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 1w91_1_D DATA FIRST_RESID 4 DATA SEQUENCE VNVPSNGREK FKKNWKFCVG TGRLGLALQK EYLDHLKLVQ EKIGFRYIRG DATA SEQUENCE HGLLSDDVGI YREVEIDGEM KPFYNFTYID RIVDSYLALN IRPFIEFGFM DATA SEQUENCE PKALASGDQT VFYWKGNVTP PKDYNKWRDL IVAVVSHFIE RYGIEEVRTW DATA SEQUENCE LFEVWNEPNL VNFWKDANKQ EYFKLYEVTA RAVKSVDPHL QVGGPAICGG DATA SEQUENCE SDEWITDFLH FCAERRVPVD FVSRHAYTSK APHKKTFEYY YQELEPPEDM DATA SEQUENCE LEQFKTVRAL IRQSPFPHLP LHITEYNTSY SPINPVHDTA LNAAYIARIL DATA SEQUENCE SEGGDYVDSF SYWTFSDVFE EMDVPKALFH GGFGLVALHS IPKPTFHAFT DATA SEQUENCE FFNALGDELL YRDGEMIVTR RKDGSIAAVL WNLVMEKGEG LTKEVQLVIP DATA SEQUENCE VSFSAVFIKR QIVNEQYGNA WRVWKQMGRP RFPSRQAVET LRQVAQPHVM DATA SEQUENCE TEQRRATDGV IHLSIVLSKN EVTLIEIEQV RDETSTYVGL DDGEITSYS 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 175.907 176.094 -0.311 0.000 1.182 4 V CA 0.000 62.121 62.300 -0.298 0.000 1.235 4 V CB 0.000 31.530 31.823 -0.488 0.000 1.184 5 N N 2.690 121.234 118.700 -0.261 0.000 2.434 5 N HA 0.477 5.217 4.740 -0.000 0.000 0.272 5 N C -0.466 174.885 175.510 -0.266 0.000 1.040 5 N CA -0.301 52.616 53.050 -0.223 0.000 0.956 5 N CB 2.698 41.108 38.487 -0.128 0.000 1.108 5 N HN 0.455 nan 8.380 nan 0.000 0.481 6 V N 4.673 124.437 119.914 -0.251 0.000 2.385 6 V HA 0.206 4.326 4.120 -0.000 0.000 0.269 6 V C -1.881 174.154 176.094 -0.097 0.000 1.043 6 V CA -1.627 60.555 62.300 -0.197 0.000 0.906 6 V CB 0.958 32.661 31.823 -0.200 0.000 0.995 6 V HN 0.482 nan 8.190 nan 0.000 0.467 7 P HA 0.012 nan 4.420 nan 0.000 0.265 7 P C 0.880 178.159 177.300 -0.035 0.000 1.187 7 P CA 0.315 63.406 63.100 -0.015 0.000 0.766 7 P CB 0.578 32.295 31.700 0.029 0.000 0.820 8 S N 1.223 116.895 115.700 -0.047 0.000 2.446 8 S HA 0.018 4.488 4.470 -0.000 0.000 0.225 8 S C 0.688 175.265 174.600 -0.038 0.000 1.016 8 S CA 0.455 58.618 58.200 -0.062 0.000 0.943 8 S CB -0.288 62.867 63.200 -0.077 0.000 0.786 8 S HN 0.386 nan 8.310 nan 0.000 0.508 9 N N 0.181 118.870 118.700 -0.018 0.000 2.362 9 N HA 0.507 5.247 4.740 -0.000 0.000 0.299 9 N C 0.608 176.125 175.510 0.011 0.000 1.170 9 N CA 0.006 53.055 53.050 -0.002 0.000 0.825 9 N CB 1.824 40.312 38.487 0.000 0.000 1.299 9 N HN 0.283 nan 8.380 nan 0.000 0.502 10 G N -0.264 108.549 108.800 0.021 0.000 2.692 10 G HA2 0.012 3.971 3.960 -0.000 0.000 0.209 10 G HA3 0.012 3.971 3.960 -0.000 0.000 0.209 10 G C 0.852 175.772 174.900 0.033 0.000 1.166 10 G CA 0.830 45.949 45.100 0.032 0.000 0.844 10 G HN 0.774 nan 8.290 nan 0.000 0.596 11 R N -0.144 120.377 120.500 0.034 0.000 1.181 11 R HA -0.236 4.104 4.340 -0.000 0.000 0.012 11 R C 0.558 176.882 176.300 0.040 0.000 0.961 11 R CA 1.662 57.782 56.100 0.032 0.000 1.988 11 R CB -1.697 28.619 30.300 0.026 0.000 0.117 11 R HN 0.445 nan 8.270 nan 0.000 0.732 12 E N 2.074 122.300 120.200 0.044 0.000 2.392 12 E HA 0.165 4.515 4.350 -0.000 0.000 0.264 12 E C -0.997 175.653 176.600 0.083 0.000 1.024 12 E CA -0.058 56.375 56.400 0.056 0.000 0.903 12 E CB 0.780 30.511 29.700 0.052 0.000 0.963 12 E HN 0.190 nan 8.360 nan 0.000 0.432 13 K N 2.681 123.137 120.400 0.093 0.000 2.110 13 K HA 0.291 4.611 4.320 -0.000 0.000 0.263 13 K C -1.131 175.587 176.600 0.196 0.000 0.975 13 K CA -0.549 55.814 56.287 0.128 0.000 0.895 13 K CB 0.638 33.193 32.500 0.091 0.000 1.060 13 K HN 0.387 nan 8.250 nan 0.000 0.448 14 F N 3.258 123.262 119.950 0.090 0.000 2.404 14 F HA 0.303 4.830 4.527 0.000 0.000 0.358 14 F C -0.054 175.855 175.800 0.181 0.000 1.120 14 F CA -0.595 57.480 58.000 0.126 0.000 1.144 14 F CB 0.397 39.472 39.000 0.124 0.000 1.133 14 F HN 0.316 nan 8.300 nan 0.000 0.495 15 K N 5.490 125.670 120.400 -0.367 0.000 2.168 15 K HA 0.205 4.525 4.320 -0.000 0.000 0.258 15 K C 0.742 177.182 176.600 -0.266 0.000 1.010 15 K CA -0.711 55.441 56.287 -0.225 0.000 0.929 15 K CB 0.868 33.307 32.500 -0.101 0.000 0.998 15 K HN 0.567 nan 8.250 nan 0.000 0.479 16 K N 1.534 121.889 120.400 -0.075 0.000 2.444 16 K HA -0.013 4.307 4.320 -0.000 0.000 0.193 16 K C 0.597 177.083 176.600 -0.191 0.000 1.024 16 K CA 0.213 56.441 56.287 -0.099 0.000 1.077 16 K CB -0.021 32.440 32.500 -0.065 0.000 0.833 16 K HN 0.449 nan 8.250 nan 0.000 0.517 17 N N 1.477 120.158 118.700 -0.032 0.000 2.184 17 N HA -0.207 4.533 4.740 -0.000 0.000 0.190 17 N C 1.458 176.928 175.510 -0.066 0.000 1.011 17 N CA 1.238 54.313 53.050 0.043 0.000 0.867 17 N CB -0.377 38.220 38.487 0.184 0.000 0.993 17 N HN 0.527 nan 8.380 nan 0.000 0.433 18 W N 1.977 123.174 121.300 -0.171 0.000 2.465 18 W HA -0.045 4.615 4.660 0.000 0.000 0.268 18 W C 0.359 176.771 176.519 -0.179 0.000 1.242 18 W CA 0.737 57.774 57.345 -0.514 0.000 1.248 18 W CB -0.459 28.907 29.460 -0.157 0.000 1.118 18 W HN 0.227 nan 8.180 nan 0.000 0.587 19 K N -0.946 118.937 120.400 -0.862 0.000 2.564 19 K HA 0.133 4.453 4.320 -0.000 0.000 0.205 19 K C 1.059 177.581 176.600 -0.130 0.000 1.053 19 K CA -0.581 55.360 56.287 -0.576 0.000 1.072 19 K CB -1.011 30.627 32.500 -1.438 0.000 0.822 19 K HN -0.103 nan 8.250 nan 0.000 0.497 20 F N 1.379 121.231 119.950 -0.163 0.000 2.095 20 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 20 F C 0.585 176.457 175.800 0.120 0.000 1.104 20 F CA 0.771 58.775 58.000 0.007 0.000 1.232 20 F CB 0.243 39.268 39.000 0.042 0.000 0.987 20 F HN 0.302 nan 8.300 nan 0.000 0.475 21 C N 0.664 120.072 119.300 0.180 0.000 2.985 21 C HA 0.669 5.129 4.460 -0.000 0.000 0.314 21 C C -0.811 173.993 174.990 -0.310 0.000 1.215 21 C CA -0.558 58.439 59.018 -0.036 0.000 1.414 21 C CB 0.675 28.475 27.740 0.100 0.000 1.842 21 C HN 0.184 nan 8.230 nan 0.000 0.477 22 V N 2.542 122.070 119.914 -0.643 0.000 3.001 22 V HA 0.978 5.098 4.120 -0.000 0.000 0.314 22 V C 0.500 176.316 176.094 -0.463 0.000 1.099 22 V CA -0.109 61.697 62.300 -0.823 0.000 0.989 22 V CB 1.284 32.291 31.823 -1.361 0.000 1.040 22 V HN 1.227 nan 8.190 nan 0.000 0.434 23 G N -0.122 108.481 108.800 -0.329 0.000 2.477 23 G HA2 0.626 4.586 3.960 -0.000 0.000 0.304 23 G HA3 0.626 4.586 3.960 -0.000 0.000 0.304 23 G C -0.519 174.170 174.900 -0.351 0.000 1.175 23 G CA -0.043 44.909 45.100 -0.247 0.000 0.907 23 G HN 1.102 nan 8.290 nan 0.000 0.509 24 T N -1.559 112.750 114.554 -0.408 0.000 2.841 24 T HA 0.654 5.004 4.350 -0.000 0.000 0.296 24 T C 0.623 175.156 174.700 -0.278 0.000 1.166 24 T CA 0.318 62.325 62.100 -0.156 0.000 1.007 24 T CB 1.187 70.174 68.868 0.198 0.000 1.253 24 T HN 0.937 nan 8.240 nan 0.000 0.511 25 G N 1.143 109.965 108.800 0.038 0.000 2.653 25 G HA2 0.469 4.429 3.960 -0.000 0.000 0.265 25 G HA3 0.469 4.429 3.960 -0.000 0.000 0.265 25 G C 0.031 174.890 174.900 -0.067 0.000 1.237 25 G CA -0.766 44.328 45.100 -0.011 0.000 0.946 25 G HN 1.043 nan 8.290 nan 0.000 0.522 26 R N -0.473 119.882 120.500 -0.241 0.000 2.756 26 R HA 0.089 4.429 4.340 -0.000 0.000 0.264 26 R C 1.030 177.185 176.300 -0.242 0.000 1.026 26 R CA -0.461 55.476 56.100 -0.273 0.000 1.121 26 R CB 0.388 30.226 30.300 -0.771 0.000 0.999 26 R HN 0.374 nan 8.270 nan 0.000 0.449 27 L N 1.981 123.103 121.223 -0.168 0.000 2.127 27 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 27 L C 2.519 179.213 176.870 -0.295 0.000 1.089 27 L CA 1.792 56.533 54.840 -0.165 0.000 0.757 27 L CB -1.035 40.987 42.059 -0.062 0.000 0.899 27 L HN 1.076 nan 8.230 nan 0.000 0.434 28 G N 0.544 109.163 108.800 -0.301 0.000 2.462 28 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 28 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 28 G C 1.614 176.273 174.900 -0.402 0.000 1.121 28 G CA 0.443 45.346 45.100 -0.328 0.000 0.758 28 G HN 0.309 nan 8.290 nan 0.000 0.559 29 L N 0.544 121.518 121.223 -0.416 0.000 2.362 29 L HA 0.030 4.370 4.340 -0.000 0.000 0.219 29 L C 3.129 179.543 176.870 -0.760 0.000 1.134 29 L CA 0.530 55.120 54.840 -0.416 0.000 0.807 29 L CB -0.253 41.666 42.059 -0.233 0.000 0.927 29 L HN 0.286 nan 8.230 nan 0.000 0.447 30 A N 0.097 122.294 122.820 -1.037 0.000 2.172 30 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 30 A C 2.127 179.300 177.584 -0.684 0.000 1.154 30 A CA 0.827 52.029 52.037 -1.392 0.000 0.701 30 A CB -0.461 17.953 19.000 -0.976 0.000 0.789 30 A HN 0.426 nan 8.150 nan 0.000 0.465 31 L N -0.533 120.378 121.223 -0.521 0.000 2.478 31 L HA -0.051 4.289 4.340 -0.000 0.000 0.223 31 L C 0.838 177.553 176.870 -0.260 0.000 1.140 31 L CA 0.160 54.775 54.840 -0.374 0.000 0.842 31 L CB -0.351 41.436 42.059 -0.454 0.000 0.953 31 L HN 0.440 nan 8.230 nan 0.000 0.452 32 Q N 0.697 120.352 119.800 -0.241 0.000 2.313 32 Q HA -0.045 4.295 4.340 -0.000 0.000 0.266 32 Q C 0.872 176.837 176.000 -0.059 0.000 0.989 32 Q CA -0.068 55.657 55.803 -0.131 0.000 0.890 32 Q CB 1.373 30.048 28.738 -0.106 0.000 1.200 32 Q HN -0.003 nan 8.270 nan 0.000 0.396 33 K N 2.685 123.050 120.400 -0.057 0.000 2.103 33 K HA -0.271 4.049 4.320 -0.000 0.000 0.207 33 K C 1.596 178.176 176.600 -0.032 0.000 1.048 33 K CA 1.888 58.156 56.287 -0.031 0.000 0.930 33 K CB 0.129 32.610 32.500 -0.032 0.000 0.716 33 K HN 0.567 nan 8.250 nan 0.000 0.444 34 E N -0.470 119.678 120.200 -0.086 0.000 2.051 34 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 34 E C 1.823 178.222 176.600 -0.334 0.000 0.991 34 E CA 1.550 57.826 56.400 -0.207 0.000 0.799 34 E CB -0.553 28.989 29.700 -0.263 0.000 0.748 34 E HN 0.478 nan 8.360 nan 0.000 0.449 35 Y N 0.463 120.568 120.300 -0.325 0.000 2.102 35 Y HA -0.245 4.305 4.550 -0.000 0.000 0.280 35 Y C 1.901 177.812 175.900 0.017 0.000 1.178 35 Y CA 2.086 60.078 58.100 -0.179 0.000 1.146 35 Y CB -0.093 38.323 38.460 -0.074 0.000 0.968 35 Y HN 0.088 nan 8.280 nan 0.000 0.504 36 L N -0.600 120.776 121.223 0.255 0.000 2.179 36 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 36 L C 1.907 178.845 176.870 0.114 0.000 1.096 36 L CA 0.919 55.878 54.840 0.199 0.000 0.779 36 L CB -0.505 41.630 42.059 0.128 0.000 0.922 36 L HN 0.213 nan 8.230 nan 0.000 0.443 37 D N -0.450 119.998 120.400 0.079 0.000 2.097 37 D HA -0.191 4.449 4.640 -0.000 0.000 0.195 37 D C 2.011 178.433 176.300 0.204 0.000 0.989 37 D CA 1.453 55.519 54.000 0.110 0.000 0.827 37 D CB -0.329 40.536 40.800 0.107 0.000 0.966 37 D HN 0.469 nan 8.370 nan 0.000 0.456 38 H N 0.097 119.192 119.070 0.041 0.000 2.387 38 H HA 0.002 4.558 4.556 -0.000 0.000 0.299 38 H C 2.339 177.794 175.328 0.211 0.000 1.090 38 H CA 0.117 56.203 56.048 0.063 0.000 1.332 38 H CB 0.168 29.885 29.762 -0.075 0.000 1.386 38 H HN 0.056 nan 8.280 nan 0.000 0.516 39 L N 1.248 122.663 121.223 0.321 0.000 2.093 39 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 39 L C 2.560 179.439 176.870 0.014 0.000 1.085 39 L CA 1.312 56.148 54.840 -0.007 0.000 0.755 39 L CB -0.216 41.731 42.059 -0.187 0.000 0.904 39 L HN 0.245 nan 8.230 nan 0.000 0.435 40 K N 0.082 120.522 120.400 0.066 0.000 2.057 40 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 40 K C 2.157 178.802 176.600 0.074 0.000 1.050 40 K CA 1.145 57.463 56.287 0.051 0.000 0.935 40 K CB -0.110 32.422 32.500 0.054 0.000 0.715 40 K HN 0.303 nan 8.250 nan 0.000 0.439 41 L N 1.042 122.331 121.223 0.110 0.000 2.017 41 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 41 L C 2.230 179.238 176.870 0.231 0.000 1.073 41 L CA 1.332 56.254 54.840 0.138 0.000 0.745 41 L CB -0.251 41.856 42.059 0.081 0.000 0.894 41 L HN 0.123 nan 8.230 nan 0.000 0.432 42 V N -0.287 119.780 119.914 0.255 0.000 2.407 42 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 42 V C 2.566 178.699 176.094 0.065 0.000 1.055 42 V CA 1.488 63.940 62.300 0.252 0.000 1.049 42 V CB -0.449 31.545 31.823 0.284 0.000 0.662 42 V HN 0.525 nan 8.190 nan 0.000 0.455 43 Q N -0.336 119.475 119.800 0.019 0.000 2.172 43 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 43 Q C 2.182 178.158 176.000 -0.040 0.000 0.964 43 Q CA 1.309 57.082 55.803 -0.050 0.000 0.855 43 Q CB -0.184 28.511 28.738 -0.073 0.000 0.918 43 Q HN 0.736 nan 8.270 nan 0.000 0.444 44 E N 0.439 120.647 120.200 0.014 0.000 2.072 44 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 44 E C 1.728 178.349 176.600 0.034 0.000 0.985 44 E CA 0.856 57.273 56.400 0.029 0.000 0.801 44 E CB 0.109 29.845 29.700 0.060 0.000 0.750 44 E HN 0.226 nan 8.360 nan 0.000 0.452 45 K N -0.415 120.019 120.400 0.058 0.000 2.356 45 K HA 0.156 4.476 4.320 -0.000 0.000 0.195 45 K C 1.573 178.127 176.600 -0.077 0.000 1.037 45 K CA 0.493 56.805 56.287 0.042 0.000 1.014 45 K CB 0.735 33.335 32.500 0.166 0.000 0.815 45 K HN 0.130 nan 8.250 nan 0.000 0.507 46 I N -1.176 119.292 120.570 -0.171 0.000 3.669 46 I HA 0.143 4.313 4.170 -0.000 0.000 0.255 46 I C 0.448 176.315 176.117 -0.418 0.000 1.144 46 I CA 0.142 61.243 61.300 -0.331 0.000 1.447 46 I CB 0.746 38.389 38.000 -0.595 0.000 1.622 46 I HN 0.115 nan 8.210 nan 0.000 0.435 47 G N 2.508 111.053 108.800 -0.424 0.000 2.638 47 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.269 47 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.269 47 G C -0.310 174.317 174.900 -0.455 0.000 1.141 47 G CA -0.628 44.274 45.100 -0.330 0.000 1.081 47 G HN 0.090 nan 8.290 nan 0.000 0.527 48 F N 0.016 119.782 119.950 -0.306 0.000 2.459 48 F HA 0.385 4.912 4.527 -0.000 0.000 0.346 48 F C 2.098 177.647 175.800 -0.419 0.000 1.128 48 F CA -0.313 57.467 58.000 -0.366 0.000 1.268 48 F CB 0.650 39.428 39.000 -0.370 0.000 1.161 48 F HN 0.164 nan 8.300 nan 0.000 0.583 49 R N 1.180 121.519 120.500 -0.268 0.000 2.100 49 R HA 0.030 4.370 4.340 -0.000 0.000 0.220 49 R C -0.628 175.120 176.300 -0.920 0.000 1.091 49 R CA 0.919 56.664 56.100 -0.591 0.000 0.986 49 R CB 0.053 29.961 30.300 -0.654 0.000 0.888 49 R HN 0.523 nan 8.270 nan 0.000 0.444 50 Y N -0.866 119.124 120.300 -0.517 0.000 2.570 50 Y HA 0.514 5.064 4.550 -0.000 0.000 0.345 50 Y C -0.428 175.177 175.900 -0.492 0.000 1.014 50 Y CA -1.016 56.770 58.100 -0.525 0.000 1.063 50 Y CB 2.080 40.221 38.460 -0.531 0.000 1.272 50 Y HN -0.165 nan 8.280 nan 0.000 0.477 51 I N 2.219 122.556 120.570 -0.388 0.000 2.582 51 I HA 0.526 4.696 4.170 -0.000 0.000 0.292 51 I C -1.418 174.498 176.117 -0.335 0.000 1.066 51 I CA -0.859 60.151 61.300 -0.483 0.000 1.053 51 I CB 1.339 38.879 38.000 -0.767 0.000 1.241 51 I HN 0.565 nan 8.210 nan 0.000 0.421 52 R N 5.666 126.008 120.500 -0.262 0.000 2.451 52 R HA 0.715 5.055 4.340 -0.000 0.000 0.307 52 R C -1.217 175.045 176.300 -0.064 0.000 0.965 52 R CA -0.472 55.520 56.100 -0.181 0.000 0.865 52 R CB 1.691 31.782 30.300 -0.348 0.000 1.174 52 R HN 0.900 nan 8.270 nan 0.000 0.455 53 G N 2.437 111.224 108.800 -0.022 0.000 2.694 53 G HA2 0.429 4.389 3.960 -0.000 0.000 0.290 53 G HA3 0.429 4.389 3.960 -0.000 0.000 0.290 53 G C -1.128 173.808 174.900 0.060 0.000 1.386 53 G CA -0.494 44.618 45.100 0.020 0.000 0.872 53 G HN 0.555 nan 8.290 nan 0.000 0.475 54 H N -1.012 118.188 119.070 0.216 0.000 2.505 54 H HA 0.531 5.087 4.556 -0.000 0.000 0.358 54 H C 1.364 176.719 175.328 0.045 0.000 1.304 54 H CA 0.325 56.441 56.048 0.113 0.000 1.393 54 H CB 1.194 31.183 29.762 0.378 0.000 1.591 54 H HN 1.405 nan 8.280 nan 0.000 0.595 55 G N 0.124 109.022 108.800 0.163 0.000 2.143 55 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.249 55 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.249 55 G C 1.092 176.057 174.900 0.108 0.000 0.981 55 G CA 0.556 45.739 45.100 0.138 0.000 0.665 55 G HN 0.552 nan 8.290 nan 0.000 0.528 56 L N 0.047 121.347 121.223 0.128 0.000 2.043 56 L HA 0.112 4.452 4.340 -0.000 0.000 0.212 56 L C 2.342 179.351 176.870 0.231 0.000 1.075 56 L CA 2.623 57.573 54.840 0.183 0.000 0.752 56 L CB -0.271 41.922 42.059 0.225 0.000 0.891 56 L HN 0.429 nan 8.230 nan 0.000 0.432 57 L N -1.295 120.086 121.223 0.265 0.000 2.607 57 L HA 0.168 4.507 4.340 -0.000 0.000 0.228 57 L C 1.047 178.106 176.870 0.315 0.000 1.123 57 L CA -0.361 54.655 54.840 0.294 0.000 0.890 57 L CB -0.311 41.953 42.059 0.342 0.000 1.103 57 L HN 0.058 nan 8.230 nan 0.000 0.468 58 S N -0.265 115.624 115.700 0.314 0.000 2.624 58 S HA 0.046 4.516 4.470 -0.000 0.000 0.263 58 S C 0.800 175.561 174.600 0.268 0.000 1.287 58 S CA -0.546 57.873 58.200 0.364 0.000 0.990 58 S CB 0.943 64.464 63.200 0.535 0.000 0.950 58 S HN 0.193 nan 8.310 nan 0.000 0.561 59 D N 0.949 121.509 120.400 0.267 0.000 2.323 59 D HA -0.086 4.554 4.640 -0.000 0.000 0.209 59 D C 1.430 177.828 176.300 0.163 0.000 0.973 59 D CA 0.515 54.639 54.000 0.206 0.000 0.874 59 D CB -0.115 40.801 40.800 0.194 0.000 0.930 59 D HN 0.637 nan 8.370 nan 0.000 0.521 60 D N 1.129 121.614 120.400 0.142 0.000 2.117 60 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 60 D C 2.078 178.491 176.300 0.189 0.000 0.987 60 D CA 0.607 54.676 54.000 0.115 0.000 0.829 60 D CB -0.620 40.189 40.800 0.015 0.000 0.961 60 D HN 0.067 nan 8.370 nan 0.000 0.460 61 V N 0.640 120.646 119.914 0.154 0.000 2.594 61 V HA -0.022 4.098 4.120 -0.000 0.000 0.253 61 V C 2.171 178.404 176.094 0.233 0.000 1.069 61 V CA 1.606 64.044 62.300 0.230 0.000 1.082 61 V CB -1.203 30.708 31.823 0.147 0.000 0.680 61 V HN 0.623 nan 8.190 nan 0.000 0.469 62 G N -0.501 108.395 108.800 0.159 0.000 2.143 62 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.248 62 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.248 62 G C 0.653 175.575 174.900 0.037 0.000 0.991 62 G CA 0.615 45.763 45.100 0.080 0.000 0.689 62 G HN 0.467 nan 8.290 nan 0.000 0.522 63 I N -1.100 119.510 120.570 0.067 0.000 2.099 63 I HA -0.057 4.113 4.170 -0.000 0.000 0.239 63 I C 1.532 177.680 176.117 0.051 0.000 1.066 63 I CA 1.282 62.571 61.300 -0.019 0.000 1.324 63 I CB -0.124 37.895 38.000 0.032 0.000 1.037 63 I HN 0.335 nan 8.210 nan 0.000 0.401 64 Y N 3.230 123.560 120.300 0.049 0.000 2.367 64 Y HA 0.399 4.949 4.550 -0.000 0.000 0.342 64 Y C -0.115 175.808 175.900 0.039 0.000 