 217 G CA -0.631 44.431 45.100 -0.063 0.000 1.230 217 G HN 0.725 nan 8.290 nan 0.000 0.569 218 E N 0.021 120.193 120.200 -0.046 0.000 3.097 218 E HA 0.157 4.511 4.350 0.007 0.000 0.325 218 E C -0.915 175.664 176.600 -0.035 0.000 1.093 218 E CA -0.550 55.836 56.400 -0.024 0.000 0.893 218 E CB 1.062 30.766 29.700 0.007 0.000 1.209 218 E HN 0.520 nan 8.360 nan 0.000 0.462 219 E N 0.818 121.006 120.200 -0.019 0.000 2.518 219 E HA 0.149 4.503 4.350 0.007 0.000 0.240 219 E C -0.294 176.343 176.600 0.062 0.000 0.996 219 E CA -0.266 56.127 56.400 -0.012 0.000 0.768 219 E CB 1.100 30.761 29.700 -0.065 0.000 1.329 219 E HN 0.362 nan 8.360 nan 0.000 0.408 220 S N 0.934 116.711 115.700 0.129 0.000 3.593 220 S HA 0.005 4.479 4.470 0.007 0.000 0.224 220 S C 0.375 175.063 174.600 0.147 0.000 1.333 220 S CA -0.720 57.551 58.200 0.118 0.000 1.164 220 S CB -0.782 62.483 63.200 0.110 0.000 1.281 220 S HN 0.296 nan 8.310 nan 0.000 0.457 221 S N 1.629 117.414 115.700 0.142 0.000 2.465 221 S HA 0.555 5.029 4.470 0.007 0.000 0.279 221 S C -0.131 174.530 174.600 0.102 0.000 1.201 221 S CA -0.927 57.377 58.200 0.173 0.000 1.053 221 S CB 0.097 63.401 63.200 0.173 0.000 0.953 221 S HN 0.550 nan 8.310 nan 0.000 0.488 222 I N 3.513 124.137 120.570 0.090 0.000 2.312 222 I HA 0.346 4.520 4.170 0.007 0.000 0.290 222 I C 0.405 176.539 176.117 0.029 0.000 1.008 222 I CA -0.821 60.500 61.300 0.034 0.000 1.226 222 I CB 0.783 38.787 38.000 0.006 0.000 1.371 222 I HN 0.372 nan 8.210 nan 0.000 0.468 223 R N 4.580 125.066 120.500 -0.023 0.000 2.248 223 R HA 0.105 4.449 4.340 0.007 0.000 0.328 223 R C 0.663 176.919 176.300 -0.074 0.000 1.067 223 R CA -0.149 55.911 56.100 -0.066 0.000 0.924 223 R CB 1.134 31.364 30.300 -0.116 0.000 1.013 223 R HN 0.598 nan 8.270 nan 0.000 0.454 224 Q N 2.210 121.957 119.800 -0.087 0.000 2.245 224 Q HA 0.016 4.360 4.340 0.007 0.000 0.201 224 Q C -0.451 175.247 176.000 -0.502 0.000 0.955 224 Q CA 1.427 57.043 55.803 -0.310 0.000 0.870 224 Q CB 0.308 28.804 28.738 -0.403 0.000 0.945 224 Q HN 0.501 nan 8.270 nan 0.000 0.461 225 Y N -0.944 119.336 120.300 -0.033 0.000 2.602 225 Y HA 0.517 5.071 4.550 0.006 0.000 0.342 225 Y C -0.529 175.351 175.900 -0.033 0.000 1.029 225 Y CA -1.281 56.795 58.100 -0.040 0.000 1.080 225 Y CB 1.634 40.068 38.460 -0.043 0.000 1.284 225 Y HN -0.218 nan 8.280 nan 0.000 0.485 226 E N 0.997 121.289 120.200 0.153 0.000 2.238 226 E HA 0.455 4.809 4.350 0.007 0.000 0.267 226 E C -1.835 174.816 176.600 0.084 0.000 0.887 226 E CA -1.096 55.352 56.400 0.081 0.000 0.769 226 E CB 2.063 31.788 29.700 0.041 0.000 1.187 226 E HN 0.555 nan 8.360 nan 0.000 0.416 227 L N 4.028 125.292 121.223 0.069 0.000 2.349 227 L HA 0.365 4.709 4.340 0.007 0.000 0.275 227 L C -1.358 175.529 176.870 0.028 0.000 1.115 227 L CA -0.106 54.776 54.840 0.069 0.000 0.820 227 L CB 1.274 43.388 42.059 0.091 0.000 1.135 227 L HN 0.292 nan 8.230 nan 0.000 0.445 228 V N 5.683 125.597 119.914 0.000 0.000 2.569 228 V HA 0.323 4.448 4.120 0.007 0.000 0.301 228 V C -0.588 175.407 176.094 -0.166 0.000 1.044 228 V CA -0.781 61.461 62.300 -0.097 0.000 0.874 228 V CB 1.935 33.670 31.823 -0.147 0.000 1.002 228 V HN 0.473 nan 8.190 nan 0.000 0.424 229 V N 4.470 124.296 119.914 -0.146 0.000 2.408 229 V HA 0.248 4.372 4.120 0.007 0.000 0.267 229 V C 0.109 176.094 176.094 -0.182 0.000 1.047 229 V CA -0.410 61.828 62.300 -0.102 0.000 0.937 229 V CB 0.489 32.299 31.823 -0.021 0.000 0.999 229 V HN 0.896 nan 8.190 nan 0.000 0.472 230 H N 2.757 121.819 119.070 -0.013 0.000 2.745 230 H HA 0.141 4.701 4.556 0.007 0.000 0.235 230 H C 1.620 176.942 175.328 -0.010 0.000 1.815 230 H CA 0.269 56.311 56.048 -0.010 0.000 1.321 230 H CB 0.197 29.949 29.762 -0.017 0.000 1.716 230 H HN 0.832 nan 8.280 nan 0.000 0.546 231 T N -2.416 112.173 114.554 0.058 0.000 3.072 231 T HA -0.095 4.260 4.350 0.007 0.000 0.266 231 T C 0.637 175.363 174.700 0.044 0.000 1.127 231 T CA 0.374 62.500 62.100 0.043 0.000 1.107 231 T CB 0.261 69.144 68.868 0.025 0.000 0.910 231 T HN 0.271 nan 8.240 nan 0.000 0.513 232 D N -0.044 120.390 120.400 0.057 0.000 2.620 232 D HA 0.674 5.318 4.640 0.007 0.000 0.252 232 D C -1.445 174.893 176.300 0.062 0.000 1.207 232 D CA -0.630 53.398 54.000 0.046 0.000 0.884 232 D CB 1.642 42.461 40.800 0.033 0.000 1.262 232 D HN 0.266 nan 8.370 nan 0.000 0.552 233 I N 2.398 122.990 120.570 0.037 0.000 2.763 233 I HA 0.159 4.333 4.170 0.007 0.000 0.292 233 I C -1.688 174.422 176.117 -0.012 0.000 1.610 233 I CA -0.608 60.700 61.300 0.013 0.000 1.002 233 I CB 1.930 39.928 38.000 -0.005 0.000 1.416 233 I HN 0.239 nan 8.210 nan 0.000 0.479 234 D N 6.189 126.573 120.400 -0.027 0.000 2.264 234 D HA 0.381 5.026 4.640 0.007 0.000 0.249 234 D C 0.759 177.030 176.300 -0.048 0.000 1.070 234 D CA 0.224 54.205 54.000 -0.031 0.000 0.912 234 D CB 2.144 42.927 40.800 -0.028 0.000 1.193 234 D HN 0.713 nan 8.370 nan 0.000 0.427 235 A N 3.042 125.837 122.820 -0.042 0.000 2.024 235 A HA -0.055 4.269 4.320 0.007 0.000 0.220 235 A C 2.154 179.693 177.584 -0.075 0.000 1.164 235 A CA 2.013 54.019 52.037 -0.051 0.000 0.643 235 A CB -0.807 18.171 19.000 -0.037 0.000 0.806 235 A HN 0.755 nan 8.150 nan 0.000 0.451 236 A N -0.313 122.463 122.820 -0.074 0.000 2.019 236 A HA -0.128 4.196 4.320 0.007 0.000 0.219 236 A C 1.983 179.488 177.584 -0.133 0.000 1.164 236 A CA 1.623 53.604 52.037 -0.092 0.000 0.644 236 A CB -0.301 18.657 19.000 -0.071 0.000 0.805 236 A HN 0.544 nan 8.150 nan 0.000 0.449 237 K N -0.645 119.679 120.400 -0.128 0.000 2.444 237 K HA 0.200 4.524 4.320 0.007 0.000 0.193 237 K C -0.563 175.919 176.600 -0.197 0.000 1.024 237 K CA 0.002 56.192 56.287 -0.161 0.000 1.077 237 K CB 0.431 32.853 32.500 -0.130 0.000 0.833 237 K HN 0.266 nan 8.250 nan 0.000 0.517 238 V N 1.920 121.734 119.914 -0.167 0.000 2.398 238 V HA 0.162 4.286 4.120 0.007 0.000 0.286 238 V C -0.333 175.689 176.094 -0.120 0.000 1.026 238 V CA -0.931 61.299 62.300 -0.116 0.000 0.868 238 V CB 0.459 32.241 31.823 -0.068 0.000 0.982 238 V HN 0.084 nan 8.190 nan 0.000 0.443 239 Y N 4.959 125.213 120.300 -0.076 0.000 2.610 239 Y HA 0.120 4.674 4.550 0.007 0.000 0.332 239 Y C 1.272 177.141 175.900 -0.052 0.000 1.201 239 Y CA 0.285 58.355 58.100 -0.050 0.000 1.465 239 Y CB 0.727 39.200 38.460 0.021 0.000 1.283 239 Y HN 0.495 nan 8.280 nan 0.000 0.563 240 M N 2.319 121.933 119.600 0.024 0.000 2.412 240 M HA 0.263 4.748 4.480 0.007 0.000 0.315 240 M C 1.082 177.183 176.300 -0.332 0.000 1.092 240 M CA 0.633 55.871 55.300 -0.103 0.000 0.974 240 M CB 0.374 32.904 32.600 -0.117 0.000 1.437 240 M HN 1.020 nan 8.290 nan 0.000 0.524 241 G N 1.210 109.780 108.800 -0.382 0.000 2.205 241 G HA2 -0.141 3.823 3.960 0.007 0.000 0.180 241 G HA3 -0.141 3.823 3.960 0.007 0.000 0.180 241 G C -0.052 174.444 174.900 -0.672 0.000 1.004 241 G CA -0.113 44.445 45.100 -0.904 0.000 0.670 241 G HN 0.490 nan 8.290 nan 0.000 0.496 242 E N 0.117 119.914 120.200 -0.672 0.000 2.371 242 E HA 0.597 4.951 4.350 0.007 0.000 0.257 242 E C 1.031 177.448 176.600 -0.304 0.000 1.134 242 E CA -0.470 55.222 56.400 -1.179 0.000 0.919 242 E CB 1.151 30.234 29.700 -1.028 0.000 1.025 242 E HN 0.110 nan 8.360 nan 0.000 0.438 243 M N 0.594 120.055 119.600 -0.232 0.000 2.571 243 M HA 0.234 4.719 4.480 0.007 0.000 0.259 243 M C 0.843 177.062 176.300 -0.136 0.000 1.205 243 M CA 1.121 56.314 55.300 -0.178 0.000 1.138 243 M CB 0.444 32.902 32.600 -0.238 0.000 1.329 243 M HN 0.703 nan 8.290 nan 0.000 0.503 244 G N -0.956 107.839 108.800 -0.007 0.000 3.110 244 G HA2 0.315 4.280 3.960 0.007 0.000 0.207 244 G HA3 0.315 4.280 3.960 0.007 0.000 0.207 244 G C -0.404 174.558 174.900 0.104 0.000 1.841 244 G CA -0.654 44.459 45.100 0.021 0.000 0.751 244 G HN 0.144 nan 8.290 nan 0.000 0.771 245 R N 0.123 120.672 120.500 0.081 0.000 2.679 245 R HA 0.210 4.554 4.340 0.007 0.000 0.268 245 R C 0.069 176.385 176.300 0.026 0.000 1.044 245 R CA -0.259 55.879 56.100 0.064 0.000 1.105 245 R CB 0.597 30.909 30.300 0.021 0.000 0.989 245 R HN 0.264 nan 8.270 nan 0.000 0.447 246 L N 2.881 124.022 121.223 -0.137 0.000 2.485 246 L HA -0.088 4.256 4.340 0.007 0.000 0.275 246 L C 0.553 177.288 176.870 -0.226 0.000 1.207 246 L CA 0.632 55.203 54.840 -0.449 0.000 0.855 246 L CB 0.282 41.971 42.059 -0.617 0.000 1.114 246 L HN 0.697 nan 8.230 nan 0.000 0.485 247 K N 0.968 121.236 120.400 -0.220 0.000 3.341 247 K HA -0.198 4.127 4.320 0.007 0.000 0.305 247 K C 1.235 177.835 176.600 -0.000 0.000 1.270 247 K CA 0.996 57.221 56.287 -0.104 0.000 0.897 247 K CB -1.546 30.897 32.500 -0.095 0.000 1.264 247 K HN 0.848 nan 8.250 nan 0.000 0.468 248 S N -1.286 114.436 115.700 0.037 0.000 2.428 248 S HA -0.100 4.374 4.470 0.007 0.000 0.230 248 S C 1.642 176.428 174.600 0.310 0.000 1.014 248 S CA 0.813 59.106 58.200 0.155 0.000 0.957 248 S CB -0.253 63.050 63.200 0.172 0.000 0.784 248 S HN 0.312 nan 8.310 nan 0.000 0.499 249 Y N 2.435 122.756 120.300 0.036 0.000 2.352 249 Y HA 0.147 4.702 4.550 0.007 0.000 0.292 249 Y C 2.534 178.436 175.900 0.003 0.000 1.136 249 Y CA 0.121 58.232 58.100 0.018 0.000 1.227 249 Y CB -0.466 37.980 38.460 -0.025 0.000 0.991 249 Y HN 0.381 nan 8.280 nan 0.000 0.545 250 E N -0.243 120.052 120.200 0.158 0.000 2.030 250 E HA -0.115 4.240 4.350 0.007 0.000 0.189 250 E C 1.765 178.417 176.600 0.087 0.000 0.974 250 E CA 0.775 57.225 56.400 0.082 0.000 0.807 250 E CB -0.554 29.170 29.700 0.040 0.000 0.771 250 E HN 0.553 nan 8.360 nan 0.000 0.451 251 N N 0.663 119.419 118.700 0.093 0.000 2.084 251 N HA -0.110 4.634 4.740 0.007 0.000 0.190 251 N C -0.325 175.271 175.510 0.143 0.000 1.030 251 N CA 0.359 53.462 53.050 0.089 0.000 0.849 251 N CB 0.137 38.660 38.487 0.060 0.000 1.012 251 N HN 0.008 nan 8.380 nan 0.000 0.423 252 Q N 0.399 120.329 119.800 0.218 0.000 2.430 252 Q HA -0.169 4.175 4.340 0.007 0.000 0.365 252 Q C -1.084 175.119 176.000 0.339 0.000 1.399 252 Q CA 1.062 57.117 55.803 0.420 0.000 1.050 252 Q CB -1.048 27.926 28.738 0.394 0.000 1.201 252 Q HN 0.446 nan 8.270 nan 0.000 0.320 253 K N 1.588 122.005 120.400 0.029 0.000 2.292 253 K HA 0.512 4.836 4.320 0.007 0.000 0.257 253 K C -2.268 173.990 176.600 -0.570 0.000 0.940 253 K CA -1.999 54.210 56.287 -0.130 0.000 0.811 253 K CB 1.538 33.997 32.500 -0.068 0.000 1.120 253 K HN -0.005 nan 8.250 nan 0.000 0.428 254 P HA 0.079 nan 4.420 nan 0.000 0.270 254 P C -2.507 174.597 177.300 -0.326 0.000 1.223 254 P CA -0.924 61.838 63.100 -0.564 0.000 0.785 254 P CB -0.161 31.455 31.700 -0.140 0.000 0.923 255 P HA 0.330 nan 4.420 nan 0.000 0.290 255 P C -1.098 176.042 177.300 -0.266 0.000 1.276 255 P CA -0.332 62.654 63.100 -0.190 0.000 0.808 255 P CB 0.491 32.163 31.700 -0.047 0.000 0.966 256 F N 2.477 122.485 119.950 0.097 0.000 2.396 256 F HA 0.389 4.920 4.527 0.007 0.000 0.343 256 F C 1.133 177.011 175.800 0.131 0.000 1.104 256 F CA 0.753 58.838 58.000 0.141 0.000 1.161 256 F CB 0.765 39.892 39.000 0.212 0.000 1.146 256 F HN 0.391 nan 8.300 nan 0.000 0.522 257 D N 0.561 121.110 120.400 0.249 0.000 2.992 257 D HA 0.364 5.009 4.640 0.007 0.000 0.349 257 D C 0.517 176.597 176.300 -0.367 0.000 1.393 257 D CA -0.275 53.759 54.000 0.056 0.000 0.887 257 D CB 0.222 41.033 40.800 0.018 0.000 1.447 257 D HN 0.407 nan 8.370 nan 0.000 0.524 258 A N -0.275 122.025 122.820 -0.868 0.000 1.917 258 A HA -0.210 4.114 4.320 0.007 0.000 0.219 258 A C 1.674 179.070 177.584 -0.313 0.000 1.182 258 A CA 2.333 53.646 52.037 -1.207 0.000 0.633 258 A CB -0.793 17.813 19.000 -0.656 0.000 0.819 258 A HN 0.479 nan 8.150 nan 0.000 0.448 259 K N -0.544 119.771 120.400 -0.143 0.000 2.305 259 K HA 0.053 4.377 4.320 0.007 0.000 0.199 259 K C 0.757 177.389 176.600 0.053 0.000 1.047 259 K CA 0.939 57.212 56.287 -0.024 0.000 0.976 259 K CB 0.028 32.516 32.500 -0.021 0.000 0.765 259 K HN 0.583 nan 8.250 nan 0.000 0.474 260 N N 0.832 119.589 118.700 0.094 0.000 2.726 260 N HA 0.151 4.895 4.740 0.007 0.000 0.253 260 N C -2.936 172.805 175.510 0.385 0.000 1.530 260 N CA -1.445 51.727 53.050 0.205 0.000 0.772 260 N CB 1.011 39.555 38.487 0.095 0.000 1.220 260 N HN -0.142 nan 8.380 nan 0.000 0.508 261 P HA 0.077 nan 4.420 nan 0.000 0.271 261 P C -0.743 176.790 177.300 0.389 0.000 1.218 261 P CA -0.144 63.242 63.100 0.477 0.000 0.780 261 P CB 0.748 32.768 31.700 0.534 0.000 0.901 262 F N 2.941 122.920 119.950 0.049 0.000 2.412 262 F HA 0.273 4.804 4.527 0.007 0.000 0.348 262 F C -0.153 175.482 175.800 -0.275 0.000 1.102 262 F CA -0.639 57.085 58.000 -0.460 0.000 1.196 262 F CB 0.524 39.038 39.000 -0.810 0.000 1.144 262 F HN 0.054 nan 8.300 nan 0.000 0.541 263 L N 6.745 127.303 121.223 -1.108 0.000 2.312 263 L HA 0.384 4.728 4.340 0.007 0.000 0.287 263 L C 0.075 176.339 176.870 -1.011 0.000 1.091 263 L CA 0.086 54.426 54.840 -0.832 0.000 0.846 263 L CB 0.233 41.926 42.059 -0.610 0.000 1.219 263 L HN 0.697 nan 8.230 nan 0.000 0.439 264 A N 3.355 125.899 122.820 -0.461 0.000 2.274 264 A HA 0.817 5.141 4.320 0.007 0.000 0.309 264 A C 0.323 177.829 177.584 -0.131 0.000 1.226 264 A CA -0.439 51.522 52.037 -0.127 0.000 0.853 264 A CB 0.655 19.722 19.000 0.113 0.000 1.146 264 A HN 0.706 nan 8.150 nan 0.000 0.518 265 A N 2.119 124.888 122.820 -0.085 0.000 2.425 265 A HA 0.500 4.824 4.320 0.007 0.000 0.249 265 A C 0.126 177.655 177.584 -0.091 0.000 1.084 265 A CA -0.199 51.783 52.037 -0.092 0.000 0.781 265 A CB 0.084 19.049 19.000 -0.059 0.000 1.019 265 A HN 1.055 nan 8.150 nan 0.000 0.490 266 V N 3.380 123.219 119.914 -0.125 0.000 2.408 266 V HA 0.144 4.268 4.120 0.007 0.000 0.267 266 V C 1.217 177.247 176.094 -0.106 0.000 1.047 266 V CA 0.405 62.621 62.300 -0.141 0.000 0.937 266 V CB 0.597 32.305 31.823 -0.192 0.000 0.999 266 V HN 1.100 nan 8.190 nan 0.000 0.472 267 T N 3.207 117.706 114.554 -0.093 0.000 2.976 267 T HA 0.064 4.419 4.350 0.007 0.000 0.257 267 T C 0.714 175.371 174.700 -0.072 0.000 1.051 267 T CA 1.013 63.075 62.100 -0.063 0.000 1.141 267 T CB 0.260 69.106 68.868 -0.036 0.000 0.881 267 T HN 0.693 nan 8.240 nan 0.000 0.461 268 T N 2.076 116.566 114.554 -0.106 0.000 2.916 268 T HA 0.547 4.902 4.350 0.007 0.000 0.305 268 T C -1.354 173.276 174.700 -0.117 0.000 1.119 268 T CA -0.787 61.259 62.100 -0.091 0.000 1.008 268 T CB 1.790 70.613 68.868 -0.074 0.000 1.129 268 T HN -0.016 nan 8.240 nan 0.000 0.480 269 N N 2.342 120.997 118.700 -0.076 0.000 2.793 269 N HA 0.205 4.949 4.740 0.007 0.000 0.251 269 N C -1.153 174.343 175.510 -0.023 0.000 1.308 269 N CA -0.585 52.420 53.050 -0.075 0.000 0.781 269 N CB 0.912 39.337 38.487 -0.103 0.000 1.439 269 N HN 0.791 nan 8.380 nan 0.000 0.562 270 R N 1.008 121.510 120.500 0.003 0.000 2.750 270 R HA 0.499 4.843 4.340 0.007 0.000 0.281 270 R C -0.508 175.772 176.300 -0.034 0.000 0.972 270 R CA -0.997 55.102 56.100 -0.002 0.000 0.912 270 R CB 1.961 32.254 30.300 -0.012 0.000 1.187 270 R HN 0.135 nan 8.270 nan 0.000 0.464 271 K N 2.454 122.812 120.400 -0.070 0.000 2.451 271 K HA 0.024 4.348 4.320 0.007 0.000 0.280 