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 1j0y_1_D DATA FIRST_RESID 1 DATA SEQUENCE AVNGKGMNPD YKAYLMAPLK KIPEVTNWET FENDLRWAKQ NGFYAITVDF DATA SEQUENCE WWGDMEKNGD QQFDFSYAQR FAQSVKNAGM KMIPIISTHQ cGGNVGDDcN DATA SEQUENCE VPIPSWVWNQ KSDDSLYFKS ETGTVNKETL NPLASDVIRK EYGELYTAFA DATA SEQUENCE AAMKPYKDVI AKIYLSGGPA GELRYPSYTT SDGTGYPSRG KFQAYTEFAK DATA SEQUENCE SKFRLWVLNK YGSLNEVNKA WGTKLISELA ILPPSDGEQF LMNGYLSMYG DATA SEQUENCE KDYLEWYQGI LENHTKLIGE LAHNAFDTTF QVPIGAKIAG VHWQYNNPTI DATA SEQUENCE PHGAEKPAGY NDYSHLLDAF KSAKLDVTFT CLEMTDKGSY PEYSMPKTLV DATA SEQUENCE QNIATLANEK GIVLNGENAL SIGNEEEYKR VAEMAFNYNF AGFTLLRYQD DATA SEQUENCE VMYNNSLMGK FKDLLGVTPV MQTIVVKNVP TTIGDTVYIT GNRAELGSWD DATA SEQUENCE TKQYPIQLYY DSHSNDWRGN VVLPAERNIE FKAFIKSKDG TVKSWQTIQQ DATA SEQUENCE SWNPVPLKTT SHTSSW 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.590 177.584 0.011 0.000 1.274 1 A CA 0.000 51.985 52.037 -0.086 0.000 0.836 1 A CB 0.000 18.942 19.000 -0.096 0.000 0.831 2 V N 2.372 122.239 119.914 -0.079 0.000 2.694 2 V HA 0.165 4.286 4.120 0.001 0.000 0.306 2 V C 0.502 176.602 176.094 0.011 0.000 1.054 2 V CA 1.109 63.388 62.300 -0.035 0.000 1.161 2 V CB 0.066 31.770 31.823 -0.199 0.000 0.916 2 V HN 1.010 nan 8.190 nan 0.000 0.490 3 N N 3.415 122.145 118.700 0.049 0.000 2.783 3 N HA -0.189 4.552 4.740 0.001 0.000 0.247 3 N C 1.012 176.582 175.510 0.100 0.000 1.089 3 N CA 1.301 54.393 53.050 0.070 0.000 0.690 3 N CB -1.433 37.083 38.487 0.049 0.000 0.991 3 N HN 1.503 nan 8.380 nan 0.000 0.552 4 G N -1.194 107.691 108.800 0.142 0.000 2.186 4 G HA2 -0.401 3.560 3.960 0.001 0.000 0.266 4 G HA3 -0.401 3.560 3.960 0.001 0.000 0.266 4 G C 0.308 175.270 174.900 0.102 0.000 0.982 4 G CA 1.301 46.501 45.100 0.167 0.000 0.670 4 G HN 0.599 nan 8.290 nan 0.000 0.533 5 K N -0.043 120.400 120.400 0.072 0.000 2.127 5 K HA 0.574 4.895 4.320 0.001 0.000 0.240 5 K C 1.127 177.739 176.600 0.019 0.000 1.024 5 K CA -0.094 56.218 56.287 0.042 0.000 0.918 5 K CB 0.862 33.375 32.500 0.022 0.000 1.108 5 K HN 0.225 nan 8.250 nan 0.000 0.485 6 G N 0.181 108.980 108.800 -0.001 0.000 2.795 6 G HA2 0.412 4.373 3.960 0.001 0.000 0.267 6 G HA3 0.412 4.373 3.960 0.001 0.000 0.267 6 G C -0.238 174.640 174.900 -0.037 0.000 1.362 6 G CA -0.943 44.137 45.100 -0.033 0.000 1.048 6 G HN 0.650 nan 8.290 nan 0.000 0.547 7 M N -0.130 119.429 119.600 -0.068 0.000 2.198 7 M HA 0.306 4.786 4.480 0.001 0.000 0.315 7 M C 0.047 176.350 176.300 0.005 0.000 1.134 7 M CA -0.553 54.726 55.300 -0.034 0.000 1.171 7 M CB 0.435 32.941 32.600 -0.156 0.000 1.413 7 M HN 0.375 nan 8.290 nan 0.000 0.467 8 N N 2.912 121.659 118.700 0.078 0.000 2.452 8 N HA 0.128 4.868 4.740 0.001 0.000 0.266 8 N C -1.786 173.776 175.510 0.086 0.000 1.209 8 N CA -1.411 51.697 53.050 0.095 0.000 0.929 8 N CB 0.784 39.369 38.487 0.163 0.000 1.063 8 N HN 0.503 nan 8.380 nan 0.000 0.472 9 P HA -0.056 nan 4.420 nan 0.000 0.225 9 P C -0.183 177.134 177.300 0.029 0.000 1.148 9 P CA 0.995 64.106 63.100 0.017 0.000 0.779 9 P CB 0.473 32.171 31.700 -0.004 0.000 0.780 10 D N -1.611 118.819 120.400 0.051 0.000 2.340 10 D HA -0.013 4.628 4.640 0.001 0.000 0.217 10 D C 0.556 176.876 176.300 0.033 0.000 1.081 10 D CA -0.363 53.650 54.000 0.022 0.000 0.842 10 D CB -0.573 40.239 40.800 0.019 0.000 0.934 10 D HN 0.227 nan 8.370 nan 0.000 0.511 11 Y N 2.507 122.804 120.300 -0.005 0.000 2.712 11 Y HA -0.014 4.536 4.550 0.001 0.000 0.333 11 Y C 0.077 175.933 175.900 -0.073 0.000 1.225 11 Y CA 0.350 58.463 58.100 0.021 0.000 1.499 11 Y CB 0.346 38.867 38.460 0.103 0.000 1.288 11 Y HN -0.349 nan 8.280 nan 0.000 0.575 12 K N 4.664 124.445 120.400 -1.031 0.000 2.502 12 K HA 0.694 5.014 4.320 0.001 0.000 0.257 12 K C -1.375 174.460 176.600 -1.275 0.000 0.938 12 K CA -0.731 54.965 56.287 -0.986 0.000 0.819 12 K CB 1.999 34.028 32.500 -0.787 0.000 1.333 12 K HN 0.666 nan 8.250 nan 0.000 0.434 13 A N 2.352 124.695 122.820 -0.795 0.000 2.312 13 A HA 0.798 5.118 4.320 0.001 0.000 0.326 13 A C -1.314 176.121 177.584 -0.248 0.000 1.172 13 A CA -0.424 51.399 52.037 -0.357 0.000 0.821 13 A CB 0.435 19.436 19.000 0.002 0.000 1.166 13 A HN 0.604 nan 8.150 nan 0.000 0.493 14 Y N 0.341 120.857 120.300 0.359 0.000 2.576 14 Y HA 0.643 5.194 4.550 0.001 0.000 0.346 14 Y C -0.454 175.557 175.900 0.186 0.000 1.018 14 Y CA -1.087 57.188 58.100 0.293 0.000 1.050 14 Y CB 2.078 40.620 38.460 0.137 0.000 1.280 14 Y HN 0.607 nan 8.280 nan 0.000 0.474 15 L N 2.358 123.613 121.223 0.053 0.000 2.365 15 L HA 0.565 4.906 4.340 0.001 0.000 0.273 15 L C -1.025 175.777 176.870 -0.113 0.000 1.000 15 L CA -0.865 53.779 54.840 -0.327 0.000 0.819 15 L CB 1.647 43.139 42.059 -0.945 0.000 1.284 15 L HN 0.666 nan 8.230 nan 0.000 0.418 16 M N 3.934 123.474 119.600 -0.099 0.000 2.185 16 M HA 0.477 4.958 4.480 0.001 0.000 0.357 16 M C 0.351 176.665 176.300 0.024 0.000 1.260 16 M CA -0.291 54.976 55.300 -0.056 0.000 1.124 16 M CB 1.334 33.892 32.600 -0.071 0.000 1.600 16 M HN 0.845 nan 8.290 nan 0.000 0.467 17 A N 5.732 128.560 122.820 0.014 0.000 2.296 17 A HA 0.609 4.930 4.320 0.001 0.000 0.264 17 A C -2.500 175.058 177.584 -0.043 0.000 1.097 17 A CA -1.314 50.740 52.037 0.027 0.000 0.811 17 A CB -0.404 18.619 19.000 0.040 0.000 1.072 17 A HN 0.462 nan 8.150 nan 0.000 0.495 18 P HA 0.075 nan 4.420 nan 0.000 0.271 18 P C 0.611 177.908 177.300 -0.004 0.000 1.233 18 P CA -0.370 62.684 63.100 -0.077 0.000 0.789 18 P CB 0.363 31.964 31.700 -0.164 0.000 0.951 19 L N 0.530 121.783 121.223 0.051 0.000 2.131 19 L HA 0.043 4.383 4.340 0.001 0.000 0.206 19 L C 0.968 177.930 176.870 0.154 0.000 1.087 19 L CA 1.700 56.636 54.840 0.160 0.000 0.767 19 L CB -1.022 41.110 42.059 0.122 0.000 0.917 19 L HN 0.310 nan 8.230 nan 0.000 0.441 20 K N -0.009 120.409 120.400 0.030 0.000 2.107 20 K HA 0.153 4.474 4.320 0.001 0.000 0.251 20 K C 0.214 176.784 176.600 -0.049 0.000 1.012 20 K CA -0.488 55.783 56.287 -0.027 0.000 0.920 20 K CB 0.640 33.103 32.500 -0.062 0.000 1.033 20 K HN -0.050 nan 8.250 nan 0.000 0.478 21 K N 1.531 121.854 120.400 -0.128 0.000 2.380 21 K HA 0.003 4.324 4.320 0.001 0.000 0.267 21 K C 1.305 177.807 176.600 -0.163 0.000 0.990 21 K CA -0.382 55.777 56.287 -0.213 0.000 0.946 21 K CB 0.347 32.559 32.500 -0.479 0.000 0.937 21 K HN 0.399 nan 8.250 nan 0.000 0.491 22 I N 3.047 123.532 120.570 -0.143 0.000 2.194 22 I HA -0.181 3.990 4.170 0.001 0.000 0.246 22 I C -0.835 174.974 176.117 -0.514 0.000 1.093 22 I CA 1.419 62.422 61.300 -0.496 0.000 1.355 22 I CB -1.976 35.378 38.000 -1.078 0.000 1.046 22 I HN 0.523 nan 8.210 nan 0.000 0.413 23 P HA -0.106 nan 4.420 nan 0.000 0.226 23 P C 1.328 178.512 177.300 -0.194 0.000 1.153 23 P CA 1.137 64.024 63.100 -0.355 0.000 0.777 23 P CB -0.006 31.562 31.700 -0.219 0.000 0.794 24 E N -1.248 118.848 120.200 -0.173 0.000 2.299 24 E HA -0.016 4.335 4.350 0.001 0.000 0.193 24 E C 1.508 178.048 176.600 -0.099 0.000 0.998 24 E CA 0.572 56.902 56.400 -0.118 0.000 0.851 24 E CB -0.016 29.616 29.700 -0.113 0.000 0.795 24 E HN 0.120 nan 8.360 nan 0.000 0.492 25 V N -0.226 119.617 119.914 -0.118 0.000 2.690 25 V HA 0.024 4.145 4.120 0.001 0.000 0.240 25 V C 1.255 177.323 176.094 -0.043 0.000 1.078 25 V CA 1.280 63.539 62.300 -0.067 0.000 1.102 25 V CB 1.039 32.818 31.823 -0.072 0.000 0.800 25 V HN 0.163 nan 8.190 nan 0.000 0.479 26 T N -0.490 114.012 114.554 -0.087 0.000 2.570 26 T HA 0.417 4.767 4.350 0.001 0.000 0.239 26 T C -1.607 173.021 174.700 -0.120 0.000 0.829 26 T CA 0.004 62.081 62.100 -0.038 0.000 1.264 26 T CB 1.173 70.091 68.868 0.084 0.000 1.546 26 T HN 0.538 nan 8.240 nan 0.000 0.465 27 N N -1.181 117.474 118.700 -0.076 0.000 2.357 27 N HA 0.364 5.105 4.740 0.001 0.000 0.284 27 N C 0.093 175.585 175.510 -0.029 0.000 1.236 27 N CA -0.879 52.101 53.050 -0.118 0.000 0.774 27 N CB 0.313 38.801 38.487 0.001 0.000 1.534 27 N HN 0.735 nan 8.380 nan 0.000 0.478 28 W N -0.101 121.253 121.300 0.091 0.000 2.325 28 W HA -0.108 4.552 4.660 0.001 0.000 0.299 28 W C 1.416 178.034 176.519 0.166 0.000 1.215 28 W CA 0.853 58.272 57.345 0.123 0.000 1.244 28 W CB -0.043 29.459 29.460 0.071 0.000 1.140 28 W HN 0.639 nan 8.180 nan 0.000 0.523 29 E N -0.590 119.805 120.200 0.325 0.000 2.072 29 E HA -0.135 4.216 4.350 0.001 0.000 0.191 29 E C 2.090 178.801 176.600 0.184 0.000 0.985 29 E CA 1.991 58.520 56.400 0.215 0.000 0.801 29 E CB -0.894 28.896 29.700 0.149 0.000 0.750 29 E HN 0.073 nan 8.360 nan 0.000 0.452 30 T N 0.707 115.372 114.554 0.185 0.000 2.812 30 T HA -0.099 4.251 4.350 0.001 0.000 0.264 30 T C 1.483 176.326 174.700 0.238 0.000 1.042 30 T CA 0.885 63.089 62.100 0.172 0.000 1.140 30 T CB -0.412 68.550 68.868 0.158 0.000 0.870 30 T HN 0.137 nan 8.240 nan 0.000 0.445 31 F N 2.335 122.362 119.950 0.128 0.000 2.091 31 F HA -0.143 4.384 4.527 0.001 0.000 0.299 31 F C 2.177 178.060 175.800 0.138 0.000 1.103 31 F CA 1.505 59.595 58.000 0.150 0.000 1.228 31 F CB -0.452 38.605 39.000 0.095 0.000 0.984 31 F HN 0.188 nan 8.300 nan 0.000 0.477 32 E N -0.196 120.044 120.200 0.067 0.000 2.110 32 E HA -0.229 4.122 4.350 0.001 0.000 0.193 32 E C 1.967 178.532 176.600 -0.058 0.000 0.988 32 E CA 1.212 57.565 56.400 -0.079 0.000 0.804 32 E CB -0.252 29.475 29.700 0.045 0.000 0.745 32 E HN 0.405 nan 8.360 nan 0.000 0.458 33 N N 0.997 119.710 118.700 0.022 0.000 2.106 33 N HA -0.139 4.602 4.740 0.001 0.000 0.188 33 N C 1.323 176.861 175.510 0.046 0.000 1.029 33 N CA 1.144 54.215 53.050 0.035 0.000 0.848 33 N CB -0.299 38.214 38.487 0.044 0.000 1.007 33 N HN 0.119 nan 8.380 nan 0.000 0.423 34 D N 0.768 121.195 120.400 0.045 0.000 2.123 34 D HA -0.089 4.552 4.640 0.001 0.000 0.196 34 D C 2.096 178.381 176.300 -0.025 0.000 0.992 34 D CA 0.523 54.556 54.000 0.055 0.000 0.833 34 D CB -0.293 40.573 40.800 0.111 0.000 0.954 34 D HN 0.246 nan 8.370 nan 0.000 0.455 35 L N 0.103 121.217 121.223 -0.182 0.000 2.093 35 L HA -0.085 4.256 4.340 0.001 0.000 0.208 35 L C 2.486 179.314 176.870 -0.070 0.000 1.085 35 L CA 0.955 55.665 54.840 -0.217 0.000 0.755 35 L CB -0.215 41.602 42.059 -0.403 0.000 0.904 35 L HN -0.029 nan 8.230 nan 0.000 0.435 36 R N -0.842 119.653 120.500 -0.008 0.000 2.115 36 R HA -0.194 4.146 4.340 0.001 0.000 0.230 36 R C 2.168 178.559 176.300 0.153 0.000 1.111 36 R CA 1.540 57.673 56.100 0.055 0.000 0.976 36 R CB -0.362 29.974 30.300 0.060 0.000 0.870 36 R HN 0.549 nan 8.270 nan 0.000 0.445 37 W N 1.308 122.583 121.300 -0.043 0.000 2.381 37 W HA -0.161 4.499 4.660 0.001 0.000 0.301 37 W C 1.883 178.407 176.519 0.009 0.000 1.205 37 W CA 1.159 58.492 57.345 -0.020 0.000 1.285 37 W CB -0.081 29.355 29.460 -0.040 0.000 1.133 37 W HN 0.128 nan 8.180 nan 0.000 0.521 38 A N 1.048 123.833 122.820 -0.058 0.000 1.883 38 A HA -0.282 4.039 4.320 0.001 0.000 0.217 38 A C 2.009 179.626 177.584 0.055 0.000 1.186 38 A CA 2.141 54.133 52.037 -0.076 0.000 0.624 38 A CB -1.109 17.801 19.000 -0.150 0.000 0.822 38 A HN 0.380 nan 8.150 nan 0.000 0.444 39 K N -0.944 119.474 120.400 0.030 0.000 2.103 39 K HA -0.244 4.077 4.320 0.001 0.000 0.207 39 K C 2.176 178.773 176.600 -0.004 0.000 1.048 39 K CA 1.812 58.122 56.287 0.039 0.000 0.930 39 K CB -0.125 32.388 32.500 0.022 0.000 0.716 39 K HN 0.466 nan 8.250 nan 0.000 0.444 40 Q N 0.491 120.264 119.800 -0.045 0.000 2.291 40 Q HA 0.002 4.343 4.340 0.001 0.000 0.205 40 Q C 0.529 176.410 176.000 -0.198 0.000 0.970 40 Q CA 1.054 56.808 55.803 -0.080 0.000 0.876 40 Q CB 0.286 29.014 28.738 -0.016 0.000 0.935 40 Q HN 0.286 nan 8.270 nan 0.000 0.455 41 N N -1.280 117.260 118.700 -0.266 0.000 2.273 41 N HA 0.158 4.899 4.740 0.001 0.000 0.231 41 N C 0.066 175.442 175.510 -0.223 0.000 1.134 41 N CA 0.692 53.572 53.050 -0.283 0.000 0.856 41 N CB 1.322 39.561 38.487 -0.413 0.000 1.068 41 N HN 0.350 nan 8.380 nan 0.000 0.510 42 G N 0.651 109.360 108.800 -0.152 0.000 2.195 42 G HA2 -0.257 3.703 3.960 0.001 0.000 0.246 42 G HA3 -0.257 3.703 3.960 0.001 0.000 0.246 42 G C -0.116 174.700 174.900 -0.140 0.000 0.984 42 G CA -0.437 44.570 45.100 -0.155 0.000 0.633 42 G HN 0.243 nan 8.290 nan 0.000 0.525 43 F N 0.327 120.297 119.950 0.033 0.000 2.438 43 F HA 0.551 5.079 4.527 0.001 0.000 0.356 43 F C 1.299 177.146 175.800 0.078 0.000 1.099 43 F CA -0.350 57.672 58.000 0.037 0.000 1.185 43 F CB 0.770 39.745 39.000 -0.041 0.000 1.115 43 F HN 0.106 nan 8.300 nan 0.000 0.526 44 Y N 2.696 123.091 120.300 0.158 0.000 2.397 44 Y HA 0.522 5.073 4.550 0.001 0.000 0.292 44 Y C 0.571 176.605 175.900 0.224 0.000 1.115 44 Y CA 0.636 58.816 58.100 0.132 0.000 1.208 44 Y CB 0.211 38.702 38.460 0.051 0.000 1.046 44 Y HN 0.503 nan 8.280 nan 0.000 0.552 45 A N 0.056 123.085 122.820 0.349 0.000 2.609 45 A HA 0.543 4.864 4.320 0.001 0.000 0.291 45 A C -1.981 175.739 177.584 0.227 0.000 1.096 45 A CA -0.670 51.480 52.037 0.187 0.000 0.684 45 A CB 0.660 19.778 19.000 0.197 0.000 1.282 45 A HN 0.206 nan 8.150 nan 0.000 0.412 46 I N 1.570 122.211 120.570 0.119 0.000 2.378 46 I HA 0.566 4.736 4.170 0.001 0.000 0.291 46 I C 0.322 176.483 176.117 0.072 0.000 0.992 46 I CA -0.196 61.172 61.300 0.113 0.000 1.154 46 I CB 1.847 39.954 38.000 0.179 0.000 1.315 46 I HN 0.849 nan 8.210 nan 0.000 0.448 47 T N 4.647 119.199 114.554 -0.003 0.000 2.882 47 T HA 0.593 4.944 4.350 0.001 0.000 0.287 47 T C -0.652 173.934 174.700 -0.191 0.000 0.992 47 T CA -0.595 61.437 62.100 -0.114 0.000 1.076 47 T CB 1.644 70.418 68.868 -0.156 0.000 0.961 47 T HN 0.430 nan 8.240 nan 0.000 0.490 48 V N 2.197 121.878 119.914 -0.388 0.000 2.808 48 V HA 0.364 4.485 4.120 0.001 0.000 0.308 48 V C -1.376 174.169 176.094 -0.914 0.000 1.099 48 V CA -0.940 60.972 62.300 -0.648 0.000 0.920 48 V CB 2.160 33.383 31.823 -1.001 0.000 1.014 48 V HN 1.077 nan 8.190 nan 0.000 0.425 49 D N 5.452 125.349 120.400 -0.838 0.000 2.312 49 D HA 0.299 4.939 4.640 0.001 0.000 0.252 49 D C -0.910 174.711 176.300 -1.132 0.000 1.150 49 D CA 0.612 53.988 54.000 -1.040 0.000 0.870 49 D CB 1.046 41.074 40.800 -1.288 0.000 1.153 49 D HN 0.447 nan 8.370 nan 0.000 0.457 50 F N 2.009 121.548 119.950 -0.685 0.000 2.366 50 F HA 0.239 4.767 4.527 0.001 0.000 0.366 50 F C -0.088 175.483 175.800 -0.380 0.000 1.096 50 F CA -1.268 56.509 58.000 -0.372 0.000 1.060 50 F CB 0.781 39.696 39.000 -0.143 0.000 1.282 50 F HN 0.221 nan 8.300 nan 0.000 0.450 51 W N 3.828 125.227 121.300 0.164 0.000 2.303 51 W HA 0.008 4.668 4.660 0.001 0.000 0.318 51 W C 0.900 177.536 176.519 0.195 0.000 1.362 51 W CA -0.590 56.804 57.345 0.082 0.000 1.234 51 W CB 0.371 29.834 29.460 0.006 0.000 1.248 51 W HN 0.649 nan 8.180 nan 0.000 0.546 52 W N 3.031 124.439 121.300 0.181 0.000 2.342 52 W HA -0.129 4.532 4.660 0.001 0.000 0.297 52 W C 1.911 178.503 176.519 0.121 0.000 1.213 52 W CA 1.975 59.390 57.345 0.117 0.000 1.251 52 W CB -0.937 28.538 29.460 0.026 0.000 1.136 52 W HN 0.475 nan 8.180 nan 0.000 0.526 53 G N -0.190 108.725 108.800 0.192 0.000 2.479 53 G HA2 -0.273 3.688 3.960 0.001 0.000 0.220 53 G HA3 -0.273 3.688 3.960 0.001 0.000 0.220 53 G C 1.194 176.126 174.900 0.054 0.000 1.115 53 G CA 1.371 46.464 45.100 -0.012 0.000 0.757 53 G HN 0.237 nan 8.290 nan 0.000 0.560 54 D N -0.115 120.391 120.400 0.177 0.000 2.262 54 D HA 0.086 4.726 4.640 0.001 0.000 0.212 54 D C 2.660 179.045 176.300 0.142 0.000 0.964 54 D CA 0.355 54.445 54.000 0.151 0.000 0.875 54 D CB -0.104 40.822 40.800 0.211 0.000 0.996 54 D HN 0.291 nan 8.370 nan 0.000 0.497 55 M N -0.158 119.570 119.600 0.215 0.000 2.419 55 M HA 0.005 4.486 4.480 0.001 0.000 0.264 55 M C 0.847 177.254 176.300 0.179 0.000 1.082 55 M CA 0.982 56.366 55.300 0.139 0.000 1.119 55 M CB 0.330 33.073 32.600 0.239 0.000 1.398 55 M HN -0.158 nan 8.290 nan 0.000 0.453 56 E N 0.514 120.877 120.200 0.272 0.000 4.120 56 E HA 0.060 4.411 4.350 0.001 0.000 0.202 56 E C 0.826 177.548 176.600 0.203 0.000 1.067 56 E CA -0.093 56.449 56.400 0.236 0.000 1.424 56 E CB 0.550 30.572 29.700 0.537 0.000 1.164 56 E HN 0.172 nan 8.360 nan 0.000 0.439 57 K N 0.501 120.962 120.400 0.102 0.000 2.002 57 K HA -0.132 4.189 4.320 0.001 0.000 0.209 57 K C 0.975 177.663 176.600 0.146 0.000 1.048 57 K CA 1.977 58.315 56.287 0.085 0.000 0.930 57 K CB 0.081 32.600 32.500 0.031 0.000 0.714 57 K HN 0.216 nan 8.250 nan 0.000 0.438 58 N N -0.731 117.989 118.700 0.033 0.000 2.409 58 N HA 0.046 4.787 4.740 0.001 0.000 0.179 58 N C 0.356 175.740 175.510 -0.210 0.000 1.032 58 N CA 0.534 53.562 53.050 -0.036 0.000 0.898 58 N CB 0.647 39.091 38.487 -0.072 0.000 0.971 58 N HN 0.309 nan 8.380 nan 0.000 0.441 59 G N -0.311 108.191 108.800 -0.496 0.000 2.328 59 G HA2 0.040 4.001 3.960 0.001 0.000 0.295 59 G HA3 0.040 4.001 3.960 0.001 0.000 0.295 59 G C -2.063 172.042 174.900 -1.325 0.000 1.413 59 G CA -0.916 43.482 45.100 -1.170 0.000 0.817 59 G HN -0.052 nan 8.290 nan 0.000 0.546 60 D N 0.704 120.108 120.400 -1.660 0.000 2.472 60 D HA 0.303 4.944 4.640 0.001 0.000 0.248 60 D C 1.015 176.941 176.300 -0.624 0.000 1.174 60 D CA 1.097 54.430 54.000 -1.112 0.000 0.883 60 D CB 0.478 40.815 40.800 -0.771 0.000 1.149 60 D HN 0.463 nan 8.370 nan 0.000 0.488 61 Q N 1.438 120.870 119.800 -0.613 0.000 2.416 61 Q HA -0.260 4.081 4.340 0.001 0.000 0.235 61 Q C -0.534 175.010 176.000 -0.760 0.000 0.773 61 Q CA 0.876 56.226 55.803 -0.755 0.000 1.286 61 Q CB -1.934 26.641 28.738 -0.271 0.000 1.556 61 Q HN 0.764 nan 8.270 nan 0.000 0.650 62 Q N 0.193 119.591 119.800 -0.671 0.000 2.810 62 Q HA 0.412 4.753 4.340 0.001 0.000 0.236 62 Q C -0.343 175.443 176.000 -0.357 0.000 1.278 62 Q CA -0.171 55.397 55.803 -0.392 0.000 1.065 62 Q CB 0.063 28.627 28.738 -0.290 0.000 1.364 62 Q HN 0.146 nan 8.270 nan 0.000 0.570 63 F N 0.703 120.613 119.950 -0.067 0.000 2.382 63 F HA 0.196 4.723 4.527 0.001 0.000 0.331 63 F C 0.758 176.389 175.800 -0.281 0.000 1.121 63 F CA -0.466 57.390 58.000 -0.240 0.000 1.183 63 F CB 0.865 39.708 39.000 -0.263 0.000 1.207 63 F HN 0.241 nan 8.300 nan 0.000 0.555 64 D N 1.977 122.228 120.400 -0.248 0.000 2.330 64 D HA 0.219 4.860 4.640 0.001 0.000 0.249 64 D C -0.759 175.405 176.300 -0.227 0.000 1.306 