0.979 64 Y CA -0.724 57.417 58.100 0.068 0.000 1.161 64 Y CB 0.175 38.715 38.460 0.135 0.000 1.155 64 Y HN -0.025 nan 8.280 nan 0.000 0.503 65 R N 4.597 124.781 120.500 -0.526 0.000 2.750 65 R HA 0.339 4.679 4.340 -0.000 0.000 0.281 65 R C -1.128 174.812 176.300 -0.600 0.000 0.972 65 R CA -1.028 54.845 56.100 -0.379 0.000 0.912 65 R CB 1.886 32.097 30.300 -0.148 0.000 1.187 65 R HN 0.783 nan 8.270 nan 0.000 0.464 66 E N 0.928 120.921 120.200 -0.345 0.000 2.175 66 E HA 0.466 4.816 4.350 -0.000 0.000 0.278 66 E C -0.816 175.691 176.600 -0.155 0.000 0.969 66 E CA -0.686 55.572 56.400 -0.236 0.000 0.796 66 E CB 2.299 31.945 29.700 -0.090 0.000 1.104 66 E HN 0.051 nan 8.360 nan 0.000 0.395 67 V N 2.742 122.569 119.914 -0.145 0.000 2.789 67 V HA 0.147 4.267 4.120 -0.000 0.000 0.311 67 V C -0.661 175.376 176.094 -0.095 0.000 1.073 67 V CA -0.732 61.487 62.300 -0.136 0.000 0.921 67 V CB 2.143 33.857 31.823 -0.183 0.000 1.009 67 V HN 0.680 nan 8.190 nan 0.000 0.426 68 E N 4.017 124.168 120.200 -0.083 0.000 2.105 68 E HA 0.349 4.699 4.350 -0.000 0.000 0.285 68 E C -0.736 175.829 176.600 -0.058 0.000 1.055 68 E CA -0.655 55.710 56.400 -0.059 0.000 0.843 68 E CB 0.718 30.389 29.700 -0.048 0.000 1.067 68 E HN 0.573 nan 8.360 nan 0.000 0.398 69 I N 3.163 123.707 120.570 -0.044 0.000 2.316 69 I HA 0.270 4.440 4.170 -0.000 0.000 0.286 69 I C 0.569 176.671 176.117 -0.025 0.000 1.107 69 I CA -0.438 60.841 61.300 -0.036 0.000 1.219 69 I CB 0.610 38.594 38.000 -0.027 0.000 1.455 69 I HN 0.723 nan 8.210 nan 0.000 0.498 70 D N 4.577 124.960 120.400 -0.028 0.000 4.583 70 D HA -0.331 4.309 4.640 -0.000 0.000 0.265 70 D C 1.410 177.699 176.300 -0.018 0.000 0.609 70 D CA 2.913 56.900 54.000 -0.022 0.000 1.649 70 D CB -0.930 39.861 40.800 -0.016 0.000 0.984 70 D HN 0.715 nan 8.370 nan 0.000 0.385 71 G N 1.039 109.831 108.800 -0.014 0.000 2.833 71 G HA2 0.178 4.138 3.960 -0.000 0.000 0.210 71 G HA3 0.178 4.138 3.960 -0.000 0.000 0.210 71 G C 0.508 175.402 174.900 -0.009 0.000 1.139 71 G CA 0.769 45.864 45.100 -0.010 0.000 0.771 71 G HN 0.587 nan 8.290 nan 0.000 0.535 72 E N 0.263 120.457 120.200 -0.011 0.000 2.340 72 E HA 0.460 4.809 4.350 -0.000 0.000 0.273 72 E C -0.702 175.889 176.600 -0.015 0.000 0.891 72 E CA -1.034 55.362 56.400 -0.007 0.000 0.757 72 E CB 1.262 30.962 29.700 -0.001 0.000 1.231 72 E HN -0.213 nan 8.360 nan 0.000 0.439 73 M N 3.362 122.956 119.600 -0.010 0.000 2.194 73 M HA 0.294 4.774 4.480 -0.000 0.000 0.347 73 M C -0.422 175.867 176.300 -0.018 0.000 1.439 73 M CA 0.236 55.525 55.300 -0.018 0.000 1.131 73 M CB 0.020 32.617 32.600 -0.004 0.000 1.733 73 M HN 0.387 nan 8.290 nan 0.000 0.467 74 K N 4.460 124.833 120.400 -0.045 0.000 2.375 74 K HA 0.622 4.942 4.320 -0.000 0.000 0.249 74 K C -2.564 173.953 176.600 -0.140 0.000 0.942 74 K CA -1.685 54.568 56.287 -0.057 0.000 0.806 74 K CB 2.210 34.682 32.500 -0.046 0.000 1.227 74 K HN 0.264 nan 8.250 nan 0.000 0.430 75 P HA 0.123 nan 4.420 nan 0.000 0.271 75 P C -0.910 176.045 177.300 -0.576 0.000 1.216 75 P CA -0.035 62.762 63.100 -0.505 0.000 0.776 75 P CB 0.274 31.690 31.700 -0.473 0.000 0.881 76 F N 3.336 122.798 119.950 -0.814 0.000 2.529 76 F HA 0.465 4.992 4.527 -0.000 0.000 0.320 76 F C -1.236 174.122 175.800 -0.736 0.000 1.118 76 F CA -0.998 56.610 58.000 -0.653 0.000 0.915 76 F CB 1.318 40.087 39.000 -0.386 0.000 1.161 76 F HN 0.194 nan 8.300 nan 0.000 0.445 77 Y N 4.809 124.543 120.300 -0.943 0.000 2.369 77 Y HA 0.288 4.838 4.550 -0.000 0.000 0.337 77 Y C 0.024 175.158 175.900 -1.277 0.000 0.961 77 Y CA -0.839 56.707 58.100 -0.924 0.000 1.186 77 Y CB 0.767 38.764 38.460 -0.772 0.000 1.139 77 Y HN 0.511 nan 8.280 nan 0.000 0.494 78 N N 3.837 122.107 118.700 -0.717 0.000 2.457 78 N HA 0.182 4.922 4.740 -0.000 0.000 0.250 78 N C -0.635 174.553 175.510 -0.537 0.000 0.982 78 N CA -0.361 52.430 53.050 -0.431 0.000 0.941 78 N CB 0.318 38.790 38.487 -0.024 0.000 1.120 78 N HN 0.570 nan 8.380 nan 0.000 0.505 79 F N 1.134 120.986 119.950 -0.163 0.000 2.732 79 F HA 0.114 4.641 4.527 -0.000 0.000 0.303 79 F C 2.058 177.854 175.800 -0.005 0.000 1.110 79 F CA -0.190 57.716 58.000 -0.157 0.000 1.355 79 F CB 0.345 39.028 39.000 -0.529 0.000 1.081 79 F HN 0.363 nan 8.300 nan 0.000 0.565 80 T N -0.308 114.292 114.554 0.076 0.000 2.624 80 T HA -0.264 4.086 4.350 -0.000 0.000 0.268 80 T C 1.580 176.402 174.700 0.203 0.000 1.041 80 T CA 1.870 64.017 62.100 0.078 0.000 1.159 80 T CB -0.377 68.439 68.868 -0.087 0.000 0.863 80 T HN 0.194 nan 8.240 nan 0.000 0.434 81 Y N 1.140 121.485 120.300 0.075 0.000 2.243 81 Y HA 0.100 4.650 4.550 -0.000 0.000 0.293 81 Y C 2.252 178.195 175.900 0.071 0.000 1.124 81 Y CA -0.424 57.702 58.100 0.044 0.000 1.159 81 Y CB -0.984 37.481 38.460 0.009 0.000 1.008 81 Y HN 0.286 nan 8.280 nan 0.000 0.527 82 I N -1.341 119.418 120.570 0.315 0.000 2.546 82 I HA -0.112 4.058 4.170 -0.000 0.000 0.255 82 I C 1.578 177.901 176.117 0.343 0.000 1.163 82 I CA 0.939 62.419 61.300 0.301 0.000 1.457 82 I CB -0.857 37.411 38.000 0.448 0.000 1.092 82 I HN -0.109 nan 8.210 nan 0.000 0.434 83 D N 1.339 121.973 120.400 0.390 0.000 2.123 83 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 83 D C 2.261 178.706 176.300 0.242 0.000 0.992 83 D CA 1.152 55.379 54.000 0.379 0.000 0.833 83 D CB -0.291 40.709 40.800 0.334 0.000 0.954 83 D HN 0.378 nan 8.370 nan 0.000 0.455 84 R N 0.255 120.856 120.500 0.169 0.000 2.066 84 R HA -0.042 4.298 4.340 -0.000 0.000 0.232 84 R C 2.464 178.741 176.300 -0.039 0.000 1.131 84 R CA 0.724 56.869 56.100 0.075 0.000 0.955 84 R CB -0.281 30.061 30.300 0.071 0.000 0.851 84 R HN 0.163 nan 8.270 nan 0.000 0.432 85 I N 0.246 120.748 120.570 -0.112 0.000 2.163 85 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 85 I C 2.227 178.052 176.117 -0.487 0.000 1.085 85 I CA 1.217 62.299 61.300 -0.363 0.000 1.347 85 I CB -0.152 37.625 38.000 -0.370 0.000 1.044 85 I HN 0.046 nan 8.210 nan 0.000 0.408 86 V N 0.491 120.268 119.914 -0.228 0.000 2.453 86 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 86 V C 1.992 178.008 176.094 -0.129 0.000 1.048 86 V CA 1.699 63.853 62.300 -0.244 0.000 1.049 86 V CB -0.731 30.945 31.823 -0.245 0.000 0.672 86 V HN 0.367 nan 8.190 nan 0.000 0.457 87 D N 0.962 121.403 120.400 0.067 0.000 2.133 87 D HA -0.189 4.451 4.640 -0.000 0.000 0.192 87 D C 2.440 178.742 176.300 0.003 0.000 1.001 87 D CA 2.067 56.128 54.000 0.102 0.000 0.844 87 D CB -0.404 40.476 40.800 0.133 0.000 0.944 87 D HN 0.604 nan 8.370 nan 0.000 0.447 88 S N -0.498 115.157 115.700 -0.075 0.000 2.383 88 S HA -0.179 4.291 4.470 -0.000 0.000 0.227 88 S C 2.087 176.681 174.600 -0.010 0.000 1.026 88 S CA 0.549 58.708 58.200 -0.068 0.000 0.981 88 S CB -0.640 62.490 63.200 -0.117 0.000 0.818 88 S HN 0.157 nan 8.310 nan 0.000 0.472 89 Y N 2.169 122.390 120.300 -0.133 0.000 2.145 89 Y HA 0.123 4.673 4.550 -0.000 0.000 0.286 89 Y C 2.382 178.157 175.900 -0.209 0.000 1.145 89 Y CA 0.201 58.178 58.100 -0.205 0.000 1.148 89 Y CB -1.013 37.260 38.460 -0.312 0.000 0.981 89 Y HN 0.238 nan 8.280 nan 0.000 0.507 90 L N -0.917 120.292 121.223 -0.022 0.000 2.131 90 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 90 L C 2.509 179.361 176.870 -0.030 0.000 1.092 90 L CA 1.025 55.827 54.840 -0.063 0.000 0.759 90 L CB -0.804 41.222 42.059 -0.056 0.000 0.903 90 L HN 0.152 nan 8.230 nan 0.000 0.435 91 A N -0.273 122.544 122.820 -0.004 0.000 2.067 91 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 91 A C 1.932 179.507 177.584 -0.015 0.000 1.158 91 A CA 0.962 52.998 52.037 -0.001 0.000 0.661 91 A CB -0.342 18.665 19.000 0.012 0.000 0.801 91 A HN 0.415 nan 8.150 nan 0.000 0.452 92 L N -0.496 120.712 121.223 -0.025 0.000 2.741 92 L HA 0.141 4.481 4.340 -0.000 0.000 0.237 92 L C -0.153 176.661 176.870 -0.094 0.000 1.178 92 L CA -0.305 54.507 54.840 -0.046 0.000 0.973 92 L CB -0.231 41.806 42.059 -0.036 0.000 1.255 92 L HN 0.314 nan 8.230 nan 0.000 0.498 93 N N 1.035 119.673 118.700 -0.103 0.000 2.754 93 N HA -0.210 4.530 4.740 -0.000 0.000 0.248 93 N C -0.443 174.925 175.510 -0.237 0.000 1.093 93 N CA 0.964 53.925 53.050 -0.148 0.000 0.699 93 N CB -1.157 37.253 38.487 -0.128 0.000 1.016 93 N HN 0.406 nan 8.380 nan 0.000 0.552 94 I N -0.410 119.992 120.570 -0.280 0.000 2.730 94 I HA 0.416 4.586 4.170 -0.000 0.000 0.298 94 I C -0.619 175.190 176.117 -0.514 0.000 1.089 94 I CA -0.797 60.246 61.300 -0.428 0.000 1.041 94 I CB 1.493 39.228 38.000 -0.442 0.000 1.235 94 I HN -0.087 nan 8.210 nan 0.000 0.423 95 R N 6.172 126.257 120.500 -0.691 0.000 2.778 95 R HA 0.521 4.861 4.340 -0.000 0.000 0.277 95 R C -2.722 173.130 176.300 -0.747 0.000 0.977 95 R CA -1.922 53.718 56.100 -0.767 0.000 0.950 95 R CB 1.579 31.422 30.300 -0.762 0.000 1.165 95 R HN 0.307 nan 8.270 nan 0.000 0.474 96 P HA 0.066 nan 4.420 nan 0.000 0.276 96 P C -0.910 176.086 177.300 -0.507 0.000 1.243 96 P CA 0.056 62.696 63.100 -0.766 0.000 0.768 96 P CB 0.187 31.296 31.700 -0.984 0.000 0.856 97 F N 4.967 124.654 119.950 -0.438 0.000 2.384 97 F HA 0.249 4.776 4.527 0.000 0.000 0.359 97 F C 0.378 175.975 175.800 -0.337 0.000 1.143 97 F CA -1.205 56.559 58.000 -0.394 0.000 1.216 97 F CB 0.207 38.999 39.000 -0.348 0.000 1.512 97 F HN 0.113 nan 8.300 nan 0.000 0.573 98 I N 4.481 124.934 120.570 -0.196 0.000 2.742 98 I HA -0.053 4.117 4.170 -0.000 0.000 0.287 98 I C 0.395 176.480 176.117 -0.053 0.000 1.186 98 I CA 0.687 61.854 61.300 -0.220 0.000 1.417 98 I CB 0.261 37.984 38.000 -0.460 0.000 1.377 98 I HN 0.600 nan 8.210 nan 0.000 0.556 99 E N 7.497 127.689 120.200 -0.013 0.000 2.129 99 E HA 0.276 4.626 4.350 -0.000 0.000 0.268 99 E C -1.219 175.426 176.600 0.075 0.000 0.900 99 E CA -0.674 55.774 56.400 0.079 0.000 0.755 99 E CB 0.862 30.639 29.700 0.128 0.000 1.117 99 E HN 0.297 nan 8.360 nan 0.000 0.410 100 F N 3.379 123.547 119.950 0.363 0.000 2.468 100 F HA 0.415 4.942 4.527 -0.000 0.000 0.356 100 F C 1.102 177.161 175.800 0.432 0.000 1.167 100 F CA 0.409 58.644 58.000 0.392 0.000 1.135 100 F CB 0.978 40.255 39.000 0.462 0.000 1.197 100 F HN 0.557 nan 8.300 nan 0.000 0.569 101 G N 2.287 111.330 108.800 0.404 0.000 2.316 101 G HA2 0.308 4.268 3.960 -0.000 0.000 0.296 101 G HA3 0.308 4.268 3.960 -0.000 0.000 0.296 101 G C -1.244 173.628 174.900 -0.046 0.000 1.399 101 G CA -0.984 44.140 45.100 0.040 0.000 0.833 101 G HN 0.186 nan 8.290 nan 0.000 0.565 102 F N -0.286 119.785 119.950 0.201 0.000 2.173 102 F HA 0.743 5.270 4.527 -0.000 0.000 0.219 102 F C 1.152 177.185 175.800 0.388 0.000 0.794 102 F CA -0.308 57.664 58.000 -0.047 0.000 1.131 102 F CB 0.303 39.254 39.000 -0.082 0.000 2.087 102 F HN 0.374 nan 8.300 nan 0.000 0.628 103 M N 2.204 122.245 119.600 0.734 0.000 2.108 103 M HA 0.374 4.854 4.480 -0.000 0.000 0.354 103 M C -2.592 173.980 176.300 0.454 0.000 1.229 103 M CA -2.517 53.180 55.300 0.662 0.000 1.081 103 M CB 0.644 33.577 32.600 0.555 0.000 1.606 103 M HN -0.052 nan 8.290 nan 0.000 0.467 104 P HA 0.029 nan 4.420 nan 0.000 0.265 104 P C -0.036 177.419 177.300 0.258 0.000 1.193 104 P CA 0.152 63.439 63.100 0.311 0.000 0.765 104 P CB 0.480 32.332 31.700 0.254 0.000 0.823 105 K N 3.368 123.911 120.400 0.239 0.000 2.044 105 K HA -0.227 4.093 4.320 -0.000 0.000 0.210 105 K C 1.745 178.449 176.600 0.173 0.000 1.049 105 K CA 1.908 58.303 56.287 0.180 0.000 0.927 105 K CB -0.507 32.083 32.500 0.148 0.000 0.713 105 K HN 0.497 nan 8.250 nan 0.000 0.443 106 A N 0.434 123.394 122.820 0.233 0.000 2.172 106 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 106 A C 1.789 179.519 177.584 0.244 0.000 1.154 106 A CA 0.937 53.127 52.037 0.255 0.000 0.701 106 A CB -0.191 19.001 19.000 0.320 0.000 0.789 106 A HN 0.329 nan 8.150 nan 0.000 0.465 107 L N -1.365 119.952 121.223 0.156 0.000 2.590 107 L HA 0.242 4.582 4.340 -0.000 0.000 0.227 107 L C 1.334 178.233 176.870 0.048 0.000 1.099 107 L CA 0.006 54.873 54.840 0.045 0.000 0.872 107 L CB -0.090 41.922 42.059 -0.079 0.000 1.088 107 L HN 0.399 nan 8.230 nan 0.000 0.479 108 A N -0.108 122.759 122.820 0.079 0.000 2.445 108 A HA 0.186 4.506 4.320 -0.000 0.000 0.242 108 A C 1.286 178.875 177.584 0.008 0.000 1.075 108 A CA 0.472 52.542 52.037 0.054 0.000 0.777 108 A CB 0.455 19.504 19.000 0.081 0.000 1.013 108 A HN 0.371 nan 8.150 nan 0.000 0.493 109 S N 1.405 117.084 115.700 -0.034 0.000 2.486 109 S HA 0.411 4.881 4.470 -0.000 0.000 0.220 109 S C 0.919 175.492 174.600 -0.045 0.000 1.011 109 S CA 0.413 58.585 58.200 -0.047 0.000 0.921 109 S CB -0.060 63.092 63.200 -0.081 0.000 0.785 109 S HN 1.421 nan 8.310 nan 0.000 0.517 110 G N 0.283 109.054 108.800 -0.049 0.000 3.021 110 G HA2 0.510 4.470 3.960 -0.000 0.000 0.290 110 G HA3 0.510 4.470 3.960 -0.000 0.000 0.290 110 G C -1.117 173.764 174.900 -0.032 0.000 1.291 110 G CA -0.347 44.725 45.100 -0.048 0.000 0.834 110 G HN 0.071 nan 8.290 nan 0.000 0.564 111 D N -0.576 119.798 120.400 -0.043 0.000 2.417 111 D HA 0.076 4.716 4.640 -0.000 0.000 0.207 111 D C 0.906 177.173 176.300 -0.054 0.000 1.075 111 D CA 0.090 54.069 54.000 -0.035 0.000 0.851 111 D CB 0.729 41.508 40.800 -0.034 0.000 0.976 111 D HN 0.364 nan 8.370 nan 0.000 0.505 112 Q N 1.792 121.546 119.800 -0.077 0.000 2.311 112 Q HA 0.154 4.494 4.340 -0.000 0.000 0.272 112 Q C -0.176 175.746 176.000 -0.130 0.000 1.012 112 Q CA 0.470 56.206 55.803 -0.110 0.000 0.891 112 Q CB 0.569 29.229 28.738 -0.130 0.000 1.201 112 Q HN 0.137 nan 8.270 nan 0.000 0.391 113 T N -0.250 114.194 114.554 -0.183 0.000 2.887 113 T HA 0.693 5.043 4.350 -0.000 0.000 0.292 113 T C -0.989 173.462 174.700 -0.414 0.000 1.087 113 T CA -0.850 61.097 62.100 -0.256 0.000 1.009 113 T CB 1.764 70.521 68.868 -0.186 0.000 1.203 113 T HN 0.406 nan 8.240 nan 0.000 0.518 114 V N 1.910 121.442 119.914 -0.638 0.000 2.876 114 V HA 0.822 4.942 4.120 -0.000 0.000 0.312 114 V C -1.302 174.227 176.094 -0.942 0.000 1.085 114 V CA -0.879 60.845 62.300 -0.960 0.000 0.945 114 V CB 0.547 31.439 31.823 -1.551 0.000 1.017 114 V HN 1.110 nan 8.190 nan 0.000 0.428 115 F N 3.382 123.054 119.950 -0.464 0.000 2.183 115 F HA -0.253 4.274 4.527 -0.000 0.000 0.318 115 F C 0.563 176.224 175.800 -0.232 0.000 1.269 115 F CA 0.699 58.466 58.000 -0.389 0.000 0.912 115 F CB -0.941 37.553 39.000 -0.844 0.000 4.135 115 F HN 0.792 nan 8.300 nan 0.000 0.137 116 Y N 2.372 122.715 120.300 0.070 0.000 2.207 116 Y HA -0.210 4.340 4.550 -0.000 0.000 0.287 116 Y C 1.938 177.932 175.900 0.157 0.000 1.156 116 Y CA 2.119 60.273 58.100 0.090 0.000 1.182 116 Y CB -0.264 38.270 38.460 0.122 0.000 0.979 116 Y HN 0.480 nan 8.280 nan 0.000 0.521 117 W N 0.805 122.148 121.300 0.073 0.000 3.180 117 W HA 0.231 4.891 4.660 -0.000 0.000 0.254 117 W C -0.132 176.393 176.519 0.009 0.000 1.318 117 W CA 0.409 57.722 57.345 -0.053 0.000 1.608 117 W CB -0.867 28.651 29.460 0.097 0.000 1.124 117 W HN 0.084 nan 8.180 nan 0.000 0.694 118 K N 0.694 121.043 120.400 -0.085 0.000 3.162 118 K HA -0.135 4.185 4.320 -0.000 0.000 0.268 118 K C 0.670 177.244 176.600 -0.044 0.000 1.062 118 K CA 0.604 56.827 56.287 -0.108 0.000 0.769 118 K CB -1.723 30.754 32.500 -0.038 0.000 1.274 118 K HN 0.350 nan 8.250 nan 0.000 0.478 119 G N 1.472 110.113 108.800 -0.265 0.000 2.313 119 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.250 119 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.250 119 G C 0.057 174.858 174.900 -0.166 0.000 1.281 119 G CA -0.377 44.690 45.100 -0.055 0.000 0.917 119 G HN 0.342 nan 8.290 nan 0.000 0.501 120 N N 1.665 120.413 118.700 0.081 0.000 2.514 120 N HA 0.094 4.834 4.740 -0.000 0.000 0.277 120 N C 0.145 175.757 175.510 0.169 0.000 1.126 120 N CA -0.372 52.721 53.050 0.071 0.000 0.978 120 N CB 1.753 40.326 38.487 0.143 0.000 1.106 120 N HN 0.099 nan 8.380 nan 0.000 0.461 121 V N 2.586 122.566 119.914 0.109 0.000 3.085 121 V HA 0.059 4.179 4.120 -0.000 0.000 0.345 121 V C 0.292 176.561 176.094 0.291 0.000 1.397 121 V CA 0.064 62.558 62.300 0.323 0.000 1.165 121 V CB -0.089 31.715 31.823 -0.031 0.000 1.153 121 V HN 0.847 nan 8.190 nan 0.000 0.495 122 T N -1.265 113.371 114.554 0.137 0.000 2.945 122 T HA 0.636 4.986 4.350 -0.000 0.000 0.286 122 T C -2.793 171.827 174.700 -0.134 0.000 1.025 122 T CA -2.268 59.756 62.100 -0.127 0.000 1.039 122 T CB 1.971 70.768 68.868 -0.118 0.000 1.068 122 T HN -0.017 nan 8.240 nan 0.000 0.497 123 P HA 0.250 nan 4.420 nan 0.000 0.271 123 P C -2.453 174.684 177.300 -0.273 0.000 1.233 123 P CA -1.251 61.690 63.100 -0.266 0.000 0.789 123 P CB -0.546 31.020 31.700 -0.224 0.000 0.951 124 P HA 0.031 nan 4.420 nan 0.000 0.272 124 P C 0.525 177.636 177.300 -0.315 0.000 1.223 124 P CA -0.013 62.860 63.100 -0.377 0.000 0.784 124 P CB 0.730 32.126 31.700 -0.507 0.000 0.923 125 K N 0.617 120.932 120.400 -0.142 0.000 2.148 125 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 125 K C 0.286 176.858 176.600 -0.047 0.000 1.050 125 K CA 1.473 57.720 56.287 -0.068 0.000 0.942 125 K CB -0.260 32.233 32.500 -0.011 0.000 0.724 125 K HN 0.542 nan 8.250 nan 0.000 0.446 126 D N -1.422 118.940 120.400 -0.062 0.000 2.686 126 D HA 0.088 4.728 4.640 -0.000 0.000 0.249 126 D C 0.207 176.504 176.300 -0.005 0.000 1.260 126 D CA -0.454 53.556 54.000 0.017 0.000 0.910 126 D CB 0.507 41.344 40.800 0.062 0.000 1.323 126 D HN -0.156 nan 8.370 nan 0.000 0.561 127 Y N 2.228 122.579 120.300 0.085 0.000 2.352 127 Y HA -0.110 4.440 4.550 -0.000 0.000 0.292 127 Y C 1.919 177.918 175.900 0.164 0.000 1.136 127 Y CA 0.861 59.033 58.100 0.119 0.000 1.227 127 Y CB 0.096 38.595 38.460 0.065 0.000 0.991 127 Y HN 0.398 nan 8.280 nan 0.000 0.545 128 N N -0.058 118.787 118.700 0.242 0.000 2.270 128 N HA -0.109 4.631 4.740 -0.000 0.000 0.181 128 N C 1.539 177.138 175.510 