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 2r6a_1_A DATA FIRST_RESID 8 DATA SEQUENCE RIPPQSIEAE QAVLGAVFLD PAALVPASEI LIPEDFYRAA HQKIFHAMLR DATA SEQUENCE VADRGEPVDL VTVTAELAAS EQLEEIGGVS YLSELADAVP TAANVEYYAR DATA SEQUENCE IVEEKSVLRR LIRTATSIAQ DGYTREDEID VLLDEADRKI MEVSQRKHSG DATA SEQUENCE AFKNIKDILV QTYDNIEMLH NRDGEITGIP TGFTELDRMT SGFQRSDLII DATA SEQUENCE VAARPSVGKT AFALNIAQNV ATKTNENVAI FSLEMSAQQL VMRMLCAEGN DATA SEQUENCE INAQNLRTGK LTPEDWGKLT MAMGSLSNAG IYIDDTPSIR VSDIRAKCRR DATA SEQUENCE LKQESGLGMI VIDYLQLIQG SGRXXXXRQQ EVSEISRSLK ALARELEVPV DATA SEQUENCE IALSQLSRSV EQRXXXRPMM SDIRESGSIE QDADIVAFLY RDDYXXXXXX DATA SEQUENCE XKNIIEIIIA KQRNGPVGTV QLAFIKEYNK FVNL 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 8 R HA 0.000 nan 4.340 nan 0.000 0.208 8 R C 0.000 176.290 176.300 -0.016 0.000 0.893 8 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 8 R CB 0.000 30.305 30.300 0.008 0.000 0.687 9 I N -0.127 120.425 120.570 -0.030 0.000 2.498 9 I HA 0.611 4.781 4.170 -0.000 0.000 0.301 9 I C -2.275 173.780 176.117 -0.102 0.000 0.984 9 I CA -2.244 59.027 61.300 -0.048 0.000 1.204 9 I CB 1.575 39.549 38.000 -0.044 0.000 1.362 9 I HN 0.288 nan 8.210 nan 0.000 0.471 10 P HA 0.236 nan 4.420 nan 0.000 0.264 10 P C -2.509 174.602 177.300 -0.316 0.000 1.193 10 P CA -0.712 62.252 63.100 -0.226 0.000 0.763 10 P CB -0.308 31.217 31.700 -0.291 0.000 0.810 11 P HA -0.062 nan 4.420 nan 0.000 0.257 11 P C -0.448 176.709 177.300 -0.239 0.000 1.162 11 P CA 0.801 63.799 63.100 -0.170 0.000 0.762 11 P CB 0.093 31.730 31.700 -0.105 0.000 0.753 12 Q N 0.946 120.625 119.800 -0.202 0.000 2.630 12 Q HA 0.678 5.018 4.340 -0.000 0.000 0.295 12 Q C -1.481 174.475 176.000 -0.074 0.000 0.944 12 Q CA -1.026 54.671 55.803 -0.176 0.000 0.766 12 Q CB 1.332 29.881 28.738 -0.315 0.000 1.471 12 Q HN 0.130 nan 8.270 nan 0.000 0.416 13 S N 1.262 116.951 115.700 -0.018 0.000 2.385 13 S HA 0.271 4.741 4.470 -0.000 0.000 0.191 13 S C 0.456 175.094 174.600 0.064 0.000 1.196 13 S CA -0.522 57.684 58.200 0.009 0.000 1.178 13 S CB 0.313 63.509 63.200 -0.007 0.000 1.258 13 S HN 0.612 nan 8.310 nan 0.000 0.430 14 I N 2.698 123.331 120.570 0.105 0.000 2.226 14 I HA -0.077 4.093 4.170 -0.000 0.000 0.245 14 I C 2.256 178.455 176.117 0.137 0.000 1.100 14 I CA 1.428 62.844 61.300 0.194 0.000 1.374 14 I CB -1.168 36.949 38.000 0.195 0.000 1.057 14 I HN 0.548 nan 8.210 nan 0.000 0.413 15 E N 1.248 121.485 120.200 0.062 0.000 2.058 15 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 15 E C 2.355 178.918 176.600 -0.062 0.000 0.997 15 E CA 1.811 58.211 56.400 0.000 0.000 0.801 15 E CB -0.402 29.288 29.700 -0.016 0.000 0.746 15 E HN 0.503 nan 8.360 nan 0.000 0.450 16 A N 0.716 123.512 122.820 -0.041 0.000 1.929 16 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 16 A C 1.970 179.532 177.584 -0.036 0.000 1.176 16 A CA 1.391 53.390 52.037 -0.063 0.000 0.628 16 A CB -0.376 18.630 19.000 0.010 0.000 0.816 16 A HN 0.188 nan 8.150 nan 0.000 0.444 17 E N -0.240 119.976 120.200 0.026 0.000 2.051 17 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 17 E C 2.277 178.874 176.600 -0.005 0.000 0.991 17 E CA 1.475 57.953 56.400 0.130 0.000 0.799 17 E CB -0.225 29.689 29.700 0.357 0.000 0.748 17 E HN 0.713 nan 8.360 nan 0.000 0.449 18 Q N 0.030 119.784 119.800 -0.076 0.000 2.124 18 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 18 Q C 2.196 178.117 176.000 -0.130 0.000 0.977 18 Q CA 1.278 56.995 55.803 -0.143 0.000 0.850 18 Q CB -0.139 28.571 28.738 -0.046 0.000 0.901 18 Q HN 0.226 nan 8.270 nan 0.000 0.429 19 A N 0.180 122.890 122.820 -0.182 0.000 1.969 19 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 19 A C 2.292 179.832 177.584 -0.073 0.000 1.169 19 A CA 0.964 52.831 52.037 -0.283 0.000 0.635 19 A CB -0.467 18.028 19.000 -0.842 0.000 0.810 19 A HN 0.193 nan 8.150 nan 0.000 0.445 20 V N 0.305 120.233 119.914 0.024 0.000 2.261 20 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 20 V C 2.583 178.712 176.094 0.060 0.000 1.047 20 V CA 2.086 64.462 62.300 0.128 0.000 1.015 20 V CB -0.766 31.147 31.823 0.149 0.000 0.642 20 V HN 0.592 nan 8.190 nan 0.000 0.446 21 L N 0.234 121.450 121.223 -0.011 0.000 2.046 21 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 21 L C 2.705 179.489 176.870 -0.142 0.000 1.077 21 L CA 1.710 56.472 54.840 -0.129 0.000 0.747 21 L CB -1.400 40.558 42.059 -0.169 0.000 0.896 21 L HN 0.466 nan 8.230 nan 0.000 0.432 22 G N 0.089 108.880 108.800 -0.014 0.000 2.476 22 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 22 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 22 G C 1.807 176.751 174.900 0.073 0.000 1.164 22 G CA 1.043 46.191 45.100 0.079 0.000 0.768 22 G HN 0.466 nan 8.290 nan 0.000 0.560 23 A N 0.138 122.992 122.820 0.057 0.000 1.892 23 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 23 A C 2.640 180.243 177.584 0.031 0.000 1.188 23 A CA 2.288 54.375 52.037 0.083 0.000 0.631 23 A CB -0.873 18.212 19.000 0.142 0.000 0.822 23 A HN 0.363 nan 8.150 nan 0.000 0.447 24 V N -1.185 118.694 119.914 -0.057 0.000 2.332 24 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 24 V C 2.304 178.327 176.094 -0.118 0.000 1.055 24 V CA 2.132 64.348 62.300 -0.140 0.000 1.038 24 V CB -1.070 30.594 31.823 -0.266 0.000 0.651 24 V HN 0.544 nan 8.190 nan 0.000 0.450 25 F N -0.457 119.503 119.950 0.017 0.000 2.365 25 F HA -0.009 4.518 4.527 0.000 0.000 0.300 25 F C 1.986 177.788 175.800 0.004 0.000 1.090 25 F CA 0.866 58.867 58.000 0.001 0.000 1.408 25 F CB -0.619 38.371 39.000 -0.016 0.000 1.060 25 F HN 0.092 nan 8.300 nan 0.000 0.534 26 L N -1.467 119.856 121.223 0.165 0.000 2.202 26 L HA 0.066 4.406 4.340 -0.000 0.000 0.205 26 L C -0.018 176.897 176.870 0.075 0.000 1.083 26 L CA 0.701 55.604 54.840 0.105 0.000 0.790 26 L CB -0.015 42.095 42.059 0.086 0.000 0.942 26 L HN -0.092 nan 8.230 nan 0.000 0.452 27 D N -0.564 119.873 120.400 0.062 0.000 2.602 27 D HA 0.180 4.820 4.640 -0.000 0.000 0.245 27 D C -1.963 174.352 176.300 0.025 0.000 1.325 27 D CA -1.943 52.082 54.000 0.041 0.000 0.952 27 D CB 2.042 42.864 40.800 0.037 0.000 1.317 27 D HN -0.226 nan 8.370 nan 0.000 0.577 28 P HA -0.124 nan 4.420 nan 0.000 0.219 28 P C 1.103 178.398 177.300 -0.009 0.000 1.146 28 P CA 0.691 63.791 63.100 0.000 0.000 0.808 28 P CB 0.241 31.946 31.700 0.008 0.000 0.779 29 A N 0.582 123.402 122.820 0.000 0.000 2.070 29 A HA -0.036 4.284 4.320 -0.000 0.000 0.220 29 A C 2.393 179.976 177.584 -0.001 0.000 1.159 29 A CA 1.681 53.717 52.037 -0.002 0.000 0.656 29 A CB -1.340 17.662 19.000 0.003 0.000 0.800 29 A HN 0.247 nan 8.150 nan 0.000 0.453 30 A N -0.710 122.113 122.820 0.006 0.000 2.121 30 A HA 0.049 4.369 4.320 -0.000 0.000 0.218 30 A C 1.972 179.571 177.584 0.024 0.000 1.154 30 A CA 1.433 53.480 52.037 0.016 0.000 0.679 30 A CB -0.425 18.595 19.000 0.033 0.000 0.795 30 A HN 0.609 nan 8.150 nan 0.000 0.458 31 L N -0.261 120.965 121.223 0.006 0.000 2.093 31 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 31 L C 2.313 179.194 176.870 0.018 0.000 1.085 31 L CA 1.572 56.420 54.840 0.014 0.000 0.755 31 L CB -0.455 41.566 42.059 -0.064 0.000 0.904 31 L HN 0.154 nan 8.230 nan 0.000 0.435 32 V N 0.755 120.664 119.914 -0.007 0.000 2.233 32 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 32 V C -0.007 176.077 176.094 -0.017 0.000 1.050 32 V CA 2.403 64.694 62.300 -0.015 0.000 1.010 32 V CB -2.054 29.757 31.823 -0.019 0.000 0.637 32 V HN 0.355 nan 8.190 nan 0.000 0.444 33 P HA -0.135 nan 4.420 nan 0.000 0.216 33 P C 1.600 178.873 177.300 -0.044 0.000 1.150 33 P CA 2.030 65.095 63.100 -0.058 0.000 0.837 33 P CB -0.148 31.515 31.700 -0.062 0.000 0.786 34 A N 0.141 122.986 122.820 0.041 0.000 1.872 34 A HA -0.147 4.173 4.320 -0.000 0.000 0.214 34 A C 2.370 180.090 177.584 0.226 0.000 1.187 34 A CA 2.144 54.253 52.037 0.121 0.000 0.614 34 A CB -1.560 17.585 19.000 0.243 0.000 0.826 34 A HN 0.325 nan 8.150 nan 0.000 0.442 35 S N 0.074 115.935 115.700 0.268 0.000 2.399 35 S HA -0.179 4.291 4.470 -0.000 0.000 0.231 35 S C 1.612 176.256 174.600 0.073 0.000 1.022 35 S CA 1.351 59.697 58.200 0.243 0.000 0.983 35 S CB -0.467 62.771 63.200 0.062 0.000 0.803 35 S HN 0.666 nan 8.310 nan 0.000 0.480 36 E N 1.115 121.282 120.200 -0.055 0.000 2.077 36 E HA -0.041 4.309 4.350 -0.000 0.000 0.193 36 E C 1.935 178.303 176.600 -0.386 0.000 0.989 36 E CA 1.516 57.774 56.400 -0.237 0.000 0.800 36 E CB -0.299 29.194 29.700 -0.344 0.000 0.746 36 E HN 0.624 nan 8.360 nan 0.000 0.452 37 I N 0.422 120.819 120.570 -0.288 0.000 2.716 37 I HA -0.025 4.145 4.170 -0.000 0.000 0.259 37 I C 0.685 176.758 176.117 -0.073 0.000 1.172 37 I CA 0.417 61.592 61.300 -0.207 0.000 1.478 37 I CB 0.257 38.154 38.000 -0.171 0.000 1.104 37 I HN -0.067 nan 8.210 nan 0.000 0.439 38 L N 1.346 122.559 121.223 -0.017 0.000 2.388 38 L HA 0.571 4.911 4.340 -0.000 0.000 0.264 38 L C -0.564 176.432 176.870 0.209 0.000 0.998 38 L CA -0.913 53.925 54.840 -0.004 0.000 0.817 38 L CB 2.334 44.257 42.059 -0.227 0.000 1.338 38 L HN -0.028 nan 8.230 nan 0.000 0.414 39 I N -1.696 118.993 120.570 0.198 0.000 2.750 39 I HA 0.529 4.699 4.170 -0.000 0.000 0.308 39 I C -2.091 174.274 176.117 0.414 0.000 1.016 39 I CA -2.267 59.229 61.300 0.328 0.000 1.098 39 I CB 1.715 39.838 38.000 0.204 0.000 1.279 39 I HN 0.289 nan 8.210 nan 0.000 0.454 40 P HA -0.180 nan 4.420 nan 0.000 0.217 40 P C 0.826 178.372 177.300 0.410 0.000 1.151 40 P CA 1.580 65.007 63.100 0.545 0.000 0.849 40 P CB 0.064 32.005 31.700 0.403 0.000 0.787 41 E N -0.993 119.361 120.200 0.258 0.000 2.472 41 E HA -0.126 4.224 4.350 -0.000 0.000 0.200 41 E C 1.368 178.059 176.600 0.151 0.000 1.046 41 E CA 0.675 57.179 56.400 0.174 0.000 0.871 41 E CB -0.755 29.013 29.700 0.113 0.000 0.806 41 E HN 0.338 nan 8.360 nan 0.000 0.533 42 D N -0.229 120.247 120.400 0.128 0.000 2.277 42 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 42 D C -0.127 176.128 176.300 -0.076 0.000 0.962 42 D CA 0.438 54.423 54.000 -0.024 0.000 0.865 42 D CB 0.013 40.715 40.800 -0.164 0.000 0.939 42 D HN 0.163 nan 8.370 nan 0.000 0.510 43 F N 0.626 120.600 119.950 0.040 0.000 2.504 43 F HA -0.002 4.525 4.527 -0.000 0.000 0.369 43 F C 1.464 177.342 175.800 0.131 0.000 1.082 43 F CA -0.532 57.522 58.000 0.090 0.000 1.216 43 F CB 0.537 39.600 39.000 0.106 0.000 1.108 43 F HN -0.141 nan 8.300 nan 0.000 0.554 44 Y N 3.221 123.617 120.300 0.160 0.000 2.314 44 Y HA 0.035 4.585 4.550 -0.000 0.000 0.293 44 Y C 1.372 177.316 175.900 0.074 0.000 1.129 44 Y CA 0.826 58.979 58.100 0.088 0.000 1.201 44 Y CB 0.013 38.503 38.460 0.050 0.000 0.999 44 Y HN 0.426 nan 8.280 nan 0.000 0.541 45 R N 0.456 120.985 120.500 0.047 0.000 2.265 45 R HA 0.375 4.715 4.340 -0.000 0.000 0.314 45 R C 1.271 177.490 176.300 -0.134 0.000 1.053 45 R CA 0.472 56.469 56.100 -0.171 0.000 0.931 45 R CB 1.096 31.201 30.300 -0.325 0.000 1.024 45 R HN 0.325 nan 8.270 nan 0.000 0.457 46 A N 4.535 127.252 122.820 -0.173 0.000 1.917 46 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 46 A C 2.070 179.611 177.584 -0.072 0.000 1.182 46 A CA 2.093 54.068 52.037 -0.104 0.000 0.633 46 A CB -0.724 18.207 19.000 -0.116 0.000 0.819 46 A HN 0.903 nan 8.150 nan 0.000 0.448 47 A N -0.834 121.906 122.820 -0.133 0.000 1.940 47 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 47 A C 1.894 179.527 177.584 0.082 0.000 1.176 47 A CA 1.718 53.715 52.037 -0.066 0.000 0.631 47 A CB -1.023 17.877 19.000 -0.168 0.000 0.814 47 A HN 0.800 nan 8.150 nan 0.000 0.446 48 H N -0.796 118.280 119.070 0.011 0.000 2.423 48 H HA -0.102 4.454 4.556 -0.000 0.000 0.297 48 H C 2.381 177.531 175.328 -0.296 0.000 1.075 48 H CA 1.126 57.097 56.048 -0.128 0.000 1.342 48 H CB 0.033 29.773 29.762 -0.037 0.000 1.395 48 H HN 0.639 nan 8.280 nan 0.000 0.530 49 Q N 1.214 121.034 119.800 0.034 0.000 1.993 49 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 49 Q C 2.147 178.197 176.000 0.084 0.000 0.984 49 Q CA 1.316 57.164 55.803 0.075 0.000 0.837 49 Q CB -0.064 28.737 28.738 0.105 0.000 0.902 49 Q HN 0.303 nan 8.270 nan 0.000 0.423 50 K N 0.714 121.151 120.400 0.062 0.000 2.074 50 K HA -0.158 4.162 4.320 -0.000 0.000 0.209 50 K C 1.924 178.592 176.600 0.114 0.000 1.048 50 K CA 1.355 57.691 56.287 0.081 0.000 0.926 50 K CB -0.181 32.348 32.500 0.048 0.000 0.713 50 K HN 0.180 nan 8.250 nan 0.000 0.444 51 I N -0.640 119.988 120.570 0.096 0.000 2.202 51 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 51 I C 2.001 178.148 176.117 0.050 0.000 1.091 51 I CA 0.913 62.272 61.300 0.098 0.000 1.368 51 I CB -0.203 37.884 38.000 0.144 0.000 1.058 51 I HN 0.052 nan 8.210 nan 0.000 0.410 52 F N 1.170 120.997 119.950 -0.205 0.000 2.126 52 F HA -0.284 4.243 4.527 -0.000 0.000 0.299 52 F C 2.652 178.422 175.800 -0.049 0.000 1.096 52 F CA 2.114 59.990 58.000 -0.207 0.000 1.255 52 F CB -0.613 38.182 39.000 -0.342 0.000 0.997 52 F HN 0.112 nan 8.300 nan 0.000 0.479 53 H N -0.305 118.756 119.070 -0.015 0.000 2.387 53 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 53 H C 2.160 177.433 175.328 -0.093 0.000 1.099 53 H CA 1.732 57.747 56.048 -0.056 0.000 1.315 53 H CB -0.330 29.439 29.762 0.012 0.000 1.380 53 H HN 0.225 nan 8.280 nan 0.000 0.513 54 A N 0.342 123.135 122.820 -0.046 0.000 1.902 54 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 54 A C 2.483 179.977 177.584 -0.150 0.000 1.181 54 A CA 1.673 53.666 52.037 -0.074 0.000 0.623 54 A CB -0.650 18.366 19.000 0.028 0.000 0.818 54 A HN 0.504 nan 8.150 nan 0.000 0.443 55 M N -1.088 118.398 119.600 -0.191 0.000 2.065 55 M HA -0.170 4.310 4.480 -0.000 0.000 0.259 55 M C 2.046 178.162 176.300 -0.307 0.000 1.071 55 M CA 1.400 56.550 55.300 -0.250 0.000 1.109 55 M CB -0.564 31.827 32.600 -0.348 0.000 1.313 55 M HN 0.323 nan 8.290 nan 0.000 0.408 56 L N 0.182 121.140 121.223 -0.442 0.000 2.051 56 L HA -0.235 4.105 4.340 -0.000 0.000 0.214 56 L C 2.487 179.185 176.870 -0.287 0.000 1.076 56 L CA 1.905 56.512 54.840 -0.387 0.000 0.758 56 L CB -1.054 40.748 42.059 -0.428 0.000 0.890 56 L HN 0.258 nan 8.230 nan 0.000 0.433 57 R N -1.282 119.023 120.500 -0.325 0.000 2.070 57 R HA -0.131 4.209 4.340 -0.000 0.000 0.233 57 R C 2.204 178.414 176.300 -0.150 0.000 1.137 57 R CA 1.500 57.454 56.100 -0.244 0.000 0.945 57 R CB -0.575 29.572 30.300 -0.255 0.000 0.845 57 R HN 0.215 nan 8.270 nan 0.000 0.430 58 V N 1.107 120.941 119.914 -0.133 0.000 2.282 58 V HA -0.299 3.821 4.120 -0.000 0.000 0.249 58 V C 2.477 178.520 176.094 -0.085 0.000 1.057 58 V CA 2.081 64.329 62.300 -0.085 0.000 1.032 58 V CB -0.813 30.973 31.823 -0.062 0.000 0.645 58 V HN 0.454 nan 8.190 nan 0.000 0.447 59 A N -0.205 122.547 122.820 -0.113 0.000 1.940 59 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 59 A C 1.938 179.473 