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 1sgz_1_B DATA FIRST_RESID -3 DATA SEQUENCE GSFVEMVDNL RGKSGQGYYV EMTVGSPPQT LNILVDTGSS NFAVGAAPHP DATA SEQUENCE FLHRYYQRQL SSTYRDLRKG VYVPYTQGKW EGELGTDLVS IPHGPNVTVR DATA SEQUENCE ANIAAITESD KFFINGSNWE GILGLAYAEI ARPDDSLEPF FDSLVKQTHV DATA SEQUENCE PNLFSLQLcG AGFPLNQSEV LASVGGSMII GGIDHSLYTG SLWYTPIRRE DATA SEQUENCE WYYEVIIVRV EINGQDLKMD CKEYNYDKSI VDSGTTNLRL PKKVFEAAVK DATA SEQUENCE SIKAASSTEK FPDGFWLGEQ LVCWQAGTTP WNIFPVISLY LMGEVTNQSF DATA SEQUENCE RITILPQQYL RPVEDVATSQ DDCYKFAISQ SSTGTVMGAV IMEGFYVVFD DATA SEQUENCE RARKRIGFAV SAcHVHDEFR TAAVEGPFVT LDMEDCGYN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -3 G HA2 0.000 nan 3.960 nan 0.000 0.244 -3 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 -3 G C 0.000 175.113 174.900 0.354 0.000 0.946 -3 G CA 0.000 45.368 45.100 0.448 0.000 0.502 -2 S N 0.319 116.096 115.700 0.128 0.000 2.511 -2 S HA 0.589 5.059 4.470 0.001 0.000 0.233 -2 S C -1.416 173.124 174.600 -0.101 0.000 1.104 -2 S CA -0.486 57.768 58.200 0.091 0.000 1.129 -2 S CB -0.069 63.143 63.200 0.020 0.000 1.159 -2 S HN 0.208 nan 8.310 nan 0.000 0.451 -1 F N 4.234 124.216 119.950 0.054 0.000 2.532 -1 F HA 0.227 4.754 4.527 0.001 0.000 0.313 -1 F C 1.558 177.386 175.800 0.047 0.000 1.301 -1 F CA -0.860 57.174 58.000 0.057 0.000 1.154 -1 F CB 0.255 39.298 39.000 0.073 0.000 1.335 -1 F HN 0.451 nan 8.300 nan 0.000 0.542 0 V N -1.851 118.152 119.914 0.148 0.000 2.453 0 V HA -0.274 3.847 4.120 0.001 0.000 0.252 0 V C 1.964 178.123 176.094 0.108 0.000 1.068 0 V CA 2.306 64.669 62.300 0.104 0.000 1.070 0 V CB -0.435 31.422 31.823 0.056 0.000 0.664 0 V HN 0.654 nan 8.190 nan 0.000 0.461 1 E N -0.187 120.089 120.200 0.126 0.000 2.265 1 E HA -0.138 4.213 4.350 0.001 0.000 0.196 1 E C 1.956 178.651 176.600 0.158 0.000 0.996 1 E CA 1.458 57.939 56.400 0.135 0.000 0.832 1 E CB -0.067 29.711 29.700 0.129 0.000 0.756 1 E HN 0.719 nan 8.360 nan 0.000 0.491 2 M N 0.114 119.814 119.600 0.166 0.000 2.382 2 M HA 0.106 4.587 4.480 0.001 0.000 0.247 2 M C 0.197 176.548 176.300 0.086 0.000 1.104 2 M CA -0.153 55.231 55.300 0.140 0.000 1.030 2 M CB 1.350 34.039 32.600 0.149 0.000 1.424 2 M HN -0.195 nan 8.290 nan 0.000 0.486 3 V N 2.647 122.607 119.914 0.077 0.000 2.655 3 V HA -0.056 4.065 4.120 0.001 0.000 0.300 3 V C 0.248 176.340 176.094 -0.003 0.000 1.044 3 V CA 0.495 62.814 62.300 0.033 0.000 1.095 3 V CB 0.383 32.224 31.823 0.030 0.000 0.952 3 V HN 0.505 nan 8.190 nan 0.000 0.485 4 D N 3.168 123.555 120.400 -0.022 0.000 2.746 4 D HA -0.159 4.482 4.640 0.001 0.000 0.236 4 D C 0.782 177.036 176.300 -0.077 0.000 1.129 4 D CA 1.185 55.157 54.000 -0.047 0.000 0.691 4 D CB -0.815 39.956 40.800 -0.049 0.000 1.077 4 D HN 0.936 nan 8.370 nan 0.000 0.432 5 N N -0.251 118.416 118.700 -0.056 0.000 2.270 5 N HA 0.032 4.773 4.740 0.001 0.000 0.198 5 N C 0.414 175.884 175.510 -0.067 0.000 1.117 5 N CA 0.052 53.060 53.050 -0.069 0.000 0.845 5 N CB 0.283 38.786 38.487 0.026 0.000 0.980 5 N HN 0.335 nan 8.380 nan 0.000 0.486 6 L N 0.169 121.346 121.223 -0.078 0.000 2.330 6 L HA 0.575 4.916 4.340 0.001 0.000 0.271 6 L C 0.233 177.002 176.870 -0.168 0.000 1.013 6 L CA -0.881 53.894 54.840 -0.108 0.000 0.816 6 L CB 1.715 43.750 42.059 -0.040 0.000 1.287 6 L HN -0.057 nan 8.230 nan 0.000 0.435 7 R N 0.346 120.607 120.500 -0.398 0.000 2.808 7 R HA 0.824 5.165 4.340 0.001 0.000 0.272 7 R C -0.534 175.398 176.300 -0.614 0.000 0.995 7 R CA -0.581 55.229 56.100 -0.483 0.000 0.917 7 R CB 2.378 32.318 30.300 -0.599 0.000 1.217 7 R HN 0.864 nan 8.270 nan 0.000 0.471 8 G N 0.962 109.537 108.800 -0.374 0.000 2.298 8 G HA2 0.018 3.979 3.960 0.001 0.000 0.309 8 G HA3 0.018 3.979 3.960 0.001 0.000 0.309 8 G C -1.791 172.700 174.900 -0.681 0.000 1.279 8 G CA -0.535 44.318 45.100 -0.412 0.000 1.042 8 G HN 0.694 nan 8.290 nan 0.000 0.480 9 K N -2.326 117.546 120.400 -0.880 0.000 2.579 9 K HA 0.701 5.022 4.320 0.001 0.000 0.284 9 K C 1.201 177.499 176.600 -0.503 0.000 0.990 9 K CA 0.086 55.975 56.287 -0.664 0.000 0.880 9 K CB 1.242 33.594 32.500 -0.247 0.000 1.488 9 K HN 1.277 nan 8.250 nan 0.000 0.425 10 S N -0.117 115.526 115.700 -0.095 0.000 2.383 10 S HA -0.128 4.343 4.470 0.001 0.000 0.229 10 S C 1.881 176.499 174.600 0.029 0.000 1.030 10 S CA 1.316 59.569 58.200 0.089 0.000 1.002 10 S CB -0.877 62.409 63.200 0.144 0.000 0.829 10 S HN 0.811 nan 8.310 nan 0.000 0.467 11 G N 0.587 109.383 108.800 -0.007 0.000 2.443 11 G HA2 -0.018 3.943 3.960 0.001 0.000 0.219 11 G HA3 -0.018 3.943 3.960 0.001 0.000 0.219 11 G C 1.384 176.290 174.900 0.009 0.000 1.131 11 G CA 0.584 45.686 45.100 0.003 0.000 0.775 11 G HN 0.662 nan 8.290 nan 0.000 0.547 12 Q N -1.062 118.739 119.800 0.003 0.000 2.140 12 Q HA 0.386 4.727 4.340 0.001 0.000 0.227 12 Q C 0.644 176.774 176.000 0.217 0.000 0.798 12 Q CA 0.145 55.998 55.803 0.083 0.000 0.987 12 Q CB 1.954 30.711 28.738 0.030 0.000 1.161 12 Q HN 0.451 nan 8.270 nan 0.000 0.480 13 G N 0.803 109.635 108.800 0.054 0.000 2.663 13 G HA2 -0.210 3.751 3.960 0.001 0.000 0.686 13 G HA3 -0.210 3.751 3.960 0.001 0.000 0.686 13 G C -1.411 173.439 174.900 -0.083 0.000 1.246 13 G CA -0.985 44.137 45.100 0.037 0.000 0.795 13 G HN 0.106 nan 8.290 nan 0.000 0.627 14 Y N 0.216 120.522 120.300 0.009 0.000 2.360 14 Y HA 0.688 5.239 4.550 0.002 0.000 0.337 14 Y C 0.694 176.569 175.900 -0.041 0.000 1.039 14 Y CA -0.213 57.858 58.100 -0.048 0.000 1.109 14 Y CB 1.793 40.199 38.460 -0.089 0.000 1.201 14 Y HN 0.805 nan 8.280 nan 0.000 0.458 15 Y N 0.209 120.545 120.300 0.060 0.000 2.576 15 Y HA 0.836 5.386 4.550 0.001 0.000 0.346 15 Y C -1.678 174.236 175.900 0.024 0.000 1.018 15 Y CA -1.693 56.403 58.100 -0.006 0.000 1.050 15 Y CB 1.001 39.483 38.460 0.037 0.000 1.280 15 Y HN 0.423 nan 8.280 nan 0.000 0.474 16 V N 1.551 121.560 119.914 0.158 0.000 2.864 16 V HA 0.411 4.531 4.120 0.001 0.000 0.314 16 V C -0.780 175.412 176.094 0.164 0.000 1.073 16 V CA -0.861 61.494 62.300 0.092 0.000 0.956 16 V CB 1.835 33.660 31.823 0.005 0.000 1.023 16 V HN 0.988 nan 8.190 nan 0.000 0.435 17 E N 4.920 125.218 120.200 0.164 0.000 2.313 17 E HA 0.506 4.857 4.350 0.001 0.000 0.276 17 E C -0.853 175.791 176.600 0.073 0.000 1.031 17 E CA -0.252 56.242 56.400 0.155 0.000 0.857 17 E CB 0.944 30.764 29.700 0.199 0.000 1.040 17 E HN 0.681 nan 8.360 nan 0.000 0.408 18 M N 1.817 121.444 119.600 0.045 0.000 2.667 18 M HA 0.340 4.821 4.480 0.001 0.000 0.286 18 M C -0.739 175.572 176.300 0.017 0.000 1.270 18 M CA -0.924 54.373 55.300 -0.006 0.000 0.826 18 M CB 2.533 35.093 32.600 -0.066 0.000 1.743 18 M HN 0.576 nan 8.290 nan 0.000 0.460 19 T N -0.408 114.152 114.554 0.010 0.000 2.900 19 T HA 0.843 5.194 4.350 0.001 0.000 0.295 19 T C -0.797 173.920 174.700 0.028 0.000 1.044 19 T CA -0.770 61.342 62.100 0.020 0.000 0.995 19 T CB 1.607 70.486 68.868 0.019 0.000 1.072 19 T HN 0.709 nan 8.240 nan 0.000 0.473 20 V N -0.992 118.927 119.914 0.008 0.000 2.876 20 V HA 1.003 5.124 4.120 0.001 0.000 0.312 20 V C 0.584 176.716 176.094 0.063 0.000 1.085 20 V CA 0.036 62.327 62.300 -0.015 0.000 0.945 20 V CB 0.686 32.340 31.823 -0.282 0.000 1.017 20 V HN 2.070 nan 8.190 nan 0.000 0.428 21 G N 2.636 111.514 108.800 0.129 0.000 2.782 21 G HA2 0.110 4.071 3.960 0.001 0.000 0.228 21 G HA3 0.110 4.071 3.960 0.001 0.000 0.228 21 G C -0.343 174.634 174.900 0.129 0.000 1.372 21 G CA -0.243 44.975 45.100 0.197 0.000 0.862 21 G HN 1.937 nan 8.290 nan 0.000 0.547 22 S N 2.183 117.957 115.700 0.123 0.000 2.733 22 S HA 0.686 5.157 4.470 0.001 0.000 0.294 22 S C -2.248 172.393 174.600 0.068 0.000 1.149 22 S CA -0.521 57.729 58.200 0.083 0.000 1.034 22 S CB 2.830 66.075 63.200 0.076 0.000 1.015 22 S HN 0.821 nan 8.310 nan 0.000 0.486 23 P HA 0.280 nan 4.420 nan 0.000 0.272 23 P C -2.912 174.419 177.300 0.051 0.000 1.240 23 P CA -1.569 61.557 63.100 0.043 0.000 0.791 23 P CB -0.886 30.831 31.700 0.028 0.000 0.978 24 P HA 0.079 nan 4.420 nan 0.000 0.261 24 P C -0.516 176.808 177.300 0.039 0.000 1.183 24 P CA 0.718 63.844 63.100 0.043 0.000 0.761 24 P CB 0.073 31.790 31.700 0.028 0.000 0.785 25 Q N 1.692 121.521 119.800 0.049 0.000 2.368 25 Q HA 0.281 4.622 4.340 0.001 0.000 0.263 25 Q C -0.264 175.752 176.000 0.026 0.000 1.009 25 Q CA -0.428 55.399 55.803 0.040 0.000 0.818 25 Q CB 1.055 29.841 28.738 0.081 0.000 1.239 25 Q HN 0.360 nan 8.270 nan 0.000 0.464 26 T N 3.591 118.157 114.554 0.020 0.000 2.884 26 T HA 0.456 4.807 4.350 0.001 0.000 0.298 26 T C -0.183 174.533 174.700 0.026 0.000 0.998 26 T CA 0.019 62.135 62.100 0.027 0.000 1.124 26 T CB 0.293 69.181 68.868 0.033 0.000 0.931 26 T HN 0.349 nan 8.240 nan 0.000 0.531 27 L N 2.898 124.143 121.223 0.037 0.000 2.465 27 L HA 0.437 4.778 4.340 0.001 0.000 0.257 27 L C -0.264 176.645 176.870 0.065 0.000 0.988 27 L CA -1.009 53.853 54.840 0.037 0.000 0.827 27 L CB 2.286 44.361 42.059 0.027 0.000 1.397 27 L HN 0.560 nan 8.230 nan 0.000 0.410 28 N N 2.413 121.142 118.700 0.048 0.000 2.419 28 N HA 0.520 5.261 4.740 0.001 0.000 0.264 28 N C -1.177 174.398 175.510 0.108 0.000 1.031 28 N CA -0.562 52.532 53.050 0.073 0.000 0.951 28 N CB 1.279 39.644 38.487 -0.203 0.000 1.101 28 N HN 0.239 nan 8.380 nan 0.000 0.488 29 I N 3.125 123.785 120.570 0.150 0.000 2.389 29 I HA 0.202 4.373 4.170 0.001 0.000 0.288 29 I C -0.073 176.029 176.117 -0.025 0.000 0.999 29 I CA -0.860 60.486 61.300 0.076 0.000 1.129 29 I CB 1.278 39.315 38.000 0.063 0.000 1.288 29 I HN 0.427 nan 8.210 nan 0.000 0.444 30 L N 7.742 128.780 121.223 -0.308 0.000 2.540 30 L HA 0.094 4.435 4.340 0.001 0.000 0.276 30 L C -0.147 176.535 176.870 -0.314 0.000 1.212 30 L CA 0.497 55.003 54.840 -0.557 0.000 0.893 30 L CB 0.618 41.880 42.059 -1.329 0.000 1.138 30 L HN 0.340 nan 8.230 nan 0.000 0.491 31 V N 5.290 125.079 119.914 -0.209 0.000 2.389 31 V HA 0.233 4.354 4.120 0.001 0.000 0.264 31 V C -0.306 175.671 176.094 -0.195 0.000 1.049 31 V CA -0.267 61.916 62.300 -0.195 0.000 0.932 31 V CB 0.867 32.602 31.823 -0.146 0.000 1.011 31 V HN 0.784 nan 8.190 nan 0.000 0.475 32 D N 3.346 123.623 120.400 -0.204 0.000 2.440 32 D HA 0.220 4.861 4.640 0.001 0.000 0.252 32 D C 1.111 177.342 176.300 -0.114 0.000 1.180 32 D CA -0.201 53.710 54.000 -0.149 0.000 0.894 32 D CB 1.813 42.529 40.800 -0.140 0.000 1.111 32 D HN 0.573 nan 8.370 nan 0.000 0.544 33 T N -0.212 114.281 114.554 -0.101 0.000 3.160 33 T HA 0.116 4.467 4.350 0.001 0.000 0.257 33 T C 1.566 176.353 174.700 0.146 0.000 1.147 33 T CA 0.412 62.499 62.100 -0.022 0.000 1.064 33 T CB 0.166 68.909 68.868 -0.208 0.000 0.949 33 T HN 0.293 nan 8.240 nan 0.000 0.526 34 G N 0.915 109.768 108.800 0.088 0.000 3.042 34 G HA2 0.416 4.377 3.960 0.001 0.000 0.212 34 G HA3 0.416 4.377 3.960 0.001 0.000 0.212 34 G C 0.355 175.325 174.900 0.116 0.000 1.166 34 G CA 0.140 45.329 45.100 0.148 0.000 0.767 34 G HN 0.775 nan 8.290 nan 0.000 0.546 35 S N -1.979 113.741 115.700 0.033 0.000 2.671 35 S HA 0.646 5.117 4.470 0.001 0.000 0.277 35 S C -0.123 174.470 174.600 -0.013 0.000 1.165 35 S CA -0.319 57.885 58.200 0.007 0.000 0.822 35 S CB 1.842 65.081 63.200 0.064 0.000 1.150 35 S HN -0.046 nan 8.310 nan 0.000 0.479 36 S N 0.149 115.858 115.700 0.014 0.000 2.937 36 S HA 0.385 4.856 4.470 0.001 0.000 0.252 36 S C -0.613 174.052 174.600 0.109 0.000 1.022 36 S CA -0.485 57.734 58.200 0.032 0.000 1.079 36 S CB -0.419 62.782 63.200 0.002 0.000 1.035 36 S HN 0.674 nan 8.310 nan 0.000 0.594 37 N N 1.284 120.079 118.700 0.159 0.000 2.399 37 N HA 0.485 5.226 4.740 0.001 0.000 0.295 37 N C -1.370 174.276 175.510 0.228 0.000 1.048 37 N CA -0.472 52.715 53.050 0.229 0.000 0.886 37 N CB 1.155 39.857 38.487 0.359 0.000 1.185 37 N HN 0.309 nan 8.380 nan 0.000 0.487 38 F N 2.141 122.117 119.950 