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 3ean_1_E DATA FIRST_RESID 10 DATA SEQUENCE SYDFDLIIIG GGSGGLAAAK EAAKFDKKVM VLDFVTPTPL GTRWGLGGTc DATA SEQUENCE VNVGcIPKKL MHQAALLGQA LKDSRNYGWK LEDTVKHDWE KMTESVQNHI DATA SEQUENCE GSLNWGYRVA LREKKVVYEN AYGKFIGPHK IMATNNKGKE KVYSAERFLI DATA SEQUENCE ATGERPRYLG IPGDKEYCIS SDDLFSLPYC PGKTLVVGAS YVALECAGFL DATA SEQUENCE AGIGLDVTVM VRSILLRGFD QDMANKIGEH MEEHGIKFIR QFVPTKIEQI DATA SEQUENCE EAGTPGRLKV TAKSTNSEET IEDEFNTVLL AVGRDSCTRT IGLETVGVKI DATA SEQUENCE NEKTGKIPVT DEEQTNVPYI YAIGDILEGK LELTPVAIQA GRLLAQRLYG DATA SEQUENCE GSTVKCDYDN VPTTVFTPLE YGCCGLSEEK AVEKFGEENI EVYHSFFWPL DATA SEQUENCE EWTVPSRDNN KCYAKVICNL KDNERVVGFH VLGPNAGEVT QGFAAALKCG DATA SEQUENCE LTKQQLDSTI GIHPVCAEIF TTLSVTKRSG GDILQSGCXG 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.362 174.600 -0.396 0.000 1.055 10 S CA 0.000 57.978 58.200 -0.370 0.000 1.107 10 S CB 0.000 63.104 63.200 -0.160 0.000 0.593 11 Y N 1.253 121.546 120.300 -0.012 0.000 2.565 11 Y HA 0.515 5.069 4.550 0.006 0.000 0.325 11 Y C 1.373 177.265 175.900 -0.014 0.000 1.221 11 Y CA -0.900 57.212 58.100 0.020 0.000 1.316 11 Y CB 0.379 38.883 38.460 0.073 0.000 1.404 11 Y HN 0.594 nan 8.280 nan 0.000 0.527 12 D N -0.125 120.398 120.400 0.205 0.000 2.178 12 D HA -0.021 4.623 4.640 0.006 0.000 0.202 12 D C -0.599 175.463 176.300 -0.396 0.000 0.974 12 D CA 1.681 55.647 54.000 -0.058 0.000 0.841 12 D CB 0.033 40.913 40.800 0.134 0.000 0.953 12 D HN 0.212 nan 8.370 nan 0.000 0.478 13 F N -0.543 119.469 119.950 0.103 0.000 2.613 13 F HA 0.227 4.758 4.527 0.006 0.000 0.310 13 F C 1.021 176.823 175.800 0.004 0.000 1.085 13 F CA -1.037 56.971 58.000 0.013 0.000 0.945 13 F CB 1.699 40.657 39.000 -0.070 0.000 1.298 13 F HN -0.378 nan 8.300 nan 0.000 0.455 14 D N 0.628 121.143 120.400 0.191 0.000 2.149 14 D HA -0.003 4.641 4.640 0.006 0.000 0.201 14 D C -0.100 176.246 176.300 0.077 0.000 0.972 14 D CA 1.581 55.651 54.000 0.116 0.000 0.835 14 D CB 0.520 41.334 40.800 0.023 0.000 0.966 14 D HN 0.153 nan 8.370 nan 0.000 0.476 15 L N 0.645 121.888 121.223 0.034 0.000 2.470 15 L HA 0.391 4.734 4.340 0.006 0.000 0.268 15 L C -1.535 175.207 176.870 -0.213 0.000 0.964 15 L CA -0.395 54.409 54.840 -0.060 0.000 0.839 15 L CB 2.140 44.238 42.059 0.064 0.000 1.276 15 L HN -0.230 nan 8.230 nan 0.000 0.403 16 I N 5.954 126.281 120.570 -0.405 0.000 2.354 16 I HA 0.424 4.598 4.170 0.006 0.000 0.292 16 I C -0.517 175.515 176.117 -0.143 0.000 0.989 16 I CA -0.439 60.630 61.300 -0.384 0.000 1.188 16 I CB 1.629 39.360 38.000 -0.448 0.000 1.342 16 I HN 0.514 nan 8.210 nan 0.000 0.457 17 I N 7.297 127.800 120.570 -0.112 0.000 2.336 17 I HA 0.335 4.508 4.170 0.006 0.000 0.292 17 I C -0.284 175.812 176.117 -0.035 0.000 0.991 17 I CA -0.374 60.910 61.300 -0.026 0.000 1.227 17 I CB 1.277 39.257 38.000 -0.034 0.000 1.366 17 I HN 0.374 nan 8.210 nan 0.000 0.466 18 I N 6.263 126.832 120.570 -0.002 0.000 2.306 18 I HA 0.600 4.774 4.170 0.006 0.000 0.288 18 I C 0.425 176.516 176.117 -0.043 0.000 1.036 18 I CA -0.258 61.006 61.300 -0.060 0.000 1.221 18 I CB 0.952 38.889 38.000 -0.104 0.000 1.385 18 I HN 0.786 nan 8.210 nan 0.000 0.472 19 G N 3.586 112.362 108.800 -0.042 0.000 3.367 19 G HA2 0.078 4.042 3.960 0.006 0.000 0.686 19 G HA3 0.078 4.042 3.960 0.006 0.000 0.686 19 G C -0.118 174.770 174.900 -0.021 0.000 1.146 19 G CA -0.543 44.548 45.100 -0.015 0.000 0.913 19 G HN 0.956 nan 8.290 nan 0.000 0.554 20 G N 0.821 109.606 108.800 -0.026 0.000 4.486 20 G HA2 0.689 4.653 3.960 0.006 0.000 0.306 20 G HA3 0.689 4.653 3.960 0.006 0.000 0.306 20 G C 0.853 175.669 174.900 -0.140 0.000 1.331 20 G CA 0.897 45.942 45.100 -0.091 0.000 1.113 20 G HN 1.255 nan 8.290 nan 0.000 0.594 21 G N 0.210 108.957 108.800 -0.088 0.000 2.582 21 G HA2 0.345 4.309 3.960 0.006 0.000 0.232 21 G HA3 0.345 4.309 3.960 0.006 0.000 0.232 21 G C 1.281 176.095 174.900 -0.143 0.000 1.458 21 G CA 0.452 45.490 45.100 -0.102 0.000 1.062 21 G HN 0.193 nan 8.290 nan 0.000 0.566 22 S N -0.238 115.406 115.700 -0.094 0.000 2.377 22 S HA -0.164 4.310 4.470 0.006 0.000 0.224 22 S C 2.487 177.061 174.600 -0.043 0.000 1.042 22 S CA 2.042 60.201 58.200 -0.068 0.000 1.086 22 S CB -0.915 62.273 63.200 -0.019 0.000 0.995 22 S HN 0.778 nan 8.310 nan 0.000 0.428 23 G N 0.718 109.510 108.800 -0.013 0.000 2.404 23 G HA2 -0.019 3.944 3.960 0.006 0.000 0.215 23 G HA3 -0.019 3.944 3.960 0.006 0.000 0.215 23 G C 1.488 176.385 174.900 -0.005 0.000 1.174 23 G CA 1.002 46.105 45.100 0.005 0.000 0.780 23 G HN 0.589 nan 8.290 nan 0.000 0.537 24 G N 1.132 109.922 108.800 -0.016 0.000 2.529 24 G HA2 -0.246 3.717 3.960 0.006 0.000 0.219 24 G HA3 -0.246 3.717 3.960 0.006 0.000 0.219 24 G C 1.816 176.690 174.900 -0.044 0.000 1.177 24 G CA 0.988 46.073 45.100 -0.024 0.000 0.773 24 G HN 0.417 nan 8.290 nan 0.000 0.573 25 L N 0.608 121.777 121.223 -0.089 0.000 2.141 25 L HA -0.022 4.321 4.340 0.006 0.000 0.209 25 L C 3.410 180.262 176.870 -0.029 0.000 1.094 25 L CA 0.848 55.630 54.840 -0.097 0.000 0.763 25 L CB -0.439 41.484 42.059 -0.227 0.000 0.908 25 L HN 0.333 nan 8.230 nan 0.000 0.437 26 A N 0.294 123.105 122.820 -0.016 0.000 1.877 26 A HA -0.155 4.169 4.320 0.006 0.000 0.216 26 A C 2.568 180.166 177.584 0.025 0.000 1.186 26 A CA 1.700 53.745 52.037 0.013 0.000 0.620 26 A CB -0.696 18.311 19.000 0.012 0.000 0.822 26 A HN 0.376 nan 8.150 nan 0.000 0.443 27 A N -0.199 122.634 122.820 0.023 0.000 1.933 27 A HA 0.147 4.471 4.320 0.006 0.000 0.218 27 A C 2.484 180.100 177.584 0.054 0.000 1.175 27 A CA 2.147 54.209 52.037 0.042 0.000 0.628 27 A CB -0.951 18.070 19.000 0.035 0.000 0.814 27 A HN 1.039 nan 8.150 nan 0.000 0.444 28 A N -0.130 122.705 122.820 0.025 0.000 1.898 28 A HA -0.141 4.183 4.320 0.006 0.000 0.216 28 A C 2.169 179.769 177.584 0.025 0.000 1.181 28 A CA 1.863 53.910 52.037 0.017 0.000 0.620 28 A CB -0.421 18.571 19.000 -0.014 0.000 0.819 28 A HN 0.502 nan 8.150 nan 0.000 0.442 29 K N -0.386 120.028 120.400 0.024 0.000 2.097 29 K HA -0.189 4.135 4.320 0.006 0.000 0.205 29 K C 1.827 178.438 176.600 0.017 0.000 1.050 29 K CA 1.855 58.153 56.287 0.018 0.000 0.938 29 K CB -0.081 32.435 32.500 0.026 0.000 0.718 29 K HN 0.372 nan 8.250 nan 0.000 0.442 30 E N 0.441 120.672 120.200 0.051 0.000 2.076 30 E HA 0.029 4.382 4.350 0.006 0.000 0.190 30 E C 1.707 178.411 176.600 0.173 0.000 0.979 30 E CA 1.216 57.667 56.400 0.085 0.000 0.807 30 E CB -0.135 29.639 29.700 0.124 0.000 0.761 30 E HN 0.368 nan 8.360 nan 0.000 0.454 31 A N 0.820 123.766 122.820 0.210 0.000 1.940 31 A HA -0.109 4.215 4.320 0.006 0.000 0.219 31 A C 2.374 180.033 177.584 0.126 0.000 1.176 31 A CA 1.932 54.134 52.037 0.275 0.000 0.631 31 A CB -0.925 18.190 19.000 0.192 0.000 0.814 31 A HN 0.338 nan 8.150 nan 0.000 0.446 32 A N -0.347 122.494 122.820 0.035 0.000 2.070 32 A HA -0.134 4.190 4.320 0.006 0.000 0.220 32 A C 1.991 179.526 177.584 -0.081 0.000 1.159 32 A CA 1.622 53.648 52.037 -0.018 0.000 0.656 32 A CB -0.414 18.576 19.000 -0.017 0.000 0.800 32 A HN 0.558 nan 8.150 nan 0.000 0.453 33 K N -1.374 118.918 120.400 -0.180 0.000 2.280 33 K HA -0.099 4.224 4.320 0.006 0.000 0.202 33 K C 0.190 176.471 176.600 -0.531 0.000 1.047 33 K CA 1.155 57.191 56.287 -0.419 0.000 0.942 33 K CB -0.229 31.868 32.500 -0.672 0.000 0.739 33 K HN 0.624 nan 8.250 nan 0.000 0.457 34 F N 0.560 120.494 119.950 -0.028 0.000 2.639 34 F HA 0.080 4.611 4.527 0.006 0.000 0.300 34 F C -0.097 175.660 175.800 -0.072 0.000 1.109 34 F CA -0.652 57.327 58.000 -0.035 0.000 1.335 34 F CB 0.021 39.016 39.000 -0.008 0.000 1.014 34 F HN -0.018 nan 8.300 nan 0.000 0.537 35 D N 1.933 122.348 120.400 0.024 0.000 2.803 35 D HA -0.203 4.441 4.640 0.006 0.000 0.233 35 D C -0.513 175.774 176.300 -0.021 0.000 1.182 35 D CA 0.586 54.586 54.000 0.001 0.000 0.726 35 D CB -0.269 40.536 40.800 0.008 0.000 0.987 35 D HN 0.020 nan 8.370 nan 0.000 0.412 36 K N 1.415 121.777 120.400 -0.063 0.000 2.328 36 K HA 0.422 4.745 4.320 0.006 0.000 0.246 36 K C 0.194 176.773 176.600 -0.035 0.000 0.955 36 K CA -0.869 55.348 56.287 -0.116 0.000 0.817 36 K CB 1.314 33.604 32.500 -0.351 0.000 1.208 36 K HN 0.108 nan 8.250 nan 0.000 0.432 37 K N 1.534 121.945 120.400 0.018 0.000 2.316 37 K HA 0.281 4.604 4.320 0.006 0.000 0.289 37 K C -0.439 176.331 176.600 0.283 0.000 1.070 37 K CA -0.321 56.055 56.287 0.148 0.000 0.928 37 K CB 0.699 33.240 32.500 0.067 0.000 1.039 37 K HN 0.187 nan 8.250 nan 0.000 0.480 38 V N 4.472 124.512 119.914 0.210 0.000 2.680 38 V HA 0.457 4.581 4.120 0.006 0.000 0.309 38 V C -0.453 175.522 176.094 -0.199 0.000 1.052 38 V CA -0.973 61.336 62.300 0.014 0.000 0.908 38 V CB 1.841 33.650 31.823 -0.023 0.000 1.001 38 V HN 0.780 nan 8.190 nan 0.000 0.431 39 M N 4.280 123.549 119.600 -0.551 0.000 2.326 39 M HA 0.707 5.191 4.480 0.006 0.000 0.306 39 M C -1.845 174.233 176.300 -0.370 0.000 1.054 39 M CA -0.510 54.387 55.300 -0.672 0.000 0.922 39 M CB 1.992 33.750 32.600 -1.403 0.000 1.632 39 M HN 0.450 nan 8.290 nan 0.000 0.436 40 V N 6.155 125.952 119.914 -0.195 0.000 2.398 40 V HA 0.428 4.552 4.120 0.006 0.000 0.286 40 V C -0.375 175.696 176.094 -0.038 0.000 1.026 40 V CA -0.643 61.609 62.300 -0.079 0.000 0.868 40 V CB 1.497 33.325 31.823 0.008 0.000 0.982 40 V HN 0.787 nan 8.190 nan 0.000 0.443 41 L N 4.529 125.707 121.223 -0.075 0.000 2.275 41 L HA 0.611 4.955 4.340 0.006 0.000 0.288 41 L C -0.600 176.295 176.870 0.042 0.000 1.046 41 L CA -0.126 54.682 54.840 -0.052 0.000 0.805 41 L CB 1.364 43.355 42.059 -0.114 0.000 1.193 41 L HN 0.653 nan 8.230 nan 0.000 0.426 42 D N 2.662 123.154 120.400 0.154 0.000 2.936 42 D HA 0.520 5.163 4.640 0.006 0.000 0.238 42 D C -1.644 174.788 176.300 0.220 0.000 1.248 42 D CA -0.219 53.884 54.000 0.172 0.000 0.903 42 D CB 1.695 42.606 40.800 0.184 0.000 1.544 42 D HN 0.235 nan 8.370 nan 0.000 0.543 43 F N 3.716 123.684 119.950 0.030 0.000 2.569 43 F HA 0.541 5.071 4.527 0.006 0.000 0.312 43 F C -1.473 174.339 175.800 0.021 0.000 1.109 43 F CA -0.713 57.314 58.000 0.046 0.000 0.919 43 F CB 1.754 40.830 39.000 0.127 0.000 1.211 43 F HN 0.146 nan 8.300 nan 0.000 0.446 44 V N 4.525 124.129 119.914 -0.517 0.000 2.318 44 V HA 0.255 4.379 4.120 0.006 0.000 0.271 44 V C -0.017 175.851 176.094 -0.377 0.000 1.030 44 V CA -0.574 61.462 62.300 -0.440 0.000 0.844 44 V CB 1.064 32.394 31.823 -0.822 0.000 1.015 44 V HN 0.833 nan 8.190 nan 0.000 0.460 45 T N 4.952 119.526 114.554 0.034 0.000 2.919 45 T HA 0.380 4.734 4.350 0.006 0.000 0.302 45 T C -2.014 172.620 174.700 -0.111 0.000 1.031 45 T CA -1.273 60.886 62.100 0.099 0.000 1.127 45 T CB 1.168 70.125 68.868 0.148 0.000 0.952 45 T HN 0.480 nan 8.240 nan 0.000 0.540 46 P HA 0.189 nan 4.420 nan 0.000 0.274 46 P C 0.515 177.795 177.300 -0.032 0.000 1.237 46 P CA -0.418 62.606 63.100 -0.127 0.000 0.793 46 P CB 0.309 31.970 31.700 -0.064 0.000 0.977 47 T N -1.444 113.127 114.554 0.027 0.000 2.802 47 T HA 0.114 4.467 4.350 0.006 0.000 0.305 47 T C -1.605 173.134 174.700 0.064 0.000 1.053 47 T CA -1.083 61.087 62.100 0.117 0.000 1.058 47 T CB -0.941 68.047 68.868 0.200 0.000 0.988 47 T HN 0.223 nan 8.240 nan 0.000 0.539 48 P HA -0.027 nan 4.420 nan 0.000 0.218 48 P C 1.143 178.444 177.300 0.001 0.000 1.146 48 P CA 1.022 64.105 63.100 -0.028 0.000 0.820 48 P CB -0.095 31.525 31.700 -0.133 0.000 0.778 49 L N -3.146 118.109 121.223 0.054 0.000 2.592 49 L HA 0.292 4.636 4.340 0.006 0.000 0.227 49 L C 1.343 178.250 176.870 0.062 0.000 1.127 49 L CA 0.572 55.449 54.840 0.062 0.000 0.884 49 L CB -0.579 41.538 42.059 0.098 0.000 1.065 49 L HN 0.117 nan 8.230 nan 0.000 0.457 50 G N 0.041 108.871 108.800 0.050 0.000 2.134 50 G HA2 -0.223 3.741 3.960 0.006 0.000 0.209 50 G HA3 -0.223 3.741 3.960 0.006 0.000 0.209 50 G C 0.218 175.142 174.900 0.040 0.000 0.993 50 G CA 0.015 45.135 45.100 0.034 0.000 0.669 50 G HN 0.234 nan 8.290 nan 0.000 0.519 51 T N 1.030 115.630 114.554 0.076 0.000 2.884 51 T HA 0.639 4.993 4.350 0.006 0.000 0.298 51 T C 0.596 175.290 174.700 -0.010 0.000 0.998 51 T CA 0.170 62.343 62.100 0.121 0.000 1.124 51 T CB 1.437 70.460 68.868 0.258 0.000 0.931 51 T HN 0.530 nan 8.240 nan 0.000 0.531 52 R N 1.011 121.492 120.500 -0.031 0.000 2.855 52 R HA 0.745 5.088 4.340 0.006 0.000 0.266 52 R C -1.459 174.815 176.300 -0.043 0.000 1.034 52 R CA -1.061 54.841 56.100 -0.329 0.000 0.944 52 R CB 1.966 32.101 30.300 -0.275 0.000 1.219 52 R HN 0.803 nan 8.270 nan 0.000 0.474 53 W N -1.206 120.074 121.300 -0.033 0.000 3.005 53 W HA 0.704 5.368 4.660 0.007 0.000 0.343 53 W C -0.512 175.971 176.519 -0.061 0.000 1.243 53 W CA -1.284 56.046 57.345 -0.024 0.000 1.186 53 W CB -0.030 29.431 29.460 0.002 0.000 1.453 53 W HN 0.681 nan 8.180 nan 0.000 0.575 54 G N 0.631 109.557 108.800 0.211 0.000 2.535 54 G HA2 0.414 4.378 3.960 0.006 0.000 0.282 54 G HA3 0.414 4.378 3.960 0.006 0.000 0.282 54 G C -0.906 174.028 174.900 0.057 0.000 1.350 54 G CA -0.979 44.150 45.100 0.047 0.000 1.039 54 G HN 0.799 nan 8.290 nan 0.000 0.509 55 L N -0.031 121.148 121.223 -0.073 0.000 2.514 55 L HA 0.405 4.748 4.340 0.006 0.000 0.280 55 L C 1.431 178.225 176.870 -0.126 0.000 1.223 55 L CA 2.216 56.965 54.840 -0.152 0.000 0.864 55 L CB 0.886 42.730 42.059 -0.359 0.000 1.118 55 L HN 1.238 nan 8.230 nan 0.000 0.494 56 G N 1.335 110.003 108.800 -0.220 0.000 2.367 56 G HA2 0.273 4.237 3.960 0.006 0.000 0.181 56 G HA3 0.273 4.237 3.960 0.006 0.000 0.181 56 G C 0.796 175.579 174.900 -0.196 0.000 1.000 56 G CA 0.091 44.980 45.100 -0.352 0.000 0.693 56 G HN 1.819 nan 8.290 nan 0.000 0.480 57 G N -0.892 107.888 108.800 -0.034 0.000 2.593 57 G HA2 0.016 3.979 3.960 0.006 0.000 0.237 57 G HA3 0.016 3.979 3.960 0.006 0.000 0.237 57 G C 0.845 175.756 174.900 0.018 0.000 1.312 57 G CA 0.810 45.935 45.100 0.041 0.000 0.896 57 G HN 1.131 nan 8.290 nan 0.000 0.574 58 T N -0.492 114.072 114.554 0.016 0.000 2.770 58 T HA -0.118 4.235 4.350 0.006 0.000 0.263 58 T C 2.455 177.088 174.700 -0.112 0.000 1.039 58 T CA 2.421 64.493 62.100 -0.046 0.000 1.142 58 T CB -0.571 68.318 68.868 0.035 0.000 0.868 58 T HN 1.000 nan 8.240 nan 0.000 0.435 59 c N 1.185 119.747 118.600 -0.064 0.000 2.413 59 c HA -0.051 4.522 4.570 0.006 0.000 0.276 59 c C 2.750 176.769 174.090 -0.118 0.000 1.236 59 c CA 0.673 56.961 56.329 -0.069 0.000 1.735 59 c CB -1.184 41.309 42.510 -0.029 0.000 2.031 59 c HN 0.357 nan 8.230 nan 0.000 0.474 60 V N 1.492 121.343 119.914 -0.105 0.000 2.379 60 V HA -0.119 4.005 4.120 0.006 0.000 0.245 60 V C 2.228 178.223 176.094 -0.164 0.000 1.044 60 V CA 2.279 64.528 62.300 -0.085 0.000 1.036 60 V CB -0.601 31.215 31.823 -0.011 0.000 0.664 60 V HN 0.592 nan 8.190 nan 0.000 0.453 61 N N -0.061 118.483 118.700 -0.259 0.000 2.432 61 N HA 0.027 4.771 4.740 0.006 0.000 0.174 61 N C 1.002 176.210 175.510 -0.504 0.000 1.037 61 N CA 1.525 54.340 53.050 -0.393 0.000 0.892 61 N CB 1.339 39.436 38.487 -0.650 0.000 1.049 61 N HN 0.532 nan 8.380 nan 0.000 0.442 62 V N -3.776 115.832 119.914 -0.510 0.000 3.293 62 V HA 0.614 4.738 4.120 0.006 0.000 0.381 62 V C 0.400 176.373 176.094 -0.202 0.000 1.465 62 V CA -0.233 61.856 62.300 -0.351 0.000 1.331 62 V CB 0.517 31.991 31.823 -0.583 0.000 1.160 62 V HN 0.113 nan 8.190 nan 0.000 0.565 63 G N 0.093 108.704 108.800 -0.315 0.000 3.418 63 G HA2 0.233 4.197 3.960 0.006 0.000 0.179 63 G HA3 0.233 4.197 3.960 0.006 0.000 0.179 63 G C 0.989 175.734 174.900 -0.259 0.000 1.212 63 G CA 0.674 45.665 45.100 -0.181 0.000 0.935 63 G HN 0.302 nan 8.290 nan 0.000 0.716 64 c N 1.090 119.617 118.600 -0.120 0.000 2.376 64 c HA -0.072 4.502 4.570 0.006 0.000 0.275 64 c C 2.728 176.680 174.090 -0.231 0.000 1.200 64 c CA 0.626 56.885 56.329 -0.117 0.000 1.756 64 c CB -1.396 41.084 42.510 -0.050 0.000 2.050 64 c HN 0.400 nan 8.230 nan 0.000 0.460 65 I N 2.413 122.848 120.570 -0.225 0.000 2.133 65 I HA -0.083 4.091 4.170 0.006 0.000 0.238 65 I C 0.136 176.064 176.117 -0.316 0.000 1.074 65 I CA 1.782 62.957 61.300 -0.208 0.000 1.342 65 I CB -2.755 35.180 38.000 -0.107 0.000 1.053 65 I HN 0.233 nan 8.210 nan 0.000 0.404 66 P HA -0.167 nan 4.420 nan 0.000 0.217 66 P C 1.669 178.536 177.300 -0.722 0.000 1.151 66 P CA 1.400 64.133 63.100 -0.610 0.000 0.828 66 P CB -0.100 31.095 31.700 -0.842 0.000 0.788 67 K N 1.078 120.966 120.400 -0.852 0.000 2.001 67 K HA -0.211 4.113 4.320 0.006 0.000 0.214 67 K C 2.157 178.572 176.600 -0.310 0.000 1.050 67 K CA 1.995 58.042 56.287 -0.401 0.000 0.934 67 K CB -0.572 31.850 32.500 -0.131 0.000 0.718 67 K HN -0.110 nan 8.250 nan 0.000 0.443 68 K N 0.986 121.184 120.400 -0.338 0.000 2.097 68 K HA -0.057 4.266 4.320 0.006 0.000 0.206 68 K C 2.235 178.688 176.600 -0.245 0.000 1.049 68 K CA 1.137 57.218 56.287 -0.343 0.000 0.933 68 K CB -0.281 31.954 32.500 -0.443 0.000 0.717 68 K HN 0.190 nan 8.250 nan 0.000 0.442 69 L N -0.221 120.835 121.223 -0.278 0.000 2.083 69 L HA -0.142 4.202 4.340 0.006 0.000 0.209 69 L C 2.476 179.184 176.870 -0.270 0.000 1.083 69 L CA 1.324 56.016 54.840 -0.247 0.000 0.752 69 L CB -0.321 41.597 42.059 -0.234 0.000 0.899 69 L HN 0.264 nan 8.230 nan 0.000 0.433 70 M N -1.448 