0.149 0.000 1.016 128 N CA 1.077 54.231 53.050 0.173 0.000 0.870 128 N CB -0.158 38.406 38.487 0.129 0.000 0.979 128 N HN 0.332 nan 8.380 nan 0.000 0.431 129 K N -0.200 120.288 120.400 0.147 0.000 2.057 129 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 129 K C 1.878 178.546 176.600 0.114 0.000 1.050 129 K CA 0.646 57.019 56.287 0.142 0.000 0.935 129 K CB -0.159 32.419 32.500 0.129 0.000 0.715 129 K HN 0.311 nan 8.250 nan 0.000 0.439 130 W N 2.861 124.124 121.300 -0.062 0.000 2.315 130 W HA -0.266 4.394 4.660 -0.000 0.000 0.323 130 W C 2.013 178.501 176.519 -0.051 0.000 1.233 130 W CA 1.670 58.965 57.345 -0.083 0.000 1.267 130 W CB -0.334 29.062 29.460 -0.106 0.000 1.160 130 W HN 0.058 nan 8.180 nan 0.000 0.474 131 R N 0.699 121.270 120.500 0.117 0.000 2.096 131 R HA -0.209 4.131 4.340 -0.000 0.000 0.240 131 R C 1.691 177.916 176.300 -0.125 0.000 1.139 131 R CA 2.436 58.522 56.100 -0.024 0.000 0.952 131 R CB -0.780 29.567 30.300 0.078 0.000 0.854 131 R HN 0.046 nan 8.270 nan 0.000 0.436 132 D N 0.900 121.280 120.400 -0.033 0.000 2.178 132 D HA -0.172 4.468 4.640 -0.000 0.000 0.201 132 D C 1.924 178.155 176.300 -0.116 0.000 0.980 132 D CA 0.668 54.655 54.000 -0.021 0.000 0.842 132 D CB -0.247 40.619 40.800 0.109 0.000 0.948 132 D HN 0.284 nan 8.370 nan 0.000 0.472 133 L N 0.553 121.689 121.223 -0.144 0.000 1.989 133 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 133 L C 2.095 178.703 176.870 -0.437 0.000 1.071 133 L CA 1.031 55.721 54.840 -0.249 0.000 0.749 133 L CB -0.092 41.780 42.059 -0.312 0.000 0.890 133 L HN -0.028 nan 8.230 nan 0.000 0.431 134 I N -0.636 119.588 120.570 -0.576 0.000 2.163 134 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 134 I C 2.639 178.520 176.117 -0.394 0.000 1.085 134 I CA 1.247 62.162 61.300 -0.642 0.000 1.347 134 I CB -1.272 36.249 38.000 -0.797 0.000 1.044 134 I HN 0.131 nan 8.210 nan 0.000 0.408 135 V N 1.304 121.033 119.914 -0.308 0.000 2.407 135 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 135 V C 2.801 178.759 176.094 -0.227 0.000 1.055 135 V CA 1.737 63.907 62.300 -0.217 0.000 1.049 135 V CB -0.984 30.746 31.823 -0.155 0.000 0.662 135 V HN 0.461 nan 8.190 nan 0.000 0.455 136 A N -0.379 122.245 122.820 -0.327 0.000 1.898 136 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 136 A C 2.381 179.817 177.584 -0.247 0.000 1.181 136 A CA 1.988 53.791 52.037 -0.391 0.000 0.620 136 A CB -0.603 17.747 19.000 -1.083 0.000 0.819 136 A HN 0.328 nan 8.150 nan 0.000 0.442 137 V N -0.295 119.477 119.914 -0.236 0.000 2.261 137 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 137 V C 2.600 178.436 176.094 -0.429 0.000 1.047 137 V CA 2.045 64.206 62.300 -0.230 0.000 1.015 137 V CB -0.890 30.893 31.823 -0.065 0.000 0.642 137 V HN 0.369 nan 8.190 nan 0.000 0.446 138 V N 0.230 120.060 119.914 -0.139 0.000 2.287 138 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 138 V C 2.563 178.639 176.094 -0.031 0.000 1.053 138 V CA 2.413 64.733 62.300 0.034 0.000 1.027 138 V CB -0.954 30.880 31.823 0.019 0.000 0.646 138 V HN 0.580 nan 8.190 nan 0.000 0.447 139 S N -1.289 114.346 115.700 -0.109 0.000 2.383 139 S HA -0.280 4.190 4.470 -0.000 0.000 0.229 139 S C 1.947 176.454 174.600 -0.156 0.000 1.030 139 S CA 1.688 59.822 58.200 -0.111 0.000 1.002 139 S CB -0.603 62.533 63.200 -0.107 0.000 0.829 139 S HN 0.713 nan 8.310 nan 0.000 0.467 140 H N 0.508 119.354 119.070 -0.373 0.000 2.319 140 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 140 H C 1.887 177.079 175.328 -0.226 0.000 1.092 140 H CA 1.728 57.452 56.048 -0.540 0.000 1.302 140 H CB -0.383 28.576 29.762 -1.338 0.000 1.373 140 H HN 0.491 nan 8.280 nan 0.000 0.497 141 F N 0.416 120.320 119.950 -0.076 0.000 2.126 141 F HA -0.237 4.290 4.527 -0.000 0.000 0.299 141 F C 2.816 178.593 175.800 -0.039 0.000 1.096 141 F CA 0.636 58.708 58.000 0.119 0.000 1.255 141 F CB -0.154 39.008 39.000 0.271 0.000 0.997 141 F HN 0.109 nan 8.300 nan 0.000 0.479 142 I N 0.204 120.821 120.570 0.078 0.000 2.179 142 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 142 I C 2.137 178.183 176.117 -0.120 0.000 1.088 142 I CA 1.505 62.779 61.300 -0.044 0.000 1.357 142 I CB -0.478 37.492 38.000 -0.049 0.000 1.051 142 I HN 0.131 nan 8.210 nan 0.000 0.409 143 E N 0.317 120.398 120.200 -0.198 0.000 2.077 143 E HA -0.268 4.081 4.350 -0.000 0.000 0.193 143 E C 2.290 178.700 176.600 -0.317 0.000 0.989 143 E CA 1.178 57.432 56.400 -0.242 0.000 0.800 143 E CB -0.152 29.379 29.700 -0.283 0.000 0.746 143 E HN 0.362 nan 8.360 nan 0.000 0.452 144 R N -0.395 119.809 120.500 -0.494 0.000 2.093 144 R HA -0.078 4.262 4.340 -0.000 0.000 0.224 144 R C 1.214 177.115 176.300 -0.665 0.000 1.101 144 R CA 1.194 56.892 56.100 -0.671 0.000 0.979 144 R CB 0.140 29.856 30.300 -0.974 0.000 0.877 144 R HN 0.238 nan 8.270 nan 0.000 0.441 145 Y N -1.068 119.193 120.300 -0.065 0.000 2.444 145 Y HA 0.385 4.935 4.550 -0.000 0.000 0.252 145 Y C 0.662 176.511 175.900 -0.086 0.000 1.091 145 Y CA 0.132 58.208 58.100 -0.041 0.000 1.276 145 Y CB 1.358 39.817 38.460 -0.001 0.000 1.170 145 Y HN 0.284 nan 8.280 nan 0.000 0.517 146 G N 0.859 109.649 108.800 -0.017 0.000 2.719 146 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.686 146 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.686 146 G C 0.045 174.898 174.900 -0.077 0.000 1.201 146 G CA -0.268 44.806 45.100 -0.044 0.000 0.768 146 G HN 0.127 nan 8.290 nan 0.000 0.629 147 I N 0.675 121.204 120.570 -0.069 0.000 2.226 147 I HA -0.036 4.134 4.170 -0.000 0.000 0.245 147 I C 2.346 178.413 176.117 -0.084 0.000 1.100 147 I CA 2.588 63.844 61.300 -0.073 0.000 1.374 147 I CB -0.337 37.643 38.000 -0.033 0.000 1.057 147 I HN 0.844 nan 8.210 nan 0.000 0.413 148 E N -0.068 120.095 120.200 -0.063 0.000 2.085 148 E HA -0.329 4.021 4.350 -0.000 0.000 0.194 148 E C 2.092 178.643 176.600 -0.082 0.000 0.994 148 E CA 1.608 57.975 56.400 -0.055 0.000 0.801 148 E CB -0.083 29.597 29.700 -0.033 0.000 0.743 148 E HN 0.568 nan 8.360 nan 0.000 0.453 149 E N 0.072 120.206 120.200 -0.109 0.000 2.028 149 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 149 E C 2.011 178.311 176.600 -0.501 0.000 0.988 149 E CA 1.580 57.891 56.400 -0.148 0.000 0.799 149 E CB -0.287 29.385 29.700 -0.046 0.000 0.755 149 E HN 0.146 nan 8.360 nan 0.000 0.447 150 V N 1.200 120.690 119.914 -0.706 0.000 2.469 150 V HA -0.233 3.887 4.120 -0.000 0.000 0.251 150 V C 2.373 178.207 176.094 -0.433 0.000 1.064 150 V CA 2.122 63.782 62.300 -1.067 0.000 1.066 150 V CB -0.623 30.810 31.823 -0.650 0.000 0.667 150 V HN 0.247 nan 8.190 nan 0.000 0.461 151 R N 0.552 120.947 120.500 -0.175 0.000 2.193 151 R HA -0.135 4.205 4.340 -0.000 0.000 0.229 151 R C 2.292 178.634 176.300 0.070 0.000 1.110 151 R CA 1.733 57.841 56.100 0.012 0.000 0.988 151 R CB -0.524 29.792 30.300 0.027 0.000 0.871 151 R HN 0.764 nan 8.270 nan 0.000 0.458 152 T N -2.847 111.734 114.554 0.045 0.000 3.113 152 T HA -0.011 4.339 4.350 -0.000 0.000 0.256 152 T C 0.325 175.252 174.700 0.379 0.000 1.131 152 T CA -0.164 62.059 62.100 0.204 0.000 1.074 152 T CB 0.027 69.020 68.868 0.209 0.000 0.944 152 T HN 0.050 nan 8.240 nan 0.000 0.516 153 W N 0.967 122.260 121.300 -0.011 0.000 2.213 153 W HA 0.736 5.397 4.660 0.000 0.000 0.356 153 W C -0.105 176.161 176.519 -0.421 0.000 1.273 153 W CA -2.127 55.079 57.345 -0.233 0.000 1.391 153 W CB 0.104 29.317 29.460 -0.411 0.000 1.187 153 W HN 0.048 nan 8.180 nan 0.000 0.649 154 L N 0.779 121.644 121.223 -0.597 0.000 2.370 154 L HA 0.536 4.876 4.340 -0.000 0.000 0.266 154 L C -1.128 175.299 176.870 -0.739 0.000 1.002 154 L CA -0.682 53.733 54.840 -0.710 0.000 0.818 154 L CB 1.567 42.675 42.059 -1.586 0.000 1.325 154 L HN 0.050 nan 8.230 nan 0.000 0.418 155 F N 0.730 120.735 119.950 0.091 0.000 2.496 155 F HA 0.421 4.948 4.527 0.000 0.000 0.341 155 F C 0.093 176.170 175.800 0.463 0.000 1.134 155 F CA -0.527 57.604 58.000 0.219 0.000 0.968 155 F CB 1.615 40.784 39.000 0.282 0.000 1.205 155 F HN 0.370 nan 8.300 nan 0.000 0.436 156 E N 2.209 122.786 120.200 0.629 0.000 2.214 156 E HA 0.656 5.006 4.350 -0.000 0.000 0.274 156 E C -1.383 175.570 176.600 0.589 0.000 0.977 156 E CA -0.746 56.058 56.400 0.673 0.000 0.827 156 E CB 1.908 32.019 29.700 0.686 0.000 1.130 156 E HN 0.384 nan 8.360 nan 0.000 0.394 157 V N 6.211 126.499 119.914 0.624 0.000 2.311 157 V HA 0.224 4.344 4.120 -0.000 0.000 0.275 157 V C -0.004 176.535 176.094 0.742 0.000 1.022 157 V CA -0.423 62.306 62.300 0.715 0.000 0.830 157 V CB -0.240 31.986 31.823 0.672 0.000 1.012 157 V HN 0.792 nan 8.190 nan 0.000 0.452 158 W N 3.651 125.189 121.300 0.397 0.000 3.344 158 W HA -0.250 4.410 4.660 -0.000 0.000 0.320 158 W C -0.369 176.230 176.519 0.135 0.000 0.081 158 W CA 0.794 58.297 57.345 0.263 0.000 0.455 158 W CB -0.229 29.374 29.460 0.238 0.000 2.258 158 W HN 0.743 nan 8.180 nan 0.000 0.425 159 N N 0.698 119.427 118.700 0.048 0.000 2.455 159 N HA 0.225 4.965 4.740 -0.000 0.000 0.285 159 N C -1.016 174.386 175.510 -0.180 0.000 1.080 159 N CA 0.315 53.306 53.050 -0.099 0.000 0.932 159 N CB 0.948 39.292 38.487 -0.239 0.000 1.610 159 N HN 0.337 nan 8.380 nan 0.000 0.493 160 E N 1.398 121.371 120.200 -0.379 0.000 2.199 160 E HA -0.174 4.176 4.350 -0.000 0.000 0.208 160 E C -1.727 174.730 176.600 -0.239 0.000 1.310 160 E CA 0.335 56.470 56.400 -0.442 0.000 0.709 160 E CB -0.636 28.709 29.700 -0.592 0.000 1.127 160 E HN 0.608 nan 8.360 nan 0.000 0.354 161 P HA -0.180 nan 4.420 nan 0.000 0.234 161 P C 0.815 177.824 177.300 -0.486 0.000 1.167 161 P CA 1.079 63.978 63.100 -0.333 0.000 0.763 161 P CB 0.049 31.191 31.700 -0.930 0.000 0.835 162 N N 0.105 118.201 118.700 -1.006 0.000 2.467 162 N HA -0.034 4.706 4.740 -0.000 0.000 0.184 162 N C 0.411 175.697 175.510 -0.373 0.000 1.106 162 N CA 0.297 52.639 53.050 -1.181 0.000 0.892 162 N CB -0.512 36.939 38.487 -1.726 0.000 0.969 162 N HN 0.235 nan 8.380 nan 0.000 0.454 163 L N 0.779 121.907 121.223 -0.159 0.000 2.296 163 L HA 0.279 4.619 4.340 -0.000 0.000 0.286 163 L C 1.547 178.470 176.870 0.088 0.000 1.023 163 L CA -0.603 54.240 54.840 0.005 0.000 0.812 163 L CB 2.436 44.562 42.059 0.112 0.000 1.223 163 L HN -0.255 nan 8.230 nan 0.000 0.421 164 V N 3.838 123.771 119.914 0.031 0.000 2.370 164 V HA -0.334 3.786 4.120 -0.000 0.000 0.252 164 V C 2.019 178.073 176.094 -0.067 0.000 1.068 164 V CA 2.372 64.671 62.300 -0.001 0.000 1.061 164 V CB -0.434 31.372 31.823 -0.027 0.000 0.656 164 V HN 0.887 nan 8.190 nan 0.000 0.455 165 N N -1.322 117.291 118.700 -0.145 0.000 2.453 165 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 165 N C 1.500 176.652 175.510 -0.596 0.000 1.041 165 N CA 1.326 54.136 53.050 -0.401 0.000 0.900 165 N CB -0.146 37.996 38.487 -0.575 0.000 0.961 165 N HN 0.517 nan 8.380 nan 0.000 0.443 166 F N -1.079 118.820 119.950 -0.085 0.000 2.731 166 F HA 0.276 4.803 4.527 -0.000 0.000 0.298 166 F C 0.525 176.571 175.800 0.409 0.000 1.106 166 F CA -0.267 57.724 58.000 -0.015 0.000 1.329 166 F CB 0.733 39.733 39.000 -0.001 0.000 1.100 166 F HN 0.063 nan 8.300 nan 0.000 0.592 167 W N 1.739 123.152 121.300 0.188 0.000 3.775 167 W HA 0.196 4.856 4.660 -0.000 0.000 0.315 167 W C -1.159 175.382 176.519 0.037 0.000 1.169 167 W CA -1.313 56.142 57.345 0.184 0.000 1.266 167 W CB 0.805 30.366 29.460 0.169 0.000 1.269 167 W HN -0.388 nan 8.180 nan 0.000 0.471 168 K N 5.935 126.055 120.400 -0.466 0.000 2.441 168 K HA -0.138 4.182 4.320 -0.000 0.000 0.273 168 K C 0.497 176.838 176.600 -0.433 0.000 1.090 168 K CA 1.907 57.916 56.287 -0.463 0.000 1.158 168 K CB 0.258 32.441 32.500 -0.528 0.000 0.847 168 K HN 0.537 nan 8.250 nan 0.000 0.483 169 D N 2.465 122.742 120.400 -0.206 0.000 3.046 169 D HA -0.260 4.380 4.640 -0.000 0.000 0.210 169 D C 0.071 176.366 176.300 -0.008 0.000 1.124 169 D CA 1.227 55.158 54.000 -0.115 0.000 0.986 169 D CB -1.507 39.209 40.800 -0.140 0.000 1.118 169 D HN 0.915 nan 8.370 nan 0.000 0.416 170 A N -0.099 122.763 122.820 0.069 0.000 2.640 170 A HA -0.306 4.014 4.320 -0.000 0.000 0.300 170 A C 0.374 178.224 177.584 0.443 0.000 1.499 170 A CA 1.179 53.410 52.037 0.323 0.000 0.759 170 A CB -1.606 17.526 19.000 0.220 0.000 1.048 170 A HN 0.437 nan 8.150 nan 0.000 0.450 171 N N 0.364 119.245 118.700 0.301 0.000 2.402 171 N HA 0.131 4.871 4.740 -0.000 0.000 0.252 171 N C 0.991 176.692 175.510 0.318 0.000 1.118 171 N CA 0.516 53.678 53.050 0.187 0.000 0.945 171 N CB 0.737 39.193 38.487 -0.052 0.000 1.147 171 N HN 0.653 nan 8.380 nan 0.000 0.495 172 K N 2.981 123.339 120.400 -0.070 0.000 2.026 172 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 172 K C 1.092 177.194 176.600 -0.830 0.000 1.048 172 K CA 1.142 56.971 56.287 -0.763 0.000 0.929 172 K CB 0.249 32.021 32.500 -1.212 0.000 0.713 172 K HN 0.499 nan 8.250 nan 0.000 0.439 173 Q N 0.643 120.163 119.800 -0.466 0.000 2.119 173 Q HA -0.173 4.167 4.340 -0.000 0.000 0.201 173 Q C 1.950 177.865 176.000 -0.141 0.000 0.972 173 Q CA 1.389 57.011 55.803 -0.300 0.000 0.847 173 Q CB -0.203 28.470 28.738 -0.109 0.000 0.903 173 Q HN 0.349 nan 8.270 nan 0.000 0.433 174 E N 0.069 120.273 120.200 0.006 0.000 2.077 174 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 174 E C 1.770 178.546 176.600 0.293 0.000 0.989 174 E CA 0.930 57.438 56.400 0.180 0.000 0.800 174 E CB -0.363 29.472 29.700 0.224 0.000 0.746 174 E HN 0.393 nan 8.360 nan 0.000 0.452 175 Y N -0.130 120.279 120.300 0.182 0.000 2.181 175 Y HA -0.204 4.346 4.550 0.000 0.000 0.288 175 Y C 1.817 177.670 175.900 -0.080 0.000 1.146 175 Y CA 1.897 59.856 58.100 -0.235 0.000 1.164 175 Y CB -0.518 37.727 38.460 -0.358 0.000 0.982 175 Y HN 0.110 nan 8.280 nan 0.000 0.515 176 F N 0.362 120.102 119.950 -0.350 0.000 2.161 176 F HA -0.253 4.274 4.527 -0.000 0.000 0.300 176 F C 2.639 178.127 175.800 -0.520 0.000 1.089 176 F CA 1.264 58.816 58.000 -0.747 0.000 1.282 176 F CB -0.276 37.801 39.000 -1.538 0.000 1.010 176 F HN 0.013 nan 8.300 nan 0.000 0.485 177 K N 1.062 121.378 120.400 -0.140 0.000 2.026 177 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 177 K C 2.167 178.688 176.600 -0.132 0.000 1.048 177 K CA 0.929 57.159 56.287 -0.094 0.000 0.929 177 K CB -0.340 32.043 32.500 -0.196 0.000 0.713 177 K HN 0.271 nan 8.250 nan 0.000 0.439 178 L N 0.802 121.933 121.223 -0.155 0.000 2.046 178 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 178 L C 2.299 179.101 176.870 -0.113 0.000 1.077 178 L CA 1.698 56.464 54.840 -0.125 0.000 0.747 178 L CB -0.600 41.238 42.059 -0.370 0.000 0.896 178 L HN 0.296 nan 8.230 nan 0.000 0.432 179 Y N 1.257 121.343 120.300 -0.356 0.000 2.070 179 Y HA -0.357 4.193 4.550 -0.000 0.000 0.280 179 Y C 2.730 178.662 175.900 0.053 0.000 1.148 179 Y CA 2.455 60.455 58.100 -0.166 0.000 1.125 179 Y CB -0.364 37.968 38.460 -0.214 0.000 0.975 179 Y HN 0.313 nan 8.280 nan 0.000 0.492 180 E N -0.556 119.723 120.200 0.131 0.000 2.070 180 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 180 E C 2.104 178.694 176.600 -0.017 0.000 1.004 180 E CA 2.060 58.526 56.400 0.110 0.000 0.805 180 E CB -0.293 29.581 29.700 0.290 0.000 0.744 180 E HN 0.391 nan 8.360 nan 0.000 0.451 181 V N 0.621 120.552 119.914 0.028 0.000 2.343 181 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 181 V C 2.364 178.505 176.094 0.079 0.000 1.051 181 V CA 2.196 64.548 62.300 0.086 0.000 1.036 181 V CB -0.690 31.263 31.823 0.216 0.000 0.654 181 V HN 0.404 nan 8.190 nan 0.000 0.451 182 T N 0.266 114.874 114.554 0.090 0.000 2.770 182 T HA -0.073 4.277 4.350 -0.000 0.000 0.263 182 T C 2.112 176.728 174.700 -0.140 0.000 1.039 182 T CA 1.420 63.538 62.100 0.031 0.000 1.142 182 T CB -0.454 68.531 68.868 0.195 0.000 0.868 182 T HN 0.543 nan 8.240 nan 0.000 0.435 183 A N 2.195 124.835 122.820 -0.300 0.000 1.892 183 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 183 A C 2.398 179.885 177.584 -0.162 0.000 1.188 183 A CA 1.587 53.442 52.037 -0.304 0.000 0.631 183 A CB -0.567 18.098 19.000 -0.557 0.000 0.822 183 A HN 0.387 nan 8.150 nan 0.000 0.447 184 R N -0.756 119.667 120.500 -0.128 0.000 2.081 184 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 184 R C 2.517 178.766 176.300 -0.085 0.000 1.131 184 R CA 1.160 57.212 56.100 -0.081 0.000 0.960 184 R CB -0.529 29.742 30.300 -0.049 0.000 0.856 184 R HN 0.540 nan 8.270 nan 0.000 0.436 185 A N 0.796 123.559 122.820 -0.095 0.000 1.883 185 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 185 A C 2.386 179.876 177.584 -0.157 0.000 1.186 185 A CA 1.590 53.552 52.037 -0.125 0.000 0.624 185 A CB -0.602 18.297 19.000 -0.168 0.000 0.822 185 A HN 0.119 nan 8.150 nan 0.000 0.444 186 V N 0.343 120.152 119.914 -0.175 0.000 2.307 186 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 186 V C 2.500 178.498 176.094 -0.159 0.000 1.045 186 V CA 2.096 64.278 62.300 -0.196 0.000 1.024 186 V CB -0.590 31.114 31.823 -0.199 0.000 0.651 186 V HN 0.407 nan 8.190 nan 0.000 0.449 187 K N 0.961 121.288 120.400 -0.121 0.000 2.147 187 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 187 K C 2.439 178.980 176.600 -0.098 0.000 1.049 187 K CA 1.706 57.931 56.287 -0.102 0.000 0.936 187 K CB -0.807 31.644 32.500 -0.082 0.000 0.722 187 K HN 0.684 nan 8.250 nan 0.000 0.446 188 S N 0.224 115.869 115.700 -0.092 0.000 2.442 188 S HA -0.076 4.394 4.470 -0.000 0.000 0.236 188 S C 2.104 176.657 174.600 -0.078 0.000 1.007 188 S CA 1.055 59.209 58.200 -0.077 0.000 0.965 188 S CB -0.390 62.770 63.200 -0.068 0.000 0.773 188 S HN -0.007 nan 8.310 nan 0.000 0.504 189 V N 1.101 120.959 119.914 -0.094 0.000 2.379 189 V HA 0.201 4.321 4.120 -0.000 0.000 0.243 189 V C 0.654 176.704 176.094 -0.073 0.000 1.035 189 V CA 1.402 63.651 62.300 -0.085 