64 D CA -0.335 53.581 54.000 -0.140 0.000 0.956 64 D CB 0.019 40.803 40.800 -0.027 0.000 1.261 64 D HN 0.320 nan 8.370 nan 0.000 0.544 65 F N 1.256 121.281 119.950 0.125 0.000 2.668 65 F HA 0.098 4.626 4.527 0.001 0.000 0.297 65 F C 2.337 178.126 175.800 -0.018 0.000 1.124 65 F CA -0.214 57.804 58.000 0.029 0.000 1.353 65 F CB 0.393 39.363 39.000 -0.050 0.000 0.992 65 F HN 0.261 nan 8.300 nan 0.000 0.524 66 S N -0.337 115.457 115.700 0.158 0.000 2.382 66 S HA -0.307 4.164 4.470 0.001 0.000 0.228 66 S C 1.987 176.653 174.600 0.109 0.000 1.027 66 S CA 1.134 59.404 58.200 0.116 0.000 0.991 66 S CB -0.917 62.353 63.200 0.117 0.000 0.823 66 S HN 0.533 nan 8.310 nan 0.000 0.469 67 Y N 2.668 123.009 120.300 0.069 0.000 2.242 67 Y HA 0.162 4.713 4.550 0.001 0.000 0.291 67 Y C 2.587 178.522 175.900 0.059 0.000 1.137 67 Y CA 0.658 58.842 58.100 0.140 0.000 1.181 67 Y CB -0.929 37.653 38.460 0.204 0.000 0.989 67 Y HN 0.338 nan 8.280 nan 0.000 0.527 68 A N 0.085 122.755 122.820 -0.250 0.000 1.933 68 A HA -0.216 4.105 4.320 0.001 0.000 0.218 68 A C 2.095 179.387 177.584 -0.487 0.000 1.175 68 A CA 1.886 53.474 52.037 -0.748 0.000 0.628 68 A CB -0.615 17.847 19.000 -0.897 0.000 0.814 68 A HN 0.655 nan 8.150 nan 0.000 0.444 69 Q N -1.424 118.161 119.800 -0.358 0.000 2.123 69 Q HA -0.115 4.226 4.340 0.001 0.000 0.199 69 Q C 2.314 178.010 176.000 -0.507 0.000 0.966 69 Q CA 1.304 56.819 55.803 -0.480 0.000 0.845 69 Q CB -0.095 28.547 28.738 -0.160 0.000 0.907 69 Q HN 0.534 nan 8.270 nan 0.000 0.439 70 R N 0.583 120.866 120.500 -0.362 0.000 2.075 70 R HA -0.120 4.220 4.340 0.001 0.000 0.232 70 R C 1.705 177.586 176.300 -0.697 0.000 1.126 70 R CA 1.268 57.068 56.100 -0.500 0.000 0.963 70 R CB -0.677 29.363 30.300 -0.434 0.000 0.858 70 R HN 0.253 nan 8.270 nan 0.000 0.435 71 F N 0.491 120.051 119.950 -0.649 0.000 2.102 71 F HA -0.091 4.436 4.527 0.001 0.000 0.298 71 F C 2.021 177.702 175.800 -0.199 0.000 1.105 71 F CA 1.807 59.600 58.000 -0.346 0.000 1.239 71 F CB -0.507 38.376 39.000 -0.195 0.000 0.991 71 F HN 0.147 nan 8.300 nan 0.000 0.474 72 A N -0.368 122.415 122.820 -0.061 0.000 1.940 72 A HA -0.271 4.050 4.320 0.001 0.000 0.219 72 A C 2.030 179.475 177.584 -0.232 0.000 1.176 72 A CA 1.814 53.741 52.037 -0.183 0.000 0.631 72 A CB -0.921 17.729 19.000 -0.583 0.000 0.814 72 A HN 0.539 nan 8.150 nan 0.000 0.446 73 Q N 0.120 119.719 119.800 -0.335 0.000 2.079 73 Q HA -0.085 4.256 4.340 0.001 0.000 0.200 73 Q C 2.201 178.130 176.000 -0.118 0.000 0.974 73 Q CA 2.203 57.927 55.803 -0.131 0.000 0.840 73 Q CB -0.556 28.095 28.738 -0.145 0.000 0.898 73 Q HN 0.513 nan 8.270 nan 0.000 0.430 74 S N -1.015 114.566 115.700 -0.199 0.000 2.402 74 S HA -0.078 4.393 4.470 0.001 0.000 0.229 74 S C 1.800 176.380 174.600 -0.033 0.000 1.021 74 S CA 1.013 59.174 58.200 -0.064 0.000 0.974 74 S CB -0.186 63.075 63.200 0.100 0.000 0.800 74 S HN 0.265 nan 8.310 nan 0.000 0.484 75 V N 1.735 121.618 119.914 -0.053 0.000 2.358 75 V HA -0.153 3.967 4.120 0.001 0.000 0.246 75 V C 2.355 178.432 176.094 -0.029 0.000 1.047 75 V CA 1.703 63.972 62.300 -0.051 0.000 1.035 75 V CB -0.465 31.372 31.823 0.024 0.000 0.658 75 V HN 0.432 nan 8.190 nan 0.000 0.452 76 K N 0.250 120.652 120.400 0.004 0.000 2.057 76 K HA -0.219 4.102 4.320 0.001 0.000 0.207 76 K C 2.030 178.632 176.600 0.003 0.000 1.049 76 K CA 1.804 58.107 56.287 0.026 0.000 0.931 76 K CB -0.169 32.377 32.500 0.077 0.000 0.714 76 K HN 0.412 nan 8.250 nan 0.000 0.440 77 N N 0.683 119.379 118.700 -0.007 0.000 2.149 77 N HA -0.149 4.592 4.740 0.001 0.000 0.188 77 N C 1.436 176.937 175.510 -0.015 0.000 1.019 77 N CA 1.480 54.525 53.050 -0.007 0.000 0.857 77 N CB -0.333 38.150 38.487 -0.005 0.000 0.997 77 N HN 0.310 nan 8.380 nan 0.000 0.426 78 A N -0.177 122.619 122.820 -0.039 0.000 2.235 78 A HA 0.352 4.673 4.320 0.001 0.000 0.208 78 A C 1.377 178.936 177.584 -0.041 0.000 1.172 78 A CA 0.801 52.805 52.037 -0.055 0.000 0.786 78 A CB -0.522 18.404 19.000 -0.124 0.000 0.804 78 A HN 0.329 nan 8.150 nan 0.000 0.479 79 G N -1.400 107.381 108.800 -0.030 0.000 2.221 79 G HA2 -0.228 3.733 3.960 0.001 0.000 0.265 79 G HA3 -0.228 3.733 3.960 0.001 0.000 0.265 79 G C 0.093 174.966 174.900 -0.045 0.000 1.041 79 G CA 0.757 45.842 45.100 -0.024 0.000 0.807 79 G HN 0.297 nan 8.290 nan 0.000 0.502 80 M N -1.254 118.308 119.600 -0.063 0.000 2.849 80 M HA 0.597 5.077 4.480 0.001 0.000 0.299 80 M C 0.388 176.625 176.300 -0.105 0.000 1.223 80 M CA -0.476 54.766 55.300 -0.096 0.000 0.856 80 M CB 1.538 34.081 32.600 -0.095 0.000 1.680 80 M HN 0.001 nan 8.290 nan 0.000 0.506 81 K N 1.473 121.773 120.400 -0.166 0.000 2.340 81 K HA 0.738 5.059 4.320 0.001 0.000 0.244 81 K C -0.851 175.724 176.600 -0.041 0.000 0.973 81 K CA -0.555 55.642 56.287 -0.151 0.000 0.828 81 K CB 2.603 34.872 32.500 -0.386 0.000 1.226 81 K HN 0.796 nan 8.250 nan 0.000 0.437 82 M N -0.219 119.393 119.600 0.020 0.000 2.550 82 M HA 0.585 5.066 4.480 0.001 0.000 0.292 82 M C -1.245 175.060 176.300 0.008 0.000 1.221 82 M CA -0.802 54.542 55.300 0.074 0.000 0.873 82 M CB 1.851 34.575 32.600 0.207 0.000 1.727 82 M HN 0.413 nan 8.290 nan 0.000 0.459 83 I N 3.577 124.126 120.570 -0.035 0.000 2.495 83 I HA 0.407 4.577 4.170 0.001 0.000 0.277 83 I C -2.369 173.676 176.117 -0.120 0.000 1.045 83 I CA -1.786 59.457 61.300 -0.095 0.000 1.135 83 I CB 1.774 39.693 38.000 -0.135 0.000 1.241 83 I HN 0.479 nan 8.210 nan 0.000 0.469 84 P HA 0.289 nan 4.420 nan 0.000 0.275 84 P C -0.616 176.533 177.300 -0.251 0.000 1.227 84 P CA -0.047 62.939 63.100 -0.189 0.000 0.781 84 P CB 1.530 33.319 31.700 0.148 0.000 0.906 85 I N 3.813 124.158 120.570 -0.376 0.000 2.362 85 I HA 0.312 4.482 4.170 0.001 0.000 0.289 85 I C 0.741 176.631 176.117 -0.378 0.000 0.994 85 I CA -0.883 60.224 61.300 -0.322 0.000 1.158 85 I CB 1.261 39.031 38.000 -0.384 0.000 1.315 85 I HN 0.138 nan 8.210 nan 0.000 0.451 86 I N 5.695 126.058 120.570 -0.345 0.000 2.278 86 I HA 0.054 4.224 4.170 0.001 0.000 0.300 86 I C 0.335 176.320 176.117 -0.220 0.000 1.174 86 I CA 0.207 61.303 61.300 -0.340 0.000 1.347 86 I CB -0.063 37.722 38.000 -0.359 0.000 1.473 86 I HN 0.533 nan 8.210 nan 0.000 0.595 87 S N 3.357 118.892 115.700 -0.276 0.000 3.065 87 S HA 0.035 4.506 4.470 0.001 0.000 0.311 87 S C 1.343 175.917 174.600 -0.044 0.000 1.204 87 S CA -0.440 57.606 58.200 -0.257 0.000 1.040 87 S CB -0.250 62.443 63.200 -0.844 0.000 1.436 87 S HN 0.715 nan 8.310 nan 0.000 0.532 88 T N -0.219 114.352 114.554 0.030 0.000 3.324 88 T HA 0.060 4.410 4.350 0.001 0.000 0.250 88 T C 0.506 175.440 174.700 0.391 0.000 1.059 88 T CA -0.338 61.824 62.100 0.104 0.000 0.951 88 T CB -0.525 68.005 68.868 -0.563 0.000 1.030 88 T HN 0.756 nan 8.240 nan 0.000 0.576 89 H N -0.949 118.321 119.070 0.333 0.000 2.797 89 H HA 0.532 5.089 4.556 0.001 0.000 0.362 89 H C -0.768 174.781 175.328 0.368 0.000 1.183 89 H CA -1.117 55.131 56.048 0.333 0.000 1.197 89 H CB 1.274 31.196 29.762 0.267 0.000 1.835 89 H HN 0.204 nan 8.280 nan 0.000 0.567 90 Q N 0.589 120.572 119.800 0.305 0.000 2.293 90 Q HA 0.310 4.650 4.340 0.001 0.000 0.251 90 Q C -1.026 174.960 176.000 -0.022 0.000 0.930 90 Q CA -0.603 55.252 55.803 0.086 0.000 0.893 90 Q CB 1.023 29.816 28.738 0.092 0.000 1.215 90 Q HN 0.586 nan 8.270 nan 0.000 0.425 91 c N 3.529 121.853 118.600 -0.461 0.000 2.295 91 c HA 0.892 5.462 4.570 0.001 0.000 0.331 91 c C 0.020 173.908 174.090 -0.337 0.000 1.280 91 c CA 1.015 56.956 56.329 -0.648 0.000 1.746 91 c CB -0.624 40.908 42.510 -1.630 0.000 2.328 91 c HN 0.982 nan 8.230 nan 0.000 0.521 92 G N 3.721 112.425 108.800 -0.160 0.000 2.697 92 G HA2 0.473 4.434 3.960 0.001 0.000 0.684 92 G HA3 0.473 4.434 3.960 0.001 0.000 0.684 92 G C 0.417 175.289 174.900 -0.046 0.000 1.274 92 G CA 0.299 45.335 45.100 -0.108 0.000 0.806 92 G HN 2.339 nan 8.290 nan 0.000 0.644 93 G N 0.935 109.717 108.800 -0.030 0.000 2.308 93 G HA2 -0.247 3.714 3.960 0.001 0.000 0.221 93 G HA3 -0.247 3.714 3.960 0.001 0.000 0.221 93 G C 0.433 175.335 174.900 0.005 0.000 1.032 93 G CA 0.730 45.822 45.100 -0.013 0.000 0.623 93 G HN 1.316 nan 8.290 nan 0.000 0.506 94 N N 0.540 119.251 118.700 0.018 0.000 2.445 94 N HA 0.429 5.169 4.740 0.001 0.000 0.264 94 N C 0.620 176.151 175.510 0.035 0.000 1.227 94 N CA -0.036 53.035 53.050 0.035 0.000 0.963 94 N CB 1.460 39.979 38.487 0.053 0.000 1.188 94 N HN 0.166 nan 8.380 nan 0.000 0.491 95 V N 1.005 120.946 119.914 0.046 0.000 2.509 95 V HA 0.116 4.237 4.120 0.001 0.000 0.297 95 V C 1.448 177.558 176.094 0.025 0.000 1.014 95 V CA 1.043 63.360 62.300 0.028 0.000 1.127 95 V CB -0.171 31.664 31.823 0.020 0.000 0.925 95 V HN 1.029 nan 8.190 nan 0.000 0.480 96 G N 4.044 112.853 108.800 0.014 0.000 2.143 96 G HA2 -0.193 3.768 3.960 0.001 0.000 0.249 96 G HA3 -0.193 3.768 3.960 0.001 0.000 0.249 96 G C -0.181 174.732 174.900 0.022 0.000 0.981 96 G CA -0.017 45.093 45.100 0.017 0.000 0.665 96 G HN 0.725 nan 8.290 nan 0.000 0.528 97 D N 0.941 121.351 120.400 0.015 0.000 2.393 97 D HA 0.438 5.078 4.640 0.001 0.000 0.232 97 D C -0.169 176.119 176.300 -0.021 0.000 1.192 97 D CA -0.042 53.961 54.000 0.005 0.000 0.882 97 D CB 1.109 41.907 40.800 -0.004 0.000 1.038 97 D HN 0.205 nan 8.370 nan 0.000 0.499 98 D N 2.214 122.603 120.400 -0.017 0.000 2.557 98 D HA 0.277 4.918 4.640 0.001 0.000 0.236 98 D C -0.864 175.399 176.300 -0.061 0.000 1.154 98 D CA -0.378 53.604 54.000 -0.030 0.000 0.985 98 D CB -0.353 40.442 40.800 -0.009 0.000 1.010 98 D HN 0.421 nan 8.370 nan 0.000 0.516 99 c N 0.999 119.536 118.600 -0.104 0.000 3.165 99 c HA 0.674 5.245 4.570 0.001 0.000 0.345 99 c C -1.300 172.666 174.090 -0.206 0.000 1.367 99 c CA -1.252 54.972 56.329 -0.175 0.000 1.205 99 c CB 0.976 43.332 42.510 -0.257 0.000 1.447 99 c HN 0.414 nan 8.230 nan 0.000 0.451 100 N N -0.100 118.447 118.700 -0.255 0.000 2.732 100 N HA 0.561 5.301 4.740 0.001 0.000 0.247 100 N C -1.617 173.725 175.510 -0.281 0.000 1.305 100 N CA -0.229 52.685 53.050 -0.227 0.000 0.762 100 N CB 1.282 39.681 38.487 -0.148 0.000 1.361 100 N HN 0.924 nan 8.380 nan 0.000 0.545 101 V N 3.771 123.450 119.914 -0.392 0.000 2.454 101 V HA 0.463 4.584 4.120 0.001 0.000 0.267 101 V C -2.215 173.712 176.094 -0.277 0.000 0.993 101 V CA -1.233 60.833 62.300 -0.391 0.000 0.836 101 V CB 1.128 32.541 31.823 -0.683 0.000 1.055 101 V HN 0.433 nan 8.190 nan 0.000 0.452 102 P HA 0.327 nan 4.420 nan 0.000 0.273 102 P C 0.246 177.505 177.300 -0.070 0.000 1.250 102 P CA -0.312 62.750 63.100 -0.062 0.000 0.793 102 P CB 0.724 32.411 31.700 -0.022 0.000 1.011 103 I N -2.298 118.246 120.570 -0.042 0.000 2.823 103 I HA 0.384 4.554 4.170 0.001 0.000 0.290 103 I C -2.304 173.531 176.117 -0.469 0.000 1.091 103 I CA -2.617 58.534 61.300 -0.247 0.000 1.365 103 I CB -0.254 37.605 38.000 -0.235 0.000 1.427 103 I HN 0.122 nan 8.210 nan 0.000 0.583 104 P HA -0.063 nan 4.420 nan 0.000 0.257 104 P C 0.632 177.424 177.300 -0.846 0.000 1.162 104 P CA 0.431 63.017 63.100 -0.856 0.000 0.762 104 P CB 0.587 31.476 31.700 -1.350 0.000 0.753 105 S N 4.136 119.622 115.700 -0.355 0.000 2.419 105 S HA -0.155 4.315 4.470 0.001 0.000 0.233 105 S C 1.652 176.177 174.600 -0.125 0.000 1.016 105 S CA 0.476 58.622 58.200 -0.089 0.000 0.974 105 S CB -1.056 62.181 63.200 0.062 0.000 0.786 105 S HN 0.681 nan 8.310 nan 0.000 0.492 106 W N 1.784 122.998 121.300 -0.144 0.000 2.421 106 W HA 0.045 4.706 4.660 0.001 0.000 0.270 106 W C 1.236 177.651 176.519 -0.173 0.000 1.233 106 W CA 0.562 57.834 57.345 -0.121 0.000 1.226 106 W CB -1.016 28.368 29.460 -0.126 0.000 1.121 106 W HN 0.166 nan 8.180 nan 0.000 0.579 107 V N 0.802 120.101 119.914 -1.026 0.000 2.490 107 V HA -0.294 3.827 4.120 0.001 0.000 0.250 107 V C 2.052 177.822 176.094 -0.540 0.000 1.061 107 V CA 2.219 63.913 62.300 -1.010 0.000 1.064 107 V CB -1.141 29.798 31.823 -1.474 0.000 0.670 107 V HN 0.209 nan 8.190 nan 0.000 0.461 108 W N 0.094 121.293 121.300 -0.168 0.000 2.465 108 W HA -0.030 4.630 4.660 0.001 0.000 0.268 108 W C 1.894 178.414 176.519 0.001 0.000 1.242 108 W CA 0.261 57.573 57.345 -0.056 0.000 1.248 108 W CB -0.423 29.006 29.460 -0.052 0.000 1.118 108 W HN 0.241 nan 8.180 nan 0.000 0.587 109 N N 0.319 119.131 118.700 0.186 0.000 2.370 109 N HA -0.058 4.683 4.740 0.001 0.000 0.198 109 N C 1.484 177.068 175.510 0.123 0.000 1.156 109 N CA 0.511 53.654 53.050 0.155 0.000 0.839 109 N CB -0.153 38.423 38.487 0.149 0.000 0.989 109 N HN 0.283 nan 8.380 nan 0.000 0.468 110 Q N 0.286 120.147 119.800 0.102 0.000 2.137 110 Q HA 0.082 4.422 4.340 0.001 0.000 0.198 110 Q C 0.128 176.159 176.000 0.051 0.000 0.960 110 Q CA 1.142 56.993 55.803 0.080 0.000 0.847 110 Q CB 0.412 29.182 28.738 0.053 0.000 0.915 110 Q HN 0.170 nan 8.270 nan 0.000 0.448 111 K N -1.006 119.424 120.400 0.049 0.000 2.385 111 K HA 0.316 4.636 4.320 0.001 0.000 0.248 111 K C 0.459 177.088 176.600 0.047 0.000 0.955 111 K CA -0.414 55.884 56.287 0.018 0.000 0.816 111 K CB 1.800 34.267 32.500 -0.054 0.000 1.250 111 K HN -0.261 nan 8.250 nan 0.000 0.434 112 S N 0.279 115.998 115.700 0.030 0.000 2.483 112 S HA -0.034 4.437 4.470 0.001 0.000 0.221 112 S C 0.294 174.921 174.600 0.044 0.000 1.030 112 S CA 0.514 58.743 58.200 0.048 0.000 0.925 112 S CB 0.082 63.307 63.200 0.042 0.000 0.795 112 S HN 0.705 nan 8.310 nan 0.000 0.511 113 D N 1.436 121.838 120.400 0.003 0.000 2.376 113 D HA 0.079 4.719 4.640 0.001 0.000 0.268 113 D C 0.035 176.298 176.300 -0.063 0.000 1.252 113 D CA -0.064 53.929 54.000 -0.011 0.000 1.041 113 D CB -0.016 40.767 40.800 -0.029 0.000 1.109 113 D HN 0.232 nan 8.370 nan 0.000 0.552 114 D N -2.407 117.910 120.400 -0.138 0.000 2.643 114 D HA 0.045 4.686 4.640 0.001 0.000 0.244 114 D C 0.833 176.793 176.300 -0.567 0.000 1.257 114 D CA -0.251 53.484 54.000 -0.442 0.000 0.831 114 D CB -0.425 40.192 40.800 -0.305 0.000 1.043 114 D HN 0.241 nan 8.370 nan 0.000 0.488 115 S N -0.288 115.099 115.700 -0.522 0.000 2.481 115 S HA -0.046 4.424 4.470 0.001 0.000 0.231 115 S C 1.724 176.041 174.600 -0.472 0.000 0.996 115 S CA 0.164 57.905 58.200 -0.765 0.000 0.942 115 S CB -0.517 61.715 63.200 -1.615 0.000 0.768 115 S HN 0.346 nan 8.310 nan 0.000 0.520 116 L N -0.173 120.845 121.223 -0.343 0.000 2.375 116 L HA 0.236 4.577 4.340 0.001 0.000 0.215 116 L C 1.133 178.034 176.870 0.053 0.000 1.108 116 L CA 0.139 54.942 54.840 -0.061 0.000 0.830 116 L CB -0.413 41.782 42.059 0.226 0.000 0.959 116 L HN 0.509 nan 8.230 nan 0.000 0.457 117 Y N -2.606 117.667 120.300 -0.044 0.000 2.772 117 Y HA 0.685 5.235 4.550 0.001 0.000 0.324 117 Y C -0.468 175.227 175.900 -0.342 0.000 1.169 117 Y CA -2.201 55.794 58.100 -0.175 0.000 1.198 117 Y CB 0.136 38.516 38.460 -0.133 0.000 1.402 117 Y HN -0.307 nan 8.280 nan 0.000 0.577 118 F N 0.157 120.356 119.950 0.415 0.000 2.523 118 F HA 0.672 5.200 4.527 0.001 0.000 0.329 118 F C -0.256 175.761 175.800 0.362 0.000 1.061 118 F CA -0.893 57.300 58.000 0.322 0.000 0.967 118 F CB 2.015 41.172 39.000 0.261 0.000 1.218 118 F HN 0.312 nan 8.300 nan 0.000 0.480 119 K N 0.911 121.617 120.400 0.510 0.000 2.535 119 K HA 0.443 4.764 4.320 0.001 0.000 0.250 119 K C -0.608 176.249 176.600 0.429 0.000 0.948 119 K CA -0.477 56.053 56.287 0.406 0.000 0.796 119 K CB 1.579 34.306 32.500 0.378 0.000 1.216 119 K HN 0.689 nan 8.250 nan 0.000 0.432 120 S N 1.968 117.846 115.700 0.296 0.000 2.661 120 S HA 0.206 4.677 4.470 0.001 0.000 0.265 120 S C 0.808 175.403 174.600 -0.009 0.000 1.225 120 S CA -0.270 58.075 58.200 0.241 0.000 0.986 120 S CB 0.899 64.171 63.200 0.121 0.000 1.008 120 S HN 0.688 nan 8.310 nan 0.000 0.565 121 E N 0.346 120.382 120.200 -0.273 0.000 2.160 121 E HA -0.119 4.232 4.350 0.001 0.000 0.195 121 E C 1.371 177.704 176.600 -0.445 0.000 0.991 121 E CA 1.653 57.547 56.400 -0.843 0.000 0.810 121 E CB -0.396 29.070 29.700 -0.390 0.000 0.742 121 E HN 0.893 nan 8.360 nan 0.000 0.466 122 T N -3.399 111.042 114.554 -0.188 0.000 3.186 122 T HA 0.386 4.737 4.350 0.001 0.000 0.257 122 T C 1.220 175.893 174.700 -0.045 0.000 1.029 122 T CA 0.134 62.175 62.100 -0.100 0.000 0.916 122 T CB 0.817 69.653 68.868 -0.053 0.000 1.041 122 T HN 0.241 nan 8.240 nan 0.000 0.562 123 G N 1.249 110.036 108.800 -0.022 0.000 2.157 123 G HA2 -0.248 3.713 3.960 0.001 0.000 0.248 123 G HA3 -0.248 3.713 3.960 0.001 0.000 0.248 123 G C 0.104 175.037 174.900 0.055 0.000 0.979 123 G CA -0.004 45.119 45.100 0.038 0.000 0.650 123 G HN 0.681 nan 8.290 nan 0.000 0.529 124 T N 1.259 115.847 114.554 0.056 0.000 2.779 124 T HA 0.465 4.815 4.350 0.001 0.000 0.296 124 T C 0.697 175.453 174.700 0.093 0.000 0.938 124 T CA -0.140 61.991 62.100 0.052 0.000 1.119 124 T CB 2.168 71.062 68.868 0.044 0.000 0.891 124 T HN 0.397 nan 8.240 nan 0.000 0.526 125 V N 5.003 124.941 119.914 0.040 0.000 2.546 125 V HA 0.327 4.448 4.120 0.001 0.000 0.284 125 V C 0.536 176.646 176.094 0.027 0.000 1.050 125 V CA -0.758 61.557 62.300 0.026 0.000 0.981 125 V CB 1.188 32.890 31.823 -0.200 0.000 0.990 125 V HN 0.838 nan 8.190 nan 0.000 0.474 126 N N 3.656 122.449 118.700 0.155 0.000 2.346 126 N HA 0.415 5.156 4.740 0.001 0.000 0.289 126 N C -0.715 174.932 175.510 0.229 0.000 1.027 126 N CA -0.620 52.538 53.050 0.181 0.000 0.864 126 N CB 1.947 40.584 38.487 0.250 0.000 1.370 126 N HN 0.667 nan 8.380 nan 0.000 0.481 127 K N 2.460 122.900 120.400 0.067 0.000 3.123 127 K HA 0.120 4.440 4.320 0.001 0.000 0.209 127 K C 0.384 177.148 176.600 0.273 0.000 1.132 127 K CA -0.135 56.163 56.287 0.018 0.000 0.992 127 K CB 0.667 32.788 32.500 -0.631 0.000 0.773 127 K HN 0.617 nan 8.250 nan 0.000 0.458 128 E N 0.051 120.435 120.200 0.306 0.000 2.489 128 E HA 0.013 4.364 4.350 0.001 0.000 0.193 128 E C 0.290 177.123 176.600 0.388 0.000 1.057 128 E CA 0.312 56.884 56.400 0.286 0.000 0.866 128 E CB 0.534 30.339 29.700 0.175 0.000 0.916 128 E HN -0.009 nan 8.360 nan 0.000 0.500 129 T N -0.195 114.661 114.554 0.502 0.000 2.827 129 T HA 0.304 4.655 4.350 0.001 0.000 0.328 129 T C -1.490 173.523 174.700 0.522 0.000 1.598 129 T CA -0.782 61.613 62.100 0.491 0.000 1.043 129 