0.043 0.000 2.391 38 F HA 0.677 5.204 4.527 0.001 0.000 0.359 38 F C -0.521 175.228 175.800 -0.087 0.000 1.122 38 F CA -0.665 57.311 58.000 -0.041 0.000 1.120 38 F CB 0.369 39.365 39.000 -0.006 0.000 1.142 38 F HN 0.452 nan 8.300 nan 0.000 0.483 39 A N 6.138 128.744 122.820 -0.357 0.000 2.455 39 A HA 0.717 5.037 4.320 0.001 0.000 0.300 39 A C -1.483 175.819 177.584 -0.469 0.000 1.040 39 A CA -0.555 51.126 52.037 -0.593 0.000 0.697 39 A CB 1.620 19.946 19.000 -1.123 0.000 1.265 39 A HN 0.918 nan 8.150 nan 0.000 0.407 40 V N -0.269 119.424 119.914 -0.369 0.000 2.876 40 V HA 0.938 5.059 4.120 0.001 0.000 0.312 40 V C 0.440 176.585 176.094 0.086 0.000 1.085 40 V CA -0.277 61.955 62.300 -0.113 0.000 0.945 40 V CB 1.293 32.971 31.823 -0.241 0.000 1.017 40 V HN 1.670 nan 8.190 nan 0.000 0.428 41 G N 1.514 110.460 108.800 0.242 0.000 2.380 41 G HA2 0.516 4.476 3.960 0.001 0.000 0.242 41 G HA3 0.516 4.476 3.960 0.001 0.000 0.242 41 G C 0.475 175.470 174.900 0.157 0.000 1.298 41 G CA 0.144 45.358 45.100 0.191 0.000 0.878 41 G HN 1.951 nan 8.290 nan 0.000 0.542 42 A N 1.216 124.097 122.820 0.102 0.000 2.605 42 A HA 0.783 5.104 4.320 0.001 0.000 0.292 42 A C 0.584 178.103 177.584 -0.108 0.000 1.055 42 A CA 0.682 52.794 52.037 0.126 0.000 0.969 42 A CB 0.072 19.132 19.000 0.101 0.000 1.236 42 A HN 1.962 nan 8.150 nan 0.000 0.534 43 A N 0.500 123.013 122.820 -0.511 0.000 2.605 43 A HA 0.746 5.067 4.320 0.001 0.000 0.294 43 A C -3.262 173.685 177.584 -1.060 0.000 1.062 43 A CA -1.314 50.232 52.037 -0.819 0.000 0.682 43 A CB 0.839 19.659 19.000 -0.299 0.000 1.278 43 A HN 0.047 nan 8.150 nan 0.000 0.410 44 P HA 0.126 nan 4.420 nan 0.000 0.265 44 P C -0.883 176.302 177.300 -0.191 0.000 1.187 44 P CA 0.726 63.552 63.100 -0.456 0.000 0.766 44 P CB 0.318 31.917 31.700 -0.168 0.000 0.820 45 H N 2.529 121.471 119.070 -0.214 0.000 3.046 45 H HA 0.222 4.778 4.556 0.001 0.000 0.363 45 H C -2.100 173.111 175.328 -0.195 0.000 1.203 45 H CA -1.630 54.300 56.048 -0.197 0.000 1.169 45 H CB 2.093 31.739 29.762 -0.194 0.000 1.851 45 H HN 0.058 nan 8.280 nan 0.000 0.546 46 P HA -0.098 nan 4.420 nan 0.000 0.216 46 P C 0.814 178.070 177.300 -0.072 0.000 1.150 46 P CA 1.527 64.362 63.100 -0.443 0.000 0.843 46 P CB -0.009 31.174 31.700 -0.862 0.000 0.787 47 F N -2.175 117.907 119.950 0.220 0.000 2.693 47 F HA 0.199 4.727 4.527 0.001 0.000 0.303 47 F C 0.868 176.574 175.800 -0.156 0.000 1.097 47 F CA -0.631 57.402 58.000 0.055 0.000 1.330 47 F CB 0.107 39.152 39.000 0.076 0.000 1.067 47 F HN -0.210 nan 8.300 nan 0.000 0.565 48 L N 0.053 121.297 121.223 0.036 0.000 2.296 48 L HA 0.289 4.630 4.340 0.001 0.000 0.286 48 L C 0.783 177.689 176.870 0.060 0.000 1.023 48 L CA -0.396 54.357 54.840 -0.146 0.000 0.812 48 L CB 1.374 43.282 42.059 -0.251 0.000 1.223 48 L HN 0.192 nan 8.230 nan 0.000 0.421 49 H N 2.659 121.704 119.070 -0.041 0.000 2.525 49 H HA 0.119 4.676 4.556 0.001 0.000 0.275 49 H C 0.100 175.424 175.328 -0.005 0.000 0.984 49 H CA -0.047 55.993 56.048 -0.013 0.000 1.264 49 H CB 0.556 30.299 29.762 -0.032 0.000 1.432 49 H HN 0.505 nan 8.280 nan 0.000 0.549 50 R N -0.252 120.311 120.500 0.105 0.000 2.734 50 R HA 0.373 4.713 4.340 0.001 0.000 0.271 50 R C -1.930 174.417 176.300 0.078 0.000 1.021 50 R CA -1.019 55.092 56.100 0.019 0.000 0.893 50 R CB 1.566 31.848 30.300 -0.031 0.000 1.244 50 R HN 0.056 nan 8.270 nan 0.000 0.464 51 Y N -2.061 118.225 120.300 -0.023 0.000 2.689 51 Y HA 0.469 5.020 4.550 0.001 0.000 0.333 51 Y C -1.625 174.316 175.900 0.069 0.000 1.208 51 Y CA -1.722 56.370 58.100 -0.012 0.000 1.055 51 Y CB 0.616 39.049 38.460 -0.045 0.000 1.304 51 Y HN 0.580 nan 8.280 nan 0.000 0.455 52 Y N 2.845 123.224 120.300 0.132 0.000 2.496 52 Y HA 0.299 4.850 4.550 0.001 0.000 0.334 52 Y C -0.474 175.464 175.900 0.065 0.000 1.080 52 Y CA -0.692 57.426 58.100 0.030 0.000 1.355 52 Y CB 0.766 39.222 38.460 -0.007 0.000 1.193 52 Y HN 0.674 nan 8.280 nan 0.000 0.523 53 Q N 7.281 127.017 119.800 -0.106 0.000 2.560 53 Q HA 0.270 4.611 4.340 0.001 0.000 0.238 53 Q C 0.979 176.691 176.000 -0.480 0.000 1.079 53 Q CA -0.430 55.228 55.803 -0.241 0.000 0.866 53 Q CB 0.935 29.577 28.738 -0.159 0.000 1.153 53 Q HN 0.798 nan 8.270 nan 0.000 0.530 54 R N 0.781 120.773 120.500 -0.847 0.000 2.117 54 R HA -0.222 4.119 4.340 0.001 0.000 0.243 54 R C 1.563 177.569 176.300 -0.489 0.000 1.143 54 R CA 1.638 57.138 56.100 -1.001 0.000 0.968 54 R CB 0.102 29.538 30.300 -1.439 0.000 0.863 54 R HN 0.579 nan 8.270 nan 0.000 0.444 55 Q N 0.220 119.834 119.800 -0.309 0.000 2.291 55 Q HA -0.089 4.252 4.340 0.001 0.000 0.206 55 Q C 1.637 177.592 176.000 -0.075 0.000 0.976 55 Q CA 0.858 56.581 55.803 -0.133 0.000 0.875 55 Q CB 0.086 28.770 28.738 -0.091 0.000 0.927 55 Q HN 0.418 nan 8.270 nan 0.000 0.450 56 L N -0.385 120.782 121.223 -0.094 0.000 2.592 56 L HA 0.135 4.476 4.340 0.001 0.000 0.227 56 L C 0.784 177.656 176.870 0.003 0.000 1.127 56 L CA -0.197 54.620 54.840 -0.039 0.000 0.884 56 L CB 0.426 42.458 42.059 -0.046 0.000 1.065 56 L HN -0.102 nan 8.230 nan 0.000 0.457 57 S N -0.396 115.311 115.700 0.012 0.000 2.438 57 S HA 0.179 4.650 4.470 0.001 0.000 0.316 57 S C 1.229 175.905 174.600 0.127 0.000 1.084 57 S CA -0.439 57.820 58.200 0.097 0.000 1.107 57 S CB 1.263 64.572 63.200 0.180 0.000 0.981 57 S HN 0.317 nan 8.310 nan 0.000 0.466 58 S N 3.082 118.843 115.700 0.103 0.000 2.453 58 S HA -0.096 4.375 4.470 0.001 0.000 0.231 58 S C 1.465 176.129 174.600 0.107 0.000 1.005 58 S CA 1.206 59.461 58.200 0.092 0.000 0.949 58 S CB -0.755 62.483 63.200 0.063 0.000 0.774 58 S HN 0.846 nan 8.310 nan 0.000 0.510 59 T N -2.183 112.450 114.554 0.131 0.000 3.086 59 T HA 0.215 4.566 4.350 0.001 0.000 0.250 59 T C 0.261 175.058 174.700 0.162 0.000 1.074 59 T CA -0.610 61.562 62.100 0.120 0.000 0.988 59 T CB -0.741 68.190 68.868 0.106 0.000 0.988 59 T HN 0.425 nan 8.240 nan 0.000 0.530 60 Y N 3.226 123.580 120.300 0.090 0.000 2.610 60 Y HA 0.362 4.913 4.550 0.001 0.000 0.332 60 Y C 0.114 176.058 175.900 0.074 0.000 1.201 60 Y CA -1.100 57.064 58.100 0.105 0.000 1.465 60 Y CB 0.348 38.850 38.460 0.069 0.000 1.283 60 Y HN 0.065 nan 8.280 nan 0.000 0.563 61 R N 4.833 124.941 120.500 -0.654 0.000 2.476 61 R HA 0.168 4.509 4.340 0.001 0.000 0.305 61 R C -1.512 174.298 176.300 -0.818 0.000 0.965 61 R CA -0.992 54.742 56.100 -0.611 0.000 0.867 61 R CB 1.143 31.313 30.300 -0.217 0.000 1.176 61 R HN 0.639 nan 8.270 nan 0.000 0.447 62 D N 3.808 123.782 120.400 -0.711 0.000 2.316 62 D HA 0.084 4.725 4.640 0.001 0.000 0.245 62 D C 0.590 176.823 176.300 -0.112 0.000 1.171 62 D CA -0.171 53.633 54.000 -0.326 0.000 0.856 62 D CB 1.145 41.874 40.800 -0.118 0.000 1.090 62 D HN 0.487 nan 8.370 nan 0.000 0.476 63 L N 3.660 124.868 121.223 -0.026 0.000 2.591 63 L HA 0.185 4.526 4.340 0.001 0.000 0.228 63 L C 1.027 177.913 176.870 0.026 0.000 1.133 63 L CA -0.121 54.723 54.840 0.006 0.000 0.880 63 L CB -0.167 41.913 42.059 0.035 0.000 1.033 63 L HN 0.428 nan 8.230 nan 0.000 0.450 64 R N 0.936 121.459 120.500 0.038 0.000 3.322 64 R HA -0.211 4.129 4.340 0.001 0.000 0.253 64 R C -0.021 176.306 176.300 0.046 0.000 0.987 64 R CA 0.725 56.851 56.100 0.043 0.000 0.666 64 R CB -1.527 28.788 30.300 0.026 0.000 1.072 64 R HN 0.290 nan 8.270 nan 0.000 0.447 65 K N -0.264 120.172 120.400 0.061 0.000 2.525 65 K HA 0.485 4.806 4.320 0.001 0.000 0.254 65 K C -0.166 176.480 176.600 0.077 0.000 0.934 65 K CA -0.176 56.147 56.287 0.059 0.000 0.802 65 K CB 1.904 34.437 32.500 0.056 0.000 1.295 65 K HN 0.152 nan 8.250 nan 0.000 0.433 66 G N 1.111 109.950 108.800 0.066 0.000 2.488 66 G HA2 0.607 4.568 3.960 0.001 0.000 0.318 66 G HA3 0.607 4.568 3.960 0.001 0.000 0.318 66 G C -1.374 173.575 174.900 0.081 0.000 1.188 66 G CA -0.561 44.586 45.100 0.078 0.000 0.944 66 G HN 0.410 nan 8.290 nan 0.000 0.495 67 V N 0.113 120.085 119.914 0.096 0.000 2.851 67 V HA 0.687 4.808 4.120 0.001 0.000 0.307 67 V C -2.096 174.002 176.094 0.007 0.000 1.129 67 V CA -0.921 61.412 62.300 0.055 0.000 0.932 67 V CB 1.919 33.800 31.823 0.096 0.000 1.024 67 V HN 0.814 nan 8.190 nan 0.000 0.426 68 Y N 5.360 125.515 120.300 -0.243 0.000 2.361 68 Y HA 0.767 5.318 4.550 0.002 0.000 0.337 68 Y C -1.071 174.536 175.900 -0.488 0.000 0.965 68 Y CA -1.021 56.880 58.100 -0.332 0.000 1.091 68 Y CB 2.214 40.559 38.460 -0.191 0.000 1.182 68 Y HN 0.404 nan 8.280 nan 0.000 0.450 69 V N 9.346 128.545 119.914 -1.191 0.000 2.327 69 V HA 0.368 4.489 4.120 0.001 0.000 0.272 69 V C -2.447 173.048 176.094 -0.998 0.000 1.019 69 V CA -1.495 60.111 62.300 -1.155 0.000 0.814 69 V CB 1.083 32.019 31.823 -1.479 0.000 1.040 69 V HN 0.647 nan 8.190 nan 0.000 0.440 70 P HA 0.523 nan 4.420 nan 0.000 0.281 70 P C -1.609 175.528 177.300 -0.271 0.000 1.249 70 P CA -0.230 62.463 63.100 -0.679 0.000 0.810 70 P CB 1.574 32.916 31.700 -0.597 0.000 1.008 71 Y N -2.591 117.613 120.300 -0.160 0.000 2.592 71 Y HA 0.337 4.888 4.550 0.001 0.000 0.334 71 Y C 1.410 177.298 175.900 -0.020 0.000 1.136 71 Y CA -0.450 57.608 58.100 -0.070 0.000 1.042 71 Y CB -0.504 37.939 38.460 -0.029 0.000 1.325 71 Y HN 0.532 nan 8.280 nan 0.000 0.457 72 T N -1.269 113.410 114.554 0.207 0.000 2.142 72 T HA -0.468 3.883 4.350 0.001 0.000 0.179 72 T C 0.964 175.716 174.700 0.087 0.000 1.682 72 T CA 2.427 64.608 62.100 0.135 0.000 0.955 72 T CB -0.814 68.143 68.868 0.149 0.000 0.784 72 T HN 0.899 nan 8.240 nan 0.000 0.441 73 Q N 2.620 122.521 119.800 0.168 0.000 2.465 73 Q HA 0.487 4.828 4.340 0.001 0.000 0.361 73 Q C 0.343 176.340 176.000 -0.005 0.000 0.957 73 Q CA 0.117 55.973 55.803 0.089 0.000 1.065 73 Q CB -0.338 28.480 28.738 0.132 0.000 1.274 73 Q HN 0.971 nan 8.270 nan 0.000 0.421 74 G N 0.751 109.369 108.800 -0.303 0.000 2.334 74 G HA2 0.179 4.140 3.960 0.001 0.000 0.249 74 G HA3 0.179 4.140 3.960 0.001 0.000 0.249 74 G C -1.814 172.433 174.900 -1.087 0.000 1.327 74 G CA -0.282 44.525 45.100 -0.488 0.000 0.979 74 G HN 0.340 nan 8.290 nan 0.000 0.471 75 K N -1.772 118.101 120.400 -0.878 0.000 3.552 75 K HA 0.592 4.913 4.320 0.001 0.000 0.382 75 K C -1.479 175.044 176.600 -0.129 0.000 1.059 75 K CA -0.346 55.526 56.287 -0.692 0.000 0.799 75 K CB 0.102 32.269 32.500 -0.554 0.000 1.495 75 K HN 2.018 nan 8.250 nan 0.000 0.491 76 W N 0.347 121.491 121.300 -0.260 0.000 3.167 76 W HA 0.756 5.416 4.660 0.001 0.000 0.324 76 W C -1.599 174.841 176.519 -0.132 0.000 1.230 76 W CA -0.498 56.675 57.345 -0.285 0.000 1.184 76 W CB 1.494 30.515 29.460 -0.732 0.000 1.414 76 W HN 0.953 nan 8.180 nan 0.000 0.551 77 E N 1.735 122.109 120.200 0.290 0.000 2.413 77 E HA 0.817 5.168 4.350 0.001 0.000 0.277 77 E C -0.787 176.029 176.600 0.360 0.000 0.958 77 E CA -0.891 55.645 56.400 0.226 0.000 0.779 77 E CB 2.412 32.245 29.700 0.223 0.000 1.278 77 E HN 0.798 nan 8.360 nan 0.000 0.456 78 G N 0.868 109.859 108.800 0.318 0.000 2.494 78 G HA2 0.371 4.332 3.960 0.001 0.000 0.308 78 G HA3 0.371 4.332 3.960 0.001 0.000 0.308 78 G C -1.593 173.428 174.900 0.203 0.000 1.263 78 G CA -0.805 44.452 45.100 0.263 0.000 0.840 78 G HN 0.481 nan 8.290 nan 0.000 0.479 79 E N -0.084 120.223 120.200 0.178 0.000 2.187 79 E HA 0.524 4.874 4.350 0.001 0.000 0.268 79 E C -0.608 176.104 176.600 0.187 0.000 0.896 79 E CA -0.533 55.962 56.400 0.159 0.000 0.766 79 E CB 2.581 32.361 29.700 0.133 0.000 1.142 79 E HN 0.293 nan 8.360 nan 0.000 0.408 80 L N 2.289 123.615 121.223 0.171 0.000 2.326 80 L HA 0.654 4.995 4.340 0.001 0.000 0.278 80 L C 0.658 177.635 176.870 0.177 0.000 1.092 80 L CA -0.126 54.817 54.840 0.172 0.000 0.810 80 L CB 0.973 43.115 42.059 0.139 0.000 1.153 80 L HN 0.697 nan 8.230 nan 0.000 0.439 81 G N 0.766 109.686 108.800 0.200 0.000 2.619 81 G HA2 0.638 4.599 3.960 0.001 0.000 0.305 81 G HA3 0.638 