177.584 -0.082 0.000 1.176 59 A CA 2.039 54.017 52.037 -0.099 0.000 0.631 59 A CB -0.604 18.319 19.000 -0.128 0.000 0.814 59 A HN 0.571 nan 8.150 nan 0.000 0.446 60 D N -0.759 119.585 120.400 -0.093 0.000 2.312 60 D HA -0.056 4.584 4.640 -0.000 0.000 0.211 60 D C 1.845 178.114 176.300 -0.052 0.000 0.964 60 D CA 0.660 54.617 54.000 -0.071 0.000 0.877 60 D CB -0.245 40.508 40.800 -0.079 0.000 0.924 60 D HN 0.440 nan 8.370 nan 0.000 0.515 61 R N -0.327 120.141 120.500 -0.052 0.000 2.297 61 R HA 0.136 4.476 4.340 -0.000 0.000 0.197 61 R C 1.061 177.343 176.300 -0.030 0.000 0.943 61 R CA 0.488 56.566 56.100 -0.037 0.000 1.038 61 R CB 0.381 30.659 30.300 -0.036 0.000 0.957 61 R HN 0.100 nan 8.270 nan 0.000 0.484 62 G N 1.807 110.586 108.800 -0.034 0.000 2.160 62 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.244 62 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.244 62 G C -0.361 174.525 174.900 -0.023 0.000 1.022 62 G CA 0.115 45.199 45.100 -0.027 0.000 0.741 62 G HN 0.385 nan 8.290 nan 0.000 0.508 63 E N 0.875 121.060 120.200 -0.026 0.000 2.214 63 E HA 0.464 4.814 4.350 -0.000 0.000 0.274 63 E C -2.243 174.346 176.600 -0.018 0.000 0.977 63 E CA -2.077 54.311 56.400 -0.019 0.000 0.827 63 E CB 1.725 31.413 29.700 -0.019 0.000 1.130 63 E HN 0.177 nan 8.360 nan 0.000 0.394 64 P HA 0.023 nan 4.420 nan 0.000 0.271 64 P C -0.521 176.782 177.300 0.005 0.000 1.220 64 P CA -0.130 62.969 63.100 -0.002 0.000 0.768 64 P CB 0.639 32.344 31.700 0.007 0.000 0.848 65 V N 4.850 124.763 119.914 -0.000 0.000 2.353 65 V HA 0.217 4.337 4.120 -0.000 0.000 0.264 65 V C 0.497 176.633 176.094 0.069 0.000 1.049 65 V CA 0.325 62.630 62.300 0.009 0.000 0.896 65 V CB 0.126 31.919 31.823 -0.051 0.000 1.025 65 V HN 0.760 nan 8.190 nan 0.000 0.475 66 D N 3.213 123.697 120.400 0.140 0.000 2.812 66 D HA 0.231 4.871 4.640 -0.000 0.000 0.318 66 D C 0.749 177.227 176.300 0.296 0.000 1.234 66 D CA -0.877 53.265 54.000 0.237 0.000 0.989 66 D CB 1.151 42.024 40.800 0.122 0.000 1.442 66 D HN 0.125 nan 8.370 nan 0.000 0.537 67 L N -0.048 121.248 121.223 0.122 0.000 2.079 67 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 67 L C 1.982 178.802 176.870 -0.083 0.000 1.081 67 L CA 1.367 56.074 54.840 -0.223 0.000 0.752 67 L CB -0.149 41.691 42.059 -0.365 0.000 0.896 67 L HN 0.406 nan 8.230 nan 0.000 0.433 68 V N -0.990 118.913 119.914 -0.019 0.000 2.323 68 V HA -0.259 3.861 4.120 -0.000 0.000 0.244 68 V C 2.635 178.739 176.094 0.018 0.000 1.041 68 V CA 2.142 64.436 62.300 -0.009 0.000 1.025 68 V CB -1.146 30.673 31.823 -0.007 0.000 0.656 68 V HN 0.703 nan 8.190 nan 0.000 0.451 69 T N -1.787 112.792 114.554 0.042 0.000 2.904 69 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 69 T C 1.812 176.546 174.700 0.056 0.000 1.059 69 T CA 1.435 63.558 62.100 0.039 0.000 1.137 69 T CB -0.342 68.544 68.868 0.029 0.000 0.879 69 T HN 0.216 nan 8.240 nan 0.000 0.467 70 V N 1.937 121.919 119.914 0.113 0.000 2.358 70 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 70 V C 3.052 179.204 176.094 0.096 0.000 1.047 70 V CA 2.200 64.586 62.300 0.144 0.000 1.035 70 V CB -1.386 30.640 31.823 0.338 0.000 0.658 70 V HN 0.544 nan 8.190 nan 0.000 0.452 71 T N 0.605 115.192 114.554 0.055 0.000 2.684 71 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 71 T C 2.082 176.797 174.700 0.025 0.000 1.036 71 T CA 1.860 63.974 62.100 0.023 0.000 1.148 71 T CB -0.460 68.398 68.868 -0.015 0.000 0.863 71 T HN 0.585 nan 8.240 nan 0.000 0.436 72 A N 1.255 124.087 122.820 0.021 0.000 1.877 72 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 72 A C 2.206 179.802 177.584 0.020 0.000 1.186 72 A CA 2.078 54.124 52.037 0.016 0.000 0.620 72 A CB -0.692 18.314 19.000 0.011 0.000 0.822 72 A HN 0.478 nan 8.150 nan 0.000 0.443 73 E N 0.165 120.380 120.200 0.024 0.000 2.058 73 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 73 E C 1.819 178.439 176.600 0.034 0.000 0.997 73 E CA 1.538 57.952 56.400 0.022 0.000 0.801 73 E CB -0.417 29.293 29.700 0.016 0.000 0.746 73 E HN 0.588 nan 8.360 nan 0.000 0.450 74 L N -0.339 120.911 121.223 0.045 0.000 2.141 74 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 74 L C 2.449 179.340 176.870 0.036 0.000 1.094 74 L CA 0.945 55.815 54.840 0.051 0.000 0.763 74 L CB -0.472 41.628 42.059 0.068 0.000 0.908 74 L HN 0.200 nan 8.230 nan 0.000 0.437 75 A N 0.109 122.945 122.820 0.028 0.000 1.898 75 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 75 A C 2.519 180.113 177.584 0.017 0.000 1.181 75 A CA 1.610 53.659 52.037 0.019 0.000 0.620 75 A CB -0.648 18.360 19.000 0.014 0.000 0.819 75 A HN 0.371 nan 8.150 nan 0.000 0.442 76 A N 0.124 122.955 122.820 0.018 0.000 2.015 76 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 76 A C 2.222 179.817 177.584 0.019 0.000 1.163 76 A CA 1.925 53.971 52.037 0.015 0.000 0.646 76 A CB -0.671 18.337 19.000 0.014 0.000 0.806 76 A HN 1.017 nan 8.150 nan 0.000 0.448 77 S N -0.746 114.970 115.700 0.026 0.000 2.634 77 S HA 0.200 4.670 4.470 -0.000 0.000 0.221 77 S C 0.127 174.740 174.600 0.022 0.000 0.952 77 S CA 0.463 58.681 58.200 0.030 0.000 0.930 77 S CB -0.525 62.704 63.200 0.048 0.000 0.780 77 S HN 0.561 nan 8.310 nan 0.000 0.498 78 E N 0.335 120.545 120.200 0.017 0.000 2.389 78 E HA -0.252 4.098 4.350 -0.000 0.000 0.243 78 E C 0.196 176.802 176.600 0.010 0.000 1.154 78 E CA 0.766 57.172 56.400 0.011 0.000 0.723 78 E CB -1.920 27.783 29.700 0.006 0.000 1.261 78 E HN 0.767 nan 8.360 nan 0.000 0.390 79 Q N -0.560 119.251 119.800 0.018 0.000 2.185 79 Q HA 0.251 4.591 4.340 -0.000 0.000 0.234 79 Q C 2.009 178.023 176.000 0.023 0.000 0.819 79 Q CA -0.350 55.464 55.803 0.018 0.000 0.961 79 Q CB 0.527 29.282 28.738 0.029 0.000 1.140 79 Q HN 0.338 nan 8.270 nan 0.000 0.492 80 L N 1.338 122.578 121.223 0.028 0.000 1.963 80 L HA -0.311 4.029 4.340 -0.000 0.000 0.220 80 L C 1.927 178.811 176.870 0.022 0.000 1.076 80 L CA 1.980 56.840 54.840 0.033 0.000 0.772 80 L CB -0.167 41.908 42.059 0.026 0.000 0.892 80 L HN 0.353 nan 8.230 nan 0.000 0.435 81 E N -0.724 119.480 120.200 0.007 0.000 2.077 81 E HA -0.294 4.056 4.350 -0.000 0.000 0.193 81 E C 1.997 178.582 176.600 -0.025 0.000 0.989 81 E CA 1.241 57.638 56.400 -0.005 0.000 0.800 81 E CB -0.118 29.577 29.700 -0.008 0.000 0.746 81 E HN 0.490 nan 8.360 nan 0.000 0.452 82 E N 0.901 121.086 120.200 -0.026 0.000 2.160 82 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 82 E C 1.762 178.317 176.600 -0.075 0.000 0.991 82 E CA 1.216 57.588 56.400 -0.046 0.000 0.810 82 E CB -0.008 29.673 29.700 -0.031 0.000 0.742 82 E HN 0.321 nan 8.360 nan 0.000 0.466 83 I N -3.569 116.970 120.570 -0.052 0.000 3.875 83 I HA 0.434 4.604 4.170 -0.000 0.000 0.329 83 I C 1.099 177.116 176.117 -0.167 0.000 1.295 83 I CA 0.620 61.871 61.300 -0.082 0.000 1.129 83 I CB 0.789 38.820 38.000 0.051 0.000 1.008 83 I HN 0.085 nan 8.210 nan 0.000 0.413 84 G N -0.240 108.492 108.800 -0.112 0.000 2.159 84 G HA2 0.144 4.104 3.960 -0.000 0.000 0.227 84 G HA3 0.144 4.104 3.960 -0.000 0.000 0.227 84 G C 0.899 175.855 174.900 0.092 0.000 0.986 84 G CA -0.203 44.858 45.100 -0.065 0.000 0.651 84 G HN 1.590 nan 8.290 nan 0.000 0.523 85 G N -1.954 106.896 108.800 0.083 0.000 2.741 85 G HA2 0.036 3.996 3.960 -0.000 0.000 0.222 85 G HA3 0.036 3.996 3.960 -0.000 0.000 0.222 85 G C 0.949 175.897 174.900 0.080 0.000 1.364 85 G CA 0.345 45.486 45.100 0.070 0.000 0.866 85 G HN 1.270 nan 8.290 nan 0.000 0.555 86 V N 0.185 120.115 119.914 0.026 0.000 2.407 86 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 86 V C 3.060 179.138 176.094 -0.027 0.000 1.055 86 V CA 3.073 65.359 62.300 -0.023 0.000 1.049 86 V CB -0.699 31.101 31.823 -0.039 0.000 0.662 86 V HN 0.864 nan 8.190 nan 0.000 0.455 87 S N -1.535 114.175 115.700 0.016 0.000 2.400 87 S HA -0.244 4.226 4.470 -0.000 0.000 0.232 87 S C 1.845 176.469 174.600 0.041 0.000 1.025 87 S CA 1.887 60.100 58.200 0.021 0.000 0.993 87 S CB -0.356 62.873 63.200 0.048 0.000 0.808 87 S HN 0.730 nan 8.310 nan 0.000 0.478 88 Y N 1.841 122.132 120.300 -0.016 0.000 2.286 88 Y HA 0.088 4.638 4.550 -0.000 0.000 0.293 88 Y C 1.790 177.693 175.900 0.006 0.000 1.124 88 Y CA 1.016 59.123 58.100 0.013 0.000 1.178 88 Y CB -0.342 38.141 38.460 0.039 0.000 1.010 88 Y HN 0.164 nan 8.280 nan 0.000 0.536 89 L N -1.112 120.036 121.223 -0.124 0.000 2.079 89 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 89 L C 2.480 179.145 176.870 -0.343 0.000 1.081 89 L CA 1.475 56.149 54.840 -0.276 0.000 0.752 89 L CB -0.906 40.916 42.059 -0.395 0.000 0.896 89 L HN 0.123 nan 8.230 nan 0.000 0.433 90 S N -0.119 115.431 115.700 -0.250 0.000 2.359 90 S HA -0.222 4.248 4.470 -0.000 0.000 0.224 90 S C 1.846 176.355 174.600 -0.153 0.000 1.035 90 S CA 1.557 59.649 58.200 -0.180 0.000 1.018 90 S CB -0.232 62.900 63.200 -0.113 0.000 0.876 90 S HN 0.482 nan 8.310 nan 0.000 0.448 91 E N 0.738 120.827 120.200 -0.185 0.000 2.110 91 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 91 E C 2.058 178.549 176.600 -0.182 0.000 0.988 91 E CA 0.876 57.175 56.400 -0.168 0.000 0.804 91 E CB -0.310 29.281 29.700 -0.182 0.000 0.745 91 E HN 0.441 nan 8.360 nan 0.000 0.458 92 L N 0.573 121.642 121.223 -0.257 0.000 2.027 92 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 92 L C 2.634 179.492 176.870 -0.020 0.000 1.074 92 L CA 0.948 55.701 54.840 -0.146 0.000 0.745 92 L CB -0.543 41.463 42.059 -0.089 0.000 0.898 92 L HN 0.128 nan 8.230 nan 0.000 0.433 93 A N -0.465 122.368 122.820 0.022 0.000 2.032 93 A HA -0.236 4.084 4.320 -0.000 0.000 0.221 93 A C 1.673 179.260 177.584 0.005 0.000 1.165 93 A CA 2.053 54.120 52.037 0.051 0.000 0.645 93 A CB -0.426 18.585 19.000 0.018 0.000 0.807 93 A HN 0.369 nan 8.150 nan 0.000 0.453 94 D N -1.257 119.126 120.400 -0.029 0.000 2.349 94 D HA 0.324 4.964 4.640 -0.000 0.000 0.214 94 D C 1.347 177.629 176.300 -0.030 0.000 1.063 94 D CA 0.833 54.818 54.000 -0.025 0.000 0.847 94 D CB 0.287 41.069 40.800 -0.029 0.000 0.933 94 D HN 0.408 nan 8.370 nan 0.000 0.513 95 A N 0.180 122.973 122.820 -0.045 0.000 2.387 95 A HA 0.199 4.519 4.320 -0.000 0.000 0.234 95 A C 0.613 178.136 177.584 -0.101 0.000 1.253 95 A CA -0.178 51.821 52.037 -0.064 0.000 0.894 95 A CB 0.480 19.437 19.000 -0.072 0.000 0.963 95 A HN 0.073 nan 8.150 nan 0.000 0.508 96 V N 0.969 120.840 119.914 -0.071 0.000 2.328 96 V HA 0.395 4.515 4.120 -0.000 0.000 0.278 96 V C -1.688 174.396 176.094 -0.016 0.000 1.021 96 V CA -1.677 60.570 62.300 -0.088 0.000 0.838 96 V CB 1.374 33.195 31.823 -0.003 0.000 0.999 96 V HN 0.270 nan 8.190 nan 0.000 0.447 97 P HA 0.005 nan 4.420 nan 0.000 0.216 97 P C 0.329 177.695 177.300 0.110 0.000 1.153 97 P CA 1.371 64.503 63.100 0.054 0.000 0.848 97 P CB 0.072 31.816 31.700 0.074 0.000 0.787 98 T N -4.064 110.617 114.554 0.212 0.000 3.237 98 T HA 0.629 4.979 4.350 -0.000 0.000 0.319 98 T C 0.694 175.521 174.700 0.212 0.000 1.037 98 T CA -0.229 61.972 62.100 0.168 0.000 1.048 98 T CB 1.271 70.204 68.868 0.108 0.000 1.081 98 T HN -0.015 nan 8.240 nan 0.000 0.455 99 A N 3.537 126.445 122.820 0.147 0.000 1.978 99 A HA 0.233 4.553 4.320 -0.000 0.000 0.220 99 A C 2.537 180.175 177.584 0.090 0.000 1.170 99 A CA 2.068 54.188 52.037 0.138 0.000 0.636 99 A CB -1.157 17.898 19.000 0.092 0.000 0.810 99 A HN 1.542 nan 8.150 nan 0.000 0.448 100 A N 0.008 122.863 122.820 0.057 0.000 2.070 100 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 100 A C 1.476 179.053 177.584 -0.011 0.000 1.159 100 A CA 1.491 53.543 52.037 0.024 0.000 0.656 100 A CB -0.482 18.534 19.000 0.026 0.000 0.800 100 A HN 0.522 nan 8.150 nan 0.000 0.453 101 N N -0.167 118.490 118.700 -0.071 0.000 2.370 101 N HA 0.012 4.752 4.740 -0.000 0.000 0.198 101 N C 1.245 176.357 175.510 -0.662 0.000 1.156 101 N CA 0.542 53.427 53.050 -0.275 0.000 0.839 101 N CB 0.106 38.358 38.487 -0.392 0.000 0.989 101 N HN 0.258 nan 8.380 nan 0.000 0.468 102 V N 1.027 120.760 119.914 -0.303 0.000 2.380 102 V HA -0.277 3.843 4.120 -0.000 0.000 0.251 102 V C 1.847 177.839 176.094 -0.171 0.000 1.063 102 V CA 1.884 64.108 62.300 -0.127 0.000 1.055 102 V CB -0.076 31.774 31.823 0.044 0.000 0.657 102 V HN 0.324 nan 8.190 nan 0.000 0.455 103 E N -1.086 118.971 120.200 -0.238 0.000 2.085 103 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 103 E C 2.069 178.446 176.600 -0.373 0.000 0.994 103 E CA 1.952 58.157 56.400 -0.325 0.000 0.801 103 E CB -0.307 29.115 29.700 -0.464 0.000 0.743 103 E HN 0.817 nan 8.360 nan 0.000 0.453 104 Y N -0.206 119.944 120.300 -0.250 0.000 2.200 104 Y HA -0.201 4.349 4.550 0.000 0.000 0.290 104 Y C 2.124 177.972 175.900 -0.086 0.000 1.137 104 Y CA 1.267 59.251 58.100 -0.193 0.000 1.163 104 Y CB -0.711 37.607 38.460 -0.236 0.000 0.988 104 Y HN 0.162 nan 8.280 nan 0.000 0.518 105 Y N -0.812 119.547 120.300 0.099 0.000 2.145 105 Y HA -0.253 4.297 4.550 -0.000 0.000 0.286 105 Y C 2.638 178.510 175.900 -0.047 0.000 1.145 105 Y CA 0.219 58.334 58.100 0.024 0.000 1.148 105 Y CB -0.666 37.805 38.460 0.019 0.000 0.981 105 Y HN 0.104 nan 8.280 nan 0.000 0.507 106 A N 0.894 123.752 122.820 0.064 0.000 1.883 106 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 106 A C 2.183 179.711 177.584 -0.093 0.000 1.186 106 A CA 1.904 53.901 52.037 -0.066 0.000 0.624 106 A CB -0.710 18.236 19.000 -0.090 0.000 0.822 106 A HN 0.408 nan 8.150 nan 0.000 0.444 107 R N -0.770 119.687 120.500 -0.072 0.000 2.096 107 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 107 R C 2.032 178.311 176.300 -0.036 0.000 1.127 107 R CA 1.568 57.632 56.100 -0.060 0.000 0.968 107 R CB -0.499 29.765 30.300 -0.060 0.000 0.861 107 R HN 0.620 nan 8.270 nan 0.000 0.440 108 I N 0.123 120.692 120.570 -0.001 0.000 2.179 108 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 108 I C 2.255 178.339 176.117 -0.055 0.000 1.088 108 I CA 1.166 62.466 61.300 0.001 0.000 1.357 108 I CB -0.280 37.751 38.000 0.051 0.000 1.051 108 I HN -0.026 nan 8.210 nan 0.000 0.409 109 V N 0.727 120.578 119.914 -0.106 0.000 2.255 109 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 109 V C 2.513 178.491 176.094 -0.193 0.000 1.051 109 V CA 2.257 64.430 62.300 -0.211 0.000 1.018 109 V CB -0.755 30.810 31.823 -0.431 0.000 0.641 109 V HN 0.512 nan 8.190 nan 0.000 0.445 110 E N 0.185 120.283 120.200 -0.169 0.000 2.058 110 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 110 E C 2.215 178.771 176.600 -0.075 0.000 0.997 110 E CA 1.795 58.123 56.400 -0.120 0.000 0.801 110 E CB -0.132 29.515 29.700 -0.087 0.000 0.746 110 E HN 0.709 nan 8.360 nan 0.000 0.450 111 E N 0.249 120.414 120.200 -0.059 0.000 2.070 111 E HA -0.233 4.117 4.350 -0.000 0.000 0.197 111 E C 2.155 178.728 176.600 -0.044 0.000 1.004 111 E CA 1.408 57.784 56.400 -0.040 0.000 0.805 111 E CB -0.061 29.622 29.700 -0.028 0.000 