271 K C 0.158 176.643 176.600 -0.192 0.000 1.020 271 K CA -0.040 56.110 56.287 -0.228 0.000 1.008 271 K CB 0.612 32.991 32.500 -0.202 0.000 0.917 271 K HN 0.723 nan 8.250 nan 0.000 0.478 272 L N 3.157 124.241 121.223 -0.232 0.000 2.477 272 L HA 0.015 4.359 4.340 0.007 0.000 0.220 272 L C 0.483 177.252 176.870 -0.167 0.000 1.106 272 L CA 0.124 54.822 54.840 -0.236 0.000 0.851 272 L CB -0.109 41.763 42.059 -0.312 0.000 0.994 272 L HN 0.738 nan 8.230 nan 0.000 0.462 273 N N -2.676 115.938 118.700 -0.143 0.000 2.384 273 N HA 0.188 4.933 4.740 0.007 0.000 0.301 273 N C 0.214 175.697 175.510 -0.046 0.000 1.133 273 N CA -0.602 52.411 53.050 -0.062 0.000 0.853 273 N CB 1.218 39.682 38.487 -0.038 0.000 1.241 273 N HN -0.199 nan 8.380 nan 0.000 0.502 274 Q N 0.622 120.420 119.800 -0.003 0.000 2.137 274 Q HA 0.203 4.548 4.340 0.007 0.000 0.198 274 Q C 0.995 176.997 176.000 0.004 0.000 0.960 274 Q CA 1.167 56.969 55.803 -0.002 0.000 0.847 274 Q CB -0.203 28.543 28.738 0.012 0.000 0.915 274 Q HN 0.761 nan 8.270 nan 0.000 0.448 275 G N -1.134 107.676 108.800 0.016 0.000 2.616 275 G HA2 0.267 4.231 3.960 0.007 0.000 0.268 275 G HA3 0.267 4.231 3.960 0.007 0.000 0.268 275 G C 0.132 175.048 174.900 0.026 0.000 1.213 275 G CA -0.054 45.060 45.100 0.023 0.000 0.926 275 G HN 0.143 nan 8.290 nan 0.000 0.523 276 T N -0.943 113.632 114.554 0.035 0.000 2.959 276 T HA 0.067 4.421 4.350 0.007 0.000 0.254 276 T C 1.867 176.600 174.700 0.055 0.000 1.003 276 T CA 0.497 62.624 62.100 0.046 0.000 0.950 276 T CB 0.269 69.159 68.868 0.036 0.000 1.090 276 T HN 0.573 nan 8.240 nan 0.000 0.503 277 E N 2.327 122.557 120.200 0.051 0.000 2.065 277 E HA -0.120 4.234 4.350 0.007 0.000 0.201 277 E C 0.763 177.408 176.600 0.074 0.000 1.016 277 E CA 1.419 57.854 56.400 0.057 0.000 0.818 277 E CB 0.145 29.877 29.700 0.053 0.000 0.749 277 E HN 0.364 nan 8.360 nan 0.000 0.453 278 R N -1.221 119.327 120.500 0.079 0.000 2.778 278 R HA 0.397 4.741 4.340 0.007 0.000 0.277 278 R C -1.046 175.324 176.300 0.117 0.000 0.977 278 R CA -0.832 55.328 56.100 0.101 0.000 0.950 278 R CB 1.385 31.739 30.300 0.091 0.000 1.165 278 R HN 0.185 nan 8.270 nan 0.000 0.474 279 H N 1.560 120.657 119.070 0.044 0.000 2.595 279 H HA 0.390 4.951 4.556 0.007 0.000 0.313 279 H C -1.244 174.108 175.328 0.040 0.000 1.023 279 H CA -0.403 55.664 56.048 0.032 0.000 1.218 279 H CB 0.561 30.335 29.762 0.020 0.000 1.403 279 H HN 0.257 nan 8.280 nan 0.000 0.477 280 L N 6.120 127.243 121.223 -0.166 0.000 2.329 280 L HA 0.508 4.852 4.340 0.007 0.000 0.279 280 L C -0.437 176.319 176.870 -0.191 0.000 1.014 280 L CA -0.631 54.166 54.840 -0.072 0.000 0.814 280 L CB 1.605 43.651 42.059 -0.022 0.000 1.257 280 L HN 0.665 nan 8.230 nan 0.000 0.424 281 M N 1.071 120.641 119.600 -0.049 0.000 2.550 281 M HA 0.524 5.008 4.480 0.007 0.000 0.292 281 M C -1.384 174.923 176.300 0.011 0.000 1.221 281 M CA -0.697 54.580 55.300 -0.039 0.000 0.873 281 M CB 2.449 35.089 32.600 0.066 0.000 1.727 281 M HN 0.560 nan 8.290 nan 0.000 0.459 282 H N 3.262 122.274 119.070 -0.096 0.000 2.638 282 H HA 0.615 5.175 4.556 0.007 0.000 0.317 282 H C -2.312 172.951 175.328 -0.108 0.000 1.006 282 H CA -0.489 55.520 56.048 -0.066 0.000 1.222 282 H CB 1.197 30.927 29.762 -0.052 0.000 1.419 282 H HN 0.732 nan 8.280 nan 0.000 0.489 283 L N 4.070 125.000 121.223 -0.489 0.000 2.334 283 L HA 0.377 4.721 4.340 0.007 0.000 0.272 283 L C 0.131 176.640 176.870 -0.602 0.000 1.020 283 L CA -0.546 54.028 54.840 -0.443 0.000 0.812 283 L CB 1.711 43.575 42.059 -0.325 0.000 1.264 283 L HN 0.604 nan 8.230 nan 0.000 0.439 284 E N 2.181 122.130 120.200 -0.418 0.000 2.224 284 E HA 0.508 4.862 4.350 0.007 0.000 0.265 284 E C -1.520 174.990 176.600 -0.150 0.000 0.878 284 E CA -0.825 55.383 56.400 -0.320 0.000 0.759 284 E CB 2.365 31.834 29.700 -0.384 0.000 1.164 284 E HN 0.164 nan 8.360 nan 0.000 0.414 285 L N 2.914 124.092 121.223 -0.076 0.000 2.298 285 L HA 0.222 4.566 4.340 0.007 0.000 0.284 285 L C -0.357 176.510 176.870 -0.005 0.000 1.013 285 L CA -0.575 54.225 54.840 -0.066 0.000 0.824 285 L CB 1.105 43.109 42.059 -0.092 0.000 1.221 285 L HN 0.451 nan 8.230 nan 0.000 0.418 286 D N 3.802 124.214 120.400 0.020 0.000 2.338 286 D HA 0.128 4.772 4.640 0.007 0.000 0.255 286 D C 0.870 177.245 176.300 0.126 0.000 1.237 286 D CA 0.004 54.040 54.000 0.061 0.000 0.883 286 D CB 0.718 41.551 40.800 0.056 0.000 1.087 286 D HN 0.525 nan 8.370 nan 0.000 0.485 287 I N 0.395 120.986 120.570 0.035 0.000 3.914 287 I HA 0.261 4.435 4.170 0.007 0.000 0.333 287 I C 0.178 176.163 176.117 -0.220 0.000 1.449 287 I CA -0.668 60.543 61.300 -0.147 0.000 1.135 287 I CB 0.145 38.021 38.000 -0.207 0.000 1.073 287 I HN -0.041 nan 8.210 nan 0.000 0.401 288 S N 2.722 118.396 115.700 -0.043 0.000 2.593 288 S HA -0.074 4.400 4.470 0.007 0.000 0.300 288 S C 0.496 175.062 174.600 -0.058 0.000 1.267 288 S CA 0.769 58.955 58.200 -0.024 0.000 1.065 288 S CB -0.070 63.152 63.200 0.037 0.000 0.807 288 S HN 0.681 nan 8.310 nan 0.000 0.499 289 D N 0.480 120.846 120.400 -0.056 0.000 3.076 289 D HA -0.167 4.477 4.640 0.007 0.000 0.218 289 D C 1.076 177.324 176.300 -0.087 0.000 1.156 289 D CA 1.474 55.464 54.000 -0.018 0.000 0.921 289 D CB -1.793 39.046 40.800 0.065 0.000 1.113 289 D HN 0.627 nan 8.370 nan 0.000 0.418 290 S N -0.615 114.867 115.700 -0.363 0.000 2.470 290 S HA -0.006 4.468 4.470 0.007 0.000 0.222 290 S C 1.163 175.736 174.600 -0.044 0.000 1.024 290 S CA 0.764 58.630 58.200 -0.557 0.000 0.931 290 S CB 0.595 62.919 63.200 -1.459 0.000 0.791 290 S HN 0.113 nan 8.310 nan 0.000 0.513 291 K N 0.153 120.519 120.400 -0.057 0.000 3.500 291 K HA -0.119 4.205 4.320 0.007 0.000 0.313 291 K C -0.229 176.393 176.600 0.037 0.000 1.338 291 K CA 0.696 56.995 56.287 0.020 0.000 0.963 291 K CB -2.822 29.719 32.500 0.068 0.000 1.267 291 K HN 0.604 nan 8.250 nan 0.000 0.448 292 I N 2.625 123.194 120.570 -0.001 0.000 2.556 292 I HA -0.005 4.169 4.170 0.007 0.000 0.284 292 I C 0.960 177.123 176.117 0.078 0.000 1.114 292 I CA 0.100 61.432 61.300 0.054 0.000 1.418 292 I CB 0.386 38.391 38.000 0.009 0.000 1.394 292 I HN -0.100 nan 8.210 nan 0.000 0.552 293 R N 6.435 126.999 120.500 0.107 0.000 2.460 293 R HA 0.511 4.855 4.340 0.007 0.000 0.303 293 R C -1.064 175.345 176.300 0.182 0.000 0.968 293 R CA -0.734 55.425 56.100 0.099 0.000 0.889 293 R CB 2.009 32.339 30.300 0.050 0.000 1.123 293 R HN 0.625 nan 8.270 nan 0.000 0.455 294 Y N -1.233 119.069 120.300 0.003 0.000 2.615 294 Y HA 0.624 5.178 4.550 0.007 0.000 0.341 294 Y C -0.956 174.943 175.900 -0.002 0.000 1.089 294 Y CA -1.044 57.062 58.100 0.010 0.000 1.049 294 Y CB 1.762 40.222 38.460 -0.001 0.000 1.296 294 Y HN 0.289 nan 8.280 nan 0.000 0.470 295 E N 0.470 120.682 120.200 0.020 0.000 2.369 295 E HA 0.328 4.682 4.350 0.007 0.000 0.270 295 E C -1.169 175.520 176.600 0.150 0.000 0.909 295 E CA -1.145 55.198 56.400 -0.095 0.000 0.775 295 E CB 2.184 31.871 29.700 -0.021 0.000 1.270 295 E HN 0.705 nan 8.360 nan 0.000 0.445 296 S N -0.116 115.643 115.700 0.098 0.000 2.558 296 S HA 0.301 4.775 4.470 0.007 0.000 0.293 296 S C 1.147 175.956 174.600 0.348 0.000 1.292 296 S CA 1.327 59.681 58.200 0.256 0.000 1.063 296 S CB 0.172 63.543 63.200 0.286 0.000 0.831 296 S HN 0.796 nan 8.310 nan 0.000 0.499 297 G N 3.234 112.230 108.800 0.325 0.000 2.234 297 G HA2 -0.184 3.780 3.960 0.007 0.000 0.235 297 G HA3 -0.184 3.780 3.960 0.007 0.000 0.235 297 G C -0.191 174.693 174.900 -0.027 0.000 0.997 297 G CA -0.075 45.220 45.100 0.324 0.000 0.623 297 G HN 0.631 nan 8.290 nan 0.000 0.514 298 D N 0.628 121.034 120.400 0.010 0.000 2.371 298 D HA 0.543 5.187 4.640 0.007 0.000 0.242 298 D C 0.482 176.625 176.300 -0.261 0.000 1.218 298 D CA 0.222 54.177 54.000 -0.074 0.000 0.945 298 D CB 0.371 41.239 40.800 0.114 0.000 1.137 298 D HN 0.544 nan 8.370 nan 0.000 0.464 299 H N -1.336 117.761 119.070 0.045 0.000 2.529 299 H HA 0.541 5.102 4.556 0.007 0.000 0.348 299 H C -0.650 174.664 175.328 -0.023 0.000 1.152 299 H CA -0.962 55.089 56.048 0.005 0.000 1.202 299 H CB 1.964 31.747 29.762 0.035 0.000 1.562 299 H HN -0.007 nan 8.280 nan 0.000 0.515 300 V N 1.826 121.763 119.914 0.039 0.000 2.417 300 V HA 0.756 4.880 4.120 0.007 0.000 0.291 300 V C -0.595 175.326 176.094 -0.289 0.000 1.024 300 V CA -0.432 61.784 62.300 -0.141 0.000 0.861 300 V CB 0.786 32.516 31.823 -0.155 0.000 0.985 300 V HN 0.940 nan 8.190 nan 0.000 0.436 301 A N 5.583 127.962 122.820 -0.734 0.000 2.325 301 A HA 0.890 5.214 4.320 0.007 0.000 0.333 301 A C -0.960 176.108 177.584 -0.860 0.000 1.155 301 A CA -0.577 50.738 52.037 -1.204 0.000 0.814 301 A CB 1.883 19.542 19.000 -2.236 0.000 1.206 301 A HN 1.108 nan 8.150 nan 0.000 0.482 302 V N 1.898 121.441 119.914 -0.618 0.000 2.733 302 V HA 0.374 4.498 4.120 0.007 0.000 0.306 302 V C -1.833 174.090 176.094 -0.285 0.000 1.084 302 V CA -0.395 61.750 62.300 -0.259 0.000 0.905 302 V CB 1.849 33.697 31.823 0.042 0.000 1.010 302 V HN 0.778 nan 8.190 nan 0.000 0.424 303 Y N 7.564 127.861 120.300 -0.005 0.000 2.454 303 Y HA 0.475 5.029 4.550 0.007 0.000 0.345 303 Y C -1.797 173.843 175.900 -0.433 0.000 0.970 303 Y CA -2.561 55.492 58.100 -0.080 0.000 1.204 303 Y CB 0.862 39.379 38.460 0.093 0.000 1.122 303 Y HN 0.474 nan 8.280 nan 0.000 0.514 304 P HA 0.529 nan 4.420 nan 0.000 0.293 304 P C -1.052 175.607 177.300 -1.068 0.000 1.304 304 P CA -0.580 61.578 63.100 -1.569 0.000 0.767 304 P CB 1.516 32.691 31.700 -0.876 0.000 1.247 305 A N 0.270 122.276 122.820 -1.357 0.000 2.374 305 A HA 0.494 4.818 4.320 0.007 0.000 0.317 305 A C -0.106 177.204 177.584 -0.456 0.000 1.094 305 A CA -0.775 50.855 52.037 -0.678 0.000 0.765 305 A CB 0.480 19.199 19.000 -0.470 0.000 1.268 305 A HN 0.472 nan 8.150 nan 0.000 0.438 306 N N 1.477 119.954 118.700 -0.372 0.000 2.482 306 N HA 0.034 4.779 4.740 0.007 0.000 0.260 306 N C -0.569 174.824 175.510 -0.195 0.000 1.236 306 N CA 0.045 52.946 53.050 -0.248 0.000 0.938 306 N CB 0.788 39.131 38.487 -0.241 0.000 1.128 306 N HN 0.779 nan 8.380 nan 0.000 0.448 307 D N 0.308 120.629 120.400 -0.132 0.000 2.450 307 D HA -0.062 4.582 4.640 0.007 0.000 0.247 307 D C 1.118 177.350 176.300 -0.113 0.000 1.162 307 D CA 0.136 54.081 54.000 -0.092 0.000 0.879 307 D CB 0.794 41.544 40.800 -0.083 0.000 1.163 307 D HN 0.553 nan 8.370 nan 0.000 0.472 308 S N 3.473 119.117 115.700 -0.093 0.000 2.383 308 S HA -0.166 4.308 4.470 0.007 0.000 0.227 308 S C 2.013 176.565 174.600 -0.079 0.000 1.026 308 S CA 0.917 59.059 58.200 -0.096 0.000 0.981 308 S CB -0.135 63.022 63.200 -0.072 0.000 0.818 308 S HN 0.542 nan 8.310 nan 0.000 0.472 309 A N 2.077 124.857 122.820 -0.067 0.000 1.908 309 A HA 0.076 4.400 4.320 0.007 0.000 0.218 309 A C 2.309 179.851 177.584 -0.071 0.000 1.181 309 A CA 1.462 53.463 52.037 -0.059 0.000 0.627 309 A CB -0.923 18.046 19.000 -0.052 0.000 0.818 309 A HN 0.568 nan 8.150 nan 0.000 0.445 310 L N -0.121 121.045 121.223 -0.095 0.000 2.017 310 L HA -0.154 4.190 4.340 0.007 0.000 0.208 310 L C 2.470 179.275 176.870 -0.108 0.000 1.073 310 L CA 1.705 56.474 54.840 -0.119 0.000 0.745 310 L CB -0.305 41.651 42.059 -0.172 0.000 0.894 310 L HN 0.291 nan 8.230 nan 0.000 0.432 311 V N 0.121 119.968 119.914 -0.113 0.000 2.343 311 V HA -0.296 3.828 4.120 0.007 0.000 0.247 311 V C 2.119 178.168 176.094 -0.075 0.000 1.051 311 V CA 2.127 64.363 62.300 -0.105 0.000 1.036 311 V CB -0.872 30.874 31.823 -0.128 0.000 0.654 311 V HN 0.489 nan 8.190 nan 0.000 0.451 312 N N 0.088 118.749 118.700 -0.065 0.000 2.025 312 N HA -0.224 4.520 4.740 0.007 0.000 0.194 312 N C 1.947 177.433 175.510 -0.041 0.000 1.044 312 N CA 1.734 54.757 53.050 -0.046 0.000 0.851 312 N CB -0.289 38.174 38.487 -0.040 0.000 1.036 312 N HN 0.518 nan 8.380 nan 0.000 0.422 313 Q N -0.038 119.736 119.800 -0.042 0.000 2.152 313 Q HA -0.157 4.187 4.340 0.007 0.000 0.206 313 Q C 2.060 178.042 176.000 -0.031 0.000 0.985 313 Q CA 1.015 56.799 55.803 -0.032 0.000 0.863 313 Q CB -0.176 28.545 28.738 -0.029 0.000 0.904 313 Q HN 0.425 nan 8.270 nan 0.000 0.422 314 L N -0.533 120.665 121.223 -0.042 0.000 2.027 314 L HA -0.131 4.214 4.340 0.007 0.000 0.206 314 L C 2.225 179.066 176.870 -0.049 0.000 1.074 314 L CA 1.353 56.168 54.840 -0.042 0.000 0.745 314 L CB -0.689 41.337 42.059 -0.055 0.000 0.898 314 L HN 0.386 nan 8.230 nan 0.000 0.433 315 G N -0.669 108.101 108.800 -0.051 0.000 2.432 315 G HA2 -0.304 3.660 3.960 0.007 0.000 0.219 315 G HA3 -0.304 3.660 3.960 0.007 0.000 0.219 315 G C 1.668 176.541 174.900 -0.044 0.000 1.135 315 G CA 0.741 45.808 45.100 -0.054 0.000 0.767 315 G HN 0.291 nan 8.290 nan 0.000 0.550 316 K N -0.199 120.181 120.400 -0.033 0.000 2.217 316 K HA 0.188 4.512 4.320 0.007 0.000 0.202 316 K C 2.156 178.742 176.600 -0.023 0.000 1.051 316 K CA 0.502 56.774 56.287 -0.024 0.000 0.952 316 K CB -0.115 32.374 32.500 -0.019 0.000 0.736 316 K HN 0.375 nan 8.250 nan 0.000 0.453 317 I N 0.355 120.910 120.570 -0.025 0.000 2.852 317 I HA -0.126 4.048 4.170 0.007 0.000 0.264 317 I C 0.924 177.022 176.117 -0.031 0.000 1.179 317 I CA 0.298 61.586 61.300 -0.019 0.000 1.480 317 I CB 0.330 38.325 38.000 -0.009 0.000 1.111 317 I HN 0.103 nan 8.210 nan 0.000 0.441 318 L N 1.196 122.389 121.223 -0.050 0.000 2.395 318 L HA 0.166 4.510 4.340 0.007 0.000 0.218 318 L C 1.900 178.727 176.870 -0.073 0.000 1.130 318 L CA 1.410 56.205 54.840 -0.076 0.000 0.826 318 L CB -1.357 40.636 42.059 -0.111 0.000 0.941 318 L HN 0.469 nan 8.230 nan 0.000 0.451 319 G N -1.354 107.415 108.800 -0.053 0.000 2.184 319 G HA2 -0.275 3.689 3.960 0.007 0.000 0.264 319 G HA3 -0.275 3.689 3.960 0.007 0.000 0.264 319 G C 0.618 175.490 174.900 -0.047 0.000 0.975 319 G CA 0.369 45.445 45.100 -0.041 0.000 0.642 319 G HN 0.719 nan 8.290 nan 0.000 0.536 320 A N 0.036 122.811 122.820 -0.076 0.000 2.340 320 A HA 0.581 4.905 4.320 0.007 0.000 0.268 320 A C 0.109 177.670 177.584 -0.038 0.000 1.100 320 A CA 0.525 52.508 52.037 -0.091 0.000 0.803 320 A CB 0.623 19.495 19.000 -0.214 0.000 1.043 320 A HN 0.613 nan 8.150 nan 0.000 0.488 321 D N 1.637 122.044 120.400 0.011 0.000 2.295 321 D HA 0.317 4.961 4.640 0.007 0.000 0.248 321 D C 0.329 176.707 176.300 0.129 0.000 1.154 321 D CA -0.374 53.658 54.000 0.053 0.000 0.857 321 D CB 0.720 41.556 40.800 0.060 0.000 1.117 321 D HN 0.141 nan 8.370 nan 0.000 0.468 322 L N 3.057 124.348 121.223 0.112 0.000 2.509 322 L HA 0.111 4.455 4.340 0.007 0.000 0.222 322 L C 1.345 178.319 176.870 0.173 0.000 1.123 322 L CA 0.825 55.775 54.840 0.183 0.000 0.856 322 L CB -0.303 41.808 42.059 0.086 0.000 0.985 322 L HN 0.538 nan 8.230 nan 0.000 0.456 323 D N -0.886 119.578 120.400 0.107 0.000 2.355 323 D HA -0.005 4.639 4.640 0.007 0.000 0.218 323 D C 0.654 176.985 176.300 0.051 0.000 1.004 323 D CA 0.179 54.216 54.000 0.062 0.000 0.880 323 D CB 0.465 41.290 40.800 0.042 0.000 0.911 323 D HN 0.045 nan 8.370 nan 0.000 0.528 324 V N 2.793 122.762 119.914 0.091 0.000 2.479 324 V HA -0.084 4.040 4.120 