4.599 3.960 0.001 0.000 0.305 81 G C -1.238 173.761 174.900 0.165 0.000 1.330 81 G CA -0.088 45.111 45.100 0.166 0.000 0.789 81 G HN 0.558 nan 8.290 nan 0.000 0.487 82 T N -2.140 112.485 114.554 0.119 0.000 2.896 82 T HA 0.761 5.112 4.350 0.001 0.000 0.297 82 T C -1.590 173.225 174.700 0.192 0.000 1.108 82 T CA -0.610 61.578 62.100 0.145 0.000 1.004 82 T CB 2.962 71.878 68.868 0.081 0.000 1.159 82 T HN 0.638 nan 8.240 nan 0.000 0.499 83 D N -0.170 120.353 120.400 0.205 0.000 2.692 83 D HA 0.365 5.005 4.640 0.001 0.000 0.290 83 D C -0.986 175.415 176.300 0.167 0.000 1.281 83 D CA -0.629 53.501 54.000 0.217 0.000 0.804 83 D CB 1.835 42.822 40.800 0.313 0.000 1.331 83 D HN 0.689 nan 8.370 nan 0.000 0.432 84 L N 0.897 122.207 121.223 0.144 0.000 2.349 84 L HA 0.556 4.897 4.340 0.001 0.000 0.275 84 L C -0.139 176.807 176.870 0.127 0.000 1.115 84 L CA -0.639 54.269 54.840 0.114 0.000 0.820 84 L CB 1.212 43.323 42.059 0.086 0.000 1.135 84 L HN 0.067 nan 8.230 nan 0.000 0.445 85 V N 1.776 121.774 119.914 0.139 0.000 2.789 85 V HA 0.581 4.702 4.120 0.001 0.000 0.311 85 V C -0.306 175.855 176.094 0.113 0.000 1.073 85 V CA -0.432 61.955 62.300 0.144 0.000 0.921 85 V CB 2.184 34.149 31.823 0.237 0.000 1.009 85 V HN 0.858 nan 8.190 nan 0.000 0.426 86 S N 3.118 118.854 115.700 0.060 0.000 2.627 86 S HA 0.757 5.228 4.470 0.001 0.000 0.283 86 S C -0.904 173.697 174.600 0.002 0.000 1.127 86 S CA -0.572 57.652 58.200 0.040 0.000 0.863 86 S CB 2.013 65.226 63.200 0.021 0.000 1.121 86 S HN 0.561 nan 8.310 nan 0.000 0.479 87 I N 2.470 123.042 120.570 0.003 0.000 2.521 87 I HA 0.271 4.442 4.170 0.001 0.000 0.277 87 I C -2.113 173.987 176.117 -0.029 0.000 1.054 87 I CA -2.116 59.176 61.300 -0.013 0.000 1.117 87 I CB 1.929 39.931 38.000 0.003 0.000 1.217 87 I HN 0.382 nan 8.210 nan 0.000 0.469 88 P HA -0.206 nan 4.420 nan 0.000 0.217 88 P C 0.572 177.656 177.300 -0.360 0.000 1.158 88 P CA 1.641 64.595 63.100 -0.243 0.000 0.887 88 P CB 0.034 31.547 31.700 -0.313 0.000 0.792 89 H N -1.250 117.840 119.070 0.035 0.000 2.533 89 H HA 0.519 5.076 4.556 0.001 0.000 0.281 89 H C 0.965 176.322 175.328 0.048 0.000 1.238 89 H CA 0.059 56.132 56.048 0.041 0.000 1.024 89 H CB -0.144 29.639 29.762 0.035 0.000 1.604 89 H HN 0.127 nan 8.280 nan 0.000 0.531 90 G N 0.913 109.771 108.800 0.097 0.000 3.086 90 G HA2 0.324 4.285 3.960 0.001 0.000 0.282 90 G HA3 0.324 4.285 3.960 0.001 0.000 0.282 90 G C -2.695 172.261 174.900 0.095 0.000 1.343 90 G CA -1.412 43.748 45.100 0.101 0.000 0.895 90 G HN -0.088 nan 8.290 nan 0.000 0.557 91 P HA 0.010 nan 4.420 nan 0.000 0.269 91 P C -0.562 176.773 177.300 0.058 0.000 1.217 91 P CA -0.071 63.087 63.100 0.096 0.000 0.783 91 P CB 0.811 32.567 31.700 0.094 0.000 0.898 92 N N 0.853 119.584 118.700 0.051 0.000 2.968 92 N HA 0.263 5.003 4.740 0.001 0.000 0.271 92 N C -0.331 175.193 175.510 0.023 0.000 1.174 92 N CA -0.476 52.592 53.050 0.030 0.000 1.096 92 N CB -0.185 38.319 38.487 0.029 0.000 1.403 92 N HN 0.204 nan 8.380 nan 0.000 0.522 93 V N -0.922 119.002 119.914 0.017 0.000 3.181 93 V HA 0.651 4.772 4.120 0.001 0.000 0.308 93 V C -0.454 175.644 176.094 0.006 0.000 1.214 93 V CA -0.713 61.589 62.300 0.002 0.000 1.053 93 V CB 1.883 33.694 31.823 -0.020 0.000 1.069 93 V HN 0.076 nan 8.190 nan 0.000 0.441 94 T N 1.907 116.459 114.554 -0.004 0.000 2.937 94 T HA 0.714 5.065 4.350 0.001 0.000 0.297 94 T C -0.568 174.126 174.700 -0.010 0.000 0.991 94 T CA -0.251 61.856 62.100 0.011 0.000 0.990 94 T CB 1.291 70.169 68.868 0.017 0.000 0.991 94 T HN 1.581 nan 8.240 nan 0.000 0.440 95 V N 1.617 121.530 119.914 -0.002 0.000 2.864 95 V HA 0.763 4.884 4.120 0.001 0.000 0.314 95 V C -0.348 175.751 176.094 0.010 0.000 1.073 95 V CA -1.517 60.755 62.300 -0.047 0.000 0.956 95 V CB 1.972 33.691 31.823 -0.173 0.000 1.023 95 V HN 0.820 nan 8.190 nan 0.000 0.435 96 R N 2.176 122.671 120.500 -0.008 0.000 2.229 96 R HA 0.794 5.135 4.340 0.001 0.000 0.328 96 R C -0.304 176.018 176.300 0.037 0.000 1.009 96 R CA 0.354 56.476 56.100 0.037 0.000 0.864 96 R CB 0.907 31.221 30.300 0.023 0.000 1.085 96 R HN 1.261 nan 8.270 nan 0.000 0.453 97 A N 3.939 126.833 122.820 0.122 0.000 2.479 97 A HA 0.458 4.779 4.320 0.001 0.000 0.296 97 A C -1.100 176.620 177.584 0.228 0.000 1.121 97 A CA -1.078 51.059 52.037 0.168 0.000 0.743 97 A CB 1.335 20.523 19.000 0.312 0.000 1.323 97 A HN 0.763 nan 8.150 nan 0.000 0.415 98 N N 0.304 119.141 118.700 0.229 0.000 2.518 98 N HA 0.433 5.174 4.740 0.001 0.000 0.266 98 N C -0.918 174.767 175.510 0.292 0.000 1.196 98 N CA 0.546 53.727 53.050 0.220 0.000 0.947 98 N CB 0.701 39.299 38.487 0.185 0.000 1.098 98 N HN 0.511 nan 8.380 nan 0.000 0.450 99 I N 0.762 121.446 120.570 0.190 0.000 2.534 99 I HA 0.318 4.489 4.170 0.001 0.000 0.288 99 I C -0.454 175.693 176.117 0.051 0.000 1.077 99 I CA -0.995 60.318 61.300 0.021 0.000 1.051 99 I CB 1.976 39.949 38.000 -0.045 0.000 1.234 99 I HN 0.368 nan 8.210 nan 0.000 0.425 100 A N 5.050 127.844 122.820 -0.043 0.000 2.260 100 A HA 0.772 5.093 4.320 0.001 0.000 0.312 100 A C 0.193 177.771 177.584 -0.011 0.000 1.321 100 A CA -0.458 51.615 52.037 0.061 0.000 0.928 100 A CB 0.603 19.688 19.000 0.141 0.000 1.158 100 A HN 0.798 nan 8.150 nan 0.000 0.542 101 A N 3.946 126.836 122.820 0.117 0.000 2.376 101 A HA 0.521 4.842 4.320 0.001 0.000 0.298 101 A C 0.111 177.761 177.584 0.111 0.000 1.271 101 A CA -0.270 51.848 52.037 0.134 0.000 0.926 101 A CB -0.480 18.605 19.000 0.142 0.000 1.141 101 A HN 0.773 nan 8.150 nan 0.000 0.539 102 I N 3.612 124.224 120.570 0.070 0.000 2.505 102 I HA 0.028 4.199 4.170 0.001 0.000 0.287 102 I C 1.591 177.792 176.117 0.141 0.000 1.104 102 I CA 0.335 61.709 61.300 0.123 0.000 1.387 102 I CB 0.937 38.977 38.000 0.067 0.000 1.404 102 I HN 0.853 nan 8.210 nan 0.000 0.528 103 T N 0.967 115.608 114.554 0.145 0.000 3.015 103 T HA 0.201 4.552 4.350 0.001 0.000 0.250 103 T C 0.465 175.229 174.700 0.107 0.000 1.057 103 T CA -0.007 62.148 62.100 0.092 0.000 1.066 103 T CB 0.333 69.243 68.868 0.071 0.000 0.959 103 T HN 0.455 nan 8.240 nan 0.000 0.488 104 E N 0.830 121.121 120.200 0.150 0.000 2.343 104 E HA 0.609 4.960 4.350 0.001 0.000 0.278 104 E C -1.435 175.274 176.600 0.182 0.000 0.910 104 E CA -0.421 56.067 56.400 0.147 0.000 0.757 104 E CB 2.281 32.041 29.700 0.101 0.000 1.218 104 E HN 0.367 nan 8.360 nan 0.000 0.435 105 S N 2.000 117.815 115.700 0.192 0.000 2.565 105 S HA 0.706 5.177 4.470 0.001 0.000 0.269 105 S C -1.639 173.071 174.600 0.184 0.000 1.153 105 S CA -1.061 57.245 58.200 0.178 0.000 0.835 105 S CB 1.776 65.069 63.200 0.155 0.000 1.122 105 S HN 0.352 nan 8.310 nan 0.000 0.462 106 D N 0.498 120.985 120.400 0.144 0.000 2.788 106 D HA 0.469 5.110 4.640 0.001 0.000 0.247 106 D C -0.619 175.783 176.300 0.170 0.000 1.236 106 D CA -0.302 53.775 54.000 0.128 0.000 0.898 106 D CB 0.716 41.538 40.800 0.038 0.000 1.401 106 D HN 0.548 nan 8.370 nan 0.000 0.549 107 K N 2.582 123.123 120.400 0.235 0.000 3.069 107 K HA -0.236 4.084 4.320 0.001 0.000 0.267 107 K C 0.241 177.066 176.600 0.376 0.000 1.082 107 K CA 0.564 57.013 56.287 0.269 0.000 0.782 107 K CB -2.010 30.620 32.500 0.218 0.000 1.230 107 K HN 0.552 nan 8.250 nan 0.000 0.488 108 F N -0.199 119.841 119.950 0.149 0.000 2.298 108 F HA 0.246 4.774 4.527 0.001 0.000 0.282 108 F C 0.752 176.462 175.800 -0.150 0.000 1.045 108 F CA 0.078 58.113 58.000 0.059 0.000 1.280 108 F CB 0.262 39.187 39.000 -0.126 0.000 1.114 108 F HN -0.027 nan 8.300 nan 0.000 0.546 109 F N 2.825 122.729 119.950 -0.077 0.000 2.438 109 F HA 0.284 4.812 4.527 0.001 0.000 0.356 109 F C -0.054 175.619 175.800 -0.213 0.000 1.099 109 F CA -0.710 57.019 58.000 -0.451 0.000 1.185 109 F CB 0.504 39.246 39.000 -0.430 0.000 1.115 109 F HN -0.248 nan 8.300 nan 0.000 0.526 110 I N 2.994 123.362 120.570 -0.335 0.000 2.359 110 I HA 0.079 4.250 4.170 0.001 0.000 0.294 110 I C 0.225 176.023 176.117 -0.531 0.000 0.987 110 I CA -0.923 60.184 61.300 -0.322 0.000 1.225 110 I CB 1.155 38.984 38.000 -0.285 0.000 1.366 110 I HN 0.611 nan 8.210 nan 0.000 0.466 111 N N 4.084 122.218 118.700 -0.943 0.000 2.374 111 N HA 0.078 4.819 4.740 0.001 0.000 0.269 111 N C 1.133 176.330 175.510 -0.522 0.000 1.310 111 N CA 1.033 53.419 53.050 -1.107 0.000 0.877 111 N CB 0.301 37.989 38.487 -1.332 0.000 1.096 111 N HN 0.968 nan 8.380 nan 0.000 0.484 112 G N 1.608 110.170 108.800 -0.396 0.000 2.176 112 G HA2 -0.348 3.613 3.960 0.001 0.000 0.253 112 G HA3 -0.348 3.613 3.960 0.001 0.000 0.253 112 G C 0.948 175.691 174.900 -0.262 0.000 0.979 112 G CA 0.554 45.493 45.100 -0.269 0.000 0.641 112 G HN 0.742 nan 8.290 nan 0.000 0.530 113 S N 0.218 115.693 115.700 -0.375 0.000 2.406 113 S HA -0.026 4.445 4.470 0.001 0.000 0.228 113 S C 1.637 176.035 174.600 -0.336 0.000 1.020 113 S CA 1.527 59.505 58.200 -0.370 0.000 0.965 113 S CB -0.234 62.533 63.200 -0.722 0.000 0.798 113 S HN 1.178 nan 8.310 nan 0.000 0.488 114 N N 0.123 118.546 118.700 -0.461 0.000 2.984 114 N HA -0.102 4.639 4.740 0.001 0.000 0.227 114 N C -0.319 174.827 175.510 -0.605 0.000 0.903 114 N CA 1.522 54.297 53.050 -0.459 0.000 0.995 114 N CB -1.902 36.410 38.487 -0.291 0.000 1.065 114 N HN 0.872 nan 8.380 nan 0.000 0.585 115 W N 1.074 122.042 121.300 -0.552 0.000 2.512 115 W HA 0.634 5.295 4.660 0.002 0.000 0.335 115 W C 0.281 176.658 176.519 -0.237 0.000 1.088 115 W CA -0.464 56.594 57.345 -0.479 0.000 1.236 115 W CB 0.319 29.573 29.460 -0.344 0.000 1.307 115 W HN -0.103 nan 8.180 nan 0.000 0.567 116 E N 1.332 121.641 120.200 0.181 0.000 2.583 116 E HA 0.376 4.727 4.350 0.001 0.000 0.213 116 E C 0.551 177.353 176.600 0.336 0.000 0.989 116 E CA -0.082 56.365 56.400 0.077 0.000 0.991 116 E CB 1.266 30.932 29.700 -0.057 0.000 1.040 116 E HN 0.644 nan 8.360 nan 0.000 0.481 117 G N 0.468 109.574 108.800 0.511 0.000 2.495 117 G HA2 0.535 4.496 3.960 0.001 0.000 0.294 117 G HA3 0.535 4.496 3.960 0.001 0.000 0.294 117 G C -1.920 173.065 174.900 0.140 0.000 1.397 117 G CA -0.732 44.573 45.100 0.342 0.000 0.790 117 G HN 0.073 nan 8.290 nan 0.000 0.486 118 I N -0.412 120.174 120.570 0.028 0.000 2.647 118 I HA 0.697 4.868 4.170 0.001 0.000 0.295 118 I C -1.612 174.531 176.117 0.044 0.000 1.078 118 I CA -1.273 59.963 61.300 -0.108 0.000 1.048 118 I CB 2.104 40.054 38.000 -0.082 0.000 1.239 118 I HN 0.494 nan 8.210 nan 0.000 0.421 119 L N 7.789 128.982 121.223 -0.050 0.000 2.313 119 L HA 0.627 4.968 4.340 0.001 0.000 0.273 119 L C -0.006 176.804 176.870 -0.100 0.000 1.028 119 L CA -0.070 54.725 54.840 -0.075 0.000 0.871 119 L CB 0.820 42.714 42.059 -0.275 0.000 1.242 119 L HN 0.638 nan 8.230 nan 0.000 0.434 120 G N 4.897 113.693 108.800 -0.007 0.000 2.360 120 G HA2 0.364 4.325 3.960 0.001 0.000 0.279 120 G HA3 0.364 4.325 3.960 0.001 0.000 0.279 120 G C 0.444 175.316 174.900 -0.047 0.000 1.189 120 G CA -0.387 44.704 45.100 -0.015 0.000 0.941 120 G HN 0.731 nan 8.290 nan 0.000 0.445 121 L N 1.970 123.126 121.223 -0.112 0.000 2.607 121 L HA 0.263 4.604 4.340 0.001 0.000 0.228 121 L C 1.845 178.684 176.870 -0.052 0.000 1.123 121 L CA -0.131 54.609 54.840 -0.167 0.000 0.890 121 L CB -0.047 41.726 42.059 -0.477 0.000 1.103 121 L HN 0.590 nan 8.230 nan 0.000 0.468 122 A N -0.922 121.838 122.820 -0.099 0.000 2.250 122 A HA 0.426 4.747 4.320 0.001 0.000 0.283 122 A C -0.656 176.697 177.584 -0.385 0.000 1.206 122 A CA -0.245 51.551 52.037 -0.403 0.000 0.840 122 A CB 0.053 18.876 19.000 -0.296 0.000 1.220 122 A HN 0.098 nan 8.150 nan 0.000 0.505 123 Y N -1.314 118.867 120.300 -0.197 0.000 2.314 123 Y HA 0.375 4.926 4.550 0.001 0.000 0.334 123 Y C 1.697 177.579 175.900 -0.030 0.000 1.266 123 Y CA 0.297 58.355 58.100 -0.070 0.000 1.391 123 Y CB 0.678 39.104 38.460 -0.058 0.000 1.306 123 Y HN 