0.744 111 E HN 0.121 nan 8.360 nan 0.000 0.451 112 K N 0.276 120.641 120.400 -0.059 0.000 2.288 112 K HA -0.047 4.273 4.320 -0.000 0.000 0.201 112 K C 2.193 178.759 176.600 -0.055 0.000 1.048 112 K CA 0.739 56.988 56.287 -0.063 0.000 0.956 112 K CB 0.007 32.462 32.500 -0.075 0.000 0.746 112 K HN -0.063 nan 8.250 nan 0.000 0.461 113 S N -0.186 115.482 115.700 -0.054 0.000 2.377 113 S HA -0.073 4.397 4.470 -0.000 0.000 0.223 113 S C 1.895 176.487 174.600 -0.013 0.000 1.030 113 S CA 0.879 59.063 58.200 -0.028 0.000 0.970 113 S CB -0.104 63.068 63.200 -0.047 0.000 0.830 113 S HN 0.053 nan 8.310 nan 0.000 0.473 114 V N 2.209 122.111 119.914 -0.021 0.000 2.343 114 V HA -0.125 3.995 4.120 -0.000 0.000 0.247 114 V C 2.477 178.566 176.094 -0.010 0.000 1.051 114 V CA 1.794 64.087 62.300 -0.011 0.000 1.036 114 V CB -0.716 31.099 31.823 -0.014 0.000 0.654 114 V HN 0.468 nan 8.190 nan 0.000 0.451 115 L N -0.648 120.564 121.223 -0.018 0.000 2.046 115 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 115 L C 2.831 179.692 176.870 -0.014 0.000 1.077 115 L CA 1.676 56.505 54.840 -0.019 0.000 0.747 115 L CB -0.510 41.530 42.059 -0.030 0.000 0.896 115 L HN 0.246 nan 8.230 nan 0.000 0.432 116 R N -0.341 120.152 120.500 -0.012 0.000 2.096 116 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 116 R C 2.671 178.981 176.300 0.017 0.000 1.127 116 R CA 1.611 57.714 56.100 0.004 0.000 0.968 116 R CB -0.456 29.859 30.300 0.026 0.000 0.861 116 R HN 0.365 nan 8.270 nan 0.000 0.440 117 R N 1.034 121.543 120.500 0.016 0.000 2.115 117 R HA -0.058 4.282 4.340 -0.000 0.000 0.230 117 R C 2.071 178.379 176.300 0.013 0.000 1.111 117 R CA 1.371 57.482 56.100 0.018 0.000 0.976 117 R CB -1.228 29.082 30.300 0.017 0.000 0.870 117 R HN 0.144 nan 8.270 nan 0.000 0.445 118 L N 0.664 121.891 121.223 0.007 0.000 1.994 118 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 118 L C 2.436 179.311 176.870 0.008 0.000 1.071 118 L CA 1.822 56.665 54.840 0.005 0.000 0.745 118 L CB -0.386 41.673 42.059 -0.000 0.000 0.892 118 L HN 0.436 nan 8.230 nan 0.000 0.431 119 I N -0.750 119.824 120.570 0.007 0.000 2.163 119 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 119 I C 2.766 178.894 176.117 0.017 0.000 1.085 119 I CA 1.577 62.882 61.300 0.010 0.000 1.347 119 I CB -0.448 37.555 38.000 0.005 0.000 1.044 119 I HN 0.328 nan 8.210 nan 0.000 0.408 120 R N 0.667 121.179 120.500 0.021 0.000 2.073 120 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 120 R C 2.496 178.811 176.300 0.024 0.000 1.134 120 R CA 2.303 58.419 56.100 0.026 0.000 0.952 120 R CB -0.332 29.986 30.300 0.030 0.000 0.850 120 R HN 0.519 nan 8.270 nan 0.000 0.433 121 T N -2.057 112.510 114.554 0.020 0.000 2.857 121 T HA 0.073 4.423 4.350 -0.000 0.000 0.266 121 T C 1.995 176.706 174.700 0.019 0.000 1.048 121 T CA 0.855 62.967 62.100 0.019 0.000 1.139 121 T CB -0.186 68.691 68.868 0.015 0.000 0.874 121 T HN 0.282 nan 8.240 nan 0.000 0.455 122 A N 1.841 124.671 122.820 0.017 0.000 1.877 122 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 122 A C 2.651 180.251 177.584 0.027 0.000 1.186 122 A CA 2.273 54.320 52.037 0.018 0.000 0.620 122 A CB -1.625 17.384 19.000 0.014 0.000 0.822 122 A HN 0.536 nan 8.150 nan 0.000 0.443 123 T N -0.400 114.172 114.554 0.031 0.000 2.684 123 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 123 T C 2.277 177.006 174.700 0.048 0.000 1.036 123 T CA 1.884 64.009 62.100 0.041 0.000 1.148 123 T CB -0.414 68.475 68.868 0.035 0.000 0.863 123 T HN 0.561 nan 8.240 nan 0.000 0.436 124 S N 0.447 116.170 115.700 0.038 0.000 2.370 124 S HA -0.079 4.391 4.470 -0.000 0.000 0.226 124 S C 2.027 176.650 174.600 0.039 0.000 1.033 124 S CA 1.040 59.263 58.200 0.038 0.000 1.011 124 S CB -0.513 62.705 63.200 0.028 0.000 0.852 124 S HN 0.479 nan 8.310 nan 0.000 0.457 125 I N 1.534 122.123 120.570 0.030 0.000 2.202 125 I HA -0.138 4.032 4.170 -0.000 0.000 0.242 125 I C 2.858 178.990 176.117 0.025 0.000 1.091 125 I CA 1.082 62.394 61.300 0.020 0.000 1.368 125 I CB -0.642 37.363 38.000 0.009 0.000 1.058 125 I HN 0.377 nan 8.210 nan 0.000 0.410 126 A N 0.330 123.175 122.820 0.043 0.000 1.892 126 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 126 A C 2.266 179.947 177.584 0.161 0.000 1.188 126 A CA 1.975 54.054 52.037 0.070 0.000 0.631 126 A CB -0.808 18.260 19.000 0.114 0.000 0.822 126 A HN 0.475 nan 8.150 nan 0.000 0.447 127 Q N -0.702 119.203 119.800 0.176 0.000 2.030 127 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 127 Q C 1.743 177.850 176.000 0.178 0.000 0.986 127 Q CA 1.786 57.718 55.803 0.215 0.000 0.843 127 Q CB -0.319 28.485 28.738 0.109 0.000 0.904 127 Q HN 0.642 nan 8.270 nan 0.000 0.420 128 D N -0.326 120.128 120.400 0.090 0.000 2.190 128 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 128 D C 1.749 178.066 176.300 0.029 0.000 0.992 128 D CA 1.320 55.352 54.000 0.054 0.000 0.854 128 D CB -0.519 40.298 40.800 0.028 0.000 0.936 128 D HN 0.424 nan 8.370 nan 0.000 0.462 129 G N -0.683 108.109 108.800 -0.014 0.000 2.442 129 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 129 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 129 G C 1.231 176.039 174.900 -0.154 0.000 1.141 129 G CA 0.646 45.668 45.100 -0.129 0.000 0.763 129 G HN 0.329 nan 8.290 nan 0.000 0.554 130 Y N 1.076 121.378 120.300 0.002 0.000 2.286 130 Y HA 0.030 4.580 4.550 -0.000 0.000 0.293 130 Y C 3.056 178.957 175.900 0.002 0.000 1.124 130 Y CA 1.248 59.349 58.100 0.002 0.000 1.178 130 Y CB -0.444 38.018 38.460 0.002 0.000 1.010 130 Y HN 0.109 nan 8.280 nan 0.000 0.536 131 T N 0.730 115.381 114.554 0.161 0.000 3.127 131 T HA -0.033 4.317 4.350 -0.000 0.000 0.207 131 T C 0.334 175.065 174.700 0.052 0.000 0.912 131 T CA -0.200 61.953 62.100 0.090 0.000 2.256 131 T CB -0.581 68.329 68.868 0.070 0.000 1.591 131 T HN 0.147 nan 8.240 nan 0.000 0.397 132 R N 2.356 122.878 120.500 0.037 0.000 2.501 132 R HA 0.080 4.420 4.340 -0.000 0.000 0.319 132 R C 0.107 176.414 176.300 0.012 0.000 0.913 132 R CA 0.553 56.666 56.100 0.021 0.000 1.104 132 R CB -0.114 30.195 30.300 0.016 0.000 0.901 132 R HN 0.620 nan 8.270 nan 0.000 0.407 133 E N 1.059 121.265 120.200 0.010 0.000 2.904 133 E HA -0.006 4.344 4.350 -0.000 0.000 0.162 133 E C -0.961 175.640 176.600 0.001 0.000 0.909 133 E CA 0.098 56.499 56.400 0.003 0.000 1.368 133 E CB 0.315 30.020 29.700 0.008 0.000 1.007 133 E HN 0.877 nan 8.360 nan 0.000 0.451 134 D N -0.406 119.996 120.400 0.002 0.000 3.235 134 D HA -0.164 4.476 4.640 -0.000 0.000 0.237 134 D C 0.701 177.001 176.300 0.001 0.000 0.681 134 D CA 1.740 55.742 54.000 0.003 0.000 1.925 134 D CB -0.789 40.015 40.800 0.006 0.000 1.264 134 D HN 0.156 nan 8.370 nan 0.000 0.631 135 E N -0.751 119.448 120.200 -0.001 0.000 2.940 135 E HA 0.323 4.673 4.350 -0.000 0.000 0.203 135 E C 1.646 178.243 176.600 -0.005 0.000 0.995 135 E CA 0.498 56.897 56.400 -0.002 0.000 1.396 135 E CB 1.367 31.067 29.700 -0.000 0.000 1.310 135 E HN 0.468 nan 8.360 nan 0.000 0.613 136 I N 0.150 120.716 120.570 -0.008 0.000 4.352 136 I HA -0.493 3.677 4.170 -0.000 0.000 0.074 136 I C 0.949 177.059 176.117 -0.010 0.000 0.580 136 I CA 2.554 63.847 61.300 -0.012 0.000 1.060 136 I CB -1.209 36.782 38.000 -0.016 0.000 0.947 136 I HN 0.041 nan 8.210 nan 0.000 0.174 137 D N 1.078 121.474 120.400 -0.007 0.000 2.144 137 D HA -0.039 4.601 4.640 -0.000 0.000 0.199 137 D C 2.277 178.574 176.300 -0.005 0.000 0.984 137 D CA 2.251 56.247 54.000 -0.006 0.000 0.834 137 D CB -0.147 40.650 40.800 -0.005 0.000 0.955 137 D HN 0.533 nan 8.370 nan 0.000 0.465 138 V N 1.186 121.098 119.914 -0.003 0.000 2.358 138 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 138 V C 2.727 178.819 176.094 -0.002 0.000 1.047 138 V CA 0.926 63.225 62.300 -0.002 0.000 1.035 138 V CB -0.456 31.367 31.823 0.000 0.000 0.658 138 V HN 0.152 nan 8.190 nan 0.000 0.452 139 L N -0.674 120.546 121.223 -0.004 0.000 2.013 139 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 139 L C 2.419 179.285 176.870 -0.008 0.000 1.073 139 L CA 1.792 56.629 54.840 -0.006 0.000 0.753 139 L CB -0.422 41.630 42.059 -0.011 0.000 0.890 139 L HN 0.298 nan 8.230 nan 0.000 0.432 140 L N -0.906 120.312 121.223 -0.010 0.000 2.056 140 L HA -0.231 4.109 4.340 -0.000 0.000 0.207 140 L C 2.176 179.042 176.870 -0.006 0.000 1.078 140 L CA 1.130 55.965 54.840 -0.010 0.000 0.749 140 L CB -0.632 41.420 42.059 -0.011 0.000 0.901 140 L HN 0.274 nan 8.230 nan 0.000 0.433 141 D N 0.099 120.497 120.400 -0.004 0.000 2.097 141 D HA -0.210 4.430 4.640 -0.000 0.000 0.195 141 D C 2.049 178.349 176.300 -0.000 0.000 0.989 141 D CA 1.569 55.568 54.000 -0.002 0.000 0.827 141 D CB -0.163 40.636 40.800 -0.001 0.000 0.966 141 D HN 0.526 nan 8.370 nan 0.000 0.456 142 E N 0.718 120.918 120.200 0.000 0.000 2.204 142 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 142 E C 1.944 178.545 176.600 0.002 0.000 0.989 142 E CA 1.068 57.469 56.400 0.003 0.000 0.824 142 E CB -0.165 29.538 29.700 0.004 0.000 0.756 142 E HN 0.199 nan 8.360 nan 0.000 0.477 143 A N 1.852 124.672 122.820 -0.000 0.000 1.898 143 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 143 A C 1.705 179.288 177.584 -0.000 0.000 1.181 143 A CA 1.625 53.662 52.037 -0.001 0.000 0.620 143 A CB -0.354 18.643 19.000 -0.005 0.000 0.819 143 A HN 0.141 nan 8.150 nan 0.000 0.442 144 D N -0.511 119.889 120.400 -0.001 0.000 2.087 144 D HA -0.179 4.461 4.640 -0.000 0.000 0.192 144 D C 2.086 178.387 176.300 0.001 0.000 0.993 144 D CA 1.503 55.503 54.000 -0.001 0.000 0.828 144 D CB -0.416 40.383 40.800 -0.001 0.000 0.968 144 D HN 0.472 nan 8.370 nan 0.000 0.448 145 R N 0.960 121.461 120.500 0.002 0.000 2.094 145 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 145 R C 2.036 178.339 176.300 0.006 0.000 1.137 145 R CA 1.590 57.692 56.100 0.004 0.000 0.943 145 R CB 0.029 30.332 30.300 0.005 0.000 0.850 145 R HN 0.120 nan 8.270 nan 0.000 0.433 146 K N -0.008 120.396 120.400 0.006 0.000 2.097 146 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 146 K C 2.130 178.734 176.600 0.007 0.000 1.049 146 K CA 1.081 57.373 56.287 0.008 0.000 0.933 146 K CB -0.076 32.429 32.500 0.009 0.000 0.717 146 K HN 0.250 nan 8.250 nan 0.000 0.442 147 I N 1.290 121.863 120.570 0.005 0.000 2.252 147 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 147 I C 2.293 178.412 176.117 0.003 0.000 1.102 147 I CA 1.257 62.560 61.300 0.004 0.000 1.385 147 I CB -0.619 37.382 38.000 0.002 0.000 1.064 147 I HN 0.222 nan 8.210 nan 0.000 0.414 148 M N 0.070 119.672 119.600 0.003 0.000 2.159 148 M HA -0.192 4.288 4.480 -0.000 0.000 0.263 148 M C 2.005 178.307 176.300 0.004 0.000 1.063 148 M CA 1.448 56.750 55.300 0.002 0.000 1.110 148 M CB -1.387 31.215 32.600 0.003 0.000 1.374 148 M HN 0.271 nan 8.290 nan 0.000 0.411 149 E N 0.080 120.284 120.200 0.006 0.000 2.267 149 E HA -0.130 4.220 4.350 -0.000 0.000 0.197 149 E C 2.115 178.720 176.600 0.008 0.000 0.998 149 E CA 0.955 57.360 56.400 0.008 0.000 0.830 149 E CB -0.081 29.626 29.700 0.011 0.000 0.751 149 E HN 0.303 nan 8.360 nan 0.000 0.491 150 V N 0.353 120.271 119.914 0.007 0.000 2.358 150 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 150 V C 2.341 178.437 176.094 0.003 0.000 1.047 150 V CA 1.782 64.086 62.300 0.006 0.000 1.035 150 V CB -0.355 31.471 31.823 0.005 0.000 0.658 150 V HN 0.238 nan 8.190 nan 0.000 0.452 151 S N -0.627 115.073 115.700 -0.000 0.000 2.345 151 S HA -0.163 4.307 4.470 -0.000 0.000 0.220 151 S C 1.373 175.970 174.600 -0.006 0.000 1.031 151 S CA 1.021 59.218 58.200 -0.005 0.000 0.996 151 S CB -0.274 62.922 63.200 -0.007 0.000 0.882 151 S HN 0.546 nan 8.310 nan 0.000 0.445 152 Q N 1.181 120.980 119.800 -0.003 0.000 2.780 152 Q HA 0.353 4.693 4.340 -0.000 0.000 0.234 152 Q C 0.619 176.622 176.000 0.005 0.000 1.355 152 Q CA 0.354 56.156 55.803 -0.002 0.000 0.919 152 Q CB 0.165 28.904 28.738 0.002 0.000 1.645 152 Q HN 0.430 nan 8.270 nan 0.000 0.568 153 R N -0.091 120.412 120.500 0.005 0.000 3.359 153 R HA 0.142 4.482 4.340 -0.000 0.000 0.098 153 R C -0.310 176.003 176.300 0.022 0.000 0.779 153 R CA -0.318 55.792 56.100 0.016 0.000 1.967 153 R CB 0.484 30.793 30.300 0.015 0.000 1.617 153 R HN 0.204 nan 8.270 nan 0.000 0.469 154 K N 1.457 121.863 120.400 0.010 0.000 2.527 154 K HA -0.097 4.223 4.320 -0.000 0.000 0.278 154 K C -0.407 176.211 176.600 0.029 0.000 0.981 154 K CA 0.442 56.739 56.287 0.017 0.000 1.009 154 K CB 0.205 32.702 32.500 -0.005 0.000 0.895 154 K HN 0.150 nan 8.250 nan 0.000 0.493 155 H N 1.492 120.542 119.070 -0.033 0.000 3.086 155 H HA 0.070 4.626 4.556 -0.000 0.000 0.265 155 H C -0.600 174.698 175.328 -0.050 0.000 1.092 155 H CA 0.280 56.307 56.048 -0.035 0.000 1.487 155 H CB 0.254 29.995 29.762 -0.034 0.000 1.514 155 H HN 0.393 nan 8.280 nan 0.000 0.497 156 S N 2.830 118.263 115.700 -0.445 0.000 2.748 156 S HA 0.729 5.199 4.470 -0.000 0.000 0.299 156 S C 0.374 174.657 174.600 -0.530 0.000 1.119 156 S CA -0.295 57.669 58.200 -0.394 0.000 0.997 156 S CB 1.204 64.262 63.200 -0.236 0.000 1.223 156 S HN 1.241 nan 8.310 nan 0.000 0.541 157 G N 0.199 108.777 108.800 -0.371 0.000 2.750 157 G HA2 0.216 4.176 3.960 -0.000 0.000 0.228 157 G HA3 0.216 4.176 3.960 -0.000 0.000 0.228 157 G C -0.241 174.516 174.900 -0.237 0.000 1.367 157 G CA -0.391 44.508 45.100 -0.335 0.000 0.871 157 G HN 1.216 nan 8.290 nan 0.000 0.560 158 A N -0.996 121.739 122.820 -0.142 0.000 2.261 158 A HA 0.845 5.165 4.320 -0.000 0.000 0.323 158 A C -0.142 177.366 177.584 -0.125 0.000 1.107 158 A CA -0.472 51.491 52.037 -0.123 0.000 0.883 158 A CB 0.661 19.660 19.000 -0.002 0.000 1.251 158 A HN 1.178 nan 8.150 nan 0.000 0.502 159 F N 1.460 121.395 119.950 -0.025 0.000 2.495 159 F HA 0.198 4.725 4.527 -0.000 0.000 0.365 159 F C 1.390 177.185 175.800 -0.009 0.000 1.090 159 F CA 0.271 58.261 58.000 -0.017 0.000 1.235 159 F CB 0.830 39.822 39.000 -0.014 0.000 1.119 159 F HN 0.424 nan 8.300 nan 0.000 0.562 160 K N 2.512 123.022 120.400 0.183 0.000 2.339 160 K HA 0.164 4.484 4.320 -0.000 0.000 0.286 160 K C -0.481 176.182 176.600 0.106 0.000 1.050 160 K CA -0.607 55.746 56.287 0.111 0.000 0.956 160 K CB 0.560 33.103 32.500 0.072 0.000 0.990 160 K HN 0.479 nan 8.250 nan 0.000 0.475 161 N N 2.897 121.640 118.700 0.072 0.000 2.530 161 N HA -0.009 4.731 4.740 -0.000 0.000 0.273 161 N C 0.881 176.407 175.510 0.027 0.000 1.173 161 N CA -0.300 52.774 53.050 0.039 0.000 0.967 161 N CB 0.674 39.177 38.487 0.027 0.000 1.109 161 N HN 0.794 nan 8.380 nan 0.000 0.453 162 I N 2.711 123.288 120.570 0.012 0.000 2.264 162 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 162 I C 1.738 177.862 176.117 0.011 0.000 1.111 162 I CA 1.425 62.731 61.300 0.010 0.000 1.382 162 I CB 0.039 38.038 38.000 -0.002 0.000 1.060 162 I HN 0.634 nan 