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 2vkh_1_C DATA FIRST_RESID 1 DATA SEQUENCE MNLVNKAQLQ KMAYVKFRIQ EDEYVAILNA LEEYHNMSES SVVEKYLKLK DATA SEQUENCE DINNLTDNYL NTYKKSGRNK ALKKFKEYLT MEVLELKNNS LTPVEKNLHF DATA SEQUENCE IWIGGQINDT AINYINQWKD VNSDYTVKVF YDSNAFLINT LKKTIVESAT DATA SEQUENCE NNTLESFREN LNDPEFDYNK FYRKRMEIIY DKQKHFIDYY KSQIEENPEF DATA SEQUENCE IIDNIIKTYL SNEYSKDLEA LNKYIEESLN KITANNGNDI RNLEKFADED DATA SEQUENCE LVRLYNQELV ERWNLAAASD ILRISMLKED GGVYLDVDML PGIQPDLFKS DATA SEQUENCE INKPDSITNT SWEMIKLEAI MKYKEYIPGY TSKNFDMLDE EVQRSFESAL DATA SEQUENCE SSKSDKSEIF LPLDDIKVSP LEVKIAFANN SVINQALISL KDSYCSDLVI DATA SEQUENCE NQIKNRYKIL NDNLNPSINE GTDFNTTMKI FSDKLASISN EDNMMFMIKI DATA SEQUENCE TNYLKVGFAP DVRSTINLSG PGVYTGAYQD LLMFKDNSTN IHLLEPELRN DATA SEQUENCE FEFPKTKISQ LTEQEITSLW XXXXARAKSQ FEEYKKGYFE G 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 N N 2.038 120.761 118.700 0.038 0.000 2.340 2 N HA 0.316 5.058 4.740 0.004 0.000 0.236 2 N C -0.023 175.551 175.510 0.106 0.000 1.296 2 N CA -0.354 52.753 53.050 0.095 0.000 0.896 2 N CB 0.469 39.042 38.487 0.143 0.000 1.127 2 N HN 0.169 nan 8.380 nan 0.000 0.442 3 L N 0.917 122.255 121.223 0.192 0.000 2.456 3 L HA 0.178 4.520 4.340 0.004 0.000 0.272 3 L C 0.287 177.315 176.870 0.262 0.000 1.189 3 L CA -0.277 54.675 54.840 0.187 0.000 0.846 3 L CB 0.513 42.675 42.059 0.172 0.000 1.111 3 L HN 0.492 nan 8.230 nan 0.000 0.475 4 V N 5.972 125.964 119.914 0.131 0.000 2.902 4 V HA -0.137 3.986 4.120 0.004 0.000 0.297 4 V C 0.632 176.793 176.094 0.111 0.000 1.230 4 V CA 0.949 63.304 62.300 0.092 0.000 1.344 4 V CB -0.249 31.651 31.823 0.128 0.000 0.889 4 V HN 1.186 nan 8.190 nan 0.000 0.515 5 N N 4.479 123.102 118.700 -0.127 0.000 2.434 5 N HA 0.237 4.980 4.740 0.004 0.000 0.266 5 N C 1.025 176.463 175.510 -0.121 0.000 1.223 5 N CA -0.266 52.594 53.050 -0.316 0.000 0.972 5 N CB 0.520 38.766 38.487 -0.401 0.000 1.207 5 N HN 0.684 nan 8.380 nan 0.000 0.525 6 K N 0.080 120.416 120.400 -0.106 0.000 2.034 6 K HA -0.286 4.037 4.320 0.004 0.000 0.214 6 K C 1.853 178.389 176.600 -0.106 0.000 1.051 6 K CA 1.828 58.059 56.287 -0.094 0.000 0.931 6 K CB -0.738 31.716 32.500 -0.076 0.000 0.715 6 K HN 0.712 nan 8.250 nan 0.000 0.446 7 A N 0.942 123.704 122.820 -0.097 0.000 1.986 7 A HA -0.241 4.082 4.320 0.004 0.000 0.220 7 A C 2.003 179.542 177.584 -0.075 0.000 1.171 7 A CA 1.804 53.791 52.037 -0.083 0.000 0.640 7 A CB -0.467 18.485 19.000 -0.080 0.000 0.811 7 A HN 0.562 nan 8.150 nan 0.000 0.451 8 Q N -1.659 118.097 119.800 -0.074 0.000 2.187 8 Q HA 0.036 4.378 4.340 0.004 0.000 0.199 8 Q C 1.998 177.979 176.000 -0.032 0.000 0.957 8 Q CA 1.032 56.806 55.803 -0.048 0.000 0.857 8 Q CB -0.115 28.599 28.738 -0.040 0.000 0.929 8 Q HN 0.599 nan 8.270 nan 0.000 0.453 9 L N 0.641 121.823 121.223 -0.070 0.000 2.179 9 L HA -0.120 4.223 4.340 0.004 0.000 0.208 9 L C 1.995 178.839 176.870 -0.044 0.000 1.096 9 L CA 1.519 56.290 54.840 -0.115 0.000 0.779 9 L CB -0.142 41.709 42.059 -0.346 0.000 0.922 9 L HN 0.135 nan 8.230 nan 0.000 0.443 10 Q N -0.472 119.308 119.800 -0.034 0.000 2.112 10 Q HA -0.231 4.112 4.340 0.004 0.000 0.206 10 Q C 1.826 177.881 176.000 0.092 0.000 0.987 10 Q CA 1.632 57.475 55.803 0.066 0.000 0.858 10 Q CB -0.075 28.668 28.738 0.009 0.000 0.905 10 Q HN 0.401 nan 8.270 nan 0.000 0.420 11 K N 0.100 120.503 120.400 0.005 0.000 2.137 11 K HA 0.050 4.373 4.320 0.004 0.000 0.202 11 K C 1.977 178.596 176.600 0.033 0.000 1.052 11 K CA 0.689 56.955 56.287 -0.034 0.000 0.961 11 K CB -0.219 32.226 32.500 -0.090 0.000 0.741 11 K HN 0.250 nan 8.250 nan 0.000 0.452 12 M N 0.601 120.225 119.600 0.040 0.000 2.082 12 M HA -0.172 4.311 4.480 0.004 0.000 0.258 12 M C 1.792 178.125 176.300 0.055 0.000 1.071 12 M CA 2.136 57.473 55.300 0.062 0.000 1.103 12 M CB -0.360 32.289 32.600 0.082 0.000 1.307 12 M HN 0.062 nan 8.290 nan 0.000 0.409 13 A N -1.392 121.455 122.820 0.045 0.000 2.370 13 A HA 0.040 4.363 4.320 0.004 0.000 0.238 13 A C -0.031 177.516 177.584 -0.062 0.000 1.289 13 A CA -0.368 51.653 52.037 -0.025 0.000 0.885 13 A CB -0.738 18.242 19.000 -0.033 0.000 0.961 13 A HN 0.454 nan 8.150 nan 0.000 0.499 14 Y N 0.511 120.748 120.300 -0.106 0.000 2.465 14 Y HA 0.373 4.926 4.550 0.004 0.000 0.331 14 Y C -0.432 175.382 175.900 -0.143 0.000 1.102 14 Y CA 0.017 58.045 58.100 -0.120 0.000 1.358 14 Y CB 0.648 39.058 38.460 -0.083 0.000 1.213 14 Y HN -0.023 nan 8.280 nan 0.000 0.525 15 V N 7.809 127.306 119.914 -0.695 0.000 2.409 15 V HA 0.205 4.328 4.120 0.004 0.000 0.290 15 V C -0.332 175.208 176.094 -0.925 0.000 1.017 15 V CA -1.497 60.416 62.300 -0.645 0.000 0.841 15 V CB 1.338 32.942 31.823 -0.365 0.000 1.003 15 V HN 0.677 nan 8.190 nan 0.000 0.426 16 K N 4.035 123.837 120.400 -0.996 0.000 2.447 16 K HA 0.187 4.509 4.320 0.004 0.000 0.281 16 K C 0.124 176.349 176.600 -0.625 0.000 1.031 16 K CA 0.312 56.024 56.287 -0.958 0.000 1.019 16 K CB -0.022 31.997 32.500 -0.801 0.000 0.918 16 K HN 0.533 nan 8.250 nan 0.000 0.476 17 F N -0.546 119.298 119.950 -0.177 0.000 2.619 17 F HA -0.272 4.257 4.527 0.004 0.000 0.425 17 F C 0.547 176.280 175.800 -0.112 0.000 0.575 17 F CA 0.769 58.710 58.000 -0.098 0.000 1.289 17 F CB -1.675 37.284 39.000 -0.067 0.000 1.859 17 F HN 0.660 nan 8.300 nan 0.000 0.280 18 R N 1.907 122.369 120.500 -0.062 0.000 2.442 18 R HA 0.479 4.821 4.340 0.004 0.000 0.291 18 R C 0.366 176.628 176.300 -0.064 0.000 1.069 18 R CA -0.366 55.682 56.100 -0.087 0.000 1.022 18 R CB 0.350 30.537 30.300 -0.189 0.000 0.976 18 R HN 0.239 nan 8.270 nan 0.000 0.443 19 I N 4.309 124.858 120.570 -0.035 0.000 2.826 19 I HA -0.158 4.015 4.170 0.004 0.000 0.295 19 I C 0.660 176.764 176.117 -0.022 0.000 1.213 19 I CA 0.929 62.224 61.300 -0.009 0.000 1.436 19 I CB 0.548 38.549 38.000 0.002 0.000 1.348 19 I HN 0.477 nan 8.210 nan 0.000 0.570 20 Q N 6.239 126.066 119.800 0.046 0.000 2.324 20 Q HA 0.102 4.444 4.340 0.004 0.000 0.257 20 Q C -0.595 175.494 176.000 0.148 0.000 1.080 20 Q CA -0.307 55.584 55.803 0.147 0.000 0.907 20 Q CB 0.332 29.189 28.738 0.198 0.000 1.274 20 Q HN 0.456 nan 8.270 nan 0.000 0.434 21 E N 1.822 122.116 120.200 0.157 0.000 2.373 21 E HA -0.041 4.312 4.350 0.004 0.000 0.267 21 E C 0.229 176.961 176.600 0.220 0.000 1.032 21 E CA -0.250 56.245 56.400 0.159 0.000 0.889 21 E CB 0.586 30.336 29.700 0.083 0.000 0.984 21 E HN 0.370 nan 8.360 nan 0.000 0.425 22 D N 2.482 122.988 120.400 0.176 0.000 2.191 22 D HA -0.240 4.403 4.640 0.004 0.000 0.190 22 D C 1.236 177.645 176.300 0.182 0.000 1.007 22 D CA 1.573 55.660 54.000 0.145 0.000 0.865 22 D CB 0.050 40.922 40.800 0.120 0.000 0.929 22 D HN 0.516 nan 8.370 nan 0.000 0.447 23 E N -1.064 119.305 120.200 0.282 0.000 2.153 23 E HA -0.179 4.173 4.350 0.004 0.000 0.194 23 E C 1.846 178.671 176.600 0.376 0.000 0.988 23 E CA 0.664 57.275 56.400 0.351 0.000 0.811 23 E CB -0.207 29.790 29.700 0.494 0.000 0.746 23 E HN 0.445 nan 8.360 nan 0.000 0.466 24 Y N 0.034 120.457 120.300 0.204 0.000 2.269 24 Y HA -0.087 4.465 4.550 0.004 0.000 0.294 24 Y C 1.917 177.788 175.900 -0.047 0.000 1.120 24 Y CA 0.719 58.797 58.100 -0.037 0.000 1.159 24 Y CB -0.279 38.097 38.460 -0.139 0.000 1.024 24 Y HN -0.151 nan 8.280 nan 0.000 0.532 25 V N 1.041 120.889 119.914 -0.110 0.000 2.392 25 V HA -0.335 3.787 4.120 0.004 0.000 0.249 25 V C 2.725 178.749 176.094 -0.116 0.000 1.059 25 V CA 1.688 63.887 62.300 -0.168 0.000 1.051 25 V CB -1.750 30.052 31.823 -0.035 0.000 0.658 25 V HN 0.552 nan 8.190 nan 0.000 0.455 26 A N 0.910 123.714 122.820 -0.026 0.000 1.849 26 A HA -0.225 4.097 4.320 0.004 0.000 0.217 26 A C 2.117 179.678 177.584 -0.038 0.000 1.202 26 A CA 2.307 54.342 52.037 -0.004 0.000 0.629 26 A CB -0.649 18.382 19.000 0.051 0.000 0.834 26 A HN 0.393 nan 8.150 nan 0.000 0.447 27 I N 0.163 120.702 120.570 -0.051 0.000 2.091 27 I HA -0.313 3.859 4.170 0.004 0.000 0.240 27 I C 2.581 178.616 176.117 -0.136 0.000 1.046 27 I CA 1.653 62.909 61.300 -0.073 0.000 1.306 27 I CB -1.894 36.016 38.000 -0.150 0.000 1.018 27 I HN 0.327 nan 8.210 nan 0.000 0.404 28 L N 0.255 121.309 121.223 -0.281 0.000 2.012 28 L HA -0.241 4.101 4.340 0.004 0.000 0.210 28 L C 2.425 179.220 176.870 -0.125 0.000 1.073 28 L CA 1.505 56.181 54.840 -0.274 0.000 0.748 28 L CB -0.776 41.039 42.059 -0.407 0.000 0.891 28 L HN 0.311 nan 8.230 nan 0.000 0.431 29 N N 0.213 118.854 118.700 -0.097 0.000 2.120 29 N HA -0.132 4.611 4.740 0.004 0.000 0.188 29 N C 1.881 177.391 175.510 0.000 0.000 1.024 29 N CA 1.531 54.556 53.050 -0.041 0.000 0.852 29 N CB -0.327 38.141 38.487 -0.032 0.000 1.003 29 N HN 0.311 nan 8.380 nan 0.000 0.424 30 A N 0.827 123.649 122.820 0.004 0.000 1.908 30 A HA -0.111 4.212 4.320 0.004 0.000 0.218 30 A C 2.230 179.868 177.584 0.091 0.000 1.181 30 A CA 1.094 53.153 52.037 0.037 0.000 0.627 30 A CB -0.742 18.271 19.000 0.021 0.000 0.818 30 A HN 0.267 nan 8.150 nan 0.000 0.445 31 L N -0.080 121.204 121.223 0.102 0.000 2.056 31 L HA -0.115 4.228 4.340 0.004 0.000 0.207 31 L C 2.225 179.266 176.870 0.284 0.000 1.078 31 L CA 2.483 57.453 54.840 0.217 0.000 0.749 31 L CB -0.610 41.577 42.059 0.212 0.000 0.901 31 L HN 0.579 nan 8.230 nan 0.000 0.433 32 E N -0.018 120.272 120.200 0.151 0.000 2.021 32 E HA -0.312 4.040 4.350 0.004 0.000 0.200 32 E C 1.966 178.650 176.600 0.141 0.000 1.015 32 E CA 1.952 58.429 56.400 0.128 0.000 0.824 32 E CB -0.269 29.455 29.700 0.040 0.000 0.762 32 E HN 0.785 nan 8.360 nan 0.000 0.454 33 E N -0.358 119.900 120.200 0.097 0.000 2.265 33 E HA -0.244 4.108 4.350 0.004 0.000 0.196 33 E C 2.023 178.666 176.600 0.071 0.000 0.996 33 E CA 1.041 57.481 56.400 0.068 0.000 0.832 33 E CB -0.599 29.128 29.700 0.045 0.000 0.756 33 E HN 0.450 nan 8.360 nan 0.000 0.491 34 Y N 1.885 122.185 120.300 -0.001 0.000 2.200 34 Y HA -0.195 4.358 4.550 0.004 0.000 0.290 34 Y C 2.052 177.876 175.900 -0.126 0.000 1.137 34 Y CA 1.929 59.982 58.100 -0.078 0.000 1.163 34 Y CB -0.188 38.195 38.460 -0.128 0.000 0.988 34 Y HN 0.107 nan 8.280 nan 0.000 0.518 35 H N -0.436 118.613 119.070 -0.036 0.000 2.555 35 H HA 0.035 4.593 4.556 0.004 0.000 0.269 35 H C 0.592 175.849 175.328 -0.119 0.000 0.988 35 H CA 1.102 57.087 56.048 -0.105 0.000 1.178 35 H CB -0.153 29.623 29.762 0.023 0.000 1.373 35 H HN 0.508 nan 8.280 nan 0.000 0.588 36 N N -0.103 118.588 118.700 -0.015 0.000 2.270 36 N HA 0.085 4.828 4.740 0.004 0.000 0.198 36 N C 0.934 176.394 175.510 -0.083 0.000 1.117 36 N CA 0.004 53.034 53.050 -0.033 0.000 0.845 36 N CB 0.371 38.854 38.487 -0.005 0.000 0.980 36 N HN 0.181 nan 8.380 nan 0.000 0.486 37 M N -0.142 119.354 119.600 -0.174 0.000 2.419 37 M HA 0.105 4.587 4.480 0.004 0.000 0.252 37 M C 1.422 177.610 176.300 -0.188 0.000 1.143 37 M CA -0.009 55.183 55.300 -0.179 0.000 0.985 37 M CB 0.216 32.676 32.600 -0.234 0.000 1.489 37 M HN 0.190 nan 8.290 nan 0.000 0.484 38 S N -0.122 115.474 115.700 -0.172 0.000 2.462 38 S HA -0.144 4.329 4.470 0.004 0.000 0.243 38 S C 1.291 175.843 174.600 -0.079 0.000 1.003 38 S CA 1.328 59.448 58.200 -0.133 0.000 0.970 38 S CB -0.172 62.974 63.200 -0.091 0.000 0.762 38 S HN 0.378 nan 8.310 nan 0.000 0.510 39 E N 1.188 121.350 120.200 -0.063 0.000 2.465 39 E HA 0.396 4.748 4.350 0.004 0.000 0.195 39 E C -0.171 176.411 176.600 -0.030 0.000 1.028 39 E CA -0.145 56.233 56.400 -0.038 0.000 0.899 39 E CB 0.624 30.308 29.700 -0.028 0.000 1.032 39 E HN 0.480 nan 8.360 nan 0.000 0.468 40 S N -0.127 115.549 115.700 -0.041 0.000 2.672 40 S HA 0.348 4.820 4.470 0.004 0.000 0.276 40 S C 0.171 174.766 174.600 -0.008 0.000 1.207 40 S CA -0.681 57.505 58.200 -0.022 0.000 1.002 40 S CB 1.190 64.374 63.200 -0.027 0.000 0.998 40 S HN 0.303 nan 8.310 nan 0.000 0.542 41 S N 0.521 116.227 115.700 0.010 0.000 2.576 41 S HA 0.095 4.567 4.470 0.004 0.000 0.272 41 S C 1.277 175.895 174.600 0.031 0.000 1.352 41 S CA -0.714 57.499 58.200 0.021 0.000 1.021 41 S CB 0.223 63.442 63.200 0.032 0.000 0.887 41 S HN 0.394 nan 8.310 nan 0.000 0.542 42 V N 2.195 122.129 119.914 0.034 0.000 2.407 42 V HA -0.150 3.972 4.120 0.004 0.000 0.248 42 V C 2.611 178.741 176.094 0.059 0.000 1.055 42 V CA 1.766 64.094 62.300 0.047 0.000 1.049 42 V CB -1.266 30.578 31.823 0.035 0.000 0.662 42 V HN 0.920 nan 8.190 nan 0.000 0.455 43 V N -1.049 118.889 119.914 0.040 0.000 2.548 43 V HA -0.146 3.976 4.120 0.004 0.000 0.249 43 V C 2.311 178.449 176.094 0.074 0.000 1.055 43 V CA 2.221 64.530 62.300 0.015 0.000 1.065 43 V CB -0.442 31.400 31.823 0.032 0.000 0.681 43 V HN 0.486 nan 8.190 nan 0.000 0.462 44 E N 0.940 121.185 120.200 0.074 0.000 2.106 44 E HA -0.093 4.259 4.350 0.004 0.000 0.192 44 E C 2.167 178.821 176.600 0.090 0.000 0.984 44 E CA 1.501 57.945 56.400 0.073 0.000 0.806 44 E CB -0.289 29.442 29.700 0.050 0.000 0.750 44 E HN 0.716 nan 8.360 nan 0.000 0.458 45 K N -0.877 119.589 120.400 0.110 0.000 2.025 45 K HA -0.170 4.152 4.320 0.004 0.000 0.207 45 K C 2.140 178.884 176.600 0.240 0.000 1.049 45 K CA 1.339 57.751 56.287 0.208 0.000 0.933 45 K CB -0.410 32.202 32.500 0.188 0.000 0.714 45 K HN 0.162 nan 8.250 nan 0.000 0.438 46 Y N 1.728 122.057 120.300 0.049 0.000 2.114 46 Y HA -0.236 4.317 4.550 0.004 0.000 0.282 46 Y C 1.677 177.577 175.900 0.000 0.000 1.165 46 Y CA 1.538 59.640 58.100 0.004 0.000 1.148 46 Y CB -0.197 38.169 38.460 -0.156 0.000 0.972 46 Y HN -0.052 nan 8.280 nan 0.000 0.504 47 L N -0.134 121.062 121.223 -0.045 0.000 2.291 47 L HA -0.120 4.222 4.340 0.004 0.000 0.214 47 L C 2.366 179.161 176.870 -0.125 0.000 1.120 47 L CA 1.092 55.873 54.840 -0.099 0.000 0.799 47 L CB -0.433 41.660 42.059 0.056 0.000 0.925 47 L HN 0.080 nan 8.230 nan 0.000 0.446 48 K N 0.992 121.355 120.400 -0.061 0.000 2.001 48 K HA -0.101 4.222 4.320 0.004 0.000 0.208 48 K C 1.958 178.426 176.600 -0.220 0.000 1.048 48 K CA 1.488 57.749 56.287 -0.043 0.000 0.932 48 K CB -0.456 32.133 32.500 0.149 0.000 0.715 48 K HN 0.096 nan 8.250 nan 0.000 0.437 49 L N 0.911 121.918 121.223 -0.360 0.000 1.997 49 L HA -0.285 4.058 4.340 0.004 0.000 0.216 49 L C 2.647 178.981 176.870 -0.895 0.000 1.074 49 L CA 2.056 56.520 54.840 -0.627 0.000 0.763 49 L CB -0.672 41.099 42.059 -0.480 0.000 0.890 49 L HN 0.310 nan 8.230 nan 0.000 0.434 50 K N -0.043 119.848 120.400 -0.848 0.000 2.074 50 K HA -0.230 4.092 4.320 0.004 0.000 0.209 50 K C 1.699 178.045 176.600 -0.424 0.000 1.048 50 K CA 1.948 57.812 56.287 -0.705 0.000 0.926 50 K CB -0.031 32.250 32.500 -0.365 0.000 0.713 50 K HN 0.295 nan 8.250 nan 0.000 0.444 51 D N 0.588 120.814 120.400 -0.291 0.000 2.117 51 D HA -0.112 4.531 4.640 0.004 0.000 0.198 51 D C 1.916 178.112 176.300 -0.172 0.000 0.982 51 D CA 1.054 54.956 54.000 -0.164 0.000 0.828 51 D CB -0.106 40.639 40.800 -0.091 0.000 0.967 51 D HN 0.298 nan 8.370 nan 0.000 0.464 52 I N 0.820 121.249 120.570 -0.234 0.000 2.361 52 I HA -0.252 3.920 4.170 0.004 0.000 0.251 52 I C 2.093 178.105 176.117 -0.175 0.000 1.133 52 I CA 0.746 61.953 61.300 -0.155 0.000 1.413 52 I CB -0.218 37.689 38.000 -0.155 0.000 1.073 52 I HN -0.047 nan 8.210 nan 0.000 0.424 53 N N 1.280 119.742 118.700 -0.396 0.000 2.106 53 N HA -0.175 4.567 4.740 0.004 0.000 0.188 53 N C 1.632 177.063 175.510 -0.132 0.000 1.029 53 N CA 1.478 54.315 53.050 -0.354 0.000 0.848 53 N CB -0.059 38.034 38.487 -0.657 0.000 1.007 53 N HN 0.142 nan 8.380 nan 0.000 0.423 54 N N 0.198 118.827 118.700 -0.118 0.000 2.223 54 N HA -0.081 4.661 4.740 0.004 0.000 0.185 54 N C 1.504 177.024 175.510 0.017 0.000 1.016 54 N CA 0.662 53.696 53.050 -0.026 0.000 0.863 54 N CB -0.239 38.233 38.487 -0.025 0.000 0.983 54 N HN 0.365 nan 8.380 nan 0.000 0.429 55 L N 0.154 121.386 121.223 0.015 0.000 2.217 55 L HA -0.040 4.302 4.340 0.004 0.000 0.211 55 L C 1.951 178.900 176.870 0.132 0.000 1.107 55 L CA 0.852 55.732 54.840 0.067 0.000 0.783 55 L CB -0.444 41.646 42.059 0.051 0.000 0.919 55 L HN 0.115 nan 8.230 nan 0.000 0.442 56 T N -0.500 114.131 114.554 0.128 0.000 2.812 56 T HA -0.129 4.224 4.350 0.004 0.000 0.264 56 T C 1.324 176.149 174.700 0.207 0.000 1.042 56 T CA 1.555 63.771 62.100 0.193 0.000 1.140 56 T CB -0.262 68.743 68.868 0.228 0.000 0.870 56 T HN 0.529 nan 8.240 nan 0.000 0.445 57 D N 1.206 121.687 120.400 0.135 0.000 2.289 57 D HA -0.055 4.587 4.640 0.004 0.000 0.207 57 D C 1.761 178.132 176.300 0.118 0.000 0.966 57 D CA 0.365 54.442 54.000 0.128 0.000 0.868 57 D CB -0.808 40.044 40.800 0.086 0.000 0.943 57 D HN 0.396 nan 8.370 nan 0.000 0.514 58 N N -0.205 118.562 118.700 0.111 0.000 2.061 58 N HA -0.319 4.424 4.740 0.004 0.000 0.193 58 N C 1.784 177.372 175.510 0.129 0.000 1.030 58 N CA 1.122 54.227 53.050 0.092 0.000 0.856 58 N CB -0.353 38.186 38.487 0.087 0.000 1.023 58 N HN 0.321 nan 8.380 nan 0.000 0.424 59 Y N 1.562 121.934 120.300 0.120 0.000 2.070 59 Y HA -0.184 4.369 4.550 0.004 0.000 0.280 59 Y C 2.472 178.490 175.900 0.197 0.000 1.148 59 Y CA 1.733 59.956 58.100 0.206 0.000 1.125 59 Y CB -0.510 38.077 38.460 0.212 0.000 0.975 59 Y HN 0.057 nan 8.280 nan 0.000 0.492 60 L N 0.391 121.813 121.223 0.332 0.000 2.043 60 L HA -0.329 4.013 4.340 0.004 0.000 0.212 60 L C 2.115 179.010 176.870 0.042 0.000 1.075 60 L CA 1.630 56.589 54.840 0.199 0.000 0.752 60 L CB -0.738 41.431 42.059 0.184 0.000 0.891 60 L HN 0.355 nan 8.230 nan 0.000 0.432 61 N N -0.877 117.831 118.700 0.014 0.000 2.244 61 N HA -0.117 4.626 4.740 0.004 0.000 0.183 61 N C 1.826 177.255 175.510 -0.135 0.000 1.016 61 N CA 1.714 54.739 53.050 -0.042 0.000 0.866 61 N CB -0.462 38.008 38.487 -0.027 0.000 0.980 61 N HN 0.345 nan 8.380 nan 0.000 0.430 62 T N -0.106 114.308 114.554 -0.233 0.000 2.732 62 T HA -0.056 4.296 4.350 0.004 0.000 0.261 62 T C 0.326 174.627 174.700 -0.664 0.000 1.040 62 T CA 1.064 62.857 62.100 -0.512 0.000 1.145 62 T CB -0.226 68.207 68.868 -0.725 0.000 0.866 62 T HN 0.254 nan 8.240 nan 0.000 0.427 63 Y N 1.663 121.762 120.300 -0.335 0.000 2.902 63 Y HA 0.422 4.974 4.550 0.004 0.000 0.353 63 Y C 1.189 176.993 175.900 -0.161 0.000 1.116 63 Y CA -0.958 56.971 58.100 -0.285 0.000 1.222 63 Y CB 0.135 38.324 38.460 -0.452 0.000 1.302 63 Y HN -0.005 nan 8.280 nan 0.000 0.590 64 K N 0.709 121.103 120.400 -0.011 0.000 2.281 64 K HA -0.159 4.164 4.320 0.004 0.000 0.203 64 K C 1.028 177.648 176.600 0.033 0.000 1.046 64 K CA 1.335 57.628 56.287 0.010 0.000 0.938 64 K CB 0.118 32.610 32.500 -0.013 0.000 0.737 64 K HN 0.519 nan 8.250 nan 0.000 0.458 65 K N 0.300 120.724 120.400 0.041 0.000 2.358 65 K HA 0.086 4.408 4.320 0.004 0.000 0.197 65 K C 0.474 177.099 176.600 0.042 0.000 1.025 65 K CA -0.188 56.120 56.287 0.035 0.000 1.104 65 K CB 0.885 33.399 32.500 0.025 0.000 0.855 65 K HN -0.093 nan 8.250 nan 0.000 0.531 66 S N 0.409 116.150 115.700 0.068 0.000 2.558 66 S HA 0.051 4.523 4.470 0.004 0.000 0.288 66 S C 1.230 175.849 174.600 0.032 0.000 1.318 66 S CA -0.185 58.047 58.200 