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 2f8t_1_B DATA FIRST_RESID 3 DATA SEQUENCE KEALLNLYRI EYRPKDTTFT VFKPTHEIQK EKLNKVRWRV FLQTGLPTFR DATA SEQUENCE REDEFWCAGK VEKDTLYLTL SNGEIVELKR VGEEEFRGFQ NERECQELFR DATA SEQUENCE DFLTKTKVKD KFISDFYKKF RDKITVQGKN RKIALIPEVN EKVLKSEEGY DATA SEQUENCE FLLHLDLKFR IQPFETLQTL LERNDFNPKR IRVKPIGIDF VGRVQDVFKA DATA SEQUENCE KEKGEEFFRL CMERSTHKSS KKAWEELLKN RELREKAFLV VLEKGYTYPA DATA SEQUENCE TILKPVLTYE NLEDEERNEV ADIVRMEPGK RLNLIRYILR RYVKALRDYG DATA SEQUENCE WYISPEEERA KGKLNFKDTV LDAKGKNTKV ITNLRKFLEL CRPFVKKDVL DATA SEQUENCE SVEIISVSVY KKLEWRKEEF LKELINFLKN KGIKLKIKGK SLILAQTREE DATA SEQUENCE AKEKLIPVIN KIKDVDLVIV FLEEYPKVDP YKSFLLYDFV KRELLKKMIP DATA SEQUENCE SQVILNRTLK NENLKFVLLN VAEQVLAKTG NIPYKLKEIE GKVDAFVGID DATA SEQUENCE ISRITRDGKT VNAVAFTKIF NSKGELVRYY LTSYPAFGEK LTEKAIGDVF DATA SEQUENCE SLLEKLGFKK GSKIVVHRDG RLYRDEVAAF KKYGELYGYS LELLEIIKRN DATA SEQUENCE NPRFFSNEKF IKGYFYKLSE DSVILATYNQ VYEGTHQPIK VRKVYGELPV DATA SEQUENCE EVLCSQILSL TLMNYSSFQP IKLPATVHYS DKITKLMLRG IEPIKKEGDI DATA SEQUENCE MYWL 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.669 176.600 0.114 0.000 0.988 3 K CA 0.000 56.338 56.287 0.085 0.000 0.838 3 K CB 0.000 32.560 32.500 0.100 0.000 1.064 4 E N 0.784 121.027 120.200 0.070 0.000 2.418 4 E HA 0.229 4.579 4.350 0.001 0.000 0.261 4 E C -0.414 176.174 176.600 -0.019 0.000 1.070 4 E CA 0.310 56.751 56.400 0.070 0.000 0.931 4 E CB 1.052 30.783 29.700 0.051 0.000 0.954 4 E HN 0.314 nan 8.360 nan 0.000 0.439 5 A N 2.779 125.579 122.820 -0.034 0.000 2.355 5 A HA 0.514 4.834 4.320 0.001 0.000 0.317 5 A C -1.099 176.543 177.584 0.097 0.000 1.094 5 A CA -0.670 51.286 52.037 -0.135 0.000 0.764 5 A CB 0.652 19.307 19.000 -0.574 0.000 1.230 5 A HN 0.341 nan 8.150 nan 0.000 0.448 6 L N 1.893 123.215 121.223 0.165 0.000 2.322 6 L HA 0.597 4.937 4.340 0.001 0.000 0.279 6 L C -0.470 176.545 176.870 0.242 0.000 1.036 6 L CA -0.067 54.880 54.840 0.178 0.000 0.807 6 L CB 1.449 43.591 42.059 0.138 0.000 1.226 6 L HN 0.628 nan 8.230 nan 0.000 0.433 7 L N 2.670 123.917 121.223 0.040 0.000 2.331 7 L HA 0.423 4.763 4.340 0.001 0.000 0.275 7 L C 0.338 177.128 176.870 -0.134 0.000 1.022 7 L CA -0.468 54.293 54.840 -0.132 0.000 0.812 7 L CB 1.067 42.840 42.059 -0.477 0.000 1.257 7 L HN 0.625 nan 8.230 nan 0.000 0.435 8 N N 4.015 122.738 118.700 0.038 0.000 3.193 8 N HA 0.106 4.846 4.740 0.001 0.000 0.312 8 N C -1.063 174.331 175.510 -0.193 0.000 1.261 8 N CA 0.192 53.229 53.050 -0.022 0.000 1.208 8 N CB -0.402 38.289 38.487 0.340 0.000 1.471 8 N HN 0.457 nan 8.380 nan 0.000 0.548 9 L N 1.164 122.058 121.223 -0.549 0.000 2.386 9 L HA 0.487 4.828 4.340 0.001 0.000 0.271 9 L C -1.212 175.319 176.870 -0.566 0.000 0.993 9 L CA -1.033 53.573 54.840 -0.390 0.000 0.819 9 L CB 1.445 43.262 42.059 -0.404 0.000 1.294 9 L HN 0.108 nan 8.230 nan 0.000 0.414 10 Y N 1.286 121.615 120.300 0.048 0.000 2.354 10 Y HA 0.402 4.953 4.550 0.001 0.000 0.330 10 Y C 0.019 175.980 175.900 0.102 0.000 1.011 10 Y CA -0.703 57.435 58.100 0.063 0.000 1.099 10 Y CB 1.917 40.401 38.460 0.041 0.000 1.179 10 Y HN 0.487 nan 8.280 nan 0.000 0.442 11 R N 3.560 124.203 120.500 0.238 0.000 2.585 11 R HA 0.363 4.703 4.340 0.001 0.000 0.275 11 R C -1.156 175.273 176.300 0.214 0.000 1.018 11 R CA 0.464 56.693 56.100 0.214 0.000 1.072 11 R CB 0.229 30.547 30.300 0.029 0.000 0.953 11 R HN 0.762 nan 8.270 nan 0.000 0.419 12 I N 3.323 124.043 120.570 0.249 0.000 2.534 12 I HA 0.260 4.431 4.170 0.001 0.000 0.288 12 I C -0.868 175.447 176.117 0.329 0.000 1.077 12 I CA -0.606 60.843 61.300 0.248 0.000 1.051 12 I CB 2.318 40.394 38.000 0.127 0.000 1.234 12 I HN 0.716 nan 8.210 nan 0.000 0.425 13 E N 4.091 124.495 120.200 0.341 0.000 2.340 13 E HA 0.351 4.702 4.350 0.001 0.000 0.273 13 E C -1.840 174.885 176.600 0.209 0.000 0.891 13 E CA -0.689 55.879 56.400 0.280 0.000 0.757 13 E CB 3.076 32.850 29.700 0.125 0.000 1.231 13 E HN 0.402 nan 8.360 nan 0.000 0.439 14 Y N 2.687 122.942 120.300 -0.075 0.000 2.464 14 Y HA 0.427 4.977 4.550 0.001 0.000 0.326 14 Y C -1.081 174.640 175.900 -0.299 0.000 0.969 14 Y CA -0.650 57.166 58.100 -0.474 0.000 1.270 14 Y CB 0.646 38.612 38.460 -0.824 0.000 1.103 14 Y HN 0.365 nan 8.280 nan 0.000 0.491 15 R N 7.733 127.789 120.500 -0.741 0.000 2.407 15 R HA 0.344 4.685 4.340 0.001 0.000 0.298 15 R C -2.810 173.099 176.300 -0.651 0.000 1.166 15 R CA -1.855 53.875 56.100 -0.616 0.000 1.006 15 R CB 1.143 31.172 30.300 -0.453 0.000 1.145 15 R HN 0.448 nan 8.270 nan 0.000 0.538 16 P HA 0.141 nan 4.420 nan 0.000 0.274 16 P C -0.279 176.916 177.300 -0.174 0.000 1.237 16 P CA -0.418 62.425 63.100 -0.429 0.000 0.793 16 P CB 1.319 32.816 31.700 -0.339 0.000 0.977 17 K N -0.228 120.132 120.400 -0.066 0.000 2.155 17 K HA -0.024 4.296 4.320 0.001 0.000 0.203 17 K C 0.901 177.515 176.600 0.023 0.000 1.052 17 K CA 0.942 57.220 56.287 -0.014 0.000 0.948 17 K CB -0.108 32.397 32.500 0.008 0.000 0.728 17 K HN 0.481 nan 8.250 nan 0.000 0.448 18 D N 0.730 121.160 120.400 0.051 0.000 2.352 18 D HA 0.019 4.659 4.640 0.001 0.000 0.245 18 D C -0.367 176.038 176.300 0.175 0.000 1.224 18 D CA 0.382 54.444 54.000 0.103 0.000 0.879 18 D CB 1.140 42.009 40.800 0.115 0.000 1.057 18 D HN -0.011 nan 8.370 nan 0.000 0.491 19 T N 2.303 116.973 114.554 0.193 0.000 3.235 19 T HA 0.035 4.385 4.350 0.001 0.000 0.251 19 T C 0.540 175.512 174.700 0.454 0.000 1.060 19 T CA 0.089 62.372 62.100 0.304 0.000 0.949 19 T CB 0.128 69.120 68.868 0.207 0.000 1.020 19 T HN 0.232 nan 8.240 nan 0.000 0.564 20 T N 2.991 117.775 114.554 0.384 0.000 2.743 20 T HA 0.400 4.751 4.350 0.001 0.000 0.290 20 T C -0.804 174.111 174.700 0.358 0.000 0.908 20 T CA 0.121 62.398 62.100 0.294 0.000 1.092 20 T CB -0.268 68.685 68.868 0.141 0.000 0.882 20 T HN 0.084 nan 8.240 nan 0.000 0.531 21 F N 1.683 121.694 119.950 0.101 0.000 2.556 21 F HA 0.389 4.917 4.527 0.001 0.000 0.314 21 F C 0.513 176.256 175.800 -0.095 0.000 1.106 21 F CA -0.927 57.119 58.000 0.076 0.000 0.911 21 F CB 2.099 41.248 39.000 0.248 0.000 1.190 21 F HN 0.280 nan 8.300 nan 0.000 0.448 22 T N 3.389 117.948 114.554 0.007 0.000 2.767 22 T HA 0.591 4.942 4.350 0.001 0.000 0.284 22 T C -0.493 174.141 174.700 -0.109 0.000 0.973 22 T CA -0.602 61.452 62.100 -0.078 0.000 0.996 22 T CB 1.229 70.104 68.868 0.013 0.000 0.927 22 T HN 0.229 nan 8.240 nan 0.000 0.456 23 V N 4.026 123.728 119.914 -0.354 0.000 2.472 23 V HA 0.591 4.712 4.120 0.001 0.000 0.290 23 V C -0.727 175.188 176.094 -0.298 0.000 1.037 23 V CA -0.792 61.285 62.300 -0.372 0.000 0.908 23 V CB 0.816 32.254 31.823 -0.642 0.000 0.985 23 V HN 0.735 nan 8.190 nan 0.000 0.454 24 F N 2.757 122.683 119.950 -0.040 0.000 2.546 24 F HA 0.659 5.187 4.527 0.001 0.000 0.320 24 F C 0.111 175.994 175.800 0.138 0.000 1.076 24 F CA -0.794 57.225 58.000 0.033 0.000 0.928 24 F CB 1.951 40.962 39.000 0.018 0.000 1.189 24 F HN 0.279 nan 8.300 nan 0.000 0.465 25 K N 3.775 124.317 120.400 0.237 0.000 2.371 25 K HA 0.535 4.856 4.320 0.001 0.000 0.251 25 K C -3.038 173.671 176.600 0.182 0.000 0.934 25 K CA -2.065 54.340 56.287 0.196 0.000 0.798 25 K CB 2.510 35.063 32.500 0.089 0.000 1.204 25 K HN 0.215 nan 8.250 nan 0.000 0.427 26 P HA 0.095 nan 4.420 nan 0.000 0.278 26 P C 0.447 177.790 177.300 0.071 0.000 1.258 26 P CA -0.257 62.935 63.100 0.154 0.000 0.811 26 P CB 0.979 32.803 31.700 0.206 0.000 1.063 27 T N -3.192 111.370 114.554 0.012 0.000 2.942 27 T HA -0.017 4.333 4.350 0.001 0.000 0.265 27 T C 0.929 175.459 174.700 -0.283 0.000 1.062 27 T CA 1.107 63.117 62.100 -0.149 0.000 1.139 27 T CB -0.551 68.189 68.868 -0.214 0.000 0.883 27 T HN 0.408 nan 8.240 nan 0.000 0.468 28 H N 0.438 119.557 119.070 0.082 0.000 2.810 28 H HA 0.645 5.202 4.556 0.001 0.000 0.316 28 H C -0.770 174.609 175.328 0.084 0.000 1.426 28 H CA -0.873 55.219 56.048 0.073 0.000 1.413 28 H CB 1.104 30.906 29.762 0.066 0.000 1.874 28 H HN 0.159 nan 8.280 nan 0.000 0.737 29 E N 1.039 121.376 120.200 0.228 0.000 2.035 29 E HA 0.246 4.596 4.350 0.001 0.000 0.271 29 E C -0.400 176.289 176.600 0.147 0.000 0.953 29 E CA -0.357 56.137 56.400 0.156 0.000 0.777 29 E CB -0.046 29.724 29.700 0.117 0.000 1.104 29 E HN 0.276 nan 8.360 nan 0.000 0.408 30 I N 3.656 124.324 120.570 0.163 0.000 2.919 30 I HA -0.163 4.007 4.170 0.001 0.000 0.299 30 I C 1.082 177.272 176.117 0.122 0.000 1.221 30 I CA 0.658 62.053 61.300 0.158 0.000 1.424 30 I CB 0.297 38.423 38.000 0.210 0.000 1.358 30 I HN 0.464 nan 8.210 nan 0.000 0.551 31 Q N 7.070 126.929 119.800 0.099 0.000 2.263 31 Q HA -0.052 4.289 4.340 0.001 0.000 0.289 31 Q C 0.911 176.963 176.000 0.088 0.000 1.061 31 Q CA 0.344 56.194 55.803 0.077 0.000 0.927 31 Q CB 0.724 29.497 28.738 0.058 0.000 1.154 31 Q HN 0.565 nan 8.270 nan 0.000 0.378 32 K N 3.074 123.521 120.400 0.078 0.000 2.147 32 K HA -0.177 4.143 4.320 0.001 0.000 0.205 32 K C 0.737 177.389 176.600 0.086 0.000 1.049 32 K CA 1.280 57.617 56.287 0.084 0.000 0.936 32 K CB 0.197 32.738 32.500 0.068 0.000 0.722 32 K HN 0.601 nan 8.250 nan 0.000 0.446 33 E N 0.413 120.657 120.200 0.073 0.000 2.382 33 E HA -0.041 4.310 4.350 0.001 0.000 0.190 33 E C 0.577 177.225 176.600 0.080 0.000 1.125 33 E CA 0.428 56.871 56.400 0.072 0.000 0.929 33 E CB 0.231 29.966 29.700 0.058 0.000 1.053 33 E HN 0.147 nan 8.360 nan 0.000 0.475 34 K N -1.056 119.404 120.400 0.100 0.000 2.529 34 K HA 0.169 4.490 4.320 0.001 0.000 0.215 34 K C 1.283 177.977 176.600 0.158 0.000 1.286 34 K CA -0.116 56.238 56.287 0.112 0.000 0.997 34 K CB 0.559 33.120 32.500 0.101 0.000 1.063 34 K HN 0.016 nan 8.250 nan 0.000 0.590 35 L N 1.455 122.785 121.223 0.179 0.000 2.013 35 L HA -0.268 4.073 4.340 0.001 0.000 0.212 35 L C 1.697 178.742 176.870 0.292 0.000 1.073 35 L CA 1.450 56.446 54.840 0.260 0.000 0.753 35 L CB -0.449 41.732 42.059 0.203 0.000 0.890 35 L HN 0.198 nan 8.230 nan 0.000 0.432 36 N N 0.107 118.935 118.700 0.214 0.000 2.058 36 N HA -0.170 4.571 4.740 0.001 0.000 0.191 36 N C 1.669 177.315 175.510 0.226 0.000 1.037 36 N CA 1.196 54.372 53.050 0.209 0.000 0.848 36 N CB -0.245 38.325 38.487 0.139 0.000 1.021 36 N HN 0.289 nan 8.380 nan 0.000 0.422 37 K N 0.290 120.795 120.400 0.176 0.000 2.160 37 K HA -0.091 4.230 4.320 0.001 0.000 0.206 37 K C 1.801 178.534 176.600 0.221 0.000 1.047 37 K CA 0.916 57.312 56.287 0.182 0.000 0.930 37 K CB -0.152 32.420 32.500 0.120 0.000 0.720 37 K HN 0.073 nan 8.250 nan 0.000 0.450 38 V N 1.405 121.432 119.914 0.189 0.000 2.331 38 V HA -0.132 3.989 4.120 0.001 0.000 0.242 38 V C 2.459 178.550 176.094 -0.004 0.000 1.034 38 V CA 1.195 63.541 62.300 0.077 0.000 1.027 38 V CB -0.453 31.418 31.823 0.080 0.000 0.667 38 V HN 0.314 nan 8.190 nan 0.000 0.457 39 R N -0.025 120.601 120.500 0.211 0.000 2.105 39 R HA -0.246 4.094 4.340 0.001 0.000 0.239 39 R C 2.203 178.626 176.300 0.205 0.000 1.135 39 R CA 2.225 58.492 56.100 0.278 0.000 0.967 39 R CB -0.837 29.830 30.300 0.611 0.000 0.861 39 R HN 0.742 nan 8.270 nan 0.000 0.442 40 W N 1.873 123.224 121.300 0.085 0.000 2.315 40 W HA -0.235 4.426 4.660 0.001 0.000 0.323 40 W C 1.680 178.250 176.519 0.085 0.000 1.233 40 W CA 1.422 58.815 57.345 0.081 0.000 1.267 40 W CB -0.279 29.217 29.460 0.061 0.000 1.160 40 W HN 0.105 nan 8.180 nan 0.000 0.474 41 R N 0.318 120.777 120.500 -0.068 0.000 2.152 41 R HA -0.128 4.213 4.340 0.001 0.000 0.232 41 R C 2.012 178.127 176.300 -0.308 0.000 1.117 41 R CA 1.285 57.248 56.100 -0.229 0.000 0.981 41 R CB -0.936 29.335 30.300 -0.048 0.000 0.870 41 R HN 0.238 nan 8.270 nan 0.000 0.451 42 V N 0.742 120.482 119.914 -0.289 0.000 2.427 42 V HA -0.231 3.890 4.120 0.001 0.000 0.248 42 V C 1.959 177.875 176.094 -0.298 0.000 1.051 42 V CA 1.680 63.773 62.300 -0.344 0.000 1.048 42 V CB -0.564 31.020 31.823 -0.399 0.000 0.666 42 V HN 0.225 nan 8.190 nan 0.000 0.456 43 F N -0.161 119.541 119.950 -0.414 0.000 2.163 43 F HA -0.060 4.467 4.527 0.001 0.000 0.297 43 F C 2.019 177.526 175.800 -0.488 0.000 1.094 43 F CA 1.368 59.120 58.000 -0.413 0.000 1.290 43 F CB -0.208 38.564 39.000 -0.380 0.000 1.017 43 F HN -0.021 nan 8.300 nan 0.000 0.483 44 L N 0.426 121.181 121.223 -0.781 0.000 1.944 44 L HA -0.307 4.034 4.340 0.001 0.000 0.218 44 L C 2.673 179.213 176.870 -0.551 0.000 1.075 44 L CA 2.167 56.555 54.840 -0.753 0.000 0.767 44 L CB -1.283 40.427 42.059 -0.582 0.000 0.890 44 L HN 0.288 nan 8.230 nan 0.000 0.434 45 Q N -1.070 118.484 119.800 -0.410 0.000 2.152 45 Q HA -0.216 4.125 4.340 0.001 0.000 0.206 45 Q C 2.073 177.878 176.000 -0.325 0.000 0.985 45 Q CA 2.205 57.820 55.803 -0.313 0.000 0.863 45 Q CB -0.014 28.560 28.738 -0.274 0.000 0.904 45 Q HN 0.479 nan 8.270 nan 0.000 0.422 46 T N -1.961 112.361 114.554 -0.386 0.000 2.976 46 T HA 0.080 4.430 4.350 0.001 0.000 0.257 46 T C 0.992 175.476 174.700 -0.360 0.000 1.051 46 T CA 1.069 62.965 62.100 -0.341 0.000 1.141 46 T CB 0.052 68.719 68.868 -0.336 0.000 0.881 46 T HN 0.618 nan 8.240 nan 0.000 0.461 47 G N 0.985 109.461 108.800 -0.539 0.000 2.176 47 G HA2 -0.196 3.764 3.960 0.001 0.000 0.253 47 G HA3 -0.196 3.764 3.960 0.001 0.000 0.253 47 G C -0.050 174.550 174.900 -0.501 0.000 0.979 47 G CA 0.190 44.944 45.100 -0.577 0.000 0.641 47 G HN 0.541 nan 8.290 nan 0.000 0.530 48 L N -0.020 120.973 121.223 -0.384 0.000 2.385 48 L HA 0.512 4.853 4.340 0.001 0.000 0.273 48 L C -2.363 174.522 176.870 0.025 0.000 0.990 48 L CA -2.591 52.128 54.840 -0.202 0.000 0.821 48 L CB 2.138 44.082 42.059 -0.192 0.000 1.279 48 L HN -0.227 nan 8.230 nan 0.000 0.412 49 P HA 0.017 nan 4.420 nan 0.000 0.266 49 P C -0.628 176.755 177.300 0.138 0.000 1.186 49 P CA 0.426 63.544 63.100 0.030 0.000 0.767 49 P CB 0.526 32.038 31.700 -0.313 0.000 0.820 50 T N 2.549 117.220 114.554 0.196 0.000 2.900 50 T HA 0.692 5.043 4.350 0.001 0.000 0.295 50 T C -0.547 174.389 174.700 0.394 0.000 1.044 50 T CA -0.262 61.991 62.100 0.255 0.000 0.995 50 T CB 0.633 69.634 68.868 0.222 0.000 1.072 50 T HN 0.279 nan 8.240 nan 0.000 0.473 51 F N -0.255 119.951 119.950 0.426 0.000 2.654 51 F HA 0.837 5.365 4.527 0.000 0.000 0.334 51 F C -0.463 175.538 175.800 0.334 0.000 1.078 51 F CA -1.642 56.558 58.000 0.333 0.000 0.986 51 F CB 1.373 40.545 39.000 0.287 0.000 1.362 51 F HN 0.363 nan 8.300 nan 0.000 0.498 52 R N 1.341 122.140 120.500 0.498 0.000 2.437 52 R HA 0.482 4.823 4.340 0.001 0.000 0.310 52 R C -1.127 175.320 176.300 0.245 0.000 0.955 52 R CA -0.869 55.322 56.100 0.151 0.000 0.851 52 R CB 1.271 31.520 30.300 -0.085 0.000 1.161 52 R HN 0.798 nan 8.270 nan 0.000 0.446 53 R N 3.942 124.563 120.500 0.201 0.000 2.247 53 R HA 0.127 4.467 4.340 0.001 0.000 0.329 53 R C -0.005 176.347 176.300 0.087 0.000 1.014 53 R CA -0.260 55.939 56.100 0.164 0.000 0.907 53 R CB 1.132 31.574 30.300 0.237 0.000 1.146 53 R HN 0.903 nan 8.270 nan 0.000 0.499 54 E N 0.871 121.095 120.200 0.040 0.000 3.317 54 E HA -0.351 4.000 4.350 0.001 0.000 0.436 54 E C 0.526 177.104 176.600 -0.036 0.000 1.571 54 E CA 2.170 58.581 56.400 0.019 0.000 1.219 54 E CB -0.654 29.076 29.700 0.049 0.000 1.424 54 E HN 0.803 nan 8.360 nan 0.000 0.457 55 D N 2.077 122.479 120.400 0.004 0.000 2.340 55 D HA -0.009 4.631 4.640 0.001 0.000 0.220 55 D C -0.092 176.202 176.300 -0.010 0.000 1.039 55 D CA 0.590 54.598 54.000 0.012 0.000 0.866 55 D CB 0.053 40.897 40.800 0.073 0.000 0.913 55 D HN 0.319 nan 8.370 nan 0.000 0.523 56 E N -0.298 119.875 120.200 -0.046 0.000 2.227 56 E HA 0.420 4.771 4.350 0.001 0.000 0.268 56 E C -1.086 175.489 176.600 -0.043 0.000 0.907 56 E CA -0.781 55.654 56.400 0.059 0.000 0.786 56 E CB 1.684 31.497 29.700 0.189 0.000 1.191 56 E HN -0.009 nan 8.360 nan 0.000 0.411 57 F N 0.965 121.074 119.950 0.266 0.000 2.469 57 F HA 0.384 4.912 4.527 0.001 0.000 0.332 57 F C -0.592 175.326 175.800 0.197 0.000 1.103 57 F CA -0.671 57.484 58.000 0.258 0.000 0.979 57 F CB 1.054 40.151 39.000 0.163 0.000 1.137 57 F HN 0.344 nan 8.300 nan 0.000 0.463 58 W N 2.892 124.174 121.300 -0.030 0.000 2.411 58 W HA 0.570 5.230 4.660 -0.000 0.000 0.317 58 W C -1.208 175.307 176.519 -0.006 0.000 1.030 58 W CA -0.855 56.393 57.345 -0.161 0.000 1.239 58 W CB 1.675 30.528 29.460 -1.010 0.000 1.304 58 W HN 0.319 nan 8.180 nan 0.000 0.437 59 C N 3.364 122.797 119.300 0.221 0.000 2.281 59 C HA 0.584 5.044 4.460 0.001 0.000 0.323 59 C C 1.086 175.763 174.990 -0.521 0.000 1.270 59 C CA -0.928 58.077 59.018 -0.021 0.000 1.559 59 C CB -0.019 27.709 27.740 -0.019 0.000 2.239 59 C HN 0.759 nan 8.230 nan 0.000 0.488 60 A N 3.479 125.906 122.820 -0.656 0.000 3.125 60 A HA 0.520 4.841 4.320 0.001 0.000 0.272 60 A C 0.956 178.249 177.584 -0.485 0.000 1.976 60 A CA 0.941 52.374 52.037 -1.006 0.000 1.502 60 A CB -1.029 17.848 19.000 -0.205 0.000 0.959 60 A HN 1.481 nan 8.150 nan 0.000 0.608 61 G N 0.114 108.627 108.800 -0.479 0.000 2.333 61 G HA2 0.321 4.282 3.960 0.001 0.000 0.288 61 G HA3 0.321 4.282 3.960 0.001 0.000 0.288 61 G C -1.310 173.510 174.900 -0.133 0.000 1.286 61 G CA -1.025 43.955 45.100 -0.200 0.000 0.865 61 G HN 0.255 nan 8.290 nan 0.000 0.506 62 K N 0.495 120.855 120.400 -0.066 0.000 2.293 62 K HA 0.578 4.899 4.320 0.001 0.000 0.267 62 K C -0.848 175.737 176.600 -0.026 0.000 1.010 62 K CA -0.510 55.756 56.287 -0.035 0.000 0.875 62 K CB 2.138 34.626 32.500 -0.019 0.000 1.106 62 K HN 0.303 nan 8.250 nan 0.000 0.450 63 V N 3.138 123.055 119.914 0.004 0.000 2.409 63 V HA 0.146 4.266 4.120 0.001 0.000 0.291 63 V C 0.715 176.831 176.094 0.035 0.000 1.020 63 V CA -0.573 61.748 62.300 0.035 0.000 0.848 63 V CB 1.462 33.361 31.823 0.125 0.000 0.990 63 V HN 0.771 nan 8.190 nan 0.000 0.430 64 E N 1.908 122.113 120.200 0.009 0.000 2.276 64 E HA 0.088 4.439 4.350 0.001 0.000 0.193 64 E C 0.346 176.946 176.600 -0.001 0.000 0.983 64 E CA 0.140 56.536 56.400 -0.007 0.000 0.861 64 E CB 0.286 29.976 29.700 -0.017 0.000 0.817 64 E HN 0.624 nan 8.360 nan 0.000 0.485 65 K N 1.909 122.319 120.400 0.016 0.000 2.559 65 K HA -0.080 4.241 4.320 0.001 0.000 0.279 65 K C 0.076 176.694 176.600 0.030 0.000 0.967 65 K CA 0.473 56.768 56.287 0.012 0.000 1.000 65 K CB 0.366 32.864 32.500 -0.004 0.000 0.890 65 K HN 0.095 nan 8.250 nan 0.000 0.501 66 D N 0.680 121.073 120.400 -0.011 0.000 2.290 66 D HA -0.069 4.572 4.640 0.001 0.000 0.224 66 D C 0.688 176.971 176.300 -0.029 0.000 0.967 66 D CA 0.785 54.761 54.000 -0.039 0.000 0.893 66 D CB -0.422 40.349 40.800 -0.049 0.000 1.037 66 D HN 0.612 nan 8.370 nan 0.000 0.477 67 T N -0.294 114.206 114.554 -0.089 0.000 2.928 67 T HA 0.637 4.987 4.350 0.001 0.000 0.284 67 T C 0.174 174.695 174.700 -0.298 0.000 1.008 67 T CA -0.833 61.139 62.100 -0.213 0.000 1.057 67 T CB 1.888 70.522 68.868 -0.390 0.000 1.018 67 T HN -0.044 nan 8.240 nan 0.000 0.493 68 L N 2.119 123.135 121.223 -0.345 0.000 2.356 68 L HA 0.448 4.788 4.340 0.001 0.000 0.277 68 L C -1.170 175.421 176.870 -0.464 0.000 0.996 68 L CA -1.096 53.497 54.840 -0.413 0.000 0.822 68 L CB 1.494 43.298 42.059 -0.425 0.000 1.256 68 L HN 0.753 nan 8.230 nan 0.000 0.413 69 Y N 4.396 124.649 120.300 -0.078 0.000 2.331 69 Y HA 0.586 5.136 4.550 0.001 0.000 0.338 69 Y C -0.264 175.585 175.900 -0.086 0.000 0.976 69 Y CA -0.869 57.194 58.100 -0.062 0.000 1.137 69 Y CB 1.579 40.016 38.460 -0.038 0.000 1.172 69 Y HN 0.333 nan 8.280 nan 0.000 0.478 70 L N 3.581 124.862 121.223 0.097 0.000 2.385 70 L HA 0.612 4.952 4.340 0.001 0.000 0.273 70 L C -0.749 176.139 176.870 0.031 0.000 0.990 70 L CA -0.784 54.060 54.840 0.007 0.000 0.821 70 L CB 2.228 44.247 42.059 -0.067 0.000 1.279 70 L HN 0.526 nan 8.230 nan 0.000 0.412 71 T N 3.261 117.828 114.554 0.021 0.000 2.791 71 T HA 0.582 4.933 4.350 0.001 0.000 0.288 71 T C 0.375 175.097 174.700 0.036 0.000 0.999 71 T CA -0.618 61.497 62.100 0.025 0.000 0.952 71 T CB 1.020 69.896 68.868 0.014 0.000 0.938 71 T HN 0.300 nan 8.240 nan 0.000 0.444 72 L N 1.628 122.874 121.223 0.039 0.000 2.598 72 L HA 0.274 4.614 4.340 0.001 0.000 0.202 72 L C 2.070 178.957 176.870 0.029 0.000 1.190 72 L CA -0.733 54.135 54.840 0.047 0.000 0.869 72 L CB -0.201 41.885 42.059 0.045 0.000 1.529 72 L HN 0.697 nan 8.230 nan 0.000 0.520 73 S N -1.447 114.261 115.700 0.014 0.000 2.496 73 S HA -0.042 4.429 4.470 0.001 0.000 0.224 73 S C 1.286 175.874 174.600 -0.020 0.000 0.996 73 S CA 0.273 58.463 58.200 -0.016 0.000 0.927 73 S CB -0.460 62.700 63.200 -0.067 0.000 0.774 73 S HN 0.594 nan 8.310 nan 0.000 0.524 74 N N 2.207 120.901 118.700 -0.009 0.000 2.244 74 N HA 0.052 4.793 4.740 0.001 0.000 0.183 74 N C 1.623 177.129 175.510 -0.007 0.000 1.016 74 N CA 1.223 54.268 53.050 -0.009 0.000 0.866 74 N CB -0.781 37.705 38.487 -0.001 0.000 0.980 74 N HN 0.677 nan 8.380 nan 0.000 0.430 75 G N 0.749 109.548 108.800 -0.001 0.000 2.217 75 G HA2 -0.325 3.636 3.960 0.001 0.000 0.246 75 G HA3 -0.325 3.636 3.960 0.001 0.000 0.246 75 G C -0.022 174.878 174.900 -0.000 0.000 0.990 75 G CA 0.280 45.380 45.100 -0.001 0.000 0.627 75 G HN 0.503 nan 8.290 nan 0.000 0.522 76 E N 0.540 120.743 120.200 0.005 0.000 2.534 76 E HA 0.226 4.577 4.350 0.001 0.000 0.264 76 E C 0.199 176.811 176.600 0.019 0.000 0.981 76 E CA 0.137 56.543 56.400 0.010 0.000 0.948 76 E CB 0.086 29.797 29.700 0.018 0.000 0.934 76 E HN 0.415 nan 8.360 nan 0.000 0.459 77 I N 5.067 125.649 120.570 0.020 0.000 2.330 77 I HA 0.162 4.332 4.170 0.001 0.000 0.289 77 I C -0.623 175.547 176.117 0.088 0.000 1.001 77 I CA -0.926 60.396 61.300 0.037 0.000 1.193 77 I CB 1.617 39.609 38.000 -0.014 0.000 1.345 77 I HN 0.272 nan 8.210 nan 0.000 0.461 78 V N 6.214 126.191 119.914 0.105 0.000 2.383 78 V HA 0.231 4.351 4.120 0.001 0.000 0.275 78 V C 0.184 176.381 176.094 0.172 0.000 1.036 78 V CA -0.557 61.818 62.300 0.125 0.000 0.889 78 V CB 1.408 33.275 31.823 0.073 0.000 0.985 78 V HN 0.718 nan 8.190 nan 0.000 0.459 79 E N 4.900 125.223 120.200 0.205 0.000 2.231 79 E HA 0.685 5.035 4.350 0.001 0.000 0.277 79 E C -1.430 175.214 176.600 0.073 0.000 0.999 79 E CA -0.553 55.963 56.400 0.194 0.000 0.827 79 E CB 1.252 31.116 29.700 0.272 0.000 1.101 79 E HN 0.611 nan 8.360 nan 0.000 0.393 80 L N 3.922 125.141 121.223 -0.007 0.000 2.436 80 L HA 0.459 4.800 4.340 0.001 0.000 0.268 80 L C -0.675 176.271 176.870 0.126 0.000 0.974 80 L CA -0.862 54.032 54.840 0.091 0.000 0.826 80 L CB 2.062 44.182 42.059 0.102 0.000 1.291 80 L HN 0.441 nan 8.230 nan 0.000 0.406 81 K N 3.101 123.561 120.400 0.100 0.000 2.213 81 K HA 0.332 4.652 4.320 0.001 0.000 0.270 81 K C -0.280 176.234 176.600 -0.143 0.000 1.002 81 K CA -0.858 55.429 56.287 0.000 0.000 0.868 81 K CB 2.009 34.488 32.500 -0.035 0.000 1.093 81 K HN 0.468 nan 8.250 nan 0.000 0.454 82 R N 3.859 124.141 120.500 -0.363 0.000 2.633 82 R HA -0.044 4.297 4.340 0.001 0.000 0.357 82 R C 0.467 176.443 176.300 -0.541 0.000 0.923 82 R CA 0.074 55.603 56.100 -0.950 0.000 1.046 82 R CB 0.012 29.908 30.300 -0.674 0.000 0.924 82 R HN 0.498 nan 8.270 nan 0.000 0.413 83 V N 4.492 124.102 119.914 -0.506 0.000 2.358 83 V HA -0.038 4.083 4.120 0.001 0.000 0.246 83 V C 1.458 177.398 176.094 -0.257 0.000 1.047 83 V CA 2.163 64.293 62.300 -0.282 0.000 1.035 83 V CB -0.663 31.037 31.823 -0.205 0.000 0.658 83 V HN 1.073 nan 8.190 nan 0.000 0.452 84 G N -1.039 107.571 108.800 -0.317 0.000 2.356 84 G HA2 0.147 4.107 3.960 0.001 0.000 0.266 84 G HA3 0.147 4.107 3.960 0.001 0.000 0.266 84 G C -1.528 173.230 174.900 -0.237 0.000 1.312 84 G CA -0.703 44.258 45.100 -0.232 0.000 0.922 84 G HN 0.249 nan 8.290 nan 0.000 0.480 85 E N 0.148 120.252 120.200 -0.159 0.000 2.191 85 E HA 0.621 4.971 4.350 0.001 0.000 0.274 85 E C -0.890 175.639 176.600 -0.120 0.000 0.948 85 E CA -0.478 55.843 56.400 -0.131 0.000 0.802 85 E CB 2.446 32.115 29.700 -0.052 0.000 1.137 85 E HN 0.422 nan 8.360 nan 0.000 0.397 86 E N 0.898 121.009 120.200 -0.147 0.000 2.343 86 E HA 0.203 4.554 4.350 0.001 0.000 0.270 86 E C -1.300 175.399 176.600 0.165 0.000 0.895 86 E CA -0.642 55.724 56.400 -0.057 0.000 0.767 86 E CB 2.012 31.584 29.700 -0.214 0.000 1.248 86 E HN 0.302 nan 8.360 nan 0.000 0.440 87 E N 1.493 121.827 120.200 0.224 0.000 2.194 87 E HA 0.121 4.471 4.350 0.001 0.000 0.284 87 E C -0.995 175.787 176.600 0.304 0.000 1.035 87 E CA -0.381 56.170 56.400 0.251 0.000 0.836 87 E CB 0.532 30.312 29.700 0.133 0.000 1.070 87 E HN 0.286 nan 8.360 nan 0.000 0.401 88 F N 3.594 123.624 119.950 0.133 0.000 2.571 88 F HA 0.042 4.570 4.527 0.001 0.000 0.384 88 F C 0.398 176.106 175.800 -0.153 0.000 1.058 88 F CA 0.342 58.276 58.000 -0.110 0.000 1.200 88 F CB 0.273 39.032 39.000 -0.401 0.000 1.077 88 F HN 0.368 nan 8.300 nan 0.000 0.558 89 R N 4.700 124.630 120.500 -0.951 0.000 2.816 89 R HA 0.368 4.709 4.340 0.001 0.000 0.382 89 R C 0.271 175.994 176.300 -0.962 0.000 1.140 89 R CA 0.026 55.680 56.100 -0.744 0.000 1.050 89 R CB 0.329 30.420 30.300 -0.349 