117.914 119.600 -0.398 0.000 2.175 70 M HA -0.203 4.280 4.480 0.006 0.000 0.264 70 M C 2.331 178.394 176.300 -0.395 0.000 1.063 70 M CA 1.353 56.313 55.300 -0.566 0.000 1.119 70 M CB -0.556 31.364 32.600 -1.134 0.000 1.377 70 M HN 0.253 nan 8.290 nan 0.000 0.415 71 H N 0.476 119.335 119.070 -0.352 0.000 2.352 71 H HA -0.207 4.352 4.556 0.007 0.000 0.299 71 H C 2.011 177.316 175.328 -0.038 0.000 1.097 71 H CA 2.139 58.154 56.048 -0.054 0.000 1.311 71 H CB -0.110 29.652 29.762 -0.001 0.000 1.377 71 H HN 0.241 nan 8.280 nan 0.000 0.504 72 Q N 0.410 120.092 119.800 -0.198 0.000 2.135 72 Q HA -0.067 4.277 4.340 0.006 0.000 0.204 72 Q C 2.369 178.271 176.000 -0.163 0.000 0.981 72 Q CA 1.813 57.492 55.803 -0.208 0.000 0.856 72 Q CB -0.753 27.891 28.738 -0.157 0.000 0.902 72 Q HN 0.572 nan 8.270 nan 0.000 0.425 73 A N 0.144 122.879 122.820 -0.142 0.000 1.902 73 A HA -0.072 4.251 4.320 0.006 0.000 0.217 73 A C 2.282 179.814 177.584 -0.087 0.000 1.181 73 A CA 2.006 53.988 52.037 -0.091 0.000 0.623 73 A CB -1.184 17.767 19.000 -0.080 0.000 0.818 73 A HN 0.515 nan 8.150 nan 0.000 0.443 74 A N -0.253 122.525 122.820 -0.070 0.000 1.873 74 A HA -0.019 4.305 4.320 0.006 0.000 0.215 74 A C 2.171 179.714 177.584 -0.067 0.000 1.186 74 A CA 1.428 53.450 52.037 -0.026 0.000 0.616 74 A CB -0.678 18.380 19.000 0.097 0.000 0.823 74 A HN 0.465 nan 8.150 nan 0.000 0.442 75 L N -0.524 120.606 121.223 -0.155 0.000 2.043 75 L HA -0.245 4.099 4.340 0.006 0.000 0.212 75 L C 2.576 179.403 176.870 -0.072 0.000 1.075 75 L CA 1.374 56.138 54.840 -0.128 0.000 0.752 75 L CB -0.637 41.308 42.059 -0.190 0.000 0.891 75 L HN 0.392 nan 8.230 nan 0.000 0.432 76 L N -0.626 120.550 121.223 -0.077 0.000 2.131 76 L HA -0.151 4.193 4.340 0.006 0.000 0.210 76 L C 2.690 179.540 176.870 -0.033 0.000 1.092 76 L CA 1.219 56.026 54.840 -0.055 0.000 0.759 76 L CB -1.191 40.835 42.059 -0.056 0.000 0.903 76 L HN 0.342 nan 8.230 nan 0.000 0.435 77 G N -0.551 108.234 108.800 -0.025 0.000 2.476 77 G HA2 -0.368 3.595 3.960 0.006 0.000 0.218 77 G HA3 -0.368 3.595 3.960 0.006 0.000 0.218 77 G C 1.524 176.421 174.900 -0.005 0.000 1.164 77 G CA 0.925 46.021 45.100 -0.006 0.000 0.768 77 G HN 0.292 nan 8.290 nan 0.000 0.560 78 Q N 0.765 120.554 119.800 -0.017 0.000 2.079 78 Q HA 0.162 4.506 4.340 0.006 0.000 0.200 78 Q C 2.694 178.691 176.000 -0.005 0.000 0.974 78 Q CA 1.863 57.653 55.803 -0.022 0.000 0.840 78 Q CB -0.748 27.962 28.738 -0.047 0.000 0.898 78 Q HN 0.365 nan 8.270 nan 0.000 0.430 79 A N 0.366 123.181 122.820 -0.008 0.000 1.940 79 A HA -0.172 4.151 4.320 0.006 0.000 0.219 79 A C 2.112 179.696 177.584 -0.000 0.000 1.176 79 A CA 1.550 53.584 52.037 -0.004 0.000 0.631 79 A CB -0.840 18.139 19.000 -0.036 0.000 0.814 79 A HN 0.468 nan 8.150 nan 0.000 0.446 80 L N -1.083 120.136 121.223 -0.008 0.000 2.017 80 L HA -0.233 4.111 4.340 0.006 0.000 0.208 80 L C 2.628 179.523 176.870 0.043 0.000 1.073 80 L CA 1.969 56.810 54.840 0.002 0.000 0.745 80 L CB -0.561 41.500 42.059 0.004 0.000 0.894 80 L HN 0.374 nan 8.230 nan 0.000 0.432 81 K N 0.051 120.477 120.400 0.043 0.000 2.009 81 K HA -0.188 4.136 4.320 0.006 0.000 0.210 81 K C 1.771 178.429 176.600 0.095 0.000 1.049 81 K CA 1.786 58.107 56.287 0.058 0.000 0.929 81 K CB -0.205 32.317 32.500 0.037 0.000 0.714 81 K HN 0.196 nan 8.250 nan 0.000 0.440 82 D N 0.233 120.698 120.400 0.109 0.000 2.149 82 D HA -0.159 4.485 4.640 0.006 0.000 0.198 82 D C 1.974 178.466 176.300 0.320 0.000 0.990 82 D CA 1.655 55.775 54.000 0.201 0.000 0.839 82 D CB -0.391 40.541 40.800 0.221 0.000 0.948 82 D HN 0.232 nan 8.370 nan 0.000 0.460 83 S N 0.270 116.126 115.700 0.261 0.000 2.440 83 S HA -0.224 4.250 4.470 0.006 0.000 0.238 83 S C 1.926 176.787 174.600 0.435 0.000 1.010 83 S CA 1.047 59.481 58.200 0.389 0.000 0.972 83 S CB -0.228 63.085 63.200 0.188 0.000 0.774 83 S HN 0.209 nan 8.310 nan 0.000 0.501 84 R N 1.729 122.388 120.500 0.266 0.000 2.073 84 R HA -0.040 4.303 4.340 0.006 0.000 0.234 84 R C 1.855 178.242 176.300 0.146 0.000 1.134 84 R CA 1.770 57.985 56.100 0.192 0.000 0.952 84 R CB -0.423 29.951 30.300 0.122 0.000 0.850 84 R HN 0.378 nan 8.270 nan 0.000 0.433 85 N N -0.457 118.312 118.700 0.114 0.000 2.381 85 N HA -0.130 4.614 4.740 0.006 0.000 0.182 85 N C 0.469 175.933 175.510 -0.077 0.000 1.025 85 N CA 0.965 54.005 53.050 -0.015 0.000 0.888 85 N CB 0.013 38.443 38.487 -0.096 0.000 0.965 85 N HN 0.366 nan 8.380 nan 0.000 0.438 86 Y N -0.636 119.714 120.300 0.084 0.000 2.470 86 Y HA 0.270 4.827 4.550 0.010 0.000 0.284 86 Y C 1.604 177.451 175.900 -0.089 0.000 1.188 86 Y CA 0.167 58.296 58.100 0.047 0.000 1.269 86 Y CB 0.252 38.801 38.460 0.148 0.000 1.094 86 Y HN 0.082 nan 8.280 nan 0.000 0.518 87 G N -1.557 107.259 108.800 0.027 0.000 2.179 87 G HA2 -0.258 3.705 3.960 0.006 0.000 0.220 87 G HA3 -0.258 3.705 3.960 0.006 0.000 0.220 87 G C -0.329 174.435 174.900 -0.228 0.000 0.990 87 G CA -0.660 44.352 45.100 -0.146 0.000 0.646 87 G HN 0.304 nan 8.290 nan 0.000 0.517 88 W N 1.883 123.231 121.300 0.079 0.000 2.388 88 W HA 0.589 5.251 4.660 0.002 0.000 0.308 88 W C 0.924 177.469 176.519 0.044 0.000 1.263 88 W CA -0.710 56.668 57.345 0.055 0.000 1.286 88 W CB 0.688 30.181 29.460 0.055 0.000 1.294 88 W HN -0.021 nan 8.180 nan 0.000 0.493 89 K N 3.921 124.457 120.400 0.225 0.000 2.408 89 K HA 0.028 4.351 4.320 0.006 0.000 0.231 89 K C 0.114 176.805 176.600 0.152 0.000 1.261 89 K CA -0.333 56.041 56.287 0.146 0.000 1.193 89 K CB -0.284 32.272 32.500 0.093 0.000 1.431 89 K HN 0.215 nan 8.250 nan 0.000 0.243 90 L N 1.702 123.019 121.223 0.157 0.000 2.468 90 L HA 0.141 4.485 4.340 0.006 0.000 0.254 90 L C 0.513 177.432 176.870 0.081 0.000 1.171 90 L CA -0.178 54.729 54.840 0.112 0.000 0.809 90 L CB 0.868 42.991 42.059 0.106 0.000 1.155 90 L HN 0.475 nan 8.230 nan 0.000 0.473 91 E N -0.580 119.657 120.200 0.062 0.000 2.239 91 E HA 0.187 4.541 4.350 0.006 0.000 0.261 91 E C 0.292 176.920 176.600 0.046 0.000 1.016 91 E CA -0.382 56.048 56.400 0.049 0.000 0.882 91 E CB 0.441 30.165 29.700 0.041 0.000 1.190 91 E HN 0.547 nan 8.360 nan 0.000 0.415 92 D N 0.068 120.491 120.400 0.040 0.000 2.172 92 D HA -0.084 4.560 4.640 0.006 0.000 0.196 92 D C -0.283 176.040 176.300 0.037 0.000 0.999 92 D CA 1.554 55.576 54.000 0.037 0.000 0.856 92 D CB 0.093 40.912 40.800 0.030 0.000 0.934 92 D HN 0.566 nan 8.370 nan 0.000 0.453 93 T N -0.218 114.358 114.554 0.037 0.000 3.011 93 T HA 0.434 4.787 4.350 0.006 0.000 0.303 93 T C -0.477 174.248 174.700 0.041 0.000 0.997 93 T CA -0.768 61.355 62.100 0.039 0.000 1.007 93 T CB 2.733 71.623 68.868 0.036 0.000 1.017 93 T HN -0.297 nan 8.240 nan 0.000 0.443 94 V N 3.539 123.481 119.914 0.046 0.000 2.370 94 V HA 0.424 4.548 4.120 0.006 0.000 0.283 94 V C 0.271 176.406 176.094 0.069 0.000 1.023 94 V CA -0.953 61.377 62.300 0.050 0.000 0.857 94 V CB 1.313 33.164 31.823 0.046 0.000 0.985 94 V HN 0.716 nan 8.190 nan 0.000 0.443 95 K N 3.049 123.490 120.400 0.068 0.000 2.154 95 K HA 0.359 4.683 4.320 0.006 0.000 0.264 95 K C -0.122 176.556 176.600 0.130 0.000 1.008 95 K CA -0.486 55.858 56.287 0.095 0.000 0.937 95 K CB 0.630 33.173 32.500 0.072 0.000 1.002 95 K HN 0.755 nan 8.250 nan 0.000 0.469 96 H N 1.108 120.218 119.070 0.066 0.000 2.499 96 H HA 0.167 4.726 4.556 0.005 0.000 0.340 96 H C -1.321 174.069 175.328 0.104 0.000 1.148 96 H CA -0.531 55.564 56.048 0.078 0.000 1.215 96 H CB 1.776 31.599 29.762 0.102 0.000 1.529 96 H HN 0.535 nan 8.280 nan 0.000 0.510 97 D N 4.712 124.744 120.400 -0.613 0.000 2.461 97 D HA -0.023 4.621 4.640 0.006 0.000 0.240 97 D C 0.929 177.064 176.300 -0.275 0.000 1.094 97 D CA -0.559 53.275 54.000 -0.275 0.000 0.868 97 D CB 0.142 40.832 40.800 -0.183 0.000 1.062 97 D HN 0.632 nan 8.370 nan 0.000 0.530 98 W N 4.452 125.706 121.300 -0.077 0.000 2.338 98 W HA -0.163 4.500 4.660 0.005 0.000 0.304 98 W C 0.865 177.398 176.519 0.023 0.000 1.212 98 W CA 1.277 58.665 57.345 0.072 0.000 1.264 98 W CB 0.327 29.866 29.460 0.133 0.000 1.142 98 W HN 0.527 nan 8.180 nan 0.000 0.512 99 E N 0.263 120.564 120.200 0.168 0.000 2.106 99 E HA -0.244 4.109 4.350 0.006 0.000 0.192 99 E C 1.947 178.515 176.600 -0.054 0.000 0.984 99 E CA 1.361 57.816 56.400 0.092 0.000 0.806 99 E CB -0.338 29.454 29.700 0.153 0.000 0.750 99 E HN 0.034 nan 8.360 nan 0.000 0.458 100 K N 1.601 121.951 120.400 -0.083 0.000 2.057 100 K HA -0.115 4.208 4.320 0.006 0.000 0.206 100 K C 2.044 178.553 176.600 -0.151 0.000 1.050 100 K CA 1.196 57.419 56.287 -0.106 0.000 0.935 100 K CB -0.217 32.216 32.500 -0.112 0.000 0.715 100 K HN 0.064 nan 8.250 nan 0.000 0.439 101 M N 0.588 120.053 119.600 -0.224 0.000 2.067 101 M HA -0.173 4.310 4.480 0.006 0.000 0.260 101 M C 1.845 177.982 176.300 -0.272 0.000 1.069 101 M CA 2.496 57.661 55.300 -0.225 0.000 1.117 101 M CB -0.507 31.982 32.600 -0.185 0.000 1.334 101 M HN 0.432 nan 8.290 nan 0.000 0.407 102 T N -2.281 112.029 114.554 -0.407 0.000 2.951 102 T HA -0.154 4.200 4.350 0.006 0.000 0.268 102 T C 1.588 176.205 174.700 -0.138 0.000 1.073 102 T CA 1.491 63.400 62.100 -0.320 0.000 1.134 102 T CB -0.515 68.114 68.868 -0.398 0.000 0.884 102 T HN 0.617 nan 8.240 nan 0.000 0.479 103 E N 1.059 121.196 120.200 -0.105 0.000 2.077 103 E HA -0.137 4.216 4.350 0.006 0.000 0.193 103 E C 2.251 178.825 176.600 -0.043 0.000 0.989 103 E CA 1.395 57.767 56.400 -0.047 0.000 0.800 103 E CB -0.229 29.451 29.700 -0.033 0.000 0.746 103 E HN 0.596 nan 8.360 nan 0.000 0.452 104 S N -0.011 115.649 115.700 -0.067 0.000 2.383 104 S HA -0.112 4.361 4.470 0.006 0.000 0.227 104 S C 2.042 176.621 174.600 -0.036 0.000 1.026 104 S CA 1.001 59.170 58.200 -0.051 0.000 0.981 104 S CB -0.065 63.092 63.200 -0.072 0.000 0.818 104 S HN 0.139 nan 8.310 nan 0.000 0.472 105 V N 2.060 121.934 119.914 -0.067 0.000 2.295 105 V HA -0.160 3.964 4.120 0.006 0.000 0.246 105 V C 2.650 178.742 176.094 -0.003 0.000 1.049 105 V CA 1.470 63.738 62.300 -0.053 0.000 1.024 105 V CB -0.631 31.128 31.823 -0.106 0.000 0.648 105 V HN 0.391 nan 8.190 nan 0.000 0.447 106 Q N -0.088 119.708 119.800 -0.007 0.000 2.124 106 Q HA -0.174 4.169 4.340 0.006 0.000 0.202 106 Q C 2.193 178.213 176.000 0.034 0.000 0.977 106 Q CA 1.264 57.080 55.803 0.021 0.000 0.850 106 Q CB -0.753 28.005 28.738 0.033 0.000 0.901 106 Q HN 0.652 nan 8.270 nan 0.000 0.429 107 N N 0.017 118.736 118.700 0.032 0.000 2.104 107 N HA -0.202 4.542 4.740 0.006 0.000 0.190 107 N C 1.765 177.308 175.510 0.056 0.000 1.024 107 N CA 1.346 54.420 53.050 0.040 0.000 0.853 107 N CB -0.118 38.387 38.487 0.029 0.000 1.008 107 N HN 0.357 nan 8.380 nan 0.000 0.424 108 H N 1.114 120.167 119.070 -0.027 0.000 2.326 108 H HA 0.096 4.655 4.556 0.006 0.000 0.301 108 H C 2.225 177.544 175.328 -0.014 0.000 1.081 108 H CA 1.289 57.318 56.048 -0.032 0.000 1.334 108 H CB -0.324 29.401 29.762 -0.060 0.000 1.385 108 H HN 0.123 nan 8.280 nan 0.000 0.504 109 I N 0.012 120.531 120.570 -0.085 0.000 2.151 109 I HA -0.277 3.896 4.170 0.006 0.000 0.243 109 I C 2.688 178.768 176.117 -0.062 0.000 1.080 109 I CA 1.536 62.774 61.300 -0.104 0.000 1.339 109 I CB -0.665 37.313 38.000 -0.037 0.000 1.039 109 I HN 0.500 nan 8.210 nan 0.000 0.409 110 G N -0.080 108.727 108.800 0.011 0.000 2.432 110 G HA2 -0.290 3.673 3.960 0.006 0.000 0.219 110 G HA3 -0.290 3.673 3.960 0.006 0.000 0.219 110 G C 1.773 176.755 174.900 0.135 0.000 1.135 110 G CA 1.096 46.260 45.100 0.106 0.000 0.767 110 G HN 0.516 nan 8.290 nan 0.000 0.550 111 S N 0.076 115.778 115.700 0.005 0.000 2.436 111 S HA 0.100 4.574 4.470 0.006 0.000 0.228 111 S C 2.328 176.889 174.600 -0.065 0.000 1.014 111 S CA 0.647 58.847 58.200 0.001 0.000 0.950 111 S CB -0.235 62.930 63.200 -0.058 0.000 0.784 111 S HN 0.297 nan 8.310 nan 0.000 0.504 112 L N 1.541 122.654 121.223 -0.183 0.000 2.072 112 L HA -0.027 4.317 4.340 0.006 0.000 0.205 112 L C 2.559 179.426 176.870 -0.004 0.000 1.079 112 L CA 1.413 56.148 54.840 -0.175 0.000 0.752 112 L CB -1.013 40.951 42.059 -0.158 0.000 0.906 112 L HN 0.396 nan 8.230 nan 0.000 0.436 113 N N -0.544 118.175 118.700 0.031 0.000 2.037 113 N HA -0.263 4.480 4.740 0.006 0.000 0.196 113 N C 1.709 177.137 175.510 -0.136 0.000 1.034 113 N CA 1.912 54.947 53.050 -0.024 0.000 0.861 113 N CB -0.265 38.178 38.487 -0.073 0.000 1.039 113 N HN 0.272 nan 8.380 nan 0.000 0.427 114 W N 0.930 122.217 121.300 -0.022 0.000 2.381 114 W HA 0.028 4.691 4.660 0.006 0.000 0.301 114 W C 2.659 179.138 176.519 -0.066 0.000 1.205 114 W CA 1.131 58.457 57.345 -0.033 0.000 1.285 114 W CB -0.859 28.581 29.460 -0.033 0.000 1.133 114 W HN 0.121 nan 8.180 nan 0.000 0.521 115 G N -0.601 108.230 108.800 0.053 0.000 2.469 115 G HA2 -0.338 3.626 3.960 0.006 0.000 0.219 115 G HA3 -0.338 3.626 3.960 0.006 0.000 0.219 115 G C 1.127 175.918 174.900 -0.182 0.000 1.150 115 G CA 1.321 46.353 45.100 -0.114 0.000 0.763 115 G HN 0.249 nan 8.290 nan 0.000 0.561 116 Y N 0.030 120.271 120.300 -0.097 0.000 2.263 116 Y HA 0.075 4.629 4.550 0.006 0.000 0.292 116 Y C 2.919 178.700 175.900 -0.199 0.000 1.130 116 Y CA 1.182 59.192 58.100 -0.150 0.000 1.179 116 Y CB -0.326 38.015 38.460 -0.198 0.000 0.998 116 Y HN 0.094 nan 8.280 nan 0.000 0.532 117 R N -0.196 120.246 120.500 -0.098 0.000 2.081 117 R HA -0.131 4.212 4.340 0.006 0.000 0.235 117 R C 2.090 178.371 176.300 -0.032 0.000 1.131 117 R CA 1.505 57.483 56.100 -0.203 0.000 0.960 117 R CB -0.543 29.515 30.300 -0.403 0.000 0.856 117 R HN 0.158 nan 8.270 nan 0.000 0.436 118 V N 0.731 120.671 119.914 0.043 0.000 2.307 118 V HA -0.226 3.898 4.120 0.006 0.000 0.245 118 V C 2.390 178.501 176.094 0.029 0.000 1.045 118 V CA 1.903 64.248 62.300 0.074 0.000 1.024 118 V CB -0.736 31.146 31.823 0.099 0.000 0.651 118 V HN 0.565 nan 8.190 nan 0.000 0.449 119 A N -0.101 122.719 122.820 -0.000 0.000 1.892 119 A HA -0.240 4.084 4.320 0.006 0.000 0.218 119 A C 2.210 179.801 177.584 0.011 0.000 1.188 119 A CA 2.217 54.252 52.037 -0.003 0.000 0.631 119 A CB -0.674 18.319 19.000 -0.012 0.000 0.822 119 A HN 0.514 nan 8.150 nan 0.000 0.447 120 L N -1.433 119.795 121.223 0.009 0.000 2.046 120 L HA -0.197 4.147 4.340 0.006 0.000 0.208 120 L C 2.845 179.732 176.870 0.029 0.000 1.077 120 L CA 1.793 56.638 54.840 0.008 0.000 0.747 120 L CB -0.549 41.496 42.059 -0.023 0.000 0.896 120 L HN 0.473 nan 8.230 nan 0.000 0.432 121 R N 0.158 120.683 120.500 0.041 0.000 2.073 121 R HA -0.172 4.171 4.340 0.006 0.000 0.234 121 R C 2.265 178.589 176.300 0.039 0.000 1.134 121 R CA 1.425 57.558 56.100 0.055 0.000 0.952 121 R CB -0.015 30.328 30.300 0.072 0.000 0.850 121 R HN 0.267 nan 8.270 nan 0.000 0.433 122 E N 0.775 120.992 120.200 0.028 0.000 2.085 122 E HA -0.179 4.175 4.350 0.006 0.000 0.194 122 E C 1.647 178.252 176.600 0.008 0.000 0.994 122 E CA 1.147 57.556 56.400 0.016 0.000 0.801 122 E CB -0.061 29.643 29.700 0.007 0.000 0.743 122 E HN 0.214 nan 8.360 nan 0.000 0.453 123 K N 0.677 121.081 120.400 0.007 0.000 2.525 123 K HA 0.015 4.339 4.320 0.006 0.000 0.192 123 K C 0.168 176.772 176.600 0.007 0.000 1.029 123 K CA 0.030 56.316 56.287 -0.002 0.000 1.029 123 K CB 0.095 32.593 32.500 -0.005 0.000 0.814 123 K HN 0.124 nan 8.250 nan 0.000 0.503 124 K N 0.086 120.499 120.400 0.021 0.000 3.117 124 K HA -0.128 4.196 4.320 0.006 0.000 0.269 124 K C -0.694 175.933 176.600 0.046 0.000 1.098 124 K CA 0.206 56.513 56.287 0.034 0.000 0.785 124 K CB -1.774 30.741 32.500 0.026 0.000 1.242 124 K HN -0.092 nan 8.250 nan 0.000 0.491 125 V N 1.347 121.286 119.914 0.042 0.000 2.407 125 V HA 0.174 4.298 4.120 0.006 0.000 0.278 125 V C 0.824 176.953 176.094 0.058 0.000 1.037 125 V CA -0.884 61.439 62.300 0.039 0.000 0.900 125 V CB 1.729 33.559 31.823 0.013 0.000 0.983 125 V HN 0.060 nan 8.190 nan 0.000 0.459 126 V N 6.041 125.990 119.914 0.057 0.000 2.485 126 V HA 0.033 4.156 4.120 0.006 0.000 0.287 126 V C -0.331 175.773 176.094 0.017 0.000 1.022 126 V CA 0.101 62.429 62.300 0.047 0.000 1.067 126 V CB 0.038 31.904 31.823 0.072 0.000 0.967 126 V HN 0.746 nan 8.190 nan 0.000 0.479 127 Y N 5.102 125.359 120.300 -0.071 0.000 2.335 127 Y HA 0.674 5.228 4.550 0.006 0.000 0.338 127 Y C -0.290 175.566 175.900 -0.072 0.000 0.977 127 Y CA -1.523 56.524 58.100 -0.089 0.000 1.114 127 Y CB 1.613 40.031 38.460 -0.069 0.000 1.182 127 Y HN 0.662 nan 8.280 nan 0.000 0.463 128 E N 4.775 124.635 120.200 -0.566 0.000 2.216 128 E HA 0.210 4.564 4.350 0.006 0.000 0.260 128 E C -1.092 175.132 176.600 -0.627 0.000 0.880 128 E CA -0.355 55.722 56.400 -0.537 0.000 0.765 128 E CB 0.568 30.108 29.700 -0.268 0.000 1.174 128 E HN 0.739 nan 8.360 nan 0.000 0.417 129 N N 3.310 121.601 118.700 -0.681 0.000 2.739 129 N HA 0.369 5.112 4.740 0.006 0.000 0.266 129 N C -1.266 174.290 175.510 0.077 0.000 1.168 129 N CA 0.126 53.005 53.050 -0.286 0.000 1.055 129 N CB 0.038 38.395 38.487 -0.216 0.000 1.393 129 N HN 0.407 nan 8.380 nan 0.000 0.514 130 A N 2.923 125.847 122.820 0.173 0.000 2.605 130 A HA 0.225 4.548 4.320 0.006 0.000 0.294 130 A C -1.956 175.703 177.584 0.126 0.000 1.062 130 A CA -0.653 51.495 52.037 0.184 0.000 0.682 130 A CB 0.722 19.752 19.000 0.050 0.000 1.278 130 A HN 