0.000 1.035 189 V CB -0.669 31.093 31.823 -0.101 0.000 0.673 189 V HN 0.626 nan 8.190 nan 0.000 0.457 190 D N -1.478 118.871 120.400 -0.084 0.000 2.937 190 D HA 0.292 4.932 4.640 -0.000 0.000 0.215 190 D C -2.343 173.890 176.300 -0.111 0.000 1.274 190 D CA -1.156 52.802 54.000 -0.070 0.000 0.869 190 D CB 2.394 43.182 40.800 -0.020 0.000 1.675 190 D HN -0.076 nan 8.370 nan 0.000 0.538 191 P HA -0.046 nan 4.420 nan 0.000 0.229 191 P C 0.347 177.458 177.300 -0.315 0.000 1.160 191 P CA 0.908 63.836 63.100 -0.287 0.000 0.777 191 P CB 0.110 31.584 31.700 -0.376 0.000 0.814 192 H N -0.965 118.114 119.070 0.015 0.000 2.539 192 H HA 0.203 4.759 4.556 -0.000 0.000 0.267 192 H C 0.856 176.224 175.328 0.066 0.000 0.982 192 H CA -0.353 55.718 56.048 0.039 0.000 1.146 192 H CB -0.472 29.310 29.762 0.032 0.000 1.382 192 H HN 0.063 nan 8.280 nan 0.000 0.577 193 L N 2.251 123.536 121.223 0.104 0.000 2.455 193 L HA 0.033 4.373 4.340 -0.000 0.000 0.272 193 L C 0.120 177.106 176.870 0.195 0.000 1.174 193 L CA -0.198 54.723 54.840 0.135 0.000 0.869 193 L CB 0.512 42.528 42.059 -0.072 0.000 1.130 193 L HN 0.235 nan 8.230 nan 0.000 0.474 194 Q N 3.607 123.614 119.800 0.345 0.000 2.294 194 Q HA 0.360 4.700 4.340 -0.000 0.000 0.257 194 Q C -0.433 175.875 176.000 0.513 0.000 0.955 194 Q CA -0.150 55.880 55.803 0.378 0.000 0.936 194 Q CB 2.370 31.329 28.738 0.368 0.000 1.188 194 Q HN 0.457 nan 8.270 nan 0.000 0.420 195 V N 1.438 121.542 119.914 0.316 0.000 2.769 195 V HA 0.953 5.073 4.120 -0.000 0.000 0.312 195 V C -0.404 175.602 176.094 -0.148 0.000 1.061 195 V CA -0.187 62.260 62.300 0.245 0.000 0.931 195 V CB 1.973 33.903 31.823 0.178 0.000 1.010 195 V HN 0.882 nan 8.190 nan 0.000 0.433 196 G N 2.696 111.277 108.800 -0.364 0.000 2.606 196 G HA2 0.849 4.809 3.960 -0.000 0.000 0.300 196 G HA3 0.849 4.809 3.960 -0.000 0.000 0.300 196 G C -0.500 174.375 174.900 -0.041 0.000 1.360 196 G CA -0.046 44.602 45.100 -0.752 0.000 0.783 196 G HN 1.577 nan 8.290 nan 0.000 0.484 197 G N -1.671 107.066 108.800 -0.104 0.000 2.428 197 G HA2 0.638 4.598 3.960 -0.000 0.000 0.304 197 G HA3 0.638 4.598 3.960 -0.000 0.000 0.304 197 G C -2.798 171.786 174.900 -0.528 0.000 1.303 197 G CA 0.062 45.048 45.100 -0.190 0.000 0.825 197 G HN 0.513 nan 8.290 nan 0.000 0.484 198 P HA 0.305 nan 4.420 nan 0.000 0.261 198 P C 0.776 177.831 177.300 -0.409 0.000 1.268 198 P CA 1.055 63.758 63.100 -0.660 0.000 0.833 198 P CB 0.904 32.203 31.700 -0.667 0.000 1.231 199 A N 0.548 123.195 122.820 -0.288 0.000 2.791 199 A HA -0.186 4.134 4.320 -0.000 0.000 0.292 199 A C 0.431 177.595 177.584 -0.699 0.000 1.487 199 A CA 0.708 52.511 52.037 -0.390 0.000 0.760 199 A CB -2.729 16.174 19.000 -0.161 0.000 1.031 199 A HN 0.510 nan 8.150 nan 0.000 0.503 200 I N -2.343 117.868 120.570 -0.599 0.000 2.677 200 I HA 0.678 4.848 4.170 -0.000 0.000 0.305 200 I C 1.120 176.932 176.117 -0.508 0.000 0.988 200 I CA -0.857 60.093 61.300 -0.582 0.000 1.260 200 I CB 1.137 38.845 38.000 -0.486 0.000 1.410 200 I HN 0.719 nan 8.210 nan 0.000 0.523 201 C N 2.781 121.860 119.300 -0.368 0.000 2.480 201 C HA 0.800 5.260 4.460 -0.000 0.000 0.344 201 C C 1.227 176.164 174.990 -0.088 0.000 1.380 201 C CA -0.172 58.762 59.018 -0.139 0.000 2.386 201 C CB -0.114 27.593 27.740 -0.055 0.000 2.210 201 C HN 1.076 nan 8.230 nan 0.000 0.640 202 G N -0.843 107.972 108.800 0.026 0.000 2.699 202 G HA2 0.462 4.422 3.960 -0.000 0.000 0.246 202 G HA3 0.462 4.422 3.960 -0.000 0.000 0.246 202 G C 1.127 176.036 174.900 0.015 0.000 1.219 202 G CA 0.279 45.405 45.100 0.044 0.000 0.866 202 G HN 2.569 nan 8.290 nan 0.000 0.572 203 G N -1.616 107.205 108.800 0.037 0.000 2.179 203 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.260 203 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.260 203 G C 0.624 175.543 174.900 0.031 0.000 0.977 203 G CA 1.068 46.191 45.100 0.038 0.000 0.641 203 G HN 2.132 nan 8.290 nan 0.000 0.533 204 S N -0.757 114.954 115.700 0.019 0.000 2.539 204 S HA 0.431 4.901 4.470 -0.000 0.000 0.185 204 S C 0.110 174.803 174.600 0.155 0.000 1.181 204 S CA 0.222 58.471 58.200 0.080 0.000 1.216 204 S CB 0.888 64.104 63.200 0.027 0.000 1.476 204 S HN -0.007 nan 8.310 nan 0.000 0.395 205 D N 2.203 122.682 120.400 0.132 0.000 2.378 205 D HA -0.012 4.628 4.640 -0.000 0.000 0.227 205 D C 1.538 177.957 176.300 0.197 0.000 1.012 205 D CA 0.495 54.583 54.000 0.146 0.000 0.905 205 D CB 0.259 41.120 40.800 0.101 0.000 0.895 205 D HN 0.703 nan 8.370 nan 0.000 0.532 206 E N -0.451 119.884 120.200 0.224 0.000 2.150 206 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 206 E C 1.758 178.514 176.600 0.262 0.000 0.985 206 E CA 0.382 56.907 56.400 0.208 0.000 0.814 206 E CB -0.133 29.661 29.700 0.157 0.000 0.752 206 E HN 0.394 nan 8.360 nan 0.000 0.466 207 W N 1.483 122.852 121.300 0.114 0.000 2.290 207 W HA -0.213 4.447 4.660 -0.000 0.000 0.318 207 W C 2.203 178.849 176.519 0.211 0.000 1.248 207 W CA 1.078 58.514 57.345 0.153 0.000 1.263 207 W CB -0.673 28.805 29.460 0.030 0.000 1.147 207 W HN 0.028 nan 8.180 nan 0.000 0.494 208 I N -0.659 120.127 120.570 0.361 0.000 2.127 208 I HA -0.377 3.793 4.170 -0.000 0.000 0.241 208 I C 2.725 179.014 176.117 0.285 0.000 1.075 208 I CA 2.091 63.565 61.300 0.290 0.000 1.334 208 I CB -1.113 36.998 38.000 0.185 0.000 1.040 208 I HN 0.057 nan 8.210 nan 0.000 0.405 209 T N -0.638 114.059 114.554 0.237 0.000 2.788 209 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 209 T C 1.560 176.425 174.700 0.275 0.000 1.044 209 T CA 1.910 64.147 62.100 0.228 0.000 1.139 209 T CB -0.299 68.693 68.868 0.207 0.000 0.867 209 T HN 0.236 nan 8.240 nan 0.000 0.454 210 D N 0.176 120.736 120.400 0.266 0.000 2.144 210 D HA -0.003 4.637 4.640 -0.000 0.000 0.200 210 D C 1.600 177.975 176.300 0.125 0.000 0.978 210 D CA 0.799 54.956 54.000 0.262 0.000 0.833 210 D CB -0.633 40.336 40.800 0.283 0.000 0.961 210 D HN 0.502 nan 8.370 nan 0.000 0.470 211 F N 1.508 121.446 119.950 -0.019 0.000 2.102 211 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 211 F C 2.029 177.672 175.800 -0.262 0.000 1.105 211 F CA 1.212 58.977 58.000 -0.392 0.000 1.239 211 F CB -0.410 38.574 39.000 -0.026 0.000 0.991 211 F HN -0.121 nan 8.300 nan 0.000 0.474 212 L N -0.728 120.375 121.223 -0.200 0.000 2.093 212 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 212 L C 2.468 179.275 176.870 -0.105 0.000 1.085 212 L CA 1.575 56.276 54.840 -0.232 0.000 0.755 212 L CB -1.038 41.021 42.059 0.001 0.000 0.904 212 L HN 0.214 nan 8.230 nan 0.000 0.435 213 H N -1.275 117.782 119.070 -0.021 0.000 2.353 213 H HA -0.229 4.327 4.556 -0.000 0.000 0.300 213 H C 1.951 177.236 175.328 -0.072 0.000 1.090 213 H CA 2.120 58.153 56.048 -0.025 0.000 1.327 213 H CB -0.070 29.693 29.762 0.002 0.000 1.383 213 H HN 0.216 nan 8.280 nan 0.000 0.508 214 F N 0.609 120.427 119.950 -0.221 0.000 2.069 214 F HA -0.317 4.210 4.527 0.000 0.000 0.298 214 F C 2.222 177.862 175.800 -0.266 0.000 1.113 214 F CA 1.523 59.327 58.000 -0.327 0.000 1.214 214 F CB -0.766 37.761 39.000 -0.788 0.000 0.978 214 F HN 0.179 nan 8.300 nan 0.000 0.474 215 C N 0.691 119.822 119.300 -0.281 0.000 2.413 215 C HA -0.126 4.334 4.460 -0.000 0.000 0.276 215 C C 3.178 178.129 174.990 -0.066 0.000 1.248 215 C CA 1.168 60.021 59.018 -0.276 0.000 1.742 215 C CB -1.901 25.539 27.740 -0.501 0.000 2.017 215 C HN 0.679 nan 8.230 nan 0.000 0.481 216 A N 0.314 123.187 122.820 0.088 0.000 1.877 216 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 216 A C 2.004 179.536 177.584 -0.087 0.000 1.186 216 A CA 2.103 54.147 52.037 0.011 0.000 0.620 216 A CB -0.619 18.290 19.000 -0.153 0.000 0.822 216 A HN 0.603 nan 8.150 nan 0.000 0.443 217 E N -0.142 119.986 120.200 -0.120 0.000 2.150 217 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 217 E C 1.775 178.258 176.600 -0.194 0.000 0.985 217 E CA 1.114 57.435 56.400 -0.132 0.000 0.814 217 E CB -0.010 29.623 29.700 -0.111 0.000 0.752 217 E HN 0.590 nan 8.360 nan 0.000 0.466 218 R N -0.346 119.966 120.500 -0.314 0.000 2.432 218 R HA 0.292 4.632 4.340 -0.000 0.000 0.260 218 R C -0.116 176.062 176.300 -0.203 0.000 0.935 218 R CA -0.244 55.668 56.100 -0.314 0.000 1.080 218 R CB 0.420 30.384 30.300 -0.561 0.000 1.155 218 R HN -0.025 nan 8.270 nan 0.000 0.531 219 R N 1.196 121.615 120.500 -0.134 0.000 3.225 219 R HA -0.130 4.210 4.340 -0.000 0.000 0.245 219 R C -0.585 175.684 176.300 -0.052 0.000 0.928 219 R CA 0.489 56.557 56.100 -0.053 0.000 0.632 219 R CB -1.714 28.562 30.300 -0.040 0.000 1.038 219 R HN 0.015 nan 8.270 nan 0.000 0.461 220 V N 1.803 121.671 119.914 -0.077 0.000 2.488 220 V HA 0.148 4.268 4.120 -0.000 0.000 0.277 220 V C -1.474 174.625 176.094 0.009 0.000 1.046 220 V CA -1.396 60.895 62.300 -0.016 0.000 0.986 220 V CB 1.142 32.999 31.823 0.055 0.000 0.989 220 V HN 0.145 nan 8.190 nan 0.000 0.475 221 P HA 0.174 nan 4.420 nan 0.000 0.263 221 P C -0.858 176.464 177.300 0.036 0.000 1.195 221 P CA 0.224 63.329 63.100 0.009 0.000 0.762 221 P CB 0.385 32.085 31.700 -0.001 0.000 0.799 222 V N 1.725 121.585 119.914 -0.091 0.000 2.623 222 V HA 0.342 4.462 4.120 -0.000 0.000 0.304 222 V C 0.145 176.167 176.094 -0.119 0.000 1.054 222 V CA -0.445 61.785 62.300 -0.117 0.000 0.882 222 V CB 2.349 33.885 31.823 -0.478 0.000 1.002 222 V HN 0.389 nan 8.190 nan 0.000 0.424 223 D N 2.556 122.930 120.400 -0.043 0.000 2.449 223 D HA 0.262 4.902 4.640 -0.000 0.000 0.210 223 D C -0.059 176.393 176.300 0.253 0.000 1.094 223 D CA 1.013 55.078 54.000 0.109 0.000 0.846 223 D CB 1.358 42.291 40.800 0.222 0.000 1.003 223 D HN 0.600 nan 8.370 nan 0.000 0.504 224 F N -1.353 118.696 119.950 0.165 0.000 2.773 224 F HA 0.544 5.071 4.527 -0.000 0.000 0.314 224 F C -1.564 174.356 175.800 0.200 0.000 1.160 224 F CA -1.390 56.713 58.000 0.172 0.000 0.920 224 F CB 0.906 40.081 39.000 0.292 0.000 1.323 224 F HN -0.400 nan 8.300 nan 0.000 0.457 225 V N 1.982 122.143 119.914 0.412 0.000 2.513 225 V HA 0.750 4.870 4.120 -0.000 0.000 0.299 225 V C -0.452 175.886 176.094 0.407 0.000 1.035 225 V CA -0.264 62.209 62.300 0.289 0.000 0.889 225 V CB 1.637 33.569 31.823 0.182 0.000 0.988 225 V HN 1.057 nan 8.190 nan 0.000 0.440 226 S N 4.498 120.374 115.700 0.294 0.000 2.566 226 S HA 0.972 5.442 4.470 -0.000 0.000 0.298 226 S C -0.783 173.832 174.600 0.025 0.000 1.083 226 S CA -0.956 57.392 58.200 0.247 0.000 0.978 226 S CB 2.658 66.085 63.200 0.380 0.000 1.073 226 S HN 0.827 nan 8.310 nan 0.000 0.491 227 R N 0.366 120.869 120.500 0.006 0.000 2.629 227 R HA 0.431 4.771 4.340 -0.000 0.000 0.266 227 R C -1.976 174.347 176.300 0.038 0.000 1.051 227 R CA -0.303 55.751 56.100 -0.078 0.000 0.895 227 R CB 0.889 31.166 30.300 -0.039 0.000 1.246 227 R HN 0.968 nan 8.270 nan 0.000 0.459 228 H N 1.229 120.246 119.070 -0.089 0.000 2.479 228 H HA 0.811 5.367 4.556 -0.000 0.000 0.335 228 H C -0.793 174.509 175.328 -0.042 0.000 1.142 228 H CA -0.935 55.051 56.048 -0.103 0.000 1.234 228 H CB 2.097 31.802 29.762 -0.095 0.000 1.503 228 H HN 0.692 nan 8.280 nan 0.000 0.510 229 A N 3.115 125.941 122.820 0.010 0.000 2.381 229 A HA 0.558 4.878 4.320 -0.000 0.000 0.299 229 A C -1.797 175.687 177.584 -0.165 0.000 1.049 229 A CA -0.487 51.603 52.037 0.088 0.000 0.715 229 A CB 0.698 19.896 19.000 0.331 0.000 1.222 229 A HN 0.634 nan 8.150 nan 0.000 0.428 230 Y N -0.051 120.398 120.300 0.248 0.000 2.605 230 Y HA 0.551 5.101 4.550 -0.000 0.000 0.343 230 Y C 1.288 177.320 175.900 0.219 0.000 1.036 230 Y CA -0.007 58.246 58.100 0.254 0.000 1.065 230 Y CB 2.698 41.358 38.460 0.334 0.000 1.288 230 Y HN 0.658 nan 8.280 nan 0.000 0.481 231 T N -3.568 111.193 114.554 0.344 0.000 3.132 231 T HA 0.170 4.520 4.350 -0.000 0.000 0.274 231 T C -0.013 174.792 174.700 0.176 0.000 1.011 231 T CA -0.274 61.972 62.100 0.243 0.000 0.899 231 T CB -0.409 68.611 68.868 0.253 0.000 1.089 231 T HN 0.453 nan 8.240 nan 0.000 0.543 232 S N 1.071 116.861 115.700 0.150 0.000 2.562 232 S HA 0.598 5.068 4.470 -0.000 0.000 0.275 232 S C -0.181 174.464 174.600 0.075 0.000 1.281 232 S CA -0.938 57.275 58.200 0.022 0.000 1.045 232 S CB 1.371 64.464 63.200 -0.177 0.000 0.962 232 S HN 0.266 nan 8.310 nan 0.000 0.503 233 K N 1.203 121.644 120.400 0.068 0.000 2.120 233 K HA 0.582 4.902 4.320 -0.000 0.000 0.245 233 K C 0.533 177.187 176.600 0.090 0.000 1.024 233 K CA -0.059 56.293 56.287 0.108 0.000 0.906 233 K CB 0.256 32.814 32.500 0.097 0.000 1.051 233 K HN 0.860 nan 8.250 nan 0.000 0.491 234 A N 2.292 125.203 122.820 0.151 0.000 2.520 234 A HA 0.160 4.479 4.320 -0.000 0.000 0.235 234 A C -2.124 175.490 177.584 0.050 0.000 1.065 234 A CA -0.858 51.267 52.037 0.147 0.000 0.764 234 A CB -0.640 18.441 19.000 0.136 0.000 1.002 234 A HN 0.408 nan 8.150 nan 0.000 0.502 235 P HA 0.026 nan 4.420 nan 0.000 0.264 235 P C 0.325 177.588 177.300 -0.062 0.000 1.183 235 P CA 0.535 63.555 63.100 -0.134 0.000 0.763 235 P CB 0.228 31.709 31.700 -0.365 0.000 0.807 236 H N 2.047 121.115 119.070 -0.004 0.000 2.740 236 H HA 0.336 4.892 4.556 -0.000 0.000 0.265 236 H C 0.094 175.441 175.328 0.032 0.000 0.978 236 H CA 0.024 56.077 56.048 0.009 0.000 1.198 236 H CB 0.980 30.752 29.762 0.016 0.000 1.467 236 H HN 0.265 nan 8.280 nan 0.000 0.511 237 K N 1.179 121.391 120.400 -0.313 0.000 2.535 237 K HA 0.341 4.661 4.320 -0.000 0.000 0.251 237 K C -1.433 175.181 176.600 0.024 0.000 0.942 237 K CA -0.567 55.678 56.287 -0.070 0.000 0.798 237 K CB 2.675 35.173 32.500 -0.004 0.000 1.267 237 K HN 0.041 nan 8.250 nan 0.000 0.434 238 K N 1.793 122.238 120.400 0.075 0.000 2.316 238 K HA 0.393 4.713 4.320 -0.000 0.000 0.251 238 K C -0.696 176.011 176.600 0.178 0.000 0.934 238 K CA -0.770 55.596 56.287 0.131 0.000 0.802 238 K CB 2.312 34.855 32.500 0.073 0.000 1.171 238 K HN 0.473 nan 8.250 nan 0.000 0.426 239 T N 0.705 115.362 114.554 0.172 0.000 2.927 239 T HA 0.250 4.600 4.350 -0.000 0.000 0.286 239 T C 0.875 175.609 174.700 0.057 0.000 1.040 239 T CA -0.694 61.472 62.100 0.110 0.000 1.010 239 T CB 0.377 69.285 68.868 0.067 0.000 1.177 239 T HN 0.546 nan 8.240 nan 0.000 0.546 240 F N 0.188 120.150 119.950 0.021 0.000 2.333 240 F HA 0.165 4.692 4.527 -0.000 0.000 0.300 240 F C 1.630 177.382 175.800 -0.080 0.000 1.083 240 F CA 1.142 59.137 58.000 -0.010 0.000 1.395 240 F CB -0.058 38.934 39.000 -0.012 0.000 1.056 240 F HN 0.512 nan 8.300 nan 0.000 0.529 241 E N -1.699 118.008 120.200 -0.821 0.000 2.421 241 E HA 0.171 4.521 4.350 -0.000 0.000 0.209 241 E C -0.528 175.678 176.600 -0.656 0.000 0.871 241 E CA -0.096 55.768 56.400 -0.894 0.000 1.064 241 E CB 0.374 29.153 29.700 -1.536 0.000 1.075 241 E HN 0.420 nan 8.360 nan 0.000 0.513 242 Y N -0.628 119.472 120.300 -0.333 0.000 2.524 242 Y HA 0.392 4.942 4.550 -0.000 0.000 0.344 242 Y C -0.730 175.070 175.900 -0.168 0.000 1.012 242 Y CA -1.450 56.414 58.100 -0.393 0.000 1.068 242 Y CB 1.247 39.298 38.460 -0.683 0.000 1.249 242 Y HN -0.121 nan 8.280 nan 0.000 0.468 243 Y N 1.345 121.505 120.300 -0.234 0.000 2.335 243 Y HA 0.354 4.904 4.550 -0.000 0.000 0.338 243 Y C -0.947 174.721 175.900 -0.387 0.000 0.977 243 Y CA -2.021 55.940 58.100 -0.233 0.000 1.114 243 Y CB 0.618 38.994 38.460 -0.140 0.000 1.182 243 Y HN 0.504 nan 8.280 nan 0.000 0.463 244 Y N 2.203 122.459 120.300 -0.073 0.000 2.387 244 Y HA 0.561 5.111 4.550 -0.000 0.000 0.336 244 Y C -0.076 175.628 175.900 -0.327 0.000 1.067 244 Y CA -0.636 57.332 58.100 -0.221 0.000 1.114 244 Y CB 1.757 40.051 38.460 -0.276 0.000 1.208 244 Y HN 0.455 nan 8.280 nan 0.000 0.458 245 Q N 1.704 121.510 119.800 0.010 0.000 2.345 245 Q HA 0.305 4.645 4.340 -0.000 0.000 0.275 245 Q C -1.412 174.679 176.000 0.152 0.000 1.063 245 Q CA -1.070 54.772 55.803 0.066 0.000 0.819 245 Q CB 2.801 31.492 28.738 -0.078 0.000 1.356 245 Q HN 0.600 nan 8.270 nan 0.000 0.418 246 E N 1.700 122.021 120.200 0.201 0.000 2.366 246 E HA 0.319 4.669 4.350 -0.000 0.000 0.266 246 E C -0.758 175.876 176.600 0.056 0.000 1.051 246 E CA -0.138 56.321 56.400 0.099 0.000 0.884 246 E CB 0.928 30.653 29.700 0.042 0.000 1.006 246 E HN 0.307 nan 8.360 nan 0.000 0.417 247 L N 2.111 123.363 121.223 0.049 0.000 2.331 247 L HA 0.382 4.722 4.340 -0.000 0.000 0.275 247 L C 0.106 177.045 176.870 0.115 0.000 1.022 247 L CA -0.901 53.976 54.840 0.061 0.000 0.812 247 L CB 1.475 43.549 42.059 0.024 0.000 1.257 247 L HN 0.446 nan 8.230 nan 0.000 0.435 248 E N 3.018 123.307 120.200 0.148 0.000 2.349 248 E HA 0.294 4.644 4.350 -0.000 0.000 0.262 248 E C -2.293 174.459 176.600 0.253 0.000 1.088 248 E CA -1.477 55.020 56.400 0.161 0.000 0.899 248 E CB 0.745 30.528 29.700 0.138 0.000 1.044 248 E HN 0.215 nan 8.360 nan 0.000 0.420 249 P HA 0.003 nan 4.420 nan 0.000 0.270 249 P C -2.241 175.033 177.300 -0.044 0.000 1.223 249 P CA -1.030 62.107 63.100 0.061 0.000 0.785 249 P CB 0.191 31.896 31.700 0.009 0.000 0.923 250 P HA -0.139 nan 4.420 nan 0.000 0.219 250 P C 1.508 178.683 177.300 -0.209 0.000 1.146 250 P CA 1.340 64.169 63.100 -0.452 0.000 0.808 250 P CB -0.074 31.228 31.700 -0.663 0.000 0.779 251 E N -0.084 120.030 120.200 -0.144 0.000 2.110 251 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 251 E C 1.366 177.903 176.600 -0.104 0.000 0.988 251 E CA 1.142 57.476 56.400 -0.110 0.000 0.804 251 E CB -0.501 29.160 29.700 -0.065 0.000 0.745 251 E HN 0.281 nan 8.360 nan 0.000 0.458 252 D N 0.220 120.587 120.400 -0.055 0.000 2.149 252 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 252 D C 1.920 178.191 176.300 -0.048 0.000 0.990 252 D CA 0.813 54.800 54.000 -0.023 0.000 0.839 252 D CB -0.275 40.546 40.800 0.035 0.000 0.948 252 D HN 0.198 nan 8.370 nan 0.000 0.460 253 M N -0.072 119.481 119.600 -0.079 0.000 2.132 253 M HA -0.094 4.386 4.480 -0.000 