0.054 0.000 1.056 66 S CB 0.788 64.058 63.200 0.116 0.000 0.853 66 S HN 0.436 nan 8.310 nan 0.000 0.505 67 G N 3.498 112.288 108.800 -0.018 0.000 3.026 67 G HA2 0.026 3.988 3.960 0.004 0.000 0.208 67 G HA3 0.026 3.988 3.960 0.004 0.000 0.208 67 G C 1.240 176.102 174.900 -0.065 0.000 1.169 67 G CA -0.259 44.818 45.100 -0.039 0.000 0.788 67 G HN 0.755 nan 8.290 nan 0.000 0.533 68 R N -0.042 120.420 120.500 -0.064 0.000 2.189 68 R HA 0.079 4.422 4.340 0.004 0.000 0.203 68 R C 1.903 178.182 176.300 -0.034 0.000 1.012 68 R CA 0.315 56.340 56.100 -0.125 0.000 1.015 68 R CB -0.223 29.898 30.300 -0.298 0.000 0.938 68 R HN 0.402 nan 8.270 nan 0.000 0.472 69 N N 1.505 120.240 118.700 0.059 0.000 2.094 69 N HA -0.242 4.500 4.740 0.004 0.000 0.191 69 N C 1.796 177.337 175.510 0.052 0.000 1.023 69 N CA 1.311 54.419 53.050 0.098 0.000 0.857 69 N CB -0.062 38.495 38.487 0.115 0.000 1.013 69 N HN 0.211 nan 8.380 nan 0.000 0.426 70 K N 1.262 121.677 120.400 0.025 0.000 2.155 70 K HA 0.002 4.324 4.320 0.004 0.000 0.203 70 K C 2.019 178.622 176.600 0.005 0.000 1.052 70 K CA 1.013 57.308 56.287 0.013 0.000 0.948 70 K CB -0.003 32.501 32.500 0.007 0.000 0.728 70 K HN 0.069 nan 8.250 nan 0.000 0.448 71 A N 1.249 124.072 122.820 0.004 0.000 1.969 71 A HA -0.013 4.310 4.320 0.004 0.000 0.218 71 A C 1.982 179.588 177.584 0.037 0.000 1.169 71 A CA 0.945 52.989 52.037 0.011 0.000 0.635 71 A CB -0.389 18.612 19.000 0.002 0.000 0.810 71 A HN 0.331 nan 8.150 nan 0.000 0.445 72 L N -1.251 119.996 121.223 0.041 0.000 2.492 72 L HA -0.014 4.328 4.340 0.004 0.000 0.223 72 L C 2.256 179.217 176.870 0.152 0.000 1.132 72 L CA 0.671 55.579 54.840 0.114 0.000 0.850 72 L CB -0.192 41.901 42.059 0.056 0.000 0.966 72 L HN 0.341 nan 8.230 nan 0.000 0.454 73 K N 0.074 120.518 120.400 0.073 0.000 2.128 73 K HA -0.101 4.221 4.320 0.004 0.000 0.202 73 K C 2.012 178.591 176.600 -0.035 0.000 1.050 73 K CA 0.428 56.736 56.287 0.035 0.000 0.966 73 K CB 0.109 32.622 32.500 0.021 0.000 0.759 73 K HN -0.105 nan 8.250 nan 0.000 0.454 74 K N 1.322 121.666 120.400 -0.093 0.000 2.059 74 K HA -0.199 4.124 4.320 0.004 0.000 0.212 74 K C 1.789 178.139 176.600 -0.417 0.000 1.050 74 K CA 1.427 57.532 56.287 -0.303 0.000 0.927 74 K CB -0.563 31.755 32.500 -0.303 0.000 0.714 74 K HN 0.028 nan 8.250 nan 0.000 0.447 75 F N 1.736 121.530 119.950 -0.260 0.000 2.091 75 F HA -0.220 4.310 4.527 0.004 0.000 0.299 75 F C 1.569 177.363 175.800 -0.009 0.000 1.103 75 F CA 1.865 59.833 58.000 -0.053 0.000 1.228 75 F CB -0.270 38.747 39.000 0.029 0.000 0.984 75 F HN 0.019 nan 8.300 nan 0.000 0.477 76 K N 0.103 120.451 120.400 -0.087 0.000 2.074 76 K HA -0.227 4.096 4.320 0.004 0.000 0.209 76 K C 1.978 178.533 176.600 -0.076 0.000 1.048 76 K CA 1.958 58.158 56.287 -0.144 0.000 0.926 76 K CB -0.503 31.989 32.500 -0.014 0.000 0.713 76 K HN 0.453 nan 8.250 nan 0.000 0.444 77 E N -0.007 120.145 120.200 -0.080 0.000 2.085 77 E HA -0.188 4.165 4.350 0.004 0.000 0.194 77 E C 1.973 178.609 176.600 0.060 0.000 0.994 77 E CA 1.202 57.583 56.400 -0.032 0.000 0.801 77 E CB -0.138 29.500 29.700 -0.104 0.000 0.743 77 E HN 0.320 nan 8.360 nan 0.000 0.453 78 Y N 0.606 120.892 120.300 -0.023 0.000 2.293 78 Y HA -0.129 4.424 4.550 0.004 0.000 0.291 78 Y C 2.142 177.978 175.900 -0.106 0.000 1.137 78 Y CA 0.554 58.637 58.100 -0.028 0.000 1.202 78 Y CB -0.580 37.901 38.460 0.035 0.000 0.990 78 Y HN 0.043 nan 8.280 nan 0.000 0.537 79 L N -1.157 120.008 121.223 -0.096 0.000 2.083 79 L HA -0.218 4.124 4.340 0.004 0.000 0.209 79 L C 2.251 179.214 176.870 0.153 0.000 1.083 79 L CA 1.734 56.485 54.840 -0.148 0.000 0.752 79 L CB -0.810 41.015 42.059 -0.390 0.000 0.899 79 L HN 0.136 nan 8.230 nan 0.000 0.433 80 T N -0.805 113.862 114.554 0.189 0.000 2.857 80 T HA -0.100 4.252 4.350 0.004 0.000 0.266 80 T C 1.905 176.660 174.700 0.093 0.000 1.048 80 T CA 0.933 63.120 62.100 0.144 0.000 1.139 80 T CB -0.026 68.905 68.868 0.105 0.000 0.874 80 T HN 0.089 nan 8.240 nan 0.000 0.455 81 M N 1.118 120.780 119.600 0.104 0.000 2.296 81 M HA 0.038 4.520 4.480 0.004 0.000 0.265 81 M C 2.129 178.471 176.300 0.070 0.000 1.064 81 M CA 1.069 56.421 55.300 0.086 0.000 1.109 81 M CB -1.002 31.668 32.600 0.118 0.000 1.396 81 M HN 0.210 nan 8.290 nan 0.000 0.430 82 E N 0.205 120.452 120.200 0.079 0.000 2.158 82 E HA -0.060 4.292 4.350 0.004 0.000 0.191 82 E C 1.892 178.550 176.600 0.096 0.000 0.982 82 E CA 0.703 57.145 56.400 0.069 0.000 0.823 82 E CB -0.073 29.638 29.700 0.018 0.000 0.766 82 E HN 0.226 nan 8.360 nan 0.000 0.468 83 V N 0.938 120.927 119.914 0.126 0.000 2.287 83 V HA -0.289 3.834 4.120 0.004 0.000 0.248 83 V C 2.424 178.552 176.094 0.057 0.000 1.053 83 V CA 1.909 64.292 62.300 0.139 0.000 1.027 83 V CB -0.546 31.337 31.823 0.099 0.000 0.646 83 V HN 0.345 nan 8.190 nan 0.000 0.447 84 L N -0.446 120.785 121.223 0.015 0.000 2.141 84 L HA -0.150 4.193 4.340 0.004 0.000 0.209 84 L C 2.570 179.419 176.870 -0.035 0.000 1.094 84 L CA 1.439 56.248 54.840 -0.051 0.000 0.763 84 L CB -0.461 41.560 42.059 -0.063 0.000 0.908 84 L HN 0.366 nan 8.230 nan 0.000 0.437 85 E N 0.674 120.879 120.200 0.008 0.000 2.072 85 E HA -0.157 4.196 4.350 0.004 0.000 0.190 85 E C 2.261 178.876 176.600 0.026 0.000 0.982 85 E CA 0.971 57.380 56.400 0.017 0.000 0.803 85 E CB -0.102 29.622 29.700 0.040 0.000 0.755 85 E HN 0.301 nan 8.360 nan 0.000 0.453 86 L N 0.541 121.796 121.223 0.054 0.000 1.989 86 L HA -0.242 4.100 4.340 0.004 0.000 0.211 86 L C 2.677 179.559 176.870 0.021 0.000 1.071 86 L CA 1.865 56.742 54.840 0.061 0.000 0.749 86 L CB -0.544 41.581 42.059 0.111 0.000 0.890 86 L HN 0.199 nan 8.230 nan 0.000 0.431 87 K N 0.106 120.503 120.400 -0.004 0.000 2.026 87 K HA -0.185 4.137 4.320 0.004 0.000 0.208 87 K C 1.804 178.373 176.600 -0.052 0.000 1.048 87 K CA 1.663 57.926 56.287 -0.040 0.000 0.929 87 K CB 0.022 32.463 32.500 -0.098 0.000 0.713 87 K HN 0.282 nan 8.250 nan 0.000 0.439 88 N N 1.097 119.761 118.700 -0.059 0.000 2.381 88 N HA -0.093 4.649 4.740 0.004 0.000 0.182 88 N C 0.536 176.029 175.510 -0.029 0.000 1.025 88 N CA 0.783 53.801 53.050 -0.054 0.000 0.888 88 N CB -0.084 38.369 38.487 -0.057 0.000 0.965 88 N HN 0.235 nan 8.380 nan 0.000 0.438 89 N N -0.252 118.440 118.700 -0.014 0.000 2.238 89 N HA 0.070 4.813 4.740 0.004 0.000 0.222 89 N C -0.109 175.401 175.510 -0.001 0.000 1.133 89 N CA 0.123 53.170 53.050 -0.005 0.000 0.854 89 N CB 0.486 38.975 38.487 0.003 0.000 1.041 89 N HN 0.143 nan 8.380 nan 0.000 0.510 90 S N -0.711 114.987 115.700 -0.003 0.000 2.902 90 S HA 0.261 4.734 4.470 0.004 0.000 0.250 90 S C -0.184 174.416 174.600 -0.001 0.000 1.046 90 S CA -0.552 57.650 58.200 0.002 0.000 1.069 90 S CB 0.107 63.313 63.200 0.010 0.000 0.967 90 S HN -0.127 nan 8.310 nan 0.000 0.530 91 L N 3.822 125.041 121.223 -0.007 0.000 2.367 91 L HA 0.640 4.982 4.340 0.004 0.000 0.275 91 L C 0.617 177.484 176.870 -0.005 0.000 1.129 91 L CA 0.836 55.671 54.840 -0.009 0.000 0.839 91 L CB 0.553 42.602 42.059 -0.017 0.000 1.133 91 L HN 0.658 nan 8.230 nan 0.000 0.453 92 T N 1.868 116.420 114.554 -0.003 0.000 2.894 92 T HA 0.596 4.949 4.350 0.004 0.000 0.309 92 T C -3.003 171.694 174.700 -0.004 0.000 1.208 92 T CA -1.925 60.174 62.100 -0.002 0.000 1.016 92 T CB 2.109 70.977 68.868 0.000 0.000 1.192 92 T HN 0.269 nan 8.240 nan 0.000 0.491 93 P HA 0.192 nan 4.420 nan 0.000 0.264 93 P C 0.643 177.934 177.300 -0.015 0.000 1.193 93 P CA -0.239 62.857 63.100 -0.007 0.000 0.763 93 P CB 0.244 31.939 31.700 -0.009 0.000 0.810 94 V N 1.099 121.006 119.914 -0.011 0.000 3.139 94 V HA 0.091 4.214 4.120 0.004 0.000 0.307 94 V C 0.720 176.778 176.094 -0.059 0.000 1.095 94 V CA -0.539 61.749 62.300 -0.020 0.000 1.160 94 V CB -0.686 31.135 31.823 -0.003 0.000 1.003 94 V HN 0.342 nan 8.190 nan 0.000 0.489 95 E N 1.262 121.426 120.200 -0.060 0.000 2.442 95 E HA 0.105 4.457 4.350 0.004 0.000 0.262 95 E C 0.044 176.532 176.600 -0.187 0.000 1.004 95 E CA 0.384 56.728 56.400 -0.094 0.000 0.928 95 E CB 0.110 29.783 29.700 -0.046 0.000 0.937 95 E HN 0.574 nan 8.360 nan 0.000 0.446 96 K N 3.402 123.609 120.400 -0.322 0.000 2.518 96 K HA 0.196 4.519 4.320 0.004 0.000 0.244 96 K C -0.638 175.745 176.600 -0.363 0.000 1.232 96 K CA -0.269 55.550 56.287 -0.779 0.000 1.189 96 K CB -0.109 31.788 32.500 -1.006 0.000 1.737 96 K HN 0.341 nan 8.250 nan 0.000 0.333 97 N N 1.883 120.548 118.700 -0.058 0.000 2.258 97 N HA 0.346 5.088 4.740 0.004 0.000 0.299 97 N C -1.039 174.577 175.510 0.176 0.000 1.047 97 N CA -0.569 52.554 53.050 0.121 0.000 0.814 97 N CB 2.287 40.836 38.487 0.104 0.000 1.413 97 N HN 0.184 nan 8.380 nan 0.000 0.478 98 L N 1.974 123.350 121.223 0.256 0.000 2.313 98 L HA 0.397 4.740 4.340 0.004 0.000 0.283 98 L C -0.526 176.475 176.870 0.220 0.000 1.013 98 L CA -0.579 54.322 54.840 0.102 0.000 0.816 98 L CB 0.982 43.109 42.059 0.114 0.000 1.236 98 L HN 0.480 nan 8.230 nan 0.000 0.419 99 H N 4.308 123.289 119.070 -0.147 0.000 2.466 99 H HA 0.461 5.020 4.556 0.004 0.000 0.338 99 H C -1.266 173.863 175.328 -0.332 0.000 1.091 99 H CA -0.615 55.464 56.048 0.051 0.000 1.207 99 H CB 1.804 31.752 29.762 0.310 0.000 1.466 99 H HN 0.341 nan 8.280 nan 0.000 0.493 100 F N 2.132 122.225 119.950 0.238 0.000 2.593 100 F HA 0.524 5.053 4.527 0.004 0.000 0.320 100 F C -0.330 175.702 175.800 0.387 0.000 1.060 100 F CA -0.813 57.278 58.000 0.152 0.000 0.940 100 F CB 1.741 40.771 39.000 0.049 0.000 1.268 100 F HN 0.271 nan 8.300 nan 0.000 0.475 101 I N 1.600 122.539 120.570 0.616 0.000 2.512 101 I HA 0.220 4.393 4.170 0.004 0.000 0.287 101 I C -1.701 174.744 176.117 0.547 0.000 1.069 101 I CA -0.423 61.198 61.300 0.535 0.000 1.056 101 I CB 2.086 40.338 38.000 0.419 0.000 1.229 101 I HN 0.554 nan 8.210 nan 0.000 0.429 102 W N 9.150 130.616 121.300 0.277 0.000 2.687 102 W HA 0.640 5.302 4.660 0.004 0.000 0.328 102 W C -1.717 174.948 176.519 0.244 0.000 1.012 102 W CA -0.572 56.908 57.345 0.225 0.000 1.262 102 W CB 1.615 31.179 29.460 0.174 0.000 1.331 102 W HN 0.365 nan 8.180 nan 0.000 0.433 103 I N 1.978 122.332 120.570 -0.360 0.000 2.892 103 I HA 0.892 5.065 4.170 0.004 0.000 0.306 103 I C 0.785 176.720 176.117 -0.304 0.000 1.078 103 I CA -0.543 60.662 61.300 -0.158 0.000 1.032 103 I CB 2.031 40.023 38.000 -0.014 0.000 1.229 103 I HN 0.614 nan 8.210 nan 0.000 0.435 104 G N 1.791 110.544 108.800 -0.078 0.000 2.175 104 G HA2 0.214 4.177 3.960 0.004 0.000 0.244 104 G HA3 0.214 4.177 3.960 0.004 0.000 0.244 104 G C 0.287 175.253 174.900 0.109 0.000 0.982 104 G CA -0.027 45.048 45.100 -0.041 0.000 0.641 104 G HN 1.988 nan 8.290 nan 0.000 0.527 105 G N -1.443 107.530 108.800 0.289 0.000 2.327 105 G HA2 0.544 4.506 3.960 0.004 0.000 0.291 105 G HA3 0.544 4.506 3.960 0.004 0.000 0.291 105 G C -0.835 174.427 174.900 0.603 0.000 1.290 105 G CA 0.281 45.693 45.100 0.519 0.000 0.857 105 G HN 0.810 nan 8.290 nan 0.000 0.520 106 Q N -0.180 119.884 119.800 0.441 0.000 2.332 106 Q HA 0.432 4.775 4.340 0.004 0.000 0.263 106 Q C 0.235 176.380 176.000 0.241 0.000 0.979 106 Q CA -0.436 55.454 55.803 0.145 0.000 0.885 106 Q CB 0.978 29.632 28.738 -0.139 0.000 1.218 106 Q HN 0.573 nan 8.270 nan 0.000 0.405 107 I N 4.135 124.700 120.570 -0.009 0.000 2.648 107 I HA -0.018 4.154 4.170 0.004 0.000 0.284 107 I C 0.153 176.021 176.117 -0.415 0.000 1.153 107 I CA 0.244 61.228 61.300 -0.527 0.000 1.426 107 I CB 0.412 38.193 38.000 -0.365 0.000 1.381 107 I HN 0.704 nan 8.210 nan 0.000 0.571 108 N N 5.113 123.472 118.700 -0.569 0.000 2.493 108 N HA 0.026 4.769 4.740 0.004 0.000 0.275 108 N C 0.220 175.546 175.510 -0.305 0.000 1.186 108 N CA -0.523 52.324 53.050 -0.338 0.000 0.978 108 N CB 0.972 39.273 38.487 -0.311 0.000 1.184 108 N HN 0.629 nan 8.380 nan 0.000 0.487 109 D N 1.062 121.340 120.400 -0.203 0.000 2.218 109 D HA -0.109 4.533 4.640 0.004 0.000 0.204 109 D C 1.297 177.494 176.300 -0.171 0.000 0.976 109 D CA 1.359 55.262 54.000 -0.160 0.000 0.853 109 D CB 0.005 40.742 40.800 -0.104 0.000 0.939 109 D HN 0.584 nan 8.370 nan 0.000 0.481 110 T N 1.354 115.778 114.554 -0.217 0.000 2.643 110 T HA -0.140 4.213 4.350 0.004 0.000 0.264 110 T C 2.206 176.665 174.700 -0.402 0.000 1.045 110 T CA 1.623 63.554 62.100 -0.282 0.000 1.155 110 T CB -0.410 68.264 68.868 -0.322 0.000 0.863 110 T HN 0.199 nan 8.240 nan 0.000 0.420 111 A N 1.631 124.185 122.820 -0.443 0.000 1.927 111 A HA -0.137 4.185 4.320 0.004 0.000 0.220 111 A C 2.288 179.711 177.584 -0.270 0.000 1.185 111 A CA 1.456 53.248 52.037 -0.407 0.000 0.639 111 A CB -0.839 17.830 19.000 -0.552 0.000 0.820 111 A HN 0.410 nan 8.150 nan 0.000 0.451 112 I N -0.035 120.387 120.570 -0.247 0.000 2.252 112 I HA -0.205 3.968 4.170 0.004 0.000 0.245 112 I C 2.062 178.121 176.117 -0.096 0.000 1.102 112 I CA 1.674 62.864 61.300 -0.183 0.000 1.385 112 I CB -1.759 36.144 38.000 -0.162 0.000 1.064 112 I HN 0.433 nan 8.210 nan 0.000 0.414 113 N N -0.382 118.294 118.700 -0.039 0.000 2.166 113 N HA -0.215 4.528 4.740 0.004 0.000 0.186 113 N C 1.831 177.453 175.510 0.187 0.000 1.019 113 N CA 1.023 54.116 53.050 0.071 0.000 0.856 113 N CB -0.061 38.492 38.487 0.110 0.000 0.993 113 N HN 0.187 nan 8.380 nan 0.000 0.426 114 Y N 1.019 121.300 120.300 -0.031 0.000 2.184 114 Y HA -0.001 4.552 4.550 0.004 0.000 0.290 114 Y C 2.018 177.937 175.900 0.033 0.000 1.129 114 Y CA 0.386 58.496 58.100 0.016 0.000 1.144 114 Y CB -0.659 37.844 38.460 0.073 0.000 0.995 114 Y HN 0.040 nan 8.280 nan 0.000 0.513 115 I N 0.316 120.906 120.570 0.032 0.000 2.194 115 I HA -0.407 3.765 4.170 0.004 0.000 0.246 115 I C 1.891 177.992 176.117 -0.026 0.000 1.093 115 I CA 1.826 62.968 61.300 -0.263 0.000 1.355 115 I CB -0.565 37.038 38.000 -0.662 0.000 1.046 115 I HN 0.284 nan 8.210 nan 0.000 0.413 116 N N -0.029 118.651 118.700 -0.033 0.000 2.272 116 N HA -0.218 4.524 4.740 0.004 0.000 0.185 116 N C 1.764 177.259 175.510 -0.024 0.000 1.014 116 N CA 0.694 53.731 53.050 -0.020 0.000 0.870 116 N CB 0.020 38.493 38.487 -0.024 0.000 0.975 116 N HN 0.384 nan 8.380 nan 0.000 0.433 117 Q N -0.229 119.533 119.800 -0.062 0.000 2.083 117 Q HA -0.097 4.245 4.340 0.004 0.000 0.198 117 Q C 1.602 177.439 176.000 -0.271 0.000 0.969 117 Q CA 1.186 56.859 55.803 -0.216 0.000 0.838 117 Q CB -0.489 27.991 28.738 -0.430 0.000 0.900 117 Q HN 0.541 nan 8.270 nan 0.000 0.436 118 W N 1.732 122.952 121.300 -0.134 0.000 2.355 118 W HA -0.087 4.575 4.660 0.004 0.000 0.309 118 W C 2.334 178.837 176.519 -0.027 0.000 1.206 118 W CA 0.850 58.156 57.345 -0.066 0.000 1.284 118 W CB -0.230 29.287 29.460 0.095 0.000 1.145 118 W HN 0.098 nan 8.180 nan 0.000 0.502 119 K N 0.147 120.682 120.400 0.224 0.000 2.020 119 K HA -0.222 4.100 4.320 0.004 0.000 0.212 119 K C 1.490 178.135 176.600 0.074 0.000 1.050 119 K CA 2.017 58.383 56.287 0.132 0.000 0.929 119 K CB -0.634 31.909 32.500 0.071 0.000 0.714 119 K HN 0.052 nan 8.250 nan 0.000 0.443 120 D N 0.103 120.514 120.400 0.019 0.000 2.133 120 D HA -0.144 4.498 4.640 0.004 0.000 0.195 120 D C 1.701 177.996 176.300 -0.009 0.000 0.997 120 D CA 1.500 55.489 54.000 -0.018 0.000 0.840 120 D CB -0.081 40.672 40.800 -0.079 0.000 0.947 120 D HN 0.228 nan 8.370 nan 0.000 0.452 121 V N -2.447 117.462 119.914 -0.009 0.000 3.621 121 V HA 0.266 4.388 4.120 0.004 0.000 0.285 121 V C 0.259 176.375 176.094 0.036 0.000 1.346 121 V CA 0.000 62.299 62.300 -0.002 0.000 1.104 121 V CB -0.095 31.712 31.823 -0.026 0.000 0.913 121 V HN -0.032 nan 8.190 nan 0.000 0.432 122 N N 0.602 119.346 118.700 0.073 0.000 2.644 122 N HA 0.262 5.005 4.740 0.004 0.000 0.313 122 N C 0.936 176.549 175.510 0.172 0.000 1.863 122 N CA 0.367 53.489 53.050 0.121 0.000 0.918 122 N CB 1.417 39.951 38.487 0.077 0.000 1.320 122 N HN 0.320 nan 8.380 nan 0.000 0.490 123 S N 1.136 116.912 115.700 0.127 0.000 2.389 123 S HA -0.210 4.262 4.470 0.004 0.000 0.231 123 S C 1.458 176.141 174.600 0.138 0.000 1.052 123 S CA 1.800 60.067 58.200 0.111 0.000 1.053 123 S CB -0.109 63.137 63.200 0.077 0.000 0.886 123 S HN 0.606 nan 8.310 nan 0.000 0.456 124 D N -0.647 119.859 120.400 0.177 0.000 2.363 124 D HA -0.046 4.597 4.640 0.004 0.000 0.220 124 D C -0.052 176.332 176.300 0.140 0.000 0.994 124 D CA 0.346 54.434 54.000 0.146 0.000 0.890 124 D CB -0.295 40.584 40.800 0.131 0.000 0.906 124 D HN 0.346 nan 8.370 nan 0.000 0.530 125 Y N 0.308 120.648 120.300 0.067 0.000 2.420 125 Y HA 0.381 4.934 4.550 0.004 0.000 0.334 125 Y C 0.696 176.642 175.900 0.078 0.000 1.094 125 Y CA -1.164 56.978 58.100 0.071 0.000 1.126 125 Y CB 1.932 40.444 38.460 0.087 0.000 1.217 125 Y HN -0.261 nan 8.280 nan 0.000 0.462 126 T N 2.328 117.000 114.554 0.196 0.000 2.767 126 T HA 0.557 4.909 4.350 0.004 0.000 0.288 126 T C -1.132 173.688 174.700 0.200 0.000 0.963 126 T CA -0.582 61.613 62.100 0.159 0.000 1.019 126 T CB -0.064 68.863 68.868 0.098 0.000 0.923 126 T HN 0.369 nan 8.240 nan 0.000 0.468 127 V N 7.079 127.098 119.914 0.174 0.000 2.350 127 V HA 0.423 4.545 4.120 0.004 0.000 0.276 127 V C 0.184 176.349 176.094 0.119 0.000 1.028 127 V CA -0.707 61.718 62.300 0.207 0.000 0.860 127 V CB 0.945 32.901 31.823 0.221 0.000 0.990 127 V HN 0.833 nan 8.190 nan 0.000 0.453 128 K N 4.060 124.521 120.400 0.102 0.000 2.206 128 K HA 0.682 5.005 4.320 0.004 0.000 0.264 128 K C -1.162 175.339 176.600 -0.165 0.000 0.967 128 K CA -0.740 55.419 56.287 -0.214 0.000 0.844 128 K CB 2.478 34.617 32.500 -0.603 0.000 1.099 128 K HN 0.391 nan 8.250 nan 0.000 0.441 129 V N 4.722 124.528 119.914 -0.180 0.000 2.293 129 V HA 0.256 4.379 4.120 0.004 0.000 0.275 129 V C -0.651 175.449 176.094 0.011 0.000 1.021 129 V CA -0.785 61.538 62.300 0.037 0.000 0.815 129 V CB -0.316 31.544 31.823 0.063 0.000 1.025 129 V HN 0.571 nan 8.190 nan 0.000 0.448 130 F N 5.551 125.619 119.950 0.198 0.000 2.443 130 F HA 0.528 5.057 4.527 0.004 0.000 0.353 130 F C 0.266 176.215 175.800 0.248 0.000 1.101 130 F CA -0.021 58.047 58.000 0.113 0.000 1.226 130 F CB 0.488 39.449 39.000 -0.064 0.000 1.140 130 F HN 0.613 nan 8.300 nan 0.000 0.557 131 Y N -0.469 119.958 120.300 0.212 0.000 2.638 131 Y HA 0.590 5.143 4.550 0.004 0.000 0.339 131 Y C -1.593 174.333 175.900 0.044 0.000 1.084 131 Y CA -2.026 56.164 58.100 0.151 0.000 1.068 131 Y CB 1.164 39.747 38.460 0.205 0.000 1.294 131 Y HN 0.431 nan 8.280 nan 0.000 0.480 132 D N 0.977 121.330 120.400 -0.079 0.000 2.461 132 D HA 0.163 4.806 4.640 0.004 0.000 0.240 132 D C 0.488 176.569 176.300 -0.366 0.000 1.094 132 D CA 0.023 53.905 54.000 -0.196 0.000 0.868 132 D CB 1.626 42.430 40.800 0.007 0.000 1.062 132 D HN 0.746 nan 8.370 nan 0.000 0.530 133 S N 2.681 118.170 115.700 -0.352 0.000 2.507 133 S HA -0.066 4.407 4.470 0.004 0.000 0.235 133 S C 1.018 175.475 174.600 -0.239 0.000 0.988 133 S CA 0.501 58.526 58.200 -0.293 0.000 0.944 133 S CB -0.281 62.990 63.200 0.119 0.000 0.762 133 S HN 0.531 nan 8.310 nan 0.000 