8.210 nan 0.000 0.418 163 K N 0.526 120.929 120.400 0.005 0.000 2.044 163 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 163 K C 1.697 178.304 176.600 0.010 0.000 1.049 163 K CA 2.061 58.349 56.287 0.002 0.000 0.927 163 K CB -0.310 32.188 32.500 -0.003 0.000 0.713 163 K HN 0.460 nan 8.250 nan 0.000 0.443 164 D N 0.678 121.088 120.400 0.017 0.000 2.144 164 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 164 D C 1.948 178.267 176.300 0.031 0.000 0.978 164 D CA 1.060 55.075 54.000 0.024 0.000 0.833 164 D CB -0.149 40.668 40.800 0.027 0.000 0.961 164 D HN 0.254 nan 8.370 nan 0.000 0.470 165 I N 0.669 121.259 120.570 0.033 0.000 2.353 165 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 165 I C 2.448 178.592 176.117 0.045 0.000 1.119 165 I CA 0.445 61.768 61.300 0.038 0.000 1.417 165 I CB -0.150 37.872 38.000 0.036 0.000 1.078 165 I HN -0.077 nan 8.210 nan 0.000 0.421 166 L N 0.111 121.358 121.223 0.040 0.000 2.079 166 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 166 L C 2.618 179.536 176.870 0.079 0.000 1.081 166 L CA 1.103 55.974 54.840 0.052 0.000 0.752 166 L CB -0.688 41.387 42.059 0.025 0.000 0.896 166 L HN 0.110 nan 8.230 nan 0.000 0.433 167 V N -0.472 119.476 119.914 0.057 0.000 2.261 167 V HA -0.325 3.795 4.120 -0.000 0.000 0.246 167 V C 2.462 178.616 176.094 0.100 0.000 1.047 167 V CA 1.847 64.189 62.300 0.071 0.000 1.015 167 V CB -0.583 31.263 31.823 0.039 0.000 0.642 167 V HN 0.493 nan 8.190 nan 0.000 0.446 168 Q N -0.522 119.321 119.800 0.071 0.000 2.096 168 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 168 Q C 2.352 178.393 176.000 0.069 0.000 0.982 168 Q CA 2.127 57.968 55.803 0.063 0.000 0.850 168 Q CB -0.414 28.352 28.738 0.047 0.000 0.901 168 Q HN 0.629 nan 8.270 nan 0.000 0.422 169 T N -0.020 114.581 114.554 0.078 0.000 2.708 169 T HA -0.198 4.152 4.350 -0.000 0.000 0.266 169 T C 1.430 176.182 174.700 0.086 0.000 1.037 169 T CA 1.292 63.436 62.100 0.074 0.000 1.146 169 T CB -0.412 68.502 68.868 0.075 0.000 0.865 169 T HN 0.344 nan 8.240 nan 0.000 0.435 170 Y N 1.938 122.242 120.300 0.006 0.000 2.200 170 Y HA -0.118 4.432 4.550 0.000 0.000 0.290 170 Y C 2.131 178.032 175.900 0.002 0.000 1.137 170 Y CA 1.260 59.359 58.100 -0.002 0.000 1.163 170 Y CB -0.206 38.249 38.460 -0.008 0.000 0.988 170 Y HN 0.151 nan 8.280 nan 0.000 0.518 171 D N -0.440 120.032 120.400 0.120 0.000 2.218 171 D HA -0.172 4.468 4.640 -0.000 0.000 0.204 171 D C 1.685 177.982 176.300 -0.005 0.000 0.976 171 D CA 1.160 55.193 54.000 0.055 0.000 0.853 171 D CB -0.357 40.489 40.800 0.077 0.000 0.939 171 D HN 0.418 nan 8.370 nan 0.000 0.481 172 N N 0.413 119.110 118.700 -0.005 0.000 2.109 172 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 172 N C 1.706 177.197 175.510 -0.031 0.000 1.034 172 N CA 0.699 53.745 53.050 -0.006 0.000 0.846 172 N CB 0.017 38.511 38.487 0.010 0.000 1.010 172 N HN -0.066 nan 8.380 nan 0.000 0.425 173 I N 1.384 121.897 120.570 -0.094 0.000 2.335 173 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 173 I C 1.898 177.926 176.117 -0.149 0.000 1.129 173 I CA 1.182 62.404 61.300 -0.129 0.000 1.402 173 I CB -1.271 36.551 38.000 -0.297 0.000 1.069 173 I HN 0.328 nan 8.210 nan 0.000 0.424 174 E N 0.700 120.769 120.200 -0.219 0.000 2.031 174 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 174 E C 2.311 178.904 176.600 -0.012 0.000 0.994 174 E CA 1.255 57.572 56.400 -0.137 0.000 0.800 174 E CB -0.303 29.342 29.700 -0.092 0.000 0.752 174 E HN 0.505 nan 8.360 nan 0.000 0.447 175 M N 0.353 119.953 119.600 -0.000 0.000 2.159 175 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 175 M C 2.440 178.761 176.300 0.034 0.000 1.063 175 M CA 1.153 56.465 55.300 0.020 0.000 1.110 175 M CB -0.348 32.262 32.600 0.016 0.000 1.374 175 M HN 0.042 nan 8.290 nan 0.000 0.411 176 L N -1.324 119.931 121.223 0.053 0.000 2.201 176 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 176 L C 2.281 179.141 176.870 -0.017 0.000 1.105 176 L CA 0.924 55.785 54.840 0.035 0.000 0.775 176 L CB -0.619 41.474 42.059 0.057 0.000 0.913 176 L HN 0.416 nan 8.230 nan 0.000 0.440 177 H N -2.307 116.737 119.070 -0.043 0.000 2.557 177 H HA 0.061 4.617 4.556 -0.000 0.000 0.281 177 H C 1.184 176.497 175.328 -0.025 0.000 0.990 177 H CA 0.283 56.310 56.048 -0.035 0.000 1.278 177 H CB 0.344 30.077 29.762 -0.050 0.000 1.451 177 H HN 0.195 nan 8.280 nan 0.000 0.516 178 N N 1.653 120.412 118.700 0.099 0.000 2.627 178 N HA -0.101 4.639 4.740 -0.000 0.000 0.196 178 N C 0.237 175.763 175.510 0.027 0.000 1.268 178 N CA 0.078 53.157 53.050 0.049 0.000 0.904 178 N CB -0.203 38.304 38.487 0.034 0.000 1.016 178 N HN -0.069 nan 8.380 nan 0.000 0.448 179 R N 1.251 121.760 120.500 0.016 0.000 2.387 179 R HA 0.173 4.513 4.340 -0.000 0.000 0.321 179 R C -1.318 174.980 176.300 -0.004 0.000 1.174 179 R CA 0.125 56.224 56.100 -0.001 0.000 1.002 179 R CB -0.576 29.712 30.300 -0.019 0.000 1.028 179 R HN 0.052 nan 8.270 nan 0.000 0.482 180 D N 1.486 121.887 120.400 0.001 0.000 2.891 180 D HA 0.424 5.064 4.640 -0.000 0.000 0.224 180 D C 0.250 176.551 176.300 0.001 0.000 1.321 180 D CA -0.083 53.917 54.000 0.000 0.000 0.929 180 D CB 1.954 42.757 40.800 0.004 0.000 1.551 180 D HN 0.497 nan 8.370 nan 0.000 0.574 181 G N 2.065 110.863 108.800 -0.003 0.000 4.476 181 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.169 181 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.169 181 G C -0.032 174.862 174.900 -0.010 0.000 0.802 181 G CA -0.460 44.636 45.100 -0.007 0.000 0.782 181 G HN 0.410 nan 8.290 nan 0.000 0.461 182 E N 0.855 121.051 120.200 -0.008 0.000 2.373 182 E HA 0.451 4.801 4.350 -0.000 0.000 0.267 182 E C -0.404 176.188 176.600 -0.014 0.000 1.032 182 E CA -0.388 56.006 56.400 -0.010 0.000 0.889 182 E CB 1.364 31.061 29.700 -0.005 0.000 0.984 182 E HN 0.207 nan 8.360 nan 0.000 0.425 183 I N 3.597 124.155 120.570 -0.019 0.000 2.276 183 I HA 0.001 4.171 4.170 -0.000 0.000 0.290 183 I C 1.313 177.420 176.117 -0.017 0.000 1.109 183 I CA -0.222 61.063 61.300 -0.026 0.000 1.229 183 I CB 0.856 38.831 38.000 -0.041 0.000 1.452 183 I HN 0.751 nan 8.210 nan 0.000 0.497 184 T N 3.620 118.169 114.554 -0.008 0.000 2.951 184 T HA 0.052 4.402 4.350 -0.000 0.000 0.268 184 T C 1.077 175.781 174.700 0.006 0.000 1.073 184 T CA 1.294 63.395 62.100 0.001 0.000 1.134 184 T CB 0.049 68.921 68.868 0.007 0.000 0.884 184 T HN 0.724 nan 8.240 nan 0.000 0.479 185 G N 0.816 109.620 108.800 0.007 0.000 2.940 185 G HA2 0.517 4.477 3.960 -0.000 0.000 0.164 185 G HA3 0.517 4.477 3.960 -0.000 0.000 0.164 185 G C -0.567 174.338 174.900 0.007 0.000 1.326 185 G CA -0.692 44.421 45.100 0.022 0.000 1.020 185 G HN 0.286 nan 8.290 nan 0.000 0.586 186 I N 2.865 123.449 120.570 0.024 0.000 2.322 186 I HA 0.243 4.413 4.170 -0.000 0.000 0.292 186 I C -2.021 174.058 176.117 -0.063 0.000 1.060 186 I CA -2.500 58.802 61.300 0.004 0.000 1.309 186 I CB 0.518 38.549 38.000 0.051 0.000 1.415 186 I HN 0.136 nan 8.210 nan 0.000 0.492 187 P HA 0.063 nan 4.420 nan 0.000 0.265 187 P C 0.582 177.763 177.300 -0.198 0.000 1.193 187 P CA 0.147 63.163 63.100 -0.139 0.000 0.765 187 P CB 0.857 32.493 31.700 -0.106 0.000 0.823 188 T N 1.072 115.454 114.554 -0.287 0.000 3.044 188 T HA 0.183 4.533 4.350 -0.000 0.000 0.255 188 T C 1.402 175.799 174.700 -0.505 0.000 1.073 188 T CA 1.027 62.901 62.100 -0.377 0.000 1.125 188 T CB -0.379 68.224 68.868 -0.442 0.000 0.908 188 T HN 0.708 nan 8.240 nan 0.000 0.480 189 G N 1.225 109.780 108.800 -0.409 0.000 2.213 189 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.236 189 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.236 189 G C 0.177 174.823 174.900 -0.424 0.000 0.991 189 G CA -0.480 44.346 45.100 -0.458 0.000 0.629 189 G HN 0.556 nan 8.290 nan 0.000 0.517 190 F N 2.745 122.652 119.950 -0.072 0.000 2.318 190 F HA 0.349 4.876 4.527 0.000 0.000 0.356 190 F C 2.027 177.800 175.800 -0.045 0.000 1.109 190 F CA -0.101 57.880 58.000 -0.032 0.000 1.234 190 F CB 0.916 39.912 39.000 -0.006 0.000 1.545 190 F HN 0.143 nan 8.300 nan 0.000 0.534 191 T N -2.608 112.011 114.554 0.108 0.000 2.751 191 T HA -0.328 4.022 4.350 -0.000 0.000 0.268 191 T C 1.539 176.262 174.700 0.038 0.000 1.045 191 T CA 2.043 64.167 62.100 0.040 0.000 1.142 191 T CB -0.195 68.690 68.868 0.028 0.000 0.851 191 T HN 0.603 nan 8.240 nan 0.000 0.474 192 E N -0.059 120.183 120.200 0.070 0.000 2.158 192 E HA 0.060 4.410 4.350 -0.000 0.000 0.191 192 E C 1.962 178.584 176.600 0.038 0.000 0.982 192 E CA 0.413 56.839 56.400 0.043 0.000 0.823 192 E CB -0.131 29.595 29.700 0.042 0.000 0.766 192 E HN 0.448 nan 8.360 nan 0.000 0.468 193 L N 0.941 122.205 121.223 0.068 0.000 2.179 193 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 193 L C 1.215 178.059 176.870 -0.043 0.000 1.096 193 L CA 1.608 56.474 54.840 0.043 0.000 0.779 193 L CB -0.006 42.120 42.059 0.111 0.000 0.922 193 L HN -0.005 nan 8.230 nan 0.000 0.443 194 D N -0.649 119.717 120.400 -0.058 0.000 2.183 194 D HA -0.111 4.529 4.640 -0.000 0.000 0.203 194 D C 2.252 178.520 176.300 -0.052 0.000 0.969 194 D CA 0.695 54.638 54.000 -0.095 0.000 0.842 194 D CB -0.034 40.711 40.800 -0.092 0.000 0.957 194 D HN 0.276 nan 8.370 nan 0.000 0.484 195 R N -0.188 120.295 120.500 -0.027 0.000 2.083 195 R HA -0.080 4.260 4.340 -0.000 0.000 0.237 195 R C 2.309 178.601 176.300 -0.013 0.000 1.137 195 R CA 1.197 57.285 56.100 -0.019 0.000 0.951 195 R CB -0.156 30.134 30.300 -0.018 0.000 0.851 195 R HN 0.251 nan 8.270 nan 0.000 0.434 196 M N -0.727 118.868 119.600 -0.007 0.000 2.123 196 M HA -0.105 4.375 4.480 -0.000 0.000 0.263 196 M C 2.441 178.752 176.300 0.018 0.000 1.069 196 M CA 2.009 57.314 55.300 0.008 0.000 1.133 196 M CB -0.343 32.269 32.600 0.020 0.000 1.356 196 M HN 0.296 nan 8.290 nan 0.000 0.415 197 T N -2.586 111.975 114.554 0.011 0.000 2.706 197 T HA 0.041 4.391 4.350 -0.000 0.000 0.255 197 T C 1.030 175.738 174.700 0.012 0.000 1.048 197 T CA 1.007 63.128 62.100 0.035 0.000 1.153 197 T CB -0.208 68.674 68.868 0.023 0.000 0.865 197 T HN 0.381 nan 8.240 nan 0.000 0.414 198 S N 0.154 115.832 115.700 -0.036 0.000 3.362 198 S HA -0.034 4.436 4.470 -0.000 0.000 0.278 198 S C 0.672 175.255 174.600 -0.029 0.000 1.288 198 S CA 0.178 58.360 58.200 -0.029 0.000 0.850 198 S CB -1.767 61.430 63.200 -0.004 0.000 1.062 198 S HN 1.095 nan 8.310 nan 0.000 0.671 199 G N 0.232 108.999 108.800 -0.056 0.000 3.198 199 G HA2 0.640 4.600 3.960 -0.000 0.000 0.203 199 G HA3 0.640 4.600 3.960 -0.000 0.000 0.203 199 G C -0.395 174.487 174.900 -0.030 0.000 1.950 199 G CA -0.468 44.537 45.100 -0.158 0.000 0.798 199 G HN 0.221 nan 8.290 nan 0.000 0.720 200 F N 2.164 122.117 119.950 0.005 0.000 2.472 200 F HA 0.429 4.956 4.527 -0.000 0.000 0.364 200 F C 0.863 176.664 175.800 0.003 0.000 1.090 200 F CA -0.698 57.307 58.000 0.007 0.000 1.188 200 F CB 0.731 39.735 39.000 0.007 0.000 1.105 200 F HN 0.158 nan 8.300 nan 0.000 0.536 201 Q N 2.767 122.688 119.800 0.202 0.000 2.257 201 Q HA 0.466 4.806 4.340 -0.000 0.000 0.262 201 Q C -0.167 175.876 176.000 0.071 0.000 0.997 201 Q CA -1.194 54.672 55.803 0.104 0.000 0.873 201 Q CB 1.914 30.697 28.738 0.076 0.000 1.312 201 Q HN 0.502 nan 8.270 nan 0.000 0.450 202 R N 0.583 121.113 120.500 0.050 0.000 2.585 202 R HA -0.029 4.311 4.340 -0.000 0.000 0.275 202 R C 0.203 176.517 176.300 0.023 0.000 1.018 202 R CA 0.649 56.769 56.100 0.033 0.000 1.072 202 R CB 0.130 30.445 30.300 0.025 0.000 0.953 202 R HN 0.849 nan 8.270 nan 0.000 0.419 203 S N -0.377 115.331 115.700 0.014 0.000 2.691 203 S HA -0.145 4.325 4.470 -0.000 0.000 0.262 203 S C -0.293 174.306 174.600 -0.002 0.000 1.284 203 S CA 1.406 59.609 58.200 0.004 0.000 1.372 203 S CB -0.828 62.375 63.200 0.005 0.000 1.693 203 S HN 0.752 nan 8.310 nan 0.000 0.647 204 D N 0.937 121.337 120.400 0.000 0.000 2.304 204 D HA 0.510 5.150 4.640 -0.000 0.000 0.250 204 D C -0.244 176.030 176.300 -0.044 0.000 1.107 204 D CA -0.263 53.729 54.000 -0.014 0.000 0.885 204 D CB 0.813 41.614 40.800 0.001 0.000 1.192 204 D HN 0.226 nan 8.370 nan 0.000 0.436 205 L N 3.922 125.113 121.223 -0.053 0.000 2.255 205 L HA 0.439 4.779 4.340 -0.000 0.000 0.289 205 L C -1.059 175.747 176.870 -0.106 0.000 1.046 205 L CA -0.162 54.636 54.840 -0.071 0.000 0.816 205 L CB 0.385 42.412 42.059 -0.054 0.000 1.197 205 L HN 0.293 nan 8.230 nan 0.000 0.427 206 I N 6.428 126.902 120.570 -0.159 0.000 2.362 206 I HA 0.384 4.554 4.170 -0.000 0.000 0.289 206 I C -0.448 175.564 176.117 -0.174 0.000 0.994 206 I CA -0.228 60.934 61.300 -0.230 0.000 1.158 206 I CB 1.480 39.189 38.000 -0.485 0.000 1.315 206 I HN 0.488 nan 8.210 nan 0.000 0.451 207 I N 6.897 127.379 120.570 -0.147 0.000 2.362 207 I HA 0.315 4.485 4.170 -0.000 0.000 0.289 207 I C -0.617 175.427 176.117 -0.122 0.000 0.994 207 I CA -0.625 60.612 61.300 -0.106 0.000 1.158 207 I CB 1.686 39.634 38.000 -0.086 0.000 1.315 207 I HN 0.199 nan 8.210 nan 0.000 0.451 208 V N 6.786 126.669 119.914 -0.052 0.000 2.293 208 V HA 0.575 4.695 4.120 -0.000 0.000 0.275 208 V C 0.338 176.440 176.094 0.013 0.000 1.021 208 V CA -0.500 61.781 62.300 -0.031 0.000 0.815 208 V CB 1.025 32.895 31.823 0.078 0.000 1.025 208 V HN 0.782 nan 8.190 nan 0.000 0.448 209 A N 4.097 126.934 122.820 0.028 0.000 2.303 209 A HA 1.004 5.324 4.320 -0.000 0.000 0.317 209 A C 0.073 177.763 177.584 0.176 0.000 1.149 209 A CA 0.003 52.129 52.037 0.149 0.000 0.822 209 A CB 1.390 20.570 19.000 0.300 0.000 1.131 209 A HN 1.560 nan 8.150 nan 0.000 0.493 210 A N 2.029 124.907 122.820 0.098 0.000 2.582 210 A HA 0.608 4.928 4.320 -0.000 0.000 0.297 210 A C -0.355 177.231 177.584 0.005 0.000 1.059 210 A CA -0.787 51.285 52.037 0.059 0.000 0.705 210 A CB 0.768 19.783 19.000 0.025 0.000 1.279 210 A HN 0.875 nan 8.150 nan 0.000 0.404 211 R N 1.008 121.511 120.500 0.005 0.000 2.784 211 R HA 0.355 4.695 4.340 -0.000 0.000 0.266 211 R C -2.386 173.880 176.300 -0.057 0.000 1.044 211 R CA -1.065 55.018 56.100 -0.028 0.000 1.151 211 R CB -0.019 30.274 30.300 -0.011 0.000 1.037 211 R HN 0.428 nan 8.270 nan 0.000 0.478 212 P HA 0.017 nan 4.420 nan 0.000 0.268 212 P C -0.324 176.907 177.300 -0.116 0.000 1.205 212 P CA 0.421 63.457 63.100 -0.108 0.000 0.771 212 P CB 0.922 32.555 31.700 -0.112 0.000 0.858 213 S N -0.588 115.046 115.700 -0.110 0.000 2.488 213 S HA -0.149 4.321 4.470 -0.000 0.000 0.258 213 S C 1.096 175.629 174.600 -0.112 0.000 1.281 213 S CA 0.949 59.059 58.200 -0.150 0.000 1.334 213 S CB -1.819 61.222 63.200 -0.266 0.000 1.647 213 S HN 0.321 nan 8.310 nan 0.000 0.635 214 V N 0.358 120.254 119.914 -0.030 0.000 2.535 214 V HA 0.328 4.448 4.120 -0.000 0.000 0.246 214 V C 1.816 177.897 176.094 -0.022 0.000 1.045 214 V CA 1.741 64.084 62.300 0.071 0.000 1.058 214 V CB -0.213 31.656 31.823 0.077 0.000 