0.592 nan 8.150 nan 0.000 0.410 131 Y N 1.334 121.492 120.300 -0.237 0.000 2.336 131 Y HA 0.479 5.033 4.550 0.006 0.000 0.335 131 Y C 0.888 176.703 175.900 -0.143 0.000 1.046 131 Y CA 0.725 58.682 58.100 -0.239 0.000 1.198 131 Y CB 0.958 39.097 38.460 -0.535 0.000 1.182 131 Y HN 0.874 nan 8.280 nan 0.000 0.502 132 G N 5.627 114.138 108.800 -0.481 0.000 2.395 132 G HA2 0.414 4.378 3.960 0.006 0.000 0.283 132 G HA3 0.414 4.378 3.960 0.006 0.000 0.283 132 G C -1.449 173.239 174.900 -0.352 0.000 1.178 132 G CA -0.705 44.188 45.100 -0.344 0.000 0.837 132 G HN 0.636 nan 8.290 nan 0.000 0.518 133 K N 1.920 122.189 120.400 -0.218 0.000 2.588 133 K HA 0.304 4.627 4.320 0.006 0.000 0.250 133 K C -1.137 175.366 176.600 -0.163 0.000 0.972 133 K CA -0.755 55.458 56.287 -0.123 0.000 0.821 133 K CB 1.206 33.742 32.500 0.059 0.000 1.249 133 K HN 0.292 nan 8.250 nan 0.000 0.442 134 F N 4.488 124.391 119.950 -0.078 0.000 2.563 134 F HA 0.080 4.610 4.527 0.006 0.000 0.363 134 F C 1.615 177.383 175.800 -0.052 0.000 1.123 134 F CA 0.222 58.151 58.000 -0.117 0.000 1.307 134 F CB 0.478 39.365 39.000 -0.189 0.000 1.115 134 F HN 0.502 nan 8.300 nan 0.000 0.592 135 I N -0.682 119.989 120.570 0.169 0.000 4.403 135 I HA 0.657 4.830 4.170 0.006 0.000 0.331 135 I C 0.623 176.799 176.117 0.099 0.000 1.327 135 I CA 0.081 61.446 61.300 0.109 0.000 1.175 135 I CB 0.387 38.435 38.000 0.081 0.000 1.165 135 I HN 0.558 nan 8.210 nan 0.000 0.413 136 G N 1.510 110.381 108.800 0.119 0.000 2.328 136 G HA2 0.291 4.255 3.960 0.006 0.000 0.295 136 G HA3 0.291 4.255 3.960 0.006 0.000 0.295 136 G C -3.304 171.667 174.900 0.119 0.000 1.413 136 G CA -0.800 44.356 45.100 0.094 0.000 0.817 136 G HN -0.187 nan 8.290 nan 0.000 0.546 137 P HA 0.066 nan 4.420 nan 0.000 0.260 137 P C 0.196 177.657 177.300 0.269 0.000 1.185 137 P CA 0.981 64.195 63.100 0.189 0.000 0.763 137 P CB -0.090 31.733 31.700 0.205 0.000 0.776 138 H N -0.709 118.466 119.070 0.176 0.000 3.395 138 H HA -0.149 4.411 4.556 0.006 0.000 0.222 138 H C -0.059 175.500 175.328 0.384 0.000 1.099 138 H CA 1.205 57.382 56.048 0.215 0.000 1.182 138 H CB -1.116 28.593 29.762 -0.088 0.000 1.188 138 H HN 0.555 nan 8.280 nan 0.000 0.317 139 K N 0.462 121.078 120.400 0.361 0.000 2.316 139 K HA 0.706 5.030 4.320 0.006 0.000 0.251 139 K C -0.357 176.390 176.600 0.246 0.000 0.934 139 K CA -0.565 55.925 56.287 0.338 0.000 0.802 139 K CB 2.930 35.575 32.500 0.241 0.000 1.171 139 K HN 0.036 nan 8.250 nan 0.000 0.426 140 I N 2.297 123.013 120.570 0.245 0.000 2.828 140 I HA 0.416 4.590 4.170 0.006 0.000 0.302 140 I C -1.350 174.837 176.117 0.117 0.000 1.101 140 I CA -1.107 60.234 61.300 0.067 0.000 1.031 140 I CB 2.137 40.121 38.000 -0.026 0.000 1.231 140 I HN 0.648 nan 8.210 nan 0.000 0.427 141 M N 6.504 126.128 119.600 0.040 0.000 2.294 141 M HA 0.668 5.151 4.480 0.006 0.000 0.335 141 M C -1.275 175.060 176.300 0.058 0.000 1.079 141 M CA -0.491 54.843 55.300 0.056 0.000 0.982 141 M CB 1.531 34.150 32.600 0.030 0.000 1.651 141 M HN 0.666 nan 8.290 nan 0.000 0.437 142 A N 3.745 126.634 122.820 0.114 0.000 2.256 142 A HA 0.599 4.922 4.320 0.006 0.000 0.317 142 A C -0.575 177.037 177.584 0.047 0.000 1.318 142 A CA -0.500 51.596 52.037 0.099 0.000 0.894 142 A CB 0.300 19.435 19.000 0.225 0.000 1.165 142 A HN 0.783 nan 8.150 nan 0.000 0.525 143 T N 3.834 118.389 114.554 0.001 0.000 2.733 143 T HA 0.321 4.675 4.350 0.006 0.000 0.294 143 T C 0.597 175.227 174.700 -0.116 0.000 0.956 143 T CA -0.630 61.435 62.100 -0.058 0.000 0.987 143 T CB 0.324 69.133 68.868 -0.098 0.000 0.920 143 T HN 0.874 nan 8.240 nan 0.000 0.470 144 N N 2.909 121.581 118.700 -0.046 0.000 2.366 144 N HA 0.080 4.824 4.740 0.006 0.000 0.277 144 N C 1.135 176.668 175.510 0.038 0.000 1.275 144 N CA -0.708 52.352 53.050 0.017 0.000 0.964 144 N CB 0.185 38.705 38.487 0.054 0.000 1.167 144 N HN 0.511 nan 8.380 nan 0.000 0.568 145 N N -0.241 118.593 118.700 0.224 0.000 2.137 145 N HA -0.173 4.570 4.740 0.006 0.000 0.190 145 N C 0.533 176.113 175.510 0.117 0.000 1.017 145 N CA 1.185 54.409 53.050 0.289 0.000 0.859 145 N CB 0.005 38.634 38.487 0.236 0.000 1.002 145 N HN 0.528 nan 8.380 nan 0.000 0.428 146 K N -0.741 119.698 120.400 0.065 0.000 2.444 146 K HA 0.114 4.437 4.320 0.006 0.000 0.193 146 K C 0.780 177.383 176.600 0.005 0.000 1.024 146 K CA 0.428 56.734 56.287 0.032 0.000 1.077 146 K CB 0.404 32.922 32.500 0.030 0.000 0.833 146 K HN 0.387 nan 8.250 nan 0.000 0.517 147 G N 1.269 110.060 108.800 -0.015 0.000 2.176 147 G HA2 -0.208 3.756 3.960 0.006 0.000 0.232 147 G HA3 -0.208 3.756 3.960 0.006 0.000 0.232 147 G C -0.320 174.562 174.900 -0.030 0.000 0.986 147 G CA -0.401 44.676 45.100 -0.038 0.000 0.643 147 G HN 0.079 nan 8.290 nan 0.000 0.522 148 K N 1.535 121.926 120.400 -0.015 0.000 2.322 148 K HA 0.431 4.755 4.320 0.006 0.000 0.283 148 K C 0.285 176.878 176.600 -0.013 0.000 1.042 148 K CA 0.070 56.350 56.287 -0.010 0.000 0.958 148 K CB 1.229 33.730 32.500 0.001 0.000 0.984 148 K HN 0.600 nan 8.250 nan 0.000 0.473 149 E N 1.799 121.988 120.200 -0.017 0.000 2.212 149 E HA 0.408 4.761 4.350 0.006 0.000 0.270 149 E C -0.663 175.916 176.600 -0.034 0.000 0.956 149 E CA -0.802 55.587 56.400 -0.019 0.000 0.825 149 E CB 2.199 31.886 29.700 -0.021 0.000 1.167 149 E HN 0.294 nan 8.360 nan 0.000 0.400 150 K N 0.982 121.353 120.400 -0.049 0.000 2.527 150 K HA 0.447 4.771 4.320 0.006 0.000 0.260 150 K C -1.790 174.673 176.600 -0.227 0.000 0.937 150 K CA -0.637 55.552 56.287 -0.164 0.000 0.826 150 K CB 2.005 34.388 32.500 -0.194 0.000 1.359 150 K HN 0.279 nan 8.250 nan 0.000 0.434 151 V N 3.837 123.561 119.914 -0.317 0.000 2.513 151 V HA 0.524 4.648 4.120 0.006 0.000 0.299 151 V C -1.249 174.665 176.094 -0.299 0.000 1.035 151 V CA -0.546 61.650 62.300 -0.174 0.000 0.889 151 V CB 1.168 32.966 31.823 -0.043 0.000 0.988 151 V HN 0.666 nan 8.190 nan 0.000 0.440 152 Y N 1.481 121.878 120.300 0.160 0.000 2.545 152 Y HA 0.651 5.204 4.550 0.006 0.000 0.348 152 Y C 0.342 176.423 175.900 0.301 0.000 1.002 152 Y CA -0.729 57.510 58.100 0.232 0.000 1.039 152 Y CB 2.486 41.094 38.460 0.248 0.000 1.271 152 Y HN 0.657 nan 8.280 nan 0.000 0.467 153 S N 1.133 117.140 115.700 0.511 0.000 2.566 153 S HA 0.987 5.461 4.470 0.006 0.000 0.298 153 S C -0.930 173.887 174.600 0.362 0.000 1.083 153 S CA -0.610 57.875 58.200 0.475 0.000 0.978 153 S CB 2.082 65.562 63.200 0.466 0.000 1.073 153 S HN 1.017 nan 8.310 nan 0.000 0.491 154 A N 0.740 123.636 122.820 0.127 0.000 2.572 154 A HA 0.664 4.987 4.320 0.006 0.000 0.295 154 A C 0.402 177.673 177.584 -0.522 0.000 1.072 154 A CA -0.597 51.311 52.037 -0.215 0.000 0.691 154 A CB 1.243 19.828 19.000 -0.692 0.000 1.291 154 A HN 0.955 nan 8.150 nan 0.000 0.404 155 E N 0.155 120.115 120.200 -0.400 0.000 2.072 155 E HA -0.033 4.320 4.350 0.006 0.000 0.190 155 E C 0.325 176.966 176.600 0.069 0.000 0.982 155 E CA 0.895 57.123 56.400 -0.288 0.000 0.803 155 E CB 0.142 29.914 29.700 0.119 0.000 0.755 155 E HN 0.550 nan 8.360 nan 0.000 0.453 156 R N -0.906 119.629 120.500 0.058 0.000 2.795 156 R HA 0.427 4.770 4.340 0.006 0.000 0.275 156 R C -1.412 174.893 176.300 0.009 0.000 0.981 156 R CA -0.657 55.593 56.100 0.250 0.000 0.917 156 R CB 1.452 31.921 30.300 0.281 0.000 1.202 156 R HN -0.099 nan 8.270 nan 0.000 0.469 157 F N 1.106 121.234 119.950 0.297 0.000 2.563 157 F HA 0.451 4.982 4.527 0.006 0.000 0.316 157 F C -0.622 175.318 175.800 0.233 0.000 1.076 157 F CA -0.989 57.160 58.000 0.249 0.000 0.921 157 F CB 1.770 40.989 39.000 0.364 0.000 1.209 157 F HN 0.163 nan 8.300 nan 0.000 0.462 158 L N 4.531 125.955 121.223 0.335 0.000 2.319 158 L HA 0.612 4.956 4.340 0.006 0.000 0.281 158 L C -0.989 176.004 176.870 0.205 0.000 1.005 158 L CA -0.413 54.577 54.840 0.249 0.000 0.828 158 L CB 0.817 42.965 42.059 0.149 0.000 1.227 158 L HN 0.459 nan 8.230 nan 0.000 0.415 159 I N 5.681 126.365 120.570 0.190 0.000 2.337 159 I HA 0.484 4.657 4.170 0.006 0.000 0.291 159 I C 0.485 176.656 176.117 0.090 0.000 1.046 159 I CA 0.020 61.400 61.300 0.133 0.000 1.324 159 I CB 1.223 39.300 38.000 0.128 0.000 1.409 159 I HN 0.830 nan 8.210 nan 0.000 0.494 160 A N 3.799 126.655 122.820 0.060 0.000 3.308 160 A HA 0.302 4.625 4.320 0.006 0.000 0.275 160 A C 0.738 178.343 177.584 0.034 0.000 0.950 160 A CA -0.368 51.698 52.037 0.048 0.000 0.987 160 A CB -0.256 18.767 19.000 0.039 0.000 1.146 160 A HN 0.741 nan 8.150 nan 0.000 0.488 161 T N -3.121 111.456 114.554 0.038 0.000 3.086 161 T HA 0.466 4.820 4.350 0.006 0.000 0.250 161 T C 1.285 176.024 174.700 0.065 0.000 1.074 161 T CA 0.960 63.080 62.100 0.034 0.000 0.988 161 T CB -0.085 68.790 68.868 0.012 0.000 0.988 161 T HN 2.053 nan 8.240 nan 0.000 0.530 162 G N 1.337 110.179 108.800 0.070 0.000 2.601 162 G HA2 -0.150 3.814 3.960 0.006 0.000 0.252 162 G HA3 -0.150 3.814 3.960 0.006 0.000 0.252 162 G C -0.736 174.223 174.900 0.099 0.000 1.294 162 G CA -0.046 45.107 45.100 0.087 0.000 0.912 162 G HN 0.664 nan 8.290 nan 0.000 0.574 163 E N -0.547 119.722 120.200 0.115 0.000 2.445 163 E HA 0.777 5.130 4.350 0.006 0.000 0.273 163 E C -0.419 176.267 176.600 0.143 0.000 0.961 163 E CA -1.152 55.319 56.400 0.118 0.000 0.807 163 E CB 1.744 31.507 29.700 0.106 0.000 1.362 163 E HN 0.465 nan 8.360 nan 0.000 0.453 164 R N 0.418 121.002 120.500 0.139 0.000 2.740 164 R HA 0.432 4.775 4.340 0.006 0.000 0.273 164 R C -2.806 173.570 176.300 0.127 0.000 0.998 164 R CA -2.517 53.680 56.100 0.161 0.000 0.900 164 R CB 0.994 31.405 30.300 0.185 0.000 1.223 164 R HN 0.314 nan 8.270 nan 0.000 0.466 165 P HA 0.056 nan 4.420 nan 0.000 0.264 165 P C -0.265 177.055 177.300 0.034 0.000 1.183 165 P CA 0.086 63.199 63.100 0.023 0.000 0.763 165 P CB 0.552 32.227 31.700 -0.042 0.000 0.807 166 R N 3.150 123.645 120.500 -0.008 0.000 2.441 166 R HA 0.292 4.636 4.340 0.006 0.000 0.284 166 R C -0.553 175.712 176.300 -0.058 0.000 1.070 166 R CA -0.194 55.931 56.100 0.040 0.000 1.047 166 R CB 0.237 30.557 30.300 0.033 0.000 1.016 166 R HN 0.380 nan 8.270 nan 0.000 0.477 167 Y N 2.193 122.509 120.300 0.028 0.000 2.545 167 Y HA 0.322 4.876 4.550 0.006 0.000 0.324 167 Y C 0.378 176.289 175.900 0.019 0.000 1.220 167 Y CA -0.625 57.487 58.100 0.021 0.000 1.290 167 Y CB 1.048 39.519 38.460 0.018 0.000 1.355 167 Y HN 0.374 nan 8.280 nan 0.000 0.516 168 L N 0.119 121.453 121.223 0.186 0.000 2.468 168 L HA 0.417 4.760 4.340 0.006 0.000 0.254 168 L C 1.202 178.140 176.870 0.113 0.000 1.171 168 L CA -0.404 54.504 54.840 0.113 0.000 0.809 168 L CB 0.414 42.524 42.059 0.085 0.000 1.155 168 L HN 0.879 nan 8.230 nan 0.000 0.473 169 G N 1.531 110.376 108.800 0.076 0.000 3.530 169 G HA2 0.357 4.321 3.960 0.006 0.000 0.269 169 G HA3 0.357 4.321 3.960 0.006 0.000 0.269 169 G C -0.010 174.921 174.900 0.051 0.000 1.314 169 G CA -0.063 45.073 45.100 0.059 0.000 1.441 169 G HN 0.485 nan 8.290 nan 0.000 0.595 170 I N -3.661 116.947 120.570 0.064 0.000 2.646 170 I HA 0.620 4.794 4.170 0.006 0.000 0.299 170 I C -2.812 173.340 176.117 0.057 0.000 1.036 170 I CA -3.434 57.901 61.300 0.059 0.000 1.074 170 I CB 2.464 40.504 38.000 0.066 0.000 1.258 170 I HN -0.261 nan 8.210 nan 0.000 0.430 171 P HA 0.160 nan 4.420 nan 0.000 0.260 171 P C 0.744 178.098 177.300 0.089 0.000 1.185 171 P CA 1.100 64.233 63.100 0.055 0.000 0.763 171 P CB 0.568 32.303 31.700 0.059 0.000 0.776 172 G N 3.668 112.507 108.800 0.066 0.000 2.213 172 G HA2 -0.254 3.710 3.960 0.006 0.000 0.226 172 G HA3 -0.254 3.710 3.960 0.006 0.000 0.226 172 G C 0.914 175.869 174.900 0.092 0.000 0.992 172 G CA 0.427 45.603 45.100 0.126 0.000 0.632 172 G HN 0.560 nan 8.290 nan 0.000 0.511 173 D N 0.965 121.418 120.400 0.089 0.000 2.144 173 D HA -0.024 4.620 4.640 0.006 0.000 0.200 173 D C 1.941 178.333 176.300 0.153 0.000 0.978 173 D CA 1.552 55.651 54.000 0.165 0.000 0.833 173 D CB -0.414 40.519 40.800 0.222 0.000 0.961 173 D HN 0.461 nan 8.370 nan 0.000 0.470 174 K N 0.019 120.360 120.400 -0.098 0.000 2.228 174 K HA -0.038 4.286 4.320 0.006 0.000 0.202 174 K C 1.949 178.429 176.600 -0.200 0.000 1.051 174 K CA 1.085 57.179 56.287 -0.321 0.000 0.960 174 K CB 0.149 32.364 32.500 -0.475 0.000 0.743 174 K HN 0.371 nan 8.250 nan 0.000 0.458 175 E N -0.454 119.572 120.200 -0.290 0.000 2.276 175 E HA -0.095 4.259 4.350 0.006 0.000 0.193 175 E C 0.999 177.339 176.600 -0.433 0.000 0.983 175 E CA 0.970 57.087 56.400 -0.471 0.000 0.861 175 E CB -0.020 29.228 29.700 -0.752 0.000 0.817 175 E HN 0.355 nan 8.360 nan 0.000 0.485 176 Y N 0.619 120.955 120.300 0.059 0.000 2.526 176 Y HA 0.249 4.803 4.550 0.006 0.000 0.265 176 Y C 1.353 177.302 175.900 0.081 0.000 1.092 176 Y CA -1.201 56.937 58.100 0.063 0.000 1.277 176 Y CB 0.094 38.583 38.460 0.048 0.000 1.228 176 Y HN -0.040 nan 8.280 nan 0.000 0.507 177 C N 2.152 121.590 119.300 0.231 0.000 2.422 177 C HA 0.638 5.102 4.460 0.006 0.000 0.364 177 C C 0.587 175.677 174.990 0.168 0.000 1.251 177 C CA -1.131 57.990 59.018 0.172 0.000 2.441 177 C CB 0.021 27.850 27.740 0.147 0.000 2.393 177 C HN 0.334 nan 8.230 nan 0.000 0.606 178 I N 0.328 120.948 120.570 0.085 0.000 2.910 178 I HA 0.828 5.002 4.170 0.006 0.000 0.310 178 I C 0.069 176.168 176.117 -0.031 0.000 1.043 178 I CA -0.124 61.213 61.300 0.062 0.000 1.053 178 I CB 1.861 39.879 38.000 0.030 0.000 1.242 178 I HN 0.700 nan 8.210 nan 0.000 0.452 179 S N 1.251 116.931 115.700 -0.034 0.000 2.806 179 S HA 0.388 4.861 4.470 0.006 0.000 0.315 179 S C 0.992 175.545 174.600 -0.079 0.000 1.127 179 S CA -0.003 58.134 58.200 -0.105 0.000 0.918 179 S CB 1.140 64.257 63.200 -0.138 0.000 1.240 179 S HN 0.924 nan 8.310 nan 0.000 0.552 180 S N 0.280 115.934 115.700 -0.076 0.000 2.402 180 S HA -0.198 4.276 4.470 0.006 0.000 0.233 180 S C 1.050 175.652 174.600 0.003 0.000 1.030 180 S CA 1.713 59.870 58.200 -0.073 0.000 1.003 180 S CB -1.092 62.163 63.200 0.092 0.000 0.813 180 S HN 0.711 nan 8.310 nan 0.000 0.477 181 D N 2.040 122.481 120.400 0.068 0.000 2.182 181 D HA -0.073 4.571 4.640 0.006 0.000 0.201 181 D C 1.522 177.918 176.300 0.159 0.000 0.986 181 D CA 1.400 55.471 54.000 0.119 0.000 0.847 181 D CB -0.331 40.673 40.800 0.340 0.000 0.942 181 D HN 0.595 nan 8.370 nan 0.000 0.467 182 D N -0.530 119.936 120.400 0.109 0.000 2.301 182 D HA -0.031 4.613 4.640 0.006 0.000 0.206 182 D C 2.135 178.444 176.300 0.015 0.000 0.979 182 D CA -0.088 53.973 54.000 0.101 0.000 0.874 182 D CB 0.182 41.039 40.800 0.096 0.000 0.968 182 D HN 0.125 nan 8.370 nan 0.000 0.510 183 L N 0.527 121.675 121.223 -0.125 0.000 2.083 183 L HA -0.119 4.224 4.340 0.006 0.000 0.209 183 L C 1.588 178.379 176.870 -0.132 0.000 1.083 183 L CA 1.569 56.279 54.840 -0.216 0.000 0.752 183 L CB -0.580 41.194 42.059 -0.475 0.000 0.899 183 L HN -0.161 nan 8.230 nan 0.000 0.433 184 F N -0.862 119.169 119.950 0.135 0.000 2.802 184 F HA 0.076 4.607 4.527 0.005 0.000 0.300 184 F C 1.938 177.767 175.800 0.048 0.000 1.168 184 F CA 0.641 58.683 58.000 0.070 0.000 1.433 184 F CB -0.667 38.317 39.000 -0.028 0.000 1.115 184 F HN 0.325 nan 8.300 nan 0.000 0.582 185 S N -1.071 114.749 115.700 0.201 0.000 2.937 185 S HA 0.258 4.732 4.470 0.006 0.000 0.252 185 S C -0.056 174.634 174.600 0.150 0.000 1.022 185 S CA -0.493 57.804 58.200 0.162 0.000 1.079 185 S CB -0.595 62.703 63.200 0.163 0.000 1.035 185 S HN 0.059 nan 8.310 nan 0.000 0.594 186 L N 3.443 124.778 121.223 0.187 0.000 2.584 186 L HA 0.331 4.674 4.340 0.006 0.000 0.272 186 L C -1.929 174.997 176.870 0.093 0.000 1.195 186 L CA -1.198 53.656 54.840 0.023 0.000 0.920 186 L CB 0.531 42.533 42.059 -0.094 0.000 1.173 186 L HN -0.013 nan 8.230 nan 0.000 0.489 187 P HA -0.017 nan 4.420 nan 0.000 0.237 187 P C -1.481 175.914 177.300 0.159 0.000 1.178 187 P CA 0.907 64.060 63.100 0.088 0.000 0.766 187 P CB -0.103 31.679 31.700 0.137 0.000 0.876 188 Y N -4.066 116.329 120.300 0.158 0.000 2.644 188 Y HA 0.553 5.107 4.550 0.006 0.000 0.338 188 Y C -0.420 175.282 175.900 -0.330 0.000 1.119 188 Y CA -2.450 55.670 58.100 0.033 0.000 1.060 188 Y CB -0.007 38.445 38.460 -0.014 0.000 1.294 188 Y HN -0.343 nan 8.280 nan 0.000 0.472 189 C N 3.679 122.893 119.300 -0.144 0.000 2.648 189 C HA 0.280 4.743 4.460 0.006 0.000 0.419 189 C C -1.100 173.668 174.990 -0.371 0.000 1.352 189 C CA -1.288 57.384 59.018 -0.578 0.000 1.816 189 C CB 0.026 27.707 27.740 -0.098 0.000 2.598 189 C HN 0.789 nan 8.230 nan 0.000 0.598 190 P HA 0.113 nan 4.420 nan 0.000 0.219 190 P C 1.015 178.243 177.300 -0.121 0.000 1.146 190 P CA 2.134 65.046 63.100 -0.313 0.000 0.808 190 P CB -0.142 31.301 31.700 -0.429 0.000 0.779 191 G N -0.508 108.220 108.800 -0.120 0.000 2.569 191 G HA2 -0.311 3.653 3.960 0.006 0.000 0.259 191 G HA3 -0.311 3.653 3.960 0.006 0.000 0.259 191 G C -0.360 174.526 174.900 -0.023 0.000 1.263 191 G CA -0.272 44.800 45.100 -0.046 0.000 0.928 191 G HN 0.458 nan 8.290 nan 0.000 0.572 192 K N 0.777 121.182 120.400 0.008 0.000 2.447 192 K HA 0.412 4.736 4.320 0.006 0.000 0.281 192 K C -0.351 176.327 176.600 0.130 0.000 1.031 192 K CA 0.924 57.245 56.287 0.056 0.000 1.019 192 K CB -0.170 32.352 32.500 0.037 0.000 0.918 192 K HN 0.540 nan 8.250 nan 