0.675 nan 8.280 nan 0.000 0.558 124 A N 0.722 123.661 122.820 0.199 0.000 2.024 124 A HA -0.247 4.074 4.320 0.001 0.000 0.220 124 A C 2.018 179.658 177.584 0.094 0.000 1.164 124 A CA 1.911 54.019 52.037 0.119 0.000 0.643 124 A CB -0.794 18.271 19.000 0.110 0.000 0.806 124 A HN 0.970 nan 8.150 nan 0.000 0.451 125 E N 0.089 120.357 120.200 0.112 0.000 2.147 125 E HA -0.210 4.140 4.350 0.001 0.000 0.199 125 E C 1.536 178.184 176.600 0.079 0.000 1.005 125 E CA 1.650 58.106 56.400 0.095 0.000 0.810 125 E CB -0.259 29.517 29.700 0.126 0.000 0.736 125 E HN 0.853 nan 8.360 nan 0.000 0.460 126 I N -2.561 118.024 120.570 0.024 0.000 3.904 126 I HA 0.392 4.563 4.170 0.001 0.000 0.333 126 I C 0.465 176.562 176.117 -0.033 0.000 1.361 126 I CA -0.571 60.694 61.300 -0.058 0.000 1.116 126 I CB 0.419 38.217 38.000 -0.337 0.000 1.028 126 I HN -0.099 nan 8.210 nan 0.000 0.398 127 A N 1.879 124.710 122.820 0.017 0.000 2.386 127 A HA 0.604 4.924 4.320 0.001 0.000 0.248 127 A C 0.093 177.701 177.584 0.041 0.000 1.082 127 A CA -0.346 51.719 52.037 0.047 0.000 0.789 127 A CB 0.433 19.477 19.000 0.074 0.000 1.025 127 A HN 0.355 nan 8.150 nan 0.000 0.490 128 R N 1.358 121.888 120.500 0.049 0.000 2.604 128 R HA 0.383 4.723 4.340 0.001 0.000 0.287 128 R C -2.265 174.067 176.300 0.053 0.000 0.970 128 R CA -2.249 53.860 56.100 0.015 0.000 0.946 128 R CB 0.776 31.034 30.300 -0.070 0.000 1.127 128 R HN 0.423 nan 8.270 nan 0.000 0.473 129 P HA -0.082 nan 4.420 nan 0.000 0.221 129 P C -0.645 176.670 177.300 0.025 0.000 1.150 129 P CA 1.084 64.197 63.100 0.021 0.000 0.800 129 P CB 0.346 32.065 31.700 0.033 0.000 0.787 130 D N -3.650 116.772 120.400 0.037 0.000 2.713 130 D HA 0.089 4.730 4.640 0.001 0.000 0.306 130 D C -0.432 175.896 176.300 0.045 0.000 1.299 130 D CA -0.720 53.303 54.000 0.037 0.000 0.823 130 D CB -0.366 40.454 40.800 0.033 0.000 1.353 130 D HN -0.267 nan 8.370 nan 0.000 0.447 131 D N -0.820 119.606 120.400 0.044 0.000 2.390 131 D HA -0.096 4.545 4.640 0.001 0.000 0.235 131 D C 1.190 177.520 176.300 0.050 0.000 1.040 131 D CA 0.826 54.856 54.000 0.050 0.000 0.923 131 D CB -0.381 40.447 40.800 0.046 0.000 0.886 131 D HN 0.294 nan 8.370 nan 0.000 0.532 132 S N -0.840 114.888 115.700 0.046 0.000 2.558 132 S HA 0.031 4.502 4.470 0.001 0.000 0.217 132 S C 0.685 175.317 174.600 0.053 0.000 0.975 132 S CA -0.672 57.554 58.200 0.043 0.000 0.912 132 S CB -0.392 62.829 63.200 0.036 0.000 0.776 132 S HN 0.220 nan 8.310 nan 0.000 0.526 133 L N 3.217 124.480 121.223 0.065 0.000 2.312 133 L HA 0.408 4.748 4.340 0.001 0.000 0.287 133 L C 0.114 177.036 176.870 0.087 0.000 1.091 133 L CA -0.250 54.638 54.840 0.081 0.000 0.846 133 L CB 0.449 42.567 42.059 0.098 0.000 1.219 133 L HN 0.270 nan 8.230 nan 0.000 0.439 134 E N 6.623 126.869 120.200 0.077 0.000 2.493 134 E HA 0.089 4.440 4.350 0.001 0.000 0.255 134 E C -2.154 174.503 176.600 0.094 0.000 0.999 134 E CA -1.383 55.060 56.400 0.071 0.000 0.934 134 E CB 0.567 30.293 29.700 0.042 0.000 0.940 134 E HN 0.433 nan 8.360 nan 0.000 0.473 135 P HA -0.030 nan 4.420 nan 0.000 0.272 135 P C -0.044 177.331 177.300 0.125 0.000 1.230 135 P CA -0.205 62.975 63.100 0.134 0.000 0.788 135 P CB 0.393 32.162 31.700 0.114 0.000 0.949 136 F N 1.400 121.358 119.950 0.013 0.000 2.091 136 F HA -0.231 4.296 4.527 0.001 0.000 0.299 136 F C 1.985 177.736 175.800 -0.081 0.000 1.103 136 F CA 1.556 59.510 58.000 -0.078 0.000 1.228 136 F CB -0.674 38.178 39.000 -0.246 0.000 0.984 136 F HN 0.189 nan 8.300 nan 0.000 0.477 137 F N 1.361 121.269 119.950 -0.070 0.000 2.216 137 F HA -0.173 4.355 4.527 0.001 0.000 0.300 137 F C 1.970 177.662 175.800 -0.180 0.000 1.085 137 F CA 2.109 60.013 58.000 -0.160 0.000 1.326 137 F CB -0.681 38.284 39.000 -0.058 0.000 1.027 137 F HN 0.014 nan 8.300 nan 0.000 0.497 138 D N -1.123 119.265 120.400 -0.020 0.000 2.144 138 D HA -0.148 4.492 4.640 0.001 0.000 0.200 138 D C 2.408 178.599 176.300 -0.181 0.000 0.978 138 D CA 1.529 55.508 54.000 -0.034 0.000 0.833 138 D CB -0.239 40.591 40.800 0.051 0.000 0.961 138 D HN 0.131 nan 8.370 nan 0.000 0.470 139 S N 0.179 115.721 115.700 -0.263 0.000 2.355 139 S HA -0.107 4.364 4.470 0.001 0.000 0.222 139 S C 1.800 176.139 174.600 -0.435 0.000 1.031 139 S CA 0.354 58.373 58.200 -0.302 0.000 0.993 139 S CB -0.294 62.726 63.200 -0.300 0.000 0.859 139 S HN 0.193 nan 8.310 nan 0.000 0.453 140 L N 1.931 122.724 121.223 -0.718 0.000 2.042 140 L HA -0.070 4.270 4.340 0.001 0.000 0.210 140 L C 2.147 178.717 176.870 -0.499 0.000 1.076 140 L CA 1.656 56.064 54.840 -0.719 0.000 0.749 140 L CB -0.646 40.812 42.059 -1.003 0.000 0.893 140 L HN 0.128 nan 8.230 nan 0.000 0.432 141 V N -0.393 119.226 119.914 -0.491 0.000 2.358 141 V HA -0.266 3.855 4.120 0.001 0.000 0.246 141 V C 2.592 178.571 176.094 -0.191 0.000 1.047 141 V CA 2.021 64.142 62.300 -0.298 0.000 1.035 141 V CB -0.625 31.082 31.823 -0.193 0.000 0.658 141 V HN 0.456 nan 8.190 nan 0.000 0.452 142 K N -0.356 119.938 120.400 -0.178 0.000 2.097 142 K HA -0.156 4.165 4.320 0.001 0.000 0.205 142 K C 2.068 178.577 176.600 -0.152 0.000 1.050 142 K CA 1.327 57.536 56.287 -0.129 0.000 0.938 142 K CB -0.105 32.334 32.500 -0.102 0.000 0.718 142 K HN 0.528 nan 8.250 nan 0.000 0.442 143 Q N -0.029 119.656 119.800 -0.192 0.000 2.392 143 Q HA 0.004 4.345 4.340 0.001 0.000 0.203 143 Q C 0.440 176.307 176.000 -0.221 0.000 0.917 143 Q CA 0.517 56.210 55.803 -0.184 0.000 0.939 143 Q CB 0.875 29.511 28.738 -0.171 0.000 1.063 143 Q HN 0.312 nan 8.270 nan 0.000 0.516 144 T N -4.553 109.847 114.554 -0.257 0.000 2.669 144 T HA 0.266 4.617 4.350 0.001 0.000 0.283 144 T C -0.095 174.399 174.700 -0.344 0.000 1.019 144 T CA -0.761 61.162 62.100 -0.295 0.000 1.039 144 T CB 0.772 69.530 68.868 -0.182 0.000 1.374 144 T HN 0.068 nan 8.240 nan 0.000 0.523 145 H N -0.990 118.059 119.070 -0.035 0.000 2.517 145 H HA 0.475 5.032 4.556 0.001 0.000 0.282 145 H C 0.222 175.551 175.328 0.001 0.000 1.023 145 H CA -0.348 55.693 56.048 -0.012 0.000 1.169 145 H CB 0.149 29.913 29.762 0.004 0.000 1.454 145 H HN 0.239 nan 8.280 nan 0.000 0.556 146 V N 3.326 123.261 119.914 0.036 0.000 2.540 146 V HA 0.002 4.123 4.120 0.001 0.000 0.297 146 V C -1.767 174.363 176.094 0.059 0.000 1.024 146 V CA -1.358 60.968 62.300 0.043 0.000 1.105 146 V CB 0.476 32.266 31.823 -0.054 0.000 0.938 146 V HN 0.194 nan 8.190 nan 0.000 0.482 147 P HA 0.015 nan 4.420 nan 0.000 0.268 147 P C 0.004 177.423 177.300 0.198 0.000 1.208 147 P CA -0.130 63.056 63.100 0.144 0.000 0.777 147 P CB 0.295 32.090 31.700 0.158 0.000 0.875 148 N N 2.590 121.415 118.700 0.209 0.000 3.103 148 N HA 0.196 4.937 4.740 0.001 0.000 0.305 148 N C -1.003 174.715 175.510 0.347 0.000 1.232 148 N CA 0.269 53.524 53.050 0.342 0.000 1.190 148 N CB -1.168 37.468 38.487 0.248 0.000 1.461 148 N HN 0.312 nan 8.380 nan 0.000 0.538 149 L N 1.607 123.068 121.223 0.398 0.000 2.591 149 L HA 0.588 4.929 4.340 0.001 0.000 0.257 149 L C -1.834 175.161 176.870 0.208 0.000 0.935 149 L CA -0.920 54.019 54.840 0.165 0.000 0.873 149 L CB 1.047 43.145 42.059 0.065 0.000 1.397 149 L HN 0.143 nan 8.230 nan 0.000 0.414 150 F N 1.399 121.269 119.950 -0.133 0.000 2.645 150 F HA 0.908 5.436 4.527 0.002 0.000 0.310 150 F C -1.014 174.694 175.800 -0.152 0.000 1.102 150 F CA -0.485 57.416 58.000 -0.166 0.000 0.952 150 F CB 1.711 40.522 39.000 -0.316 0.000 1.326 150 F HN 0.465 nan 8.300 nan 0.000 0.456 151 S N 2.054 117.744 115.700 -0.017 0.000 2.570 151 S HA 0.883 5.354 4.470 0.001 0.000 0.286 151 S C -1.562 173.061 174.600 0.039 0.000 1.099 151 S CA -0.858 57.226 58.200 -0.193 0.000 0.913 151 S CB 1.996 64.935 63.200 -0.435 0.000 1.085 151 S HN 0.876 nan 8.310 nan 0.000 0.480 152 L N 1.496 122.709 121.223 -0.017 0.000 2.410 152 L HA 0.572 4.913 4.340 0.001 0.000 0.270 152 L C -0.630 176.327 176.870 0.145 0.000 0.983 152 L CA -0.401 54.495 54.840 0.093 0.000 0.822 152 L CB 2.188 44.306 42.059 0.098 0.000 1.285 152 L HN 0.804 nan 8.230 nan 0.000 0.409 153 Q N 4.739 124.629 119.800 0.151 0.000 2.401 153 Q HA 0.492 4.832 4.340 0.001 0.000 0.260 153 Q C -1.732 174.210 176.000 -0.096 0.000 1.034 153 Q CA -0.538 55.335 55.803 0.117 0.000 0.737 153 Q CB 1.322 30.107 28.738 0.079 0.000 1.227 153 Q HN 0.620 nan 8.270 nan 0.000 0.488 154 L N 3.060 124.157 121.223 -0.210 0.000 2.275 154 L HA 0.496 4.837 4.340 0.001 0.000 0.288 154 L C -0.601 176.051 176.870 -0.362 0.000 1.046 154 L CA -0.860 53.638 54.840 -0.571 0.000 0.805 154 L CB 1.336 42.908 42.059 -0.811 0.000 1.193 154 L HN 0.658 nan 8.230 nan 0.000 0.426 155 c N 3.113 121.539 118.600 -0.290 0.000 2.258 155 c HA 0.527 5.098 4.570 0.001 0.000 0.321 155 c C 1.008 175.134 174.090 0.061 0.000 1.168 155 c CA -0.958 55.329 56.329 -0.070 0.000 1.531 155 c CB 0.105 42.591 42.510 -0.040 0.000 2.095 155 c HN 0.929 nan 8.230 nan 0.000 0.449 156 G N 1.665 110.492 108.800 0.045 0.000 2.444 156 G HA2 0.470 4.431 3.960 0.001 0.000 0.268 156 G HA3 0.470 4.431 3.960 0.001 0.000 0.268 156 G C 0.755 175.592 174.900 -0.104 0.000 1.203 156 G CA 0.190 45.317 45.100 0.045 0.000 0.835 156 G HN 0.943 nan 8.290 nan 0.000 0.543 157 A N 0.565 123.236 122.820 -0.248 0.000 2.072 157 A HA 0.432 4.753 4.320 0.001 0.000 0.216 157 A C 2.143 179.375 177.584 -0.585 0.000 1.156 157 A CA 1.490 53.185 52.037 -0.569 0.000 0.701 157 A CB -0.440 17.953 19.000 -1.013 0.000 0.816 157 A HN 2.301 nan 8.150 nan 0.000 0.458 158 G N -2.020 106.611 108.800 -0.281 0.000 2.179 158 G HA2 -0.243 3.718 3.960 0.001 0.000 0.260 158 G HA3 -0.243 3.718 3.960 0.001 0.000 0.260 158 G C 0.114 175.123 174.900 0.182 0.000 0.977 158 G CA 0.582 45.674 45.100 -0.013 0.000 0.641 158 G HN 1.478 nan 8.290 nan 0.000 0.533 159 F N -1.736 118.264 119.950 0.082 0.000 2.686 159 F HA 0.800 5.328 4.527 0.001 0.000 0.311 159 F C -2.660 173.145 175.800 0.009 0.000 1.128 159 F CA -2.632 55.394 58.000 0.043 0.000 0.946 159 F CB 0.661 39.683 39.000 0.038 0.000 1.336 159 F HN -0.014 nan 8.300 nan 0.000 0.457 160 P HA 0.312 nan 4.420 nan 0.000 0.271 160 P C -1.153 176.257 177.300 0.183 0.000 1.216 160 P CA -0.043 63.121 63.100 0.107 0.000 0.776 160 P CB 1.564 33.297 31.700 0.055 0.000 0.881 161 L N 3.070 124.338 121.223 0.074 0.000 2.317 161 L HA 0.377 4.718 4.340 0.001 0.000 0.281 161 L C 1.385 178.290 176.870 0.058 0.000 1.024 161 L CA -0.881 54.013 54.840 0.089 0.000 0.810 161 L CB 1.197 43.264 42.059 0.015 0.000 1.240 161 L HN 0.462 nan 8.230 nan 0.000 0.427 162 N N 1.305 120.045 118.700 0.066 0.000 2.327 162 N HA 0.002 4.743 4.740 0.001 0.000 0.257 162 N C 0.429 175.957 175.510 0.030 0.000 1.281 162 N CA -0.686 52.387 53.050 0.038 0.000 0.942 162 N CB 0.912 39.421 38.487 0.036 0.000 1.199 162 N HN 0.540 nan 8.380 nan 0.000 0.532 163 Q N 0.578 120.391 119.800 0.022 0.000 2.096 163 Q HA -0.167 4.174 4.340 0.001 0.000 0.204 163 Q C 2.196 178.217 176.000 0.034 0.000 0.982 163 Q CA 1.948 57.765 55.803 0.024 0.000 0.850 163 Q CB -0.694 28.057 28.738 0.021 0.000 0.901 163 Q HN 0.742 nan 8.270 nan 0.000 0.422 164 S N -0.503 115.218 115.700 0.034 0.000 2.368 164 S HA -0.181 4.290 4.470 0.001 0.000 0.225 164 S C 1.699 176.324 174.600 0.041 0.000 1.030 164 S CA 1.492 59.714 58.200 0.036 0.000 0.999 164 S CB -0.243 62.975 63.200 0.031 0.000 0.844 164 S HN 0.537 nan 8.310 nan 0.000 0.459 165 E N 0.121 120.348 120.200 0.046 0.000 2.106 165 E HA -0.078 4.273 4.350 0.001 0.000 0.192 165 E C 2.109 178.732 176.600 0.037 0.000 0.984 165 E CA 1.366 57.798 56.400 0.054 0.000 0.806 165 E CB -0.146 29.606 29.700 0.086 0.000 0.750 165 E HN 0.487 nan 8.360 nan 0.000 0.458 166 V N 1.086 121.019 119.914 0.032 0.000 2.515 166 V HA -0.226 3.895 4.120 0.001 0.000 0.250 166 V C 2.177 178.297 176.094 0.044 0.000 1.058 166 V CA 1.348 63.660 62.300 0.021 