0.689 214 V HN 1.369 nan 8.190 nan 0.000 0.461 215 G N 0.782 109.575 108.800 -0.011 0.000 2.245 215 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.130 215 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.130 215 G C 0.655 175.678 174.900 0.206 0.000 1.040 215 G CA 0.331 45.469 45.100 0.063 0.000 0.713 215 G HN 0.527 nan 8.290 nan 0.000 0.488 216 K N -1.045 119.423 120.400 0.114 0.000 2.097 216 K HA -0.028 4.292 4.320 -0.000 0.000 0.205 216 K C 2.080 178.825 176.600 0.241 0.000 1.050 216 K CA 1.815 58.184 56.287 0.137 0.000 0.938 216 K CB -0.464 32.078 32.500 0.070 0.000 0.718 216 K HN 0.176 nan 8.250 nan 0.000 0.442 217 T N 1.474 116.151 114.554 0.205 0.000 2.708 217 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 217 T C 2.224 177.091 174.700 0.279 0.000 1.037 217 T CA 1.484 63.714 62.100 0.217 0.000 1.146 217 T CB -0.392 68.581 68.868 0.175 0.000 0.865 217 T HN 0.464 nan 8.240 nan 0.000 0.435 218 A N 1.055 124.091 122.820 0.361 0.000 1.933 218 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 218 A C 2.018 179.964 177.584 0.605 0.000 1.175 218 A CA 1.374 53.707 52.037 0.493 0.000 0.628 218 A CB -0.995 18.383 19.000 0.630 0.000 0.814 218 A HN 0.462 nan 8.150 nan 0.000 0.444 219 F N 1.007 121.183 119.950 0.377 0.000 2.069 219 F HA -0.106 4.421 4.527 0.000 0.000 0.298 219 F C 2.558 178.458 175.800 0.167 0.000 1.113 219 F CA 1.407 59.424 58.000 0.028 0.000 1.214 219 F CB -0.588 38.228 39.000 -0.306 0.000 0.978 219 F HN 0.245 nan 8.300 nan 0.000 0.474 220 A N 0.648 123.583 122.820 0.192 0.000 1.902 220 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 220 A C 2.340 179.966 177.584 0.070 0.000 1.181 220 A CA 1.827 53.919 52.037 0.092 0.000 0.623 220 A CB -1.215 17.886 19.000 0.168 0.000 0.818 220 A HN 0.513 nan 8.150 nan 0.000 0.443 221 L N -0.487 120.816 121.223 0.133 0.000 2.046 221 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 221 L C 2.376 179.303 176.870 0.096 0.000 1.077 221 L CA 1.703 56.612 54.840 0.115 0.000 0.747 221 L CB -0.842 41.303 42.059 0.143 0.000 0.896 221 L HN 0.533 nan 8.230 nan 0.000 0.432 222 N N 0.288 119.082 118.700 0.157 0.000 2.104 222 N HA -0.198 4.542 4.740 -0.000 0.000 0.190 222 N C 1.949 177.442 175.510 -0.027 0.000 1.024 222 N CA 1.182 54.330 53.050 0.163 0.000 0.853 222 N CB -0.089 38.672 38.487 0.456 0.000 1.008 222 N HN 0.284 nan 8.380 nan 0.000 0.424 223 I N 1.302 121.818 120.570 -0.089 0.000 2.142 223 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 223 I C 2.578 178.639 176.117 -0.092 0.000 1.078 223 I CA 0.855 62.050 61.300 -0.174 0.000 1.343 223 I CB -0.396 37.521 38.000 -0.138 0.000 1.046 223 I HN 0.137 nan 8.210 nan 0.000 0.405 224 A N -0.069 122.735 122.820 -0.026 0.000 1.940 224 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 224 A C 2.298 179.869 177.584 -0.021 0.000 1.176 224 A CA 1.958 53.994 52.037 -0.002 0.000 0.631 224 A CB -0.714 18.302 19.000 0.026 0.000 0.814 224 A HN 0.522 nan 8.150 nan 0.000 0.446 225 Q N -0.404 119.380 119.800 -0.026 0.000 2.079 225 Q HA -0.186 4.154 4.340 -0.000 0.000 0.200 225 Q C 1.902 177.862 176.000 -0.068 0.000 0.974 225 Q CA 1.792 57.575 55.803 -0.034 0.000 0.840 225 Q CB -0.180 28.552 28.738 -0.011 0.000 0.898 225 Q HN 0.828 nan 8.270 nan 0.000 0.430 226 N N -0.930 117.699 118.700 -0.118 0.000 2.120 226 N HA -0.154 4.586 4.740 -0.000 0.000 0.188 226 N C 1.724 177.159 175.510 -0.124 0.000 1.024 226 N CA 1.363 54.315 53.050 -0.164 0.000 0.852 226 N CB 0.111 38.411 38.487 -0.311 0.000 1.003 226 N HN 0.015 nan 8.380 nan 0.000 0.424 227 V N 1.084 120.937 119.914 -0.102 0.000 2.261 227 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 227 V C 2.285 178.355 176.094 -0.040 0.000 1.047 227 V CA 2.042 64.304 62.300 -0.063 0.000 1.015 227 V CB -0.895 30.910 31.823 -0.029 0.000 0.642 227 V HN 0.374 nan 8.190 nan 0.000 0.446 228 A N 0.562 123.363 122.820 -0.031 0.000 1.898 228 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 228 A C 2.467 180.032 177.584 -0.032 0.000 1.181 228 A CA 2.433 54.457 52.037 -0.021 0.000 0.620 228 A CB -0.875 18.113 19.000 -0.020 0.000 0.819 228 A HN 0.642 nan 8.150 nan 0.000 0.442 229 T N -2.651 111.876 114.554 -0.044 0.000 2.978 229 T HA 0.040 4.390 4.350 -0.000 0.000 0.262 229 T C 1.820 176.493 174.700 -0.045 0.000 1.063 229 T CA 1.342 63.415 62.100 -0.045 0.000 1.140 229 T CB -0.091 68.747 68.868 -0.049 0.000 0.886 229 T HN 0.465 nan 8.240 nan 0.000 0.470 230 K N 0.373 120.740 120.400 -0.055 0.000 2.099 230 K HA 0.179 4.499 4.320 -0.000 0.000 0.203 230 K C 1.292 177.865 176.600 -0.044 0.000 1.047 230 K CA 0.605 56.859 56.287 -0.055 0.000 0.963 230 K CB 0.000 32.455 32.500 -0.075 0.000 0.759 230 K HN 0.229 nan 8.250 nan 0.000 0.451 231 T N 0.265 114.794 114.554 -0.042 0.000 2.944 231 T HA 0.128 4.478 4.350 -0.000 0.000 0.284 231 T C 0.345 175.036 174.700 -0.016 0.000 1.010 231 T CA -0.641 61.442 62.100 -0.029 0.000 1.025 231 T CB 0.956 69.805 68.868 -0.030 0.000 1.079 231 T HN -0.007 nan 8.240 nan 0.000 0.516 232 N N 1.968 120.663 118.700 -0.009 0.000 2.413 232 N HA 0.063 4.803 4.740 -0.000 0.000 0.207 232 N C -0.241 175.276 175.510 0.012 0.000 1.206 232 N CA 0.129 53.179 53.050 0.001 0.000 0.832 232 N CB 0.073 38.560 38.487 0.000 0.000 1.037 232 N HN 0.515 nan 8.380 nan 0.000 0.467 233 E N -0.203 120.005 120.200 0.013 0.000 2.222 233 E HA 0.312 4.662 4.350 -0.000 0.000 0.272 233 E C -0.754 175.874 176.600 0.047 0.000 0.982 233 E CA -0.630 55.785 56.400 0.025 0.000 0.842 233 E CB 0.689 30.399 29.700 0.018 0.000 1.144 233 E HN 0.041 nan 8.360 nan 0.000 0.397 234 N N 1.019 119.759 118.700 0.067 0.000 2.456 234 N HA 0.320 5.060 4.740 -0.000 0.000 0.288 234 N C -1.283 174.289 175.510 0.104 0.000 1.059 234 N CA -0.356 52.769 53.050 0.125 0.000 0.946 234 N CB 1.590 40.160 38.487 0.138 0.000 1.150 234 N HN 0.101 nan 8.380 nan 0.000 0.479 235 V N 0.768 120.762 119.914 0.134 0.000 2.495 235 V HA 0.672 4.792 4.120 -0.000 0.000 0.298 235 V C 0.005 176.170 176.094 0.118 0.000 1.031 235 V CA -1.106 61.252 62.300 0.096 0.000 0.871 235 V CB 1.427 33.286 31.823 0.060 0.000 0.988 235 V HN 0.734 nan 8.190 nan 0.000 0.432 236 A N 6.355 129.217 122.820 0.070 0.000 2.258 236 A HA 0.839 5.159 4.320 -0.000 0.000 0.316 236 A C -0.578 176.978 177.584 -0.047 0.000 1.279 236 A CA -0.376 51.655 52.037 -0.010 0.000 0.876 236 A CB 0.145 19.132 19.000 -0.022 0.000 1.170 236 A HN 0.789 nan 8.150 nan 0.000 0.520 237 I N 2.277 122.763 120.570 -0.140 0.000 2.378 237 I HA 0.358 4.528 4.170 -0.000 0.000 0.291 237 I C -1.145 174.836 176.117 -0.226 0.000 0.992 237 I CA -0.276 60.982 61.300 -0.069 0.000 1.154 237 I CB 1.406 39.402 38.000 -0.007 0.000 1.315 237 I HN 0.546 nan 8.210 nan 0.000 0.448 238 F N 4.274 124.247 119.950 0.038 0.000 2.361 238 F HA 0.330 4.857 4.527 0.000 0.000 0.364 238 F C 0.642 176.459 175.800 0.028 0.000 1.117 238 F CA -0.399 57.616 58.000 0.026 0.000 1.071 238 F CB 1.637 40.644 39.000 0.012 0.000 1.188 238 F HN 0.313 nan 8.300 nan 0.000 0.464 239 S N 5.104 120.892 115.700 0.147 0.000 2.520 239 S HA 0.474 4.944 4.470 -0.000 0.000 0.324 239 S C 0.666 175.319 174.600 0.088 0.000 1.069 239 S CA -0.639 57.628 58.200 0.112 0.000 1.121 239 S CB 0.301 63.549 63.200 0.080 0.000 0.971 239 S HN 0.689 nan 8.310 nan 0.000 0.463 240 L N 3.492 124.751 121.223 0.059 0.000 2.416 240 L HA 0.350 4.690 4.340 -0.000 0.000 0.216 240 L C 2.111 178.980 176.870 -0.002 0.000 1.098 240 L CA 0.324 55.168 54.840 0.007 0.000 0.840 240 L CB -0.091 41.928 42.059 -0.067 0.000 0.981 240 L HN 0.584 nan 8.230 nan 0.000 0.462 241 E N 0.160 120.381 120.200 0.035 0.000 2.447 241 E HA 0.121 4.471 4.350 -0.000 0.000 0.204 241 E C 0.556 177.206 176.600 0.083 0.000 0.977 241 E CA -0.100 56.346 56.400 0.077 0.000 0.950 241 E CB 0.771 30.585 29.700 0.191 0.000 0.975 241 E HN 0.215 nan 8.360 nan 0.000 0.496 242 M N 1.441 121.089 119.600 0.080 0.000 2.327 242 M HA 0.274 4.754 4.480 -0.000 0.000 0.298 242 M C -0.579 175.753 176.300 0.053 0.000 1.065 242 M CA -0.640 54.703 55.300 0.071 0.000 0.916 242 M CB 1.794 34.446 32.600 0.087 0.000 1.630 242 M HN -0.020 nan 8.290 nan 0.000 0.442 243 S N 3.362 119.087 115.700 0.041 0.000 2.589 243 S HA 0.422 4.892 4.470 -0.000 0.000 0.265 243 S C 1.042 175.657 174.600 0.024 0.000 1.342 243 S CA -0.039 58.179 58.200 0.029 0.000 1.005 243 S CB 1.130 64.344 63.200 0.023 0.000 0.909 243 S HN 0.868 nan 8.310 nan 0.000 0.555 244 A N 0.824 123.652 122.820 0.013 0.000 1.933 244 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 244 A C 2.323 179.907 177.584 -0.000 0.000 1.175 244 A CA 1.475 53.514 52.037 0.002 0.000 0.628 244 A CB -0.898 18.097 19.000 -0.008 0.000 0.814 244 A HN 0.911 nan 8.150 nan 0.000 0.444 245 Q N -1.162 118.639 119.800 0.002 0.000 2.137 245 Q HA -0.145 4.195 4.340 -0.000 0.000 0.198 245 Q C 2.226 178.228 176.000 0.004 0.000 0.960 245 Q CA 1.215 57.017 55.803 -0.002 0.000 0.847 245 Q CB -0.166 28.570 28.738 -0.002 0.000 0.915 245 Q HN 0.830 nan 8.270 nan 0.000 0.448 246 Q N 0.809 120.617 119.800 0.014 0.000 2.226 246 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 246 Q C 1.922 177.940 176.000 0.030 0.000 0.975 246 Q CA 0.773 56.589 55.803 0.022 0.000 0.866 246 Q CB 0.122 28.878 28.738 0.030 0.000 0.915 246 Q HN 0.385 nan 8.270 nan 0.000 0.440 247 L N -0.975 120.266 121.223 0.030 0.000 2.202 247 L HA -0.009 4.331 4.340 -0.000 0.000 0.205 247 L C 1.926 178.811 176.870 0.025 0.000 1.083 247 L CA 0.364 55.227 54.840 0.039 0.000 0.790 247 L CB 0.126 42.210 42.059 0.042 0.000 0.942 247 L HN -0.005 nan 8.230 nan 0.000 0.452 248 V N 0.127 120.045 119.914 0.007 0.000 2.427 248 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 248 V C 2.641 178.730 176.094 -0.009 0.000 1.051 248 V CA 1.557 63.852 62.300 -0.008 0.000 1.048 248 V CB -0.427 31.382 31.823 -0.023 0.000 0.666 248 V HN 0.410 nan 8.190 nan 0.000 0.456 249 M N -0.364 119.232 119.600 -0.006 0.000 2.106 249 M HA -0.192 4.288 4.480 -0.000 0.000 0.259 249 M C 2.359 178.662 176.300 0.005 0.000 1.068 249 M CA 1.916 57.210 55.300 -0.010 0.000 1.100 249 M CB -0.972 31.626 32.600 -0.004 0.000 1.351 249 M HN 0.347 nan 8.290 nan 0.000 0.404 250 R N 0.121 120.637 120.500 0.027 0.000 2.115 250 R HA -0.071 4.269 4.340 -0.000 0.000 0.226 250 R C 2.079 178.409 176.300 0.050 0.000 1.100 250 R CA 1.480 57.610 56.100 0.050 0.000 0.980 250 R CB -0.447 29.899 30.300 0.078 0.000 0.875 250 R HN 0.546 nan 8.270 nan 0.000 0.445 251 M N -0.912 118.709 119.600 0.035 0.000 2.541 251 M HA 0.116 4.596 4.480 -0.000 0.000 0.252 251 M C 1.666 177.965 176.300 -0.002 0.000 1.125 251 M CA 1.170 56.486 55.300 0.026 0.000 1.091 251 M CB -0.051 32.563 32.600 0.023 0.000 1.420 251 M HN -0.035 nan 8.290 nan 0.000 0.486 252 L N 0.365 121.580 121.223 -0.014 0.000 2.044 252 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 252 L C 2.637 179.486 176.870 -0.035 0.000 1.075 252 L CA 1.057 55.875 54.840 -0.037 0.000 0.747 252 L CB -0.553 41.472 42.059 -0.056 0.000 0.903 252 L HN 0.523 nan 8.230 nan 0.000 0.435 253 C N -0.275 119.018 119.300 -0.012 0.000 2.413 253 C HA -0.228 4.232 4.460 -0.000 0.000 0.277 253 C C 3.122 178.121 174.990 0.014 0.000 1.228 253 C CA 0.892 59.920 59.018 0.017 0.000 1.731 253 C CB -1.108 26.663 27.740 0.052 0.000 2.042 253 C HN 0.645 nan 8.230 nan 0.000 0.468 254 A N 0.202 123.037 122.820 0.026 0.000 1.908 254 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 254 A C 1.979 179.539 177.584 -0.040 0.000 1.181 254 A CA 2.346 54.394 52.037 0.018 0.000 0.627 254 A CB -0.610 18.425 19.000 0.059 0.000 0.818 254 A HN 0.633 nan 8.150 nan 0.000 0.445 255 E N -0.157 120.019 120.200 -0.041 0.000 2.007 255 E HA -0.051 4.299 4.350 -0.000 0.000 0.194 255 E C 1.854 178.397 176.600 -0.095 0.000 0.999 255 E CA 1.795 58.159 56.400 -0.059 0.000 0.811 255 E CB -0.784 28.886 29.700 -0.049 0.000 0.762 255 E HN 0.353 nan 8.360 nan 0.000 0.450 256 G N -1.009 107.729 108.800 -0.102 0.000 3.042 256 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.212 256 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.212 256 G C -0.272 174.516 174.900 -0.187 0.000 1.166 256 G CA 0.281 45.309 45.100 -0.120 0.000 0.767 256 G HN 0.293 nan 8.290 nan 0.000 0.546 257 N N -0.357 118.167 118.700 -0.293 0.000 2.753 257 N HA -0.133 4.607 4.740 -0.000 0.000 0.252 257 N C -0.453 174.891 175.510 -0.275 0.000 1.071 257 N CA 0.683 53.345 53.050 -0.647 0.000 0.690 257 N CB -1.433 36.607 38.487 -0.746 0.000 0.906 257 N HN 0.417 nan 8.380 nan 0.000 0.552 258 I N 0.426 121.001 120.570 0.009 0.000 2.354 258 I HA 0.160 4.330 4.170 -0.000 0.000 0.292 258 I C 0.846 177.111 176.117 0.246 0.000 0.989 258 I CA -0.850 60.521 61.300 0.118 0.000 1.188 258 I CB 1.363 39.362 38.000 -0.003 0.000 1.342 258 I HN 0.026 nan 8.210 nan 0.000 0.457 259 N N 4.644 123.459 118.700 0.192 0.000 2.411 259 N HA 0.031 4.771 4.740 -0.000 0.000 0.265 259 N C 0.909 176.423 175.510 0.007 0.000 1.266 259 N CA 0.511 53.580 53.050 0.032 0.000 0.889 259 N CB 1.247 39.720 38.487 -0.023 0.000 1.069 259 N HN 0.759 nan 8.380 nan 0.000 0.476 260 A N 3.842 126.653 122.820 -0.015 0.000 1.865 260 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 260 A C 1.912 179.487 177.584 -0.015 0.000 1.191 260 A CA 1.621 53.654 52.037 -0.008 0.000 0.623 260 A CB -0.818 18.181 19.000 -0.003 0.000 0.826 260 A HN 0.872 nan 8.150 nan 0.000 0.444 261 Q N -0.298 119.487 119.800 -0.025 0.000 2.170 261 Q HA -0.214 4.126 4.340 -0.000 0.000 0.203 261 Q C 2.099 178.091 176.000 -0.013 0.000 0.976 261 Q CA 1.552 57.344 55.803 -0.018 0.000 0.858 261 Q CB -0.263 28.460 28.738 -0.025 0.000 0.907 261 Q HN 0.820 nan 8.270 nan 0.000 0.433 262 N N 0.007 118.698 118.700 -0.015 0.000 2.084 262 N HA -0.176 4.564 4.740 -0.000 0.000 0.190 262 N C 1.905 177.409 175.510 -0.011 0.000 1.030 262 N CA 0.968 54.014 53.050 -0.006 0.000 0.849 262 N CB -0.085 38.401 38.487 -0.001 0.000 1.012 262 N HN 0.298 nan 8.380 nan 0.000 0.423 263 L N 0.895 122.102 121.223 -0.026 0.000 2.056 263 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 263 L C 2.520 179.375 176.870 -0.026 0.000 1.078 263 L CA 0.903 55.715 54.840 -0.046 0.000 0.749 263 L CB -0.270 41.751 42.059 -0.063 0.000 0.901 263 L HN 0.169 nan 8.230 nan 0.000 0.433 264 R N -0.853 119.639 120.500 -0.014 0.000 2.249 264 R HA -0.103 4.237 4.340 -0.000 0.000 0.230 264 R C 1.051 177.353 176.300 0.002 0.000 1.121 264 R CA 1.497 57.594 56.100 -0.004 0.000 0.997 264 R CB -0.286 30.014 30.300 -0.001 0.000 0.867 264 R HN 0.338 nan 8.270 nan 0.000 0.465 265 T N -1.808 112.749 114.554 0.005 0.000 3.132 265 T HA 0.285 4.635 4.350 -0.000 0.000 0.274 265 T C 1.085 175.800 174.700 0.025 0.000 1.011 265 T CA 0.235 62.343 62.100 0.013 0.000 0.899 265 T CB 1.365 70.240 68.868 0.011 0.000 1.089 265 T HN 0.447 nan 