0.000 0.476 193 T N 4.631 119.247 114.554 0.104 0.000 2.876 193 T HA 0.327 4.680 4.350 0.006 0.000 0.289 193 T C -1.245 173.368 174.700 -0.145 0.000 1.014 193 T CA -0.740 61.353 62.100 -0.011 0.000 0.986 193 T CB 1.194 69.998 68.868 -0.106 0.000 1.021 193 T HN 0.461 nan 8.240 nan 0.000 0.458 194 L N 4.116 125.039 121.223 -0.499 0.000 2.287 194 L HA 0.698 5.041 4.340 0.006 0.000 0.287 194 L C -1.015 175.602 176.870 -0.422 0.000 1.022 194 L CA -0.482 53.910 54.840 -0.746 0.000 0.814 194 L CB 1.129 42.286 42.059 -1.503 0.000 1.217 194 L HN 0.438 nan 8.230 nan 0.000 0.420 195 V N 6.113 125.833 119.914 -0.322 0.000 2.370 195 V HA 0.450 4.573 4.120 0.006 0.000 0.279 195 V C -0.244 175.729 176.094 -0.203 0.000 1.029 195 V CA -0.646 61.509 62.300 -0.242 0.000 0.870 195 V CB 1.609 33.299 31.823 -0.222 0.000 0.984 195 V HN 0.526 nan 8.190 nan 0.000 0.451 196 V N 4.624 124.441 119.914 -0.163 0.000 2.370 196 V HA 0.956 5.079 4.120 0.006 0.000 0.283 196 V C 0.546 176.594 176.094 -0.078 0.000 1.023 196 V CA 0.490 62.724 62.300 -0.110 0.000 0.857 196 V CB 0.834 32.600 31.823 -0.095 0.000 0.985 196 V HN 1.270 nan 8.190 nan 0.000 0.443 197 G N 3.956 112.732 108.800 -0.040 0.000 2.406 197 G HA2 0.466 4.430 3.960 0.006 0.000 0.680 197 G HA3 0.466 4.430 3.960 0.006 0.000 0.680 197 G C -0.347 174.558 174.900 0.009 0.000 1.338 197 G CA -0.025 45.065 45.100 -0.017 0.000 0.941 197 G HN 1.447 nan 8.290 nan 0.000 0.633 198 A N -0.083 122.762 122.820 0.041 0.000 2.592 198 A HA 0.821 5.144 4.320 0.006 0.000 0.290 198 A C 0.763 178.400 177.584 0.089 0.000 0.998 198 A CA 1.394 53.481 52.037 0.083 0.000 0.983 198 A CB 0.277 19.347 19.000 0.116 0.000 1.240 198 A HN 1.713 nan 8.150 nan 0.000 0.535 199 S N -1.491 114.248 115.700 0.064 0.000 2.623 199 S HA 0.459 4.933 4.470 0.006 0.000 0.287 199 S C 1.413 176.065 174.600 0.087 0.000 1.123 199 S CA 0.205 58.471 58.200 0.109 0.000 1.016 199 S CB 0.159 63.445 63.200 0.144 0.000 1.233 199 S HN 0.750 nan 8.310 nan 0.000 0.512 200 Y N 0.137 120.490 120.300 0.088 0.000 2.224 200 Y HA 0.016 4.569 4.550 0.006 0.000 0.289 200 Y C 1.798 177.761 175.900 0.104 0.000 1.146 200 Y CA 1.463 59.602 58.100 0.066 0.000 1.182 200 Y CB -1.296 37.216 38.460 0.087 0.000 0.983 200 Y HN 0.178 nan 8.280 nan 0.000 0.524 201 V N 1.399 121.082 119.914 -0.385 0.000 2.270 201 V HA -0.278 3.845 4.120 0.006 0.000 0.245 201 V C 2.917 178.979 176.094 -0.052 0.000 1.043 201 V CA 1.920 64.106 62.300 -0.190 0.000 1.014 201 V CB -1.479 30.185 31.823 -0.265 0.000 0.645 201 V HN 0.634 nan 8.190 nan 0.000 0.447 202 A N -0.157 122.619 122.820 -0.072 0.000 1.883 202 A HA -0.179 4.145 4.320 0.006 0.000 0.217 202 A C 2.216 179.779 177.584 -0.035 0.000 1.186 202 A CA 2.002 54.002 52.037 -0.063 0.000 0.624 202 A CB -0.586 18.384 19.000 -0.051 0.000 0.822 202 A HN 0.499 nan 8.150 nan 0.000 0.444 203 L N -1.009 120.232 121.223 0.029 0.000 2.072 203 L HA -0.166 4.178 4.340 0.006 0.000 0.205 203 L C 2.625 179.547 176.870 0.085 0.000 1.079 203 L CA 1.463 56.345 54.840 0.070 0.000 0.752 203 L CB -0.767 41.361 42.059 0.115 0.000 0.906 203 L HN 0.483 nan 8.230 nan 0.000 0.436 204 E N -0.204 120.078 120.200 0.137 0.000 2.038 204 E HA -0.252 4.102 4.350 0.006 0.000 0.195 204 E C 2.315 179.010 176.600 0.159 0.000 1.000 204 E CA 1.885 58.424 56.400 0.230 0.000 0.803 204 E CB -0.219 29.682 29.700 0.334 0.000 0.750 204 E HN 0.549 nan 8.360 nan 0.000 0.448 205 C N 0.655 119.942 119.300 -0.021 0.000 2.446 205 C HA -0.027 4.437 4.460 0.006 0.000 0.277 205 C C 2.922 177.540 174.990 -0.619 0.000 1.275 205 C CA 0.568 59.269 59.018 -0.529 0.000 1.727 205 C CB -1.005 26.537 27.740 -0.330 0.000 2.010 205 C HN 0.512 nan 8.230 nan 0.000 0.486 206 A N 1.163 123.807 122.820 -0.292 0.000 1.940 206 A HA 0.012 4.336 4.320 0.006 0.000 0.219 206 A C 2.357 179.840 177.584 -0.168 0.000 1.176 206 A CA 2.207 54.101 52.037 -0.239 0.000 0.631 206 A CB -1.270 17.615 19.000 -0.192 0.000 0.814 206 A HN 0.560 nan 8.150 nan 0.000 0.446 207 G N 0.047 108.810 108.800 -0.062 0.000 2.480 207 G HA2 -0.223 3.740 3.960 0.006 0.000 0.216 207 G HA3 -0.223 3.740 3.960 0.006 0.000 0.216 207 G C 1.388 176.368 174.900 0.133 0.000 1.200 207 G CA 1.411 46.570 45.100 0.098 0.000 0.782 207 G HN 0.859 nan 8.290 nan 0.000 0.554 208 F N 0.660 120.711 119.950 0.167 0.000 2.367 208 F HA 0.316 4.846 4.527 0.005 0.000 0.298 208 F C 2.170 178.036 175.800 0.110 0.000 1.094 208 F CA 0.221 58.314 58.000 0.156 0.000 1.409 208 F CB -0.540 38.579 39.000 0.199 0.000 1.064 208 F HN 0.052 nan 8.300 nan 0.000 0.528 209 L N 1.014 122.088 121.223 -0.248 0.000 2.046 209 L HA -0.141 4.203 4.340 0.006 0.000 0.208 209 L C 2.964 179.841 176.870 0.012 0.000 1.077 209 L CA 1.297 56.099 54.840 -0.065 0.000 0.747 209 L CB -1.233 40.697 42.059 -0.215 0.000 0.896 209 L HN 0.355 nan 8.230 nan 0.000 0.432 210 A N 0.399 123.212 122.820 -0.011 0.000 1.898 210 A HA -0.090 4.234 4.320 0.006 0.000 0.216 210 A C 2.404 180.021 177.584 0.054 0.000 1.181 210 A CA 1.572 53.621 52.037 0.020 0.000 0.620 210 A CB -1.215 17.798 19.000 0.022 0.000 0.819 210 A HN 0.433 nan 8.150 nan 0.000 0.442 211 G N 0.594 109.448 108.800 0.090 0.000 2.470 211 G HA2 -0.100 3.863 3.960 0.006 0.000 0.220 211 G HA3 -0.100 3.863 3.960 0.006 0.000 0.220 211 G C 1.302 176.220 174.900 0.029 0.000 1.121 211 G CA 1.105 46.254 45.100 0.080 0.000 0.766 211 G HN 0.878 nan 8.290 nan 0.000 0.553 212 I N -3.251 117.331 120.570 0.020 0.000 3.812 212 I HA 0.521 4.695 4.170 0.006 0.000 0.320 212 I C 1.341 177.456 176.117 -0.002 0.000 1.276 212 I CA 0.354 61.590 61.300 -0.108 0.000 1.164 212 I CB 0.183 37.995 38.000 -0.314 0.000 1.009 212 I HN 0.132 nan 8.210 nan 0.000 0.431 213 G N 1.565 110.387 108.800 0.037 0.000 2.148 213 G HA2 -0.168 3.796 3.960 0.006 0.000 0.203 213 G HA3 -0.168 3.796 3.960 0.006 0.000 0.203 213 G C -0.081 174.849 174.900 0.049 0.000 0.993 213 G CA -0.194 44.936 45.100 0.051 0.000 0.661 213 G HN 0.342 nan 8.290 nan 0.000 0.518 214 L N 0.780 122.029 121.223 0.043 0.000 2.399 214 L HA 0.491 4.834 4.340 0.006 0.000 0.266 214 L C 0.329 177.203 176.870 0.006 0.000 1.114 214 L CA -0.931 53.923 54.840 0.024 0.000 0.804 214 L CB 0.901 42.966 42.059 0.010 0.000 1.146 214 L HN 0.116 nan 8.230 nan 0.000 0.451 215 D N 1.999 122.401 120.400 0.004 0.000 2.338 215 D HA 0.259 4.903 4.640 0.006 0.000 0.255 215 D C -0.983 175.319 176.300 0.002 0.000 1.237 215 D CA -0.014 53.987 54.000 0.002 0.000 0.883 215 D CB 0.948 41.750 40.800 0.003 0.000 1.087 215 D HN 0.061 nan 8.370 nan 0.000 0.485 216 V N 3.632 123.531 119.914 -0.024 0.000 2.604 216 V HA 0.484 4.608 4.120 0.006 0.000 0.305 216 V C 0.263 176.299 176.094 -0.097 0.000 1.043 216 V CA -0.683 61.576 62.300 -0.068 0.000 0.888 216 V CB 2.227 33.983 31.823 -0.113 0.000 0.995 216 V HN 0.557 nan 8.190 nan 0.000 0.429 217 T N 3.404 117.887 114.554 -0.119 0.000 2.848 217 T HA 0.594 4.948 4.350 0.006 0.000 0.285 217 T C -0.654 173.873 174.700 -0.288 0.000 0.995 217 T CA -0.427 61.574 62.100 -0.164 0.000 0.970 217 T CB 1.863 70.736 68.868 0.008 0.000 0.976 217 T HN 0.342 nan 8.240 nan 0.000 0.441 218 V N 4.126 123.785 119.914 -0.425 0.000 2.435 218 V HA 0.516 4.640 4.120 0.006 0.000 0.290 218 V C -0.100 175.877 176.094 -0.196 0.000 1.030 218 V CA -0.802 61.263 62.300 -0.392 0.000 0.881 218 V CB 1.595 33.027 31.823 -0.652 0.000 0.983 218 V HN 0.883 nan 8.190 nan 0.000 0.445 219 M N 6.078 125.613 119.600 -0.108 0.000 2.149 219 M HA 0.602 5.086 4.480 0.006 0.000 0.342 219 M C -1.477 174.858 176.300 0.057 0.000 1.068 219 M CA -0.382 54.915 55.300 -0.004 0.000 0.991 219 M CB 1.320 33.903 32.600 -0.029 0.000 1.596 219 M HN 0.451 nan 8.290 nan 0.000 0.439 220 V N 6.062 126.055 119.914 0.132 0.000 2.398 220 V HA 0.371 4.495 4.120 0.006 0.000 0.286 220 V C 0.827 176.993 176.094 0.120 0.000 1.026 220 V CA -0.591 61.790 62.300 0.136 0.000 0.868 220 V CB 1.374 33.306 31.823 0.181 0.000 0.982 220 V HN 1.005 nan 8.190 nan 0.000 0.443 221 R N 2.837 123.389 120.500 0.086 0.000 2.062 221 R HA -0.067 4.277 4.340 0.006 0.000 0.229 221 R C 1.643 177.973 176.300 0.051 0.000 1.128 221 R CA 1.942 58.080 56.100 0.064 0.000 0.960 221 R CB 0.218 30.547 30.300 0.048 0.000 0.855 221 R HN 0.909 nan 8.270 nan 0.000 0.432 222 S N -0.584 115.149 115.700 0.055 0.000 4.002 222 S HA 0.236 4.709 4.470 0.006 0.000 0.167 222 S C 0.649 175.279 174.600 0.050 0.000 0.914 222 S CA -0.329 57.897 58.200 0.044 0.000 1.110 222 S CB -0.343 62.877 63.200 0.035 0.000 1.714 222 S HN 0.291 nan 8.310 nan 0.000 0.858 223 I N 0.613 121.214 120.570 0.053 0.000 2.822 223 I HA 0.635 4.808 4.170 0.006 0.000 0.312 223 I C -0.951 175.207 176.117 0.068 0.000 1.011 223 I CA -1.432 59.898 61.300 0.050 0.000 1.105 223 I CB 1.128 39.156 38.000 0.047 0.000 1.291 223 I HN 0.372 nan 8.210 nan 0.000 0.474 224 L N 3.974 125.230 121.223 0.055 0.000 2.350 224 L HA 0.351 4.694 4.340 0.006 0.000 0.275 224 L C 0.047 176.974 176.870 0.096 0.000 1.099 224 L CA -0.874 54.008 54.840 0.071 0.000 0.808 224 L CB 0.913 42.990 42.059 0.029 0.000 1.149 224 L HN 0.658 nan 8.230 nan 0.000 0.442 225 L N 2.112 123.412 121.223 0.128 0.000 3.795 225 L HA -0.224 4.119 4.340 0.006 0.000 0.489 225 L C 0.802 177.883 176.870 0.352 0.000 1.259 225 L CA 0.247 55.218 54.840 0.219 0.000 0.765 225 L CB -1.272 40.814 42.059 0.046 0.000 1.519 225 L HN 0.702 nan 8.230 nan 0.000 0.842 226 R N 0.927 121.580 120.500 0.255 0.000 2.537 226 R HA 0.232 4.576 4.340 0.006 0.000 0.281 226 R C 1.461 177.909 176.300 0.247 0.000 0.988 226 R CA 1.416 57.640 56.100 0.206 0.000 1.077 226 R CB 0.250 30.635 30.300 0.141 0.000 0.932 226 R HN 0.564 nan 8.270 nan 0.000 0.409 227 G N 3.372 112.272 108.800 0.168 0.000 2.313 227 G HA2 -0.272 3.692 3.960 0.006 0.000 0.215 227 G HA3 -0.272 3.692 3.960 0.006 0.000 0.215 227 G C -0.130 174.769 174.900 -0.003 0.000 1.023 227 G CA -0.136 44.994 45.100 0.049 0.000 0.626 227 G HN 0.507 nan 8.290 nan 0.000 0.503 228 F N 2.184 122.219 119.950 0.142 0.000 2.370 228 F HA 0.491 5.023 4.527 0.007 0.000 0.319 228 F C 0.909 176.796 175.800 0.144 0.000 1.129 228 F CA -0.455 57.662 58.000 0.195 0.000 1.109 228 F CB 0.525 39.684 39.000 0.264 0.000 1.262 228 F HN 0.023 nan 8.300 nan 0.000 0.534 229 D N 1.843 122.473 120.400 0.383 0.000 2.502 229 D HA -0.103 4.540 4.640 0.006 0.000 0.249 229 D C 0.766 177.113 176.300 0.078 0.000 1.188 229 D CA 0.166 54.257 54.000 0.153 0.000 0.890 229 D CB 0.916 41.710 40.800 -0.009 0.000 1.140 229 D HN 0.461 nan 8.370 nan 0.000 0.505 230 Q N 3.000 122.827 119.800 0.044 0.000 2.224 230 Q HA -0.142 4.201 4.340 0.006 0.000 0.203 230 Q C 1.253 177.229 176.000 -0.040 0.000 0.970 230 Q CA 0.970 56.783 55.803 0.017 0.000 0.865 230 Q CB -0.069 28.681 28.738 0.021 0.000 0.922 230 Q HN 0.636 nan 8.270 nan 0.000 0.445 231 D N -0.390 119.972 120.400 -0.063 0.000 2.144 231 D HA -0.106 4.538 4.640 0.006 0.000 0.200 231 D C 1.670 177.877 176.300 -0.155 0.000 0.978 231 D CA 0.791 54.729 54.000 -0.103 0.000 0.833 231 D CB 0.227 40.968 40.800 -0.099 0.000 0.961 231 D HN 0.012 nan 8.370 nan 0.000 0.470 232 M N 0.498 119.991 119.600 -0.180 0.000 2.086 232 M HA -0.003 4.480 4.480 0.006 0.000 0.261 232 M C 2.392 178.492 176.300 -0.333 0.000 1.067 232 M CA 1.223 56.331 55.300 -0.319 0.000 1.116 232 M CB -1.470 30.796 32.600 -0.558 0.000 1.348 232 M HN 0.110 nan 8.290 nan 0.000 0.407 233 A N 0.954 123.638 122.820 -0.226 0.000 1.908 233 A HA -0.199 4.125 4.320 0.006 0.000 0.218 233 A C 2.041 179.550 177.584 -0.125 0.000 1.181 233 A CA 1.942 53.888 52.037 -0.152 0.000 0.627 233 A CB -0.823 18.153 19.000 -0.040 0.000 0.818 233 A HN 0.507 nan 8.150 nan 0.000 0.445 234 N N -0.116 118.514 118.700 -0.116 0.000 2.188 234 N HA -0.106 4.637 4.740 0.006 0.000 0.184 234 N C 1.608 177.049 175.510 -0.115 0.000 1.018 234 N CA 1.404 54.385 53.050 -0.115 0.000 0.858 234 N CB -0.305 38.122 38.487 -0.100 0.000 0.989 234 N HN 0.578 nan 8.380 nan 0.000 0.426 235 K N 0.618 120.945 120.400 -0.121 0.000 2.057 235 K HA 0.043 4.366 4.320 0.006 0.000 0.206 235 K C 2.073 178.658 176.600 -0.025 0.000 1.050 235 K CA 0.655 56.894 56.287 -0.081 0.000 0.935 235 K CB -0.090 32.340 32.500 -0.116 0.000 0.715 235 K HN 0.119 nan 8.250 nan 0.000 0.439 236 I N 0.683 121.216 120.570 -0.062 0.000 2.163 236 I HA -0.249 3.925 4.170 0.006 0.000 0.243 236 I C 2.487 178.635 176.117 0.051 0.000 1.085 236 I CA 1.517 62.818 61.300 0.001 0.000 1.347 236 I CB -0.690 37.281 38.000 -0.048 0.000 1.044 236 I HN 0.302 nan 8.210 nan 0.000 0.408 237 G N 0.133 108.898 108.800 -0.057 0.000 2.446 237 G HA2 -0.266 3.698 3.960 0.006 0.000 0.217 237 G HA3 -0.266 3.698 3.960 0.006 0.000 0.217 237 G C 1.539 176.318 174.900 -0.202 0.000 1.168 237 G CA 0.821 45.792 45.100 -0.215 0.000 0.771 237 G HN 0.399 nan 8.290 nan 0.000 0.551 238 E N -0.756 119.378 120.200 -0.110 0.000 2.085 238 E HA -0.170 4.183 4.350 0.006 0.000 0.194 238 E C 2.209 178.839 176.600 0.049 0.000 0.994 238 E CA 0.813 57.179 56.400 -0.056 0.000 0.801 238 E CB -0.242 29.433 29.700 -0.041 0.000 0.743 238 E HN 0.565 nan 8.360 nan 0.000 0.453 239 H N 0.369 119.469 119.070 0.049 0.000 2.353 239 H HA -0.093 4.467 4.556 0.007 0.000 0.300 239 H C 2.062 177.543 175.328 0.255 0.000 1.090 239 H CA 1.506 57.654 56.048 0.167 0.000 1.327 239 H CB 0.015 29.867 29.762 0.150 0.000 1.383 239 H HN 0.173 nan 8.280 nan 0.000 0.508 240 M N 0.299 120.081 119.600 0.303 0.000 2.159 240 M HA -0.166 4.318 4.480 0.006 0.000 0.263 240 M C 2.430 178.900 176.300 0.283 0.000 1.063 240 M CA 1.873 57.368 55.300 0.325 0.000 1.110 240 M CB -0.138 32.740 32.600 0.463 0.000 1.374 240 M HN 0.295 nan 8.290 nan 0.000 0.411 241 E N 0.641 120.984 120.200 0.239 0.000 2.077 241 E HA -0.209 4.144 4.350 0.006 0.000 0.193 241 E C 1.658 178.273 176.600 0.025 0.000 0.989 241 E CA 1.399 57.908 56.400 0.181 0.000 0.800 241 E CB 0.092 29.829 29.700 0.063 0.000 0.746 241 E HN 0.480 nan 8.360 nan 0.000 0.452 242 E N -0.966 119.187 120.200 -0.078 0.000 2.268 242 E HA -0.140 4.214 4.350 0.006 0.000 0.195 242 E C 0.246 176.560 176.600 -0.477 0.000 0.995 242 E CA 0.797 57.032 56.400 -0.275 0.000 0.836 242 E CB 0.046 29.534 29.700 -0.354 0.000 0.763 242 E HN 0.410 nan 8.360 nan 0.000 0.491 243 H N -1.353 117.627 119.070 -0.149 0.000 2.476 243 H HA 0.328 4.887 4.556 0.005 0.000 0.256 243 H C 0.629 175.931 175.328 -0.044 0.000 1.321 243 H CA 0.133 56.104 56.048 -0.129 0.000 1.056 243 H CB 0.764 30.395 29.762 -0.219 0.000 1.643 243 H HN 0.259 nan 8.280 nan 0.000 0.541 244 G N 0.487 109.301 108.800 0.024 0.000 3.642 244 G HA2 -0.290 3.673 3.960 0.006 0.000 0.205 244 G HA3 -0.290 3.673 3.960 0.006 0.000 0.205 244 G C 0.261 175.176 174.900 0.026 0.000 1.526 244 G CA -0.322 44.793 45.100 0.026 0.000 1.097 244 G HN 0.311 nan 8.290 nan 0.000 0.596 245 I N 3.404 123.995 120.570 0.035 0.000 3.015 245 I HA 0.084 4.258 4.170 0.006 0.000 0.309 245 I C 0.893 177.000 176.117 -0.017 0.000 1.229 245 I CA 0.933 62.211 61.300 -0.037 0.000 1.430 245 I CB 0.275 38.243 38.000 -0.054 0.000 1.347 245 I HN 0.236 nan 8.210 nan 0.000 0.544 246 K N 6.653 126.995 120.400 -0.097 0.000 2.143 246 K HA 0.569 4.892 4.320 0.006 0.000 0.272 246 K C -0.966 175.533 176.600 -0.169 0.000 1.001 246 K CA -0.502 55.776 56.287 -0.016 0.000 0.915 246 K CB 1.117 33.612 32.500 -0.009 0.000 1.047 246 K HN 0.214 nan 8.250 nan 0.000 0.458 247 F N 1.889 121.842 119.950 0.004 0.000 2.482 247 F HA 0.422 4.952 4.527 0.005 0.000 0.331 247 F C 0.050 175.857 175.800 0.011 0.000 1.115 247 F CA -0.825 57.180 58.000 0.008 0.000 0.955 247 F CB 1.206 40.215 39.000 0.015 0.000 1.136 247 F HN 0.221 nan 8.300 nan 0.000 0.452 248 I N 5.063 125.726 120.570 0.154 0.000 2.330 248 I HA 0.390 4.564 4.170 0.006 0.000 0.289 248 I C -0.431 175.819 176.117 0.221 0.000 1.001 248 I CA -0.850 60.517 61.300 0.112 0.000 1.193 248 I CB 0.746 38.727 38.000 -0.032 0.000 1.345 248 I HN 0.371 nan 8.210 nan 0.000 0.461 249 R N 4.993 125.649 120.500 0.261 0.000 2.368 249 R HA 0.375 4.718 4.340 0.006 0.000 0.302 249 R C -0.311 176.165 176.300 0.295 0.000 1.002 249 R CA -0.792 55.453 56.100 0.242 0.000 0.929 249 R CB 0.946 31.338 30.300 0.154 0.000 1.073 249 R HN 0.550 nan 8.270 nan 0.000 0.464 250 Q N 0.713 120.617 119.800 0.173 0.000 2.457 250 Q HA -0.213 4.131 4.340 0.006 0.000 0.333 250 Q C -1.337 174.596 176.000 -0.111 0.000 1.448 250 Q CA 0.921 56.743 55.803 0.031 0.000 0.891 250 Q CB -1.347 27.357 28.738 -0.056 0.000 1.142 250 Q HN 0.449 nan 8.270 nan 0.000 0.375 251 F N -1.280 118.689 119.950 0.032 0.000 2.631 251 F HA 0.747 5.278 4.527 0.007 0.000 0.308 251 F C -0.219 175.594 175.800 0.022 0.000 1.097 251 F CA -1.005 57.012 58.000 0.028 0.000 0.952 251 F CB 1.911 40.931 39.000 0.032 0.000 1.307 251 F HN -0.133 nan 8.300 nan 0.000 0.450 252 V N 3.436 123.472 119.914 0.203 0.000 2.686 252 V HA 0.471 4.595 4.120 0.006 0.000 0.306 252 V C -2.335 173.836 176.094 0.128 0.000 1.065 252 V CA -1.937 60.436 62.300 0.121 0.000 0.894 252 V CB 2.384 34.246 31.823 0.065 0.000 1.004 252 V HN 0.462 nan 8.190 nan 0.000 0.424 253 P HA 0.178 nan 4.420 nan 0.000 0.269 253 P C 0.315 177.661 177.300 0.077 