0.000 0.263 253 M C 1.928 177.926 176.300 -0.503 0.000 1.065 253 M CA 1.099 56.279 55.300 -0.199 0.000 1.122 253 M CB 0.067 32.548 32.600 -0.197 0.000 1.365 253 M HN -0.034 nan 8.290 nan 0.000 0.411 254 L N -0.243 120.678 121.223 -0.504 0.000 2.083 254 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 254 L C 2.187 178.827 176.870 -0.383 0.000 1.083 254 L CA 1.409 55.928 54.840 -0.535 0.000 0.752 254 L CB -0.806 41.070 42.059 -0.306 0.000 0.899 254 L HN 0.383 nan 8.230 nan 0.000 0.433 255 E N -0.178 119.874 120.200 -0.248 0.000 2.085 255 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 255 E C 2.254 178.795 176.600 -0.097 0.000 0.994 255 E CA 1.242 57.539 56.400 -0.171 0.000 0.801 255 E CB -0.036 29.605 29.700 -0.099 0.000 0.743 255 E HN 0.556 nan 8.360 nan 0.000 0.453 256 Q N -0.180 119.600 119.800 -0.034 0.000 2.030 256 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 256 Q C 2.089 178.194 176.000 0.176 0.000 0.986 256 Q CA 1.427 57.280 55.803 0.084 0.000 0.843 256 Q CB -0.273 28.557 28.738 0.153 0.000 0.904 256 Q HN 0.247 nan 8.270 nan 0.000 0.420 257 F N 1.313 121.186 119.950 -0.129 0.000 2.087 257 F HA -0.234 4.293 4.527 0.000 0.000 0.299 257 F C 2.297 178.000 175.800 -0.161 0.000 1.100 257 F CA 1.314 59.238 58.000 -0.127 0.000 1.226 257 F CB -0.786 38.138 39.000 -0.127 0.000 0.983 257 F HN 0.052 nan 8.300 nan 0.000 0.479 258 K N -0.457 119.855 120.400 -0.146 0.000 2.025 258 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 258 K C 2.128 178.675 176.600 -0.089 0.000 1.049 258 K CA 1.704 57.819 56.287 -0.287 0.000 0.933 258 K CB -0.288 31.881 32.500 -0.551 0.000 0.714 258 K HN 0.148 nan 8.250 nan 0.000 0.438 259 T N 0.695 115.215 114.554 -0.056 0.000 2.684 259 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 259 T C 1.785 176.499 174.700 0.023 0.000 1.036 259 T CA 1.575 63.671 62.100 -0.007 0.000 1.148 259 T CB -0.093 68.779 68.868 0.006 0.000 0.863 259 T HN -0.003 nan 8.240 nan 0.000 0.436 260 V N 1.401 121.336 119.914 0.036 0.000 2.427 260 V HA -0.100 4.020 4.120 -0.000 0.000 0.248 260 V C 2.537 178.655 176.094 0.041 0.000 1.051 260 V CA 1.559 63.885 62.300 0.044 0.000 1.048 260 V CB -0.583 31.262 31.823 0.038 0.000 0.666 260 V HN 0.253 nan 8.190 nan 0.000 0.456 261 R N 1.423 121.946 120.500 0.037 0.000 2.105 261 R HA -0.138 4.202 4.340 -0.000 0.000 0.239 261 R C 2.126 178.451 176.300 0.042 0.000 1.135 261 R CA 1.986 58.114 56.100 0.047 0.000 0.967 261 R CB -0.933 29.415 30.300 0.080 0.000 0.861 261 R HN 0.444 nan 8.270 nan 0.000 0.442 262 A N 0.426 123.266 122.820 0.033 0.000 1.902 262 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 262 A C 2.277 179.880 177.584 0.033 0.000 1.181 262 A CA 1.475 53.529 52.037 0.029 0.000 0.623 262 A CB -0.608 18.404 19.000 0.020 0.000 0.818 262 A HN 0.364 nan 8.150 nan 0.000 0.443 263 L N -0.575 120.674 121.223 0.043 0.000 2.042 263 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 263 L C 2.475 179.377 176.870 0.052 0.000 1.076 263 L CA 1.446 56.320 54.840 0.056 0.000 0.749 263 L CB -0.533 41.571 42.059 0.075 0.000 0.893 263 L HN 0.394 nan 8.230 nan 0.000 0.432 264 I N -0.644 119.956 120.570 0.051 0.000 2.315 264 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 264 I C 2.572 178.696 176.117 0.013 0.000 1.117 264 I CA 1.153 62.483 61.300 0.049 0.000 1.404 264 I CB -0.260 37.774 38.000 0.056 0.000 1.071 264 I HN 0.191 nan 8.210 nan 0.000 0.419 265 R N 0.305 120.806 120.500 0.001 0.000 2.189 265 R HA -0.085 4.255 4.340 -0.000 0.000 0.218 265 R C 1.724 177.997 176.300 -0.044 0.000 1.074 265 R CA 0.732 56.810 56.100 -0.037 0.000 0.991 265 R CB -0.062 30.229 30.300 -0.015 0.000 0.883 265 R HN 0.452 nan 8.270 nan 0.000 0.457 266 Q N 0.225 120.017 119.800 -0.014 0.000 2.320 266 Q HA 0.059 4.399 4.340 -0.000 0.000 0.201 266 Q C 0.141 176.127 176.000 -0.024 0.000 0.910 266 Q CA -0.074 55.722 55.803 -0.011 0.000 0.946 266 Q CB 0.903 29.651 28.738 0.017 0.000 1.062 266 Q HN 0.187 nan 8.270 nan 0.000 0.503 267 S N -0.539 115.133 115.700 -0.046 0.000 2.738 267 S HA 0.339 4.809 4.470 -0.000 0.000 0.284 267 S C -2.108 172.383 174.600 -0.182 0.000 1.146 267 S CA -1.323 56.818 58.200 -0.098 0.000 0.997 267 S CB 0.844 64.031 63.200 -0.020 0.000 1.081 267 S HN -0.172 nan 8.310 nan 0.000 0.553 268 P HA 0.218 nan 4.420 nan 0.000 0.242 268 P C -0.643 176.207 177.300 -0.750 0.000 1.197 268 P CA 0.663 63.445 63.100 -0.531 0.000 0.765 268 P CB -0.266 31.004 31.700 -0.715 0.000 0.936 269 F N -0.306 119.560 119.950 -0.140 0.000 2.523 269 F HA 0.332 4.859 4.527 -0.000 0.000 0.322 269 F C -1.612 174.117 175.800 -0.119 0.000 1.361 269 F CA -2.201 55.742 58.000 -0.095 0.000 1.151 269 F CB 1.058 40.014 39.000 -0.074 0.000 1.391 269 F HN -0.111 nan 8.300 nan 0.000 0.566 270 P HA -0.115 nan 4.420 nan 0.000 0.226 270 P C 0.502 177.618 177.300 -0.306 0.000 1.153 270 P CA 1.556 64.492 63.100 -0.274 0.000 0.777 270 P CB -0.004 31.416 31.700 -0.466 0.000 0.794 271 H N -1.668 117.454 119.070 0.085 0.000 2.594 271 H HA 0.261 4.817 4.556 -0.000 0.000 0.279 271 H C 0.729 176.107 175.328 0.082 0.000 1.042 271 H CA -0.575 55.516 56.048 0.071 0.000 1.177 271 H CB -0.320 29.478 29.762 0.060 0.000 1.524 271 H HN 0.015 nan 8.280 nan 0.000 0.537 272 L N 3.128 124.453 121.223 0.170 0.000 2.559 272 L HA 0.039 4.379 4.340 -0.000 0.000 0.274 272 L C -1.870 175.060 176.870 0.100 0.000 1.205 272 L CA -1.667 53.259 54.840 0.143 0.000 0.907 272 L CB 0.252 42.382 42.059 0.117 0.000 1.153 272 L HN 0.018 nan 8.230 nan 0.000 0.490 273 P HA -0.022 nan 4.420 nan 0.000 0.265 273 P C -0.665 176.594 177.300 -0.068 0.000 1.187 273 P CA 0.129 63.200 63.100 -0.048 0.000 0.766 273 P CB 0.496 32.149 31.700 -0.079 0.000 0.820 274 L N 4.549 125.650 121.223 -0.204 0.000 2.305 274 L HA 0.327 4.667 4.340 -0.000 0.000 0.284 274 L C -0.403 176.260 176.870 -0.344 0.000 1.013 274 L CA -0.579 54.171 54.840 -0.151 0.000 0.819 274 L CB 0.542 42.544 42.059 -0.096 0.000 1.227 274 L HN 0.458 nan 8.230 nan 0.000 0.417 275 H N 6.266 125.361 119.070 0.042 0.000 2.551 275 H HA 0.330 4.886 4.556 -0.000 0.000 0.321 275 H C -0.253 175.056 175.328 -0.031 0.000 1.028 275 H CA -0.695 55.347 56.048 -0.010 0.000 1.215 275 H CB 2.182 31.952 29.762 0.013 0.000 1.414 275 H HN 0.394 nan 8.280 nan 0.000 0.480 276 I N 4.294 124.869 120.570 0.008 0.000 2.329 276 I HA -0.042 4.128 4.170 -0.000 0.000 0.295 276 I C 1.602 177.745 176.117 0.044 0.000 1.109 276 I CA 0.107 61.371 61.300 -0.059 0.000 1.297 276 I CB 0.151 37.949 38.000 -0.337 0.000 1.433 276 I HN 0.573 nan 8.210 nan 0.000 0.509 277 T N 2.002 116.582 114.554 0.043 0.000 3.113 277 T HA 0.181 4.531 4.350 -0.000 0.000 0.256 277 T C 0.547 175.097 174.700 -0.250 0.000 1.131 277 T CA 0.246 62.269 62.100 -0.127 0.000 1.074 277 T CB 0.168 68.925 68.868 -0.185 0.000 0.944 277 T HN 0.580 nan 8.240 nan 0.000 0.516 278 E N 0.198 120.233 120.200 -0.274 0.000 2.343 278 E HA 0.536 4.886 4.350 -0.000 0.000 0.278 278 E C -1.795 174.640 176.600 -0.275 0.000 0.910 278 E CA -1.203 54.930 56.400 -0.445 0.000 0.757 278 E CB 2.264 31.322 29.700 -1.069 0.000 1.218 278 E HN 0.533 nan 8.360 nan 0.000 0.435 279 Y N 0.781 120.842 120.300 -0.398 0.000 2.581 279 Y HA 0.722 5.272 4.550 -0.000 0.000 0.337 279 Y C -1.255 174.386 175.900 -0.431 0.000 1.108 279 Y CA -0.591 57.214 58.100 -0.493 0.000 1.033 279 Y CB 1.903 40.370 38.460 0.012 0.000 1.318 279 Y HN 0.674 nan 8.280 nan 0.000 0.459 280 N N -0.794 117.676 118.700 -0.384 0.000 3.373 280 N HA 0.215 4.955 4.740 -0.000 0.000 0.275 280 N C 0.183 175.830 175.510 0.229 0.000 1.489 280 N CA -0.114 52.875 53.050 -0.102 0.000 0.872 280 N CB 1.280 39.681 38.487 -0.142 0.000 1.555 280 N HN 0.889 nan 8.380 nan 0.000 0.500 281 T N -1.547 113.134 114.554 0.213 0.000 2.639 281 T HA -0.008 4.342 4.350 -0.000 0.000 0.261 281 T C 1.016 175.848 174.700 0.219 0.000 1.053 281 T CA 1.148 63.259 62.100 0.018 0.000 1.158 281 T CB -0.462 68.220 68.868 -0.310 0.000 0.863 281 T HN 0.328 nan 8.240 nan 0.000 0.413 282 S N 0.797 116.701 115.700 0.341 0.000 2.509 282 S HA 0.435 4.905 4.470 -0.000 0.000 0.297 282 S C 0.356 175.181 174.600 0.375 0.000 1.118 282 S CA -1.011 57.294 58.200 0.175 0.000 1.074 282 S CB 1.013 64.129 63.200 -0.142 0.000 1.038 282 S HN 0.534 nan 8.310 nan 0.000 0.498 283 Y N 2.574 122.858 120.300 -0.027 0.000 2.502 283 Y HA 0.429 4.979 4.550 -0.000 0.000 0.295 283 Y C 0.707 176.769 175.900 0.270 0.000 1.193 283 Y CA -0.532 57.325 58.100 -0.405 0.000 1.295 283 Y CB -0.750 37.099 38.460 -1.019 0.000 1.059 283 Y HN 0.468 nan 8.280 nan 0.000 0.514 284 S N 2.995 118.857 115.700 0.270 0.000 2.451 284 S HA 0.357 4.827 4.470 -0.000 0.000 0.301 284 S C -1.920 172.445 174.600 -0.391 0.000 1.116 284 S CA -1.838 56.440 58.200 0.130 0.000 1.093 284 S CB 1.246 64.485 63.200 0.065 0.000 1.017 284 S HN 0.139 nan 8.310 nan 0.000 0.482 285 P HA 0.141 nan 4.420 nan 0.000 0.253 285 P C 0.377 177.412 177.300 -0.441 0.000 1.281 285 P CA 0.301 62.754 63.100 -1.077 0.000 0.792 285 P CB -0.667 30.758 31.700 -0.458 0.000 1.193 286 I N -4.444 115.933 120.570 -0.321 0.000 3.241 286 I HA 0.449 4.619 4.170 -0.000 0.000 0.333 286 I C -0.443 175.552 176.117 -0.203 0.000 1.534 286 I CA -0.741 60.434 61.300 -0.208 0.000 0.979 286 I CB -0.102 37.743 38.000 -0.258 0.000 1.497 286 I HN -0.297 nan 8.210 nan 0.000 0.530 287 N N 2.966 121.512 118.700 -0.257 0.000 2.501 287 N HA 0.407 5.147 4.740 -0.000 0.000 0.245 287 N C -1.896 173.341 175.510 -0.454 0.000 0.974 287 N CA -2.260 50.564 53.050 -0.376 0.000 0.941 287 N CB 1.951 40.184 38.487 -0.424 0.000 1.122 287 N HN -0.044 nan 8.380 nan 0.000 0.507 288 P HA -0.165 nan 4.420 nan 0.000 0.222 288 P C 1.372 178.352 177.300 -0.534 0.000 1.142 288 P CA 0.849 63.664 63.100 -0.475 0.000 0.788 288 P CB 0.187 31.617 31.700 -0.449 0.000 0.767 289 V N -2.881 116.737 119.914 -0.493 0.000 2.469 289 V HA -0.276 3.844 4.120 -0.000 0.000 0.251 289 V C 2.074 177.908 176.094 -0.432 0.000 1.064 289 V CA 1.864 63.887 62.300 -0.460 0.000 1.066 289 V CB -1.911 29.673 31.823 -0.399 0.000 0.667 289 V HN 0.231 nan 8.190 nan 0.000 0.461 290 H N 0.732 119.635 119.070 -0.278 0.000 2.518 290 H HA -0.028 4.528 4.556 -0.000 0.000 0.289 290 H C 1.406 176.593 175.328 -0.235 0.000 1.051 290 H CA 1.545 57.476 56.048 -0.195 0.000 1.280 290 H CB -0.183 29.471 29.762 -0.181 0.000 1.380 290 H HN 0.553 nan 8.280 nan 0.000 0.566 291 D N 0.659 120.865 120.400 -0.323 0.000 2.349 291 D HA 0.007 4.647 4.640 -0.000 0.000 0.214 291 D C 0.976 176.967 176.300 -0.515 0.000 1.063 291 D CA 0.236 53.989 54.000 -0.410 0.000 0.847 291 D CB 0.471 40.897 40.800 -0.624 0.000 0.933 291 D HN 0.387 nan 8.370 nan 0.000 0.513 292 T N -3.318 110.959 114.554 -0.462 0.000 2.952 292 T HA 0.610 4.960 4.350 -0.000 0.000 0.286 292 T C 1.395 176.030 174.700 -0.108 0.000 1.024 292 T CA -0.508 61.355 62.100 -0.395 0.000 1.029 292 T CB 2.246 70.812 68.868 -0.503 0.000 1.094 292 T HN -0.149 nan 8.240 nan 0.000 0.515 293 A N 0.620 123.439 122.820 -0.001 0.000 1.972 293 A HA 0.050 4.370 4.320 -0.000 0.000 0.219 293 A C 2.149 179.780 177.584 0.078 0.000 1.169 293 A CA 1.416 53.497 52.037 0.074 0.000 0.635 293 A CB -1.104 17.967 19.000 0.118 0.000 0.810 293 A HN 0.925 nan 8.150 nan 0.000 0.446 294 L N 0.253 121.503 121.223 0.045 0.000 2.013 294 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 294 L C 2.279 179.215 176.870 0.110 0.000 1.073 294 L CA 2.322 57.208 54.840 0.078 0.000 0.753 294 L CB -0.470 41.610 42.059 0.036 0.000 0.890 294 L HN 0.539 nan 8.230 nan 0.000 0.432 295 N N -0.557 118.169 118.700 0.043 0.000 2.166 295 N HA -0.210 4.530 4.740 -0.000 0.000 0.186 295 N C 1.770 177.364 175.510 0.140 0.000 1.019 295 N CA 1.351 54.447 53.050 0.077 0.000 0.856 295 N CB -0.006 38.509 38.487 0.047 0.000 0.993 295 N HN 0.549 nan 8.380 nan 0.000 0.426 296 A N 0.868 123.752 122.820 0.106 0.000 1.898 296 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 296 A C 2.334 179.978 177.584 0.100 0.000 1.181 296 A CA 1.728 53.823 52.037 0.096 0.000 0.620 296 A CB -0.754 18.305 19.000 0.099 0.000 0.819 296 A HN 0.417 nan 8.150 nan 0.000 0.442 297 A N -1.917 120.991 122.820 0.146 0.000 1.969 297 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 297 A C 2.106 179.743 177.584 0.088 0.000 1.169 297 A CA 1.449 53.583 52.037 0.161 0.000 0.635 297 A CB -0.714 18.419 19.000 0.222 0.000 0.810 297 A HN 0.686 nan 8.150 nan 0.000 0.445 298 Y N -0.157 120.154 120.300 0.019 0.000 2.163 298 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 298 Y C 1.964 177.830 175.900 -0.057 0.000 1.136 298 Y CA 1.864 59.969 58.100 0.008 0.000 1.147 298 Y CB -0.109 38.386 38.460 0.059 0.000 0.987 298 Y HN 0.250 nan 8.280 nan 0.000 0.509 299 I N 0.225 120.943 120.570 0.245 0.000 2.439 299 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 299 I C 2.584 178.564 176.117 -0.229 0.000 1.139 299 I CA 1.202 62.587 61.300 0.142 0.000 1.438 299 I CB -0.811 37.320 38.000 0.217 0.000 1.085 299 I HN 0.300 nan 8.210 nan 0.000 0.427 300 A N 0.535 123.117 122.820 -0.397 0.000 1.927 300 A HA -0.322 3.998 4.320 -0.000 0.000 0.220 300 A C 2.391 179.298 177.584 -1.127 0.000 1.185 300 A CA 2.210 53.809 52.037 -0.729 0.000 0.639 300 A CB -0.621 18.029 19.000 -0.584 0.000 0.820 300 A HN 0.301 nan 8.150 nan 0.000 0.451 301 R N 0.351 120.176 120.500 -1.124 0.000 2.103 301 R HA -0.105 4.235 4.340 -0.000 0.000 0.242 301 R C 1.734 177.823 176.300 -0.353 0.000 1.142 301 R CA 2.112 57.825 56.100 -0.646 0.000 0.960 301 R CB -0.826 29.284 30.300 -0.316 0.000 0.858 301 R HN 0.634 nan 8.270 nan 0.000 0.439 302 I N -0.129 120.257 120.570 -0.307 0.000 2.286 302 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 302 I C 2.050 178.103 176.117 -0.107 0.000 1.104 302 I CA 0.918 62.093 61.300 -0.208 0.000 1.397 302 I CB -0.312 37.630 38.000 -0.096 0.000 1.072 302 I HN 0.092 nan 8.210 nan 0.000 0.417 303 L N -0.013 121.064 121.223 -0.243 0.000 2.042 303 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 303 L C 2.778 179.550 176.870 -0.164 0.000 1.076 303 L CA 1.206 55.823 54.840 -0.371 0.000 0.749 303 L CB -0.737 40.381 42.059 -1.569 0.000 0.893 303 L HN 0.229 nan 8.230 nan 0.000 0.432 304 S N -0.383 115.218 115.700 -0.165 0.000 2.368 304 S HA -0.233 4.237 4.470 -0.000 0.000 0.226 304 S C 1.745 176.508 174.600 0.272 0.000 1.044 304 S CA 2.036 60.376 58.200 0.233 0.000 1.062 304 S CB -0.020 63.278 63.200 0.163 0.000 0.931 304 S HN 0.543 nan 8.310 nan 0.000 0.440 305 E N -1.379 118.891 120.200 0.116 0.000 2.453 305 E HA 0.184 4.534 4.350 -0.000 0.000 0.211 305 E C 2.132 178.695 176.600 -0.062 0.000 0.897 305 E CA 0.439 56.871 56.400 0.053 0.000 1.063 305 E CB -0.354 29.380 29.700 0.058 0.000 1.080 305 E HN 0.516 nan 8.360 nan 0.000 0.512 306 G N 1.770 110.465 108.800 -0.174 0.000 2.469 306 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 306 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 306 G C 1.511 176.206 174.900 -0.342 0.000 1.136 306 G CA 0.949 45.794 45.100 -0.425 0.000 0.759 306 G HN 0.348 nan 8.290 nan 0.000 0.562 307 G N 0.193 108.919 108.800 -0.124 0.000 2.625 307 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.214 307 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.214 307 G C 1.172 176.012 174.900 -0.101 0.000 1.132 307 G CA 0.829 45.981 45.100 0.087 0.000 0.782 307 G HN 0.326 nan 8.290 nan 0.000 0.538 308 D N -0.524 119.675 120.400 -0.335 0.000 2.317 308 D HA 0.004 4.644 4.640 -0.000 0.000 0.211 308 D C 1.182 177.133 176.300 -0.581 0.000 0.966 308 D CA 0.684 54.354 54.000 -0.550 0.000 0.876 308 D CB 0.017 40.257 40.800 -0.934 0.000 0.927 308 D HN 0.604 nan 8.370 nan 0.000 0.519 309 Y N -0.549 119.758 120.300 0.012 0.000 2.467 309 Y HA 0.158 4.708 4.550 -0.000 0.000 0.259 309 Y C 0.807 176.682 175.900 -0.041 0.000 1.084 309 Y CA -0.511 57.595 58.100 0.010 0.000 1.275 309 Y CB 1.056 39.558 38.460 0.069 0.000 1.208 309 Y HN -0.233 nan 8.280 nan 0.000 0.511 310 V N -3.779 116.148 119.914 0.021 0.000 3.078 310 V HA 0.395 4.515 4.120 -0.000 0.000 0.311 310 V C -0.238 175.810 176.094 -0.077 0.000 1.138 310 V CA -0.951 61.299 62.300 -0.084 0.000 1.007 310 V CB 2.243 33.915 31.823 -0.253 0.000 1.045 310 V HN 0.008 nan 8.190 nan 0.000 0.432 311 D N 1.564 121.854 120.400 -0.184 0.000 2.317 311 D HA 0.112 4.752 4.640 -0.000 0.000 0.211 311 D C 0.789 176.975 176.300 -0.191 0.000 0.966 311 D CA 1.646 55.499 54.000 -0.246 0.000 0.876 311 D CB 0.740 41.270 40.800 -0.451 0.000 0.927 311 D HN 0.952 nan 8.370 nan 0.000 0.519 312 S N -0.008 115.706 115.700 0.023 0.000 2.597 312 S HA 0.490 4.960 4.470 -0.000 0.000 0.274 312 S C -1.638 173.192 174.600 0.383 0.000 1.132 312 S CA -1.124 57.209 58.200 0.222 0.000 0.835 312 S CB 0.809 64.133 63.200 0.206 0.000 1.092 312 S HN 0.049 nan 8.310 nan 0.000 0.457 313 F N -0.683 119.350 119.950 0.139 0.000 2.653 313 F HA 0.805 5.332 4.527 -0.000 0.000 0.327 313 F C -0.443 175.613 175.800 0.426 0.000 1.195 313 F CA -1.027 57.050 58.000 0.128 0.000 0.993 313 F CB 1.421 40.353 39.000 -0.113 0.000 1.259 313 F HN 0.618 nan 8.300 nan 0.000 0.478 314 S N 3.900 119.857 115.700 0.429 0.000 2.423 314 S HA 0.333 4.803 4.470 -0.000 0.000 0.317 314 S C -0.974 173.696 174.600 0.117 0.000 1.065 314 S CA -0.385 57.929 58.200 0.190 0.000 1.111 314 S CB -0.054 63.134 63.200 -0.020 0.000 0.968 314 S HN 0.637 nan 8.310 nan 0.000 0.474 315 Y N 5.612 125.834 120.300 -0.129 0.000 2.632 315 Y HA 0.148 4.698 4.550 -0.000 0.000 0.329 315 Y C -0.084 175.614 175.900 -0.336 0.000 1.174 315 Y CA 0.044 57.852 58.100 -0.486 0.000 1.469 315 Y CB 0.372 38.653 38.460 -0.299 0.000 1.242 315 Y HN 0.732 nan 8.280 nan 0.000 0.540 316 W N 9.775 130.426 121.300 -1.081 0.000 2.288 316 W HA 0.363 5.023 4.660 -0.000 0.000 0.325 316 W C -1.101 174.808 176.519 -1.018 0.000 1.019 316 W CA -0.253 56.557 57.345 -0.890 0.000 1.403 316 W CB 0.871 29.800 29.460 -0.884 0.000 1.226 316 W HN 0.764 nan 8.180 nan 0.000 0.391 317 T N 1.343 115.455 114.554 -0.736 0.000 2.778 317 T HA 0.309 4.659 4.350 -0.000 0.000 0.293 317 T C 0.506 175.052 174.700 -0.257 0.000 1.144 317 T CA -0.689 61.031 62.100 -0.634 0.000 1.010 317 T CB 1.134 69.428 68.868 -0.957 0.000 1.325 317 T HN 0.325 nan 8.240 nan 0.000 0.515 318 F N 0.235 119.951 119.950 -0.390 0.000 2.365 318 F HA 0.399 4.926 4.527 -0.000 0.000 0.300 318 F C 0.629 176.304 175.800 -0.209 0.000 1.090 318 F CA 0.455 58.271 58.000 -0.307 0.000 1.408 318 F CB -0.148 38.630 39.000 -0.369 0.000 1.060 318 F HN 0.731 nan 8.300 nan 0.000 0.534 319 S N -0.592 114.457 115.700 -1.084 0.000 2.537 319 S HA 0.264 4.734 4.470 -0.000 0.000 0.270 319 S C -0.316 173.988 174.600 -0.493 0.000 1.142 319 S CA -0.774 56.897 58.200 -0.882 0.000 0.870 319 S CB 1.226 63.582 63.200 -1.407 0.000 1.112 319 S HN 0.109 nan 8.310 nan 0.000 0.466 320 D N 1.625 121.870 120.400 -0.259 0.000 2.378 320 D HA 0.090 4.730 4.640 -0.000 0.000 0.227 320 D C 0.352 176.648 176.300 -0.007 0.000 1.012 320 D CA 0.496 54.429 54.000 -0.112 0.000 0.905 320 D CB -0.046 40.732 40.800 -0.036 0.000 0.895 320 D HN 0.342 nan 8.370 nan 0.000 0.532 321 V N 1.901 121.757 119.914 -0.096 0.000 2.390 321 V HA 0.117 4.237 4.120 -0.000 0.000 0.260 321 V C -0.323 175.842 176.094 0.118 0.000 1.043 321 V CA 0.192 62.467 62.300 -0.042 0.000 1.047 321 V CB -0.744 31.010 31.823 -0.115 0.000 1.066 321 V HN -0.046 nan 8.190 nan 0.000 0.481 322 F N 3.195 123.092 119.950 -0.088 0.000 2.669 322 F HA 0.374 4.901 4.527 -0.000 0.000 0.315 322 F C 0.342 176.127 175.800 -0.024 0.000 1.109 322 F CA -0.558 57.412 58.000 -0.051 0.000 1.028 322 F CB 2.101 41.071 39.000 -0.049 0.000 1.287 322 F HN 0.428 nan 8.300 nan 0.000 0.452 323 E N 2.581 122.637 120.200 -0.239 0.000 2.810 323 E HA 0.083 4.433 4.350 -0.000 0.000 0.214 323 E C 0.651 177.314 176.600 0.105 0.000 0.980 323 E CA 0.041 56.427 56.400 -0.024 0.000 1.159 323 E CB 0.676 30.436 29.700 0.101 0.000 1.047 323 E HN 0.719 nan 8.360 nan 0.000 0.484 324 E N 0.688 120.819 120.200 -0.115 0.000 2.077 324 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 324 E C 1.068 177.744 176.600 0.127 0.000 0.989 324 E CA 0.882 57.208 56.400 -0.124 0.000 0.800 324 E CB 0.185 29.633 29.700 -0.421 0.000 0.746 324 E HN 0.156 nan 8.360 nan 0.000 0.452 325 M N 1.507 121.180 119.600 0.121 0.000 2.738 325 M HA 0.145 4.625 4.480 -0.000 0.000 0.295 325 M C -0.500 175.744 176.300 -0.093 0.000 1.266 325 M CA 0.169 55.502 55.300 0.055 0.000 0.985 325 M CB -0.586 32.010 32.600 -0.006 0.000 1.365 325 M HN -0.039 nan 8.290 nan 0.000 0.492 326 D N -0.298 119.949 120.400 -0.254 0.000 10.639 326 D HA -0.150 4.490 4.640 -0.000 0.000 0.356 326 D C -0.857 175.191 176.300 -0.421 0.000 3.104 326 D CA 0.216 53.773 54.000 -0.739 0.000 2.568 326 D CB 0.495 40.959 40.800 -0.562 0.000 1.215 326 D HN 0.058 nan 8.370 nan 0.000 0.959 327 V N 2.187 121.848 119.914 -0.421 0.000 2.673 327 V HA 0.218 4.338 4.120 -0.000 0.000 0.303 327 V C -1.454 174.503 176.094 -0.228 0.000 1.046 327 V CA -0.495 61.662 62.300 -0.238 0.000 1.126 327 V CB 0.376 32.099 31.823 -0.167 0.000 0.934 327 V HN 0.428 nan 8.190 nan 0.000 0.487 328 P HA 0.076 nan 4.420 nan 0.000 0.262 328 P C 0.257 177.404 177.300 -0.255 0.000 1.182 328 P CA 0.248 63.014 63.100 -0.557 0.000 0.761 328 P CB 0.351 31.526 31.700 -0.876 0.000 0.795 329 K N 1.527 121.820 120.400 -0.178 0.000 2.374 329 K HA 0.402 4.722 4.320 -0.000 0.000 0.196 329 K C 0.478 177.078 176.600 -0.001 0.000 1.023 329 K CA 0.058 56.356 56.287 0.020 0.000 1.103 329 K CB 0.508 33.019 32.500 0.019 0.000 0.848 329 K HN 0.504 nan 8.250 nan 0.000 0.528 330 A N -0.029 122.773 122.820 -0.029 0.000 2.599 330 A HA 0.242 4.562 4.320 -0.000 0.000 0.290 330 A C 0.218 177.794 177.584 -0.013 0.000 1.101 330 A CA -0.736 51.283 52.037 -0.031 0.000 0.674 330 A CB 0.327 19.432 19.000 0.174 0.000 1.277 330 A HN 0.040 nan 8.150 nan 0.000 0.419 331 L N -0.457 120.697 121.223 -0.116 0.000 1.971 331 L HA -0.031 4.309 4.340 -0.000 0.000 0.215 331 L C 0.022 176.477 176.870 -0.691 0.000 1.072 331 L CA 1.850 56.451 54.840 -0.398 0.000 0.758 331 L CB -0.271 41.450 42.059 -0.565 0.000 0.889 331 L HN 0.659 nan 8.230 nan 0.000 0.433 332 F N 0.073 119.591 119.950 -0.719 0.000 2.332 332 F HA 0.210 4.736 4.527 -0.000 0.000 0.368 332 F C 0.861 176.470 175.800 -0.318 0.000 1.110 332 F CA -0.617 57.007 58.000 -0.627 0.000 1.087 332 F CB 0.730 39.239 39.000 -0.818 0.000 1.235 332 F HN 0.175 nan 8.300 nan 0.000 0.470 333 H N 1.306 120.358 119.070 -0.031 0.000 2.885 333 H HA 0.352 4.908 4.556 -0.000 0.000 0.254 333 H C 1.112 176.466 175.328 0.043 0.000 1.185 333 H CA -0.001 56.090 56.048 0.071 0.000 1.029 333 H CB 0.564 30.300 29.762 -0.043 0.000 1.743 333 H HN 0.794 nan 8.280 nan 0.000 0.632 334 G N 0.832 109.468 108.800 -0.274 0.000 2.141 334 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.242 334 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.242 334 G C 0.711 175.431 174.900 -0.299 0.000 0.982 334 G CA -0.014 44.932 45.100 -0.256 0.000 0.662 334 G HN 0.847 nan 8.290 nan 0.000 0.527 335 G N -0.897 107.533 108.800 -0.616 0.000 2.554 335 G HA2 0.414 4.374 3.960 -0.000 0.000 0.238 335 G HA3 0.414 4.374 3.960 -0.000 0.000 0.238 335 G C 0.791 175.381 174.900 -0.516 0.000 1.259 335 G CA -0.104 44.656 45.100 -0.567 0.000 0.843 335 G HN 0.266 nan 8.290 nan 0.000 0.582 336 F N 1.204 120.797 119.950 -0.594 0.000 2.451 336 F HA 0.071 4.598 4.527 -0.000 0.000 0.299 336 F C 2.294 177.781 175.800 -0.522 0.000 1.101 336 F CA 0.206 57.728 58.000 -0.797 0.000 1.436 336 F CB 0.072 38.508 39.000 -0.940 0.000 1.074 336 F HN 0.503 nan 8.300 nan 0.000 0.553 337 G N 0.306 108.945 108.800 -0.269 0.000 2.441 337 G HA2 0.223 4.183 3.960 -0.000 0.000 0.243 337 G HA3 0.223 4.183 3.960 -0.000 0.000 0.243 337 G C 0.834 175.677 174.900 -0.095 0.000 1.281 337 G CA -0.542 44.422 45.100 -0.227 0.000 0.854 337 G HN 0.208 nan 8.290 nan 0.000 0.560 338 L N 1.224 122.405 121.223 -0.069 0.000 2.141 338 L HA -0.009 4.331 4.340 -0.000 0.000 0.209 338 L C 0.660 177.472 176.870 -0.096 0.000 1.094 338 L CA 0.643 55.455 54.840 -0.047 0.000 0.763 338 L CB -0.455 41.585 42.059 -0.032 0.000 0.908 338 L HN 0.189 nan 8.230 nan 0.000 0.437 339 V N -0.220 119.554 119.914 -0.233 0.000 2.495 339 V HA 0.606 4.726 4.120 -0.000 0.000 0.298 339 V C 0.278 176.108 176.094 -0.440 0.000 1.031 339 V CA -0.902 61.141 62.300 -0.429 0.000 0.871 339 V CB 1.441 32.891 31.823 -0.622 0.000 0.988 339 V HN 0.139 nan 8.190 nan 0.000 0.432 340 A N 4.498 127.087 122.820 -0.384 0.000 2.271 340 A HA 0.768 5.088 4.320 -0.000 0.000 0.288 340 A C 0.017 177.407 177.584 -0.322 0.000 1.094 340 A CA -0.621 51.218 52.037 -0.329 0.000 0.828 340 A CB 0.294 19.066 19.000 -0.381 0.000 1.091 340 A HN 0.843 nan 8.150 nan 0.000 0.493 341 L N 0.262 121.394 121.223 -0.153 0.000 2.536 341 L HA -0.020 4.319 4.340 -0.000 0.000 0.294 341 L C 0.805 177.619 176.870 -0.094 0.000 1.257 341 L CA 0.987 55.777 54.840 -0.083 0.000 0.850 341 L CB -0.288 41.663 42.059 -0.181 0.000 1.105 341 L HN 1.058 nan 8.230 nan 0.000 0.517 342 H N 0.038 119.139 119.070 0.052 0.000 3.047 342 H HA -0.194 4.362 4.556 -0.000 0.000 0.263 342 H C 0.848 176.144 175.328 -0.054 0.000 1.168 342 H CA 0.490 56.542 56.048 0.007 0.000 1.152 342 H CB -1.649 28.094 29.762 -0.031 0.000 1.278 342 H HN 0.719 nan 8.280 nan 0.000 0.339 343 S N -1.717 113.921 115.700 -0.104 0.000 3.641 343 S HA -0.229 4.241 4.470 -0.000 0.000 0.346 343 S C 0.444 174.888 174.600 -0.260 0.000 1.074 343 S CA 0.831 58.846 58.200 -0.308 0.000 1.026 343 S CB -1.450 61.696 63.200 -0.090 0.000 0.908 343 S HN 0.546 nan 8.310 nan 0.000 0.479 344 I N 2.864 123.299 120.570 -0.225 0.000 2.379 344 I HA 0.215 4.385 4.170 -0.000 0.000 0.290 344 I C -1.852 174.106 176.117 -0.265 0.000 1.063 344 I CA -2.053 59.151 61.300 -0.160 0.000 1.351 344 I CB 0.623 38.595 38.000 -0.047 0.000 1.410 344 I HN -0.045 nan 8.210 nan 0.000 0.505 345 P HA 0.205 nan 4.420 nan 0.000 0.280 345 P C -0.917 176.246 177.300 -0.228 0.000 1.244 345 P CA -0.459 62.295 63.100 -0.576 0.000 0.784 345 P CB 0.720 31.794 31.700 -1.044 0.000 0.913 346 K N 4.107 124.418 120.400 -0.149 0.000 2.102 346 K HA 0.238 4.558 4.320 -0.000 0.000 0.244 346 K C -1.626 174.958 176.600 -0.026 0.000 1.021 346 K CA -1.690 54.593 56.287 -0.007 0.000 0.913 346 K CB -0.395 32.117 32.500 0.019 0.000 1.062 346 K HN 0.167 nan 8.250 nan 0.000 0.485 347 P HA -0.189 nan 4.420 nan 0.000 0.217 347 P C 0.715 178.061 177.300 0.077 0.000 1.151 347 P CA 1.501 64.687 63.100 0.143 0.000 0.849 347 P CB 0.126 31.899 31.700 0.122 0.000 0.787 348 T N -1.409 113.173 114.554 0.047 0.000 2.867 348 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 348 T C 1.394 176.148 174.700 0.091 0.000 1.057 348 T CA 0.733 62.860 62.100 0.047 0.000 1.136 348 T CB -0.980 67.898 68.868 0.017 0.000 0.874 348 T HN 0.087 nan 8.240 nan 0.000 0.466 349 F N 1.750 121.603 119.950 -0.162 0.000 2.126 349 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 349 F C 2.186 177.888 175.800 -0.163 0.000 1.096 349 F CA 1.587 59.468 58.000 -0.199 0.000 1.255 349 F CB -0.342 38.436 39.000 -0.370 0.000 0.997 349 F HN 0.326 nan 8.300 nan 0.000 0.479 350 H N -0.658 118.427 119.070 0.025 0.000 2.395 350 H HA 0.031 4.587 4.556 -0.000 0.000 0.299 350 H C 2.405 177.253 175.328 -0.800 0.000 1.070 350 H CA 0.712 56.515 56.048 -0.409 0.000 1.356 350 H CB -0.359 29.163 29.762 -0.400 0.000 1.401 350 H HN 0.368 nan 8.280 nan 0.000 0.524 351 A N 0.930 123.570 122.820 -0.300 0.000 1.917 351 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 351 A C 1.883 179.416 177.584 -0.086 0.000 1.182 351 A CA 1.703 53.649 52.037 -0.152 0.000 0.633 351 A CB -0.970 17.971 19.000 -0.098 0.000 0.819 351 A HN 0.337 nan 8.150 nan 0.000 0.448 352 F N 0.689 120.556 119.950 -0.139 0.000 2.186 352 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 352 F C 2.998 178.792 175.800 -0.009 0.000 1.090 352 F CA 1.908 59.891 58.000 -0.029 0.000 1.307 352 F CB -0.713 38.237 39.000 -0.084 0.000 1.019 352 F HN 0.397 nan 8.300 nan 0.000 0.489 353 T N -2.101 112.435 114.554 -0.031 0.000 2.867 353 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 353 T C 2.000 176.852 174.700 0.255 0.000 1.057 353 T CA 1.127 63.246 62.100 0.032 0.000 1.136 353 T CB -1.161 67.692 68.868 -0.024 0.000 0.874 353 T HN 0.313 nan 8.240 nan 0.000 0.466 354 F N 0.109 120.112 119.950 0.087 0.000 2.146 354 F HA 0.091 4.618 4.527 -0.000 0.000 0.298 354 F C 2.111 177.842 175.800 -0.115 0.000 1.096 354 F CA 0.465 58.465 58.000 0.002 0.000 1.275 354 F CB -0.411 38.587 39.000 -0.004 0.000 1.008 354 F HN 0.100 nan 8.300 nan 0.000 0.480 355 F N 0.544 120.422 119.950 -0.120 0.000 2.365 355 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 355 F C 2.004 177.665 175.800 -0.232 0.000 1.090 355 F CA 0.992 58.709 58.000 -0.470 0.000 1.408 355 F CB -0.780 37.501 39.000 -1.199 0.000 1.060 355 F HN -0.084 nan 8.300 nan 0.000 0.534 356 N N 0.248 119.104 118.700 0.259 0.000 2.459 356 N HA -0.061 4.679 4.740 -0.000 0.000 0.181 356 N C 1.613 177.279 175.510 0.261 0.000 1.046 356 N CA 0.898 54.224 53.050 0.461 0.000 0.904 356 N CB -0.119 38.615 38.487 0.413 0.000 0.964 356 N HN 0.149 nan 8.380 nan 0.000 0.444 357 A N -0.249 122.667 122.820 0.160 0.000 2.238 357 A HA 0.197 4.517 4.320 -0.000 0.000 0.208 357 A C 0.565 178.181 177.584 0.054 0.000 1.177 357 A CA -0.149 51.944 52.037 0.094 0.000 0.804 357 A CB -0.211 18.820 19.000 0.051 0.000 0.823 357 A HN 0.212 nan 8.150 nan 0.000 0.482 358 L N 0.265 121.517 121.223 0.048 0.000 2.426 358 L HA 0.369 4.709 4.340 -0.000 0.000 0.271 358 L C 1.194 178.144 176.870 0.134 0.000 1.169 358 L CA -0.410 54.437 54.840 0.011 0.000 0.836 358 L CB 0.685 42.671 42.059 -0.122 0.000 1.112 358 L HN 0.321 nan 8.230 nan 0.000 0.465 359 G N 0.556 109.415 108.800 0.099 0.000 2.562 359 G HA2 0.092 4.052 3.960 -0.000 0.000 0.275 359 G HA3 0.092 4.052 3.960 -0.000 0.000 0.275 359 G C 0.275 175.298 174.900 0.205 0.000 1.196 359 G CA -0.410 44.771 45.100 0.135 0.000 0.908 359 G HN 0.692 nan 8.290 nan 0.000 0.524 360 D N -0.843 119.668 120.400 0.185 0.000 2.178 360 D HA -0.059 4.581 4.640 -0.000 0.000 0.202 360 D C 1.003 177.414 176.300 0.185 0.000 0.974 360 D CA 0.848 54.969 54.000 0.201 0.000 0.841 360 D CB 0.256 41.138 40.800 0.136 0.000 0.953 360 D HN 0.584 nan 8.370 nan 0.000 0.478 361 E N 0.758 121.037 120.200 0.132 0.000 2.152 361 E HA 0.159 4.509 4.350 -0.000 0.000 0.285 361 E C -0.820 175.835 176.600 0.092 0.000 1.043 361 E CA -0.551 55.909 56.400 0.101 0.000 0.839 361 E CB 0.538 30.279 29.700 0.069 0.000 1.069 361 E HN -0.111 nan 8.360 nan 0.000 0.399 362 L N 6.421 127.703 121.223 0.099 0.000 2.261 362 L HA 0.192 4.532 4.340 -0.000 0.000 0.289 362 L C -0.013 176.888 176.870 0.052 0.000 1.059 362 L CA 0.231 55.119 54.840 0.079 0.000 0.816 362 L CB 0.746 42.874 42.059 0.115 0.000 1.191 362 L HN 0.807 nan 8.230 nan 0.000 0.431 363 L N 5.162 126.411 121.223 0.043 0.000 2.316 363 L HA 0.227 4.567 4.340 -0.000 0.000 0.207 363 L C -0.477 176.471 176.870 0.129 0.000 1.070 363 L CA 0.099 54.975 54.840 0.060 0.000 0.820 363 L CB 0.075 42.154 42.059 0.034 0.000 0.992 363 L HN 0.602 nan 8.230 nan 0.000 0.466 364 Y N -0.378 119.891 120.300 -0.051 0.000 2.573 364 Y HA 0.515 5.065 4.550 -0.000 0.000 0.328 364 Y C -1.132 174.732 175.900 -0.061 0.000 1.170 364 Y CA -1.235 56.832 58.100 -0.055 0.000 1.078 364 Y CB 1.287 39.702 38.460 -0.076 0.000 1.341 364 Y HN -0.137 nan 8.280 nan 0.000 0.459 365 R N 3.625 123.717 120.500 -0.679 0.000 2.604 365 R HA 0.496 4.836 4.340 -0.000 0.000 0.270 365 R C -2.028 173.891 176.300 -0.635 0.000 1.052 365 R CA -0.407 55.437 56.100 -0.426 0.000 0.902 365 R CB 1.704 31.902 30.300 -0.170 0.000 1.233 365 R HN 0.891 nan 8.270 nan 0.000 0.455 366 D N 1.087 121.301 120.400 -0.310 0.000 2.895 366 D HA 0.214 4.854 4.640 -0.000 0.000 0.320 366 D C 0.702 176.976 176.300 -0.043 0.000 1.249 366 D CA -0.386 53.504 54.000 -0.183 0.000 0.997 366 D CB 0.047 40.771 40.800 -0.127 0.000 1.430 366 D HN 0.448 nan 8.370 nan 0.000 0.558 367 G N -1.297 107.496 108.800 -0.012 0.000 2.708 367 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.210 367 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.210 367 G C 0.610 175.520 174.900 0.016 0.000 1.141 367 G CA 0.369 45.519 45.100 0.082 0.000 0.788 367 G HN 0.493 nan 8.290 nan 0.000 0.531 368 E N -1.222 118.750 120.200 -0.380 0.000 2.676 368 E HA 0.273 4.622 4.350 -0.000 0.000 0.225 368 E C 0.387 176.057 176.600 -1.550 0.000 0.944 368 E CA -0.166 55.617 56.400 -1.029 0.000 1.156 368 E CB 0.545 29.928 29.700 -0.528 0.000 1.117 368 E HN 0.554 nan 8.360 nan 0.000 0.523 369 M N -0.693 118.266 119.600 -1.068 0.000 2.643 369 M HA 0.494 4.974 4.480 -0.000 0.000 0.276 369 M C -2.189 173.974 176.300 -0.229 0.000 1.200 369 M CA -0.868 53.985 55.300 -0.744 0.000 0.863 369 M CB 2.232 34.616 32.600 -0.360 0.000 1.711 369 M HN -0.036 nan 8.290 nan 0.000 0.492 370 I N 2.441 122.953 120.570 -0.097 0.000 2.569 370 I HA 0.746 4.916 4.170 -0.000 0.000 0.290 370 I C -1.835 174.206 176.117 -0.128 0.000 1.088 370 I CA -0.843 60.414 61.300 -0.071 0.000 1.047 370 I CB 2.142 40.072 38.000 -0.118 0.000 1.237 370 I HN 0.664 nan 8.210 nan 0.000 0.421 371 V N 5.600 125.479 119.914 -0.059 0.000 2.540 371 V HA 0.670 4.790 4.120 -0.000 0.000 0.302 371 V C -0.077 175.976 176.094 -0.068 0.000 1.035 371 V CA -0.378 61.882 62.300 -0.067 0.000 0.873 371 V CB 1.829 33.642 31.823 -0.017 0.000 0.992 371 V HN 0.832 nan 8.190 nan 0.000 0.428 372 T N 1.795 116.297 114.554 -0.087 0.000 2.901 372 T HA 0.828 5.178 4.350 -0.000 0.000 0.293 372 T C -0.763 173.927 174.700 -0.017 0.000 1.084 372 T CA -1.000 61.073 62.100 -0.044 0.000 1.008 372 T CB 2.486 71.321 68.868 -0.055 0.000 1.170 372 T HN 0.665 nan 8.240 nan 0.000 0.509 373 R N 0.383 120.892 120.500 0.016 0.000 2.494 373 R HA 0.699 5.039 4.340 -0.000 0.000 0.305 373 R C -0.637 175.694 176.300 0.052 0.000 0.959 373 R CA -0.660 55.456 56.100 0.028 0.000 0.864 373 R CB 1.183 31.497 30.300 0.023 0.000 1.159 373 R HN 0.700 nan 8.270 nan 0.000 0.446 374 R N 2.318 122.853 120.500 0.058 0.000 2.543 374 R HA 0.280 4.620 4.340 -0.000 0.000 0.268 374 R C 0.750 177.091 176.300 0.069 0.000 1.067 374 R CA -0.537 55.603 56.100 0.068 0.000 1.142 374 R CB 0.688 31.027 30.300 0.065 0.000 1.110 374 R HN 0.614 nan 8.270 nan 0.000 0.549 375 K N 0.853 121.292 120.400 0.065 0.000 2.063 375 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 375 K C 1.117 177.752 176.600 0.058 0.000 1.048 375 K CA 1.980 58.302 56.287 0.058 0.000 0.928 375 K CB -0.035 32.496 32.500 0.052 0.000 0.713 375 K HN 0.674 nan 8.250 nan 0.000 0.442 376 D N -1.231 119.203 120.400 0.056 0.000 2.392 376 D HA -0.054 4.586 4.640 -0.000 0.000 0.228 376 D C 1.071 177.422 176.300 0.086 0.000 1.003 376 D CA 1.124 55.155 54.000 0.053 0.000 0.917 376 D CB 0.090 40.910 40.800 0.032 0.000 0.890 376 D HN 0.352 nan 8.370 nan 0.000 0.532 377 G N -0.294 108.576 108.800 0.118 0.000 2.213 377 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.236 377 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.236 377 G C 0.418 175.482 174.900 0.273 0.000 0.991 377 G CA 0.354 45.574 45.100 0.200 0.000 0.629 377 G HN 0.861 nan 8.290 nan 0.000 0.517 378 S N 0.806 116.629 115.700 0.205 0.000 2.593 378 S HA 0.711 5.181 4.470 -0.000 0.000 0.269 378 S C 0.303 174.967 