0.526 134 N N 0.940 119.549 118.700 -0.151 0.000 2.412 134 N HA 0.251 4.994 4.740 0.004 0.000 0.184 134 N C 0.448 175.938 175.510 -0.035 0.000 1.101 134 N CA 0.604 53.641 53.050 -0.023 0.000 0.881 134 N CB 0.214 38.726 38.487 0.041 0.000 0.969 134 N HN 0.537 nan 8.380 nan 0.000 0.459 135 A N 0.025 122.745 122.820 -0.167 0.000 2.959 135 A HA 0.299 4.622 4.320 0.004 0.000 0.280 135 A C -0.052 177.493 177.584 -0.066 0.000 0.953 135 A CA -0.518 51.473 52.037 -0.078 0.000 1.047 135 A CB -0.527 18.444 19.000 -0.048 0.000 1.147 135 A HN 0.065 nan 8.150 nan 0.000 0.489 136 F N -0.416 119.616 119.950 0.136 0.000 2.604 136 F HA 0.119 4.648 4.527 0.004 0.000 0.298 136 F C 1.511 177.421 175.800 0.183 0.000 1.131 136 F CA 0.971 59.070 58.000 0.165 0.000 1.457 136 F CB 0.002 39.096 39.000 0.156 0.000 1.095 136 F HN 0.350 nan 8.300 nan 0.000 0.574 137 L N -0.691 120.676 121.223 0.241 0.000 2.667 137 L HA 0.046 4.389 4.340 0.004 0.000 0.232 137 L C 1.808 178.624 176.870 -0.090 0.000 1.138 137 L CA -0.255 54.641 54.840 0.093 0.000 0.921 137 L CB -0.068 42.026 42.059 0.058 0.000 1.180 137 L HN 0.021 nan 8.230 nan 0.000 0.487 138 I N 0.648 121.166 120.570 -0.088 0.000 2.163 138 I HA -0.304 3.868 4.170 0.004 0.000 0.243 138 I C 1.934 177.884 176.117 -0.277 0.000 1.085 138 I CA 1.711 62.882 61.300 -0.216 0.000 1.347 138 I CB -1.143 36.786 38.000 -0.118 0.000 1.044 138 I HN 0.357 nan 8.210 nan 0.000 0.408 139 N N -0.117 118.498 118.700 -0.142 0.000 2.142 139 N HA -0.135 4.608 4.740 0.004 0.000 0.186 139 N C 1.714 177.097 175.510 -0.212 0.000 1.023 139 N CA 1.851 54.822 53.050 -0.133 0.000 0.852 139 N CB -0.168 38.304 38.487 -0.025 0.000 0.998 139 N HN 0.311 nan 8.380 nan 0.000 0.424 140 T N 1.179 115.592 114.554 -0.234 0.000 2.684 140 T HA -0.142 4.210 4.350 0.004 0.000 0.267 140 T C 1.817 176.294 174.700 -0.372 0.000 1.036 140 T CA 0.786 62.711 62.100 -0.292 0.000 1.148 140 T CB -0.411 68.277 68.868 -0.299 0.000 0.863 140 T HN 0.110 nan 8.240 nan 0.000 0.436 141 L N 1.659 122.594 121.223 -0.480 0.000 1.970 141 L HA -0.088 4.254 4.340 0.004 0.000 0.212 141 L C 2.402 178.742 176.870 -0.884 0.000 1.071 141 L CA 2.067 56.467 54.840 -0.734 0.000 0.751 141 L CB -0.693 40.749 42.059 -1.028 0.000 0.889 141 L HN 0.161 nan 8.230 nan 0.000 0.432 142 K N -0.279 119.583 120.400 -0.898 0.000 2.009 142 K HA -0.241 4.081 4.320 0.004 0.000 0.210 142 K C 2.055 178.506 176.600 -0.248 0.000 1.049 142 K CA 2.110 58.057 56.287 -0.567 0.000 0.929 142 K CB -0.229 32.195 32.500 -0.127 0.000 0.714 142 K HN 0.346 nan 8.250 nan 0.000 0.440 143 K N -0.218 120.059 120.400 -0.205 0.000 2.281 143 K HA -0.107 4.215 4.320 0.004 0.000 0.203 143 K C 2.007 178.490 176.600 -0.196 0.000 1.046 143 K CA 1.659 57.867 56.287 -0.131 0.000 0.938 143 K CB -0.068 32.364 32.500 -0.113 0.000 0.737 143 K HN 0.277 nan 8.250 nan 0.000 0.458 144 T N 1.413 115.772 114.554 -0.326 0.000 2.852 144 T HA 0.009 4.362 4.350 0.004 0.000 0.256 144 T C 1.825 176.232 174.700 -0.488 0.000 1.038 144 T CA 0.500 62.343 62.100 -0.429 0.000 1.141 144 T CB 0.054 68.577 68.868 -0.574 0.000 0.869 144 T HN 0.013 nan 8.240 nan 0.000 0.439 145 I N 1.484 121.772 120.570 -0.470 0.000 2.163 145 I HA -0.113 4.060 4.170 0.004 0.000 0.243 145 I C 2.534 178.572 176.117 -0.131 0.000 1.085 145 I CA 1.208 62.353 61.300 -0.259 0.000 1.347 145 I CB -1.385 36.562 38.000 -0.089 0.000 1.044 145 I HN 0.103 nan 8.210 nan 0.000 0.408 146 V N 0.614 120.472 119.914 -0.094 0.000 2.358 146 V HA -0.237 3.886 4.120 0.004 0.000 0.246 146 V C 2.461 178.494 176.094 -0.102 0.000 1.047 146 V CA 1.578 63.844 62.300 -0.057 0.000 1.035 146 V CB -0.603 31.262 31.823 0.070 0.000 0.658 146 V HN 0.401 nan 8.190 nan 0.000 0.452 147 E N -0.149 119.984 120.200 -0.112 0.000 2.051 147 E HA -0.208 4.145 4.350 0.004 0.000 0.192 147 E C 2.451 178.998 176.600 -0.089 0.000 0.991 147 E CA 1.487 57.819 56.400 -0.114 0.000 0.799 147 E CB -0.293 29.347 29.700 -0.101 0.000 0.748 147 E HN 0.493 nan 8.360 nan 0.000 0.449 148 S N 0.224 115.881 115.700 -0.072 0.000 2.372 148 S HA -0.274 4.199 4.470 0.004 0.000 0.227 148 S C 2.051 176.650 174.600 -0.001 0.000 1.044 148 S CA 1.493 59.704 58.200 0.019 0.000 1.050 148 S CB -0.247 63.047 63.200 0.157 0.000 0.901 148 S HN 0.361 nan 8.310 nan 0.000 0.447 149 A N 0.333 123.122 122.820 -0.051 0.000 1.877 149 A HA -0.060 4.262 4.320 0.004 0.000 0.216 149 A C 2.401 179.902 177.584 -0.138 0.000 1.186 149 A CA 2.297 54.275 52.037 -0.097 0.000 0.620 149 A CB -1.664 17.242 19.000 -0.155 0.000 0.822 149 A HN 0.591 nan 8.150 nan 0.000 0.443 150 T N 0.653 115.106 114.554 -0.168 0.000 2.635 150 T HA -0.218 4.134 4.350 0.004 0.000 0.267 150 T C 1.761 176.458 174.700 -0.005 0.000 1.040 150 T CA 1.986 63.987 62.100 -0.165 0.000 1.156 150 T CB -0.671 68.004 68.868 -0.322 0.000 0.863 150 T HN 0.712 nan 8.240 nan 0.000 0.430 151 N N 0.939 119.650 118.700 0.018 0.000 2.084 151 N HA -0.120 4.622 4.740 0.004 0.000 0.190 151 N C 1.859 177.441 175.510 0.119 0.000 1.030 151 N CA 1.102 54.221 53.050 0.116 0.000 0.849 151 N CB -0.230 38.312 38.487 0.092 0.000 1.012 151 N HN 0.255 nan 8.380 nan 0.000 0.423 152 N N -0.003 118.738 118.700 0.067 0.000 2.137 152 N HA -0.156 4.586 4.740 0.004 0.000 0.190 152 N C 2.001 177.572 175.510 0.100 0.000 1.017 152 N CA 1.793 54.882 53.050 0.065 0.000 0.859 152 N CB -0.661 37.845 38.487 0.031 0.000 1.002 152 N HN 0.441 nan 8.380 nan 0.000 0.428 153 T N -1.658 112.955 114.554 0.098 0.000 2.937 153 T HA 0.059 4.411 4.350 0.004 0.000 0.260 153 T C 1.799 176.748 174.700 0.415 0.000 1.051 153 T CA 0.239 62.474 62.100 0.225 0.000 1.141 153 T CB -0.218 68.682 68.868 0.053 0.000 0.879 153 T HN -0.064 nan 8.240 nan 0.000 0.459 154 L N 1.479 122.877 121.223 0.292 0.000 2.191 154 L HA 0.134 4.477 4.340 0.004 0.000 0.212 154 L C 2.336 179.283 176.870 0.129 0.000 1.103 154 L CA 1.703 56.676 54.840 0.221 0.000 0.769 154 L CB -1.174 40.962 42.059 0.128 0.000 0.908 154 L HN 0.535 nan 8.230 nan 0.000 0.438 155 E N -1.219 119.062 120.200 0.135 0.000 2.479 155 E HA -0.048 4.305 4.350 0.004 0.000 0.193 155 E C 1.843 178.495 176.600 0.086 0.000 1.049 155 E CA 0.504 56.947 56.400 0.072 0.000 0.870 155 E CB 0.425 30.175 29.700 0.084 0.000 0.944 155 E HN 0.483 nan 8.360 nan 0.000 0.492 156 S N -0.731 115.071 115.700 0.170 0.000 2.483 156 S HA 0.073 4.545 4.470 0.004 0.000 0.221 156 S C 0.748 175.377 174.600 0.048 0.000 1.030 156 S CA -0.326 57.939 58.200 0.108 0.000 0.925 156 S CB -0.169 63.111 63.200 0.133 0.000 0.795 156 S HN 0.131 nan 8.310 nan 0.000 0.511 157 F N 2.540 122.537 119.950 0.078 0.000 2.669 157 F HA 0.505 5.036 4.527 0.008 0.000 0.353 157 F C 1.694 177.449 175.800 -0.076 0.000 1.192 157 F CA -0.627 57.404 58.000 0.052 0.000 1.317 157 F CB 0.101 39.263 39.000 0.270 0.000 1.652 157 F HN 0.151 nan 8.300 nan 0.000 0.608 158 R N 0.045 120.528 120.500 -0.029 0.000 2.167 158 R HA 0.088 4.430 4.340 0.004 0.000 0.195 158 R C 1.583 177.825 176.300 -0.098 0.000 1.027 158 R CA 0.322 56.380 56.100 -0.070 0.000 1.114 158 R CB 0.284 30.542 30.300 -0.070 0.000 1.075 158 R HN 0.072 nan 8.270 nan 0.000 0.538 159 E N 0.794 120.910 120.200 -0.140 0.000 2.502 159 E HA -0.012 4.340 4.350 0.004 0.000 0.194 159 E C -0.401 176.102 176.600 -0.161 0.000 1.062 159 E CA 0.453 56.773 56.400 -0.133 0.000 0.867 159 E CB 0.251 29.871 29.700 -0.134 0.000 0.888 159 E HN 0.379 nan 8.360 nan 0.000 0.510 160 N N 0.144 118.721 118.700 -0.204 0.000 2.571 160 N HA 0.106 4.849 4.740 0.004 0.000 0.298 160 N C 0.633 176.145 175.510 0.004 0.000 1.671 160 N CA -0.057 52.870 53.050 -0.205 0.000 0.900 160 N CB 0.651 38.753 38.487 -0.642 0.000 1.365 160 N HN -0.060 nan 8.380 nan 0.000 0.493 161 L N -0.049 121.191 121.223 0.028 0.000 2.131 161 L HA 0.180 4.523 4.340 0.004 0.000 0.206 161 L C 1.023 177.951 176.870 0.096 0.000 1.087 161 L CA 1.646 56.536 54.840 0.084 0.000 0.767 161 L CB 0.139 42.197 42.059 -0.001 0.000 0.917 161 L HN 0.179 nan 8.230 nan 0.000 0.441 162 N N -0.891 117.843 118.700 0.057 0.000 2.409 162 N HA 0.087 4.829 4.740 0.004 0.000 0.174 162 N C -0.507 175.055 175.510 0.086 0.000 1.037 162 N CA 0.426 53.511 53.050 0.058 0.000 0.898 162 N CB 0.213 38.713 38.487 0.021 0.000 1.010 162 N HN 0.310 nan 8.380 nan 0.000 0.445 163 D N -1.414 119.040 120.400 0.090 0.000 2.661 163 D HA 0.263 4.906 4.640 0.004 0.000 0.228 163 D C -1.990 174.390 176.300 0.132 0.000 1.210 163 D CA -0.996 53.065 54.000 0.102 0.000 0.826 163 D CB 3.468 44.305 40.800 0.061 0.000 1.542 163 D HN -0.104 nan 8.370 nan 0.000 0.447 164 P HA 0.201 nan 4.420 nan 0.000 0.186 164 P C 0.157 177.568 177.300 0.185 0.000 1.117 164 P CA 0.215 63.411 63.100 0.161 0.000 0.832 164 P CB 1.059 32.838 31.700 0.132 0.000 0.713 165 E N -0.483 119.810 120.200 0.156 0.000 2.338 165 E HA 0.219 4.571 4.350 0.004 0.000 0.231 165 E C -0.708 175.922 176.600 0.050 0.000 1.231 165 E CA -0.327 56.123 56.400 0.083 0.000 1.490 165 E CB -1.025 28.672 29.700 -0.005 0.000 1.360 165 E HN 0.276 nan 8.360 nan 0.000 0.435 166 F N 2.789 122.807 119.950 0.114 0.000 2.499 166 F HA 0.076 4.603 4.527 -0.001 0.000 0.353 166 F C 0.945 177.030 175.800 0.475 0.000 1.196 166 F CA -0.331 57.816 58.000 0.245 0.000 1.244 166 F CB 0.252 39.312 39.000 0.101 0.000 1.577 166 F HN 0.019 nan 8.300 nan 0.000 0.614 167 D N 0.875 121.474 120.400 0.332 0.000 2.904 167 D HA 0.027 4.669 4.640 0.004 0.000 0.290 167 D C 1.049 176.903 176.300 -0.743 0.000 1.180 167 D CA -0.526 53.439 54.000 -0.058 0.000 1.065 167 D CB -0.113 40.731 40.800 0.074 0.000 1.386 167 D HN 0.263 nan 8.370 nan 0.000 0.599 168 Y N -0.571 119.162 120.300 -0.944 0.000 2.483 168 Y HA 0.040 4.593 4.550 0.005 0.000 0.291 168 Y C 1.612 177.485 175.900 -0.046 0.000 1.143 168 Y CA 1.459 59.110 58.100 -0.749 0.000 1.289 168 Y CB -0.608 37.754 38.460 -0.163 0.000 0.983 168 Y HN 0.269 nan 8.280 nan 0.000 0.556 169 N N 0.981 119.348 118.700 -0.556 0.000 2.368 169 N HA -0.127 4.616 4.740 0.004 0.000 0.178 169 N C 1.664 177.144 175.510 -0.050 0.000 1.021 169 N CA 0.666 53.552 53.050 -0.272 0.000 0.875 169 N CB 0.039 38.257 38.487 -0.449 0.000 1.020 169 N HN 0.371 nan 8.380 nan 0.000 0.433 170 K N 0.144 120.506 120.400 -0.063 0.000 2.217 170 K HA -0.062 4.261 4.320 0.004 0.000 0.202 170 K C 1.843 178.588 176.600 0.242 0.000 1.051 170 K CA 0.613 56.943 56.287 0.071 0.000 0.952 170 K CB -0.343 32.184 32.500 0.046 0.000 0.736 170 K HN 0.094 nan 8.250 nan 0.000 0.453 171 F N 0.072 119.963 119.950 -0.098 0.000 2.051 171 F HA -0.181 4.348 4.527 0.003 0.000 0.296 171 F C 1.379 177.059 175.800 -0.200 0.000 1.122 171 F CA 1.619 59.400 58.000 -0.364 0.000 1.201 171 F CB -0.485 38.031 39.000 -0.806 0.000 0.978 171 F HN 0.029 nan 8.300 nan 0.000 0.472 172 Y N 0.306 120.565 120.300 -0.068 0.000 2.352 172 Y HA -0.094 4.458 4.550 0.004 0.000 0.292 172 Y C 2.633 178.464 175.900 -0.114 0.000 1.136 172 Y CA 1.367 59.402 58.100 -0.108 0.000 1.227 172 Y CB -0.551 37.961 38.460 0.086 0.000 0.991 172 Y HN -0.008 nan 8.280 nan 0.000 0.545 173 R N 0.366 120.911 120.500 0.075 0.000 2.062 173 R HA -0.148 4.195 4.340 0.004 0.000 0.231 173 R C 2.080 178.364 176.300 -0.026 0.000 1.136 173 R CA 1.705 57.832 56.100 0.045 0.000 0.948 173 R CB -0.181 30.158 30.300 0.064 0.000 0.845 173 R HN 0.320 nan 8.270 nan 0.000 0.430 174 K N -0.046 120.340 120.400 -0.024 0.000 2.062 174 K HA -0.095 4.228 4.320 0.004 0.000 0.205 174 K C 2.189 178.707 176.600 -0.138 0.000 1.051 174 K CA 0.757 57.032 56.287 -0.019 0.000 0.941 174 K CB -0.166 32.407 32.500 0.123 0.000 0.719 174 K HN 0.061 nan 8.250 nan 0.000 0.440 175 R N 0.845 121.149 120.500 -0.326 0.000 2.113 175 R HA -0.220 4.122 4.340 0.004 0.000 0.244 175 R C 2.332 178.435 176.300 -0.329 0.000 1.142 175 R CA 1.995 57.836 56.100 -0.433 0.000 0.953 175 R CB -0.222 29.606 30.300 -0.787 0.000 0.860 175 R HN 0.093 nan 8.270 nan 0.000 0.438 176 M N 1.258 120.669 119.600 -0.314 0.000 2.149 176 M HA -0.159 4.324 4.480 0.004 0.000 0.261 176 M C 1.462 177.417 176.300 -0.575 0.000 1.064 176 M CA 1.773 56.806 55.300 -0.444 0.000 1.102 176 M CB -0.154 32.171 32.600 -0.459 0.000 1.369 176 M HN 0.174 nan 8.290 nan 0.000 0.408 177 E N -0.593 119.393 120.200 -0.356 0.000 2.110 177 E HA -0.179 4.174 4.350 0.004 0.000 0.193 177 E C 1.892 178.451 176.600 -0.067 0.000 0.988 177 E CA 1.259 57.570 56.400 -0.149 0.000 0.804 177 E CB -0.130 29.578 29.700 0.014 0.000 0.745 177 E HN 0.418 nan 8.360 nan 0.000 0.458 178 I N 0.923 121.427 120.570 -0.109 0.000 2.202 178 I HA -0.225 3.948 4.170 0.004 0.000 0.242 178 I C 2.352 178.411 176.117 -0.096 0.000 1.091 178 I CA 1.212 62.468 61.300 -0.072 0.000 1.368 178 I CB -0.985 36.968 38.000 -0.079 0.000 1.058 178 I HN 0.155 nan 8.210 nan 0.000 0.410 179 I N 0.070 120.511 120.570 -0.216 0.000 2.118 179 I HA -0.406 3.766 4.170 0.004 0.000 0.241 179 I C 2.719 178.706 176.117 -0.217 0.000 1.070 179 I CA 1.853 62.967 61.300 -0.310 0.000 1.327 179 I CB -0.798 36.791 38.000 -0.686 0.000 1.034 179 I HN 0.124 nan 8.210 nan 0.000 0.405 180 Y N 2.123 122.240 120.300 -0.305 0.000 2.069 180 Y HA -0.387 4.166 4.550 0.004 0.000 0.278 180 Y C 2.347 178.241 175.900 -0.009 0.000 1.175 180 Y CA 2.130 60.147 58.100 -0.138 0.000 1.134 180 Y CB -0.460 37.977 38.460 -0.038 0.000 0.965 180 Y HN 0.238 nan 8.280 nan 0.000 0.498 181 D N 0.016 120.437 120.400 0.034 0.000 2.092 181 D HA -0.192 4.451 4.640 0.004 0.000 0.193 181 D C 2.091 178.410 176.300 0.031 0.000 0.994 181 D CA 1.919 55.934 54.000 0.024 0.000 0.828 181 D CB -0.256 40.593 40.800 0.082 0.000 0.963 181 D HN 0.445 nan 8.370 nan 0.000 0.450 182 K N 0.490 120.932 120.400 0.070 0.000 2.002 182 K HA -0.178 4.145 4.320 0.004 0.000 0.209 182 K C 2.255 179.029 176.600 0.290 0.000 1.048 182 K CA 0.972 57.385 56.287 0.210 0.000 0.930 182 K CB -0.226 32.401 32.500 0.211 0.000 0.714 182 K HN 0.139 nan 8.250 nan 0.000 0.438 183 Q N 1.547 121.435 119.800 0.146 0.000 2.061 183 Q HA -0.257 4.086 4.340 0.004 0.000 0.204 183 Q C 2.076 178.112 176.000 0.060 0.000 0.984 183 Q CA 1.967 57.847 55.803 0.128 0.000 0.846 183 Q CB 0.016 28.576 28.738 -0.297 0.000 0.902 183 Q HN 0.082 nan 8.270 nan 0.000 0.421 184 K N -0.501 119.810 120.400 -0.148 0.000 2.097 184 K HA -0.197 4.126 4.320 0.004 0.000 0.205 184 K C 2.088 178.708 176.600 0.032 0.000 1.050 184 K CA 1.512 57.695 56.287 -0.173 0.000 0.938 184 K CB -0.394 31.826 32.500 -0.467 0.000 0.718 184 K HN 0.385 nan 8.250 nan 0.000 0.442 185 H N -0.704 118.399 119.070 0.056 0.000 2.319 185 H HA -0.192 4.367 4.556 0.005 0.000 0.299 185 H C 1.829 177.293 175.328 0.227 0.000 1.092 185 H CA 2.166 58.314 56.048 0.168 0.000 1.302 185 H CB -0.182 29.716 29.762 0.228 0.000 1.373 185 H HN 0.337 nan 8.280 nan 0.000 0.497 186 F N 1.310 121.337 119.950 0.127 0.000 2.075 186 F HA -0.172 4.358 4.527 0.004 0.000 0.297 186 F C 2.556 178.335 175.800 -0.034 0.000 1.113 186 F CA 1.473 59.325 58.000 -0.246 0.000 1.218 186 F CB -0.735 38.062 39.000 -0.339 0.000 0.984 186 F HN 0.059 nan 8.300 nan 0.000 0.472 187 I N 0.498 121.027 120.570 -0.068 0.000 2.300 187 I HA -0.349 3.823 4.170 0.004 0.000 0.252 187 I C 1.894 177.944 176.117 -0.112 0.000 1.119 187 I CA 1.584 62.823 61.300 -0.101 0.000 1.384 187 I CB -0.619 37.385 38.000 0.007 0.000 1.062 187 I HN 0.202 nan 8.210 nan 0.000 0.426 188 D N -0.280 120.053 120.400 -0.112 0.000 2.123 188 D HA -0.191 4.451 4.640 0.004 0.000 0.200 188 D C 1.906 178.135 176.300 -0.119 0.000 0.976 188 D CA 1.116 55.058 54.000 -0.096 0.000 0.831 188 D CB -0.301 40.462 40.800 -0.063 0.000 0.974 188 D HN 0.348 nan 8.370 nan 0.000 0.469 189 Y N 0.740 120.874 120.300 -0.277 0.000 2.097 189 Y HA -0.334 4.218 4.550 0.004 0.000 0.282 189 Y C 2.352 178.111 175.900 -0.235 0.000 1.152 189 Y CA 1.604 59.572 58.100 -0.219 0.000 1.136 189 Y CB -0.771 37.602 38.460 -0.145 0.000 0.975 189 Y HN -0.004 nan 8.280 nan 0.000 0.498 190 Y N 1.486 121.431 120.300 -0.592 0.000 2.081 190 Y HA -0.294 4.259 4.550 0.004 0.000 0.280 190 Y C 2.207 177.897 175.900 -0.350 0.000 1.163 190 Y CA 2.451 60.212 58.100 -0.564 0.000 1.135 190 Y CB -0.585 37.449 38.460 -0.710 0.000 0.970 190 Y HN -0.005 nan 8.280 nan 0.000 0.498 191 K N 0.242 120.329 120.400 -0.522 0.000 2.097 191 K HA -0.155 4.168 4.320 0.004 0.000 0.206 191 K C 2.479 178.853 176.600 -0.376 0.000 1.049 191 K CA 1.548 57.529 56.287 -0.509 0.000 0.933 191 K CB -0.843 31.505 32.500 -0.254 0.000 0.717 191 K HN 0.572 nan 8.250 nan 0.000 0.442 192 S N 0.920 116.435 115.700 -0.308 0.000 2.406 192 S HA -0.102 4.371 4.470 0.004 0.000 0.228 192 S C 1.902 176.349 174.600 -0.255 0.000 1.020 192 S CA 0.537 58.597 58.200 -0.233 0.000 0.965 192 S CB -0.012 63.093 63.200 -0.159 0.000 0.798 192 S HN 0.157 nan 8.310 nan 0.000 0.488 193 Q N 1.549 121.125 119.800 -0.374 0.000 2.135 193 Q HA -0.062 4.281 4.340 0.004 0.000 0.204 193 Q C 2.394 178.309 176.000 -0.143 0.000 0.981 193 Q CA 1.757 57.409 55.803 -0.253 0.000 0.856 193 Q CB -0.661 27.866 28.738 -0.351 0.000 0.902 193 Q HN 0.964 nan 8.270 nan 0.000 0.425 194 I N -1.190 119.218 120.570 -0.270 0.000 2.761 194 I HA -0.099 4.073 4.170 0.004 0.000 0.261 194 I C 2.128 178.145 176.117 -0.167 0.000 1.198 194 I CA 1.246 62.417 61.300 -0.216 0.000 1.482 194 I CB -0.449 37.349 38.000 -0.336 0.000 1.100 194 I HN 0.095 nan 8.210 nan 0.000 0.445 195 E N 1.776 121.874 120.200 -0.171 0.000 2.230 195 E HA -0.206 4.147 4.350 0.004 0.000 0.192 195 E C 1.797 178.335 176.600 -0.103 0.000 0.987 195 E CA 0.827 57.152 56.400 -0.126 0.000 0.841 195 E CB -0.177 29.453 29.700 -0.118 0.000 0.783 195 E HN 0.772 nan 8.360 nan 0.000 0.481 196 E N 1.229 121.368 120.200 -0.101 0.000 2.022 196 E HA -0.033 4.320 4.350 0.004 0.000 0.190 196 E C 0.147 176.676 176.600 -0.118 0.000 0.973 196 E CA 0.489 56.840 56.400 -0.081 0.000 0.816 196 E CB 0.269 29.942 29.700 -0.046 0.000 0.781 196 E HN 0.134 nan 8.360 nan 0.000 0.456 197 N N -0.070 118.538 118.700 -0.153 0.000 2.531 197 N HA 0.187 4.930 4.740 0.004 0.000 0.268 197 N C -2.424 172.952 175.510 -0.223 0.000 1.023 197 N CA -1.628 51.237 53.050 -0.308 0.000 0.896 197 N CB 1.778 39.812 38.487 -0.756 0.000 1.233 197 N HN -0.064 nan 8.380 nan 0.000 0.512 198 P HA 0.033 nan 4.420 nan 0.000 0.245 198 P C 0.128 177.395 177.300 -0.055 0.000 1.212 198 P CA 0.685 63.733 63.100 -0.086 0.000 0.774 198 P CB 0.375 32.026 31.700 -0.080 0.000 0.999 199 E N -1.165 118.966 120.200 -0.115 0.000 2.190 199 E HA 0.015 4.367 4.350 0.004 0.000 0.191 199 E C 0.124 176.761 176.600 0.062 0.000 0.978 199 E CA -0.049 56.316 56.400 -0.058 0.000 0.839 199 E CB -0.191 29.440 29.700 -0.115 0.000 0.787 199 E HN 0.116 nan 8.360 nan 0.000 0.473 200 F N 1.958 121.923 119.950 0.024 0.000 2.579 200 F HA -0.065 4.465 4.527 0.004 0.000 0.397 200 F C 0.924 176.765 175.800 0.068 0.000 1.027 200 F CA -0.273 57.754 58.000 0.045 0.000 1.217 200 F CB -0.423 38.598 39.000 