T CB 0.938 70.059 68.868 0.422 0.000 1.447 129 T HN 0.136 nan 8.240 nan 0.000 0.491 130 L N 3.377 124.816 121.223 0.360 0.000 2.426 130 L HA 0.371 4.712 4.340 0.001 0.000 0.271 130 L C 1.079 177.959 176.870 0.016 0.000 1.169 130 L CA -0.710 54.236 54.840 0.176 0.000 0.836 130 L CB 0.431 42.539 42.059 0.082 0.000 1.112 130 L HN 0.616 nan 8.230 nan 0.000 0.465 131 N N 5.281 123.820 118.700 -0.269 0.000 2.452 131 N HA 0.026 4.766 4.740 0.001 0.000 0.266 131 N C -1.575 173.793 175.510 -0.238 0.000 1.209 131 N CA -1.259 51.482 53.050 -0.515 0.000 0.929 131 N CB 1.252 39.365 38.487 -0.624 0.000 1.063 131 N HN 0.347 nan 8.380 nan 0.000 0.472 132 P HA -0.124 nan 4.420 nan 0.000 0.229 132 P C 1.491 178.704 177.300 -0.146 0.000 1.150 132 P CA 0.726 63.607 63.100 -0.366 0.000 0.765 132 P CB 0.401 31.733 31.700 -0.612 0.000 0.783 133 L N -0.428 120.767 121.223 -0.047 0.000 2.141 133 L HA -0.036 4.305 4.340 0.001 0.000 0.209 133 L C 1.780 178.769 176.870 0.199 0.000 1.094 133 L CA 0.797 55.713 54.840 0.127 0.000 0.763 133 L CB -0.691 41.546 42.059 0.297 0.000 0.908 133 L HN -0.084 nan 8.230 nan 0.000 0.437 134 A N -0.240 122.606 122.820 0.042 0.000 3.077 134 A HA 0.141 4.461 4.320 0.001 0.000 0.255 134 A C 1.656 179.211 177.584 -0.047 0.000 1.728 134 A CA 0.333 52.346 52.037 -0.040 0.000 1.383 134 A CB -0.462 18.441 19.000 -0.162 0.000 1.097 134 A HN 0.427 nan 8.150 nan 0.000 0.634 135 S N 0.575 116.279 115.700 0.007 0.000 2.442 135 S HA -0.189 4.281 4.470 0.001 0.000 0.236 135 S C 1.402 175.980 174.600 -0.036 0.000 1.007 135 S CA 1.111 59.298 58.200 -0.022 0.000 0.965 135 S CB -0.273 62.938 63.200 0.018 0.000 0.773 135 S HN 0.761 nan 8.310 nan 0.000 0.504 136 D N 2.130 122.524 120.400 -0.011 0.000 2.097 136 D HA -0.083 4.557 4.640 0.001 0.000 0.197 136 D C 1.948 178.231 176.300 -0.029 0.000 0.984 136 D CA 1.018 55.013 54.000 -0.008 0.000 0.826 136 D CB -0.881 39.927 40.800 0.013 0.000 0.973 136 D HN 0.409 nan 8.370 nan 0.000 0.460 137 V N 0.950 120.836 119.914 -0.048 0.000 2.379 137 V HA -0.141 3.979 4.120 0.001 0.000 0.245 137 V C 2.771 178.815 176.094 -0.083 0.000 1.044 137 V CA 0.961 63.238 62.300 -0.037 0.000 1.036 137 V CB -0.407 31.386 31.823 -0.049 0.000 0.664 137 V HN 0.159 nan 8.190 nan 0.000 0.453 138 I N -0.121 120.333 120.570 -0.193 0.000 2.226 138 I HA -0.267 3.904 4.170 0.001 0.000 0.245 138 I C 2.751 178.655 176.117 -0.355 0.000 1.100 138 I CA 1.795 62.819 61.300 -0.459 0.000 1.374 138 I CB -0.406 37.271 38.000 -0.537 0.000 1.057 138 I HN 0.231 nan 8.210 nan 0.000 0.413 139 R N 1.393 121.781 120.500 -0.187 0.000 2.096 139 R HA -0.236 4.104 4.340 0.001 0.000 0.235 139 R C 2.298 178.558 176.300 -0.067 0.000 1.127 139 R CA 1.781 57.813 56.100 -0.114 0.000 0.968 139 R CB -0.110 30.155 30.300 -0.058 0.000 0.861 139 R HN 0.269 nan 8.270 nan 0.000 0.440 140 K N 0.107 120.488 120.400 -0.031 0.000 1.980 140 K HA -0.124 4.196 4.320 0.001 0.000 0.208 140 K C 1.834 178.472 176.600 0.062 0.000 1.043 140 K CA 1.459 57.763 56.287 0.027 0.000 0.938 140 K CB 0.002 32.536 32.500 0.058 0.000 0.724 140 K HN 0.080 nan 8.250 nan 0.000 0.438 141 E N 0.175 120.437 120.200 0.103 0.000 2.051 141 E HA -0.199 4.152 4.350 0.001 0.000 0.192 141 E C 2.178 178.800 176.600 0.037 0.000 0.991 141 E CA 1.350 57.867 56.400 0.195 0.000 0.799 141 E CB -0.485 29.427 29.700 0.353 0.000 0.748 141 E HN 0.422 nan 8.360 nan 0.000 0.449 142 Y N 0.836 120.888 120.300 -0.414 0.000 2.242 142 Y HA -0.016 4.534 4.550 0.001 0.000 0.291 142 Y C 2.601 178.000 175.900 -0.835 0.000 1.137 142 Y CA 0.832 58.442 58.100 -0.817 0.000 1.181 142 Y CB -1.176 36.785 38.460 -0.832 0.000 0.989 142 Y HN 0.095 nan 8.280 nan 0.000 0.527 143 G N -0.284 108.368 108.800 -0.247 0.000 2.418 143 G HA2 -0.233 3.728 3.960 0.001 0.000 0.217 143 G HA3 -0.233 3.728 3.960 0.001 0.000 0.217 143 G C 1.546 176.415 174.900 -0.053 0.000 1.158 143 G CA 0.974 45.992 45.100 -0.136 0.000 0.771 143 G HN 0.415 nan 8.290 nan 0.000 0.545 144 E N -0.437 119.780 120.200 0.027 0.000 2.106 144 E HA -0.048 4.302 4.350 0.001 0.000 0.192 144 E C 2.367 179.076 176.600 0.181 0.000 0.984 144 E CA 0.535 57.033 56.400 0.162 0.000 0.806 144 E CB -0.130 29.744 29.700 0.290 0.000 0.750 144 E HN 0.330 nan 8.360 nan 0.000 0.458 145 L N 0.271 121.559 121.223 0.109 0.000 2.056 145 L HA -0.159 4.181 4.340 0.001 0.000 0.207 145 L C 1.943 178.892 176.870 0.133 0.000 1.078 145 L CA 1.666 56.571 54.840 0.107 0.000 0.749 145 L CB -0.517 41.476 42.059 -0.110 0.000 0.901 145 L HN 0.210 nan 8.230 nan 0.000 0.433 146 Y N -0.939 119.324 120.300 -0.061 0.000 2.145 146 Y HA -0.264 4.286 4.550 0.001 0.000 0.286 146 Y C 2.448 178.230 175.900 -0.198 0.000 1.145 146 Y CA 1.073 59.099 58.100 -0.123 0.000 1.148 146 Y CB -0.610 37.674 38.460 -0.293 0.000 0.981 146 Y HN 0.206 nan 8.280 nan 0.000 0.507 147 T N 0.059 114.607 114.554 -0.010 0.000 2.746 147 T HA -0.188 4.162 4.350 0.001 0.000 0.267 147 T C 2.105 176.759 174.700 -0.076 0.000 1.039 147 T CA 1.159 63.221 62.100 -0.063 0.000 1.142 147 T CB -0.473 68.380 68.868 -0.025 0.000 0.866 147 T HN 0.449 nan 8.240 nan 0.000 0.444 148 A N 0.835 123.575 122.820 -0.134 0.000 1.930 148 A HA 0.024 4.344 4.320 0.001 0.000 0.217 148 A C 2.009 179.237 177.584 -0.593 0.000 1.175 148 A CA 1.131 52.969 52.037 -0.333 0.000 0.627 148 A CB -0.919 17.613 19.000 -0.780 0.000 0.815 148 A HN 0.477 nan 8.150 nan 0.000 0.443 149 F N 1.013 120.591 119.950 -0.620 0.000 2.134 149 F HA -0.056 4.471 4.527 0.001 0.000 0.299 149 F C 2.514 178.124 175.800 -0.317 0.000 1.097 149 F CA 1.166 58.724 58.000 -0.737 0.000 1.264 149 F CB -0.376 38.504 39.000 -0.200 0.000 1.001 149 F HN 0.249 nan 8.300 nan 0.000 0.479 150 A N 0.443 123.331 122.820 0.114 0.000 1.908 150 A HA -0.126 4.195 4.320 0.001 0.000 0.218 150 A C 2.405 180.048 177.584 0.099 0.000 1.181 150 A CA 1.949 54.183 52.037 0.329 0.000 0.627 150 A CB -1.600 17.631 19.000 0.385 0.000 0.818 150 A HN 0.506 nan 8.150 nan 0.000 0.445 151 A N -0.366 122.406 122.820 -0.080 0.000 1.933 151 A HA 0.193 4.514 4.320 0.001 0.000 0.218 151 A C 2.459 179.946 177.584 -0.162 0.000 1.175 151 A CA 1.986 53.961 52.037 -0.104 0.000 0.628 151 A CB -0.877 18.066 19.000 -0.095 0.000 0.814 151 A HN 1.053 nan 8.150 nan 0.000 0.444 152 A N -1.229 121.383 122.820 -0.348 0.000 1.968 152 A HA 0.019 4.339 4.320 0.001 0.000 0.217 152 A C 1.892 179.339 177.584 -0.227 0.000 1.169 152 A CA 1.632 53.460 52.037 -0.348 0.000 0.638 152 A CB -0.294 18.282 19.000 -0.707 0.000 0.812 152 A HN 0.405 nan 8.150 nan 0.000 0.446 153 M N -0.712 118.715 119.600 -0.289 0.000 2.428 153 M HA 0.145 4.626 4.480 0.001 0.000 0.239 153 M C 1.522 177.966 176.300 0.240 0.000 1.121 153 M CA 0.429 55.703 55.300 -0.043 0.000 1.019 153 M CB -0.723 31.638 32.600 -0.398 0.000 1.485 153 M HN 0.516 nan 8.290 nan 0.000 0.484 154 K N 1.661 122.115 120.400 0.090 0.000 2.074 154 K HA -0.157 4.164 4.320 0.001 0.000 0.209 154 K C -0.980 175.530 176.600 -0.149 0.000 1.048 154 K CA 1.591 57.820 56.287 -0.096 0.000 0.926 154 K CB -0.638 31.771 32.500 -0.152 0.000 0.713 154 K HN 0.143 nan 8.250 nan 0.000 0.444 155 P HA -0.098 nan 4.420 nan 0.000 0.226 155 P C -0.158 176.809 177.300 -0.556 0.000 1.153 155 P CA 1.050 63.886 63.100 -0.440 0.000 0.777 155 P CB 0.099 31.418 31.700 -0.635 0.000 0.794 156 Y N -0.636 119.659 120.300 -0.009 0.000 2.607 156 Y HA 0.168 4.718 4.550 0.001 0.000 0.266 156 Y C 1.924 177.877 175.900 0.088 0.000 1.178 156 Y CA -0.493 57.619 58.100 0.021 0.000 1.226 156 Y CB -0.402 38.062 38.460 0.006 0.000 1.144 156 Y HN -0.029 nan 8.280 nan 0.000 0.528 157 K N 0.379 120.890 120.400 0.185 0.000 2.218 157 K HA -0.233 4.088 4.320 0.001 0.000 0.205 157 K C 1.058 177.762 176.600 0.172 0.000 1.046 157 K CA 2.099 58.535 56.287 0.248 0.000 0.933 157 K CB -0.406 32.066 32.500 -0.047 0.000 0.728 157 K HN 0.385 nan 8.250 nan 0.000 0.454 158 D N 1.689 122.145 120.400 0.093 0.000 2.309 158 D HA -0.127 4.514 4.640 0.001 0.000 0.212 158 D C 1.788 178.138 176.300 0.084 0.000 0.968 158 D CA 1.492 55.535 54.000 0.071 0.000 0.882 158 D CB 0.001 40.820 40.800 0.032 0.000 0.918 158 D HN 0.392 nan 8.370 nan 0.000 0.503 159 V N -2.169 117.813 119.914 0.114 0.000 3.578 159 V HA 0.316 4.436 4.120 0.001 0.000 0.290 159 V C 0.857 176.998 176.094 0.079 0.000 1.376 159 V CA -0.554 61.797 62.300 0.085 0.000 1.083 159 V CB -0.439 31.442 31.823 0.096 0.000 0.911 159 V HN -0.059 nan 8.190 nan 0.000 0.433 160 I N 1.821 122.456 120.570 0.107 0.000 2.301 160 I HA 0.538 4.708 4.170 0.001 0.000 0.292 160 I C 1.388 177.536 176.117 0.052 0.000 1.046 160 I CA 0.181 61.518 61.300 0.061 0.000 1.282 160 I CB 1.592 39.612 38.000 0.034 0.000 1.409 160 I HN 0.206 nan 8.210 nan 0.000 0.484 161 A N 6.409 129.245 122.820 0.028 0.000 2.095 161 A HA 0.153 4.474 4.320 0.001 0.000 0.212 161 A C 0.799 178.384 177.584 0.001 0.000 1.162 161 A CA 0.777 52.861 52.037 0.078 0.000 0.753 161 A CB 0.263 19.378 19.000 0.192 0.000 0.840 161 A HN 0.718 nan 8.150 nan 0.000 0.468 162 K N -1.393 118.944 120.400 -0.105 0.000 2.685 162 K HA 0.573 4.894 4.320 0.001 0.000 0.290 162 K C -2.254 174.168 176.600 -0.297 0.000 1.018 162 K CA -0.673 55.491 56.287 -0.203 0.000 0.860 162 K CB 0.843 33.195 32.500 -0.247 0.000 1.498 162 K HN 0.092 nan 8.250 nan 0.000 0.390 163 I N 2.533 122.865 120.570 -0.396 0.000 2.498 163 I HA 0.347 4.518 4.170 0.001 0.000 0.290 163 I C -1.215 174.651 176.117 -0.418 0.000 1.032 163 I CA -0.839 60.184 61.300 -0.463 0.000 1.073 163 I CB 1.685 39.226 38.000 -0.766 0.000 1.251 163 I HN 0.539 nan 8.210 nan 0.000 0.426 164 Y N 5.639 125.738 120.300 -0.335 0.000 2.387 164 Y HA 0.606 5.157 4.550 0.001 0.000 0.330 164 Y C -0.170 175.570 175.900 -0.266 0.000 1.133 164 Y CA -0.536 57.414 58.100 -0.249 0.000 1.152 164 Y CB 1.746 40.079 38.460 -0.211 0.000 1.215 164 Y HN 0.276 nan 8.280 nan 0.000 0.466 165 L N 1.731 122.970 121.223 0.027 0.000 2.330 165 L HA 0.521 4.862 4.340 0.001 0.000 0.271 165 L C -0.295 176.615 176.870 0.067 0.000 1.013 165 L CA -0.972 53.852 54.840 -0.028 0.000 0.816 165 L CB 1.959 43.987 42.059 -0.053 0.000 1.287 165 L HN 0.457 nan 8.230 nan 0.000 0.435 166 S N 0.038 115.785 115.700 0.079 0.000 2.422 166 S HA 0.461 4.932 4.470 0.001 0.000 0.308 166 S C 0.634 175.357 174.600 0.206 0.000 1.097 166 S CA -0.396 57.885 58.200 0.135 0.000 1.099 166 S CB 1.049 64.406 63.200 0.261 0.000 0.976 166 S HN 0.802 nan 8.310 nan 0.000 0.471 167 G N 2.695 111.610 108.800 0.192 0.000 3.189 167 G HA2 0.563 4.524 3.960 0.001 0.000 0.225 167 G HA3 0.563 4.524 3.960 0.001 0.000 0.225 167 G C 0.609 175.658 174.900 0.248 0.000 1.159 167 G CA 0.145 45.420 45.100 0.292 0.000 0.763 167 G HN 1.171 nan 8.290 nan 0.000 0.549 168 G N -0.535 108.356 108.800 0.151 0.000 2.399 168 G HA2 0.371 4.331 3.960 0.001 0.000 0.256 168 G HA3 0.371 4.331 3.960 0.001 0.000 0.256 168 G C -3.312 171.588 174.900 0.000 0.000 1.236 168 G CA -0.743 44.400 45.100 0.072 0.000 0.914 168 G HN -0.048 nan 8.290 nan 0.000 0.482 169 P HA 0.392 nan 4.420 nan 0.000 0.264 169 P C 0.581 177.771 177.300 -0.182 0.000 1.193 169 P CA 1.767 64.818 63.100 -0.082 0.000 0.763 169 P CB 1.173 32.776 31.700 -0.163 0.000 0.810 170 A N 3.717 126.406 122.820 -0.218 0.000 2.816 170 A HA -0.080 4.240 4.320 0.001 0.000 0.270 170 A C 1.465 178.702 177.584 -0.577 0.000 1.413 170 A CA 1.366 53.248 52.037 -0.259 0.000 0.866 170 A CB -2.433 16.542 19.000 -0.042 0.000 1.032 170 A HN 1.089 nan 8.150 nan 0.000 0.642 171 G N -2.253 105.896 108.800 -1.086 0.000 2.136 171 G HA2 -0.178 3.783 3.960 0.001 0.000 0.242 171 G HA3 -0.178 3.783 3.960 0.001 0.000 0.242 171 G C -0.286 174.519 174.900 -0.159 0.000 0.989 171 G CA 0.877 45.641 45.100 -0.560 0.000 0.682 171 G HN 1.264 nan 8.290 nan 0.000 0.522 172 E N -0.805 119.333 120.200 -0.105 0.000 2.183 172 E HA 0.546 4.897 4.350 0.001 0.000 0.271 172 E C -0.069 176.589 176.600 0.096 0.000 0.919 172 E CA -1.124 55.306 56.400 0.049 0.000 0.781 172 E CB 2.005 31.753 29.700 0.080 0.000 1.140 172 E HN 0.189 nan 8.360 nan 0.000 0.402 173 L N 5.319 126.666 121.223 0.206 0.000 2.536 173 L HA 0.155 4.496 4.340 0.001 0.000 0.282 173 L C -0.268 176.695 176.870 0.155 0.000 1.174 173 L CA 0.860 55.826 54.840 0.209 0.000 0.989 173 L CB -0.876 41.386 42.059 0.337 0.000 1.311 173 L HN 0.591 nan 8.230 nan 0.000 0.455 174 R N 1.929 122.382 120.500 -0.079 0.000 2.835 174 R HA 0.362 4.703 4.340 0.001 0.000 0.271 174 R C -1.504 174.527 176.300 -0.449 0.000 1.013 174 R CA -1.059 54.874 56.100 -0.279 0.000 0.876 174 R CB 0.409 30.588 30.300 -0.202 0.000 1.348 174 R HN 0.128 nan 8.270 nan 0.000 0.453 175 Y N 0.322 120.408 120.300 -0.357 0.000 2.403 175 Y HA 0.417 4.967 4.550 0.001 0.000 0.323 175 Y C -1.668 173.951 175.900 -0.469 0.000 1.226 175 Y CA -2.251 55.580 58.100 -0.448 0.000 1.235 175 Y CB 1.534 39.797 38.460 -0.329 0.000 1.248 175 Y HN 0.388 nan 8.280 nan 0.000 0.489 176 P HA 0.017 nan 4.420 nan 0.000 0.218 176 P C 0.225 177.390 177.300 -0.225 0.000 1.793 176 P CA 0.190 63.050 63.100 -0.399 0.000 0.941 176 P CB -0.095 31.336 31.700 -0.447 0.000 1.919 177 S N 0.056 115.674 115.700 -0.136 0.000 2.461 177 S HA -0.101 4.370 4.470 0.001 0.000 0.228 177 S C 0.695 175.387 174.600 0.153 0.000 1.005 177 S CA 0.037 58.253 58.200 0.026 0.000 0.942 177 S CB -1.059 62.178 63.200 0.062 0.000 0.776 177 S HN 0.394 nan 8.310 nan 0.000 0.514 178 Y N 2.011 122.358 120.300 0.078 0.000 2.575 178 Y HA 0.738 5.288 4.550 0.001 0.000 0.326 178 Y C -0.214 175.745 175.900 0.098 0.000 0.979 178 Y CA -0.937 57.249 58.100 0.144 0.000 1.286 178 Y CB 0.295 38.952 38.460 0.328 0.000 1.093 178 Y HN 0.124 nan 8.280 nan 0.000 0.501 179 T N -1.571 113.065 114.554 0.136 0.000 2.906 179 T HA 0.308 4.659 4.350 0.001 0.000 0.295 179 T C 0.595 175.336 174.700 0.068 0.000 1.061 179 T CA -0.581 61.559 62.100 0.067 0.000 1.000 179 T CB 1.759 70.634 68.868 0.011 0.000 1.103 179 T HN 0.462 nan 8.240 nan 0.000 0.486 180 T N 1.638 116.220 114.554 0.047 0.000 2.708 180 T HA -0.106 4.244 4.350 0.001 0.000 0.266 180 T C 2.225 176.938 174.700 0.021 0.000 1.037 180 T CA 1.925 64.044 62.100 0.031 0.000 1.146 180 T CB -0.622 68.257 68.868 0.018 0.000 0.865 180 T HN 0.704 nan 8.240 nan 0.000 0.435 181 S N 1.410 117.118 115.700 0.014 0.000 2.370 181 S HA -0.153 4.318 4.470 0.001 0.000 0.226 181 S C 1.795 176.404 174.600 0.014 0.000 1.033 181 S CA 1.294 59.498 58.200 0.007 0.000 1.011 181 S CB -0.423 62.776 63.200 -0.001 0.000 0.852 181 S HN 0.437 nan 8.310 nan 0.000 0.457 182 D N 0.397 120.813 120.400 0.026 0.000 2.349 182 D HA 0.152 4.793 4.640 0.001 0.000 0.224 182 D C 1.154 177.474 176.300 0.034 0.000 1.029 182 D CA 0.590 54.609 54.000 0.032 0.000 0.879 182 D CB -0.408 40.419 40.800 0.045 0.000 0.906 182 D HN 0.412 nan 8.370 nan 0.000 0.528 183 G N 0.696 109.516 108.800 0.034 0.000 2.295 183 G HA2 -0.276 3.685 3.960 0.001 0.000 0.287 183 G HA3 -0.276 3.685 3.960 0.001 0.000 0.287 183 G C 0.736 175.664 174.900 0.048 0.000 1.055 183 G CA 0.942 46.060 45.100 0.031 0.000 0.922 183 G HN 0.443 nan 8.290 nan 0.000 0.503 184 T N -2.835 111.767 114.554 0.080 0.000 3.231 184 T HA 0.575 4.925 4.350 0.001 0.000 0.292 184 T C 1.258 176.076 174.700 0.196 0.000 1.001 184 T CA 0.721 62.896 62.100 0.126 0.000 0.920 184 T CB 0.953 69.905 68.868 0.139 0.000 1.140 184 T HN 1.336 nan 8.240 nan 0.000 0.525 185 G N 0.915 109.796 108.800 0.135 0.000 2.636 185 G HA2 0.373 4.334 3.960 0.001 0.000 0.246 185 G HA3 0.373 4.334 3.960 0.001 0.000 0.246 185 G C -0.419 174.476 174.900 -0.009 0.000 1.216 185 G CA -0.799 44.382 45.100 0.135 0.000 0.854 185 G HN 0.534 nan 8.290 nan 0.000 0.572 186 Y N 1.938 121.995 120.300 -0.406 0.000 2.805 186 Y HA 0.192 4.742 4.550 0.001 0.000 0.337 186 Y C -0.856 174.751 175.900 -0.489 0.000 1.252 186 Y CA -0.809 56.712 58.100 -0.966 0.000 1.515 186 Y CB 1.079 38.673 38.460 -1.442 0.000 1.305 186 Y HN 0.341 nan 8.280 nan 0.000 0.600 187 P HA 0.113 nan 4.420 nan 0.000 0.261 187 P C -0.535 176.569 177.300 -0.327 0.000 1.352 187 P CA 0.010 62.336 63.100 -1.289 0.000 0.891 187 P CB 0.158 31.106 31.700 -1.254 0.000 1.383 188 S N 1.412 117.018 115.700 -0.157 0.000 2.572 188 S HA 0.124 4.595 4.470 0.001 0.000 0.267 188 S C 0.805 175.518 174.600 0.188 0.000 1.361 188 S CA -0.478 57.739 58.200 0.030 0.000 1.009 188 S CB 0.335 63.551 63.200 0.027 0.000 0.888 188 S HN 0.348 nan 8.310 nan 0.000 0.553 189 R N 0.245 120.813 120.500 0.114 0.000 2.707 189 R HA 0.569 4.909 4.340 0.001 0.000 0.270 189 R C 0.481 176.828 176.300 0.080 0.000 1.083 189 R CA -0.476 55.673 56.100 0.081 0.000 1.182 189 R CB -0.065 30.256 30.300 0.035 0.000 1.084 189 R HN 0.600 nan 8.270 nan 0.000 0.528 190 G N 0.661 109.466 108.800 0.009 0.000 2.477 190 G HA2 0.351 4.312 3.960 0.001 0.000 0.304 190 G HA3 0.351 4.312 3.960 0.001 0.000 0.304 190 G C -1.018 173.823 174.900 -0.098 0.000 1.175 190 G CA -1.006 44.095 45.100 0.002 0.000 0.907 190 G HN 0.483 nan 8.290 nan 0.000 0.509 191 K N -0.224 120.142 120.400 -0.057 0.000 2.156 191 K HA 0.391 4.712 4.320 0.001 0.000 0.254 191 K C -0.877 175.685 176.600 -0.063 0.000 0.950 191 K CA -0.465 55.799 56.287 -0.039 0.000 0.849 191 K CB 1.768 34.294 32.500 0.044 0.000 1.100 191 K HN 0.356 nan 8.250 nan 0.000 0.434 192 F N 1.557 121.568 119.950 0.101 0.000 2.506 192 F HA 0.017 4.545 4.527 0.001 0.000 0.351 192 F C 1.346 177.298 175.800 0.255 0.000 1.136 192 F CA 0.205 58.247 58.000 0.070 0.000 1.298 192 F CB 0.684 39.632 39.000 -0.087 0.000 1.145 192 F HN 0.236 nan 8.300 nan 0.000 0.593 193 Q N 2.928 122.941 119.800 0.356 0.000 2.490 193 Q HA 0.376 4.716 4.340 0.001 0.000 0.397 193 Q C -0.245 175.990 176.000 0.390 0.000 0.937 193 Q CA -0.103 55.928 55.803 0.379 0.000 1.108 193 Q CB 1.195 30.104 28.738 0.285 0.000 1.336 193 Q HN 0.665 nan 8.270 nan 0.000 0.410 194 A N 0.138 123.082 122.820 0.206 0.000 2.795 194 A HA 0.352 4.673 4.320 0.001 0.000 0.282 194 A C -0.394 177.069 177.584 -0.201 0.000 0.964 194 A CA -0.300 51.802 52.037 0.109 0.000 1.045 194 A CB -0.009 19.136 19.000 0.243 0.000 1.174 194 A HN 0.279 