0.007 0.000 0.284 324 V C 0.749 176.787 176.094 -0.093 0.000 0.981 324 V CA 0.126 62.454 62.300 0.046 0.000 1.139 324 V CB 0.318 32.232 31.823 0.152 0.000 0.947 324 V HN -0.115 nan 8.190 nan 0.000 0.468 325 V N 8.039 127.923 119.914 -0.050 0.000 2.715 325 V HA 0.521 4.645 4.120 0.007 0.000 0.299 325 V C 0.194 176.261 176.094 -0.044 0.000 1.054 325 V CA -0.046 62.220 62.300 -0.057 0.000 1.077 325 V CB 1.028 32.850 31.823 -0.001 0.000 0.972 325 V HN 1.050 nan 8.190 nan 0.000 0.484 326 M N 2.909 122.478 119.600 -0.050 0.000 2.949 326 M HA 0.727 5.212 4.480 0.007 0.000 0.270 326 M C -0.995 175.361 176.300 0.093 0.000 1.221 326 M CA -0.444 54.883 55.300 0.044 0.000 0.818 326 M CB 1.776 34.287 32.600 -0.148 0.000 1.635 326 M HN 0.222 nan 8.290 nan 0.000 0.492 327 S N 0.351 116.144 115.700 0.154 0.000 2.542 327 S HA 0.872 5.346 4.470 0.007 0.000 0.293 327 S C -1.333 173.310 174.600 0.072 0.000 1.089 327 S CA -0.779 57.474 58.200 0.087 0.000 0.961 327 S CB 1.570 64.902 63.200 0.220 0.000 1.062 327 S HN 0.692 nan 8.310 nan 0.000 0.483 328 L N 3.357 124.594 121.223 0.022 0.000 2.337 328 L HA 0.439 4.783 4.340 0.007 0.000 0.269 328 L C -0.783 176.159 176.870 0.119 0.000 1.018 328 L CA -0.630 54.210 54.840 0.001 0.000 0.876 328 L CB 0.670 42.583 42.059 -0.243 0.000 1.236 328 L HN 0.495 nan 8.230 nan 0.000 0.436 329 N N 2.152 120.949 118.700 0.162 0.000 2.479 329 N HA 0.171 4.916 4.740 0.007 0.000 0.285 329 N C -0.411 175.189 175.510 0.150 0.000 1.075 329 N CA -0.391 52.715 53.050 0.093 0.000 0.967 329 N CB 1.314 39.836 38.487 0.059 0.000 1.137 329 N HN 0.452 nan 8.380 nan 0.000 0.472 330 N N 1.154 119.906 118.700 0.087 0.000 2.483 330 N HA 0.043 4.787 4.740 0.007 0.000 0.264 330 N C 1.187 176.634 175.510 -0.104 0.000 1.197 330 N CA -0.305 52.706 53.050 -0.065 0.000 0.927 330 N CB 0.736 39.145 38.487 -0.129 0.000 1.065 330 N HN 0.420 nan 8.380 nan 0.000 0.461 331 L N 1.414 122.545 121.223 -0.153 0.000 2.141 331 L HA -0.087 4.258 4.340 0.007 0.000 0.209 331 L C 0.706 177.515 176.870 -0.102 0.000 1.094 331 L CA 0.658 55.436 54.840 -0.104 0.000 0.763 331 L CB -0.214 41.784 42.059 -0.102 0.000 0.908 331 L HN 0.644 nan 8.230 nan 0.000 0.437 332 D N 0.520 120.839 120.400 -0.135 0.000 2.385 332 D HA -0.067 4.577 4.640 0.007 0.000 0.260 332 D C 1.072 177.319 176.300 -0.088 0.000 1.326 332 D CA 0.261 54.198 54.000 -0.106 0.000 1.023 332 D CB 1.074 41.803 40.800 -0.119 0.000 1.083 332 D HN 0.055 nan 8.370 nan 0.000 0.517 333 E N 2.290 122.451 120.200 -0.065 0.000 2.153 333 E HA -0.191 4.163 4.350 0.007 0.000 0.194 333 E C 1.086 177.656 176.600 -0.049 0.000 0.988 333 E CA 1.135 57.503 56.400 -0.053 0.000 0.811 333 E CB 0.237 29.914 29.700 -0.039 0.000 0.746 333 E HN 0.373 nan 8.360 nan 0.000 0.466 334 E N -0.565 119.607 120.200 -0.047 0.000 2.479 334 E HA 0.142 4.496 4.350 0.007 0.000 0.193 334 E C -0.081 176.495 176.600 -0.041 0.000 1.049 334 E CA -0.097 56.280 56.400 -0.038 0.000 0.870 334 E CB 0.335 30.016 29.700 -0.032 0.000 0.944 334 E HN 0.007 nan 8.360 nan 0.000 0.492 335 S N 0.525 116.193 115.700 -0.053 0.000 2.600 335 S HA 0.013 4.487 4.470 0.007 0.000 0.265 335 S C 1.315 175.890 174.600 -0.042 0.000 1.325 335 S CA -0.240 57.930 58.200 -0.050 0.000 1.002 335 S CB 0.444 63.602 63.200 -0.069 0.000 0.921 335 S HN 0.401 nan 8.310 nan 0.000 0.554 336 N N 2.508 121.189 118.700 -0.030 0.000 2.109 336 N HA -0.120 4.624 4.740 0.007 0.000 0.188 336 N C -0.050 175.446 175.510 -0.023 0.000 1.034 336 N CA 0.813 53.849 53.050 -0.022 0.000 0.846 336 N CB -0.687 37.793 38.487 -0.012 0.000 1.010 336 N HN 0.656 nan 8.380 nan 0.000 0.425 337 K N 2.279 122.673 120.400 -0.009 0.000 2.237 337 K HA 0.126 4.450 4.320 0.007 0.000 0.283 337 K C 0.132 176.733 176.600 0.001 0.000 1.080 337 K CA -0.033 56.262 56.287 0.013 0.000 0.965 337 K CB 0.691 33.232 32.500 0.067 0.000 1.098 337 K HN 0.257 nan 8.250 nan 0.000 0.434 338 K N 1.921 122.259 120.400 -0.104 0.000 2.155 338 K HA -0.074 4.250 4.320 0.007 0.000 0.203 338 K C 0.047 176.356 176.600 -0.486 0.000 1.052 338 K CA 1.117 57.216 56.287 -0.313 0.000 0.948 338 K CB -0.172 32.051 32.500 -0.461 0.000 0.728 338 K HN 0.660 nan 8.250 nan 0.000 0.448 339 H N -1.481 117.565 119.070 -0.040 0.000 2.894 339 H HA 0.127 4.686 4.556 0.007 0.000 0.368 339 H C -2.036 173.003 175.328 -0.480 0.000 1.181 339 H CA -2.001 53.853 56.048 -0.323 0.000 1.146 339 H CB 1.748 31.280 29.762 -0.383 0.000 1.839 339 H HN -0.220 nan 8.280 nan 0.000 0.557 340 P HA -0.025 nan 4.420 nan 0.000 0.227 340 P C -0.683 176.428 177.300 -0.315 0.000 1.161 340 P CA 0.976 63.703 63.100 -0.622 0.000 0.788 340 P CB 0.504 31.688 31.700 -0.860 0.000 0.822 341 F N -4.195 115.611 119.950 -0.241 0.000 2.773 341 F HA 0.652 5.183 4.527 0.006 0.000 0.314 341 F C -3.241 172.238 175.800 -0.535 0.000 1.160 341 F CA -3.654 54.122 58.000 -0.374 0.000 0.920 341 F CB -0.671 38.157 39.000 -0.287 0.000 1.323 341 F HN -0.451 nan 8.300 nan 0.000 0.457 342 P HA 0.137 nan 4.420 nan 0.000 0.258 342 P C -0.805 176.115 177.300 -0.633 0.000 1.172 342 P CA 0.273 62.736 63.100 -1.061 0.000 0.762 342 P CB 0.056 30.651 31.700 -1.843 0.000 0.764 343 C N 5.814 124.745 119.300 -0.615 0.000 2.889 343 C HA 0.544 5.009 4.460 0.007 0.000 0.307 343 C C -2.313 172.585 174.990 -0.154 0.000 1.251 343 C CA -1.743 57.052 59.018 -0.372 0.000 1.593 343 C CB 1.728 29.033 27.740 -0.725 0.000 2.104 343 C HN 0.432 nan 8.230 nan 0.000 0.476 344 P HA 0.399 nan 4.420 nan 0.000 0.271 344 P C -0.468 176.859 177.300 0.045 0.000 1.216 344 P CA 0.461 63.494 63.100 -0.111 0.000 0.776 344 P CB 0.644 32.163 31.700 -0.303 0.000 0.881 345 T N 0.328 114.913 114.554 0.052 0.000 2.821 345 T HA 0.493 4.847 4.350 0.007 0.000 0.306 345 T C -0.683 174.019 174.700 0.004 0.000 1.313 345 T CA -0.534 61.626 62.100 0.100 0.000 1.012 345 T CB 0.664 69.682 68.868 0.250 0.000 1.298 345 T HN 0.363 nan 8.240 nan 0.000 0.502 346 S N 1.765 117.453 115.700 -0.020 0.000 2.632 346 S HA 0.393 4.868 4.470 0.007 0.000 0.267 346 S C 0.761 175.312 174.600 -0.081 0.000 1.276 346 S CA -0.395 57.752 58.200 -0.088 0.000 0.998 346 S CB 0.346 63.531 63.200 -0.025 0.000 0.953 346 S HN 0.665 nan 8.310 nan 0.000 0.547 347 Y N 0.776 121.095 120.300 0.033 0.000 2.181 347 Y HA -0.056 4.500 4.550 0.010 0.000 0.288 347 Y C 2.842 178.703 175.900 -0.065 0.000 1.146 347 Y CA 1.585 59.684 58.100 -0.002 0.000 1.164 347 Y CB -0.694 37.773 38.460 0.012 0.000 0.982 347 Y HN 0.742 nan 8.280 nan 0.000 0.515 348 R N -0.131 120.429 120.500 0.101 0.000 2.113 348 R HA -0.200 4.144 4.340 0.007 0.000 0.244 348 R C 1.977 178.231 176.300 -0.078 0.000 1.142 348 R CA 2.406 58.506 56.100 -0.000 0.000 0.953 348 R CB -0.561 29.742 30.300 0.005 0.000 0.860 348 R HN 0.269 nan 8.270 nan 0.000 0.438 349 T N 0.387 114.903 114.554 -0.063 0.000 2.777 349 T HA -0.065 4.289 4.350 0.007 0.000 0.266 349 T C 1.809 176.326 174.700 -0.305 0.000 1.040 349 T CA 1.261 63.301 62.100 -0.101 0.000 1.141 349 T CB -0.315 68.518 68.868 -0.059 0.000 0.868 349 T HN 0.497 nan 8.240 nan 0.000 0.444 350 A N 1.567 124.210 122.820 -0.294 0.000 1.877 350 A HA -0.027 4.297 4.320 0.007 0.000 0.216 350 A C 2.157 179.493 177.584 -0.413 0.000 1.186 350 A CA 1.217 52.946 52.037 -0.513 0.000 0.620 350 A CB -0.809 17.748 19.000 -0.738 0.000 0.822 350 A HN 0.323 nan 8.150 nan 0.000 0.443 351 L N -0.027 121.042 121.223 -0.257 0.000 2.083 351 L HA -0.126 4.218 4.340 0.007 0.000 0.209 351 L C 2.693 179.400 176.870 -0.271 0.000 1.083 351 L CA 2.353 57.069 54.840 -0.205 0.000 0.752 351 L CB -1.699 40.283 42.059 -0.129 0.000 0.899 351 L HN 0.389 nan 8.230 nan 0.000 0.433 352 T N -1.965 112.372 114.554 -0.362 0.000 2.732 352 T HA -0.154 4.200 4.350 0.007 0.000 0.261 352 T C 1.672 175.964 174.700 -0.680 0.000 1.040 352 T CA 1.655 63.409 62.100 -0.578 0.000 1.145 352 T CB -0.240 68.138 68.868 -0.816 0.000 0.866 352 T HN 0.258 nan 8.240 nan 0.000 0.427 353 Y N -1.716 118.324 120.300 -0.435 0.000 2.535 353 Y HA 0.258 4.813 4.550 0.008 0.000 0.264 353 Y C 1.448 177.159 175.900 -0.314 0.000 1.087 353 Y CA -0.119 57.704 58.100 -0.462 0.000 1.285 353 Y CB 0.579 38.629 38.460 -0.683 0.000 1.200 353 Y HN 0.158 nan 8.280 nan 0.000 0.514 354 Y N -0.741 119.484 120.300 -0.126 0.000 2.430 354 Y HA 0.393 4.947 4.550 0.007 0.000 0.248 354 Y C 0.004 175.796 175.900 -0.180 0.000 1.108 354 Y CA -0.791 57.197 58.100 -0.186 0.000 1.264 354 Y CB 0.308 38.569 38.460 -0.330 0.000 1.172 354 Y HN -0.149 nan 8.280 nan 0.000 0.520 355 L N 0.729 121.907 121.223 -0.075 0.000 2.346 355 L HA 0.351 4.695 4.340 0.007 0.000 0.276 355 L C -0.649 176.195 176.870 -0.044 0.000 1.006 355 L CA -0.977 53.828 54.840 -0.058 0.000 0.817 355 L CB 1.714 43.705 42.059 -0.115 0.000 1.272 355 L HN -0.144 nan 8.230 nan 0.000 0.421 356 D N 3.760 124.161 120.400 0.002 0.000 2.316 356 D HA 0.222 4.866 4.640 0.007 0.000 0.245 356 D C 0.473 176.773 176.300 0.001 0.000 1.171 356 D CA -0.111 53.890 54.000 0.002 0.000 0.856 356 D CB 1.037 41.859 40.800 0.037 0.000 1.090 356 D HN 0.520 nan 8.370 nan 0.000 0.476 357 I N 0.891 121.442 120.570 -0.032 0.000 4.240 357 I HA 0.167 4.341 4.170 0.007 0.000 0.331 357 I C 0.629 176.721 176.117 -0.042 0.000 1.381 357 I CA -0.250 61.030 61.300 -0.034 0.000 1.136 357 I CB 0.497 38.449 38.000 -0.080 0.000 1.137 357 I HN 0.225 nan 8.210 nan 0.000 0.411 358 T N -2.931 111.604 114.554 -0.030 0.000 2.978 358 T HA 0.283 4.637 4.350 0.007 0.000 0.248 358 T C 0.892 175.644 174.700 0.086 0.000 1.018 358 T CA -0.110 61.971 62.100 -0.033 0.000 1.026 358 T CB -0.192 68.637 68.868 -0.064 0.000 1.032 358 T HN 0.135 nan 8.240 nan 0.000 0.485 359 N N 2.892 121.638 118.700 0.076 0.000 2.445 359 N HA 0.366 5.110 4.740 0.007 0.000 0.264 359 N C -2.904 172.663 175.510 0.094 0.000 1.227 359 N CA -1.681 51.422 53.050 0.088 0.000 0.963 359 N CB 0.548 39.080 38.487 0.075 0.000 1.188 359 N HN 0.133 nan 8.380 nan 0.000 0.491 360 P HA 0.196 nan 4.420 nan 0.000 0.267 360 P C -2.307 175.066 177.300 0.123 0.000 1.209 360 P CA -0.614 62.522 63.100 0.061 0.000 0.763 360 P CB -0.150 31.551 31.700 0.001 0.000 0.816 361 P HA 0.172 nan 4.420 nan 0.000 0.269 361 P C 0.154 177.610 177.300 0.260 0.000 1.215 361 P CA -0.018 63.187 63.100 0.175 0.000 0.780 361 P CB 0.675 32.471 31.700 0.161 0.000 0.898 362 R N 0.312 120.928 120.500 0.192 0.000 2.580 362 R HA 0.238 4.582 4.340 0.007 0.000 0.267 362 R C 1.717 178.044 176.300 0.045 0.000 1.125 362 R CA -0.302 55.892 56.100 0.156 0.000 1.188 362 R CB -0.311 30.047 30.300 0.097 0.000 1.155 362 R HN 0.405 nan 8.270 nan 0.000 0.586 363 T N 1.025 115.492 114.554 -0.146 0.000 2.624 363 T HA -0.248 4.106 4.350 0.007 0.000 0.268 363 T C 1.494 176.180 174.700 -0.023 0.000 1.041 363 T CA 2.328 64.299 62.100 -0.215 0.000 1.159 363 T CB -0.458 68.263 68.868 -0.245 0.000 0.863 363 T HN 0.760 nan 8.240 nan 0.000 0.434 364 N N 1.103 119.802 118.700 -0.001 0.000 2.309 364 N HA -0.080 4.665 4.740 0.007 0.000 0.182 364 N C 1.848 177.427 175.510 0.115 0.000 1.018 364 N CA 1.240 54.312 53.050 0.037 0.000 0.876 364 N CB -0.360 38.125 38.487 -0.002 0.000 0.972 364 N HN 0.363 nan 8.380 nan 0.000 0.434 365 V N -0.358 119.618 119.914 0.103 0.000 2.788 365 V HA 0.070 4.194 4.120 0.007 0.000 0.251 365 V C 1.806 177.969 176.094 0.114 0.000 1.068 365 V CA 0.808 63.173 62.300 0.109 0.000 1.090 365 V CB -0.498 31.387 31.823 0.103 0.000 0.710 365 V HN 0.373 nan 8.190 nan 0.000 0.467 366 L N -0.930 120.370 121.223 0.127 0.000 2.027 366 L HA -0.092 4.252 4.340 0.007 0.000 0.206 366 L C 2.590 179.525 176.870 0.109 0.000 1.074 366 L CA 2.449 57.364 54.840 0.124 0.000 0.745 366 L CB -0.937 41.203 42.059 0.135 0.000 0.898 366 L HN 0.487 nan 8.230 nan 0.000 0.433 367 Y N 1.458 121.762 120.300 0.005 0.000 2.040 367 Y HA -0.326 4.230 4.550 0.009 0.000 0.275 367 Y C 2.696 178.598 175.900 0.002 0.000 1.171 367 Y CA 1.938 60.036 58.100 -0.003 0.000 1.123 367 Y CB -0.107 38.348 38.460 -0.008 0.000 0.963 367 Y HN 0.148 nan 8.280 nan 0.000 0.493 368 E N 0.040 120.407 120.200 0.278 0.000 2.204 368 E HA -0.143 4.211 4.350 0.007 0.000 0.194 368 E C 2.242 178.855 176.600 0.022 0.000 0.989 368 E CA 1.150 57.654 56.400 0.173 0.000 0.824 368 E CB -0.276 29.531 29.700 0.179 0.000 0.756 368 E HN 0.564 nan 8.360 nan 0.000 0.477 369 L N 0.259 121.507 121.223 0.041 0.000 2.313 369 L HA 0.020 4.364 4.340 0.007 0.000 0.214 369 L C 2.405 179.323 176.870 0.080 0.000 1.119 369 L CA 0.429 55.345 54.840 0.128 0.000 0.809 369 L CB -0.330 41.790 42.059 0.100 0.000 0.933 369 L HN 0.020 nan 8.230 nan 0.000 0.449 370 A N 0.701 123.495 122.820 -0.044 0.000 1.978 370 A HA -0.260 4.064 4.320 0.007 0.000 0.220 370 A C 2.292 179.790 177.584 -0.143 0.000 1.170 370 A CA 1.783 53.761 52.037 -0.097 0.000 0.636 370 A CB -0.490 18.403 19.000 -0.179 0.000 0.810 370 A HN 0.644 nan 8.150 nan 0.000 0.448 371 Q N -1.756 117.893 119.800 -0.252 0.000 2.226 371 Q HA -0.196 4.148 4.340 0.007 0.000 0.204 371 Q C 1.022 176.828 176.000 -0.323 0.000 0.975 371 Q CA 1.703 57.301 55.803 -0.342 0.000 0.866 371 Q CB -0.565 27.877 28.738 -0.493 0.000 0.915 371 Q HN 0.718 nan 8.270 nan 0.000 0.440 372 Y N 0.926 121.214 120.300 -0.021 0.000 2.471 372 Y HA 0.384 4.936 4.550 0.003 0.000 0.286 372 Y C 0.726 176.619 175.900 -0.011 0.000 1.188 372 Y CA -0.044 58.051 58.100 -0.007 0.000 1.286 372 Y CB 0.259 38.717 38.460 -0.002 0.000 1.072 372 Y HN 0.164 nan 8.280 nan 0.000 0.517 373 A N 0.350 123.213 122.820 0.072 0.000 2.391 373 A HA 0.362 4.686 4.320 0.007 0.000 0.316 373 A C 1.433 179.024 177.584 0.012 0.000 1.381 373 A CA 0.134 52.195 52.037 0.040 0.000 0.998 373 A CB 0.017 19.024 19.000 0.012 0.000 1.147 373 A HN 0.377 nan 8.150 nan 0.000 0.545 374 S N 1.796 117.510 115.700 0.024 0.000 2.383 374 S HA -0.123 4.351 4.470 0.007 0.000 0.227 374 S C 0.810 175.407 174.600 -0.004 0.000 1.026 374 S CA 1.108 59.314 58.200 0.010 0.000 0.981 374 S CB -0.321 62.891 63.200 0.020 0.000 0.818 374 S HN 0.726 nan 8.310 nan 0.000 0.472 375 E N 4.066 124.264 120.200 -0.003 0.000 2.265 375 E HA 0.194 4.548 4.350 0.007 0.000 0.272 375 E C -1.329 175.256 176.600 -0.025 0.000 1.067 375 E CA -2.340 54.053 56.400 -0.013 0.000 0.900 375 E CB 0.950 30.644 29.700 -0.010 0.000 1.017 375 E HN 0.197 nan 8.360 nan 0.000 0.431 376 P HA -0.225 nan 4.420 nan 0.000 0.215 376 P C 0.976 178.248 177.300 -0.048 0.000 1.153 376 P CA 1.569 64.645 63.100 -0.040 0.000 0.853 376 P CB 0.052 31.730 31.700 -0.037 0.000 0.788 377 S N -0.349 115.324 115.700 -0.046 0.000 2.423 377 S HA -0.115 4.359 4.470 0.007 0.000 0.231 377 S C 1.935 176.491 174.600 -0.073 0.000 1.014 377 S CA 0.764 58.930 58.200 -0.057 0.000 0.965 377 S CB -1.013 62.156 63.200 -0.052 0.000 0.785 377 S HN 0.228 nan 8.310 nan 0.000 0.495 378 E N 1.132 121.295 120.200 -0.063 0.000 2.107 378 E HA -0.166 4.189 4.350 0.007 0.000 0.191 378 E C 2.252 178.811 176.600 -0.069 0.000 0.982 378 E CA 1.068 57.426 56.400 -0.070 0.000 0.809 378 E CB -0.207 29.471 29.700 -0.037 0.000 0.756 378 