0.034 0.000 0.986 200 F HN -0.019 nan 8.300 nan 0.000 0.551 201 I N 1.883 122.633 120.570 0.300 0.000 2.713 201 I HA 0.297 4.470 4.170 0.004 0.000 0.300 201 I C 1.096 177.334 176.117 0.201 0.000 1.009 201 I CA -0.647 60.778 61.300 0.207 0.000 1.305 201 I CB 0.680 38.779 38.000 0.164 0.000 1.430 201 I HN 0.565 nan 8.210 nan 0.000 0.546 202 I N 1.695 122.377 120.570 0.187 0.000 2.113 202 I HA -0.280 3.893 4.170 0.004 0.000 0.242 202 I C 1.852 178.070 176.117 0.169 0.000 1.064 202 I CA 1.870 63.284 61.300 0.189 0.000 1.320 202 I CB -0.526 37.552 38.000 0.129 0.000 1.028 202 I HN 0.745 nan 8.210 nan 0.000 0.406 203 D N 0.295 120.777 120.400 0.137 0.000 2.182 203 D HA -0.200 4.443 4.640 0.004 0.000 0.201 203 D C 1.883 178.262 176.300 0.131 0.000 0.986 203 D CA 1.188 55.270 54.000 0.136 0.000 0.847 203 D CB -0.446 40.453 40.800 0.164 0.000 0.942 203 D HN 0.304 nan 8.370 nan 0.000 0.467 204 N N 0.640 119.407 118.700 0.112 0.000 2.216 204 N HA -0.105 4.638 4.740 0.004 0.000 0.183 204 N C 1.763 177.294 175.510 0.035 0.000 1.017 204 N CA 0.588 53.663 53.050 0.042 0.000 0.861 204 N CB -0.118 38.358 38.487 -0.020 0.000 0.986 204 N HN 0.078 nan 8.380 nan 0.000 0.428 205 I N 0.640 121.275 120.570 0.108 0.000 2.163 205 I HA -0.240 3.933 4.170 0.004 0.000 0.243 205 I C 1.784 178.152 176.117 0.419 0.000 1.085 205 I CA 0.904 62.366 61.300 0.269 0.000 1.347 205 I CB -1.028 37.169 38.000 0.327 0.000 1.044 205 I HN 0.119 nan 8.210 nan 0.000 0.408 206 I N 1.843 122.601 120.570 0.313 0.000 2.142 206 I HA -0.270 3.902 4.170 0.004 0.000 0.240 206 I C 2.659 178.904 176.117 0.214 0.000 1.078 206 I CA 1.653 63.098 61.300 0.242 0.000 1.343 206 I CB -1.403 36.618 38.000 0.036 0.000 1.046 206 I HN 0.401 nan 8.210 nan 0.000 0.405 207 K N 0.206 120.694 120.400 0.148 0.000 2.148 207 K HA -0.087 4.235 4.320 0.004 0.000 0.204 207 K C 1.859 178.522 176.600 0.106 0.000 1.050 207 K CA 1.642 57.991 56.287 0.103 0.000 0.942 207 K CB -0.829 31.719 32.500 0.080 0.000 0.724 207 K HN 0.163 nan 8.250 nan 0.000 0.446 208 T N 0.658 115.292 114.554 0.133 0.000 2.746 208 T HA -0.182 4.171 4.350 0.004 0.000 0.267 208 T C 1.479 176.228 174.700 0.081 0.000 1.039 208 T CA 1.356 63.519 62.100 0.105 0.000 1.142 208 T CB -0.441 68.513 68.868 0.143 0.000 0.866 208 T HN 0.336 nan 8.240 nan 0.000 0.444 209 Y N 1.504 121.825 120.300 0.035 0.000 2.145 209 Y HA -0.050 4.502 4.550 0.004 0.000 0.286 209 Y C 2.064 177.988 175.900 0.040 0.000 1.145 209 Y CA 1.174 59.245 58.100 -0.047 0.000 1.148 209 Y CB -0.406 38.165 38.460 0.184 0.000 0.981 209 Y HN 0.105 nan 8.280 nan 0.000 0.507 210 L N -1.264 120.059 121.223 0.167 0.000 2.093 210 L HA -0.203 4.140 4.340 0.004 0.000 0.208 210 L C 2.756 179.649 176.870 0.039 0.000 1.085 210 L CA 1.514 56.425 54.840 0.119 0.000 0.755 210 L CB -0.660 41.433 42.059 0.056 0.000 0.904 210 L HN 0.214 nan 8.230 nan 0.000 0.435 211 S N -0.084 115.619 115.700 0.004 0.000 2.355 211 S HA -0.129 4.343 4.470 0.004 0.000 0.222 211 S C 1.795 176.350 174.600 -0.075 0.000 1.031 211 S CA 1.222 59.409 58.200 -0.022 0.000 0.993 211 S CB -0.097 63.099 63.200 -0.008 0.000 0.859 211 S HN 0.428 nan 8.310 nan 0.000 0.453 212 N N 0.648 119.272 118.700 -0.126 0.000 2.354 212 N HA 0.020 4.763 4.740 0.004 0.000 0.179 212 N C 1.493 176.844 175.510 -0.265 0.000 1.021 212 N CA 0.948 53.892 53.050 -0.177 0.000 0.887 212 N CB -0.057 38.313 38.487 -0.195 0.000 0.974 212 N HN 0.564 nan 8.380 nan 0.000 0.437 213 E N -0.961 119.011 120.200 -0.380 0.000 2.332 213 E HA 0.074 4.426 4.350 0.004 0.000 0.202 213 E C 0.498 176.712 176.600 -0.644 0.000 0.877 213 E CA 0.379 56.437 56.400 -0.569 0.000 0.979 213 E CB 0.037 29.207 29.700 -0.883 0.000 0.969 213 E HN 0.374 nan 8.360 nan 0.000 0.495 214 Y N 0.971 121.152 120.300 -0.199 0.000 2.584 214 Y HA 0.177 4.730 4.550 0.004 0.000 0.254 214 Y C 0.392 176.231 175.900 -0.102 0.000 1.177 214 Y CA -0.157 57.864 58.100 -0.131 0.000 1.216 214 Y CB 0.596 38.988 38.460 -0.114 0.000 1.172 214 Y HN -0.167 nan 8.280 nan 0.000 0.529 215 S N 0.212 115.899 115.700 -0.022 0.000 3.533 215 S HA -0.194 4.278 4.470 0.004 0.000 0.347 215 S C 0.243 174.842 174.600 -0.001 0.000 1.101 215 S CA 0.422 58.608 58.200 -0.024 0.000 1.009 215 S CB -1.153 62.026 63.200 -0.035 0.000 0.916 215 S HN 0.276 nan 8.310 nan 0.000 0.496 216 K N 1.715 122.123 120.400 0.014 0.000 2.276 216 K HA 0.192 4.515 4.320 0.004 0.000 0.259 216 K C 0.173 176.769 176.600 -0.006 0.000 1.001 216 K CA -0.251 56.036 56.287 -0.000 0.000 0.927 216 K CB 0.291 32.788 32.500 -0.005 0.000 0.969 216 K HN 0.286 nan 8.250 nan 0.000 0.490 217 D N 1.869 122.263 120.400 -0.010 0.000 2.347 217 D HA 0.111 4.754 4.640 0.004 0.000 0.235 217 D C 1.121 177.424 176.300 0.005 0.000 1.149 217 D CA -0.142 53.856 54.000 -0.004 0.000 0.850 217 D CB 0.592 41.388 40.800 -0.006 0.000 1.061 217 D HN 0.312 nan 8.370 nan 0.000 0.487 218 L N 3.090 124.320 121.223 0.010 0.000 1.989 218 L HA -0.206 4.137 4.340 0.004 0.000 0.211 218 L C 2.004 178.890 176.870 0.027 0.000 1.071 218 L CA 1.317 56.170 54.840 0.022 0.000 0.749 218 L CB -0.226 41.845 42.059 0.021 0.000 0.890 218 L HN 0.425 nan 8.230 nan 0.000 0.431 219 E N -0.049 120.164 120.200 0.021 0.000 2.086 219 E HA -0.268 4.085 4.350 0.004 0.000 0.200 219 E C 2.194 178.811 176.600 0.028 0.000 1.012 219 E CA 1.623 58.037 56.400 0.023 0.000 0.812 219 E CB -0.444 29.265 29.700 0.015 0.000 0.743 219 E HN 0.510 nan 8.360 nan 0.000 0.453 220 A N 0.264 123.098 122.820 0.023 0.000 1.873 220 A HA -0.135 4.188 4.320 0.004 0.000 0.215 220 A C 2.255 179.870 177.584 0.052 0.000 1.186 220 A CA 1.225 53.278 52.037 0.027 0.000 0.616 220 A CB -0.715 18.290 19.000 0.008 0.000 0.823 220 A HN 0.206 nan 8.150 nan 0.000 0.442 221 L N -0.122 121.128 121.223 0.045 0.000 1.989 221 L HA -0.259 4.084 4.340 0.004 0.000 0.211 221 L C 2.404 179.341 176.870 0.111 0.000 1.071 221 L CA 1.520 56.403 54.840 0.072 0.000 0.749 221 L CB -0.739 41.349 42.059 0.048 0.000 0.890 221 L HN 0.371 nan 8.230 nan 0.000 0.431 222 N N 0.186 118.934 118.700 0.080 0.000 2.104 222 N HA -0.183 4.560 4.740 0.004 0.000 0.190 222 N C 1.731 177.276 175.510 0.058 0.000 1.024 222 N CA 1.259 54.354 53.050 0.074 0.000 0.853 222 N CB -0.185 38.335 38.487 0.055 0.000 1.008 222 N HN 0.384 nan 8.380 nan 0.000 0.424 223 K N -0.053 120.380 120.400 0.055 0.000 2.026 223 K HA -0.172 4.151 4.320 0.004 0.000 0.208 223 K C 2.006 178.622 176.600 0.027 0.000 1.048 223 K CA 0.995 57.300 56.287 0.031 0.000 0.929 223 K CB -0.446 32.073 32.500 0.032 0.000 0.713 223 K HN 0.219 nan 8.250 nan 0.000 0.439 224 Y N 1.890 122.165 120.300 -0.042 0.000 2.207 224 Y HA -0.218 4.335 4.550 0.005 0.000 0.287 224 Y C 1.946 177.776 175.900 -0.117 0.000 1.156 224 Y CA 1.301 59.363 58.100 -0.064 0.000 1.182 224 Y CB -0.189 38.249 38.460 -0.037 0.000 0.979 224 Y HN -0.035 nan 8.280 nan 0.000 0.521 225 I N 0.108 120.659 120.570 -0.032 0.000 2.252 225 I HA -0.274 3.898 4.170 0.004 0.000 0.245 225 I C 2.551 178.483 176.117 -0.309 0.000 1.102 225 I CA 1.841 63.059 61.300 -0.137 0.000 1.385 225 I CB -0.435 37.643 38.000 0.129 0.000 1.064 225 I HN 0.323 nan 8.210 nan 0.000 0.414 226 E N 1.283 121.383 120.200 -0.167 0.000 2.077 226 E HA -0.262 4.090 4.350 0.004 0.000 0.193 226 E C 1.948 178.404 176.600 -0.240 0.000 0.989 226 E CA 1.436 57.746 56.400 -0.151 0.000 0.800 226 E CB 0.003 29.661 29.700 -0.070 0.000 0.746 226 E HN 0.505 nan 8.360 nan 0.000 0.452 227 E N -0.041 119.990 120.200 -0.283 0.000 2.152 227 E HA -0.086 4.266 4.350 0.004 0.000 0.192 227 E C 2.180 178.522 176.600 -0.429 0.000 0.983 227 E CA 1.020 57.243 56.400 -0.295 0.000 0.818 227 E CB 0.174 29.729 29.700 -0.241 0.000 0.758 227 E HN 0.184 nan 8.360 nan 0.000 0.467 228 S N 1.156 116.448 115.700 -0.680 0.000 2.345 228 S HA -0.130 4.342 4.470 0.004 0.000 0.219 228 S C 1.934 176.051 174.600 -0.805 0.000 1.031 228 S CA 0.571 58.260 58.200 -0.852 0.000 0.984 228 S CB -0.251 62.174 63.200 -1.292 0.000 0.874 228 S HN 0.137 nan 8.310 nan 0.000 0.451 229 L N 3.068 123.782 121.223 -0.847 0.000 2.013 229 L HA -0.146 4.197 4.340 0.004 0.000 0.212 229 L C 1.667 178.392 176.870 -0.243 0.000 1.073 229 L CA 1.815 56.425 54.840 -0.384 0.000 0.753 229 L CB -0.951 41.045 42.059 -0.105 0.000 0.890 229 L HN 0.143 nan 8.230 nan 0.000 0.432 230 N N -0.189 118.376 118.700 -0.225 0.000 2.166 230 N HA -0.211 4.531 4.740 0.004 0.000 0.186 230 N C 1.829 177.236 175.510 -0.171 0.000 1.019 230 N CA 1.404 54.360 53.050 -0.157 0.000 0.856 230 N CB -0.288 38.121 38.487 -0.130 0.000 0.993 230 N HN 0.474 nan 8.380 nan 0.000 0.426 231 K N 0.384 120.650 120.400 -0.223 0.000 2.031 231 K HA -0.032 4.291 4.320 0.004 0.000 0.205 231 K C 1.949 178.431 176.600 -0.196 0.000 1.049 231 K CA 0.626 56.795 56.287 -0.197 0.000 0.939 231 K CB -0.134 32.238 32.500 -0.214 0.000 0.717 231 K HN -0.014 nan 8.250 nan 0.000 0.438 232 I N 1.255 121.670 120.570 -0.259 0.000 2.252 232 I HA -0.229 3.944 4.170 0.004 0.000 0.245 232 I C 1.867 177.852 176.117 -0.221 0.000 1.102 232 I CA 1.679 62.808 61.300 -0.285 0.000 1.385 232 I CB -0.451 37.232 38.000 -0.530 0.000 1.064 232 I HN 0.157 nan 8.210 nan 0.000 0.414 233 T N 0.935 115.368 114.554 -0.202 0.000 2.665 233 T HA -0.236 4.116 4.350 0.004 0.000 0.268 233 T C 1.891 176.557 174.700 -0.058 0.000 1.035 233 T CA 1.747 63.800 62.100 -0.079 0.000 1.151 233 T CB -0.631 68.209 68.868 -0.048 0.000 0.862 233 T HN 0.540 nan 8.240 nan 0.000 0.438 234 A N 1.555 124.328 122.820 -0.078 0.000 2.070 234 A HA -0.055 4.267 4.320 0.004 0.000 0.220 234 A C 1.863 179.411 177.584 -0.059 0.000 1.159 234 A CA 1.102 53.102 52.037 -0.063 0.000 0.656 234 A CB -0.277 18.679 19.000 -0.073 0.000 0.800 234 A HN 0.476 nan 8.150 nan 0.000 0.453 235 N N 0.172 118.828 118.700 -0.073 0.000 2.273 235 N HA 0.039 4.782 4.740 0.004 0.000 0.231 235 N C -0.813 174.669 175.510 -0.046 0.000 1.134 235 N CA 0.142 53.152 53.050 -0.067 0.000 0.856 235 N CB -0.144 38.288 38.487 -0.093 0.000 1.068 235 N HN 0.578 nan 8.380 nan 0.000 0.510 236 N N 0.321 119.004 118.700 -0.029 0.000 2.714 236 N HA -0.179 4.564 4.740 0.004 0.000 0.252 236 N C 0.570 176.082 175.510 0.004 0.000 1.014 236 N CA 0.294 53.341 53.050 -0.005 0.000 0.735 236 N CB -0.981 37.505 38.487 -0.002 0.000 0.924 236 N HN 0.297 nan 8.380 nan 0.000 0.540 237 G N 0.238 109.052 108.800 0.024 0.000 2.684 237 G HA2 0.240 4.203 3.960 0.004 0.000 0.255 237 G HA3 0.240 4.203 3.960 0.004 0.000 0.255 237 G C -0.116 174.899 174.900 0.191 0.000 1.219 237 G CA -0.436 44.728 45.100 0.106 0.000 0.901 237 G HN 0.392 nan 8.290 nan 0.000 0.548 238 N N 0.544 119.333 118.700 0.148 0.000 2.504 238 N HA 0.126 4.869 4.740 0.004 0.000 0.280 238 N C -1.664 173.751 175.510 -0.158 0.000 1.052 238 N CA -0.590 52.417 53.050 -0.070 0.000 0.887 238 N CB 2.260 40.464 38.487 -0.472 0.000 1.323 238 N HN 0.402 nan 8.380 nan 0.000 0.509 239 D N 2.316 122.524 120.400 -0.319 0.000 2.343 239 D HA 0.092 4.734 4.640 0.004 0.000 0.255 239 D C 1.473 177.613 176.300 -0.265 0.000 1.187 239 D CA -0.404 53.187 54.000 -0.682 0.000 0.875 239 D CB 0.974 41.509 40.800 -0.442 0.000 1.136 239 D HN 0.546 nan 8.370 nan 0.000 0.469 240 I N 1.356 121.769 120.570 -0.261 0.000 3.176 240 I HA 0.007 4.179 4.170 0.004 0.000 0.275 240 I C 1.458 177.551 176.117 -0.040 0.000 1.298 240 I CA 0.274 61.461 61.300 -0.188 0.000 1.445 240 I CB 0.008 37.766 38.000 -0.404 0.000 1.075 240 I HN 0.033 nan 8.210 nan 0.000 0.482 241 R N 1.804 122.257 120.500 -0.078 0.000 2.313 241 R HA 0.106 4.448 4.340 0.004 0.000 0.199 241 R C 0.844 177.156 176.300 0.020 0.000 0.958 241 R CA 0.213 56.309 56.100 -0.006 0.000 1.047 241 R CB -0.633 29.650 30.300 -0.028 0.000 0.955 241 R HN 0.625 nan 8.270 nan 0.000 0.481 242 N N 0.551 119.263 118.700 0.020 0.000 2.319 242 N HA 0.014 4.756 4.740 0.004 0.000 0.189 242 N C 0.797 176.357 175.510 0.083 0.000 1.042 242 N CA 0.302 53.379 53.050 0.045 0.000 0.879 242 N CB -0.039 38.469 38.487 0.035 0.000 1.052 242 N HN 0.050 nan 8.380 nan 0.000 0.446 243 L N 2.475 123.771 121.223 0.122 0.000 2.367 243 L HA 0.091 4.433 4.340 0.004 0.000 0.275 243 L C 1.108 178.113 176.870 0.225 0.000 1.129 243 L CA -0.099 54.837 54.840 0.159 0.000 0.839 243 L CB 0.651 42.798 42.059 0.147 0.000 1.133 243 L HN 0.355 nan 8.230 nan 0.000 0.453 244 E N 1.675 121.934 120.200 0.098 0.000 2.465 244 E HA 0.014 4.366 4.350 0.004 0.000 0.195 244 E C 0.952 177.511 176.600 -0.069 0.000 1.028 244 E CA -0.116 56.275 56.400 -0.014 0.000 0.899 244 E CB 0.440 30.130 29.700 -0.017 0.000 1.032 244 E HN 0.554 nan 8.360 nan 0.000 0.468 245 K N 0.837 121.240 120.400 0.004 0.000 2.286 245 K HA 0.030 4.353 4.320 0.004 0.000 0.203 245 K C 1.658 178.231 176.600 -0.046 0.000 1.078 245 K CA 0.415 56.690 56.287 -0.019 0.000 0.957 245 K CB -0.079 32.439 32.500 0.030 0.000 1.018 245 K HN 0.220 nan 8.250 nan 0.000 0.484 246 F N 1.431 121.328 119.950 -0.090 0.000 2.380 246 F HA -0.085 4.445 4.527 0.004 0.000 0.299 246 F C 0.958 176.683 175.800 -0.126 0.000 1.064 246 F CA 0.803 58.727 58.000 -0.127 0.000 1.432 246 F CB -0.520 38.365 39.000 -0.191 0.000 1.089 246 F HN -0.111 nan 8.300 nan 0.000 0.562 247 A N 2.016 124.310 122.820 -0.876 0.000 2.810 247 A HA 0.032 4.354 4.320 0.004 0.000 0.247 247 A C 0.065 177.409 177.584 -0.400 0.000 1.576 247 A CA 0.011 51.541 52.037 -0.844 0.000 1.294 247 A CB -1.814 16.801 19.000 -0.642 0.000 0.976 247 A HN 0.575 nan 8.150 nan 0.000 0.631 248 D N -0.271 119.950 120.400 -0.298 0.000 2.348 248 D HA 0.033 4.675 4.640 0.004 0.000 0.253 248 D C 0.156 176.349 176.300 -0.177 0.000 1.161 248 D CA -0.338 53.553 54.000 -0.182 0.000 0.876 248 D CB 1.151 41.878 40.800 -0.122 0.000 1.160 248 D HN 0.177 nan 8.370 nan 0.000 0.459 249 E N 1.504 121.621 120.200 -0.139 0.000 2.482 249 E HA -0.070 4.282 4.350 0.004 0.000 0.196 249 E C 0.545 177.091 176.600 -0.089 0.000 1.047 249 E CA 0.340 56.666 56.400 -0.123 0.000 0.869 249 E CB 0.307 29.946 29.700 -0.101 0.000 0.836 249 E HN 0.533 nan 8.360 nan 0.000 0.520 250 D N 0.230 120.581 120.400 -0.082 0.000 2.183 250 D HA -0.019 4.624 4.640 0.004 0.000 0.205 250 D C 2.113 178.365 176.300 -0.079 0.000 0.962 250 D CA 0.157 54.115 54.000 -0.069 0.000 0.849 250 D CB 0.048 40.813 40.800 -0.058 0.000 0.978 250 D HN 0.169 nan 8.370 nan 0.000 0.488 251 L N 0.839 122.011 121.223 -0.085 0.000 2.079 251 L HA -0.162 4.180 4.340 0.004 0.000 0.210 251 L C 2.441 179.292 176.870 -0.031 0.000 1.081 251 L CA 0.785 55.581 54.840 -0.073 0.000 0.752 251 L CB -0.209 41.813 42.059 -0.061 0.000 0.896 251 L HN -0.044 nan 8.230 nan 0.000 0.433 252 V N -0.325 119.553 119.914 -0.060 0.000 2.295 252 V HA -0.309 3.814 4.120 0.004 0.000 0.246 252 V C 2.630 178.764 176.094 0.066 0.000 1.049 252 V CA 1.970 64.265 62.300 -0.007 0.000 1.024 252 V CB -0.680 31.076 31.823 -0.112 0.000 0.648 252 V HN 0.483 nan 8.190 nan 0.000 0.447 253 R N -0.065 120.436 120.500 0.003 0.000 2.083 253 R HA -0.168 4.175 4.340 0.004 0.000 0.237 253 R C 2.287 178.576 176.300 -0.018 0.000 1.137 253 R CA 1.835 57.938 56.100 0.004 0.000 0.951 253 R CB -0.321 29.966 30.300 -0.021 0.000 0.851 253 R HN 0.458 nan 8.270 nan 0.000 0.434 254 L N -0.506 120.667 121.223 -0.083 0.000 2.056 254 L HA -0.192 4.150 4.340 0.004 0.000 0.207 254 L C 2.492 179.282 176.870 -0.134 0.000 1.078 254 L CA 1.407 56.111 54.840 -0.225 0.000 0.749 254 L CB -0.789 41.008 42.059 -0.437 0.000 0.901 254 L HN 0.284 nan 8.230 nan 0.000 0.433 255 Y N 1.444 121.664 120.300 -0.132 0.000 2.151 255 Y HA -0.301 4.252 4.550 0.005 0.000 0.284 255 Y C 2.503 178.388 175.900 -0.025 0.000 1.166 255 Y CA 1.824 59.887 58.100 -0.061 0.000 1.163 255 Y CB -0.282 38.175 38.460 -0.004 0.000 0.974 255 Y HN 0.220 nan 8.280 nan 0.000 0.511 256 N N 0.207 118.889 118.700 -0.030 0.000 2.270 256 N HA -0.189 4.554 4.740 0.004 0.000 0.181 256 N C 1.895 177.347 175.510 -0.095 0.000 1.016 256 N CA 1.291 54.289 53.050 -0.087 0.000 0.870 256 N CB -0.409 38.133 38.487 0.091 0.000 0.979 256 N HN 0.613 nan 8.380 nan 0.000 0.431 257 Q N 1.126 120.896 119.800 -0.050 0.000 2.030 257 Q HA -0.156 4.187 4.340 0.004 0.000 0.204 257 Q C 1.329 177.304 176.000 -0.043 0.000 0.986 257 Q CA 1.302 57.095 55.803 -0.016 0.000 0.843 257 Q CB 0.150 28.897 28.738 0.016 0.000 0.904 257 Q HN 0.197 nan 8.270 nan 0.000 0.420 258 E N 0.420 120.576 120.200 -0.075 0.000 2.110 258 E HA -0.175 4.178 4.350 0.004 0.000 0.193 258 E C 2.052 178.575 176.600 -0.130 0.000 0.988 258 E CA 0.723 57.083 56.400 -0.067 0.000 0.804 258 E CB -0.249 29.426 29.700 -0.041 0.000 0.745 258 E HN 0.323 nan 8.360 nan 0.000 0.458 259 L N 0.228 121.298 121.223 -0.255 0.000 1.988 259 L HA -0.127 4.216 4.340 0.004 0.000 0.207 259 L C 2.154 179.000 176.870 -0.040 0.000 1.071 259 L CA 1.514 56.193 54.840 -0.267 0.000 0.744 259 L CB -0.261 41.453 42.059 -0.575 0.000 0.893 259 L HN -0.093 nan 8.230 nan 0.000 0.433 260 V N -1.308 118.570 119.914 -0.060 0.000 3.085 260 V HA 0.051 4.173 4.120 0.004 0.000 0.245 260 V C 2.149 178.329 176.094 0.143 0.000 1.114 260 V CA 0.943 63.254 62.300 0.019 0.000 1.108 260 V CB -0.155 31.473 31.823 -0.325 0.000 0.798 260 V HN 0.401 nan 8.190 nan 0.000 0.471 261 E N 0.481 120.648 120.200 -0.054 0.000 2.057 261 E HA 0.008 4.361 4.350 0.004 0.000 0.190 261 E C 2.035 178.326 176.600 -0.515 0.000 0.969 261 E CA 0.462 56.769 56.400 -0.154 0.000 0.812 261 E CB 0.033 29.696 29.700 -0.062 0.000 0.777 261 E HN 0.333 nan 8.360 nan 0.000 0.455 262 R N 0.031 120.319 120.500 -0.354 0.000 2.312 262 R HA -0.000 4.342 4.340 0.004 0.000 0.205 262 R C -0.021 176.059 176.300 -0.365 0.000 0.904 262 R CA -0.021 55.819 56.100 -0.433 0.000 1.052 262 R CB -0.226 29.919 30.300 -0.258 0.000 1.014 262 R HN 0.294 nan 8.270 nan 0.000 0.503 263 W N 0.881 122.125 121.300 -0.094 0.000 5.510 263 W HA -0.251 4.411 4.660 0.004 0.000 0.351 263 W C 0.039 176.466 176.519 -0.154 0.000 1.243 263 W CA 0.170 57.441 57.345 -0.123 0.000 0.922 263 W CB -2.892 26.517 29.460 -0.085 0.000 2.318 263 W HN 0.149 nan 8.180 nan 0.000 1.603 264 N N 1.704 120.391 118.700 -0.021 0.000 2.602 264 N HA 0.181 4.923 4.740 0.004 0.000 0.238 264 N C 0.790 176.265 175.510 -0.058 0.000 1.084 264 N CA -0.145 52.860 53.050 -0.074 0.000 0.952 264 N CB 0.383 38.794 38.487 -0.126 0.000 1.244 264 N HN -0.155 nan 8.380 nan 0.000 0.512 265 L N 2.248 123.431 121.223 -0.067 0.000 2.291 265 L HA 0.047 4.389 4.340 0.004 0.000 0.214 265 L C 2.097 178.923 176.870 -0.072 0.000 1.120 265 L CA 0.886 55.665 54.840 -0.101 0.000 0.799 265 L CB -1.732 40.221 42.059 -0.178 0.000 0.925 265 L HN 0.573 nan 8.230 nan 0.000 0.446 266 A N -0.003 122.791 122.820 -0.043 0.000 1.898 266 A HA -0.077 4.246 4.320 0.004 0.000 0.216 266 A C 2.516 180.114 177.584 0.023 0.000 1.181 266 A CA 1.668 53.705 52.037 0.001 0.000 0.620 266 A CB -0.424 18.583 19.000 0.012 0.000 0.819 266 A HN 0.357 nan 8.150 nan 