0.000 1.396 89 R HN 1.044 nan 8.270 nan 0.000 0.583 90 G N 0.399 108.086 108.800 -1.855 0.000 2.828 90 G HA2 -0.289 3.671 3.960 0.001 0.000 0.463 90 G HA3 -0.289 3.671 3.960 0.001 0.000 0.463 90 G C -0.514 173.776 174.900 -1.017 0.000 1.394 90 G CA -0.876 43.483 45.100 -1.235 0.000 0.862 90 G HN 0.174 nan 8.290 nan 0.000 0.540 91 F N -0.034 119.782 119.950 -0.222 0.000 2.379 91 F HA 0.577 5.105 4.527 0.001 0.000 0.332 91 F C 1.742 177.463 175.800 -0.132 0.000 1.096 91 F CA -0.400 57.423 58.000 -0.294 0.000 1.105 91 F CB 1.643 40.415 39.000 -0.381 0.000 1.189 91 F HN 0.532 nan 8.300 nan 0.000 0.515 92 Q N 0.295 120.086 119.800 -0.016 0.000 2.250 92 Q HA 0.074 4.414 4.340 0.001 0.000 0.200 92 Q C 0.182 176.249 176.000 0.112 0.000 0.941 92 Q CA 0.578 56.403 55.803 0.037 0.000 0.872 92 Q CB 0.228 28.949 28.738 -0.028 0.000 0.965 92 Q HN 0.513 nan 8.270 nan 0.000 0.480 93 N N 0.021 118.761 118.700 0.068 0.000 2.502 93 N HA 0.079 4.820 4.740 0.001 0.000 0.280 93 N C 0.099 175.652 175.510 0.072 0.000 1.223 93 N CA -0.080 53.019 53.050 0.081 0.000 0.966 93 N CB 0.890 39.389 38.487 0.020 0.000 1.203 93 N HN 0.082 nan 8.380 nan 0.000 0.565 94 E N 0.110 120.380 120.200 0.116 0.000 2.427 94 E HA -0.000 4.350 4.350 0.001 0.000 0.196 94 E C 1.426 177.933 176.600 -0.155 0.000 1.028 94 E CA 0.372 56.774 56.400 0.002 0.000 0.864 94 E CB 0.494 30.288 29.700 0.156 0.000 0.813 94 E HN 0.353 nan 8.360 nan 0.000 0.514 95 R N 1.250 121.699 120.500 -0.085 0.000 2.080 95 R HA -0.071 4.270 4.340 0.001 0.000 0.222 95 R C 1.849 178.076 176.300 -0.121 0.000 1.107 95 R CA 0.878 56.943 56.100 -0.058 0.000 0.980 95 R CB 0.198 30.506 30.300 0.013 0.000 0.879 95 R HN 0.169 nan 8.270 nan 0.000 0.439 96 E N 0.013 120.100 120.200 -0.189 0.000 2.118 96 E HA -0.260 4.090 4.350 0.001 0.000 0.195 96 E C 2.116 178.419 176.600 -0.496 0.000 0.992 96 E CA 1.229 57.473 56.400 -0.259 0.000 0.804 96 E CB -0.340 29.097 29.700 -0.438 0.000 0.741 96 E HN 0.360 nan 8.360 nan 0.000 0.458 97 C N 1.129 119.871 119.300 -0.929 0.000 2.508 97 C HA -0.100 4.360 4.460 0.001 0.000 0.280 97 C C 2.869 177.562 174.990 -0.494 0.000 1.262 97 C CA 0.978 59.151 59.018 -1.407 0.000 1.706 97 C CB -0.749 26.065 27.740 -1.543 0.000 2.078 97 C HN 0.446 nan 8.230 nan 0.000 0.480 98 Q N 0.220 119.836 119.800 -0.306 0.000 2.096 98 Q HA -0.287 4.053 4.340 0.001 0.000 0.208 98 Q C 2.050 178.052 176.000 0.003 0.000 0.993 98 Q CA 2.427 58.179 55.803 -0.084 0.000 0.862 98 Q CB -0.176 28.529 28.738 -0.055 0.000 0.915 98 Q HN 0.736 nan 8.270 nan 0.000 0.416 99 E N -0.133 120.081 120.200 0.024 0.000 2.038 99 E HA -0.226 4.125 4.350 0.001 0.000 0.195 99 E C 1.970 178.650 176.600 0.134 0.000 1.000 99 E CA 1.262 57.725 56.400 0.106 0.000 0.803 99 E CB -0.137 29.687 29.700 0.206 0.000 0.750 99 E HN 0.214 nan 8.360 nan 0.000 0.448 100 L N 0.163 121.535 121.223 0.249 0.000 2.046 100 L HA -0.154 4.186 4.340 0.001 0.000 0.208 100 L C 2.041 179.175 176.870 0.441 0.000 1.077 100 L CA 1.514 56.603 54.840 0.417 0.000 0.747 100 L CB -0.529 41.895 42.059 0.609 0.000 0.896 100 L HN 0.107 nan 8.230 nan 0.000 0.432 101 F N 0.444 120.412 119.950 0.030 0.000 2.075 101 F HA -0.204 4.324 4.527 0.001 0.000 0.297 101 F C 2.625 178.270 175.800 -0.259 0.000 1.113 101 F CA 1.675 59.447 58.000 -0.379 0.000 1.218 101 F CB -0.444 38.191 39.000 -0.609 0.000 0.984 101 F HN 0.019 nan 8.300 nan 0.000 0.472 102 R N 0.117 120.496 120.500 -0.202 0.000 2.083 102 R HA -0.193 4.147 4.340 0.001 0.000 0.237 102 R C 1.925 178.031 176.300 -0.323 0.000 1.137 102 R CA 1.740 57.663 56.100 -0.295 0.000 0.951 102 R CB -0.747 29.459 30.300 -0.157 0.000 0.851 102 R HN 0.268 nan 8.270 nan 0.000 0.434 103 D N -0.004 120.203 120.400 -0.322 0.000 2.149 103 D HA -0.158 4.482 4.640 0.001 0.000 0.198 103 D C 1.713 177.779 176.300 -0.391 0.000 0.990 103 D CA 1.210 54.830 54.000 -0.633 0.000 0.839 103 D CB -0.212 40.111 40.800 -0.795 0.000 0.948 103 D HN 0.134 nan 8.370 nan 0.000 0.460 104 F N 0.758 120.556 119.950 -0.253 0.000 2.134 104 F HA -0.096 4.431 4.527 0.001 0.000 0.299 104 F C 2.435 178.005 175.800 -0.383 0.000 1.097 104 F CA 0.590 58.436 58.000 -0.257 0.000 1.264 104 F CB -0.310 38.570 39.000 -0.201 0.000 1.001 104 F HN -0.077 nan 8.300 nan 0.000 0.479 105 L N -0.364 120.613 121.223 -0.409 0.000 2.013 105 L HA -0.293 4.047 4.340 0.001 0.000 0.212 105 L C 2.482 179.203 176.870 -0.250 0.000 1.073 105 L CA 2.100 56.648 54.840 -0.486 0.000 0.753 105 L CB -1.481 40.175 42.059 -0.673 0.000 0.890 105 L HN 0.272 nan 8.230 nan 0.000 0.432 106 T N -2.144 112.304 114.554 -0.177 0.000 2.777 106 T HA -0.209 4.142 4.350 0.001 0.000 0.266 106 T C 1.862 176.592 174.700 0.051 0.000 1.040 106 T CA 1.022 63.109 62.100 -0.021 0.000 1.141 106 T CB -0.177 68.738 68.868 0.079 0.000 0.868 106 T HN 0.217 nan 8.240 nan 0.000 0.444 107 K N 1.075 121.504 120.400 0.050 0.000 2.026 107 K HA -0.132 4.188 4.320 0.001 0.000 0.208 107 K C 2.468 179.067 176.600 -0.002 0.000 1.048 107 K CA 1.850 58.164 56.287 0.044 0.000 0.929 107 K CB -0.381 32.091 32.500 -0.046 0.000 0.713 107 K HN 0.483 nan 8.250 nan 0.000 0.439 108 T N -0.314 114.226 114.554 -0.025 0.000 2.904 108 T HA -0.011 4.340 4.350 0.001 0.000 0.267 108 T C 0.630 175.340 174.700 0.016 0.000 1.059 108 T CA 1.151 63.258 62.100 0.012 0.000 1.137 108 T CB -0.066 68.811 68.868 0.016 0.000 0.879 108 T HN 0.277 nan 8.240 nan 0.000 0.467 109 K N -0.906 119.487 120.400 -0.011 0.000 3.533 109 K HA -0.186 4.135 4.320 0.001 0.000 0.289 109 K C 1.318 177.936 176.600 0.030 0.000 1.317 109 K CA 0.504 56.800 56.287 0.015 0.000 0.967 109 K CB -2.221 30.302 32.500 0.039 0.000 1.323 109 K HN 0.328 nan 8.250 nan 0.000 0.477 110 V N -0.494 119.421 119.914 0.000 0.000 2.250 110 V HA -0.390 3.731 4.120 0.001 0.000 0.250 110 V C 2.289 178.461 176.094 0.130 0.000 1.060 110 V CA 2.335 64.667 62.300 0.053 0.000 1.030 110 V CB -0.607 31.204 31.823 -0.021 0.000 0.643 110 V HN 0.339 nan 8.190 nan 0.000 0.445 111 K N 0.554 120.988 120.400 0.056 0.000 1.978 111 K HA -0.232 4.089 4.320 0.001 0.000 0.214 111 K C 1.928 178.638 176.600 0.184 0.000 1.049 111 K CA 2.207 58.582 56.287 0.148 0.000 0.939 111 K CB -0.582 31.934 32.500 0.028 0.000 0.721 111 K HN 0.547 nan 8.250 nan 0.000 0.441 112 D N 0.412 120.871 120.400 0.098 0.000 2.160 112 D HA -0.248 4.392 4.640 0.001 0.000 0.189 112 D C 1.757 178.121 176.300 0.106 0.000 1.003 112 D CA 1.492 55.540 54.000 0.080 0.000 0.846 112 D CB -0.259 40.571 40.800 0.051 0.000 0.949 112 D HN 0.266 nan 8.370 nan 0.000 0.446 113 K N -0.556 119.919 120.400 0.126 0.000 2.020 113 K HA -0.194 4.127 4.320 0.001 0.000 0.212 113 K C 2.270 178.980 176.600 0.183 0.000 1.050 113 K CA 1.165 57.536 56.287 0.140 0.000 0.929 113 K CB -0.429 32.158 32.500 0.145 0.000 0.714 113 K HN 0.115 nan 8.250 nan 0.000 0.443 114 F N 1.702 121.733 119.950 0.134 0.000 2.126 114 F HA -0.174 4.353 4.527 0.001 0.000 0.299 114 F C 1.825 177.730 175.800 0.175 0.000 1.096 114 F CA 1.438 59.535 58.000 0.160 0.000 1.255 114 F CB -0.180 38.900 39.000 0.133 0.000 0.997 114 F HN 0.007 nan 8.300 nan 0.000 0.479 115 I N 0.059 120.710 120.570 0.135 0.000 2.423 115 I HA -0.307 3.864 4.170 0.001 0.000 0.254 115 I C 2.453 178.573 176.117 0.005 0.000 1.151 115 I CA 1.670 62.987 61.300 0.029 0.000 1.421 115 I CB -0.615 37.434 38.000 0.081 0.000 1.079 115 I HN 0.394 nan 8.210 nan 0.000 0.431 116 S N -0.723 114.997 115.700 0.034 0.000 2.499 116 S HA -0.040 4.431 4.470 0.001 0.000 0.225 116 S C 1.467 176.128 174.600 0.101 0.000 1.050 116 S CA 0.017 58.264 58.200 0.079 0.000 0.928 116 S CB -0.065 63.163 63.200 0.047 0.000 0.803 116 S HN 0.306 nan 8.310 nan 0.000 0.506 117 D N 1.472 121.912 120.400 0.067 0.000 2.097 117 D HA -0.055 4.586 4.640 0.001 0.000 0.197 117 D C 1.292 177.624 176.300 0.053 0.000 0.984 117 D CA 0.971 55.019 54.000 0.080 0.000 0.826 117 D CB -0.554 40.317 40.800 0.118 0.000 0.973 117 D HN 0.535 nan 8.370 nan 0.000 0.460 118 F N 0.297 120.108 119.950 -0.231 0.000 2.804 118 F HA 0.020 4.548 4.527 0.001 0.000 0.303 118 F C 1.646 177.396 175.800 -0.084 0.000 1.154 118 F CA -0.295 57.547 58.000 -0.264 0.000 1.401 118 F CB -0.009 38.530 39.000 -0.768 0.000 1.106 118 F HN -0.135 nan 8.300 nan 0.000 0.568 119 Y N 0.538 120.768 120.300 -0.117 0.000 2.205 119 Y HA 0.071 4.621 4.550 0.001 0.000 0.292 119 Y C 2.157 178.029 175.900 -0.047 0.000 1.119 119 Y CA 1.457 59.496 58.100 -0.103 0.000 1.117 119 Y CB -0.292 38.128 38.460 -0.067 0.000 1.037 119 Y HN -0.196 nan 8.280 nan 0.000 0.510 120 K N 0.396 120.843 120.400 0.078 0.000 2.365 120 K HA -0.084 4.237 4.320 0.001 0.000 0.199 120 K C 1.651 178.203 176.600 -0.079 0.000 1.045 120 K CA 0.941 57.243 56.287 0.025 0.000 0.962 120 K CB 0.026 32.612 32.500 0.143 0.000 0.759 120 K HN 0.362 nan 8.250 nan 0.000 0.469 121 K N -0.732 119.598 120.400 -0.115 0.000 2.314 121 K HA -0.010 4.310 4.320 0.001 0.000 0.198 121 K C 1.456 177.909 176.600 -0.245 0.000 1.045 121 K CA 0.547 56.746 56.287 -0.148 0.000 0.988 121 K CB 0.151 32.579 32.500 -0.119 0.000 0.783 121 K HN 0.054 nan 8.250 nan 0.000 0.484 122 F N 1.176 120.840 119.950 -0.477 0.000 2.530 122 F HA 0.072 4.599 4.527 0.001 0.000 0.292 122 F C 2.339 177.899 175.800 -0.400 0.000 1.109 122 F CA 0.239 57.930 58.000 -0.514 0.000 1.450 122 F CB 0.343 38.934 39.000 -0.683 0.000 1.114 122 F HN -0.173 nan 8.300 nan 0.000 0.560 123 R N 0.636 121.018 120.500 -0.197 0.000 2.127 123 R HA -0.195 4.145 4.340 0.001 0.000 0.238 123 R C 1.107 177.341 176.300 -0.110 0.000 1.134 123 R CA 2.316 58.300 56.100 -0.192 0.000 0.975 123 R CB -0.371 29.797 30.300 -0.220 0.000 0.865 123 R HN 0.317 nan 8.270 nan 0.000 0.447 124 D N -0.573 119.749 120.400 -0.129 0.000 2.234 124 D HA -0.076 4.564 4.640 0.001 0.000 0.205 124 D C 1.585 177.809 176.300 -0.126 0.000 0.962 124 D CA 0.915 54.845 54.000 -0.117 0.000 0.855 124 D CB 0.178 40.910 40.800 -0.113 0.000 0.951 124 D HN 0.155 nan 8.370 nan 0.000 0.500 125 K N 0.281 120.575 120.400 -0.177 0.000 2.031 125 K HA -0.007 4.314 4.320 0.001 0.000 0.205 125 K C 1.934 178.470 176.600 -0.107 0.000 1.049 125 K CA 0.690 56.865 56.287 -0.186 0.000 0.939 125 K CB -0.060 32.235 32.500 -0.341 0.000 0.717 125 K HN 0.115 nan 8.250 nan 0.000 0.438 126 I N 1.072 121.611 120.570 -0.052 0.000 2.194 126 I HA -0.239 3.931 4.170 0.001 0.000 0.246 126 I C 0.634 176.732 176.117 -0.031 0.000 1.093 126 I CA 0.899 62.193 61.300 -0.010 0.000 1.355 126 I CB -0.922 37.099 38.000 0.035 0.000 1.046 126 I HN 0.031 nan 8.210 nan 0.000 0.413 127 T N 3.867 118.391 114.554 -0.049 0.000 2.761 127 T HA 0.194 4.544 4.350 0.001 0.000 0.262 127 T C 0.354 175.025 174.700 -0.049 0.000 0.968 127 T CA -0.159 61.908 62.100 -0.055 0.000 1.235 127 T CB -0.431 68.395 68.868 -0.069 0.000 0.925 127 T HN 0.013 nan 8.240 nan 0.000 0.545 128 V N 2.891 122.782 119.914 -0.039 0.000 3.613 128 V HA 0.255 4.376 4.120 0.001 0.000 0.283 128 V C 0.885 176.959 176.094 -0.033 0.000 1.052 128 V CA -1.285 60.994 62.300 -0.034 0.000 0.937 128 V CB 0.409 32.216 31.823 -0.026 0.000 1.241 128 V HN 0.662 nan 8.190 nan 0.000 0.429 129 Q N 0.272 120.055 119.800 -0.029 0.000 2.584 129 Q HA 0.294 4.635 4.340 0.001 0.000 0.235 129 Q C 1.572 177.557 176.000 -0.025 0.000 1.079 129 Q CA 0.612 56.399 55.803 -0.027 0.000 0.977 129 Q CB -0.316 28.408 28.738 -0.024 0.000 1.293 129 Q HN 0.979 nan 8.270 nan 0.000 0.553 130 G N 1.205 109.991 108.800 -0.023 0.000 3.572 130 G HA2 -0.388 3.572 3.960 0.001 0.000 0.316 130 G HA3 -0.388 3.572 3.960 0.001 0.000 0.316 130 G C 0.042 174.930 174.900 -0.021 0.000 1.312 130 G CA 1.572 46.660 45.100 -0.021 0.000 1.364 130 G HN 0.502 nan 8.290 nan 0.000 1.234 131 K N 1.085 121.475 120.400 -0.018 0.000 2.295 131 K HA 0.566 4.887 4.320 0.001 0.000 0.239 131 K C 0.110 176.702 176.600 -0.014 0.000 0.991 131 K CA -0.254 56.023 56.287 -0.016 0.000 0.845 131 K CB 2.016 34.509 32.500 -0.012 0.000 1.197 131 K HN 0.761 nan 8.250 nan 0.000 0.441 132 N N -0.736 117.958 118.700 -0.010 0.000 3.199 132 N HA 0.030 4.770 4.740 0.001 0.000 0.347 132 N C -0.722 174.789 175.510 0.003 0.000 1.298 132 N CA -0.672 52.376 53.050 -0.004 0.000 0.837 132 N CB 0.505 38.988 38.487 -0.006 0.000 1.934 132 N HN 0.469 nan 8.380 nan 0.000 0.373 133 R N 0.344 120.851 120.500 0.011 0.000 1.832 133 R HA 0.537 4.877 4.340 0.001 0.000 0.134 133 R C -0.159 176.152 176.300 0.019 0.000 0.929 133 R CA -0.535 55.580 56.100 0.025 0.000 1.715 133 R CB 0.077 30.401 30.300 0.041 0.000 1.392 133 R HN 0.504 nan 8.270 nan 0.000 0.655 134 K N 0.813 121.242 120.400 0.048 0.000 3.088 134 K HA 0.335 4.655 4.320 0.001 0.000 0.193 134 K C -1.206 175.494 176.600 0.168 0.000 1.176 134 K CA -0.069 56.252 56.287 0.056 0.000 0.907 134 K CB 0.756 33.294 32.500 0.062 0.000 1.139 134 K HN 0.366 nan 8.250 nan 0.000 0.597 135 I N 1.675 122.330 120.570 0.141 0.000 2.428 135 I HA 0.277 4.448 4.170 0.001 0.000 0.289 135 I C 0.320 176.617 176.117 0.301 0.000 1.019 135 I CA -0.402 61.006 61.300 0.181 0.000 1.351 135 I CB 1.542 39.602 38.000 0.099 0.000 1.412 135 I HN 0.346 nan 8.210 nan 0.000 0.513 136 A N 6.945 129.952 122.820 0.311 0.000 2.317 136 A HA 0.643 4.964 4.320 0.001 0.000 0.327 136 A C -0.925 176.749 177.584 0.150 0.000 1.178 136 A CA -0.463 51.757 52.037 0.305 0.000 0.817 136 A CB 1.031 20.092 19.000 0.101 0.000 1.189 136 A HN 0.543 nan 8.150 nan 0.000 0.489 137 L N 3.851 125.131 121.223 0.095 0.000 2.321 137 L HA 0.478 4.818 4.340 0.001 0.000 0.272 137 L C -0.994 175.890 176.870 0.023 0.000 1.050 137 L CA -0.354 54.484 54.840 -0.003 0.000 0.893 137 L CB 0.215 42.179 42.059 -0.159 0.000 1.272 137 L HN 0.559 nan 8.230 nan 0.000 0.435 138 I N 7.490 128.119 120.570 0.097 0.000 2.308 138 I HA 0.278 4.449 4.170 0.001 0.000 0.293 138 I C -1.854 174.238 176.117 -0.041 0.000 1.078 138 I CA -1.565 59.777 61.300 0.071 0.000 1.292 138 I CB 0.483 38.480 38.000 -0.004 0.000 1.423 138 I HN 0.436 nan 8.210 nan 0.000 0.493 139 P HA 0.156 nan 4.420 nan 0.000 0.275 139 P C -0.954 176.208 177.300 -0.230 0.000 1.227 139 P CA -0.353 62.492 63.100 -0.424 0.000 0.781 139 P CB 0.602 32.152 31.700 -0.250 0.000 0.906 140 E N 1.284 121.316 120.200 -0.279 0.000 2.220 140 E HA 0.349 4.699 4.350 0.001 0.000 0.256 140 E C -0.872 175.652 176.600 -0.126 0.000 0.881 140 E CA -0.934 55.381 56.400 -0.142 0.000 0.766 140 E CB 1.597 31.228 29.700 -0.115 0.000 1.187 140 E HN 0.108 nan 8.360 nan 0.000 0.419 141 V N 3.796 123.676 119.914 -0.058 0.000 2.432 141 V HA 0.250 4.370 4.120 0.001 0.000 0.275 141 V C -0.021 176.042 176.094 -0.052 0.000 1.043 141 V CA -0.745 61.519 62.300 -0.060 0.000 0.925 141 V CB 0.710 32.517 31.823 -0.026 0.000 0.985 141 V HN 0.621 nan 8.190 nan 0.000 0.466 142 N N 4.093 122.747 118.700 -0.076 0.000 2.335 142 N HA 0.712 5.453 4.740 0.001 0.000 0.304 142 N C -0.945 174.516 175.510 -0.081 0.000 1.135 142 N CA -0.794 52.210 53.050 -0.076 0.000 0.817 142 N CB 2.588 41.019 38.487 -0.094 0.000 1.294 142 N HN 0.728 nan 8.380 nan 0.000 0.497 143 E N 0.257 120.427 120.200 -0.051 0.000 2.308 143 E HA 0.530 4.881 4.350 0.001 0.000 0.275 143 E C -1.107 175.497 176.600 0.006 0.000 0.890 143 E CA -0.696 55.703 56.400 -0.002 0.000 0.754 143 E CB 2.410 32.183 29.700 0.123 0.000 1.207 143 E HN 0.267 nan 8.360 nan 0.000 0.426 144 K N 0.887 121.302 120.400 0.025 0.000 2.482 144 K HA 0.674 4.994 4.320 0.001 0.000 0.257 144 K C -1.254 175.420 176.600 0.125 0.000 0.969 144 K CA -1.169 55.164 56.287 0.077 0.000 0.842 144 K CB 2.690 35.247 32.500 0.096 0.000 1.359 144 K HN 0.251 nan 8.250 nan 0.000 0.441 145 V N 3.922 123.883 119.914 0.080 0.000 2.313 145 V HA 0.361 4.481 4.120 0.001 0.000 0.278 145 V C -0.366 175.793 176.094 0.109 0.000 1.017 145 V CA -0.683 61.651 62.300 0.058 0.000 0.823 145 V CB 0.708 32.487 31.823 -0.074 0.000 1.010 145 V HN 0.528 nan 8.190 nan 0.000 0.443 146 L N 3.691 124.997 121.223 0.139 0.000 2.331 146 L HA 0.669 5.009 4.340 0.001 0.000 0.268 146 L C -0.066 176.900 176.870 0.160 0.000 1.015 146 L CA -0.959 53.954 54.840 0.122 0.000 0.807 146 L CB 1.696 43.786 42.059 0.052 0.000 1.293 146 L HN 0.482 nan 8.230 nan 0.000 0.451 147 K N 0.773 121.229 120.400 0.092 0.000 2.206 147 K HA 0.371 4.691 4.320 0.001 0.000 0.264 147 K C -0.305 176.246 176.600 -0.083 0.000 0.967 147 K CA -0.425 55.848 56.287 -0.023 0.000 0.844 147 K CB 1.634 34.086 32.500 -0.080 0.000 1.099 147 K HN 0.650 nan 8.250 nan 0.000 0.441 148 S N 2.229 117.805 115.700 -0.208 0.000 2.601 148 S HA 0.031 4.502 4.470 0.001 0.000 0.271 148 S C 1.086 175.482 174.600 -0.340 0.000 1.305 148 S CA -0.270 57.763 58.200 -0.278 0.000 1.022 148 S CB 1.482 64.359 63.200 -0.538 0.000 0.940 148 S HN 0.915 nan 8.310 nan 0.000 0.525 149 E N 1.337 121.367 120.200 -0.284 0.000 2.130 149 E HA -0.235 4.115 4.350 0.001 0.000 0.196 149 E C 1.352 177.807 176.600 -0.241 0.000 0.998 149 E CA 1.694 57.961 56.400 -0.221 0.000 0.806 149 E CB -0.241 29.348 29.700 -0.185 0.000 0.738 149 E HN 0.898 nan 8.360 nan 0.000 0.459 150 E N -0.935 119.068 120.200 -0.329 0.000 2.510 150 E HA -0.041 4.309 4.350 0.001 0.000 0.202 150 E C 0.907 177.366 176.600 -0.235 0.000 1.072 150 E CA 0.412 56.673 56.400 -0.232 0.000 0.883 150 E CB -0.057 29.577 29.700 -0.111 0.000 0.818 150 E HN 0.500 nan 8.360 nan 0.000 0.548 151 G N 0.669 109.257 108.800 -0.353 0.000 2.160 151 G HA2 -0.297 3.664 3.960 0.001 0.000 0.244 151 G HA3 -0.297 3.664 3.960 0.001 0.000 0.244 151 G C -0.229 174.500 174.900 -0.285 0.000 1.022 151 G CA 0.518 45.441 45.100 -0.294 0.000 0.741 151 G HN 0.388 nan 8.290 nan 0.000 0.508 152 Y N -1.878 118.314 120.300 -0.179 0.000 2.534 152 Y HA 0.826 5.376 4.550 0.001 0.000 0.329 152 Y C 0.421 176.194 175.900 -0.212 0.000 1.154 152 Y CA -2.718 55.264 58.100 -0.197 0.000 1.192 152 Y CB 0.800 39.244 38.460 -0.027 0.000 1.275 152 Y HN -0.016 nan 8.280 nan 0.000 0.491 153 F N 1.062 121.153 119.950 0.236 0.000 2.370 153 F HA 0.586 5.114 4.527 0.001 0.000 0.324 153 F C -0.211 175.697 175.800 0.180 0.000 1.116 153 F CA -0.644 57.437 58.000 0.134 0.000 1.123 153 F CB 0.886 39.938 39.000 0.086 0.000 1.238 153 F HN 0.220 nan 8.300 nan 0.000 0.536 154 L N 3.029 124.446 121.223 0.323 0.000 2.408 154 L HA 0.395 4.736 4.340 0.001 0.000 0.268 154 L C -1.170 175.795 176.870 0.157 0.000 0.986 154 L CA -1.127 53.847 54.840 0.224 0.000 0.820 154 L CB 1.987 44.133 42.059 0.146 0.000 1.303 154 L HN 0.379 nan 8.230 nan 0.000 0.411 155 L N 3.274 124.590 121.223 0.154 0.000 2.315 155 L HA 0.295 4.635 4.340 0.001 0.000 0.283 155 L C -0.357 176.675 176.870 0.270 0.000 1.089 155 L CA 0.232 55.164 54.840 0.153 0.000 0.833 155 L CB 0.065 42.199 42.059 0.125 0.000 1.170 155 L HN 0.428 nan 8.230 nan 0.000 0.442 156 H N 5.683 124.813 119.070 0.100 0.000 2.581 156 H HA 0.564 5.121 4.556 0.001 0.000 0.308 156 H C -1.538 173.847 175.328 0.095 0.000 1.040 156 H CA -0.768 55.325 56.048 0.076 0.000 1.231 156 H CB 1.111 30.889 29.762 0.026 0.000 1.396 156 H HN 0.627 nan 8.280 nan 0.000 0.467 157 L N 5.801 127.108 121.223 0.140 0.000 2.457 157 L HA 0.459 4.799 4.340 0.001 0.000 0.266 157 L C -1.668 175.187 176.870 -0.024 0.000 0.979 157 L CA -0.260 54.577 54.840 -0.004 0.000 0.857 157 L CB 1.332 43.405 42.059 0.023 0.000 1.213 157 L HN 0.619 nan 8.230 nan 0.000 0.418 158 D N 3.269 123.595 120.400 -0.123 0.000 2.592 158 D HA 0.676 5.317 4.640 0.001 0.000 0.263 158 D C -1.450 174.800 176.300 -0.085 0.000 1.132 158 D CA -0.268 53.701 54.000 -0.051 0.000 0.996 158 D CB 2.325 43.106 40.800 -0.030 0.000 1.442 158 D HN 0.661 nan 8.370 nan 0.000 0.486 159 L N -1.634 119.560 121.223 -0.049 0.000 2.341 159 L HA 0.817 5.157 4.340 0.001 0.000 0.254 159 L C -1.112 175.724 176.870 -0.057 0.000 1.040 159 L CA -0.851 53.932 54.840 -0.094 0.000 0.837 159 L CB 2.429 44.406 42.059 -0.137 0.000 1.425 159 L HN 0.591 nan 8.230 nan 0.000 0.414 160 K N -0.234 120.073 120.400 -0.154 0.000 2.580 160 K HA 0.628 4.948 4.320 0.001 0.000 0.288 160 K C -1.986 174.450 176.600 -0.274 0.000 1.041 160 K CA -0.843 55.424 56.287 -0.034 0.000 0.855 160 K CB 1.543 34.088 32.500 0.076 0.000 1.543 160 K HN 0.467 nan 8.250 nan 0.000 0.388 161 F N -0.086 119.874 119.950 0.016 0.000 2.593 161 F HA 0.585 5.113 4.527 0.001 0.000 0.320 161 F C -0.210 175.577 175.800 -0.021 0.000 1.060 161 F CA -0.846 57.145 58.000 -0.016 0.000 0.940 161 F CB 2.430 41.409 39.000 -0.034 0.000 1.268 161 F HN 0.357 nan 8.300 nan 0.000 0.475 162 R N 1.763 122.352 120.500 0.148 0.000 2.409 162 R HA 0.643 4.984 4.340 0.001 0.000 0.313 162 R C -1.543 174.799 176.300 0.070 0.000 0.953 162 R CA -0.739 55.403 56.100 0.070 0.000 0.849 162 R CB 1.077 31.380 30.300 0.005 0.000 1.171 162 R HN 0.501 nan 8.270 nan 0.000 0.458 163 I N 2.743 123.346 120.570 0.056 0.000 2.472 163 I HA 0.328 4.498 4.170 0.001 0.000 0.290 163 I C -0.112 176.018 176.117 0.022 0.000 1.016 163 I CA 0.057 61.383 61.300 0.042 0.000 1.348 163 I CB 1.326 39.347 38.000 0.035 0.000 1.417 163 I HN 0.523 nan 8.210 nan 0.000 0.521 164 Q N 6.238 126.055 119.800 0.028 0.000 2.598 164 Q HA 0.343 4.683 4.340 0.001 0.000 0.237 164 Q C -2.864 173.153 176.000 0.028 0.000 0.914 164 Q CA -1.373 54.434 55.803 0.007 0.000 1.065 164 Q CB 2.060 30.779 28.738 -0.032 0.000 1.586 164 Q HN 0.304 nan 8.270 nan 0.000 0.484 165 P HA 0.083 nan 4.420 nan 0.000 0.269 165 P C -0.265 177.093 177.300 0.097 0.000 1.215 165 P CA -0.017 63.141 63.100 0.096 0.000 0.780 165 P CB 0.327 32.073 31.700 0.077 0.000 0.898 166 F N 0.500 120.463 119.950 0.021 0.000 2.772 166 F HA -0.008 4.519 4.527 0.001 0.000 0.302 166 F C 0.752 176.556 175.800 0.007 0.000 1.225 166 F CA 0.976 58.987 58.000 0.019 0.000 1.429 166 F CB -0.142 38.876 39.000 0.029 0.000 1.104 166 F HN 0.223 nan 8.300 nan 0.000 0.550 167 E N -0.452 119.816 120.200 0.112 0.000 2.220 167 E HA 0.145 4.495 4.350 0.001 0.000 0.256 167 E C -0.006 176.609 176.600 0.024 0.000 0.881 167 E CA -0.544 55.901 56.400 0.076 0.000 0.766 167 E CB 1.227 30.979 29.700 0.086 0.000 1.187 167 E HN -0.183 nan 8.360 nan 0.000 0.419 168 T N 2.429 116.987 114.554 0.006 0.000 2.830 168 T HA -0.114 4.236 4.350 0.001 0.000 0.282 168 T C 1.234 175.937 174.700 0.004 0.000 1.024 168 T CA 0.295 62.388 62.100 -0.013 0.000 1.144 168 T CB 0.128 68.986 68.868 -0.018 0.000 1.035 168 T HN 0.408 nan 8.240 nan 0.000 0.507 169 L N 4.113 125.332 121.223 -0.007 0.000 2.261 169 L HA -0.089 4.251 4.340 0.001 0.000 0.216 169 L C 2.346 179.235 176.870 0.032 0.000 1.114 169 L CA 1.727 56.569 54.840 0.004 0.000 0.777 169 L CB -0.488 41.564 42.059 -0.011 0.000 0.910 169 L HN 0.732 nan 8.230 nan 0.000 0.440 170 Q N -1.185 118.639 119.800 0.040 0.000 2.096 170 Q HA -0.144 4.197 4.340 0.001 0.000 0.197 170 Q C 1.892 177.944 176.000 0.086 0.000 0.964 170 Q CA 1.979 57.836 55.803 0.090 0.000 0.838 170 Q CB 0.005 28.773 28.738 0.050 0.000 0.906 170 Q HN 0.671 nan 8.270 nan 0.000 0.444 171 T N 0.933 115.516 114.554 0.048 0.000 2.803 171 T HA -0.151 4.200 4.350 0.001 0.000 0.269 171 T C 1.808 176.546 174.700 0.064 0.000 1.052 171 T CA 0.897 63.025 62.100 0.047 0.000 1.136 171 T CB -0.216 68.675 68.868 0.037 0.000 0.864 171 T HN 0.172 nan 8.240 nan 0.000 0.467 172 L N -0.112 121.149 121.223 0.063 0.000 2.093 172 L HA 0.088 4.428 4.340 0.001 0.000 0.208 172 L C 2.485 179.400 176.870 0.075 0.000 1.085 172 L CA 0.927 55.807 54.840 0.068 0.000 0.755 172 L CB -0.424 41.667 42.059 0.053 0.000 0.904 172 L HN 0.208 nan 8.230 nan 0.000 0.435 173 L N -0.853 120.422 121.223 0.088 0.000 2.141 173 L HA -0.196 4.145 4.340 0.001 0.000 0.209 173 L C 2.456 179.471 176.870 0.242 0.000 1.094 173 L CA 1.192 56.104 54.840 0.120 0.000 0.763 173 L CB -0.220 41.939 42.059 0.168 0.000 0.908 173 L HN 0.274 nan 8.230 nan 0.000 0.437 174 E N -0.590 119.730 120.200 0.201 0.000 2.046 174 E HA -0.168 4.182 4.350 0.001 0.000 0.190 174 E C 2.329 178.987 176.600 0.096 0.000 0.982 174 E CA 0.950 57.434 56.400 0.140 0.000 0.800 174 E CB 0.125 29.856 29.700 0.051 0.000 0.756 174 E HN 0.393 nan 8.360 nan 0.000 0.449 175 R N 0.340 120.890 120.500 0.083 0.000 2.057 175 R HA 0.058 4.399 4.340 0.001 0.000 0.224 175 R C 0.867 177.221 176.300 0.089 0.000 1.136 175 R CA 0.248 56.392 56.100 0.073 0.000 0.968 175 R CB -0.042 30.300 30.300 0.069 0.000 0.863 175 R HN 0.012 nan 8.270 nan 0.000 0.433 176 N N 0.707 119.477 118.700 0.117 0.000 2.424 176 N HA -0.005 4.735 4.740 0.001 0.000 0.257 176 N C -0.365 175.164 175.510 0.031 0.000 1.250 176 N CA 0.329 53.478 53.050 0.165 0.000 0.946 176 N CB 1.032 39.687 38.487 0.279 0.000 1.175 176 N HN 0.028 nan 8.380 nan 0.000 0.477 177 D N -0.619 119.687 120.400 -0.155 0.000 2.469 177 D HA 0.149 4.789 4.640 0.001 0.000 0.213 177 D C -0.511 175.598 176.300 -0.317 0.000 1.135 177 D CA -0.021 53.824 54.000 -0.258 0.000 0.834 177 D CB -0.014 40.602 40.800 -0.308 0.000 