nan 8.150 nan 0.000 0.493 195 Y N 0.774 121.208 120.300 0.222 0.000 2.607 195 Y HA 0.161 4.712 4.550 0.001 0.000 0.266 195 Y C 1.365 177.361 175.900 0.160 0.000 1.178 195 Y CA 0.231 58.426 58.100 0.158 0.000 1.226 195 Y CB 0.134 38.666 38.460 0.119 0.000 1.144 195 Y HN 0.404 nan 8.280 nan 0.000 0.528 196 T N -3.079 111.623 114.554 0.247 0.000 2.899 196 T HA 0.128 4.478 4.350 0.001 0.000 0.284 196 T C 1.136 175.940 174.700 0.174 0.000 1.004 196 T CA -0.683 61.535 62.100 0.197 0.000 1.043 196 T CB 1.493 70.429 68.868 0.113 0.000 1.013 196 T HN 0.069 nan 8.240 nan 0.000 0.518 197 E N 0.182 120.476 120.200 0.158 0.000 2.153 197 E HA -0.067 4.284 4.350 0.001 0.000 0.194 197 E C 1.407 178.101 176.600 0.156 0.000 0.988 197 E CA 0.788 57.273 56.400 0.141 0.000 0.811 197 E CB -0.372 29.406 29.700 0.129 0.000 0.746 197 E HN 0.769 nan 8.360 nan 0.000 0.466 198 F N 1.399 121.372 119.950 0.039 0.000 2.146 198 F HA -0.112 4.415 4.527 0.001 0.000 0.298 198 F C 2.236 178.105 175.800 0.115 0.000 1.096 198 F CA 1.259 59.287 58.000 0.047 0.000 1.275 198 F CB -0.306 38.688 39.000 -0.011 0.000 1.008 198 F HN -0.015 nan 8.300 nan 0.000 0.480 199 A N 0.265 123.188 122.820 0.171 0.000 1.877 199 A HA -0.197 4.124 4.320 0.001 0.000 0.216 199 A C 2.238 179.910 177.584 0.146 0.000 1.186 199 A CA 1.827 54.007 52.037 0.238 0.000 0.620 199 A CB -0.649 18.540 19.000 0.316 0.000 0.822 199 A HN 0.430 nan 8.150 nan 0.000 0.443 200 K N 0.468 120.912 120.400 0.074 0.000 2.057 200 K HA -0.143 4.178 4.320 0.001 0.000 0.207 200 K C 2.406 179.004 176.600 -0.004 0.000 1.049 200 K CA 1.698 58.007 56.287 0.037 0.000 0.931 200 K CB -0.272 32.263 32.500 0.058 0.000 0.714 200 K HN 0.657 nan 8.250 nan 0.000 0.440 201 S N 1.122 116.797 115.700 -0.042 0.000 2.383 201 S HA -0.087 4.384 4.470 0.001 0.000 0.227 201 S C 1.799 176.331 174.600 -0.113 0.000 1.026 201 S CA 0.758 58.910 58.200 -0.081 0.000 0.981 201 S CB -0.039 63.105 63.200 -0.092 0.000 0.818 201 S HN 0.083 nan 8.310 nan 0.000 0.472 202 K N 1.021 121.342 120.400 -0.131 0.000 2.057 202 K HA 0.081 4.401 4.320 0.001 0.000 0.206 202 K C 1.747 178.338 176.600 -0.015 0.000 1.050 202 K CA 0.965 57.249 56.287 -0.004 0.000 0.935 202 K CB -1.104 31.485 32.500 0.149 0.000 0.715 202 K HN 0.510 nan 8.250 nan 0.000 0.439 203 F N 2.669 122.279 119.950 -0.568 0.000 2.075 203 F HA -0.151 4.377 4.527 0.001 0.000 0.297 203 F C 2.528 178.130 175.800 -0.331 0.000 1.113 203 F CA 1.488 58.795 58.000 -1.156 0.000 1.218 203 F CB -0.389 37.808 39.000 -1.338 0.000 0.984 203 F HN -0.056 nan 8.300 nan 0.000 0.472 204 R N 0.422 120.701 120.500 -0.369 0.000 2.083 204 R HA -0.175 4.166 4.340 0.001 0.000 0.237 204 R C 2.404 178.578 176.300 -0.209 0.000 1.137 204 R CA 2.068 57.980 56.100 -0.313 0.000 0.951 204 R CB -0.620 29.594 30.300 -0.145 0.000 0.851 204 R HN 0.440 nan 8.270 nan 0.000 0.434 205 L N -0.842 120.314 121.223 -0.112 0.000 2.079 205 L HA -0.221 4.120 4.340 0.001 0.000 0.210 205 L C 2.330 179.190 176.870 -0.017 0.000 1.081 205 L CA 1.465 56.275 54.840 -0.050 0.000 0.752 205 L CB -0.558 41.500 42.059 -0.001 0.000 0.896 205 L HN 0.408 nan 8.230 nan 0.000 0.433 206 W N 0.217 121.414 121.300 -0.171 0.000 2.355 206 W HA -0.174 4.486 4.660 0.001 0.000 0.309 206 W C 2.297 178.709 176.519 -0.179 0.000 1.206 206 W CA 1.651 58.935 57.345 -0.101 0.000 1.284 206 W CB -0.278 29.179 29.460 -0.004 0.000 1.145 206 W HN -0.209 nan 8.180 nan 0.000 0.502 207 V N 1.166 120.992 119.914 -0.147 0.000 2.261 207 V HA -0.339 3.782 4.120 0.001 0.000 0.246 207 V C 2.343 178.247 176.094 -0.318 0.000 1.047 207 V CA 2.154 64.284 62.300 -0.284 0.000 1.015 207 V CB -1.262 30.357 31.823 -0.340 0.000 0.642 207 V HN 0.212 nan 8.190 nan 0.000 0.446 208 L N 0.488 121.559 121.223 -0.253 0.000 2.127 208 L HA -0.217 4.123 4.340 0.001 0.000 0.211 208 L C 2.385 179.126 176.870 -0.215 0.000 1.089 208 L CA 2.065 56.785 54.840 -0.200 0.000 0.757 208 L CB -0.798 41.169 42.059 -0.154 0.000 0.899 208 L HN 0.501 nan 8.230 nan 0.000 0.434 209 N N 0.429 118.972 118.700 -0.260 0.000 2.142 209 N HA -0.231 4.510 4.740 0.001 0.000 0.186 209 N C 1.881 177.162 175.510 -0.381 0.000 1.023 209 N CA 1.345 54.233 53.050 -0.269 0.000 0.852 209 N CB 0.006 38.349 38.487 -0.241 0.000 0.998 209 N HN 0.149 nan 8.380 nan 0.000 0.424 210 K N -1.020 119.007 120.400 -0.621 0.000 2.062 210 K HA -0.105 4.215 4.320 0.001 0.000 0.205 210 K C 0.860 177.036 176.600 -0.708 0.000 1.051 210 K CA 1.151 56.964 56.287 -0.791 0.000 0.941 210 K CB -0.133 31.620 32.500 -1.245 0.000 0.719 210 K HN 0.366 nan 8.250 nan 0.000 0.440 211 Y N -0.318 119.800 120.300 -0.303 0.000 2.457 211 Y HA 0.150 4.701 4.550 0.001 0.000 0.263 211 Y C 1.560 177.339 175.900 -0.202 0.000 1.164 211 Y CA -0.070 57.881 58.100 -0.249 0.000 1.274 211 Y CB 0.786 39.057 38.460 -0.314 0.000 1.097 211 Y HN 0.398 nan 8.280 nan 0.000 0.523 212 G N 0.744 109.481 108.800 -0.105 0.000 5.260 212 G HA2 -0.399 3.562 3.960 0.001 0.000 0.276 212 G HA3 -0.399 3.562 3.960 0.001 0.000 0.276 212 G C 0.517 175.369 174.900 -0.080 0.000 1.357 212 G CA 0.699 45.747 45.100 -0.087 0.000 1.008 212 G HN 0.511 nan 8.290 nan 0.000 0.777 213 S N -0.020 115.639 115.700 -0.068 0.000 2.607 213 S HA 0.693 5.164 4.470 0.001 0.000 0.303 213 S C 0.862 175.392 174.600 -0.116 0.000 1.086 213 S CA 0.165 58.315 58.200 -0.083 0.000 0.995 213 S CB 2.265 65.424 63.200 -0.068 0.000 1.084 213 S HN 1.312 nan 8.310 nan 0.000 0.507 214 L N 1.584 122.734 121.223 -0.122 0.000 2.261 214 L HA -0.048 4.293 4.340 0.001 0.000 0.216 214 L C 1.694 178.469 176.870 -0.159 0.000 1.114 214 L CA 1.804 56.552 54.840 -0.153 0.000 0.777 214 L CB -1.232 40.760 42.059 -0.112 0.000 0.910 214 L HN 0.739 nan 8.230 nan 0.000 0.440 215 N N -0.130 118.497 118.700 -0.120 0.000 2.039 215 N HA -0.164 4.577 4.740 0.001 0.000 0.193 215 N C 1.720 177.140 175.510 -0.149 0.000 1.044 215 N CA 1.557 54.541 53.050 -0.110 0.000 0.847 215 N CB -0.273 38.168 38.487 -0.077 0.000 1.030 215 N HN 0.362 nan 8.380 nan 0.000 0.422 216 E N 0.540 120.651 120.200 -0.149 0.000 2.110 216 E HA -0.088 4.263 4.350 0.001 0.000 0.193 216 E C 2.136 178.471 176.600 -0.442 0.000 0.988 216 E CA 0.437 56.723 56.400 -0.190 0.000 0.804 216 E CB -0.427 29.236 29.700 -0.060 0.000 0.745 216 E HN 0.132 nan 8.360 nan 0.000 0.458 217 V N 2.506 122.125 119.914 -0.491 0.000 2.233 217 V HA -0.278 3.843 4.120 0.001 0.000 0.247 217 V C 2.078 177.766 176.094 -0.677 0.000 1.050 217 V CA 1.938 63.715 62.300 -0.872 0.000 1.010 217 V CB -0.610 30.775 31.823 -0.731 0.000 0.637 217 V HN 0.212 nan 8.190 nan 0.000 0.444 218 N N -0.012 118.484 118.700 -0.339 0.000 2.149 218 N HA -0.191 4.550 4.740 0.001 0.000 0.188 218 N C 1.780 177.229 175.510 -0.102 0.000 1.019 218 N CA 1.562 54.533 53.050 -0.133 0.000 0.857 218 N CB -0.375 38.060 38.487 -0.087 0.000 0.997 218 N HN 0.564 nan 8.380 nan 0.000 0.426 219 K N 1.079 121.379 120.400 -0.166 0.000 1.965 219 K HA -0.125 4.196 4.320 0.001 0.000 0.220 219 K C 1.931 178.468 176.600 -0.104 0.000 1.046 219 K CA 1.713 57.928 56.287 -0.121 0.000 0.974 219 K CB -0.340 32.078 32.500 -0.137 0.000 0.738 219 K HN 0.044 nan 8.250 nan 0.000 0.444 220 A N 0.442 123.131 122.820 -0.218 0.000 1.948 220 A HA -0.185 4.136 4.320 0.001 0.000 0.220 220 A C 1.836 179.479 177.584 0.099 0.000 1.177 220 A CA 1.717 53.671 52.037 -0.139 0.000 0.636 220 A CB -0.960 17.799 19.000 -0.403 0.000 0.815 220 A HN 0.665 nan 8.150 nan 0.000 0.449 221 W N -1.181 120.018 121.300 -0.169 0.000 2.770 221 W HA 0.321 4.982 4.660 0.001 0.000 0.256 221 W C 1.670 178.167 176.519 -0.038 0.000 1.291 221 W CA 0.372 57.686 57.345 -0.053 0.000 1.396 221 W CB -1.001 28.441 29.460 -0.030 0.000 1.114 221 W HN 0.640 nan 8.180 nan 0.000 0.637 222 G N 1.436 110.327 108.800 0.152 0.000 2.273 222 G HA2 -0.257 3.704 3.960 0.001 0.000 0.280 222 G HA3 -0.257 3.704 3.960 0.001 0.000 0.280 222 G C 0.318 175.263 174.900 0.075 0.000 1.047 222 G CA 0.723 45.869 45.100 0.077 0.000 0.869 222 G HN 0.278 nan 8.290 nan 0.000 0.502 223 T N -3.314 111.303 114.554 0.104 0.000 2.940 223 T HA 0.735 5.085 4.350 0.001 0.000 0.288 223 T C 0.023 174.745 174.700 0.038 0.000 1.045 223 T CA -0.531 61.618 62.100 0.082 0.000 1.018 223 T CB 2.559 71.528 68.868 0.169 0.000 1.151 223 T HN 0.316 nan 8.240 nan 0.000 0.529 224 K N 1.516 121.929 120.400 0.021 0.000 2.800 224 K HA 0.392 4.713 4.320 0.001 0.000 0.185 224 K C -0.890 175.711 176.600 0.002 0.000 1.082 224 K CA -0.486 55.803 56.287 0.003 0.000 0.978 224 K CB -0.141 32.357 32.500 -0.004 0.000 1.364 224 K HN 0.574 nan 8.250 nan 0.000 0.592 225 L N 3.709 124.935 121.223 0.005 0.000 2.319 225 L HA 0.190 4.531 4.340 0.001 0.000 0.280 225 L C 1.353 178.214 176.870 -0.015 0.000 1.099 225 L CA -0.411 54.430 54.840 0.002 0.000 0.828 225 L CB 0.853 42.918 42.059 0.010 0.000 1.150 225 L HN 0.519 nan 8.230 nan 0.000 0.442 226 I N 1.634 122.196 120.570 -0.012 0.000 2.480 226 I HA -0.026 4.144 4.170 0.001 0.000 0.251 226 I C 1.006 177.111 176.117 -0.020 0.000 1.124 226 I CA 0.993 62.284 61.300 -0.016 0.000 1.444 226 I CB 0.388 38.381 38.000 -0.011 0.000 1.098 226 I HN 0.568 nan 8.210 nan 0.000 0.428 227 S N -0.993 114.697 115.700 -0.017 0.000 2.599 227 S HA 0.329 4.800 4.470 0.001 0.000 0.287 227 S C 0.689 175.273 174.600 -0.027 0.000 1.105 227 S CA -0.601 57.587 58.200 -0.021 0.000 0.899 227 S CB 1.153 64.346 63.200 -0.012 0.000 1.100 227 S HN 0.286 nan 8.310 nan 0.000 0.482 228 E N 1.795 121.972 120.200 -0.038 0.000 2.204 228 E HA -0.062 4.289 4.350 0.001 0.000 0.195 228 E C 1.259 177.840 176.600 -0.032 0.000 0.990 228 E CA 0.924 57.293 56.400 -0.052 0.000 0.821 228 E CB -0.240 29.423 29.700 -0.061 0.000 0.750 228 E HN 0.586 nan 8.360 nan 0.000 0.477 229 L N 0.300 121.515 121.223 -0.014 0.000 2.551 229 L HA -0.006 4.334 4.340 0.001 0.000 0.228 229 L C 2.275 179.157 176.870 0.020 0.000 1.153 229 L CA 0.200 55.042 54.840 0.003 0.000 0.851 229 L CB -0.202 41.861 42.059 0.007 0.000 0.959 229 L HN 0.111 nan 8.230 nan 0.000 0.451 230 A N 0.032 122.864 122.820 0.019 0.000 2.119 230 A HA 0.096 4.417 4.320 0.001 0.000 0.216 230 A C 1.224 178.852 177.584 0.073 0.000 1.152 230 A CA 0.064 52.121 52.037 0.034 0.000 0.708 230 A CB -0.302 18.712 19.000 0.022 0.000 0.805 230 A HN 0.273 nan 8.150 nan 0.000 0.460 231 I N 1.750 122.370 120.570 0.084 0.000 2.578 231 I HA 0.150 4.321 4.170 0.001 0.000 0.286 231 I C -0.447 175.797 176.117 0.211 0.000 1.126 231 I CA 0.622 62.029 61.300 0.178 0.000 1.380 231 I CB -0.120 37.905 38.000 0.041 0.000 1.408 231 I HN 0.215 nan 8.210 nan 0.000 0.532 232 L N 7.929 129.338 121.223 0.309 0.000 2.491 232 L HA 0.598 4.939 4.340 0.001 0.000 0.254 232 L C -2.428 174.573 176.870 0.218 0.000 1.048 232 L CA -1.890 53.105 54.840 0.257 0.000 0.855 232 L CB 2.431 44.553 42.059 0.106 0.000 1.466 232 L HN 0.300 nan 8.230 nan 0.000 0.409 233 P HA 0.254 nan 4.420 nan 0.000 0.277 233 P C -2.715 174.280 177.300 -0.508 0.000 1.271 233 P CA -1.619 61.021 63.100 -0.767 0.000 0.795 233 P CB -0.559 30.596 31.700 -0.909 0.000 1.101 234 P HA -0.017 nan 4.420 nan 0.000 0.261 234 P C 0.998 178.246 177.300 -0.086 0.000 1.183 234 P CA 0.586 63.422 63.100 -0.440 0.000 0.761 234 P CB -0.075 31.123 31.700 -0.838 0.000 0.785 235 S N 1.040 116.718 115.700 -0.037 0.000 2.406 235 S HA -0.062 4.409 4.470 0.001 0.000 0.228 235 S C 0.668 175.260 174.600 -0.013 0.000 1.020 235 S CA 0.717 58.915 58.200 -0.005 0.000 0.965 235 S CB -0.230 62.962 63.200 -0.013 0.000 0.798 235 S HN 0.472 nan 8.310 nan 0.000 0.488 236 D N 0.615 121.025 120.400 0.016 0.000 2.469 236 D HA 0.536 5.177 4.640 0.001 0.000 0.251 236 D C 0.977 177.348 176.300 0.118 0.000 1.173 236 D CA -0.304 53.725 54.000 0.047 0.000 0.882 236 D CB 1.158 41.989 40.800 0.051 0.000 1.129 236 D HN 0.047 nan 8.370 nan 0.000 0.549 237 G N 2.972 111.858 108.800 0.143 0.000 2.421 237 G HA2 -0.278 3.683 3.960 0.001 0.000 0.216 237 G HA3 -0.278 3.683 3.960 0.001 0.000 0.216 237 G C 1.142 176.220 174.900 0.298 0.000 1.171 237 G CA 0.839 46.116 45.100 0.294 0.000 0.775 237 G HN 0.593 nan 8.290 nan 0.000 0.543 238 E N -0.107 120.200 120.200 0.178 0.000 2.049 238 E HA -0.278 4.072 4.350 0.001 0.000 0.198 238 E C 2.426 179.120 176.600 0.156 0.000 1.007 238 E CA 1.525 58.011 56.400 0.142 0.000 0.809 238 E CB -0.251 29.502 29.700 0.089 0.000 0.749 238 E HN 0.475 nan 8.360 nan 0.000 0.450 239 Q N 0.267 120.153 119.800 0.143 0.000 2.096 239 Q HA -0.224 4.117 4.340 0.001 0.000 0.204 239 Q C 2.065 178.168 176.000 0.171 0.000 0.982 239 Q CA 1.708 57.587 55.803 0.125 0.000 0.850 239 Q CB -0.562 28.233 28.738 0.095 0.000 0.901 239 Q HN 0.438 nan 8.270 nan 0.000 0.422 240 F N 0.867 120.874 119.950 0.095 0.000 2.171 240 F HA -0.107 4.421 4.527 0.002 0.000 0.300 240 F C 1.992 177.933 175.800 0.234 0.000 1.090 240 F CA 1.091 59.162 58.000 0.118 0.000 1.293 240 F CB -0.052 38.967 39.000 0.032 0.000 1.013 240 F HN 0.057 nan 8.300 nan 0.000 0.486 241 L N -0.635 120.786 121.223 0.330 0.000 2.313 241 L HA -0.149 4.192 4.340 0.001 0.000 0.214 241 L C 2.245 179.218 176.870 0.171 0.000 1.119 241 L CA 0.645 55.608 54.840 0.204 0.000 0.809 241 L CB -0.433 41.730 42.059 0.173 0.000 0.933 241 L HN 0.240 nan 8.230 nan 0.000 0.449 242 M N -0.174 119.528 119.600 0.170 0.000 2.193 242 M HA -0.067 4.414 4.480 0.001 0.000 0.265 242 M C 1.464 177.865 176.300 0.169 0.000 1.071 242 M CA 1.539 56.927 55.300 0.147 0.000 1.140 242 M CB -0.049 32.598 32.600 0.078 0.000 1.369 242 M HN 0.448 nan 8.290 nan 0.000 0.423 243 N N -1.955 116.772 118.700 0.045 0.000 1.893 243 N HA 0.014 4.755 4.740 0.001 0.000 0.232 243 N C 1.392 176.689 175.510 -0.354 0.000 1.392 243 N CA 0.681 53.605 53.050 -0.210 0.000 0.801 243 N CB -0.328 38.072 38.487 -0.146 0.000 1.084 243 N HN 0.218 nan 8.380 nan 0.000 0.479 244 G N 1.693 110.334 108.800 -0.265 0.000 2.475 244 G HA2 -0.310 3.651 3.960 0.001 0.000 0.220 244 G HA3 -0.310 3.651 3.960 0.001 0.000 0.220 244 G C 1.291 175.717 174.900 -0.790 0.000 1.125 244 G CA 1.411 46.280 45.100 -0.385 0.000 0.755 244 G HN 0.587 nan 8.290 nan 0.000 0.565 245 Y N 0.030 119.661 120.300 -1.115 0.000 2.483 245 Y HA 0.207 4.757 4.550 0.001 0.000 0.291 245 Y C 2.132 177.831 175.900 -0.334 0.000 1.143 245 Y CA 0.430 58.013 58.100 -0.862 0.000 1.289 245 Y CB -0.326 37.811 38.460 -0.537 0.000 0.983 245 Y HN 0.128 nan 8.280 nan 0.000 0.556 246 L N 0.614 121.376 121.223 -0.769 0.000 2.179 246 L HA -0.028 4.312 4.340 0.001 0.000 0.208 246 L C 1.581 178.311 176.870 -0.234 0.000 1.096 246 L CA 0.504 55.024 54.840 -0.534 0.000 0.779 246 L CB -0.544 41.164 42.059 -0.585 0.000 0.922 246 L HN 0.328 nan 8.230 nan 0.000 0.443 247 S N -0.683 114.902 115.700 -0.191 0.000 2.584 247 S HA -0.018 4.453 4.470 0.001 0.000 0.270 247 S C 0.928 175.519 174.600 -0.014 0.000 1.346 247 S CA -0.527 57.628 58.200 -0.075 0.000 1.018 247 S CB 1.014 64.187 63.200 -0.045 0.000 0.899 247 S HN 0.132 nan 8.310 nan 0.000 0.542 248 M N 1.458 121.080 119.600 0.038 0.000 2.202 248 M HA -0.087 4.394 4.480 0.001 0.000 0.262 248 M C 1.629 177.971 176.300 0.069 0.000 1.063 248 M CA 1.669 57.046 55.300 0.129 0.000 1.097 248 M CB -1.264 31.479 32.600 0.240 0.000 1.382 248 M HN 0.901 nan 8.290 nan 0.000 0.413 249 Y N -0.307 119.752 120.300 -0.403 0.000 2.181 249 Y HA 0.022 4.572 4.550 0.001 0.000 0.288 249 Y C 2.022 177.853 175.900 -0.115 0.000 1.146 249 Y CA 1.947 59.552 58.100 -0.824 0.000 1.164 249 Y CB -1.046 36.737 38.460 -1.128 0.000 0.982 249 Y HN 0.224 nan 8.280 nan 0.000 0.515 250 G N 0.403 109.129 108.800 -0.123 0.000 2.422 250 G HA2 -0.247 3.714 3.960 0.001 0.000 0.218 250 G HA3 -0.247 3.714 3.960 0.001 0.000 0.218 250 G C 1.653 176.639 174.900 0.144 0.000 1.146 250 G CA 0.960 46.092 45.100 0.053 0.000 0.769 250 G HN 0.417 nan 8.290 nan 0.000 0.547 251 K N 0.167 120.633 120.400 0.110 0.000 2.057 251 K HA -0.046 4.274 4.320 0.001 0.000 0.206 251 K C 2.112 178.865 176.600 0.256 0.000 1.050 251 K CA 1.272 57.664 56.287 0.176 0.000 0.935 251 K CB -0.076 32.526 32.500 0.170 0.000 0.715 251 K HN 0.104 nan 8.250 nan 0.000 0.439 252 D N -0.043 120.571 120.400 0.357 0.000 2.117 252 D HA -0.157 4.484 4.640 0.001 0.000 0.198 252 D C 1.740 178.336 176.300 0.494 0.000 0.982 252 D CA 0.948 55.324 54.000 0.626 0.000 0.828 252 D CB -0.231 41.157 40.800 0.980 0.000 0.967 252 D HN 0.147 nan 8.370 nan 0.000 0.464 253 Y N 1.407 121.769 120.300 0.103 0.000 2.181 253 Y HA -0.135 4.415 4.550 0.001 0.000 0.288 253 Y C 2.123 177.965 175.900 -0.098 0.000 1.146 253 Y CA 1.311 59.263 58.100 -0.247 0.000 1.164 253 Y CB -0.418 37.509 38.460 -0.889 0.000 0.982 253 Y HN -0.086 nan 8.280 nan 0.000 0.515 254 L N 0.068 121.249 121.223 -0.070 0.000 2.141 254 L HA -0.166 4.175 4.340 0.001 0.000 0.209 254 L C 2.518 179.379 176.870 -0.015 0.000 1.094 254 L CA 1.711 56.532 54.840 -0.033 0.000 0.763 254 L CB -0.531 41.623 42.059 0.158 0.000 0.908 254 L HN 0.308 nan 8.230 nan 0.000 0.437 255 E N -0.205 120.011 120.200 0.027 0.000 2.106 255 E HA -0.267 4.084 4.350 0.001 0.000 0.192 255 E C 2.109 178.612 176.600 -0.162 0.000 0.984 255 E CA 1.283 57.700 56.400 0.027 0.000 0.806 255 E CB -0.165 29.656 29.700 0.202 0.000 0.750 255 E HN 0.491 nan 8.360 nan 0.000 0.458 256 W N 0.157 121.066 121.300 -0.652 0.000 2.407 256 W HA -0.216 4.444 4.660 0.001 0.000 0.305 256 W C 1.923 178.171 176.519 -0.452 0.000 1.196 256 W CA 1.564 58.362 57.345 -0.913 0.000 1.311 256 W CB -0.700 28.110 29.460 -1.084 0.000 1.135 256 W HN 0.138 nan 8.180 nan 0.000 0.514 257 Y N 1.565 121.495 120.300 -0.616 0.000 2.081 257 Y HA -0.365 4.186 4.550 0.001 0.000 0.280 257 Y C 2.817 178.488 175.900 -0.381 0.000 1.163 257 Y CA 2.985 60.646 58.100 -0.732 0.000 1.135 257 Y CB -1.117 36.908 38.460 -0.725 0.000 0.970 257 Y HN 0.226 nan 8.280 nan 0.000 0.498 258 Q N -0.818 118.889 119.800 -0.154 0.000 2.172 258 Q HA -0.059 4.281 4.340 0.001 0.000 0.200 258 Q C 2.389 178.314 176.000 -0.125 0.000 0.964 258 Q CA 1.143 56.892 55.803 -0.089 0.000 0.855 258 Q CB -0.510 28.252 28.738 0.040 0.000 0.918 258 Q HN 0.583 nan 8.270 nan 0.000 0.444 