0.000 0.442 267 A N -0.355 122.479 122.820 0.024 0.000 1.898 267 A HA 0.316 4.639 4.320 0.004 0.000 0.214 267 A C 2.485 180.105 177.584 0.059 0.000 1.183 267 A CA 1.649 53.727 52.037 0.068 0.000 0.622 267 A CB -0.964 18.096 19.000 0.101 0.000 0.824 267 A HN 0.966 nan 8.150 nan 0.000 0.444 268 A N -0.426 122.401 122.820 0.012 0.000 1.883 268 A HA -0.167 4.155 4.320 0.004 0.000 0.217 268 A C 2.507 180.186 177.584 0.159 0.000 1.186 268 A CA 2.335 54.387 52.037 0.026 0.000 0.624 268 A CB -1.085 17.801 19.000 -0.189 0.000 0.822 268 A HN 0.604 nan 8.150 nan 0.000 0.444 269 S N -0.432 115.318 115.700 0.082 0.000 2.382 269 S HA -0.205 4.267 4.470 0.004 0.000 0.228 269 S C 1.687 176.272 174.600 -0.025 0.000 1.027 269 S CA 1.722 59.953 58.200 0.051 0.000 0.991 269 S CB -0.606 62.629 63.200 0.058 0.000 0.823 269 S HN 0.550 nan 8.310 nan 0.000 0.469 270 D N 1.171 121.572 120.400 0.003 0.000 2.123 270 D HA -0.078 4.564 4.640 0.004 0.000 0.196 270 D C 1.829 178.120 176.300 -0.014 0.000 0.992 270 D CA 1.326 55.323 54.000 -0.006 0.000 0.833 270 D CB -0.331 40.508 40.800 0.065 0.000 0.954 270 D HN 0.498 nan 8.370 nan 0.000 0.455 271 I N 0.054 120.637 120.570 0.023 0.000 2.353 271 I HA -0.179 3.994 4.170 0.004 0.000 0.248 271 I C 2.200 178.294 176.117 -0.039 0.000 1.119 271 I CA 0.312 61.619 61.300 0.012 0.000 1.417 271 I CB 0.045 38.075 38.000 0.049 0.000 1.078 271 I HN -0.011 nan 8.210 nan 0.000 0.421 272 L N 1.581 122.764 121.223 -0.065 0.000 2.240 272 L HA -0.084 4.258 4.340 0.004 0.000 0.211 272 L C 2.671 179.373 176.870 -0.281 0.000 1.106 272 L CA 1.371 56.078 54.840 -0.221 0.000 0.793 272 L CB -0.610 41.282 42.059 -0.279 0.000 0.927 272 L HN 0.175 nan 8.230 nan 0.000 0.446 273 R N -0.607 119.734 120.500 -0.265 0.000 2.073 273 R HA -0.134 4.208 4.340 0.004 0.000 0.229 273 R C 2.101 178.286 176.300 -0.191 0.000 1.120 273 R CA 1.922 57.808 56.100 -0.357 0.000 0.967 273 R CB -0.967 28.825 30.300 -0.847 0.000 0.862 273 R HN 0.348 nan 8.270 nan 0.000 0.436 274 I N 1.231 121.727 120.570 -0.123 0.000 2.617 274 I HA -0.092 4.080 4.170 0.004 0.000 0.256 274 I C 2.259 178.345 176.117 -0.052 0.000 1.167 274 I CA 0.993 62.263 61.300 -0.050 0.000 1.469 274 I CB 0.062 38.033 38.000 -0.047 0.000 1.098 274 I HN 0.284 nan 8.210 nan 0.000 0.436 275 S N -0.234 115.422 115.700 -0.073 0.000 2.371 275 S HA -0.122 4.351 4.470 0.004 0.000 0.224 275 S C 2.053 176.622 174.600 -0.052 0.000 1.029 275 S CA 1.199 59.379 58.200 -0.033 0.000 0.978 275 S CB -0.129 63.090 63.200 0.032 0.000 0.833 275 S HN 0.312 nan 8.310 nan 0.000 0.466 276 M N 1.259 120.755 119.600 -0.173 0.000 2.132 276 M HA 0.084 4.567 4.480 0.004 0.000 0.263 276 M C 2.078 178.426 176.300 0.081 0.000 1.065 276 M CA 1.203 56.379 55.300 -0.206 0.000 1.122 276 M CB -1.557 30.701 32.600 -0.570 0.000 1.365 276 M HN 0.338 nan 8.290 nan 0.000 0.411 277 L N -0.552 120.732 121.223 0.102 0.000 2.083 277 L HA -0.232 4.110 4.340 0.004 0.000 0.209 277 L C 2.560 179.463 176.870 0.055 0.000 1.083 277 L CA 1.152 56.047 54.840 0.091 0.000 0.752 277 L CB -0.646 41.453 42.059 0.065 0.000 0.899 277 L HN 0.353 nan 8.230 nan 0.000 0.433 278 K N 0.109 120.528 120.400 0.032 0.000 2.026 278 K HA -0.196 4.127 4.320 0.004 0.000 0.208 278 K C 1.900 178.522 176.600 0.036 0.000 1.048 278 K CA 1.424 57.723 56.287 0.020 0.000 0.929 278 K CB 0.136 32.634 32.500 -0.004 0.000 0.713 278 K HN 0.227 nan 8.250 nan 0.000 0.439 279 E N 0.203 120.432 120.200 0.049 0.000 2.230 279 E HA -0.113 4.239 4.350 0.004 0.000 0.192 279 E C 1.184 177.834 176.600 0.083 0.000 0.987 279 E CA 0.943 57.380 56.400 0.061 0.000 0.841 279 E CB 0.099 29.843 29.700 0.073 0.000 0.783 279 E HN 0.385 nan 8.360 nan 0.000 0.481 280 D N -0.698 119.775 120.400 0.122 0.000 2.431 280 D HA 0.143 4.786 4.640 0.004 0.000 0.227 280 D C 0.373 176.727 176.300 0.090 0.000 1.030 280 D CA 1.078 55.171 54.000 0.155 0.000 0.897 280 D CB 0.736 41.730 40.800 0.323 0.000 1.058 280 D HN 0.155 nan 8.370 nan 0.000 0.500 281 G N -1.022 107.812 108.800 0.058 0.000 2.728 281 G HA2 0.397 4.359 3.960 0.004 0.000 0.686 281 G HA3 0.397 4.359 3.960 0.004 0.000 0.686 281 G C 0.393 175.239 174.900 -0.090 0.000 1.337 281 G CA -0.327 44.773 45.100 -0.001 0.000 0.861 281 G HN 0.968 nan 8.290 nan 0.000 0.597 282 G N -1.305 107.433 108.800 -0.104 0.000 2.302 282 G HA2 0.520 4.482 3.960 0.004 0.000 0.264 282 G HA3 0.520 4.482 3.960 0.004 0.000 0.264 282 G C -0.917 173.924 174.900 -0.099 0.000 1.335 282 G CA 0.406 45.423 45.100 -0.139 0.000 0.982 282 G HN 1.955 nan 8.290 nan 0.000 0.473 283 V N 0.868 120.726 119.914 -0.094 0.000 2.398 283 V HA 0.581 4.704 4.120 0.004 0.000 0.286 283 V C -0.558 175.456 176.094 -0.133 0.000 1.026 283 V CA -0.555 61.710 62.300 -0.058 0.000 0.868 283 V CB 1.238 33.030 31.823 -0.052 0.000 0.982 283 V HN 0.844 nan 8.190 nan 0.000 0.443 284 Y N 6.094 126.316 120.300 -0.130 0.000 2.330 284 Y HA 0.749 5.302 4.550 0.004 0.000 0.336 284 Y C -0.805 174.933 175.900 -0.270 0.000 1.036 284 Y CA -0.781 57.225 58.100 -0.158 0.000 1.125 284 Y CB 1.234 39.671 38.460 -0.039 0.000 1.194 284 Y HN 0.532 nan 8.280 nan 0.000 0.469 285 L N 5.753 126.021 121.223 -1.592 0.000 2.410 285 L HA 0.337 4.679 4.340 0.004 0.000 0.270 285 L C -0.788 175.331 176.870 -1.250 0.000 0.983 285 L CA -1.177 52.868 54.840 -1.324 0.000 0.822 285 L CB 1.776 43.049 42.059 -1.311 0.000 1.285 285 L HN 0.613 nan 8.230 nan 0.000 0.409 286 D N 0.981 121.064 120.400 -0.529 0.000 2.449 286 D HA -0.002 4.641 4.640 0.004 0.000 0.236 286 D C 1.231 177.630 176.300 0.165 0.000 1.149 286 D CA 0.062 54.053 54.000 -0.016 0.000 0.878 286 D CB 1.779 42.660 40.800 0.135 0.000 1.198 286 D HN 0.415 nan 8.370 nan 0.000 0.446 287 V N -0.188 119.916 119.914 0.317 0.000 3.026 287 V HA -0.179 3.943 4.120 0.004 0.000 0.265 287 V C 1.009 177.289 176.094 0.309 0.000 1.121 287 V CA 1.550 64.044 62.300 0.324 0.000 1.142 287 V CB -0.614 31.313 31.823 0.173 0.000 0.730 287 V HN 0.451 nan 8.190 nan 0.000 0.503 288 D N -1.465 119.121 120.400 0.309 0.000 2.340 288 D HA 0.130 4.772 4.640 0.004 0.000 0.217 288 D C 0.667 177.262 176.300 0.491 0.000 1.081 288 D CA -0.039 54.209 54.000 0.414 0.000 0.842 288 D CB -0.154 40.795 40.800 0.247 0.000 0.934 288 D HN 0.363 nan 8.370 nan 0.000 0.511 289 M N 0.655 120.495 119.600 0.400 0.000 2.314 289 M HA 0.435 4.918 4.480 0.004 0.000 0.342 289 M C -0.143 176.412 176.300 0.424 0.000 1.171 289 M CA -0.566 54.920 55.300 0.311 0.000 1.098 289 M CB 1.914 34.624 32.600 0.183 0.000 1.559 289 M HN -0.065 nan 8.290 nan 0.000 0.459 290 L N 2.483 123.787 121.223 0.135 0.000 2.301 290 L HA 0.564 4.907 4.340 0.004 0.000 0.264 290 L C -2.182 174.282 176.870 -0.677 0.000 1.016 290 L CA -2.023 52.623 54.840 -0.324 0.000 0.821 290 L CB 2.269 43.996 42.059 -0.553 0.000 1.346 290 L HN 0.382 nan 8.230 nan 0.000 0.429 291 P HA 0.028 nan 4.420 nan 0.000 0.268 291 P C -0.189 176.731 177.300 -0.634 0.000 1.208 291 P CA -0.158 61.991 63.100 -1.586 0.000 0.777 291 P CB 0.384 31.067 31.700 -1.694 0.000 0.875 292 G N 1.842 110.491 108.800 -0.252 0.000 2.664 292 G HA2 0.249 4.211 3.960 0.004 0.000 0.242 292 G HA3 0.249 4.211 3.960 0.004 0.000 0.242 292 G C -0.184 174.748 174.900 0.054 0.000 1.225 292 G CA -0.509 44.571 45.100 -0.033 0.000 0.849 292 G HN 0.409 nan 8.290 nan 0.000 0.581 293 I N 0.477 121.117 120.570 0.116 0.000 2.499 293 I HA 0.098 4.270 4.170 0.004 0.000 0.296 293 I C 0.482 176.627 176.117 0.047 0.000 0.992 293 I CA -0.637 60.743 61.300 0.134 0.000 1.297 293 I CB 1.394 39.479 38.000 0.141 0.000 1.410 293 I HN 0.291 nan 8.210 nan 0.000 0.507 294 Q N 5.863 125.650 119.800 -0.021 0.000 2.262 294 Q HA -0.016 4.326 4.340 0.004 0.000 0.298 294 Q C -1.620 174.354 176.000 -0.043 0.000 1.083 294 Q CA -0.884 54.891 55.803 -0.047 0.000 0.962 294 Q CB 0.354 29.032 28.738 -0.101 0.000 1.104 294 Q HN 0.360 nan 8.270 nan 0.000 0.376 295 P HA -0.172 nan 4.420 nan 0.000 0.217 295 P C 0.087 177.398 177.300 0.019 0.000 1.148 295 P CA 1.371 64.490 63.100 0.031 0.000 0.834 295 P CB 0.395 32.116 31.700 0.035 0.000 0.783 296 D N -2.305 118.082 120.400 -0.022 0.000 2.367 296 D HA 0.006 4.648 4.640 0.004 0.000 0.207 296 D C 1.596 177.845 176.300 -0.085 0.000 1.034 296 D CA -0.023 53.959 54.000 -0.029 0.000 0.861 296 D CB -0.670 40.114 40.800 -0.027 0.000 0.943 296 D HN 0.010 nan 8.370 nan 0.000 0.515 297 L N -0.372 120.735 121.223 -0.193 0.000 2.081 297 L HA -0.119 4.224 4.340 0.004 0.000 0.212 297 L C 0.599 177.220 176.870 -0.415 0.000 1.080 297 L CA 1.796 56.391 54.840 -0.409 0.000 0.754 297 L CB -0.156 41.490 42.059 -0.689 0.000 0.893 297 L HN -0.064 nan 8.230 nan 0.000 0.433 298 F N -0.886 119.056 119.950 -0.014 0.000 2.764 298 F HA 0.245 4.775 4.527 0.004 0.000 0.310 298 F C 1.673 177.481 175.800 0.014 0.000 1.124 298 F CA -0.224 57.750 58.000 -0.043 0.000 1.252 298 F CB -0.559 38.423 39.000 -0.029 0.000 1.010 298 F HN 0.122 nan 8.300 nan 0.000 0.518 299 K N -1.205 119.289 120.400 0.156 0.000 2.362 299 K HA -0.068 4.254 4.320 0.004 0.000 0.200 299 K C 1.901 178.555 176.600 0.091 0.000 1.046 299 K CA 1.535 57.895 56.287 0.123 0.000 0.952 299 K CB -0.166 32.375 32.500 0.069 0.000 0.753 299 K HN 0.085 nan 8.250 nan 0.000 0.466 300 S N 0.365 116.109 115.700 0.072 0.000 2.478 300 S HA 0.176 4.649 4.470 0.004 0.000 0.222 300 S C 0.617 175.234 174.600 0.029 0.000 1.008 300 S CA -0.389 57.832 58.200 0.036 0.000 0.928 300 S CB -0.121 63.089 63.200 0.016 0.000 0.781 300 S HN 0.297 nan 8.310 nan 0.000 0.518 301 I N 3.342 123.939 120.570 0.044 0.000 2.308 301 I HA 0.184 4.357 4.170 0.004 0.000 0.293 301 I C -0.460 175.720 176.117 0.104 0.000 1.078 301 I CA -0.360 60.958 61.300 0.030 0.000 1.292 301 I CB 0.427 38.343 38.000 -0.140 0.000 1.423 301 I HN 0.136 nan 8.210 nan 0.000 0.493 302 N N 6.206 124.903 118.700 -0.004 0.000 2.497 302 N HA 0.100 4.843 4.740 0.004 0.000 0.271 302 N C -0.095 175.213 175.510 -0.337 0.000 1.142 302 N CA -0.587 52.395 53.050 -0.113 0.000 0.965 302 N CB 0.805 39.234 38.487 -0.096 0.000 1.077 302 N HN 0.490 nan 8.380 nan 0.000 0.462 303 K N 3.376 123.362 120.400 -0.689 0.000 2.447 303 K HA 0.063 4.386 4.320 0.004 0.000 0.281 303 K C -2.090 174.144 176.600 -0.609 0.000 1.031 303 K CA -1.208 54.318 56.287 -1.269 0.000 1.019 303 K CB 0.313 31.994 32.500 -1.365 0.000 0.918 303 K HN 0.344 nan 8.250 nan 0.000 0.476 304 P HA -0.042 nan 4.420 nan 0.000 0.264 304 P C -0.306 176.879 177.300 -0.191 0.000 1.183 304 P CA -0.012 62.956 63.100 -0.220 0.000 0.763 304 P CB 0.593 32.227 31.700 -0.110 0.000 0.807 305 D N 1.282 121.605 120.400 -0.128 0.000 2.190 305 D HA -0.146 4.497 4.640 0.004 0.000 0.200 305 D C 1.784 178.044 176.300 -0.067 0.000 0.992 305 D CA 1.864 55.806 54.000 -0.098 0.000 0.854 305 D CB -0.261 40.499 40.800 -0.068 0.000 0.936 305 D HN 0.442 nan 8.370 nan 0.000 0.462 306 S N -0.528 115.144 115.700 -0.048 0.000 2.489 306 S HA -0.001 4.472 4.470 0.004 0.000 0.228 306 S C 1.035 175.633 174.600 -0.004 0.000 0.995 306 S CA -0.080 58.109 58.200 -0.019 0.000 0.934 306 S CB -0.157 63.038 63.200 -0.009 0.000 0.771 306 S HN 0.149 nan 8.310 nan 0.000 0.522 307 I N 3.647 124.209 120.570 -0.013 0.000 2.395 307 I HA 0.183 4.355 4.170 0.004 0.000 0.289 307 I C 0.822 176.963 176.117 0.041 0.000 1.023 307 I CA -0.562 60.762 61.300 0.039 0.000 1.350 307 I CB 1.195 39.253 38.000 0.098 0.000 1.409 307 I HN 0.185 nan 8.210 nan 0.000 0.507 308 T N 1.526 116.127 114.554 0.078 0.000 2.860 308 T HA 0.099 4.451 4.350 0.004 0.000 0.299 308 T C 1.043 175.822 174.700 0.132 0.000 1.045 308 T CA -0.642 61.505 62.100 0.078 0.000 1.071 308 T CB 0.824 69.738 68.868 0.077 0.000 0.985 308 T HN 0.469 nan 8.240 nan 0.000 0.537 309 N N 0.606 119.376 118.700 0.116 0.000 2.166 309 N HA -0.116 4.627 4.740 0.004 0.000 0.186 309 N C 2.150 177.788 175.510 0.213 0.000 1.019 309 N CA 1.655 54.810 53.050 0.176 0.000 0.856 309 N CB -1.005 37.556 38.487 0.124 0.000 0.993 309 N HN 0.880 nan 8.380 nan 0.000 0.426 310 T N -0.339 114.304 114.554 0.149 0.000 2.708 310 T HA -0.055 4.297 4.350 0.004 0.000 0.266 310 T C 2.008 176.793 174.700 0.142 0.000 1.037 310 T CA 1.768 63.945 62.100 0.128 0.000 1.146 310 T CB -0.247 68.673 68.868 0.087 0.000 0.865 310 T HN 0.111 nan 8.240 nan 0.000 0.435 311 S N -0.078 115.716 115.700 0.156 0.000 2.383 311 S HA -0.020 4.452 4.470 0.004 0.000 0.227 311 S C 1.530 176.258 174.600 0.213 0.000 1.026 311 S CA 0.957 59.252 58.200 0.159 0.000 0.981 311 S CB -0.549 62.742 63.200 0.151 0.000 0.818 311 S HN 0.700 nan 8.310 nan 0.000 0.472 312 W N 2.475 123.813 121.300 0.062 0.000 2.363 312 W HA -0.110 4.552 4.660 0.004 0.000 0.296 312 W C 1.739 178.317 176.519 0.098 0.000 1.212 312 W CA 1.036 58.428 57.345 0.080 0.000 1.260 312 W CB -0.025 29.487 29.460 0.087 0.000 1.131 312 W HN 0.307 nan 8.180 nan 0.000 0.530 313 E N 0.394 120.679 120.200 0.142 0.000 2.051 313 E HA -0.245 4.108 4.350 0.004 0.000 0.192 313 E C 2.140 178.745 176.600 0.008 0.000 0.991 313 E CA 1.720 58.155 56.400 0.060 0.000 0.799 313 E CB -0.890 28.881 29.700 0.118 0.000 0.748 313 E HN 0.415 nan 8.360 nan 0.000 0.449 314 M N 0.748 120.375 119.600 0.045 0.000 2.082 314 M HA -0.197 4.285 4.480 0.004 0.000 0.258 314 M C 2.504 178.797 176.300 -0.011 0.000 1.069 314 M CA 1.631 56.961 55.300 0.049 0.000 1.102 314 M CB -0.618 32.026 32.600 0.074 0.000 1.336 314 M HN 0.178 nan 8.290 nan 0.000 0.404 315 I N -2.063 118.447 120.570 -0.099 0.000 2.676 315 I HA -0.174 3.998 4.170 0.004 0.000 0.259 315 I C 1.837 177.692 176.117 -0.436 0.000 1.194 315 I CA 1.274 62.446 61.300 -0.213 0.000 1.473 315 I CB -0.527 37.344 38.000 -0.214 0.000 1.096 315 I HN 0.240 nan 8.210 nan 0.000 0.443 316 K N 1.543 121.684 120.400 -0.432 0.000 2.057 316 K HA -0.055 4.267 4.320 0.004 0.000 0.207 316 K C 2.210 178.746 176.600 -0.107 0.000 1.049 316 K CA 1.423 57.510 56.287 -0.334 0.000 0.931 316 K CB -0.229 32.203 32.500 -0.113 0.000 0.714 316 K HN 0.402 nan 8.250 nan 0.000 0.440 317 L N 0.953 122.138 121.223 -0.064 0.000 2.083 317 L HA -0.191 4.152 4.340 0.004 0.000 0.209 317 L C 2.161 178.888 176.870 -0.239 0.000 1.083 317 L CA 1.346 56.137 54.840 -0.082 0.000 0.752 317 L CB -0.323 41.729 42.059 -0.011 0.000 0.899 317 L HN 0.246 nan 8.230 nan 0.000 0.433 318 E N -0.138 119.966 120.200 -0.161 0.000 2.208 318 E HA -0.135 4.218 4.350 0.004 0.000 0.193 318 E C 2.273 178.563 176.600 -0.517 0.000 0.988 318 E CA 0.817 57.115 56.400 -0.170 0.000 0.828 318 E CB -0.018 29.678 29.700 -0.007 0.000 0.763 318 E HN 0.481 nan 8.360 nan 0.000 0.478 319 A N 1.437 123.881 122.820 -0.626 0.000 1.858 319 A HA -0.180 4.143 4.320 0.004 0.000 0.216 319 A C 2.163 179.523 177.584 -0.373 0.000 1.190 319 A CA 1.064 52.617 52.037 -0.806 0.000 0.617 319 A CB -0.637 17.930 19.000 -0.723 0.000 0.827 319 A HN 0.131 nan 8.150 nan 0.000 0.443 320 I N -0.566 119.894 120.570 -0.183 0.000 2.194 320 I HA -0.314 3.858 4.170 0.004 0.000 0.246 320 I C 2.450 178.347 176.117 -0.367 0.000 1.093 320 I CA 1.422 62.608 61.300 -0.190 0.000 1.355 320 I CB -0.362 37.524 38.000 -0.191 0.000 1.046 320 I HN 0.283 nan 8.210 nan 0.000 0.413 321 M N 0.033 119.381 119.600 -0.420 0.000 2.349 321 M HA -0.103 4.379 4.480 0.004 0.000 0.266 321 M C 2.183 178.249 176.300 -0.390 0.000 1.076 321 M CA 1.344 56.399 55.300 -0.409 0.000 1.126 321 M CB -1.035 31.261 32.600 -0.506 0.000 1.392 321 M HN 0.101 nan 8.290 nan 0.000 0.440 322 K N 0.422 120.500 120.400 -0.536 0.000 2.002 322 K HA -0.148 4.174 4.320 0.004 0.000 0.209 322 K C 1.412 177.600 176.600 -0.687 0.000 1.048 322 K CA 1.786 57.640 56.287 -0.722 0.000 0.930 322 K CB -0.152 31.602 32.500 -1.244 0.000 0.714 322 K HN 0.221 nan 8.250 nan 0.000 0.438 323 Y N -0.238 119.868 120.300 -0.323 0.000 2.478 323 Y HA 0.211 4.764 4.550 0.004 0.000 0.261 323 Y C 1.353 177.079 175.900 -0.291 0.000 1.127 323 Y CA 0.161 58.115 58.100 -0.244 0.000 1.288 323 Y CB 0.645 38.998 38.460 -0.179 0.000 1.084 323 Y HN -0.056 nan 8.280 nan 0.000 0.530 324 K N -0.104 120.091 120.400 -0.342 0.000 2.399 324 K HA 0.104 4.427 4.320 0.004 0.000 0.196 324 K C 0.161 176.429 176.600 -0.552 0.000 1.103 324 K CA 0.351 56.271 56.287 -0.611 0.000 0.986 324 K CB 0.254 31.965 32.500 -1.314 0.000 0.952 324 K HN 0.256 nan 8.250 nan 0.000 0.541 325 E N 0.471 120.427 120.200 -0.407 0.000 2.440 325 E HA -0.239 4.114 4.350 0.004 0.000 0.246 325 E C -0.009 176.536 176.600 -0.092 0.000 1.165 325 E CA 0.149 56.422 56.400 -0.212 0.000 0.726 325 E CB -1.548 28.073 29.700 -0.132 0.000 1.271 325 E HN 0.222 nan 8.360 nan 0.000 0.397 326 Y N -0.721 119.529 120.300 -0.083 0.000 2.207 326 Y HA -0.057 4.495 4.550 0.004 0.000 0.287 326 Y C 1.496 177.389 175.900 -0.011 0.000 1.156 326 Y CA 1.056 59.127 58.100 -0.049 0.000 1.182 326 Y CB 0.130 38.558 38.460 -0.055 0.000 0.979 326 Y HN 0.166 nan 8.280 nan 0.000 0.521 327 I N 2.771 123.426 120.570 0.142 0.000 2.390 327 I HA 0.246 4.419 4.170 0.004 0.000 0.283 327 I C -2.382 173.815 176.117 0.133 0.000 1.016 327 I CA -2.234 59.161 61.300 0.158 0.000 1.151 327 I CB 1.676 39.822 38.000 0.244 0.000 1.293 327 I HN -0.199 nan 8.210 nan 0.000 0.458 328 P HA 0.135 nan 4.420 nan 0.000 0.271 328 P C 0.829 178.176 177.300 0.078 0.000 1.216 328 P CA 0.499 63.636 63.100 0.061 0.000 0.771 328 P CB 1.109 32.828 31.700 0.032 0.000 0.864 329 G N 1.836 110.673 108.800 0.062 0.000 2.195 329 G HA2 -0.289 3.673 3.960 0.004 0.000 0.246 329 G HA3 -0.289 3.673 3.960 0.004 0.000 0.246 329 G C -0.091 174.847 174.900 0.064 0.000 0.984 329 G CA -0.317 44.809 45.100 0.042 0.000 0.633 329 G HN 0.560 nan 8.290 nan 0.000 0.525 330 Y N 2.496 122.795 120.300 -0.000 0.000 2.632 330 Y HA 0.427 4.980 4.550 0.005 0.000 0.329 330 Y C 1.413 177.296 175.900 -0.027 0.000 1.174 330 Y CA 1.112 59.217 58.100 0.008 0.000 1.469 330 Y CB 0.577 39.040 38.460 0.006 0.000 1.242 330 Y HN 0.183 nan 8.280 nan 0.000 0.540 331 T N 3.263 117.685 114.554 -0.219 0.000 2.939 331 T HA 0.039 4.391 4.350 0.004 0.000 0.319 331 T C 0.759 175.494 174.700 0.057 0.000 1.082 331 T CA 0.634 62.679 62.100 -0.091 0.000 1.133 331 T CB 0.095 68.870 68.868 -0.155 0.000 1.019 331 T HN 0.785 nan 8.240 nan 0.000 0.548 332 S N 2.771 118.488 115.700 0.027 0.000 2.855 332 S HA 0.241 4.714 4.470 0.004 0.000 0.249 332 S C 1.361 176.004 174.600 0.073 0.000 1.033 332 S CA -0.509 57.719 58.200 0.047 0.000 1.038 332 S CB 0.142 63.334 63.200 -0.014 0.000 0.960 332 S HN 0.798 nan 8.310 nan 0.000 0.548 333 K N 2.663 123.085 120.400 0.037 0.000 2.074 333 K HA -0.125 4.198 4.320 0.004 0.000 0.209 333 K C 1.546 178.170 176.600 0.039 0.000 1.048 333 K CA 1.993 58.297 56.287 0.028 0.000 0.926 333 K CB -0.194 32.313 32.500 0.011 0.000 0.713 333 K HN 0.464 nan 8.250 nan 0.000 0.444 334 N N -0.393 118.338 118.700 0.052 0.000 2.290 334 N HA -0.111 4.632 4.740 0.004 0.000 0.179 334 N C 1.739 177.267 175.510 0.031 0.000 1.016 334 