1.009 177 D HN 0.370 nan 8.370 nan 0.000 0.507 178 F N 2.136 122.059 119.950 -0.046 0.000 2.613 178 F HA 0.133 4.660 4.527 0.001 0.000 0.341 178 F C 1.065 176.747 175.800 -0.196 0.000 1.288 178 F CA -0.390 57.567 58.000 -0.071 0.000 1.103 178 F CB -0.312 38.689 39.000 0.002 0.000 1.423 178 F HN -0.270 nan 8.300 nan 0.000 0.651 179 N N 5.272 123.923 118.700 -0.081 0.000 2.483 179 N HA 0.081 4.821 4.740 0.001 0.000 0.264 179 N C -2.318 173.061 175.510 -0.217 0.000 1.197 179 N CA -0.837 52.120 53.050 -0.155 0.000 0.927 179 N CB 0.718 39.124 38.487 -0.136 0.000 1.065 179 N HN 0.210 nan 8.380 nan 0.000 0.461 180 P HA 0.260 nan 4.420 nan 0.000 0.287 180 P C -0.899 176.333 177.300 -0.114 0.000 1.294 180 P CA -0.247 62.715 63.100 -0.231 0.000 0.776 180 P CB 0.914 32.507 31.700 -0.178 0.000 0.889 181 K N 3.557 123.916 120.400 -0.069 0.000 2.397 181 K HA 0.373 4.694 4.320 0.001 0.000 0.253 181 K C 0.622 177.238 176.600 0.026 0.000 0.932 181 K CA -0.831 55.452 56.287 -0.006 0.000 0.795 181 K CB 2.528 35.037 32.500 0.016 0.000 1.159 181 K HN 0.411 nan 8.250 nan 0.000 0.424 182 R N 0.089 120.607 120.500 0.029 0.000 3.733 182 R HA -0.200 4.141 4.340 0.001 0.000 0.375 182 R C 0.324 176.641 176.300 0.029 0.000 0.588 182 R CA 1.144 57.265 56.100 0.036 0.000 1.567 182 R CB -1.464 28.864 30.300 0.047 0.000 1.933 182 R HN 0.712 nan 8.270 nan 0.000 0.396 183 I N 3.250 123.837 120.570 0.029 0.000 3.214 183 I HA -0.237 3.933 4.170 0.001 0.000 0.332 183 I C 0.880 177.001 176.117 0.007 0.000 1.225 183 I CA 1.125 62.439 61.300 0.023 0.000 1.453 183 I CB -0.003 38.000 38.000 0.005 0.000 1.321 183 I HN 0.156 nan 8.210 nan 0.000 0.518 184 R N 5.505 126.000 120.500 -0.008 0.000 2.539 184 R HA 0.552 4.892 4.340 0.001 0.000 0.275 184 R C -0.800 175.478 176.300 -0.035 0.000 1.077 184 R CA -0.499 55.582 56.100 -0.033 0.000 1.097 184 R CB 1.190 31.456 30.300 -0.056 0.000 1.018 184 R HN 0.364 nan 8.270 nan 0.000 0.483 185 V N 2.598 122.484 119.914 -0.048 0.000 2.777 185 V HA 0.217 4.338 4.120 0.001 0.000 0.306 185 V C -0.503 175.544 176.094 -0.078 0.000 1.112 185 V CA -0.918 61.353 62.300 -0.048 0.000 0.917 185 V CB 2.162 33.976 31.823 -0.016 0.000 1.018 185 V HN 0.635 nan 8.190 nan 0.000 0.426 186 K N 5.405 125.746 120.400 -0.098 0.000 2.213 186 K HA 0.561 4.881 4.320 0.001 0.000 0.270 186 K C -2.766 173.734 176.600 -0.167 0.000 1.002 186 K CA -1.918 54.295 56.287 -0.124 0.000 0.868 186 K CB 2.114 34.544 32.500 -0.118 0.000 1.093 186 K HN 0.347 nan 8.250 nan 0.000 0.454 187 P HA 0.157 nan 4.420 nan 0.000 0.281 187 P C -0.132 177.008 177.300 -0.268 0.000 1.252 187 P CA -0.325 62.569 63.100 -0.342 0.000 0.778 187 P CB 0.453 31.780 31.700 -0.622 0.000 0.895 188 I N 2.777 123.212 120.570 -0.224 0.000 3.015 188 I HA -0.126 4.044 4.170 0.001 0.000 0.309 188 I C 1.449 177.458 176.117 -0.180 0.000 1.229 188 I CA 1.302 62.493 61.300 -0.181 0.000 1.430 188 I CB -0.868 37.039 38.000 -0.154 0.000 1.347 188 I HN 0.770 nan 8.210 nan 0.000 0.544 189 G N 6.153 114.856 108.800 -0.162 0.000 2.198 189 G HA2 -0.252 3.708 3.960 0.001 0.000 0.257 189 G HA3 -0.252 3.708 3.960 0.001 0.000 0.257 189 G C -0.254 174.536 174.900 -0.183 0.000 1.042 189 G CA -0.071 44.944 45.100 -0.141 0.000 0.791 189 G HN 0.586 nan 8.290 nan 0.000 0.502 190 I N -1.681 118.752 120.570 -0.229 0.000 3.006 190 I HA 0.374 4.544 4.170 0.001 0.000 0.306 190 I C 0.062 176.069 176.117 -0.183 0.000 1.250 190 I CA -1.073 60.044 61.300 -0.305 0.000 0.996 190 I CB 1.908 39.589 38.000 -0.533 0.000 1.261 190 I HN -0.110 nan 8.210 nan 0.000 0.442 191 D N 1.584 121.910 120.400 -0.124 0.000 2.346 191 D HA 0.089 4.730 4.640 0.001 0.000 0.206 191 D C 0.148 176.460 176.300 0.021 0.000 1.001 191 D CA 0.547 54.517 54.000 -0.050 0.000 0.871 191 D CB 0.210 40.990 40.800 -0.033 0.000 0.943 191 D HN 0.193 nan 8.370 nan 0.000 0.518 192 F N 1.088 120.965 119.950 -0.121 0.000 2.545 192 F HA 0.214 4.741 4.527 0.001 0.000 0.348 192 F C 0.094 175.858 175.800 -0.059 0.000 1.163 192 F CA -0.148 57.815 58.000 -0.063 0.000 1.331 192 F CB 0.592 39.555 39.000 -0.061 0.000 1.138 192 F HN -0.351 nan 8.300 nan 0.000 0.602 193 V N 4.480 123.966 119.914 -0.713 0.000 2.638 193 V HA 0.652 4.773 4.120 0.001 0.000 0.306 193 V C 0.203 175.837 176.094 -0.766 0.000 1.052 193 V CA -0.191 61.800 62.300 -0.516 0.000 0.885 193 V CB 1.242 32.891 31.823 -0.290 0.000 0.999 193 V HN 1.031 nan 8.190 nan 0.000 0.424 194 G N 4.083 112.688 108.800 -0.324 0.000 2.971 194 G HA2 0.727 4.688 3.960 0.001 0.000 0.235 194 G HA3 0.727 4.688 3.960 0.001 0.000 0.235 194 G C -0.871 174.012 174.900 -0.028 0.000 1.351 194 G CA -0.769 44.268 45.100 -0.105 0.000 1.039 194 G HN 0.517 nan 8.290 nan 0.000 0.563 195 R N -0.860 119.678 120.500 0.064 0.000 2.621 195 R HA 0.409 4.749 4.340 0.001 0.000 0.284 195 R C -1.196 175.149 176.300 0.075 0.000 0.998 195 R CA -0.682 55.447 56.100 0.050 0.000 0.895 195 R CB 2.548 32.873 30.300 0.042 0.000 1.195 195 R HN 0.294 nan 8.270 nan 0.000 0.450 196 V N 3.754 123.698 119.914 0.050 0.000 2.493 196 V HA -0.066 4.055 4.120 0.001 0.000 0.292 196 V C 0.990 177.112 176.094 0.046 0.000 1.016 196 V CA 1.055 63.382 62.300 0.045 0.000 1.097 196 V CB 1.119 32.947 31.823 0.008 0.000 0.947 196 V HN 0.831 nan 8.190 nan 0.000 0.479 197 Q N 2.979 122.817 119.800 0.062 0.000 2.517 197 Q HA 0.196 4.536 4.340 0.001 0.000 0.188 197 Q C -0.388 175.648 176.000 0.060 0.000 0.736 197 Q CA -0.180 55.660 55.803 0.062 0.000 0.834 197 Q CB 0.770 29.558 28.738 0.083 0.000 1.198 197 Q HN 0.809 nan 8.270 nan 0.000 0.596 198 D N 0.689 121.144 120.400 0.093 0.000 2.233 198 D HA 0.346 4.986 4.640 0.001 0.000 0.240 198 D C -1.436 174.934 176.300 0.115 0.000 1.074 198 D CA -0.135 53.944 54.000 0.132 0.000 0.838 198 D CB 2.170 43.105 40.800 0.225 0.000 1.124 198 D HN -0.051 nan 8.370 nan 0.000 0.475 199 V N 4.388 124.347 119.914 0.074 0.000 2.334 199 V HA 0.553 4.674 4.120 0.001 0.000 0.281 199 V C -0.740 175.414 176.094 0.100 0.000 1.016 199 V CA -0.707 61.572 62.300 -0.036 0.000 0.832 199 V CB -0.216 31.503 31.823 -0.174 0.000 0.999 199 V HN 0.465 nan 8.190 nan 0.000 0.439 200 F N 2.676 122.626 119.950 -0.000 0.000 2.619 200 F HA 0.702 5.229 4.527 0.001 0.000 0.308 200 F C -0.503 175.431 175.800 0.223 0.000 1.097 200 F CA -1.407 56.638 58.000 0.075 0.000 0.953 200 F CB 1.405 40.430 39.000 0.041 0.000 1.287 200 F HN 0.186 nan 8.300 nan 0.000 0.446 201 K N 1.777 122.402 120.400 0.374 0.000 2.355 201 K HA 0.455 4.776 4.320 0.001 0.000 0.270 201 K C 0.772 177.514 176.600 0.236 0.000 1.003 201 K CA 0.281 56.753 56.287 0.309 0.000 0.957 201 K CB 1.415 34.070 32.500 0.258 0.000 0.939 201 K HN 0.875 nan 8.250 nan 0.000 0.482 202 A N 3.728 126.635 122.820 0.145 0.000 1.968 202 A HA -0.146 4.175 4.320 0.001 0.000 0.217 202 A C 1.664 179.450 177.584 0.338 0.000 1.169 202 A CA 1.171 53.377 52.037 0.282 0.000 0.638 202 A CB -0.225 18.906 19.000 0.219 0.000 0.812 202 A HN 0.810 nan 8.150 nan 0.000 0.446 203 K N 0.232 120.745 120.400 0.188 0.000 2.127 203 K HA -0.269 4.052 4.320 0.001 0.000 0.212 203 K C 1.649 178.378 176.600 0.214 0.000 1.050 203 K CA 1.978 58.363 56.287 0.163 0.000 0.929 203 K CB -0.376 32.183 32.500 0.098 0.000 0.715 203 K HN 0.661 nan 8.250 nan 0.000 0.457 204 E N 0.821 121.159 120.200 0.229 0.000 2.267 204 E HA -0.112 4.238 4.350 0.001 0.000 0.197 204 E C 0.080 176.773 176.600 0.154 0.000 0.998 204 E CA 0.825 57.334 56.400 0.183 0.000 0.830 204 E CB 0.031 29.848 29.700 0.194 0.000 0.751 204 E HN 0.267 nan 8.360 nan 0.000 0.491 205 K N 0.936 121.476 120.400 0.234 0.000 2.235 205 K HA 0.313 4.634 4.320 0.001 0.000 0.266 205 K C 0.058 176.938 176.600 0.467 0.000 0.980 205 K CA -0.525 55.894 56.287 0.219 0.000 0.849 205 K CB 1.898 34.348 32.500 -0.083 0.000 1.098 205 K HN -0.036 nan 8.250 nan 0.000 0.445 206 G N 1.145 110.219 108.800 0.457 0.000 2.606 206 G HA2 -0.087 3.874 3.960 0.001 0.000 0.252 206 G HA3 -0.087 3.874 3.960 0.001 0.000 0.252 206 G C 0.818 175.960 174.900 0.402 0.000 1.206 206 G CA -0.237 45.078 45.100 0.359 0.000 0.861 206 G HN 0.826 nan 8.290 nan 0.000 0.561 207 E N 0.246 120.641 120.200 0.324 0.000 2.492 207 E HA -0.184 4.166 4.350 0.001 0.000 0.204 207 E C 1.401 178.143 176.600 0.236 0.000 1.073 207 E CA 1.405 58.021 56.400 0.361 0.000 0.887 207 E CB -0.102 29.708 29.700 0.183 0.000 0.813 207 E HN 0.765 nan 8.360 nan 0.000 0.562 208 E N -0.361 119.861 120.200 0.036 0.000 2.028 208 E HA -0.101 4.250 4.350 0.001 0.000 0.190 208 E C 1.742 178.159 176.600 -0.307 0.000 0.984 208 E CA 1.504 57.764 56.400 -0.235 0.000 0.800 208 E CB -0.293 29.106 29.700 -0.502 0.000 0.758 208 E HN 0.353 nan 8.360 nan 0.000 0.448 209 F N -0.371 119.465 119.950 -0.191 0.000 2.365 209 F HA -0.053 4.474 4.527 0.001 0.000 0.300 209 F C 1.575 177.097 175.800 -0.464 0.000 1.090 209 F CA 0.639 58.412 58.000 -0.379 0.000 1.408 209 F CB -0.159 38.553 39.000 -0.479 0.000 1.060 209 F HN -0.003 nan 8.300 nan 0.000 0.534 210 F N -0.257 119.768 119.950 0.124 0.000 2.710 210 F HA 0.084 4.611 4.527 0.001 0.000 0.298 210 F C 2.043 177.843 175.800 0.001 0.000 1.137 210 F CA 0.258 58.313 58.000 0.091 0.000 1.444 210 F CB -0.565 38.585 39.000 0.249 0.000 1.111 210 F HN -0.193 nan 8.300 nan 0.000 0.580 211 R N 0.231 120.795 120.500 0.107 0.000 2.093 211 R HA 0.008 4.349 4.340 0.001 0.000 0.224 211 R C 2.049 178.305 176.300 -0.074 0.000 1.101 211 R CA 0.837 56.949 56.100 0.019 0.000 0.979 211 R CB -0.563 29.734 30.300 -0.005 0.000 0.877 211 R HN 0.346 nan 8.270 nan 0.000 0.441 212 L N 0.218 121.359 121.223 -0.137 0.000 2.005 212 L HA -0.211 4.130 4.340 0.001 0.000 0.207 212 L C 2.526 179.248 176.870 -0.245 0.000 1.072 212 L CA 1.263 56.001 54.840 -0.171 0.000 0.744 212 L CB -0.330 41.632 42.059 -0.162 0.000 0.895 212 L HN 0.290 nan 8.230 nan 0.000 0.433 213 C N -1.021 118.018 119.300 -0.436 0.000 2.440 213 C HA -0.145 4.315 4.460 0.001 0.000 0.278 213 C C 2.816 177.447 174.990 -0.598 0.000 1.295 213 C CA 0.233 58.797 59.018 -0.757 0.000 1.738 213 C CB -0.693 25.981 27.740 -1.776 0.000 1.987 213 C HN 0.491 nan 8.230 nan 0.000 0.492 214 M N 0.835 120.223 119.600 -0.355 0.000 2.149 214 M HA -0.192 4.289 4.480 0.001 0.000 0.261 214 M C 2.068 178.340 176.300 -0.047 0.000 1.064 214 M CA 1.810 57.066 55.300 -0.074 0.000 1.102 214 M CB -0.606 32.021 32.600 0.045 0.000 1.369 214 M HN 0.536 nan 8.290 nan 0.000 0.408 215 E N -0.585 119.564 120.200 -0.084 0.000 2.021 215 E HA -0.106 4.244 4.350 0.001 0.000 0.189 215 E C 2.053 178.613 176.600 -0.066 0.000 0.980 215 E CA 0.842 57.207 56.400 -0.058 0.000 0.803 215 E CB 0.005 29.668 29.700 -0.061 0.000 0.766 215 E HN 0.389 nan 8.360 nan 0.000 0.449 216 R N 1.184 121.619 120.500 -0.108 0.000 2.132 216 R HA -0.103 4.237 4.340 0.001 0.000 0.233 216 R C 1.271 177.539 176.300 -0.053 0.000 1.125 216 R CA 1.198 57.243 56.100 -0.092 0.000 0.914 216 R CB -1.195 29.028 30.300 -0.129 0.000 0.845 216 R HN 0.189 nan 8.270 nan 0.000 0.431 217 S N 0.745 116.416 115.700 -0.048 0.000 2.715 217 S HA -0.094 4.376 4.470 0.001 0.000 0.318 217 S C 0.932 175.567 174.600 0.059 0.000 1.242 217 S CA 0.165 58.418 58.200 0.087 0.000 1.044 217 S CB 0.952 64.328 63.200 0.292 0.000 0.760 217 S HN 0.215 nan 8.310 nan 0.000 0.501 218 T N 3.169 117.724 114.554 0.001 0.000 2.643 218 T HA -0.037 4.313 4.350 0.001 0.000 0.256 218 T C 0.824 175.430 174.700 -0.157 0.000 1.061 218 T CA 1.086 63.062 62.100 -0.207 0.000 1.163 218 T CB -0.523 67.985 68.868 -0.600 0.000 0.865 218 T HN 0.791 nan 8.240 nan 0.000 0.407 219 H N 1.410 120.530 119.070 0.083 0.000 2.547 219 H HA 0.264 4.821 4.556 0.001 0.000 0.362 219 H C 1.173 176.548 175.328 0.078 0.000 1.181 219 H CA -0.219 55.865 56.048 0.061 0.000 1.376 219 H CB 1.078 30.860 29.762 0.032 0.000 1.488 219 H HN 0.182 nan 8.280 nan 0.000 0.583 220 K N 0.882 121.386 120.400 0.173 0.000 1.987 220 K HA -0.190 4.130 4.320 0.001 0.000 0.216 220 K C 2.327 178.995 176.600 0.112 0.000 1.051 220 K CA 2.313 58.670 56.287 0.117 0.000 0.942 220 K CB -0.149 32.404 32.500 0.088 0.000 0.722 220 K HN 0.583 nan 8.250 nan 0.000 0.444 221 S N 0.872 116.623 115.700 0.085 0.000 2.383 221 S HA -0.166 4.305 4.470 0.001 0.000 0.227 221 S C 2.134 176.777 174.600 0.071 0.000 1.026 221 S CA 1.444 59.672 58.200 0.046 0.000 0.981 221 S CB -0.605 62.587 63.200 -0.013 0.000 0.818 221 S HN 0.375 nan 8.310 nan 0.000 0.472 222 S N 1.593 117.376 115.700 0.139 0.000 2.469 222 S HA -0.022 4.448 4.470 0.001 0.000 0.238 222 S C 1.723 176.545 174.600 0.370 0.000 0.998 222 S CA 0.979 59.329 58.200 0.250 0.000 0.957 222 S CB -0.372 63.094 63.200 0.443 0.000 0.764 222 S HN 0.574 nan 8.310 nan 0.000 0.514 223 K N 0.981 121.560 120.400 0.298 0.000 2.098 223 K HA 0.140 4.461 4.320 0.001 0.000 0.203 223 K C 2.179 178.932 176.600 0.255 0.000 1.051 223 K CA 0.885 57.364 56.287 0.320 0.000 0.957 223 K CB -0.015 32.605 32.500 0.199 0.000 0.738 223 K HN 0.369 nan 8.250 nan 0.000 0.447 224 K N 0.382 120.870 120.400 0.146 0.000 2.209 224 K HA -0.075 4.246 4.320 0.001 0.000 0.204 224 K C 1.995 178.632 176.600 0.063 0.000 1.048 224 K CA 1.148 57.490 56.287 0.091 0.000 0.940 224 K CB -0.057 32.471 32.500 0.047 0.000 0.729 224 K HN 0.088 nan 8.250 nan 0.000 0.451 225 A N 0.775 123.604 122.820 0.015 0.000 1.902 225 A HA -0.143 4.178 4.320 0.001 0.000 0.217 225 A C 1.743 179.268 177.584 -0.097 0.000 1.181 225 A CA 1.121 53.089 52.037 -0.116 0.000 0.623 225 A CB -0.781 18.059 19.000 -0.266 0.000 0.818 225 A HN 0.460 nan 8.150 nan 0.000 0.443 226 W N -0.543 120.823 121.300 0.110 0.000 2.443 226 W HA 0.062 4.722 4.660 0.001 0.000 0.296 226 W C 2.224 178.802 176.519 0.099 0.000 1.202 226 W CA 0.738 58.170 57.345 0.146 0.000 1.312 226 W CB -0.175 29.391 29.460 0.176 0.000 1.120 226 W HN 0.463 nan 8.180 nan 0.000 0.536 227 E N 1.387 121.770 120.200 0.305 0.000 2.048 227 E HA -0.330 4.020 4.350 0.001 0.000 0.202 227 E C 1.887 178.548 176.600 0.101 0.000 1.021 227 E CA 2.283 58.785 56.400 0.171 0.000 0.825 227 E CB -0.475 29.299 29.700 0.124 0.000 0.756 227 E HN 0.315 nan 8.360 nan 0.000 0.454 228 E N -0.477 119.761 120.200 0.062 0.000 2.130 228 E HA -0.200 4.150 4.350 0.001 0.000 0.196 228 E C 2.153 178.737 176.600 -0.026 0.000 0.998 228 E CA 1.286 57.690 56.400 0.006 0.000 0.806 228 E CB -0.161 29.528 29.700 -0.018 0.000 0.738 228 E HN 0.375 nan 8.360 nan 0.000 0.459 229 L N 0.320 121.534 121.223 -0.015 0.000 2.179 229 L HA -0.115 4.225 4.340 0.001 0.000 0.208 229 L C 2.515 179.246 176.870 -0.232 0.000 1.096 229 L CA 0.240 55.001 54.840 -0.130 0.000 0.779 229 L CB -0.155 41.858 42.059 -0.075 0.000 0.922 229 L HN 0.276 nan 8.230 nan 0.000 0.443 230 L N -0.011 121.196 121.223 -0.027 0.000 2.027 230 L HA -0.194 4.147 4.340 0.001 0.000 0.206 230 L C 2.244 179.094 176.870 -0.034 0.000 1.074 230 L CA 1.815 56.656 54.840 0.002 0.000 0.745 230 L CB -0.120 42.011 42.059 0.120 0.000 0.898 230 L HN 0.045 nan 8.230 nan 0.000 0.433 231 K N -1.019 119.372 120.400 -0.015 0.000 2.374 231 K HA 0.080 4.401 4.320 0.001 0.000 0.196 231 K C 0.004 176.585 176.600 -0.032 0.000 1.023 231 K CA -0.087 56.193 56.287 -0.012 0.000 1.103 231 K CB 0.192 32.697 32.500 0.008 0.000 0.848 231 K HN 0.130 nan 8.250 nan 0.000 0.528 232 N N 1.292 119.957 118.700 -0.059 0.000 2.696 232 N HA 0.114 4.854 4.740 0.001 0.000 0.246 232 N C 0.373 175.831 175.510 -0.087 0.000 1.057 232 N CA -0.146 52.866 53.050 -0.063 0.000 0.867 232 N CB 0.561 39.013 38.487 -0.058 0.000 1.141 232 N HN -0.146 nan 8.380 nan 0.000 0.517 233 R N 1.165 121.622 120.500 -0.071 0.000 2.105 233 R HA -0.135 4.206 4.340 0.001 0.000 0.239 233 R C 1.313 177.567 176.300 -0.076 0.000 1.135 233 R CA 1.053 57.108 56.100 -0.075 0.000 0.967 233 R CB -0.137 30.137 30.300 -0.044 0.000 0.861 233 R HN 0.702 nan 8.270 nan 0.000 0.442 234 E N 0.448 120.611 120.200 -0.063 0.000 2.106 234 E HA -0.119 4.231 4.350 0.001 0.000 0.192 234 E C 2.038 178.590 176.600 -0.080 0.000 0.984 234 E CA 0.593 56.957 56.400 -0.061 0.000 0.806 234 E CB 0.073 29.744 29.700 -0.048 0.000 0.750 234 E HN 0.202 nan 8.360 nan 0.000 0.458 235 L N 0.421 121.590 121.223 -0.090 0.000 1.994 235 L HA -0.190 4.150 4.340 0.001 0.000 0.208 235 L C 2.816 179.605 176.870 -0.135 0.000 1.071 235 L CA 1.469 56.244 54.840 -0.108 0.000 0.745 235 L CB -0.618 41.379 42.059 -0.105 0.000 0.892 235 L HN 0.221 nan 8.230 nan 0.000 0.431 236 R N -0.022 120.380 120.500 -0.163 0.000 2.159 236 R HA -0.309 4.031 4.340 0.001 0.000 0.252 236 R C 2.138 178.372 176.300 -0.110 0.000 1.144 236 R CA 2.316 58.306 56.100 -0.182 0.000 0.961 236 R CB -0.282 29.878 30.300 -0.233 0.000 0.877 236 R HN 0.305 nan 8.270 nan 0.000 0.444 237 E N 0.472 120.615 120.200 -0.095 0.000 2.065 237 E HA -0.229 4.122 4.350 0.001 0.000 0.201 237 E C 1.648 178.165 176.600 -0.138 0.000 1.016 237 E CA 2.184 58.534 56.400 -0.084 0.000 0.818 237 E CB 0.120 29.779 29.700 -0.069 0.000 0.749 237 E HN 0.345 nan 8.360 nan 0.000 0.453 238 K N -0.138 120.161 120.400 -0.168 0.000 2.243 238 K HA 0.190 4.510 4.320 0.001 0.000 0.201 238 K C 0.675 177.043 176.600 -0.387 0.000 1.051 238 K CA 0.507 56.642 56.287 -0.252 0.000 0.970 238 K CB 0.092 32.478 32.500 -0.189 0.000 0.755 238 K HN 0.083 nan 8.250 nan 0.000 0.465 239 A N 1.993 124.654 122.820 -0.265 0.000 2.520 239 A HA 0.215 4.536 4.320 0.001 0.000 0.245 239 A C -0.647 176.783 177.584 -0.258 0.000 1.072 239 A CA 0.045 51.947 52.037 -0.224 0.000 0.761 239 A CB -0.339 18.584 19.000 -0.127 0.000 1.004 239 A HN 0.200 nan 8.150 nan 0.000 0.499 240 F N 1.873 121.767 119.950 -0.094 0.000 2.415 240 F HA 0.423 4.951 4.527 0.001 0.000 0.348 240 F C 0.228 175.894 175.800 -0.225 0.000 1.119 240 F CA -0.523 57.388 58.000 -0.148 0.000 1.069 240 F CB 1.474 40.403 39.000 -0.118 0.000 1.124 240 F HN 0.365 nan 8.300 nan 0.000 0.472 241 L N 4.354 125.452 121.223 -0.208 0.000 2.334 241 L HA 0.587 4.928 4.340 0.001 0.000 0.277 241 L C -0.711 175.873 176.870 -0.477 0.000 1.075 241 L CA -0.876 53.706 54.840 -0.429 0.000 0.804 241 L CB 1.566 43.226 42.059 -0.664 0.000 1.174 241 L HN 0.273 nan 8.230 nan 0.000 0.438 242 V N 3.627 123.448 119.914 -0.155 0.000 2.483 242 V HA 0.355 4.475 4.120 0.001 0.000 0.297 242 V C -0.037 176.140 176.094 0.138 0.000 1.027 242 V CA -0.638 61.657 62.300 -0.009 0.000 0.855 242 V CB 2.072 33.914 31.823 0.031 0.000 0.995 242 V HN 0.418 nan 8.190 nan 0.000 0.424 243 V N 6.063 126.097 119.914 0.199 0.000 2.743 243 V HA 0.492 4.612 4.120 0.001 0.000 0.301 243 V C 0.037 176.241 176.094 0.183 0.000 1.057 243 V CA -0.568 61.860 62.300 0.214 0.000 1.006 243 V CB 1.747 33.698 31.823 0.214 0.000 1.024 243 V HN 0.602 nan 8.190 nan 0.000 0.473 244 L N 2.061 123.406 121.223 0.203 0.000 2.331 244 L HA 0.448 4.789 4.340 0.001 0.000 0.275 244 L C 1.417 178.383 176.870 0.159 0.000 1.022 244 L CA -0.493 54.477 54.840 0.216 0.000 0.812 244 L CB 1.691 43.962 42.059 0.353 0.000 1.257 244 L HN 0.702 nan 8.230 nan 0.000 0.435 245 E N 1.500 121.783 120.200 0.138 0.000 2.108 245 E HA -0.250 4.101 4.350 0.001 0.000 0.203 245 E C 1.076 177.744 176.600 0.113 0.000 1.022 245 E CA 1.769 58.232 56.400 0.105 0.000 0.823 245 E CB 0.098 29.854 29.700 0.094 0.000 0.744 245 E HN 0.492 nan 8.360 nan 0.000 0.456 246 K N -1.144 119.378 120.400 0.203 0.000 2.487 246 K HA 0.079 4.400 4.320 0.001 0.000 0.192 246 K C 1.144 177.766 176.600 0.038 0.000 1.027 246 K CA 0.701 57.135 56.287 0.245 0.000 1.054 246 K CB 0.953 33.784 32.500 0.552 0.000 0.824 246 K HN 0.257 nan 8.250 nan 0.000 0.510 247 G N 0.446 109.200 108.800 -0.076 0.000 2.370 247 G HA2 -0.131 3.830 3.960 0.001 0.000 0.174 247 G HA3 -0.131 3.830 3.960 0.001 0.000 0.174 247 G C -0.548 174.032 174.900 -0.533 0.000 1.002 247 G CA -0.686 44.175 45.100 -0.399 0.000 0.730 247 G HN 0.193 nan 8.290 nan 0.000 0.497 248 Y N 0.285 120.580 120.300 -0.008 0.000 2.576 248 Y HA 0.770 5.320 4.550 0.001 0.000 0.346 248 Y C 0.246 176.093 175.900 -0.089 0.000 1.018 248 Y CA -0.976 57.054 58.100 -0.117 0.000 1.050 248 Y CB 1.797 40.105 38.460 -0.255 0.000 1.280 248 Y HN 0.006 nan 8.280 nan 0.000 0.474 249 T N 1.380 115.925 114.554 -0.014 0.000 2.829 249 T HA 0.621 4.971 4.350 0.001 0.000 0.280 249 T C -1.447 173.227 174.700 -0.043 0.000 0.999 249 T CA -0.809 61.336 62.100 0.076 0.000 0.983 249 T CB 0.525 69.516 68.868 0.205 0.000 0.968 249 T HN 0.453 nan 8.240 nan 0.000 0.446 250 Y N 1.797 122.240 120.300 0.239 0.000 2.581 250 Y HA 0.494 5.045 4.550 0.001 0.000 0.345 250 Y C -2.359 173.466 175.900 -0.124 0.000 1.036 250 Y CA -2.712 55.439 58.100 0.085 0.000 1.042 250 Y CB 2.162 40.643 38.460 0.036 0.000 1.289 250 Y HN 0.400 nan 8.280 nan 0.000 0.471 251 P HA 0.164 nan 4.420 nan 0.000 0.285 251 P C -0.171 177.060 177.300 -0.115 0.000 1.259 251 P CA -0.057 62.895 63.100 -0.246 0.000 0.794 251 P CB 1.641 33.057 31.700 -0.474 0.000 0.940 252 A N 3.262 126.045 122.820 -0.062 0.000 2.024 252 A HA -0.148 4.172 4.320 0.001 0.000 0.220 252 A C 1.669 179.217 177.584 -0.061 0.000 1.164 252 A CA 2.145 54.162 52.037 -0.033 0.000 0.643 252 A CB -1.886 17.128 19.000 0.024 0.000 0.806 252 A HN 0.640 nan 8.150 nan 0.000 0.451 253 T N -2.478 112.024 114.554 -0.087 0.000 3.320 253 T HA 0.122 4.472 4.350 0.001 0.000 0.262 253 T C 1.048 175.684 174.700 -0.106 0.000 1.187 253 T CA 1.140 63.187 62.100 -0.089 0.000 1.038 253 T CB -0.373 68.436 68.868 -0.098 0.000 0.939 253 T HN 0.471 nan 8.240 nan 0.000 0.550 254 I N -0.914 119.582 120.570 -0.124 0.000 4.779 254 I HA 0.293 4.464 4.170 0.001 0.000 0.339 254 I C -0.101 175.912 176.117 -0.172 0.000 1.293 254 I CA -0.232 60.975 61.300 -0.155 0.000 1.324 254 I CB 0.828 38.717 38.000 -0.185 0.000 1.424 254 I HN 0.193 nan 8.210 nan 0.000 0.489 255 L N 2.517 123.659 121.223 -0.135 0.000 2.292 255 L HA 0.386 4.726 4.340 0.001 0.000 0.284 255 L C -0.330 176.488 176.870 -0.087 0.000 1.065 255 L CA -0.142 54.625 54.840 -0.121 0.000 0.806 255 L CB 0.925 42.939 42.059 -0.074 0.000 1.175 255 L HN -0.032 nan 8.230 nan 0.000 0.431 256 K N 3.993 124.339 120.400 -0.090 0.000 2.426 256 K HA 0.449 4.769 4.320 0.001 0.000 0.254 256 K C -2.569 173.999 176.600 -0.053 0.000 0.936 256 K CA -1.902 54.344 56.287 -0.067 0.000 0.801 256 K CB 2.284 34.731 32.500 -0.088 0.000 1.139 256 K HN 0.197 nan 8.250 nan 0.000 0.424 257 P HA -0.017 nan 4.420 nan 0.000 0.269 257 P C -0.615 176.669 177.300 -0.027 0.000 1.217 257 P CA -0.451 62.637 63.100 -0.019 0.000 0.783 257 P CB 0.575 32.279 31.700 0.007 0.000 0.898 258 V N 3.957 123.852 119.914 -0.032 0.000 2.350 258 V HA 0.266 4.387 4.120 0.001 0.000 0.276 258 V C -0.047 176.028 176.094 -0.032 0.000 1.028 258 V CA -0.269 62.010 62.300 -0.035 0.000 0.860 258 V CB 0.240 32.032 31.823 -0.051 0.000 0.990 258 V HN 0.291 nan 8.190 nan 0.000 0.453 259 L N 5.727 126.935 121.223 -0.024 0.000 2.329 259 L HA 0.647 4.988 4.340 0.001 0.000 0.279 259 L C 0.633 177.476 176.870 -0.044 0.000 1.014 259 L CA -0.190 54.628 54.840 -0.036 0.000 0.814 259 L CB 1.930 43.983 42.059 -0.010 0.000 1.257 259 L HN 0.583 nan 8.230 nan 0.000 0.424 260 T N -0.742 113.755 114.554 -0.096 0.000 2.579 260 T HA 0.123 4.473 4.350 0.001 0.000 0.214 260 T C 0.888 175.559 174.700 -0.049 0.000 0.899 260 T CA 0.237 62.292 62.100 -0.075 0.000 1.323 260 T CB -0.062 68.735 68.868 -0.118 0.000 2.982 260 T HN 0.598 nan 8.240 nan 0.000 0.440 261 Y N 1.657 121.901 120.300 -0.093 0.000 2.301 261 Y HA 0.330 4.880 4.550 0.001 0.000 0.295 261 Y C 1.740 177.554 175.900 -0.143 0.000 1.126 261 Y CA 0.630 58.675 58.100 -0.091 0.000 1.154 261 Y CB -1.112 37.306 38.460 -0.071 0.000 1.075 261 Y HN 0.509 nan 8.280 nan 0.000 0.534 262 E N 2.143 121.949 120.200 -0.657 0.000 2.413 262 E HA -0.049 4.301 4.350 0.001 0.000 0.204 262 E C -0.063 176.007 176.600 -0.884 0.000 1.275 262 E CA 0.830 56.734 56.400 -0.827 0.000 1.090 262 E CB -1.199 27.799 29.700 -1.171 0.000 1.145 262 E HN 0.928 nan 8.360 nan 0.000 0.472 263 N N -0.443 118.057 118.700 -0.333 0.000 1.839 263 N HA 0.010 4.750 4.740 0.001 0.000 0.232 263 N C -0.243 175.267 175.510 0.000 0.000 1.425 263 N CA -0.423 52.546 53.050 -0.135 0.000 0.743 263 N CB -0.190 38.202 38.487 -0.158 0.000 1.044 263 N HN -0.005 nan 8.380 nan 0.000 0.519 264 L N 2.196 123.423 121.223 0.007 0.000 2.490 264 L HA 0.140 4.481 4.340 0.001 0.000 0.274 264 L C 1.504 178.409 176.870 0.058 0.000 1.201 264 L CA 0.191 55.052 54.840 0.036 0.000 0.869 264 L CB 0.452 42.535 42.059 0.040 0.000 1.123 264 L HN 0.213 nan 8.230 nan 0.000 0.484 265 E N 1.518 121.746 120.200 0.046 0.000 3.677 265 E HA -0.111 4.239 4.350 0.001 0.000 0.523 265 E C 0.236 176.861 176.600 0.042 0.000 0.493 265 E CA 0.816 57.243 56.400 0.046 0.000 3.274 265 E CB 0.296 30.013 29.700 0.029 0.000 1.915 265 E HN 0.800 nan 8.360 nan 0.000 0.413 266 D N -0.729 119.685 120.400 0.023 0.000 3.136 266 D HA 0.034 4.674 