0.000 1.209 253 P CA 0.157 63.306 63.100 0.081 0.000 0.776 253 P CB 1.024 32.753 31.700 0.047 0.000 0.876 254 T N -1.304 113.298 114.554 0.079 0.000 2.964 254 T HA 0.175 4.528 4.350 0.006 0.000 0.249 254 T C 0.481 175.220 174.700 0.066 0.000 1.000 254 T CA 0.058 62.199 62.100 0.069 0.000 0.992 254 T CB 0.119 69.028 68.868 0.068 0.000 1.087 254 T HN 0.574 nan 8.240 nan 0.000 0.489 255 K N 0.436 120.879 120.400 0.072 0.000 2.551 255 K HA 0.694 5.018 4.320 0.006 0.000 0.269 255 K C -2.209 174.443 176.600 0.087 0.000 0.949 255 K CA -1.102 55.231 56.287 0.078 0.000 0.849 255 K CB 1.648 34.189 32.500 0.070 0.000 1.411 255 K HN 0.005 nan 8.250 nan 0.000 0.432 256 I N 1.934 122.572 120.570 0.114 0.000 2.410 256 I HA 0.208 4.381 4.170 0.006 0.000 0.286 256 I C -0.949 175.253 176.117 0.140 0.000 1.009 256 I CA -0.241 61.134 61.300 0.124 0.000 1.111 256 I CB 1.932 40.028 38.000 0.161 0.000 1.262 256 I HN 0.652 nan 8.210 nan 0.000 0.443 257 E N 5.379 125.596 120.200 0.029 0.000 2.222 257 E HA 0.455 4.808 4.350 0.006 0.000 0.267 257 E C -1.038 175.396 176.600 -0.277 0.000 0.884 257 E CA -1.105 55.257 56.400 -0.065 0.000 0.764 257 E CB 1.885 31.579 29.700 -0.009 0.000 1.169 257 E HN 0.491 nan 8.360 nan 0.000 0.413 258 Q N 2.867 122.302 119.800 -0.608 0.000 2.296 258 Q HA 0.145 4.488 4.340 0.006 0.000 0.262 258 Q C -0.042 175.792 176.000 -0.275 0.000 0.981 258 Q CA 0.047 55.483 55.803 -0.611 0.000 0.905 258 Q CB 0.739 28.907 28.738 -0.950 0.000 1.186 258 Q HN 0.790 nan 8.270 nan 0.000 0.399 259 I N 2.579 123.033 120.570 -0.193 0.000 3.035 259 I HA 0.130 4.303 4.170 0.006 0.000 0.271 259 I C 0.349 176.404 176.117 -0.104 0.000 1.190 259 I CA 0.445 61.673 61.300 -0.120 0.000 1.472 259 I CB 0.431 38.375 38.000 -0.095 0.000 1.116 259 I HN 0.684 nan 8.210 nan 0.000 0.443 260 E N 0.422 120.551 120.200 -0.118 0.000 2.388 260 E HA 0.512 4.865 4.350 0.006 0.000 0.289 260 E C -1.203 175.341 176.600 -0.094 0.000 0.944 260 E CA -0.555 55.791 56.400 -0.090 0.000 0.792 260 E CB 1.583 31.237 29.700 -0.076 0.000 1.239 260 E HN 0.093 nan 8.360 nan 0.000 0.412 261 A N 2.167 124.948 122.820 -0.066 0.000 2.346 261 A HA 0.864 5.188 4.320 0.006 0.000 0.252 261 A C 0.519 178.057 177.584 -0.076 0.000 1.089 261 A CA 0.730 52.736 52.037 -0.051 0.000 0.797 261 A CB 0.714 19.708 19.000 -0.011 0.000 1.047 261 A HN 0.821 nan 8.150 nan 0.000 0.494 262 G N -1.373 107.364 108.800 -0.104 0.000 2.324 262 G HA2 0.529 4.492 3.960 0.006 0.000 0.293 262 G HA3 0.529 4.492 3.960 0.006 0.000 0.293 262 G C -0.646 174.072 174.900 -0.303 0.000 1.297 262 G CA 0.200 45.205 45.100 -0.158 0.000 0.853 262 G HN 1.698 nan 8.290 nan 0.000 0.535 263 T N -0.437 113.871 114.554 -0.410 0.000 3.428 263 T HA 0.640 4.993 4.350 0.006 0.000 0.301 263 T C -2.648 171.603 174.700 -0.748 0.000 1.323 263 T CA -1.029 60.543 62.100 -0.879 0.000 1.647 263 T CB 1.621 70.230 68.868 -0.432 0.000 0.871 263 T HN 0.560 nan 8.240 nan 0.000 0.627 264 P HA 0.524 nan 4.420 nan 0.000 0.279 264 P C 0.617 177.734 177.300 -0.304 0.000 1.252 264 P CA -0.082 62.672 63.100 -0.576 0.000 0.811 264 P CB 1.267 32.846 31.700 -0.203 0.000 1.035 265 G N 1.410 110.079 108.800 -0.219 0.000 2.630 265 G HA2 0.475 4.439 3.960 0.006 0.000 0.223 265 G HA3 0.475 4.439 3.960 0.006 0.000 0.223 265 G C -0.666 174.175 174.900 -0.099 0.000 1.434 265 G CA -0.750 44.267 45.100 -0.138 0.000 1.057 265 G HN 0.459 nan 8.290 nan 0.000 0.570 266 R N -0.951 119.492 120.500 -0.094 0.000 2.532 266 R HA 0.523 4.866 4.340 0.006 0.000 0.297 266 R C -1.256 174.989 176.300 -0.092 0.000 0.984 266 R CA -0.428 55.625 56.100 -0.079 0.000 0.884 266 R CB 1.952 32.202 30.300 -0.083 0.000 1.182 266 R HN 0.258 nan 8.270 nan 0.000 0.442 267 L N 2.182 123.378 121.223 -0.045 0.000 2.386 267 L HA 0.543 4.886 4.340 0.006 0.000 0.271 267 L C -0.452 176.429 176.870 0.017 0.000 0.993 267 L CA -0.860 53.952 54.840 -0.045 0.000 0.819 267 L CB 2.273 44.334 42.059 0.003 0.000 1.294 267 L HN 0.374 nan 8.230 nan 0.000 0.414 268 K N 2.371 122.764 120.400 -0.011 0.000 2.240 268 K HA 0.624 4.948 4.320 0.006 0.000 0.271 268 K C -1.368 175.274 176.600 0.070 0.000 1.018 268 K CA -0.493 55.805 56.287 0.019 0.000 0.874 268 K CB 1.685 34.173 32.500 -0.020 0.000 1.098 268 K HN 0.371 nan 8.250 nan 0.000 0.458 269 V N 3.407 123.404 119.914 0.138 0.000 2.459 269 V HA 0.346 4.470 4.120 0.006 0.000 0.295 269 V C -0.423 175.734 176.094 0.106 0.000 1.029 269 V CA -0.659 61.724 62.300 0.139 0.000 0.874 269 V CB 1.948 33.881 31.823 0.184 0.000 0.985 269 V HN 0.833 nan 8.190 nan 0.000 0.438 270 T N 3.820 118.423 114.554 0.082 0.000 2.807 270 T HA 0.812 5.165 4.350 0.006 0.000 0.279 270 T C -0.250 174.506 174.700 0.093 0.000 0.993 270 T CA -0.401 61.744 62.100 0.075 0.000 0.970 270 T CB 1.729 70.636 68.868 0.064 0.000 0.950 270 T HN 0.964 nan 8.240 nan 0.000 0.441 271 A N 2.753 125.645 122.820 0.119 0.000 2.435 271 A HA 0.813 5.137 4.320 0.006 0.000 0.304 271 A C -0.746 177.028 177.584 0.317 0.000 1.064 271 A CA -0.940 51.217 52.037 0.199 0.000 0.727 271 A CB 1.644 20.767 19.000 0.205 0.000 1.284 271 A HN 0.732 nan 8.150 nan 0.000 0.415 272 K N 0.998 121.563 120.400 0.275 0.000 2.207 272 K HA 0.539 4.863 4.320 0.006 0.000 0.255 272 K C 0.293 176.862 176.600 -0.052 0.000 0.941 272 K CA -0.323 56.066 56.287 0.171 0.000 0.825 272 K CB 1.492 34.030 32.500 0.063 0.000 1.119 272 K HN 0.797 nan 8.250 nan 0.000 0.430 273 S N 1.680 117.120 115.700 -0.434 0.000 2.559 273 S HA -0.044 4.429 4.470 0.006 0.000 0.282 273 S C 0.894 175.247 174.600 -0.410 0.000 1.336 273 S CA 0.202 57.855 58.200 -0.912 0.000 1.037 273 S CB 0.697 63.490 63.200 -0.679 0.000 0.853 273 S HN 0.727 nan 8.310 nan 0.000 0.523 274 T N 2.844 117.171 114.554 -0.378 0.000 2.985 274 T HA -0.006 4.347 4.350 0.006 0.000 0.266 274 T C 1.290 175.913 174.700 -0.128 0.000 1.076 274 T CA 1.475 63.467 62.100 -0.181 0.000 1.135 274 T CB -0.354 68.436 68.868 -0.129 0.000 0.890 274 T HN 0.882 nan 8.240 nan 0.000 0.480 275 N N -0.051 118.561 118.700 -0.147 0.000 2.325 275 N HA 0.114 4.857 4.740 0.006 0.000 0.220 275 N C 0.861 176.321 175.510 -0.083 0.000 1.176 275 N CA 0.086 53.081 53.050 -0.093 0.000 0.861 275 N CB 0.222 38.664 38.487 -0.075 0.000 1.230 275 N HN 0.299 nan 8.380 nan 0.000 0.479 276 S N -0.489 115.145 115.700 -0.111 0.000 2.618 276 S HA 0.455 4.929 4.470 0.006 0.000 0.284 276 S C 0.524 175.081 174.600 -0.072 0.000 1.102 276 S CA -0.335 57.819 58.200 -0.076 0.000 0.984 276 S CB 1.364 64.527 63.200 -0.062 0.000 1.280 276 S HN -0.056 nan 8.310 nan 0.000 0.525 277 E N 0.101 120.278 120.200 -0.039 0.000 2.511 277 E HA 0.301 4.655 4.350 0.006 0.000 0.209 277 E C 0.134 176.740 176.600 0.009 0.000 0.986 277 E CA -0.182 56.208 56.400 -0.016 0.000 0.974 277 E CB 0.016 29.715 29.700 -0.003 0.000 1.030 277 E HN 0.657 nan 8.360 nan 0.000 0.490 278 E N 0.139 120.349 120.200 0.016 0.000 2.467 278 E HA -0.008 4.346 4.350 0.006 0.000 0.264 278 E C -0.628 176.071 176.600 0.164 0.000 1.020 278 E CA 0.723 57.176 56.400 0.089 0.000 0.945 278 E CB 0.575 30.353 29.700 0.129 0.000 0.942 278 E HN -0.046 nan 8.360 nan 0.000 0.449 279 T N 3.577 118.240 114.554 0.181 0.000 2.861 279 T HA 0.546 4.900 4.350 0.006 0.000 0.287 279 T C -0.635 174.157 174.700 0.155 0.000 1.003 279 T CA -0.634 61.578 62.100 0.186 0.000 0.977 279 T CB 0.502 69.432 68.868 0.103 0.000 0.996 279 T HN 0.434 nan 8.240 nan 0.000 0.448 280 I N 0.222 120.862 120.570 0.118 0.000 2.730 280 I HA 0.767 4.940 4.170 0.006 0.000 0.298 280 I C -0.834 175.279 176.117 -0.007 0.000 1.089 280 I CA -1.024 60.267 61.300 -0.016 0.000 1.041 280 I CB 2.574 40.447 38.000 -0.213 0.000 1.235 280 I HN 0.441 nan 8.210 nan 0.000 0.423 281 E N 3.025 123.213 120.200 -0.021 0.000 2.234 281 E HA 0.545 4.899 4.350 0.006 0.000 0.266 281 E C -1.621 174.953 176.600 -0.043 0.000 0.877 281 E CA -0.683 55.712 56.400 -0.009 0.000 0.758 281 E CB 2.576 32.268 29.700 -0.013 0.000 1.170 281 E HN 0.574 nan 8.360 nan 0.000 0.415 282 D N 1.351 121.734 120.400 -0.028 0.000 2.570 282 D HA 0.157 4.801 4.640 0.006 0.000 0.244 282 D C -1.497 174.648 176.300 -0.259 0.000 1.178 282 D CA -0.574 53.315 54.000 -0.184 0.000 0.881 282 D CB 1.676 42.315 40.800 -0.269 0.000 1.453 282 D HN 0.473 nan 8.370 nan 0.000 0.447 283 E N 0.670 120.585 120.200 -0.474 0.000 2.207 283 E HA 0.636 4.989 4.350 0.006 0.000 0.270 283 E C -1.255 174.893 176.600 -0.754 0.000 0.927 283 E CA -0.592 55.563 56.400 -0.408 0.000 0.799 283 E CB 1.507 31.085 29.700 -0.203 0.000 1.172 283 E HN 0.230 nan 8.360 nan 0.000 0.404 284 F N 0.960 120.870 119.950 -0.066 0.000 2.629 284 F HA 0.345 4.875 4.527 0.006 0.000 0.316 284 F C 1.082 176.841 175.800 -0.068 0.000 1.081 284 F CA -1.017 56.943 58.000 -0.066 0.000 0.954 284 F CB 1.797 40.759 39.000 -0.063 0.000 1.337 284 F HN 0.419 nan 8.300 nan 0.000 0.474 285 N N -0.440 118.341 118.700 0.136 0.000 2.368 285 N HA 0.061 4.805 4.740 0.006 0.000 0.176 285 N C -0.248 175.296 175.510 0.058 0.000 1.021 285 N CA 0.908 53.986 53.050 0.046 0.000 0.888 285 N CB 0.360 38.850 38.487 0.004 0.000 0.995 285 N HN 0.466 nan 8.380 nan 0.000 0.437 286 T N 0.531 115.129 114.554 0.075 0.000 2.971 286 T HA 0.396 4.749 4.350 0.006 0.000 0.304 286 T C -0.840 173.836 174.700 -0.040 0.000 1.038 286 T CA -0.477 61.639 62.100 0.028 0.000 1.007 286 T CB 2.902 71.766 68.868 -0.006 0.000 1.055 286 T HN -0.353 nan 8.240 nan 0.000 0.451 287 V N 4.148 124.037 119.914 -0.043 0.000 2.357 287 V HA 0.514 4.638 4.120 0.006 0.000 0.284 287 V C -0.468 175.568 176.094 -0.096 0.000 1.018 287 V CA -0.805 61.421 62.300 -0.124 0.000 0.841 287 V CB 1.301 33.070 31.823 -0.090 0.000 0.991 287 V HN 0.717 nan 8.190 nan 0.000 0.437 288 L N 7.057 128.190 121.223 -0.149 0.000 2.282 288 L HA 0.582 4.925 4.340 0.006 0.000 0.288 288 L C -0.616 176.164 176.870 -0.150 0.000 1.033 288 L CA 0.169 54.924 54.840 -0.141 0.000 0.807 288 L CB 1.029 42.987 42.059 -0.169 0.000 1.209 288 L HN 0.521 nan 8.230 nan 0.000 0.423 289 L N 6.263 127.394 121.223 -0.154 0.000 2.265 289 L HA 0.663 5.006 4.340 0.006 0.000 0.289 289 L C 0.146 176.907 176.870 -0.181 0.000 1.033 289 L CA -0.480 54.255 54.840 -0.174 0.000 0.814 289 L CB 1.373 43.290 42.059 -0.236 0.000 1.203 289 L HN 0.850 nan 8.230 nan 0.000 0.423 290 A N 4.037 126.772 122.820 -0.141 0.000 3.105 290 A HA 0.497 4.821 4.320 0.006 0.000 0.336 290 A C 0.152 177.676 177.584 -0.100 0.000 1.042 290 A CA -0.338 51.623 52.037 -0.127 0.000 0.851 290 A CB 0.367 19.295 19.000 -0.119 0.000 1.068 290 A HN 0.531 nan 8.150 nan 0.000 0.477 291 V N -1.395 118.461 119.914 -0.097 0.000 2.854 291 V HA 0.698 4.821 4.120 0.006 0.000 0.366 291 V C 0.467 176.541 176.094 -0.033 0.000 1.322 291 V CA 0.054 62.322 62.300 -0.054 0.000 1.243 291 V CB -0.823 30.974 31.823 -0.044 0.000 1.337 291 V HN 1.974 nan 8.190 nan 0.000 0.585 292 G N 0.950 109.726 108.800 -0.039 0.000 2.603 292 G HA2 0.033 3.996 3.960 0.006 0.000 0.686 292 G HA3 0.033 3.996 3.960 0.006 0.000 0.686 292 G C -0.816 174.084 174.900 -0.000 0.000 1.286 292 G CA -0.664 44.432 45.100 -0.006 0.000 0.871 292 G HN 0.707 nan 8.290 nan 0.000 0.568 293 R N 0.090 120.610 120.500 0.033 0.000 2.725 293 R HA 0.585 4.929 4.340 0.006 0.000 0.277 293 R C -1.742 174.598 176.300 0.067 0.000 0.987 293 R CA -1.032 55.100 56.100 0.052 0.000 0.901 293 R CB 2.228 32.567 30.300 0.066 0.000 1.207 293 R HN 0.543 nan 8.270 nan 0.000 0.463 294 D N 0.851 121.299 120.400 0.079 0.000 2.192 294 D HA 0.228 4.872 4.640 0.006 0.000 0.246 294 D C -0.347 176.004 176.300 0.085 0.000 1.042 294 D CA -0.317 53.731 54.000 0.079 0.000 0.847 294 D CB 1.971 42.820 40.800 0.083 0.000 1.186 294 D HN 0.263 nan 8.370 nan 0.000 0.461 295 S N 0.779 116.523 115.700 0.074 0.000 2.549 295 S HA 0.025 4.498 4.470 0.006 0.000 0.286 295 S C 0.369 175.018 174.600 0.081 0.000 1.314 295 S CA -0.340 57.905 58.200 0.074 0.000 1.062 295 S CB 0.260 63.495 63.200 0.058 0.000 0.865 295 S HN 0.461 nan 8.310 nan 0.000 0.498 296 C N 3.823 123.177 119.300 0.089 0.000 2.615 296 C HA 0.307 4.770 4.460 0.006 0.000 0.503 296 C C 1.835 176.876 174.990 0.084 0.000 1.039 296 C CA -0.548 58.531 59.018 0.102 0.000 1.226 296 C CB -2.253 25.557 27.740 0.118 0.000 1.447 296 C HN 1.045 nan 8.230 nan 0.000 0.572 297 T N -2.771 111.828 114.554 0.075 0.000 3.041 297 T HA 0.084 4.438 4.350 0.006 0.000 0.276 297 T C 1.650 176.387 174.700 0.062 0.000 0.948 297 T CA -0.233 61.904 62.100 0.062 0.000 0.885 297 T CB -0.005 68.889 68.868 0.044 0.000 1.175 297 T HN 0.406 nan 8.240 nan 0.000 0.529 298 R N 2.333 122.874 120.500 0.069 0.000 2.119 298 R HA 0.094 4.437 4.340 0.006 0.000 0.222 298 R C 1.782 178.124 176.300 0.070 0.000 1.088 298 R CA 1.582 57.717 56.100 0.059 0.000 0.984 298 R CB -0.836 29.495 30.300 0.053 0.000 0.884 298 R HN 0.646 nan 8.270 nan 0.000 0.447 299 T N -1.806 112.811 114.554 0.105 0.000 3.266 299 T HA 0.286 4.639 4.350 0.006 0.000 0.278 299 T C 1.165 175.976 174.700 0.185 0.000 1.010 299 T CA -0.491 61.684 62.100 0.125 0.000 0.909 299 T CB -0.552 68.389 68.868 0.120 0.000 1.122 299 T HN 0.285 nan 8.240 nan 0.000 0.536 300 I N -2.662 117.989 120.570 0.135 0.000 3.927 300 I HA 0.651 4.824 4.170 0.006 0.000 0.332 300 I C 1.182 177.384 176.117 0.142 0.000 1.485 300 I CA -0.640 60.720 61.300 0.100 0.000 1.131 300 I CB -0.335 37.674 38.000 0.016 0.000 1.092 300 I HN 0.239 nan 8.210 nan 0.000 0.410 301 G N 2.190 111.067 108.800 0.128 0.000 2.225 301 G HA2 -0.249 3.715 3.960 0.006 0.000 0.264 301 G HA3 -0.249 3.715 3.960 0.006 0.000 0.264 301 G C 0.522 175.492 174.900 0.116 0.000 1.060 301 G CA 0.490 45.665 45.100 0.125 0.000 0.833 301 G HN 0.488 nan 8.290 nan 0.000 0.498 302 L N -0.752 120.510 121.223 0.065 0.000 2.201 302 L HA -0.049 4.295 4.340 0.006 0.000 0.212 302 L C 2.760 179.578 176.870 -0.087 0.000 1.105 302 L CA 1.838 56.652 54.840 -0.043 0.000 0.775 302 L CB -0.309 41.726 42.059 -0.041 0.000 0.913 302 L HN 0.421 nan 8.230 nan 0.000 0.440 303 E N -0.389 119.789 120.200 -0.037 0.000 2.130 303 E HA -0.231 4.122 4.350 0.006 0.000 0.196 303 E C 2.010 178.581 176.600 -0.048 0.000 0.998 303 E CA 1.821 58.197 56.400 -0.039 0.000 0.806 303 E CB -0.882 28.809 29.700 -0.014 0.000 0.738 303 E HN 0.486 nan 8.360 nan 0.000 0.459 304 T N -1.721 112.813 114.554 -0.033 0.000 3.118 304 T HA 0.005 4.359 4.350 0.006 0.000 0.260 304 T C 1.477 176.136 174.700 -0.069 0.000 1.139 304 T CA 0.833 62.920 62.100 -0.022 0.000 1.085 304 T CB -0.154 68.731 68.868 0.027 0.000 0.934 304 T HN 0.169 nan 8.240 nan 0.000 0.518 305 V N -3.783 116.026 119.914 -0.175 0.000 3.502 305 V HA 0.679 4.803 4.120 0.006 0.000 0.288 305 V C 1.639 177.586 176.094 -0.244 0.000 1.461 305 V CA -0.093 62.048 62.300 -0.264 0.000 1.029 305 V CB -0.563 30.896 31.823 -0.607 0.000 0.843 305 V HN 0.572 nan 8.190 nan 0.000 0.438 306 G N 1.055 109.741 108.800 -0.191 0.000 2.149 306 G HA2 -0.193 3.771 3.960 0.006 0.000 0.235 306 G HA3 -0.193 3.771 3.960 0.006 0.000 0.235 306 G C -0.002 174.785 174.900 -0.187 0.000 1.018 306 G CA 0.088 45.097 45.100 -0.152 0.000 0.728 306 G HN 0.755 nan 8.290 nan 0.000 0.508 307 V N 0.725 120.496 119.914 -0.238 0.000 2.508 307 V HA 0.271 4.395 4.120 0.006 0.000 0.281 307 V C 0.975 176.984 176.094 -0.143 0.000 1.041 307 V CA 0.025 62.188 62.300 -0.227 0.000 1.016 307 V CB 1.273 32.925 31.823 -0.284 0.000 0.984 307 V HN 0.338 nan 8.190 nan 0.000 0.478 308 K N 5.708 126.036 120.400 -0.121 0.000 2.234 308 K HA 0.586 4.910 4.320 0.006 0.000 0.282 308 K C -0.323 176.236 176.600 -0.070 0.000 1.039 308 K CA -0.233 56.004 56.287 -0.083 0.000 0.928 308 K CB 1.170 33.626 32.500 -0.074 0.000 1.039 308 K HN 0.731 nan 8.250 nan 0.000 0.470 309 I N -0.881 119.660 120.570 -0.049 0.000 2.846 309 I HA 0.361 4.535 4.170 0.006 0.000 0.307 309 I C -0.257 175.845 176.117 -0.026 0.000 1.053 309 I CA -1.112 60.167 61.300 -0.035 0.000 1.050 309 I CB 1.751 39.738 38.000 -0.021 0.000 1.239 309 I HN 0.385 nan 8.210 nan 0.000 0.439 310 N N 3.614 122.302 118.700 -0.020 0.000 2.427 310 N HA -0.020 4.724 4.740 0.006 0.000 0.269 310 N C 0.731 176.237 175.510 -0.006 0.000 1.235 310 N CA 0.322 53.364 53.050 -0.014 0.000 0.934 310 N CB 0.783 39.262 38.487 -0.012 0.000 1.121 310 N HN 0.665 nan 8.380 nan 0.000 0.480 311 E N 3.680 123.876 120.200 -0.006 0.000 2.051 311 E HA -0.199 4.155 4.350 0.006 0.000 0.192 311 E C 1.354 177.958 176.600 0.005 0.000 0.991 311 E CA 1.046 57.446 56.400 -0.001 0.000 0.799 311 E CB 0.028 29.727 29.700 -0.003 0.000 0.748 311 E HN 0.654 nan 8.360 nan 0.000 0.449 312 K N 0.316 120.719 120.400 0.005 0.000 2.002 312 K HA -0.116 4.208 4.320 0.006 0.000 0.209 312 K C 2.197 178.806 176.600 0.015 0.000 1.048 312 K CA 2.004 58.297 56.287 0.009 0.000 0.930 312 K CB -0.142 32.362 32.500 0.007 0.000 0.714 312 K HN 0.260 nan 8.250 nan 0.000 0.438 313 T N -3.595 110.966 114.554 0.013 0.000 3.014 313 T HA 0.122 4.476 4.350 0.006 0.000 0.263 313 T C 1.485 176.198 174.700 0.023 0.000 1.078 313 T CA 1.112 63.222 62.100 0.018 0.000 1.135 313 T CB 0.118 68.994 68.868 0.014 0.000 0.895 313 T HN 0.449 nan 8.240 nan 0.000 0.480 314 G N 1.525 110.336 108.800 0.018 0.000 2.199 