0.000 1.064 166 V CB -0.466 31.372 31.823 0.026 0.000 0.675 166 V HN 0.246 nan 8.190 nan 0.000 0.461 167 L N 0.376 121.637 121.223 0.062 0.000 2.162 167 L HA 0.188 4.529 4.340 0.001 0.000 0.205 167 L C 1.902 178.803 176.870 0.052 0.000 1.086 167 L CA 0.772 55.663 54.840 0.085 0.000 0.778 167 L CB -0.517 41.592 42.059 0.084 0.000 0.928 167 L HN 0.292 nan 8.230 nan 0.000 0.446 168 A N 0.789 123.631 122.820 0.038 0.000 3.092 168 A HA 0.176 4.497 4.320 0.001 0.000 0.278 168 A C 1.122 178.712 177.584 0.009 0.000 1.956 168 A CA 0.009 52.061 52.037 0.025 0.000 1.501 168 A CB -0.811 18.206 19.000 0.029 0.000 0.977 168 A HN 0.373 nan 8.150 nan 0.000 0.607 169 S N -0.139 115.559 115.700 -0.004 0.000 4.339 169 S HA -0.194 4.277 4.470 0.001 0.000 0.345 169 S C 1.146 175.725 174.600 -0.035 0.000 1.725 169 S CA 1.071 59.250 58.200 -0.036 0.000 1.902 169 S CB -0.592 62.578 63.200 -0.051 0.000 0.878 169 S HN 1.783 nan 8.310 nan 0.000 0.275 170 V N -1.081 118.806 119.914 -0.046 0.000 5.497 170 V HA -0.201 3.920 4.120 0.001 0.000 0.307 170 V C 1.125 177.209 176.094 -0.015 0.000 0.438 170 V CA 1.095 63.376 62.300 -0.032 0.000 0.707 170 V CB -2.562 29.250 31.823 -0.018 0.000 0.502 170 V HN 1.159 nan 8.190 nan 0.000 1.344 171 G N -1.178 107.618 108.800 -0.008 0.000 3.141 171 G HA2 0.595 4.556 3.960 0.001 0.000 0.218 171 G HA3 0.595 4.556 3.960 0.001 0.000 0.218 171 G C 0.781 175.723 174.900 0.070 0.000 1.170 171 G CA 0.885 46.040 45.100 0.092 0.000 0.769 171 G HN 1.928 nan 8.290 nan 0.000 0.546 172 G N -1.059 107.729 108.800 -0.020 0.000 2.315 172 G HA2 0.346 4.307 3.960 0.001 0.000 0.296 172 G HA3 0.346 4.307 3.960 0.001 0.000 0.296 172 G C -1.017 173.852 174.900 -0.052 0.000 1.289 172 G CA -0.216 44.842 45.100 -0.069 0.000 0.996 172 G HN 0.754 nan 8.290 nan 0.000 0.487 173 S N -0.513 115.162 115.700 -0.041 0.000 2.540 173 S HA 0.707 5.178 4.470 0.001 0.000 0.275 173 S C -0.433 174.181 174.600 0.024 0.000 1.123 173 S CA -0.413 57.784 58.200 -0.005 0.000 0.907 173 S CB 1.786 64.989 63.200 0.006 0.000 1.081 173 S HN 0.989 nan 8.310 nan 0.000 0.476 174 M N 4.372 123.987 119.600 0.024 0.000 2.023 174 M HA 0.472 4.953 4.480 0.001 0.000 0.325 174 M C -1.707 174.622 176.300 0.049 0.000 0.963 174 M CA -0.690 54.632 55.300 0.037 0.000 0.928 174 M CB 0.162 32.753 32.600 -0.015 0.000 1.429 174 M HN 0.461 nan 8.290 nan 0.000 0.404 175 I N 6.640 127.244 120.570 0.057 0.000 2.322 175 I HA 0.244 4.414 4.170 0.001 0.000 0.292 175 I C -0.200 175.902 176.117 -0.025 0.000 1.060 175 I CA -0.315 60.960 61.300 -0.041 0.000 1.309 175 I CB 0.268 38.184 38.000 -0.141 0.000 1.415 175 I HN 0.718 nan 8.210 nan 0.000 0.492 176 I N 5.571 126.150 120.570 0.015 0.000 2.312 176 I HA 0.408 4.579 4.170 0.001 0.000 0.291 176 I C 1.164 177.339 176.117 0.095 0.000 1.031 176 I CA 0.187 61.574 61.300 0.145 0.000 1.293 176 I CB 1.020 39.128 38.000 0.179 0.000 1.403 176 I HN 0.861 nan 8.210 nan 0.000 0.484 177 G N 3.845 112.747 108.800 0.169 0.000 2.176 177 G HA2 -0.089 3.872 3.960 0.001 0.000 0.232 177 G HA3 -0.089 3.872 3.960 0.001 0.000 0.232 177 G C 0.224 175.131 174.900 0.011 0.000 0.986 177 G CA -0.276 44.912 45.100 0.147 0.000 0.643 177 G HN 1.116 nan 8.290 nan 0.000 0.522 178 G N -1.159 107.465 108.800 -0.293 0.000 2.561 178 G HA2 0.650 4.611 3.960 0.001 0.000 0.310 178 G HA3 0.650 4.611 3.960 0.001 0.000 0.310 178 G C -1.566 173.101 174.900 -0.388 0.000 1.292 178 G CA -0.424 44.436 45.100 -0.400 0.000 0.811 178 G HN 0.742 nan 8.290 nan 0.000 0.482 179 I N 0.884 121.341 120.570 -0.188 0.000 2.498 179 I HA 0.347 4.518 4.170 0.001 0.000 0.290 179 I C -1.418 174.741 176.117 0.069 0.000 1.032 179 I CA -0.659 60.631 61.300 -0.016 0.000 1.073 179 I CB 2.363 40.359 38.000 -0.007 0.000 1.251 179 I HN 0.349 nan 8.210 nan 0.000 0.426 180 D N 5.352 125.823 120.400 0.119 0.000 2.414 180 D HA 0.195 4.836 4.640 0.001 0.000 0.232 180 D C 0.872 177.140 176.300 -0.052 0.000 1.070 180 D CA -0.332 53.726 54.000 0.096 0.000 0.839 180 D CB 0.921 41.797 40.800 0.126 0.000 1.079 180 D HN 0.536 nan 8.370 nan 0.000 0.521 181 H N 1.731 120.887 119.070 0.143 0.000 2.518 181 H HA -0.105 4.451 4.556 0.001 0.000 0.292 181 H C 1.805 176.949 175.328 -0.306 0.000 1.068 181 H CA 1.174 57.157 56.048 -0.109 0.000 1.275 181 H CB 0.233 29.935 29.762 -0.101 0.000 1.375 181 H HN 0.392 nan 8.280 nan 0.000 0.563 182 S N 0.443 116.088 115.700 -0.092 0.000 2.561 182 S HA 0.016 4.487 4.470 0.001 0.000 0.225 182 S C 1.866 176.358 174.600 -0.180 0.000 0.977 182 S CA 0.101 58.228 58.200 -0.122 0.000 0.926 182 S CB -0.398 62.769 63.200 -0.057 0.000 0.769 182 S HN 0.298 nan 8.310 nan 0.000 0.533 183 L N 0.225 121.283 121.223 -0.274 0.000 2.567 183 L HA 0.327 4.668 4.340 0.001 0.000 0.225 183 L C 0.426 177.162 176.870 -0.223 0.000 1.119 183 L CA -0.197 54.425 54.840 -0.363 0.000 0.871 183 L CB -0.391 41.210 42.059 -0.764 0.000 1.036 183 L HN 0.571 nan 8.230 nan 0.000 0.459 184 Y N -2.206 117.943 120.300 -0.252 0.000 2.644 184 Y HA 0.702 5.253 4.550 0.001 0.000 0.338 184 Y C -0.342 175.563 175.900 0.008 0.000 1.119 184 Y CA -1.522 56.539 58.100 -0.066 0.000 1.060 184 Y CB 0.911 39.405 38.460 0.057 0.000 1.294 184 Y HN -0.099 nan 8.280 nan 0.000 0.472 185 T N -1.086 113.565 114.554 0.163 0.000 2.930 185 T HA 0.795 5.146 4.350 0.001 0.000 0.290 185 T C 0.394 175.217 174.700 0.206 0.000 1.052 185 T CA -0.305 61.832 62.100 0.061 0.000 1.017 185 T CB 1.096 69.994 68.868 0.051 0.000 1.137 185 T HN 2.250 nan 8.240 nan 0.000 0.511 186 G N 1.438 110.318 108.800 0.135 0.000 2.598 186 G HA2 -0.048 3.913 3.960 0.001 0.000 0.244 186 G HA3 -0.048 3.913 3.960 0.001 0.000 0.244 186 G C -0.220 174.838 174.900 0.264 0.000 1.302 186 G CA -0.257 44.949 45.100 0.177 0.000 0.903 186 G HN 1.304 nan 8.290 nan 0.000 0.575 187 S N -0.766 115.072 115.700 0.229 0.000 2.651 187 S HA 0.703 5.174 4.470 0.001 0.000 0.291 187 S C 0.264 174.905 174.600 0.068 0.000 1.141 187 S CA -0.637 57.651 58.200 0.148 0.000 1.027 187 S CB 1.666 64.861 63.200 -0.009 0.000 1.043 187 S HN 0.666 nan 8.310 nan 0.000 0.530 188 L N 1.660 122.796 121.223 -0.145 0.000 2.276 188 L HA 0.396 4.737 4.340 0.001 0.000 0.286 188 L C -1.268 175.255 176.870 -0.579 0.000 1.061 188 L CA -0.258 54.344 54.840 -0.395 0.000 0.807 188 L CB 0.589 42.340 42.059 -0.514 0.000 1.177 188 L HN 0.654 nan 8.230 nan 0.000 0.429 189 W N 2.862 123.759 121.300 -0.673 0.000 2.587 189 W HA 0.445 5.106 4.660 0.001 0.000 0.324 189 W C -0.750 175.168 176.519 -1.001 0.000 1.040 189 W CA -0.236 56.560 57.345 -0.916 0.000 1.222 189 W CB 1.196 29.747 29.460 -1.516 0.000 1.381 189 W HN 0.214 nan 8.180 nan 0.000 0.483 190 Y N 1.578 121.700 120.300 -0.296 0.000 2.360 190 Y HA 0.542 5.093 4.550 0.001 0.000 0.337 190 Y C 0.572 176.645 175.900 0.288 0.000 1.039 190 Y CA -0.740 57.345 58.100 -0.025 0.000 1.109 190 Y CB 2.123 40.543 38.460 -0.067 0.000 1.201 190 Y HN 0.150 nan 8.280 nan 0.000 0.458 191 T N 4.551 119.427 114.554 0.535 0.000 2.863 191 T HA 0.508 4.859 4.350 0.001 0.000 0.285 191 T C -2.891 171.989 174.700 0.300 0.000 1.009 191 T CA -2.666 59.718 62.100 0.473 0.000 0.989 191 T CB 1.134 70.254 68.868 0.418 0.000 1.004 191 T HN 0.235 nan 8.240 nan 0.000 0.455 192 P HA 0.279 nan 4.420 nan 0.000 0.271 192 P C -0.500 176.908 177.300 0.182 0.000 1.216 192 P CA -0.191 63.013 63.100 0.173 0.000 0.776 192 P CB 0.291 32.075 31.700 0.140 0.000 0.881 193 I N 3.746 124.424 120.570 0.180 0.000 2.379 193 I HA 0.120 4.291 4.170 0.001 0.000 0.290 193 I C 1.991 178.214 176.117 0.176 0.000 1.063 193 I CA -0.008 61.426 61.300 0.223 0.000 1.351 193 I CB 0.521 38.682 38.000 0.268 0.000 1.410 193 I HN 0.449 nan 8.210 nan 0.000 0.505 194 R N 5.613 126.230 120.500 0.196 0.000 2.073 194 R HA 0.004 4.345 4.340 0.001 0.000 0.234 194 R C 0.792 177.162 176.300 0.117 0.000 1.134 194 R CA 1.356 57.550 56.100 0.157 0.000 0.952 194 R CB 0.307 30.719 30.300 0.187 0.000 0.850 194 R HN 0.559 nan 8.270 nan 0.000 0.433 195 R N 0.158 120.759 120.500 0.168 0.000 2.604 195 R HA 0.103 4.444 4.340 0.001 0.000 0.270 195 R C -1.611 174.773 176.300 0.139 0.000 1.052 195 R CA -0.449 55.688 56.100 0.060 0.000 0.902 195 R CB 1.735 31.979 30.300 -0.092 0.000 1.233 195 R HN 0.106 nan 8.270 nan 0.000 0.455 196 E N 4.628 124.743 120.200 -0.141 0.000 1.861 196 E HA 0.094 4.444 4.350 0.001 0.000 0.263 196 E C -0.015 176.495 176.600 -0.150 0.000 1.137 196 E CA -0.026 56.031 56.400 -0.572 0.000 0.944 196 E CB 0.288 29.229 29.700 -1.266 0.000 1.092 196 E HN 0.482 nan 8.360 nan 0.000 0.420 197 W N 1.995 123.242 121.300 -0.088 0.000 4.558 197 W HA 0.186 4.846 4.660 0.001 0.000 0.167 197 W C -0.431 176.050 176.519 -0.063 0.000 3.435 197 W CA -0.219 57.099 57.345 -0.046 0.000 1.301 197 W CB -0.389 29.035 29.460 -0.060 0.000 2.030 197 W HN 0.091 nan 8.180 nan 0.000 0.464 198 Y N 0.560 120.569 120.300 -0.485 0.000 2.344 198 Y HA 0.354 4.905 4.550 0.001 0.000 0.330 198 Y C -0.187 175.617 175.900 -0.159 0.000 1.330 198 Y CA -0.415 57.424 58.100 -0.434 0.000 1.479 198 Y CB 0.141 38.188 38.460 -0.688 0.000 1.428 198 Y HN -0.162 nan 8.280 nan 0.000 0.544 199 Y N 1.033 121.504 120.300 0.286 0.000 2.632 199 Y HA 0.130 4.681 4.550 0.001 0.000 0.336 199 Y C 0.284 176.337 175.900 0.256 0.000 1.237 199 Y CA -0.338 57.963 58.100 0.334 0.000 1.595 199 Y CB -0.102 38.582 38.460 0.372 0.000 1.508 199 Y HN 0.402 nan 8.280 nan 0.000 0.480 200 E N 2.962 123.379 120.200 0.361 0.000 2.283 200 E HA 0.486 4.837 4.350 0.001 0.000 0.278 200 E C -0.824 175.943 176.600 0.278 0.000 1.027 200 E CA -0.588 55.998 56.400 0.310 0.000 0.843 200 E CB 0.916 30.892 29.700 0.460 0.000 1.062 200 E HN 0.421 nan 8.360 nan 0.000 0.401 201 V N 1.497 121.538 119.914 0.212 0.000 3.158 201 V HA 0.636 4.757 4.120 0.001 0.000 0.311 201 V C -0.526 175.646 176.094 0.130 0.000 1.181 201 V CA -1.009 61.393 62.300 0.170 0.000 1.054 201 V CB 1.669 33.581 31.823 0.148 0.000 1.085 201 V HN 0.627 nan 8.190 nan 0.000 0.446 202 I N 1.675 122.301 120.570 0.094 0.000 2.410 202 I HA 0.488 4.659 4.170 0.001 0.000 0.286 202 I C -0.776 175.351 176.117 0.017 0.000 1.009 202 I CA -0.394 60.953 61.300 0.079 0.000 1.111 202 I CB 1.801 39.856 38.000 0.092 0.000 1.262 202 I HN 0.498 nan 8.210 nan 0.000 0.443 203 I N 6.608 127.191 120.570 0.021 0.000 2.365 203 I HA 0.131 4.302 4.170 0.001 0.000 0.291 203 I C 1.108 177.252 176.117 0.045 0.000 1.004 203 I CA -0.272 61.002 61.300 -0.043 0.000 1.311 203 I CB 1.684 39.641 38.000 -0.072 0.000 1.401 203 I HN 0.489 nan 8.210 nan 0.000 0.491 204 V N 2.706 122.619 119.914 -0.002 0.000 3.605 204 V HA 0.422 4.543 4.120 0.001 0.000 0.284 204 V C 0.449 176.560 176.094 0.028 0.000 1.386 204 V CA 0.000 62.331 62.300 0.050 0.000 1.053 204 V CB -0.139 31.688 31.823 0.006 0.000 0.857 204 V HN 0.881 nan 8.190 nan 0.000 0.436 205 R N -0.406 120.024 120.500 -0.117 0.000 2.664 205 R HA 0.652 4.992 4.340 0.001 0.000 0.260 205 R C -2.542 173.535 176.300 -0.371 0.000 1.062 205 R CA -0.362 55.591 56.100 -0.246 0.000 0.902 205 R CB 2.522 32.478 30.300 -0.574 0.000 1.258 205 R HN 0.039 nan 8.270 nan 0.000 0.465 206 V N 2.755 122.406 119.914 -0.439 0.000 2.638 206 V HA 0.479 4.600 4.120 0.001 0.000 0.306 206 V C -0.738 175.272 176.094 -0.140 0.000 1.052 206 V CA -0.710 61.383 62.300 -0.345 0.000 0.885 206 V CB 1.999 33.470 31.823 -0.586 0.000 0.999 206 V HN 0.784 nan 8.190 nan 0.000 0.424 207 E N 4.150 124.319 120.200 -0.051 0.000 2.277 207 E HA 0.630 4.980 4.350 0.001 0.000 0.266 207 E C -1.451 175.143 176.600 -0.009 0.000 0.901 207 E CA -0.865 55.526 56.400 -0.014 0.000 0.782 207 E CB 2.649 32.374 29.700 0.041 0.000 1.228 207 E HN 0.361 nan 8.360 nan 0.000 0.424 208 I N 2.511 123.083 120.570 0.004 0.000 2.411 208 I HA 0.179 4.350 4.170 0.001 0.000 0.284 208 I C 