4.640 0.001 0.000 0.254 266 D C 1.284 177.587 176.300 0.005 0.000 1.563 266 D CA 0.245 54.254 54.000 0.015 0.000 1.225 266 D CB -0.098 40.705 40.800 0.006 0.000 1.079 266 D HN 0.125 nan 8.370 nan 0.000 0.314 267 E N 0.628 120.826 120.200 -0.003 0.000 2.515 267 E HA -0.083 4.267 4.350 0.001 0.000 0.201 267 E C 1.110 177.704 176.600 -0.009 0.000 1.071 267 E CA 0.498 56.892 56.400 -0.010 0.000 0.880 267 E CB 0.244 29.935 29.700 -0.015 0.000 0.828 267 E HN 0.296 nan 8.360 nan 0.000 0.540 268 E N -0.350 119.850 120.200 -0.000 0.000 2.206 268 E HA 0.069 4.419 4.350 0.001 0.000 0.195 268 E C 1.752 178.355 176.600 0.006 0.000 0.935 268 E CA -0.145 56.257 56.400 0.003 0.000 0.875 268 E CB 0.262 29.969 29.700 0.012 0.000 0.841 268 E HN 0.021 nan 8.360 nan 0.000 0.477 269 R N 0.938 121.447 120.500 0.015 0.000 2.154 269 R HA -0.164 4.177 4.340 0.001 0.000 0.248 269 R C 1.537 177.838 176.300 0.003 0.000 1.155 269 R CA 1.401 57.514 56.100 0.021 0.000 0.979 269 R CB -0.038 30.284 30.300 0.037 0.000 0.869 269 R HN 0.158 nan 8.270 nan 0.000 0.452 270 N N 0.119 118.814 118.700 -0.008 0.000 2.178 270 N HA -0.140 4.600 4.740 0.001 0.000 0.189 270 N C 1.595 177.087 175.510 -0.030 0.000 1.048 270 N CA 0.854 53.891 53.050 -0.022 0.000 0.855 270 N CB -0.707 37.765 38.487 -0.025 0.000 1.028 270 N HN 0.060 nan 8.380 nan 0.000 0.441 271 E N 1.315 121.497 120.200 -0.031 0.000 2.095 271 E HA -0.177 4.174 4.350 0.001 0.000 0.212 271 E C 1.834 178.412 176.600 -0.036 0.000 1.044 271 E CA 1.604 57.980 56.400 -0.041 0.000 0.857 271 E CB -0.489 29.188 29.700 -0.037 0.000 0.764 271 E HN 0.120 nan 8.360 nan 0.000 0.462 272 V N 0.534 120.438 119.914 -0.017 0.000 2.295 272 V HA -0.252 3.868 4.120 0.001 0.000 0.246 272 V C 2.396 178.463 176.094 -0.044 0.000 1.049 272 V CA 2.024 64.316 62.300 -0.012 0.000 1.024 272 V CB -1.079 30.744 31.823 0.001 0.000 0.648 272 V HN 0.488 nan 8.190 nan 0.000 0.447 273 A N -0.382 122.416 122.820 -0.036 0.000 2.015 273 A HA -0.206 4.115 4.320 0.001 0.000 0.219 273 A C 1.809 179.360 177.584 -0.054 0.000 1.163 273 A CA 1.538 53.548 52.037 -0.046 0.000 0.646 273 A CB -0.576 18.402 19.000 -0.038 0.000 0.806 273 A HN 0.527 nan 8.150 nan 0.000 0.448 274 D N -0.781 119.589 120.400 -0.050 0.000 2.411 274 D HA -0.042 4.598 4.640 0.001 0.000 0.226 274 D C 1.139 177.410 176.300 -0.048 0.000 0.988 274 D CA 0.944 54.916 54.000 -0.047 0.000 0.938 274 D CB 0.043 40.811 40.800 -0.053 0.000 0.883 274 D HN 0.581 nan 8.370 nan 0.000 0.525 275 I N -1.475 119.050 120.570 -0.075 0.000 4.578 275 I HA -0.090 4.080 4.170 0.001 0.000 0.312 275 I C 1.903 177.853 176.117 -0.280 0.000 1.224 275 I CA 0.158 61.387 61.300 -0.119 0.000 1.318 275 I CB 0.725 38.710 38.000 -0.025 0.000 1.388 275 I HN -0.222 nan 8.210 nan 0.000 0.461 276 V N 0.714 120.492 119.914 -0.227 0.000 2.488 276 V HA -0.071 4.049 4.120 0.001 0.000 0.246 276 V C 2.363 178.433 176.094 -0.039 0.000 1.046 276 V CA 1.609 63.815 62.300 -0.157 0.000 1.053 276 V CB -0.639 31.137 31.823 -0.078 0.000 0.679 276 V HN 0.273 nan 8.190 nan 0.000 0.458 277 R N -0.893 119.581 120.500 -0.043 0.000 2.161 277 R HA 0.217 4.557 4.340 0.001 0.000 0.213 277 R C 0.940 177.247 176.300 0.011 0.000 1.055 277 R CA 0.072 56.156 56.100 -0.028 0.000 0.996 277 R CB -0.042 30.224 30.300 -0.057 0.000 0.901 277 R HN 0.433 nan 8.270 nan 0.000 0.456 278 M N 2.226 121.842 119.600 0.026 0.000 4.043 278 M HA -0.201 4.279 4.480 0.001 0.000 0.157 278 M C -0.975 175.388 176.300 0.104 0.000 1.532 278 M CA 0.555 55.902 55.300 0.079 0.000 1.096 278 M CB 0.354 33.030 32.600 0.127 0.000 1.346 278 M HN -0.025 nan 8.290 nan 0.000 0.195 279 E N 6.743 127.012 120.200 0.116 0.000 2.383 279 E HA 0.161 4.512 4.350 0.001 0.000 0.264 279 E C -1.831 174.875 176.600 0.177 0.000 1.050 279 E CA -1.688 54.800 56.400 0.147 0.000 0.896 279 E CB 0.436 30.238 29.700 0.170 0.000 0.982 279 E HN 0.445 nan 8.360 nan 0.000 0.424 280 P HA -0.164 nan 4.420 nan 0.000 0.216 280 P C 1.267 178.764 177.300 0.328 0.000 1.150 280 P CA 1.718 65.026 63.100 0.346 0.000 0.843 280 P CB 0.184 32.064 31.700 0.299 0.000 0.787 281 G N 0.086 109.000 108.800 0.191 0.000 2.529 281 G HA2 -0.343 3.617 3.960 0.001 0.000 0.219 281 G HA3 -0.343 3.617 3.960 0.001 0.000 0.219 281 G C 1.659 176.601 174.900 0.069 0.000 1.177 281 G CA 1.399 46.559 45.100 0.100 0.000 0.773 281 G HN 0.277 nan 8.290 nan 0.000 0.573 282 K N -0.004 120.455 120.400 0.099 0.000 2.007 282 K HA 0.010 4.330 4.320 0.001 0.000 0.206 282 K C 2.591 179.244 176.600 0.088 0.000 1.047 282 K CA 1.000 57.340 56.287 0.088 0.000 0.937 282 K CB -0.204 32.360 32.500 0.106 0.000 0.718 282 K HN 0.227 nan 8.250 nan 0.000 0.438 283 R N 0.513 121.096 120.500 0.139 0.000 2.133 283 R HA -0.201 4.140 4.340 0.001 0.000 0.247 283 R C 2.148 178.450 176.300 0.002 0.000 1.151 283 R CA 1.637 57.822 56.100 0.142 0.000 0.971 283 R CB -0.301 30.159 30.300 0.267 0.000 0.866 283 R HN 0.202 nan 8.270 nan 0.000 0.447 284 L N 1.325 122.467 121.223 -0.135 0.000 2.072 284 L HA -0.075 4.266 4.340 0.001 0.000 0.205 284 L C 1.491 178.245 176.870 -0.193 0.000 1.079 284 L CA 1.724 56.325 54.840 -0.399 0.000 0.752 284 L CB -0.664 40.963 42.059 -0.720 0.000 0.906 284 L HN 0.182 nan 8.230 nan 0.000 0.436 285 N N -0.347 118.296 118.700 -0.095 0.000 2.149 285 N HA -0.191 4.549 4.740 0.001 0.000 0.188 285 N C 1.935 177.443 175.510 -0.003 0.000 1.019 285 N CA 1.587 54.619 53.050 -0.030 0.000 0.857 285 N CB -0.381 38.114 38.487 0.014 0.000 0.997 285 N HN 0.361 nan 8.380 nan 0.000 0.426 286 L N 0.449 121.655 121.223 -0.029 0.000 2.044 286 L HA -0.027 4.313 4.340 0.001 0.000 0.205 286 L C 2.145 178.932 176.870 -0.139 0.000 1.075 286 L CA 0.643 55.436 54.840 -0.078 0.000 0.747 286 L CB -0.277 41.733 42.059 -0.081 0.000 0.903 286 L HN 0.061 nan 8.230 nan 0.000 0.435 287 I N -0.488 119.999 120.570 -0.139 0.000 2.194 287 I HA -0.378 3.792 4.170 0.001 0.000 0.246 287 I C 2.746 178.720 176.117 -0.237 0.000 1.093 287 I CA 1.455 62.640 61.300 -0.191 0.000 1.355 287 I CB -0.220 37.721 38.000 -0.098 0.000 1.046 287 I HN 0.194 nan 8.210 nan 0.000 0.413 288 R N -0.768 119.638 120.500 -0.155 0.000 2.075 288 R HA -0.207 4.134 4.340 0.001 0.000 0.232 288 R C 2.375 178.583 176.300 -0.153 0.000 1.126 288 R CA 1.729 57.734 56.100 -0.158 0.000 0.963 288 R CB -0.503 29.746 30.300 -0.086 0.000 0.858 288 R HN 0.375 nan 8.270 nan 0.000 0.435 289 Y N 1.161 121.331 120.300 -0.217 0.000 2.128 289 Y HA -0.261 4.289 4.550 0.001 0.000 0.284 289 Y C 2.033 177.747 175.900 -0.309 0.000 1.154 289 Y CA 1.662 59.645 58.100 -0.194 0.000 1.149 289 Y CB -0.079 38.302 38.460 -0.131 0.000 0.976 289 Y HN -0.044 nan 8.280 nan 0.000 0.505 290 I N -0.554 119.880 120.570 -0.225 0.000 2.113 290 I HA -0.332 3.839 4.170 0.001 0.000 0.238 290 I C 2.366 178.100 176.117 -0.638 0.000 1.070 290 I CA 1.383 62.315 61.300 -0.613 0.000 1.332 290 I CB -0.577 36.859 38.000 -0.940 0.000 1.044 290 I HN 0.281 nan 8.210 nan 0.000 0.402 291 L N 0.720 121.569 121.223 -0.622 0.000 1.997 291 L HA -0.311 4.029 4.340 0.001 0.000 0.216 291 L C 2.717 179.418 176.870 -0.283 0.000 1.074 291 L CA 1.933 56.455 54.840 -0.531 0.000 0.763 291 L CB -0.447 41.270 42.059 -0.571 0.000 0.890 291 L HN 0.091 nan 8.230 nan 0.000 0.434 292 R N -0.990 119.352 120.500 -0.264 0.000 2.103 292 R HA -0.204 4.136 4.340 0.001 0.000 0.242 292 R C 2.405 178.629 176.300 -0.126 0.000 1.142 292 R CA 2.054 58.039 56.100 -0.192 0.000 0.960 292 R CB -0.232 29.919 30.300 -0.249 0.000 0.858 292 R HN 0.448 nan 8.270 nan 0.000 0.439 293 R N -0.785 119.636 120.500 -0.132 0.000 2.080 293 R HA -0.178 4.163 4.340 0.001 0.000 0.236 293 R C 2.242 178.617 176.300 0.126 0.000 1.137 293 R CA 1.668 57.768 56.100 -0.000 0.000 0.943 293 R CB -0.636 29.698 30.300 0.056 0.000 0.846 293 R HN 0.253 nan 8.270 nan 0.000 0.431 294 Y N 1.068 121.312 120.300 -0.093 0.000 2.181 294 Y HA -0.232 4.319 4.550 0.001 0.000 0.284 294 Y C 2.473 178.372 175.900 -0.002 0.000 1.179 294 Y CA 0.781 58.839 58.100 -0.070 0.000 1.179 294 Y CB -0.932 37.478 38.460 -0.084 0.000 0.973 294 Y HN -0.140 nan 8.280 nan 0.000 0.519 295 V N -0.270 119.738 119.914 0.157 0.000 2.307 295 V HA -0.282 3.839 4.120 0.001 0.000 0.245 295 V C 2.160 178.318 176.094 0.107 0.000 1.045 295 V CA 1.919 64.291 62.300 0.121 0.000 1.024 295 V CB -0.682 31.173 31.823 0.053 0.000 0.651 295 V HN 0.260 nan 8.190 nan 0.000 0.449 296 K N 0.437 120.881 120.400 0.073 0.000 2.286 296 K HA -0.135 4.186 4.320 0.001 0.000 0.203 296 K C 1.914 178.579 176.600 0.109 0.000 1.045 296 K CA 1.503 57.831 56.287 0.068 0.000 0.935 296 K CB -0.264 32.261 32.500 0.043 0.000 0.737 296 K HN 0.541 nan 8.250 nan 0.000 0.460 297 A N -0.342 122.560 122.820 0.137 0.000 2.288 297 A HA 0.195 4.516 4.320 0.001 0.000 0.216 297 A C 1.423 179.183 177.584 0.294 0.000 1.199 297 A CA 0.106 52.248 52.037 0.176 0.000 0.891 297 A CB 0.396 19.459 19.000 0.105 0.000 0.923 297 A HN 0.130 nan 8.150 nan 0.000 0.500 298 L N -1.976 119.420 121.223 0.289 0.000 3.039 298 L HA 0.212 4.552 4.340 0.001 0.000 0.269 298 L C 2.074 179.228 176.870 0.472 0.000 1.169 298 L CA -0.127 54.976 54.840 0.439 0.000 0.986 298 L CB -0.083 42.126 42.059 0.251 0.000 1.377 298 L HN 0.226 nan 8.230 nan 0.000 0.575 299 R N 1.178 121.853 120.500 0.291 0.000 2.122 299 R HA -0.199 4.141 4.340 0.001 0.000 0.236 299 R C 1.137 177.543 176.300 0.177 0.000 1.129 299 R CA 2.127 58.352 56.100 0.209 0.000 0.925 299 R CB -0.371 29.981 30.300 0.086 0.000 0.850 299 R HN 0.303 nan 8.270 nan 0.000 0.431 300 D N -0.631 119.787 120.400 0.030 0.000 2.411 300 D HA -0.156 4.484 4.640 0.001 0.000 0.226 300 D C 0.859 177.014 176.300 -0.242 0.000 0.988 300 D CA 1.263 55.164 54.000 -0.165 0.000 0.938 300 D CB -0.116 40.477 40.800 -0.344 0.000 0.883 300 D HN 0.447 nan 8.370 nan 0.000 0.525 301 Y N -1.247 119.159 120.300 0.176 0.000 2.445 301 Y HA 0.351 4.901 4.550 0.001 0.000 0.247 301 Y C 1.835 177.759 175.900 0.040 0.000 1.129 301 Y CA 0.040 58.233 58.100 0.156 0.000 1.251 301 Y CB 1.281 39.843 38.460 0.170 0.000 1.176 301 Y HN 0.018 nan 8.280 nan 0.000 0.522 302 G N -1.247 107.647 108.800 0.156 0.000 2.183 302 G HA2 -0.218 3.743 3.960 0.001 0.000 0.168 302 G HA3 -0.218 3.743 3.960 0.001 0.000 0.168 302 G C -0.548 174.337 174.900 -0.025 0.000 1.008 302 G CA -0.828 44.221 45.100 -0.085 0.000 0.677 302 G HN 0.222 nan 8.290 nan 0.000 0.498 303 W N 0.577 122.084 121.300 0.344 0.000 2.361 303 W HA 0.732 5.393 4.660 0.001 0.000 0.309 303 W C -0.521 176.315 176.519 0.528 0.000 1.122 303 W CA -0.987 56.583 57.345 0.375 0.000 1.208 303 W CB 0.875 30.502 29.460 0.279 0.000 1.246 303 W HN 0.075 nan 8.180 nan 0.000 0.490 304 Y N 4.697 125.221 120.300 0.373 0.000 2.338 304 Y HA 0.469 5.020 4.550 0.001 0.000 0.328 304 Y C -0.195 175.836 175.900 0.219 0.000 0.965 304 Y CA -2.220 56.016 58.100 0.227 0.000 1.208 304 Y CB 0.627 39.175 38.460 0.146 0.000 1.132 304 Y HN 0.179 nan 8.280 nan 0.000 0.469 305 I N 2.309 123.056 120.570 0.295 0.000 2.405 305 I HA 0.215 4.386 4.170 0.001 0.000 0.280 305 I C 0.388 176.590 176.117 0.141 0.000 1.027 305 I CA -0.740 60.681 61.300 0.202 0.000 1.161 305 I CB 1.336 39.431 38.000 0.159 0.000 1.300 305 I HN 0.470 nan 8.210 nan 0.000 0.463 306 S N 7.379 123.174 115.700 0.158 0.000 2.558 306 S HA 0.129 4.600 4.470 0.001 0.000 0.293 306 S C -1.681 173.005 174.600 0.144 0.000 1.292 306 S CA -0.545 57.732 58.200 0.129 0.000 1.063 306 S CB 0.512 63.787 63.200 0.125 0.000 0.831 306 S HN 0.459 nan 8.310 nan 0.000 0.499 307 P HA 0.323 nan 4.420 nan 0.000 0.258 307 P C -0.664 176.733 177.300 0.161 0.000 1.416 307 P CA 0.129 63.269 63.100 0.066 0.000 0.927 307 P CB 0.114 31.818 31.700 0.007 0.000 1.444 308 E N 0.872 121.206 120.200 0.222 0.000 2.182 308 E HA 0.207 4.557 4.350 0.001 0.000 0.258 308 E C -0.343 176.338 176.600 0.134 0.000 0.879 308 E CA -0.532 55.959 56.400 0.152 0.000 0.754 308 E CB 1.465 31.216 29.700 0.086 0.000 1.162 308 E HN 0.079 nan 8.360 nan 0.000 0.419 309 E N 1.843 122.070 120.200 0.045 0.000 2.467 309 E HA -0.051 4.299 4.350 0.001 0.000 0.264 309 E C 0.163 176.689 176.600 -0.122 0.000 1.020 309 E CA 0.359 56.608 56.400 -0.252 0.000 0.945 309 E CB 0.523 30.109 29.700 -0.191 0.000 0.942 309 E HN 0.178 nan 8.360 nan 0.000 0.449 310 E N 1.897 121.995 120.200 -0.171 0.000 2.404 310 E HA 0.088 4.438 4.350 0.001 0.000 0.261 310 E C -0.174 176.457 176.600 0.052 0.000 1.074 310 E CA 0.184 56.587 56.400 0.006 0.000 0.917 310 E CB 0.631 30.307 29.700 -0.040 0.000 0.965 310 E HN 0.250 nan 8.360 nan 0.000 0.433 311 R N -0.112 120.494 120.500 0.177 0.000 2.668 311 R HA 0.495 4.836 4.340 0.001 0.000 0.279 311 R C -0.490 175.987 176.300 0.295 0.000 0.976 311 R CA -0.557 55.653 56.100 0.184 0.000 0.978 311 R CB 1.554 31.930 30.300 0.126 0.000 1.133 311 R HN 0.575 nan 8.270 nan 0.000 0.484 312 A N 2.062 125.050 122.820 0.281 0.000 2.511 312 A HA 0.029 4.349 4.320 0.001 0.000 0.242 312 A C 0.963 178.544 177.584 -0.006 0.000 1.069 312 A CA 0.109 52.310 52.037 0.273 0.000 0.763 312 A CB 0.229 19.430 19.000 0.335 0.000 1.001 312 A HN 0.855 nan 8.150 nan 0.000 0.498 313 K N 1.289 121.484 120.400 -0.341 0.000 2.152 313 K HA -0.056 4.264 4.320 0.001 0.000 0.206 313 K C 0.905 177.256 176.600 -0.415 0.000 1.048 313 K CA 1.501 57.466 56.287 -0.537 0.000 0.933 313 K CB -0.076 31.851 32.500 -0.955 0.000 0.721 313 K HN 1.064 nan 8.250 nan 0.000 0.447 314 G N -0.198 108.318 108.800 -0.473 0.000 2.320 314 G HA2 0.142 4.103 3.960 0.001 0.000 0.296 314 G HA3 0.142 4.103 3.960 0.001 0.000 0.296 314 G C -1.901 172.935 174.900 -0.106 0.000 1.306 314 G CA -0.814 44.200 45.100 -0.142 0.000 0.836 314 G HN 0.048 nan 8.290 nan 0.000 0.517 315 K N 0.910 121.222 120.400 -0.147 0.000 2.507 315 K HA 0.597 4.917 4.320 0.001 0.000 0.253 315 K C 0.054 176.630 176.600 -0.040 0.000 0.969 315 K CA -0.743 55.394 56.287 -0.251 0.000 0.908 315 K CB 0.669 32.772 32.500 -0.662 0.000 1.127 315 K HN 0.473 nan 8.250 nan 0.000 0.437 316 L N 3.107 124.341 121.223 0.019 0.000 2.506 316 L HA 0.056 4.396 4.340 0.001 0.000 0.281 316 L C 0.546 177.446 176.870 0.050 0.000 1.228 316 L CA -0.251 54.562 54.840 -0.045 0.000 0.850 316 L CB -0.019 41.954 42.059 -0.144 0.000 1.110 316 L HN 0.693 nan 8.230 nan 0.000 0.496 317 N N 2.039 120.755 118.700 0.027 0.000 2.434 317 N HA 0.680 5.420 4.740 0.001 0.000 0.266 317 N C -0.699 174.915 175.510 0.174 0.000 1.223 317 N CA -0.157 52.916 53.050 0.039 0.000 0.972 317 N CB 1.649 40.107 38.487 -0.049 0.000 1.207 317 N HN 0.501 nan 8.380 nan 0.000 0.525 318 F N -2.620 117.281 119.950 -0.082 0.000 2.725 318 F HA 0.384 4.912 4.527 0.001 0.000 0.311 318 F C -1.029 174.730 175.800 -0.069 0.000 1.121 318 F CA -1.394 56.559 58.000 -0.079 0.000 0.978 318 F CB 0.778 39.725 39.000 -0.090 0.000 1.274 318 F HN -0.060 nan 8.300 nan 0.000 0.440 319 K N 2.332 122.725 120.400 -0.012 0.000 2.451 319 K HA 0.167 4.488 4.320 0.001 0.000 0.280 319 K C -0.191 176.334 176.600 -0.126 0.000 1.020 319 K CA 0.244 56.473 56.287 -0.098 0.000 1.008 319 K CB 0.519 33.011 32.500 -0.014 0.000 0.917 319 K HN 0.869 nan 8.250 nan 0.000 0.478 320 D N -0.327 119.916 120.400 -0.262 0.000 2.562 320 D HA 0.012 4.652 4.640 0.001 0.000 0.246 320 D C -0.467 175.747 176.300 -0.143 0.000 1.347 320 D CA -0.330 53.541 54.000 -0.215 0.000 0.800 320 D CB 0.097 40.606 40.800 -0.486 0.000 1.111 320 D HN 0.150 nan 8.370 nan 0.000 0.508 321 T N 0.528 115.015 114.554 -0.112 0.000 2.882 321 T HA 0.559 4.910 4.350 0.001 0.000 0.287 321 T C -0.092 174.590 174.700 -0.030 0.000 0.992 321 T CA -0.358 61.692 62.100 -0.083 0.000 1.076 321 T CB 2.337 71.170 68.868 -0.059 0.000 0.961 321 T HN -0.108 nan 8.240 nan 0.000 0.490 322 V N 3.753 123.643 119.914 -0.041 0.000 2.914 322 V HA 0.727 4.847 4.120 0.001 0.000 0.314 322 V C -0.460 175.717 176.094 0.139 0.000 1.084 322 V CA -0.960 61.371 62.300 0.051 0.000 0.963 322 V CB 1.887 33.702 31.823 -0.013 0.000 1.025 322 V HN 0.834 nan 8.190 nan 0.000 0.432 323 L N -0.160 121.236 121.223 0.288 0.000 2.327 323 L HA 0.852 5.192 4.340 0.001 0.000 0.258 323 L C -0.334 176.829 176.870 0.488 0.000 1.024 323 L CA -0.650 54.410 54.840 0.368 0.000 0.825 323 L CB 1.817 44.027 42.059 0.251 0.000 1.386 323 L HN 0.473 nan 8.230 nan 0.000 0.417 324 D N 0.397 121.008 120.400 0.353 0.000 2.376 324 D HA 0.370 5.010 4.640 0.001 0.000 0.268 324 D C 0.957 177.195 176.300 -0.103 0.000 1.252 324 D CA 0.485 54.570 54.000 0.141 0.000 1.041 324 D CB 1.613 42.382 40.800 -0.051 0.000 1.109 324 D HN 0.772 nan 8.370 nan 0.000 0.552 325 A N -0.230 122.266 122.820 -0.542 0.000 2.167 325 A HA 0.001 4.321 4.320 0.001 0.000 0.214 325 A C 1.165 178.630 177.584 -0.198 0.000 1.151 325 A CA 0.967 52.589 52.037 -0.693 0.000 0.735 325 A CB 0.036 18.575 19.000 -0.768 0.000 0.802 325 A HN 0.314 nan 8.150 nan 0.000 0.467 326 K N -1.442 118.883 120.400 -0.126 0.000 2.706 326 K HA 0.276 4.596 4.320 0.001 0.000 0.203 326 K C 0.680 177.269 176.600 -0.018 0.000 1.102 326 K CA 0.452 56.703 56.287 -0.060 0.000 1.058 326 K CB 0.502 32.950 32.500 -0.085 0.000 0.779 326 K HN 0.609 nan 8.250 nan 0.000 0.483 327 G N 2.106 110.924 108.800 0.030 0.000 2.159 327 G HA2 -0.317 3.643 3.960 0.001 0.000 0.256 327 G HA3 -0.317 3.643 3.960 0.001 0.000 0.256 327 G C -0.064 174.879 174.900 0.071 0.000 0.977 327 G CA 0.151 45.293 45.100 0.071 0.000 0.652 327 G HN 0.309 nan 8.290 nan 0.000 0.531 328 K N 0.223 120.643 120.400 0.033 0.000 2.414 328 K HA 0.355 4.676 4.320 0.001 0.000 0.272 328 K C -0.138 176.613 176.600 0.252 0.000 0.993 328 K CA 0.127 56.441 56.287 0.045 0.000 0.964 328 K CB 0.254 32.655 32.500 -0.164 0.000 0.925 328 K HN 0.213 nan 8.250 nan 0.000 0.487 329 N N 0.712 119.571 118.700 0.265 0.000 2.238 329 N HA 0.434 5.175 4.740 0.001 0.000 0.302 329 N C -1.308 174.334 175.510 0.219 0.000 1.072 329 N CA -0.515 52.677 53.050 0.237 0.000 0.792 329 N CB 2.160 40.711 38.487 0.106 0.000 1.425 329 N HN 0.649 nan 8.380 nan 0.000 0.478 330 T N -1.871 112.702 114.554 0.032 0.000 2.762 330 T HA 0.512 4.862 4.350 0.001 0.000 0.301 330 T C -0.709 173.898 174.700 -0.156 0.000 1.299 330 T CA -1.046 61.005 62.100 -0.083 0.000 1.005 330 T CB 1.617 70.388 68.868 -0.161 0.000 1.377 330 T HN 0.098 nan 8.240 nan 0.000 0.504 331 K N 0.270 120.580 120.400 -0.150 0.000 2.102 331 K HA 0.575 4.895 4.320 0.001 0.000 0.244 331 K C 0.668 177.148 176.600 -0.200 0.000 1.021 331 K CA -0.669 55.515 56.287 -0.172 0.000 0.913 331 K CB 1.407 33.808 32.500 -0.164 0.000 1.062 331 K HN 0.303 nan 8.250 nan 0.000 0.485 332 V N 1.169 120.978 119.914 -0.175 0.000 2.326 332 V HA -0.149 3.972 4.120 0.001 0.000 0.237 332 V C 1.741 177.773 176.094 -0.103 0.000 1.044 332 V CA 1.496 63.694 62.300 -0.170 0.000 1.035 332 V CB -0.743 30.994 31.823 -0.144 0.000 0.675 332 V HN 0.977 nan 8.190 nan 0.000 0.470 333 I N -1.036 119.511 120.570 -0.037 0.000 4.740 333 I HA -0.502 3.669 4.170 0.001 0.000 0.046 333 I C 1.749 177.905 176.117 0.064 0.000 0.628 333 I CA 2.378 63.693 61.300 0.025 0.000 0.634 333 I CB -2.057 35.913 38.000 -0.051 0.000 0.604 333 I HN 0.414 nan 8.210 nan 0.000 0.157 334 T N 0.146 114.697 114.554 -0.006 0.000 3.031 334 T HA 0.208 4.558 4.350 0.001 0.000 0.236 334 T C 0.317 174.941 174.700 -0.126 0.000 1.005 334 T CA 1.007 63.091 62.100 -0.027 0.000 1.230 334 T CB -0.109 68.728 68.868 -0.052 0.000 0.913 334 T HN 0.817 nan 8.240 nan 0.000 0.419 335 N N -0.349 118.238 118.700 -0.189 0.000 6.319 335 N HA 0.015 4.755 4.740 0.001 0.000 0.120 335 N C -1.540 173.820 175.510 -0.249 0.000 0.961 335 N CA -0.495 52.378 53.050 -0.295 0.000 1.228 335 N CB -0.361 37.681 38.487 -0.742 0.000 1.394 335 N HN 0.071 nan 8.380 nan 0.000 1.112 336 L N 2.150 123.343 121.223 -0.049 0.000 2.672 336 L HA 0.238 4.578 4.340 0.001 0.000 0.238 336 L C 2.252 179.208 176.870 0.142 0.000 1.392 336 L CA -0.558 54.283 54.840 0.001 0.000 1.238 336 L CB -0.564 41.430 42.059 -0.109 0.000 1.548 336 L HN 0.634 nan 8.230 nan 0.000 0.423 337 R N 1.556 122.077 120.500 0.036 0.000 2.109 337 R HA -0.180 4.161 4.340 0.001 0.000 0.227 337 R C 1.836 178.212 176.300 0.126 0.000 1.132 337 R CA 1.883 58.029 56.100 0.076 0.000 0.907 337 R CB -0.005 30.273 30.300 -0.036 0.000 0.825 337 R HN 0.415 nan 8.270 nan 0.000 0.432 338 K N -0.447 120.013 120.400 0.099 0.000 2.063 338 K HA -0.182 4.139 4.320 0.001 0.000 0.208 338 K C 2.091 178.778 176.600 0.146 0.000 1.048 338 K CA 1.771 58.121 56.287 0.105 0.000 0.928 338 K CB -0.378 32.167 32.500 0.075 0.000 0.713 338 K HN 0.213 nan 8.250 nan 0.000 0.442 339 F N 1.283 121.245 119.950 0.020 0.000 2.216 339 F HA -0.165 4.363 4.527 0.001 0.000 0.300 339 F C 1.795 177.636 175.800 0.067 0.000 1.085 339 F CA 1.055 59.066 58.000 0.019 0.000 1.326 339 F CB 0.085 39.065 39.000 -0.032 0.000 1.027 339 F HN -0.089 nan 8.300 nan 0.000 0.497 340 L N -0.093 121.354 121.223 0.373 0.000 2.240 340 L HA -0.107 4.234 4.340 0.001 0.000 0.211 340 L C 2.184 179.258 176.870 0.339 0.000 1.106 340 L CA 1.047 56.098 54.840 0.352 0.000 0.793 340 L CB -0.433 41.812 42.059 0.309 0.000 0.927 340 L HN 0.079 nan 8.230 nan 0.000 0.446 341 E N -0.273 120.080 120.200 0.254 0.000 2.110 341 E HA -0.177 4.173 4.350 0.001 0.000 0.193 341 E C 1.866 178.552 176.600 0.143 0.000 0.988 341 E CA 1.074 57.639 56.400 0.275 0.000 0.804 341 E CB 0.079 29.883 29.700 0.173 0.000 0.745 341 E HN 0.450 nan 8.360 nan 0.000 0.458 342 L N 0.423 121.654 121.223 0.014 0.000 2.640 342 L HA 0.175 4.516 4.340 0.001 0.000 0.230 342 L C 0.974 177.713 176.870 -0.218 0.000 1.123 342 L CA -0.554 54.222 54.840 -0.106 0.000 0.900 342 L CB 0.224 42.204 42.059 -0.133 0.000 1.146 342 L HN 0.253 nan 8.230 nan 0.000 0.484 343 C N -0.402 118.756 119.300 -0.237 0.000 2.422 343 C HA 0.529 4.989 4.460 0.001 0.000 0.364 343 C C 0.540 175.425 174.990 -0.176 0.000 1.251 343 C CA -0.941 57.902 59.018 -0.292 0.000 2.441 343 C CB 0.842 28.413 27.740 -0.283 0.000 2.393 343 C HN 0.298 nan 8.230 nan 0.000 0.606 344 R N 1.974 122.359 120.500 -0.193 0.000 2.409 344 R HA 0.440 4.781 4.340 0.001 0.000 0.313 344 R C -2.548 173.614 176.300 -0.229 0.000 0.953 344 R CA -1.252 54.736 56.100 -0.186 0.000 0.849 344 R CB 1.777 31.965 30.300 -0.186 0.000 1.171 344 R HN 0.581 nan 8.270 nan 0.000 0.458 345 P HA -0.021 nan 4.420 nan 0.000 0.272 345 P C -0.591 176.545 177.300 -0.273 0.000 1.254 345 P CA -0.019 63.009 63.100 -0.121 0.000 0.795 345 P CB 0.432 32.131 31.700 -0.000 0.000 1.022 346 F N -0.618 119.344 119.950 0.020 0.000 2.515 346 F HA 0.143 4.671 4.527 0.001 0.000 0.353 346 F C 0.169 175.960 175.800 -0.015 0.000 1.213 346 F CA -0.442 57.562 58.000 0.007 0.000 1.194 346 F CB -0.598 38.410 39.000 0.015 0.000 1.488 346 F HN -0.141 nan 8.300 nan 0.000 0.619 347 V N 3.861 123.814 119.914 0.066 0.000 2.446 347 V HA 0.009 4.130 4.120 0.001 0.000 0.276 347 V C 1.120 177.240 176.094 0.042 0.000 1.030 347 V CA -0.063 62.255 62.300 0.029 0.000 1.033 347 V CB 0.825 32.640 31.823 -0.014 0.000 0.993 347 V HN 0.706 nan 8.190 nan 0.000 0.477 348 K N 2.907 123.326 120.400 0.031 0.000 2.354 348 K HA 0.258 4.578 4.320 0.001 0.000 0.194 348 K C 0.409 177.011 176.600 0.004 0.000 1.038 348 K CA 0.253 56.552 56.287 0.020 0.000 1.052 348 K CB 0.460 32.967 32.500 0.012 0.000 0.861 348 K HN 0.525 nan 8.250 nan 0.000 0.535 349 K N 0.529 120.928 120.400 -0.003 0.000 2.513 349 K HA 0.097 4.417 4.320 0.001 0.000 0.251 349 K C -0.828 175.765 176.600 -0.013 0.000 0.939 349 K CA -0.431 55.851 56.287 -0.008 0.000 0.793 349 K CB 1.882 34.375 32.500 -0.011 0.000 1.241 349 K HN -0.156 nan 8.250 nan 0.000 0.431 350 D N 0.612 121.004 120.400 -0.013 0.000 2.077 350 D HA -0.084 4.556 4.640 0.001 0.000 0.196 350 D C 0.718 177.007 176.300 -0.017 0.000 0.986 350 D CA 1.088 55.077 54.000 -0.018 0.000 0.829 350 D CB -0.079 40.711 40.800 -0.016 0.000 0.983 350 D HN 0.201 nan 8.370 nan 0.000 0.453 351 V N 1.271 121.176 119.914 -0.014 0.000 2.583 351 V HA 0.305 4.426 4.120 0.001 0.000 0.287 351 V C 0.267 176.353 176.094 -0.013 0.000 1.051 351 V CA -0.476 61.816 62.300 -0.013 0.000 1.010 351 V CB 1.149 32.965 31.823 -0.010 0.000 0.988 351 V HN 0.025 nan 8.190 nan 0.000 0.478 352 L N 3.782 124.997 121.223 -0.013 0.000 2.385 352 L HA 0.556 4.896 4.340 0.001 0.000 0.273 352 L C 0.002 176.865 176.870 -0.012 0.000 0.990 352 L CA -0.407 54.424 54.840 -0.014 0.000 0.821 352 L CB 2.440 44.489 42.059 -0.017 0.000 1.279 352 L HN 0.787 nan 8.230 nan 0.000 0.412 353 S N 1.959 117.651 115.700 -0.012 0.000 2.508 353 S HA 0.724 5.195 4.470 0.001 0.000 0.284 353 S C -0.400 174.193 174.600 -0.011 0.000 1.192 353 S CA -0.765 57.429 58.200 -0.010 0.000 1.070 353 S CB 2.102 65.296 63.200 -0.009 0.000 1.004 353 S HN 0.286 nan 8.310 nan 0.000 0.493 354 V N 2.549 122.459 119.914 -0.007 0.000 2.524 354 V HA 0.368 4.488 4.120 0.001 0.000 0.297 