314 G HA2 -0.227 3.737 3.960 0.006 0.000 0.254 314 G HA3 -0.227 3.737 3.960 0.006 0.000 0.254 314 G C 0.185 175.096 174.900 0.019 0.000 0.982 314 G CA 0.160 45.274 45.100 0.023 0.000 0.632 314 G HN 0.638 nan 8.290 nan 0.000 0.529 315 K N 0.364 120.772 120.400 0.013 0.000 2.219 315 K HA 0.527 4.851 4.320 0.006 0.000 0.258 315 K C 0.581 177.177 176.600 -0.007 0.000 1.008 315 K CA -0.260 56.032 56.287 0.007 0.000 0.928 315 K CB 0.986 33.487 32.500 0.001 0.000 0.983 315 K HN 0.344 nan 8.250 nan 0.000 0.484 316 I N 3.568 124.131 120.570 -0.012 0.000 2.330 316 I HA 0.177 4.351 4.170 0.006 0.000 0.289 316 I C -2.166 173.926 176.117 -0.041 0.000 1.001 316 I CA -2.449 58.835 61.300 -0.028 0.000 1.193 316 I CB 1.490 39.475 38.000 -0.024 0.000 1.345 316 I HN 0.159 nan 8.210 nan 0.000 0.461 317 P HA 0.166 nan 4.420 nan 0.000 0.269 317 P C -0.743 176.517 177.300 -0.066 0.000 1.209 317 P CA -0.073 62.992 63.100 -0.058 0.000 0.776 317 P CB 1.100 32.766 31.700 -0.056 0.000 0.876 318 V N 1.545 121.419 119.914 -0.066 0.000 2.969 318 V HA 0.336 4.460 4.120 0.006 0.000 0.304 318 V C 0.111 176.176 176.094 -0.049 0.000 1.192 318 V CA -0.488 61.776 62.300 -0.060 0.000 0.962 318 V CB 2.410 34.209 31.823 -0.041 0.000 1.045 318 V HN 0.745 nan 8.190 nan 0.000 0.428 319 T N 0.483 115.015 114.554 -0.037 0.000 2.748 319 T HA 0.088 4.442 4.350 0.006 0.000 0.304 319 T C 1.024 175.731 174.700 0.012 0.000 1.041 319 T CA 0.443 62.534 62.100 -0.015 0.000 1.033 319 T CB 0.461 69.325 68.868 -0.008 0.000 0.995 319 T HN 0.871 nan 8.240 nan 0.000 0.536 320 D N -0.552 119.862 120.400 0.023 0.000 2.403 320 D HA -0.122 4.522 4.640 0.006 0.000 0.227 320 D C 0.969 177.326 176.300 0.094 0.000 0.995 320 D CA 0.790 54.824 54.000 0.057 0.000 0.928 320 D CB -0.266 40.565 40.800 0.053 0.000 0.887 320 D HN 0.859 nan 8.370 nan 0.000 0.529 321 E N -0.279 119.975 120.200 0.090 0.000 2.501 321 E HA 0.088 4.441 4.350 0.006 0.000 0.200 321 E C -0.391 176.320 176.600 0.186 0.000 1.016 321 E CA -0.188 56.283 56.400 0.119 0.000 0.921 321 E CB 0.341 30.111 29.700 0.117 0.000 1.034 321 E HN 0.050 nan 8.360 nan 0.000 0.468 322 E N 0.395 120.690 120.200 0.159 0.000 3.413 322 E HA -0.224 4.130 4.350 0.006 0.000 0.300 322 E C -0.179 176.564 176.600 0.237 0.000 0.891 322 E CA 0.584 57.098 56.400 0.189 0.000 1.050 322 E CB -1.148 28.676 29.700 0.206 0.000 1.534 322 E HN 0.253 nan 8.360 nan 0.000 0.436 323 Q N 0.928 120.783 119.800 0.091 0.000 2.267 323 Q HA 0.338 4.682 4.340 0.006 0.000 0.255 323 Q C 0.558 176.408 176.000 -0.250 0.000 0.923 323 Q CA 0.323 55.942 55.803 -0.306 0.000 0.925 323 Q CB 0.832 29.405 28.738 -0.275 0.000 1.195 323 Q HN 0.299 nan 8.270 nan 0.000 0.417 324 T N 0.143 114.493 114.554 -0.340 0.000 2.729 324 T HA 0.061 4.414 4.350 0.006 0.000 0.298 324 T C 1.290 175.849 174.700 -0.235 0.000 1.013 324 T CA -0.052 61.902 62.100 -0.243 0.000 0.957 324 T CB 0.315 69.027 68.868 -0.260 0.000 1.130 324 T HN 0.802 nan 8.240 nan 0.000 0.526 325 N N -0.239 118.347 118.700 -0.190 0.000 2.309 325 N HA -0.081 4.663 4.740 0.006 0.000 0.182 325 N C 0.403 175.803 175.510 -0.184 0.000 1.018 325 N CA 0.493 53.449 53.050 -0.157 0.000 0.876 325 N CB -0.876 37.537 38.487 -0.123 0.000 0.972 325 N HN 0.409 nan 8.380 nan 0.000 0.434 326 V N 3.152 122.907 119.914 -0.264 0.000 2.405 326 V HA 0.132 4.256 4.120 0.006 0.000 0.264 326 V C -1.290 174.586 176.094 -0.364 0.000 1.048 326 V CA -1.118 60.992 62.300 -0.317 0.000 0.966 326 V CB 1.234 32.764 31.823 -0.488 0.000 1.015 326 V HN 0.030 nan 8.190 nan 0.000 0.477 327 P HA -0.175 nan 4.420 nan 0.000 0.217 327 P C 0.999 178.231 177.300 -0.114 0.000 1.148 327 P CA 1.524 64.552 63.100 -0.121 0.000 0.828 327 P CB -0.024 31.702 31.700 0.043 0.000 0.783 328 Y N -2.701 117.534 120.300 -0.108 0.000 2.457 328 Y HA 0.450 5.003 4.550 0.006 0.000 0.263 328 Y C 0.378 176.300 175.900 0.037 0.000 1.164 328 Y CA -0.826 57.285 58.100 0.018 0.000 1.274 328 Y CB -0.612 37.880 38.460 0.052 0.000 1.097 328 Y HN -0.200 nan 8.280 nan 0.000 0.523 329 I N 1.425 121.693 120.570 -0.504 0.000 2.389 329 I HA 0.320 4.493 4.170 0.006 0.000 0.288 329 I C -1.252 174.621 176.117 -0.406 0.000 0.999 329 I CA -0.897 60.200 61.300 -0.337 0.000 1.129 329 I CB 1.194 38.848 38.000 -0.577 0.000 1.288 329 I HN -0.035 nan 8.210 nan 0.000 0.444 330 Y N 4.140 124.439 120.300 -0.001 0.000 2.549 330 Y HA 0.813 5.366 4.550 0.006 0.000 0.339 330 Y C 0.237 176.151 175.900 0.024 0.000 1.053 330 Y CA -0.803 57.299 58.100 0.004 0.000 1.105 330 Y CB 2.092 40.564 38.460 0.020 0.000 1.258 330 Y HN 0.558 nan 8.280 nan 0.000 0.478 331 A N 2.349 125.270 122.820 0.168 0.000 2.475 331 A HA 0.868 5.192 4.320 0.006 0.000 0.301 331 A C -1.834 175.818 177.584 0.113 0.000 1.059 331 A CA -0.589 51.514 52.037 0.110 0.000 0.710 331 A CB 1.371 20.400 19.000 0.049 0.000 1.288 331 A HN 0.497 nan 8.150 nan 0.000 0.408 332 I N 0.323 120.951 120.570 0.097 0.000 2.894 332 I HA 0.732 4.906 4.170 0.006 0.000 0.302 332 I C 0.855 177.023 176.117 0.085 0.000 1.188 332 I CA 0.778 62.137 61.300 0.099 0.000 1.014 332 I CB 1.331 39.384 38.000 0.088 0.000 1.242 332 I HN 1.700 nan 8.210 nan 0.000 0.430 333 G N 5.192 114.051 108.800 0.099 0.000 2.525 333 G HA2 -0.244 3.720 3.960 0.006 0.000 0.248 333 G HA3 -0.244 3.720 3.960 0.006 0.000 0.248 333 G C 0.410 175.360 174.900 0.083 0.000 1.238 333 G CA 0.433 45.587 45.100 0.090 0.000 0.926 333 G HN 0.507 nan 8.290 nan 0.000 0.574 334 D N 0.623 121.070 120.400 0.079 0.000 2.218 334 D HA -0.084 4.560 4.640 0.006 0.000 0.204 334 D C 2.486 178.825 176.300 0.066 0.000 0.976 334 D CA 1.515 55.563 54.000 0.081 0.000 0.853 334 D CB -0.245 40.611 40.800 0.093 0.000 0.939 334 D HN 0.703 nan 8.370 nan 0.000 0.481 335 I N -2.077 118.528 120.570 0.058 0.000 3.111 335 I HA -0.001 4.173 4.170 0.006 0.000 0.272 335 I C 0.396 176.528 176.117 0.025 0.000 1.268 335 I CA 0.084 61.411 61.300 0.045 0.000 1.467 335 I CB -0.311 37.716 38.000 0.046 0.000 1.087 335 I HN -0.188 nan 8.210 nan 0.000 0.467 336 L N 2.740 123.974 121.223 0.018 0.000 2.416 336 L HA 0.156 4.500 4.340 0.006 0.000 0.272 336 L C 0.706 177.555 176.870 -0.035 0.000 1.161 336 L CA 0.277 55.107 54.840 -0.016 0.000 0.845 336 L CB 0.473 42.511 42.059 -0.035 0.000 1.119 336 L HN 0.299 nan 8.230 nan 0.000 0.464 337 E N 2.067 122.239 120.200 -0.048 0.000 2.360 337 E HA 0.145 4.498 4.350 0.006 0.000 0.269 337 E C 0.961 177.514 176.600 -0.079 0.000 1.022 337 E CA 0.626 56.996 56.400 -0.049 0.000 0.887 337 E CB 0.666 30.339 29.700 -0.045 0.000 0.990 337 E HN 0.807 nan 8.360 nan 0.000 0.426 338 G N 3.550 112.312 108.800 -0.064 0.000 2.166 338 G HA2 -0.257 3.707 3.960 0.006 0.000 0.260 338 G HA3 -0.257 3.707 3.960 0.006 0.000 0.260 338 G C 0.296 175.123 174.900 -0.122 0.000 0.986 338 G CA 0.703 45.755 45.100 -0.080 0.000 0.683 338 G HN 0.438 nan 8.290 nan 0.000 0.527 339 K N -0.963 119.360 120.400 -0.128 0.000 2.443 339 K HA 0.843 5.166 4.320 0.006 0.000 0.284 339 K C 0.735 177.318 176.600 -0.028 0.000 0.992 339 K CA -0.529 55.660 56.287 -0.165 0.000 1.292 339 K CB 0.003 32.347 32.500 -0.260 0.000 1.705 339 K HN 0.251 nan 8.250 nan 0.000 0.778 340 L N 0.917 122.170 121.223 0.051 0.000 2.354 340 L HA 0.374 4.717 4.340 0.006 0.000 0.264 340 L C -0.272 176.651 176.870 0.088 0.000 1.008 340 L CA -0.488 54.394 54.840 0.069 0.000 0.819 340 L CB 1.971 44.085 42.059 0.091 0.000 1.339 340 L HN 0.413 nan 8.230 nan 0.000 0.420 341 E N 3.735 123.984 120.200 0.082 0.000 2.731 341 E HA 0.477 4.831 4.350 0.006 0.000 0.220 341 E C -1.267 175.391 176.600 0.097 0.000 1.087 341 E CA -0.124 56.340 56.400 0.107 0.000 1.020 341 E CB 0.648 30.435 29.700 0.145 0.000 1.339 341 E HN 0.352 nan 8.360 nan 0.000 0.444 342 L N 0.347 121.615 121.223 0.076 0.000 2.401 342 L HA 0.298 4.642 4.340 0.006 0.000 0.266 342 L C 1.320 178.221 176.870 0.052 0.000 0.991 342 L CA -0.617 54.253 54.840 0.051 0.000 0.818 342 L CB 2.094 44.165 42.059 0.019 0.000 1.321 342 L HN 0.151 nan 8.230 nan 0.000 0.413 343 T N 1.216 115.798 114.554 0.047 0.000 2.635 343 T HA -0.090 4.264 4.350 0.006 0.000 0.267 343 T C -1.123 173.590 174.700 0.022 0.000 1.040 343 T CA 1.856 63.977 62.100 0.035 0.000 1.156 343 T CB -0.614 68.272 68.868 0.030 0.000 0.863 343 T HN 0.490 nan 8.240 nan 0.000 0.430 344 P HA 0.084 nan 4.420 nan 0.000 0.223 344 P C 1.487 178.774 177.300 -0.021 0.000 1.151 344 P CA 0.324 63.422 63.100 -0.004 0.000 0.787 344 P CB -0.143 31.550 31.700 -0.010 0.000 0.788 345 V N 0.711 120.618 119.914 -0.011 0.000 2.244 345 V HA -0.247 3.876 4.120 0.006 0.000 0.244 345 V C 2.543 178.642 176.094 0.009 0.000 1.042 345 V CA 2.347 64.634 62.300 -0.023 0.000 1.006 345 V CB -1.686 30.164 31.823 0.045 0.000 0.641 345 V HN 0.098 nan 8.190 nan 0.000 0.446 346 A N -0.145 122.703 122.820 0.047 0.000 1.917 346 A HA -0.240 4.083 4.320 0.006 0.000 0.219 346 A C 2.176 179.775 177.584 0.024 0.000 1.182 346 A CA 2.290 54.359 52.037 0.052 0.000 0.633 346 A CB -0.652 18.379 19.000 0.051 0.000 0.819 346 A HN 0.529 nan 8.150 nan 0.000 0.448 347 I N -1.088 119.487 120.570 0.009 0.000 2.179 347 I HA -0.298 3.876 4.170 0.006 0.000 0.242 347 I C 2.804 178.916 176.117 -0.008 0.000 1.088 347 I CA 1.911 63.212 61.300 0.003 0.000 1.357 347 I CB -0.354 37.649 38.000 0.004 0.000 1.051 347 I HN 0.481 nan 8.210 nan 0.000 0.409 348 Q N 1.231 121.013 119.800 -0.030 0.000 2.050 348 Q HA -0.207 4.137 4.340 0.006 0.000 0.202 348 Q C 2.186 178.156 176.000 -0.050 0.000 0.980 348 Q CA 2.339 58.109 55.803 -0.055 0.000 0.840 348 Q CB -0.291 28.385 28.738 -0.102 0.000 0.898 348 Q HN 0.482 nan 8.270 nan 0.000 0.424 349 A N 0.032 122.826 122.820 -0.042 0.000 1.873 349 A HA -0.147 4.176 4.320 0.006 0.000 0.218 349 A C 2.334 179.928 177.584 0.016 0.000 1.193 349 A CA 1.921 53.960 52.037 0.004 0.000 0.629 349 A CB -1.642 17.411 19.000 0.088 0.000 0.826 349 A HN 0.600 nan 8.150 nan 0.000 0.447 350 G N -0.979 107.833 108.800 0.020 0.000 2.418 350 G HA2 -0.241 3.723 3.960 0.006 0.000 0.217 350 G HA3 -0.241 3.723 3.960 0.006 0.000 0.217 350 G C 1.757 176.667 174.900 0.016 0.000 1.158 350 G CA 1.063 46.175 45.100 0.020 0.000 0.771 350 G HN 0.576 nan 8.290 nan 0.000 0.545 351 R N -0.046 120.463 120.500 0.015 0.000 2.066 351 R HA 0.090 4.434 4.340 0.006 0.000 0.232 351 R C 2.552 178.868 176.300 0.027 0.000 1.131 351 R CA 1.011 57.128 56.100 0.028 0.000 0.955 351 R CB -0.376 29.935 30.300 0.018 0.000 0.851 351 R HN 0.380 nan 8.270 nan 0.000 0.432 352 L N 0.892 122.115 121.223 -0.000 0.000 2.141 352 L HA -0.170 4.174 4.340 0.006 0.000 0.209 352 L C 2.477 179.325 176.870 -0.037 0.000 1.094 352 L CA 0.440 55.272 54.840 -0.013 0.000 0.763 352 L CB -0.401 41.641 42.059 -0.028 0.000 0.908 352 L HN 0.278 nan 8.230 nan 0.000 0.437 353 L N 0.342 121.535 121.223 -0.049 0.000 2.017 353 L HA -0.138 4.206 4.340 0.006 0.000 0.208 353 L C 2.649 179.415 176.870 -0.175 0.000 1.073 353 L CA 2.006 56.772 54.840 -0.125 0.000 0.745 353 L CB -0.649 41.333 42.059 -0.129 0.000 0.894 353 L HN 0.128 nan 8.230 nan 0.000 0.432 354 A N -1.211 121.573 122.820 -0.061 0.000 1.933 354 A HA -0.212 4.111 4.320 0.006 0.000 0.218 354 A C 2.172 179.748 177.584 -0.012 0.000 1.175 354 A CA 1.557 53.611 52.037 0.027 0.000 0.628 354 A CB -0.523 18.600 19.000 0.205 0.000 0.814 354 A HN 0.598 nan 8.150 nan 0.000 0.444 355 Q N -0.231 119.577 119.800 0.014 0.000 2.020 355 Q HA -0.146 4.198 4.340 0.006 0.000 0.202 355 Q C 2.270 178.174 176.000 -0.161 0.000 0.982 355 Q CA 1.665 57.461 55.803 -0.012 0.000 0.838 355 Q CB -0.455 28.307 28.738 0.040 0.000 0.899 355 Q HN 0.705 nan 8.270 nan 0.000 0.423 356 R N 0.088 120.492 120.500 -0.160 0.000 2.083 356 R HA -0.100 4.244 4.340 0.006 0.000 0.237 356 R C 2.516 178.635 176.300 -0.301 0.000 1.137 356 R CA 1.174 57.161 56.100 -0.189 0.000 0.951 356 R CB -0.369 29.840 30.300 -0.151 0.000 0.851 356 R HN 0.214 nan 8.270 nan 0.000 0.434 357 L N -1.308 119.627 121.223 -0.480 0.000 2.027 357 L HA -0.161 4.182 4.340 0.006 0.000 0.206 357 L C 1.478 177.863 176.870 -0.807 0.000 1.074 357 L CA 1.345 55.724 54.840 -0.769 0.000 0.745 357 L CB -0.188 41.111 42.059 -1.267 0.000 0.898 357 L HN 0.243 nan 8.230 nan 0.000 0.433 358 Y N -1.902 118.160 120.300 -0.396 0.000 2.453 358 Y HA 0.295 4.849 4.550 0.006 0.000 0.247 358 Y C 1.927 177.183 175.900 -1.073 0.000 1.124 358 Y CA 0.009 57.738 58.100 -0.619 0.000 1.243 358 Y CB 0.058 38.163 38.460 -0.591 0.000 1.213 358 Y HN -0.038 nan 8.280 nan 0.000 0.523 359 G N -0.879 107.422 108.800 -0.832 0.000 3.324 359 G HA2 0.366 4.330 3.960 0.006 0.000 0.251 359 G HA3 0.366 4.330 3.960 0.006 0.000 0.251 359 G C 1.247 176.031 174.900 -0.193 0.000 1.072 359 G CA 0.044 44.779 45.100 -0.609 0.000 0.787 359 G HN 0.410 nan 8.290 nan 0.000 0.537 360 G N 0.233 108.921 108.800 -0.186 0.000 2.283 360 G HA2 -0.237 3.727 3.960 0.006 0.000 0.280 360 G HA3 -0.237 3.727 3.960 0.006 0.000 0.280 360 G C 0.460 175.323 174.900 -0.062 0.000 1.029 360 G CA 0.739 45.781 45.100 -0.097 0.000 0.840 360 G HN 0.949 nan 8.290 nan 0.000 0.505 361 S N -1.259 114.398 115.700 -0.071 0.000 2.632 361 S HA 0.702 5.176 4.470 0.006 0.000 0.271 361 S C 1.510 176.085 174.600 -0.042 0.000 1.260 361 S CA 0.786 58.963 58.200 -0.038 0.000 1.010 361 S CB 1.100 64.286 63.200 -0.023 0.000 0.965 361 S HN 1.074 nan 8.310 nan 0.000 0.534 362 T N -0.226 114.313 114.554 -0.025 0.000 3.043 362 T HA 0.262 4.616 4.350 0.006 0.000 0.272 362 T C -0.055 174.636 174.700 -0.015 0.000 0.990 362 T CA -0.233 61.854 62.100 -0.021 0.000 0.897 362 T CB -0.270 68.590 68.868 -0.013 0.000 1.111 362 T HN 0.313 nan 8.240 nan 0.000 0.529 363 V N 2.734 122.638 119.914 -0.016 0.000 2.446 363 V HA 0.256 4.380 4.120 0.006 0.000 0.276 363 V C 0.464 176.549 176.094 -0.015 0.000 1.030 363 V CA -0.316 61.975 62.300 -0.015 0.000 1.033 363 V CB -0.109 31.704 31.823 -0.016 0.000 0.993 363 V HN 0.376 nan 8.190 nan 0.000 0.477 364 K N 2.991 123.387 120.400 -0.007 0.000 2.098 364 K HA 0.447 4.771 4.320 0.006 0.000 0.244 364 K C -0.126 176.462 176.600 -0.021 0.000 1.014 364 K CA -0.475 55.815 56.287 0.006 0.000 0.917 364 K CB 1.052 33.571 32.500 0.032 0.000 1.072 364 K HN 0.745 nan 8.250 nan 0.000 0.477 365 C N 1.757 121.043 119.300 -0.024 0.000 2.285 365 C HA 0.226 4.690 4.460 0.006 0.000 0.335 365 C C -0.485 174.368 174.990 -0.229 0.000 1.267 365 C CA -0.646 58.273 59.018 -0.166 0.000 1.762 365 C CB -0.402 27.194 27.740 -0.239 0.000 2.365 365 C HN 0.642 nan 8.230 nan 0.000 0.527 366 D N 3.850 124.113 120.400 -0.228 0.000 2.339 366 D HA 0.190 4.833 4.640 0.006 0.000 0.241 366 D C -0.069 176.102 176.300 -0.214 0.000 1.183 366 D CA 0.040 53.962 54.000 -0.130 0.000 0.859 366 D CB 0.402 41.156 40.800 -0.077 0.000 1.067 366 D HN 0.718 nan 8.370 nan 0.000 0.484 367 Y N 1.261 121.555 120.300 -0.011 0.000 2.468 367 Y HA 0.136 4.690 4.550 0.006 0.000 0.268 367 Y C 0.298 176.188 175.900 -0.017 0.000 1.177 367 Y CA -0.465 57.627 58.100 -0.014 0.000 1.265 367 Y CB 0.448 38.902 38.460 -0.010 0.000 1.103 367 Y HN 0.202 nan 8.280 nan 0.000 0.522 368 D N 0.573 121.029 120.400 0.093 0.000 2.255 368 D HA 0.081 4.725 4.640 0.006 0.000 0.249 368 D C 0.103 176.414 176.300 0.018 0.000 1.078 368 D CA -0.039 53.994 54.000 0.055 0.000 0.896 368 D CB 0.394 41.221 40.800 0.046 0.000 1.194 368 D HN 0.100 nan 8.370 nan 0.000 0.429 369 N N 0.210 118.917 118.700 0.013 0.000 2.725 369 N HA -0.158 4.586 4.740 0.006 0.000 0.251 369 N C -0.836 174.653 175.510 -0.035 0.000 1.031 369 N CA 0.295 53.338 53.050 -0.011 0.000 0.720 369 N CB -1.160 37.318 38.487 -0.014 0.000 0.930 369 N HN 0.136 nan 8.380 nan 0.000 0.543 370 V N 1.848 121.745 119.914 -0.029 0.000 2.432 370 V HA 0.250 4.374 4.120 0.006 0.000 0.271 370 V C -1.299 174.760 176.094 -0.058 0.000 1.046 370 V CA -1.053 61.221 62.300 -0.044 0.000 0.945 370 V CB 1.238 33.046 31.823 -0.024 0.000 0.992 370 V HN 0.128 nan 8.190 nan 0.000 0.471 371 P HA 0.267 nan 4.420 nan 0.000 0.275 371 P C -0.339 176.915 177.300 -0.076 0.000 1.228 371 P CA 0.079 63.129 63.100 -0.083 0.000 0.786 371 P CB 1.110 32.754 31.700 -0.094 0.000 0.927 372 T N -0.915 113.583 114.554 -0.093 0.000 2.901 372 T HA 0.657 5.010 4.350 0.006 0.000 0.293 372 T C -0.893 173.706 174.700 -0.168 0.000 1.084 372 T CA -0.513 61.530 62.100 -0.095 0.000 1.008 372 T CB 1.449 70.283 68.868 -0.058 0.000 1.170 372 T HN 0.284 nan 8.240 nan 0.000 0.509 373 T N 1.601 116.018 114.554 -0.227 0.000 2.991 373 T HA 0.526 4.880 4.350 0.006 0.000 0.303 373 T C -0.899 173.459 174.700 -0.571 0.000 1.015 373 T CA -0.562 61.264 62.100 -0.456 0.000 1.007 373 T CB 1.521 70.021 68.868 -0.614 0.000 1.034 373 T HN 0.685 nan 8.240 nan 0.000 0.446 374 V N 4.052 123.685 119.914 -0.469 0.000 2.364 374 V HA 0.328 4.452 4.120 0.006 0.000 0.272 374 V C -0.171 175.696 176.094 -0.378 0.000 1.036 374 V CA -0.548 61.583 62.300 -0.282 0.000 0.880 374 V CB 0.255 32.006 31.823 -0.120 0.000 0.991 374 V HN 0.899 nan 8.190 nan 0.000 0.460 375 F N 3.095 123.022 119.950 -0.039 0.000 2.859 375 F HA 0.124 4.654 4.527 0.005 0.000 0.315 375 F C 1.669 177.332 175.800 -0.229 0.000 1.207 375 F CA -0.447 57.399 58.000 -0.258 0.000 