174.600 0.107 0.000 1.334 378 S CA -0.538 57.783 58.200 0.201 0.000 1.015 378 S CB 1.543 64.817 63.200 0.124 0.000 0.912 378 S HN 0.474 nan 8.310 nan 0.000 0.541 379 I N 1.408 122.022 120.570 0.074 0.000 2.412 379 I HA 0.581 4.751 4.170 -0.000 0.000 0.296 379 I C 0.227 176.327 176.117 -0.029 0.000 0.987 379 I CA -0.704 60.596 61.300 0.001 0.000 1.180 379 I CB 0.948 38.926 38.000 -0.037 0.000 1.340 379 I HN 0.938 nan 8.210 nan 0.000 0.455 380 A N 5.267 128.054 122.820 -0.056 0.000 2.343 380 A HA 0.880 5.200 4.320 -0.000 0.000 0.308 380 A C -0.578 176.918 177.584 -0.147 0.000 1.092 380 A CA -0.496 51.482 52.037 -0.098 0.000 0.751 380 A CB 1.415 20.366 19.000 -0.081 0.000 1.203 380 A HN 0.811 nan 8.150 nan 0.000 0.452 381 A N 1.792 124.506 122.820 -0.176 0.000 2.374 381 A HA 0.777 5.097 4.320 -0.000 0.000 0.317 381 A C -0.855 176.583 177.584 -0.242 0.000 1.094 381 A CA -0.517 51.399 52.037 -0.202 0.000 0.765 381 A CB 1.431 20.331 19.000 -0.168 0.000 1.268 381 A HN 1.165 nan 8.150 nan 0.000 0.438 382 V N 3.009 122.765 119.914 -0.264 0.000 2.495 382 V HA 0.554 4.674 4.120 -0.000 0.000 0.298 382 V C -0.399 175.681 176.094 -0.023 0.000 1.031 382 V CA -0.341 61.851 62.300 -0.180 0.000 0.871 382 V CB 1.170 32.735 31.823 -0.431 0.000 0.988 382 V HN 0.742 nan 8.190 nan 0.000 0.432 383 L N 3.991 125.227 121.223 0.021 0.000 2.371 383 L HA 0.765 5.105 4.340 -0.000 0.000 0.262 383 L C -1.178 175.778 176.870 0.144 0.000 1.006 383 L CA -0.561 54.200 54.840 -0.132 0.000 0.818 383 L CB 2.303 44.248 42.059 -0.191 0.000 1.354 383 L HN 0.924 nan 8.230 nan 0.000 0.415 384 W N 0.404 121.725 121.300 0.035 0.000 3.217 384 W HA 0.484 5.144 4.660 -0.000 0.000 0.323 384 W C -1.195 175.353 176.519 0.048 0.000 1.216 384 W CA -0.779 56.606 57.345 0.067 0.000 1.194 384 W CB 1.223 30.740 29.460 0.095 0.000 1.397 384 W HN 0.495 nan 8.180 nan 0.000 0.537 385 N N 3.365 122.196 118.700 0.218 0.000 2.841 385 N HA 0.224 4.964 4.740 -0.000 0.000 0.257 385 N C -1.431 174.187 175.510 0.180 0.000 1.396 385 N CA -0.579 52.546 53.050 0.124 0.000 0.823 385 N CB 0.556 39.085 38.487 0.070 0.000 1.162 385 N HN 0.649 nan 8.380 nan 0.000 0.503 386 L N 3.383 124.753 121.223 0.245 0.000 2.477 386 L HA 0.221 4.561 4.340 -0.000 0.000 0.272 386 L C -1.058 175.889 176.870 0.127 0.000 1.157 386 L CA 0.374 55.332 54.840 0.197 0.000 0.889 386 L CB 0.797 42.973 42.059 0.195 0.000 1.158 386 L HN 0.105 nan 8.230 nan 0.000 0.473 387 V N 7.428 127.411 119.914 0.115 0.000 2.419 387 V HA 0.236 4.356 4.120 -0.000 0.000 0.287 387 V C 0.795 176.942 176.094 0.089 0.000 1.017 387 V CA -0.320 62.032 62.300 0.086 0.000 0.844 387 V CB 1.281 33.146 31.823 0.070 0.000 1.011 387 V HN 0.903 nan 8.190 nan 0.000 0.429 388 M N 1.603 121.255 119.600 0.086 0.000 2.541 388 M HA 0.148 4.628 4.480 -0.000 0.000 0.252 388 M C 0.728 177.066 176.300 0.063 0.000 1.125 388 M CA 0.546 55.901 55.300 0.091 0.000 1.091 388 M CB 0.212 32.877 32.600 0.108 0.000 1.420 388 M HN 0.688 nan 8.290 nan 0.000 0.486 389 E N 1.065 121.295 120.200 0.050 0.000 2.319 389 E HA 0.154 4.504 4.350 -0.000 0.000 0.268 389 E C 0.011 176.630 176.600 0.032 0.000 1.050 389 E CA -0.276 56.145 56.400 0.035 0.000 0.878 389 E CB 0.851 30.568 29.700 0.028 0.000 1.066 389 E HN 0.145 nan 8.360 nan 0.000 0.406 390 K N 1.267 121.681 120.400 0.023 0.000 2.362 390 K HA -0.087 4.233 4.320 -0.000 0.000 0.200 390 K C 1.427 178.039 176.600 0.019 0.000 1.046 390 K CA 0.720 57.019 56.287 0.020 0.000 0.952 390 K CB -0.551 31.956 32.500 0.011 0.000 0.753 390 K HN 0.752 nan 8.250 nan 0.000 0.466 391 G N 1.927 110.738 108.800 0.018 0.000 3.304 391 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.859 391 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.859 391 G C 0.485 175.394 174.900 0.015 0.000 0.958 391 G CA 1.520 46.629 45.100 0.016 0.000 0.765 391 G HN 0.478 nan 8.290 nan 0.000 1.149 392 E N -3.384 116.827 120.200 0.017 0.000 0.408 392 E HA 0.052 4.402 4.350 -0.000 0.000 0.133 392 E C 1.170 177.777 176.600 0.012 0.000 2.513 392 E CA 0.373 56.781 56.400 0.012 0.000 1.486 392 E CB -0.900 28.803 29.700 0.006 0.000 0.497 392 E HN 1.179 nan 8.360 nan 0.000 0.896 393 G N 2.162 110.966 108.800 0.006 0.000 3.211 393 G HA2 0.244 4.204 3.960 -0.000 0.000 0.235 393 G HA3 0.244 4.204 3.960 -0.000 0.000 0.235 393 G C 0.299 175.205 174.900 0.009 0.000 1.032 393 G CA 0.051 45.154 45.100 0.005 0.000 1.819 393 G HN 0.126 nan 8.290 nan 0.000 0.590 394 L N 1.533 122.766 121.223 0.016 0.000 2.400 394 L HA 0.123 4.463 4.340 -0.000 0.000 0.262 394 L C 0.921 177.802 176.870 0.020 0.000 1.309 394 L CA 0.147 54.998 54.840 0.018 0.000 1.186 394 L CB 0.081 42.155 42.059 0.025 0.000 1.375 394 L HN 0.028 nan 8.230 nan 0.000 0.433 395 T N 1.919 116.480 114.554 0.013 0.000 2.767 395 T HA 0.319 4.669 4.350 -0.000 0.000 0.288 395 T C -0.109 174.593 174.700 0.003 0.000 0.963 395 T CA -0.532 61.575 62.100 0.011 0.000 1.019 395 T CB 0.891 69.764 68.868 0.008 0.000 0.923 395 T HN 0.215 nan 8.240 nan 0.000 0.468 396 K N 2.976 123.377 120.400 0.001 0.000 2.156 396 K HA 0.480 4.800 4.320 -0.000 0.000 0.250 396 K C -0.551 176.038 176.600 -0.019 0.000 0.955 396 K CA -0.603 55.677 56.287 -0.011 0.000 0.855 396 K CB 1.112 33.602 32.500 -0.016 0.000 1.101 396 K HN 0.347 nan 8.250 nan 0.000 0.434 397 E N 2.163 122.346 120.200 -0.028 0.000 2.199 397 E HA 0.402 4.752 4.350 -0.000 0.000 0.269 397 E C -1.299 175.271 176.600 -0.050 0.000 0.899 397 E CA -0.814 55.565 56.400 -0.034 0.000 0.772 397 E CB 1.982 31.665 29.700 -0.028 0.000 1.155 397 E HN 0.387 nan 8.360 nan 0.000 0.408 398 V N 3.101 122.978 119.914 -0.060 0.000 2.604 398 V HA 0.289 4.408 4.120 -0.000 0.000 0.305 398 V C -0.566 175.483 176.094 -0.075 0.000 1.043 398 V CA -0.834 61.419 62.300 -0.080 0.000 0.888 398 V CB 2.034 33.793 31.823 -0.108 0.000 0.995 398 V HN 0.568 nan 8.190 nan 0.000 0.429 399 Q N 3.505 123.258 119.800 -0.078 0.000 2.348 399 Q HA 0.569 4.909 4.340 -0.000 0.000 0.265 399 Q C -1.361 174.577 176.000 -0.102 0.000 0.998 399 Q CA -0.335 55.429 55.803 -0.066 0.000 0.831 399 Q CB 1.577 30.293 28.738 -0.038 0.000 1.251 399 Q HN 0.452 nan 8.270 nan 0.000 0.456 400 L N 4.036 125.192 121.223 -0.111 0.000 2.280 400 L HA 0.471 4.811 4.340 -0.000 0.000 0.287 400 L C -0.914 175.855 176.870 -0.168 0.000 1.023 400 L CA -0.541 54.199 54.840 -0.166 0.000 0.819 400 L CB 1.593 43.548 42.059 -0.172 0.000 1.212 400 L HN 0.421 nan 8.230 nan 0.000 0.420 401 V N 5.683 125.471 119.914 -0.210 0.000 2.318 401 V HA 0.398 4.518 4.120 -0.000 0.000 0.271 401 V C 0.346 176.278 176.094 -0.269 0.000 1.030 401 V CA -0.441 61.684 62.300 -0.292 0.000 0.844 401 V CB 1.414 33.076 31.823 -0.268 0.000 1.015 401 V HN 0.384 nan 8.190 nan 0.000 0.460 402 I N 7.785 128.195 120.570 -0.267 0.000 2.355 402 I HA 0.404 4.574 4.170 -0.000 0.000 0.288 402 I C -2.330 173.652 176.117 -0.224 0.000 0.999 402 I CA -2.369 58.799 61.300 -0.219 0.000 1.163 402 I CB 2.084 39.973 38.000 -0.185 0.000 1.316 402 I HN 0.353 nan 8.210 nan 0.000 0.454 403 P HA 0.233 nan 4.420 nan 0.000 0.276 403 P C -0.582 176.563 177.300 -0.259 0.000 1.230 403 P CA -0.179 62.802 63.100 -0.200 0.000 0.776 403 P CB 2.120 33.725 31.700 -0.158 0.000 0.888 404 V N 2.755 122.496 119.914 -0.288 0.000 2.781 404 V HA 0.008 4.128 4.120 -0.000 0.000 0.289 404 V C 1.337 177.210 176.094 -0.369 0.000 1.275 404 V CA -0.050 61.964 62.300 -0.476 0.000 0.936 404 V CB 1.747 33.276 31.823 -0.489 0.000 1.074 404 V HN 0.672 nan 8.190 nan 0.000 0.444 405 S N 5.274 120.735 115.700 -0.398 0.000 2.423 405 S HA -0.089 4.381 4.470 -0.000 0.000 0.231 405 S C 1.637 176.271 174.600 0.057 0.000 1.014 405 S CA 1.087 59.212 58.200 -0.124 0.000 0.965 405 S CB -0.360 62.816 63.200 -0.039 0.000 0.785 405 S HN 0.635 nan 8.310 nan 0.000 0.495 406 F N 3.348 123.293 119.950 -0.009 0.000 2.052 406 F HA -0.201 4.326 4.527 -0.000 0.000 0.297 406 F C 2.696 178.496 175.800 -0.001 0.000 1.166 406 F CA 0.831 58.829 58.000 -0.003 0.000 1.218 406 F CB -1.651 37.348 39.000 -0.000 0.000 0.943 406 F HN 0.622 nan 8.300 nan 0.000 0.521 407 S N -2.495 113.328 115.700 0.205 0.000 1.251 407 S HA -0.083 4.387 4.470 -0.000 0.000 0.252 407 S C 0.178 174.838 174.600 0.100 0.000 0.605 407 S CA 0.228 58.494 58.200 0.110 0.000 1.009 407 S CB -1.973 61.278 63.200 0.085 0.000 0.989 407 S HN 1.269 nan 8.310 nan 0.000 0.488 408 A N 1.294 124.185 122.820 0.117 0.000 2.355 408 A HA 0.880 5.200 4.320 -0.000 0.000 0.317 408 A C -0.621 177.042 177.584 0.131 0.000 1.094 408 A CA -0.137 51.957 52.037 0.096 0.000 0.764 408 A CB 2.295 21.329 19.000 0.057 0.000 1.230 408 A HN 1.280 nan 8.150 nan 0.000 0.448 409 V N 2.250 122.243 119.914 0.131 0.000 2.789 409 V HA 0.581 4.701 4.120 -0.000 0.000 0.311 409 V C -1.404 174.788 176.094 0.163 0.000 1.073 409 V CA -0.516 61.883 62.300 0.164 0.000 0.921 409 V CB 1.917 33.846 31.823 0.177 0.000 1.009 409 V HN 0.860 nan 8.190 nan 0.000 0.426 410 F N 6.444 126.397 119.950 0.006 0.000 2.415 410 F HA 0.719 5.246 4.527 -0.000 0.000 0.348 410 F C -0.423 175.369 175.800 -0.014 0.000 1.119 410 F CA -0.624 57.367 58.000 -0.016 0.000 1.069 410 F CB 0.957 39.936 39.000 -0.035 0.000 1.124 410 F HN 0.319 nan 8.300 nan 0.000 0.472 411 I N 6.497 126.638 120.570 -0.715 0.000 2.406 411 I HA 0.342 4.512 4.170 -0.000 0.000 0.290 411 I C -0.728 174.892 176.117 -0.829 0.000 0.999 411 I CA -0.759 60.197 61.300 -0.574 0.000 1.124 411 I CB 1.780 39.600 38.000 -0.299 0.000 1.289 411 I HN 0.503 nan 8.210 nan 0.000 0.441 412 K N 6.935 126.967 120.400 -0.613 0.000 2.323 412 K HA 0.556 4.876 4.320 -0.000 0.000 0.259 412 K C -0.943 175.482 176.600 -0.292 0.000 0.947 412 K CA -0.755 55.265 56.287 -0.445 0.000 0.819 412 K CB 1.684 34.021 32.500 -0.272 0.000 1.109 412 K HN 0.582 nan 8.250 nan 0.000 0.429 413 R N 3.478 123.824 120.500 -0.258 0.000 2.534 413 R HA 0.250 4.590 4.340 -0.000 0.000 0.301 413 R C -1.160 175.002 176.300 -0.231 0.000 0.961 413 R CA -0.478 55.481 56.100 -0.236 0.000 0.871 413 R CB 1.463 31.651 30.300 -0.187 0.000 1.170 413 R HN 0.613 nan 8.270 nan 0.000 0.446 414 Q N 4.352 123.974 119.800 -0.296 0.000 2.333 414 Q HA 0.479 4.819 4.340 -0.000 0.000 0.267 414 Q C -0.833 175.061 176.000 -0.177 0.000 1.012 414 Q CA -0.714 54.942 55.803 -0.245 0.000 0.824 414 Q CB 2.811 31.383 28.738 -0.277 0.000 1.290 414 Q HN 0.530 nan 8.270 nan 0.000 0.449 415 I N 2.084 122.690 120.570 0.060 0.000 2.466 415 I HA 0.432 4.602 4.170 -0.000 0.000 0.289 415 I C -0.812 175.497 176.117 0.319 0.000 1.026 415 I CA -1.059 60.355 61.300 0.190 0.000 1.078 415 I CB 2.033 40.138 38.000 0.176 0.000 1.249 415 I HN 0.258 nan 8.210 nan 0.000 0.429 416 V N 6.922 127.072 119.914 0.392 0.000 2.495 416 V HA 0.539 4.659 4.120 -0.000 0.000 0.298 416 V C -0.202 176.061 176.094 0.281 0.000 1.031 416 V CA -0.432 62.061 62.300 0.321 0.000 0.871 416 V CB 1.528 33.522 31.823 0.284 0.000 0.988 416 V HN 1.015 nan 8.190 nan 0.000 0.432 417 N N 2.277 121.125 118.700 0.247 0.000 3.587 417 N HA 0.324 5.064 4.740 -0.000 0.000 0.339 417 N C -0.043 175.544 175.510 0.128 0.000 1.636 417 N CA -0.728 52.429 53.050 0.180 0.000 0.788 417 N CB 1.264 39.849 38.487 0.162 0.000 2.205 417 N HN 0.276 nan 8.380 nan 0.000 0.600 418 E N -0.074 120.174 120.200 0.079 0.000 2.347 418 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 418 E C 1.199 177.796 176.600 -0.006 0.000 1.008 418 E CA 0.995 57.434 56.400 0.065 0.000 0.852 418 E CB 0.105 29.841 29.700 0.059 0.000 0.783 418 E HN 0.571 nan 8.360 nan 0.000 0.505 419 Q N -0.834 118.902 119.800 -0.107 0.000 2.390 419 Q HA 0.039 4.379 4.340 -0.000 0.000 0.216 419 Q C -0.109 175.723 176.000 -0.280 0.000 0.916 419 Q CA 0.245 55.865 55.803 -0.306 0.000 0.911 419 Q CB 0.584 28.946 28.738 -0.626 0.000 1.035 419 Q HN 0.171 nan 8.270 nan 0.000 0.541 420 Y N -1.356 118.970 120.300 0.044 0.000 2.468 420 Y HA 0.457 5.007 4.550 -0.000 0.000 0.342 420 Y C 0.866 176.827 175.900 0.101 0.000 1.021 420 Y CA -0.557 57.578 58.100 0.059 0.000 1.079 420 Y CB 2.244 40.737 38.460 0.055 0.000 1.226 420 Y HN 0.236 nan 8.280 nan 0.000 0.460 421 G N 2.103 111.077 108.800 0.290 0.000 2.203 421 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.263 421 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.263 421 G C -0.324 174.720 174.900 0.241 0.000 1.012 421 G CA 0.510 45.738 45.100 0.213 0.000 0.749 421 G HN 0.746 nan 8.290 nan 0.000 0.512 422 N N -0.436 118.382 118.700 0.196 0.000 2.804 422 N HA 0.619 5.359 4.740 -0.000 0.000 0.251 422 N C 1.379 176.964 175.510 0.126 0.000 1.250 422 N CA 0.313 53.459 53.050 0.161 0.000 0.820 422 N CB 0.259 38.834 38.487 0.145 0.000 1.156 422 N HN 0.300 nan 8.380 nan 0.000 0.512 423 A N 1.901 124.798 122.820 0.127 0.000 2.015 423 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 423 A C 1.816 179.407 177.584 0.012 0.000 1.163 423 A CA 0.635 52.762 52.037 0.150 0.000 0.646 423 A CB -0.659 18.527 19.000 0.311 0.000 0.806 423 A HN 0.903 nan 8.150 nan 0.000 0.448 424 W N 1.033 122.020 121.300 -0.521 0.000 2.338 424 W HA -0.236 4.424 4.660 -0.000 0.000 0.304 424 W C 2.311 178.779 176.519 -0.086 0.000 1.212 424 W CA 2.103 59.033 57.345 -0.691 0.000 1.264 424 W CB -0.215 28.793 29.460 -0.754 0.000 1.142 424 W HN 0.330 nan 8.180 nan 0.000 0.512 425 R N -0.002 120.440 120.500 -0.096 0.000 2.073 425 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 425 R C 1.949 178.158 176.300 -0.152 0.000 1.134 425 R CA 2.439 58.402 56.100 -0.228 0.000 0.952 425 R CB -0.843 29.414 30.300 -0.071 0.000 0.850 425 R HN 0.169 nan 8.270 nan 0.000 0.433 426 V N 0.054 119.954 119.914 -0.024 0.000 2.343 426 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 426 V C 1.964 178.092 176.094 0.056 0.000 1.051 426 V CA 1.878 64.190 62.300 0.019 0.000 1.036 426 V CB -0.807 31.064 31.823 0.080 0.000 0.654 426 V HN 0.584 nan 8.190 nan 0.000 0.451 427 W N 1.715 122.985 121.300 -0.049 0.000 2.318 427 W HA -0.242 4.418 4.660 0.000 0.000 0.313 427 W C 2.406 178.874 176.519 -0.086 0.000 1.221 427 W CA 2.148 59.504 57.345 0.017 0.000 1.266 427 W CB -0.189 29.413 29.460 0.237 0.000 1.150 427 W HN 0.119 nan 8.180 nan 0.000 0.496 428 K N -0.128 120.050 120.400 -0.369 0.000 2.097 428 K HA -0.212 4.108 4.320 -0.000 0.000 0.206 428 K C 2.042 178.417 176.600 -0.374 0.000 1.049 428 K CA 1.802 57.751 56.287 -0.563 0.000 0.933 428 K CB -0.569 31.596 32.500 -0.559 0.000 0.717 428 K HN 0.354 nan 8.250 nan 0.000 0.442 429 Q N 0.477 120.129 119.800 -0.247 0.000 2.181 429 Q HA -0.065 4.275 4.340 -0.000 0.000 0.205 429 Q C 1.867 177.774 176.000 -0.156 0.000 0.980 429 Q CA 1.310 57.012 55.803 -0.168 0.000 0.862 429 Q CB -0.101 28.573 28.738 -0.107 0.000 0.905 429 Q HN 0.335 nan 8.270 nan 0.000 0.429 430 M N -1.076 118.424 119.600 -0.166 0.000 2.686 430 M HA 0.023 4.503 4.480 -0.000 0.000 0.246 430 M C 0.765 176.946 176.300 -0.199 0.000 1.096 430 M CA 0.865 56.081 55.300 -0.141 0.000 1.076 430 M CB 0.349 32.902 32.600 -0.078 0.000 1.504 430 M HN 0.438 nan 8.290 nan 0.000 0.524 431 G N 1.293 109.925 108.800 -0.280 0.000 2.131 431 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.223 431 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.223 431 G C 0.070 174.718 174.900 -0.421 0.000 0.990 431 G CA -0.143 44.791 45.100 -0.277 0.000 0.671 431 G HN 0.519 nan 8.290 nan 0.000 0.521 432 R N -1.608 118.420 120.500 -0.787 0.000 3.188 432 R HA -0.158 4.182 4.340 -0.000 0.000 0.247 432 R C -2.084 173.890 176.300 -0.542 0.000 0.918 432 R CA 0.836 56.107 56.100 -1.382 0.000 0.629 432 R CB -1.762 27.843 30.300 -1.159 0.000 1.087 432 R HN 0.557 nan 8.270 nan 0.000 0.462 433 P HA -0.035 nan 4.420 nan 0.000 0.268 433 P C 0.254 177.674 177.300 0.201 0.000 1.204 433 P CA 0.151 63.255 63.100 0.006 0.000 0.768 433 P CB 0.656 32.392 31.700 0.060 0.000 0.842 434 R N 1.930 122.364 120.500 -0.110 0.000 2.073 434 R HA 0.038 4.378 4.340 -0.000 0.000 0.229 434 R C 0.395 176.331 176.300 -0.607 0.000 1.120 434 R CA 1.361 57.167 56.100 -0.490 0.000 0.967 434 R CB -0.144 29.453 30.300 -1.173 0.000 0.862 434 R HN 0.509 nan 8.270 nan 0.000 0.436 435 F N 1.404 121.451 119.950 0.162 0.000 2.660 435 F HA 0.355 4.882 4.527 -0.000 0.000 0.352 435 F C -2.145 173.714 175.800 0.099 0.000 1.257 435 F CA -2.359 55.712 58.000 0.119 0.000 1.200 435 F CB 0.797 39.847 39.000 0.083 0.000 1.473 435 F HN -0.159 nan 8.300 nan 0.000 0.561 436 P HA 0.199 nan 4.420 nan 0.000 0.272 436 P C 0.138 177.475 177.300 0.063 0.000 1.230 436 P CA -0.363 62.802 63.100 0.109 0.000 0.788 436 P CB 0.946 32.692 31.700 0.076 0.000 0.949 437 S N 1.127 116.855 115.700 0.047 0.000 2.617 437 S HA 0.164 4.634 4.470 -0.000 0.000 0.259 437 S C 1.285 175.872 174.600 -0.022 0.000 1.301 437 S CA -0.467 57.748 58.200 0.026 0.000 0.984 437 S CB 0.593 63.811 63.200 0.030 0.000 0.954 437 S HN 0.337 nan 8.310 nan 0.000 0.572 438 R N 0.740 121.232 120.500 -0.013 0.000 2.091 438 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 438 R C 2.624 178.911 176.300 -0.022 0.000 1.136 438 R CA 2.119 58.202 56.100 -0.028 0.000 0.959 438 R CB -0.546 29.756 30.300 0.004 0.000 0.856 438 R HN 0.755 nan 8.270 nan 0.000 0.437 439 Q N 0.306 120.106 119.800 -0.001 0.000 2.046 439 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 439 Q C 2.326 178.333 176.000 0.011 0.000 0.975 439 Q CA 1.411 57.219 55.803 0.008 0.000 0.836 439 Q CB -0.255 28.492 28.738 0.015 0.000 0.896 439 Q HN 0.346 nan 8.270 nan 0.000 0.428 440 A N 0.965 123.793 122.820 0.012 0.000 1.917 440 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 440 A C 2.436 180.032 177.584 0.020 0.000 1.182 440 A CA 1.740 53.794 52.037 0.029 0.000 0.633 440 A CB -0.999 18.026 19.000 0.042 0.000 0.819 440 A HN 0.218 nan 8.150 