E HN 0.734 nan 8.360 nan 0.000 0.459 379 Q N 0.763 120.528 119.800 -0.059 0.000 2.167 379 Q HA -0.191 4.153 4.340 0.007 0.000 0.202 379 Q C 2.118 178.068 176.000 -0.082 0.000 0.970 379 Q CA 1.006 56.768 55.803 -0.069 0.000 0.855 379 Q CB 0.218 28.914 28.738 -0.070 0.000 0.911 379 Q HN 0.051 nan 8.270 nan 0.000 0.438 380 E N 0.294 120.447 120.200 -0.079 0.000 2.046 380 E HA -0.146 4.208 4.350 0.007 0.000 0.190 380 E C 1.995 178.544 176.600 -0.085 0.000 0.982 380 E CA 0.502 56.856 56.400 -0.077 0.000 0.800 380 E CB -0.191 29.468 29.700 -0.068 0.000 0.756 380 E HN 0.362 nan 8.360 nan 0.000 0.449 381 L N 0.722 121.878 121.223 -0.111 0.000 1.991 381 L HA -0.264 4.080 4.340 0.007 0.000 0.221 381 L C 2.629 179.434 176.870 -0.107 0.000 1.079 381 L CA 1.651 56.400 54.840 -0.152 0.000 0.778 381 L CB -1.126 40.784 42.059 -0.250 0.000 0.893 381 L HN 0.229 nan 8.230 nan 0.000 0.437 382 L N -1.210 119.963 121.223 -0.084 0.000 2.056 382 L HA -0.182 4.162 4.340 0.007 0.000 0.207 382 L C 2.747 179.600 176.870 -0.028 0.000 1.078 382 L CA 0.999 55.821 54.840 -0.030 0.000 0.749 382 L CB -0.447 41.602 42.059 -0.016 0.000 0.901 382 L HN 0.221 nan 8.230 nan 0.000 0.433 383 R N -0.016 120.443 120.500 -0.069 0.000 2.092 383 R HA -0.160 4.184 4.340 0.007 0.000 0.231 383 R C 2.309 178.597 176.300 -0.021 0.000 1.119 383 R CA 1.106 57.159 56.100 -0.078 0.000 0.970 383 R CB -0.221 30.006 30.300 -0.122 0.000 0.864 383 R HN 0.272 nan 8.270 nan 0.000 0.440 384 K N 0.849 121.234 120.400 -0.025 0.000 2.025 384 K HA -0.087 4.237 4.320 0.007 0.000 0.207 384 K C 2.052 178.664 176.600 0.020 0.000 1.049 384 K CA 1.355 57.639 56.287 -0.006 0.000 0.933 384 K CB 0.059 32.544 32.500 -0.024 0.000 0.714 384 K HN 0.090 nan 8.250 nan 0.000 0.438 385 M N -0.102 119.518 119.600 0.033 0.000 2.296 385 M HA -0.076 4.408 4.480 0.007 0.000 0.265 385 M C 2.025 178.335 176.300 0.017 0.000 1.064 385 M CA 1.194 56.554 55.300 0.100 0.000 1.109 385 M CB 0.010 32.729 32.600 0.198 0.000 1.396 385 M HN 0.197 nan 8.290 nan 0.000 0.430 386 A N -0.310 122.520 122.820 0.017 0.000 2.206 386 A HA 0.077 4.402 4.320 0.007 0.000 0.211 386 A C 1.216 178.820 177.584 0.033 0.000 1.158 386 A CA 0.297 52.345 52.037 0.019 0.000 0.761 386 A CB -0.288 18.796 19.000 0.140 0.000 0.801 386 A HN 0.347 nan 8.150 nan 0.000 0.473 387 S N -0.844 114.874 115.700 0.029 0.000 2.608 387 S HA 0.210 4.684 4.470 0.007 0.000 0.261 387 S C 1.184 175.789 174.600 0.008 0.000 1.314 387 S CA 0.034 58.255 58.200 0.036 0.000 0.992 387 S CB 1.307 64.527 63.200 0.032 0.000 0.935 387 S HN 0.329 nan 8.310 nan 0.000 0.564 388 S N 0.346 116.054 115.700 0.013 0.000 2.575 388 S HA 0.152 4.626 4.470 0.007 0.000 0.215 388 S C 0.579 175.188 174.600 0.015 0.000 0.966 388 S CA -0.196 58.007 58.200 0.006 0.000 0.911 388 S CB -0.116 63.085 63.200 0.002 0.000 0.780 388 S HN 0.586 nan 8.310 nan 0.000 0.514 389 S N 1.009 116.722 115.700 0.021 0.000 2.558 389 S HA 0.227 4.702 4.470 0.007 0.000 0.288 389 S C 1.632 176.251 174.600 0.031 0.000 1.318 389 S CA 0.133 58.347 58.200 0.024 0.000 1.056 389 S CB 1.040 64.255 63.200 0.024 0.000 0.853 389 S HN 0.576 nan 8.310 nan 0.000 0.505 390 G N 1.675 110.492 108.800 0.030 0.000 2.476 390 G HA2 -0.247 3.717 3.960 0.007 0.000 0.218 390 G HA3 -0.247 3.717 3.960 0.007 0.000 0.218 390 G C 1.195 176.120 174.900 0.042 0.000 1.164 390 G CA 0.912 46.033 45.100 0.035 0.000 0.768 390 G HN 0.791 nan 8.290 nan 0.000 0.560 391 E N 0.144 120.365 120.200 0.035 0.000 2.051 391 E HA -0.075 4.279 4.350 0.007 0.000 0.192 391 E C 2.726 179.354 176.600 0.047 0.000 0.991 391 E CA 1.008 57.429 56.400 0.035 0.000 0.799 391 E CB -0.441 29.272 29.700 0.023 0.000 0.748 391 E HN 0.357 nan 8.360 nan 0.000 0.449 392 G N 0.963 109.790 108.800 0.046 0.000 2.404 392 G HA2 -0.249 3.715 3.960 0.007 0.000 0.215 392 G HA3 -0.249 3.715 3.960 0.007 0.000 0.215 392 G C 1.496 176.460 174.900 0.106 0.000 1.174 392 G CA 0.734 45.870 45.100 0.059 0.000 0.780 392 G HN 0.172 nan 8.290 nan 0.000 0.537 393 K N -0.027 120.430 120.400 0.095 0.000 2.152 393 K HA -0.086 4.238 4.320 0.007 0.000 0.206 393 K C 2.343 179.059 176.600 0.194 0.000 1.048 393 K CA 1.359 57.730 56.287 0.141 0.000 0.933 393 K CB -0.012 32.545 32.500 0.095 0.000 0.721 393 K HN 0.218 nan 8.250 nan 0.000 0.447 394 E N 0.601 120.880 120.200 0.132 0.000 2.122 394 E HA -0.062 4.293 4.350 0.007 0.000 0.190 394 E C 1.628 178.300 176.600 0.120 0.000 0.977 394 E CA 0.288 56.754 56.400 0.110 0.000 0.820 394 E CB 0.011 29.756 29.700 0.074 0.000 0.770 394 E HN 0.076 nan 8.360 nan 0.000 0.462 395 L N 0.035 121.332 121.223 0.124 0.000 2.093 395 L HA -0.121 4.223 4.340 0.007 0.000 0.208 395 L C 2.043 179.040 176.870 0.212 0.000 1.085 395 L CA 1.711 56.627 54.840 0.128 0.000 0.755 395 L CB -0.815 41.286 42.059 0.069 0.000 0.904 395 L HN 0.259 nan 8.230 nan 0.000 0.435 396 Y N -0.254 120.115 120.300 0.114 0.000 2.114 396 Y HA -0.242 4.311 4.550 0.005 0.000 0.284 396 Y C 2.248 178.232 175.900 0.140 0.000 1.143 396 Y CA 2.051 60.239 58.100 0.146 0.000 1.135 396 Y CB -0.456 38.068 38.460 0.107 0.000 0.980 396 Y HN 0.170 nan 8.280 nan 0.000 0.499 397 L N -0.187 121.045 121.223 0.015 0.000 2.079 397 L HA -0.253 4.091 4.340 0.007 0.000 0.210 397 L C 2.767 179.583 176.870 -0.090 0.000 1.081 397 L CA 1.934 56.717 54.840 -0.096 0.000 0.752 397 L CB -0.772 41.311 42.059 0.040 0.000 0.896 397 L HN 0.450 nan 8.230 nan 0.000 0.433 398 S N -1.869 113.837 115.700 0.010 0.000 2.404 398 S HA -0.165 4.309 4.470 0.007 0.000 0.223 398 S C 1.678 176.313 174.600 0.057 0.000 1.040 398 S CA -0.021 58.199 58.200 0.034 0.000 0.957 398 S CB -0.542 62.702 63.200 0.073 0.000 0.826 398 S HN 0.513 nan 8.310 nan 0.000 0.491 399 W N 1.775 123.030 121.300 -0.075 0.000 2.480 399 W HA 0.208 4.867 4.660 -0.001 0.000 0.299 399 W C 2.081 178.539 176.519 -0.101 0.000 1.187 399 W CA 1.050 58.358 57.345 -0.061 0.000 1.347 399 W CB -0.180 29.268 29.460 -0.020 0.000 1.121 399 W HN 0.128 nan 8.180 nan 0.000 0.533 400 V N -0.709 119.186 119.914 -0.031 0.000 2.326 400 V HA -0.191 3.933 4.120 0.007 0.000 0.238 400 V C 1.833 177.741 176.094 -0.310 0.000 1.038 400 V CA 1.650 63.819 62.300 -0.218 0.000 1.032 400 V CB -1.118 30.568 31.823 -0.228 0.000 0.675 400 V HN -0.040 nan 8.190 nan 0.000 0.467 401 V N -0.341 119.318 119.914 -0.425 0.000 2.283 401 V HA -0.148 3.976 4.120 0.007 0.000 0.243 401 V C 2.542 178.542 176.094 -0.156 0.000 1.039 401 V CA 1.788 63.919 62.300 -0.282 0.000 1.016 401 V CB -0.564 31.081 31.823 -0.297 0.000 0.650 401 V HN 0.498 nan 8.190 nan 0.000 0.449 402 E N 0.200 120.319 120.200 -0.135 0.000 2.152 402 E HA -0.088 4.266 4.350 0.007 0.000 0.192 402 E C 2.166 178.719 176.600 -0.079 0.000 0.983 402 E CA 1.261 57.613 56.400 -0.080 0.000 0.818 402 E CB -0.147 29.523 29.700 -0.049 0.000 0.758 402 E HN 0.530 nan 8.360 nan 0.000 0.467 403 A N 0.863 123.603 122.820 -0.133 0.000 2.235 403 A HA -0.049 4.275 4.320 0.007 0.000 0.208 403 A C 0.515 178.010 177.584 -0.149 0.000 1.172 403 A CA 0.020 51.957 52.037 -0.167 0.000 0.786 403 A CB -0.093 18.717 19.000 -0.316 0.000 0.804 403 A HN 0.100 nan 8.150 nan 0.000 0.479 404 R N -0.430 120.003 120.500 -0.111 0.000 3.322 404 R HA -0.155 4.189 4.340 0.007 0.000 0.253 404 R C -0.766 175.444 176.300 -0.149 0.000 0.987 404 R CA 0.693 56.763 56.100 -0.051 0.000 0.666 404 R CB -2.150 28.219 30.300 0.115 0.000 1.072 404 R HN 0.663 nan 8.270 nan 0.000 0.447 405 R N 1.917 122.253 120.500 -0.273 0.000 2.288 405 R HA 0.053 4.397 4.340 0.007 0.000 0.330 405 R C 0.729 176.876 176.300 -0.255 0.000 1.069 405 R CA -0.179 55.675 56.100 -0.411 0.000 0.941 405 R CB 0.298 30.252 30.300 -0.577 0.000 0.998 405 R HN 0.373 nan 8.270 nan 0.000 0.452 406 H N 0.550 119.563 119.070 -0.095 0.000 2.597 406 H HA 0.033 4.592 4.556 0.006 0.000 0.370 406 H C 1.291 176.595 175.328 -0.040 0.000 1.281 406 H CA -0.850 55.168 56.048 -0.050 0.000 1.422 406 H CB 0.546 30.280 29.762 -0.047 0.000 1.524 406 H HN 0.412 nan 8.280 nan 0.000 0.607 407 I N 0.461 121.131 120.570 0.166 0.000 2.145 407 I HA -0.271 3.903 4.170 0.007 0.000 0.244 407 I C 1.980 178.167 176.117 0.117 0.000 1.075 407 I CA 1.345 62.711 61.300 0.111 0.000 1.332 407 I CB -0.770 37.280 38.000 0.083 0.000 1.033 407 I HN 0.756 nan 8.210 nan 0.000 0.410 408 L N 0.840 122.197 121.223 0.224 0.000 2.012 408 L HA -0.156 4.189 4.340 0.007 0.000 0.210 408 L C 2.494 179.415 176.870 0.085 0.000 1.073 408 L CA 2.396 57.337 54.840 0.169 0.000 0.748 408 L CB -1.139 41.042 42.059 0.203 0.000 0.891 408 L HN 0.303 nan 8.230 nan 0.000 0.431 409 A N -0.523 122.272 122.820 -0.042 0.000 1.933 409 A HA -0.182 4.142 4.320 0.007 0.000 0.218 409 A C 2.250 179.751 177.584 -0.139 0.000 1.175 409 A CA 2.104 53.998 52.037 -0.238 0.000 0.628 409 A CB -0.891 17.742 19.000 -0.611 0.000 0.814 409 A HN 0.549 nan 8.150 nan 0.000 0.444 410 I N -0.588 119.936 120.570 -0.076 0.000 2.353 410 I HA -0.206 3.969 4.170 0.007 0.000 0.248 410 I C 2.299 178.496 176.117 0.134 0.000 1.119 410 I CA 0.812 62.159 61.300 0.078 0.000 1.417 410 I CB -0.272 37.810 38.000 0.136 0.000 1.078 410 I HN 0.282 nan 8.210 nan 0.000 0.421 411 L N 0.036 121.306 121.223 0.079 0.000 2.027 411 L HA -0.230 4.114 4.340 0.007 0.000 0.206 411 L C 2.652 179.559 176.870 0.061 0.000 1.074 411 L CA 1.507 56.387 54.840 0.067 0.000 0.745 411 L CB -0.635 41.449 42.059 0.041 0.000 0.898 411 L HN 0.282 nan 8.230 nan 0.000 0.433 412 Q N -0.248 119.579 119.800 0.046 0.000 2.084 412 Q HA -0.202 4.142 4.340 0.007 0.000 0.202 412 Q C 1.519 177.555 176.000 0.060 0.000 0.978 412 Q CA 1.510 57.336 55.803 0.038 0.000 0.844 412 Q CB -0.048 28.700 28.738 0.017 0.000 0.898 412 Q HN 0.478 nan 8.270 nan 0.000 0.426 413 D N -0.869 119.588 120.400 0.095 0.000 2.333 413 D HA 0.009 4.654 4.640 0.007 0.000 0.208 413 D C -0.010 176.399 176.300 0.182 0.000 0.984 413 D CA 0.424 54.521 54.000 0.161 0.000 0.873 413 D CB 0.289 41.243 40.800 0.257 0.000 0.935 413 D HN 0.150 nan 8.370 nan 0.000 0.521 414 C N 2.904 122.302 119.300 0.164 0.000 2.566 414 C HA 0.231 4.695 4.460 0.007 0.000 0.300 414 C C -1.216 173.816 174.990 0.071 0.000 1.147 414 C CA -1.305 57.776 59.018 0.105 0.000 1.644 414 C CB 0.701 28.509 27.740 0.112 0.000 1.691 414 C HN 0.179 nan 8.230 nan 0.000 0.440 415 P HA -0.080 nan 4.420 nan 0.000 0.225 415 P C 1.036 178.355 177.300 0.032 0.000 1.148 415 P CA 1.313 64.436 63.100 0.038 0.000 0.779 415 P CB 0.175 31.894 31.700 0.031 0.000 0.780 416 S N -0.562 115.157 115.700 0.032 0.000 2.548 416 S HA 0.081 4.555 4.470 0.007 0.000 0.215 416 S C 0.949 175.575 174.600 0.043 0.000 0.976 416 S CA -0.260 57.958 58.200 0.030 0.000 0.908 416 S CB -0.282 62.930 63.200 0.019 0.000 0.781 416 S HN 0.116 nan 8.310 nan 0.000 0.519 417 L N 3.792 125.046 121.223 0.052 0.000 2.363 417 L HA 0.327 4.671 4.340 0.007 0.000 0.286 417 L C -0.630 176.273 176.870 0.056 0.000 1.106 417 L CA 0.379 55.262 54.840 0.072 0.000 0.859 417 L CB -0.059 42.047 42.059 0.078 0.000 1.223 417 L HN 0.039 nan 8.230 nan 0.000 0.446 418 R N 5.841 126.380 120.500 0.064 0.000 2.547 418 R HA 0.432 4.776 4.340 0.007 0.000 0.280 418 R C -2.500 173.756 176.300 -0.074 0.000 1.630 418 R CA -1.519 54.583 56.100 0.004 0.000 1.470 418 R CB 1.261 31.569 30.300 0.012 0.000 1.178 418 R HN 0.435 nan 8.270 nan 0.000 0.591 419 P HA 0.367 nan 4.420 nan 0.000 0.278 419 P C -2.547 174.472 177.300 -0.469 0.000 1.266 419 P CA -1.691 60.994 63.100 -0.693 0.000 0.807 419 P CB 0.125 31.467 31.700 -0.597 0.000 1.094 420 P HA 0.221 nan 4.420 nan 0.000 0.286 420 P C 0.920 178.100 177.300 -0.199 0.000 1.269 420 P CA -0.364 62.585 63.100 -0.252 0.000 0.787 420 P CB 0.908 32.519 31.700 -0.149 0.000 0.920 421 I N 3.085 123.511 120.570 -0.241 0.000 2.185 421 I HA -0.321 3.853 4.170 0.007 0.000 0.246 421 I C 1.779 177.795 176.117 -0.169 0.000 1.088 421 I CA 2.215 63.327 61.300 -0.314 0.000 1.347 421 I CB -0.305 37.290 38.000 -0.676 0.000 1.041 421 I HN 0.428 nan 8.210 nan 0.000 0.415 422 D N -1.159 119.200 120.400 -0.069 0.000 2.178 422 D HA -0.321 4.323 4.640 0.007 0.000 0.202 422 D C 2.014 178.442 176.300 0.214 0.000 0.974 422 D CA 1.876 55.987 54.000 0.185 0.000 0.841 422 D CB -0.836 40.109 40.800 0.241 0.000 0.953 422 D HN 0.687 nan 8.370 nan 0.000 0.478 423 H N -0.399 118.698 119.070 0.045 0.000 2.395 423 H HA -0.034 4.527 4.556 0.008 0.000 0.299 423 H C 2.310 177.693 175.328 0.092 0.000 1.070 423 H CA 0.410 56.510 56.048 0.086 0.000 1.356 423 H CB 0.207 30.018 29.762 0.082 0.000 1.401 423 H HN 0.034 nan 8.280 nan 0.000 0.524 424 L N 0.538 121.834 121.223 0.122 0.000 1.994 424 L HA -0.200 4.144 4.340 0.007 0.000 0.208 424 L C 2.460 179.412 176.870 0.138 0.000 1.071 424 L CA 1.555 56.430 54.840 0.058 0.000 0.745 424 L CB -0.951 41.098 42.059 -0.016 0.000 0.892 424 L HN 0.417 nan 8.230 nan 0.000 0.431 425 C N -0.175 119.233 119.300 0.180 0.000 2.403 425 C HA -0.189 4.275 4.460 0.007 0.000 0.279 425 C C 2.723 177.919 174.990 0.344 0.000 1.269 425 C CA 1.148 60.343 59.018 0.294 0.000 1.774 425 C CB -1.150 26.859 27.740 0.447 0.000 1.993 425 C HN 0.702 nan 8.230 nan 0.000 0.496 426 E N 0.360 120.724 120.200 0.273 0.000 2.150 426 E HA -0.150 4.204 4.350 0.007 0.000 0.193 426 E C 1.852 178.605 176.600 0.254 0.000 0.985 426 E CA 1.052 57.594 56.400 0.235 0.000 0.814 426 E CB -0.079 29.811 29.700 0.317 0.000 0.752 426 E HN 0.650 nan 8.360 nan 0.000 0.466 427 L N 0.453 121.819 121.223 0.238 0.000 2.354 427 L HA 0.095 4.440 4.340 0.007 0.000 0.212 427 L C 0.522 177.484 176.870 0.153 0.000 1.091 427 L CA -0.413 54.541 54.840 0.191 0.000 0.828 427 L CB 0.057 42.203 42.059 0.145 0.000 0.973 427 L HN 0.128 nan 8.230 nan 0.000 0.461 428 L N 1.431 122.742 121.223 0.147 0.000 2.456 428 L HA 0.146 4.490 4.340 0.007 0.000 0.272 428 L C -1.744 175.203 176.870 0.129 0.000 1.189 428 L CA -1.580 53.332 54.840 0.121 0.000 0.846 428 L CB -0.584 41.534 42.059 0.098 0.000 1.111 428 L HN -0.128 nan 8.230 nan 0.000 0.475 429 P HA 0.187 nan 4.420 nan 0.000 0.274 429 P C -0.463 176.898 177.300 0.103 0.000 1.256 429 P CA -0.716 62.448 63.100 0.106 0.000 0.795 429 P CB 0.556 32.312 31.700 0.093 0.000 1.038 430 R N 0.535 121.098 120.500 0.106 0.000 2.543 430 R HA 0.213 4.558 4.340 0.007 0.000 0.277 430 R C -0.039 176.313 176.300 0.087 0.000 1.074 430 R CA -0.865 55.297 56.100 0.103 0.000 1.076 430 R CB -0.344 30.015 30.300 0.099 0.000 0.993 430 R HN 0.450 nan 8.270 nan 0.000 0.459 431 L N 4.270 125.540 121.223 0.078 0.000 2.433 431 L HA 0.014 4.358 4.340 0.007 0.000 0.275 431 L C 0.062 177.004 176.870 0.121 0.000 1.128 431 L CA 0.622 55.502 54.840 0.068 0.000 0.875 431 L CB 0.440 42.518 42.059 0.032 0.000 1.171 431 L HN 0.322 nan 8.230 nan 0.000 0.463 432 Q N 3.539 123.411 119.800 0.120 0.000 2.260 432 Q HA 0.526 4.870 4.340 0.007 0.000 0.238 432 Q C -0.097 176.007 176.000 0.173 0.000 0.948 432 Q CA -0.235 55.669 55.803 0.168 0.000 0.895 432 Q CB 1.371 30.187 28.738 0.130 0.000 1.218 432 Q HN 0.816 nan 8.270 nan 0.000 