0.116 176.260 176.117 0.045 0.000 1.012 208 I CA -0.351 60.965 61.300 0.028 0.000 1.119 208 I CB 0.638 38.649 38.000 0.018 0.000 1.261 208 I HN 0.765 nan 8.210 nan 0.000 0.448 209 N N 4.693 123.436 118.700 0.071 0.000 2.727 209 N HA -0.247 4.494 4.740 0.001 0.000 0.249 209 N C 1.189 176.726 175.510 0.044 0.000 1.048 209 N CA 0.648 53.740 53.050 0.070 0.000 0.714 209 N CB -0.330 38.203 38.487 0.076 0.000 0.959 209 N HN 1.151 nan 8.380 nan 0.000 0.544 210 G N -0.207 108.615 108.800 0.037 0.000 2.245 210 G HA2 -0.394 3.566 3.960 0.001 0.000 0.264 210 G HA3 -0.394 3.566 3.960 0.001 0.000 0.264 210 G C -0.091 174.814 174.900 0.008 0.000 0.985 210 G CA 0.758 45.874 45.100 0.026 0.000 0.625 210 G HN 0.627 nan 8.290 nan 0.000 0.536 211 Q N 1.054 120.857 119.800 0.006 0.000 2.294 211 Q HA 0.445 4.785 4.340 0.001 0.000 0.257 211 Q C -0.327 175.661 176.000 -0.019 0.000 0.955 211 Q CA -0.593 55.205 55.803 -0.007 0.000 0.936 211 Q CB 0.585 29.322 28.738 -0.003 0.000 1.188 211 Q HN 0.237 nan 8.270 nan 0.000 0.420 212 D N 3.613 123.991 120.400 -0.035 0.000 2.458 212 D HA -0.074 4.566 4.640 0.001 0.000 0.243 212 D C 0.581 176.872 176.300 -0.014 0.000 1.146 212 D CA -0.009 53.964 54.000 -0.046 0.000 0.877 212 D CB 0.945 41.705 40.800 -0.067 0.000 1.176 212 D HN 0.618 nan 8.370 nan 0.000 0.461 213 L N 3.973 125.203 121.223 0.012 0.000 2.275 213 L HA 0.004 4.345 4.340 0.001 0.000 0.215 213 L C 1.502 178.407 176.870 0.060 0.000 1.119 213 L CA 1.049 55.920 54.840 0.052 0.000 0.790 213 L CB -0.847 41.281 42.059 0.116 0.000 0.919 213 L HN 0.776 nan 8.230 nan 0.000 0.443 214 K N -0.284 120.151 120.400 0.060 0.000 3.148 214 K HA -0.241 4.080 4.320 0.001 0.000 0.267 214 K C -0.180 176.415 176.600 -0.008 0.000 0.996 214 K CA 0.429 56.727 56.287 0.019 0.000 0.737 214 K CB -0.914 31.578 32.500 -0.014 0.000 1.308 214 K HN 0.310 nan 8.250 nan 0.000 0.470 215 M N 0.280 119.872 119.600 -0.013 0.000 2.613 215 M HA 0.166 4.647 4.480 0.001 0.000 0.301 215 M C 0.204 176.331 176.300 -0.289 0.000 1.205 215 M CA -0.865 54.328 55.300 -0.179 0.000 0.950 215 M CB 0.808 33.239 32.600 -0.282 0.000 1.585 215 M HN 0.091 nan 8.290 nan 0.000 0.490 216 D N 0.854 121.088 120.400 -0.277 0.000 2.434 216 D HA 0.007 4.648 4.640 0.001 0.000 0.252 216 D C 1.064 177.125 176.300 -0.399 0.000 1.185 216 D CA -0.309 53.549 54.000 -0.237 0.000 0.886 216 D CB 0.948 41.646 40.800 -0.170 0.000 1.148 216 D HN 0.776 nan 8.370 nan 0.000 0.483 217 C N 3.866 123.003 119.300 -0.271 0.000 2.401 217 C HA -0.079 4.382 4.460 0.001 0.000 0.286 217 C C 2.010 176.911 174.990 -0.148 0.000 1.332 217 C CA 0.146 59.028 59.018 -0.227 0.000 1.795 217 C CB -0.750 27.026 27.740 0.060 0.000 1.922 217 C HN 0.633 nan 8.230 nan 0.000 0.520 218 K N 0.931 121.271 120.400 -0.099 0.000 2.280 218 K HA -0.089 4.231 4.320 0.001 0.000 0.202 218 K C 2.087 178.680 176.600 -0.010 0.000 1.047 218 K CA 1.281 57.578 56.287 0.016 0.000 0.942 218 K CB -0.171 32.362 32.500 0.055 0.000 0.739 218 K HN 0.595 nan 8.250 nan 0.000 0.457 219 E N 0.290 120.372 120.200 -0.197 0.000 2.150 219 E HA -0.161 4.190 4.350 0.001 0.000 0.193 219 E C 1.816 178.411 176.600 -0.009 0.000 0.985 219 E CA 1.235 57.534 56.400 -0.169 0.000 0.814 219 E CB -0.217 29.302 29.700 -0.301 0.000 0.752 219 E HN 0.551 nan 8.360 nan 0.000 0.466 220 Y N 0.866 121.194 120.300 0.047 0.000 2.352 220 Y HA -0.037 4.514 4.550 0.001 0.000 0.292 220 Y C 1.492 177.422 175.900 0.049 0.000 1.136 220 Y CA 0.374 58.496 58.100 0.037 0.000 1.227 220 Y CB 0.139 38.605 38.460 0.008 0.000 0.991 220 Y HN 0.016 nan 8.280 nan 0.000 0.545 221 N N -0.863 117.966 118.700 0.215 0.000 2.282 221 N HA -0.042 4.699 4.740 0.001 0.000 0.240 221 N C -0.713 174.879 175.510 0.135 0.000 1.182 221 N CA -0.179 52.970 53.050 0.165 0.000 0.874 221 N CB 0.066 38.663 38.487 0.184 0.000 1.126 221 N HN 0.175 nan 8.380 nan 0.000 0.516 222 Y N 2.949 123.212 120.300 -0.060 0.000 2.802 222 Y HA -0.067 4.484 4.550 0.001 0.000 0.351 222 Y C 1.073 176.756 175.900 -0.362 0.000 1.237 222 Y CA 0.634 58.575 58.100 -0.266 0.000 1.599 222 Y CB -0.478 37.854 38.460 -0.214 0.000 1.214 222 Y HN 0.368 nan 8.280 nan 0.000 0.520 223 D N 1.912 121.795 120.400 -0.862 0.000 3.402 223 D HA -0.218 4.423 4.640 0.001 0.000 0.226 223 D C -0.936 175.360 176.300 -0.007 0.000 0.952 223 D CA 1.826 55.444 54.000 -0.637 0.000 2.153 223 D CB -1.173 39.221 40.800 -0.676 0.000 1.235 223 D HN 0.744 nan 8.370 nan 0.000 0.550 224 K N -1.133 119.246 120.400 -0.034 0.000 2.685 224 K HA 0.671 4.992 4.320 0.001 0.000 0.290 224 K C -1.818 174.789 176.600 0.011 0.000 1.018 224 K CA -0.810 55.530 56.287 0.088 0.000 0.860 224 K CB 1.533 34.112 32.500 0.130 0.000 1.498 224 K HN 0.045 nan 8.250 nan 0.000 0.390 225 S N 1.201 116.934 115.700 0.056 0.000 2.561 225 S HA 0.672 5.143 4.470 0.001 0.000 0.303 225 S C -0.572 174.049 174.600 0.036 0.000 1.110 225 S CA -0.828 57.390 58.200 0.030 0.000 1.034 225 S CB 0.498 63.735 63.200 0.062 0.000 1.010 225 S HN 0.568 nan 8.310 nan 0.000 0.482 226 I N -0.479 120.087 120.570 -0.006 0.000 3.042 226 I HA 0.790 4.961 4.170 0.001 0.000 0.310 226 I C -1.295 174.885 176.117 0.105 0.000 1.117 226 I CA -1.259 60.069 61.300 0.046 0.000 1.003 226 I CB 1.858 39.807 38.000 -0.085 0.000 1.228 226 I HN 0.244 nan 8.210 nan 0.000 0.443 227 V N 2.631 122.672 119.914 0.213 0.000 2.350 227 V HA 0.400 4.521 4.120 0.001 0.000 0.276 227 V C -0.963 175.275 176.094 0.240 0.000 1.028 227 V CA 0.086 62.527 62.300 0.235 0.000 0.860 227 V CB 0.931 32.921 31.823 0.278 0.000 0.990 227 V HN 0.749 nan 8.190 nan 0.000 0.453 228 D N 2.947 123.439 120.400 0.154 0.000 2.402 228 D HA 0.213 4.854 4.640 0.001 0.000 0.252 228 D C 1.027 177.372 176.300 0.074 0.000 1.294 228 D CA -0.130 53.935 54.000 0.108 0.000 0.948 228 D CB 1.871 42.706 40.800 0.058 0.000 1.202 228 D HN 0.465 nan 8.370 nan 0.000 0.561 229 S N 1.322 117.053 115.700 0.052 0.000 2.555 229 S HA 0.023 4.494 4.470 0.001 0.000 0.230 229 S C 1.748 176.359 174.600 0.019 0.000 0.978 229 S CA 0.526 58.748 58.200 0.036 0.000 0.934 229 S CB 0.088 63.280 63.200 -0.013 0.000 0.766 229 S HN 0.398 nan 8.310 nan 0.000 0.533 230 G N 0.659 109.455 108.800 -0.007 0.000 2.985 230 G HA2 0.345 4.306 3.960 0.001 0.000 0.209 230 G HA3 0.345 4.306 3.960 0.001 0.000 0.209 230 G C 0.081 174.970 174.900 -0.018 0.000 1.165 230 G CA 0.068 45.144 45.100 -0.041 0.000 0.776 230 G HN 0.522 nan 8.290 nan 0.000 0.541 231 T N -1.076 113.485 114.554 0.011 0.000 2.893 231 T HA 0.411 4.762 4.350 0.001 0.000 0.291 231 T C 1.033 175.756 174.700 0.038 0.000 1.028 231 T CA -0.451 61.657 62.100 0.013 0.000 0.995 231 T CB 2.073 70.941 68.868 -0.001 0.000 1.051 231 T HN -0.101 nan 8.240 nan 0.000 0.470 232 T N 1.950 116.526 114.554 0.035 0.000 2.735 232 T HA 0.016 4.367 4.350 0.001 0.000 0.256 232 T C 1.017 175.743 174.700 0.043 0.000 1.042 232 T CA 0.857 62.986 62.100 0.049 0.000 1.147 232 T CB -0.179 68.712 68.868 0.037 0.000 0.865 232 T HN 0.458 nan 8.240 nan 0.000 0.421 233 N N 1.397 120.107 118.700 0.016 0.000 2.408 233 N HA 0.341 5.082 4.740 0.001 0.000 0.260 233 N C -0.632 174.878 175.510 0.001 0.000 1.242 233 N CA -0.667 52.381 53.050 -0.004 0.000 0.959 233 N CB 0.213 38.677 38.487 -0.039 0.000 1.201 233 N HN 0.121 nan 8.380 nan 0.000 0.511 234 L N 0.829 122.043 121.223 -0.015 0.000 2.278 234 L HA 0.316 4.657 4.340 0.001 0.000 0.287 234 L C -0.281 176.580 176.870 -0.016 0.000 1.072 234 L CA -0.026 54.812 54.840 -0.005 0.000 0.819 234 L CB -0.015 42.036 42.059 -0.013 0.000 1.176 234 L HN 0.353 nan 8.230 nan 0.000 0.435 235 R N 5.962 126.455 120.500 -0.011 0.000 2.460 235 R HA 0.729 5.070 4.340 0.001 0.000 0.303 235 R C -1.229 175.080 176.300 0.014 0.000 0.968 235 R CA -0.750 55.339 56.100 -0.019 0.000 0.889 235 R CB 1.440 31.711 30.300 -0.049 0.000 1.123 235 R HN 0.619 nan 8.270 nan 0.000 0.455 236 L N 3.342 124.601 121.223 0.060 0.000 2.362 236 L HA 0.520 4.861 4.340 0.001 0.000 0.271 236 L C -2.361 174.577 176.870 0.112 0.000 1.002 236 L CA -2.768 52.142 54.840 0.117 0.000 0.818 236 L CB 2.296 44.486 42.059 0.218 0.000 1.298 236 L HN 0.275 nan 8.230 nan 0.000 0.420 237 P HA -0.012 nan 4.420 nan 0.000 0.267 237 P C 0.285 177.684 177.300 0.164 0.000 1.200 237 P CA -0.098 63.075 63.100 0.121 0.000 0.772 237 P CB 0.704 32.510 31.700 0.175 0.000 0.855 238 K N 3.171 123.653 120.400 0.137 0.000 2.049 238 K HA -0.293 4.028 4.320 0.001 0.000 0.219 238 K C 1.577 178.291 176.600 0.190 0.000 1.056 238 K CA 2.114 58.496 56.287 0.159 0.000 0.946 238 K CB -0.202 32.364 32.500 0.110 0.000 0.723 238 K HN 0.274 nan 8.250 nan 0.000 0.453 239 K N -0.076 120.398 120.400 0.124 0.000 2.063 239 K HA -0.143 4.177 4.320 0.001 0.000 0.208 239 K C 2.047 178.707 176.600 0.100 0.000 1.048 239 K CA 1.741 58.075 56.287 0.079 0.000 0.928 239 K CB -0.077 32.428 32.500 0.009 0.000 0.713 239 K HN 0.057 nan 8.250 nan 0.000 0.442 240 V N 0.884 120.883 119.914 0.142 0.000 2.358 240 V HA -0.225 3.896 4.120 0.001 0.000 0.246 240 V C 1.946 178.138 176.094 0.163 0.000 1.047 240 V CA 1.596 64.000 62.300 0.174 0.000 1.035 240 V CB -0.542 31.430 31.823 0.249 0.000 0.658 240 V HN 0.231 nan 8.190 nan 0.000 0.452 241 F N 1.433 121.424 119.950 0.070 0.000 2.095 241 F HA -0.199 4.329 4.527 0.001 0.000 0.298 241 F C 2.397 178.238 175.800 0.067 0.000 1.104 241 F CA 2.228 60.270 58.000 0.071 0.000 1.232 241 F CB -0.289 38.754 39.000 0.072 0.000 0.987 241 F HN 0.175 nan 8.300 nan 0.000 0.475 242 E N 0.090 120.334 120.200 0.074 0.000 2.118 242 E HA -0.216 4.135 4.350 0.001 0.000 0.195 242 E C 2.326 178.850 176.600 -0.125 0.000 0.992 242 E CA 1.099 57.468 56.400 -0.051 0.000 0.804 242 E CB -0.404 29.338 29.700 0.072 0.000 0.741 242 E HN 0.530 nan 8.360 nan 0.000 0.458 243 A N 1.171 123.956 122.820 -0.059 0.000 1.898 243 A HA -0.047 4.274 4.320 0.001 0.000 0.216 243 A C 2.344 179.872 177.584 -0.095 0.000 1.181 243 A CA 1.484 53.487 52.037 -0.056 0.000 0.620 243 A CB -0.567 18.434 19.000 0.001 0.000 0.819 243 A HN 0.298 nan 8.150 nan 0.000 0.442 244 A N -0.432 122.324 122.820 -0.107 0.000 1.858 244 A HA -0.035 4.286 4.320 0.001 0.000 0.216 244 A C 2.222 179.695 177.584 -0.184 0.000 1.190 244 A CA 1.854 53.821 52.037 -0.117 0.000 0.617 244 A CB -1.082 17.862 19.000 -0.094 0.000 0.827 244 A HN 0.400 nan 8.150 nan 0.000 0.443 245 V N 0.310 120.018 119.914 -0.344 0.000 2.332 245 V HA -0.300 3.820 4.120 0.001 0.000 0.248 245 V C 2.560 178.398 176.094 -0.426 0.000 1.055 245 V CA 2.498 64.543 62.300 -0.425 0.000 1.038 245 V CB -0.691 30.758 31.823 -0.622 0.000 0.651 245 V HN 0.710 nan 8.190 nan 0.000 0.450 246 K N -0.225 119.989 120.400 -0.309 0.000 2.032 246 K HA -0.212 4.109 4.320 0.001 0.000 0.209 246 K C 2.471 178.951 176.600 -0.201 0.000 1.048 246 K CA 1.898 58.036 56.287 -0.249 0.000 0.927 246 K CB -0.332 32.072 32.500 -0.161 0.000 0.712 246 K HN 0.385 nan 8.250 nan 0.000 0.441 247 S N 0.096 115.709 115.700 -0.144 0.000 2.387 247 S HA -0.006 4.465 4.470 0.001 0.000 0.226 247 S C 1.834 176.397 174.600 -0.061 0.000 1.026 247 S CA 0.818 58.967 58.200 -0.085 0.000 0.972 247 S CB -0.176 62.994 63.200 -0.050 0.000 0.814 247 S HN 0.327 nan 8.310 nan 0.000 0.477 248 I N 1.007 121.535 120.570 -0.070 0.000 2.315 248 I HA -0.149 4.022 4.170 0.001 0.000 0.248 248 I C 2.518 178.637 176.117 0.003 0.000 1.117 248 I CA 1.083 62.416 61.300 0.056 0.000 1.404 248 I CB -0.211 37.895 38.000 0.176 0.000 1.071 248 I HN 0.229 nan 8.210 nan 0.000 0.419 249 K N 0.870 121.085 120.400 -0.309 0.000 2.026 249 K HA -0.156 4.165 4.320 0.001 0.000 0.208 249 K C 2.284 178.821 176.600 -0.104 0.000 1.048 249 K CA 1.575 57.657 56.287 -0.343 0.000 0.929 249 K CB -0.268 31.867 32.500 -0.609 0.000 0.713 249 K HN 0.300 nan 8.250 nan 0.000 0.439 250 A N 1.335 124.090 