N CA 0.796 53.872 53.050 0.044 0.000 0.871 334 N CB -0.198 38.320 38.487 0.051 0.000 0.987 334 N HN 0.143 nan 8.380 nan 0.000 0.431 335 F N 2.998 122.881 119.950 -0.111 0.000 2.126 335 F HA -0.147 4.382 4.527 0.004 0.000 0.299 335 F C 1.586 177.327 175.800 -0.099 0.000 1.096 335 F CA 1.400 59.296 58.000 -0.173 0.000 1.255 335 F CB -0.087 38.766 39.000 -0.244 0.000 0.997 335 F HN -0.101 nan 8.300 nan 0.000 0.479 336 D N -0.128 120.301 120.400 0.049 0.000 2.350 336 D HA -0.145 4.497 4.640 0.004 0.000 0.216 336 D C 2.027 178.283 176.300 -0.075 0.000 0.968 336 D CA 1.045 55.043 54.000 -0.003 0.000 0.894 336 D CB -0.209 40.617 40.800 0.044 0.000 0.909 336 D HN 0.405 nan 8.370 nan 0.000 0.520 337 M N -0.325 119.224 119.600 -0.086 0.000 2.510 337 M HA 0.045 4.528 4.480 0.004 0.000 0.256 337 M C 0.250 176.499 176.300 -0.086 0.000 1.132 337 M CA -0.127 55.136 55.300 -0.063 0.000 1.105 337 M CB 0.480 33.066 32.600 -0.023 0.000 1.375 337 M HN -0.122 nan 8.290 nan 0.000 0.477 338 L N 0.584 121.705 121.223 -0.171 0.000 2.473 338 L HA -0.036 4.307 4.340 0.004 0.000 0.265 338 L C 0.284 177.089 176.870 -0.107 0.000 1.243 338 L CA 0.685 55.438 54.840 -0.144 0.000 0.822 338 L CB 0.013 41.916 42.059 -0.261 0.000 1.101 338 L HN -0.027 nan 8.230 nan 0.000 0.507 339 D N -0.186 120.185 120.400 -0.047 0.000 2.424 339 D HA 0.018 4.661 4.640 0.004 0.000 0.244 339 D C 0.977 177.258 176.300 -0.031 0.000 1.134 339 D CA 0.230 54.214 54.000 -0.026 0.000 0.881 339 D CB 0.725 41.525 40.800 -0.000 0.000 1.191 339 D HN 0.526 nan 8.370 nan 0.000 0.445 340 E N 1.880 122.069 120.200 -0.019 0.000 2.113 340 E HA -0.327 4.026 4.350 0.004 0.000 0.210 340 E C 1.428 178.040 176.600 0.021 0.000 1.040 340 E CA 1.528 57.929 56.400 0.002 0.000 0.847 340 E CB 0.016 29.724 29.700 0.012 0.000 0.755 340 E HN 0.616 nan 8.360 nan 0.000 0.459 341 E N 0.043 120.255 120.200 0.020 0.000 2.153 341 E HA -0.165 4.187 4.350 0.004 0.000 0.194 341 E C 2.100 178.730 176.600 0.049 0.000 0.988 341 E CA 1.264 57.681 56.400 0.028 0.000 0.811 341 E CB 0.137 29.848 29.700 0.018 0.000 0.746 341 E HN 0.134 nan 8.360 nan 0.000 0.466 342 V N 0.637 120.588 119.914 0.062 0.000 2.535 342 V HA -0.173 3.949 4.120 0.004 0.000 0.246 342 V C 2.143 178.368 176.094 0.218 0.000 1.045 342 V CA 1.178 63.558 62.300 0.133 0.000 1.058 342 V CB -0.447 31.484 31.823 0.179 0.000 0.689 342 V HN 0.178 nan 8.190 nan 0.000 0.461 343 Q N 0.281 120.121 119.800 0.067 0.000 2.061 343 Q HA -0.230 4.112 4.340 0.004 0.000 0.204 343 Q C 2.519 178.719 176.000 0.333 0.000 0.984 343 Q CA 1.864 57.710 55.803 0.071 0.000 0.846 343 Q CB -0.245 28.428 28.738 -0.108 0.000 0.902 343 Q HN 0.546 nan 8.270 nan 0.000 0.421 344 R N -0.028 120.576 120.500 0.173 0.000 2.127 344 R HA -0.102 4.241 4.340 0.004 0.000 0.238 344 R C 2.485 178.825 176.300 0.067 0.000 1.134 344 R CA 1.290 57.448 56.100 0.097 0.000 0.975 344 R CB -0.103 30.229 30.300 0.054 0.000 0.865 344 R HN 0.135 nan 8.270 nan 0.000 0.447 345 S N 0.500 116.250 115.700 0.083 0.000 2.359 345 S HA -0.141 4.332 4.470 0.004 0.000 0.224 345 S C 1.576 176.160 174.600 -0.027 0.000 1.035 345 S CA 1.353 59.554 58.200 0.002 0.000 1.018 345 S CB -0.306 62.866 63.200 -0.046 0.000 0.876 345 S HN 0.197 nan 8.310 nan 0.000 0.448 346 F N 1.671 121.665 119.950 0.073 0.000 2.102 346 F HA -0.102 4.428 4.527 0.004 0.000 0.298 346 F C 2.607 178.387 175.800 -0.033 0.000 1.105 346 F CA 1.502 59.549 58.000 0.079 0.000 1.239 346 F CB -0.512 38.626 39.000 0.231 0.000 0.991 346 F HN 0.245 nan 8.300 nan 0.000 0.474 347 E N -0.305 119.844 120.200 -0.085 0.000 2.097 347 E HA -0.273 4.080 4.350 0.004 0.000 0.196 347 E C 2.378 178.803 176.600 -0.293 0.000 1.000 347 E CA 1.546 57.530 56.400 -0.693 0.000 0.804 347 E CB -0.257 28.993 29.700 -0.749 0.000 0.740 347 E HN 0.308 nan 8.360 nan 0.000 0.454 348 S N -0.438 115.188 115.700 -0.124 0.000 2.387 348 S HA -0.056 4.416 4.470 0.004 0.000 0.226 348 S C 2.030 176.608 174.600 -0.037 0.000 1.026 348 S CA 1.076 59.232 58.200 -0.073 0.000 0.972 348 S CB -0.190 62.983 63.200 -0.044 0.000 0.814 348 S HN 0.416 nan 8.310 nan 0.000 0.477 349 A N 1.209 124.038 122.820 0.016 0.000 1.902 349 A HA 0.113 4.436 4.320 0.004 0.000 0.217 349 A C 1.550 179.143 177.584 0.015 0.000 1.181 349 A CA 1.137 53.205 52.037 0.051 0.000 0.623 349 A CB -0.625 18.505 19.000 0.215 0.000 0.818 349 A HN 0.520 nan 8.150 nan 0.000 0.443 350 L N 0.395 121.648 121.223 0.050 0.000 2.718 350 L HA 0.204 4.546 4.340 0.004 0.000 0.242 350 L C 1.720 178.546 176.870 -0.074 0.000 1.203 350 L CA 0.700 55.532 54.840 -0.012 0.000 1.011 350 L CB -0.612 41.474 42.059 0.046 0.000 1.250 350 L HN 0.239 nan 8.230 nan 0.000 0.437 351 S N -1.163 114.494 115.700 -0.072 0.000 2.444 351 S HA -0.001 4.472 4.470 0.004 0.000 0.223 351 S C 1.632 176.200 174.600 -0.053 0.000 1.054 351 S CA 0.842 59.000 58.200 -0.070 0.000 0.947 351 S CB 0.254 63.414 63.200 -0.066 0.000 0.850 351 S HN 0.566 nan 8.310 nan 0.000 0.527 352 S N 1.388 117.058 115.700 -0.050 0.000 2.660 352 S HA 0.284 4.756 4.470 0.004 0.000 0.227 352 S C -0.041 174.531 174.600 -0.047 0.000 0.948 352 S CA -0.257 57.917 58.200 -0.044 0.000 0.948 352 S CB -0.125 63.050 63.200 -0.040 0.000 0.779 352 S HN 0.102 nan 8.310 nan 0.000 0.487 353 K N 1.840 122.208 120.400 -0.053 0.000 2.604 353 K HA 0.312 4.635 4.320 0.004 0.000 0.247 353 K C -0.095 176.482 176.600 -0.039 0.000 0.956 353 K CA -0.062 56.191 56.287 -0.057 0.000 0.896 353 K CB 1.576 34.023 32.500 -0.088 0.000 1.131 353 K HN 0.288 nan 8.250 nan 0.000 0.440 354 S N -0.439 115.246 115.700 -0.024 0.000 2.524 354 S HA 0.017 4.489 4.470 0.004 0.000 0.215 354 S C 0.311 174.918 174.600 0.012 0.000 0.986 354 S CA -0.119 58.080 58.200 -0.003 0.000 0.911 354 S CB 0.075 63.272 63.200 -0.005 0.000 0.805 354 S HN 0.566 nan 8.310 nan 0.000 0.501 355 D N 1.327 121.723 120.400 -0.007 0.000 2.280 355 D HA 0.343 4.986 4.640 0.004 0.000 0.236 355 D C 0.844 177.124 176.300 -0.034 0.000 1.082 355 D CA -0.560 53.431 54.000 -0.015 0.000 0.834 355 D CB 1.233 42.021 40.800 -0.020 0.000 1.100 355 D HN -0.068 nan 8.370 nan 0.000 0.486 356 K N 1.544 121.908 120.400 -0.061 0.000 2.160 356 K HA -0.144 4.178 4.320 0.004 0.000 0.206 356 K C 1.367 177.907 176.600 -0.099 0.000 1.047 356 K CA 1.029 57.229 56.287 -0.146 0.000 0.930 356 K CB 0.099 32.436 32.500 -0.271 0.000 0.720 356 K HN 0.353 nan 8.250 nan 0.000 0.450 357 S N 0.785 116.453 115.700 -0.055 0.000 2.474 357 S HA -0.070 4.402 4.470 0.004 0.000 0.235 357 S C 0.924 175.498 174.600 -0.042 0.000 0.997 357 S CA 0.891 59.074 58.200 -0.029 0.000 0.949 357 S CB -0.044 63.148 63.200 -0.014 0.000 0.766 357 S HN 0.394 nan 8.310 nan 0.000 0.517 358 E N 0.145 120.305 120.200 -0.066 0.000 2.478 358 E HA 0.119 4.471 4.350 0.004 0.000 0.194 358 E C 1.015 177.531 176.600 -0.139 0.000 1.045 358 E CA 0.231 56.580 56.400 -0.084 0.000 0.868 358 E CB 0.203 29.857 29.700 -0.077 0.000 0.885 358 E HN 0.410 nan 8.360 nan 0.000 0.505 359 I N -0.159 120.309 120.570 -0.170 0.000 3.136 359 I HA 0.095 4.268 4.170 0.004 0.000 0.262 359 I C 0.633 176.589 176.117 -0.268 0.000 1.132 359 I CA 0.559 61.679 61.300 -0.300 0.000 1.450 359 I CB -0.253 37.516 38.000 -0.384 0.000 1.315 359 I HN -0.064 nan 8.210 nan 0.000 0.460 360 F N 0.933 120.795 119.950 -0.147 0.000 2.440 360 F HA 0.470 4.999 4.527 0.004 0.000 0.328 360 F C 0.152 175.859 175.800 -0.156 0.000 1.070 360 F CA -1.293 56.593 58.000 -0.189 0.000 1.011 360 F CB 0.956 39.789 39.000 -0.278 0.000 1.226 360 F HN -0.244 nan 8.300 nan 0.000 0.491 361 L N 5.684 126.951 121.223 0.073 0.000 2.255 361 L HA 0.518 4.861 4.340 0.004 0.000 0.289 361 L C -2.372 174.493 176.870 -0.008 0.000 1.046 361 L CA -1.968 52.884 54.840 0.020 0.000 0.816 361 L CB 0.408 42.484 42.059 0.029 0.000 1.197 361 L HN 0.245 nan 8.230 nan 0.000 0.427 362 P HA 0.033 nan 4.420 nan 0.000 0.266 362 P C 0.960 178.279 177.300 0.033 0.000 1.195 362 P CA -0.007 63.102 63.100 0.015 0.000 0.768 362 P CB 0.757 32.479 31.700 0.037 0.000 0.838 363 L N 0.276 121.500 121.223 0.001 0.000 2.083 363 L HA -0.207 4.135 4.340 0.004 0.000 0.209 363 L C 1.494 178.429 176.870 0.108 0.000 1.083 363 L CA 1.366 56.208 54.840 0.003 0.000 0.752 363 L CB -0.771 41.125 42.059 -0.270 0.000 0.899 363 L HN 0.439 nan 8.230 nan 0.000 0.433 364 D N -0.053 120.457 120.400 0.185 0.000 3.584 364 D HA -0.275 4.368 4.640 0.004 0.000 0.153 364 D C -0.024 176.427 176.300 0.250 0.000 0.949 364 D CA 1.886 56.023 54.000 0.227 0.000 1.011 364 D CB -0.411 40.460 40.800 0.119 0.000 0.476 364 D HN 0.145 nan 8.370 nan 0.000 0.460 365 D N 0.157 120.637 120.400 0.133 0.000 2.313 365 D HA 0.444 5.086 4.640 0.004 0.000 0.239 365 D C -0.418 175.925 176.300 0.073 0.000 1.142 365 D CA -0.058 53.997 54.000 0.091 0.000 0.847 365 D CB 0.324 41.152 40.800 0.047 0.000 1.082 365 D HN 0.209 nan 8.370 nan 0.000 0.480 366 I N 3.188 123.801 120.570 0.073 0.000 2.371 366 I HA 0.159 4.332 4.170 0.004 0.000 0.282 366 I C 0.356 176.470 176.117 -0.004 0.000 1.031 366 I CA -0.761 60.548 61.300 0.015 0.000 1.180 366 I CB 0.756 38.748 38.000 -0.013 0.000 1.336 366 I HN -0.050 nan 8.210 nan 0.000 0.467 367 K N 4.998 125.390 120.400 -0.013 0.000 2.350 367 K HA 0.467 4.789 4.320 0.004 0.000 0.279 367 K C -0.554 176.031 176.600 -0.025 0.000 1.027 367 K CA -0.203 56.075 56.287 -0.015 0.000 0.969 367 K CB 1.949 34.441 32.500 -0.013 0.000 0.954 367 K HN 0.323 nan 8.250 nan 0.000 0.474 368 V N 1.226 121.131 119.914 -0.014 0.000 3.049 368 V HA 0.324 4.446 4.120 0.004 0.000 0.309 368 V C -0.954 175.144 176.094 0.007 0.000 1.148 368 V CA -0.645 61.651 62.300 -0.006 0.000 0.990 368 V CB 2.404 34.229 31.823 0.002 0.000 1.039 368 V HN 0.868 nan 8.190 nan 0.000 0.430 369 S N 4.141 119.850 115.700 0.015 0.000 2.586 369 S HA 0.515 4.987 4.470 0.004 0.000 0.274 369 S C -1.859 172.770 174.600 0.047 0.000 1.281 369 S CA -1.062 57.151 58.200 0.021 0.000 1.035 369 S CB 1.583 64.788 63.200 0.009 0.000 0.962 369 S HN 0.716 nan 8.310 nan 0.000 0.512 370 P HA 0.013 nan 4.420 nan 0.000 0.225 370 P C 0.700 178.054 177.300 0.090 0.000 1.148 370 P CA 0.934 64.073 63.100 0.064 0.000 0.779 370 P CB 0.042 31.775 31.700 0.055 0.000 0.780 371 L N -1.105 120.156 121.223 0.064 0.000 2.558 371 L HA 0.090 4.432 4.340 0.004 0.000 0.225 371 L C 1.237 178.208 176.870 0.168 0.000 1.128 371 L CA 0.249 55.121 54.840 0.054 0.000 0.868 371 L CB -0.492 41.536 42.059 -0.051 0.000 1.006 371 L HN 0.150 nan 8.230 nan 0.000 0.454 372 E N -0.801 119.516 120.200 0.196 0.000 2.359 372 E HA 0.599 4.951 4.350 0.004 0.000 0.266 372 E C -1.197 175.571 176.600 0.280 0.000 0.920 372 E CA -0.894 55.705 56.400 0.332 0.000 0.788 372 E CB 2.622 32.546 29.700 0.374 0.000 1.279 372 E HN -0.236 nan 8.360 nan 0.000 0.438 373 V N 1.790 121.934 119.914 0.384 0.000 2.443 373 V HA 0.282 4.405 4.120 0.004 0.000 0.293 373 V C -0.282 176.058 176.094 0.410 0.000 1.021 373 V CA -0.939 61.553 62.300 0.320 0.000 0.848 373 V CB 1.334 33.326 31.823 0.282 0.000 0.998 373 V HN 0.578 nan 8.190 nan 0.000 0.424 374 K N 4.297 124.865 120.400 0.279 0.000 2.237 374 K HA 0.646 4.968 4.320 0.004 0.000 0.270 374 K C -0.714 176.075 176.600 0.315 0.000 1.015 374 K CA -0.297 56.156 56.287 0.276 0.000 0.949 374 K CB 1.863 34.423 32.500 0.100 0.000 0.976 374 K HN 0.577 nan 8.250 nan 0.000 0.472 375 I N 0.434 121.226 120.570 0.371 0.000 2.827 375 I HA 0.299 4.471 4.170 0.004 0.000 0.298 375 I C -1.062 175.253 176.117 0.330 0.000 1.235 375 I CA -0.663 60.799 61.300 0.271 0.000 1.021 375 I CB 1.942 40.002 38.000 0.100 0.000 1.259 375 I HN 0.761 nan 8.210 nan 0.000 0.427 376 A N 5.490 128.418 122.820 0.179 0.000 2.425 376 A HA 0.516 4.838 4.320 0.004 0.000 0.242 376 A C -1.259 176.371 177.584 0.077 0.000 1.077 376 A CA 0.358 52.483 52.037 0.145 0.000 0.781 376 A CB 0.057 19.022 19.000 -0.058 0.000 1.020 376 A HN 0.504 nan 8.150 nan 0.000 0.494 377 F N 0.343 120.325 119.950 0.053 0.000 2.467 377 F HA 0.557 5.086 4.527 0.004 0.000 0.336 377 F C 0.528 176.347 175.800 0.032 0.000 1.123 377 F CA -0.192 57.839 58.000 0.051 0.000 0.964 377 F CB 2.082 41.122 39.000 0.066 0.000 1.136 377 F HN 0.642 nan 8.300 nan 0.000 0.447 378 A N 3.571 126.460 122.820 0.116 0.000 2.267 378 A HA 0.552 4.874 4.320 0.004 0.000 0.315 378 A C -0.214 177.430 177.584 0.100 0.000 1.297 378 A CA -0.765 51.323 52.037 0.085 0.000 0.865 378 A CB -0.047 18.968 19.000 0.025 0.000 1.165 378 A HN 0.800 nan 8.150 nan 0.000 0.513 379 N N 2.006 120.775 118.700 0.116 0.000 2.667 379 N HA -0.236 4.506 4.740 0.004 0.000 0.263 379 N C 0.151 175.734 175.510 0.121 0.000 1.038 379 N CA 1.620 54.727 53.050 0.095 0.000 0.749 379 N CB -1.514 37.002 38.487 0.048 0.000 0.892 379 N HN 0.947 nan 8.380 nan 0.000 0.546 380 N N -3.153 115.666 118.700 0.198 0.000 2.984 380 N HA -0.179 4.564 4.740 0.004 0.000 0.227 380 N C -1.035 174.655 175.510 0.301 0.000 0.903 380 N CA 1.457 54.646 53.050 0.231 0.000 0.995 380 N CB -0.694 37.872 38.487 0.131 0.000 1.065 380 N HN 0.446 nan 8.380 nan 0.000 0.585 381 S N -0.364 115.473 115.700 0.228 0.000 2.548 381 S HA 0.649 5.121 4.470 0.004 0.000 0.286 381 S C -0.139 174.261 174.600 -0.332 0.000 1.098 381 S CA -0.537 57.672 58.200 0.016 0.000 0.930 381 S CB 1.970 65.170 63.200 0.001 0.000 1.070 381 S HN 0.399 nan 8.310 nan 0.000 0.480 382 V N 2.382 121.941 119.914 -0.592 0.000 2.843 382 V HA 0.613 4.736 4.120 0.004 0.000 0.305 382 V C -0.143 175.756 176.094 -0.325 0.000 1.065 382 V CA 0.042 61.914 62.300 -0.713 0.000 1.116 382 V CB 0.435 31.984 31.823 -0.456 0.000 0.968 382 V HN 0.808 nan 8.190 nan 0.000 0.487 383 I N 3.909 124.313 120.570 -0.277 0.000 2.610 383 I HA 0.450 4.622 4.170 0.004 0.000 0.289 383 I C 0.335 176.340 176.117 -0.187 0.000 1.163 383 I CA -0.712 60.490 61.300 -0.164 0.000 1.044 383 I CB 2.050 39.997 38.000 -0.088 0.000 1.251 383 I HN 0.899 nan 8.210 nan 0.000 0.424 384 N N 6.753 125.326 118.700 -0.211 0.000 2.416 384 N HA -0.110 4.633 4.740 0.004 0.000 0.215 384 N C 0.823 176.295 175.510 -0.063 0.000 1.208 384 N CA -0.085 52.783 53.050 -0.302 0.000 0.834 384 N CB 0.112 38.313 38.487 -0.476 0.000 1.072 384 N HN 0.846 nan 8.380 nan 0.000 0.472 385 Q N -0.771 119.023 119.800 -0.011 0.000 2.364 385 Q HA 0.130 4.472 4.340 0.004 0.000 0.207 385 Q C -0.043 175.976 176.000 0.030 0.000 0.970 385 Q CA 0.744 56.588 55.803 0.068 0.000 0.888 385 Q CB 0.135 28.888 28.738 0.024 0.000 0.951 385 Q HN 0.310 nan 8.270 nan 0.000 0.469 386 A N 0.835 123.642 122.820 -0.022 0.000 2.459 386 A HA 0.692 5.015 4.320 0.004 0.000 0.296 386 A C -1.483 176.204 177.584 0.170 0.000 1.039 386 A CA -0.801 51.187 52.037 -0.082 0.000 0.698 386 A CB 1.401 20.035 19.000 -0.609 0.000 1.261 386 A HN 0.240 nan 8.150 nan 0.000 0.405 387 L N 2.279 123.695 121.223 0.320 0.000 2.434 387 L HA 0.666 5.008 4.340 0.004 0.000 0.260 387 L C -1.037 175.992 176.870 0.264 0.000 0.983 387 L CA -0.478 54.531 54.840 0.282 0.000 0.820 387 L CB 2.382 44.549 42.059 0.179 0.000 1.361 387 L HN 0.647 nan 8.230 nan 0.000 0.410 388 I N 1.218 121.881 120.570 0.154 0.000 2.545 388 I HA 0.601 4.774 4.170 0.004 0.000 0.292 388 I C -0.564 175.590 176.117 0.063 0.000 1.040 388 I CA -0.404 60.917 61.300 0.034 0.000 1.068 388 I CB 2.220 40.139 38.000 -0.134 0.000 1.251 388 I HN 0.518 nan 8.210 nan 0.000 0.424 389 S N 5.984 121.710 115.700 0.042 0.000 2.548 389 S HA 0.514 4.987 4.470 0.004 0.000 0.278 389 S C -0.857 173.761 174.600 0.029 0.000 1.150 389 S CA -0.664 57.569 58.200 0.055 0.000 0.907 389 S CB 1.083 64.326 63.200 0.072 0.000 1.108 389 S HN 0.476 nan 8.310 nan 0.000 0.459 390 L N 3.713 124.957 121.223 0.034 0.000 2.483 390 L HA 0.234 4.577 4.340 0.004 0.000 0.275 390 L C 0.946 177.834 176.870 0.029 0.000 1.220 390 L CA -0.102 54.754 54.840 0.026 0.000 0.833 390 L CB 0.244 42.322 42.059 0.033 0.000 1.102 390 L HN 0.682 nan 8.230 nan 0.000 0.490 391 K N 2.872 123.287 120.400 0.024 0.000 2.447 391 K HA -0.070 4.252 4.320 0.004 0.000 0.281 391 K C -0.248 176.371 176.600 0.032 0.000 1.031 391 K CA -0.141 56.165 56.287 0.031 0.000 1.019 391 K CB 0.270 32.790 32.500 0.033 0.000 0.918 391 K HN 0.609 nan 8.250 nan 0.000 0.476 392 D N 1.754 122.172 120.400 0.030 0.000 2.772 392 D HA -0.165 4.477 4.640 0.004 0.000 0.233 392 D C -0.320 176.003 176.300 0.039 0.000 1.143 392 D CA 1.477 55.493 54.000 0.026 0.000 0.700 392 D CB -1.354 39.462 40.800 0.027 0.000 1.076 392 D HN 0.686 nan 8.370 nan 0.000 0.430 393 S N -1.197 114.528 115.700 0.043 0.000 2.579 393 S HA 0.189 4.662 4.470 0.004 0.000 0.275 393 S C 1.229 175.871 174.600 0.071 0.000 1.345 393 S CA -0.464 57.779 58.200 0.071 0.000 1.031 393 S CB 1.221 64.466 63.200 0.075 0.000 0.892 393 S HN 0.238 nan 8.310 nan 0.000 0.529 394 Y N 1.450 121.741 120.300 -0.014 0.000 2.181 394 Y HA -0.115 4.438 4.550 0.004 0.000 0.288 394 Y C 2.688 178.555 175.900 -0.054 0.000 1.146 394 Y CA 1.764 59.840 58.100 -0.040 0.000 1.164 394 Y CB -0.728 37.680 38.460 -0.087 0.000 0.982 394 Y HN 0.879 nan 8.280 nan 0.000 0.515 395 C N -0.162 119.196 119.300 0.097 0.000 2.440 395 C HA -0.129 4.334 4.460 0.004 0.000 0.278 395 C C 3.138 178.074 174.990 -0.089 0.000 1.295 395 C CA 1.654 60.685 59.018 0.023 0.000 1.738 395 C CB -1.584 26.237 27.740 0.134 0.000 1.987 395 C HN 0.791 nan 8.230 nan 0.000 0.492 396 S N 0.131 115.800 115.700 -0.052 0.000 2.442 396 S HA -0.179 4.293 4.470 0.004 0.000 0.236 396 S C 1.344 175.855 174.600 -0.149 0.000 1.007 396 S CA 1.984 60.133 58.200 -0.085 0.000 0.965 396 S CB -0.528 62.656 63.200 -0.027 0.000 0.773 396 S HN 0.628 nan 8.310 nan 0.000 0.504 397 D N 1.485 121.768 120.400 -0.194 0.000 2.162 397 D HA 0.105 4.747 4.640 0.004 0.000 0.203 397 D C 1.954 178.093 176.300 -0.267 0.000 0.967 397 D CA 0.759 54.616 54.000 -0.238 0.000 0.840 397 D CB -0.247 40.362 40.800 -0.319 0.000 0.972 397 D HN 0.402 nan 8.370 nan 0.000 0.482 398 L N 0.269 121.307 121.223 -0.308 0.000 2.056 398 L HA -0.120 4.222 4.340 0.004 0.000 0.207 398 L C 2.512 179.219 176.870 -0.271 0.000 1.078 398 L CA 0.576 55.257 54.840 -0.265 0.000 0.749 398 L CB -0.317 41.610 42.059 -0.220 0.000 0.901 398 L HN -0.070 nan 8.230 nan 0.000 0.433 399 V N 0.202 119.921 119.914 -0.326 0.000 2.343 399 V HA -0.291 3.831 4.120 0.004 0.000 0.247 399 V C 2.309 178.209 176.094 -0.323 0.000 1.051 399 V CA 1.793 63.823 62.300 -0.451 0.000 1.036 399 V CB -0.287 31.147 31.823 -0.648 0.000 0.654 399 V HN 0.315 nan 8.190 nan 0.000 0.451 400 I N 0.527 120.952 120.570 -0.241 0.000 2.315 400 I HA -0.202 3.971 4.170 0.004 0.000 0.248 400 I C 2.280 178.314 176.117 -0.138 0.000 1.117 400 I CA 1.285 62.484 61.300 -0.169 0.000 1.404 400 I CB -0.466 37.452 38.000 -0.137 0.000 1.071 400 I HN 0.362 nan 8.210 nan 0.000 0.419 401 N N 0.482 119.092 118.700 -0.150 0.000 2.223 401 N HA -0.168 4.575 4.740 0.004 0.000 0.185 401 N C 1.826 177.265 175.510 -0.118 0.000 