259 G N 1.471 110.165 108.800 -0.178 0.000 2.450 259 G HA2 -0.231 3.730 3.960 0.001 0.000 0.220 259 G HA3 -0.231 3.730 3.960 0.001 0.000 0.220 259 G C 1.337 176.109 174.900 -0.212 0.000 1.130 259 G CA 0.822 45.836 45.100 -0.143 0.000 0.760 259 G HN 0.323 nan 8.290 nan 0.000 0.557 260 I N 0.990 121.324 120.570 -0.393 0.000 2.163 260 I HA -0.119 4.051 4.170 0.001 0.000 0.243 260 I C 2.842 178.827 176.117 -0.221 0.000 1.085 260 I CA 0.892 61.978 61.300 -0.356 0.000 1.347 260 I CB -1.252 36.451 38.000 -0.495 0.000 1.044 260 I HN 0.182 nan 8.210 nan 0.000 0.408 261 L N 0.164 121.244 121.223 -0.238 0.000 2.141 261 L HA -0.173 4.168 4.340 0.001 0.000 0.209 261 L C 2.441 179.295 176.870 -0.027 0.000 1.094 261 L CA 1.199 55.953 54.840 -0.143 0.000 0.763 261 L CB -0.604 41.361 42.059 -0.156 0.000 0.908 261 L HN 0.289 nan 8.230 nan 0.000 0.437 262 E N 0.005 120.185 120.200 -0.034 0.000 2.152 262 E HA -0.152 4.199 4.350 0.001 0.000 0.192 262 E C 1.867 178.442 176.600 -0.041 0.000 0.983 262 E CA 0.781 57.166 56.400 -0.024 0.000 0.818 262 E CB -0.027 29.663 29.700 -0.016 0.000 0.758 262 E HN 0.464 nan 8.360 nan 0.000 0.467 263 N N 0.372 119.054 118.700 -0.030 0.000 2.171 263 N HA -0.154 4.586 4.740 0.001 0.000 0.184 263 N C 1.727 177.235 175.510 -0.003 0.000 1.021 263 N CA 1.029 54.070 53.050 -0.014 0.000 0.854 263 N CB -0.443 38.041 38.487 -0.006 0.000 0.994 263 N HN 0.230 nan 8.380 nan 0.000 0.426 264 H N 0.906 119.912 119.070 -0.106 0.000 2.319 264 H HA -0.032 4.525 4.556 0.001 0.000 0.299 264 H C 1.628 176.896 175.328 -0.101 0.000 1.092 264 H CA 2.138 58.123 56.048 -0.106 0.000 1.302 264 H CB -0.440 29.250 29.762 -0.120 0.000 1.373 264 H HN 0.069 nan 8.280 nan 0.000 0.497 265 T N 0.582 115.041 114.554 -0.158 0.000 2.665 265 T HA -0.169 4.182 4.350 0.001 0.000 0.268 265 T C 1.924 176.477 174.700 -0.245 0.000 1.035 265 T CA 1.993 63.912 62.100 -0.301 0.000 1.151 265 T CB -0.132 68.496 68.868 -0.400 0.000 0.862 265 T HN 0.395 nan 8.240 nan 0.000 0.438 266 K N 0.348 120.654 120.400 -0.157 0.000 2.148 266 K HA 0.013 4.333 4.320 0.001 0.000 0.204 266 K C 2.147 178.702 176.600 -0.075 0.000 1.050 266 K CA 0.684 56.913 56.287 -0.097 0.000 0.942 266 K CB -0.293 32.171 32.500 -0.059 0.000 0.724 266 K HN 0.133 nan 8.250 nan 0.000 0.446 267 L N 1.925 123.090 121.223 -0.096 0.000 1.988 267 L HA -0.120 4.220 4.340 0.001 0.000 0.207 267 L C 2.029 178.855 176.870 -0.074 0.000 1.071 267 L CA 1.499 56.291 54.840 -0.080 0.000 0.744 267 L CB -0.523 41.483 42.059 -0.089 0.000 0.893 267 L HN 0.251 nan 8.230 nan 0.000 0.433 268 I N -2.744 117.735 120.570 -0.151 0.000 2.454 268 I HA -0.031 4.140 4.170 0.001 0.000 0.254 268 I C 2.216 178.354 176.117 0.036 0.000 1.156 268 I CA 1.412 62.705 61.300 -0.012 0.000 1.433 268 I CB -1.433 36.527 38.000 -0.067 0.000 1.082 268 I HN 0.251 nan 8.210 nan 0.000 0.432 269 G N 0.916 109.694 108.800 -0.036 0.000 2.402 269 G HA2 -0.244 3.717 3.960 0.001 0.000 0.216 269 G HA3 -0.244 3.717 3.960 0.001 0.000 0.216 269 G C 1.583 176.565 174.900 0.136 0.000 1.162 269 G CA 0.829 45.945 45.100 0.026 0.000 0.777 269 G HN 0.596 nan 8.290 nan 0.000 0.539 270 E N 0.172 120.424 120.200 0.087 0.000 2.031 270 E HA -0.090 4.261 4.350 0.001 0.000 0.193 270 E C 2.558 179.215 176.600 0.096 0.000 0.994 270 E CA 0.694 57.149 56.400 0.092 0.000 0.800 270 E CB -0.209 29.514 29.700 0.039 0.000 0.752 270 E HN 0.442 nan 8.360 nan 0.000 0.447 271 L N 0.525 121.806 121.223 0.097 0.000 2.012 271 L HA -0.194 4.146 4.340 0.001 0.000 0.210 271 L C 2.787 179.735 176.870 0.130 0.000 1.073 271 L CA 1.292 56.214 54.840 0.136 0.000 0.748 271 L CB -0.593 41.579 42.059 0.189 0.000 0.891 271 L HN 0.205 nan 8.230 nan 0.000 0.431 272 A N -0.964 121.905 122.820 0.081 0.000 1.902 272 A HA -0.232 4.088 4.320 0.001 0.000 0.217 272 A C 2.164 179.664 177.584 -0.140 0.000 1.181 272 A CA 1.476 53.401 52.037 -0.186 0.000 0.623 272 A CB -0.821 18.030 19.000 -0.247 0.000 0.818 272 A HN 0.428 nan 8.150 nan 0.000 0.443 273 H N -0.136 118.949 119.070 0.025 0.000 2.387 273 H HA -0.081 4.475 4.556 0.001 0.000 0.299 273 H C 1.922 177.255 175.328 0.009 0.000 1.090 273 H CA 1.646 57.719 56.048 0.043 0.000 1.332 273 H CB -0.328 29.451 29.762 0.027 0.000 1.386 273 H HN 0.667 nan 8.280 nan 0.000 0.516 274 N N 0.193 118.940 118.700 0.078 0.000 2.188 274 N HA -0.081 4.660 4.740 0.001 0.000 0.184 274 N C 2.041 177.518 175.510 -0.054 0.000 1.018 274 N CA 0.786 53.849 53.050 0.022 0.000 0.858 274 N CB 0.094 38.588 38.487 0.012 0.000 0.989 274 N HN 0.218 nan 8.380 nan 0.000 0.426 275 A N 0.032 122.726 122.820 -0.210 0.000 1.970 275 A HA 0.064 4.385 4.320 0.001 0.000 0.216 275 A C 1.400 178.778 177.584 -0.343 0.000 1.170 275 A CA 0.839 52.630 52.037 -0.411 0.000 0.645 275 A CB -0.305 18.232 19.000 -0.771 0.000 0.816 275 A HN 0.265 nan 8.150 nan 0.000 0.447 276 F N -0.973 119.039 119.950 0.105 0.000 2.694 276 F HA 0.103 4.631 4.527 0.001 0.000 0.292 276 F C 1.656 177.588 175.800 0.220 0.000 1.121 276 F CA -0.164 57.967 58.000 0.218 0.000 1.352 276 F CB 0.149 39.183 39.000 0.056 0.000 1.107 276 F HN 0.029 nan 8.300 nan 0.000 0.597 277 D N 0.845 121.424 120.400 0.298 0.000 2.092 277 D HA -0.177 4.464 4.640 0.001 0.000 0.193 277 D C 2.397 178.784 176.300 0.146 0.000 0.994 277 D CA 2.501 56.637 54.000 0.226 0.000 0.828 277 D CB -0.833 40.088 40.800 0.202 0.000 0.963 277 D HN 0.265 nan 8.370 nan 0.000 0.450 278 T N -1.609 113.001 114.554 0.094 0.000 2.708 278 T HA -0.124 4.226 4.350 0.001 0.000 0.266 278 T C 2.043 176.727 174.700 -0.027 0.000 1.037 278 T CA 2.013 64.129 62.100 0.028 0.000 1.146 278 T CB -0.919 67.953 68.868 0.006 0.000 0.865 278 T HN 0.042 nan 8.240 nan 0.000 0.435 279 T N 1.107 115.625 114.554 -0.060 0.000 2.770 279 T HA 0.139 4.489 4.350 0.001 0.000 0.263 279 T C 1.485 175.890 174.700 -0.493 0.000 1.039 279 T CA 1.107 63.014 62.100 -0.322 0.000 1.142 279 T CB -0.423 68.153 68.868 -0.486 0.000 0.868 279 T HN 0.447 nan 8.240 nan 0.000 0.435 280 F N 0.713 120.705 119.950 0.071 0.000 2.437 280 F HA 0.263 4.790 4.527 0.001 0.000 0.288 280 F C 1.047 176.868 175.800 0.035 0.000 1.085 280 F CA -0.426 57.600 58.000 0.045 0.000 1.430 280 F CB -0.458 38.562 39.000 0.033 0.000 1.120 280 F HN -0.035 nan 8.300 nan 0.000 0.556 281 Q N 0.581 120.506 119.800 0.208 0.000 2.453 281 Q HA -0.143 4.197 4.340 0.001 0.000 0.294 281 Q C -0.793 175.280 176.000 0.123 0.000 1.295 281 Q CA 0.464 56.348 55.803 0.135 0.000 0.853 281 Q CB -1.981 26.804 28.738 0.079 0.000 1.193 281 Q HN 0.348 nan 8.270 nan 0.000 0.461 282 V N -4.869 115.121 119.914 0.127 0.000 3.046 282 V HA 0.884 5.005 4.120 0.001 0.000 0.316 282 V C -2.379 173.723 176.094 0.013 0.000 1.104 282 V CA -2.706 59.629 62.300 0.059 0.000 1.006 282 V CB 1.782 33.619 31.823 0.024 0.000 1.058 282 V HN -0.085 nan 8.190 nan 0.000 0.440 283 P HA 0.520 nan 4.420 nan 0.000 0.272 283 P C -0.899 176.311 177.300 -0.150 0.000 1.223 283 P CA 0.025 63.097 63.100 -0.046 0.000 0.784 283 P CB 0.411 32.077 31.700 -0.056 0.000 0.923 284 I N 0.983 121.461 120.570 -0.154 0.000 2.498 284 I HA 0.624 4.794 4.170 0.001 0.000 0.290 284 I C 0.573 176.557 176.117 -0.222 0.000 1.032 284 I CA -0.328 60.812 61.300 -0.267 0.000 1.073 284 I CB 2.305 40.098 38.000 -0.344 0.000 1.251 284 I HN 0.392 nan 8.210 nan 0.000 0.426 285 G N 3.442 112.044 108.800 -0.330 0.000 2.730 285 G HA2 0.909 4.870 3.960 0.001 0.000 0.289 285 G HA3 0.909 4.870 3.960 0.001 0.000 0.289 285 G C -1.731 173.175 174.900 0.011 0.000 1.341 285 G CA -0.618 44.358 45.100 -0.206 0.000 0.932 285 G HN 0.805 nan 8.290 nan 0.000 0.481 286 A N -0.370 122.610 122.820 0.267 0.000 2.593 286 A HA 0.883 5.203 4.320 0.001 0.000 0.290 286 A C -0.936 176.920 177.584 0.453 0.000 1.126 286 A CA -0.786 51.489 52.037 0.396 0.000 0.695 286 A CB 1.692 20.904 19.000 0.354 0.000 1.290 286 A HN 0.599 nan 8.150 nan 0.000 0.414 287 K N 0.241 120.855 120.400 0.356 0.000 2.259 287 K HA 0.722 5.043 4.320 0.001 0.000 0.249 287 K C -1.428 175.325 176.600 0.255 0.000 0.942 287 K CA -0.334 56.104 56.287 0.252 0.000 0.816 287 K CB 2.344 34.918 32.500 0.125 0.000 1.155 287 K HN 0.538 nan 8.250 nan 0.000 0.428 288 I N 2.039 122.730 120.570 0.201 0.000 2.406 288 I HA 0.288 4.458 4.170 0.001 0.000 0.290 288 I C 0.000 176.214 176.117 0.161 0.000 0.999 288 I CA -0.849 60.586 61.300 0.225 0.000 1.124 288 I CB 1.878 39.955 38.000 0.129 0.000 1.289 288 I HN 0.713 nan 8.210 nan 0.000 0.441 289 A N 4.231 127.211 122.820 0.267 0.000 2.407 289 A HA 0.523 4.844 4.320 0.001 0.000 0.248 289 A C 0.642 178.240 177.584 0.024 0.000 1.082 289 A CA -0.187 51.960 52.037 0.184 0.000 0.785 289 A CB 0.252 19.493 19.000 0.401 0.000 1.020 289 A HN 0.906 nan 8.150 nan 0.000 0.489 290 G N 0.838 109.528 108.800 -0.183 0.000 2.857 290 G HA2 0.463 4.424 3.960 0.001 0.000 0.326 290 G HA3 0.463 4.424 3.960 0.001 0.000 0.326 290 G C -0.367 174.610 174.900 0.128 0.000 0.950 290 G CA -0.220 44.764 45.100 -0.195 0.000 1.400 290 G HN 0.669 nan 8.290 nan 0.000 0.473 291 V N 3.635 123.594 119.914 0.075 0.000 2.162 291 V HA 0.083 4.204 4.120 0.001 0.000 0.255 291 V C 1.209 177.095 176.094 -0.347 0.000 1.304 291 V CA -0.392 61.633 62.300 -0.458 0.000 1.198 291 V CB -1.031 30.562 31.823 -0.383 0.000 1.333 291 V HN 0.935 nan 8.190 nan 0.000 0.493 292 H N 0.699 119.760 119.070 -0.015 0.000 2.529 292 H HA 0.049 4.606 4.556 0.001 0.000 0.277 292 H C 0.710 176.238 175.328 0.333 0.000 0.999 292 H CA -0.264 55.910 56.048 0.210 0.000 1.256 292 H CB -0.167 29.736 29.762 0.236 0.000 1.402 292 H HN 0.655 nan 8.280 nan 0.000 0.566 293 W N 0.296 121.557 121.300 -0.064 0.000 2.215 293 W HA 0.395 5.055 4.660 0.001 0.000 0.342 293 W C 0.062 176.654 176.519 0.121 0.000 1.237 293 W CA -1.139 56.249 57.345 0.072 0.000 1.283 293 W CB 0.866 30.289 29.460 -0.060 0.000 1.131 293 W HN -0.046 nan 8.180 nan 0.000 0.606 294 Q N -0.020 119.967 119.800 0.313 0.000 2.468 294 Q HA -0.353 3.987 4.340 0.001 0.000 0.256 294 Q C 0.568 176.615 176.000 0.077 0.000 0.984 294 Q CA 1.694 57.598 55.803 0.169 0.000 1.110 294 Q CB -2.803 25.970 28.738 0.059 0.000 1.527 294 Q HN 0.916 nan 8.270 nan 0.000 0.535 295 Y N 2.222 122.565 120.300 0.072 0.000 2.089 295 Y HA -0.172 4.378 4.550 0.001 0.000 0.282 295 Y C 1.686 177.471 175.900 -0.192 0.000 1.139 295 Y CA 2.325 60.448 58.100 0.039 0.000 1.123 295 Y CB 0.116 38.681 38.460 0.175 0.000 0.980 295 Y HN 0.445 nan 8.280 nan 0.000 0.493 296 N N 0.188 118.999 118.700 0.184 0.000 2.376 296 N HA -0.018 4.722 4.740 0.001 0.000 0.249 296 N C -0.898 174.463 175.510 -0.247 0.000 1.140 296 N CA -0.087 52.969 53.050 0.012 0.000 0.870 296 N CB -0.914 37.719 38.487 0.244 0.000 1.124 296 N HN 0.264 nan 8.380 nan 0.000 0.505 297 N N 1.936 120.347 118.700 -0.482 0.000 2.483 297 N HA 0.095 4.836 4.740 0.001 0.000 0.264 297 N C -1.597 173.626 175.510 -0.479 0.000 1.197 297 N CA -1.036 51.470 53.050 -0.906 0.000 0.927 297 N CB 1.558 39.672 38.487 -0.621 0.000 1.065 297 N HN -0.008 nan 8.380 nan 0.000 0.461 298 P HA -0.100 nan 4.420 nan 0.000 0.216 298 P C 1.229 178.462 177.300 -0.111 0.000 1.153 298 P CA 1.815 64.812 63.100 -0.170 0.000 0.848 298 P CB 0.132 31.777 31.700 -0.091 0.000 0.787 299 T N -2.460 112.031 114.554 -0.105 0.000 2.939 299 T HA 0.024 4.375 4.350 0.001 0.000 0.254 299 T C 1.073 175.754 174.700 -0.032 0.000 1.041 299 T CA 0.381 62.458 62.100 -0.040 0.000 1.142 299 T CB -0.828 68.035 68.868 -0.009 0.000 0.874 299 T HN 0.159 nan 8.240 nan 0.000 0.452 300 I N 0.579 121.099 120.570 -0.082 0.000 2.697 300 I HA 0.489 4.659 4.170 0.001 0.000 0.279 300 I C -2.985 173.032 176.117 -0.166 0.000 1.171 300 I CA -3.017 58.237 61.300 -0.076 0.000 1.135 300 I CB 1.297 39.280 38.000 -0.029 0.000 1.445 300 I HN -0.143 nan 8.210 nan 0.000 0.541 301 P HA -0.019 nan 4.420 nan 0.000 0.266 301 P C -0.208 176.895 177.300 -0.327 0.000 1.215 301 P CA 0.755 63.640 63.100 -0.358 0.000 0.763 301 P CB 0.144 31.656 31.700 -0.313 0.000 0.806 302 H N 1.706 120.633 119.070 -0.239 0.000 2.791 302 H HA -0.141 4.416 4.556 0.001 0.000 0.302 302 H C 1.536 176.753 175.328 -0.186 0.000 1.198 302 H CA 0.969 56.882 56.048 -0.226 0.000 1.145 302 H CB -2.248 27.361 29.762 -0.255 0.000 1.385 302 H HN 0.716 nan 8.280 nan 0.000 0.409 303 G N -0.435 108.309 108.800 -0.093 0.000 2.586 303 G HA2 0.039 3.999 3.960 0.001 0.000 0.215 303 G HA3 0.039 3.999 3.960 0.001 0.000 0.215 303 G C 1.447 176.279 174.900 -0.114 0.000 1.128 303 G CA 0.975 46.025 45.100 -0.083 0.000 0.774 303 G HN 0.625 nan 8.290 nan 0.000 0.543 304 A N 0.067 122.780 122.820 -0.179 0.000 2.026 304 A HA 0.359 4.680 4.320 0.001 0.000 0.201 304 A C 1.936 179.363 177.584 -0.261 0.000 1.318 304 A CA 0.922 52.778 52.037 -0.302 0.000 0.857 304 A CB 0.192 18.727 19.000 -0.774 0.000 0.939 304 A HN 0.296 nan 8.150 nan 0.000 0.476 305 E N 0.748 120.847 120.200 -0.168 0.000 2.072 305 E HA -0.148 4.202 4.350 0.001 0.000 0.191 305 E C 1.827 178.401 176.600 -0.044 0.000 0.985 305 E CA 1.388 57.776 56.400 -0.019 0.000 0.801 305 E CB -0.116 29.643 29.700 0.097 0.000 0.750 305 E HN 0.509 nan 8.360 nan 0.000 0.452 306 K N 0.041 120.406 120.400 -0.059 0.000 2.057 306 K HA -0.105 4.216 4.320 0.001 0.000 0.207 306 K C -0.782 175.772 176.600 -0.076 0.000 1.049 306 K CA 1.268 57.552 56.287 -0.005 0.000 0.931 306 K CB -0.804 31.733 32.500 0.061 0.000 0.714 306 K HN 0.085 nan 8.250 nan 0.000 0.440 307 P HA -0.093 nan 4.420 nan 0.000 0.221 307 P C 0.772 178.024 177.300 -0.081 0.000 1.150 307 P CA 1.187 63.919 63.100 -0.613 0.000 0.800 307 P CB 0.097 31.424 31.700 -0.623 0.000 0.787 308 A N -0.903 121.868 122.820 -0.083 0.000 2.119 308 A HA 0.289 4.609 4.320 0.001 0.000 0.217 308 A C 1.787 179.234 177.584 -0.229 0.000 1.153 308 A CA 1.425 53.390 52.037 -0.121 0.000 0.692 308 A CB -1.235 17.651 19.000 -0.191 0.000 0.799 308 A HN 0.273 nan 8.150 nan 0.000 0.458 309 G N -3.130 105.613 108.800 -0.095 0.000 2.192 309 G HA2 -0.178 3.782 3.960 0.001 0.000 0.193 309 G HA3 -0.178 3.782 3.960 0.001 0.000 0.193 309 G C -0.240 174.623 174.900 -0.061 0.000 0.999 309 G CA 0.003 45.061 45.100 -0.069 0.000 0.659 309 G HN 0.348 nan 8.290 nan 0.000 0.503 310 Y N 1.813 122.105 120.300 -0.014 0.000 2.676 310 Y HA 0.496 5.047 4.550 0.001 0.000 0.338 310 Y C 1.062 176.760 175.900 -0.337 0.000 1.057 310 Y CA -1.315 56.635 58.100 -0.250 0.000 1.314 310 Y CB 0.402 38.663 38.460 -0.331 0.000 1.164 310 Y HN 0.240 nan 8.280 nan 0.000 0.509 311 N N 1.039 119.679 118.700 -0.100 0.000 2.510 311 N HA -0.073 4.668 4.740 0.001 0.000 0.186 311 N C -0.760 174.644 175.510 -0.176 0.000 1.051 311 N CA 0.464 53.449 53.050 -0.108 0.000 0.877 311 N CB 0.664 39.167 38.487 0.027 0.000 1.183 311 N HN 0.476 nan 8.380 nan 0.000 0.443 312 D N -0.237 120.078 120.400 -0.142 0.000 2.358 312 D HA 0.127 4.768 4.640 0.001 0.000 0.253 312 D C 0.143 176.427 176.300 -0.026 0.000 1.288 312 D CA -0.549 53.414 54.000 -0.061 0.000 0.950 312 D CB 0.119 40.942 40.800 0.038 0.000 1.197 312 D HN 0.048 nan 8.370 nan 0.000 0.550 313 Y N 1.537 121.855 120.300 0.029 0.000 2.207 313 Y HA -0.196 4.354 4.550 0.001 0.000 0.287 313 Y C 2.606 178.512 175.900 0.011 0.000 1.156 313 Y CA 1.300 59.389 58.100 -0.018 0.000 1.182 313 Y CB 0.054 38.454 38.460 -0.100 0.000 0.979 313 Y HN 0.351 nan 8.280 nan 0.000 0.521 314 S N -1.030 114.784 115.700 0.188 0.000 2.368 314 S HA -0.254 4.216 4.470 0.001 0.000 0.225 314 S C 1.999 176.701 174.600 0.171 0.000 1.030 314 S CA 1.318 59.604 58.200 0.143 0.000 0.999 314 S CB -0.483 62.793 63.200 0.126 0.000 0.844 314 S HN 0.575 nan 8.310 nan 0.000 0.459 315 H N -0.327 118.793 119.070 0.082 0.000 2.395 315 H HA -0.010 4.547 4.556 0.001 0.000 0.299 315 H C 2.172 177.567 175.328 0.112 0.000 1.070 315 H CA 1.432 57.532 56.048 0.086 0.000 1.356 315 H CB -0.101 29.706 29.762 0.075 0.000 1.401 315 H HN 0.356 nan 8.280 nan 0.000 0.524 316 L N 1.010 122.332 121.223 0.164 0.000 2.017 316 L HA -0.153 4.188 4.340 0.001 0.000 0.208 316 L C 2.327 179.338 176.870 0.236 0.000 1.073 316 L CA 1.247 56.198 54.840 0.185 0.000 0.745 316 L CB -0.607 41.583 42.059 0.217 0.000 0.894 316 L HN 0.233 nan 8.230 nan 0.000 0.432 317 L N -0.817 120.497 121.223 0.152 0.000 2.191 317 L HA -0.190 4.150 4.340 0.001 0.000 0.212 317 L C 2.056 179.014 176.870 0.148 0.000 1.103 317 L CA 0.884 55.793 54.840 0.114 0.000 0.769 317 L CB -0.814 41.244 42.059 -0.001 0.000 0.908 317 L HN 0.298 nan 8.230 nan 0.000 0.438 318 D N 0.379 120.826 120.400 0.079 0.000 2.178 318 D HA -0.140 4.501 4.640 0.001 0.000 0.201 318 D C 2.228 178.549 176.300 0.034 0.000 0.980 318 D CA 1.387 55.406 54.000 0.031 0.000 0.842 318 D CB 0.111 40.885 40.800 -0.043 0.000 0.948 318 D HN 0.314 nan 8.370 nan 0.000 0.472 319 A N 0.236 123.081 122.820 0.042 0.000 1.902 319 A HA -0.150 4.171 4.320 0.001 0.000 0.217 319 A C 2.021 179.616 177.584 0.019 0.000 1.181 319 A CA 0.904 52.942 52.037 0.003 0.000 0.623 319 A CB -0.898 18.091 19.000 -0.020 0.000 0.818 319 A HN 0.112 nan 8.150 nan 0.000 0.443 320 F N 0.108 120.058 119.950 -0.000 0.000 2.102 320 F HA -0.131 4.397 4.527 0.001 0.000 0.298 320 F C 2.288 178.094 175.800 0.011 0.000 1.105 320 F CA 1.946 59.956 58.000 0.017 0.000 1.239 320 F CB -0.324 38.691 39.000 0.024 0.000 0.991 320 F HN 0.141 nan 8.300 nan 0.000 0.474 321 K N 0.854 121.370 120.400 0.194 0.000 2.032 321 K HA -0.180 4.140 4.320 0.001 0.000 0.209 321 K C 2.233 178.863 176.600 0.049 0.000 1.048 321 K CA 1.953 58.300 56.287 0.099 0.000 0.927 321 K CB -0.615 31.926 32.500 0.069 0.000 0.712 321 K HN 0.266 nan 8.250 nan 0.000 0.441 322 S N -0.549 115.168 115.700 0.029 0.000 2.402 322 S HA -0.027 4.444 4.470 0.001 0.000 0.229 322 S C 2.097 176.687 174.600 -0.016 0.000 1.021 322 S CA 0.817 59.016 58.200 -0.001 0.000 0.974 322 S CB -0.349 62.844 63.200 -0.011 0.000 0.800 322 S HN 0.324 nan 8.310 nan 0.000 0.484 323 A N 1.292 124.102 122.820 -0.017 0.000 2.208 323 A HA 0.290 4.611 4.320 0.001 0.000 0.209 323 A C 0.850 178.460 177.584 0.044 0.000 1.161 323 A CA 0.244 52.273 52.037 -0.013 0.000 0.782 323 A CB -0.589 18.361 19.000 -0.083 