8.240 nan 0.000 0.543 266 G N 2.867 111.683 108.800 0.026 0.000 2.550 266 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.233 266 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.233 266 G C 0.214 175.163 174.900 0.081 0.000 1.170 266 G CA 0.010 45.142 45.100 0.055 0.000 0.693 266 G HN 0.562 nan 8.290 nan 0.000 0.512 267 K N 0.834 121.273 120.400 0.064 0.000 2.511 267 K HA 0.337 4.657 4.320 -0.000 0.000 0.277 267 K C -0.183 176.470 176.600 0.088 0.000 1.025 267 K CA 0.564 56.895 56.287 0.073 0.000 1.112 267 K CB 0.336 32.863 32.500 0.045 0.000 0.859 267 K HN 0.271 nan 8.250 nan 0.000 0.485 268 L N 3.512 124.824 121.223 0.147 0.000 2.680 268 L HA 0.085 4.425 4.340 -0.000 0.000 0.260 268 L C -0.125 176.881 176.870 0.226 0.000 0.975 268 L CA -0.477 54.477 54.840 0.190 0.000 0.920 268 L CB 1.900 44.130 42.059 0.285 0.000 1.234 268 L HN 0.852 nan 8.230 nan 0.000 0.429 269 T N 0.557 115.198 114.554 0.145 0.000 2.946 269 T HA 0.133 4.483 4.350 -0.000 0.000 0.311 269 T C -1.375 173.422 174.700 0.160 0.000 1.063 269 T CA -0.980 61.192 62.100 0.120 0.000 1.139 269 T CB 0.556 69.472 68.868 0.080 0.000 0.994 269 T HN 0.387 nan 8.240 nan 0.000 0.547 270 P HA -0.185 nan 4.420 nan 0.000 0.219 270 P C 1.033 178.420 177.300 0.146 0.000 1.153 270 P CA 1.395 64.558 63.100 0.105 0.000 0.865 270 P CB 0.182 31.907 31.700 0.041 0.000 0.788 271 E N -1.809 118.461 120.200 0.116 0.000 2.415 271 E HA -0.035 4.315 4.350 -0.000 0.000 0.197 271 E C 1.523 178.186 176.600 0.105 0.000 1.007 271 E CA 0.057 56.517 56.400 0.100 0.000 0.890 271 E CB -0.442 29.294 29.700 0.059 0.000 0.891 271 E HN -0.004 nan 8.360 nan 0.000 0.496 272 D N -0.587 119.883 120.400 0.115 0.000 2.264 272 D HA -0.146 4.494 4.640 -0.000 0.000 0.208 272 D C 1.008 177.354 176.300 0.076 0.000 0.966 272 D CA 0.623 54.670 54.000 0.077 0.000 0.864 272 D CB 0.036 40.880 40.800 0.073 0.000 0.933 272 D HN 0.299 nan 8.370 nan 0.000 0.499 273 W N 0.920 122.221 121.300 0.003 0.000 2.443 273 W HA 0.051 4.711 4.660 0.000 0.000 0.296 273 W C 2.020 178.537 176.519 -0.004 0.000 1.202 273 W CA 1.431 58.776 57.345 0.001 0.000 1.312 273 W CB -0.495 28.965 29.460 0.001 0.000 1.120 273 W HN 0.021 nan 8.180 nan 0.000 0.536 274 G N 0.433 109.388 108.800 0.257 0.000 2.443 274 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.219 274 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.219 274 G C 1.598 176.540 174.900 0.070 0.000 1.131 274 G CA 0.739 45.929 45.100 0.150 0.000 0.775 274 G HN 0.206 nan 8.290 nan 0.000 0.547 275 K N -0.691 119.733 120.400 0.041 0.000 2.148 275 K HA 0.066 4.386 4.320 -0.000 0.000 0.204 275 K C 2.277 178.849 176.600 -0.046 0.000 1.050 275 K CA 0.545 56.825 56.287 -0.012 0.000 0.942 275 K CB -0.142 32.346 32.500 -0.021 0.000 0.724 275 K HN 0.276 nan 8.250 nan 0.000 0.446 276 L N 0.869 122.044 121.223 -0.079 0.000 2.109 276 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 276 L C 2.169 178.991 176.870 -0.080 0.000 1.086 276 L CA 2.036 56.791 54.840 -0.143 0.000 0.760 276 L CB -0.726 41.128 42.059 -0.342 0.000 0.910 276 L HN 0.274 nan 8.230 nan 0.000 0.437 277 T N -3.409 111.138 114.554 -0.012 0.000 2.951 277 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 277 T C 1.754 176.456 174.700 0.003 0.000 1.073 277 T CA 1.466 63.580 62.100 0.023 0.000 1.134 277 T CB -0.450 68.469 68.868 0.084 0.000 0.884 277 T HN 0.395 nan 8.240 nan 0.000 0.479 278 M N 1.173 120.769 119.600 -0.006 0.000 2.236 278 M HA 0.282 4.762 4.480 -0.000 0.000 0.266 278 M C 2.947 179.229 176.300 -0.030 0.000 1.070 278 M CA 1.272 56.563 55.300 -0.015 0.000 1.137 278 M CB -0.610 31.980 32.600 -0.017 0.000 1.378 278 M HN 0.384 nan 8.290 nan 0.000 0.426 279 A N 1.097 123.892 122.820 -0.042 0.000 1.877 279 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 279 A C 2.239 179.795 177.584 -0.046 0.000 1.186 279 A CA 1.601 53.607 52.037 -0.051 0.000 0.620 279 A CB -0.628 18.333 19.000 -0.065 0.000 0.822 279 A HN 0.442 nan 8.150 nan 0.000 0.443 280 M N -0.648 118.925 119.600 -0.044 0.000 2.086 280 M HA -0.109 4.371 4.480 -0.000 0.000 0.261 280 M C 2.353 178.634 176.300 -0.031 0.000 1.067 280 M CA 1.456 56.733 55.300 -0.039 0.000 1.116 280 M CB -0.696 31.885 32.600 -0.032 0.000 1.348 280 M HN 0.534 nan 8.290 nan 0.000 0.407 281 G N 0.285 109.071 108.800 -0.023 0.000 2.459 281 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 281 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 281 G C 1.620 176.505 174.900 -0.026 0.000 1.183 281 G CA 1.471 46.560 45.100 -0.019 0.000 0.776 281 G HN 0.570 nan 8.290 nan 0.000 0.552 282 S N 0.005 115.687 115.700 -0.030 0.000 2.402 282 S HA 0.062 4.532 4.470 -0.000 0.000 0.229 282 S C 2.189 176.766 174.600 -0.039 0.000 1.021 282 S CA 1.076 59.256 58.200 -0.033 0.000 0.974 282 S CB -0.196 62.983 63.200 -0.035 0.000 0.800 282 S HN 0.116 nan 8.310 nan 0.000 0.484 283 L N 1.682 122.879 121.223 -0.043 0.000 2.341 283 L HA 0.279 4.619 4.340 -0.000 0.000 0.214 283 L C 2.372 179.206 176.870 -0.059 0.000 1.115 283 L CA 0.895 55.705 54.840 -0.050 0.000 0.820 283 L CB -0.648 41.381 42.059 -0.050 0.000 0.944 283 L HN 0.256 nan 8.230 nan 0.000 0.452 284 S N -0.147 115.522 115.700 -0.052 0.000 2.428 284 S HA -0.072 4.398 4.470 -0.000 0.000 0.230 284 S C 1.548 176.112 174.600 -0.059 0.000 1.014 284 S CA 0.929 59.095 58.200 -0.057 0.000 0.957 284 S CB -0.279 62.896 63.200 -0.042 0.000 0.784 284 S HN 0.532 nan 8.310 nan 0.000 0.499 285 N N 1.844 120.515 118.700 -0.048 0.000 2.457 285 N HA 0.151 4.891 4.740 -0.000 0.000 0.180 285 N C 0.498 175.980 175.510 -0.047 0.000 1.050 285 N CA 0.311 53.337 53.050 -0.041 0.000 0.906 285 N CB -0.368 38.101 38.487 -0.030 0.000 0.968 285 N HN 0.341 nan 8.380 nan 0.000 0.445 286 A N 0.400 123.185 122.820 -0.059 0.000 2.445 286 A HA 0.511 4.831 4.320 -0.000 0.000 0.242 286 A C 0.980 178.508 177.584 -0.093 0.000 1.075 286 A CA -0.025 51.975 52.037 -0.061 0.000 0.777 286 A CB 0.086 19.049 19.000 -0.062 0.000 1.013 286 A HN 0.198 nan 8.150 nan 0.000 0.493 287 G N 1.644 110.411 108.800 -0.054 0.000 3.161 287 G HA2 0.486 4.446 3.960 -0.000 0.000 0.293 287 G HA3 0.486 4.446 3.960 -0.000 0.000 0.293 287 G C -0.315 174.536 174.900 -0.082 0.000 0.893 287 G CA -0.224 44.847 45.100 -0.048 0.000 1.756 287 G HN 0.597 nan 8.290 nan 0.000 0.549 288 I N 1.449 121.846 120.570 -0.289 0.000 2.355 288 I HA 0.313 4.483 4.170 -0.000 0.000 0.288 288 I C -0.965 174.900 176.117 -0.421 0.000 0.999 288 I CA -0.920 60.253 61.300 -0.212 0.000 1.163 288 I CB 1.490 39.413 38.000 -0.128 0.000 1.316 288 I HN 0.244 nan 8.210 nan 0.000 0.454 289 Y N 6.786 127.041 120.300 -0.076 0.000 2.328 289 Y HA 0.583 5.133 4.550 -0.000 0.000 0.333 289 Y C -0.092 175.711 175.900 -0.162 0.000 0.958 289 Y CA -0.651 57.386 58.100 -0.106 0.000 1.167 289 Y CB 1.332 39.728 38.460 -0.108 0.000 1.151 289 Y HN 0.341 nan 8.280 nan 0.000 0.470 290 I N 3.231 123.772 120.570 -0.047 0.000 2.433 290 I HA 0.294 4.464 4.170 -0.000 0.000 0.292 290 I C -0.889 175.153 176.117 -0.126 0.000 1.001 290 I CA -0.705 60.530 61.300 -0.107 0.000 1.119 290 I CB 1.742 39.703 38.000 -0.066 0.000 1.289 290 I HN 0.480 nan 8.210 nan 0.000 0.438 291 D N 5.490 125.761 120.400 -0.216 0.000 2.453 291 D HA 0.166 4.806 4.640 -0.000 0.000 0.238 291 D C -0.412 175.874 176.300 -0.022 0.000 1.088 291 D CA -0.474 53.446 54.000 -0.134 0.000 0.854 291 D CB 1.101 41.763 40.800 -0.231 0.000 1.076 291 D HN 0.522 nan 8.370 nan 0.000 0.533 292 D N 1.970 122.375 120.400 0.009 0.000 2.722 292 D HA 0.032 4.672 4.640 -0.000 0.000 0.239 292 D C -0.346 175.981 176.300 0.046 0.000 1.249 292 D CA -0.375 53.645 54.000 0.034 0.000 0.830 292 D CB -0.436 40.377 40.800 0.023 0.000 1.025 292 D HN 0.055 nan 8.370 nan 0.000 0.486 293 T N 3.286 117.879 114.554 0.066 0.000 2.784 293 T HA 0.081 4.431 4.350 -0.000 0.000 0.291 293 T C -1.193 173.536 174.700 0.048 0.000 0.942 293 T CA -0.895 61.241 62.100 0.059 0.000 1.161 293 T CB 1.492 70.406 68.868 0.078 0.000 0.885 293 T HN 0.090 nan 8.240 nan 0.000 0.534 294 P HA -0.141 nan 4.420 nan 0.000 0.217 294 P C 0.409 177.703 177.300 -0.011 0.000 1.158 294 P CA 1.274 64.379 63.100 0.010 0.000 0.887 294 P CB 0.111 31.816 31.700 0.008 0.000 0.792 295 S N -1.903 113.792 115.700 -0.009 0.000 2.488 295 S HA 0.420 4.890 4.470 -0.000 0.000 0.151 295 S C 0.090 174.676 174.600 -0.024 0.000 1.401 295 S CA -0.925 57.257 58.200 -0.030 0.000 1.221 295 S CB -0.939 62.239 63.200 -0.038 0.000 1.407 295 S HN -0.016 nan 8.310 nan 0.000 0.406 296 I N 1.680 122.239 120.570 -0.018 0.000 2.882 296 I HA 0.329 4.499 4.170 -0.000 0.000 0.286 296 I C 0.961 177.046 176.117 -0.054 0.000 1.139 296 I CA -0.779 60.509 61.300 -0.020 0.000 1.379 296 I CB 0.336 38.334 38.000 -0.003 0.000 1.410 296 I HN 0.361 nan 8.210 nan 0.000 0.594 297 R N 2.351 122.821 120.500 -0.050 0.000 2.553 297 R HA 0.362 4.702 4.340 -0.000 0.000 0.263 297 R C 0.863 177.107 176.300 -0.093 0.000 1.066 297 R CA -0.875 55.188 56.100 -0.062 0.000 1.135 297 R CB 0.785 31.060 30.300 -0.042 0.000 1.148 297 R HN 0.429 nan 8.270 nan 0.000 0.558 298 V N 0.516 120.372 119.914 -0.096 0.000 2.626 298 V HA -0.234 3.886 4.120 -0.000 0.000 0.252 298 V C 2.374 178.406 176.094 -0.102 0.000 1.067 298 V CA 2.160 64.385 62.300 -0.124 0.000 1.081 298 V CB -0.735 31.026 31.823 -0.103 0.000 0.686 298 V HN 0.949 nan 8.190 nan 0.000 0.468 299 S N 0.411 116.071 115.700 -0.066 0.000 2.368 299 S HA -0.236 4.234 4.470 -0.000 0.000 0.225 299 S C 1.636 176.215 174.600 -0.035 0.000 1.030 299 S CA 1.533 59.706 58.200 -0.044 0.000 0.999 299 S CB -0.513 62.669 63.200 -0.030 0.000 0.844 299 S HN 0.569 nan 8.310 nan 0.000 0.459 300 D N 2.011 122.391 120.400 -0.032 0.000 2.084 300 D HA 0.004 4.644 4.640 -0.000 0.000 0.194 300 D C 2.019 178.327 176.300 0.012 0.000 0.990 300 D CA 1.216 55.217 54.000 0.000 0.000 0.826 300 D CB -0.515 40.292 40.800 0.012 0.000 0.971 300 D HN 0.426 nan 8.370 nan 0.000 0.453 301 I N 0.832 121.348 120.570 -0.090 0.000 2.091 301 I HA -0.317 3.853 4.170 -0.000 0.000 0.239 301 I C 2.676 178.761 176.117 -0.054 0.000 1.061 301 I CA 1.305 62.462 61.300 -0.240 0.000 1.317 301 I CB -0.191 37.414 38.000 -0.659 0.000 1.031 301 I HN -0.059 nan 8.210 nan 0.000 0.401 302 R N 0.407 120.862 120.500 -0.076 0.000 2.083 302 R HA -0.198 4.142 4.340 -0.000 0.000 0.237 302 R C 2.421 178.727 176.300 0.010 0.000 1.137 302 R CA 1.712 57.794 56.100 -0.030 0.000 0.951 302 R CB -0.496 29.778 30.300 -0.043 0.000 0.851 302 R HN 0.430 nan 8.270 nan 0.000 0.434 303 A N 1.275 124.103 122.820 0.013 0.000 1.902 303 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 303 A C 1.915 179.521 177.584 0.037 0.000 1.181 303 A CA 1.434 53.483 52.037 0.020 0.000 0.623 303 A CB -0.250 18.759 19.000 0.015 0.000 0.818 303 A HN 0.230 nan 8.150 nan 0.000 0.443 304 K N -0.820 119.627 120.400 0.077 0.000 2.057 304 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 304 K C 2.074 178.715 176.600 0.068 0.000 1.050 304 K CA 1.411 57.751 56.287 0.088 0.000 0.935 304 K CB -0.443 32.154 32.500 0.162 0.000 0.715 304 K HN 0.560 nan 8.250 nan 0.000 0.439 305 C N 0.610 119.983 119.300 0.121 0.000 2.425 305 C HA -0.041 4.419 4.460 -0.000 0.000 0.277 305 C C 2.643 177.642 174.990 0.014 0.000 1.280 305 C CA 0.373 59.439 59.018 0.080 0.000 1.744 305 C CB -0.769 27.046 27.740 0.126 0.000 1.989 305 C HN 0.447 nan 8.230 nan 0.000 0.491 306 R N 0.659 121.168 120.500 0.015 0.000 2.080 306 R HA -0.127 4.213 4.340 -0.000 0.000 0.236 306 R C 2.521 178.811 176.300 -0.017 0.000 1.137 306 R CA 1.559 57.657 56.100 -0.002 0.000 0.943 306 R CB -0.218 30.082 30.300 0.001 0.000 0.846 306 R HN 0.534 nan 8.270 nan 0.000 0.431 307 R N 0.046 120.536 120.500 -0.017 0.000 2.096 307 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 307 R C 2.312 178.576 176.300 -0.060 0.000 1.127 307 R CA 1.173 57.255 56.100 -0.030 0.000 0.968 307 R CB -0.401 29.886 30.300 -0.023 0.000 0.861 307 R HN 0.175 nan 8.270 nan 0.000 0.440 308 L N 1.581 122.751 121.223 -0.087 0.000 2.027 308 L HA -0.153 4.187 4.340 -0.000 0.000 0.206 308 L C 2.193 178.979 176.870 -0.139 0.000 1.074 308 L CA 1.845 56.584 54.840 -0.167 0.000 0.745 308 L CB -0.378 41.536 42.059 -0.242 0.000 0.898 308 L HN -0.032 nan 8.230 nan 0.000 0.433 309 K N -0.860 119.488 120.400 -0.086 0.000 2.147 309 K HA -0.199 4.121 4.320 -0.000 0.000 0.205 309 K C 1.813 178.385 176.600 -0.047 0.000 1.049 309 K CA 1.758 58.008 56.287 -0.060 0.000 0.936 309 K CB 0.017 32.497 32.500 -0.033 0.000 0.722 309 K HN 0.523 nan 8.250 nan 0.000 0.446 310 Q N -0.823 118.951 119.800 -0.043 0.000 2.360 310 Q HA -0.009 4.331 4.340 -0.000 0.000 0.202 310 Q C 1.099 177.079 176.000 -0.033 0.000 0.915 310 Q CA 0.276 56.060 55.803 -0.031 0.000 0.943 310 Q CB 0.804 29.528 28.738 -0.022 0.000 1.064 310 Q HN 0.318 nan 8.270 nan 0.000 0.511 311 E N -0.901 119.269 120.200 -0.051 0.000 2.290 311 E HA 0.092 4.442 4.350 -0.000 0.000 0.199 311 E C 0.848 177.419 176.600 -0.048 0.000 0.912 311 E CA 0.574 56.946 56.400 -0.048 0.000 0.924 311 E CB 0.586 30.250 29.700 -0.060 0.000 0.901 311 E HN 0.069 nan 8.360 nan 0.000 0.487 312 S N -0.994 114.662 115.700 -0.073 0.000 2.617 312 S HA 0.374 4.844 4.470 -0.000 0.000 0.278 312 S C 0.015 174.589 174.600 -0.044 0.000 1.082 312 S CA 0.043 58.211 58.200 -0.054 0.000 1.228 312 S CB 1.925 65.078 63.200 -0.078 0.000 1.130 312 S HN 0.453 nan 8.310 nan 0.000 0.621 313 G N 1.398 110.161 108.800 -0.061 0.000 2.712 313 G HA2 0.021 3.981 3.960 -0.000 0.000 0.686 313 G HA3 0.021 3.981 3.960 -0.000 0.000 0.686 313 G C -1.356 173.513 174.900 -0.052 0.000 1.181 313 G CA -0.699 44.378 45.100 -0.039 0.000 0.762 313 G HN 0.394 nan 8.290 nan 0.000 0.641 314 L N 1.483 122.687 121.223 -0.032 0.000 2.422 314 L HA 0.781 5.121 4.340 -0.000 0.000 0.264 314 L C 1.120 177.994 176.870 0.006 0.000 0.984 314 L CA -0.015 54.812 54.840 -0.022 0.000 0.819 314 L CB 1.973 44.013 42.059 -0.031 0.000 1.330 314 L HN 1.151 nan 8.230 nan 0.000 0.410 315 G N 3.795 112.608 108.800 0.022 0.000 2.739 315 G HA2 0.303 4.263 3.960 -0.000 0.000 0.200 315 G HA3 0.303 4.263 3.960 -0.000 0.000 0.200 315 G C 0.080 175.006 174.900 0.043 0.000 1.069 315 G CA -0.010 45.108 45.100 0.030 0.000 0.768 315 G HN 0.372 nan 8.290 nan 0.000 0.565 316 M N 0.430 120.060 119.600 0.051 0.000 2.520 316 M HA 0.507 4.987 4.480 -0.000 0.000 0.283 316 M C -1.914 174.431 176.300 0.074 0.000 1.237 316 M CA -0.493 54.843 55.300 0.061 0.000 0.885 316 M CB 3.231 35.873 32.600 0.070 0.000 1.727 316 M HN -0.139 nan 8.290 nan 0.000 0.468 317 I N 2.106 122.726 120.570 0.082 0.000 2.466 317 I HA 0.533 4.703 4.170 -0.000 0.000 0.289 317 I C -1.021 175.170 176.117 0.124 0.000 1.026 317 I CA -0.917 60.465 61.300 0.137 0.000 1.078 317 I CB 2.123 40.215 38.000 0.153 0.000 1.249 317 