1.016 401 N CA 0.942 53.919 53.050 -0.122 0.000 0.863 401 N CB -0.244 38.167 38.487 -0.126 0.000 0.983 401 N HN 0.393 nan 8.380 nan 0.000 0.429 402 Q N 0.784 120.492 119.800 -0.153 0.000 2.016 402 Q HA 0.004 4.347 4.340 0.004 0.000 0.200 402 Q C 2.307 178.258 176.000 -0.082 0.000 0.978 402 Q CA 0.725 56.440 55.803 -0.147 0.000 0.833 402 Q CB -0.388 28.230 28.738 -0.200 0.000 0.895 402 Q HN 0.442 nan 8.270 nan 0.000 0.427 403 I N 0.902 121.436 120.570 -0.059 0.000 2.185 403 I HA -0.340 3.833 4.170 0.004 0.000 0.246 403 I C 2.577 178.791 176.117 0.161 0.000 1.088 403 I CA 1.478 62.825 61.300 0.078 0.000 1.347 403 I CB -0.327 37.684 38.000 0.018 0.000 1.041 403 I HN 0.223 nan 8.210 nan 0.000 0.415 404 K N 1.145 121.568 120.400 0.039 0.000 2.062 404 K HA -0.127 4.196 4.320 0.004 0.000 0.205 404 K C 1.767 178.390 176.600 0.038 0.000 1.051 404 K CA 1.634 57.939 56.287 0.030 0.000 0.941 404 K CB -0.018 32.465 32.500 -0.029 0.000 0.719 404 K HN 0.333 nan 8.250 nan 0.000 0.440 405 N N -0.146 118.543 118.700 -0.019 0.000 2.216 405 N HA -0.070 4.673 4.740 0.004 0.000 0.183 405 N C 1.732 177.194 175.510 -0.081 0.000 1.017 405 N CA 0.819 53.833 53.050 -0.060 0.000 0.861 405 N CB 0.110 38.533 38.487 -0.107 0.000 0.986 405 N HN 0.107 nan 8.380 nan 0.000 0.428 406 R N -0.313 120.140 120.500 -0.079 0.000 2.073 406 R HA -0.042 4.300 4.340 0.004 0.000 0.229 406 R C 1.405 177.749 176.300 0.074 0.000 1.120 406 R CA 1.083 57.131 56.100 -0.088 0.000 0.967 406 R CB -0.280 30.006 30.300 -0.024 0.000 0.862 406 R HN 0.315 nan 8.270 nan 0.000 0.436 407 Y N 0.940 121.263 120.300 0.039 0.000 2.439 407 Y HA -0.130 4.422 4.550 0.004 0.000 0.292 407 Y C 2.345 178.245 175.900 0.001 0.000 1.130 407 Y CA 1.185 59.294 58.100 0.014 0.000 1.254 407 Y CB 0.032 38.488 38.460 -0.007 0.000 1.000 407 Y HN -0.017 nan 8.280 nan 0.000 0.554 408 K N 0.332 120.815 120.400 0.139 0.000 2.002 408 K HA -0.174 4.148 4.320 0.004 0.000 0.209 408 K C 1.755 178.395 176.600 0.067 0.000 1.048 408 K CA 1.638 57.971 56.287 0.075 0.000 0.930 408 K CB -0.230 32.290 32.500 0.032 0.000 0.714 408 K HN 0.078 nan 8.250 nan 0.000 0.438 409 I N 1.568 122.177 120.570 0.066 0.000 2.069 409 I HA -0.296 3.876 4.170 0.004 0.000 0.237 409 I C 2.459 178.649 176.117 0.122 0.000 1.053 409 I CA 1.180 62.538 61.300 0.097 0.000 1.311 409 I CB -1.415 36.671 38.000 0.144 0.000 1.030 409 I HN 0.324 nan 8.210 nan 0.000 0.398 410 L N 1.488 122.777 121.223 0.110 0.000 1.997 410 L HA -0.257 4.085 4.340 0.004 0.000 0.216 410 L C 2.239 179.128 176.870 0.032 0.000 1.074 410 L CA 2.069 56.926 54.840 0.029 0.000 0.763 410 L CB -0.776 41.133 42.059 -0.249 0.000 0.890 410 L HN 0.251 nan 8.230 nan 0.000 0.434 411 N N -0.216 118.498 118.700 0.023 0.000 2.135 411 N HA -0.155 4.588 4.740 0.004 0.000 0.186 411 N C 1.499 177.036 175.510 0.045 0.000 1.027 411 N CA 1.487 54.551 53.050 0.024 0.000 0.849 411 N CB -0.601 37.920 38.487 0.057 0.000 1.002 411 N HN 0.406 nan 8.380 nan 0.000 0.425 412 D N 0.710 121.144 120.400 0.057 0.000 2.271 412 D HA -0.101 4.542 4.640 0.004 0.000 0.207 412 D C 1.134 177.479 176.300 0.075 0.000 0.983 412 D CA 0.868 54.900 54.000 0.054 0.000 0.878 412 D CB -0.111 40.716 40.800 0.046 0.000 0.920 412 D HN 0.355 nan 8.370 nan 0.000 0.479 413 N N -0.590 118.184 118.700 0.124 0.000 2.463 413 N HA 0.001 4.743 4.740 0.004 0.000 0.183 413 N C 1.643 177.315 175.510 0.271 0.000 1.064 413 N CA -0.069 53.100 53.050 0.198 0.000 0.879 413 N CB 0.403 39.023 38.487 0.220 0.000 1.148 413 N HN 0.118 nan 8.380 nan 0.000 0.451 414 L N 1.934 123.244 121.223 0.145 0.000 2.127 414 L HA 0.147 4.490 4.340 0.004 0.000 0.203 414 L C 1.483 178.313 176.870 -0.067 0.000 1.080 414 L CA 1.429 56.169 54.840 -0.167 0.000 0.768 414 L CB -0.737 41.026 42.059 -0.494 0.000 0.924 414 L HN 0.041 nan 8.230 nan 0.000 0.444 415 N N 0.127 118.819 118.700 -0.013 0.000 2.043 415 N HA -0.168 4.574 4.740 0.004 0.000 0.193 415 N C -1.061 174.463 175.510 0.024 0.000 1.037 415 N CA 1.718 54.773 53.050 0.009 0.000 0.851 415 N CB -1.086 37.411 38.487 0.017 0.000 1.027 415 N HN 0.328 nan 8.380 nan 0.000 0.422 416 P HA -0.057 nan 4.420 nan 0.000 0.216 416 P C 1.056 178.383 177.300 0.044 0.000 1.150 416 P CA 1.286 64.409 63.100 0.039 0.000 0.837 416 P CB 0.068 31.794 31.700 0.044 0.000 0.786 417 S N -0.330 115.403 115.700 0.054 0.000 2.348 417 S HA -0.136 4.336 4.470 0.004 0.000 0.221 417 S C 1.942 176.563 174.600 0.035 0.000 1.033 417 S CA 1.128 59.359 58.200 0.052 0.000 1.010 417 S CB -1.198 62.052 63.200 0.084 0.000 0.891 417 S HN 0.115 nan 8.310 nan 0.000 0.442 418 I N 2.348 122.938 120.570 0.035 0.000 2.194 418 I HA -0.267 3.906 4.170 0.004 0.000 0.246 418 I C 2.076 178.248 176.117 0.093 0.000 1.093 418 I CA 1.043 62.400 61.300 0.095 0.000 1.355 418 I CB -0.506 37.555 38.000 0.101 0.000 1.046 418 I HN 0.256 nan 8.210 nan 0.000 0.413 419 N N 1.103 119.839 118.700 0.060 0.000 2.166 419 N HA -0.149 4.593 4.740 0.004 0.000 0.186 419 N C 0.547 176.086 175.510 0.048 0.000 1.019 419 N CA 0.980 54.060 53.050 0.050 0.000 0.856 419 N CB -0.315 38.192 38.487 0.035 0.000 0.993 419 N HN 0.597 nan 8.380 nan 0.000 0.426 420 E N -0.368 119.858 120.200 0.043 0.000 2.103 420 E HA 0.602 4.954 4.350 0.004 0.000 0.254 420 E C -0.377 176.243 176.600 0.034 0.000 0.940 420 E CA -0.972 55.449 56.400 0.036 0.000 0.771 420 E CB 0.798 30.513 29.700 0.026 0.000 1.153 420 E HN 0.073 nan 8.360 nan 0.000 0.428 421 G N 1.624 110.452 108.800 0.046 0.000 2.093 421 G HA2 0.068 4.031 3.960 0.004 0.000 0.298 421 G HA3 0.068 4.031 3.960 0.004 0.000 0.298 421 G C 0.290 175.238 174.900 0.080 0.000 1.713 421 G CA -0.289 44.837 45.100 0.044 0.000 0.907 421 G HN 0.319 nan 8.290 nan 0.000 0.702 422 T N -1.638 112.956 114.554 0.067 0.000 3.051 422 T HA 0.255 4.608 4.350 0.004 0.000 0.269 422 T C 0.601 175.381 174.700 0.133 0.000 1.127 422 T CA 1.745 63.897 62.100 0.087 0.000 1.107 422 T CB -0.224 68.681 68.868 0.061 0.000 0.898 422 T HN 1.086 nan 8.240 nan 0.000 0.517 423 D N -1.310 119.175 120.400 0.143 0.000 2.769 423 D HA 0.099 4.742 4.640 0.004 0.000 0.309 423 D C 0.190 176.504 176.300 0.023 0.000 1.315 423 D CA -1.037 53.070 54.000 0.178 0.000 0.780 423 D CB -0.009 40.861 40.800 0.117 0.000 1.312 423 D HN -0.106 nan 8.370 nan 0.000 0.437 424 F N 1.446 121.278 119.950 -0.195 0.000 2.069 424 F HA -0.102 4.427 4.527 0.003 0.000 0.298 424 F C 1.737 177.355 175.800 -0.303 0.000 1.113 424 F CA 2.047 59.730 58.000 -0.528 0.000 1.214 424 F CB -0.526 38.307 39.000 -0.280 0.000 0.978 424 F HN 0.274 nan 8.300 nan 0.000 0.474 425 N N -0.150 118.405 118.700 -0.242 0.000 2.084 425 N HA -0.148 4.594 4.740 0.004 0.000 0.190 425 N C 1.866 177.216 175.510 -0.268 0.000 1.030 425 N CA 2.162 55.025 53.050 -0.311 0.000 0.849 425 N CB -1.060 37.371 38.487 -0.092 0.000 1.012 425 N HN 0.301 nan 8.380 nan 0.000 0.423 426 T N 0.811 115.271 114.554 -0.157 0.000 2.684 426 T HA -0.118 4.235 4.350 0.004 0.000 0.267 426 T C 1.913 176.532 174.700 -0.134 0.000 1.036 426 T CA 1.795 63.831 62.100 -0.108 0.000 1.148 426 T CB -0.611 68.229 68.868 -0.047 0.000 0.863 426 T HN 0.326 nan 8.240 nan 0.000 0.436 427 T N 2.412 116.849 114.554 -0.196 0.000 2.684 427 T HA -0.050 4.302 4.350 0.004 0.000 0.267 427 T C 2.043 176.635 174.700 -0.181 0.000 1.036 427 T CA 1.021 63.011 62.100 -0.183 0.000 1.148 427 T CB -0.265 68.439 68.868 -0.274 0.000 0.863 427 T HN 0.206 nan 8.240 nan 0.000 0.436 428 M N 0.798 120.185 119.600 -0.354 0.000 2.159 428 M HA -0.022 4.461 4.480 0.004 0.000 0.263 428 M C 2.072 178.313 176.300 -0.100 0.000 1.063 428 M CA 1.533 56.672 55.300 -0.269 0.000 1.110 428 M CB -0.733 31.509 32.600 -0.596 0.000 1.374 428 M HN 0.240 nan 8.290 nan 0.000 0.411 429 K N 0.330 120.655 120.400 -0.125 0.000 1.984 429 K HA -0.050 4.272 4.320 0.004 0.000 0.209 429 K C 1.916 178.496 176.600 -0.034 0.000 1.046 429 K CA 1.005 57.247 56.287 -0.076 0.000 0.934 429 K CB -0.224 32.230 32.500 -0.076 0.000 0.717 429 K HN 0.099 nan 8.250 nan 0.000 0.438 430 I N 0.951 121.511 120.570 -0.017 0.000 2.182 430 I HA -0.326 3.846 4.170 0.004 0.000 0.248 430 I C 2.264 178.426 176.117 0.075 0.000 1.073 430 I CA 1.672 62.984 61.300 0.020 0.000 1.335 430 I CB -1.029 36.988 38.000 0.027 0.000 1.031 430 I HN 0.106 nan 8.210 nan 0.000 0.420 431 F N 2.335 122.234 119.950 -0.084 0.000 2.060 431 F HA -0.235 4.294 4.527 0.004 0.000 0.295 431 F C 2.955 178.714 175.800 -0.067 0.000 1.120 431 F CA 1.861 59.818 58.000 -0.071 0.000 1.205 431 F CB -0.782 38.170 39.000 -0.081 0.000 0.986 431 F HN 0.197 nan 8.300 nan 0.000 0.470 432 S N 0.042 115.630 115.700 -0.187 0.000 2.359 432 S HA -0.245 4.228 4.470 0.004 0.000 0.224 432 S C 1.813 176.282 174.600 -0.219 0.000 1.035 432 S CA 1.487 59.517 58.200 -0.283 0.000 1.018 432 S CB -1.051 62.059 63.200 -0.151 0.000 0.876 432 S HN 0.422 nan 8.310 nan 0.000 0.448 433 D N 2.005 122.330 120.400 -0.124 0.000 2.126 433 D HA -0.119 4.523 4.640 0.004 0.000 0.190 433 D C 2.022 178.266 176.300 -0.094 0.000 1.001 433 D CA 1.598 55.546 54.000 -0.088 0.000 0.841 433 D CB -0.362 40.408 40.800 -0.050 0.000 0.949 433 D HN 0.543 nan 8.370 nan 0.000 0.446 434 K N 0.043 120.389 120.400 -0.091 0.000 2.032 434 K HA -0.079 4.244 4.320 0.004 0.000 0.209 434 K C 2.353 178.882 176.600 -0.118 0.000 1.048 434 K CA 0.717 56.961 56.287 -0.071 0.000 0.927 434 K CB -0.249 32.248 32.500 -0.005 0.000 0.712 434 K HN 0.177 nan 8.250 nan 0.000 0.441 435 L N 0.409 121.490 121.223 -0.238 0.000 2.131 435 L HA -0.159 4.183 4.340 0.004 0.000 0.210 435 L C 2.589 179.372 176.870 -0.145 0.000 1.092 435 L CA 0.863 55.564 54.840 -0.233 0.000 0.759 435 L CB -0.660 41.154 42.059 -0.409 0.000 0.903 435 L HN 0.218 nan 8.230 nan 0.000 0.435 436 A N -0.392 122.344 122.820 -0.139 0.000 1.877 436 A HA -0.185 4.137 4.320 0.004 0.000 0.216 436 A C 2.378 179.925 177.584 -0.062 0.000 1.186 436 A CA 2.053 54.034 52.037 -0.092 0.000 0.620 436 A CB -0.588 18.361 19.000 -0.085 0.000 0.822 436 A HN 0.359 nan 8.150 nan 0.000 0.443 437 S N -0.808 114.858 115.700 -0.057 0.000 2.603 437 S HA 0.111 4.583 4.470 0.004 0.000 0.229 437 S C 1.037 175.620 174.600 -0.029 0.000 0.972 437 S CA 1.061 59.239 58.200 -0.037 0.000 0.935 437 S CB -0.475 62.706 63.200 -0.032 0.000 0.769 437 S HN 0.780 nan 8.310 nan 0.000 0.536 438 I N -1.863 118.688 120.570 -0.031 0.000 4.026 438 I HA 0.350 4.523 4.170 0.004 0.000 0.324 438 I C 0.033 176.141 176.117 -0.014 0.000 1.474 438 I CA -0.637 60.651 61.300 -0.020 0.000 1.107 438 I CB 0.495 38.486 38.000 -0.015 0.000 1.345 438 I HN 0.011 nan 8.210 nan 0.000 0.531 439 S N 1.504 117.192 115.700 -0.019 0.000 2.616 439 S HA 0.803 5.276 4.470 0.004 0.000 0.277 439 S C -0.286 174.310 174.600 -0.007 0.000 1.234 439 S CA -0.348 57.846 58.200 -0.010 0.000 1.028 439 S CB 1.308 64.495 63.200 -0.022 0.000 0.988 439 S HN 0.659 nan 8.310 nan 0.000 0.522 440 N N -0.747 117.954 118.700 0.002 0.000 3.277 440 N HA 0.228 4.971 4.740 0.004 0.000 0.278 440 N C 0.275 175.790 175.510 0.008 0.000 1.544 440 N CA -0.821 52.229 53.050 0.001 0.000 0.869 440 N CB 0.352 38.838 38.487 -0.001 0.000 1.584 440 N HN 0.624 nan 8.380 nan 0.000 0.564 441 E N -0.649 119.555 120.200 0.008 0.000 2.110 441 E HA -0.264 4.089 4.350 0.004 0.000 0.193 441 E C 0.227 176.839 176.600 0.019 0.000 0.988 441 E CA 1.673 58.081 56.400 0.012 0.000 0.804 441 E CB -0.124 29.582 29.700 0.010 0.000 0.745 441 E HN 0.618 nan 8.360 nan 0.000 0.458 442 D N 0.094 120.504 120.400 0.016 0.000 2.149 442 D HA -0.124 4.518 4.640 0.004 0.000 0.201 442 D C 1.449 177.762 176.300 0.022 0.000 0.972 442 D CA 1.383 55.394 54.000 0.018 0.000 0.835 442 D CB -0.031 40.774 40.800 0.009 0.000 0.966 442 D HN 0.316 nan 8.370 nan 0.000 0.476 443 N N -0.764 117.951 118.700 0.026 0.000 2.184 443 N HA -0.012 4.731 4.740 0.004 0.000 0.206 443 N C 1.336 176.909 175.510 0.106 0.000 1.151 443 N CA 0.036 53.118 53.050 0.052 0.000 0.878 443 N CB -0.347 38.155 38.487 0.025 0.000 1.014 443 N HN 0.033 nan 8.380 nan 0.000 0.512 444 M N 0.536 120.173 119.600 0.061 0.000 2.082 444 M HA -0.011 4.472 4.480 0.004 0.000 0.258 444 M C 1.552 177.880 176.300 0.045 0.000 1.069 444 M CA 1.615 56.940 55.300 0.042 0.000 1.102 444 M CB -0.361 32.251 32.600 0.020 0.000 1.336 444 M HN 0.105 nan 8.290 nan 0.000 0.404 445 M N -0.979 118.657 119.600 0.061 0.000 2.159 445 M HA -0.127 4.356 4.480 0.004 0.000 0.263 445 M C 2.285 178.623 176.300 0.062 0.000 1.063 445 M CA 1.543 56.874 55.300 0.051 0.000 1.110 445 M CB -1.600 31.034 32.600 0.056 0.000 1.374 445 M HN 0.475 nan 8.290 nan 0.000 0.411 446 F N 1.326 121.257 119.950 -0.030 0.000 2.126 446 F HA -0.256 4.274 4.527 0.005 0.000 0.299 446 F C 2.098 177.867 175.800 -0.051 0.000 1.096 446 F CA 1.523 59.499 58.000 -0.041 0.000 1.255 446 F CB -0.189 38.783 39.000 -0.047 0.000 0.997 446 F HN 0.008 nan 8.300 nan 0.000 0.479 447 M N 0.142 119.724 119.600 -0.029 0.000 2.117 447 M HA -0.199 4.283 4.480 0.004 0.000 0.262 447 M C 2.261 178.430 176.300 -0.219 0.000 1.065 447 M CA 1.277 56.483 55.300 -0.156 0.000 1.114 447 M CB -1.240 31.336 32.600 -0.040 0.000 1.361 447 M HN 0.204 nan 8.290 nan 0.000 0.408 448 I N 0.395 120.884 120.570 -0.134 0.000 2.163 448 I HA -0.247 3.925 4.170 0.004 0.000 0.240 448 I C 2.151 178.195 176.117 -0.121 0.000 1.081 448 I CA 1.480 62.715 61.300 -0.108 0.000 1.353 448 I CB -1.174 36.791 38.000 -0.057 0.000 1.054 448 I HN 0.302 nan 8.210 nan 0.000 0.407 449 K N 0.189 120.506 120.400 -0.138 0.000 2.209 449 K HA -0.125 4.198 4.320 0.004 0.000 0.204 449 K C 1.907 178.409 176.600 -0.163 0.000 1.048 449 K CA 1.071 57.284 56.287 -0.123 0.000 0.940 449 K CB -0.094 32.343 32.500 -0.105 0.000 0.729 449 K HN 0.130 nan 8.250 nan 0.000 0.451 450 I N 0.652 121.036 120.570 -0.310 0.000 2.876 450 I HA -0.134 4.039 4.170 0.004 0.000 0.264 450 I C 1.672 177.775 176.117 -0.023 0.000 1.204 450 I CA 1.188 62.308 61.300 -0.299 0.000 1.485 450 I CB -0.104 37.440 38.000 -0.761 0.000 1.103 450 I HN 0.075 nan 8.210 nan 0.000 0.446 451 T N 0.790 115.305 114.554 -0.065 0.000 2.803 451 T HA -0.134 4.219 4.350 0.004 0.000 0.269 451 T C 1.464 176.318 174.700 0.257 0.000 1.052 451 T CA 1.269 63.385 62.100 0.026 0.000 1.136 451 T CB -0.262 68.546 68.868 -0.100 0.000 0.864 451 T HN 0.285 nan 8.240 nan 0.000 0.467 452 N N 0.374 119.172 118.700 0.165 0.000 2.313 452 N HA 0.093 4.835 4.740 0.004 0.000 0.207 452 N C 0.929 176.554 175.510 0.191 0.000 1.141 452 N CA -0.101 53.054 53.050 0.175 0.000 0.830 452 N CB -0.094 38.456 38.487 0.106 0.000 1.008 452 N HN 0.413 nan 8.380 nan 0.000 0.481 453 Y N 1.947 122.301 120.300 0.090 0.000 2.096 453 Y HA -0.262 4.290 4.550 0.004 0.000 0.276 453 Y C 1.831 177.755 175.900 0.041 0.000 1.209 453 Y CA 1.767 59.882 58.100 0.025 0.000 1.137 453 Y CB -0.347 38.107 38.460 -0.011 0.000 0.956 453 Y HN 0.074 nan 8.280 nan 0.000 0.506 454 L N -0.258 121.029 121.223 0.106 0.000 2.456 454 L HA -0.150 4.192 4.340 0.004 0.000 0.224 454 L C 1.955 178.944 176.870 0.197 0.000 1.148 454 L CA 1.156 56.067 54.840 0.118 0.000 0.825 454 L CB -0.397 41.850 42.059 0.312 0.000 0.937 454 L HN 0.167 nan 8.230 nan 0.000 0.450 455 K N -0.491 120.011 120.400 0.169 0.000 2.379 455 K HA 0.109 4.432 4.320 0.004 0.000 0.194 455 K C 0.449 177.063 176.600 0.023 0.000 1.031 455 K CA -0.138 56.266 56.287 0.195 0.000 1.037 455 K CB 0.452 33.063 32.500 0.186 0.000 0.824 455 K HN -0.009 nan 8.250 nan 0.000 0.516 456 V N 1.657 121.469 119.914 -0.169 0.000 2.509 456 V HA -0.029 4.094 4.120 0.004 0.000 0.297 456 V C 1.410 177.174 176.094 -0.551 0.000 1.014 456 V CA 1.498 63.627 62.300 -0.285 0.000 1.127 456 V CB 0.116 31.748 31.823 -0.318 0.000 0.925 456 V HN 0.769 nan 8.190 nan 0.000 0.480 457 G N 4.341 112.920 108.800 -0.367 0.000 2.217 457 G HA2 -0.292 3.670 3.960 0.004 0.000 0.246 457 G HA3 -0.292 3.670 3.960 0.004 0.000 0.246 457 G C 0.301 175.067 174.900 -0.224 0.000 0.990 457 G CA 0.517 45.377 45.100 -0.401 0.000 0.627 457 G HN 0.619 nan 8.290 nan 0.000 0.522 458 F N 1.006 120.989 119.950 0.056 0.000 2.712 458 F HA 0.748 5.278 4.527 0.004 0.000 0.297 458 F C 1.306 177.202 175.800 0.160 0.000 1.114 458 F CA -0.003 58.052 58.000 0.092 0.000 1.305 458 F CB 0.476 39.486 39.000 0.017 0.000 1.086 458 F HN 0.554 nan 8.300 nan 0.000 0.599 459 A N 0.567 123.532 122.820 0.242 0.000 2.539 459 A HA 0.744 5.066 4.320 0.004 0.000 0.296 459 A C -2.708 174.885 177.584 0.014 0.000 1.073 459 A CA -1.421 50.696 52.037 0.133 0.000 0.700 459 A CB 0.963 20.050 19.000 0.145 0.000 1.296 459 A HN -0.152 nan 8.150 nan 0.000 0.405 460 P HA 0.346 nan 4.420 nan 0.000 0.279 460 P C -0.952 176.338 177.300 -0.016 0.000 1.252 460 P CA 0.236 63.297 63.100 -0.066 0.000 0.811 460 P CB 0.519 32.140 31.700 -0.131 0.000 1.035 461 D N -1.025 119.374 120.400 -0.002 0.000 2.697 461 D HA -0.103 4.540 4.640 0.004 0.000 0.238 461 D C -0.673 175.634 176.300 0.012 0.000 1.152 461 D CA 0.722 54.727 54.000 0.010 0.000 0.666 461 D CB -1.241 39.568 40.800 0.015 0.000 1.037 461 D HN 0.044 nan 8.370 nan 0.000 0.423 462 V N 1.358 121.276 119.914 0.007 0.000 2.459 462 V HA 0.373 4.496 4.120 0.004 0.000 0.295 462 V C 1.229 177.323 176.094 -0.000 0.000 1.029 462 V CA -0.541 61.764 62.300 0.007 0.000 0.874 462 V CB 2.220 34.045 31.823 0.002 0.000 0.985 462 V HN 0.055 nan 8.190 nan 0.000 0.438 463 R N 1.944 122.444 120.500 0.000 0.000 2.543 463 R HA 0.225 4.568 4.340 0.004 0.000 0.323 463 R C 1.509 177.804 176.300 -0.008 0.000 1.002 463 R CA -0.044 56.054 56.100 -0.003 0.000 1.106 463 R CB 0.608 30.906 30.300 -0.004 0.000 1.280 463 R HN 0.656 nan 8.270 nan 0.000 0.549 464 S N 0.375 116.074 115.700 -0.003 0.000 2.383 464 S HA -0.094 4.378 4.470 0.004 0.000 0.227 464 S C 1.678 176.287 174.600 0.016 0.000 1.026 464 S CA 1.680 59.882 58.200 0.003 0.000 0.981 464 S CB 0.040 63.292 63.200 0.087 0.000 0.818 464 S HN 0.295 nan 8.310 nan 0.000 0.472 465 T N 2.746 117.316 114.554 0.027 0.000 2.708 465 T HA -0.015 4.337 4.350 0.004 0.000 0.266 465 T C 1.738 176.471 174.700 0.055 0.000 1.037 465 T CA 1.226 63.355 62.100 0.049 0.000 1.146 465 T CB -0.497 68.389 68.868 0.031 0.000 0.865 465 T HN 0.307 nan 8.240 nan 0.000 0.435 466 I N 1.948 122.541 120.570 0.039 0.000 2.315 466 I HA -0.198 3.975 4.170 0.004 0.000 0.251 466 I C 2.185 178.337 176.117 0.057 0.000 1.125 466 I CA 1.096 62.422 61.300 0.045 0.000 1.392 466 I CB -0.372 37.645 38.000 0.028 0.000 1.065 466 I HN 0.229 nan 8.210 nan 0.000 0.424 467 N N -0.309 118.420 118.700 0.049 0.000 2.415 467 N HA 0.023 4.765 4.740 0.004 0.000 0.176 467 N C 1.603 177.187 175.510 0.123 0.000 1.042 467 N CA 0.711 53.811 53.050 0.083 0.000 0.902 467 N CB 0.366 38.871 38.487 0.030 0.000 0.986 467 N HN 0.236 nan 8.380 nan 0.000 0.447 468 L N 0.093 121.350 121.223 0.058 0.000 2.316 468 L HA 0.141 4.484 4.340 0.004 0.000 0.207 468 L C 1.728 178.681 176.870 0.139 0.000 