0.000 0.816 323 A HN 0.535 nan 8.150 nan 0.000 0.477 324 K N -1.176 119.248 120.400 0.039 0.000 3.239 324 K HA -0.140 4.180 4.320 0.001 0.000 0.270 324 K C -1.058 175.676 176.600 0.222 0.000 1.049 324 K CA 0.551 56.876 56.287 0.064 0.000 0.769 324 K CB -1.993 30.425 32.500 -0.136 0.000 1.305 324 K HN 0.504 nan 8.250 nan 0.000 0.469 325 L N 0.648 121.976 121.223 0.175 0.000 2.346 325 L HA 0.395 4.735 4.340 0.001 0.000 0.276 325 L C 0.320 177.327 176.870 0.229 0.000 1.006 325 L CA -1.184 53.760 54.840 0.173 0.000 0.817 325 L CB 1.543 43.660 42.059 0.098 0.000 1.272 325 L HN 0.012 nan 8.230 nan 0.000 0.421 326 D N 1.150 121.630 120.400 0.133 0.000 2.344 326 D HA 0.308 4.949 4.640 0.001 0.000 0.244 326 D C -0.522 175.870 176.300 0.153 0.000 1.134 326 D CA -0.039 54.018 54.000 0.094 0.000 0.930 326 D CB 2.369 43.168 40.800 -0.002 0.000 1.175 326 D HN 0.073 nan 8.370 nan 0.000 0.437 327 V N 0.886 120.835 119.914 0.058 0.000 2.581 327 V HA 0.498 4.619 4.120 0.001 0.000 0.303 327 V C -0.629 175.515 176.094 0.084 0.000 1.041 327 V CA -0.155 62.130 62.300 -0.026 0.000 0.907 327 V CB 1.947 33.562 31.823 -0.347 0.000 0.994 327 V HN 0.547 nan 8.190 nan 0.000 0.442 328 T N 7.224 121.883 114.554 0.174 0.000 2.807 328 T HA 0.573 4.923 4.350 0.001 0.000 0.279 328 T C -1.119 173.748 174.700 0.278 0.000 0.993 328 T CA -0.038 62.223 62.100 0.268 0.000 0.970 328 T CB 1.137 70.210 68.868 0.341 0.000 0.950 328 T HN 0.527 nan 8.240 nan 0.000 0.441 329 F N 1.412 121.449 119.950 0.146 0.000 2.575 329 F HA 0.755 5.282 4.527 0.001 0.000 0.330 329 F C 0.386 176.258 175.800 0.121 0.000 1.056 329 F CA -0.457 57.604 58.000 0.102 0.000 0.964 329 F CB 2.214 41.268 39.000 0.091 0.000 1.258 329 F HN 0.523 nan 8.300 nan 0.000 0.484 330 T N 0.123 114.322 114.554 -0.592 0.000 2.858 330 T HA 0.442 4.793 4.350 0.001 0.000 0.285 330 T C -0.426 174.096 174.700 -0.296 0.000 1.052 330 T CA 0.193 62.109 62.100 -0.306 0.000 1.009 330 T CB 0.831 69.559 68.868 -0.234 0.000 1.241 330 T HN 0.905 nan 8.240 nan 0.000 0.542 331 C N 0.689 119.921 119.300 -0.113 0.000 4.657 331 C HA -0.100 4.361 4.460 0.001 0.000 0.259 331 C C 1.914 176.879 174.990 -0.040 0.000 1.235 331 C CA 0.288 59.260 59.018 -0.077 0.000 1.733 331 C CB -2.957 24.724 27.740 -0.098 0.000 1.495 331 C HN 0.819 nan 8.230 nan 0.000 0.704 332 L N 1.335 122.553 121.223 -0.008 0.000 2.353 332 L HA -0.124 4.217 4.340 0.001 0.000 0.220 332 L C 2.516 179.328 176.870 -0.097 0.000 1.133 332 L CA 2.232 57.028 54.840 -0.074 0.000 0.798 332 L CB -0.502 41.461 42.059 -0.159 0.000 0.922 332 L HN 0.716 nan 8.230 nan 0.000 0.445 333 E N 0.299 120.471 120.200 -0.046 0.000 2.479 333 E HA 0.025 4.375 4.350 0.001 0.000 0.193 333 E C 0.678 177.236 176.600 -0.069 0.000 1.049 333 E CA 0.008 56.376 56.400 -0.053 0.000 0.870 333 E CB 0.199 29.901 29.700 0.003 0.000 0.944 333 E HN 0.416 nan 8.360 nan 0.000 0.492 334 M N 1.008 120.554 119.600 -0.089 0.000 2.573 334 M HA 0.309 4.790 4.480 0.001 0.000 0.309 334 M C 0.044 176.289 176.300 -0.093 0.000 1.202 334 M CA -0.520 54.714 55.300 -0.111 0.000 0.975 334 M CB 1.938 34.425 32.600 -0.189 0.000 1.600 334 M HN -0.094 nan 8.290 nan 0.000 0.479 335 T N -2.795 111.709 114.554 -0.082 0.000 2.924 335 T HA 0.454 4.805 4.350 0.001 0.000 0.291 335 T C -0.834 173.838 174.700 -0.047 0.000 1.045 335 T CA -1.192 60.875 62.100 -0.054 0.000 1.015 335 T CB 1.284 70.134 68.868 -0.031 0.000 1.103 335 T HN 0.405 nan 8.240 nan 0.000 0.496 336 D N 1.165 121.546 120.400 -0.031 0.000 2.399 336 D HA 0.309 4.949 4.640 0.001 0.000 0.241 336 D C 0.652 176.960 176.300 0.013 0.000 1.133 336 D CA -0.365 53.626 54.000 -0.014 0.000 0.890 336 D CB 1.129 41.921 40.800 -0.013 0.000 1.201 336 D HN 0.434 nan 8.370 nan 0.000 0.432 337 K N 0.150 120.574 120.400 0.039 0.000 2.537 337 K HA 0.204 4.525 4.320 0.001 0.000 0.216 337 K C 1.216 177.853 176.600 0.063 0.000 1.349 337 K CA 0.481 56.795 56.287 0.045 0.000 0.841 337 K CB -0.457 32.075 32.500 0.054 0.000 1.659 337 K HN 0.580 nan 8.250 nan 0.000 0.435 338 G N 2.885 111.744 108.800 0.098 0.000 2.179 338 G HA2 -0.263 3.698 3.960 0.001 0.000 0.257 338 G HA3 -0.263 3.698 3.960 0.001 0.000 0.257 338 G C 0.076 175.043 174.900 0.111 0.000 1.010 338 G CA 0.845 46.038 45.100 0.157 0.000 0.736 338 G HN 0.475 nan 8.290 nan 0.000 0.513 339 S N -1.084 114.595 115.700 -0.035 0.000 2.638 339 S HA 0.688 5.159 4.470 0.001 0.000 0.298 339 S C -0.088 174.213 174.600 -0.499 0.000 1.111 339 S CA -0.849 57.266 58.200 -0.142 0.000 1.027 339 S CB 2.111 65.282 63.200 -0.047 0.000 1.064 339 S HN 1.163 nan 8.310 nan 0.000 0.525 340 Y N 3.205 123.109 120.300 -0.659 0.000 2.497 340 Y HA 0.326 4.877 4.550 0.002 0.000 0.334 340 Y C -1.275 174.410 175.900 -0.357 0.000 1.199 340 Y CA -1.165 56.485 58.100 -0.750 0.000 1.425 340 Y CB 0.758 39.050 38.460 -0.281 0.000 1.291 340 Y HN 0.582 nan 8.280 nan 0.000 0.562 341 P HA 0.027 nan 4.420 nan 0.000 0.239 341 P C 0.225 177.165 177.300 -0.600 0.000 1.188 341 P CA 0.872 63.240 63.100 -1.221 0.000 0.794 341 P CB 0.527 31.574 31.700 -1.089 0.000 0.937 342 E N -0.385 119.553 120.200 -0.436 0.000 2.107 342 E HA -0.088 4.263 4.350 0.001 0.000 0.191 342 E C -0.078 176.564 176.600 0.071 0.000 0.982 342 E CA 0.390 56.675 56.400 -0.192 0.000 0.809 342 E CB -0.967 28.667 29.700 -0.110 0.000 0.756 342 E HN 0.201 nan 8.360 nan 0.000 0.459 343 Y N 0.387 120.733 120.300 0.076 0.000 3.168 343 Y HA -0.260 4.290 4.550 0.001 0.000 0.207 343 Y C 0.021 176.053 175.900 0.220 0.000 1.280 343 Y CA 0.333 58.515 58.100 0.137 0.000 1.235 343 Y CB -2.046 36.483 38.460 0.115 0.000 1.370 343 Y HN -0.081 nan 8.280 nan 0.000 0.537 344 S N 1.688 117.575 115.700 0.312 0.000 2.439 344 S HA 0.590 5.061 4.470 0.001 0.000 0.282 344 S C 0.284 175.019 174.600 0.224 0.000 1.170 344 S CA -0.697 57.740 58.200 0.394 0.000 1.054 344 S CB 0.233 63.723 63.200 0.482 0.000 0.956 344 S HN 0.320 nan 8.310 nan 0.000 0.490 345 M N 7.818 127.498 119.600 0.133 0.000 2.952 345 M HA 0.261 4.742 4.480 0.001 0.000 0.259 345 M C -2.122 174.071 176.300 -0.180 0.000 1.306 345 M CA -1.940 53.279 55.300 -0.134 0.000 0.626 345 M CB 0.948 33.269 32.600 -0.465 0.000 1.423 345 M HN 0.438 nan 8.290 nan 0.000 0.459 346 P HA -0.143 nan 4.420 nan 0.000 0.217 346 P C 1.344 178.606 177.300 -0.063 0.000 1.151 346 P CA 1.380 64.441 63.100 -0.064 0.000 0.828 346 P CB 0.419 31.944 31.700 -0.291 0.000 0.788 347 K N -0.392 119.953 120.400 -0.093 0.000 2.097 347 K HA -0.063 4.258 4.320 0.001 0.000 0.205 347 K C 2.010 178.543 176.600 -0.111 0.000 1.050 347 K CA 1.599 57.833 56.287 -0.089 0.000 0.938 347 K CB -0.422 32.036 32.500 -0.070 0.000 0.718 347 K HN -0.019 nan 8.250 nan 0.000 0.442 348 T N 1.792 116.264 114.554 -0.138 0.000 2.777 348 T HA -0.105 4.245 4.350 0.001 0.000 0.266 348 T C 1.689 176.300 174.700 -0.149 0.000 1.040 348 T CA 0.957 62.972 62.100 -0.141 0.000 1.141 348 T CB -0.118 68.630 68.868 -0.199 0.000 0.868 348 T HN 0.171 nan 8.240 nan 0.000 0.444 349 L N 1.021 122.130 121.223 -0.190 0.000 1.989 349 L HA -0.152 4.189 4.340 0.001 0.000 0.211 349 L C 2.561 179.315 176.870 -0.194 0.000 1.071 349 L CA 1.454 56.231 54.840 -0.105 0.000 0.749 349 L CB -0.456 41.642 42.059 0.065 0.000 0.890 349 L HN 0.151 nan 8.230 nan 0.000 0.431 350 V N -0.348 119.528 119.914 -0.063 0.000 2.287 350 V HA -0.358 3.762 4.120 0.001 0.000 0.248 350 V C 2.409 178.362 176.094 -0.235 0.000 1.053 350 V CA 2.024 64.269 62.300 -0.092 0.000 1.027 350 V CB -0.707 31.163 31.823 0.079 0.000 0.646 350 V HN 0.552 nan 8.190 nan 0.000 0.447 351 Q N -0.103 119.538 119.800 -0.264 0.000 2.124 351 Q HA -0.198 4.143 4.340 0.001 0.000 0.202 351 Q C 2.216 178.137 176.000 -0.130 0.000 0.977 351 Q CA 1.604 57.224 55.803 -0.306 0.000 0.850 351 Q CB -0.275 28.337 28.738 -0.210 0.000 0.901 351 Q HN 0.654 nan 8.270 nan 0.000 0.429 352 N N 0.519 119.132 118.700 -0.144 0.000 2.106 352 N HA -0.107 4.634 4.740 0.001 0.000 0.188 352 N C 1.715 177.088 175.510 -0.228 0.000 1.029 352 N CA 0.998 53.974 53.050 -0.124 0.000 0.848 352 N CB -0.161 38.272 38.487 -0.091 0.000 1.007 352 N HN 0.180 nan 8.380 nan 0.000 0.423 353 I N 1.331 121.640 120.570 -0.434 0.000 2.226 353 I HA -0.132 4.038 4.170 0.001 0.000 0.245 353 I C 2.287 178.185 176.117 -0.366 0.000 1.100 353 I CA 0.686 61.648 61.300 -0.564 0.000 1.374 353 I CB -1.571 35.763 38.000 -1.111 0.000 1.057 353 I HN 0.010 nan 8.210 nan 0.000 0.413 354 A N 0.736 123.384 122.820 -0.287 0.000 1.883 354 A HA -0.209 4.111 4.320 0.001 0.000 0.217 354 A C 2.450 179.977 177.584 -0.095 0.000 1.186 354 A CA 2.566 54.480 52.037 -0.206 0.000 0.624 354 A CB -1.166 17.794 19.000 -0.068 0.000 0.822 354 A HN 0.429 nan 8.150 nan 0.000 0.444 355 T N 0.605 115.149 114.554 -0.017 0.000 2.684 355 T HA -0.133 4.217 4.350 0.001 0.000 0.267 355 T C 1.829 176.515 174.700 -0.024 0.000 1.036 355 T CA 1.599 63.712 62.100 0.023 0.000 1.148 355 T CB -0.447 68.454 68.868 0.055 0.000 0.863 355 T HN 0.364 nan 8.240 nan 0.000 0.436 356 L N 0.687 121.875 121.223 -0.060 0.000 2.046 356 L HA -0.091 4.249 4.340 0.001 0.000 0.208 356 L C 3.072 179.905 176.870 -0.063 0.000 1.077 356 L CA 1.254 56.065 54.840 -0.050 0.000 0.747 356 L CB -0.708 41.315 42.059 -0.060 0.000 0.896 356 L HN 0.252 nan 8.230 nan 0.000 0.432 357 A N 0.215 122.967 122.820 -0.113 0.000 1.877 357 A HA -0.213 4.108 4.320 0.001 0.000 0.216 357 A C 2.067 179.602 177.584 -0.082 0.000 1.186 357 A CA 1.917 53.883 52.037 -0.118 0.000 0.620 357 A CB -0.602 18.285 19.000 -0.188 0.000 0.822 357 A HN 0.440 nan 8.150 nan 0.000 0.443 358 N N -0.352 118.299 118.700 -0.082 0.000 2.223 358 N HA -0.155 4.586 4.740 0.001 0.000 0.185 358 N C 1.720 177.216 175.510 -0.023 0.000 1.016 358 N CA 1.376 54.395 53.050 -0.052 0.000 0.863 358 N CB -0.314 38.148 38.487 -0.041 0.000 0.983 358 N HN 0.798 nan 8.380 nan 0.000 0.429 359 E N 1.312 121.503 120.200 -0.016 0.000 2.072 359 E HA -0.100 4.250 4.350 0.001 0.000 0.190 359 E C 0.963 177.564 176.600 0.002 0.000 0.982 359 E CA 0.938 57.339 56.400 0.001 0.000 0.803 359 E CB 0.152 29.857 29.700 0.008 0.000 0.755 359 E HN 0.256 nan 8.360 nan 0.000 0.453 360 K N -0.730 119.668 120.400 -0.004 0.000 2.459 360 K HA 0.092 4.413 4.320 0.001 0.000 0.193 360 K C 0.857 177.459 176.600 0.003 0.000 1.030 360 K CA 0.471 56.761 56.287 0.004 0.000 1.026 360 K CB 0.485 32.990 32.500 0.008 0.000 0.809 360 K HN 0.302 nan 8.250 nan 0.000 0.504 361 G N 2.142 110.938 108.800 -0.007 0.000 2.182 361 G HA2 -0.254 3.706 3.960 0.001 0.000 0.248 361 G HA3 -0.254 3.706 3.960 0.001 0.000 0.248 361 G C -0.056 174.841 174.900 -0.004 0.000 1.042 361 G CA -0.217 44.880 45.100 -0.005 0.000 0.775 361 G HN 0.241 nan 8.290 nan 0.000 0.501 362 I N 0.673 121.233 120.570 -0.016 0.000 2.331 362 I HA 0.289 4.460 4.170 0.001 0.000 0.292 362 I C 1.033 177.130 176.117 -0.032 0.000 0.998 362 I CA -1.083 60.211 61.300 -0.011 0.000 1.267 362 I CB 1.649 39.638 38.000 -0.019 0.000 1.386 362 I HN -0.114 nan 8.210 nan 0.000 0.476 363 V N 7.273 127.182 119.914 -0.008 0.000 2.493 363 V HA -0.025 4.096 4.120 0.001 0.000 0.292 363 V C 0.093 176.175 176.094 -0.020 0.000 1.016 363 V CA 0.084 62.379 62.300 -0.007 0.000 1.097 363 V CB 0.811 32.645 31.823 0.017 0.000 0.947 363 V HN 0.360 nan 8.190 nan 0.000 0.479 364 L N 6.481 127.670 121.223 -0.057 0.000 2.317 364 L HA 0.597 4.937 4.340 0.001 0.000 0.281 364 L C -0.249 176.681 176.870 0.100 0.000 1.024 364 L CA 0.240 55.021 54.840 -0.098 0.000 0.810 364 L CB 1.629 43.438 42.059 -0.417 0.000 1.240 364 L HN 0.729 nan 8.230 nan 0.000 0.427 365 N N 1.982 120.847 118.700 0.274 0.000 2.321 365 N HA 0.879 5.619 4.740 0.001 0.000 0.290 365 N C -0.906 174.977 175.510 0.621 0.000 1.212 365 N CA -0.586 52.751 53.050 0.477 0.000 0.767 365 N CB 2.095 40.792 38.487 0.352 0.000 1.494 365 N HN 0.737 nan 8.380 nan 0.000 0.479 366 G N -0.489 108.627 108.800 0.526 0.000 2.642 366 G HA2 0.705 4.666 3.960 0.001 0.000 0.293 366 G HA3 0.705 4.666 3.960 0.001 0.000 0.293 366 G C -1.438 173.542 174.900 0.134 0.000 1.341 366 G CA -0.433 44.867 45.100 0.333 0.000 0.916 366 G HN 0.485 nan 8.290 nan 0.000 0.474 367 E N -0.230 120.011 120.200 0.068 0.000 2.429 367 E HA 0.250 4.600 4.350 0.001 0.000 0.276 367 E C -0.941 175.715 176.600 0.094 0.000 0.953 367 E CA -1.083 55.245 56.400 -0.120 0.000 0.787 367 E CB 2.148 31.776 29.700 -0.121 0.000 1.307 367 E HN 0.620 nan 8.360 nan 0.000 0.458 368 N N 0.347 119.115 118.700 0.113 0.000 2.518 368 N HA 0.235 4.975 4.740 0.001 0.000 0.283 368 N C 0.139 175.680 175.510 0.051 0.000 1.119 368 N CA -0.129 53.027 53.050 0.175 0.000 0.983 368 N CB 1.687 40.341 38.487 0.278 0.000 1.139 368 N HN 0.532 nan 8.380 nan 0.000 0.465 369 A N 2.284 125.118 122.820 0.023 0.000 1.897 369 A HA 0.152 4.472 4.320 0.001 0.000 0.215 369 A C 0.941 178.531 177.584 0.009 0.000 1.181 369 A CA 0.683 52.723 52.037 0.005 0.000 0.620 369 A CB -0.165 18.835 19.000 0.000 0.000 0.821 369 A HN 0.670 nan 8.150 nan 0.000 0.443 370 L N -1.344 119.883 121.223 0.006 0.000 2.309 370 L HA 0.388 4.728 4.340 0.001 0.000 0.261 370 L C -0.167 176.717 176.870 0.022 0.000 1.021 370 L CA -0.953 53.887 54.840 0.001 0.000 0.823 370 L CB 1.963 44.004 42.059 -0.030 0.000 1.366 370 L HN -0.057 nan 8.230 nan 0.000 0.423 371 S N 1.344 117.057 115.700 0.021 0.000 2.563 371 S HA 0.222 4.692 4.470 0.001 0.000 0.294 371 S C -0.082 174.530 174.600 0.019 0.000 1.279 371 S CA -0.094 58.127 58.200 0.035 0.000 1.069 371 S CB -0.117 63.101 63.200 0.031 0.000 0.828 371 S HN 0.249 nan 8.310 nan 0.000 0.497 372 I N 2.869 123.459 120.570 0.033 0.000 2.312 372 I HA 0.240 4.411 4.170 0.001 0.000 0.291 372 I C 1.369 177.427 176.117 -0.098 0.000 1.031 372 I CA -0.221 61.048 61.300 -0.051 0.000 1.293 372 I CB 1.152 39.110 38.000 -0.070 0.000 1.403 372 I HN 0.838 nan 8.210 nan 0.000 0.484 373 G N 5.143 113.879 108.800 -0.108 0.000 2.887 373 G HA2 0.021 3.982 3.960 0.001 0.000 0.211 373 G HA3 0.021 3.982 3.960 0.001 0.000 0.211 373 G C 0.208 175.035 174.900 -0.121 0.000 1.152 373 G CA 0.016 45.067 45.100 -0.083 0.000 0.769 373 G HN 0.731 nan 8.290 nan 0.000 0.541 374 N N -1.811 116.764 118.700 -0.209 0.000 2.610 374 N HA 0.225 4.965 4.740 0.001 0.000 0.264 374 N C 0.809 176.127 175.510 -0.321 0.000 1.348 374 N CA -0.280 52.654 53.050 -0.194 0.000 0.819 374 N CB 0.852 39.280 38.487 -0.099 0.000 1.521 374 N HN 0.022 nan 8.380 nan 0.000 0.497 375 E N -0.511 119.585 120.200 -0.174 0.000 2.209 375 E HA -0.239 4.112 4.350 0.001 0.000 0.196 375 E C 0.619 177.192 176.600 -0.044 0.000 0.993 375 E CA 0.964 57.323 56.400 -0.069 0.000 0.819 375 E CB -0.131 29.616 29.700 0.078 0.000 0.745 375 E HN 0.556 nan 8.360 nan 0.000 0.477 376 E N 1.286 121.448 120.200 -0.063 0.000 2.160 376 E HA -0.191 4.159 4.350 0.001 0.000 0.195 376 E C 1.852 178.421 176.600 -0.051 0.000 0.991 376 E CA 1.301 57.678 56.400 -0.039 0.000 0.810 376 E CB -0.040 29.638 29.700 -0.037 0.000 0.742 376 E HN 0.586 nan 8.360 nan 0.000 0.466 377 E N -0.594 119.544 120.200 -0.104 0.000 2.152 377 E HA -0.141 4.210 4.350 0.001 0.000 0.192 377 E C 1.873 178.458 176.600 -0.026 0.000 0.983 377 E CA 0.481 56.827 56.400 -0.091 0.000 0.818 377 E CB -0.154 29.469 29.700 -0.128 0.000 0.758 377 E HN 0.281 nan 8.360 nan 0.000 0.467 378 Y N 1.637 121.901 120.300 -0.060 0.000 2.242 378 Y HA -0.094 4.456 4.550 0.001 0.000 0.291 378 Y C 2.060 177.851 175.900 -0.181 0.000 1.137 378 Y CA 0.597 58.625 58.100 -0.120 0.000 1.181 378 Y CB -0.271 38.146 38.460 -0.072 0.000 0.989 378 Y HN -0.078 nan 8.280 nan 0.000 0.527 379 K N -0.202 120.225 120.400 0.044 0.000 2.097 379 K HA -0.152 4.169 4.320 0.001 0.000 0.206 379 K C 2.212 178.773 176.600 -0.066 0.000 1.049 379 K CA 1.186 57.462 56.287 -0.018 0.000 0.933 379 K CB -0.139 32.364 32.500 0.005 0.000 0.717 379 K HN 0.267 nan 8.250 nan 0.000 0.442 380 R N 0.439 120.899 120.500 -0.067 0.000 2.075 380 R HA -0.067 4.274 4.340 0.001 0.000 0.232 380 R C 2.330 178.526 176.300 -0.173 0.000 1.126 380 R CA 1.004 57.051 56.100 -0.087 0.000 0.963 380 R CB -0.370 29.890 30.300 -0.068 0.000 0.858 380 R HN -0.013 nan 8.270 nan 0.000 0.435 381 V N 1.177 120.948 119.914 -0.238 0.000 2.332 381 V HA -0.270 3.850 4.120 0.001 0.000 0.248 381 V C 2.463 178.202 176.094 -0.592 0.000 1.055 381 V CA 2.039 64.072 62.300 -0.445 0.000 1.038 381 V CB -0.731 30.710 31.823 -0.636 0.000 0.651 381 V HN 0.414 nan 8.190 nan 0.000 0.450 382 A N -0.493 122.012 122.820 -0.525 0.000 1.902 382 A HA -0.288 4.033 4.320 0.001 0.000 0.217 382 A C 2.312 179.637 177.584 -0.432 0.000 1.181 382 A CA 2.040 53.700 52.037 -0.629 0.000 0.623 382 A CB -0.536 18.314 19.000 -0.250 0.000 0.818 382 A HN 0.643 nan 8.150 nan 0.000 0.443 383 E N -0.888 119.178 120.200 -0.225 0.000 2.058 383 E HA -0.220 4.131 4.350 0.001 0.000 0.194 383 E C 1.979 178.502 176.600 -0.128 0.000 0.997 383 E CA 1.613 57.936 56.400 -0.127 0.000 0.801 383 E CB -0.177 29.513 29.700 -0.017 0.000 0.746 383 E HN 0.478 nan 8.360 nan 0.000 0.450 384 M N 0.433 119.937 119.600 -0.160 0.000 2.099 384 M HA -0.055 4.426 4.480 0.001 0.000 0.262 384 M C 2.483 178.729 176.300 -0.090 0.000 1.067 384 M CA 1.474 56.721 55.300 -0.088 0.000 1.124 384 M CB -1.312 31.141 32.600 -0.245 0.000 1.353 384 M HN 0.214 nan 8.290 nan 0.000 0.410 385 A N -0.160 122.376 122.820 -0.474 0.000 1.877 385 A HA -0.122 4.199 4.320 0.001 0.000 0.216 385 A C 2.031 179.508 177.584 -0.179 0.000 1.186 385 A CA 1.418 53.175 52.037 -0.468 0.000 0.620 385 A CB -1.118 17.361 19.000 -0.869 0.000 0.822 385 A HN 0.471 nan 8.150 nan 0.000 0.443 386 F N -0.498 119.358 119.950 -0.156 0.000 2.710 386 F HA 0.023 4.550 4.527 0.001 0.000 0.298 386 F C 1.910 177.603 175.800 -0.179 0.000 1.137 386 F CA 0.247 58.124 58.000 -0.205 0.000 1.444 386 F CB 0.100 38.919 39.000 -0.303 0.000 1.111 386 F HN 0.229 nan 8.300 nan 0.000 0.580 387 N N -1.406 117.266 118.700 -0.046 0.000 2.250 387 N HA 0.018 4.759 4.740 0.001 0.000 0.190 387 N C 0.096 175.409 175.510 -0.327 0.000 1.116 387 N CA 0.441 53.302 53.050 -0.315 0.000 0.881 387 N CB 0.338 38.273 38.487 -0.920 