I HN 0.258 nan 8.210 nan 0.000 0.429 318 V N 7.321 127.336 119.914 0.168 0.000 2.487 318 V HA 0.494 4.614 4.120 -0.000 0.000 0.298 318 V C -0.217 176.013 176.094 0.227 0.000 1.028 318 V CA -0.454 61.933 62.300 0.145 0.000 0.860 318 V CB 2.089 33.979 31.823 0.111 0.000 0.991 318 V HN 0.473 nan 8.190 nan 0.000 0.427 319 I N 3.244 123.913 120.570 0.166 0.000 2.382 319 I HA 0.321 4.491 4.170 -0.000 0.000 0.285 319 I C -0.414 175.789 176.117 0.143 0.000 1.007 319 I CA -0.459 60.941 61.300 0.165 0.000 1.142 319 I CB 1.664 39.686 38.000 0.036 0.000 1.289 319 I HN 0.513 nan 8.210 nan 0.000 0.453 320 D N 8.191 128.690 120.400 0.165 0.000 2.367 320 D HA 0.063 4.703 4.640 -0.000 0.000 0.255 320 D C -0.355 176.055 176.300 0.184 0.000 1.300 320 D CA 0.449 54.564 54.000 0.191 0.000 0.959 320 D CB -0.100 40.815 40.800 0.191 0.000 1.064 320 D HN 0.353 nan 8.370 nan 0.000 0.509 321 Y N 1.089 121.426 120.300 0.063 0.000 2.542 321 Y HA -0.320 4.230 4.550 -0.000 0.000 0.040 321 Y C 0.398 176.313 175.900 0.026 0.000 1.731 321 Y CA 0.251 58.377 58.100 0.044 0.000 1.392 321 Y CB -0.938 37.549 38.460 0.045 0.000 2.039 321 Y HN 0.409 nan 8.280 nan 0.000 0.260 322 L N 2.956 124.241 121.223 0.104 0.000 2.217 322 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 322 L C 1.876 178.730 176.870 -0.026 0.000 1.107 322 L CA 1.364 56.209 54.840 0.008 0.000 0.783 322 L CB -0.256 41.822 42.059 0.032 0.000 0.919 322 L HN 0.862 nan 8.230 nan 0.000 0.442 323 Q N 0.216 120.041 119.800 0.041 0.000 2.515 323 Q HA -0.040 4.300 4.340 -0.000 0.000 0.212 323 Q C 1.860 177.804 176.000 -0.094 0.000 0.970 323 Q CA 0.848 56.672 55.803 0.035 0.000 0.941 323 Q CB -0.066 28.784 28.738 0.185 0.000 0.998 323 Q HN 0.600 nan 8.270 nan 0.000 0.518 324 L N 0.119 121.174 121.223 -0.280 0.000 2.513 324 L HA 0.217 4.557 4.340 -0.000 0.000 0.222 324 L C 0.745 177.514 176.870 -0.168 0.000 1.096 324 L CA -0.184 54.482 54.840 -0.291 0.000 0.857 324 L CB 0.231 41.982 42.059 -0.513 0.000 1.026 324 L HN 0.085 nan 8.230 nan 0.000 0.469 325 I N 1.644 122.129 120.570 -0.142 0.000 2.598 325 I HA -0.078 4.092 4.170 -0.000 0.000 0.284 325 I C 0.678 176.750 176.117 -0.076 0.000 1.140 325 I CA 0.152 61.389 61.300 -0.105 0.000 1.420 325 I CB 0.496 38.433 38.000 -0.106 0.000 1.387 325 I HN 0.275 nan 8.210 nan 0.000 0.553 326 Q N 5.735 125.497 119.800 -0.063 0.000 2.259 326 Q HA 0.551 4.891 4.340 -0.000 0.000 0.246 326 Q C 0.273 176.248 176.000 -0.042 0.000 0.920 326 Q CA -0.810 54.966 55.803 -0.045 0.000 0.895 326 Q CB 1.327 30.044 28.738 -0.035 0.000 1.220 326 Q HN 0.709 nan 8.270 nan 0.000 0.439 327 G N 0.792 109.572 108.800 -0.033 0.000 2.611 327 G HA2 0.100 4.060 3.960 -0.000 0.000 0.273 327 G HA3 0.100 4.060 3.960 -0.000 0.000 0.273 327 G C 0.737 175.620 174.900 -0.028 0.000 1.305 327 G CA -0.220 44.861 45.100 -0.030 0.000 1.010 327 G HN 0.866 nan 8.290 nan 0.000 0.509 328 S N -1.034 114.651 115.700 -0.026 0.000 2.447 328 S HA 0.075 4.545 4.470 -0.000 0.000 0.233 328 S C 1.433 176.023 174.600 -0.018 0.000 1.006 328 S CA 0.760 58.947 58.200 -0.023 0.000 0.957 328 S CB -0.357 62.830 63.200 -0.022 0.000 0.773 328 S HN 0.908 nan 8.310 nan 0.000 0.507 329 G N 1.132 109.923 108.800 -0.016 0.000 2.543 329 G HA2 0.585 4.545 3.960 -0.000 0.000 0.267 329 G HA3 0.585 4.545 3.960 -0.000 0.000 0.267 329 G C -0.062 174.830 174.900 -0.012 0.000 1.406 329 G CA -0.897 44.195 45.100 -0.013 0.000 1.048 329 G HN 0.145 nan 8.290 nan 0.000 0.548 336 Q N 0.281 120.082 119.800 0.002 0.000 2.020 336 Q HA -0.021 4.319 4.340 -0.000 0.000 0.198 336 Q C 1.511 177.510 176.000 -0.001 0.000 0.974 336 Q CA 1.878 57.682 55.803 0.003 0.000 0.829 336 Q CB 0.011 28.750 28.738 0.002 0.000 0.894 336 Q HN 0.397 nan 8.270 nan 0.000 0.433 337 Q N 0.691 120.489 119.800 -0.004 0.000 2.123 337 Q HA -0.154 4.186 4.340 -0.000 0.000 0.199 337 Q C 1.885 177.880 176.000 -0.010 0.000 0.966 337 Q CA 1.012 56.811 55.803 -0.007 0.000 0.845 337 Q CB 0.029 28.762 28.738 -0.008 0.000 0.907 337 Q HN 0.357 nan 8.270 nan 0.000 0.439 338 E N 0.462 120.656 120.200 -0.010 0.000 2.085 338 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 338 E C 1.953 178.544 176.600 -0.015 0.000 0.994 338 E CA 1.172 57.564 56.400 -0.013 0.000 0.801 338 E CB 0.014 29.707 29.700 -0.012 0.000 0.743 338 E HN 0.201 nan 8.360 nan 0.000 0.453 339 V N -0.008 119.901 119.914 -0.010 0.000 2.515 339 V HA -0.197 3.923 4.120 -0.000 0.000 0.250 339 V C 2.026 178.114 176.094 -0.011 0.000 1.058 339 V CA 2.135 64.430 62.300 -0.008 0.000 1.064 339 V CB -0.215 31.610 31.823 0.003 0.000 0.675 339 V HN 0.293 nan 8.190 nan 0.000 0.461 340 S N 0.003 115.698 115.700 -0.010 0.000 2.359 340 S HA -0.235 4.235 4.470 -0.000 0.000 0.224 340 S C 1.743 176.331 174.600 -0.019 0.000 1.035 340 S CA 2.010 60.203 58.200 -0.012 0.000 1.018 340 S CB -0.339 62.854 63.200 -0.011 0.000 0.876 340 S HN 0.769 nan 8.310 nan 0.000 0.448 341 E N 0.670 120.857 120.200 -0.022 0.000 2.110 341 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 341 E C 2.003 178.583 176.600 -0.033 0.000 0.988 341 E CA 0.999 57.383 56.400 -0.027 0.000 0.804 341 E CB -0.291 29.393 29.700 -0.026 0.000 0.745 341 E HN 0.484 nan 8.360 nan 0.000 0.458 342 I N 0.713 121.262 120.570 -0.034 0.000 2.179 342 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 342 I C 2.711 178.802 176.117 -0.044 0.000 1.088 342 I CA 0.833 62.106 61.300 -0.045 0.000 1.357 342 I CB -0.331 37.641 38.000 -0.046 0.000 1.051 342 I HN 0.083 nan 8.210 nan 0.000 0.409 343 S N 0.865 116.545 115.700 -0.033 0.000 2.359 343 S HA -0.287 4.183 4.470 -0.000 0.000 0.222 343 S C 2.286 176.866 174.600 -0.033 0.000 1.038 343 S CA 1.762 59.944 58.200 -0.030 0.000 1.051 343 S CB -0.315 62.873 63.200 -0.019 0.000 0.944 343 S HN 0.293 nan 8.310 nan 0.000 0.433 344 R N 0.077 120.558 120.500 -0.030 0.000 2.105 344 R HA -0.069 4.271 4.340 -0.000 0.000 0.239 344 R C 2.692 178.971 176.300 -0.035 0.000 1.135 344 R CA 1.635 57.717 56.100 -0.031 0.000 0.967 344 R CB -0.635 29.647 30.300 -0.029 0.000 0.861 344 R HN 0.498 nan 8.270 nan 0.000 0.442 345 S N 0.109 115.785 115.700 -0.040 0.000 2.371 345 S HA -0.020 4.450 4.470 -0.000 0.000 0.224 345 S C 1.883 176.452 174.600 -0.052 0.000 1.029 345 S CA 0.750 58.923 58.200 -0.045 0.000 0.978 345 S CB -0.069 63.101 63.200 -0.051 0.000 0.833 345 S HN 0.302 nan 8.310 nan 0.000 0.466 346 L N 0.985 122.173 121.223 -0.058 0.000 2.083 346 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 346 L C 2.611 179.453 176.870 -0.048 0.000 1.083 346 L CA 1.458 56.261 54.840 -0.063 0.000 0.752 346 L CB -0.466 41.554 42.059 -0.066 0.000 0.899 346 L HN 0.275 nan 8.230 nan 0.000 0.433 347 K N 0.843 121.218 120.400 -0.040 0.000 2.057 347 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 347 K C 1.996 178.579 176.600 -0.028 0.000 1.050 347 K CA 1.608 57.876 56.287 -0.033 0.000 0.935 347 K CB -0.337 32.145 32.500 -0.029 0.000 0.715 347 K HN 0.193 nan 8.250 nan 0.000 0.439 348 A N 0.656 123.459 122.820 -0.029 0.000 1.933 348 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 348 A C 2.089 179.658 177.584 -0.025 0.000 1.175 348 A CA 1.511 53.533 52.037 -0.025 0.000 0.628 348 A CB -0.693 18.291 19.000 -0.027 0.000 0.814 348 A HN 0.383 nan 8.150 nan 0.000 0.444 349 L N -0.107 121.097 121.223 -0.032 0.000 2.017 349 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 349 L C 2.627 179.486 176.870 -0.019 0.000 1.073 349 L CA 2.284 57.106 54.840 -0.030 0.000 0.745 349 L CB -0.905 41.126 42.059 -0.046 0.000 0.894 349 L HN 0.328 nan 8.230 nan 0.000 0.432 350 A N -0.329 122.478 122.820 -0.020 0.000 1.883 350 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 350 A C 2.454 180.033 177.584 -0.008 0.000 1.186 350 A CA 1.949 53.978 52.037 -0.013 0.000 0.624 350 A CB -0.598 18.390 19.000 -0.020 0.000 0.822 350 A HN 0.521 nan 8.150 nan 0.000 0.444 351 R N -0.833 119.661 120.500 -0.010 0.000 2.081 351 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 351 R C 2.364 178.660 176.300 -0.005 0.000 1.131 351 R CA 1.454 57.550 56.100 -0.007 0.000 0.960 351 R CB -0.339 29.955 30.300 -0.009 0.000 0.856 351 R HN 0.801 nan 8.270 nan 0.000 0.436 352 E N 0.608 120.803 120.200 -0.008 0.000 2.023 352 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 352 E C 1.203 177.801 176.600 -0.004 0.000 1.003 352 E CA 1.209 57.605 56.400 -0.007 0.000 0.809 352 E CB 0.112 29.806 29.700 -0.009 0.000 0.755 352 E HN 0.084 nan 8.360 nan 0.000 0.449 353 L N 1.443 122.665 121.223 -0.002 0.000 2.591 353 L HA 0.070 4.410 4.340 -0.000 0.000 0.228 353 L C -0.060 176.812 176.870 0.003 0.000 1.133 353 L CA 0.791 55.632 54.840 0.001 0.000 0.880 353 L CB -0.522 41.540 42.059 0.005 0.000 1.033 353 L HN 0.136 nan 8.230 nan 0.000 0.450 354 E N -0.788 119.414 120.200 0.003 0.000 2.210 354 E HA -0.201 4.149 4.350 -0.000 0.000 0.201 354 E C -0.512 176.095 176.600 0.012 0.000 1.339 354 E CA 0.033 56.437 56.400 0.007 0.000 0.699 354 E CB -1.272 28.431 29.700 0.006 0.000 1.126 354 E HN 0.128 nan 8.360 nan 0.000 0.355 355 V N 0.784 120.705 119.914 0.013 0.000 2.888 355 V HA 0.395 4.515 4.120 -0.000 0.000 0.309 355 V C -2.154 173.951 176.094 0.018 0.000 1.114 355 V CA -1.802 60.511 62.300 0.021 0.000 0.940 355 V CB 2.533 34.369 31.823 0.023 0.000 1.021 355 V HN 0.059 nan 8.190 nan 0.000 0.426 356 P HA 0.211 nan 4.420 nan 0.000 0.276 356 P C -0.933 176.360 177.300 -0.012 0.000 1.235 356 P CA 0.067 63.171 63.100 0.008 0.000 0.772 356 P CB 1.185 32.915 31.700 0.049 0.000 0.871 357 V N 5.935 125.823 119.914 -0.044 0.000 2.357 357 V HA 0.312 4.432 4.120 -0.000 0.000 0.284 357 V C 0.581 176.625 176.094 -0.085 0.000 1.018 357 V CA -0.530 61.747 62.300 -0.038 0.000 0.841 357 V CB 1.159 32.963 31.823 -0.032 0.000 0.991 357 V HN 0.395 nan 8.190 nan 0.000 0.437 358 I N 4.771 125.301 120.570 -0.067 0.000 2.306 358 I HA 0.591 4.761 4.170 -0.000 0.000 0.288 358 I C 0.473 176.581 176.117 -0.016 0.000 1.036 358 I CA -0.242 61.002 61.300 -0.093 0.000 1.221 358 I CB 1.307 39.249 38.000 -0.097 0.000 1.385 358 I HN 0.646 nan 8.210 nan 0.000 0.472 359 A N 8.098 130.902 122.820 -0.025 0.000 2.258 359 A HA 0.667 4.987 4.320 -0.000 0.000 0.316 359 A C -0.288 177.321 177.584 0.041 0.000 1.279 359 A CA -0.526 51.519 52.037 0.012 0.000 0.876 359 A CB 0.529 19.523 19.000 -0.010 0.000 1.170 359 A HN 0.694 nan 8.150 nan 0.000 0.520 360 L N 1.878 123.158 121.223 0.095 0.000 2.439 360 L HA 0.432 4.772 4.340 -0.000 0.000 0.269 360 L C 0.858 177.817 176.870 0.148 0.000 1.179 360 L CA 0.045 54.962 54.840 0.128 0.000 0.828 360 L CB 1.309 43.475 42.059 0.178 0.000 1.106 360 L HN 0.695 nan 8.230 nan 0.000 0.467 361 S N 1.740 117.512 115.700 0.119 0.000 2.549 361 S HA 0.371 4.841 4.470 -0.000 0.000 0.280 361 S C -0.943 173.705 174.600 0.080 0.000 1.109 361 S CA -0.690 57.585 58.200 0.126 0.000 0.905 361 S CB 1.977 65.236 63.200 0.097 0.000 1.081 361 S HN 0.629 nan 8.310 nan 0.000 0.477 362 Q N 2.443 122.280 119.800 0.062 0.000 2.222 362 Q HA 0.625 4.965 4.340 -0.000 0.000 0.252 362 Q C -1.146 174.868 176.000 0.023 0.000 0.926 362 Q CA -0.635 55.153 55.803 -0.026 0.000 0.899 362 Q CB 1.105 29.769 28.738 -0.123 0.000 1.250 362 Q HN 0.698 nan 8.270 nan 0.000 0.441 363 L N 1.832 123.057 121.223 0.004 0.000 2.343 363 L HA 0.410 4.750 4.340 -0.000 0.000 0.275 363 L C 0.301 177.162 176.870 -0.015 0.000 1.056 363 L CA -0.644 54.197 54.840 0.003 0.000 0.804 363 L CB 1.641 43.686 42.059 -0.023 0.000 1.203 363 L HN 0.774 nan 8.230 nan 0.000 0.440 364 S N 1.435 117.125 115.700 -0.017 0.000 2.596 364 S HA 0.178 4.648 4.470 -0.000 0.000 0.260 364 S C 0.492 175.074 174.600 -0.030 0.000 1.336 364 S CA -0.544 57.645 58.200 -0.019 0.000 0.993 364 S CB 0.458 63.648 63.200 -0.015 0.000 0.923 364 S HN 0.587 nan 8.310 nan 0.000 0.567 365 R N 0.882 121.367 120.500 -0.025 0.000 3.907 365 R HA 0.208 4.548 4.340 -0.000 0.000 0.241 365 R C 0.618 176.901 176.300 -0.028 0.000 1.784 365 R CA -0.037 56.048 56.100 -0.026 0.000 1.509 365 R CB -0.522 29.766 30.300 -0.021 0.000 1.275 365 R HN 0.583 nan 8.270 nan 0.000 0.642 366 S N -0.434 115.243 115.700 -0.039 0.000 2.475 366 S HA -0.032 4.438 4.470 -0.000 0.000 0.224 366 S C 1.980 176.547 174.600 -0.055 0.000 1.042 366 S CA 0.134 58.307 58.200 -0.046 0.000 0.935 366 S CB 0.321 63.488 63.200 -0.054 0.000 0.801 366 S HN 0.147 nan 8.310 nan 0.000 0.509 367 V N 2.649 122.523 119.914 -0.066 0.000 2.324 367 V HA -0.234 3.886 4.120 -0.000 0.000 0.250 367 V C 2.136 178.216 176.094 -0.024 0.000 1.060 367 V CA 1.870 64.130 62.300 -0.066 0.000 1.042 367 V CB -0.791 31.000 31.823 -0.053 0.000 0.650 367 V HN 0.519 nan 8.190 nan 0.000 0.450 368 E N -0.340 119.854 120.200 -0.010 0.000 2.274 368 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 368 E C 2.119 178.716 176.600 -0.006 0.000 0.996 368 E CA 0.513 56.914 56.400 0.003 0.000 0.840 368 E CB -0.123 29.576 29.700 -0.000 0.000 0.772 368 E HN 0.568 nan 8.360 nan 0.000 0.491 369 Q N 0.468 120.258 119.800 -0.017 0.000 2.482 369 Q HA 0.060 4.400 4.340 -0.000 0.000 0.209 369 Q C 0.630 176.617 176.000 -0.021 0.000 0.961 369 Q CA 0.570 56.362 55.803 -0.018 0.000 0.945 369 Q CB 0.192 28.917 28.738 -0.022 0.000 1.012 369 Q HN 0.218 nan 8.270 nan 0.000 0.515 375 P HA 0.070 nan 4.420 nan 0.000 0.267 375 P C -0.453 176.450 177.300 -0.661 0.000 1.200 375 P CA 0.188 62.946 63.100 -0.570 0.000 0.772 375 P CB 0.666 31.932 31.700 -0.724 0.000 0.855 376 M N 0.054 119.260 119.600 -0.657 0.000 2.846 376 M HA 0.421 4.901 4.480 -0.000 0.000 0.282 376 M C 0.788 176.954 176.300 -0.224 0.000 1.266 376 M CA -1.077 54.018 55.300 -0.343 0.000 0.766 376 M CB 0.866 33.380 32.600 -0.143 0.000 1.739 376 M HN -0.127 nan 8.290 nan 0.000 0.442 377 M N 0.972 120.637 119.600 0.108 0.000 2.149 377 M HA -0.090 4.390 4.480 -0.000 0.000 0.261 377 M C 2.238 178.588 176.300 0.083 0.000 1.064 377 M CA 2.477 57.897 55.300 0.200 0.000 1.102 377 M CB -1.548 31.142 32.600 0.150 0.000 1.369 377 M HN 1.008 nan 8.290 nan 0.000 0.408 378 S N -0.081 115.624 115.700 0.009 0.000 2.440 378 S HA -0.152 4.318 4.470 -0.000 0.000 0.238 378 S C 1.276 175.861 174.600 -0.025 0.000 1.010 378 S CA 1.305 59.500 58.200 -0.008 0.000 0.972 378 S CB -0.513 62.674 63.200 -0.022 0.000 0.774 378 S HN 0.393 nan 8.310 nan 0.000 0.501 379 D N 2.052 122.409 120.400 -0.072 0.000 2.269 379 D HA 0.057 4.697 4.640 -0.000 0.000 0.208 379 D C 1.732 178.024 176.300 -0.014 0.000 0.963 379 D CA 1.140 55.087 54.000 -0.088 0.000 0.864 379 D CB -0.198 40.475 40.800 -0.211 0.000 0.936 379 D HN 0.801 nan 8.370 nan 0.000 0.505 380 I N -2.637 117.967 120.570 0.056 0.000 4.018 380 I HA 0.298 4.468 4.170 -0.000 0.000 0.337 380 I C 1.917 178.073 176.117 0.065 0.000 1.327 380 I CA -0.258 61.099 61.300 0.095 0.000 1.100 380 I CB 0.360 38.468 38.000 0.180 0.000 