1.070 468 L CA 1.219 56.062 54.840 0.006 0.000 0.820 468 L CB -0.503 41.415 42.059 -0.234 0.000 0.992 468 L HN 0.133 nan 8.230 nan 0.000 0.466 469 S N -3.105 112.689 115.700 0.157 0.000 2.617 469 S HA 0.260 4.732 4.470 0.004 0.000 0.278 469 S C 0.963 175.650 174.600 0.146 0.000 1.082 469 S CA 0.198 58.503 58.200 0.176 0.000 1.228 469 S CB 0.292 63.634 63.200 0.236 0.000 1.130 469 S HN 0.179 nan 8.310 nan 0.000 0.621 470 G N 2.167 111.047 108.800 0.132 0.000 2.531 470 G HA2 0.512 4.475 3.960 0.004 0.000 0.253 470 G HA3 0.512 4.475 3.960 0.004 0.000 0.253 470 G C -1.839 173.171 174.900 0.184 0.000 1.439 470 G CA -1.340 43.842 45.100 0.137 0.000 1.056 470 G HN 0.113 nan 8.290 nan 0.000 0.555 471 P HA -0.124 nan 4.420 nan 0.000 0.218 471 P C 1.877 179.236 177.300 0.098 0.000 1.146 471 P CA 1.762 64.907 63.100 0.076 0.000 0.820 471 P CB -0.067 31.621 31.700 -0.020 0.000 0.778 472 G N -0.717 108.126 108.800 0.071 0.000 2.443 472 G HA2 -0.187 3.776 3.960 0.004 0.000 0.219 472 G HA3 -0.187 3.776 3.960 0.004 0.000 0.219 472 G C 1.486 176.382 174.900 -0.007 0.000 1.131 472 G CA 0.377 45.501 45.100 0.039 0.000 0.775 472 G HN 0.218 nan 8.290 nan 0.000 0.547 473 V N -0.546 119.358 119.914 -0.016 0.000 3.041 473 V HA -0.010 4.112 4.120 0.004 0.000 0.260 473 V C 2.076 177.949 176.094 -0.368 0.000 1.105 473 V CA 0.891 63.085 62.300 -0.176 0.000 1.125 473 V CB -0.533 31.169 31.823 -0.202 0.000 0.730 473 V HN 0.434 nan 8.190 nan 0.000 0.479 474 Y N 0.882 121.011 120.300 -0.285 0.000 2.343 474 Y HA -0.113 4.439 4.550 0.004 0.000 0.294 474 Y C 2.906 178.355 175.900 -0.753 0.000 1.122 474 Y CA 1.460 59.226 58.100 -0.558 0.000 1.173 474 Y CB -0.831 37.359 38.460 -0.450 0.000 1.077 474 Y HN 0.380 nan 8.280 nan 0.000 0.542 475 T N -2.470 111.983 114.554 -0.168 0.000 2.720 475 T HA -0.167 4.186 4.350 0.004 0.000 0.268 475 T C 2.295 176.923 174.700 -0.120 0.000 1.037 475 T CA 1.268 63.343 62.100 -0.041 0.000 1.144 475 T CB -1.196 67.678 68.868 0.011 0.000 0.864 475 T HN 0.373 nan 8.240 nan 0.000 0.444 476 G N 1.851 110.556 108.800 -0.158 0.000 2.511 476 G HA2 -0.045 3.918 3.960 0.004 0.000 0.216 476 G HA3 -0.045 3.918 3.960 0.004 0.000 0.216 476 G C 2.005 176.790 174.900 -0.192 0.000 1.218 476 G CA 1.356 46.363 45.100 -0.155 0.000 0.788 476 G HN 0.766 nan 8.290 nan 0.000 0.560 477 A N -0.047 122.587 122.820 -0.311 0.000 1.927 477 A HA -0.127 4.195 4.320 0.004 0.000 0.220 477 A C 2.301 179.749 177.584 -0.227 0.000 1.185 477 A CA 2.081 53.925 52.037 -0.323 0.000 0.639 477 A CB -0.707 17.998 19.000 -0.493 0.000 0.820 477 A HN 0.447 nan 8.150 nan 0.000 0.451 478 Y N -0.723 119.418 120.300 -0.264 0.000 2.263 478 Y HA -0.108 4.445 4.550 0.004 0.000 0.292 478 Y C 2.611 178.395 175.900 -0.193 0.000 1.130 478 Y CA 0.995 58.862 58.100 -0.388 0.000 1.179 478 Y CB -0.949 37.145 38.460 -0.609 0.000 0.998 478 Y HN 0.519 nan 8.280 nan 0.000 0.532 479 Q N 0.362 120.158 119.800 -0.007 0.000 2.020 479 Q HA -0.184 4.158 4.340 0.004 0.000 0.202 479 Q C 1.652 177.645 176.000 -0.013 0.000 0.982 479 Q CA 1.837 57.612 55.803 -0.046 0.000 0.838 479 Q CB -0.029 28.646 28.738 -0.105 0.000 0.899 479 Q HN 0.334 nan 8.270 nan 0.000 0.423 480 D N 0.447 120.841 120.400 -0.010 0.000 2.133 480 D HA -0.222 4.421 4.640 0.004 0.000 0.192 480 D C 1.871 178.221 176.300 0.083 0.000 1.001 480 D CA 1.075 55.097 54.000 0.038 0.000 0.844 480 D CB -0.383 40.427 40.800 0.015 0.000 0.944 480 D HN 0.216 nan 8.370 nan 0.000 0.447 481 L N 0.728 121.990 121.223 0.066 0.000 1.943 481 L HA -0.171 4.171 4.340 0.004 0.000 0.215 481 L C 2.364 179.197 176.870 -0.061 0.000 1.074 481 L CA 1.636 56.518 54.840 0.070 0.000 0.759 481 L CB -0.810 41.300 42.059 0.085 0.000 0.888 481 L HN 0.029 nan 8.230 nan 0.000 0.433 482 L N -1.243 119.935 121.223 -0.076 0.000 2.141 482 L HA -0.164 4.178 4.340 0.004 0.000 0.209 482 L C 1.964 178.569 176.870 -0.441 0.000 1.094 482 L CA 0.814 55.532 54.840 -0.203 0.000 0.763 482 L CB -0.429 41.633 42.059 0.005 0.000 0.908 482 L HN 0.375 nan 8.230 nan 0.000 0.437 483 M N -1.233 118.229 119.600 -0.230 0.000 2.371 483 M HA 0.161 4.644 4.480 0.004 0.000 0.246 483 M C -0.019 176.328 176.300 0.079 0.000 1.103 483 M CA -0.095 55.179 55.300 -0.044 0.000 1.010 483 M CB -0.289 32.387 32.600 0.126 0.000 1.457 483 M HN 0.066 nan 8.290 nan 0.000 0.486 484 F N 0.372 120.409 119.950 0.145 0.000 3.091 484 F HA -0.296 4.234 4.527 0.004 0.000 0.288 484 F C 0.496 176.354 175.800 0.097 0.000 0.907 484 F CA 0.493 58.558 58.000 0.109 0.000 1.028 484 F CB -1.964 37.018 39.000 -0.031 0.000 1.022 484 F HN 0.070 nan 8.300 nan 0.000 0.665 485 K N -0.061 120.463 120.400 0.206 0.000 2.303 485 K HA 0.645 4.968 4.320 0.004 0.000 0.233 485 K C 0.172 176.842 176.600 0.117 0.000 1.046 485 K CA -0.625 55.747 56.287 0.142 0.000 0.895 485 K CB 1.141 33.700 32.500 0.099 0.000 1.220 485 K HN -0.007 nan 8.250 nan 0.000 0.470 486 D N -0.665 119.774 120.400 0.065 0.000 2.672 486 D HA 0.177 4.820 4.640 0.004 0.000 0.287 486 D C -0.236 176.052 176.300 -0.021 0.000 1.559 486 D CA 0.035 54.051 54.000 0.027 0.000 0.796 486 D CB 0.384 41.208 40.800 0.039 0.000 1.181 486 D HN 0.269 nan 8.370 nan 0.000 0.458 487 N N -0.692 117.992 118.700 -0.026 0.000 2.036 487 N HA 0.051 4.793 4.740 0.004 0.000 0.228 487 N C -0.676 174.790 175.510 -0.073 0.000 1.368 487 N CA 0.033 53.045 53.050 -0.063 0.000 0.846 487 N CB 0.937 39.393 38.487 -0.052 0.000 1.145 487 N HN -0.162 nan 8.380 nan 0.000 0.502 488 S N 0.765 116.437 115.700 -0.046 0.000 3.225 488 S HA -0.046 4.426 4.470 0.004 0.000 0.378 488 S C 1.359 175.912 174.600 -0.077 0.000 1.190 488 S CA 0.864 59.039 58.200 -0.041 0.000 1.104 488 S CB 0.206 63.385 63.200 -0.036 0.000 0.795 488 S HN 0.467 nan 8.310 nan 0.000 0.517 489 T N -0.356 114.161 114.554 -0.062 0.000 2.989 489 T HA 0.161 4.513 4.350 0.004 0.000 0.250 489 T C 0.424 175.123 174.700 -0.002 0.000 0.981 489 T CA -0.276 61.784 62.100 -0.067 0.000 0.980 489 T CB -0.101 68.701 68.868 -0.110 0.000 1.133 489 T HN 0.419 nan 8.240 nan 0.000 0.489 490 N N 1.386 120.097 118.700 0.020 0.000 2.801 490 N HA 0.422 5.165 4.740 0.004 0.000 0.235 490 N C -1.256 174.293 175.510 0.066 0.000 1.069 490 N CA -0.658 52.423 53.050 0.052 0.000 0.946 490 N CB -0.290 38.235 38.487 0.063 0.000 1.212 490 N HN 0.241 nan 8.380 nan 0.000 0.509 491 I N 3.680 124.269 120.570 0.032 0.000 2.587 491 I HA -0.002 4.170 4.170 0.004 0.000 0.284 491 I C 1.743 177.882 176.117 0.036 0.000 1.134 491 I CA 0.301 61.592 61.300 -0.015 0.000 1.410 491 I CB 0.496 38.486 38.000 -0.018 0.000 1.392 491 I HN 0.620 nan 8.210 nan 0.000 0.545 492 H N 6.062 125.159 119.070 0.045 0.000 2.755 492 H HA 0.323 4.881 4.556 0.004 0.000 0.273 492 H C 0.224 175.586 175.328 0.057 0.000 1.055 492 H CA -0.416 55.660 56.048 0.046 0.000 1.191 492 H CB 0.176 29.962 29.762 0.040 0.000 1.536 492 H HN 0.340 nan 8.280 nan 0.000 0.529 493 L N 2.497 123.582 121.223 -0.231 0.000 2.416 493 L HA 0.199 4.542 4.340 0.004 0.000 0.272 493 L C -0.013 176.883 176.870 0.044 0.000 1.161 493 L CA -0.062 54.730 54.840 -0.081 0.000 0.845 493 L CB 1.147 43.146 42.059 -0.100 0.000 1.119 493 L HN 0.141 nan 8.230 nan 0.000 0.464 494 L N 2.203 123.478 121.223 0.086 0.000 2.334 494 L HA 0.269 4.612 4.340 0.004 0.000 0.270 494 L C 1.356 178.297 176.870 0.118 0.000 1.018 494 L CA -0.539 54.360 54.840 0.098 0.000 0.811 494 L CB 1.483 43.598 42.059 0.092 0.000 1.271 494 L HN 0.634 nan 8.230 nan 0.000 0.443 495 E N 1.444 121.721 120.200 0.129 0.000 2.097 495 E HA -0.197 4.156 4.350 0.004 0.000 0.196 495 E C -0.931 175.736 176.600 0.111 0.000 1.000 495 E CA 1.634 58.136 56.400 0.169 0.000 0.804 495 E CB -0.487 29.307 29.700 0.157 0.000 0.740 495 E HN 0.531 nan 8.360 nan 0.000 0.454 496 P HA -0.160 nan 4.420 nan 0.000 0.216 496 P C 0.599 177.921 177.300 0.036 0.000 1.150 496 P CA 1.529 64.643 63.100 0.024 0.000 0.837 496 P CB -0.048 31.668 31.700 0.026 0.000 0.786 497 E N -0.540 119.705 120.200 0.075 0.000 2.072 497 E HA -0.073 4.280 4.350 0.004 0.000 0.190 497 E C 1.992 178.688 176.600 0.161 0.000 0.982 497 E CA 0.774 57.230 56.400 0.093 0.000 0.803 497 E CB -0.634 29.129 29.700 0.106 0.000 0.755 497 E HN 0.248 nan 8.360 nan 0.000 0.453 498 L N 0.706 122.056 121.223 0.211 0.000 2.275 498 L HA -0.107 4.235 4.340 0.004 0.000 0.215 498 L C 2.405 179.526 176.870 0.418 0.000 1.119 498 L CA 0.749 55.791 54.840 0.338 0.000 0.790 498 L CB -0.226 42.057 42.059 0.374 0.000 0.919 498 L HN 0.022 nan 8.230 nan 0.000 0.443 499 R N -0.057 120.530 120.500 0.146 0.000 2.276 499 R HA -0.032 4.311 4.340 0.004 0.000 0.203 499 R C 1.550 177.795 176.300 -0.092 0.000 1.017 499 R CA 0.262 56.284 56.100 -0.129 0.000 1.010 499 R CB -0.271 29.845 30.300 -0.307 0.000 0.900 499 R HN 0.462 nan 8.270 nan 0.000 0.469 500 N N 0.261 118.897 118.700 -0.105 0.000 2.430 500 N HA -0.151 4.592 4.740 0.004 0.000 0.186 500 N C 0.362 175.569 175.510 -0.505 0.000 1.032 500 N CA 1.220 54.060 53.050 -0.351 0.000 0.893 500 N CB 0.017 38.184 38.487 -0.532 0.000 0.957 500 N HN 0.203 nan 8.380 nan 0.000 0.442 501 F N 0.644 120.531 119.950 -0.106 0.000 2.735 501 F HA 0.183 4.713 4.527 0.004 0.000 0.304 501 F C 0.457 176.321 175.800 0.106 0.000 1.119 501 F CA -0.743 57.194 58.000 -0.106 0.000 1.280 501 F CB 0.081 38.785 39.000 -0.494 0.000 0.994 501 F HN -0.104 nan 8.300 nan 0.000 0.520 502 E N 0.709 121.079 120.200 0.283 0.000 2.344 502 E HA 0.040 4.392 4.350 0.004 0.000 0.270 502 E C -0.305 176.464 176.600 0.281 0.000 1.021 502 E CA -0.718 55.903 56.400 0.369 0.000 0.887 502 E CB 0.783 30.519 29.700 0.060 0.000 0.997 502 E HN 0.225 nan 8.360 nan 0.000 0.429 503 F N 4.668 124.745 119.950 0.212 0.000 2.604 503 F HA -0.014 4.515 4.527 0.004 0.000 0.393 503 F C -1.532 174.330 175.800 0.102 0.000 1.043 503 F CA -1.419 56.665 58.000 0.139 0.000 1.227 503 F CB 0.499 39.580 39.000 0.135 0.000 1.016 503 F HN 0.436 nan 8.300 nan 0.000 0.556 504 P HA -0.087 nan 4.420 nan 0.000 0.260 504 P C -0.097 177.371 177.300 0.280 0.000 1.207 504 P CA 0.029 63.210 63.100 0.136 0.000 0.780 504 P CB 0.574 32.280 31.700 0.011 0.000 0.789 505 K N 2.918 123.436 120.400 0.197 0.000 2.107 505 K HA -0.237 4.086 4.320 0.004 0.000 0.211 505 K C 1.361 178.063 176.600 0.169 0.000 1.049 505 K CA 2.357 58.750 56.287 0.176 0.000 0.927 505 K CB -1.604 30.960 32.500 0.107 0.000 0.714 505 K HN 0.425 nan 8.250 nan 0.000 0.452 506 T N -1.308 113.333 114.554 0.144 0.000 3.035 506 T HA 0.007 4.360 4.350 0.004 0.000 0.268 506 T C 1.309 176.094 174.700 0.142 0.000 1.109 506 T CA 0.714 62.887 62.100 0.122 0.000 1.119 506 T CB -0.022 68.900 68.868 0.090 0.000 0.900 506 T HN 0.318 nan 8.240 nan 0.000 0.503 507 K N 0.577 121.110 120.400 0.222 0.000 2.493 507 K HA 0.543 4.866 4.320 0.004 0.000 0.207 507 K C -0.349 176.477 176.600 0.378 0.000 1.033 507 K CA -0.166 56.285 56.287 0.274 0.000 1.161 507 K CB 0.244 32.916 32.500 0.285 0.000 0.873 507 K HN 0.452 nan 8.250 nan 0.000 0.491 508 I N -0.438 120.270 120.570 0.231 0.000 2.785 508 I HA 0.094 4.266 4.170 0.004 0.000 0.293 508 I C -1.637 174.514 176.117 0.056 0.000 1.446 508 I CA -0.431 60.959 61.300 0.150 0.000 1.028 508 I CB 2.444 40.393 38.000 -0.086 0.000 1.349 508 I HN -0.190 nan 8.210 nan 0.000 0.438 509 S N 5.437 121.147 115.700 0.017 0.000 2.594 509 S HA 0.336 4.808 4.470 0.004 0.000 0.322 509 S C 0.176 174.795 174.600 0.032 0.000 1.085 509 S CA -0.513 57.696 58.200 0.014 0.000 1.116 509 S CB 1.688 64.872 63.200 -0.028 0.000 0.979 509 S HN 0.666 nan 8.310 nan 0.000 0.465 510 Q N 1.921 121.747 119.800 0.043 0.000 2.398 510 Q HA 0.251 4.593 4.340 0.004 0.000 0.204 510 Q C 0.219 176.265 176.000 0.077 0.000 0.932 510 Q CA 0.578 56.413 55.803 0.053 0.000 0.916 510 Q CB 0.103 28.862 28.738 0.036 0.000 1.024 510 Q HN 0.588 nan 8.270 nan 0.000 0.504 511 L N 2.680 123.950 121.223 0.078 0.000 2.796 511 L HA 0.163 4.506 4.340 0.004 0.000 0.235 511 L C 0.271 177.214 176.870 0.121 0.000 1.344 511 L CA -0.405 54.489 54.840 0.091 0.000 1.245 511 L CB -0.389 41.720 42.059 0.084 0.000 1.556 511 L HN 0.134 nan 8.230 nan 0.000 0.423 512 T N -5.045 109.597 114.554 0.148 0.000 2.934 512 T HA 0.158 4.510 4.350 0.004 0.000 0.283 512 T C 1.013 175.832 174.700 0.199 0.000 1.005 512 T CA -0.707 61.526 62.100 0.223 0.000 1.041 512 T CB 2.152 71.150 68.868 0.217 0.000 1.042 512 T HN 0.365 nan 8.240 nan 0.000 0.505 513 E N 0.130 120.407 120.200 0.129 0.000 2.070 513 E HA -0.303 4.050 4.350 0.004 0.000 0.197 513 E C 1.946 178.582 176.600 0.061 0.000 1.004 513 E CA 1.614 57.972 56.400 -0.069 0.000 0.805 513 E CB -0.058 29.342 29.700 -0.501 0.000 0.744 513 E HN 0.738 nan 8.360 nan 0.000 0.451 514 Q N 0.728 120.636 119.800 0.179 0.000 2.123 514 Q HA -0.187 4.155 4.340 0.004 0.000 0.199 514 Q C 1.768 177.855 176.000 0.144 0.000 0.966 514 Q CA 1.956 57.830 55.803 0.118 0.000 0.845 514 Q CB -0.121 28.621 28.738 0.006 0.000 0.907 514 Q HN 0.235 nan 8.270 nan 0.000 0.439 515 E N -0.018 120.298 120.200 0.193 0.000 2.028 515 E HA -0.143 4.210 4.350 0.004 0.000 0.191 515 E C 1.690 178.360 176.600 0.116 0.000 0.988 515 E CA 1.432 57.923 56.400 0.151 0.000 0.799 515 E CB -0.437 29.353 29.700 0.149 0.000 0.755 515 E HN 0.361 nan 8.360 nan 0.000 0.447 516 I N 1.299 121.937 120.570 0.113 0.000 2.091 516 I HA -0.362 3.811 4.170 0.004 0.000 0.240 516 I C 2.305 178.540 176.117 0.197 0.000 1.046 516 I CA 2.146 63.512 61.300 0.110 0.000 1.306 516 I CB -1.907 36.167 38.000 0.123 0.000 1.018 516 I HN 0.231 nan 8.210 nan 0.000 0.404 517 T N 0.946 115.628 114.554 0.212 0.000 2.721 517 T HA -0.192 4.160 4.350 0.004 0.000 0.268 517 T C 1.916 176.758 174.700 0.236 0.000 1.038 517 T CA 2.186 64.431 62.100 0.242 0.000 1.145 517 T CB -0.381 68.558 68.868 0.120 0.000 0.858 517 T HN 0.614 nan 8.240 nan 0.000 0.459 518 S N 0.527 116.327 115.700 0.166 0.000 2.496 518 S HA 0.176 4.648 4.470 0.004 0.000 0.224 518 S C 1.936 176.605 174.600 0.116 0.000 0.996 518 S CA 0.086 58.371 58.200 0.142 0.000 0.927 518 S CB -0.453 62.822 63.200 0.125 0.000 0.774 518 S HN 0.459 nan 8.310 nan 0.000 0.524 519 L N -0.323 120.943 121.223 0.071 0.000 2.313 519 L HA 0.189 4.532 4.340 0.004 0.000 0.214 519 L C 1.228 178.041 176.870 -0.096 0.000 1.119 519 L CA 0.037 54.852 54.840 -0.042 0.000 0.809 519 L CB -0.252 41.728 42.059 -0.131 0.000 0.933 519 L HN 0.376 nan 8.230 nan 0.000 0.449 526 R N 0.464 121.005 120.500 0.068 0.000 2.531 526 R HA 0.613 4.956 4.340 0.004 0.000 0.293 526 R C -0.894 175.405 176.300 -0.002 0.000 1.124 526 R CA 0.229 56.348 56.100 0.032 0.000 0.945 526 R CB 1.372 31.689 30.300 0.029 0.000 1.195 526 R HN 0.549 nan 8.270 nan 0.000 0.433 527 A N 4.629 127.440 122.820 -0.014 0.000 2.316 527 A HA 0.199 4.521 4.320 0.004 0.000 0.311 527 A C 0.710 178.250 177.584 -0.073 0.000 1.339 527 A CA -0.581 51.429 52.037 -0.045 0.000 0.960 527 A CB 0.346 19.332 19.000 -0.024 0.000 1.152 527 A HN 0.908 nan 8.150 nan 0.000 0.547 528 K N 1.771 122.062 120.400 -0.182 0.000 2.444 528 K HA -0.033 4.289 4.320 0.004 0.000 0.193 528 K C 1.233 177.763 176.600 -0.117 0.000 1.024 528 K CA 1.171 57.289 56.287 -0.282 0.000 1.077 528 K CB 0.040 31.906 32.500 -1.057 0.000 0.833 528 K HN 0.597 nan 8.250 nan 0.000 0.517 529 S N 0.851 116.485 115.700 -0.110 0.000 2.423 529 S HA -0.185 4.288 4.470 0.004 0.000 0.231 529 S C 1.948 176.478 174.600 -0.117 0.000 1.014 529 S CA 0.800 58.936 58.200 -0.106 0.000 0.965 529 S CB -0.207 62.921 63.200 -0.119 0.000 0.785 529 S HN 0.471 nan 8.310 nan 0.000 0.495 530 Q N -0.393 119.352 119.800 -0.091 0.000 2.167 530 Q HA 0.042 4.385 4.340 0.004 0.000 0.202 530 Q C 1.793 177.634 176.000 -0.264 0.000 0.970 530 Q CA 1.314 56.979 55.803 -0.231 0.000 0.855 530 Q CB -0.287 28.374 28.738 -0.128 0.000 0.911 530 Q HN 0.703 nan 8.270 nan 0.000 0.438 531 F N 1.800 121.683 119.950 -0.112 0.000 2.134 531 F HA -0.160 4.369 4.527 0.003 0.000 0.299 531 F C 1.757 177.422 175.800 -0.226 0.000 1.097 531 F CA 1.488 59.350 58.000 -0.229 0.000 1.264 531 F CB -0.000 38.931 39.000 -0.115 0.000 1.001 531 F HN 0.008 nan 8.300 nan 0.000 0.479 532 E N -0.188 119.842 120.200 -0.283 0.000 2.153 532 E HA -0.245 4.108 4.350 0.004 0.000 0.194 532 E C 2.015 178.445 176.600 -0.283 0.000 0.988 532 E CA 1.396 57.603 56.400 -0.322 0.000 0.811 532 E CB -0.203 29.409 29.700 -0.146 0.000 0.746 532 E HN 0.492 nan 8.360 nan 0.000 0.466 533 E N -0.193 119.842 120.200 -0.276 0.000 2.106 533 E HA -0.160 4.192 4.350 0.004 0.000 0.192 533 E C 1.513 178.000 176.600 -0.189 0.000 0.984 533 E CA 0.919 57.167 56.400 -0.254 0.000 0.806 533 E CB -0.009 29.479 29.700 -0.353 0.000 0.750 533 E HN 0.261 nan 8.360 nan 0.000 0.458 534 Y N 1.001 121.189 120.300 -0.187 0.000 2.314 534 Y HA -0.100 4.453 4.550 0.003 0.000 0.293 534 Y C 2.033 177.846 175.900 -0.144 0.000 1.129 534 Y CA 1.243 59.252 58.100 -0.151 0.000 1.201 534 Y CB -0.429 37.914 38.460 -0.194 0.000 0.999 534 Y HN 0.079 nan 8.280 nan 0.000 0.541 535 K N 0.506 120.787 120.400 -0.199 0.000 2.097 535 K HA -0.152 4.171 4.320 0.004 0.000 0.205 535 K C 1.717 178.326 176.600 0.016 0.000 1.050 535 K CA 1.500 57.674 56.287 -0.187 0.000 0.938 535 K CB -0.334 31.899 32.500 -0.444 0.000 0.718 535 K HN 0.148 nan 8.250 nan 0.000 0.442 536 K N 0.628 121.018 120.400 -0.015 0.000 2.209 536 K HA -0.053 4.269 4.320 0.004 0.000 0.204 536 K C 1.927 178.592 176.600 0.108 0.000 1.048 536 K CA 1.089 57.400 56.287 0.041 0.000 0.940 536 K CB -0.239 32.254 32.500 -0.011 0.000 0.729 536 K HN 0.459 nan 8.250 nan 0.000 0.451 537 G N -0.462 108.407 108.800 0.115 0.000 2.916 537 G HA2 -0.184 3.779 3.960 0.004 0.000 0.205 537 G HA3 -0.184 3.779 3.960 0.004 0.000 0.205 537 G C 0.602 175.445 174.900 -0.095 0.000 1.163 537 G CA 0.365 45.487 45.100 0.037 0.000 0.821 537 G HN 0.306 nan 8.290 nan 0.000 0.515 538 Y N -2.533 117.798 120.300 0.052 0.000 2.430 538 Y HA 0.346 4.900 4.550 0.007 0.000 0.248 538 Y C 1.504 177.482 175.900 0.129 0.000 1.108 538 Y CA -0.565 57.575 58.100 0.068 0.000 1.264 538 Y CB 0.504 38.998 38.460 0.055 0.000 1.172 538 Y HN 0.222 nan 8.280 nan 0.000 0.520 539 F N -0.157 119.836 119.950 0.072 0.000 2.720 539 F HA 0.212 4.742 4.527 0.005 0.000 0.301 539 F C 1.779 177.578 175.800 -0.003 0.000 1.103 539 F CA 0.428 58.448 58.000 0.032 0.000 1.291 539 F CB 0.481 39.496 39.000 0.025 0.000 1.086 539 F HN -0.146 nan 8.300 nan 0.000 0.592 540 E N -0.014 120.186 120.200 0.000 0.000 2.132 540 E HA 0.204 4.556 4.350 0.004 0.000 0.193 540 E C 1.281 177.812 176.600 -0.114 0.000 0.951 540 E CA 0.687 57.047 56.400 -0.067 0.000 0.843 540 E CB -0.391 29.302 29.700 -0.012 0.000 0.807 540 E HN 0.286 nan 8.360 nan 0.000 0.467 541 G N 0.000 108.734 108.800 -0.111 0.000 5.446 541 G HA2 0.000 3.963 3.960 0.004 0.000 0.244 541 G HA3 0.000 3.963 3.960 0.004 0.000 0.244 541 G CA 0.000 45.032 45.100 -0.114 0.000 0.502 541 G HN 0.000 nan 8.290 nan 0.000 0.925