0.000 1.006 387 N HN 0.281 nan 8.380 nan 0.000 0.491 388 Y N 0.568 120.910 120.300 0.069 0.000 2.696 388 Y HA 0.231 4.782 4.550 0.001 0.000 0.260 388 Y C 0.408 176.328 175.900 0.032 0.000 1.165 388 Y CA -0.571 57.595 58.100 0.110 0.000 1.189 388 Y CB -0.018 38.570 38.460 0.213 0.000 1.180 388 Y HN -0.098 nan 8.280 nan 0.000 0.538 389 N N -0.188 118.599 118.700 0.146 0.000 2.776 389 N HA -0.244 4.496 4.740 0.001 0.000 0.250 389 N C -0.906 174.655 175.510 0.085 0.000 1.112 389 N CA 0.197 53.297 53.050 0.083 0.000 0.733 389 N CB -1.749 36.737 38.487 -0.001 0.000 1.097 389 N HN 0.203 nan 8.380 nan 0.000 0.558 390 F N 0.040 120.072 119.950 0.137 0.000 2.538 390 F HA 0.286 4.814 4.527 0.001 0.000 0.371 390 F C 1.790 177.740 175.800 0.249 0.000 1.087 390 F CA 0.578 58.685 58.000 0.179 0.000 1.250 390 F CB 0.622 39.733 39.000 0.185 0.000 1.110 390 F HN 0.211 nan 8.300 nan 0.000 0.570 391 A N 2.892 125.910 122.820 0.330 0.000 2.218 391 A HA 0.509 4.830 4.320 0.001 0.000 0.209 391 A C 0.957 178.675 177.584 0.224 0.000 1.168 391 A CA 0.846 53.036 52.037 0.254 0.000 0.804 391 A CB -0.575 18.511 19.000 0.143 0.000 0.834 391 A HN 0.883 nan 8.150 nan 0.000 0.482 392 G N -1.832 107.163 108.800 0.325 0.000 2.616 392 G HA2 0.452 4.413 3.960 0.001 0.000 0.294 392 G HA3 0.452 4.413 3.960 0.001 0.000 0.294 392 G C -1.693 173.416 174.900 0.348 0.000 1.489 392 G CA -0.500 44.687 45.100 0.145 0.000 0.836 392 G HN 0.413 nan 8.290 nan 0.000 0.527 393 F N 1.303 121.286 119.950 0.055 0.000 2.539 393 F HA 0.738 5.266 4.527 0.001 0.000 0.318 393 F C -0.371 175.572 175.800 0.238 0.000 1.135 393 F CA -0.575 57.523 58.000 0.162 0.000 0.915 393 F CB 2.481 41.570 39.000 0.149 0.000 1.176 393 F HN 0.429 nan 8.300 nan 0.000 0.440 394 T N 7.402 121.602 114.554 -0.590 0.000 2.770 394 T HA 0.440 4.791 4.350 0.001 0.000 0.283 394 T C -1.027 173.239 174.700 -0.724 0.000 0.988 394 T CA -0.415 61.484 62.100 -0.335 0.000 0.957 394 T CB 1.173 69.987 68.868 -0.089 0.000 0.930 394 T HN 0.576 nan 8.240 nan 0.000 0.443 395 L N 4.722 125.755 121.223 -0.316 0.000 2.281 395 L HA 0.568 4.909 4.340 0.001 0.000 0.285 395 L C -0.651 176.167 176.870 -0.086 0.000 1.074 395 L CA -0.521 54.243 54.840 -0.127 0.000 0.817 395 L CB 0.549 42.686 42.059 0.130 0.000 1.168 395 L HN 0.643 nan 8.230 nan 0.000 0.434 396 L N 6.737 127.938 121.223 -0.037 0.000 2.265 396 L HA 0.617 4.958 4.340 0.001 0.000 0.289 396 L C -0.506 176.385 176.870 0.037 0.000 1.033 396 L CA -0.242 54.589 54.840 -0.015 0.000 0.814 396 L CB 0.350 42.399 42.059 -0.016 0.000 1.203 396 L HN 0.859 nan 8.230 nan 0.000 0.423 397 R N 2.902 123.420 120.500 0.030 0.000 2.739 397 R HA 0.141 4.481 4.340 0.001 0.000 0.271 397 R C 0.226 176.545 176.300 0.031 0.000 1.010 397 R CA -0.577 55.536 56.100 0.021 0.000 0.897 397 R CB 1.051 31.377 30.300 0.043 0.000 1.236 397 R HN 0.599 nan 8.270 nan 0.000 0.466 398 Y N 2.014 122.235 120.300 -0.132 0.000 1.987 398 Y HA -0.524 4.026 4.550 0.001 0.000 0.222 398 Y C 2.307 178.075 175.900 -0.220 0.000 1.222 398 Y CA 3.130 61.125 58.100 -0.175 0.000 1.007 398 Y CB -0.049 38.359 38.460 -0.087 0.000 0.811 398 Y HN 0.696 nan 8.280 nan 0.000 0.530 399 Q N -0.423 119.464 119.800 0.143 0.000 2.268 399 Q HA -0.238 4.103 4.340 0.001 0.000 0.210 399 Q C 1.538 177.479 176.000 -0.098 0.000 0.988 399 Q CA 1.939 57.703 55.803 -0.066 0.000 0.883 399 Q CB -0.817 28.060 28.738 0.233 0.000 0.911 399 Q HN 0.604 nan 8.270 nan 0.000 0.430 400 D N 1.237 121.627 120.400 -0.018 0.000 2.117 400 D HA -0.113 4.528 4.640 0.001 0.000 0.197 400 D C 2.144 178.455 176.300 0.019 0.000 0.987 400 D CA 2.084 56.101 54.000 0.028 0.000 0.829 400 D CB 0.010 40.843 40.800 0.056 0.000 0.961 400 D HN 0.420 nan 8.370 nan 0.000 0.460 401 V N -2.363 117.518 119.914 -0.056 0.000 3.431 401 V HA 0.136 4.257 4.120 0.001 0.000 0.253 401 V C 2.060 178.110 176.094 -0.073 0.000 1.184 401 V CA 0.180 62.471 62.300 -0.014 0.000 1.104 401 V CB -0.164 31.647 31.823 -0.019 0.000 0.799 401 V HN -0.087 nan 8.190 nan 0.000 0.462 402 M N 0.927 120.333 119.600 -0.323 0.000 2.175 402 M HA 0.049 4.529 4.480 0.001 0.000 0.264 402 M C 1.602 177.758 176.300 -0.240 0.000 1.063 402 M CA 1.866 56.902 55.300 -0.440 0.000 1.119 402 M CB -0.677 31.302 32.600 -1.036 0.000 1.377 402 M HN 0.533 nan 8.290 nan 0.000 0.415 403 Y N -1.744 118.595 120.300 0.065 0.000 2.607 403 Y HA 0.332 4.883 4.550 0.001 0.000 0.266 403 Y C 0.364 176.311 175.900 0.078 0.000 1.178 403 Y CA -0.831 57.309 58.100 0.066 0.000 1.226 403 Y CB 0.161 38.658 38.460 0.062 0.000 1.144 403 Y HN 0.093 nan 8.280 nan 0.000 0.528 404 N N 0.769 119.583 118.700 0.189 0.000 2.640 404 N HA 0.089 4.830 4.740 0.001 0.000 0.262 404 N C -0.529 175.096 175.510 0.191 0.000 1.174 404 N CA -0.079 53.072 53.050 0.168 0.000 0.791 404 N CB 0.325 38.897 38.487 0.141 0.000 1.279 404 N HN 0.109 nan 8.380 nan 0.000 0.535 405 N N 0.024 118.848 118.700 0.208 0.000 2.289 405 N HA -0.155 4.586 4.740 0.001 0.000 0.184 405 N C 1.734 177.375 175.510 0.218 0.000 1.016 405 N CA 1.513 54.723 53.050 0.268 0.000 0.872 405 N CB 0.198 38.834 38.487 0.248 0.000 0.973 405 N HN 0.641 nan 8.380 nan 0.000 0.433 406 S N 0.192 115.992 115.700 0.166 0.000 2.368 406 S HA -0.015 4.456 4.470 0.001 0.000 0.224 406 S C 1.867 176.569 174.600 0.170 0.000 1.029 406 S CA 0.564 58.851 58.200 0.145 0.000 0.988 406 S CB -0.571 62.695 63.200 0.110 0.000 0.838 406 S HN 0.228 nan 8.310 nan 0.000 0.462 407 L N -0.073 121.265 121.223 0.192 0.000 2.156 407 L HA 0.034 4.375 4.340 0.001 0.000 0.208 407 L C 2.797 179.859 176.870 0.321 0.000 1.095 407 L CA 1.361 56.367 54.840 0.277 0.000 0.770 407 L CB -0.444 41.765 42.059 0.251 0.000 0.914 407 L HN 0.379 nan 8.230 nan 0.000 0.439 408 M N 0.146 119.885 119.600 0.232 0.000 2.117 408 M HA -0.112 4.368 4.480 0.001 0.000 0.262 408 M C 1.991 178.365 176.300 0.122 0.000 1.065 408 M CA 2.134 57.535 55.300 0.167 0.000 1.114 408 M CB -0.915 31.774 32.600 0.149 0.000 1.361 408 M HN 0.104 nan 8.290 nan 0.000 0.408 409 G N -0.492 108.385 108.800 0.129 0.000 2.408 409 G HA2 -0.194 3.766 3.960 0.001 0.000 0.217 409 G HA3 -0.194 3.766 3.960 0.001 0.000 0.217 409 G C 1.650 176.588 174.900 0.064 0.000 1.150 409 G CA 0.800 45.946 45.100 0.077 0.000 0.776 409 G HN 0.516 nan 8.290 nan 0.000 0.542 410 K N -0.674 119.804 120.400 0.131 0.000 2.155 410 K HA 0.068 4.389 4.320 0.001 0.000 0.203 410 K C 2.031 178.627 176.600 -0.006 0.000 1.052 410 K CA 0.613 56.977 56.287 0.129 0.000 0.948 410 K CB -0.201 32.454 32.500 0.258 0.000 0.728 410 K HN 0.365 nan 8.250 nan 0.000 0.448 411 F N 2.365 122.188 119.950 -0.213 0.000 2.146 411 F HA -0.151 4.377 4.527 0.001 0.000 0.298 411 F C 2.264 177.835 175.800 -0.381 0.000 1.096 411 F CA 1.407 59.054 58.000 -0.588 0.000 1.275 411 F CB 0.028 38.719 39.000 -0.515 0.000 1.008 411 F HN -0.189 nan 8.300 nan 0.000 0.480 412 K N 0.292 120.634 120.400 -0.096 0.000 2.032 412 K HA -0.289 4.032 4.320 0.001 0.000 0.209 412 K C 1.940 178.395 176.600 -0.242 0.000 1.048 412 K CA 2.224 58.409 56.287 -0.171 0.000 0.927 412 K CB -0.628 31.802 32.500 -0.117 0.000 0.712 412 K HN 0.378 nan 8.250 nan 0.000 0.441 413 D N 0.243 120.536 120.400 -0.178 0.000 2.087 413 D HA -0.171 4.470 4.640 0.001 0.000 0.192 413 D C 2.025 178.203 176.300 -0.204 0.000 0.993 413 D CA 1.631 55.540 54.000 -0.152 0.000 0.828 413 D CB -0.045 40.706 40.800 -0.081 0.000 0.968 413 D HN 0.280 nan 8.370 nan 0.000 0.448 414 L N -0.845 120.225 121.223 -0.254 0.000 2.068 414 L HA 0.032 4.373 4.340 0.001 0.000 0.204 414 L C 2.218 178.912 176.870 -0.292 0.000 1.076 414 L CA 0.649 55.344 54.840 -0.242 0.000 0.753 414 L CB -0.128 41.809 42.059 -0.203 0.000 0.910 414 L HN 0.123 nan 8.230 nan 0.000 0.439 415 L N -1.400 119.438 121.223 -0.640 0.000 2.672 415 L HA 0.247 4.588 4.340 0.001 0.000 0.236 415 L C 1.571 178.110 176.870 -0.552 0.000 1.092 415 L CA 0.008 54.451 54.840 -0.661 0.000 0.887 415 L CB 0.086 41.456 42.059 -1.149 0.000 1.168 415 L HN 0.129 nan 8.230 nan 0.000 0.502 416 G N 1.582 109.970 108.800 -0.686 0.000 3.574 416 G HA2 0.355 4.315 3.960 0.001 0.000 0.262 416 G HA3 0.355 4.315 3.960 0.001 0.000 0.262 416 G C 0.198 174.996 174.900 -0.170 0.000 1.231 416 G CA -0.017 44.881 45.100 -0.337 0.000 1.608 416 G HN 0.035 nan 8.290 nan 0.000 0.628 417 V N -2.516 117.348 119.914 -0.084 0.000 2.837 417 V HA 0.787 4.908 4.120 0.001 0.000 0.310 417 V C -0.001 176.077 176.094 -0.027 0.000 1.059 417 V CA -0.738 61.498 62.300 -0.108 0.000 1.004 417 V CB 1.758 33.436 31.823 -0.243 0.000 1.045 417 V HN -0.007 nan 8.190 nan 0.000 0.465 418 T N 4.788 119.294 114.554 -0.080 0.000 2.772 418 T HA 0.491 4.841 4.350 0.001 0.000 0.288 418 T C -2.692 171.951 174.700 -0.094 0.000 0.994 418 T CA -0.865 61.200 62.100 -0.059 0.000 0.951 418 T CB 1.436 70.264 68.868 -0.067 0.000 0.933 418 T HN 0.805 nan 8.240 nan 0.000 0.447 419 P HA 0.326 nan 4.420 nan 0.000 0.282 419 P C -0.796 176.446 177.300 -0.096 0.000 1.262 419 P CA -0.342 62.695 63.100 -0.104 0.000 0.773 419 P CB 1.223 32.890 31.700 -0.055 0.000 0.879 420 V N 5.195 125.035 119.914 -0.122 0.000 2.735 420 V HA 0.424 4.545 4.120 0.001 0.000 0.310 420 V C -0.290 175.745 176.094 -0.099 0.000 1.061 420 V CA -1.364 60.872 62.300 -0.107 0.000 0.913 420 V CB 2.153 33.896 31.823 -0.133 0.000 1.005 420 V HN 0.503 nan 8.190 nan 0.000 0.428 421 M N 5.300 124.860 119.600 -0.067 0.000 2.211 421 M HA 0.469 4.949 4.480 0.001 0.000 0.356 421 M C -0.898 175.387 176.300 -0.024 0.000 1.216 421 M CA -0.036 55.237 55.300 -0.045 0.000 1.134 421 M CB 0.766 33.348 32.600 -0.030 0.000 1.564 421 M HN 0.697 nan 8.290 nan 0.000 0.463 422 Q N 2.532 122.338 119.800 0.009 0.000 2.421 422 Q HA 0.470 4.810 4.340 0.001 0.000 0.280 422 Q C -1.224 174.841 176.000 0.108 0.000 1.085 422 Q CA -0.555 55.307 55.803 0.099 0.000 0.807 422 Q CB 2.476 31.326 28.738 0.187 0.000 1.405 422 Q HN 0.615 nan 8.270 nan 0.000 0.419 423 T N 1.930 116.573 114.554 0.148 0.000 2.771 423 T HA 0.528 4.879 4.350 0.001 0.000 0.281 423 T C 0.043 174.806 174.700 0.106 0.000 0.982 423 T CA -0.445 61.712 62.100 0.095 0.000 0.978 423 T CB 0.464 69.374 68.868 0.071 0.000 0.930 423 T HN 0.242 nan 8.240 nan 0.000 0.447 424 I N 4.094 124.700 120.570 0.060 0.000 2.354 424 I HA 0.457 4.627 4.170 0.001 0.000 0.292 424 I C -0.269 175.901 176.117 0.089 0.000 0.989 424 I CA -0.858 60.469 61.300 0.044 0.000 1.188 424 I CB 1.473 39.435 38.000 -0.063 0.000 1.342 424 I HN 0.316 nan 8.210 nan 0.000 0.457 425 V N 7.015 127.002 119.914 0.122 0.000 2.531 425 V HA 0.505 4.625 4.120 0.001 0.000 0.301 425 V C -0.156 176.048 176.094 0.183 0.000 1.034 425 V CA -0.720 61.659 62.300 0.130 0.000 0.865 425 V CB 2.451 34.323 31.823 0.081 0.000 0.995 425 V HN 0.420 nan 8.190 nan 0.000 0.424 426 V N 4.998 125.047 119.914 0.226 0.000 2.444 426 V HA 0.540 4.661 4.120 0.001 0.000 0.294 426 V C -0.077 176.177 176.094 0.267 0.000 1.022 426 V CA -0.903 61.557 62.300 0.267 0.000 0.850 426 V CB 1.848 33.864 31.823 0.320 0.000 0.992 426 V HN 0.758 nan 8.190 nan 0.000 0.426 427 K N 2.962 123.501 120.400 0.231 0.000 2.123 427 K HA 0.462 4.783 4.320 0.001 0.000 0.248 427 K C 0.279 177.014 176.600 0.224 0.000 0.969 427 K CA -0.659 55.750 56.287 0.203 0.000 0.882 427 K CB 0.806 33.391 32.500 0.142 0.000 1.080 427 K HN 0.718 nan 8.250 nan 0.000 0.441 428 N N -0.554 118.252 118.700 0.176 0.000 2.727 428 N HA -0.159 4.582 4.740 0.001 0.000 0.249 428 N C -0.621 174.898 175.510 0.015 0.000 1.048 428 N CA 0.458 53.583 53.050 0.125 0.000 0.714 428 N CB -1.668 36.906 38.487 0.145 0.000 0.959 428 N HN 0.231 nan 8.380 nan 0.000 0.544 429 V N 1.833 121.709 119.914 -0.063 0.000 2.455 429 V HA 0.161 4.281 4.120 0.001 0.000 0.273 429 V C -1.095 174.680 176.094 -0.532 0.000 1.045 429 V CA -0.909 61.053 62.300 -0.563 0.000 0.976 429 V CB 1.136 32.650 31.823 -0.516 0.000 0.993 429 V HN 0.099 nan 8.190 nan 0.000 0.475 430 P HA 0.100 nan 4.420 nan 0.000 0.226 430 P C 0.291 177.376 177.300 -0.358 0.000 1.783 430 P CA -0.141 62.711 63.100 -0.414 0.000 0.980 430 P CB -0.492 31.004 31.700 -0.340 0.000 1.967 431 T N -1.708 112.664 114.554 -0.304 0.000 2.882 431 T HA 0.416 4.767 4.350 0.001 0.000 0.287 431 T C 0.257 174.883 174.700 -0.123 0.000 1.014 431 T CA -0.292 61.669 62.100 -0.231 0.000 1.049 431 T CB 1.482 70.245 68.868 -0.175 0.000 1.001 431 T HN 0.093 nan 8.240 nan 0.000 0.525 432 T N 0.219 114.715 114.554 -0.097 0.000 2.773 432 T HA 0.515 4.865 4.350 0.001 0.000 0.278 432 T C -0.226 174.448 174.700 -0.043 0.000 1.011 432 T CA -1.071 60.990 62.100 -0.064 0.000 1.014 432 T CB 0.600 69.435 68.868 -0.055 0.000 1.293 432 T HN 0.563 nan 8.240 nan 0.000 0.554 433 I N 2.042 122.591 120.570 -0.034 0.000 2.752 433 I HA 0.192 4.362 4.170 0.001 0.000 0.289 433 I C 1.877 177.988 176.117 -0.011 0.000 1.197 433 I CA 1.591 62.878 61.300 -0.021 0.000 1.432 433 I CB -0.227 37.762 38.000 -0.019 0.000 1.359 433 I HN 1.085 nan 8.210 nan 0.000 0.571 434 G N 5.086 113.888 108.800 0.005 0.000 2.179 434 G HA2 -0.220 3.741 3.960 0.001 0.000 0.260 434 G HA3 -0.220 3.741 3.960 0.001 0.000 0.260 434 G C 0.132 175.038 174.900 0.011 0.000 0.977 434 G CA -0.127 44.981 45.100 0.013 0.000 0.641 434 G HN 0.563 nan 8.290 nan 0.000 0.533 435 D N 1.458 121.854 120.400 -0.006 0.000 2.304 435 D HA 0.554 5.195 4.640 0.001 0.000 0.250 435 D C 0.829 177.090 176.300 -0.065 0.000 1.107 435 D CA 1.062 55.028 54.000 -0.058 0.000 0.885 435 D CB 1.304 42.028 40.800 -0.126 0.000 1.192 435 D HN 0.445 nan 8.370 nan 0.000 0.436 436 T N -1.690 112.781 114.554 -0.138 0.000 2.863 436 T HA 0.625 4.975 4.350 0.001 0.000 0.285 436 T C -0.253 174.136 174.700 -0.519 0.000 1.009 436 T CA -0.895 61.059 62.100 -0.244 0.000 0.989 436 T CB 1.296 70.106 68.868 -0.097 0.000 1.004 436 T HN 0.000 nan 8.240 nan 0.000 0.455 437 V N 2.798 122.154 119.914 -0.930 0.000 2.483 437 V HA 0.622 4.743 4.120 0.001 0.000 0.295 437 V C -1.126 174.522 176.094 -0.743 0.000 1.035 437 V CA -0.655 61.136 62.300 -0.848 0.000 0.896 437 V CB 0.801 31.917 31.823 -1.177 0.000 0.986 437 V HN 0.917 nan 8.190 nan 0.000 0.447 438 Y N 3.634 123.498 120.300 -0.727 0.000 2.638 438 Y HA 0.779 5.329 4.550 0.001 0.000 0.339 438 Y C 0.010 175.605 175.900 -0.509 0.000 1.084 438 Y CA -1.086 56.614 58.100 -0.666 0.000 1.068 438 Y CB 1.970 39.829 38.460 -1.002 0.000 1.294 438 Y HN 0.638 nan 8.280 nan 0.000 0.480 439 I N -1.355 119.222 120.570 0.012 0.000 2.828 439 I HA 0.924 5.094 4.170 0.001 0.000 0.302 439 I C -0.910 175.414 176.117 0.345 0.000 1.101 439 I CA -0.679 60.754 61.300 0.221 0.000 1.031 439 I CB 2.600 40.682 38.000 0.137 0.000 1.231 439 I HN 0.536 nan 8.210 nan 0.000 0.427 440 T N 2.121 116.955 114.554 0.466 0.000 2.894 440 T HA 0.826 5.176 4.350 0.001 0.000 0.309 440 T C -0.672 174.039 174.700 0.018 0.000 1.208 440 T CA -0.158 62.139 62.100 0.328 0.000 1.016 440 T CB 1.742 70.933 68.868 0.538 0.000 1.192 440 T HN 1.249 nan 8.240 nan 0.000 0.491 441 G N 1.791 110.336 108.800 -0.424 0.000 2.727 441 G HA2 0.423 4.384 3.960 0.001 0.000 0.289 441 G HA3 0.423 4.384 3.960 0.001 0.000 0.289 441 G C 0.619 174.660 174.900 -1.432 0.000 1.418 441 G CA -0.225 44.246 45.100 -1.047 0.000 0.818 441 G HN 0.690 nan 8.290 nan 0.000 0.486 442 N N -0.379 117.599 118.700 -1.203 0.000 2.166 442 N HA -0.088 4.653 4.740 0.001 0.000 0.186 442 N C 0.790 176.119 175.510 -0.301 0.000 1.019 442 N CA 0.797 53.464 53.050 -0.637 0.000 0.856 442 N CB -0.159 38.301 38.487 -0.045 0.000 0.993 442 N HN 0.453 nan 8.380 nan 0.000 0.426 443 R N -0.406 119.944 120.500 -0.249 0.000 2.560 443 R HA 0.441 4.782 4.340 0.001 0.000 0.270 443 R C 1.227 177.439 176.300 -0.146 0.000 1.074 443 R CA 0.142 56.146 56.100 -0.160 0.000 1.140 443 R CB 0.572 30.775 30.300 -0.163 0.000 1.073 443 R HN 0.213 nan 8.270 nan 0.000 0.527 444 A N 2.079 124.855 122.820 -0.074 0.000 2.024 444 A HA -0.205 4.116 4.320 0.001 0.000 0.220 444 A C 1.592 179.143 177.584 -0.055 0.000 1.164 444 A CA 1.613 53.635 52.037 -0.024 0.000 0.643 444 A CB -0.293 18.748 19.000 0.069 0.000 0.806 444 A HN 0.805 nan 8.150 nan 0.000 0.451 445 E N -0.692 119.407 120.200 -0.168 0.000 2.338 445 E HA -0.004 4.346 4.350 0.001 0.000 0.197 445 E C 1.086 177.565 176.600 -0.202 0.000 1.007 445 E CA 0.651 56.876 56.400 -0.292 0.000 0.849 445 E CB -0.111 29.279 29.700 -0.516 0.000 0.774 445 E HN 0.631 nan 8.360 nan 0.000 0.506 446 L N -1.331 119.787 121.223 -0.176 0.000 2.857 446 L HA 0.336 4.677 4.340 0.001 0.000 0.249 446 L C 1.116 177.937 176.870 -0.081 0.000 1.172 446 L CA 0.135 54.886 54.840 -0.148 0.000 0.980 446 L CB 0.676 42.612 42.059 -0.205 0.000 1.299 446 L HN 0.248 nan 8.230 nan 0.000 0.535 447 G N -0.984 107.783 108.800 -0.056 0.000 2.176 447 G HA2 -0.326 3.635 3.960 0.001 0.000 0.253 447 G HA3 -0.326 3.635 3.960 0.001 0.000 0.253 447 G C 0.607 175.588 174.900 0.135 0.000 0.979 447 G CA 0.120 45.268 45.100 0.079 0.000 0.641 447 G HN 0.225 nan 8.290 nan 0.000 0.530 448 S N -1.888 113.797 115.700 -0.025 0.000 3.631 448 S HA -0.286 4.185 4.470 0.001 0.000 0.366 448 S C 1.079 175.775 174.600 0.160 0.000 0.993 448 S CA 1.705 59.898 58.200 -0.011 0.000 1.167 448 S CB -2.074 61.189 63.200 0.106 0.000 0.909 448 S HN 1.856 nan 8.310 nan 0.000 0.478 449 W N -2.040 119.340 121.300 0.133 0.000 2.589 449 W HA -0.248 4.412 4.660 0.001 0.000 0.272 449 W C 0.304 176.897 176.519 0.123 0.000 1.060 449 W CA 0.477 57.897 57.345 0.125 0.000 0.533 449 W CB -1.631 27.855 29.460 0.044 0.000 2.084 449 W HN 0.612 nan 8.180 nan 0.000 1.371 450 D N 0.307 120.891 120.400 0.306 0.000 2.350 450 D HA 0.329 4.970 4.640 0.001 0.000 0.249 450 D C 1.354 177.733 176.300 0.131 0.000 1.119 450 D CA 1.316 55.423 54.000 0.179 0.000 0.886 450 D CB 1.095 41.971 40.800 0.126 0.000 1.195 450 D HN 0.071 nan 8.370 nan 0.000 0.437 451 T N -0.130 114.417 114.554 -0.012 0.000 2.975 451 T HA 0.134 4.485 4.350 0.001 0.000 0.257 451 T C 1.331 175.959 174.700 -0.119 0.000 1.003 451 T CA -0.319 61.684 62.100 -0.162 0.000 0.932 451 T CB 0.213 68.751 68.868 -0.550 0.000 1.087 451 T HN 0.145 nan 8.240 nan 0.000 