0.470 433 A N 1.808 124.742 122.820 0.190 0.000 2.406 433 A HA 0.389 4.714 4.320 0.007 0.000 0.243 433 A C -0.120 177.346 177.584 -0.196 0.000 1.082 433 A CA 0.012 51.980 52.037 -0.115 0.000 0.786 433 A CB 0.339 19.083 19.000 -0.427 0.000 1.029 433 A HN 0.605 nan 8.150 nan 0.000 0.495 434 R N -0.340 119.970 120.500 -0.316 0.000 2.599 434 R HA 0.524 4.869 4.340 0.007 0.000 0.295 434 R C -1.769 174.226 176.300 -0.507 0.000 0.963 434 R CA -0.246 55.692 56.100 -0.270 0.000 0.883 434 R CB 1.493 31.753 30.300 -0.066 0.000 1.171 434 R HN 0.738 nan 8.270 nan 0.000 0.450 435 Y N 1.787 121.745 120.300 -0.569 0.000 2.420 435 Y HA 0.452 5.006 4.550 0.007 0.000 0.334 435 Y C -0.651 174.606 175.900 -1.071 0.000 1.094 435 Y CA -0.334 57.400 58.100 -0.610 0.000 1.126 435 Y CB 1.402 39.533 38.460 -0.548 0.000 1.217 435 Y HN 0.432 nan 8.280 nan 0.000 0.462 436 Y N -0.589 119.602 120.300 -0.183 0.000 2.504 436 Y HA 0.341 4.895 4.550 0.006 0.000 0.344 436 Y C -0.346 175.496 175.900 -0.096 0.000 1.023 436 Y CA -1.279 56.672 58.100 -0.247 0.000 1.020 436 Y CB 2.070 40.406 38.460 -0.206 0.000 1.282 436 Y HN 0.397 nan 8.280 nan 0.000 0.454 437 S N 3.877 119.585 115.700 0.014 0.000 2.430 437 S HA 0.316 4.790 4.470 0.007 0.000 0.282 437 S C 0.169 174.763 174.600 -0.010 0.000 1.186 437 S CA -0.517 57.708 58.200 0.041 0.000 1.060 437 S CB -0.486 62.741 63.200 0.046 0.000 0.966 437 S HN 0.421 nan 8.310 nan 0.000 0.501 438 I N 2.658 123.199 120.570 -0.049 0.000 2.906 438 I HA -0.122 4.053 4.170 0.007 0.000 0.301 438 I C 1.048 177.152 176.117 -0.021 0.000 1.221 438 I CA 0.203 61.459 61.300 -0.072 0.000 1.435 438 I CB 0.316 38.232 38.000 -0.141 0.000 1.345 438 I HN 0.706 nan 8.210 nan 0.000 0.558 439 A N 5.540 128.370 122.820 0.016 0.000 2.713 439 A HA 0.399 4.724 4.320 0.007 0.000 0.296 439 A C 0.280 177.923 177.584 0.098 0.000 1.255 439 A CA -0.157 51.914 52.037 0.058 0.000 0.955 439 A CB -0.187 18.885 19.000 0.121 0.000 1.149 439 A HN 0.698 nan 8.150 nan 0.000 0.538 440 S N -1.134 114.601 115.700 0.058 0.000 2.569 440 S HA 0.682 5.156 4.470 0.007 0.000 0.280 440 S C -0.327 174.393 174.600 0.200 0.000 1.111 440 S CA -0.417 57.810 58.200 0.044 0.000 0.887 440 S CB 1.506 64.465 63.200 -0.401 0.000 1.095 440 S HN 0.503 nan 8.310 nan 0.000 0.476 441 S N 0.836 116.620 115.700 0.141 0.000 2.525 441 S HA 0.375 4.849 4.470 0.007 0.000 0.278 441 S C 1.291 175.799 174.600 -0.153 0.000 1.234 441 S CA -0.091 58.101 58.200 -0.013 0.000 1.058 441 S CB 0.638 63.772 63.200 -0.110 0.000 0.983 441 S HN 1.114 nan 8.310 nan 0.000 0.495 442 S N 4.462 119.845 115.700 -0.529 0.000 2.474 442 S HA -0.045 4.429 4.470 0.007 0.000 0.235 442 S C 1.344 175.642 174.600 -0.504 0.000 0.997 442 S CA 0.626 58.379 58.200 -0.744 0.000 0.949 442 S CB -0.338 62.168 63.200 -1.157 0.000 0.766 442 S HN 0.815 nan 8.310 nan 0.000 0.517 443 K N 0.787 120.832 120.400 -0.590 0.000 2.296 443 K HA 0.096 4.420 4.320 0.007 0.000 0.200 443 K C 2.049 178.065 176.600 -0.973 0.000 1.048 443 K CA 1.124 56.856 56.287 -0.925 0.000 0.966 443 K CB -0.062 31.623 32.500 -1.358 0.000 0.754 443 K HN 0.492 nan 8.250 nan 0.000 0.466 444 V N -2.117 117.407 119.914 -0.650 0.000 3.523 444 V HA 0.115 4.240 4.120 0.007 0.000 0.255 444 V C 0.271 176.017 176.094 -0.581 0.000 1.226 444 V CA 0.307 62.279 62.300 -0.546 0.000 1.092 444 V CB 0.149 31.706 31.823 -0.444 0.000 0.817 444 V HN 0.176 nan 8.190 nan 0.000 0.458 445 H N 1.476 120.464 119.070 -0.137 0.000 2.439 445 H HA 0.402 4.963 4.556 0.007 0.000 0.230 445 H C -2.153 173.165 175.328 -0.017 0.000 1.420 445 H CA -1.291 54.723 56.048 -0.057 0.000 1.305 445 H CB 1.035 30.726 29.762 -0.117 0.000 1.667 445 H HN 0.376 nan 8.280 nan 0.000 0.515 446 P HA -0.115 nan 4.420 nan 0.000 0.217 446 P C 0.348 177.703 177.300 0.091 0.000 1.150 446 P CA 1.161 64.243 63.100 -0.030 0.000 0.832 446 P CB 0.424 32.077 31.700 -0.079 0.000 0.787 447 N N -1.151 117.604 118.700 0.092 0.000 2.273 447 N HA 0.148 4.892 4.740 0.007 0.000 0.231 447 N C -0.299 175.264 175.510 0.088 0.000 1.134 447 N CA -0.083 53.010 53.050 0.072 0.000 0.856 447 N CB 0.456 38.968 38.487 0.042 0.000 1.068 447 N HN -0.061 nan 8.380 nan 0.000 0.510 448 S N 0.249 116.026 115.700 0.130 0.000 2.575 448 S HA 0.477 4.951 4.470 0.007 0.000 0.278 448 S C -1.315 173.251 174.600 -0.056 0.000 1.139 448 S CA -0.551 57.693 58.200 0.075 0.000 0.954 448 S CB 0.970 64.258 63.200 0.147 0.000 1.054 448 S HN -0.138 nan 8.310 nan 0.000 0.483 449 V N 5.835 125.670 119.914 -0.133 0.000 2.384 449 V HA 0.472 4.596 4.120 0.007 0.000 0.287 449 V C -0.406 175.635 176.094 -0.088 0.000 1.020 449 V CA -0.634 61.462 62.300 -0.340 0.000 0.850 449 V CB 1.116 32.684 31.823 -0.425 0.000 0.987 449 V HN 0.926 nan 8.190 nan 0.000 0.436 450 H N 4.700 123.618 119.070 -0.254 0.000 2.463 450 H HA 0.652 5.212 4.556 0.007 0.000 0.332 450 H C -0.726 174.471 175.328 -0.219 0.000 1.127 450 H CA -0.768 55.127 56.048 -0.256 0.000 1.238 450 H CB 2.175 31.850 29.762 -0.145 0.000 1.478 450 H HN 0.459 nan 8.280 nan 0.000 0.499 451 I N 2.073 122.541 120.570 -0.171 0.000 2.509 451 I HA 0.183 4.357 4.170 0.007 0.000 0.293 451 I C -0.746 175.320 176.117 -0.084 0.000 1.020 451 I CA -0.672 60.539 61.300 -0.147 0.000 1.088 451 I CB 1.952 39.773 38.000 -0.299 0.000 1.267 451 I HN 0.553 nan 8.210 nan 0.000 0.430 452 C N 6.453 125.791 119.300 0.064 0.000 2.322 452 C HA 0.924 5.388 4.460 0.007 0.000 0.324 452 C C -0.222 174.859 174.990 0.153 0.000 1.249 452 C CA -0.042 59.082 59.018 0.178 0.000 1.453 452 C CB -0.208 27.744 27.740 0.353 0.000 2.145 452 C HN 0.868 nan 8.230 nan 0.000 0.466 453 A N 4.658 127.541 122.820 0.106 0.000 2.549 453 A HA 0.717 5.041 4.320 0.007 0.000 0.297 453 A C -1.192 176.475 177.584 0.138 0.000 1.061 453 A CA -0.409 51.713 52.037 0.142 0.000 0.690 453 A CB 1.432 20.474 19.000 0.070 0.000 1.287 453 A HN 1.452 nan 8.150 nan 0.000 0.402 454 V N 2.470 122.491 119.914 0.177 0.000 2.465 454 V HA 0.497 4.622 4.120 0.007 0.000 0.279 454 V C 0.079 176.273 176.094 0.168 0.000 1.045 454 V CA -0.319 62.078 62.300 0.162 0.000 0.938 454 V CB 1.353 33.276 31.823 0.166 0.000 0.986 454 V HN 0.991 nan 8.190 nan 0.000 0.467 455 V N 7.824 127.842 119.914 0.173 0.000 2.572 455 V HA 0.202 4.326 4.120 0.007 0.000 0.291 455 V C 0.172 176.357 176.094 0.151 0.000 1.039 455 V CA 0.187 62.578 62.300 0.151 0.000 1.055 455 V CB 1.661 33.561 31.823 0.128 0.000 0.969 455 V HN 0.714 nan 8.190 nan 0.000 0.482 456 V N 7.331 127.338 119.914 0.155 0.000 2.389 456 V HA 0.416 4.541 4.120 0.007 0.000 0.264 456 V C 0.135 176.342 176.094 0.189 0.000 1.049 456 V CA -0.020 62.399 62.300 0.199 0.000 0.932 456 V CB 0.938 32.889 31.823 0.214 0.000 1.011 456 V HN 0.972 nan 8.190 nan 0.000 0.475 457 E N 5.843 126.177 120.200 0.222 0.000 2.367 457 E HA 0.515 4.869 4.350 0.007 0.000 0.292 457 E C -1.840 174.862 176.600 0.170 0.000 0.900 457 E CA -0.618 55.842 56.400 0.101 0.000 0.807 457 E CB 1.602 31.334 29.700 0.053 0.000 1.337 457 E HN 0.698 nan 8.360 nan 0.000 0.394 458 Y N 0.857 121.172 120.300 0.025 0.000 2.581 458 Y HA 0.499 5.053 4.550 0.008 0.000 0.337 458 Y C -1.077 174.829 175.900 0.011 0.000 1.108 458 Y CA -1.230 56.882 58.100 0.020 0.000 1.033 458 Y CB 0.995 39.468 38.460 0.022 0.000 1.318 458 Y HN 0.329 nan 8.280 nan 0.000 0.459 459 E N 1.802 122.080 120.200 0.131 0.000 2.301 459 E HA 0.417 4.772 4.350 0.007 0.000 0.275 459 E C -0.340 176.351 176.600 0.152 0.000 1.030 459 E CA -0.487 55.947 56.400 0.056 0.000 0.852 459 E CB 1.153 30.880 29.700 0.045 0.000 1.060 459 E HN 0.837 nan 8.360 nan 0.000 0.401 460 T N 1.028 115.618 114.554 0.059 0.000 2.881 460 T HA 0.245 4.600 4.350 0.007 0.000 0.278 460 T C 0.970 175.683 174.700 0.022 0.000 0.982 460 T CA -0.586 61.556 62.100 0.070 0.000 0.989 460 T CB 1.153 70.013 68.868 -0.013 0.000 1.058 460 T HN 0.488 nan 8.240 nan 0.000 0.529 461 K N 0.568 120.970 120.400 0.002 0.000 2.103 461 K HA -0.024 4.300 4.320 0.007 0.000 0.207 461 K C 1.985 178.570 176.600 -0.025 0.000 1.048 461 K CA 1.461 57.742 56.287 -0.010 0.000 0.930 461 K CB -0.459 32.029 32.500 -0.020 0.000 0.716 461 K HN 0.719 nan 8.250 nan 0.000 0.444 462 A N 0.318 123.100 122.820 -0.063 0.000 2.359 462 A HA 0.287 4.611 4.320 0.007 0.000 0.240 462 A C 1.253 178.802 177.584 -0.058 0.000 1.306 462 A CA 0.540 52.532 52.037 -0.075 0.000 0.898 462 A CB -0.751 18.156 19.000 -0.154 0.000 0.956 462 A HN 0.429 nan 8.150 nan 0.000 0.497 463 G N -0.401 108.378 108.800 -0.036 0.000 2.189 463 G HA2 -0.308 3.656 3.960 0.007 0.000 0.267 463 G HA3 -0.308 3.656 3.960 0.007 0.000 0.267 463 G C 0.527 175.403 174.900 -0.040 0.000 0.975 463 G CA 0.583 45.667 45.100 -0.027 0.000 0.644 463 G HN 0.659 nan 8.290 nan 0.000 0.537 464 R N -0.199 120.263 120.500 -0.064 0.000 2.582 464 R HA 0.537 4.881 4.340 0.007 0.000 0.271 464 R C 0.504 176.751 176.300 -0.089 0.000 1.078 464 R CA -0.273 55.783 56.100 -0.074 0.000 1.127 464 R CB 0.663 30.901 30.300 -0.104 0.000 1.038 464 R HN 0.293 nan 8.270 nan 0.000 0.500 465 I N 2.173 122.687 120.570 -0.093 0.000 2.312 465 I HA 0.171 4.345 4.170 0.007 0.000 0.290 465 I C -0.014 175.978 176.117 -0.207 0.000 1.008 465 I CA -0.293 60.919 61.300 -0.147 0.000 1.226 465 I CB 1.091 39.032 38.000 -0.098 0.000 1.371 465 I HN 0.465 nan 8.210 nan 0.000 0.468 466 N N 6.325 124.763 118.700 -0.437 0.000 2.498 466 N HA 0.359 5.103 4.740 0.007 0.000 0.287 466 N C -0.763 174.498 175.510 -0.415 0.000 1.097 466 N CA -0.711 52.061 53.050 -0.464 0.000 0.973 466 N CB 1.461 39.481 38.487 -0.779 0.000 1.153 466 N HN 0.454 nan 8.380 nan 0.000 0.472 467 K N 0.680 120.959 120.400 -0.202 0.000 2.413 467 K HA 0.293 4.617 4.320 0.007 0.000 0.257 467 K C -0.300 176.286 176.600 -0.023 0.000 0.946 467 K CA -0.668 55.560 56.287 -0.097 0.000 0.823 467 K CB 1.819 34.273 32.500 -0.077 0.000 1.109 467 K HN 0.565 nan 8.250 nan 0.000 0.427 468 G N 1.679 110.512 108.800 0.054 0.000 2.365 468 G HA2 0.086 4.050 3.960 0.007 0.000 0.249 468 G HA3 0.086 4.050 3.960 0.007 0.000 0.249 468 G C 1.068 176.009 174.900 0.068 0.000 1.288 468 G CA -0.528 44.628 45.100 0.092 0.000 0.887 468 G HN 0.396 nan 8.290 nan 0.000 0.524 469 V N 3.469 123.412 119.914 0.047 0.000 2.223 469 V HA -0.228 3.897 4.120 0.007 0.000 0.244 469 V C 3.200 179.348 176.094 0.089 0.000 1.045 469 V CA 2.551 64.862 62.300 0.018 0.000 1.000 469 V CB -1.158 30.639 31.823 -0.043 0.000 0.635 469 V HN 0.838 nan 8.190 nan 0.000 0.445 470 A N 0.688 123.576 122.820 0.114 0.000 1.933 470 A HA -0.213 4.111 4.320 0.007 0.000 0.218 470 A C 2.442 180.219 177.584 0.323 0.000 1.175 470 A CA 2.613 54.797 52.037 0.245 0.000 0.628 470 A CB -0.971 18.175 19.000 0.243 0.000 0.814 470 A HN 0.683 nan 8.150 nan 0.000 0.444 471 T N -2.401 112.278 114.554 0.209 0.000 2.896 471 T HA -0.069 4.285 4.350 0.007 0.000 0.263 471 T C 1.647 176.400 174.700 0.089 0.000 1.050 471 T CA 1.161 63.342 62.100 0.135 0.000 1.140 471 T CB -0.517 68.438 68.868 0.144 0.000 0.877 471 T HN 0.485 nan 8.240 nan 0.000 0.457 472 N N 0.017 118.776 118.700 0.099 0.000 2.216 472 N HA -0.053 4.692 4.740 0.007 0.000 0.183 472 N C 1.541 177.099 175.510 0.080 0.000 1.017 472 N CA 1.213 54.293 53.050 0.049 0.000 0.861 472 N CB -0.231 38.275 38.487 0.031 0.000 0.986 472 N HN 0.591 nan 8.380 nan 0.000 0.428 473 W N 2.526 123.791 121.300 -0.058 0.000 2.354 473 W HA -0.040 4.624 4.660 0.007 0.000 0.315 473 W C 1.944 178.421 176.519 -0.070 0.000 1.206 473 W CA 0.921 58.230 57.345 -0.060 0.000 1.290 473 W CB -0.599 28.835 29.460 -0.044 0.000 1.152 473 W HN -0.095 nan 8.180 nan 0.000 0.489 474 L N 0.635 121.782 121.223 -0.126 0.000 2.042 474 L HA -0.231 4.114 4.340 0.007 0.000 0.210 474 L C 2.920 179.613 176.870 -0.294 0.000 1.076 474 L CA 1.876 56.479 54.840 -0.396 0.000 0.749 474 L CB -0.967 40.951 42.059 -0.235 0.000 0.893 474 L HN 0.033 nan 8.230 nan 0.000 0.432 475 R N 0.436 120.838 120.500 -0.163 0.000 2.105 475 R HA -0.175 4.169 4.340 0.007 0.000 0.239 475 R C 2.063 178.262 176.300 -0.169 0.000 1.135 475 R CA 1.498 57.511 56.100 -0.145 0.000 0.967 475 R CB -0.150 30.061 30.300 -0.147 0.000 0.861 475 R HN 0.357 nan 8.270 nan 0.000 0.442 476 A N 0.944 123.658 122.820 -0.178 0.000 2.167 476 A HA 0.033 4.357 4.320 0.007 0.000 0.214 476 A C 0.354 177.818 177.584 -0.200 0.000 1.151 476 A CA 0.282 52.223 52.037 -0.160 0.000 0.735 476 A CB 0.040 18.971 19.000 -0.114 0.000 0.802 476 A HN 0.036 nan 8.150 nan 0.000 0.467 477 K N 2.699 122.923 120.400 -0.293 0.000 2.351 477 K HA 0.114 4.438 4.320 0.007 0.000 0.287 477 K C -0.538 175.941 176.600 -0.202 0.000 1.068 477 K CA 0.311 56.417 56.287 -0.301 0.000 0.998 477 K CB 0.261 32.500 32.500 -0.434 0.000 0.968 477 K HN 0.391 nan 8.250 nan 0.000 0.464 478 E N 3.780 123.888 120.200 -0.152 0.000 2.227 478 E HA 0.133 4.487 4.350 0.007 0.000 0.282 478 E C -1.699 174.839 176.600 -0.104 0.000 1.015 478 E CA -1.955 54.379 56.400 -0.110 0.000 0.823 478 E CB 1.056 30.706 29.700 -0.084 0.000 1.081 478 E HN 0.200 nan 8.360 nan 0.000 0.396 479 P HA -0.054 nan 4.420 nan 0.000 0.236 479 P C -0.373 176.892 177.300 -0.059 0.000 1.172 479 P CA 0.807 63.860 63.100 -0.077 0.000 0.759 479 P CB 0.441 32.102 31.700 -0.066 0.000 0.843 487 A N 2.022 124.787 122.820 -0.091 0.000 2.256 487 A HA 0.777 5.101 4.320 0.007 0.000 0.317 487 A C -0.432 177.064 177.584 -0.147 0.000 1.318 487 A CA -0.467 51.498 52.037 -0.121 0.000 0.894 487 A CB 0.163 19.073 19.000 -0.151 0.000 1.165 487 A HN 0.755 nan 8.150 nan 0.000 0.525 488 L N 2.668 123.812 121.223 -0.132 0.000 2.334 488 L HA 0.626 4.971 4.340 0.007 0.000 0.276 488 L C -0.668 176.133 176.870 -0.115 0.000 1.014 488 L CA -0.927 53.826 54.840 -0.145 0.000 0.815 488 L CB 2.114 44.083 42.059 -0.150 0.000 1.268 488 L HN 0.361 nan 8.230 nan 0.000 0.428 489 V N 3.401 123.242 119.914 -0.122 0.000 2.376 489 V HA 0.340 4.464 4.120 0.007 0.000 0.287 489 V C -2.266 173.850 176.094 0.037 0.000 1.015 489 V CA -1.797 60.513 62.300 0.015 0.000 0.834 489 V CB 1.729 33.489 31.823 -0.105 0.000 1.001 489 V HN 0.562 nan 8.190 nan 0.000 0.428 490 P HA 0.388 nan 4.420 nan 0.000 0.267 490 P C -0.686 176.697 177.300 0.138 0.000 1.205 490 P CA -0.114 63.003 63.100 0.028 0.000 0.765 490 P CB 0.629 32.368 31.700 0.065 0.000 0.828 491 M N 2.848 122.525 119.600 0.128 0.000 2.721 491 M HA 0.833 5.317 4.480 0.007 0.000 0.271 491 M C -1.428 175.022 176.300 0.251 0.000 1.259 491 M CA -0.938 54.400 55.300 0.064 0.000 0.835 491 M CB 1.604 34.193 32.600 -0.019 0.000 1.689 491 M HN 0.244 nan 8.290 nan 0.000 0.470 492 F N -2.152 117.793 119.950 -0.008 0.000 2.773 492 F HA 0.904 5.435 4.527 0.007 0.000 0.314 492 F C -2.111 173.710 175.800 0.034 0.000 1.160 492 F CA -1.370 56.664 58.000 0.058 0.000 0.920 492 F CB 0.816 39.880 39.000 0.107 0.000 1.323 492 F HN 0.505 nan 8.300 nan 0.000 0.457 493 V N 2.008 122.064 119.914 0.236 0.000 2.417 493 V HA 0.663 4.787 4.120 0.007 0.000 0.291 493 V C -0.643 175.620 176.094 0.281 0.000 1.024 493 V CA -0.770 61.614 62.300 0.140 