354 V C -0.448 175.646 176.094 -0.000 0.000 1.035 354 V CA -0.597 61.698 62.300 -0.008 0.000 0.867 354 V CB 1.760 33.578 31.823 -0.009 0.000 1.004 354 V HN 0.883 nan 8.190 nan 0.000 0.426 355 E N 4.408 124.606 120.200 -0.003 0.000 2.249 355 E HA 0.508 4.858 4.350 0.001 0.000 0.280 355 E C -0.959 175.648 176.600 0.013 0.000 1.016 355 E CA -0.375 56.029 56.400 0.007 0.000 0.830 355 E CB 2.033 31.734 29.700 0.002 0.000 1.081 355 E HN 0.525 nan 8.360 nan 0.000 0.395 356 I N 5.581 126.177 120.570 0.043 0.000 2.390 356 I HA 0.317 4.487 4.170 0.001 0.000 0.283 356 I C 0.073 176.254 176.117 0.106 0.000 1.016 356 I CA -0.435 60.913 61.300 0.080 0.000 1.151 356 I CB 0.773 38.864 38.000 0.150 0.000 1.293 356 I HN 0.245 nan 8.210 nan 0.000 0.458 357 I N 5.142 125.763 120.570 0.086 0.000 2.488 357 I HA 0.423 4.594 4.170 0.001 0.000 0.299 357 I C 0.356 176.589 176.117 0.194 0.000 0.984 357 I CA -0.231 61.131 61.300 0.104 0.000 1.250 357 I CB 1.845 39.879 38.000 0.057 0.000 1.389 357 I HN 0.572 nan 8.210 nan 0.000 0.488 358 S N 3.733 119.551 115.700 0.197 0.000 2.564 358 S HA 0.758 5.228 4.470 0.001 0.000 0.274 358 S C -1.059 173.638 174.600 0.161 0.000 1.124 358 S CA -0.742 57.612 58.200 0.256 0.000 0.869 358 S CB 2.139 65.494 63.200 0.258 0.000 1.105 358 S HN 0.287 nan 8.310 nan 0.000 0.472 359 V N 2.402 122.415 119.914 0.165 0.000 2.419 359 V HA 0.767 4.888 4.120 0.001 0.000 0.287 359 V C -0.724 175.485 176.094 0.193 0.000 1.017 359 V CA -0.340 62.040 62.300 0.132 0.000 0.844 359 V CB 0.982 32.835 31.823 0.051 0.000 1.011 359 V HN 1.150 nan 8.190 nan 0.000 0.429 360 S N 2.633 118.456 115.700 0.205 0.000 2.536 360 S HA 0.543 5.014 4.470 0.001 0.000 0.271 360 S C 0.339 175.055 174.600 0.193 0.000 1.134 360 S CA -0.713 57.624 58.200 0.228 0.000 0.897 360 S CB 1.807 65.100 63.200 0.156 0.000 1.094 360 S HN 0.194 nan 8.310 nan 0.000 0.473 361 V N -0.132 119.869 119.914 0.144 0.000 2.548 361 V HA -0.009 4.112 4.120 0.001 0.000 0.249 361 V C 0.222 176.347 176.094 0.053 0.000 1.055 361 V CA 1.276 63.607 62.300 0.053 0.000 1.065 361 V CB -0.904 30.873 31.823 -0.077 0.000 0.681 361 V HN 0.807 nan 8.190 nan 0.000 0.462 362 Y N 0.372 120.665 120.300 -0.011 0.000 2.352 362 Y HA 0.331 4.881 4.550 0.001 0.000 0.326 362 Y C 1.480 177.385 175.900 0.008 0.000 1.166 362 Y CA -0.644 57.452 58.100 -0.007 0.000 1.182 362 Y CB 1.346 39.798 38.460 -0.013 0.000 1.216 362 Y HN -0.150 nan 8.280 nan 0.000 0.474 363 K N 1.521 121.944 120.400 0.038 0.000 2.076 363 K HA -0.025 4.295 4.320 0.001 0.000 0.204 363 K C 0.364 177.005 176.600 0.068 0.000 1.051 363 K CA 1.194 57.496 56.287 0.025 0.000 0.949 363 K CB 0.171 32.652 32.500 -0.033 0.000 0.726 363 K HN 0.498 nan 8.250 nan 0.000 0.443 364 K N 0.960 121.426 120.400 0.110 0.000 2.792 364 K HA 0.238 4.558 4.320 0.001 0.000 0.207 364 K C -0.239 176.424 176.600 0.106 0.000 1.103 364 K CA -0.139 56.203 56.287 0.091 0.000 1.048 364 K CB 0.584 33.129 32.500 0.075 0.000 0.777 364 K HN -0.034 nan 8.250 nan 0.000 0.468 365 L N 2.176 123.469 121.223 0.117 0.000 2.869 365 L HA -0.019 4.321 4.340 0.001 0.000 0.240 365 L C 0.029 176.925 176.870 0.042 0.000 1.448 365 L CA 1.015 55.906 54.840 0.085 0.000 1.158 365 L CB -0.318 41.785 42.059 0.074 0.000 1.497 365 L HN 0.260 nan 8.230 nan 0.000 0.447 366 E N -0.985 119.249 120.200 0.057 0.000 3.085 366 E HA -0.071 4.279 4.350 0.001 0.000 0.179 366 E C 0.674 177.297 176.600 0.038 0.000 0.951 366 E CA -0.191 56.199 56.400 -0.016 0.000 1.326 366 E CB 0.172 29.845 29.700 -0.045 0.000 1.043 366 E HN 0.589 nan 8.360 nan 0.000 0.457 367 W N 2.805 124.087 121.300 -0.031 0.000 2.358 367 W HA -0.149 4.511 4.660 0.001 0.000 0.303 367 W C 1.695 178.211 176.519 -0.006 0.000 1.208 367 W CA 1.708 59.044 57.345 -0.015 0.000 1.274 367 W CB 0.092 29.547 29.460 -0.009 0.000 1.138 367 W HN -0.075 nan 8.180 nan 0.000 0.515 368 R N 0.531 120.645 120.500 -0.643 0.000 2.075 368 R HA 0.008 4.349 4.340 0.001 0.000 0.226 368 R C 2.177 178.265 176.300 -0.352 0.000 1.114 368 R CA 1.225 56.833 56.100 -0.820 0.000 0.972 368 R CB -0.829 29.054 30.300 -0.695 0.000 0.869 368 R HN 0.197 nan 8.270 nan 0.000 0.437 369 K N 1.121 121.355 120.400 -0.276 0.000 2.034 369 K HA -0.174 4.147 4.320 0.001 0.000 0.214 369 K C 2.046 178.588 176.600 -0.097 0.000 1.051 369 K CA 1.850 57.968 56.287 -0.281 0.000 0.931 369 K CB -0.053 32.127 32.500 -0.533 0.000 0.715 369 K HN 0.269 nan 8.250 nan 0.000 0.446 370 E N 0.530 120.670 120.200 -0.099 0.000 2.152 370 E HA -0.171 4.179 4.350 0.001 0.000 0.192 370 E C 1.947 178.541 176.600 -0.009 0.000 0.983 370 E CA 0.741 57.123 56.400 -0.029 0.000 0.818 370 E CB -0.100 29.598 29.700 -0.004 0.000 0.758 370 E HN 0.429 nan 8.360 nan 0.000 0.467 371 E N 0.806 120.980 120.200 -0.044 0.000 2.001 371 E HA -0.172 4.179 4.350 0.001 0.000 0.193 371 E C 2.013 178.626 176.600 0.021 0.000 0.994 371 E CA 0.579 56.965 56.400 -0.024 0.000 0.815 371 E CB -0.289 29.345 29.700 -0.111 0.000 0.770 371 E HN 0.131 nan 8.360 nan 0.000 0.453 372 F N 1.875 121.759 119.950 -0.109 0.000 2.082 372 F HA -0.319 4.208 4.527 0.001 0.000 0.298 372 F C 2.105 177.919 175.800 0.024 0.000 1.091 372 F CA 1.865 59.840 58.000 -0.041 0.000 1.230 372 F CB -0.635 38.343 39.000 -0.037 0.000 0.983 372 F HN 0.069 nan 8.300 nan 0.000 0.485 373 L N 0.095 121.232 121.223 -0.143 0.000 1.956 373 L HA -0.310 4.031 4.340 0.001 0.000 0.216 373 L C 2.636 179.408 176.870 -0.164 0.000 1.073 373 L CA 2.279 57.009 54.840 -0.182 0.000 0.762 373 L CB -0.742 41.329 42.059 0.021 0.000 0.889 373 L HN 0.073 nan 8.230 nan 0.000 0.433 374 K N -0.514 119.842 120.400 -0.073 0.000 2.147 374 K HA -0.195 4.125 4.320 0.001 0.000 0.205 374 K C 2.014 178.590 176.600 -0.040 0.000 1.049 374 K CA 1.245 57.508 56.287 -0.040 0.000 0.936 374 K CB 0.010 32.507 32.500 -0.006 0.000 0.722 374 K HN 0.250 nan 8.250 nan 0.000 0.446 375 E N 0.580 120.746 120.200 -0.057 0.000 2.110 375 E HA -0.157 4.194 4.350 0.001 0.000 0.193 375 E C 1.773 178.354 176.600 -0.031 0.000 0.988 375 E CA 0.932 57.320 56.400 -0.021 0.000 0.804 375 E CB 0.025 29.722 29.700 -0.004 0.000 0.745 375 E HN 0.182 nan 8.360 nan 0.000 0.458 376 L N 0.295 121.408 121.223 -0.183 0.000 2.017 376 L HA -0.203 4.137 4.340 0.001 0.000 0.208 376 L C 2.305 179.166 176.870 -0.016 0.000 1.073 376 L CA 1.097 55.837 54.840 -0.168 0.000 0.745 376 L CB -0.414 41.400 42.059 -0.408 0.000 0.894 376 L HN 0.186 nan 8.230 nan 0.000 0.432 377 I N -0.318 120.224 120.570 -0.047 0.000 2.127 377 I HA -0.319 3.851 4.170 0.001 0.000 0.241 377 I C 2.369 178.496 176.117 0.016 0.000 1.075 377 I CA 1.452 62.745 61.300 -0.012 0.000 1.334 377 I CB -0.544 37.444 38.000 -0.020 0.000 1.040 377 I HN 0.337 nan 8.210 nan 0.000 0.405 378 N N 1.375 120.090 118.700 0.026 0.000 2.018 378 N HA -0.292 4.448 4.740 0.001 0.000 0.196 378 N C 1.878 177.421 175.510 0.056 0.000 1.043 378 N CA 1.820 54.892 53.050 0.036 0.000 0.856 378 N CB -0.529 37.986 38.487 0.047 0.000 1.042 378 N HN 0.312 nan 8.380 nan 0.000 0.423 379 F N 1.002 120.931 119.950 -0.035 0.000 2.120 379 F HA -0.133 4.395 4.527 0.001 0.000 0.300 379 F C 1.947 177.731 175.800 -0.027 0.000 1.095 379 F CA 1.314 59.300 58.000 -0.025 0.000 1.249 379 F CB -0.177 38.811 39.000 -0.020 0.000 0.995 379 F HN 0.091 nan 8.300 nan 0.000 0.480 380 L N -0.099 121.163 121.223 0.066 0.000 2.093 380 L HA -0.198 4.143 4.340 0.001 0.000 0.208 380 L C 2.447 179.247 176.870 -0.116 0.000 1.085 380 L CA 1.393 56.212 54.840 -0.035 0.000 0.755 380 L CB -0.976 41.109 42.059 0.044 0.000 0.904 380 L HN 0.155 nan 8.230 nan 0.000 0.435 381 K N 0.491 120.843 120.400 -0.080 0.000 2.015 381 K HA -0.201 4.120 4.320 0.001 0.000 0.216 381 K C 1.646 178.168 176.600 -0.131 0.000 1.052 381 K CA 1.570 57.808 56.287 -0.081 0.000 0.937 381 K CB -0.272 32.197 32.500 -0.051 0.000 0.719 381 K HN 0.321 nan 8.250 nan 0.000 0.446 382 N N 1.087 119.680 118.700 -0.179 0.000 2.661 382 N HA -0.153 4.588 4.740 0.001 0.000 0.196 382 N C 0.623 175.966 175.510 -0.279 0.000 1.129 382 N CA 1.059 53.972 53.050 -0.227 0.000 0.938 382 N CB 0.116 38.441 38.487 -0.270 0.000 0.966 382 N HN 0.336 nan 8.380 nan 0.000 0.450 383 K N -1.717 118.525 120.400 -0.264 0.000 2.481 383 K HA 0.205 4.526 4.320 0.001 0.000 0.210 383 K C 0.795 177.310 176.600 -0.140 0.000 1.161 383 K CA 0.372 56.522 56.287 -0.228 0.000 1.023 383 K CB 1.649 33.984 32.500 -0.274 0.000 0.971 383 K HN 0.057 nan 8.250 nan 0.000 0.577 384 G N 2.035 110.767 108.800 -0.114 0.000 2.145 384 G HA2 -0.132 3.828 3.960 0.001 0.000 0.145 384 G HA3 -0.132 3.828 3.960 0.001 0.000 0.145 384 G C -0.296 174.569 174.900 -0.059 0.000 1.017 384 G CA -0.589 44.465 45.100 -0.077 0.000 0.682 384 G HN 0.150 nan 8.290 nan 0.000 0.504 385 I N 1.051 121.584 120.570 -0.062 0.000 2.439 385 I HA 0.379 4.550 4.170 0.001 0.000 0.283 385 I C -0.061 176.036 176.117 -0.034 0.000 1.023 385 I CA -0.685 60.590 61.300 -0.041 0.000 1.100 385 I CB 1.740 39.720 38.000 -0.034 0.000 1.238 385 I HN -0.048 nan 8.210 nan 0.000 0.445 386 K N 6.695 127.080 120.400 -0.026 0.000 2.183 386 K HA 0.610 4.931 4.320 0.001 0.000 0.274 386 K C -0.966 175.625 176.600 -0.015 0.000 1.009 386 K CA -0.786 55.489 56.287 -0.020 0.000 0.888 386 K CB 1.529 34.018 32.500 -0.017 0.000 1.078 386 K HN 0.386 nan 8.250 nan 0.000 0.459 387 L N -0.346 120.870 121.223 -0.013 0.000 2.317 387 L HA 0.530 4.871 4.340 0.001 0.000 0.281 387 L C -0.566 176.300 176.870 -0.007 0.000 1.024 387 L CA -0.344 54.490 54.840 -0.011 0.000 0.810 387 L CB 1.138 43.190 42.059 -0.012 0.000 1.240 387 L HN 0.358 nan 8.230 nan 0.000 0.427 388 K N 4.415 124.812 120.400 -0.006 0.000 2.347 388 K HA 0.493 4.814 4.320 0.001 0.000 0.262 388 K C -0.773 175.828 176.600 0.002 0.000 1.052 388 K CA -0.410 55.876 56.287 -0.002 0.000 0.946 388 K CB 0.696 33.194 32.500 -0.003 0.000 1.220 388 K HN 0.702 nan 8.250 nan 0.000 0.450 389 I N 4.425 124.999 120.570 0.007 0.000 2.593 389 I HA -0.095 4.075 4.170 0.001 0.000 0.304 389 I C 1.425 177.549 176.117 0.013 0.000 1.176 389 I CA 0.220 61.528 61.300 0.013 0.000 1.533 389 I CB -0.174 37.839 38.000 0.023 0.000 1.492 389 I HN 0.466 nan 8.210 nan 0.000 0.704 390 K N 3.708 124.113 120.400 0.009 0.000 2.160 390 K HA -0.082 4.239 4.320 0.001 0.000 0.206 390 K C 0.939 177.546 176.600 0.012 0.000 1.047 390 K CA 1.034 57.326 56.287 0.008 0.000 0.930 390 K CB 0.046 32.548 32.500 0.003 0.000 0.720 390 K HN 0.846 nan 8.250 nan 0.000 0.450 391 G N 0.511 109.322 108.800 0.018 0.000 2.617 391 G HA2 0.167 4.128 3.960 0.001 0.000 0.305 391 G HA3 0.167 4.128 3.960 0.001 0.000 0.305 391 G C -1.621 173.300 174.900 0.034 0.000 1.436 391 G CA -0.856 44.258 45.100 0.023 0.000 1.036 391 G HN -0.081 nan 8.290 nan 0.000 0.589 392 K N 0.768 121.193 120.400 0.041 0.000 2.144 392 K HA 0.682 5.002 4.320 0.001 0.000 0.270 392 K C -0.041 176.589 176.600 0.050 0.000 1.005 392 K CA -0.491 55.830 56.287 0.057 0.000 0.932 392 K CB 1.440 33.978 32.500 0.062 0.000 1.021 392 K HN 0.556 nan 8.250 nan 0.000 0.462 393 S N 1.904 117.641 115.700 0.061 0.000 2.538 393 S HA 0.451 4.922 4.470 0.001 0.000 0.288 393 S C -0.924 173.716 174.600 0.066 0.000 1.108 393 S CA -0.977 57.256 58.200 0.054 0.000 0.971 393 S CB 1.190 64.418 63.200 0.046 0.000 1.041 393 S HN 0.478 nan 8.310 nan 0.000 0.483 394 L N 2.950 124.206 121.223 0.056 0.000 2.319 394 L HA 0.594 4.934 4.340 0.001 0.000 0.281 394 L C -1.470 175.432 176.870 0.055 0.000 1.005 394 L CA -0.851 54.026 54.840 0.061 0.000 0.828 394 L CB 0.763 42.852 42.059 0.051 0.000 1.227 394 L HN 0.718 nan 8.230 nan 0.000 0.415 395 I N 5.762 126.371 120.570 0.065 0.000 2.297 395 I HA 0.236 4.407 4.170 0.001 0.000 0.291 395 I C -0.412 175.749 176.117 0.074 0.000 1.033 395 I CA -0.116 61.220 61.300 0.060 0.000 1.253 395 I CB 1.015 39.048 38.000 0.056 0.000 1.396 395 I HN 0.399 nan 8.210 nan 0.000 0.476 396 L N 6.981 128.241 121.223 0.060 0.000 2.265 396 L HA 0.670 5.011 4.340 0.001 0.000 0.288 396 L C 0.291 177.210 176.870 0.081 0.000 1.058 396 L CA -0.188 54.692 54.840 0.066 0.000 0.809 396 L CB 0.874 42.949 42.059 0.026 0.000 1.179 396 L HN 0.668 nan 8.230 nan 0.000 0.429 397 A N 3.090 125.999 122.820 0.149 0.000 2.380 397 A HA 0.570 4.890 4.320 0.001 0.000 0.315 397 A C 0.173 177.878 177.584 0.202 0.000 1.101 397 A CA -0.606 51.540 52.037 0.183 0.000 0.771 397 A CB 1.668 20.794 19.000 0.210 0.000 1.287 397 A HN 0.777 nan 8.150 nan 0.000 0.436 398 Q N 0.110 119.995 119.800 0.142 0.000 2.178 398 Q HA 0.117 4.458 4.340 0.001 0.000 0.195 398 Q C 0.073 176.118 176.000 0.076 0.000 0.960 398 Q CA 1.373 57.207 55.803 0.052 0.000 0.843 398 Q CB -0.125 28.624 28.738 0.019 0.000 0.927 398 Q HN 0.800 nan 8.270 nan 0.000 0.487 399 T N -0.523 114.129 114.554 0.165 0.000 2.807 399 T HA 0.396 4.747 4.350 0.001 0.000 0.277 399 T C 0.735 175.564 174.700 0.215 0.000 1.006 399 T CA -0.837 61.387 62.100 0.206 0.000 1.006 399 T CB 1.729 70.614 68.868 0.028 0.000 1.274 399 T HN -0.029 nan 8.240 nan 0.000 0.569 400 R N 0.429 120.954 120.500 0.042 0.000 2.070 400 R HA -0.051 4.289 4.340 0.001 0.000 0.233 400 R C 2.435 178.623 176.300 -0.187 0.000 1.137 400 R CA 1.540 57.522 56.100 -0.197 0.000 0.945 400 R CB -0.247 29.912 30.300 -0.235 0.000 0.845 400 R HN 0.703 nan 8.270 nan 0.000 0.430 401 E N 0.415 120.538 120.200 -0.129 0.000 2.097 401 E HA -0.220 4.130 4.350 0.001 0.000 0.196 401 E C 1.984 178.526 176.600 -0.095 0.000 1.000 401 E CA 1.219 57.552 56.400 -0.111 0.000 0.804 401 E CB 0.101 29.769 29.700 -0.052 0.000 0.740 401 E HN 0.302 nan 8.360 nan 0.000 0.454 402 E N -0.176 119.994 120.200 -0.050 0.000 2.085 402 E HA -0.225 4.126 4.350 0.001 0.000 0.194 402 E C 2.017 178.590 176.600 -0.046 0.000 0.994 402 E CA 1.109 57.496 56.400 -0.021 0.000 0.801 402 E CB -0.132 29.583 29.700 0.024 0.000 0.743 402 E HN 0.253 nan 8.360 nan 0.000 0.453 403 A N 1.413 124.178 122.820 -0.092 0.000 1.897 403 A HA -0.166 4.155 4.320 0.001 0.000 0.215 403 A C 2.035 179.517 177.584 -0.171 0.000 1.181 403 A CA 1.321 53.276 52.037 -0.137 0.000 0.620 403 A CB -0.242 18.580 19.000 -0.296 0.000 0.821 403 A HN 0.065 nan 8.150 nan 0.000 0.443 404 K N 0.019 120.232 120.400 -0.312 0.000 2.020 404 K HA -0.207 4.114 4.320 0.001 0.000 0.212 404 K C 1.977 178.469 176.600 -0.181 0.000 1.050 404 K CA 1.935 57.906 56.287 -0.528 0.000 0.929 404 K CB -0.243 31.733 32.500 -0.873 0.000 0.714 404 K HN 0.623 nan 8.250 nan 0.000 0.443 405 E N 0.557 120.687 120.200 -0.116 0.000 2.070 405 E HA -0.230 4.120 4.350 0.001 0.000 0.197 405 E C 1.936 178.547 176.600 0.019 0.000 1.004 405 E CA 1.458 57.846 56.400 -0.021 0.000 0.805 405 E CB 0.004 29.693 29.700 -0.018 0.000 0.744 405 E HN 0.194 nan 8.360 nan 0.000 0.451 406 K N 0.240 120.646 120.400 0.010 0.000 2.288 406 K HA -0.029 4.291 4.320 0.001 0.000 0.201 406 K C 2.014 178.645 176.600 0.052 0.000 1.048 406 K CA 0.363 56.667 56.287 0.029 0.000 0.956 406 K CB 0.114 32.628 32.500 0.024 0.000 0.746 406 K HN 0.054 nan 8.250 nan 0.000 0.461 407 L N 0.800 122.069 121.223 0.077 0.000 2.056 407 L HA -0.157 4.183 4.340 0.001 0.000 0.207 407 L C 2.048 178.993 176.870 0.124 0.000 1.078 407 L CA 1.073 55.986 54.840 0.122 0.000 0.749 407 L CB -0.399 41.791 42.059 0.218 0.000 0.901 407 L HN 0.178 nan 8.230 nan 0.000 0.433 408 I N -0.453 120.214 120.570 0.160 0.000 2.208 408 I HA -0.204 3.967 4.170 0.001 0.000 0.245 408 I C -0.399 175.756 176.117 0.064 0.000 1.097 408 I CA 1.214 62.591 61.300 0.128 0.000 1.363 408 I CB -2.161 35.935 38.000 0.160 0.000 1.051 408 I HN 0.248 nan 8.210 nan 0.000 0.413 409 P HA -0.060 nan 4.420 nan 0.000 0.217 409 P C 2.065 179.383 177.300 0.029 0.000 1.151 409 P CA 1.003 64.124 63.100 0.036 0.000 0.828 409 P CB -0.010 31.710 31.700 0.034 0.000 0.788 410 V N -0.481 119.454 119.914 0.035 0.000 2.323 410 V HA -0.192 3.929 4.120 0.001 0.000 0.244 410 V C 2.380 178.485 176.094 0.019 0.000 1.041 410 V CA 1.516 63.834 62.300 0.029 0.000 1.025 410 V CB -1.047 30.799 31.823 0.037 0.000 0.656 410 V HN 0.007 nan 8.190 nan 0.000 0.451 411 I N 0.412 120.992 120.570 0.017 0.000 2.202 411 I HA -0.220 3.950 4.170 0.001 0.000 0.242 411 I C 2.589 178.698 176.117 -0.012 0.000 1.091 411 I CA 1.495 62.791 61.300 -0.006 0.000 1.368 411 I CB -0.595 37.389 38.000 -0.027 0.000 1.058 411 I HN 0.345 nan 8.210 nan 0.000 0.410 412 N N 1.585 120.281 118.700 -0.006 0.000 2.073 412 N HA -0.287 4.454 4.740 0.001 0.000 0.199 412 N C 1.727 177.233 175.510 -0.006 0.000 1.023 412 N CA 1.911 54.957 53.050 -0.007 0.000 0.880 412 N CB -0.131 38.358 38.487 0.004 0.000 1.052 412 N HN 0.318 nan 8.380 nan 0.000 0.449 413 K N 0.326 120.726 120.400 0.000 0.000 2.015 413 K HA -0.113 4.207 4.320 0.001 0.000 0.216 413 K C 0.766 177.364 176.600 -0.004 0.000 1.052 413 K CA 0.879 57.167 56.287 0.001 0.000 0.937 413 K CB -0.490 32.014 32.500 0.007 0.000 0.719 413 K HN 0.327 nan 8.250 nan 0.000 0.446 414 I N 2.304 122.870 120.570 -0.006 0.000 3.015 414 I HA -0.227 3.943 4.170 0.001 0.000 0.309 414 I C 1.171 177.278 176.117 -0.016 0.000 1.229 414 I CA 0.599 61.893 61.300 -0.011 0.000 1.430 414 I CB 0.088 38.080 38.000 -0.014 0.000 1.347 414 I HN 0.210 nan 8.210 nan 0.000 0.544 415 K N 3.702 124.094 120.400 -0.014 0.000 2.344 415 K HA 0.180 4.501 4.320 0.001 0.000 0.229 415 K C -0.198 176.390 176.600 -0.019 0.000 1.112 415 K CA 0.105 56.382 56.287 -0.016 0.000 0.850 415 K CB 0.512 33.005 32.500 -0.011 0.000 1.311 415 K HN 0.555 nan 8.250 nan 0.000 0.448 416 D N 1.155 121.546 120.400 -0.015 0.000 2.414 416 D HA 0.336 4.976 4.640 0.001 0.000 0.232 416 D C -1.401 174.891 176.300 -0.014 0.000 1.070 416 D CA -0.061 53.930 54.000 -0.016 0.000 0.839 416 D CB 2.054 42.847 40.800 -0.013 0.000 1.079 416 D HN -0.154 nan 8.370 nan 0.000 0.521 417 V N 2.419 122.322 119.914 -0.018 0.000 2.924 417 V HA -0.002 4.118 4.120 0.001 0.000 0.300 417 V C -0.103 175.979 176.094 -0.019 0.000 1.227 417 V CA -0.584 61.706 62.300 -0.017 0.000 0.954 417 V CB 2.755 34.568 31.823 -0.017 0.000 1.055 417 V HN 0.290 nan 8.190 nan 0.000 0.429 418 D N 2.339 122.729 120.400 -0.017 0.000 2.183 418 D HA 0.126 4.767 4.640 0.001 0.000 0.203 418 D C 0.017 176.305 176.300 -0.020 0.000 0.969 418 D CA 1.428 55.417 54.000 -0.018 0.000 0.842 418 D CB 0.338 41.127 40.800 -0.019 0.000 0.957 418 D HN 0.230 nan 8.370 nan 0.000 0.484 419 L N -0.670 120.539 121.223 -0.023 0.000 2.556 419 L HA 0.397 4.738 4.340 0.001 0.000 0.257 419 L C -1.828 175.023 176.870 -0.032 0.000 0.955 419 L CA -0.769 54.054 54.840 -0.028 0.000 0.850 419 L CB 2.384 44.424 42.059 -0.032 0.000 1.398 419 L HN -0.326 nan 8.230 nan 0.000 0.412 420 V N 5.178 125.067 119.914 -0.041 0.000 2.443 420 V HA 0.495 4.615 4.120 0.001 0.000 0.293 420 V C -0.240 175.804 176.094 -0.083 0.000 1.021 420 V CA -0.374 61.896 62.300 -0.050 0.000 0.848 420 V CB 1.570 33.364 31.823 -0.047 0.000 0.998 420 V HN 0.553 nan 8.190 nan 0.000 0.424 421 I N 5.500 126.007 120.570 -0.104 0.000 2.291 421 I HA 0.346 4.516 4.170 0.001 0.000 0.290 421 I C -0.295 175.667 176.117 -0.259 0.000 1.050 421 I CA -0.470 60.707 61.300 -0.205 0.000 1.245 421 I CB 1.419 39.278 38.000 -0.235 0.000 1.405 421 I HN 0.310 nan 8.210 nan 0.000 0.478 422 V N 6.927 126.691 119.914 -0.249 0.000 2.439 422 V HA 0.354 4.474 4.120 0.001 0.000 0.282 422 V C -0.148 175.789 176.094 -0.261 0.000 1.039 422 V CA -0.488 61.712 62.300 -0.168 0.000 0.913 422 V CB 1.213 32.976 31.823 -0.100 0.000 0.983 422 V HN 0.343 nan 8.190 nan 0.000 0.460 423 F N 4.397 124.371 119.950 0.039 0.000 2.422 423 F HA 0.638 5.166 4.527 0.001 0.000 0.333 423 F C 0.106 175.936 175.800 0.051 0.000 1.095 423 F CA -0.538 57.493 58.000 0.052 0.000 1.038 423 F CB 1.345 40.381 39.000 0.060 0.000 1.156 423 F HN 0.161 nan 8.300 nan 0.000 0.483 424 L N 3.396 124.772 121.223 0.255 0.000 2.406 424 L HA 0.357 4.698 4.340 0.001 0.000 0.272 424 L C -0.442 176.541 176.870 0.188 0.000 0.980 424 L CA -0.846 54.102 54.840 0.180 0.000 0.831 424 L CB 1.808 43.952 42.059 0.141 0.000 1.253 424 L HN 0.528 nan 8.230 nan 0.000 0.406 425 E N 2.406 122.730 120.200 0.207 0.000 2.331 425 E HA 0.165 4.516 4.350 0.001 0.000 0.272 425 E C -0.610 176.171 176.600 0.301 0.000 1.036 425 E CA -0.301 56.245 56.400 0.243 0.000 0.864 425 E CB 1.600 31.478 29.700 0.298 0.000 1.035 425 E HN 0.480 nan 8.360 nan 0.000 0.408 426 E N 1.634 121.975 120.200 0.235 0.000 2.316 426 E HA 0.067 4.417 4.350 0.001 0.000 0.275 426 E C -0.948 175.867 176.600 0.358 0.000 1.029 426 E CA -0.054 56.486 56.400 0.234 0.000 0.871 426 E CB 0.449 30.226 29.700 0.129 0.000 1.022 426 E HN 0.234 nan 8.360 nan 0.000 0.418 427 Y N 4.396 124.673 120.300 -0.039 0.000 2.404 427 Y HA 0.171 4.722 4.550 0.001 0.000 0.344 427 Y C -1.477 174.337 175.900 -0.143 0.000 0.970 427 Y CA -2.944 55.099 58.100 -0.095 0.000 1.180 427 Y CB 0.797 39.179 38.460 -0.131 0.000 1.138 427 Y HN 0.533 nan 8.280 nan 0.000 0.510 428 P HA -0.078 nan 4.420 nan 0.000 0.222 428 P C -0.317 176.925 177.300 -0.096 0.000 1.153 428 P CA 0.646 63.724 63.100 -0.038 0.000 0.798 428 P CB 0.462 32.136 31.700 -0.043 0.000 0.796 429 K N 0.718 121.025 120.400 -0.155 0.000 2.485 429 K HA 0.195 4.515 4.320 0.001 0.000 0.277 429 K C -0.007 176.402 176.600 -0.317 0.000 0.990 429 K CA -0.043 56.128 56.287 -0.193 0.000 0.994 429 K CB 0.559 32.949 32.500 -0.184 0.000 0.906 429 K HN -0.124 nan 8.250 nan 0.000 0.488 430 V N 2.227 122.054 119.914 -0.145 0.000 2.347 430 V HA 0.069 4.189 4.120 0.001 0.000 0.280 430 V C -0.375 175.741 176.094 0.038 0.000 1.021 430 V CA -0.744 61.578 62.300 0.036 0.000 0.847 430 V CB 1.233 33.119 31.823 0.106 0.000 0.990 430 V HN 0.665 nan 8.190 nan 0.000 0.444 431 D N 7.089 127.649 120.400 0.265 0.000 2.396 431 D HA 0.373 5.013 4.640 0.001 0.000 0.225 431 D C -1.376 174.901 176.300 -0.038 0.000 1.121 431 D CA -1.638 52.355 54.000 -0.010 0.000 0.853 431 D CB 1.896 42.643 40.800 -0.088 0.000 1.043 431 D HN 0.256 nan 8.370 nan 0.000 0.500 432 P HA -0.243 nan 4.420 nan 0.000 0.219 432 P C 0.392 177.755 177.300 0.104 0.000 1.151 432 P CA 1.596 64.735 63.100 0.065 0.000 0.850 432 P CB -0.054 31.740 31.700 0.157 0.000 0.784 433 Y N -3.115 117.208 120.300 0.038 0.000 2.673 433 Y HA 0.416 4.967 4.550 0.001 0.000 0.278 433 Y C 0.850 176.744 175.900 -0.009 0.000 1.127 433 Y CA -0.786 57.319 58.100 0.008 0.000 1.261 433 Y CB -0.931 37.542 38.460 0.021 0.000 1.412 433 Y HN -0.416 nan 8.280 nan 0.000 0.496 434 K N 3.352 123.576 120.400 -0.292 0.000 2.513 434 K HA -0.043 4.277 4.320 0.001 0.000 0.275 434 K C -0.167 176.351 176.600 -0.135 0.000 1.025 434 K CA 0.761 56.976 56.287 -0.120 0.000 1.125 434 K CB 0.161 32.612 32.500 -0.081 0.000 0.843 434 K HN 0.570 nan 8.250 nan 0.000 0.486 435 S N 4.575 120.219 115.700 -0.093 0.000 2.430 435 S HA 0.167 4.638 4.470 0.001 0.000 0.282 435 S C 0.138 174.692 174.600 -0.076 0.000 1.186 435 S CA -0.764 57.322 58.200 -0.190 0.000 1.060 435 S CB -0.103 63.028 63.200 -0.115 0.000 0.966 435 S HN 0.559 nan 8.310 nan 0.000 0.501 436 F N 0.695 120.582 119.950 -0.104 0.000 2.764 436 F HA 0.476 5.004 4.527 0.001 0.000 0.310 436 F C -0.349 175.433 175.800 -0.030 0.000 1.124 436 F CA -1.737 56.214 58.000 -0.083 0.000 1.252 436 F CB -0.832 38.103 39.000 -0.109 0.000 1.010 436 F HN 0.325 nan 8.300 nan 0.000 0.518 437 L N 2.413 123.694 121.223 0.097 0.000 2.894 437 L HA -0.153 4.188 4.340 0.001 0.000 0.286 437 L C 1.627 178.633 176.870 0.226 0.000 1.077 437 L CA 0.270 55.213 54.840 0.172 0.000 1.070 437 L CB -0.096 42.038 42.059 0.126 0.000 1.470 437 L HN 0.605 nan 8.230 nan 0.000 0.452 438 L N 3.380 124.745 121.223 0.236 0.000 1.982 438 L HA -0.208 4.133 4.340 0.001 0.000 0.206 438 L C 2.182 179.199 176.870 0.244 0.000 1.078 438 L CA 1.193 56.132 54.840 0.165 0.000 0.749 438 L CB -0.262 41.843 42.059 0.077 0.000 0.894 438 L HN 0.642 nan 8.230 nan 0.000 0.436 439 Y N 1.175 121.543 120.300 0.113 0.000 2.100 439 Y HA -0.484 4.066 4.550 0.001 0.000 0.267 439 Y C 2.099 178.067 175.900 0.113 0.000 1.250 439 Y CA 2.633 60.797 58.100 0.107 0.000 1.105 439 Y CB -0.374 38.146 38.460 0.100 0.000 0.924 439 Y HN 0.412 nan 8.280 nan 0.000 0.508 440 D N -1.129 119.488 120.400 0.361 0.000 2.178 440 D HA -0.157 4.484 4.640 0.001 0.000 0.202 440 D C 1.779 178.159 176.300 0.135 0.000 0.974 440 D CA 1.287 55.428 54.000 0.234 0.000 0.841 440 D CB -0.377 40.545 40.800 0.203 0.000 0.953 440 D HN 0.483 nan 8.370 nan 0.000 0.478 441 F N 0.388 120.358 119.950 0.034 0.000 2.206 441 F HA -0.123 4.405 4.527 0.001 0.000 0.298 441 F C 1.775 177.557 175.800 -0.029 0.000 1.090 441 F CA 0.823 58.824 58.000 0.000 0.000 1.323 441 F CB -0.058 38.946 39.000 0.007 0.000 1.028 441 F HN -0.185 nan 8.300 nan 0.000 0.492 442 V N 0.943 120.904 119.914 0.077 0.000 2.270 442 V HA -0.252 3.869 4.120 0.001 0.000 0.245 442 V C 2.512 178.491 176.094 -0.193 