0.512 452 K N 2.148 122.483 120.400 -0.108 0.000 1.995 452 K HA 0.030 4.351 4.320 0.001 0.000 0.207 452 K C 2.329 178.856 176.600 -0.122 0.000 1.041 452 K CA 1.685 57.901 56.287 -0.118 0.000 0.942 452 K CB -0.187 32.242 32.500 -0.119 0.000 0.731 452 K HN 0.730 nan 8.250 nan 0.000 0.439 453 Q N -1.895 117.798 119.800 -0.178 0.000 2.245 453 Q HA 0.118 4.458 4.340 0.001 0.000 0.250 453 Q C 0.858 176.863 176.000 0.008 0.000 0.830 453 Q CA 0.060 55.772 55.803 -0.152 0.000 0.950 453 Q CB 0.274 28.867 28.738 -0.243 0.000 1.124 453 Q HN 0.114 nan 8.270 nan 0.000 0.502 454 Y N 1.805 122.106 120.300 0.001 0.000 2.449 454 Y HA 0.374 4.925 4.550 0.001 0.000 0.254 454 Y C -1.800 174.133 175.900 0.055 0.000 1.140 454 Y CA -2.442 55.661 58.100 0.004 0.000 1.272 454 Y CB -0.577 37.889 38.460 0.010 0.000 1.114 454 Y HN 0.122 nan 8.280 nan 0.000 0.525 455 P HA 0.045 nan 4.420 nan 0.000 0.269 455 P C -0.324 177.149 177.300 0.289 0.000 1.215 455 P CA 0.279 63.549 63.100 0.283 0.000 0.780 455 P CB 1.527 33.430 31.700 0.338 0.000 0.898 456 I N 1.559 122.272 120.570 0.239 0.000 2.331 456 I HA 0.234 4.404 4.170 0.001 0.000 0.292 456 I C 1.064 177.218 176.117 0.061 0.000 0.998 456 I CA -0.290 61.093 61.300 0.139 0.000 1.267 456 I CB 0.831 38.854 38.000 0.039 0.000 1.386 456 I HN 0.331 nan 8.210 nan 0.000 0.476 457 Q N 5.738 125.471 119.800 -0.110 0.000 2.293 457 Q HA 0.525 4.866 4.340 0.001 0.000 0.251 457 Q C -1.221 174.512 176.000 -0.446 0.000 0.930 457 Q CA -0.387 55.041 55.803 -0.624 0.000 0.893 457 Q CB 0.952 29.233 28.738 -0.760 0.000 1.215 457 Q HN 0.576 nan 8.270 nan 0.000 0.425 458 L N 3.039 123.977 121.223 -0.475 0.000 2.334 458 L HA 0.504 4.845 4.340 0.001 0.000 0.270 458 L C -1.096 175.667 176.870 -0.179 0.000 1.018 458 L CA -1.071 53.690 54.840 -0.131 0.000 0.811 458 L CB 1.088 43.198 42.059 0.085 0.000 1.271 458 L HN 0.674 nan 8.230 nan 0.000 0.443 459 Y N -0.618 119.768 120.300 0.144 0.000 2.446 459 Y HA 0.301 4.851 4.550 0.001 0.000 0.345 459 Y C -0.306 175.411 175.900 -0.306 0.000 0.984 459 Y CA -0.650 57.438 58.100 -0.020 0.000 1.058 459 Y CB 1.460 39.868 38.460 -0.087 0.000 1.220 459 Y HN 0.282 nan 8.280 nan 0.000 0.455 460 Y N 2.953 122.749 120.300 -0.839 0.000 2.526 460 Y HA 0.108 4.659 4.550 0.001 0.000 0.330 460 Y C -0.015 175.590 175.900 -0.492 0.000 1.156 460 Y CA -0.332 57.067 58.100 -1.168 0.000 1.419 460 Y CB 0.465 38.063 38.460 -1.436 0.000 1.250 460 Y HN 0.549 nan 8.280 nan 0.000 0.540 461 D N 3.930 123.648 120.400 -1.136 0.000 2.467 461 D HA 0.090 4.731 4.640 0.001 0.000 0.220 461 D C 0.736 176.437 176.300 -0.999 0.000 1.103 461 D CA 0.132 53.676 54.000 -0.759 0.000 0.886 461 D CB 0.906 41.442 40.800 -0.441 0.000 1.025 461 D HN 0.723 nan 8.370 nan 0.000 0.514 462 S N 2.750 118.073 115.700 -0.629 0.000 2.419 462 S HA -0.178 4.292 4.470 0.001 0.000 0.233 462 S C 1.496 176.078 174.600 -0.029 0.000 1.016 462 S CA 0.871 58.935 58.200 -0.227 0.000 0.974 462 S CB -0.453 62.799 63.200 0.087 0.000 0.786 462 S HN 0.647 nan 8.310 nan 0.000 0.492 463 H N 0.731 119.666 119.070 -0.226 0.000 2.482 463 H HA 0.189 4.746 4.556 0.001 0.000 0.286 463 H C 1.425 176.673 175.328 -0.133 0.000 1.017 463 H CA 1.047 57.012 56.048 -0.140 0.000 1.322 463 H CB 0.184 29.877 29.762 -0.115 0.000 1.426 463 H HN 0.470 nan 8.280 nan 0.000 0.546 464 S N 0.325 115.987 115.700 -0.064 0.000 2.523 464 S HA -0.042 4.429 4.470 0.001 0.000 0.217 464 S C 0.485 175.033 174.600 -0.087 0.000 0.996 464 S CA -0.090 58.067 58.200 -0.072 0.000 0.921 464 S CB 0.197 63.347 63.200 -0.083 0.000 0.829 464 S HN 0.437 nan 8.310 nan 0.000 0.495 465 N N 2.540 121.135 118.700 -0.174 0.000 2.727 465 N HA -0.170 4.571 4.740 0.001 0.000 0.251 465 N C -1.334 174.194 175.510 0.030 0.000 1.040 465 N CA 1.212 54.239 53.050 -0.038 0.000 0.712 465 N CB -1.426 37.115 38.487 0.090 0.000 0.912 465 N HN 0.655 nan 8.380 nan 0.000 0.545 466 D N -1.938 118.366 120.400 -0.159 0.000 2.665 466 D HA 0.572 5.213 4.640 0.001 0.000 0.287 466 D C -1.166 175.105 176.300 -0.047 0.000 1.266 466 D CA -0.625 53.410 54.000 0.059 0.000 0.830 466 D CB -0.138 40.706 40.800 0.073 0.000 1.356 466 D HN 0.128 nan 8.370 nan 0.000 0.437 467 W N 0.290 121.628 121.300 0.063 0.000 2.475 467 W HA 0.660 5.321 4.660 0.001 0.000 0.317 467 W C 0.433 176.970 176.519 0.029 0.000 1.046 467 W CA -0.473 56.905 57.345 0.056 0.000 1.215 467 W CB 1.572 31.068 29.460 0.059 0.000 1.335 467 W HN 0.576 nan 8.180 nan 0.000 0.471 468 R N 2.083 122.699 120.500 0.193 0.000 2.795 468 R HA 0.993 5.334 4.340 0.001 0.000 0.268 468 R C -0.614 175.767 176.300 0.136 0.000 1.041 468 R CA -1.373 54.805 56.100 0.131 0.000 0.927 468 R CB 1.692 32.026 30.300 0.056 0.000 1.235 468 R HN 0.605 nan 8.270 nan 0.000 0.463 469 G N 0.004 108.863 108.800 0.099 0.000 2.556 469 G HA2 0.247 4.208 3.960 0.001 0.000 0.294 469 G HA3 0.247 4.208 3.960 0.001 0.000 0.294 469 G C -1.897 173.034 174.900 0.053 0.000 1.516 469 G CA -1.125 44.040 45.100 0.108 0.000 0.824 469 G HN 0.568 nan 8.290 nan 0.000 0.535 470 N N 0.195 118.914 118.700 0.033 0.000 2.437 470 N HA 0.450 5.191 4.740 0.001 0.000 0.243 470 N C -0.254 175.259 175.510 0.005 0.000 1.041 470 N CA -0.387 52.671 53.050 0.012 0.000 0.940 470 N CB 1.912 40.395 38.487 -0.008 0.000 1.133 470 N HN 0.267 nan 8.380 nan 0.000 0.506 471 V N 2.465 122.375 119.914 -0.006 0.000 2.547 471 V HA 0.311 4.431 4.120 0.001 0.000 0.299 471 V C 0.320 176.384 176.094 -0.051 0.000 1.040 471 V CA -0.877 61.403 62.300 -0.034 0.000 0.913 471 V CB 1.931 33.712 31.823 -0.070 0.000 0.992 471 V HN 0.233 nan 8.190 nan 0.000 0.449 472 V N 5.872 125.744 119.914 -0.070 0.000 2.406 472 V HA 0.398 4.518 4.120 0.001 0.000 0.272 472 V C -0.185 175.821 176.094 -0.145 0.000 1.043 472 V CA -0.268 61.976 62.300 -0.094 0.000 0.915 472 V CB 1.053 32.827 31.823 -0.082 0.000 0.988 472 V HN 0.470 nan 8.190 nan 0.000 0.466 473 L N 7.146 128.270 121.223 -0.164 0.000 2.301 473 L HA 0.679 5.020 4.340 0.001 0.000 0.264 473 L C -2.456 174.263 176.870 -0.252 0.000 1.016 473 L CA -2.510 52.202 54.840 -0.213 0.000 0.821 473 L CB 2.302 44.254 42.059 -0.179 0.000 1.346 473 L HN 0.363 nan 8.230 nan 0.000 0.429 474 P HA 0.210 nan 4.420 nan 0.000 0.281 474 P C -0.792 176.361 177.300 -0.244 0.000 1.286 474 P CA -0.367 62.553 63.100 -0.300 0.000 0.772 474 P CB 0.867 32.353 31.700 -0.357 0.000 0.862 475 A N 3.980 126.672 122.820 -0.214 0.000 2.498 475 A HA 0.071 4.392 4.320 0.001 0.000 0.239 475 A C 0.873 178.347 177.584 -0.184 0.000 1.068 475 A CA 0.015 51.929 52.037 -0.206 0.000 0.766 475 A CB -0.715 18.186 19.000 -0.164 0.000 1.003 475 A HN 0.700 nan 8.150 nan 0.000 0.497 476 E N -0.697 119.389 120.200 -0.191 0.000 2.791 476 E HA -0.179 4.172 4.350 0.001 0.000 0.271 476 E C -0.378 176.146 176.600 -0.126 0.000 1.044 476 E CA 0.682 56.994 56.400 -0.147 0.000 0.814 476 E CB -0.932 28.701 29.700 -0.112 0.000 1.400 476 E HN 0.605 nan 8.360 nan 0.000 0.423 477 R N 0.409 120.824 120.500 -0.142 0.000 2.711 477 R HA 0.396 4.737 4.340 0.001 0.000 0.284 477 R C -0.193 176.064 176.300 -0.072 0.000 0.968 477 R CA -1.100 54.934 56.100 -0.110 0.000 0.924 477 R CB 0.869 31.085 30.300 -0.140 0.000 1.162 477 R HN -0.057 nan 8.270 nan 0.000 0.465 478 N N 1.943 120.625 118.700 -0.030 0.000 2.458 478 N HA 0.320 5.060 4.740 0.001 0.000 0.270 478 N C -0.143 175.388 175.510 0.034 0.000 1.102 478 N CA -0.158 52.906 53.050 0.024 0.000 0.967 478 N CB 0.606 39.112 38.487 0.032 0.000 1.078 478 N HN 0.459 nan 8.380 nan 0.000 0.471 479 I N -2.003 118.625 120.570 0.097 0.000 2.785 479 I HA 0.645 4.816 4.170 0.001 0.000 0.302 479 I C -0.516 175.699 176.117 0.164 0.000 1.069 479 I CA -0.820 60.540 61.300 0.101 0.000 1.045 479 I CB 2.467 40.531 38.000 0.105 0.000 1.236 479 I HN 0.186 nan 8.210 nan 0.000 0.429 480 E N 3.975 124.245 120.200 0.117 0.000 2.256 480 E HA 0.628 4.978 4.350 0.001 0.000 0.268 480 E C -1.695 174.959 176.600 0.089 0.000 0.877 480 E CA -0.600 55.871 56.400 0.118 0.000 0.757 480 E CB 2.651 32.460 29.700 0.183 0.000 1.183 480 E HN 0.600 nan 8.360 nan 0.000 0.418 481 F N -0.042 119.918 119.950 0.016 0.000 2.711 481 F HA 0.700 5.227 4.527 0.001 0.000 0.313 481 F C -1.413 174.526 175.800 0.233 0.000 1.141 481 F CA -1.030 56.967 58.000 -0.006 0.000 0.941 481 F CB 1.622 40.573 39.000 -0.082 0.000 1.349 481 F HN 0.097 nan 8.300 nan 0.000 0.464 482 K N 1.203 121.918 120.400 0.525 0.000 2.523 482 K HA 0.766 5.087 4.320 0.001 0.000 0.257 482 K C -1.284 175.691 176.600 0.625 0.000 0.932 482 K CA -0.989 55.568 56.287 0.450 0.000 0.812 482 K CB 2.558 35.357 32.500 0.498 0.000 1.326 482 K HN 1.019 nan 8.250 nan 0.000 0.433 483 A N 2.327 125.406 122.820 0.432 0.000 2.286 483 A HA 0.814 5.135 4.320 0.001 0.000 0.286 483 A C -0.834 176.990 177.584 0.400 0.000 1.097 483 A CA -0.289 51.973 52.037 0.375 0.000 0.821 483 A CB 0.036 19.238 19.000 0.337 0.000 1.076 483 A HN 0.625 nan 8.150 nan 0.000 0.490 484 F N -1.250 118.780 119.950 0.134 0.000 2.668 484 F HA 0.746 5.274 4.527 0.001 0.000 0.309 484 F C -1.273 174.524 175.800 -0.004 0.000 1.117 484 F CA -1.265 56.688 58.000 -0.078 0.000 0.951 484 F CB 0.987 39.442 39.000 -0.909 0.000 1.323 484 F HN 0.387 nan 8.300 nan 0.000 0.451 485 I N 2.497 123.151 120.570 0.139 0.000 2.392 485 I HA 0.411 4.581 4.170 0.001 0.000 0.295 485 I C -0.461 175.670 176.117 0.023 0.000 0.985 485 I CA -0.768 60.486 61.300 -0.076 0.000 1.221 485 I CB 1.892 39.810 38.000 -0.136 0.000 1.366 485 I HN 0.585 nan 8.210 nan 0.000 0.467 486 K N 4.307 124.702 120.400 -0.007 0.000 2.244 486 K HA 0.398 4.718 4.320 0.001 0.000 0.260 486 K C -0.074 176.527 176.600 0.002 0.000 0.951 486 K CA -0.478 55.833 56.287 0.039 0.000 0.826 486 K CB 1.797 34.334 32.500 0.062 0.000 1.108 486 K HN 0.786 nan 8.250 nan 0.000 0.433 487 S N 2.033 117.730 115.700 -0.004 0.000 2.633 487 S HA 0.110 4.580 4.470 0.001 0.000 0.257 487 S C 1.053 175.656 174.600 0.004 0.000 1.265 487 S CA -0.349 57.845 58.200 -0.010 0.000 0.980 487 S CB 0.765 63.959 63.200 -0.009 0.000 1.017 487 S HN 0.590 nan 8.310 nan 0.000 0.577 488 K N 0.689 121.090 120.400 0.003 0.000 2.160 488 K HA -0.153 4.168 4.320 0.001 0.000 0.206 488 K C 0.555 177.164 176.600 0.015 0.000 1.047 488 K CA 1.881 58.175 56.287 0.012 0.000 0.930 488 K CB -0.574 31.931 32.500 0.008 0.000 0.720 488 K HN 0.854 nan 8.250 nan 0.000 0.450 489 D N -1.147 119.258 120.400 0.008 0.000 2.561 489 D HA 0.159 4.800 4.640 0.001 0.000 0.232 489 D C 0.674 176.974 176.300 0.001 0.000 1.198 489 D CA 0.099 54.103 54.000 0.007 0.000 0.826 489 D CB 0.398 41.200 40.800 0.004 0.000 0.992 489 D HN 0.196 nan 8.370 nan 0.000 0.490 490 G N -0.205 108.597 108.800 0.003 0.000 2.175 490 G HA2 -0.316 3.644 3.960 0.001 0.000 0.265 490 G HA3 -0.316 3.644 3.960 0.001 0.000 0.265 490 G C 0.425 175.308 174.900 -0.029 0.000 0.979 490 G CA 0.622 45.713 45.100 -0.014 0.000 0.663 490 G HN 0.468 nan 8.290 nan 0.000 0.533 491 T N 0.774 115.317 114.554 -0.019 0.000 2.817 491 T HA 0.456 4.806 4.350 0.001 0.000 0.293 491 T C 0.742 175.425 174.700 -0.030 0.000 0.964 491 T CA -0.336 61.748 62.100 -0.027 0.000 1.085 491 T CB 2.035 70.894 68.868 -0.016 0.000 0.921 491 T HN 0.348 nan 8.240 nan 0.000 0.502 492 V N 5.194 125.071 119.914 -0.062 0.000 2.450 492 V HA 0.066 4.187 4.120 0.001 0.000 0.281 492 V C 1.593 177.654 176.094 -0.055 0.000 1.019 492 V CA 0.296 62.539 62.300 -0.096 0.000 1.062 492 V CB 0.477 32.138 31.823 -0.270 0.000 0.979 492 V HN 0.855 nan 8.190 nan 0.000 0.477 493 K N 3.773 124.159 120.400 -0.022 0.000 2.128 493 K HA 0.062 4.382 4.320 0.001 0.000 0.202 493 K C 0.669 177.299 176.600 0.050 0.000 1.050 493 K CA 1.123 57.415 56.287 0.009 0.000 0.966 493 K CB 0.372 32.873 32.500 0.002 0.000 0.759 493 K HN 0.824 nan 8.250 nan 0.000 0.454 494 S N -2.023 113.715 115.700 0.063 0.000 2.615 494 S HA 0.411 4.881 4.470 0.001 0.000 0.268 494 S C -1.795 172.901 174.600 0.161 0.000 1.146 494 S CA -1.194 57.117 58.200 0.186 0.000 0.818 494 S CB 0.412 63.815 63.200 0.339 0.000 1.111 494 S HN 0.264 nan 8.310 nan 0.000 0.465 495 W N 1.004 122.382 121.300 0.130 0.000 2.706 495 W HA 0.612 5.272 4.660 0.001 0.000 0.346 495 W C 0.144 176.263 176.519 -0.667 0.000 1.071 495 W CA -0.584 56.707 57.345 -0.091 0.000 1.206 495 W CB 1.525 30.924 29.460 -0.102 0.000 1.413 495 W HN 0.942 nan 8.180 nan 0.000 0.542 496 Q N 1.054 120.471 119.800 -0.638 0.000 2.330 496 Q HA 0.022 4.363 4.340 0.001 0.000 0.279 496 Q C 0.844 176.514 176.000 -0.550 0.000 1.024 496 Q CA 0.814 55.945 55.803 -1.120 0.000 0.900 496 Q CB 1.177 29.619 28.738 -0.492 0.000 1.221 496 Q HN 0.668 nan 8.270 nan 0.000 0.396 497 T N 3.951 118.168 114.554 -0.562 0.000 2.622 497 T HA -0.062 4.289 4.350 0.001 0.000 0.266 497 T C 0.699 175.280 174.700 -0.198 0.000 1.047 497 T CA 0.795 62.727 62.100 -0.280 0.000 1.159 497 T CB 0.100 68.852 68.868 -0.193 0.000 0.863 497 T HN 0.479 nan 8.240 nan 0.000 0.422 498 I N 1.763 122.226 120.570 -0.177 0.000 2.392 498 I HA 0.312 4.482 4.170 0.001 0.000 0.295 498 I C 0.292 176.318 176.117 -0.152 0.000 0.985 498 I CA -0.962 60.254 61.300 -0.139 0.000 1.221 498 I CB 1.091 39.031 38.000 -0.101 0.000 1.366 498 I HN 0.280 nan 8.210 nan 0.000 0.467 499 Q N 5.204 124.917 119.800 -0.145 0.000 2.313 499 Q HA 0.098 4.438 4.340 0.001 0.000 0.266 499 Q C -0.683 175.197 176.000 -0.200 0.000 0.989 499 Q CA -0.338 55.379 55.803 -0.142 0.000 0.890 499 Q CB 0.862 29.541 28.738 -0.098 0.000 1.200 499 Q HN 0.417 nan 8.270 nan 0.000 0.396 500 Q N 1.472 121.029 119.800 -0.405 0.000 2.205 500 Q HA 0.493 4.834 4.340 0.001 0.000 0.249 500 Q C -0.746 174.963 176.000 -0.485 0.000 0.948 500 Q CA -0.321 55.140 55.803 -0.569 0.000 0.895 500 Q CB 2.010 30.059 28.738 -1.148 0.000 1.249 500 Q HN 0.824 nan 8.270 nan 0.000 0.458 501 S N -0.789 114.786 115.700 -0.209 0.000 2.607 501 S HA 0.683 5.153 4.470 0.001 0.000 0.273 501 S C -1.728 173.026 174.600 0.255 0.000 1.148 501 S CA -0.871 57.352 58.200 0.038 0.000 0.833 501 S CB 1.681 64.921 63.200 0.067 0.000 1.130 501 S HN 0.588 nan 8.310 nan 0.000 0.470 502 W N 1.986 123.375 121.300 0.148 0.000 2.664 502 W HA 0.468 5.128 4.660 0.001 0.000 0.314 502 W C -1.692 174.881 176.519 0.089 0.000 1.010 502 W CA -1.289 56.160 57.345 0.174 0.000 1.306 502 W CB 0.759 30.333 29.460 0.190 0.000 1.254 502 W HN 0.903 nan 8.180 nan 0.000 0.404 503 N N 6.414 125.325 118.700 0.351 0.000 2.706 503 N HA 0.345 5.085 4.740 0.001 0.000 0.240 503 N C -2.218 173.356 175.510 0.108 0.000 1.039 503 N CA -0.885 52.265 53.050 0.168 0.000 0.888 503 N CB 1.836 40.399 38.487 0.127 0.000 1.128 503 N HN 0.067 nan 8.380 nan 0.000 0.512 504 P HA 0.333 nan 4.420 nan 0.000 0.307 504 P C -0.438 176.713 177.300 -0.248 0.000 1.307 504 P CA -0.536 62.536 63.100 -0.047 0.000 0.814 504 P CB 1.108 32.760 31.700 -0.079 0.000 1.311 505 V N 2.623 122.320 119.914 -0.363 0.000 2.585 505 V HA 0.134 4.254 4.120 0.001 0.000 0.296 505 V C -1.648 174.069 176.094 -0.628 0.000 1.035 505 V CA -0.938 60.889 62.300 -0.788 0.000 1.084 505 V CB 0.039 31.549 31.823 -0.521 0.000 0.953 505 V HN 0.609 nan 8.190 nan 0.000 0.483 506 P HA 0.133 nan 4.420 nan 0.000 0.272 506 P C 0.853 177.980 177.300 -0.288 0.000 1.223 506 P CA -0.263 62.605 63.100 -0.387 0.000 0.784 506 P CB 1.316 32.835 31.700 -0.301 0.000 0.923 507 L N 0.085 121.200 121.223 -0.179 0.000 2.201 507 L HA -0.066 4.274 4.340 0.001 0.000 0.212 507 L C 1.479 178.282 176.870 -0.111 0.000 1.105 507 L CA 1.156 55.916 54.840 -0.133 0.000 0.775 507 L CB -0.247 41.757 42.059 -0.091 0.000 0.913 507 L HN 0.454 nan 8.230 nan 0.000 0.440 508 K N -0.306 120.035 120.400 -0.099 0.000 2.156 508 K HA 0.277 4.598 4.320 0.001 0.000 0.254 508 K C -0.514 176.050 176.600 -0.061 0.000 0.950 508 K CA -0.568 55.680 56.287 -0.064 0.000 0.849 508 K CB 0.881 33.360 32.500 -0.034 0.000 1.100 508 K HN -0.274 nan 8.250 nan 0.000 0.434 509 T N 2.665 117.198 114.554 -0.034 0.000 2.867 509 T HA 0.182 4.532 4.350 0.001 0.000 0.297 509 T C -0.079 174.646 174.700 0.042 0.000 0.989 509 T CA 0.300 62.397 62.100 -0.004 0.000 1.159 509 T CB 0.206 69.073 68.868 -0.002 0.000 0.928 509 T HN 0.743 nan 8.240 nan 0.000 0.538 510 T N 0.704 115.323 114.554 0.108 0.000 2.589 510 T HA 0.712 5.062 4.350 0.001 0.000 0.261 510 T C -0.550 174.291 174.700 0.235 0.000 0.936 510 T CA -0.886 61.316 62.100 0.169 0.000 1.202 510 T CB 1.109 70.120 68.868 0.239 0.000 1.576 510 T HN 0.652 nan 8.240 nan 0.000 0.464 511 S N 0.157 116.020 115.700 0.273 0.000 2.556 511 S HA 0.579 5.049 4.470 0.001 0.000 0.271 511 S C -1.722 172.916 174.600 0.063 0.000 1.135 511 S CA -0.842 57.478 58.200 0.200 0.000 0.858 511 S CB 1.767 65.021 63.200 0.091 0.000 1.114 511 S HN 0.910 nan 8.310 nan 0.000 0.468 512 H N 1.267 120.206 119.070 -0.218 0.000 2.587 512 H HA 0.551 5.108 4.556 0.001 0.000 0.325 512 H C -1.165 174.052 175.328 -0.184 0.000 1.012 512 H CA -0.033 55.715 56.048 -0.500 0.000 1.213 512 H CB 1.394 30.592 29.762 -0.939 0.000 1.431 512 H HN 0.768 nan 8.280 nan 0.000 0.492 513 T N 4.000 118.404 114.554 -0.252 0.000 2.797 513 T HA 0.435 4.785 4.350 0.001 0.000 0.279 513 T C -0.429 174.238 174.700 -0.056 0.000 0.991 513 T CA -0.686 61.381 62.100 -0.055 0.000 0.979 513 T CB 1.151 69.988 68.868 -0.050 0.000 0.943 513 T HN 0.679 nan 8.240 nan 0.000 0.444 514 S N 1.331 117.087 115.700 0.094 0.000 2.638 514 S HA 0.803 5.274 4.470 0.001 0.000 0.274 514 S C -0.743 173.934 174.600 0.128 0.000 1.157 514 S CA -0.920 57.336 58.200 0.093 0.000 0.826 514 S CB 1.983 65.276 63.200 0.154 0.000 1.139 514 S HN 0.537 nan 8.310 nan 0.000 0.474 515 S N 0.674 116.441 115.700 0.112 0.000 2.537 515 S HA 0.495 4.965 4.470 0.001 0.000 0.301 515 S C -0.306 174.416 174.600 0.204 0.000 1.092 515 S CA -0.782 57.515 58.200 0.161 0.000 1.048 515 S CB 0.542 63.813 63.200 0.118 0.000 1.053 515 S HN 0.706 nan 8.310 nan 0.000 0.501 516 W N 0.000 121.339 121.300 0.065 0.000 2.388 516 W HA 0.000 4.660 4.660 0.001 0.000 0.303 516 W CA 0.000 57.382 57.345 0.062 0.000 1.226 516 W CB 0.000 29.492 29.460 0.054 0.000 1.126 516 W HN 0.000 nan 8.180 nan 0.000 0.535