0.000 0.861 493 V CB 1.703 33.610 31.823 0.140 0.000 0.985 493 V HN 0.876 nan 8.190 nan 0.000 0.436 494 R N 3.876 124.531 120.500 0.258 0.000 2.387 494 R HA 0.573 4.917 4.340 0.007 0.000 0.314 494 R C -0.480 175.959 176.300 0.233 0.000 0.958 494 R CA -0.762 55.519 56.100 0.301 0.000 0.846 494 R CB 1.096 31.621 30.300 0.376 0.000 1.147 494 R HN 0.344 nan 8.270 nan 0.000 0.447 495 K N 2.166 122.687 120.400 0.201 0.000 2.448 495 K HA 0.074 4.398 4.320 0.007 0.000 0.278 495 K C -0.024 176.680 176.600 0.175 0.000 1.009 495 K CA 0.217 56.607 56.287 0.172 0.000 0.995 495 K CB 1.219 33.811 32.500 0.153 0.000 0.917 495 K HN 0.952 nan 8.250 nan 0.000 0.481 496 S N 1.452 117.251 115.700 0.165 0.000 2.806 496 S HA 0.348 4.822 4.470 0.007 0.000 0.315 496 S C 0.118 174.842 174.600 0.208 0.000 1.127 496 S CA -0.664 57.648 58.200 0.187 0.000 0.918 496 S CB 1.346 64.642 63.200 0.160 0.000 1.240 496 S HN 0.399 nan 8.310 nan 0.000 0.552 497 Q N -0.205 119.742 119.800 0.245 0.000 2.188 497 Q HA 0.439 4.783 4.340 0.007 0.000 0.212 497 Q C -1.115 175.069 176.000 0.306 0.000 0.846 497 Q CA -0.107 55.840 55.803 0.240 0.000 0.989 497 Q CB 0.003 28.858 28.738 0.195 0.000 1.114 497 Q HN 0.612 nan 8.270 nan 0.000 0.488 498 F N 2.452 122.515 119.950 0.187 0.000 2.405 498 F HA 0.365 4.896 4.527 0.007 0.000 0.358 498 F C -0.195 175.777 175.800 0.286 0.000 1.151 498 F CA -0.366 57.799 58.000 0.276 0.000 1.161 498 F CB 0.247 39.372 39.000 0.207 0.000 1.245 498 F HN -0.195 nan 8.300 nan 0.000 0.545 499 R N 5.471 126.070 120.500 0.164 0.000 2.725 499 R HA 0.421 4.765 4.340 0.007 0.000 0.277 499 R C -0.841 175.233 176.300 -0.377 0.000 0.987 499 R CA -1.091 54.954 56.100 -0.091 0.000 0.901 499 R CB 2.084 32.311 30.300 -0.121 0.000 1.207 499 R HN 0.632 nan 8.270 nan 0.000 0.463 500 L N 3.026 123.704 121.223 -0.909 0.000 2.492 500 L HA 0.131 4.475 4.340 0.007 0.000 0.280 500 L C -1.694 174.766 176.870 -0.683 0.000 1.240 500 L CA -1.280 52.989 54.840 -0.951 0.000 0.831 500 L CB 0.128 41.587 42.059 -1.000 0.000 1.100 500 L HN 0.227 nan 8.230 nan 0.000 0.505 501 P HA 0.038 nan 4.420 nan 0.000 0.271 501 P C -0.082 176.957 177.300 -0.435 0.000 1.216 501 P CA 0.015 62.772 63.100 -0.572 0.000 0.771 501 P CB 0.356 31.638 31.700 -0.697 0.000 0.864 502 F N 0.550 120.411 119.950 -0.148 0.000 2.407 502 F HA 0.019 4.550 4.527 0.007 0.000 0.299 502 F C 1.617 177.368 175.800 -0.082 0.000 1.097 502 F CA 1.055 58.997 58.000 -0.096 0.000 1.422 502 F CB -0.052 38.914 39.000 -0.056 0.000 1.067 502 F HN 0.148 nan 8.300 nan 0.000 0.539 503 K N 1.340 121.776 120.400 0.061 0.000 2.273 503 K HA 0.332 4.657 4.320 0.007 0.000 0.287 503 K C 1.045 177.616 176.600 -0.048 0.000 1.089 503 K CA 0.013 56.307 56.287 0.013 0.000 0.909 503 K CB 1.067 33.576 32.500 0.015 0.000 1.123 503 K HN 0.121 nan 8.250 nan 0.000 0.473 504 A N 2.942 125.739 122.820 -0.037 0.000 1.978 504 A HA -0.169 4.155 4.320 0.007 0.000 0.220 504 A C 1.868 179.416 177.584 -0.060 0.000 1.170 504 A CA 2.291 54.292 52.037 -0.059 0.000 0.636 504 A CB -0.708 18.269 19.000 -0.038 0.000 0.810 504 A HN 0.857 nan 8.150 nan 0.000 0.448 505 T N -2.672 111.857 114.554 -0.041 0.000 3.051 505 T HA 0.004 4.358 4.350 0.007 0.000 0.269 505 T C 0.801 175.481 174.700 -0.034 0.000 1.127 505 T CA 1.119 63.200 62.100 -0.032 0.000 1.107 505 T CB -0.933 67.924 68.868 -0.020 0.000 0.898 505 T HN 0.292 nan 8.240 nan 0.000 0.517 506 T N 4.658 119.179 114.554 -0.055 0.000 2.834 506 T HA 0.313 4.667 4.350 0.007 0.000 0.298 506 T C -2.504 172.167 174.700 -0.049 0.000 0.966 506 T CA -1.012 61.057 62.100 -0.052 0.000 1.141 506 T CB 0.857 69.663 68.868 -0.104 0.000 0.905 506 T HN 0.220 nan 8.240 nan 0.000 0.535 507 P HA 0.226 nan 4.420 nan 0.000 0.269 507 P C -0.632 176.687 177.300 0.032 0.000 1.209 507 P CA -0.468 62.637 63.100 0.008 0.000 0.776 507 P CB 0.433 32.138 31.700 0.009 0.000 0.876 508 V N 1.023 120.967 119.914 0.050 0.000 2.656 508 V HA 0.638 4.762 4.120 0.007 0.000 0.307 508 V C -0.746 175.425 176.094 0.128 0.000 1.051 508 V CA -0.746 61.633 62.300 0.132 0.000 0.893 508 V CB 1.773 33.669 31.823 0.121 0.000 0.999 508 V HN 0.287 nan 8.190 nan 0.000 0.426 509 I N 5.562 126.226 120.570 0.156 0.000 2.420 509 I HA 0.495 4.669 4.170 0.007 0.000 0.282 509 I C -0.298 175.879 176.117 0.100 0.000 1.019 509 I CA -0.331 61.051 61.300 0.137 0.000 1.130 509 I CB 1.724 39.785 38.000 0.101 0.000 1.262 509 I HN 0.551 nan 8.210 nan 0.000 0.454 510 M N 6.488 126.066 119.600 -0.036 0.000 2.205 510 M HA 0.464 4.948 4.480 0.007 0.000 0.344 510 M C -0.864 175.257 176.300 -0.298 0.000 1.085 510 M CA -0.705 54.295 55.300 -0.500 0.000 1.001 510 M CB 2.179 34.051 32.600 -1.213 0.000 1.626 510 M HN 0.192 nan 8.290 nan 0.000 0.442 511 V N 2.598 122.416 119.914 -0.159 0.000 2.326 511 V HA 0.703 4.827 4.120 0.007 0.000 0.281 511 V C 0.289 176.538 176.094 0.259 0.000 1.015 511 V CA -0.494 61.855 62.300 0.081 0.000 0.823 511 V CB 1.397 33.275 31.823 0.091 0.000 1.009 511 V HN 1.030 nan 8.190 nan 0.000 0.436 512 G N 6.339 115.331 108.800 0.321 0.000 3.703 512 G HA2 0.455 4.420 3.960 0.007 0.000 0.311 512 G HA3 0.455 4.420 3.960 0.007 0.000 0.311 512 G C -2.918 172.160 174.900 0.296 0.000 1.430 512 G CA -1.005 44.368 45.100 0.456 0.000 0.785 512 G HN 0.478 nan 8.290 nan 0.000 0.491 513 P HA 0.330 nan 4.420 nan 0.000 0.271 513 P C 1.206 178.538 177.300 0.053 0.000 1.218 513 P CA 1.322 64.427 63.100 0.008 0.000 0.780 513 P CB 1.581 33.248 31.700 -0.055 0.000 0.901 514 G N 2.624 111.443 108.800 0.031 0.000 2.583 514 G HA2 -0.359 3.605 3.960 0.007 0.000 0.292 514 G HA3 -0.359 3.605 3.960 0.007 0.000 0.292 514 G C 1.115 176.185 174.900 0.282 0.000 1.203 514 G CA 1.167 46.351 45.100 0.140 0.000 0.987 514 G HN 0.677 nan 8.290 nan 0.000 0.554 515 T N -0.891 113.806 114.554 0.238 0.000 3.007 515 T HA 0.219 4.573 4.350 0.007 0.000 0.270 515 T C 2.370 177.268 174.700 0.330 0.000 1.107 515 T CA 1.654 63.948 62.100 0.325 0.000 1.118 515 T CB -0.441 68.674 68.868 0.412 0.000 0.889 515 T HN 1.792 nan 8.240 nan 0.000 0.506 516 G N 0.611 109.489 108.800 0.129 0.000 2.708 516 G HA2 -0.003 3.961 3.960 0.007 0.000 0.210 516 G HA3 -0.003 3.961 3.960 0.007 0.000 0.210 516 G C 1.399 176.348 174.900 0.082 0.000 1.141 516 G CA 0.338 45.423 45.100 -0.026 0.000 0.788 516 G HN 0.457 nan 8.290 nan 0.000 0.531 517 V N 0.834 120.895 119.914 0.245 0.000 2.759 517 V HA -0.029 4.095 4.120 0.007 0.000 0.256 517 V C 3.030 179.158 176.094 0.056 0.000 1.080 517 V CA 1.854 64.320 62.300 0.276 0.000 1.101 517 V CB -0.502 31.459 31.823 0.230 0.000 0.698 517 V HN 0.472 nan 8.190 nan 0.000 0.477 518 A N 1.639 124.502 122.820 0.072 0.000 1.873 518 A HA -0.242 4.082 4.320 0.007 0.000 0.219 518 A C 0.653 178.145 177.584 -0.155 0.000 1.269 518 A CA 2.660 54.721 52.037 0.040 0.000 0.671 518 A CB -2.356 16.739 19.000 0.158 0.000 0.842 518 A HN 0.612 nan 8.150 nan 0.000 0.460 519 P HA -0.116 nan 4.420 nan 0.000 0.218 519 P C 1.032 177.978 177.300 -0.590 0.000 1.149 519 P CA 1.126 63.910 63.100 -0.527 0.000 0.817 519 P CB -0.292 30.937 31.700 -0.784 0.000 0.785 520 F N -0.317 119.427 119.950 -0.344 0.000 2.407 520 F HA -0.057 4.474 4.527 0.007 0.000 0.299 520 F C 2.445 178.154 175.800 -0.152 0.000 1.097 520 F CA 0.068 57.872 58.000 -0.326 0.000 1.422 520 F CB -1.422 37.466 39.000 -0.185 0.000 1.067 520 F HN -0.189 nan 8.300 nan 0.000 0.539 521 I N 0.455 121.008 120.570 -0.028 0.000 2.163 521 I HA -0.227 3.947 4.170 0.007 0.000 0.243 521 I C 2.720 178.827 176.117 -0.017 0.000 1.085 521 I CA 1.753 62.991 61.300 -0.102 0.000 1.347 521 I CB -1.925 35.870 38.000 -0.341 0.000 1.044 521 I HN 0.193 nan 8.210 nan 0.000 0.408 522 G N 0.133 108.954 108.800 0.035 0.000 2.402 522 G HA2 -0.230 3.734 3.960 0.007 0.000 0.216 522 G HA3 -0.230 3.734 3.960 0.007 0.000 0.216 522 G C 1.565 176.574 174.900 0.183 0.000 1.162 522 G CA 0.161 45.329 45.100 0.114 0.000 0.777 522 G HN 0.152 nan 8.290 nan 0.000 0.539 523 F N 1.150 121.069 119.950 -0.051 0.000 2.120 523 F HA -0.018 4.513 4.527 0.007 0.000 0.300 523 F C 2.644 178.346 175.800 -0.162 0.000 1.095 523 F CA 0.343 58.285 58.000 -0.097 0.000 1.249 523 F CB -0.662 38.308 39.000 -0.049 0.000 0.995 523 F HN 0.094 nan 8.300 nan 0.000 0.480 524 I N -0.680 119.883 120.570 -0.012 0.000 2.233 524 I HA -0.291 3.883 4.170 0.007 0.000 0.243 524 I C 2.371 178.137 176.117 -0.585 0.000 1.093 524 I CA 1.007 62.112 61.300 -0.325 0.000 1.380 524 I CB -0.645 37.093 38.000 -0.437 0.000 1.067 524 I HN 0.138 nan 8.210 nan 0.000 0.413 525 Q N 0.480 119.983 119.800 -0.494 0.000 2.096 525 Q HA -0.323 4.021 4.340 0.007 0.000 0.208 525 Q C 2.129 178.090 176.000 -0.065 0.000 0.993 525 Q CA 2.263 57.934 55.803 -0.220 0.000 0.862 525 Q CB -0.218 28.556 28.738 0.059 0.000 0.915 525 Q HN 0.489 nan 8.270 nan 0.000 0.416 526 E N 0.368 120.529 120.200 -0.063 0.000 2.072 526 E HA -0.156 4.198 4.350 0.007 0.000 0.191 526 E C 2.033 178.658 176.600 0.042 0.000 0.985 526 E CA 0.759 57.146 56.400 -0.023 0.000 0.801 526 E CB 0.187 29.822 29.700 -0.109 0.000 0.750 526 E HN 0.170 nan 8.360 nan 0.000 0.452 527 R N -0.000 120.466 120.500 -0.056 0.000 2.075 527 R HA -0.073 4.271 4.340 0.007 0.000 0.232 527 R C 2.410 178.703 176.300 -0.012 0.000 1.126 527 R CA 0.955 57.024 56.100 -0.051 0.000 0.963 527 R CB -0.421 29.823 30.300 -0.094 0.000 0.858 527 R HN 0.207 nan 8.270 nan 0.000 0.435 528 A N 0.747 123.546 122.820 -0.036 0.000 1.892 528 A HA -0.241 4.084 4.320 0.007 0.000 0.218 528 A C 1.934 179.578 177.584 0.100 0.000 1.188 528 A CA 1.549 53.610 52.037 0.040 0.000 0.631 528 A CB -1.046 18.006 19.000 0.086 0.000 0.822 528 A HN 0.598 nan 8.150 nan 0.000 0.447 529 W N 0.527 121.802 121.300 -0.042 0.000 2.338 529 W HA -0.192 4.472 4.660 0.007 0.000 0.304 529 W C 1.850 178.343 176.519 -0.044 0.000 1.212 529 W CA 2.087 59.410 57.345 -0.037 0.000 1.264 529 W CB -0.346 29.080 29.460 -0.056 0.000 1.142 529 W HN 0.288 nan 8.180 nan 0.000 0.512 530 L N 0.121 121.395 121.223 0.085 0.000 2.046 530 L HA -0.208 4.136 4.340 0.007 0.000 0.208 530 L C 2.668 179.437 176.870 -0.167 0.000 1.077 530 L CA 1.655 56.447 54.840 -0.081 0.000 0.747 530 L CB -0.864 41.208 42.059 0.021 0.000 0.896 530 L HN -0.078 nan 8.230 nan 0.000 0.432 531 R N -0.281 120.158 120.500 -0.100 0.000 2.081 531 R HA -0.176 4.168 4.340 0.007 0.000 0.235 531 R C 2.287 178.505 176.300 -0.136 0.000 1.131 531 R CA 1.312 57.356 56.100 -0.094 0.000 0.960 531 R CB -0.318 29.956 30.300 -0.045 0.000 0.856 531 R HN 0.456 nan 8.270 nan 0.000 0.436 532 Q N 0.155 119.854 119.800 -0.170 0.000 2.291 532 Q HA -0.128 4.216 4.340 0.007 0.000 0.206 532 Q C 1.518 177.337 176.000 -0.301 0.000 0.976 532 Q CA 0.921 56.603 55.803 -0.202 0.000 0.875 532 Q CB 0.195 28.820 28.738 -0.189 0.000 0.927 532 Q HN 0.296 nan 8.270 nan 0.000 0.450 533 Q N -1.169 118.372 119.800 -0.432 0.000 2.320 533 Q HA 0.096 4.440 4.340 0.007 0.000 0.201 533 Q C 0.879 176.725 176.000 -0.256 0.000 0.910 533 Q CA 0.736 56.273 55.803 -0.443 0.000 0.946 533 Q CB 1.281 29.586 28.738 -0.722 0.000 1.062 533 Q HN 0.547 nan 8.270 nan 0.000 0.503 534 G N 1.296 109.984 108.800 -0.188 0.000 2.175 534 G HA2 -0.262 3.702 3.960 0.007 0.000 0.244 534 G HA3 -0.262 3.702 3.960 0.007 0.000 0.244 534 G C 0.155 174.994 174.900 -0.102 0.000 0.982 534 G CA -0.102 44.924 45.100 -0.123 0.000 0.641 534 G HN 0.247 nan 8.290 nan 0.000 0.527 535 K N 0.776 121.106 120.400 -0.116 0.000 2.326 535 K HA 0.413 4.738 4.320 0.007 0.000 0.275 535 K C -0.029 176.532 176.600 -0.064 0.000 1.018 535 K CA -0.218 56.020 56.287 -0.082 0.000 0.962 535 K CB 0.508 32.961 32.500 -0.079 0.000 0.953 535 K HN 0.206 nan 8.250 nan 0.000 0.475 536 E N 1.418 121.590 120.200 -0.047 0.000 2.259 536 E HA 0.134 4.488 4.350 0.007 0.000 0.281 536 E C -0.951 175.628 176.600 -0.036 0.000 1.037 536 E CA -0.202 56.176 56.400 -0.037 0.000 0.854 536 E CB 1.067 30.750 29.700 -0.028 0.000 1.051 536 E HN 0.140 nan 8.360 nan 0.000 0.409 537 V N 2.794 122.688 119.914 -0.033 0.000 2.555 537 V HA 0.598 4.722 4.120 0.007 0.000 0.302 537 V C 0.886 176.966 176.094 -0.023 0.000 1.038 537 V CA -0.862 61.417 62.300 -0.035 0.000 0.887 537 V CB 1.910 33.709 31.823 -0.039 0.000 0.991 537 V HN 0.777 nan 8.190 nan 0.000 0.434 538 G N 2.360 111.145 108.800 -0.024 0.000 2.653 538 G HA2 0.275 4.239 3.960 0.007 0.000 0.265 538 G HA3 0.275 4.239 3.960 0.007 0.000 0.265 538 G C -0.073 174.831 174.900 0.007 0.000 1.237 538 G CA -0.456 44.639 45.100 -0.007 0.000 0.946 538 G HN 0.746 nan 8.290 nan 0.000 0.522 539 E N -0.687 119.532 120.200 0.032 0.000 2.481 539 E HA 0.129 4.483 4.350 0.007 0.000 0.263 539 E C -0.361 176.265 176.600 0.043 0.000 0.992 539 E CA 0.810 57.245 56.400 0.058 0.000 0.938 539 E CB 0.379 30.143 29.700 0.107 0.000 0.933 539 E HN 0.217 nan 8.360 nan 0.000 0.453 540 T N 3.888 118.471 114.554 0.048 0.000 3.009 540 T HA 0.307 4.661 4.350 0.007 0.000 0.346 540 T C -0.814 173.912 174.700 0.044 0.000 1.092 540 T CA -0.676 61.443 62.100 0.033 0.000 1.080 540 T CB 0.092 68.962 68.868 0.005 0.000 1.037 540 T HN 0.106 nan 8.240 nan 0.000 0.487 541 L N 3.647 124.904 121.223 0.055 0.000 2.272 541 L HA 0.590 4.934 4.340 0.007 0.000 0.289 541 L C -0.357 176.505 176.870 -0.014 0.000 1.032 541 L CA -0.718 54.140 54.840 0.030 0.000 0.810 541 L CB 1.123 43.266 42.059 0.140 0.000 1.205 541 L HN 0.436 nan 8.230 nan 0.000 0.422 542 L N 4.305 125.459 121.223 -0.116 0.000 2.282 542 L HA 0.451 4.795 4.340 0.007 0.000 0.288 542 L C -1.272 175.464 176.870 -0.224 0.000 1.033 542 L CA -0.031 54.741 54.840 -0.114 0.000 0.807 542 L CB 0.731 42.754 42.059 -0.061 0.000 1.209 542 L HN 0.385 nan 8.230 nan 0.000 0.423 543 Y N 5.837 126.116 120.300 -0.035 0.000 2.587 543 Y HA 0.338 4.892 4.550 0.007 0.000 0.328 543 Y C -0.612 175.312 175.900 0.039 0.000 0.980 543 Y CA -0.323 57.772 58.100 -0.009 0.000 1.272 543 Y CB 0.620 39.064 38.460 -0.028 0.000 1.094 543 Y HN 0.598 nan 8.280 nan 0.000 0.503 544 Y N 1.981 122.256 120.300 -0.042 0.000 2.488 544 Y HA 0.860 5.414 4.550 0.007 0.000 0.325 544 Y C -0.009 175.811 175.900 -0.133 0.000 1.204 544 Y CA -1.373 56.687 58.100 -0.067 0.000 1.229 544 Y CB 1.775 40.164 38.460 -0.119 0.000 1.274 544 Y HN 0.528 nan 8.280 nan 0.000 0.493 545 G N 0.955 109.160 108.800 -0.993 0.000 2.706 545 G HA2 0.602 4.566 3.960 0.007 0.000 0.297 545 G HA3 0.602 4.566 3.960 0.007 0.000 0.297 545 G C -1.635 172.668 174.900 -0.995 0.000 1.403 545 G CA -0.305 44.298 45.100 -0.827 0.000 0.954 545 G HN 1.284 nan 8.290 nan 0.000 0.500 546 C N -0.118 118.836 119.300 -0.577 0.000 3.272 546 C HA 0.668 5.132 4.460 0.007 0.000 0.363 546 C C 1.214 176.188 174.990 -0.027 0.000 1.514 546 C CA -0.862 58.009 59.018 -0.245 0.000 1.185 546 C CB 1.002 28.641 27.740 -0.168 0.000 1.716 546 C HN 0.869 nan 8.230 nan 0.000 0.440 547 R N 0.301 120.832 120.500 0.052 0.000 2.075 547 R HA 0.272 4.616 4.340 0.007 0.000 0.226 547 R C 0.927 177.301 176.300 0.123 0.000 1.114 547 R CA 0.925 57.071 56.100 0.076 