122.820 -0.109 0.000 1.902 250 A HA -0.129 4.192 4.320 0.001 0.000 0.217 250 A C 2.318 179.888 177.584 -0.024 0.000 1.181 250 A CA 1.897 53.897 52.037 -0.062 0.000 0.623 250 A CB -0.660 18.303 19.000 -0.062 0.000 0.818 250 A HN 0.356 nan 8.150 nan 0.000 0.443 251 A N -0.035 122.786 122.820 0.003 0.000 2.015 251 A HA 0.016 4.337 4.320 0.001 0.000 0.219 251 A C 2.130 179.719 177.584 0.008 0.000 1.163 251 A CA 1.904 53.956 52.037 0.025 0.000 0.646 251 A CB -0.570 18.473 19.000 0.071 0.000 0.806 251 A HN 1.034 nan 8.150 nan 0.000 0.448 252 S N -0.378 115.333 115.700 0.019 0.000 2.575 252 S HA 0.088 4.559 4.470 0.001 0.000 0.237 252 S C 1.387 175.977 174.600 -0.017 0.000 0.975 252 S CA 0.602 58.769 58.200 -0.055 0.000 0.960 252 S CB -0.400 62.738 63.200 -0.103 0.000 0.822 252 S HN 0.712 nan 8.310 nan 0.000 0.472 253 S N 2.227 117.915 115.700 -0.020 0.000 2.440 253 S HA -0.199 4.272 4.470 0.001 0.000 0.240 253 S C 1.929 176.480 174.600 -0.082 0.000 1.014 253 S CA 1.602 59.776 58.200 -0.044 0.000 0.980 253 S CB -1.749 61.425 63.200 -0.043 0.000 0.775 253 S HN 0.806 nan 8.310 nan 0.000 0.499 254 T N -1.046 113.459 114.554 -0.082 0.000 3.077 254 T HA 0.082 4.433 4.350 0.001 0.000 0.269 254 T C 0.317 174.947 174.700 -0.117 0.000 1.146 254 T CA 0.610 62.659 62.100 -0.084 0.000 1.091 254 T CB -0.419 68.408 68.868 -0.068 0.000 0.892 254 T HN 0.613 nan 8.240 nan 0.000 0.533 255 E N 0.441 120.527 120.200 -0.190 0.000 2.278 255 E HA 0.374 4.725 4.350 0.001 0.000 0.272 255 E C -0.980 175.186 176.600 -0.724 0.000 0.890 255 E CA -1.001 55.184 56.400 -0.357 0.000 0.770 255 E CB 1.380 30.939 29.700 -0.234 0.000 1.212 255 E HN 0.038 nan 8.360 nan 0.000 0.415 256 K N 2.302 122.311 120.400 -0.652 0.000 2.098 256 K HA 0.563 4.884 4.320 0.001 0.000 0.258 256 K C -0.636 175.464 176.600 -0.834 0.000 0.973 256 K CA -0.330 55.619 56.287 -0.562 0.000 0.898 256 K CB 0.785 33.158 32.500 -0.212 0.000 1.057 256 K HN 0.347 nan 8.250 nan 0.000 0.447 257 F N 1.336 121.363 119.950 0.130 0.000 2.588 257 F HA 0.334 4.862 4.527 0.001 0.000 0.310 257 F C -1.840 174.030 175.800 0.117 0.000 1.082 257 F CA -2.168 55.822 58.000 -0.017 0.000 0.929 257 F CB 1.505 40.318 39.000 -0.312 0.000 1.254 257 F HN 0.343 nan 8.300 nan 0.000 0.455 258 P HA 0.046 nan 4.420 nan 0.000 0.267 258 P C -0.223 177.265 177.300 0.313 0.000 1.200 258 P CA 0.064 63.290 63.100 0.210 0.000 0.772 258 P CB 1.032 32.810 31.700 0.130 0.000 0.855 259 D N 1.915 122.494 120.400 0.298 0.000 2.228 259 D HA -0.112 4.529 4.640 0.001 0.000 0.203 259 D C 2.202 178.676 176.300 0.290 0.000 0.988 259 D CA 1.817 56.029 54.000 0.352 0.000 0.864 259 D CB -0.630 40.311 40.800 0.235 0.000 0.928 259 D HN 0.635 nan 8.370 nan 0.000 0.469 260 G N -0.402 108.523 108.800 0.208 0.000 2.448 260 G HA2 -0.273 3.688 3.960 0.001 0.000 0.219 260 G HA3 -0.273 3.688 3.960 0.001 0.000 0.219 260 G C 1.358 176.350 174.900 0.153 0.000 1.127 260 G CA 0.247 45.443 45.100 0.161 0.000 0.766 260 G HN 0.266 nan 8.290 nan 0.000 0.552 261 F N 0.465 120.396 119.950 -0.032 0.000 2.084 261 F HA 0.038 4.566 4.527 0.001 0.000 0.296 261 F C 2.223 177.886 175.800 -0.229 0.000 1.111 261 F CA 0.946 58.813 58.000 -0.222 0.000 1.224 261 F CB -0.453 38.250 39.000 -0.496 0.000 0.991 261 F HN 0.220 nan 8.300 nan 0.000 0.471 262 W N 0.551 121.782 121.300 -0.116 0.000 2.468 262 W HA -0.048 4.613 4.660 0.002 0.000 0.262 262 W C 1.846 178.419 176.519 0.090 0.000 1.241 262 W CA 0.470 57.646 57.345 -0.281 0.000 1.232 262 W CB -0.519 28.870 29.460 -0.118 0.000 1.124 262 W HN 0.021 nan 8.180 nan 0.000 0.597 263 L N 0.171 121.560 121.223 0.277 0.000 2.591 263 L HA 0.253 4.594 4.340 0.001 0.000 0.228 263 L C 1.981 178.962 176.870 0.185 0.000 1.133 263 L CA 0.699 55.698 54.840 0.265 0.000 0.880 263 L CB -0.829 41.343 42.059 0.188 0.000 1.033 263 L HN 0.243 nan 8.230 nan 0.000 0.450 264 G N 0.155 109.034 108.800 0.132 0.000 2.162 264 G HA2 -0.304 3.656 3.960 0.001 0.000 0.260 264 G HA3 -0.304 3.656 3.960 0.001 0.000 0.260 264 G C 0.760 175.693 174.900 0.056 0.000 0.976 264 G CA 0.699 45.847 45.100 0.081 0.000 0.655 264 G HN 0.473 nan 8.290 nan 0.000 0.533 265 E N -0.216 120.023 120.200 0.065 0.000 2.075 265 E HA 0.061 4.411 4.350 0.001 0.000 0.190 265 E C 1.499 178.139 176.600 0.067 0.000 0.969 265 E CA 1.079 57.517 56.400 0.064 0.000 0.815 265 E CB 0.021 29.763 29.700 0.070 0.000 0.776 265 E HN 0.833 nan 8.360 nan 0.000 0.457 266 Q N 1.485 121.338 119.800 0.087 0.000 2.306 266 Q HA 0.425 4.766 4.340 0.001 0.000 0.265 266 Q C -0.144 175.943 176.000 0.146 0.000 1.022 266 Q CA -0.772 55.087 55.803 0.094 0.000 0.853 266 Q CB 1.550 30.338 28.738 0.085 0.000 1.327 266 Q HN 0.133 nan 8.270 nan 0.000 0.449 267 L N -0.158 121.123 121.223 0.097 0.000 2.456 267 L HA 0.737 5.078 4.340 0.001 0.000 0.257 267 L C -0.793 176.079 176.870 0.004 0.000 1.162 267 L CA -1.047 53.854 54.840 0.102 0.000 0.808 267 L CB 1.037 43.117 42.059 0.035 0.000 1.136 267 L HN 0.488 nan 8.230 nan 0.000 0.466 268 V N 0.573 120.424 119.914 -0.105 0.000 2.680 268 V HA 0.475 4.596 4.120 0.001 0.000 0.309 268 V C -0.293 175.527 176.094 -0.456 0.000 1.052 268 V CA -0.325 61.694 62.300 -0.468 0.000 0.908 268 V CB 1.815 33.018 31.823 -1.033 0.000 1.001 268 V HN 1.023 nan 8.190 nan 0.000 0.431 269 C N 3.689 122.645 119.300 -0.573 0.000 2.707 269 C HA 0.738 5.199 4.460 0.001 0.000 0.313 269 C C -0.910 173.749 174.990 -0.551 0.000 1.209 269 C CA -0.938 57.852 59.018 -0.380 0.000 1.635 269 C CB 1.722 29.346 27.740 -0.194 0.000 2.206 269 C HN 0.862 nan 8.230 nan 0.000 0.485 270 W N 0.885 122.199 121.300 0.023 0.000 3.033 270 W HA 0.412 5.073 4.660 0.001 0.000 0.336 270 W C -0.272 176.252 176.519 0.009 0.000 1.173 270 W CA -0.447 56.906 57.345 0.014 0.000 1.185 270 W CB 1.303 30.765 29.460 0.003 0.000 1.425 270 W HN 0.732 nan 8.180 nan 0.000 0.536 271 Q N 1.666 121.607 119.800 0.235 0.000 2.349 271 Q HA 0.327 4.668 4.340 0.001 0.000 0.287 271 Q C 0.480 176.561 176.000 0.136 0.000 1.044 271 Q CA 0.156 56.040 55.803 0.134 0.000 0.918 271 Q CB 0.923 29.723 28.738 0.103 0.000 1.242 271 Q HN 0.461 nan 8.270 nan 0.000 0.405 272 A N 3.150 126.024 122.820 0.089 0.000 2.592 272 A HA 0.209 4.530 4.320 0.001 0.000 0.250 272 A C 1.284 178.916 177.584 0.081 0.000 1.017 272 A CA 0.945 53.028 52.037 0.076 0.000 0.794 272 A CB -1.129 17.895 19.000 0.040 0.000 0.917 272 A HN 1.470 nan 8.150 nan 0.000 0.515 273 G N 1.766 110.625 108.800 0.099 0.000 2.212 273 G HA2 -0.294 3.667 3.960 0.001 0.000 0.266 273 G HA3 -0.294 3.667 3.960 0.001 0.000 0.266 273 G C 0.966 175.907 174.900 0.067 0.000 0.978 273 G CA 1.390 46.547 45.100 0.095 0.000 0.632 273 G HN 2.262 nan 8.290 nan 0.000 0.537 274 T N -1.175 113.408 114.554 0.048 0.000 3.163 274 T HA 0.392 4.743 4.350 0.001 0.000 0.252 274 T C 0.928 175.458 174.700 -0.285 0.000 1.056 274 T CA 0.937 63.015 62.100 -0.036 0.000 0.947 274 T CB 0.060 68.948 68.868 0.032 0.000 1.016 274 T HN 0.418 nan 8.240 nan 0.000 0.554 275 T N 5.986 120.297 114.554 -0.404 0.000 2.822 275 T HA 0.132 4.483 4.350 0.001 0.000 0.288 275 T C -2.132 171.877 174.700 -1.151 0.000 0.991 275 T CA -0.535 60.885 62.100 -1.133 0.000 1.176 275 T CB 0.570 68.649 68.868 -1.315 0.000 0.951 275 T HN 0.285 nan 8.240 nan 0.000 0.526 276 P HA 0.120 nan 4.420 nan 0.000 0.225 276 P C 0.261 177.378 177.300 -0.304 0.000 1.813 276 P CA -0.424 62.345 63.100 -0.552 0.000 1.013 276 P CB -0.251 31.197 31.700 -0.419 0.000 1.961 277 W N 2.432 123.655 121.300 -0.128 0.000 2.305 277 W HA -0.306 4.355 4.660 0.001 0.000 0.308 277 W C 2.217 178.789 176.519 0.087 0.000 1.226 277 W CA 1.658 58.994 57.345 -0.016 0.000 1.253 277 W CB -1.525 27.911 29.460 -0.040 0.000 1.146 277 W HN 0.301 nan 8.180 nan 0.000 0.507 278 N N 1.662 120.510 118.700 0.247 0.000 2.272 278 N HA -0.233 4.508 4.740 0.001 0.000 0.185 278 N C 1.432 176.994 175.510 0.086 0.000 1.014 278 N CA 2.228 55.358 53.050 0.132 0.000 0.870 278 N CB -1.090 37.401 38.487 0.005 0.000 0.975 278 N HN 0.452 nan 8.380 nan 0.000 0.433 279 I N -4.025 116.564 120.570 0.031 0.000 2.761 279 I HA 0.186 4.357 4.170 0.001 0.000 0.261 279 I C -0.288 175.774 176.117 -0.091 0.000 1.198 279 I CA -0.016 61.236 61.300 -0.079 0.000 1.482 279 I CB -0.282 37.597 38.000 -0.203 0.000 1.100 279 I HN -0.155 nan 8.210 nan 0.000 0.445 280 F N 3.901 123.951 119.950 0.167 0.000 2.399 280 F HA 0.472 5.000 4.527 0.001 0.000 0.342 280 F C -1.893 174.072 175.800 0.274 0.000 1.106 280 F CA -2.526 55.639 58.000 0.276 0.000 1.196 280 F CB 0.255 39.424 39.000 0.281 0.000 1.163 280 F HN -0.083 nan 8.300 nan 0.000 0.547 281 P HA 0.245 nan 4.420 nan 0.000 0.278 281 P C -0.838 176.710 177.300 0.414 0.000 1.258 281 P CA -0.335 62.972 63.100 0.344 0.000 0.811 281 P CB 1.630 33.479 31.700 0.249 0.000 1.063 282 V N -0.605 119.475 119.914 0.276 0.000 2.904 282 V HA 0.502 4.623 4.120 0.001 0.000 0.305 282 V C 0.151 176.368 176.094 0.205 0.000 1.067 282 V CA -0.564 61.894 62.300 0.262 0.000 1.044 282 V CB 0.357 32.277 31.823 0.161 0.000 1.050 282 V HN 0.311 nan 8.190 nan 0.000 0.475 283 I N 2.169 122.847 120.570 0.179 0.000 2.466 283 I HA 0.462 4.633 4.170 0.001 0.000 0.289 283 I C -0.211 175.919 176.117 0.023 0.000 1.026 283 I CA -0.168 61.173 61.300 0.069 0.000 1.078 283 I CB 2.042 40.052 38.000 0.017 0.000 1.249 283 I HN 0.699 nan 8.210 nan 0.000 0.429 284 S N 6.997 122.676 115.700 -0.035 0.000 2.473 284 S HA 0.648 5.119 4.470 0.001 0.000 0.307 284 S C -0.484 174.017 174.600 -0.165 0.000 1.094 284 S CA -0.609 57.516 58.200 -0.125 0.000 1.070 284 S CB 1.458 64.560 63.200 -0.163 0.000 1.019 284 S HN 0.352 nan 8.310 nan 0.000 0.480 285 L N 3.683 124.743 121.223 -0.272 0.000 2.325 285 L HA 0.498 4.839 4.340 0.001 0.000 0.281 285 L C -1.299 175.321 176.870 -0.416 0.000 1.004 285 L CA -0.786 53.878 54.840 -0.293 0.000 0.823 285 L CB 0.742 42.611 42.059 -0.316 0.000 1.236 285 L HN 0.603 nan 8.230 nan 0.000 0.415 286 Y N 3.753 123.792 120.300 -0.436 0.000 2.308 286 Y HA 0.529 5.080 4.550 0.002 0.000 0.329 286 Y C 0.110 175.706 175.900 -0.507 0.000 1.111 286 Y CA -0.245 57.569 58.100 -0.477 0.000 1.179 286 Y CB 1.231 39.459 38.460 -0.387 0.000 1.201 286 Y HN 0.374 nan 8.280 nan 0.000 0.483 287 L N 3.711 124.558 121.223 -0.625 0.000 2.341 287 L HA 0.489 4.830 4.340 0.001 0.000 0.267 287 L C -0.115 176.535 176.870 -0.367 0.000 1.009 287 L CA -1.077 53.421 54.840 -0.571 0.000 0.819 287 L CB 1.886 43.413 42.059 -0.887 0.000 1.323 287 L HN 0.598 nan 8.230 nan 0.000 0.425 288 M N 1.236 120.771 119.600 -0.109 0.000 2.248 288 M HA 0.222 4.703 4.480 0.001 0.000 0.345 288 M C 0.456 176.858 176.300 0.171 0.000 1.243 288 M CA 0.344 55.670 55.300 0.043 0.000 1.090 288 M CB 0.691 33.337 32.600 0.076 0.000 1.683 288 M HN 0.730 nan 8.290 nan 0.000 0.450 289 G N 3.044 112.002 108.800 0.264 0.000 2.537 289 G HA2 0.241 4.202 3.960 0.001 0.000 0.297 289 G HA3 0.241 4.202 3.960 0.001 0.000 0.297 289 G C 0.026 175.100 174.900 0.290 0.000 1.310 289 G CA -0.400 44.956 45.100 0.426 0.000 1.027 289 G HN 0.891 nan 8.290 nan 0.000 0.505 290 E N -1.525 118.837 120.200 0.269 0.000 2.318 290 E HA 0.033 4.384 4.350 0.001 0.000 0.193 290 E C 0.456 177.131 176.600 0.126 0.000 0.998 290 E CA 0.085 56.584 56.400 0.165 0.000 0.859 290 E CB 0.425 30.193 29.700 0.114 0.000 0.812 290 E HN 0.098 nan 8.360 nan 0.000 0.492 291 V N 2.485 122.488 119.914 0.149 0.000 2.498 291 V HA 0.039 4.160 4.120 0.001 0.000 0.279 291 V C 0.479 176.642 176.094 0.114 0.000 1.048 291 V CA -0.279 62.089 62.300 0.115 0.000 0.967 291 V CB 1.370 33.267 31.823 0.123 0.000 0.988 291 V HN 0.090 nan 8.190 nan 0.000 0.473 292 T N 5.403 120.007 114.554 0.084 0.000 2.946 292 T HA -0.016 4.335 4.350 0.001 0.000 0.312 292 T C 1.062 175.812 174.700 0.083 0.000 1.066 292 