1.370 375 F CB -0.717 38.020 39.000 -0.437 0.000 1.314 375 F HN 0.552 nan 8.300 nan 0.000 0.555 376 T N -2.377 112.213 114.554 0.059 0.000 2.802 376 T HA 0.059 4.412 4.350 0.006 0.000 0.305 376 T C -1.487 173.342 174.700 0.215 0.000 1.053 376 T CA -1.459 60.728 62.100 0.145 0.000 1.058 376 T CB 0.805 69.750 68.868 0.128 0.000 0.988 376 T HN -0.040 nan 8.240 nan 0.000 0.539 377 P HA -0.043 nan 4.420 nan 0.000 0.216 377 P C 0.368 177.824 177.300 0.259 0.000 1.154 377 P CA 0.657 63.960 63.100 0.338 0.000 0.865 377 P CB -0.024 31.861 31.700 0.310 0.000 0.789 378 L N 0.147 121.407 121.223 0.061 0.000 2.257 378 L HA 0.222 4.566 4.340 0.006 0.000 0.290 378 L C 0.111 177.027 176.870 0.077 0.000 1.044 378 L CA -0.495 54.312 54.840 -0.056 0.000 0.810 378 L CB 0.226 41.955 42.059 -0.550 0.000 1.193 378 L HN -0.124 nan 8.230 nan 0.000 0.425 379 E N 3.437 123.734 120.200 0.162 0.000 2.374 379 E HA 0.141 4.494 4.350 0.006 0.000 0.260 379 E C -1.545 175.145 176.600 0.150 0.000 1.101 379 E CA -0.159 56.308 56.400 0.111 0.000 0.907 379 E CB 0.968 30.738 29.700 0.117 0.000 1.014 379 E HN 0.505 nan 8.360 nan 0.000 0.427 380 Y N 0.407 120.657 120.300 -0.083 0.000 2.326 380 Y HA 0.510 5.063 4.550 0.006 0.000 0.329 380 Y C -0.560 175.313 175.900 -0.045 0.000 0.973 380 Y CA -0.973 57.112 58.100 -0.025 0.000 1.162 380 Y CB 1.394 39.833 38.460 -0.034 0.000 1.147 380 Y HN 0.489 nan 8.280 nan 0.000 0.456 381 G N 3.778 112.433 108.800 -0.243 0.000 2.452 381 G HA2 0.641 4.605 3.960 0.006 0.000 0.324 381 G HA3 0.641 4.605 3.960 0.006 0.000 0.324 381 G C -1.184 173.503 174.900 -0.355 0.000 1.214 381 G CA -0.363 44.556 45.100 -0.301 0.000 0.947 381 G HN 1.204 nan 8.290 nan 0.000 0.478 382 C N -0.930 118.176 119.300 -0.323 0.000 3.321 382 C HA 0.888 5.352 4.460 0.006 0.000 0.329 382 C C -0.811 174.106 174.990 -0.120 0.000 1.394 382 C CA -1.311 57.575 59.018 -0.219 0.000 1.291 382 C CB 1.308 28.846 27.740 -0.338 0.000 1.606 382 C HN 1.283 nan 8.230 nan 0.000 0.463 383 C N 1.386 120.614 119.300 -0.121 0.000 3.146 383 C HA 0.794 5.258 4.460 0.006 0.000 0.405 383 C C 0.559 175.511 174.990 -0.064 0.000 1.012 383 C CA 1.925 60.894 59.018 -0.082 0.000 1.217 383 C CB 0.718 28.398 27.740 -0.099 0.000 1.599 383 C HN 3.163 nan 8.230 nan 0.000 0.567 384 G N 4.139 112.921 108.800 -0.030 0.000 2.527 384 G HA2 -0.085 3.878 3.960 0.006 0.000 0.227 384 G HA3 -0.085 3.878 3.960 0.006 0.000 0.227 384 G C -0.949 173.987 174.900 0.061 0.000 1.291 384 G CA -0.157 44.958 45.100 0.025 0.000 0.904 384 G HN 1.158 nan 8.290 nan 0.000 0.577 385 L N 1.243 122.545 121.223 0.131 0.000 2.399 385 L HA 0.556 4.900 4.340 0.006 0.000 0.266 385 L C 1.540 178.587 176.870 0.296 0.000 1.114 385 L CA -0.130 54.813 54.840 0.172 0.000 0.804 385 L CB 1.528 43.696 42.059 0.181 0.000 1.146 385 L HN 0.983 nan 8.230 nan 0.000 0.451 386 S N -0.117 115.742 115.700 0.267 0.000 2.600 386 S HA 0.045 4.519 4.470 0.006 0.000 0.265 386 S C 0.864 175.559 174.600 0.157 0.000 1.325 386 S CA -0.435 57.926 58.200 0.268 0.000 1.002 386 S CB 1.248 64.557 63.200 0.181 0.000 0.921 386 S HN 0.775 nan 8.310 nan 0.000 0.554 387 E N 1.151 121.382 120.200 0.052 0.000 2.038 387 E HA -0.248 4.106 4.350 0.006 0.000 0.195 387 E C 2.039 178.672 176.600 0.056 0.000 1.000 387 E CA 1.675 58.102 56.400 0.044 0.000 0.803 387 E CB -0.230 29.461 29.700 -0.016 0.000 0.750 387 E HN 0.851 nan 8.360 nan 0.000 0.448 388 E N 0.548 120.772 120.200 0.041 0.000 2.118 388 E HA -0.235 4.118 4.350 0.006 0.000 0.195 388 E C 1.867 178.494 176.600 0.044 0.000 0.992 388 E CA 0.956 57.378 56.400 0.037 0.000 0.804 388 E CB -0.263 29.455 29.700 0.029 0.000 0.741 388 E HN 0.084 nan 8.360 nan 0.000 0.458 389 K N 0.962 121.396 120.400 0.057 0.000 2.148 389 K HA 0.096 4.420 4.320 0.006 0.000 0.204 389 K C 2.140 178.775 176.600 0.059 0.000 1.050 389 K CA 1.249 57.563 56.287 0.046 0.000 0.942 389 K CB -0.599 31.931 32.500 0.050 0.000 0.724 389 K HN 0.269 nan 8.250 nan 0.000 0.446 390 A N 0.714 123.609 122.820 0.125 0.000 1.930 390 A HA -0.090 4.233 4.320 0.006 0.000 0.217 390 A C 2.441 180.148 177.584 0.204 0.000 1.175 390 A CA 1.352 53.526 52.037 0.228 0.000 0.627 390 A CB -0.542 18.610 19.000 0.253 0.000 0.815 390 A HN 0.040 nan 8.150 nan 0.000 0.443 391 V N -0.005 119.979 119.914 0.118 0.000 2.295 391 V HA -0.267 3.857 4.120 0.006 0.000 0.246 391 V C 2.517 178.638 176.094 0.046 0.000 1.049 391 V CA 2.286 64.636 62.300 0.083 0.000 1.024 391 V CB -0.689 31.164 31.823 0.049 0.000 0.648 391 V HN 0.700 nan 8.190 nan 0.000 0.447 392 E N 0.085 120.294 120.200 0.016 0.000 2.051 392 E HA -0.296 4.058 4.350 0.006 0.000 0.192 392 E C 2.322 178.879 176.600 -0.073 0.000 0.991 392 E CA 1.777 58.165 56.400 -0.020 0.000 0.799 392 E CB -0.039 29.647 29.700 -0.023 0.000 0.748 392 E HN 0.563 nan 8.360 nan 0.000 0.449 393 K N -0.819 119.495 120.400 -0.142 0.000 2.103 393 K HA -0.078 4.246 4.320 0.006 0.000 0.204 393 K C 1.346 177.660 176.600 -0.477 0.000 1.052 393 K CA 1.178 57.237 56.287 -0.379 0.000 0.945 393 K CB 0.049 32.186 32.500 -0.605 0.000 0.722 393 K HN 0.076 nan 8.250 nan 0.000 0.443 394 F N -0.065 119.895 119.950 0.017 0.000 2.706 394 F HA 0.331 4.862 4.527 0.006 0.000 0.308 394 F C 0.384 176.191 175.800 0.012 0.000 1.095 394 F CA 0.069 58.078 58.000 0.016 0.000 1.244 394 F CB 1.592 40.605 39.000 0.021 0.000 1.063 394 F HN 0.154 nan 8.300 nan 0.000 0.582 395 G N 1.473 110.358 108.800 0.141 0.000 3.019 395 G HA2 -0.194 3.769 3.960 0.006 0.000 0.686 395 G HA3 -0.194 3.769 3.960 0.006 0.000 0.686 395 G C 0.411 175.362 174.900 0.085 0.000 1.056 395 G CA -0.265 44.888 45.100 0.089 0.000 0.774 395 G HN 0.123 nan 8.290 nan 0.000 0.583 396 E N 0.662 120.893 120.200 0.051 0.000 2.086 396 E HA -0.248 4.106 4.350 0.006 0.000 0.205 396 E C 2.141 178.757 176.600 0.027 0.000 1.027 396 E CA 1.931 58.352 56.400 0.035 0.000 0.830 396 E CB 0.041 29.752 29.700 0.018 0.000 0.751 396 E HN 0.810 nan 8.360 nan 0.000 0.456 397 E N -0.022 120.193 120.200 0.024 0.000 2.502 397 E HA -0.093 4.261 4.350 0.006 0.000 0.194 397 E C 0.484 177.095 176.600 0.017 0.000 1.062 397 E CA 0.278 56.686 56.400 0.013 0.000 0.867 397 E CB -0.092 29.613 29.700 0.008 0.000 0.888 397 E HN 0.122 nan 8.360 nan 0.000 0.510 398 N N 0.517 119.239 118.700 0.037 0.000 2.236 398 N HA 0.123 4.866 4.740 0.006 0.000 0.196 398 N C -0.242 175.279 175.510 0.018 0.000 1.114 398 N CA -0.010 53.060 53.050 0.033 0.000 0.859 398 N CB 0.632 39.159 38.487 0.068 0.000 0.982 398 N HN 0.165 nan 8.380 nan 0.000 0.493 399 I N 0.955 121.541 120.570 0.026 0.000 2.377 399 I HA 0.274 4.447 4.170 0.006 0.000 0.293 399 I C 0.078 176.186 176.117 -0.016 0.000 0.987 399 I CA -0.839 60.472 61.300 0.019 0.000 1.185 399 I CB 1.549 39.581 38.000 0.053 0.000 1.341 399 I HN -0.102 nan 8.210 nan 0.000 0.455 400 E N 4.856 125.046 120.200 -0.016 0.000 2.199 400 E HA 0.535 4.889 4.350 0.006 0.000 0.265 400 E C -1.525 175.031 176.600 -0.074 0.000 0.882 400 E CA -0.450 55.897 56.400 -0.089 0.000 0.759 400 E CB 1.733 31.390 29.700 -0.072 0.000 1.148 400 E HN 0.279 nan 8.360 nan 0.000 0.412 401 V N 5.696 125.497 119.914 -0.189 0.000 2.357 401 V HA 0.339 4.463 4.120 0.006 0.000 0.284 401 V C -0.949 174.994 176.094 -0.251 0.000 1.018 401 V CA -0.664 61.554 62.300 -0.137 0.000 0.841 401 V CB 0.306 32.027 31.823 -0.170 0.000 0.991 401 V HN 0.624 nan 8.190 nan 0.000 0.437 402 Y N 4.842 125.100 120.300 -0.070 0.000 2.323 402 Y HA 0.655 5.208 4.550 0.006 0.000 0.331 402 Y C 0.628 176.518 175.900 -0.017 0.000 1.092 402 Y CA -0.438 57.639 58.100 -0.037 0.000 1.150 402 Y CB 1.104 39.557 38.460 -0.011 0.000 1.200 402 Y HN 0.837 nan 8.280 nan 0.000 0.472 403 H N -1.142 117.910 119.070 -0.031 0.000 2.990 403 H HA 0.843 5.403 4.556 0.007 0.000 0.336 403 H C -1.496 173.704 175.328 -0.213 0.000 1.306 403 H CA -1.211 54.703 56.048 -0.225 0.000 1.118 403 H CB 2.190 31.813 29.762 -0.231 0.000 1.856 403 H HN 0.522 nan 8.280 nan 0.000 0.538 404 S N 0.884 116.328 115.700 -0.427 0.000 2.580 404 S HA 0.343 4.817 4.470 0.006 0.000 0.281 404 S C -1.775 172.675 174.600 -0.250 0.000 1.129 404 S CA -0.810 57.210 58.200 -0.300 0.000 0.862 404 S CB 0.800 63.921 63.200 -0.133 0.000 1.090 404 S HN 0.478 nan 8.310 nan 0.000 0.451 405 F N 3.521 123.503 119.950 0.055 0.000 2.380 405 F HA 0.694 5.226 4.527 0.008 0.000 0.325 405 F C 0.385 176.303 175.800 0.198 0.000 1.136 405 F CA -0.074 57.995 58.000 0.114 0.000 1.171 405 F CB 0.895 39.918 39.000 0.039 0.000 1.230 405 F HN 0.611 nan 8.300 nan 0.000 0.554 406 F N -0.578 119.506 119.950 0.223 0.000 2.685 406 F HA 0.562 5.093 4.527 0.007 0.000 0.315 406 F C -2.009 173.931 175.800 0.234 0.000 1.126 406 F CA -1.735 56.358 58.000 0.153 0.000 0.950 406 F CB 1.062 40.080 39.000 0.030 0.000 1.360 406 F HN 0.370 nan 8.300 nan 0.000 0.469 407 W N 4.024 125.391 121.300 0.111 0.000 2.453 407 W HA 0.658 5.318 4.660 0.000 0.000 0.310 407 W C -2.978 173.513 176.519 -0.047 0.000 1.000 407 W CA -3.341 53.992 57.345 -0.020 0.000 1.367 407 W CB 1.098 30.596 29.460 0.063 0.000 1.269 407 W HN 0.339 nan 8.180 nan 0.000 0.418 408 P HA -0.120 nan 4.420 nan 0.000 0.262 408 P C 1.066 178.118 177.300 -0.414 0.000 1.182 408 P CA 0.077 62.927 63.100 -0.417 0.000 0.761 408 P CB 0.701 31.737 31.700 -1.107 0.000 0.795 409 L N 4.522 125.599 121.223 -0.243 0.000 2.043 409 L HA -0.234 4.110 4.340 0.006 0.000 0.212 409 L C 1.688 178.470 176.870 -0.147 0.000 1.075 409 L CA 2.041 56.745 54.840 -0.227 0.000 0.752 409 L CB -1.073 40.907 42.059 -0.132 0.000 0.891 409 L HN 0.295 nan 8.230 nan 0.000 0.432 410 E N -1.208 118.972 120.200 -0.034 0.000 2.333 410 E HA -0.241 4.113 4.350 0.006 0.000 0.200 410 E C 1.457 178.321 176.600 0.439 0.000 1.010 410 E CA 1.394 57.919 56.400 0.208 0.000 0.841 410 E CB -0.329 29.500 29.700 0.216 0.000 0.757 410 E HN 0.616 nan 8.360 nan 0.000 0.508 411 W N -0.199 121.059 121.300 -0.069 0.000 3.278 411 W HA 0.175 4.840 4.660 0.008 0.000 0.308 411 W C 1.842 178.266 176.519 -0.158 0.000 1.253 411 W CA 0.749 58.088 57.345 -0.010 0.000 1.759 411 W CB -0.865 28.677 29.460 0.136 0.000 1.093 411 W HN 0.125 nan 8.180 nan 0.000 0.648 412 T N -3.245 111.142 114.554 -0.279 0.000 2.851 412 T HA -0.100 4.254 4.350 0.006 0.000 0.262 412 T C 1.849 176.465 174.700 -0.140 0.000 1.043 412 T CA 1.279 63.068 62.100 -0.519 0.000 1.140 412 T CB -0.715 67.725 68.868 -0.713 0.000 0.872 412 T HN -0.116 nan 8.240 nan 0.000 0.446 413 V N 2.839 122.659 119.914 -0.157 0.000 2.323 413 V HA 0.014 4.138 4.120 0.006 0.000 0.244 413 V C -0.368 175.614 176.094 -0.186 0.000 1.041 413 V CA 1.396 63.530 62.300 -0.276 0.000 1.025 413 V CB -1.181 30.226 31.823 -0.693 0.000 0.656 413 V HN 0.386 nan 8.190 nan 0.000 0.451 414 P HA -0.071 nan 4.420 nan 0.000 0.225 414 P C 0.718 178.068 177.300 0.083 0.000 1.148 414 P CA 1.346 64.468 63.100 0.035 0.000 0.779 414 P CB -0.045 31.728 31.700 0.121 0.000 0.780 415 S N -0.761 115.028 115.700 0.149 0.000 3.884 415 S HA -0.162 4.311 4.470 0.006 0.000 0.374 415 S C -0.002 174.773 174.600 0.290 0.000 0.971 415 S CA 0.387 58.739 58.200 0.254 0.000 1.152 415 S CB -1.745 61.541 63.200 0.144 0.000 0.877 415 S HN 0.472 nan 8.310 nan 0.000 0.491 416 R N 0.085 120.820 120.500 0.391 0.000 2.774 416 R HA 0.716 5.060 4.340 0.006 0.000 0.272 416 R C -0.657 175.885 176.300 0.402 0.000 1.000 416 R CA -0.456 55.800 56.100 0.260 0.000 0.906 416 R CB 0.511 30.862 30.300 0.086 0.000 1.227 416 R HN 0.047 nan 8.270 nan 0.000 0.468 417 D N 0.312 120.834 120.400 0.203 0.000 2.699 417 D HA -0.175 4.469 4.640 0.006 0.000 0.239 417 D C -0.783 175.612 176.300 0.159 0.000 1.136 417 D CA 0.910 55.044 54.000 0.224 0.000 0.668 417 D CB -0.707 40.221 40.800 0.215 0.000 1.060 417 D HN 0.614 nan 8.370 nan 0.000 0.429 418 N N 1.387 119.870 118.700 -0.360 0.000 2.479 418 N HA 0.007 4.750 4.740 0.006 0.000 0.257 418 N C 0.671 175.893 175.510 -0.479 0.000 1.232 418 N CA 0.242 52.694 53.050 -0.997 0.000 0.920 418 N CB 0.323 37.979 38.487 -1.385 0.000 1.105 418 N HN 0.090 nan 8.380 nan 0.000 0.444 419 N N 0.809 119.260 118.700 -0.415 0.000 2.721 419 N HA -0.190 4.554 4.740 0.006 0.000 0.249 419 N C -0.118 175.146 175.510 -0.409 0.000 1.072 419 N CA 0.547 53.317 53.050 -0.466 0.000 0.710 419 N CB -0.288 37.794 38.487 -0.676 0.000 0.993 419 N HN 0.651 nan 8.380 nan 0.000 0.547 420 K N -0.720 119.644 120.400 -0.061 0.000 2.306 420 K HA 0.187 4.511 4.320 0.006 0.000 0.200 420 K C 0.888 177.595 176.600 0.177 0.000 1.083 420 K CA 0.338 56.689 56.287 0.107 0.000 0.959 420 K CB 0.015 32.676 32.500 0.267 0.000 0.994 420 K HN 0.220 nan 8.250 nan 0.000 0.492 421 C N 2.252 121.544 119.300 -0.014 0.000 2.662 421 C HA 0.248 4.712 4.460 0.006 0.000 0.420 421 C C 0.196 175.059 174.990 -0.212 0.000 1.314 421 C CA -0.364 58.430 59.018 -0.373 0.000 1.963 421 C CB -1.307 25.671 27.740 -1.271 0.000 2.686 421 C HN 0.391 nan 8.230 nan 0.000 0.609 422 Y N 0.934 121.130 120.300 -0.173 0.000 2.482 422 Y HA 0.598 5.152 4.550 0.006 0.000 0.334 422 Y C -0.555 175.413 175.900 0.115 0.000 1.091 422 Y CA -0.532 57.533 58.100 -0.058 0.000 1.027 422 Y CB 0.990 39.341 38.460 -0.181 0.000 1.306 422 Y HN 0.865 nan 8.280 nan 0.000 0.446 423 A N 5.587 128.053 122.820 -0.590 0.000 2.393 423 A HA 0.838 5.162 4.320 0.006 0.000 0.306 423 A C -1.643 175.444 177.584 -0.829 0.000 1.050 423 A CA -0.842 50.814 52.037 -0.634 0.000 0.724 423 A CB 1.260 19.666 19.000 -0.991 0.000 1.248 423 A HN 0.729 nan 8.150 nan 0.000 0.424 424 K N 0.044 120.190 120.400 -0.422 0.000 2.498 424 K HA 0.760 5.084 4.320 0.006 0.000 0.254 424 K C -1.016 175.609 176.600 0.043 0.000 0.933 424 K CA -0.758 55.416 56.287 -0.188 0.000 0.806 424 K CB 2.084 34.509 32.500 -0.125 0.000 1.301 424 K HN 0.975 nan 8.250 nan 0.000 0.432 425 V N -0.215 119.763 119.914 0.107 0.000 2.628 425 V HA 0.671 4.795 4.120 0.006 0.000 0.306 425 V C -0.575 175.630 176.094 0.185 0.000 1.045 425 V CA -0.896 61.500 62.300 0.160 0.000 0.905 425 V CB 1.220 33.138 31.823 0.159 0.000 0.997 425 V HN 0.834 nan 8.190 nan 0.000 0.436 426 I N 3.401 124.081 120.570 0.183 0.000 2.362 426 I HA 0.529 4.703 4.170 0.006 0.000 0.289 426 I C -0.431 175.758 176.117 0.121 0.000 0.994 426 I CA -0.049 61.344 61.300 0.156 0.000 1.158 426 I CB 1.436 39.541 38.000 0.176 0.000 1.315 426 I HN 0.685 nan 8.210 nan 0.000 0.451 427 C N 4.561 123.928 119.300 0.112 0.000 2.411 427 C HA 0.327 4.791 4.460 0.006 0.000 0.330 427 C C 0.399 175.372 174.990 -0.029 0.000 1.224 427 C CA -0.875 58.179 59.018 0.060 0.000 1.770 427 C CB 1.128 28.956 27.740 0.147 0.000 2.297 427 C HN 0.739 nan 8.230 nan 0.000 0.507 428 N N 2.009 120.628 118.700 -0.137 0.000 2.462 428 N HA 0.253 4.996 4.740 0.006 0.000 0.242 428 N C 0.740 176.164 175.510 -0.143 0.000 1.010 428 N CA -0.498 52.392 53.050 -0.266 0.000 0.939 428 N CB 0.529 38.662 38.487 -0.590 0.000 1.127 428 N HN 0.663 nan 8.380 nan 0.000 0.509 429 L N 3.000 124.175 121.223 -0.079 0.000 2.265 429 L HA -0.088 4.256 4.340 0.006 0.000 0.215 429 L C 1.971 178.818 176.870 -0.038 0.000 1.117 429 L CA 0.775 55.595 54.840 -0.033 0.000 0.782 429 L CB -0.135 41.918 42.059 -0.009 0.000 0.914 429 L HN 0.524 nan 8.230 nan 0.000 0.441 430 K N -0.599 119.763 120.400 -0.063 0.000 2.487 430 K HA -0.008 4.316 4.320 0.006 0.000 0.192 430 K C 0.120 176.690 176.600 -0.050 0.000 1.027 430 K CA 0.516 56.780 56.287 -0.039 0.000 1.054 430 K CB 0.039 32.533 32.500 -0.010 0.000 0.824 430 K HN 0.108 nan 8.250 nan 0.000 0.510 431 D N 0.606 120.958 120.400 -0.081 0.000 2.992 431 D HA 0.094 4.738 4.640 0.006 0.000 0.372 431 D C -0.721 175.546 176.300 -0.055 0.000 1.374 431 D CA -0.179 53.777 54.000 -0.073 0.000 0.769 431 D CB -0.353 40.375 40.800 -0.121 0.000 1.215 431 D HN -0.045 nan 8.370 nan 0.000 0.473 432 N N 1.707 120.386 118.700 -0.035 0.000 2.725 432 N HA -0.229 4.514 4.740 0.006 0.000 0.249 432 N C -0.734 174.763 175.510 -0.023 0.000 1.103 432 N CA 1.176 54.212 53.050 -0.022 0.000 0.707 432 N CB -1.066 37.409 38.487 -0.019 0.000 1.043 432 N HN 0.628 nan 8.380 nan 0.000 0.553 433 E N -1.876 118.307 120.200 -0.027 0.000 2.320 433 E HA -0.275 4.079 4.350 0.006 0.000 0.234 433 E C 0.121 176.702 176.600 -0.031 0.000 1.183 433 E CA 0.561 56.953 56.400 -0.014 0.000 0.713 433 E CB -0.712 29.004 29.700 0.026 0.000 1.226 433 E HN 0.379 nan 8.360 nan 0.000 0.382 434 R N 0.401 120.863 120.500 -0.063 0.000 2.538 434 R HA 0.072 4.416 4.340 0.006 0.000 0.282 434 R C -0.356 175.920 176.300 -0.041 0.000 1.009 434 R CA 0.197 56.262 56.100 -0.058 0.000 1.063 434 R CB 0.644 30.890 30.300 -0.089 0.000 0.945 434 R HN 0.064 nan 8.270 nan 0.000 0.414 435 V N 7.170 127.081 119.914 -0.005 0.000 2.415 435 V HA 0.020 4.144 4.120 0.006 0.000 0.267 435 V C 1.042 177.158 176.094 0.037 0.000 1.042 435 V CA 0.331 62.651 62.300 0.034 0.000 1.000 435 V CB 0.920 32.779 31.823 0.060 0.000 1.015 435 V HN 0.806 nan 8.190 nan 0.000 0.478 436 V N 2.061 122.006 119.914 0.053 0.000 3.528 436 V HA 0.674 4.798 4.120 0.006 0.000 0.294 436 V C 0.690 176.862 176.094 0.130 0.000 1.404 436 V CA 0.618 62.968 62.300 0.083 0.000 1.065 436 V CB 0.259 32.137 31.823 0.091 0.000 0.904 436 V HN 