0.000 0.972 547 R CB 0.080 30.418 30.300 0.062 0.000 0.869 547 R HN 0.696 nan 8.270 nan 0.000 0.437 548 R N -1.122 119.472 120.500 0.156 0.000 2.629 548 R HA 0.094 4.438 4.340 0.007 0.000 0.266 548 R C 0.019 176.396 176.300 0.128 0.000 1.051 548 R CA -0.164 55.985 56.100 0.082 0.000 0.895 548 R CB 1.589 31.906 30.300 0.029 0.000 1.246 548 R HN -0.103 nan 8.270 nan 0.000 0.459 549 S N 0.365 116.017 115.700 -0.079 0.000 2.406 549 S HA -0.101 4.374 4.470 0.007 0.000 0.228 549 S C 0.747 175.409 174.600 0.102 0.000 1.020 549 S CA 1.663 59.917 58.200 0.089 0.000 0.965 549 S CB 0.072 63.148 63.200 -0.207 0.000 0.798 549 S HN 0.677 nan 8.310 nan 0.000 0.488 550 D N -0.435 119.976 120.400 0.018 0.000 2.525 550 D HA 0.209 4.853 4.640 0.007 0.000 0.229 550 D C 0.822 177.142 176.300 0.033 0.000 1.202 550 D CA -0.023 53.986 54.000 0.015 0.000 0.828 550 D CB 0.495 41.283 40.800 -0.020 0.000 1.008 550 D HN 0.414 nan 8.370 nan 0.000 0.493 551 E N 0.646 120.888 120.200 0.069 0.000 3.203 551 E HA 0.037 4.391 4.350 0.007 0.000 0.200 551 E C -0.752 175.902 176.600 0.090 0.000 1.089 551 E CA 0.502 56.941 56.400 0.065 0.000 1.430 551 E CB 0.528 30.263 29.700 0.058 0.000 1.328 551 E HN 0.113 nan 8.360 nan 0.000 0.580 552 D N -0.332 120.153 120.400 0.142 0.000 3.100 552 D HA 0.071 4.715 4.640 0.007 0.000 0.350 552 D C -1.274 175.192 176.300 0.276 0.000 1.310 552 D CA -0.434 53.664 54.000 0.162 0.000 0.741 552 D CB -0.741 40.132 40.800 0.122 0.000 1.248 552 D HN 0.041 nan 8.370 nan 0.000 0.527 553 Y N 1.697 122.115 120.300 0.197 0.000 2.535 553 Y HA 0.371 4.925 4.550 0.007 0.000 0.349 553 Y C -0.284 175.718 175.900 0.170 0.000 0.992 553 Y CA -1.161 57.125 58.100 0.311 0.000 1.248 553 Y CB 0.393 39.024 38.460 0.285 0.000 1.124 553 Y HN 0.147 nan 8.280 nan 0.000 0.520 554 L N 6.907 128.365 121.223 0.392 0.000 2.410 554 L HA 0.054 4.398 4.340 0.007 0.000 0.273 554 L C -0.267 176.723 176.870 0.201 0.000 1.152 554 L CA -0.506 54.410 54.840 0.127 0.000 0.855 554 L CB -0.009 42.136 42.059 0.143 0.000 1.129 554 L HN 0.687 nan 8.230 nan 0.000 0.463 555 Y N 1.425 121.783 120.300 0.098 0.000 3.078 555 Y HA -0.256 4.298 4.550 0.007 0.000 0.202 555 Y C 1.626 177.574 175.900 0.080 0.000 1.322 555 Y CA 0.299 58.428 58.100 0.049 0.000 1.118 555 Y CB -1.425 37.056 38.460 0.034 0.000 1.343 555 Y HN 0.586 nan 8.280 nan 0.000 0.499 556 R N 0.377 120.929 120.500 0.086 0.000 2.092 556 R HA -0.163 4.181 4.340 0.007 0.000 0.231 556 R C 1.485 177.709 176.300 -0.128 0.000 1.119 556 R CA 1.899 57.859 56.100 -0.234 0.000 0.970 556 R CB 0.217 30.227 30.300 -0.483 0.000 0.864 556 R HN 0.508 nan 8.270 nan 0.000 0.440 557 E N 0.429 120.590 120.200 -0.066 0.000 2.028 557 E HA -0.152 4.203 4.350 0.007 0.000 0.191 557 E C 1.886 178.454 176.600 -0.053 0.000 0.988 557 E CA 1.380 57.742 56.400 -0.064 0.000 0.799 557 E CB -0.120 29.541 29.700 -0.064 0.000 0.755 557 E HN 0.265 nan 8.360 nan 0.000 0.447 558 E N 0.335 120.523 120.200 -0.020 0.000 2.077 558 E HA -0.128 4.226 4.350 0.007 0.000 0.193 558 E C 2.074 178.651 176.600 -0.039 0.000 0.989 558 E CA 0.813 57.144 56.400 -0.115 0.000 0.800 558 E CB -0.197 29.515 29.700 0.021 0.000 0.746 558 E HN 0.180 nan 8.360 nan 0.000 0.452 559 L N 0.019 121.335 121.223 0.156 0.000 2.072 559 L HA -0.087 4.257 4.340 0.007 0.000 0.205 559 L C 2.407 179.398 176.870 0.202 0.000 1.079 559 L CA 0.931 55.922 54.840 0.252 0.000 0.752 559 L CB -0.510 41.692 42.059 0.239 0.000 0.906 559 L HN 0.162 nan 8.230 nan 0.000 0.436 560 A N -0.237 122.648 122.820 0.108 0.000 1.883 560 A HA -0.301 4.023 4.320 0.007 0.000 0.217 560 A C 2.214 179.864 177.584 0.109 0.000 1.186 560 A CA 2.069 54.167 52.037 0.101 0.000 0.624 560 A CB -0.539 18.472 19.000 0.019 0.000 0.822 560 A HN 0.391 nan 8.150 nan 0.000 0.444 561 Q N -1.232 118.572 119.800 0.006 0.000 2.079 561 Q HA -0.081 4.263 4.340 0.007 0.000 0.200 561 Q C 1.578 177.576 176.000 -0.004 0.000 0.974 561 Q CA 1.672 57.440 55.803 -0.058 0.000 0.840 561 Q CB -0.507 28.117 28.738 -0.190 0.000 0.898 561 Q HN 0.556 nan 8.270 nan 0.000 0.430 562 F N -0.634 119.365 119.950 0.081 0.000 2.216 562 F HA -0.102 4.429 4.527 0.007 0.000 0.300 562 F C 2.266 178.123 175.800 0.094 0.000 1.085 562 F CA 1.513 59.560 58.000 0.078 0.000 1.326 562 F CB -0.852 38.197 39.000 0.081 0.000 1.027 562 F HN 0.350 nan 8.300 nan 0.000 0.497 563 H N 0.053 119.246 119.070 0.205 0.000 2.326 563 H HA -0.018 4.542 4.556 0.007 0.000 0.301 563 H C 2.419 177.798 175.328 0.085 0.000 1.081 563 H CA 1.757 57.878 56.048 0.123 0.000 1.334 563 H CB -0.031 29.791 29.762 0.099 0.000 1.385 563 H HN 0.020 nan 8.280 nan 0.000 0.504 564 R N -0.064 120.454 120.500 0.030 0.000 2.096 564 R HA -0.125 4.219 4.340 0.007 0.000 0.240 564 R C 1.174 177.446 176.300 -0.045 0.000 1.139 564 R CA 1.768 57.845 56.100 -0.039 0.000 0.952 564 R CB -0.111 30.194 30.300 0.008 0.000 0.854 564 R HN 0.441 nan 8.270 nan 0.000 0.436 565 D N -1.340 119.069 120.400 0.015 0.000 2.363 565 D HA 0.065 4.709 4.640 0.007 0.000 0.226 565 D C 1.016 177.327 176.300 0.019 0.000 1.020 565 D CA 0.990 55.008 54.000 0.030 0.000 0.892 565 D CB 0.335 41.185 40.800 0.084 0.000 0.900 565 D HN 0.479 nan 8.370 nan 0.000 0.531 566 G N 0.132 108.922 108.800 -0.017 0.000 2.159 566 G HA2 -0.343 3.621 3.960 0.007 0.000 0.256 566 G HA3 -0.343 3.621 3.960 0.007 0.000 0.256 566 G C 1.287 176.202 174.900 0.024 0.000 0.977 566 G CA 0.616 45.696 45.100 -0.033 0.000 0.652 566 G HN 0.499 nan 8.290 nan 0.000 0.531 567 A N -0.923 121.947 122.820 0.083 0.000 1.898 567 A HA 0.472 4.796 4.320 0.007 0.000 0.216 567 A C 1.324 178.934 177.584 0.044 0.000 1.181 567 A CA 1.722 53.800 52.037 0.067 0.000 0.620 567 A CB 0.001 19.077 19.000 0.126 0.000 0.819 567 A HN 1.312 nan 8.150 nan 0.000 0.442 568 L N 0.787 122.081 121.223 0.119 0.000 2.255 568 L HA 0.381 4.726 4.340 0.007 0.000 0.289 568 L C 0.986 177.976 176.870 0.199 0.000 1.046 568 L CA 0.368 55.293 54.840 0.141 0.000 0.816 568 L CB 0.843 43.025 42.059 0.204 0.000 1.197 568 L HN 0.242 nan 8.230 nan 0.000 0.427 569 T N 3.084 117.719 114.554 0.135 0.000 2.867 569 T HA 0.002 4.356 4.350 0.007 0.000 0.268 569 T C 0.349 175.182 174.700 0.222 0.000 1.057 569 T CA 1.189 63.371 62.100 0.137 0.000 1.136 569 T CB -0.147 68.783 68.868 0.102 0.000 0.874 569 T HN 0.617 nan 8.240 nan 0.000 0.466 570 Q N -0.006 119.893 119.800 0.165 0.000 2.281 570 Q HA 0.492 4.836 4.340 0.007 0.000 0.263 570 Q C -1.841 174.107 176.000 -0.087 0.000 0.989 570 Q CA -0.427 55.406 55.803 0.051 0.000 0.852 570 Q CB 2.705 31.441 28.738 -0.004 0.000 1.337 570 Q HN 0.220 nan 8.270 nan 0.000 0.418 571 L N 3.571 124.661 121.223 -0.222 0.000 2.283 571 L HA 0.447 4.792 4.340 0.007 0.000 0.281 571 L C -1.147 175.610 176.870 -0.189 0.000 1.033 571 L CA -0.289 54.443 54.840 -0.180 0.000 0.848 571 L CB 0.437 42.409 42.059 -0.144 0.000 1.226 571 L HN 0.484 nan 8.230 nan 0.000 0.429 572 N N 5.094 123.635 118.700 -0.265 0.000 2.527 572 N HA 0.265 5.009 4.740 0.007 0.000 0.236 572 N C -0.975 174.422 175.510 -0.188 0.000 0.999 572 N CA -0.245 52.643 53.050 -0.270 0.000 0.935 572 N CB 1.950 40.116 38.487 -0.535 0.000 1.132 572 N HN 0.297 nan 8.380 nan 0.000 0.511 573 V N 1.128 120.914 119.914 -0.213 0.000 2.427 573 V HA 0.568 4.692 4.120 0.007 0.000 0.286 573 V C 0.322 176.038 176.094 -0.630 0.000 1.034 573 V CA -0.975 61.057 62.300 -0.448 0.000 0.893 573 V CB 1.387 32.829 31.823 -0.635 0.000 0.982 573 V HN 0.641 nan 8.190 nan 0.000 0.452 574 A N 5.407 127.888 122.820 -0.566 0.000 2.511 574 A HA 0.748 5.072 4.320 0.007 0.000 0.340 574 A C -0.608 176.711 177.584 -0.440 0.000 1.396 574 A CA -0.408 51.394 52.037 -0.392 0.000 0.887 574 A CB -0.254 18.657 19.000 -0.148 0.000 1.145 574 A HN 0.623 nan 8.150 nan 0.000 0.497 575 F N 1.970 121.864 119.950 -0.095 0.000 2.472 575 F HA 0.223 4.754 4.527 0.007 0.000 0.364 575 F C 1.758 177.484 175.800 -0.124 0.000 1.090 575 F CA 0.241 58.179 58.000 -0.102 0.000 1.188 575 F CB 0.773 39.748 39.000 -0.042 0.000 1.105 575 F HN 0.624 nan 8.300 nan 0.000 0.536 576 S N 3.508 119.201 115.700 -0.011 0.000 2.345 576 S HA 0.007 4.481 4.470 0.007 0.000 0.219 576 S C 1.061 175.602 174.600 -0.098 0.000 1.031 576 S CA 0.294 58.390 58.200 -0.174 0.000 0.984 576 S CB -0.173 62.901 63.200 -0.210 0.000 0.874 576 S HN 0.569 nan 8.310 nan 0.000 0.451 582 K N 2.997 123.059 120.400 -0.563 0.000 3.177 582 K HA -0.109 4.216 4.320 0.007 0.000 0.266 582 K C -0.586 175.577 176.600 -0.729 0.000 0.937 582 K CA 0.874 56.701 56.287 -0.767 0.000 0.702 582 K CB -1.902 30.161 32.500 -0.729 0.000 1.365 582 K HN 0.280 nan 8.250 nan 0.000 0.466 583 V N 2.648 122.275 119.914 -0.479 0.000 2.313 583 V HA 0.101 4.226 4.120 0.007 0.000 0.252 583 V C 0.480 176.458 176.094 -0.195 0.000 1.112 583 V CA -0.271 61.897 62.300 -0.220 0.000 0.984 583 V CB -0.649 31.119 31.823 -0.092 0.000 1.157 583 V HN 0.110 nan 8.190 nan 0.000 0.493 584 Y N 2.601 123.022 120.300 0.202 0.000 2.334 584 Y HA 0.274 4.828 4.550 0.007 0.000 0.325 584 Y C 1.540 177.391 175.900 -0.081 0.000 1.308 584 Y CA -0.437 57.657 58.100 -0.011 0.000 1.389 584 Y CB 0.697 39.097 38.460 -0.101 0.000 1.328 584 Y HN 0.347 nan 8.280 nan 0.000 0.532 585 V N -1.501 118.443 119.914 0.051 0.000 2.594 585 V HA -0.262 3.862 4.120 0.007 0.000 0.253 585 V C 1.475 177.489 176.094 -0.133 0.000 1.069 585 V CA 1.699 63.987 62.300 -0.020 0.000 1.082 585 V CB -0.836 30.980 31.823 -0.013 0.000 0.680 585 V HN 0.821 nan 8.190 nan 0.000 0.469 586 Q N 0.462 120.103 119.800 -0.265 0.000 2.112 586 Q HA -0.189 4.155 4.340 0.007 0.000 0.206 586 Q C 2.267 178.065 176.000 -0.337 0.000 0.987 586 Q CA 2.425 58.001 55.803 -0.379 0.000 0.858 586 Q CB -0.623 27.834 28.738 -0.468 0.000 0.905 586 Q HN 0.848 nan 8.270 nan 0.000 0.420 587 H N -0.416 118.639 119.070 -0.024 0.000 2.428 587 H HA 0.021 4.581 4.556 0.007 0.000 0.296 587 H C 2.032 177.354 175.328 -0.010 0.000 1.062 587 H CA 0.981 57.019 56.048 -0.018 0.000 1.350 587 H CB -0.128 29.633 29.762 -0.002 0.000 1.403 587 H HN 0.248 nan 8.280 nan 0.000 0.533 588 L N 0.433 121.715 121.223 0.098 0.000 2.093 588 L HA -0.120 4.224 4.340 0.007 0.000 0.208 588 L C 2.578 179.507 176.870 0.098 0.000 1.085 588 L CA 0.687 55.615 54.840 0.147 0.000 0.755 588 L CB -0.443 41.757 42.059 0.235 0.000 0.904 588 L HN 0.154 nan 8.230 nan 0.000 0.435 589 L N -0.486 120.646 121.223 -0.153 0.000 2.027 589 L HA -0.172 4.172 4.340 0.007 0.000 0.206 589 L C 2.815 179.553 176.870 -0.220 0.000 1.074 589 L CA 1.119 55.721 54.840 -0.396 0.000 0.745 589 L CB -0.514 41.137 42.059 -0.681 0.000 0.898 589 L HN 0.193 nan 8.230 nan 0.000 0.433 590 K N 0.098 120.407 120.400 -0.151 0.000 2.057 590 K HA -0.237 4.087 4.320 0.007 0.000 0.207 590 K C 2.033 178.634 176.600 0.001 0.000 1.049 590 K CA 1.471 57.716 56.287 -0.070 0.000 0.931 590 K CB -0.229 32.252 32.500 -0.031 0.000 0.714 590 K HN 0.348 nan 8.250 nan 0.000 0.440 591 Q N 1.104 120.927 119.800 0.039 0.000 2.045 591 Q HA -0.177 4.167 4.340 0.007 0.000 0.206 591 Q C 0.527 176.580 176.000 0.088 0.000 0.991 591 Q CA 2.007 57.852 55.803 0.070 0.000 0.851 591 Q CB 0.039 28.831 28.738 0.091 0.000 0.911 591 Q HN 0.166 nan 8.270 nan 0.000 0.418 592 D N -0.187 120.286 120.400 0.121 0.000 2.344 592 D HA -0.036 4.608 4.640 0.007 0.000 0.242 592 D C 1.405 177.798 176.300 0.156 0.000 1.159 592 D CA 0.244 54.351 54.000 0.179 0.000 0.859 592 D CB -0.100 40.880 40.800 0.300 0.000 0.925 592 D HN 0.471 nan 8.370 nan 0.000 0.510 593 R N 0.897 121.451 120.500 0.089 0.000 2.091 593 R HA -0.168 4.177 4.340 0.007 0.000 0.238 593 R C 1.772 178.164 176.300 0.153 0.000 1.136 593 R CA 1.090 57.236 56.100 0.077 0.000 0.959 593 R CB -0.465 29.845 30.300 0.016 0.000 0.856 593 R HN 0.133 nan 8.270 nan 0.000 0.437 594 E N 0.206 120.501 120.200 0.157 0.000 2.058 594 E HA -0.287 4.068 4.350 0.007 0.000 0.194 594 E C 2.041 178.808 176.600 0.279 0.000 0.997 594 E CA 1.683 58.203 56.400 0.200 0.000 0.801 594 E CB -0.133 29.660 29.700 0.154 0.000 0.746 594 E HN 0.520 nan 8.360 nan 0.000 0.450 595 H N -0.250 118.910 119.070 0.150 0.000 2.357 595 H HA -0.080 4.481 4.556 0.007 0.000 0.301 595 H C 1.789 177.217 175.328 0.167 0.000 1.082 595 H CA 1.353 57.486 56.048 0.142 0.000 1.342 595 H CB -0.171 29.668 29.762 0.128 0.000 1.389 595 H HN 0.132 nan 8.280 nan 0.000 0.511 596 L N -0.141 121.134 121.223 0.087 0.000 2.083 596 L HA -0.171 4.173 4.340 0.007 0.000 0.209 596 L C 2.524 179.493 176.870 0.165 0.000 1.083 596 L CA 1.563 56.442 54.840 0.064 0.000 0.752 596 L CB -1.347 40.812 42.059 0.165 0.000 0.899 596 L HN 0.543 nan 8.230 nan 0.000 0.433 597 W N 0.776 122.094 121.300 0.029 0.000 2.388 597 W HA -0.207 4.457 4.660 0.007 0.000 0.294 597 W C 2.181 178.716 176.519 0.026 0.000 1.212 597 W CA 1.115 58.476 57.345 0.026 0.000 1.271 597 W CB 0.112 29.582 29.460 0.017 0.000 1.126 597 W HN 0.165 nan 8.180 nan 0.000 0.535 598 K N 0.152 120.521 120.400 -0.051 0.000 2.009 598 K HA -0.245 4.080 4.320 0.007 0.000 0.210 598 K C 1.918 178.415 176.600 -0.172 0.000 1.049 598 K CA 1.632 57.829 56.287 -0.149 0.000 0.929 598 K CB -0.714 31.808 32.500 0.037 0.000 0.714 598 K HN 0.054 nan 8.250 nan 0.000 0.440 599 L N 1.434 122.578 121.223 -0.131 0.000 1.990 599 L HA -0.213 4.131 4.340 0.007 0.000 0.213 599 L C 2.270 179.076 176.870 -0.106 0.000 1.072 599 L CA 1.582 56.351 54.840 -0.117 0.000 0.755 599 L CB -0.719 41.246 42.059 -0.157 0.000 0.889 599 L HN 0.207 nan 8.230 nan 0.000 0.432 600 I N -0.854 119.659 120.570 -0.096 0.000 2.118 600 I HA -0.338 3.836 4.170 0.007 0.000 0.241 600 I C 2.503 178.522 176.117 -0.163 0.000 1.070 600 I CA 1.487 62.744 61.300 -0.071 0.000 1.327 600 I CB -0.212 37.823 38.000 0.058 0.000 1.034 600 I HN 0.284 nan 8.210 nan 0.000 0.405 601 E N 0.927 120.881 120.200 -0.411 0.000 2.209 601 E HA -0.173 4.181 4.350 0.007 0.000 0.196 601 E C 1.855 178.320 176.600 -0.225 0.000 0.993 601 E CA 1.311 57.443 56.400 -0.447 0.000 0.819 601 E CB -0.297 28.937 29.700 -0.777 0.000 0.745 601 E HN 0.461 nan 8.360 nan 0.000 0.477 602 G N -1.383 107.314 108.800 -0.172 0.000 3.181 602 G HA2 0.248 4.212 3.960 0.007 0.000 0.219 602 G HA3 0.248 4.212 3.960 0.007 0.000 0.219 602 G C 0.850 175.717 174.900 -0.056 0.000 1.182 602 G CA 0.130 45.173 45.100 -0.095 0.000 0.791 602 G HN 0.499 nan 8.290 nan 0.000 0.537 603 G N -1.227 107.538 108.800 -0.059 0.000 2.132 603 G HA2 0.134 4.099 3.960 0.007 0.000 0.228 603 G HA3 0.134 4.099 3.960 0.007 0.000 0.228 603 G C 0.545 175.468 174.900 0.040 0.000 1.000 603 G CA 0.115 45.203 45.100 -0.021 0.000 0.693 603 G HN 1.280 nan 8.290 nan 0.000 0.515 604 A N 0.076 122.903 122.820 0.013 0.000 2.406 604 A HA 0.601 4.926 4.320 0.007 0.000 0.243 604 A C 0.359 177.985 177.584 0.069 0.000 1.082 604 A CA 0.080 52.151 52.037 0.056 0.000 0.786 604 A CB 0.266 19.267 19.000 0.000 0.000 1.029 604 A HN 0.566 nan 8.150 nan 0.000 0.495 605 H N 0.181 119.182 119.070 -0.116 0.000 2.457 605 H HA 0.470 5.030 4.556 0.007 0.000 0.335 605 H C -0.793 