1.025 380 I HN -0.283 nan 8.210 nan 0.000 0.396 381 R N 2.128 122.657 120.500 0.049 0.000 2.148 381 R HA -0.004 4.336 4.340 -0.000 0.000 0.223 381 R C 1.739 178.052 176.300 0.021 0.000 1.088 381 R CA 1.261 57.381 56.100 0.034 0.000 0.985 381 R CB -0.261 30.055 30.300 0.027 0.000 0.880 381 R HN 0.360 nan 8.270 nan 0.000 0.451 382 E N -0.665 119.544 120.200 0.016 0.000 2.502 382 E HA 0.066 4.416 4.350 -0.000 0.000 0.194 382 E C 0.282 176.891 176.600 0.016 0.000 1.062 382 E CA 0.434 56.841 56.400 0.010 0.000 0.867 382 E CB 0.455 30.157 29.700 0.003 0.000 0.888 382 E HN 0.152 nan 8.360 nan 0.000 0.510 383 S N -0.161 115.553 115.700 0.024 0.000 2.819 383 S HA 0.263 4.733 4.470 -0.000 0.000 0.249 383 S C 0.858 175.474 174.600 0.028 0.000 1.030 383 S CA -0.075 58.142 58.200 0.028 0.000 1.052 383 S CB 1.145 64.368 63.200 0.040 0.000 1.017 383 S HN 0.285 nan 8.310 nan 0.000 0.576 384 G N 1.599 110.413 108.800 0.025 0.000 2.527 384 G HA2 0.218 4.178 3.960 -0.000 0.000 0.279 384 G HA3 0.218 4.178 3.960 -0.000 0.000 0.279 384 G C 0.137 175.045 174.900 0.012 0.000 1.374 384 G CA -0.259 44.854 45.100 0.021 0.000 1.053 384 G HN 0.327 nan 8.290 nan 0.000 0.539 385 S N -0.426 115.278 115.700 0.007 0.000 3.812 385 S HA 0.186 4.656 4.470 -0.000 0.000 0.195 385 S C 1.724 176.328 174.600 0.006 0.000 1.460 385 S CA -0.655 57.550 58.200 0.008 0.000 1.052 385 S CB -0.932 62.271 63.200 0.005 0.000 1.385 385 S HN 0.413 nan 8.310 nan 0.000 0.490 386 I N 0.668 121.245 120.570 0.010 0.000 2.493 386 I HA -0.093 4.077 4.170 -0.000 0.000 0.254 386 I C 2.415 178.533 176.117 0.001 0.000 1.160 386 I CA 0.850 62.153 61.300 0.004 0.000 1.445 386 I CB -0.298 37.710 38.000 0.012 0.000 1.086 386 I HN 0.535 nan 8.210 nan 0.000 0.433 387 E N 1.410 121.618 120.200 0.013 0.000 2.070 387 E HA -0.324 4.026 4.350 -0.000 0.000 0.197 387 E C 2.198 178.799 176.600 0.002 0.000 1.004 387 E CA 1.752 58.160 56.400 0.013 0.000 0.805 387 E CB 0.060 29.778 29.700 0.029 0.000 0.744 387 E HN 0.412 nan 8.360 nan 0.000 0.451 388 Q N 0.716 120.518 119.800 0.004 0.000 2.046 388 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 388 Q C 1.841 177.837 176.000 -0.007 0.000 0.975 388 Q CA 1.894 57.698 55.803 0.001 0.000 0.836 388 Q CB -0.098 28.642 28.738 0.004 0.000 0.896 388 Q HN 0.382 nan 8.270 nan 0.000 0.428 389 D N 0.111 120.504 120.400 -0.011 0.000 2.178 389 D HA -0.021 4.619 4.640 -0.000 0.000 0.202 389 D C 0.081 176.367 176.300 -0.024 0.000 0.974 389 D CA 0.909 54.899 54.000 -0.018 0.000 0.841 389 D CB -0.247 40.541 40.800 -0.021 0.000 0.953 389 D HN 0.217 nan 8.370 nan 0.000 0.478 390 A N 1.454 124.257 122.820 -0.029 0.000 2.450 390 A HA 0.149 4.469 4.320 -0.000 0.000 0.255 390 A C 0.460 178.022 177.584 -0.037 0.000 1.096 390 A CA -0.353 51.659 52.037 -0.043 0.000 0.778 390 A CB 0.327 19.292 19.000 -0.057 0.000 1.031 390 A HN 0.011 nan 8.150 nan 0.000 0.494 391 D N 1.201 121.578 120.400 -0.037 0.000 2.354 391 D HA 0.166 4.806 4.640 -0.000 0.000 0.209 391 D C 0.226 176.509 176.300 -0.028 0.000 1.015 391 D CA 0.306 54.291 54.000 -0.024 0.000 0.867 391 D CB 0.181 40.973 40.800 -0.012 0.000 0.933 391 D HN 0.422 nan 8.370 nan 0.000 0.520 392 I N 0.273 120.811 120.570 -0.054 0.000 2.571 392 I HA 0.332 4.502 4.170 -0.000 0.000 0.286 392 I C -1.949 174.095 176.117 -0.122 0.000 1.134 392 I CA -0.985 60.276 61.300 -0.065 0.000 1.052 392 I CB 1.808 39.792 38.000 -0.027 0.000 1.237 392 I HN -0.321 nan 8.210 nan 0.000 0.435 393 V N 7.169 126.984 119.914 -0.165 0.000 2.409 393 V HA 0.830 4.950 4.120 -0.000 0.000 0.291 393 V C 0.189 176.023 176.094 -0.433 0.000 1.020 393 V CA -0.346 61.774 62.300 -0.301 0.000 0.848 393 V CB 1.358 32.985 31.823 -0.327 0.000 0.990 393 V HN 0.807 nan 8.190 nan 0.000 0.430 394 A N 5.187 127.733 122.820 -0.456 0.000 2.355 394 A HA 0.927 5.247 4.320 -0.000 0.000 0.317 394 A C -1.106 176.167 177.584 -0.517 0.000 1.094 394 A CA -0.429 51.366 52.037 -0.404 0.000 0.764 394 A CB 0.950 19.862 19.000 -0.148 0.000 1.230 394 A HN 0.649 nan 8.150 nan 0.000 0.448 395 F N 1.294 121.203 119.950 -0.068 0.000 2.480 395 F HA 0.558 5.085 4.527 0.000 0.000 0.329 395 F C 0.004 175.734 175.800 -0.117 0.000 1.091 395 F CA -0.715 57.240 58.000 -0.075 0.000 0.972 395 F CB 1.877 40.849 39.000 -0.047 0.000 1.150 395 F HN 0.305 nan 8.300 nan 0.000 0.467 396 L N 3.490 124.763 121.223 0.083 0.000 2.296 396 L HA 0.418 4.758 4.340 -0.000 0.000 0.286 396 L C -1.408 175.527 176.870 0.107 0.000 1.023 396 L CA -0.946 53.872 54.840 -0.036 0.000 0.812 396 L CB 1.452 43.401 42.059 -0.184 0.000 1.223 396 L HN 0.580 nan 8.230 nan 0.000 0.421 397 Y N 3.615 123.883 120.300 -0.053 0.000 2.386 397 Y HA 0.456 5.006 4.550 -0.000 0.000 0.334 397 Y C -0.733 175.114 175.900 -0.088 0.000 1.002 397 Y CA -0.926 57.147 58.100 -0.045 0.000 1.068 397 Y CB 1.434 39.872 38.460 -0.037 0.000 1.203 397 Y HN 0.480 nan 8.280 nan 0.000 0.443 398 R N 4.570 124.661 120.500 -0.683 0.000 2.229 398 R HA 0.192 4.532 4.340 -0.000 0.000 0.328 398 R C -0.179 175.472 176.300 -1.081 0.000 1.009 398 R CA -0.516 55.099 56.100 -0.808 0.000 0.864 398 R CB 0.977 30.644 30.300 -1.055 0.000 1.085 398 R HN 0.783 nan 8.270 nan 0.000 0.453 399 D N 1.136 121.117 120.400 -0.699 0.000 2.263 399 D HA -0.166 4.474 4.640 -0.000 0.000 0.208 399 D C 0.850 176.960 176.300 -0.318 0.000 0.971 399 D CA 1.276 55.014 54.000 -0.437 0.000 0.867 399 D CB 0.122 40.823 40.800 -0.166 0.000 0.929 399 D HN 0.587 nan 8.370 nan 0.000 0.492 400 D N -1.309 118.859 120.400 -0.386 0.000 2.398 400 D HA -0.063 4.577 4.640 -0.000 0.000 0.210 400 D C 0.377 176.609 176.300 -0.114 0.000 1.094 400 D CA -0.404 53.465 54.000 -0.219 0.000 0.839 400 D CB -0.681 40.018 40.800 -0.169 0.000 0.963 400 D HN 0.248 nan 8.370 nan 0.000 0.506 410 N N 3.875 122.563 118.700 -0.020 0.000 2.878 410 N HA 0.039 4.779 4.740 -0.000 0.000 0.282 410 N C -0.166 175.356 175.510 0.020 0.000 1.284 410 N CA -0.036 53.017 53.050 0.003 0.000 1.053 410 N CB 0.327 38.830 38.487 0.027 0.000 1.382 410 N HN 0.512 nan 8.380 nan 0.000 0.529 411 I N 0.498 121.056 120.570 -0.019 0.000 2.412 411 I HA 0.375 4.545 4.170 -0.000 0.000 0.296 411 I C -0.775 175.322 176.117 -0.033 0.000 0.987 411 I CA -0.949 60.352 61.300 0.001 0.000 1.180 411 I CB 1.533 39.528 38.000 -0.009 0.000 1.340 411 I HN 0.042 nan 8.210 nan 0.000 0.455 412 I N 6.804 127.394 120.570 0.033 0.000 2.608 412 I HA 0.395 4.565 4.170 -0.000 0.000 0.295 412 I C -0.700 175.419 176.117 0.002 0.000 1.049 412 I CA -0.482 60.820 61.300 0.003 0.000 1.063 412 I CB 2.131 40.215 38.000 0.140 0.000 1.248 412 I HN 0.645 nan 8.210 nan 0.000 0.424 413 E N 6.619 126.808 120.200 -0.019 0.000 2.231 413 E HA 0.474 4.824 4.350 -0.000 0.000 0.277 413 E C -0.926 175.655 176.600 -0.032 0.000 0.999 413 E CA -0.568 55.842 56.400 0.015 0.000 0.827 413 E CB 2.292 32.056 29.700 0.106 0.000 1.101 413 E HN 0.378 nan 8.360 nan 0.000 0.393 414 I N 4.308 124.845 120.570 -0.056 0.000 2.428 414 I HA 0.258 4.428 4.170 -0.000 0.000 0.279 414 I C -0.485 175.616 176.117 -0.026 0.000 1.040 414 I CA -0.398 60.833 61.300 -0.115 0.000 1.171 414 I CB 0.560 38.453 38.000 -0.179 0.000 1.312 414 I HN 0.324 nan 8.210 nan 0.000 0.470 415 I N 6.518 127.099 120.570 0.019 0.000 2.363 415 I HA 0.228 4.398 4.170 -0.000 0.000 0.292 415 I C 0.240 176.364 176.117 0.011 0.000 1.075 415 I CA -0.094 61.241 61.300 0.058 0.000 1.333 415 I CB 0.511 38.597 38.000 0.144 0.000 1.415 415 I HN 0.422 nan 8.210 nan 0.000 0.502 416 I N 6.465 127.037 120.570 0.004 0.000 2.269 416 I HA 0.154 4.324 4.170 -0.000 0.000 0.293 416 I C 1.325 177.430 176.117 -0.020 0.000 1.106 416 I CA 0.053 61.338 61.300 -0.025 0.000 1.248 416 I CB 1.215 39.226 38.000 0.018 0.000 1.444 416 I HN 0.758 nan 8.210 nan 0.000 0.497 417 A N 6.378 129.155 122.820 -0.073 0.000 2.021 417 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 417 A C 1.050 178.624 177.584 -0.017 0.000 1.163 417 A CA 0.884 52.919 52.037 -0.003 0.000 0.676 417 A CB 0.184 19.224 19.000 0.067 0.000 0.818 417 A HN 0.640 nan 8.150 nan 0.000 0.453 418 K N -0.295 120.068 120.400 -0.061 0.000 2.468 418 K HA 0.493 4.813 4.320 -0.000 0.000 0.252 418 K C -1.648 174.937 176.600 -0.025 0.000 0.932 418 K CA -0.493 55.773 56.287 -0.034 0.000 0.794 418 K CB 1.338 33.811 32.500 -0.044 0.000 1.241 418 K HN 0.222 nan 8.250 nan 0.000 0.428 419 Q N 4.262 124.061 119.800 -0.001 0.000 2.296 419 Q HA 0.241 4.581 4.340 -0.000 0.000 0.254 419 Q C -0.164 175.846 176.000 0.016 0.000 0.936 419 Q CA -0.503 55.308 55.803 0.014 0.000 0.834 419 Q CB 1.366 30.122 28.738 0.030 0.000 1.340 419 Q HN 0.744 nan 8.270 nan 0.000 0.428 420 R N 1.637 122.145 120.500 0.014 0.000 2.081 420 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 420 R C 0.247 176.559 176.300 0.019 0.000 1.131 420 R CA 1.062 57.171 56.100 0.014 0.000 0.960 420 R CB 0.198 30.504 30.300 0.011 0.000 0.856 420 R HN 0.405 nan 8.270 nan 0.000 0.436 421 N N 0.259 118.973 118.700 0.024 0.000 2.696 421 N HA 0.230 4.970 4.740 -0.000 0.000 0.246 421 N C -1.125 174.402 175.510 0.028 0.000 1.057 421 N CA 0.385 53.450 53.050 0.025 0.000 0.867 421 N CB 1.192 39.694 38.487 0.025 0.000 1.141 421 N HN 0.369 nan 8.380 nan 0.000 0.517 422 G N 2.529 111.344 108.800 0.026 0.000 2.347 422 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.477 422 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.477 422 G C -3.240 171.675 174.900 0.025 0.000 1.349 422 G CA -0.977 44.139 45.100 0.026 0.000 1.000 422 G HN 0.310 nan 8.290 nan 0.000 0.605 423 P HA 0.514 nan 4.420 nan 0.000 0.274 423 P C -0.489 176.825 177.300 0.023 0.000 1.260 423 P CA -0.272 62.842 63.100 0.022 0.000 0.793 423 P CB 1.126 32.837 31.700 0.019 0.000 1.048 424 V N -0.225 119.702 119.914 0.022 0.000 2.525 424 V HA 0.762 4.882 4.120 -0.000 0.000 0.299 424 V C 0.582 176.689 176.094 0.022 0.000 1.034 424 V CA 0.138 62.451 62.300 0.022 0.000 0.863 424 V CB 1.150 32.987 31.823 0.023 0.000 0.999 424 V HN 1.072 nan 8.190 nan 0.000 0.423 425 G N 3.049 111.863 108.800 0.023 0.000 2.427 425 G HA2 0.509 4.469 3.960 -0.000 0.000 0.306 425 G HA3 0.509 4.469 3.960 -0.000 0.000 0.306 425 G C -1.089 173.824 174.900 0.023 0.000 1.280 425 G CA -0.382 44.731 45.100 0.022 0.000 0.837 425 G HN 0.442 nan 8.290 nan 0.000 0.482 426 T N 0.608 115.174 114.554 0.020 0.000 2.772 426 T HA 0.581 4.931 4.350 -0.000 0.000 0.288 426 T C -0.237 174.472 174.700 0.015 0.000 0.994 426 T CA -0.263 61.850 62.100 0.022 0.000 0.951 426 T CB 1.517 70.402 68.868 0.028 0.000 0.933 426 T HN 0.475 nan 8.240 nan 0.000 0.447 427 V N 3.854 123.777 119.914 0.015 0.000 2.539 427 V HA 0.428 4.548 4.120 -0.000 0.000 0.292 427 V C 0.055 176.153 176.094 0.007 0.000 1.045 427 V CA -0.657 61.651 62.300 0.014 0.000 0.945 427 V CB 1.770 33.611 31.823 0.030 0.000 0.993 427 V HN 0.786 nan 8.190 nan 0.000 0.464 428 Q N 3.381 123.187 119.800 0.009 0.000 2.333 428 Q HA 0.733 5.073 4.340 -0.000 0.000 0.267 428 Q C -1.548 174.459 176.000 0.013 0.000 1.012 428 Q CA -0.452 55.356 55.803 0.010 0.000 0.824 428 Q CB 1.896 30.643 28.738 0.014 0.000 1.290 428 Q HN 0.635 nan 8.270 nan 0.000 0.449 429 L N 1.110 122.347 121.223 0.023 0.000 2.327 429 L HA 0.877 5.217 4.340 -0.000 0.000 0.258 429 L C -0.904 176.040 176.870 0.123 0.000 1.024 429 L CA -1.224 53.645 54.840 0.049 0.000 0.825 429 L CB 2.099 44.147 42.059 -0.017 0.000 1.386 429 L HN 0.636 nan 8.230 nan 0.000 0.417 430 A N 0.980 123.874 122.820 0.124 0.000 2.317 430 A HA 0.654 4.974 4.320 -0.000 0.000 0.327 430 A C -1.329 176.316 177.584 0.103 0.000 1.178 430 A CA -0.268 51.832 52.037 0.105 0.000 0.817 430 A CB 0.845 19.874 19.000 0.048 0.000 1.189 430 A HN 0.487 nan 8.150 nan 0.000 0.489 431 F N 2.941 122.812 119.950 -0.133 0.000 2.436 431 F HA 0.665 5.192 4.527 0.000 0.000 0.340 431 F C -0.504 175.159 175.800 -0.228 0.000 1.113 431 F CA -0.961 56.812 58.000 -0.378 0.000 1.022 431 F CB 1.047 39.750 39.000 -0.495 0.000 1.128 431 F HN 0.422 nan 8.300 nan 0.000 0.466 432 I N 7.933 127.916 120.570 -0.979 0.000 2.330 432 I HA 0.228 4.398 4.170 -0.000 0.000 0.286 432 I C 0.783 176.281 176.117 -1.032 0.000 1.025 432 I CA -0.549 60.336 61.300 -0.692 0.000 1.197 432 I CB 1.453 39.282 38.000 -0.285 0.000 1.358 432 I HN 0.709 nan 8.210 nan 0.000 0.467 433 K N 3.695 123.687 120.400 -0.680 0.000 2.044 433 K HA -0.220 4.100 4.320 -0.000 0.000 0.210 433 K C 1.402 177.810 176.600 -0.320 0.000 1.049 433 K CA 1.747 57.836 56.287 -0.330 0.000 0.927 433 K CB -0.004 32.494 32.500 -0.002 0.000 0.713 433 K HN 0.544 nan 8.250 nan 0.000 0.443 434 E N -0.094 119.855 120.200 -0.418 0.000 2.171 434 E HA -0.191 4.159 4.350 -0.000 0.000 0.197 434 E C 1.283 177.574 176.600 -0.515 0.000 0.997 434 E CA 1.561 57.646 56.400 -0.524 0.000 0.810 434 E CB -0.188 29.034 29.700 -0.797 0.000 0.738 434 E HN 0.531 nan 8.360 nan 0.000 0.467 435 Y N -1.487 118.698 120.300 -0.191 0.000 2.481 435 Y HA 0.268 4.818 4.550 -0.000 0.000 0.247 435 Y C 0.359 176.159 175.900 -0.166 0.000 1.151 435 Y CA -0.350 57.657 58.100 -0.154 0.000 1.238 435 Y CB 0.381 38.757 38.460 -0.141 0.000 1.179 435 Y HN -0.125 nan 8.280 nan 0.000 0.524 436 N N 1.511 120.101 118.700 -0.183 0.000 2.738 436 N HA -0.212 4.528 4.740 -0.000 0.000 0.249 436 N C -0.881 174.564 175.510 -0.108 0.000 1.047 436 N CA 0.538 53.510 53.050 -0.131 0.000 0.707 436 N CB -0.602 37.941 38.487 0.094 0.000 0.937 436 N HN 0.340 nan 8.380 nan 0.000 0.545 437 K N -0.082 120.090 120.400 -0.380 0.000 2.340 437 K HA 0.518 4.838 4.320 -0.000 0.000 0.244 437 K C -0.818 175.598 176.600 -0.306 0.000 0.973 437 K CA -0.630 55.573 56.287 -0.139 0.000 0.828 437 K CB 0.947 33.436 32.500 -0.019 0.000 1.226 437 K HN 0.011 nan 8.250 nan 0.000 0.437 438 F N 1.166 121.224 119.950 0.181 0.000 2.444 438 F HA 0.373 4.900 4.527 -0.000 0.000 0.342 438 F C -0.079 175.788 175.800 0.110 0.000 1.121 438 F CA -0.773 57.289 58.000 0.104 0.000 0.997 438 F CB 1.670 40.657 39.000 -0.023 0.000 1.130 438 F HN 0.010 nan 8.300 nan 0.000 0.454 439 V N 2.626 122.654 119.914 0.191 0.000 3.046 439 V HA 0.409 4.529 4.120 -0.000 0.000 0.316 439 V C 0.003 176.186 176.094 0.147 0.000 1.104 439 V CA -1.141 61.278 62.300 0.198 0.000 1.006 439 V CB 1.905 33.794 31.823 0.110 0.000 1.058 439 V HN 0.628 nan 8.190 nan 0.000 0.440 440 N N 0.536 119.347 118.700 0.186 0.000 2.267 440 N HA 0.491 5.231 4.740 -0.000 0.000 0.266 440 N C -0.476 175.082 175.510 0.081 0.000 1.295 440 N CA -0.077 53.057 53.050 0.141 0.000 0.914 440 N CB 0.174 38.749 38.487 0.146 0.000 1.083 440 N HN 0.519 nan 8.380 nan 0.000 0.507 441 L N 0.000 121.260 121.223 0.062 0.000 2.949 441 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 441 L CA 0.000 54.865 54.840 0.042 0.000 0.813 441 L CB 0.000 42.080 42.059 0.035 0.000 0.961 441 L HN 0.000 nan 8.230 nan 0.000 0.502