nan 0.000 0.448 441 V N 0.085 119.972 119.914 -0.046 0.000 2.287 441 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 441 V C 2.410 178.491 176.094 -0.022 0.000 1.053 441 V CA 2.517 64.760 62.300 -0.095 0.000 1.027 441 V CB -1.033 30.609 31.823 -0.302 0.000 0.646 441 V HN 0.694 nan 8.190 nan 0.000 0.447 442 E N -0.131 120.066 120.200 -0.006 0.000 2.110 442 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 442 E C 2.262 178.885 176.600 0.038 0.000 0.988 442 E CA 1.802 58.214 56.400 0.019 0.000 0.804 442 E CB -0.409 29.304 29.700 0.021 0.000 0.745 442 E HN 0.591 nan 8.360 nan 0.000 0.458 443 T N 1.481 116.061 114.554 0.043 0.000 2.684 443 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 443 T C 1.908 176.659 174.700 0.086 0.000 1.036 443 T CA 0.979 63.115 62.100 0.061 0.000 1.148 443 T CB -0.252 68.651 68.868 0.058 0.000 0.863 443 T HN 0.093 nan 8.240 nan 0.000 0.436 444 L N 0.438 121.721 121.223 0.101 0.000 2.083 444 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 444 L C 2.857 179.804 176.870 0.130 0.000 1.083 444 L CA 1.283 56.212 54.840 0.149 0.000 0.752 444 L CB -0.517 41.657 42.059 0.192 0.000 0.899 444 L HN 0.179 nan 8.230 nan 0.000 0.433 445 R N 0.052 120.604 120.500 0.087 0.000 2.081 445 R HA -0.203 4.137 4.340 -0.000 0.000 0.235 445 R C 2.325 178.676 176.300 0.085 0.000 1.131 445 R CA 1.561 57.704 56.100 0.072 0.000 0.960 445 R CB -0.121 30.206 30.300 0.044 0.000 0.856 445 R HN 0.408 nan 8.270 nan 0.000 0.436 446 Q N -0.371 119.478 119.800 0.082 0.000 2.061 446 Q HA -0.150 4.189 4.340 -0.000 0.000 0.204 446 Q C 2.082 178.146 176.000 0.107 0.000 0.984 446 Q CA 1.856 57.710 55.803 0.086 0.000 0.846 446 Q CB 0.049 28.833 28.738 0.076 0.000 0.902 446 Q HN 0.230 nan 8.270 nan 0.000 0.421 447 V N 0.343 120.328 119.914 0.118 0.000 2.667 447 V HA -0.165 3.955 4.120 -0.000 0.000 0.252 447 V C 1.926 178.118 176.094 0.163 0.000 1.065 447 V CA 1.405 63.788 62.300 0.138 0.000 1.083 447 V CB -0.413 31.486 31.823 0.127 0.000 0.692 447 V HN 0.380 nan 8.190 nan 0.000 0.468 448 A N -1.164 121.757 122.820 0.169 0.000 2.172 448 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 448 A C 1.213 178.937 177.584 0.233 0.000 1.154 448 A CA 0.493 52.663 52.037 0.221 0.000 0.701 448 A CB -0.241 18.881 19.000 0.204 0.000 0.789 448 A HN 0.508 nan 8.150 nan 0.000 0.465 449 Q N 0.557 120.443 119.800 0.143 0.000 2.332 449 Q HA 0.274 4.614 4.340 -0.000 0.000 0.263 449 Q C -2.487 173.505 176.000 -0.013 0.000 0.979 449 Q CA -2.258 53.585 55.803 0.068 0.000 0.885 449 Q CB -0.132 28.654 28.738 0.080 0.000 1.218 449 Q HN 0.220 nan 8.270 nan 0.000 0.405 450 P HA -0.027 nan 4.420 nan 0.000 0.269 450 P C -0.291 177.028 177.300 0.031 0.000 1.209 450 P CA 0.019 63.095 63.100 -0.039 0.000 0.776 450 P CB 0.420 32.151 31.700 0.051 0.000 0.876 451 H N 1.708 120.711 119.070 -0.111 0.000 2.803 451 H HA 0.186 4.742 4.556 -0.000 0.000 0.330 451 H C -0.776 174.432 175.328 -0.200 0.000 1.057 451 H CA -0.058 55.816 56.048 -0.289 0.000 1.458 451 H CB 0.530 29.804 29.762 -0.812 0.000 1.470 451 H HN 0.062 nan 8.280 nan 0.000 0.560 452 V N 7.442 126.998 119.914 -0.596 0.000 2.459 452 V HA 0.306 4.426 4.120 -0.000 0.000 0.295 452 V C 0.120 175.896 176.094 -0.531 0.000 1.029 452 V CA -0.541 61.511 62.300 -0.414 0.000 0.874 452 V CB 1.604 33.291 31.823 -0.227 0.000 0.985 452 V HN 0.773 nan 8.190 nan 0.000 0.438 453 M N 3.715 123.120 119.600 -0.325 0.000 2.530 453 M HA 0.705 5.185 4.480 -0.000 0.000 0.307 453 M C -0.494 175.686 176.300 -0.199 0.000 1.161 453 M CA -0.328 54.834 55.300 -0.230 0.000 0.903 453 M CB 2.897 35.408 32.600 -0.148 0.000 1.711 453 M HN 0.855 nan 8.290 nan 0.000 0.451 454 T N -0.973 113.485 114.554 -0.160 0.000 2.900 454 T HA 0.819 5.169 4.350 -0.000 0.000 0.303 454 T C -1.287 173.319 174.700 -0.157 0.000 1.142 454 T CA -0.890 61.075 62.100 -0.225 0.000 1.007 454 T CB 2.373 71.177 68.868 -0.107 0.000 1.156 454 T HN 0.832 nan 8.240 nan 0.000 0.490 455 E N 0.938 120.997 120.200 -0.236 0.000 2.407 455 E HA 0.428 4.778 4.350 -0.000 0.000 0.279 455 E C -1.512 175.067 176.600 -0.034 0.000 1.012 455 E CA -1.004 55.344 56.400 -0.086 0.000 0.800 455 E CB 1.938 31.593 29.700 -0.076 0.000 1.276 455 E HN 0.742 nan 8.360 nan 0.000 0.452 456 Q N 1.971 121.807 119.800 0.062 0.000 2.271 456 Q HA 0.411 4.751 4.340 -0.000 0.000 0.258 456 Q C -1.131 174.893 176.000 0.040 0.000 0.936 456 Q CA -0.765 55.094 55.803 0.093 0.000 0.909 456 Q CB 1.526 30.331 28.738 0.110 0.000 1.253 456 Q HN 0.523 nan 8.270 nan 0.000 0.440 457 R N 2.444 122.967 120.500 0.038 0.000 2.561 457 R HA 0.404 4.744 4.340 -0.000 0.000 0.297 457 R C -1.057 175.268 176.300 0.041 0.000 0.969 457 R CA -0.795 55.321 56.100 0.027 0.000 0.879 457 R CB 0.973 31.278 30.300 0.008 0.000 1.178 457 R HN 0.552 nan 8.270 nan 0.000 0.445 458 R N 2.069 122.590 120.500 0.035 0.000 2.389 458 R HA 0.316 4.656 4.340 -0.000 0.000 0.295 458 R C -0.726 175.597 176.300 0.037 0.000 1.075 458 R CA -0.506 55.617 56.100 0.039 0.000 1.005 458 R CB 1.086 31.404 30.300 0.030 0.000 0.987 458 R HN 0.606 nan 8.270 nan 0.000 0.452 459 A N 2.436 125.281 122.820 0.041 0.000 2.277 459 A HA 0.318 4.638 4.320 -0.000 0.000 0.318 459 A C 0.117 177.710 177.584 0.016 0.000 1.339 459 A CA -0.544 51.508 52.037 0.024 0.000 0.875 459 A CB 0.881 19.888 19.000 0.012 0.000 1.158 459 A HN 0.598 nan 8.150 nan 0.000 0.514 460 T N 1.330 115.897 114.554 0.022 0.000 2.910 460 T HA 0.397 4.747 4.350 -0.000 0.000 0.293 460 T C 0.253 174.954 174.700 0.003 0.000 1.015 460 T CA 0.636 62.748 62.100 0.021 0.000 1.094 460 T CB -0.006 68.885 68.868 0.038 0.000 0.968 460 T HN 0.758 nan 8.240 nan 0.000 0.521 461 D N 2.055 122.454 120.400 -0.002 0.000 3.012 461 D HA -0.144 4.496 4.640 -0.000 0.000 0.222 461 D C 0.698 176.973 176.300 -0.042 0.000 1.167 461 D CA 1.853 55.844 54.000 -0.015 0.000 0.854 461 D CB -1.549 39.248 40.800 -0.005 0.000 1.107 461 D HN 1.225 nan 8.370 nan 0.000 0.421 462 G N -1.417 107.353 108.800 -0.049 0.000 2.272 462 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.280 462 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.280 462 G C 0.003 174.824 174.900 -0.130 0.000 1.067 462 G CA 0.164 45.211 45.100 -0.087 0.000 0.902 462 G HN 0.942 nan 8.290 nan 0.000 0.500 463 V N 0.639 120.477 119.914 -0.127 0.000 2.882 463 V HA 0.589 4.709 4.120 -0.000 0.000 0.295 463 V C -0.378 175.609 176.094 -0.179 0.000 1.273 463 V CA -0.875 61.315 62.300 -0.182 0.000 0.949 463 V CB 2.174 33.879 31.823 -0.197 0.000 1.071 463 V HN 0.467 nan 8.190 nan 0.000 0.432 464 I N 3.344 123.782 120.570 -0.220 0.000 2.569 464 I HA 0.608 4.778 4.170 -0.000 0.000 0.296 464 I C -1.027 174.934 176.117 -0.261 0.000 1.028 464 I CA -0.527 60.675 61.300 -0.164 0.000 1.082 464 I CB 1.983 39.931 38.000 -0.086 0.000 1.264 464 I HN 0.779 nan 8.210 nan 0.000 0.429 465 H N 6.907 125.938 119.070 -0.065 0.000 2.556 465 H HA 0.480 5.036 4.556 -0.000 0.000 0.310 465 H C -0.811 174.475 175.328 -0.071 0.000 1.057 465 H CA -0.293 55.713 56.048 -0.070 0.000 1.264 465 H CB 1.354 31.081 29.762 -0.059 0.000 1.404 465 H HN 0.355 nan 8.280 nan 0.000 0.462 466 L N 3.262 124.488 121.223 0.004 0.000 2.319 466 L HA 0.359 4.699 4.340 -0.000 0.000 0.281 466 L C -0.384 176.466 176.870 -0.034 0.000 1.005 466 L CA -0.716 54.104 54.840 -0.033 0.000 0.828 466 L CB 1.295 43.306 42.059 -0.080 0.000 1.227 466 L HN 0.631 nan 8.230 nan 0.000 0.415 467 S N 4.202 119.885 115.700 -0.028 0.000 2.433 467 S HA 0.715 5.185 4.470 -0.000 0.000 0.310 467 S C -0.624 173.952 174.600 -0.040 0.000 1.097 467 S CA -0.657 57.523 58.200 -0.034 0.000 1.103 467 S CB 1.318 64.503 63.200 -0.025 0.000 0.992 467 S HN 0.453 nan 8.310 nan 0.000 0.469 468 I N 3.391 123.932 120.570 -0.048 0.000 2.411 468 I HA 0.315 4.485 4.170 -0.000 0.000 0.284 468 I C -0.762 175.334 176.117 -0.035 0.000 1.012 468 I CA -0.948 60.323 61.300 -0.048 0.000 1.119 468 I CB 1.946 39.904 38.000 -0.070 0.000 1.261 468 I HN 0.432 nan 8.210 nan 0.000 0.448 469 V N 7.401 127.305 119.914 -0.018 0.000 2.498 469 V HA 0.371 4.491 4.120 -0.000 0.000 0.279 469 V C 0.009 176.107 176.094 0.008 0.000 1.048 469 V CA -0.436 61.860 62.300 -0.006 0.000 0.967 469 V CB 1.332 33.157 31.823 0.004 0.000 0.988 469 V HN 0.452 nan 8.190 nan 0.000 0.473 470 L N 4.973 126.202 121.223 0.009 0.000 2.319 470 L HA 0.475 4.815 4.340 -0.000 0.000 0.281 470 L C 0.642 177.536 176.870 0.040 0.000 1.005 470 L CA -0.115 54.743 54.840 0.030 0.000 0.828 470 L CB 1.930 43.998 42.059 0.015 0.000 1.227 470 L HN 0.832 nan 8.230 nan 0.000 0.415 471 S N 1.905 117.640 115.700 0.058 0.000 2.626 471 S HA 0.206 4.676 4.470 -0.000 0.000 0.257 471 S C 0.092 174.729 174.600 0.062 0.000 1.288 471 S CA -0.765 57.465 58.200 0.050 0.000 0.980 471 S CB 0.618 63.844 63.200 0.043 0.000 0.975 471 S HN 0.559 nan 8.310 nan 0.000 0.577 472 K N 1.025 121.457 120.400 0.054 0.000 2.453 472 K HA -0.049 4.271 4.320 -0.000 0.000 0.280 472 K C -0.273 176.382 176.600 0.091 0.000 1.045 472 K CA 0.404 56.730 56.287 0.065 0.000 1.059 472 K CB -0.433 32.099 32.500 0.054 0.000 0.901 472 K HN 0.634 nan 8.250 nan 0.000 0.475 473 N N 1.847 120.614 118.700 0.112 0.000 2.741 473 N HA -0.213 4.527 4.740 -0.000 0.000 0.250 473 N C -0.604 175.006 175.510 0.166 0.000 1.115 473 N CA 1.142 54.277 53.050 0.142 0.000 0.724 473 N CB -1.022 37.540 38.487 0.125 0.000 1.090 473 N HN 0.798 nan 8.380 nan 0.000 0.558 474 E N 0.376 120.675 120.200 0.165 0.000 2.373 474 E HA 0.360 4.710 4.350 -0.000 0.000 0.267 474 E C -0.488 176.262 176.600 0.249 0.000 1.032 474 E CA -0.344 56.169 56.400 0.189 0.000 0.889 474 E CB 0.822 30.613 29.700 0.151 0.000 0.984 474 E HN 0.055 nan 8.360 nan 0.000 0.425 475 V N 3.451 123.543 119.914 0.296 0.000 2.604 475 V HA 0.456 4.576 4.120 -0.000 0.000 0.305 475 V C -0.230 176.104 176.094 0.401 0.000 1.043 475 V CA -0.742 61.788 62.300 0.383 0.000 0.888 475 V CB 1.953 34.022 31.823 0.410 0.000 0.995 475 V HN 0.773 nan 8.190 nan 0.000 0.429 476 T N 4.479 119.187 114.554 0.256 0.000 2.921 476 T HA 0.596 4.946 4.350 -0.000 0.000 0.297 476 T C -1.466 173.075 174.700 -0.264 0.000 1.013 476 T CA -0.344 61.750 62.100 -0.011 0.000 0.990 476 T CB 1.218 70.079 68.868 -0.012 0.000 1.023 476 T HN 0.533 nan 8.240 nan 0.000 0.447 477 L N 6.574 127.351 121.223 -0.743 0.000 2.275 477 L HA 0.740 5.080 4.340 -0.000 0.000 0.288 477 L C -1.174 175.449 176.870 -0.412 0.000 1.046 477 L CA -0.234 54.204 54.840 -0.669 0.000 0.805 477 L CB 0.618 42.055 42.059 -1.036 0.000 1.193 477 L HN 0.643 nan 8.230 nan 0.000 0.426 478 I N 4.742 125.140 120.570 -0.286 0.000 2.389 478 I HA 0.399 4.569 4.170 -0.000 0.000 0.288 478 I C -0.478 175.525 176.117 -0.190 0.000 0.999 478 I CA -0.400 60.765 61.300 -0.225 0.000 1.129 478 I CB 1.615 39.504 38.000 -0.185 0.000 1.288 478 I HN 0.601 nan 8.210 nan 0.000 0.444 479 E N 6.864 126.958 120.200 -0.177 0.000 2.199 479 E HA 0.645 4.995 4.350 -0.000 0.000 0.269 479 E C -1.119 175.417 176.600 -0.107 0.000 0.899 479 E CA -0.654 55.677 56.400 -0.116 0.000 0.772 479 E CB 2.808 32.460 29.700 -0.080 0.000 1.155 479 E HN 0.425 nan 8.360 nan 0.000 0.408 480 I N 3.038 123.586 120.570 -0.037 0.000 2.439 480 I HA 0.262 4.431 4.170 -0.000 0.000 0.285 480 I C -0.418 175.777 176.117 0.131 0.000 1.021 480 I CA -0.639 60.667 61.300 0.011 0.000 1.091 480 I CB 1.224 39.224 38.000 0.000 0.000 1.242 480 I HN 0.289 nan 8.210 nan 0.000 0.439 481 E N 5.490 125.783 120.200 0.155 0.000 2.288 481 E HA 0.298 4.648 4.350 -0.000 0.000 0.268 481 E C -1.081 175.537 176.600 0.029 0.000 0.885 481 E CA -0.937 55.540 56.400 0.128 0.000 0.767 481 E CB 2.381 32.172 29.700 0.152 0.000 1.220 481 E HN 0.498 nan 8.360 nan 0.000 0.427 482 Q N 1.280 120.846 119.800 -0.389 0.000 2.311 482 Q HA 0.166 4.506 4.340 -0.000 0.000 0.272 482 Q C -0.709 175.125 176.000 -0.277 0.000 1.012 482 Q CA -0.176 55.187 55.803 -0.734 0.000 0.891 482 Q CB 0.808 28.704 28.738 -1.405 0.000 1.201 482 Q HN 0.244 nan 8.270 nan 0.000 0.391 483 V N 6.067 125.901 119.914 -0.133 0.000 2.432 483 V HA 0.210 4.330 4.120 -0.000 0.000 0.271 483 V C 0.135 176.168 176.094 -0.102 0.000 1.046 483 V CA -0.127 62.126 62.300 -0.079 0.000 0.945 483 V CB 1.036 32.855 31.823 -0.006 0.000 0.992 483 V HN 0.725 nan 8.190 nan 0.000 0.471 484 R N 3.124 123.561 120.500 -0.105 0.000 2.565 484 R HA 0.237 4.577 4.340 -0.000 0.000 0.286 484 R C -0.549 175.722 176.300 -0.047 0.000 1.256 484 R CA -0.625 55.429 56.100 -0.077 0.000 1.238 484 R CB 0.384 30.633 30.300 -0.084 0.000 1.153 484 R HN 0.630 nan 8.270 nan 0.000 0.553 485 D N 2.105 122.488 120.400 -0.030 0.000 2.371 485 D HA -0.021 4.619 4.640 -0.000 0.000 0.256 485 D C 0.393 176.702 176.300 0.014 0.000 1.193 485 D CA 0.318 54.310 54.000 -0.015 0.000 0.881 485 D CB 0.891 41.685 40.800 -0.010 0.000 1.143 485 D HN 0.434 nan 8.370 nan 0.000 0.473 486 E N 1.559 121.785 120.200 0.044 0.000 2.474 486 E HA 0.008 4.358 4.350 -0.000 0.000 0.195 486 E C 1.221 177.965 176.600 0.240 0.000 1.039 486 E CA 0.029 56.503 56.400 0.122 0.000 0.881 486 E CB 0.436 30.230 29.700 0.156 0.000 0.970 486 E HN 0.449 nan 8.360 nan 0.000 0.486 487 T N 0.794 115.421 114.554 0.123 0.000 2.746 487 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 487 T C 2.147 176.960 174.700 0.188 0.000 1.039 487 T CA 1.669 63.828 62.100 0.099 0.000 1.142 487 T CB -0.218 68.623 68.868 -0.045 0.000 0.866 487 T HN 0.289 nan 8.240 nan 0.000 0.444 488 S N 0.763 116.530 115.700 0.112 0.000 2.440 488 S HA -0.142 4.328 4.470 -0.000 0.000 0.238 488 S C 2.033 176.683 174.600 0.083 0.000 1.010 488 S CA 1.549 59.798 58.200 0.081 0.000 0.972 488 S CB -0.889 62.337 63.200 0.044 0.000 0.774 488 S HN 0.390 nan 8.310 nan 0.000 0.501 489 T N 0.566 115.180 114.554 0.099 0.000 3.035 489 T HA 0.103 4.453 4.350 -0.000 0.000 0.268 489 T C -0.345 174.311 174.700 -0.073 0.000 1.109 489 T CA 0.566 62.659 62.100 -0.012 0.000 1.119 489 T CB -0.365 68.468 68.868 -0.058 0.000 0.900 489 T HN 0.573 nan 8.240 nan 0.000 0.503 490 Y N 1.887 122.175 120.300 -0.021 0.000 2.767 490 Y HA 0.374 4.924 4.550 -0.000 0.000 0.354 490 Y C 0.260 176.150 175.900 -0.016 0.000 1.292 490 Y CA -1.117 56.971 58.100 -0.021 0.000 1.749 490 Y CB -0.625 37.820 38.460 -0.025 0.000 1.841 490 Y HN -0.152 nan 8.280 nan 0.000 0.454 491 V N 1.509 121.466 119.914 0.070 0.000 2.540 491 V HA 0.164 4.284 4.120 -0.000 0.000 0.297 491 V C 1.256 177.380 176.094 0.050 0.000 1.024 491 V CA 1.276 63.605 62.300 0.048 0.000 1.105 491 V CB 0.223 32.054 31.823 0.014 0.000 0.938 491 V HN 0.966 nan 8.190 nan 0.000 0.482 492 G N 3.905 112.732 108.800 0.046 0.000 2.176 492 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.253 492 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.253 492 G C 0.096 175.021 174.900 0.042 0.000 0.979 492 G CA 0.184 45.306 45.100 0.036 0.000 0.641 492 G HN 0.805 nan 8.290 nan 0.000 0.530 493 L N 0.872 122.132 121.223 0.060 0.000 2.490 493 L HA 0.544 4.884 4.340 -0.000 0.000 0.274 493 L C -0.442 176.436 176.870 0.013 0.000 1.201 493 L CA 0.281 55.148 54.840 0.045 0.000 0.869 493 L CB 0.791 42.880 42.059 0.050 0.000 1.123 493 L HN 0.162 nan 8.230 nan 0.000 0.484 494 D N 3.027 123.429 120.400 0.004 0.000 2.365 494 D HA 0.131 4.771 4.640 -0.000 0.000 0.235 494 D C 0.001 176.302 176.300 0.001 0.000 1.368 494 D CA -0.427 53.574 54.000 0.002 0.000 1.001 494 D CB 1.069 41.877 40.800 0.013 0.000 1.364 494 D HN 0.522 nan 8.370 nan 0.000 0.577 495 D N 1.987 122.380 120.400 -0.012 0.000 2.309 495 D HA -0.027 4.613 4.640 -0.000 0.000 0.212 495 D C 1.934 178.270 176.300 0.059 0.000 0.968 495 D CA 0.822 54.817 54.000 -0.009 0.000 0.882 495 D CB 0.136 40.909 40.800 -0.045 0.000 0.918 495 D HN 0.615 nan 8.370 nan 0.000 0.503 496 G N 0.567 109.398 108.800 0.052 0.000 2.598 496 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.215 496 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.215 496 G C 1.283 176.217 174.900 0.058 0.000 1.131 496 G CA 0.146 45.283 45.100 0.062 0.000 0.785 496 G HN 0.153 nan 8.290 nan 0.000 0.539 497 E N -0.031 120.198 120.200 0.048 0.000 2.479 497 E HA 0.157 4.507 4.350 -0.000 0.000 0.193 497 E C 0.456 177.090 176.600 0.057 0.000 1.049 497 E CA -0.068 56.358 56.400 0.043 0.000 0.870 497 E CB 0.523 30.240 29.700 0.029 0.000 0.944 497 E HN 0.442 nan 8.360 nan 0.000 0.492 498 I N 1.664 122.289 120.570 0.091 0.000 2.359 498 I HA 0.041 4.211 4.170 -0.000 0.000 0.294 498 I C 0.833 177.058 176.117 0.181 0.000 0.987 498 I CA -0.702 60.676 61.300 0.131 0.000 1.225 498 I CB 1.489 39.565 38.000 0.126 0.000 1.366 498 I HN -0.188 nan 8.210 nan 0.000 0.466 499 T N 3.370 118.002 114.554 0.131 0.000 2.905 499 T HA -0.005 4.345 4.350 -0.000 0.000 0.299 499 T C 1.060 175.778 174.700 0.029 0.000 1.024 499 T CA 0.550 62.693 62.100 0.072 0.000 1.151 499 T CB 0.319 69.212 68.868 0.041 0.000 0.987 499 T HN 1.186 nan 8.240 nan 0.000 0.535 500 S N 1.231 116.881 115.700 -0.084 0.000 2.524 500 S HA -0.207 4.263 4.470 -0.000 0.000 0.254 500 S C 0.118 174.491 174.600 -0.380 0.000 1.258 500 S CA 1.062 59.103 58.200 -0.264 0.000 1.448 500 S CB -2.720 60.240 63.200 -0.400 0.000 1.806 500 S HN 0.910 nan 8.310 nan 0.000 0.630 501 Y N 2.737 123.035 120.300 -0.004 0.000 2.518 501 Y HA 0.741 5.291 4.550 -0.000 0.000 0.332 501 Y C 1.395 177.292 175.900 -0.006 0.000 1.276 501 Y CA 0.063 58.160 58.100 -0.006 0.000 1.418 501 Y CB 1.054 39.509 38.460 -0.009 0.000 1.527 501 Y HN 0.512 nan 8.280 nan 0.000 0.549 502 S N 0.000 115.744 115.700 0.074 0.000 2.498 502 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 502 S CA 0.000 58.251 58.200 0.084 0.000 1.107 502 S CB 0.000 63.244 63.200 0.074 0.000 0.593 502 S HN 0.000 nan 8.310 nan 0.000 0.517