174.301 175.328 -0.390 0.000 1.115 605 H CA -0.310 55.579 56.048 -0.266 0.000 1.219 605 H CB 1.348 30.987 29.762 -0.206 0.000 1.471 605 H HN 0.491 nan 8.280 nan 0.000 0.491 606 I N 3.444 123.665 120.570 -0.581 0.000 2.460 606 I HA 0.220 4.394 4.170 0.007 0.000 0.298 606 I C -1.021 174.531 176.117 -0.942 0.000 0.989 606 I CA -0.640 60.269 61.300 -0.652 0.000 1.173 606 I CB 1.174 38.658 38.000 -0.859 0.000 1.338 606 I HN 0.449 nan 8.210 nan 0.000 0.456 607 Y N 4.138 124.275 120.300 -0.271 0.000 2.421 607 Y HA 0.571 5.125 4.550 0.007 0.000 0.339 607 Y C -0.548 175.418 175.900 0.110 0.000 0.996 607 Y CA -0.949 57.115 58.100 -0.061 0.000 1.046 607 Y CB 2.039 40.590 38.460 0.152 0.000 1.226 607 Y HN 0.090 nan 8.280 nan 0.000 0.445 608 V N 2.995 123.123 119.914 0.357 0.000 2.483 608 V HA 0.546 4.670 4.120 0.007 0.000 0.297 608 V C -0.760 175.538 176.094 0.340 0.000 1.027 608 V CA -0.777 61.703 62.300 0.300 0.000 0.855 608 V CB 1.651 33.548 31.823 0.124 0.000 0.995 608 V HN 0.958 nan 8.190 nan 0.000 0.424 609 C N 3.929 123.387 119.300 0.264 0.000 2.712 609 C HA 1.043 5.507 4.460 0.007 0.000 0.308 609 C C 0.231 175.053 174.990 -0.280 0.000 1.201 609 C CA 0.583 59.552 59.018 -0.082 0.000 1.554 609 C CB 0.835 28.408 27.740 -0.278 0.000 2.117 609 C HN 1.463 nan 8.230 nan 0.000 0.480 610 G N 4.384 112.737 108.800 -0.745 0.000 2.336 610 G HA2 0.270 4.234 3.960 0.007 0.000 0.300 610 G HA3 0.270 4.234 3.960 0.007 0.000 0.300 610 G C -0.334 173.827 174.900 -1.232 0.000 1.375 610 G CA 0.382 44.918 45.100 -0.939 0.000 0.885 610 G HN 0.795 nan 8.290 nan 0.000 0.599 611 D N -0.389 119.534 120.400 -0.795 0.000 2.183 611 D HA 0.334 4.978 4.640 0.007 0.000 0.203 611 D C 1.340 177.536 176.300 -0.174 0.000 0.969 611 D CA 1.348 55.164 54.000 -0.307 0.000 0.842 611 D CB -0.027 40.793 40.800 0.033 0.000 0.957 611 D HN 1.002 nan 8.370 nan 0.000 0.484 612 A N 0.093 122.800 122.820 -0.189 0.000 2.260 612 A HA 0.516 4.840 4.320 0.007 0.000 0.308 612 A C 1.105 178.621 177.584 -0.114 0.000 1.254 612 A CA -0.604 51.362 52.037 -0.118 0.000 0.874 612 A CB 1.051 19.985 19.000 -0.111 0.000 1.153 612 A HN 0.021 nan 8.150 nan 0.000 0.527 613 R N 2.686 123.141 120.500 -0.074 0.000 2.105 613 R HA -0.177 4.168 4.340 0.007 0.000 0.239 613 R C 1.407 177.675 176.300 -0.053 0.000 1.135 613 R CA 2.624 58.693 56.100 -0.051 0.000 0.967 613 R CB -0.433 29.852 30.300 -0.026 0.000 0.861 613 R HN 0.928 nan 8.270 nan 0.000 0.442 614 N N -0.606 118.053 118.700 -0.067 0.000 2.188 614 N HA -0.168 4.576 4.740 0.007 0.000 0.184 614 N C 1.677 177.126 175.510 -0.101 0.000 1.018 614 N CA 1.216 54.220 53.050 -0.077 0.000 0.858 614 N CB -0.181 38.252 38.487 -0.091 0.000 0.989 614 N HN 0.205 nan 8.380 nan 0.000 0.426 615 M N 1.834 121.360 119.600 -0.123 0.000 2.086 615 M HA -0.081 4.403 4.480 0.007 0.000 0.261 615 M C 2.109 178.357 176.300 -0.087 0.000 1.067 615 M CA 1.550 56.767 55.300 -0.138 0.000 1.116 615 M CB -0.688 31.823 32.600 -0.147 0.000 1.348 615 M HN 0.145 nan 8.290 nan 0.000 0.407 616 A N 0.571 123.354 122.820 -0.061 0.000 1.917 616 A HA -0.257 4.067 4.320 0.007 0.000 0.219 616 A C 2.343 179.929 177.584 0.004 0.000 1.182 616 A CA 2.225 54.258 52.037 -0.006 0.000 0.633 616 A CB -0.882 18.118 19.000 0.001 0.000 0.819 616 A HN 0.675 nan 8.150 nan 0.000 0.448 617 R N -0.780 119.706 120.500 -0.024 0.000 2.073 617 R HA -0.118 4.226 4.340 0.007 0.000 0.229 617 R C 1.405 177.679 176.300 -0.042 0.000 1.120 617 R CA 1.518 57.605 56.100 -0.021 0.000 0.967 617 R CB -0.240 30.052 30.300 -0.014 0.000 0.862 617 R HN 0.447 nan 8.270 nan 0.000 0.436 618 D N -0.156 120.204 120.400 -0.067 0.000 2.117 618 D HA -0.124 4.520 4.640 0.007 0.000 0.198 618 D C 1.893 178.128 176.300 -0.108 0.000 0.982 618 D CA 1.009 54.954 54.000 -0.092 0.000 0.828 618 D CB -0.115 40.601 40.800 -0.139 0.000 0.967 618 D HN 0.055 nan 8.370 nan 0.000 0.464 619 V N 0.666 120.528 119.914 -0.087 0.000 2.295 619 V HA -0.248 3.876 4.120 0.007 0.000 0.246 619 V C 2.563 178.671 176.094 0.023 0.000 1.049 619 V CA 1.695 63.953 62.300 -0.069 0.000 1.024 619 V CB -0.520 31.314 31.823 0.019 0.000 0.648 619 V HN 0.214 nan 8.190 nan 0.000 0.447 620 Q N 0.078 119.892 119.800 0.023 0.000 2.050 620 Q HA -0.247 4.097 4.340 0.007 0.000 0.202 620 Q C 2.183 177.890 176.000 -0.488 0.000 0.980 620 Q CA 1.990 57.685 55.803 -0.180 0.000 0.840 620 Q CB -0.112 28.440 28.738 -0.311 0.000 0.898 620 Q HN 0.639 nan 8.270 nan 0.000 0.424 621 N N -0.268 118.287 118.700 -0.241 0.000 2.104 621 N HA -0.131 4.614 4.740 0.007 0.000 0.190 621 N C 1.730 177.240 175.510 -0.000 0.000 1.024 621 N CA 1.894 54.933 53.050 -0.019 0.000 0.853 621 N CB -0.686 37.844 38.487 0.071 0.000 1.008 621 N HN 0.251 nan 8.380 nan 0.000 0.424 622 T N 0.774 115.265 114.554 -0.106 0.000 2.708 622 T HA -0.064 4.290 4.350 0.007 0.000 0.266 622 T C 1.629 176.220 174.700 -0.182 0.000 1.037 622 T CA 0.869 62.863 62.100 -0.176 0.000 1.146 622 T CB -0.350 68.321 68.868 -0.327 0.000 0.865 622 T HN 0.112 nan 8.240 nan 0.000 0.435 623 F N 0.259 120.148 119.950 -0.102 0.000 2.216 623 F HA -0.016 4.515 4.527 0.007 0.000 0.300 623 F C 2.094 177.878 175.800 -0.027 0.000 1.085 623 F CA 0.449 58.410 58.000 -0.065 0.000 1.326 623 F CB -0.756 38.230 39.000 -0.025 0.000 1.027 623 F HN 0.171 nan 8.300 nan 0.000 0.497 624 Y N 0.551 120.898 120.300 0.079 0.000 2.128 624 Y HA -0.237 4.317 4.550 0.007 0.000 0.284 624 Y C 2.342 178.158 175.900 -0.140 0.000 1.154 624 Y CA 1.086 59.122 58.100 -0.107 0.000 1.149 624 Y CB -1.238 37.114 38.460 -0.181 0.000 0.976 624 Y HN 0.057 nan 8.280 nan 0.000 0.505 625 D N -0.256 120.223 120.400 0.131 0.000 2.144 625 D HA -0.140 4.504 4.640 0.007 0.000 0.200 625 D C 2.392 178.666 176.300 -0.043 0.000 0.978 625 D CA 1.086 55.124 54.000 0.064 0.000 0.833 625 D CB -0.392 40.446 40.800 0.064 0.000 0.961 625 D HN 0.310 nan 8.370 nan 0.000 0.470 626 I N 0.543 121.084 120.570 -0.049 0.000 2.179 626 I HA -0.224 3.950 4.170 0.007 0.000 0.242 626 I C 2.355 178.309 176.117 -0.272 0.000 1.088 626 I CA 0.695 61.934 61.300 -0.102 0.000 1.357 626 I CB -0.140 37.860 38.000 -0.000 0.000 1.051 626 I HN -0.104 nan 8.210 nan 0.000 0.409 627 V N 1.032 120.801 119.914 -0.242 0.000 2.427 627 V HA -0.265 3.859 4.120 0.007 0.000 0.248 627 V C 2.687 178.465 176.094 -0.526 0.000 1.051 627 V CA 1.804 63.787 62.300 -0.530 0.000 1.048 627 V CB -1.024 30.586 31.823 -0.355 0.000 0.666 627 V HN 0.474 nan 8.190 nan 0.000 0.456 628 A N -0.183 122.459 122.820 -0.297 0.000 1.845 628 A HA -0.284 4.040 4.320 0.007 0.000 0.215 628 A C 2.299 179.741 177.584 -0.236 0.000 1.195 628 A CA 2.175 54.084 52.037 -0.215 0.000 0.616 628 A CB -0.525 18.427 19.000 -0.081 0.000 0.832 628 A HN 0.607 nan 8.150 nan 0.000 0.443 629 E N -0.713 119.350 120.200 -0.228 0.000 2.001 629 E HA -0.163 4.191 4.350 0.007 0.000 0.193 629 E C 1.832 178.241 176.600 -0.318 0.000 0.994 629 E CA 1.342 57.617 56.400 -0.208 0.000 0.815 629 E CB -0.198 29.414 29.700 -0.148 0.000 0.770 629 E HN 0.366 nan 8.360 nan 0.000 0.453 630 L N 0.228 121.146 121.223 -0.507 0.000 2.217 630 L HA 0.014 4.358 4.340 0.007 0.000 0.211 630 L C 2.346 178.663 176.870 -0.921 0.000 1.107 630 L CA 1.684 56.109 54.840 -0.691 0.000 0.783 630 L CB -0.624 40.909 42.059 -0.876 0.000 0.919 630 L HN 0.274 nan 8.230 nan 0.000 0.442 631 G N -1.574 106.533 108.800 -1.154 0.000 2.623 631 G HA2 0.220 4.185 3.960 0.007 0.000 0.214 631 G HA3 0.220 4.185 3.960 0.007 0.000 0.214 631 G C 0.892 175.646 174.900 -0.243 0.000 1.138 631 G CA 0.376 45.064 45.100 -0.687 0.000 0.794 631 G HN 0.467 nan 8.290 nan 0.000 0.535 632 A N -0.684 121.985 122.820 -0.251 0.000 2.734 632 A HA -0.050 4.274 4.320 0.007 0.000 0.296 632 A C 0.442 177.974 177.584 -0.087 0.000 1.474 632 A CA 1.346 53.308 52.037 -0.125 0.000 0.735 632 A CB -2.461 16.503 19.000 -0.061 0.000 1.062 632 A HN 1.186 nan 8.150 nan 0.000 0.463 633 M N -1.755 117.778 119.600 -0.113 0.000 2.667 633 M HA 0.844 5.329 4.480 0.007 0.000 0.286 633 M C -0.264 175.998 176.300 -0.063 0.000 1.270 633 M CA -0.984 54.273 55.300 -0.071 0.000 0.826 633 M CB 1.046 33.606 32.600 -0.067 0.000 1.743 633 M HN 0.158 nan 8.290 nan 0.000 0.460 634 E N 1.170 121.348 120.200 -0.036 0.000 2.390 634 E HA 0.022 4.376 4.350 0.007 0.000 0.261 634 E C 0.579 177.167 176.600 -0.021 0.000 1.076 634 E CA 0.052 56.443 56.400 -0.015 0.000 0.905 634 E CB 0.627 30.323 29.700 -0.006 0.000 0.984 634 E HN 0.764 nan 8.360 nan 0.000 0.427 635 H N 2.258 121.279 119.070 -0.083 0.000 2.353 635 H HA -0.196 4.364 4.556 0.007 0.000 0.298 635 H C 1.609 176.846 175.328 -0.151 0.000 1.103 635 H CA 2.019 58.001 56.048 -0.110 0.000 1.293 635 H CB 0.374 30.077 29.762 -0.098 0.000 1.372 635 H HN 0.577 nan 8.280 nan 0.000 0.501 636 A N 0.723 123.529 122.820 -0.024 0.000 1.933 636 A HA -0.208 4.116 4.320 0.007 0.000 0.218 636 A C 2.425 179.944 177.584 -0.109 0.000 1.175 636 A CA 1.704 53.695 52.037 -0.077 0.000 0.628 636 A CB -0.501 18.481 19.000 -0.030 0.000 0.814 636 A HN 0.567 nan 8.150 nan 0.000 0.444 637 Q N -0.626 119.129 119.800 -0.075 0.000 2.119 637 Q HA 0.001 4.345 4.340 0.007 0.000 0.201 637 Q C 2.410 178.382 176.000 -0.047 0.000 0.972 637 Q CA 1.166 56.945 55.803 -0.039 0.000 0.847 637 Q CB -0.399 28.333 28.738 -0.010 0.000 0.903 637 Q HN 0.680 nan 8.270 nan 0.000 0.433 638 A N 0.908 123.639 122.820 -0.148 0.000 1.865 638 A HA -0.203 4.121 4.320 0.007 0.000 0.217 638 A C 2.400 179.895 177.584 -0.150 0.000 1.191 638 A CA 1.989 53.919 52.037 -0.179 0.000 0.623 638 A CB -1.231 17.576 19.000 -0.321 0.000 0.826 638 A HN 0.334 nan 8.150 nan 0.000 0.444 639 V N -1.193 118.444 119.914 -0.461 0.000 2.392 639 V HA -0.264 3.860 4.120 0.007 0.000 0.249 639 V C 2.011 178.027 176.094 -0.130 0.000 1.059 639 V CA 2.857 64.804 62.300 -0.589 0.000 1.051 639 V CB -1.130 30.167 31.823 -0.877 0.000 0.658 639 V HN 0.539 nan 8.190 nan 0.000 0.455 640 D N -1.062 119.287 120.400 -0.084 0.000 2.224 640 D HA -0.175 4.469 4.640 0.007 0.000 0.205 640 D C 1.857 178.189 176.300 0.054 0.000 0.965 640 D CA 1.190 55.182 54.000 -0.014 0.000 0.852 640 D CB -0.300 40.490 40.800 -0.016 0.000 0.947 640 D HN 0.669 nan 8.370 nan 0.000 0.494 641 Y N 0.276 120.557 120.300 -0.031 0.000 2.133 641 Y HA -0.116 4.438 4.550 0.007 0.000 0.287 641 Y C 1.988 177.887 175.900 -0.001 0.000 1.134 641 Y CA 1.163 59.268 58.100 0.008 0.000 1.133 641 Y CB -0.035 38.457 38.460 0.053 0.000 0.987 641 Y HN -0.057 nan 8.280 nan 0.000 0.502 642 I N 1.338 122.093 120.570 0.308 0.000 2.361 642 I HA -0.298 3.877 4.170 0.007 0.000 0.251 642 I C 2.366 178.452 176.117 -0.052 0.000 1.133 642 I CA 1.559 62.927 61.300 0.114 0.000 1.413 642 I CB -1.260 36.790 38.000 0.083 0.000 1.073 642 I HN 0.354 nan 8.210 nan 0.000 0.424 643 K N 1.576 121.970 120.400 -0.009 0.000 2.032 643 K HA -0.227 4.097 4.320 0.007 0.000 0.209 643 K C 2.086 178.647 176.600 -0.066 0.000 1.048 643 K CA 1.602 57.863 56.287 -0.043 0.000 0.927 643 K CB -0.006 32.480 32.500 -0.023 0.000 0.712 643 K HN 0.228 nan 8.250 nan 0.000 0.441 644 K N 0.647 120.995 120.400 -0.087 0.000 2.063 644 K HA -0.123 4.201 4.320 0.007 0.000 0.208 644 K C 2.255 178.764 176.600 -0.151 0.000 1.048 644 K CA 1.563 57.771 56.287 -0.132 0.000 0.928 644 K CB -0.191 32.186 32.500 -0.206 0.000 0.713 644 K HN 0.184 nan 8.250 nan 0.000 0.442 645 L N 0.597 121.719 121.223 -0.168 0.000 2.013 645 L HA -0.257 4.087 4.340 0.007 0.000 0.212 645 L C 2.578 179.387 176.870 -0.101 0.000 1.073 645 L CA 1.456 56.208 54.840 -0.147 0.000 0.753 645 L CB -0.516 41.496 42.059 -0.078 0.000 0.890 645 L HN 0.301 nan 8.230 nan 0.000 0.432 646 M N -1.189 118.374 119.600 -0.061 0.000 2.117 646 M HA -0.187 4.297 4.480 0.007 0.000 0.262 646 M C 2.289 178.573 176.300 -0.027 0.000 1.065 646 M CA 1.927 57.217 55.300 -0.018 0.000 1.114 646 M CB -0.917 31.670 32.600 -0.021 0.000 1.361 646 M HN 0.213 nan 8.290 nan 0.000 0.408 647 T N 0.827 115.355 114.554 -0.043 0.000 2.746 647 T HA -0.114 4.240 4.350 0.007 0.000 0.267 647 T C 1.709 176.385 174.700 -0.041 0.000 1.039 647 T CA 1.292 63.372 62.100 -0.033 0.000 1.142 647 T CB -0.148 68.697 68.868 -0.039 0.000 0.866 647 T HN 0.373 nan 8.240 nan 0.000 0.444 648 K N 0.245 120.600 120.400 -0.074 0.000 2.439 648 K HA 0.164 4.488 4.320 0.007 0.000 0.197 648 K C 1.324 177.871 176.600 -0.089 0.000 1.041 648 K CA 0.491 56.728 56.287 -0.083 0.000 0.970 648 K CB 0.075 32.502 32.500 -0.121 0.000 0.773 648 K HN 0.408 nan 8.250 nan 0.000 0.479 649 G N 1.743 110.487 108.800 -0.093 0.000 2.149 649 G HA2 -0.282 3.682 3.960 0.007 0.000 0.235 649 G HA3 -0.282 3.682 3.960 0.007 0.000 0.235 649 G C 0.372 175.104 174.900 -0.280 0.000 1.018 649 G CA 0.040 45.085 45.100 -0.092 0.000 0.728 649 G HN 0.338 nan 8.290 nan 0.000 0.508 650 R N -1.241 119.030 120.500 -0.383 0.000 2.472 650 R HA 0.302 4.646 4.340 0.007 0.000 0.279 650 R C -0.259 175.783 176.300 -0.429 0.000 0.953 650 R CA -0.152 55.542 56.100 -0.677 0.000 1.088 650 R CB 0.737 30.674 30.300 -0.605 0.000 1.197 650 R HN 0.379 nan 8.270 nan 0.000 0.536 651 Y N 0.594 120.660 120.300 -0.389 0.000 2.344 651 Y HA 0.339 4.893 4.550 0.007 0.000 0.328 651 Y C -1.244 174.522 175.900 -0.222 0.000 1.067 651 Y CA -0.833 57.067 58.100 -0.334 0.000 1.247 651 Y CB 1.351 39.663 38.460 -0.246 0.000 1.113 651 Y HN -0.188 nan 8.280 nan 0.000 0.465 652 S N 5.677 121.207 115.700 -0.283 0.000 2.503 652 S HA 0.778 5.252 4.470 0.007 0.000 0.301 652 S C -1.283 173.476 174.600 0.265 0.000 1.087 652 S CA -0.639 57.566 58.200 0.008 0.000 1.042 652 S CB 1.684 64.811 63.200 -0.121 0.000 1.043 652 S HN 0.488 nan 8.310 nan 0.000 0.489 653 L N 2.046 123.543 121.223 0.457 0.000 2.333 653 L HA 0.626 4.970 4.340 0.007 0.000 0.269 653 L C -0.455 176.632 176.870 0.361 0.000 1.010 653 L CA -0.278 54.828 54.840 0.442 0.000 0.818 653 L CB 1.513 43.725 42.059 0.255 0.000 1.306 653 L HN 0.584 nan 8.230 nan 0.000 0.430 654 D N 1.467 121.908 120.400 0.069 0.000 2.621 654 D HA 0.323 4.967 4.640 0.007 0.000 0.274 654 D C -1.431 174.787 176.300 -0.137 0.000 1.215 654 D CA -0.159 53.747 54.000 -0.158 0.000 0.810 654 D CB 0.987 41.314 40.800 -0.788 0.000 1.248 654 D HN 0.242 nan 8.370 nan 0.000 0.517 655 V N -0.074 119.792 119.914 -0.081 0.000 2.555 655 V HA 0.619 4.743 4.120 0.007 0.000 0.302 655 V C 0.077 176.144 176.094 -0.045 0.000 1.038 655 V CA -0.702 61.440 62.300 -0.264 0.000 0.887 655 V CB 1.597 33.332 31.823 -0.146 0.000 0.991 655 V HN 0.232 nan 8.190 nan 0.000 0.434 656 W N 3.282 124.540 121.300 -0.069 0.000 3.316 656 W HA 0.437 5.101 4.660 0.007 0.000 0.327 656 W C 0.854 177.326 176.519 -0.078 0.000 1.232 656 W CA 0.219 57.504 57.345 -0.100 0.000 1.805 656 W CB -1.094 28.300 29.460 -0.110 0.000 1.090 656 W HN 0.917 nan 8.180 nan 0.000 0.654 657 S N 0.000 115.757 115.700 0.095 0.000 2.498 657 S HA 0.000 4.474 4.470 0.007 0.000 0.327 657 S CA 0.000 58.231 58.200 0.052 0.000 1.107 657 S CB 0.000 63.221 63.200 0.035 0.000 0.593 657 S HN 0.000 nan 8.310 nan 0.000 0.517