0.000 1.043 442 V CA 1.843 64.091 62.300 -0.088 0.000 1.014 442 V CB -0.727 31.074 31.823 -0.036 0.000 0.645 442 V HN 0.186 nan 8.190 nan 0.000 0.447 443 K N -0.140 120.148 120.400 -0.187 0.000 2.286 443 K HA -0.168 4.152 4.320 0.001 0.000 0.203 443 K C 2.243 178.768 176.600 -0.125 0.000 1.045 443 K CA 1.231 57.426 56.287 -0.153 0.000 0.935 443 K CB -0.296 32.133 32.500 -0.119 0.000 0.737 443 K HN 0.322 nan 8.250 nan 0.000 0.460 444 R N 0.457 120.853 120.500 -0.174 0.000 2.140 444 R HA -0.032 4.308 4.340 0.001 0.000 0.213 444 R C 1.537 177.693 176.300 -0.240 0.000 1.059 444 R CA 0.609 56.593 56.100 -0.193 0.000 1.000 444 R CB 0.328 30.515 30.300 -0.187 0.000 0.910 444 R HN 0.109 nan 8.270 nan 0.000 0.455 445 E N 0.597 120.584 120.200 -0.356 0.000 2.158 445 E HA -0.102 4.249 4.350 0.001 0.000 0.191 445 E C 2.051 178.542 176.600 -0.182 0.000 0.982 445 E CA 0.673 56.878 56.400 -0.325 0.000 0.823 445 E CB 0.061 29.476 29.700 -0.475 0.000 0.766 445 E HN 0.319 nan 8.360 nan 0.000 0.468 446 L N 0.432 121.567 121.223 -0.147 0.000 2.109 446 L HA -0.072 4.268 4.340 0.001 0.000 0.207 446 L C 2.565 179.413 176.870 -0.037 0.000 1.086 446 L CA 0.469 55.260 54.840 -0.082 0.000 0.760 446 L CB -0.310 41.708 42.059 -0.068 0.000 0.910 446 L HN 0.069 nan 8.230 nan 0.000 0.437 447 L N -0.233 120.977 121.223 -0.022 0.000 2.042 447 L HA -0.279 4.061 4.340 0.001 0.000 0.210 447 L C 2.750 179.620 176.870 -0.000 0.000 1.076 447 L CA 1.486 56.358 54.840 0.053 0.000 0.749 447 L CB -0.344 41.721 42.059 0.011 0.000 0.893 447 L HN 0.245 nan 8.230 nan 0.000 0.432 448 K N -0.024 120.336 120.400 -0.067 0.000 2.020 448 K HA -0.198 4.122 4.320 0.001 0.000 0.212 448 K C 1.695 178.247 176.600 -0.080 0.000 1.050 448 K CA 1.380 57.620 56.287 -0.078 0.000 0.929 448 K CB -0.051 32.391 32.500 -0.096 0.000 0.714 448 K HN 0.193 nan 8.250 nan 0.000 0.443 449 K N 0.383 120.733 120.400 -0.083 0.000 2.551 449 K HA 0.037 4.357 4.320 0.001 0.000 0.192 449 K C 0.568 177.089 176.600 -0.131 0.000 1.027 449 K CA 0.296 56.530 56.287 -0.089 0.000 1.059 449 K CB -0.222 32.235 32.500 -0.071 0.000 0.831 449 K HN 0.347 nan 8.250 nan 0.000 0.508 450 M N -0.045 119.452 119.600 -0.172 0.000 2.461 450 M HA -0.228 4.253 4.480 0.001 0.000 0.203 450 M C -0.718 175.391 176.300 -0.319 0.000 0.428 450 M CA 0.820 55.862 55.300 -0.431 0.000 0.509 450 M CB -1.972 30.279 32.600 -0.581 0.000 1.851 450 M HN 0.059 nan 8.290 nan 0.000 0.834 451 I N 0.531 121.041 120.570 -0.100 0.000 2.362 451 I HA 0.395 4.566 4.170 0.001 0.000 0.289 451 I C -1.855 174.288 176.117 0.043 0.000 0.994 451 I CA -2.089 59.189 61.300 -0.038 0.000 1.158 451 I CB 1.604 39.579 38.000 -0.041 0.000 1.315 451 I HN -0.167 nan 8.210 nan 0.000 0.451 452 P HA -0.040 nan 4.420 nan 0.000 0.263 452 P C -0.840 176.464 177.300 0.007 0.000 1.175 452 P CA 0.210 63.342 63.100 0.053 0.000 0.761 452 P CB 0.373 32.076 31.700 0.006 0.000 0.794 453 S N 1.836 117.536 115.700 0.000 0.000 2.500 453 S HA 0.601 5.071 4.470 0.001 0.000 0.301 453 S C -0.820 173.751 174.600 -0.048 0.000 1.092 453 S CA -0.774 57.403 58.200 -0.039 0.000 1.030 453 S CB 1.896 65.064 63.200 -0.055 0.000 1.031 453 S HN 0.295 nan 8.310 nan 0.000 0.483 454 Q N 2.429 122.183 119.800 -0.076 0.000 2.558 454 Q HA 0.479 4.819 4.340 0.001 0.000 0.252 454 Q C -1.564 174.359 176.000 -0.129 0.000 1.015 454 Q CA -0.451 55.309 55.803 -0.070 0.000 0.720 454 Q CB 1.074 29.780 28.738 -0.053 0.000 1.215 454 Q HN 0.705 nan 8.270 nan 0.000 0.500 455 V N 5.403 125.225 119.914 -0.152 0.000 2.488 455 V HA 0.359 4.480 4.120 0.001 0.000 0.277 455 V C 0.124 176.197 176.094 -0.034 0.000 1.046 455 V CA -0.114 62.062 62.300 -0.206 0.000 0.986 455 V CB 0.720 32.226 31.823 -0.529 0.000 0.989 455 V HN 0.678 nan 8.190 nan 0.000 0.475 456 I N 5.685 126.215 120.570 -0.065 0.000 2.410 456 I HA 0.348 4.519 4.170 0.001 0.000 0.286 456 I C -0.319 175.884 176.117 0.143 0.000 1.009 456 I CA -0.418 60.901 61.300 0.032 0.000 1.111 456 I CB 1.646 39.617 38.000 -0.048 0.000 1.262 456 I HN 0.412 nan 8.210 nan 0.000 0.443 457 L N 6.670 127.991 121.223 0.164 0.000 2.477 457 L HA 0.107 4.447 4.340 0.001 0.000 0.272 457 L C 1.425 178.358 176.870 0.106 0.000 1.157 457 L CA 0.183 55.114 54.840 0.151 0.000 0.889 457 L CB 0.026 42.155 42.059 0.117 0.000 1.158 457 L HN 0.549 nan 8.230 nan 0.000 0.473 458 N N 1.911 120.688 118.700 0.127 0.000 2.094 458 N HA -0.200 4.540 4.740 0.001 0.000 0.191 458 N C 1.793 177.308 175.510 0.008 0.000 1.023 458 N CA 1.062 54.153 53.050 0.067 0.000 0.857 458 N CB -0.185 38.347 38.487 0.076 0.000 1.013 458 N HN 0.477 nan 8.380 nan 0.000 0.426 459 R N 0.324 120.836 120.500 0.020 0.000 2.136 459 R HA -0.200 4.141 4.340 0.001 0.000 0.242 459 R C 1.538 177.809 176.300 -0.049 0.000 1.131 459 R CA 2.253 58.347 56.100 -0.010 0.000 0.937 459 R CB -0.809 29.493 30.300 0.003 0.000 0.863 459 R HN 0.217 nan 8.270 nan 0.000 0.435 460 T N 1.680 116.201 114.554 -0.054 0.000 2.680 460 T HA -0.198 4.152 4.350 0.001 0.000 0.268 460 T C 1.728 176.324 174.700 -0.172 0.000 1.033 460 T CA 1.794 63.827 62.100 -0.111 0.000 1.152 460 T CB -0.180 68.631 68.868 -0.094 0.000 0.859 460 T HN 0.270 nan 8.240 nan 0.000 0.452 461 L N -0.159 120.963 121.223 -0.169 0.000 2.478 461 L HA 0.037 4.377 4.340 0.001 0.000 0.223 461 L C 2.421 179.176 176.870 -0.191 0.000 1.140 461 L CA 0.961 55.660 54.840 -0.236 0.000 0.842 461 L CB -0.261 41.651 42.059 -0.246 0.000 0.953 461 L HN 0.255 nan 8.230 nan 0.000 0.452 462 K N -0.542 119.786 120.400 -0.121 0.000 2.168 462 K HA 0.030 4.350 4.320 0.001 0.000 0.201 462 K C 1.590 178.147 176.600 -0.071 0.000 1.049 462 K CA 0.617 56.863 56.287 -0.067 0.000 0.974 462 K CB 0.135 32.620 32.500 -0.026 0.000 0.792 462 K HN 0.175 nan 8.250 nan 0.000 0.463 463 N N 0.699 119.340 118.700 -0.099 0.000 2.305 463 N HA -0.013 4.727 4.740 0.001 0.000 0.179 463 N C 0.224 175.644 175.510 -0.149 0.000 1.019 463 N CA 0.667 53.657 53.050 -0.101 0.000 0.869 463 N CB 0.325 38.756 38.487 -0.094 0.000 1.000 463 N HN 0.154 nan 8.380 nan 0.000 0.431 464 E N 0.398 120.461 120.200 -0.228 0.000 2.232 464 E HA 0.206 4.557 4.350 0.001 0.000 0.265 464 E C -0.544 175.864 176.600 -0.320 0.000 1.001 464 E CA -0.766 55.419 56.400 -0.360 0.000 0.870 464 E CB 1.037 30.365 29.700 -0.620 0.000 1.175 464 E HN 0.012 nan 8.360 nan 0.000 0.407 465 N N 2.563 121.064 118.700 -0.331 0.000 2.468 465 N HA -0.028 4.713 4.740 0.001 0.000 0.265 465 N C 0.852 176.335 175.510 -0.046 0.000 1.199 465 N CA 0.329 53.310 53.050 -0.115 0.000 0.928 465 N CB 0.644 39.140 38.487 0.014 0.000 1.059 465 N HN 0.546 nan 8.380 nan 0.000 0.467 466 L N 3.361 124.584 121.223 0.000 0.000 2.056 466 L HA -0.166 4.175 4.340 0.001 0.000 0.207 466 L C 2.366 179.342 176.870 0.177 0.000 1.078 466 L CA 1.132 56.008 54.840 0.060 0.000 0.749 466 L CB -0.349 41.745 42.059 0.059 0.000 0.901 466 L HN 0.623 nan 8.230 nan 0.000 0.433 467 K N 0.583 121.080 120.400 0.162 0.000 2.001 467 K HA -0.283 4.037 4.320 0.001 0.000 0.214 467 K C 2.156 178.900 176.600 0.241 0.000 1.050 467 K CA 2.107 58.492 56.287 0.163 0.000 0.934 467 K CB -0.472 32.111 32.500 0.139 0.000 0.718 467 K HN 0.178 nan 8.250 nan 0.000 0.443 468 F N 0.565 120.571 119.950 0.092 0.000 2.085 468 F HA -0.333 4.194 4.527 0.001 0.000 0.299 468 F C 1.624 177.506 175.800 0.137 0.000 1.096 468 F CA 1.544 59.641 58.000 0.161 0.000 1.227 468 F CB -0.174 38.914 39.000 0.147 0.000 0.983 468 F HN -0.104 nan 8.300 nan 0.000 0.482 469 V N 0.851 121.174 119.914 0.682 0.000 2.379 469 V HA -0.272 3.849 4.120 0.001 0.000 0.245 469 V C 2.337 178.612 176.094 0.303 0.000 1.044 469 V CA 1.674 64.227 62.300 0.422 0.000 1.036 469 V CB -0.642 31.191 31.823 0.018 0.000 0.664 469 V HN 0.422 nan 8.190 nan 0.000 0.453 470 L N -0.598 120.820 121.223 0.326 0.000 1.951 470 L HA -0.270 4.070 4.340 0.001 0.000 0.222 470 L C 2.423 179.220 176.870 -0.121 0.000 1.078 470 L CA 2.098 57.008 54.840 0.116 0.000 0.778 470 L CB -0.528 41.471 42.059 -0.099 0.000 0.893 470 L HN 0.243 nan 8.230 nan 0.000 0.436 471 L N -0.656 120.441 121.223 -0.210 0.000 1.997 471 L HA -0.378 3.962 4.340 0.001 0.000 0.227 471 L C 2.415 179.027 176.870 -0.430 0.000 1.087 471 L CA 2.001 56.672 54.840 -0.283 0.000 0.797 471 L CB -1.065 40.951 42.059 -0.071 0.000 0.902 471 L HN 0.478 nan 8.230 nan 0.000 0.441 472 N N 0.019 118.263 118.700 -0.759 0.000 2.037 472 N HA -0.193 4.547 4.740 0.001 0.000 0.196 472 N C 1.579 176.849 175.510 -0.400 0.000 1.034 472 N CA 2.083 54.488 53.050 -1.076 0.000 0.861 472 N CB -0.401 37.619 38.487 -0.779 0.000 1.039 472 N HN 0.129 nan 8.380 nan 0.000 0.427 473 V N 0.523 120.347 119.914 -0.150 0.000 2.488 473 V HA -0.035 4.085 4.120 0.001 0.000 0.246 473 V C 2.374 178.444 176.094 -0.041 0.000 1.046 473 V CA 1.448 63.734 62.300 -0.023 0.000 1.053 473 V CB -1.041 30.863 31.823 0.135 0.000 0.679 473 V HN 0.509 nan 8.190 nan 0.000 0.458 474 A N -0.079 122.693 122.820 -0.079 0.000 1.849 474 A HA -0.335 3.985 4.320 0.001 0.000 0.217 474 A C 2.207 179.799 177.584 0.013 0.000 1.202 474 A CA 2.376 54.389 52.037 -0.040 0.000 0.629 474 A CB -0.735 18.177 19.000 -0.147 0.000 0.834 474 A HN 0.611 nan 8.150 nan 0.000 0.447 475 E N -0.509 119.695 120.200 0.006 0.000 2.045 475 E HA -0.350 4.001 4.350 0.001 0.000 0.212 475 E C 2.214 178.842 176.600 0.045 0.000 1.039 475 E CA 2.050 58.512 56.400 0.102 0.000 0.860 475 E CB -0.326 29.446 29.700 0.120 0.000 0.776 475 E HN 0.740 nan 8.360 nan 0.000 0.467 476 Q N -0.120 119.686 119.800 0.011 0.000 2.012 476 Q HA -0.252 4.089 4.340 0.001 0.000 0.211 476 Q C 2.392 178.356 176.000 -0.059 0.000 1.009 476 Q CA 2.367 58.161 55.803 -0.014 0.000 0.866 476 Q CB -0.471 28.260 28.738 -0.011 0.000 0.945 476 Q HN 0.258 nan 8.270 nan 0.000 0.414 477 V N 1.169 121.059 119.914 -0.041 0.000 2.220 477 V HA -0.326 3.794 4.120 0.001 0.000 0.250 477 V C 2.355 178.407 176.094 -0.069 0.000 1.056 477 V CA 2.152 64.424 62.300 -0.046 0.000 1.016 477 V CB -0.718 31.093 31.823 -0.020 0.000 0.639 477 V HN 0.343 nan 8.190 nan 0.000 0.446 478 L N -0.200 120.993 121.223 -0.050 0.000 1.997 478 L HA -0.269 4.071 4.340 0.001 0.000 0.216 478 L C 2.725 179.487 176.870 -0.180 0.000 1.074 478 L CA 1.979 56.776 54.840 -0.072 0.000 0.763 478 L CB -1.030 41.017 42.059 -0.020 0.000 0.890 478 L HN 0.410 nan 8.230 nan 0.000 0.434 479 A N 0.699 123.347 122.820 -0.288 0.000 1.873 479 A HA -0.258 4.063 4.320 0.001 0.000 0.218 479 A C 2.294 179.662 177.584 -0.360 0.000 1.193 479 A CA 2.295 54.023 52.037 -0.516 0.000 0.629 479 A CB -0.556 18.027 19.000 -0.696 0.000 0.826 479 A HN 0.480 nan 8.150 nan 0.000 0.447 480 K N -0.943 119.300 120.400 -0.263 0.000 2.113 480 K HA -0.138 4.183 4.320 0.001 0.000 0.208 480 K C 1.767 178.264 176.600 -0.171 0.000 1.047 480 K CA 1.728 57.872 56.287 -0.239 0.000 0.928 480 K CB -0.802 31.603 32.500 -0.158 0.000 0.716 480 K HN 0.409 nan 8.250 nan 0.000 0.446 481 T N -0.221 114.252 114.554 -0.136 0.000 2.995 481 T HA 0.028 4.378 4.350 0.001 0.000 0.269 481 T C 1.285 175.941 174.700 -0.074 0.000 1.091 481 T CA 1.213 63.262 62.100 -0.084 0.000 1.128 481 T CB 0.011 68.839 68.868 -0.067 0.000 0.891 481 T HN 0.652 nan 8.240 nan 0.000 0.492 482 G N 1.524 110.262 108.800 -0.104 0.000 2.168 482 G HA2 -0.173 3.787 3.960 0.001 0.000 0.197 482 G HA3 -0.173 3.787 3.960 0.001 0.000 0.197 482 G C 0.059 174.919 174.900 -0.066 0.000 0.997 482 G CA -0.445 44.608 45.100 -0.078 0.000 0.658 482 G HN 0.489 nan 8.290 nan 0.000 0.513 483 N N 0.860 119.510 118.700 -0.084 0.000 2.818 483 N HA 0.287 5.028 4.740 0.001 0.000 0.301 483 N C 0.426 175.908 175.510 -0.046 0.000 1.821 483 N CA -0.384 52.647 53.050 -0.032 0.000 0.930 483 N CB 0.709 39.182 38.487 -0.023 0.000 1.263 483 N HN 0.370 nan 8.380 nan 0.000 0.487 484 I N 2.450 122.982 120.570 -0.064 0.000 3.015 484 I HA -0.118 4.052 4.170 0.001 0.000 0.309 484 I C -0.831 175.348 176.117 0.102 0.000 1.229 484 I CA -0.469 60.755 61.300 -0.126 0.000 1.430 484 I CB 0.601 38.577 38.000 -0.040 0.000 1.347 484 I HN 0.116 nan 8.210 nan 0.000 0.544 485 P HA -0.084 nan 4.420 nan 0.000 0.225 485 P C -0.726 176.915 177.300 0.568 0.000 1.156 485 P CA 1.228 64.512 63.100 0.306 0.000 0.787 485 P CB 0.092 32.060 31.700 0.448 0.000 0.802 486 Y N -3.058 117.549 120.300 0.513 0.000 2.620 486 Y HA 0.693 5.243 4.550 0.001 0.000 0.331 486 Y C -1.183 175.018 175.900 0.501 0.000 1.173 486 Y CA -1.714 56.716 58.100 0.549 0.000 1.076 486 Y CB 0.794 39.514 38.460 0.433 0.000 1.336 486 Y HN -0.315 nan 8.280 nan 0.000 0.459 487 K N 2.722 123.436 120.400 0.524 0.000 2.464 487 K HA 0.624 4.944 4.320 0.001 0.000 0.253 487 K C -1.715 175.024 176.600 0.232 0.000 0.933 487 K CA -0.839 55.604 56.287 0.260 0.000 0.801 487 K CB 2.072 34.618 32.500 0.077 0.000 1.271 487 K HN 0.896 nan 8.250 nan 0.000 0.430 488 L N 4.301 125.604 121.223 0.133 0.000 2.485 488 L HA 0.058 4.398 4.340 0.001 0.000 0.275 488 L C 1.660 178.586 176.870 0.092 0.000 1.207 488 L CA 0.305 55.201 54.840 0.094 0.000 0.855 488 L CB 0.628 42.711 42.059 0.040 0.000 1.114 488 L HN 0.817 nan 8.230 nan 0.000 0.485 489 K N 2.039 122.487 120.400 0.080 0.000 2.025 489 K HA -0.009 4.312 4.320 0.001 0.000 0.207 489 K C 0.443 177.077 176.600 0.056 0.000 1.049 489 K CA 1.254 57.585 56.287 0.072 0.000 0.933 489 K CB 0.304 32.837 32.500 0.056 0.000 0.714 489 K HN 0.647 nan 8.250 nan 0.000 0.438 490 E N -0.231 119.995 120.200 0.042 0.000 2.392 490 E HA 0.323 4.674 4.350 0.001 0.000 0.279 490 E C -1.577 175.048 176.600 0.042 0.000 0.964 490 E CA -0.636 55.790 56.400 0.044 0.000 0.777 490 E CB 1.727 31.445 29.700 0.030 0.000 1.249 490 E HN 0.113 nan 8.360 nan 0.000 0.449 491 I N 1.954 122.563 120.570 0.064 0.000 2.465 491 I HA 0.239 4.409 4.170 0.001 0.000 0.291 491 I C 0.179 176.352 176.117 0.094 0.000 1.014 491 I CA -0.709 60.630 61.300 0.065 0.000 1.093 491 I CB 1.881 39.910 38.000 0.048 0.000 1.267 491 I HN 0.427 nan 8.210 nan 0.000 0.431 492 E N 4.166 124.412 120.200 0.076 0.000 2.465 492 E HA 0.338 4.688 4.350 0.001 0.000 0.260 492 E C 0.325 176.977 176.600 0.087 0.000 0.980 492 E CA 0.877 57.315 56.400 0.064 0.000 0.927 492 E CB 0.578 30.307 29.700 0.049 0.000 0.934 492 E HN 0.890 nan 8.360 nan 0.000 0.459 493 G N 3.467 112.303 108.800 0.061 0.000 2.498 493 G HA2 -0.172 3.788 3.960 0.001 0.000 0.651 493 G HA3 -0.172 3.788 3.960 0.001 0.000 0.651 493 G C -0.991 173.938 174.900 0.049 0.000 1.284 493 G CA -0.704 44.427 45.100 0.050 0.000 0.950 493 G HN 0.475 nan 8.290 nan 0.000 0.511 494 K N 0.100 120.513 120.400 0.020 0.000 2.762 494 K HA 0.547 4.868 4.320 0.001 0.000 0.180 494 K C -0.300 176.286 176.600 -0.023 0.000 1.067 494 K CA -0.420 55.877 56.287 0.017 0.000 0.973 494 K CB 1.681 34.190 32.500 0.015 0.000 1.290 494 K HN 0.434 nan 8.250 nan 0.000 0.604 495 V N 1.359 121.244 119.914 -0.049 0.000 2.547 495 V HA 0.124 4.245 4.120 0.001 0.000 0.299 495 V C 0.526 176.521 176.094 -0.164 0.000 1.040 495 V CA -0.493 61.673 62.300 -0.224 0.000 0.913 495 V CB 1.740 33.206 31.823 -0.595 0.000 0.992 495 V HN 0.563 nan 8.190 nan 0.000 0.449 496 D N 2.487 122.783 120.400 -0.174 0.000 2.240 496 D HA 0.259 4.899 4.640 0.001 0.000 0.206 496 D C 0.502 176.768 176.300 -0.058 0.000 0.963 496 D CA 1.039 55.039 54.000 0.000 0.000 0.863 496 D CB 0.969 41.833 40.800 0.107 0.000 0.973 496 D HN 0.630 nan 8.370 nan 0.000 0.501 497 A N 0.369 122.935 122.820 -0.424 0.000 2.491 497 A HA 0.502 4.822 4.320 0.001 0.000 0.293 497 A C -1.594 175.622 177.584 -0.614 0.000 1.047 497 A CA -0.621 51.081 52.037 -0.558 0.000 0.735 497 A CB 0.550 18.864 19.000 -1.143 0.000 1.281 497 A HN -0.066 nan 8.150 nan 0.000 0.398 498 F N 1.645 121.447 119.950 -0.246 0.000 2.415 498 F HA 0.592 5.119 4.527 0.001 0.000 0.348 498 F C 0.201 175.840 175.800 -0.268 0.000 1.119 498 F CA -0.482 57.329 58.000 -0.316 0.000 1.069 498 F CB 2.253 41.062 39.000 -0.318 0.000 1.124 498 F HN 0.296 nan 8.300 nan 0.000 0.472 499 V N 2.772 122.551 119.914 -0.224 0.000 2.483 499 V HA 0.637 4.758 4.120 0.001 0.000 0.297 499 V C 0.074 176.068 176.094 -0.167 0.000 1.027 499 V CA -0.805 61.394 62.300 -0.169 0.000 0.855 499 V CB 1.678 33.354 31.823 -0.244 0.000 0.995 499 V HN 0.874 nan 8.190 nan 0.000 0.424 500 G N 4.873 113.626 108.800 -0.077 0.000 2.335 500 G HA2 0.731 4.691 3.960 0.001 0.000 0.316 500 G HA3 0.731 4.691 3.960 0.001 0.000 0.316 500 G C -0.986 173.841 174.900 -0.121 0.000 1.129 500 G CA -0.337 44.715 45.100 -0.081 0.000 0.899 500 G HN 0.595 nan 8.290 nan 0.000 0.448 501 I N 1.499 122.025 120.570 -0.073 0.000 2.608 501 I HA 0.445 4.615 4.170 0.001 0.000 0.295 501 I C -1.497 174.607 176.117 -0.022 0.000 1.049 501 I CA -0.751 60.520 61.300 -0.049 0.000 1.063 501 I CB 2.739 40.758 38.000 0.032 0.000 1.248 501 I HN 0.403 nan 8.210 nan 0.000 0.424 502 D N 6.481 126.883 120.400 0.004 0.000 2.927 502 D HA 0.532 5.172 4.640 0.001 0.000 0.219 502 D C -1.419 174.908 176.300 0.045 0.000 1.248 502 D CA -0.185 53.835 54.000 0.033 0.000 0.861 502 D CB 2.006 42.847 40.800 0.068 0.000 1.677 502 D HN 0.272 nan 8.370 nan 0.000 0.511 503 I N 1.959 122.529 120.570 0.001 0.000 2.468 503 I HA 0.306 4.476 4.170 0.001 0.000 0.285 503 I C -0.510 175.594 176.117 -0.022 0.000 1.039 503 I CA -0.565 60.722 61.300 -0.021 0.000 1.074 503 I CB 2.105 40.062 38.000 -0.071 0.000 1.228 503 I HN 0.121 nan 8.210 nan 0.000 0.436 504 S N 6.239 121.941 115.700 0.004 0.000 2.520 504 S HA 0.458 4.928 4.470 0.001 0.000 0.324 504 S C -0.312 174.305 174.600 0.029 0.000 1.069 504 S CA -0.808 57.398 58.200 0.011 0.000 1.121 504 S CB 0.613 63.821 63.200 0.014 0.000 0.971 504 S HN 0.444 nan 8.310 nan 0.000 0.463 505 R N 2.675 123.202 120.500 0.045 0.000 2.254 505 R HA 0.422 4.762 4.340 0.001 0.000 0.318 505 R C -0.501 175.843 176.300 0.074 0.000 1.031 505 R CA -0.458 55.683 56.100 0.069 0.000 0.905 505 R CB 0.859 31.224 30.300 0.108 0.000 1.050 505 R HN 0.511 nan 8.270 nan 0.000 0.456 506 I N 2.317 122.928 120.570 0.069 0.000 2.452 506 I HA 0.021 4.191 4.170 0.001 0.000 0.287 506 I C 0.271 176.430 176.117 0.070 0.000 1.079 506 I CA 0.829 62.169 61.300 0.066 0.000 1.387 506 I CB 1.079 39.115 38.000 0.061 0.000 1.404 506 I HN 0.520 nan 8.210 nan 0.000 0.522 507 T N 6.414 121.008 114.554 0.067 0.000 2.876 507 T HA 0.541 4.892 4.350 0.001 0.000 0.289 507 T C -0.600 174.129 174.700 0.048 0.000 1.014 507 T CA -0.691 61.447 62.100 0.063 0.000 0.986 507 T CB 1.521 70.433 68.868 0.074 0.000 1.021 507 T HN 0.464 nan 8.240 nan 0.000 0.458 508 R N 2.718 123.241 120.500 0.039 0.000 2.797 508 R HA 0.347 4.688 4.340 0.001 0.000 0.274 508 R C -0.356 175.957 176.300 0.022 0.000 1.652 508 R CA -0.211 55.905 56.100 0.026 0.000 1.175 508 R CB -0.016 30.292 30.300 0.014 0.000 1.283 508 R HN 0.876 nan 8.270 nan 0.000 0.513 509 D N 1.416 121.830 120.400 0.023 0.000 3.923 509 D HA -0.204 4.436 4.640 0.001 0.000 0.159 509 D C 0.088 176.398 176.300 0.017 0.000 1.003 509 D CA 1.874 55.885 54.000 0.017 0.000 1.071 509 D CB -0.801 40.006 40.800 0.011 0.000 0.567 509 D HN 0.614 nan 8.370 nan 0.000 0.615 510 G N 1.277 110.085 108.800 0.014 0.000 3.102 510 G HA2 0.354 4.314 3.960 0.001 0.000 0.264 510 G HA3 0.354 4.314 3.960 0.001 0.000 0.264 510 G C 0.029 174.943 174.900 0.024 0.000 0.788 510 G CA 0.403 45.512 45.100 0.014 0.000 2.029 510 G HN 0.216 nan 8.290 nan 0.000 0.608 511 K N 1.236 121.656 120.400 0.032 0.000 2.897 511 K HA 0.097 4.417 4.320 0.001 0.000 0.243 511 K C -0.625 176.010 176.600 0.057 0.000 1.189 511 K CA -0.406 55.906 56.287 0.042 0.000 1.032 511 K CB 1.010 33.531 32.500 0.035 0.000 1.302 511 K HN 0.137 nan 8.250 nan 0.000 0.568 512 T N 1.825 116.421 114.554 0.071 0.000 3.162 512 T HA 0.070 4.421 4.350 0.001 0.000 0.316 512 T C 1.481 176.245 174.700 0.106 0.000 1.182 512 T CA -0.261 61.892 62.100 0.089 0.000 1.015 512 T CB 0.444 69.371 68.868 0.097 0.000 1.089 512 T HN 0.123 nan 8.240 nan 0.000 0.646 513 V N 1.457 121.427 119.914 0.094 0.000 2.649 513 V HA 0.133 4.253 4.120 0.001 0.000 0.248 513 V C 1.120 177.287 176.094 0.123 0.000 1.054 513 V CA 0.557 62.916 62.300 0.098 0.000 1.073 513 V CB -0.467 31.399 31.823 0.071 0.000 0.699 513 V HN 0.619 nan 8.190 nan 0.000 0.463 514 N N -0.776 117.991 118.700 0.113 0.000 2.610 514 N HA 0.716 5.456 4.740 0.001 0.000 0.264 514 N C -1.586 173.985 175.510 0.101 0.000 1.348 514 N CA 0.291 53.413 53.050 0.119 0.000 0.819 514 N CB 2.323 40.867 38.487 0.095 0.000 1.521 514 N HN 0.283 nan 8.380 nan 0.000 0.497 515 A N 0.494 123.377 122.820 0.104 0.000 2.565 515 A HA 0.542 4.862 4.320 0.001 0.000 0.298 515 A C -1.705 175.940 177.584 0.101 0.000 1.062 515 A CA -0.461 51.619 52.037 0.072 0.000 0.723 515 A CB 0.745 19.756 19.000 0.019 0.000 1.282 515 A HN 0.315 nan 8.150 nan 0.000 0.400 516 V N 1.174 121.135 119.914 0.079 0.000 2.547 516 V HA 0.835 4.955 4.120 0.001 0.000 0.299 516 V C 0.361 176.509 176.094 0.091 0.000 1.040 516 V CA 0.277 62.642 62.300 0.108 0.000 0.913 516 V CB 1.738 33.610 31.823 0.080 0.000 0.992 516 V HN 1.718 nan 8.190 nan 0.000 0.449 517 A N 4.788 127.693 122.820 0.142 0.000 2.374 517 A HA 0.841 5.161 4.320 0.001 0.000 0.305 517 A C -1.463 176.274 177.584 0.255 0.000 1.053 517 A CA -0.391 51.718 52.037 0.121 0.000 0.726 517 A CB 1.246 20.240 19.000 -0.009 0.000 1.229 517 A HN 0.769 nan 8.150 nan 0.000 0.431 518 F N 2.212 122.184 119.950 0.036 0.000 2.496 518 F HA 0.648 5.176 4.527 0.001 0.000 0.341 518 F C -0.517 175.308 175.800 0.043 0.000 1.134 518 F CA -0.293 57.735 58.000 0.046 0.000 0.968 518 F CB 1.943 40.931 39.000 -0.020 0.000 1.205 518 F HN 0.406 nan 8.300 nan 0.000 0.436 519 T N 6.336 120.763 114.554 -0.212 0.000 2.792 519 T HA 0.451 4.802 4.350 0.001 0.000 0.280 519 T C -0.781 173.721 174.700 -0.330 0.000 0.990 519 T CA -0.731 61.237 62.100 -0.219 0.000 0.960 519 T CB 1.179 70.082 68.868 0.060 0.000 0.939 519 T HN 0.460 nan 8.240 nan 0.000 0.439 520 K N 3.025 123.223 120.400 -0.336 0.000 2.323 520 K HA 0.609 4.930 4.320 0.001 0.000 0.259 520 K C -0.891 175.729 176.600 0.033 0.000 0.947 520 K CA -0.589 55.598 56.287 -0.166 0.000 0.819 520 K CB 2.018 34.425 32.500 -0.155 0.000 1.109 520 K HN 0.478 nan 8.250 nan 0.000 0.429 521 I N 3.786 124.343 120.570 -0.021 0.000 2.389 521 I HA 0.366 4.536 4.170 0.001 0.000 0.288 521 I C -1.079 175.023 176.117 -0.026 0.000 0.999 521 I CA -0.724 60.593 61.300 0.029 0.000 1.129 521 I CB 0.785 38.796 38.000 0.018 0.000 1.288 521 I HN 0.392 nan 8.210 nan 0.000 0.444 522 F N 4.226 124.183 119.950 0.013 0.000 2.520 522 F HA 0.363 4.891 4.527 0.001 0.000 0.322 522 F C 0.511 176.386 175.800 0.126 0.000 1.103 522 F CA -1.039 57.015 58.000 0.089 0.000 0.926 522 F CB 1.299 40.354 39.000 0.092 0.000 1.154 522 F HN 0.497 nan 8.300 nan 0.000 0.453 523 N N -0.548 118.358 118.700 0.344 0.000 2.263 523 N HA 0.060 4.801 4.740 0.001 0.000 0.239 523 N C 1.147 176.861 175.510 0.339 0.000 1.317 523 N CA 0.260 53.519 53.050 0.348 0.000 0.909 523 N CB 0.394 39.037 38.487 0.260 0.000 1.171 523 N HN 0.573 nan 8.380 nan 0.000 0.492 524 S N -1.124 114.742 115.700 0.278 0.000 2.493 524 S HA -0.145 4.325 4.470 0.001 0.000 0.243 524 S C 0.747 175.494 174.600 0.244 0.000 0.991 524 S CA 0.888 59.251 58.200 0.272 0.000 0.957 524 S CB -0.397 62.908 63.200 0.175 0.000 0.756 524 S HN 0.649 nan 8.310 nan 0.000 0.521 525 K N 0.316 120.825 120.400 0.183 0.000 2.564 525 K HA 0.392 4.713 4.320 0.001 0.000 0.205 525 K C 0.560 177.219 176.600 0.097 0.000 1.053 525 K CA 0.272 56.627 56.287 0.112 0.000 1.072 525 K CB 0.588 33.134 32.500 0.077 0.000 0.822 525 K HN 0.362 nan 8.250 nan 0.000 0.497 526 G N 2.154 111.042 108.800 0.146 0.000 2.289 526 G HA2 -0.285 3.676 3.960 0.001 0.000 0.280 526 G HA3 -0.285 3.676 3.960 0.001 0.000 0.280 526 G C -0.539 174.612 174.900 0.418 0.000 1.089 526 G CA 0.309 45.505 45.100 0.160 0.000 0.939 526 G HN 0.390 nan 8.290 nan 0.000 0.499 527 E N -0.386 120.052 120.200 0.397 0.000 2.256 527 E HA 0.526 4.876 4.350 0.001 0.000 0.268 527 E C -0.232 176.366 176.600 -0.003 0.000 0.877 527 E CA -1.247 55.270 56.400 0.195 0.000 0.757 527 E CB 1.214 30.956 29.700 0.070 0.000 1.183 527 E HN 0.314 nan 8.360 nan 0.000 0.418 528 L N 5.852 126.961 121.223 -0.191 0.000 2.530 528 L HA 0.059 4.399 4.340 0.001 0.000 0.273 528 L C 0.342 177.107 176.870 -0.176 0.000 1.141 528 L CA 0.460 55.048 54.840 -0.420 0.000 0.905 528 L CB 0.988 42.872 42.059 -0.291 0.000 1.202 528 L HN 0.645 nan 8.230 nan 0.000 0.473 529 V N 4.687 124.524 119.914 -0.127 0.000 2.407 529 V HA 0.129 4.250 4.120 0.001 0.000 0.245 529 V C 1.145 177.212 176.094 -0.044 0.000 1.041 529 V CA 1.060 63.356 62.300 -0.007 0.000 1.040 529 V CB -0.602 31.300 31.823 0.132 0.000 0.671 529 V HN 0.891 nan 8.190 nan 0.000 0.455 530 R N -1.626 118.817 120.500 -0.094 0.000 2.829 530 R HA 0.403 4.743 4.340 0.001 0.000 0.283 530 R C -2.127 174.033 176.300 -0.234 0.000 1.013 530 R CA -0.684 55.294 56.100 -0.204 0.000 0.848 530 R CB 1.390 31.563 30.300 -0.211 0.000 1.291 530 R HN 0.249 nan 8.270 nan 0.000 0.496 531 Y N -0.623 119.410 120.300 -0.444 0.000 2.553 531 Y HA 0.735 5.285 4.550 0.001 0.000 0.347 531 Y C -1.813 173.579 175.900 -0.847 0.000 1.019 531 Y CA -1.177 56.672 58.100 -0.418 0.000 1.032 531 Y CB 1.316 39.776 38.460 0.001 0.000 1.284 531 Y HN 0.421 nan 8.280 nan 0.000 0.466 532 Y N 3.321 123.778 120.300 0.262 0.000 2.361 532 Y HA 0.608 5.159 4.550 0.001 0.000 0.337 532 Y C -1.228 174.910 175.900 0.396 0.000 0.965 532 Y CA -1.148 57.103 58.100 0.251 0.000 1.091 532 Y CB 2.062 40.587 38.460 0.108 0.000 1.182 532 Y HN 0.704 nan 8.280 nan 0.000 0.450 533 L N 3.749 125.284 121.223 0.519 0.000 2.319 533 L HA 0.829 5.170 4.340 0.001 0.000 0.281 533 L C -0.835 176.204 176.870 0.282 0.000 1.005 533 L CA -0.134 54.964 54.840 0.429 0.000 0.828 533 L CB 1.341 43.611 42.059 0.351 0.000 1.227 533 L HN 0.717 nan 8.230 nan 0.000 0.415 534 T N 2.211 116.921 114.554 0.260 0.000 2.956 534 T HA 0.597 4.948 4.350 0.001 0.000 0.312 534 T C -0.810 174.011 174.700 0.202 0.000 1.151 534 T CA -0.695 61.513 62.100 0.180 0.000 1.024 534 T CB 1.668 70.641 68.868 0.175 0.000 1.140 534 T HN 0.644 nan 8.240 nan 0.000 0.473 535 S N 1.350 117.085 115.700 0.058 0.000 2.537 535 S HA 0.735 5.205 4.470 0.001 0.000 0.301 535 S C -1.510 173.048 174.600 -0.071 0.000 1.092 535 S CA -0.750 57.509 58.200 0.099 0.000 1.048 535 S CB 0.863 64.101 63.200 0.064 0.000 1.053 535 S HN 0.631 nan 8.310 nan 0.000 0.501 536 Y N 1.775 122.029 120.300 -0.077 0.000 2.749 536 Y HA 0.444 4.995 4.550 0.001 0.000 0.343 536 Y C -2.675 173.244 175.900 0.032 0.000 1.015 536 Y CA -2.056 55.917 58.100 -0.211 0.000 1.270 536 Y CB 1.565 39.727 38.460 -0.495 0.000 1.097 536 Y HN 0.552 nan 8.280 nan 0.000 0.571 537 P HA 0.392 nan 4.420 nan 0.000 0.288 537 P C -0.478 177.094 177.300 0.455 0.000 1.267 537 P CA -0.318 62.964 63.100 0.303 0.000 0.815 537 P CB 1.526 33.331 31.700 0.175 0.000 0.989 538 A N 1.826 124.824 122.820 0.297 0.000 2.108 538 A HA -0.169 4.152 4.320 0.001 0.000 0.270 538 A C -0.589 177.038 177.584 0.071 0.000 1.390 538 A CA 0.268 52.392 52.037 0.145 0.000 0.729 538 A CB -2.776 16.232 19.000 0.013 0.000 1.185 538 A HN 0.375 nan 8.150 nan 0.000 0.318 539 F N 0.102 120.096 119.950 0.073 0.000 2.946 539 F HA 0.433 4.961 4.527 0.001 0.000 0.375 539 F C 0.965 176.804 175.800 0.064 0.000 1.320 539 F CA 0.195 58.244 58.000 0.082 0.000 1.181 539 F CB 1.251 40.328 39.000 0.128 0.000 2.051 539 F HN 0.769 nan 8.300 nan 0.000 0.622 540 G N 0.912 109.795 108.800 0.139 0.000 2.639 540 G HA2 0.404 4.364 3.960 0.001 0.000 0.312 540 G HA3 0.404 4.364 3.960 0.001 0.000 0.312 540 G C 0.486 175.440 174.900 0.091 0.000 0.911 540 G CA 0.225 45.388 45.100 0.103 0.000 1.410 540 G HN 0.713 nan 8.290 nan 0.000 0.469 541 E N 0.515 120.778 120.200 0.105 0.000 4.027 541 E HA -0.173 4.178 4.350 0.001 0.000 0.338 541 E C 1.256 177.918 176.600 0.104 0.000 0.738 541 E CA 1.081 57.531 56.400 0.084 0.000 1.334 541 E CB -0.576 29.157 29.700 0.056 0.000 1.687 541 E HN 0.635 nan 8.360 nan 0.000 0.407 542 K N -0.354 120.141 120.400 0.157 0.000 2.435 542 K HA 0.146 4.466 4.320 0.001 0.000 0.199 542 K C 2.091 178.830 176.600 0.232 0.000 1.153 542 K CA 0.576 56.979 56.287 0.193 0.000 0.974 542 K CB 0.343 32.966 32.500 0.206 0.000 0.997 542 K HN 0.176 nan 8.250 nan 0.000 0.547 543 L N -0.085 121.289 121.223 0.252 0.000 2.042 543 L HA -0.126 4.214 4.340 0.001 0.000 0.210 543 L C 1.977 178.789 176.870 -0.096 0.000 1.076 543 L CA 1.733 56.610 54.840 0.062 0.000 0.749 543 L CB -1.376 40.664 42.059 -0.031 0.000 0.893 543 L HN -0.108 nan 8.230 nan 0.000 0.432 544 T N 0.155 114.691 114.554 -0.029 0.000 2.635 544 T HA -0.210 4.140 4.350 0.001 0.000 0.267 544 T C 1.772 176.429 174.700 -0.073 0.000 1.040 544 T CA 2.105 64.171 62.100 -0.057 0.000 1.156 544 T CB -0.393 68.493 68.868 0.029 0.000 0.863 544 T HN 0.517 nan 8.240 nan 0.000 0.430 545 E N 0.570 120.783 120.200 0.022 0.000 2.085 545 E HA -0.204 4.147 4.350 0.001 0.000 0.194 545 E C 2.312 178.918 176.600 0.009 0.000 0.994 545 E CA 1.244 57.699 56.400 0.091 0.000 0.801 545 E CB -0.156 29.649 29.700 0.174 0.000 0.743 545 E HN 0.306 nan 8.360 nan 0.000 0.453 546 K N 1.020 121.431 120.400 0.017 0.000 2.001 546 K HA -0.106 4.214 4.320 0.001 0.000 0.208 546 K C 2.006 178.545 176.600 -0.101 0.000 1.048 546 K CA 1.438 57.745 56.287 0.032 0.000 0.932 546 K CB -0.406 32.201 32.500 0.179 0.000 0.715 546 K HN 0.084 nan 8.250 nan 0.000 0.437 547 A N 0.671 123.278 122.820 -0.355 0.000 1.883 547 A HA -0.167 4.153 4.320 0.001 0.000 0.217 547 A C 2.285 179.693 177.584 -0.295 0.000 1.186 547 A CA 1.976 53.699 52.037 -0.524 0.000 0.624 547 A CB -0.772 17.714 19.000 -0.856 0.000 0.822 547 A HN 0.372 nan 8.150 nan 0.000 0.444 548 I N -0.667 119.707 120.570 -0.327 0.000 2.163 548 I HA -0.149 4.021 4.170 0.001 0.000 0.240 548 I C 2.781 178.671 176.117 -0.377 0.000 1.081 548 I CA 1.051 62.120 61.300 -0.385 0.000 1.353 548 I CB -0.788 36.880 38.000 -0.554 0.000 1.054 548 I HN 0.393 nan 8.210 nan 0.000 0.407 549 G N 0.478 108.907 108.800 -0.618 0.000 2.545 549 G HA2 -0.329 3.631 3.960 0.001 0.000 0.222 549 G HA3 -0.329 3.631 3.960 0.001 0.000 0.222 549 G C 1.195 175.904 174.900 -0.319 0.000 1.126 549 G CA 1.477 46.072 45.100 -0.842 0.000 0.754 549 G HN 0.308 nan 8.290 nan 0.000 0.583 550 D N -0.346 119.942 120.400 -0.186 0.000 2.144 550 D HA -0.036 4.605 4.640 0.001 0.000 0.200 550 D C 2.709 178.900 176.300 -0.181 0.000 0.978 550 D CA 0.371 54.307 54.000 -0.108 0.000 0.833 550 D CB -0.284 40.513 40.800 -0.005 0.000 0.961 550 D HN 0.195 nan 8.370 nan 0.000 0.470 551 V N 0.454 120.240 119.914 -0.212 0.000 2.220 551 V HA -0.284 3.837 4.120 0.001 0.000 0.246 551 V C 2.058 177.960 176.094 -0.320 0.000 1.049 551 V CA 1.552 63.684 62.300 -0.279 0.000 1.003 551 V CB -0.661 30.988 31.823 -0.289 0.000 0.634 551 V HN 0.118 nan 8.190 nan 0.000 0.444 552 F N 0.739 120.468 119.950 -0.367 0.000 2.045 552 F HA -0.321 4.207 4.527 0.001 0.000 0.297 552 F C 2.905 178.437 175.800 -0.447 0.000 1.114 552 F CA 2.365 60.047 58.000 -0.529 0.000 1.207 552 F CB -1.072 37.342 39.000 -0.976 0.000 0.964 552 F HN 0.190 nan 8.300 nan 0.000 0.486 553 S N -0.299 115.340 115.700 -0.101 0.000 2.444 553 S HA -0.249 4.221 4.470 0.001 0.000 0.244 553 S C 1.736 176.389 174.600 0.087 0.000 1.025 553 S CA 1.761 60.044 58.200 0.139 0.000 0.995 553 S CB -0.442 62.808 63.200 0.084 0.000 0.781 553 S HN 0.401 nan 8.310 nan 0.000 0.496 554 L N -0.494 120.699 121.223 -0.049 0.000 2.609 554 L HA 0.464 4.804 4.340 0.001 0.000 0.230 554 L C 1.867 178.754 176.870 0.030 0.000 1.064 554 L CA 0.418 55.208 54.840 -0.083 0.000 0.873 554 L CB -0.199 41.629 42.059 -0.385 0.000 1.139 554 L HN 0.242 nan 8.230 nan 0.000 0.490 555 L N 0.106 121.330 121.223 0.003 0.000 2.081 555 L HA -0.235 4.105 4.340 0.001 0.000 0.212 555 L C 2.522 179.609 176.870 0.362 0.000 1.080 555 L CA 1.677 56.581 54.840 0.106 0.000 0.754 555 L CB -0.492 41.469 42.059 -0.164 0.000 0.893 555 L HN 0.453 nan 8.230 nan 0.000 0.433 556 E N 0.518 120.947 120.200 0.381 0.000 2.015 556 E HA -0.221 4.129 4.350 0.001 0.000 0.191 556 E C 2.160 178.911 176.600 0.252 0.000 0.991 556 E CA 1.197 57.845 56.400 0.413 0.000 0.802 556 E CB 0.094 30.096 29.700 0.504 0.000 0.759 556 E HN 0.414 nan 8.360 nan 0.000 0.447 557 K N 0.339 120.852 120.400 0.189 0.000 2.160 557 K HA -0.131 4.190 4.320 0.001 0.000 0.206 557 K C 2.184 178.854 176.600 0.116 0.000 1.047 557 K CA 0.902 57.264 56.287 0.125 0.000 0.930 557 K CB -0.126 32.428 32.500 0.091 0.000 0.720 557 K HN 0.198 nan 8.250 nan 0.000 0.450 558 L N -0.891 120.429 121.223 0.162 0.000 2.395 558 L HA -0.031 4.310 4.340 0.001 0.000 0.218 558 L C 1.437 178.309 176.870 0.004 0.000 1.130 558 L CA 0.848 55.776 54.840 0.147 0.000 0.826 558 L CB 0.013 42.253 42.059 0.302 0.000 0.941 558 L HN 0.547 nan 8.230 nan 0.000 0.451 559 G N -1.167 107.648 108.800 0.026 0.000 2.260 559 G HA2 -0.218 3.742 3.960 0.001 0.000 0.179 559 G HA3 -0.218 3.742 3.960 0.001 0.000 0.179 559 G C 0.058 174.884 174.900 -0.124 0.000 1.002 559 G CA -0.719 44.320 45.100 -0.103 0.000 0.677 559 G HN 0.094 nan 8.290 nan 0.000 0.486 560 F N 2.713 122.731 119.950 0.113 0.000 2.471 560 F HA 0.576 5.104 4.527 0.001 0.000 0.365 560 F C 1.027 177.016 175.800 0.316 0.000 1.095 560 F CA -0.016 58.066 58.000 0.136 0.000 1.174 560 F CB 0.821 39.821 39.000 -0.001 0.000 1.105 560 F HN -0.045 nan 8.300 nan 0.000 0.535 561 K N 2.244 122.879 120.400 0.393 0.000 2.419 561 K HA 0.396 4.717 4.320 0.001 0.000 0.246 561 K C -0.257 176.546 176.600 0.338 0.000 1.037 561 K CA -1.170 55.302 56.287 0.309 0.000 0.982 561 K CB 0.655 33.248 32.500 0.155 0.000 1.283 561 K HN 0.358 nan 8.250 nan 0.000 0.500 562 K N 0.573 121.059 120.400 0.144 0.000 2.530 562 K HA -0.040 4.280 4.320 0.001 0.000 0.280 562 K C 0.731 177.424 176.600 0.155 0.000 1.004 562 K CA 1.278 57.608 56.287 0.073 0.000 1.071 562 K CB -0.114 32.394 32.500 0.012 0.000 0.876 562 K HN 0.864 nan 8.250 nan 0.000 0.487 563 G N 1.580 110.495 108.800 0.192 0.000 2.175 563 G HA2 -0.271 3.690 3.960 0.001 0.000 0.244 563 G HA3 -0.271 3.690 3.960 0.001 0.000 0.244 563 G C -0.123 174.906 174.900 0.214 0.000 0.982 563 G CA 0.154 45.360 45.100 0.176 0.000 0.641 563 G HN 0.599 nan 8.290 nan 0.000 0.527 564 S N 0.082 115.986 115.700 0.339 0.000 2.545 564 S HA 0.617 5.087 4.470 0.001 0.000 0.275 564 S C -0.045 174.629 174.600 0.123 0.000 1.299 564 S CA -0.373 57.966 58.200 0.232 0.000 1.048 564 S CB 2.307 65.673 63.200 0.276 0.000 0.938 564 S HN 0.531 nan 8.310 nan 0.000 0.496 565 K N 2.191 122.595 120.400 0.008 0.000 2.258 565 K HA 0.508 4.829 4.320 0.001 0.000 0.284 565 K C -1.333 175.122 176.600 -0.243 0.000 1.051 565 K CA -0.220 56.019 56.287 -0.079 0.000 0.923 565 K CB 0.017 32.470 32.500 -0.078 0.000 1.046 565 K HN 0.704 nan 8.250 nan 0.000 0.474 566 I N 4.847 125.247 120.570 -0.284 0.000 2.478 566 I HA 0.249 4.419 4.170 0.001 0.000 0.287 566 I C -1.001 174.868 176.117 -0.414 0.000 1.042 566 I CA -1.129 59.908 61.300 -0.438 0.000 1.067 566 I CB 2.139 39.823 38.000 -0.526 0.000 1.233 566 I HN 0.252 nan 8.210 nan 0.000 0.431 567 V N 7.294 126.886 119.914 -0.536 0.000 2.407 567 V HA 0.373 4.494 4.120 0.001 0.000 0.278 567 V C -0.109 175.740 176.094 -0.408 0.000 1.037 567 V CA -0.582 61.465 62.300 -0.422 0.000 0.900 567 V CB 1.762 33.338 31.823 -0.413 0.000 0.983 567 V HN 0.367 nan 8.190 nan 0.000 0.459 568 V N 5.233 124.938 119.914 -0.348 0.000 2.378 568 V HA 0.384 4.504 4.120 0.001 0.000 0.288 568 V C -0.300 175.682 176.094 -0.186 0.000 1.016 568 V CA -0.676 61.413 62.300 -0.352 0.000 0.840 568 V CB 1.151 32.682 31.823 -0.487 0.000 0.994 568 V HN 0.895 nan 8.190 nan 0.000 0.431 569 H N 4.023 122.988 119.070 -0.174 0.000 2.604 569 H HA 0.501 5.058 4.556 0.001 0.000 0.306 569 H C 0.088 175.337 175.328 -0.132 0.000 1.075 569 H CA -0.787 55.175 56.048 -0.143 0.000 1.357 569 H CB 1.263 30.959 29.762 -0.110 0.000 1.426 569 H HN 0.460 nan 8.280 nan 0.000 0.470 570 R N 2.325 122.822 120.500 -0.005 0.000 2.312 570 R HA 0.059 4.399 4.340 0.001 0.000 0.311 570 R C -0.820 175.468 176.300 -0.021 0.000 1.004 570 R CA -0.655 55.431 56.100 -0.023 0.000 0.902 570 R CB 0.508 30.784 30.300 -0.041 0.000 1.073 570 R HN 0.574 nan 8.270 nan 0.000 0.457 571 D N 3.610 124.001 120.400 -0.016 0.000 2.358 571 D HA 0.335 4.976 4.640 0.001 0.000 0.258 571 D C 0.387 176.670 176.300 -0.028 0.000 1.223 571 D CA 1.798 55.787 54.000 -0.018 0.000 0.886 571 D CB 0.557 41.355 40.800 -0.004 0.000 1.120 571 D HN 0.757 nan 8.370 nan 0.000 0.482 572 G N 3.913 112.695 108.800 -0.030 0.000 2.693 572 G HA2 -0.230 3.731 3.960 0.001 0.000 0.226 572 G HA3 -0.230 3.731 3.960 0.001 0.000 0.226 572 G C -0.200 174.678 174.900 -0.036 0.000 1.354 572 G CA -0.464 44.618 45.100 -0.030 0.000 0.873 572 G HN 0.703 nan 8.290 nan 0.000 0.562 573 R N -0.783 119.696 120.500 -0.035 0.000 2.707 573 R HA 0.558 4.898 4.340 0.001 0.000 0.270 573 R C 0.355 176.609 176.300 -0.076 0.000 1.083 573 R CA -0.296 55.789 56.100 -0.025 0.000 1.182 573 R CB 0.146 30.455 30.300 0.016 0.000 1.084 573 R HN 0.501 nan 8.270 nan 0.000 0.528 574 L N -0.364 120.842 121.223 -0.029 0.000 2.331 574 L HA 0.462 4.803 4.340 0.001 0.000 0.268 574 L C -0.307 176.581 176.870 0.031 0.000 1.015 574 L CA -0.899 53.908 54.840 -0.054 0.000 0.807 574 L CB 0.136 42.231 42.059 0.060 0.000 1.293 574 L HN 0.409 nan 8.230 nan 0.000 0.451 575 Y N -0.290 120.063 120.300 0.089 0.000 2.300 575 Y HA 0.278 4.828 4.550 0.001 0.000 0.328 575 Y C 1.614 177.569 175.900 0.093 0.000 1.270 575 Y CA -0.793 57.355 58.100 0.080 0.000 1.352 575 Y CB 1.036 39.534 38.460 0.064 0.000 1.286 575 Y HN 0.504 nan 8.280 nan 0.000 0.536 576 R N 0.474 121.134 120.500 0.267 0.000 2.070 576 R HA -0.204 4.137 4.340 0.001 0.000 0.232 576 R C 1.386 177.779 176.300 0.155 0.000 1.138 576 R CA 1.922 58.120 56.100 0.164 0.000 0.936 576 R CB -0.521 29.839 30.300 0.099 0.000 0.839 576 R HN 0.899 nan 8.270 nan 0.000 0.429 577 D N 0.247 120.728 120.400 0.136 0.000 2.897 577 D HA -0.309 4.332 4.640 0.001 0.000 0.560 577 D C 1.484 177.885 176.300 0.168 0.000 0.994 577 D CA 2.666 56.755 54.000 0.148 0.000 1.576 577 D CB -0.371 40.547 40.800 0.196 0.000 0.580 577 D HN 0.322 nan 8.370 nan 0.000 0.491 578 E N -0.913 119.420 120.200 0.223 0.000 2.051 578 E HA -0.145 4.205 4.350 0.001 0.000 0.192 578 E C 2.384 179.208 176.600 0.374 0.000 0.991 578 E CA 1.366 57.910 56.400 0.241 0.000 0.799 578 E CB -0.080 29.771 29.700 0.253 0.000 0.748 578 E HN 0.241 nan 8.360 nan 0.000 0.449 579 V N 1.436 121.558 119.914 0.347 0.000 2.252 579 V HA -0.353 3.768 4.120 0.001 0.000 0.249 579 V C 2.317 178.588 176.094 0.295 0.000 1.056 579 V CA 2.000 64.519 62.300 0.364 0.000 1.022 579 V CB -0.946 31.017 31.823 0.233 0.000 0.641 579 V HN 0.374 nan 8.190 nan 0.000 0.445 580 A N 0.171 123.098 122.820 0.177 0.000 1.849 580 A HA -0.257 4.063 4.320 0.001 0.000 0.217 580 A C 2.497 180.144 177.584 0.107 0.000 1.202 580 A CA 2.943 55.041 52.037 0.101 0.000 0.629 580 A CB -1.270 17.770 19.000 0.067 0.000 0.834 580 A HN 0.674 nan 8.150 nan 0.000 0.447 581 A N -1.239 121.649 122.820 0.114 0.000 1.915 581 A HA -0.193 4.127 4.320 0.001 0.000 0.220 581 A C 2.062 179.773 177.584 0.211 0.000 1.198 581 A CA 1.946 54.067 52.037 0.139 0.000 0.647 581 A CB -1.000 18.053 19.000 0.088 0.000 0.825 581 A HN 0.552 nan 8.150 nan 0.000 0.456 582 F N -0.068 120.052 119.950 0.282 0.000 2.046 582 F HA -0.236 4.291 4.527 0.001 0.000 0.297 582 F C 2.494 178.473 175.800 0.297 0.000 1.123 582 F CA 2.114 60.332 58.000 0.363 0.000 1.199 582 F CB -0.252 38.956 39.000 0.345 0.000 0.972 582 F HN 0.138 nan 8.300 nan 0.000 0.474 583 K N 0.414 121.048 120.400 0.390 0.000 2.052 583 K HA -0.275 4.046 4.320 0.001 0.000 0.215 583 K C 1.899 178.533 176.600 0.057 0.000 1.053 583 K CA 2.127 58.509 56.287 0.158 0.000 0.934 583 K CB -0.366 32.115 32.500 -0.031 0.000 0.717 583 K HN 0.272 nan 8.250 nan 0.000 0.450 584 K N -0.361 120.015 120.400 -0.040 0.000 2.103 584 K HA -0.174 4.147 4.320 0.001 0.000 0.207 584 K C 2.013 178.403 176.600 -0.350 0.000 1.048 584 K CA 1.652 57.800 56.287 -0.230 0.000 0.930 584 K CB -0.130 32.144 32.500 -0.377 0.000 0.716 584 K HN 0.278 nan 8.250 nan 0.000 0.444 585 Y N -0.486 119.635 120.300 -0.298 0.000 2.510 585 Y HA 0.066 4.617 4.550 0.001 0.000 0.273 585 Y C 2.401 177.859 175.900 -0.737 0.000 1.119 585 Y CA 0.268 57.963 58.100 -0.675 0.000 1.286 585 Y CB 0.185 37.845 38.460 -1.334 0.000 1.061 585 Y HN 0.105 nan 8.280 nan 0.000 0.542 586 G N -0.098 108.629 108.800 -0.122 0.000 2.408 586 G HA2 -0.196 3.764 3.960 0.001 0.000 0.217 586 G HA3 -0.196 3.764 3.960 0.001 0.000 0.217 586 G C 1.400 176.400 174.900 0.167 0.000 1.150 586 G CA 0.770 46.046 45.100 0.292 0.000 0.776 586 G HN 0.340 nan 8.290 nan 0.000 0.542 587 E N -0.114 120.123 120.200 0.061 0.000 2.028 587 E HA 0.007 4.357 4.350 0.001 0.000 0.191 587 E C 2.618 179.204 176.600 -0.023 0.000 0.988 587 E CA 0.396 56.806 56.400 0.017 0.000 0.799 587 E CB -0.180 29.509 29.700 -0.017 0.000 0.755 587 E HN 0.287 nan 8.360 nan 0.000 0.447 588 L N -0.152 121.038 121.223 -0.055 0.000 2.021 588 L HA -0.244 4.097 4.340 0.001 0.000 0.215 588 L C 1.880 178.694 176.870 -0.094 0.000 1.074 588 L CA 1.486 56.285 54.840 -0.068 0.000 0.760 588 L CB -0.456 41.577 42.059 -0.044 0.000 0.889 588 L HN 0.308 nan 8.230 nan 0.000 0.433 589 Y N -0.416 119.755 120.300 -0.214 0.000 2.468 589 Y HA 0.222 4.772 4.550 0.001 0.000 0.268 589 Y C 1.620 177.178 175.900 -0.570 0.000 1.177 589 Y CA 0.208 58.078 58.100 -0.383 0.000 1.265 589 Y CB -0.083 38.114 38.460 -0.438 0.000 1.103 589 Y HN 0.290 nan 8.280 nan 0.000 0.522 590 G N -0.113 108.602 108.800 -0.141 0.000 2.246 590 G HA2 -0.320 3.640 3.960 0.001 0.000 0.273 590 G HA3 -0.320 3.640 3.960 0.001 0.000 0.273 590 G C -0.621 174.314 174.900 0.060 0.000 1.055 590 G CA -0.177 44.890 45.100 -0.055 0.000 0.851 590 G HN 0.228 nan 8.290 nan 0.000 0.500 591 Y N 0.175 120.607 120.300 0.221 0.000 2.342 591 Y HA 0.652 5.203 4.550 0.001 0.000 0.334 591 Y C 0.779 176.772 175.900 0.155 0.000 1.067 591 Y CA -1.551 56.671 58.100 0.202 0.000 1.128 591 Y CB 1.912 40.545 38.460 0.289 0.000 1.200 591 Y HN 0.188 nan 8.280 nan 0.000 0.464 592 S N 4.172 120.031 115.700 0.264 0.000 2.448 592 S HA 0.429 4.900 4.470 0.001 0.000 0.279 592 S C -0.948 173.715 174.600 0.106 0.000 1.195 592 S CA -0.466 57.830 58.200 0.160 0.000 1.051 592 S CB -0.324 62.932 63.200 0.093 0.000 0.948 592 S HN 0.559 nan 8.310 nan 0.000 0.493 593 L N 5.835 127.128 121.223 0.118 0.000 2.342 593 L HA 0.566 4.906 4.340 0.001 0.000 0.276 593 L C -0.635 176.109 176.870 -0.211 0.000 0.997 593 L CA -0.222 54.627 54.840 0.015 0.000 0.838 593 L CB 1.381 43.561 42.059 0.202 0.000 1.224 593 L HN 0.566 nan 8.230 nan 0.000 0.416 594 E N 4.109 124.143 120.200 -0.277 0.000 2.343 594 E HA 0.443 4.794 4.350 0.001 0.000 0.269 594 E C -1.146 175.173 176.600 -0.468 0.000 1.047 594 E CA -0.481 55.695 56.400 -0.374 0.000 0.874 594 E CB 2.134 31.692 29.700 -0.237 0.000 1.033 594 E HN 0.392 nan 8.360 nan 0.000 0.409 595 L N 3.716 124.608 121.223 -0.553 0.000 2.476 595 L HA 0.439 4.780 4.340 0.001 0.000 0.269 595 L C -1.732 174.980 176.870 -0.262 0.000 0.965 595 L CA -0.752 53.806 54.840 -0.471 0.000 0.845 595 L CB 1.272 42.971 42.059 -0.601 0.000 1.259 595 L HN 0.482 nan 8.230 nan 0.000 0.403 596 L N 1.210 122.332 121.223 -0.169 0.000 2.465 596 L HA 0.776 5.117 4.340 0.001 0.000 0.257 596 L C -0.904 175.915 176.870 -0.084 0.000 0.988 596 L CA -0.581 54.199 54.840 -0.100 0.000 0.827 596 L CB 2.136 44.145 42.059 -0.083 0.000 1.397 596 L HN 0.560 nan 8.230 nan 0.000 0.410 597 E N 2.162 122.321 120.200 -0.068 0.000 2.242 597 E HA 0.667 5.017 4.350 0.001 0.000 0.275 597 E C -1.080 175.472 176.600 -0.080 0.000 1.002 597 E CA -0.581 55.784 56.400 -0.058 0.000 0.841 597 E CB 2.329 32.009 29.700 -0.033 0.000 1.109 597 E HN 0.526 nan 8.360 nan 0.000 0.394 598 I N 3.605 124.128 120.570 -0.079 0.000 2.418 598 I HA 0.369 4.539 4.170 0.001 0.000 0.287 598 I C -0.620 175.464 176.117 -0.056 0.000 1.008 598 I CA -0.527 60.718 61.300 -0.092 0.000 1.104 598 I CB 1.066 38.987 38.000 -0.131 0.000 1.264 598 I HN 0.323 nan 8.210 nan 0.000 0.438 599 I N 6.555 127.099 120.570 -0.045 0.000 2.406 599 I HA 0.264 4.435 4.170 0.001 0.000 0.290 599 I C 0.298 176.400 176.117 -0.025 0.000 0.999 599 I CA -0.401 60.884 61.300 -0.026 0.000 1.124 599 I CB 1.900 39.891 38.000 -0.015 0.000 1.289 599 I HN 0.568 nan 8.210 nan 0.000 0.441 600 K N 4.444 124.833 120.400 -0.019 0.000 2.313 600 K HA 0.248 4.569 4.320 0.001 0.000 0.197 600 K C 0.168 176.760 176.600 -0.012 0.000 1.061 600 K CA 0.243 56.516 56.287 -0.023 0.000 0.980 600 K CB 0.141 32.628 32.500 -0.022 0.000 0.888 600 K HN 0.367 nan 8.250 nan 0.000 0.502 601 R N 2.514 123.015 120.500 0.002 0.000 2.308 601 R HA 0.243 4.583 4.340 0.001 0.000 0.305 601 R C -0.478 175.837 176.300 0.026 0.000 1.053 601 R CA -0.369 55.740 56.100 0.014 0.000 0.957 601 R CB 0.193 30.504 30.300 0.018 0.000 1.022 601 R HN 0.230 nan 8.270 nan 0.000 0.461 602 N N 1.483 120.204 118.700 0.035 0.000 2.740 602 N HA -0.172 4.568 4.740 0.001 0.000 0.248 602 N C -0.860 174.717 175.510 0.111 0.000 1.062 602 N CA 0.694 53.785 53.050 0.068 0.000 0.704 602 N CB -0.980 37.541 38.487 0.057 0.000 0.968 602 N HN 0.649 nan 8.380 nan 0.000 0.547 603 N N 1.122 119.850 118.700 0.047 0.000 2.483 603 N HA 0.333 5.074 4.740 0.001 0.000 0.269 603 N C -2.210 173.275 175.510 -0.041 0.000 1.209 603 N CA -0.941 52.097 53.050 -0.018 0.000 0.969 603 N CB 0.383 38.831 38.487 -0.065 0.000 1.173 603 N HN 0.057 nan 8.380 nan 0.000 0.475 604 P HA 0.144 nan 4.420 nan 0.000 0.268 604 P C -0.085 177.006 177.300 -0.349 0.000 1.205 604 P CA 0.162 63.052 63.100 -0.349 0.000 0.771 604 P CB 0.723 32.021 31.700 -0.671 0.000 0.858 605 R N 1.755 122.096 120.500 -0.265 0.000 2.560 605 R HA 0.457 4.797 4.340 0.001 0.000 0.270 605 R C -0.083 175.816 176.300 -0.668 0.000 1.074 605 R CA -0.410 55.437 56.100 -0.422 0.000 1.140 605 R CB 0.387 30.419 30.300 -0.448 0.000 1.073 605 R HN 0.400 nan 8.270 nan 0.000 0.527 606 F N 1.107 120.800 119.950 -0.427 0.000 2.397 606 F HA 0.418 4.945 4.527 0.001 0.000 0.331 606 F C -0.211 175.152 175.800 -0.729 0.000 1.090 606 F CA -0.278 57.481 58.000 -0.401 0.000 1.065 606 F CB 0.940 39.809 39.000 -0.219 0.000 1.184 606 F HN 0.249 nan 8.300 nan 0.000 0.499 607 F N 1.279 121.331 119.950 0.170 0.000 2.569 607 F HA 0.599 5.127 4.527 0.001 0.000 0.312 607 F C -0.188 175.608 175.800 -0.007 0.000 1.109 607 F CA -0.748 57.291 58.000 0.064 0.000 0.919 607 F CB 2.190 41.214 39.000 0.040 0.000 1.211 607 F HN 0.328 nan 8.300 nan 0.000 0.446 608 S N 1.473 117.240 115.700 0.113 0.000 2.675 608 S HA 0.212 4.683 4.470 0.001 0.000 0.297 608 S C -0.577 173.999 174.600 -0.040 0.000 1.035 608 S CA -0.850 57.334 58.200 -0.026 0.000 0.852 608 S CB 0.743 63.816 63.200 -0.211 0.000 1.051 608 S HN 0.606 nan 8.310 nan 0.000 0.451 609 N N 1.539 120.215 118.700 -0.040 0.000 2.409 609 N HA -0.005 4.736 4.740 0.001 0.000 0.179 609 N C 0.332 175.804 175.510 -0.062 0.000 1.032 609 N CA 0.462 53.484 53.050 -0.048 0.000 0.898 609 N CB -0.283 38.187 38.487 -0.028 0.000 0.971 609 N HN 0.712 nan 8.380 nan 0.000 0.441 610 E N 2.160 122.316 120.200 -0.073 0.000 2.406 610 E HA -0.063 4.287 4.350 0.001 0.000 0.258 610 E C 1.055 177.593 176.600 -0.103 0.000 1.043 610 E CA 0.150 56.522 56.400 -0.046 0.000 0.929 610 E CB 0.698 30.376 29.700 -0.038 0.000 0.969 610 E HN 0.142 nan 8.360 nan 0.000 0.462 611 K N 3.883 124.218 120.400 -0.108 0.000 2.032 611 K HA -0.117 4.204 4.320 0.001 0.000 0.209 611 K C 0.142 176.482 176.600 -0.432 0.000 1.048 611 K CA 1.162 57.250 56.287 -0.332 0.000 0.927 611 K CB -0.108 32.042 32.500 -0.583 0.000 0.712 611 K HN 0.460 nan 8.250 nan 0.000 0.441 612 F N 1.657 121.593 119.950 -0.024 0.000 2.573 612 F HA 0.253 4.780 4.527 0.001 0.000 0.349 612 F C 0.677 176.500 175.800 0.038 0.000 1.213 612 F CA -0.379 57.617 58.000 -0.005 0.000 1.300 612 F CB 0.212 39.218 39.000 0.010 0.000 1.661 612 F HN -0.004 nan 8.300 nan 0.000 0.616 613 I N 0.039 120.602 120.570 -0.011 0.000 3.251 613 I HA -0.080 4.091 4.170 0.001 0.000 0.277 613 I C 1.362 177.504 176.117 0.041 0.000 1.268 613 I CA 0.205 61.465 61.300 -0.067 0.000 1.449 613 I CB -0.269 37.436 38.000 -0.492 0.000 1.083 613 I HN 0.241 nan 8.210 nan 0.000 0.464 614 K N 1.977 122.371 120.400 -0.010 0.000 2.430 614 K HA 0.094 4.414 4.320 0.001 0.000 0.280 614 K C 1.003 177.634 176.600 0.052 0.000 1.063 614 K CA 1.077 57.345 56.287 -0.032 0.000 1.071 614 K CB 0.088 32.617 32.500 0.049 0.000 0.899 614 K HN 0.385 nan 8.250 nan 0.000 0.473 615 G N 3.195 111.984 108.800 -0.017 0.000 2.201 615 G HA2 -0.265 3.695 3.960 0.001 0.000 0.212 615 G HA3 -0.265 3.695 3.960 0.001 0.000 0.212 615 G C -0.473 174.460 174.900 0.053 0.000 0.994 615 G CA -0.309 44.794 45.100 0.005 0.000 0.644 615 G HN 0.601 nan 8.290 nan 0.000 0.508 616 Y N 0.976 121.209 120.300 -0.112 0.000 2.712 616 Y HA 0.436 4.986 4.550 0.001 0.000 0.333 616 Y C 0.989 176.913 175.900 0.041 0.000 1.225 616 Y CA 0.909 58.909 58.100 -0.166 0.000 1.499 616 Y CB 0.078 38.175 38.460 -0.606 0.000 1.288 616 Y HN 0.428 nan 8.280 nan 0.000 0.575 617 F N 1.804 121.823 119.950 0.115 0.000 2.650 617 F HA 0.705 5.232 4.527 0.001 0.000 0.320 617 F C -2.014 174.008 175.800 0.371 0.000 1.091 617 F CA -1.814 56.337 58.000 0.252 0.000 0.962 617 F CB 1.768 40.828 39.000 0.099 0.000 1.363 617 F HN 0.324 nan 8.300 nan 0.000 0.482 618 Y N 1.557 121.911 120.300 0.090 0.000 2.401 618 Y HA 