0.810 nan 8.190 nan 0.000 0.435 437 G N -0.051 108.838 108.800 0.147 0.000 2.766 437 G HA2 0.596 4.560 3.960 0.006 0.000 0.297 437 G HA3 0.596 4.560 3.960 0.006 0.000 0.297 437 G C -2.009 173.004 174.900 0.188 0.000 1.431 437 G CA -0.560 44.645 45.100 0.176 0.000 1.042 437 G HN 0.290 nan 8.290 nan 0.000 0.542 438 F N 2.100 121.938 119.950 -0.186 0.000 2.557 438 F HA 0.732 5.263 4.527 0.006 0.000 0.316 438 F C -1.250 174.316 175.800 -0.390 0.000 1.141 438 F CA -0.730 57.144 58.000 -0.210 0.000 0.922 438 F CB 1.869 40.689 39.000 -0.301 0.000 1.194 438 F HN 0.549 nan 8.300 nan 0.000 0.443 439 H N 4.205 123.015 119.070 -0.432 0.000 2.759 439 H HA 0.687 5.246 4.556 0.006 0.000 0.354 439 H C -1.443 173.843 175.328 -0.071 0.000 1.074 439 H CA -0.918 55.090 56.048 -0.066 0.000 1.226 439 H CB 2.222 32.113 29.762 0.215 0.000 1.648 439 H HN 0.563 nan 8.280 nan 0.000 0.529 440 V N 4.289 124.342 119.914 0.232 0.000 2.686 440 V HA 0.483 4.606 4.120 0.006 0.000 0.306 440 V C -1.667 174.686 176.094 0.432 0.000 1.065 440 V CA -0.756 61.733 62.300 0.315 0.000 0.894 440 V CB 1.894 33.933 31.823 0.360 0.000 1.004 440 V HN 0.595 nan 8.190 nan 0.000 0.424 441 L N 6.837 128.292 121.223 0.387 0.000 2.316 441 L HA 1.036 5.380 4.340 0.006 0.000 0.280 441 L C 0.117 177.128 176.870 0.236 0.000 1.006 441 L CA 1.140 56.164 54.840 0.307 0.000 0.836 441 L CB 1.044 43.240 42.059 0.229 0.000 1.221 441 L HN 1.060 nan 8.230 nan 0.000 0.418 442 G N 4.242 113.183 108.800 0.235 0.000 2.317 442 G HA2 0.277 4.241 3.960 0.006 0.000 0.293 442 G HA3 0.277 4.241 3.960 0.006 0.000 0.293 442 G C -3.375 171.671 174.900 0.243 0.000 1.287 442 G CA -0.713 44.505 45.100 0.195 0.000 0.850 442 G HN 0.322 nan 8.290 nan 0.000 0.515 443 P HA 0.194 nan 4.420 nan 0.000 0.271 443 P C -0.193 177.247 177.300 0.233 0.000 1.216 443 P CA 0.126 63.387 63.100 0.269 0.000 0.776 443 P CB 0.396 32.245 31.700 0.248 0.000 0.881 444 N N 0.318 119.165 118.700 0.246 0.000 2.735 444 N HA -0.238 4.505 4.740 0.006 0.000 0.248 444 N C 1.141 176.770 175.510 0.199 0.000 1.083 444 N CA 0.959 54.139 53.050 0.218 0.000 0.703 444 N CB -1.765 36.824 38.487 0.169 0.000 1.005 444 N HN 0.594 nan 8.380 nan 0.000 0.550 445 A N 0.298 123.233 122.820 0.191 0.000 1.927 445 A HA -0.105 4.219 4.320 0.006 0.000 0.220 445 A C 2.343 179.993 177.584 0.111 0.000 1.185 445 A CA 2.474 54.606 52.037 0.158 0.000 0.639 445 A CB -1.014 18.048 19.000 0.105 0.000 0.820 445 A HN 0.568 nan 8.150 nan 0.000 0.451 446 G N -0.307 108.538 108.800 0.075 0.000 2.459 446 G HA2 -0.252 3.712 3.960 0.006 0.000 0.217 446 G HA3 -0.252 3.712 3.960 0.006 0.000 0.217 446 G C 1.333 176.290 174.900 0.096 0.000 1.183 446 G CA 1.066 46.211 45.100 0.075 0.000 0.776 446 G HN 0.542 nan 8.290 nan 0.000 0.552 447 E N 0.497 120.770 120.200 0.122 0.000 2.085 447 E HA -0.118 4.236 4.350 0.006 0.000 0.194 447 E C 2.837 179.490 176.600 0.089 0.000 0.994 447 E CA 1.061 57.516 56.400 0.090 0.000 0.801 447 E CB -0.774 28.982 29.700 0.094 0.000 0.743 447 E HN 0.358 nan 8.360 nan 0.000 0.453 448 V N 1.412 121.415 119.914 0.148 0.000 2.358 448 V HA -0.197 3.927 4.120 0.006 0.000 0.246 448 V C 2.354 178.583 176.094 0.226 0.000 1.047 448 V CA 2.115 64.550 62.300 0.226 0.000 1.035 448 V CB -0.847 31.167 31.823 0.319 0.000 0.658 448 V HN 0.272 nan 8.190 nan 0.000 0.452 449 T N -0.819 113.826 114.554 0.153 0.000 2.857 449 T HA -0.209 4.144 4.350 0.006 0.000 0.266 449 T C 1.892 176.520 174.700 -0.119 0.000 1.048 449 T CA 1.490 63.604 62.100 0.023 0.000 1.139 449 T CB -0.201 68.704 68.868 0.061 0.000 0.874 449 T HN 0.411 nan 8.240 nan 0.000 0.455 450 Q N 1.526 121.287 119.800 -0.066 0.000 2.045 450 Q HA -0.080 4.263 4.340 0.006 0.000 0.206 450 Q C 2.447 178.346 176.000 -0.168 0.000 0.991 450 Q CA 2.335 58.078 55.803 -0.099 0.000 0.851 450 Q CB -1.145 27.558 28.738 -0.059 0.000 0.911 450 Q HN 0.492 nan 8.270 nan 0.000 0.418 451 G N -1.023 107.654 108.800 -0.204 0.000 2.440 451 G HA2 -0.258 3.706 3.960 0.006 0.000 0.218 451 G HA3 -0.258 3.706 3.960 0.006 0.000 0.218 451 G C 1.119 175.746 174.900 -0.454 0.000 1.154 451 G CA 0.926 45.827 45.100 -0.331 0.000 0.767 451 G HN 0.412 nan 8.290 nan 0.000 0.552 452 F N 1.692 121.355 119.950 -0.478 0.000 2.234 452 F HA 0.118 4.648 4.527 0.006 0.000 0.299 452 F C 2.994 178.455 175.800 -0.565 0.000 1.087 452 F CA 0.726 58.313 58.000 -0.687 0.000 1.340 452 F CB -0.293 37.830 39.000 -1.461 0.000 1.031 452 F HN 0.238 nan 8.300 nan 0.000 0.500 453 A N 0.132 122.758 122.820 -0.324 0.000 1.940 453 A HA -0.132 4.192 4.320 0.006 0.000 0.219 453 A C 2.442 179.924 177.584 -0.171 0.000 1.176 453 A CA 1.793 53.695 52.037 -0.224 0.000 0.631 453 A CB -1.265 17.628 19.000 -0.179 0.000 0.814 453 A HN 0.307 nan 8.150 nan 0.000 0.446 454 A N -0.215 122.496 122.820 -0.181 0.000 1.902 454 A HA 0.147 4.470 4.320 0.006 0.000 0.217 454 A C 2.481 179.981 177.584 -0.141 0.000 1.181 454 A CA 2.093 54.040 52.037 -0.150 0.000 0.623 454 A CB -0.935 17.971 19.000 -0.157 0.000 0.818 454 A HN 1.071 nan 8.150 nan 0.000 0.443 455 A N -0.873 121.843 122.820 -0.172 0.000 1.930 455 A HA 0.063 4.387 4.320 0.006 0.000 0.217 455 A C 2.016 179.550 177.584 -0.084 0.000 1.175 455 A CA 1.490 53.449 52.037 -0.129 0.000 0.627 455 A CB -0.488 18.428 19.000 -0.139 0.000 0.815 455 A HN 0.391 nan 8.150 nan 0.000 0.443 456 L N 0.047 121.216 121.223 -0.091 0.000 2.042 456 L HA -0.174 4.169 4.340 0.006 0.000 0.210 456 L C 2.357 179.199 176.870 -0.047 0.000 1.076 456 L CA 1.721 56.526 54.840 -0.059 0.000 0.749 456 L CB -0.394 41.625 42.059 -0.066 0.000 0.893 456 L HN 0.216 nan 8.230 nan 0.000 0.432 457 K N -0.861 119.503 120.400 -0.060 0.000 2.218 457 K HA -0.141 4.183 4.320 0.006 0.000 0.205 457 K C 1.655 178.231 176.600 -0.041 0.000 1.046 457 K CA 1.437 57.695 56.287 -0.048 0.000 0.933 457 K CB -0.644 31.821 32.500 -0.059 0.000 0.728 457 K HN 0.427 nan 8.250 nan 0.000 0.454 458 C N 0.410 119.681 119.300 -0.047 0.000 2.693 458 C HA 0.286 4.750 4.460 0.006 0.000 0.286 458 C C 1.103 176.075 174.990 -0.030 0.000 1.277 458 C CA -0.338 58.656 59.018 -0.040 0.000 1.705 458 C CB -1.012 26.699 27.740 -0.049 0.000 1.879 458 C HN 0.595 nan 8.230 nan 0.000 0.607 459 G N 1.655 110.440 108.800 -0.025 0.000 2.314 459 G HA2 -0.252 3.711 3.960 0.006 0.000 0.292 459 G HA3 -0.252 3.711 3.960 0.006 0.000 0.292 459 G C -0.099 174.790 174.900 -0.018 0.000 1.059 459 G CA 0.176 45.266 45.100 -0.017 0.000 0.982 459 G HN 0.667 nan 8.290 nan 0.000 0.505 460 L N 1.982 123.194 121.223 -0.018 0.000 2.628 460 L HA 0.488 4.832 4.340 0.006 0.000 0.274 460 L C 1.190 178.057 176.870 -0.005 0.000 1.209 460 L CA 0.980 55.815 54.840 -0.009 0.000 0.930 460 L CB 0.194 42.256 42.059 0.005 0.000 1.183 460 L HN 0.611 nan 8.230 nan 0.000 0.492 461 T N 1.196 115.743 114.554 -0.011 0.000 2.934 461 T HA 0.322 4.676 4.350 0.006 0.000 0.283 461 T C 0.930 175.615 174.700 -0.025 0.000 1.005 461 T CA -0.460 61.629 62.100 -0.018 0.000 1.041 461 T CB 1.466 70.321 68.868 -0.022 0.000 1.042 461 T HN 0.628 nan 8.240 nan 0.000 0.505 462 K N 0.714 121.086 120.400 -0.047 0.000 2.103 462 K HA -0.197 4.127 4.320 0.006 0.000 0.207 462 K C 2.391 178.933 176.600 -0.097 0.000 1.048 462 K CA 2.185 58.407 56.287 -0.108 0.000 0.930 462 K CB -0.497 31.899 32.500 -0.173 0.000 0.716 462 K HN 0.856 nan 8.250 nan 0.000 0.444 463 Q N -0.378 119.387 119.800 -0.058 0.000 2.172 463 Q HA -0.147 4.197 4.340 0.006 0.000 0.200 463 Q C 1.898 177.882 176.000 -0.028 0.000 0.964 463 Q CA 1.061 56.839 55.803 -0.043 0.000 0.855 463 Q CB -0.229 28.493 28.738 -0.026 0.000 0.918 463 Q HN 0.418 nan 8.270 nan 0.000 0.444 464 Q N 0.396 120.183 119.800 -0.022 0.000 2.084 464 Q HA -0.133 4.211 4.340 0.006 0.000 0.202 464 Q C 2.151 178.151 176.000 0.000 0.000 0.978 464 Q CA 1.327 57.123 55.803 -0.012 0.000 0.844 464 Q CB -0.100 28.631 28.738 -0.012 0.000 0.898 464 Q HN 0.341 nan 8.270 nan 0.000 0.426 465 L N 1.497 122.725 121.223 0.008 0.000 2.012 465 L HA -0.201 4.143 4.340 0.006 0.000 0.210 465 L C 1.389 178.277 176.870 0.030 0.000 1.073 465 L CA 1.977 56.846 54.840 0.048 0.000 0.748 465 L CB -0.517 41.573 42.059 0.051 0.000 0.891 465 L HN 0.115 nan 8.230 nan 0.000 0.431 466 D N -1.095 119.295 120.400 -0.017 0.000 2.264 466 D HA -0.101 4.543 4.640 0.006 0.000 0.208 466 D C 2.296 178.592 176.300 -0.006 0.000 0.966 466 D CA 1.275 55.262 54.000 -0.022 0.000 0.864 466 D CB -0.017 40.752 40.800 -0.052 0.000 0.933 466 D HN 0.585 nan 8.370 nan 0.000 0.499 467 S N -0.834 114.863 115.700 -0.005 0.000 2.528 467 S HA 0.004 4.478 4.470 0.006 0.000 0.219 467 S C 0.994 175.594 174.600 -0.000 0.000 0.985 467 S CA -0.106 58.091 58.200 -0.005 0.000 0.914 467 S CB -0.153 63.041 63.200 -0.009 0.000 0.776 467 S HN -0.086 nan 8.310 nan 0.000 0.526 468 T N 4.657 119.217 114.554 0.010 0.000 2.851 468 T HA 0.355 4.708 4.350 0.006 0.000 0.298 468 T C 0.075 174.787 174.700 0.021 0.000 0.977 468 T CA -0.330 61.777 62.100 0.012 0.000 1.126 468 T CB 0.341 69.225 68.868 0.027 0.000 0.916 468 T HN 0.173 nan 8.240 nan 0.000 0.529 469 I N 3.054 123.630 120.570 0.011 0.000 2.474 469 I HA 0.286 4.460 4.170 0.006 0.000 0.287 469 I C 1.343 177.477 176.117 0.028 0.000 1.048 469 I CA -0.415 60.894 61.300 0.014 0.000 1.383 469 I CB 0.454 38.457 38.000 0.005 0.000 1.412 469 I HN 0.679 nan 8.210 nan 0.000 0.531 470 G N 6.237 115.059 108.800 0.037 0.000 2.606 470 G HA2 0.482 4.445 3.960 0.006 0.000 0.252 470 G HA3 0.482 4.445 3.960 0.006 0.000 0.252 470 G C -0.174 174.761 174.900 0.059 0.000 1.206 470 G CA -0.559 44.576 45.100 0.058 0.000 0.861 470 G HN 0.533 nan 8.290 nan 0.000 0.561 471 I N 0.190 120.802 120.570 0.071 0.000 2.353 471 I HA 0.235 4.408 4.170 0.006 0.000 0.293 471 I C -0.190 176.004 176.117 0.128 0.000 0.992 471 I CA -0.651 60.694 61.300 0.074 0.000 1.268 471 I CB 1.563 39.589 38.000 0.044 0.000 1.387 471 I HN 0.468 nan 8.210 nan 0.000 0.478 472 H N 7.053 126.126 119.070 0.004 0.000 2.495 472 H HA 0.589 5.149 4.556 0.006 0.000 0.348 472 H C -2.500 172.829 175.328 0.003 0.000 1.113 472 H CA -1.961 54.089 56.048 0.003 0.000 1.195 472 H CB 1.582 31.347 29.762 0.004 0.000 1.521 472 H HN 0.307 nan 8.280 nan 0.000 0.509 473 P HA 0.378 nan 4.420 nan 0.000 0.301 473 P C -1.499 175.717 177.300 -0.140 0.000 1.385 473 P CA -0.603 62.220 63.100 -0.462 0.000 0.902 473 P CB 1.442 32.751 31.700 -0.651 0.000 0.965 474 V N 2.796 122.693 119.914 -0.029 0.000 2.808 474 V HA 0.063 4.187 4.120 0.006 0.000 0.308 474 V C 1.252 177.342 176.094 -0.006 0.000 1.099 474 V CA -0.501 61.795 62.300 -0.006 0.000 0.920 474 V CB 1.885 33.720 31.823 0.020 0.000 1.014 474 V HN 0.671 nan 8.190 nan 0.000 0.425 475 C N 2.888 122.180 119.300 -0.013 0.000 2.376 475 C HA -0.211 4.253 4.460 0.006 0.000 0.275 475 C C 2.820 177.687 174.990 -0.205 0.000 1.200 475 C CA 1.776 60.732 59.018 -0.104 0.000 1.756 475 C CB -1.051 26.721 27.740 0.053 0.000 2.050 475 C HN 1.053 nan 8.230 nan 0.000 0.460 476 A N 1.186 124.015 122.820 0.015 0.000 2.032 476 A HA -0.254 4.070 4.320 0.006 0.000 0.221 476 A C 2.086 179.784 177.584 0.191 0.000 1.165 476 A CA 2.020 54.175 52.037 0.198 0.000 0.645 476 A CB -0.804 18.373 19.000 0.295 0.000 0.807 476 A HN 0.869 nan 8.150 nan 0.000 0.453 477 E N -0.319 119.923 120.200 0.070 0.000 2.209 477 E HA -0.234 4.119 4.350 0.006 0.000 0.196 477 E C 1.676 178.265 176.600 -0.018 0.000 0.993 477 E CA 1.325 57.767 56.400 0.069 0.000 0.819 477 E CB -0.532 29.210 29.700 0.070 0.000 0.745 477 E HN 0.446 nan 8.360 nan 0.000 0.477 478 I N 0.997 121.441 120.570 -0.211 0.000 2.236 478 I HA -0.276 3.897 4.170 0.006 0.000 0.249 478 I C 1.652 177.560 176.117 -0.349 0.000 1.102 478 I CA 1.300 62.372 61.300 -0.381 0.000 1.365 478 I CB -0.422 37.093 38.000 -0.808 0.000 1.051 478 I HN 0.097 nan 8.210 nan 0.000 0.420 479 F N 0.366 120.215 119.950 -0.169 0.000 2.365 479 F HA -0.148 4.383 4.527 0.006 0.000 0.300 479 F C 2.552 178.326 175.800 -0.042 0.000 1.090 479 F CA 1.538 59.447 58.000 -0.151 0.000 1.408 479 F CB -1.198 37.646 39.000 -0.260 0.000 1.060 479 F HN 0.241 nan 8.300 nan 0.000 0.534 480 T N -4.368 110.283 114.554 0.161 0.000 3.113 480 T HA -0.031 4.323 4.350 0.006 0.000 0.256 480 T C 1.256 175.972 174.700 0.026 0.000 1.131 480 T CA 1.134 63.300 62.100 0.110 0.000 1.074 480 T CB -0.616 68.312 68.868 0.100 0.000 0.944 480 T HN 0.254 nan 8.240 nan 0.000 0.516 481 T N -0.303 114.243 114.554 -0.014 0.000 3.339 481 T HA 0.454 4.807 4.350 0.006 0.000 0.292 481 T C 0.127 174.807 174.700 -0.034 0.000 1.012 481 T CA -0.655 61.428 62.100 -0.027 0.000 0.937 481 T CB -0.644 68.209 68.868 -0.026 0.000 1.164 481 T HN 0.307 nan 8.240 nan 0.000 0.509 482 L N 3.044 124.236 121.223 -0.052 0.000 2.456 482 L HA 0.333 4.676 4.340 0.006 0.000 0.277 482 L C 1.293 178.227 176.870 0.105 0.000 1.124 482 L CA -0.239 54.599 54.840 -0.003 0.000 0.880 482 L CB 0.503 42.553 42.059 -0.016 0.000 1.192 482 L HN 0.492 nan 8.230 nan 0.000 0.463 483 S N 0.965 116.760 115.700 0.159 0.000 2.604 483 S HA 0.172 4.646 4.470 0.006 0.000 0.235 483 S C 0.223 174.956 174.600 0.220 0.000 1.043 483 S CA -0.414 57.913 58.200 0.212 0.000 0.997 483 S CB 0.537 63.800 63.200 0.106 0.000 0.956 483 S HN 0.224 nan 8.310 nan 0.000 0.535 484 V N 4.092 124.115 119.914 0.182 0.000 2.370 484 V HA 0.521 4.645 4.120 0.006 0.000 0.279 484 V C 0.543 176.687 176.094 0.084 0.000 1.029 484 V CA -0.346 62.026 62.300 0.121 0.000 0.870 484 V CB 0.907 32.803 31.823 0.121 0.000 0.984 484 V HN 0.609 nan 8.190 nan 0.000 0.451 485 T N 1.399 115.895 114.554 -0.097 0.000 2.899 485 T HA 0.353 4.707 4.350 0.006 0.000 0.284 485 T C 0.931 175.505 174.700 -0.211 0.000 1.004 485 T CA -0.605 61.314 62.100 -0.301 0.000 1.043 485 T CB 1.671 70.268 68.868 -0.451 0.000 1.013 485 T HN 0.521 nan 8.240 nan 0.000 0.518 486 K N 0.212 120.379 120.400 -0.387 0.000 2.057 486 K HA -0.059 4.265 4.320 0.006 0.000 0.206 486 K C 2.573 179.082 176.600 -0.152 0.000 1.050 486 K CA 0.983 57.075 56.287 -0.325 0.000 0.935 486 K CB -0.124 32.143 32.500 -0.388 0.000 0.715 486 K HN 0.674 nan 8.250 nan 0.000 0.439 487 R N 0.468 120.870 120.500 -0.162 0.000 2.096 487 R HA -0.164 4.180 4.340 0.006 0.000 0.240 487 R C 2.154 178.410 176.300 -0.072 0.000 1.139 487 R CA 2.191 58.228 56.100 -0.106 0.000 0.952 487 R CB -0.374 29.858 30.300 -0.113 0.000 0.854 487 R HN 0.292 nan 8.270 nan 0.000 0.436 488 S N -0.964 114.689 115.700 -0.078 0.000 2.440 488 S HA -0.038 4.436 4.470 0.006 0.000 0.238 488 S C 1.584 176.179 174.600 -0.009 0.000 1.010 488 S CA 1.146 59.323 58.200 -0.039 0.000 0.972 488 S CB -0.376 62.803 63.200 -0.035 0.000 0.774 488 S HN 0.711 nan 8.310 nan 0.000 0.501 489 G N 0.651 109.451 108.800 -0.000 0.000 2.189 489 G HA2 -0.171 3.793 3.960 0.006 0.000 0.267 489 G HA3 -0.171 3.793 3.960 0.006 0.000 0.267 489 G C 0.517 175.446 174.900 0.049 0.000 0.975 489 G CA 0.264 45.379 45.100 0.025 0.000 0.644 489 G HN 1.235 nan 8.290 nan 0.000 0.537 490 G N -0.120 108.712 108.800 0.054 0.000 2.559 490 G HA2 0.386 4.350 3.960 0.006 0.000 0.235 490 G HA3 0.386 4.350 3.960 0.006 0.000 0.235 490 G C 0.041 174.987 174.900 0.076 0.000 1.266 490 G CA 0.642 45.777 45.100 0.059 0.000 0.847 490 G HN 0.610 nan 8.290 nan 0.000 0.583 491 D N -0.405 120.030 120.400 0.059 0.000 2.382 491 D HA 0.194 4.837 4.640 0.006 0.000 0.245 491 D C 1.308 177.645 176.300 0.063 0.000 1.120 491 D CA -0.158 53.878 54.000 0.060 0.000 0.890 491 D CB 0.555 41.381 40.800 0.045 0.000 1.201 491 D HN 0.319 nan 8.370 nan 0.000 0.433 492 I N 0.276 120.892 120.570 0.076 0.000 4.050 492 I HA 0.273 4.447 4.170 0.006 0.000 0.327 492 I C -0.527 175.719 176.117 0.215 0.000 1.473 492 I CA -0.563 60.783 61.300 0.076 0.000 1.124 492 I CB -0.043 37.884 38.000 -0.122 0.000 1.129 492 I HN 0.099 nan 8.210 nan 0.000 0.428 493 L N 2.371 123.689 121.223 0.158 0.000 2.326 493 L HA 0.386 4.730 4.340 0.006 0.000 0.278 493 L C 0.472 177.368 176.870 0.043 0.000 1.092 493 L CA -0.456 54.432 54.840 0.081 0.000 0.810 493 L CB 0.595 42.630 42.059 -0.041 0.000 1.153 493 L HN 0.218 nan 8.230 nan 0.000 0.439 494 Q N 1.415 121.228 119.800 0.021 0.000 2.443 494 Q HA 0.257 4.600 4.340 0.006 0.000 0.232 494 Q C -0.158 175.827 176.000 -0.025 0.000 1.026 494 Q CA -0.070 55.751 55.803 0.030 0.000 0.924 494 Q CB 1.395 30.176 28.738 0.072 0.000 1.256 494 Q HN 0.591 nan 8.270 nan 0.000 0.519 495 S N -0.703 115.004 115.700 0.011 0.000 2.511 495 S HA 0.497 4.971 4.470 0.006 0.000 0.233 495 S C -0.511 174.144 174.600 0.091 0.000 1.104 495 S CA 0.296 58.547 58.200 0.084 0.000 1.129 495 S CB -0.094 63.172 63.200 0.110 0.000 1.159 495 S HN 0.948 nan 8.310 nan 0.000 0.451 496 G N 2.416 111.269 108.800 0.087 0.000 2.970 496 G HA2 0.037 4.001 3.960 0.006 0.000 0.249 496 G HA3 0.037 4.001 3.960 0.006 0.000 0.249 496 G C 0.310 175.277 174.900 0.113 0.000 1.113 496 G CA -0.274 44.880 45.100 0.090 0.000 1.119 496 G HN 1.850 nan 8.290 nan 0.000 0.552 499 G N 0.000 108.808 108.800 0.013 0.000 5.446 499 G HA2 0.000 3.964 3.960 0.006 0.000 0.244 499 G HA3 0.000 3.964 3.960 0.006 0.000 0.244 499 G CA 0.000 45.101 45.100 0.001 0.000 0.502 499 G HN 0.000 nan 8.290 nan 0.000 0.925