0.408 4.959 4.550 0.001 0.000 0.330 618 Y C -1.261 174.648 175.900 0.016 0.000 1.071 618 Y CA -1.114 56.918 58.100 -0.114 0.000 1.049 618 Y CB 1.559 40.018 38.460 -0.001 0.000 1.239 618 Y HN 0.592 nan 8.280 nan 0.000 0.437 619 K N 7.396 127.593 120.400 -0.338 0.000 2.316 619 K HA 0.267 4.587 4.320 0.001 0.000 0.289 619 K C -0.448 176.078 176.600 -0.124 0.000 1.070 619 K CA -0.147 56.088 56.287 -0.088 0.000 0.928 619 K CB 0.795 33.250 32.500 -0.076 0.000 1.039 619 K HN 0.760 nan 8.250 nan 0.000 0.480 620 L N 1.582 122.854 121.223 0.081 0.000 2.476 620 L HA 0.036 4.376 4.340 0.001 0.000 0.255 620 L C 1.107 177.967 176.870 -0.017 0.000 1.218 620 L CA -0.137 54.751 54.840 0.081 0.000 0.819 620 L CB 0.432 42.533 42.059 0.069 0.000 1.119 620 L HN 0.692 nan 8.230 nan 0.000 0.485 621 S N 0.377 116.051 115.700 -0.043 0.000 2.550 621 S HA -0.064 4.406 4.470 0.001 0.000 0.285 621 S C 0.338 174.916 174.600 -0.037 0.000 1.326 621 S CA -0.234 57.922 58.200 -0.074 0.000 1.037 621 S CB 0.605 63.757 63.200 -0.081 0.000 0.838 621 S HN 0.767 nan 8.310 nan 0.000 0.519 622 E N 0.292 120.468 120.200 -0.040 0.000 2.305 622 E HA -0.180 4.170 4.350 0.001 0.000 0.242 622 E C -0.495 176.102 176.600 -0.005 0.000 1.143 622 E CA 0.654 57.042 56.400 -0.020 0.000 0.716 622 E CB -1.545 28.146 29.700 -0.014 0.000 1.255 622 E HN 0.883 nan 8.360 nan 0.000 0.391 623 D N -1.210 119.188 120.400 -0.004 0.000 3.079 623 D HA -0.174 4.467 4.640 0.001 0.000 0.214 623 D C -0.318 175.985 176.300 0.004 0.000 1.145 623 D CA 1.742 55.742 54.000 0.000 0.000 0.958 623 D CB -1.205 39.596 40.800 0.002 0.000 1.117 623 D HN 0.479 nan 8.370 nan 0.000 0.416 624 S N -0.963 114.745 115.700 0.014 0.000 2.454 624 S HA 0.705 5.176 4.470 0.001 0.000 0.306 624 S C -0.254 174.378 174.600 0.053 0.000 1.100 624 S CA -0.657 57.555 58.200 0.021 0.000 1.087 624 S CB 2.715 65.926 63.200 0.017 0.000 1.019 624 S HN -0.001 nan 8.310 nan 0.000 0.480 625 V N 4.443 124.396 119.914 0.064 0.000 2.540 625 V HA 0.446 4.567 4.120 0.001 0.000 0.302 625 V C -0.222 175.948 176.094 0.127 0.000 1.035 625 V CA -0.799 61.584 62.300 0.138 0.000 0.873 625 V CB 1.559 33.458 31.823 0.127 0.000 0.992 625 V HN 0.949 nan 8.190 nan 0.000 0.428 626 I N 5.577 126.251 120.570 0.174 0.000 2.352 626 I HA 0.315 4.485 4.170 0.001 0.000 0.290 626 I C -0.682 175.603 176.117 0.280 0.000 1.036 626 I CA -0.196 61.177 61.300 0.121 0.000 1.336 626 I CB 1.191 39.182 38.000 -0.016 0.000 1.407 626 I HN 0.363 nan 8.210 nan 0.000 0.497 627 L N 7.936 129.312 121.223 0.254 0.000 2.372 627 L HA 0.633 4.973 4.340 0.001 0.000 0.274 627 L C -0.048 177.026 176.870 0.339 0.000 0.988 627 L CA -0.462 54.562 54.840 0.307 0.000 0.833 627 L CB 1.384 43.519 42.059 0.126 0.000 1.236 627 L HN 0.606 nan 8.230 nan 0.000 0.410 628 A N 3.273 126.335 122.820 0.403 0.000 2.492 628 A HA 0.494 4.815 4.320 0.001 0.000 0.254 628 A C 0.714 178.291 177.584 -0.012 0.000 1.091 628 A CA 0.437 52.565 52.037 0.151 0.000 0.768 628 A CB 0.099 18.916 19.000 -0.306 0.000 1.028 628 A HN 0.863 nan 8.150 nan 0.000 0.498 629 T N 1.276 115.870 114.554 0.067 0.000 3.058 629 T HA 0.291 4.641 4.350 0.001 0.000 0.278 629 T C -0.298 174.457 174.700 0.092 0.000 0.974 629 T CA 0.498 62.626 62.100 0.046 0.000 0.893 629 T CB -0.237 68.671 68.868 0.065 0.000 1.138 629 T HN 0.732 nan 8.240 nan 0.000 0.529 630 Y N -0.579 119.706 120.300 -0.026 0.000 2.662 630 Y HA 0.814 5.364 4.550 0.001 0.000 0.335 630 Y C -0.561 175.348 175.900 0.015 0.000 1.066 630 Y CA -1.662 56.439 58.100 0.002 0.000 1.116 630 Y CB 0.808 39.286 38.460 0.031 0.000 1.308 630 Y HN -0.306 nan 8.280 nan 0.000 0.502 631 N N 0.288 118.965 118.700 -0.039 0.000 2.477 631 N HA 0.236 4.977 4.740 0.001 0.000 0.284 631 N C -1.288 174.198 175.510 -0.040 0.000 1.182 631 N CA -0.898 52.053 53.050 -0.165 0.000 0.949 631 N CB 1.291 39.690 38.487 -0.148 0.000 1.204 631 N HN 0.694 nan 8.380 nan 0.000 0.526 632 Q N 0.348 120.068 119.800 -0.133 0.000 2.289 632 Q HA 0.247 4.588 4.340 0.001 0.000 0.273 632 Q C -0.850 175.133 176.000 -0.029 0.000 1.029 632 Q CA 0.212 56.005 55.803 -0.017 0.000 0.896 632 Q CB 0.584 29.277 28.738 -0.075 0.000 1.182 632 Q HN 0.246 nan 8.270 nan 0.000 0.385 633 V N 4.591 124.543 119.914 0.064 0.000 2.447 633 V HA 0.144 4.265 4.120 0.001 0.000 0.292 633 V C -0.644 175.523 176.094 0.121 0.000 1.021 633 V CA -0.933 61.401 62.300 0.057 0.000 0.850 633 V CB 0.748 32.603 31.823 0.052 0.000 1.005 633 V HN 0.736 nan 8.190 nan 0.000 0.426 634 Y N 3.534 123.815 120.300 -0.032 0.000 2.805 634 Y HA -0.038 4.513 4.550 0.001 0.000 0.337 634 Y C 1.616 177.502 175.900 -0.024 0.000 1.252 634 Y CA 1.411 59.497 58.100 -0.023 0.000 1.515 634 Y CB 0.425 38.871 38.460 -0.023 0.000 1.305 634 Y HN 0.945 nan 8.280 nan 0.000 0.600 635 E N 1.725 121.841 120.200 -0.140 0.000 4.201 635 E HA -0.320 4.030 4.350 0.001 0.000 0.197 635 E C 0.757 177.326 176.600 -0.052 0.000 1.283 635 E CA 1.278 57.586 56.400 -0.153 0.000 2.240 635 E CB -1.524 28.019 29.700 -0.262 0.000 1.878 635 E HN 0.959 nan 8.360 nan 0.000 0.315 636 G N 2.334 111.093 108.800 -0.068 0.000 2.662 636 G HA2 0.122 4.083 3.960 0.001 0.000 0.285 636 G HA3 0.122 4.083 3.960 0.001 0.000 0.285 636 G C -0.115 174.722 174.900 -0.106 0.000 0.672 636 G CA 1.014 46.052 45.100 -0.103 0.000 2.098 636 G HN 0.150 nan 8.290 nan 0.000 0.538 637 T N 0.455 114.933 114.554 -0.127 0.000 2.810 637 T HA 0.510 4.860 4.350 0.001 0.000 0.277 637 T C -0.298 174.249 174.700 -0.255 0.000 0.973 637 T CA -0.158 61.891 62.100 -0.086 0.000 0.949 637 T CB 0.892 69.759 68.868 -0.002 0.000 1.075 637 T HN 0.536 nan 8.240 nan 0.000 0.537 638 H N -0.212 118.756 119.070 -0.168 0.000 2.948 638 H HA 0.378 4.934 4.556 0.001 0.000 0.315 638 H C -1.164 173.983 175.328 -0.302 0.000 1.360 638 H CA -0.606 55.213 56.048 -0.382 0.000 1.125 638 H CB 1.444 30.674 29.762 -0.888 0.000 1.844 638 H HN 0.523 nan 8.280 nan 0.000 0.529 639 Q N 2.143 121.879 119.800 -0.106 0.000 2.333 639 Q HA 0.386 4.726 4.340 0.001 0.000 0.267 639 Q C -2.336 173.574 176.000 -0.150 0.000 1.012 639 Q CA -1.941 53.802 55.803 -0.100 0.000 0.824 639 Q CB 2.761 31.475 28.738 -0.040 0.000 1.290 639 Q HN 0.302 nan 8.270 nan 0.000 0.449 640 P HA 0.155 nan 4.420 nan 0.000 0.286 640 P C -0.471 176.841 177.300 0.020 0.000 1.293 640 P CA -0.231 62.966 63.100 0.161 0.000 0.770 640 P CB 0.675 32.519 31.700 0.240 0.000 1.206 641 I N -3.704 116.890 120.570 0.040 0.000 2.822 641 I HA 0.584 4.754 4.170 0.001 0.000 0.312 641 I C 0.030 176.145 176.117 -0.003 0.000 1.011 641 I CA -1.253 60.040 61.300 -0.012 0.000 1.105 641 I CB 1.737 39.714 38.000 -0.038 0.000 1.291 641 I HN 0.100 nan 8.210 nan 0.000 0.474 642 K N 2.975 123.363 120.400 -0.021 0.000 2.307 642 K HA 0.552 4.872 4.320 0.001 0.000 0.263 642 K C -1.742 174.841 176.600 -0.027 0.000 0.973 642 K CA -0.538 55.741 56.287 -0.014 0.000 0.846 642 K CB 1.944 34.433 32.500 -0.018 0.000 1.100 642 K HN 0.632 nan 8.250 nan 0.000 0.438 643 V N 5.680 125.580 119.914 -0.023 0.000 2.313 643 V HA 0.364 4.485 4.120 0.001 0.000 0.278 643 V C -0.048 176.022 176.094 -0.040 0.000 1.017 643 V CA -0.739 61.526 62.300 -0.058 0.000 0.823 643 V CB 1.041 32.813 31.823 -0.084 0.000 1.010 643 V HN 0.693 nan 8.190 nan 0.000 0.443 644 R N 4.092 124.567 120.500 -0.042 0.000 2.393 644 R HA 0.478 4.819 4.340 0.001 0.000 0.310 644 R C -0.310 175.968 176.300 -0.036 0.000 0.968 644 R CA -0.735 55.350 56.100 -0.024 0.000 0.867 644 R CB 1.276 31.572 30.300 -0.008 0.000 1.124 644 R HN 0.650 nan 8.270 nan 0.000 0.450 645 K N 4.228 124.612 120.400 -0.028 0.000 2.263 645 K HA 0.147 4.467 4.320 0.001 0.000 0.272 645 K C 0.085 176.680 176.600 -0.008 0.000 1.033 645 K CA -0.415 55.849 56.287 -0.039 0.000 0.884 645 K CB 1.582 34.057 32.500 -0.041 0.000 1.107 645 K HN 0.428 nan 8.250 nan 0.000 0.460 646 V N 4.860 124.767 119.914 -0.012 0.000 2.649 646 V HA -0.032 4.088 4.120 0.001 0.000 0.248 646 V C -0.176 176.034 176.094 0.194 0.000 1.054 646 V CA 1.152 63.495 62.300 0.071 0.000 1.073 646 V CB -0.785 31.085 31.823 0.079 0.000 0.699 646 V HN 0.870 nan 8.190 nan 0.000 0.463 647 Y N -3.013 117.279 120.300 -0.013 0.000 2.841 647 Y HA 0.606 5.157 4.550 0.001 0.000 0.373 647 Y C -0.597 175.298 175.900 -0.008 0.000 1.170 647 Y CA -0.574 57.524 58.100 -0.002 0.000 1.196 647 Y CB 0.451 38.919 38.460 0.014 0.000 1.433 647 Y HN 0.248 nan 8.280 nan 0.000 0.479 648 G N 1.184 110.078 108.800 0.156 0.000 2.346 648 G HA2 0.243 4.204 3.960 0.001 0.000 0.294 648 G HA3 0.243 4.204 3.960 0.001 0.000 0.294 648 G C -0.575 174.354 174.900 0.049 0.000 1.294 648 G CA -0.100 44.996 45.100 -0.005 0.000 0.962 648 G HN 1.043 nan 8.290 nan 0.000 0.508 649 E N -0.593 119.614 120.200 0.013 0.000 2.413 649 E HA 0.181 4.532 4.350 0.001 0.000 0.203 649 E C 1.149 177.744 176.600 -0.008 0.000 0.957 649 E CA -0.076 56.333 56.400 0.016 0.000 0.950 649 E CB 0.570 30.285 29.700 0.026 0.000 0.957 649 E HN 0.489 nan 8.360 nan 0.000 0.497 650 L N 3.313 124.519 121.223 -0.029 0.000 2.456 650 L HA 0.188 4.529 4.340 0.001 0.000 0.272 650 L C -2.149 174.701 176.870 -0.034 0.000 1.189 650 L CA -1.751 53.071 54.840 -0.031 0.000 0.846 650 L CB -0.301 41.735 42.059 -0.037 0.000 1.111 650 L HN -0.191 nan 8.230 nan 0.000 0.475 651 P HA 0.042 nan 4.420 nan 0.000 0.275 651 P C 0.910 178.172 177.300 -0.063 0.000 1.228 651 P CA -0.497 62.577 63.100 -0.044 0.000 0.786 651 P CB 0.736 32.407 31.700 -0.049 0.000 0.927 652 V N 1.455 121.329 119.914 -0.066 0.000 2.380 652 V HA -0.292 3.828 4.120 0.001 0.000 0.251 652 V C 1.827 177.843 176.094 -0.130 0.000 1.063 652 V CA 1.922 64.173 62.300 -0.082 0.000 1.055 652 V CB -1.599 30.185 31.823 -0.065 0.000 0.657 652 V HN 0.457 nan 8.190 nan 0.000 0.455 653 E N 0.570 120.664 120.200 -0.176 0.000 2.130 653 E HA -0.167 4.183 4.350 0.001 0.000 0.196 653 E C 2.078 178.575 176.600 -0.172 0.000 0.998 653 E CA 1.609 57.851 56.400 -0.265 0.000 0.806 653 E CB -0.553 28.982 29.700 -0.274 0.000 0.738 653 E HN 0.520 nan 8.360 nan 0.000 0.459 654 V N 0.198 120.049 119.914 -0.104 0.000 2.446 654 V HA -0.127 3.994 4.120 0.001 0.000 0.244 654 V C 2.111 178.183 176.094 -0.037 0.000 1.039 654 V CA 0.943 63.208 62.300 -0.057 0.000 1.045 654 V CB -0.323 31.482 31.823 -0.030 0.000 0.681 654 V HN 0.231 nan 8.190 nan 0.000 0.459 655 L N -0.582 120.615 121.223 -0.045 0.000 1.989 655 L HA -0.267 4.073 4.340 0.001 0.000 0.211 655 L C 2.723 179.553 176.870 -0.066 0.000 1.071 655 L CA 1.972 56.800 54.840 -0.021 0.000 0.749 655 L CB -0.864 41.170 42.059 -0.041 0.000 0.890 655 L HN 0.388 nan 8.230 nan 0.000 0.431 656 C N -1.072 118.155 119.300 -0.122 0.000 2.376 656 C HA -0.245 4.215 4.460 0.001 0.000 0.275 656 C C 3.333 178.217 174.990 -0.176 0.000 1.200 656 C CA 1.453 60.372 59.018 -0.164 0.000 1.756 656 C CB -0.919 26.709 27.740 -0.187 0.000 2.050 656 C HN 0.612 nan 8.230 nan 0.000 0.460 657 S N 0.019 115.636 115.700 -0.137 0.000 2.365 657 S HA -0.267 4.204 4.470 0.001 0.000 0.225 657 S C 1.899 176.456 174.600 -0.072 0.000 1.039 657 S CA 2.052 60.203 58.200 -0.081 0.000 1.033 657 S CB -0.334 62.859 63.200 -0.011 0.000 0.887 657 S HN 0.770 nan 8.310 nan 0.000 0.447 658 Q N 0.135 119.909 119.800 -0.044 0.000 2.084 658 Q HA -0.030 4.311 4.340 0.001 0.000 0.202 658 Q C 2.248 178.132 176.000 -0.193 0.000 0.978 658 Q CA 1.648 57.412 55.803 -0.065 0.000 0.844 658 Q CB -0.322 28.485 28.738 0.116 0.000 0.898 658 Q HN 0.577 nan 8.270 nan 0.000 0.426 659 I N 0.737 121.202 120.570 -0.174 0.000 2.163 659 I HA -0.314 3.856 4.170 0.001 0.000 0.243 659 I C 2.202 178.138 176.117 -0.302 0.000 1.085 659 I CA 1.152 62.308 61.300 -0.240 0.000 1.347 659 I CB -0.294 37.531 38.000 -0.291 0.000 1.044 659 I HN 0.201 nan 8.210 nan 0.000 0.408 660 L N 0.106 121.097 121.223 -0.387 0.000 2.013 660 L HA -0.279 4.061 4.340 0.001 0.000 0.212 660 L C 2.667 179.199 176.870 -0.563 0.000 1.073 660 L CA 1.642 56.078 54.840 -0.673 0.000 0.753 660 L CB -0.592 40.747 42.059 -1.201 0.000 0.890 660 L HN 0.214 nan 8.230 nan 0.000 0.432 661 S N -0.311 115.230 115.700 -0.264 0.000 2.383 661 S HA -0.095 4.376 4.470 0.001 0.000 0.227 661 S C 1.868 176.380 174.600 -0.147 0.000 1.026 661 S CA 1.051 59.245 58.200 -0.010 0.000 0.981 661 S CB -0.266 62.947 63.200 0.022 0.000 0.818 661 S HN 0.315 nan 8.310 nan 0.000 0.472 662 L N 1.822 122.886 121.223 -0.264 0.000 2.465 662 L HA -0.035 4.305 4.340 0.001 0.000 0.224 662 L C 2.617 179.338 176.870 -0.249 0.000 1.145 662 L CA 1.117 55.768 54.840 -0.315 0.000 0.834 662 L CB -0.951 40.847 42.059 -0.436 0.000 0.944 662 L HN 0.463 nan 8.230 nan 0.000 0.451 663 T N -2.828 111.596 114.554 -0.216 0.000 3.007 663 T HA -0.105 4.245 4.350 0.001 0.000 0.270 663 T C 1.624 176.230 174.700 -0.157 0.000 1.107 663 T CA 0.729 62.721 62.100 -0.180 0.000 1.118 663 T CB -0.269 68.502 68.868 -0.163 0.000 0.889 663 T HN 0.299 nan 8.240 nan 0.000 0.506 664 L N -0.459 120.678 121.223 -0.143 0.000 2.492 664 L HA 0.254 4.594 4.340 0.001 0.000 0.223 664 L C 2.091 178.770 176.870 -0.318 0.000 1.132 664 L CA 0.233 54.993 54.840 -0.135 0.000 0.850 664 L CB -0.422 41.608 42.059 -0.047 0.000 0.966 664 L HN 0.229 nan 8.230 nan 0.000 0.454 665 M N -0.404 119.010 119.600 -0.310 0.000 2.563 665 M HA 0.039 4.519 4.480 0.001 0.000 0.231 665 M C 0.970 177.151 176.300 -0.198 0.000 1.136 665 M CA 0.608 55.681 55.300 -0.379 0.000 1.026 665 M CB -0.717 31.818 32.600 -0.110 0.000 1.597 665 M HN 0.208 nan 8.290 nan 0.000 0.495 666 N N -0.028 118.553 118.700 -0.198 0.000 2.373 666 N HA -0.013 4.728 4.740 0.001 0.000 0.181 666 N C -0.350 175.204 175.510 0.073 0.000 1.082 666 N CA 0.161 53.176 53.050 -0.058 0.000 0.885 666 N CB 0.063 38.403 38.487 -0.247 0.000 0.977 666 N HN 0.322 nan 8.380 nan 0.000 0.462 667 Y N 0.039 120.335 120.300 -0.007 0.000 3.168 667 Y HA -0.250 4.301 4.550 0.001 0.000 0.207 667 Y C -0.317 175.616 175.900 0.056 0.000 1.280 667 Y CA 0.200 58.329 58.100 0.048 0.000 1.235 667 Y CB -2.608 35.804 38.460 -0.080 0.000 1.370 667 Y HN -0.058 nan 8.280 nan 0.000 0.537 668 S N -1.740 114.043 115.700 0.138 0.000 2.327 668 S HA 0.211 4.682 4.470 0.001 0.000 0.203 668 S C 1.029 175.723 174.600 0.157 0.000 1.326 668 S CA -0.068 58.199 58.200 0.111 0.000 1.248 668 S CB 1.158 64.389 63.200 0.052 0.000 1.199 668 S HN 0.497 nan 8.310 nan 0.000 0.422 669 S N 1.051 116.891 115.700 0.234 0.000 2.420 669 S HA -0.132 4.338 4.470 0.001 0.000 0.237 669 S C 1.067 175.854 174.600 0.311 0.000 1.023 669 S CA 1.359 59.712 58.200 0.255 0.000 0.991 669 S CB -0.346 63.023 63.200 0.282 0.000 0.792 669 S HN 0.525 nan 8.310 nan 0.000 0.488 670 F N 1.520 121.454 119.950 -0.027 0.000 2.530 670 F HA 0.331 4.859 4.527 0.001 0.000 0.292 670 F C 1.178 176.983 175.800 0.008 0.000 1.109 670 F CA -0.027 57.941 58.000 -0.052 0.000 1.450 670 F CB -0.050 38.880 39.000 -0.118 0.000 1.114 670 F HN 0.377 nan 8.300 nan 0.000 0.560 671 Q N 0.225 120.159 119.800 0.224 0.000 3.244 671 Q HA 0.369 4.709 4.340 0.001 0.000 0.249 671 Q C -3.010 173.056 176.000 0.108 0.000 0.951 671 Q CA -2.089 53.800 55.803 0.144 0.000 0.740 671 Q CB 0.612 29.430 28.738 0.133 0.000 1.334 671 Q HN 0.054 nan 8.270 nan 0.000 0.448 672 P HA 0.033 nan 4.420 nan 0.000 0.263 672 P C -0.250 177.078 177.300 0.046 0.000 1.175 672 P CA 0.462 63.603 63.100 0.069 0.000 0.761 672 P CB 0.597 32.349 31.700 0.087 0.000 0.794 673 I N 3.690 124.241 120.570 -0.032 0.000 2.331 673 I HA 0.124 4.294 4.170 0.001 0.000 0.292 673 I C 1.816 177.878 176.117 -0.091 0.000 0.998 673 I CA -0.425 60.817 61.300 -0.096 0.000 1.267 673 I CB 1.427 39.232 38.000 -0.325 0.000 1.386 673 I HN 0.457 nan 8.210 nan 0.000 0.476 674 K N 6.658 127.018 120.400 -0.066 0.000 2.063 674 K HA -0.090 4.230 4.320 0.001 0.000 0.208 674 K C 0.164 176.714 176.600 -0.083 0.000 1.048 674 K CA 1.171 57.404 56.287 -0.089 0.000 0.928 674 K CB 0.038 32.380 32.500 -0.262 0.000 0.713 674 K HN 0.440 nan 8.250 nan 0.000 0.442 675 L N 2.125 123.313 121.223 -0.059 0.000 2.399 675 L HA 0.374 4.714 4.340 0.001 0.000 0.265 675 L C -2.167 174.652 176.870 -0.085 0.000 1.089 675 L CA -2.673 52.138 54.840 -0.047 0.000 0.802 675 L CB 0.755 42.833 42.059 0.032 0.000 1.180 675 L HN 0.107 nan 8.230 nan 0.000 0.454 676 P HA 0.035 nan 4.420 nan 0.000 0.272 676 P C -0.039 177.208 177.300 -0.087 0.000 1.230 676 P CA -0.353 62.661 63.100 -0.144 0.000 0.788 676 P CB 0.892 32.489 31.700 -0.171 0.000 0.949 677 A N 2.082 124.809 122.820 -0.155 0.000 2.024 677 A HA -0.164 4.157 4.320 0.001 0.000 0.220 677 A C 1.937 179.527 177.584 0.011 0.000 1.164 677 A CA 2.357 54.395 52.037 0.000 0.000 0.643 677 A CB -1.964 17.030 19.000 -0.009 0.000 0.806 677 A HN 0.680 nan 8.150 nan 0.000 0.451 678 T N -1.797 112.609 114.554 -0.246 0.000 2.833 678 T HA -0.076 4.274 4.350 0.001 0.000 0.269 678 T C 1.379 176.077 174.700 -0.004 0.000 1.054 678 T CA 1.703 63.735 62.100 -0.113 0.000 1.135 678 T CB -0.611 68.179 68.868 -0.130 0.000 0.869 678 T HN 0.943 nan 8.240 nan 0.000 0.466 679 V N -2.723 117.204 119.914 0.022 0.000 3.432 679 V HA 0.334 4.454 4.120 0.001 0.000 0.298 679 V C 0.745 176.872 176.094 0.054 0.000 1.464 679 V CA -0.791 61.518 62.300 0.015 0.000 1.046 679 V CB -0.915 30.915 31.823 0.012 0.000 0.887 679 V HN 0.590 nan 8.190 nan 0.000 0.441 680 H N 0.837 119.902 119.070 -0.009 0.000 3.107 680 H HA 0.063 4.619 4.556 0.001 0.000 0.301 680 H C 0.449 175.821 175.328 0.074 0.000 0.981 680 H CA 1.029 57.087 56.048 0.017 0.000 1.443 680 H CB 0.166 29.920 29.762 -0.013 0.000 1.479 680 H HN 0.409 nan 8.280 nan 0.000 0.564 681 Y N 1.966 121.983 120.300 -0.473 0.000 4.916 681 Y HA -0.343 4.208 4.550 0.001 0.000 0.247 681 Y C 2.208 177.967 175.900 -0.234 0.000 0.962 681 Y CA 0.831 58.690 58.100 -0.403 0.000 1.933 681 Y CB -2.127 36.045 38.460 -0.480 0.000 1.451 681 Y HN 0.555 nan 8.280 nan 0.000 0.539 682 S N -0.212 115.511 115.700 0.038 0.000 2.370 682 S HA -0.203 4.268 4.470 0.001 0.000 0.226 682 S C 1.680 176.339 174.600 0.097 0.000 1.033 682 S CA 1.655 59.963 58.200 0.179 0.000 1.011 682 S CB -0.147 63.099 63.200 0.076 0.000 0.852 682 S HN 0.661 nan 8.310 nan 0.000 0.457 683 D N 0.803 121.216 120.400 0.021 0.000 2.084 683 D HA -0.071 4.570 4.640 0.001 0.000 0.199 683 D C 1.946 178.204 176.300 -0.072 0.000 0.981 683 D CA 1.304 55.296 54.000 -0.013 0.000 0.841 683 D CB -0.262 40.531 40.800 -0.010 0.000 0.997 683 D HN 0.214 nan 8.370 nan 0.000 0.454 684 K N -0.013 120.316 120.400 -0.117 0.000 2.108 684 K HA -0.266 4.055 4.320 0.001 0.000 0.219 684 K C 2.216 178.687 176.600 -0.214 0.000 1.054 684 K CA 2.089 58.254 56.287 -0.204 0.000 0.945 684 K CB -0.493 31.773 32.500 -0.390 0.000 0.728 684 K HN 0.251 nan 8.250 nan 0.000 0.462 685 I N 0.464 120.878 120.570 -0.261 0.000 2.142 685 I HA -0.302 3.868 4.170 0.001 0.000 0.240 685 I C 2.483 178.441 176.117 -0.264 0.000 1.078 685 I CA 1.862 62.956 61.300 -0.343 0.000 1.343 685 I CB -0.671 36.931 38.000 -0.663 0.000 1.046 685 I HN 0.538 nan 8.210 nan 0.000 0.405 686 T N -0.548 113.893 114.554 -0.187 0.000 2.635 686 T HA -0.272 4.079 4.350 0.001 0.000 0.267 686 T C 1.831 176.493 174.700 -0.063 0.000 1.040 686 T CA 1.451 63.500 62.100 -0.084 0.000 1.156 686 T CB -0.498 68.375 68.868 0.008 0.000 0.863 686 T HN 0.308 nan 8.240 nan 0.000 0.430 687 K N 0.775 121.139 120.400 -0.060 0.000 2.103 687 K HA 0.199 4.519 4.320 0.001 0.000 0.204 687 K C 2.436 179.008 176.600 -0.047 0.000 1.052 687 K CA 0.842 57.106 56.287 -0.039 0.000 0.945 687 K CB -0.433 32.046 32.500 -0.036 0.000 0.722 687 K HN 0.277 nan 8.250 nan 0.000 0.443 688 L N 0.958 122.135 121.223 -0.076 0.000 1.989 688 L HA -0.213 4.128 4.340 0.001 0.000 0.211 688 L C 2.206 179.039 176.870 -0.062 0.000 1.071 688 L CA 1.498 56.292 54.840 -0.077 0.000 0.749 688 L CB -0.115 41.877 42.059 -0.112 0.000 0.890 688 L HN 0.291 nan 8.230 nan 0.000 0.431 689 M N -1.084 118.473 119.600 -0.072 0.000 2.492 689 M HA -0.124 4.356 4.480 0.001 0.000 0.262 689 M C 2.030 178.319 176.300 -0.019 0.000 1.090 689 M CA 0.734 56.004 55.300 -0.050 0.000 1.110 689 M CB -0.645 31.916 32.600 -0.065 0.000 1.407 689 M HN 0.279 nan 8.290 nan 0.000 0.470 690 L N 0.705 121.920 121.223 -0.014 0.000 2.353 690 L HA -0.092 4.249 4.340 0.001 0.000 0.220 690 L C 2.079 178.955 176.870 0.010 0.000 1.133 690 L CA 1.643 56.487 54.840 0.008 0.000 0.798 690 L CB -0.523 41.542 42.059 0.009 0.000 0.922 690 L HN 0.157 nan 8.230 nan 0.000 0.445 691 R N -0.556 119.943 120.500 -0.002 0.000 2.335 691 R HA 0.167 4.507 4.340 0.001 0.000 0.223 691 R C 0.701 177.002 176.300 0.002 0.000 0.940 691 R CA 0.263 56.364 56.100 0.002 0.000 1.086 691 R CB -0.282 30.015 30.300 -0.005 0.000 1.073 691 R HN 0.421 nan 8.270 nan 0.000 0.504 692 G N 0.397 109.198 108.800 0.002 0.000 2.491 692 G HA2 -0.034 3.927 3.960 0.001 0.000 0.238 692 G HA3 -0.034 3.927 3.960 0.001 0.000 0.238 692 G C 0.908 175.814 174.900 0.010 0.000 1.277 692 G CA -0.524 44.578 45.100 0.003 0.000 0.851 692 G HN 0.159 nan 8.290 nan 0.000 0.573 693 I N 0.089 120.664 120.570 0.008 0.000 2.394 693 I HA 0.009 4.180 4.170 0.001 0.000 0.251 693 I C 1.256 177.382 176.117 0.014 0.000 1.136 693 I CA 1.281 62.587 61.300 0.011 0.000 1.425 693 I CB 0.019 38.024 38.000 0.009 0.000 1.079 693 I HN 0.745 nan 8.210 nan 0.000 0.425 694 E N 1.167 121.375 120.200 0.013 0.000 2.383 694 E HA 0.428 4.779 4.350 0.001 0.000 0.275 694 E C -2.609 174.001 176.600 0.018 0.000 0.918 694 E CA -1.897 54.513 56.400 0.016 0.000 0.764 694 E CB 1.463 31.169 29.700 0.012 0.000 1.252 694 E HN -0.151 nan 8.360 nan 0.000 0.449 695 P HA 0.272 nan 4.420 nan 0.000 0.272 695 P C -0.887 176.421 177.300 0.014 0.000 1.223 695 P CA -0.249 62.865 63.100 0.022 0.000 0.784 695 P CB 0.886 32.601 31.700 0.025 0.000 0.923 696 I N 0.753 121.331 120.570 0.014 0.000 2.785 696 I HA 0.438 4.609 4.170 0.001 0.000 0.302 696 I C -0.310 175.818 176.117 0.020 0.000 1.069 696 I CA -0.671 60.641 61.300 0.019 0.000 1.045 696 I CB 2.169 40.186 38.000 0.028 0.000 1.236 696 I HN 0.180 nan 8.210 nan 0.000 0.429 697 K N 5.603 126.022 120.400 0.032 0.000 2.731 697 K HA 0.437 4.757 4.320 0.001 0.000 0.257 697 K C -1.701 174.944 176.600 0.075 0.000 1.032 697 K CA -0.615 55.701 56.287 0.047 0.000 0.983 697 K CB 1.427 33.935 32.500 0.013 0.000 1.248 697 K HN 0.514 nan 8.250 nan 0.000 0.484 698 K N 1.830 122.306 120.400 0.127 0.000 2.464 698 K HA 0.296 4.616 4.320 0.001 0.000 0.253 698 K C -1.431 175.228 176.600 0.099 0.000 0.933 698 K CA -0.703 55.656 56.287 0.119 0.000 0.801 698 K CB 2.591 35.173 32.500 0.136 0.000 1.271 698 K HN 0.504 nan 8.250 nan 0.000 0.430 699 E N 1.440 121.601 120.200 -0.064 0.000 2.275 699 E HA 0.659 5.010 4.350 0.001 0.000 0.270 699 E C -1.161 175.093 176.600 -0.577 0.000 0.882 699 E CA -0.837 55.343 56.400 -0.366 0.000 0.758 699 E CB 1.731 31.373 29.700 -0.098 0.000 1.195 699 E HN 0.713 nan 8.360 nan 0.000 0.419 700 G N 1.930 109.990 108.800 -1.232 0.000 2.687 700 G HA2 0.351 4.312 3.960 0.001 0.000 0.291 700 G HA3 0.351 4.312 3.960 0.001 0.000 0.291 700 G C -1.126 173.400 174.900 -0.623 0.000 1.420 700 G CA -0.400 44.210 45.100 -0.817 0.000 0.796 700 G HN 0.596 nan 8.290 nan 0.000 0.485 701 D N -1.060 119.252 120.400 -0.145 0.000 2.740 701 D HA 0.334 4.974 4.640 0.001 0.000 0.301 701 D C -0.335 176.005 176.300 0.066 0.000 1.408 701 D CA -0.069 53.908 54.000 -0.039 0.000 0.808 701 D CB 0.160 40.921 40.800 -0.065 0.000 1.128 701 D HN 0.264 nan 8.370 nan 0.000 0.465 702 I N 0.117 120.826 120.570 0.231 0.000 2.656 702 I HA 0.256 4.426 4.170 0.001 0.000 0.292 702 I C 0.105 176.215 176.117 -0.011 0.000 1.144 702 I CA -0.696 60.663 61.300 0.098 0.000 1.038 702 I CB 2.587 40.647 38.000 0.099 0.000 1.244 702 I HN -0.195 nan 8.210 nan 0.000 0.420 703 M N 6.391 125.752 119.600 -0.398 0.000 3.706 703 M HA 0.093 4.574 4.480 0.001 0.000 0.204 703 M C 0.594 176.202 176.300 -1.153 0.000 1.455 703 M CA -0.041 54.515 55.300 -1.239 0.000 1.659 703 M CB -0.505 31.468 32.600 -1.044 0.000 1.076 703 M HN 0.649 nan 8.290 nan 0.000 0.577 704 Y N -1.104 118.833 120.300 -0.606 0.000 2.569 704 Y HA -0.150 4.400 4.550 0.001 0.000 0.293 704 Y C 1.520 177.325 175.900 -0.158 0.000 1.144 704 Y CA 0.675 58.619 58.100 -0.260 0.000 1.321 704 Y CB -0.913 37.504 38.460 -0.071 0.000 0.982 704 Y HN 0.650 nan 8.280 nan 0.000 0.558 705 W N 0.528 121.495 121.300 -0.555 0.000 3.003 705 W HA 0.337 4.997 4.660 0.001 0.000 0.257 705 W C 0.143 176.664 176.519 0.004 0.000 1.308 705 W CA -0.956 56.181 57.345 -0.346 0.000 1.529 705 W CB -0.835 28.347 29.460 -0.462 0.000 1.115 705 W HN -0.124 nan 8.180 nan 0.000 0.659 706 L N 0.000 121.031 121.223 -0.320 0.000 2.949 706 L HA 0.000 4.340 4.340 0.001 0.000 0.249 706 L CA 0.000 54.776 54.840 -0.107 0.000 0.813 706 L CB 0.000 41.918 42.059 -0.235 0.000 0.961 706 L HN 0.000 nan 8.230 nan 0.000 0.502