T CA 0.349 62.495 62.100 0.075 0.000 1.138 292 T CB -0.216 68.684 68.868 0.055 0.000 1.014 292 T HN 0.872 nan 8.240 nan 0.000 0.544 293 N N 0.724 119.472 118.700 0.080 0.000 2.713 293 N HA -0.176 4.565 4.740 0.001 0.000 0.251 293 N C -0.114 175.460 175.510 0.106 0.000 1.117 293 N CA 0.981 54.079 53.050 0.080 0.000 0.770 293 N CB -0.679 37.847 38.487 0.064 0.000 1.137 293 N HN 0.756 nan 8.380 nan 0.000 0.566 294 Q N 0.173 120.054 119.800 0.135 0.000 2.337 294 Q HA 0.565 4.906 4.340 0.001 0.000 0.266 294 Q C -0.410 175.722 176.000 0.220 0.000 1.023 294 Q CA -0.497 55.414 55.803 0.180 0.000 0.829 294 Q CB 1.561 30.421 28.738 0.203 0.000 1.306 294 Q HN 0.335 nan 8.270 nan 0.000 0.449 295 S N 1.909 117.759 115.700 0.250 0.000 2.704 295 S HA 0.864 5.334 4.470 0.001 0.000 0.296 295 S C -0.940 173.853 174.600 0.322 0.000 1.138 295 S CA -0.703 57.646 58.200 0.247 0.000 0.875 295 S CB 1.277 64.582 63.200 0.175 0.000 1.151 295 S HN 0.559 nan 8.310 nan 0.000 0.500 296 F N -1.251 118.741 119.950 0.070 0.000 2.692 296 F HA 0.888 5.415 4.527 0.001 0.000 0.320 296 F C -0.756 174.896 175.800 -0.247 0.000 1.123 296 F CA -1.271 56.620 58.000 -0.181 0.000 0.961 296 F CB 1.314 39.911 39.000 -0.672 0.000 1.383 296 F HN 0.983 nan 8.300 nan 0.000 0.483 297 R N 1.723 122.032 120.500 -0.318 0.000 2.795 297 R HA 0.837 5.178 4.340 0.001 0.000 0.275 297 R C -1.663 174.388 176.300 -0.416 0.000 0.981 297 R CA -0.963 54.706 56.100 -0.717 0.000 0.917 297 R CB 2.523 32.017 30.300 -1.344 0.000 1.202 297 R HN 1.001 nan 8.270 nan 0.000 0.469 298 I N -0.768 119.501 120.570 -0.503 0.000 2.433 298 I HA 0.527 4.698 4.170 0.001 0.000 0.292 298 I C -1.048 174.960 176.117 -0.182 0.000 1.001 298 I CA -0.732 60.328 61.300 -0.400 0.000 1.119 298 I CB 2.524 39.967 38.000 -0.929 0.000 1.289 298 I HN 0.504 nan 8.210 nan 0.000 0.438 299 T N 7.444 122.040 114.554 0.070 0.000 2.792 299 T HA 0.620 4.971 4.350 0.001 0.000 0.280 299 T C -0.107 174.719 174.700 0.209 0.000 0.990 299 T CA -0.436 61.716 62.100 0.085 0.000 0.960 299 T CB 1.356 70.237 68.868 0.022 0.000 0.939 299 T HN 0.648 nan 8.240 nan 0.000 0.439 300 I N 0.989 121.675 120.570 0.193 0.000 2.750 300 I HA 0.727 4.898 4.170 0.001 0.000 0.308 300 I C -0.874 175.352 176.117 0.180 0.000 1.016 300 I CA -1.318 60.087 61.300 0.175 0.000 1.098 300 I CB 1.228 39.370 38.000 0.237 0.000 1.279 300 I HN 0.415 nan 8.210 nan 0.000 0.454 301 L N 3.198 124.479 121.223 0.097 0.000 2.365 301 L HA 0.533 4.874 4.340 0.001 0.000 0.267 301 L C -1.552 175.220 176.870 -0.164 0.000 1.033 301 L CA -1.772 53.096 54.840 0.047 0.000 0.802 301 L CB 1.262 43.303 42.059 -0.031 0.000 1.267 301 L HN 0.430 nan 8.230 nan 0.000 0.457 302 P HA -0.138 nan 4.420 nan 0.000 0.222 302 P C 0.889 177.894 177.300 -0.491 0.000 1.147 302 P CA 1.049 63.557 63.100 -0.987 0.000 0.790 302 P CB 0.308 31.792 31.700 -0.360 0.000 0.780 303 Q N -0.554 118.977 119.800 -0.448 0.000 2.364 303 Q HA -0.148 4.193 4.340 0.001 0.000 0.209 303 Q C 2.151 178.015 176.000 -0.227 0.000 0.977 303 Q CA 1.417 56.878 55.803 -0.569 0.000 0.885 303 Q CB -0.383 27.906 28.738 -0.749 0.000 0.941 303 Q HN 0.295 nan 8.270 nan 0.000 0.464 304 Q N -1.758 117.941 119.800 -0.169 0.000 2.287 304 Q HA -0.013 4.328 4.340 0.001 0.000 0.201 304 Q C 1.184 177.207 176.000 0.038 0.000 0.946 304 Q CA 0.864 56.649 55.803 -0.031 0.000 0.868 304 Q CB 0.011 28.764 28.738 0.025 0.000 0.967 304 Q HN 0.658 nan 8.270 nan 0.000 0.516 305 Y N -1.097 119.223 120.300 0.033 0.000 2.529 305 Y HA 0.363 4.914 4.550 0.001 0.000 0.290 305 Y C -0.251 175.649 175.900 -0.001 0.000 1.177 305 Y CA -0.158 57.937 58.100 -0.008 0.000 1.305 305 Y CB -0.161 38.283 38.460 -0.028 0.000 1.047 305 Y HN -0.155 nan 8.280 nan 0.000 0.522 306 L N 3.129 124.338 121.223 -0.024 0.000 2.277 306 L HA 0.425 4.766 4.340 0.001 0.000 0.284 306 L C -0.005 177.008 176.870 0.237 0.000 1.028 306 L CA -0.676 54.211 54.840 0.079 0.000 0.835 306 L CB 1.308 43.256 42.059 -0.186 0.000 1.215 306 L HN 0.123 nan 8.230 nan 0.000 0.425 307 R N 5.317 125.969 120.500 0.253 0.000 2.234 307 R HA 0.333 4.674 4.340 0.001 0.000 0.324 307 R C -2.421 174.054 176.300 0.292 0.000 1.054 307 R CA -1.452 54.789 56.100 0.236 0.000 0.912 307 R CB 0.981 31.360 30.300 0.132 0.000 1.030 307 R HN 0.216 nan 8.270 nan 0.000 0.455 308 P HA -0.047 nan 4.420 nan 0.000 0.267 308 P C -1.114 176.179 177.300 -0.013 0.000 1.209 308 P CA -0.083 63.041 63.100 0.041 0.000 0.763 308 P CB 0.907 32.652 31.700 0.074 0.000 0.816 309 V N 0.156 120.018 119.914 -0.087 0.000 3.007 309 V HA 0.628 4.749 4.120 0.001 0.000 0.311 309 V C -0.277 175.775 176.094 -0.069 0.000 1.120 309 V CA -1.346 60.928 62.300 -0.043 0.000 0.980 309 V CB 2.152 33.969 31.823 -0.009 0.000 1.033 309 V HN 0.184 nan 8.190 nan 0.000 0.429 310 E N 1.829 122.006 120.200 -0.037 0.000 2.390 310 E HA 0.222 4.573 4.350 0.001 0.000 0.261 310 E C -0.272 176.303 176.600 -0.041 0.000 1.076 310 E CA -0.012 56.367 56.400 -0.035 0.000 0.905 310 E CB 0.847 30.538 29.700 -0.015 0.000 0.984 310 E HN 0.875 nan 8.360 nan 0.000 0.427 311 D N 1.983 122.357 120.400 -0.043 0.000 2.443 311 D HA -0.055 4.586 4.640 0.001 0.000 0.239 311 D C 1.170 177.454 176.300 -0.028 0.000 1.136 311 D CA 0.197 54.173 54.000 -0.041 0.000 0.879 311 D CB 1.126 41.904 40.800 -0.037 0.000 1.195 311 D HN 0.301 nan 8.370 nan 0.000 0.443 312 V N 1.893 121.792 119.914 -0.026 0.000 2.453 312 V HA 0.105 4.226 4.120 0.001 0.000 0.247 312 V C 0.979 177.064 176.094 -0.016 0.000 1.048 312 V CA 1.099 63.389 62.300 -0.017 0.000 1.049 312 V CB -1.000 30.814 31.823 -0.014 0.000 0.672 312 V HN 0.556 nan 8.190 nan 0.000 0.457 313 A N 1.919 124.728 122.820 -0.020 0.000 2.309 313 A HA 0.576 4.897 4.320 0.001 0.000 0.298 313 A C 0.667 178.241 177.584 -0.016 0.000 1.165 313 A CA 0.299 52.326 52.037 -0.017 0.000 0.821 313 A CB 0.029 19.017 19.000 -0.019 0.000 1.102 313 A HN 0.710 nan 8.150 nan 0.000 0.500 314 T N 0.917 115.464 114.554 -0.012 0.000 2.871 314 T HA 0.462 4.813 4.350 0.001 0.000 0.296 314 T C 0.379 175.072 174.700 -0.011 0.000 0.998 314 T CA 0.375 62.468 62.100 -0.011 0.000 1.162 314 T CB -0.266 68.597 68.868 -0.008 0.000 0.947 314 T HN 1.911 nan 8.240 nan 0.000 0.536 315 S N 2.214 117.907 115.700 -0.012 0.000 2.669 315 S HA 0.325 4.796 4.470 0.001 0.000 0.266 315 S C -0.365 174.230 174.600 -0.009 0.000 1.149 315 S CA -1.096 57.098 58.200 -0.010 0.000 0.842 315 S CB 1.212 64.405 63.200 -0.012 0.000 1.160 315 S HN 0.650 nan 8.310 nan 0.000 0.487 316 Q N 0.017 119.814 119.800 -0.004 0.000 2.179 316 Q HA 0.324 4.664 4.340 0.001 0.000 0.213 316 Q C -1.077 174.927 176.000 0.008 0.000 0.833 316 Q CA -0.286 55.515 55.803 -0.004 0.000 0.990 316 Q CB 0.262 28.998 28.738 -0.003 0.000 1.132 316 Q HN 0.566 nan 8.270 nan 0.000 0.493 317 D N 1.565 121.970 120.400 0.008 0.000 2.382 317 D HA 0.023 4.664 4.640 0.001 0.000 0.240 317 D C -0.589 175.720 176.300 0.015 0.000 1.146 317 D CA 0.540 54.554 54.000 0.025 0.000 0.897 317 D CB 0.669 41.471 40.800 0.003 0.000 1.197 317 D HN -0.070 nan 8.370 nan 0.000 0.432 318 D N 1.153 121.592 120.400 0.066 0.000 2.373 318 D HA 0.253 4.894 4.640 0.001 0.000 0.227 318 D C -0.540 175.724 176.300 -0.061 0.000 1.091 318 D CA -0.258 53.751 54.000 0.014 0.000 0.840 318 D CB 0.505 41.419 40.800 0.191 0.000 1.060 318 D HN 0.201 nan 8.370 nan 0.000 0.502 319 C N 2.676 121.766 119.300 -0.350 0.000 2.562 319 C HA 0.742 5.203 4.460 0.001 0.000 0.332 319 C C -0.649 173.943 174.990 -0.663 0.000 1.201 319 C CA -0.803 58.025 59.018 -0.316 0.000 1.803 319 C CB 0.277 27.922 27.740 -0.158 0.000 2.328 319 C HN 0.547 nan 8.230 nan 0.000 0.500 320 Y N -0.625 119.718 120.300 0.072 0.000 2.638 320 Y HA 0.577 5.128 4.550 0.002 0.000 0.335 320 Y C -0.188 175.805 175.900 0.157 0.000 1.155 320 Y CA -1.073 57.100 58.100 0.122 0.000 1.046 320 Y CB 1.128 39.685 38.460 0.163 0.000 1.303 320 Y HN 0.464 nan 8.280 nan 0.000 0.460 321 K N 0.735 121.325 120.400 0.316 0.000 2.267 321 K HA 0.454 4.775 4.320 0.001 0.000 0.246 321 K C -1.585 175.130 176.600 0.192 0.000 0.954 321 K CA -0.990 55.433 56.287 0.226 0.000 0.824 321 K CB 2.017 34.589 32.500 0.119 0.000 1.167 321 K HN 0.535 nan 8.250 nan 0.000 0.431 322 F N 1.891 121.676 119.950 -0.274 0.000 2.471 322 F HA 0.196 4.724 4.527 0.001 0.000 0.365 322 F C 0.317 176.073 175.800 -0.073 0.000 1.095 322 F CA -0.636 57.154 58.000 -0.349 0.000 1.174 322 F CB 0.449 38.901 39.000 -0.913 0.000 1.105 322 F HN 0.587 nan 8.300 nan 0.000 0.535 323 A N 8.209 130.896 122.820 -0.221 0.000 2.988 323 A HA 0.429 4.750 4.320 0.001 0.000 0.288 323 A C -0.045 177.354 177.584 -0.308 0.000 1.385 323 A CA -0.221 51.711 52.037 -0.175 0.000 1.001 323 A CB -1.151 17.839 19.000 -0.017 0.000 1.071 323 A HN 0.627 nan 8.150 nan 0.000 0.608 324 I N 1.026 121.205 120.570 -0.651 0.000 2.466 324 I HA 0.399 4.570 4.170 0.001 0.000 0.289 324 I C -0.182 175.887 176.117 -0.080 0.000 1.026 324 I CA -0.360 60.673 61.300 -0.445 0.000 1.078 324 I CB 2.378 39.938 38.000 -0.734 0.000 1.249 324 I HN 0.336 nan 8.210 nan 0.000 0.429 325 S N 4.505 120.209 115.700 0.006 0.000 2.651 325 S HA 0.515 4.986 4.470 0.001 0.000 0.279 325 S C -1.017 173.290 174.600 -0.488 0.000 1.148 325 S CA -1.049 57.031 58.200 -0.201 0.000 0.837 325 S CB 1.903 65.009 63.200 -0.158 0.000 1.138 325 S HN 0.611 nan 8.310 nan 0.000 0.478 326 Q N 0.555 119.749 119.800 -1.010 0.000 2.340 326 Q HA 0.651 4.992 4.340 0.001 0.000 0.249 326 Q C -0.384 175.452 176.000 -0.274 0.000 0.957 326 Q CA -0.527 54.873 55.803 -0.673 0.000 0.882 326 Q CB 0.982 29.285 28.738 -0.726 0.000 1.235 326 Q HN 0.595 nan 8.270 nan 0.000 0.439 327 S N 0.228 115.843 115.700 -0.141 0.000 2.568 327 S HA 0.384 4.855 4.470 0.001 0.000 0.293 327 S C -0.030 174.526 174.600 -0.073 0.000 1.089 327 S CA -0.244 57.898 58.200 -0.097 0.000 0.945 327 S CB 1.690 64.841 63.200 -0.080 0.000 1.077 327 S HN 0.719 nan 8.310 nan 0.000 0.485 328 S N 0.856 116.508 115.700 -0.080 0.000 2.559 328 S HA 0.126 4.597 4.470 0.001 0.000 0.226 328 S C 0.774 175.290 174.600 -0.141 0.000 1.000 328 S CA 0.405 58.557 58.200 -0.080 0.000 0.948 328 S CB -0.144 63.026 63.200 -0.050 0.000 0.870 328 S HN 0.880 nan 8.310 nan 0.000 0.497 329 T N -1.423 113.042 114.554 -0.148 0.000 3.266 329 T HA 0.624 4.975 4.350 0.001 0.000 0.278 329 T C 0.890 175.458 174.700 -0.221 0.000 1.010 329 T CA 0.069 62.055 62.100 -0.190 0.000 0.909 329 T CB -0.065 68.704 68.868 -0.165 0.000 1.122 329 T HN 1.218 nan 8.240 nan 0.000 0.536 330 G N 1.134 109.810 108.800 -0.207 0.000 2.685 330 G HA2 -0.061 3.900 3.960 0.001 0.000 0.387 330 G HA3 -0.061 3.900 3.960 0.001 0.000 0.387 330 G C -0.448 174.400 174.900 -0.085 0.000 1.324 330 G CA -0.651 44.354 45.100 -0.158 0.000 0.878 330 G HN 0.500 nan 8.290 nan 0.000 0.527 331 T N 0.141 114.672 114.554 -0.039 0.000 2.884 331 T HA 0.507 4.858 4.350 0.001 0.000 0.298 331 T C 0.289 174.963 174.700 -0.043 0.000 0.998 331 T CA 0.150 62.242 62.100 -0.014 0.000 1.124 331 T CB 1.352 70.233 68.868 0.021 0.000 0.931 331 T HN 1.147 nan 8.240 nan 0.000 0.531 332 V N 4.920 124.814 119.914 -0.033 0.000 2.443 332 V HA 0.337 4.458 4.120 0.001 0.000 0.293 332 V C -0.087 176.011 176.094 0.007 0.000 1.021 332 V CA -0.744 61.538 62.300 -0.030 0.000 0.848 332 V CB 1.567 33.360 31.823 -0.050 0.000 0.998 332 V HN 0.896 nan 8.190 nan 0.000 0.424 333 M N 4.529 124.151 119.600 0.037 0.000 2.435 333 M HA 0.384 4.865 4.480 0.001 0.000 0.344 333 M C 0.984 177.336 176.300 0.086 0.000 1.329 333 M CA 0.067 55.406 55.300 0.066 0.000 1.320 333 M CB 0.635 33.290 32.600 0.093 0.000 1.309 333 M HN 0.816 nan 8.290 nan 0.000 0.451 334 G N 1.063 109.903 108.800 0.067 0.000 2.516 334 G HA2 0.428 4.388 3.960 0.001 0.000 0.276 334 G HA3 0.428 4.388 3.960 0.001 0.000 0.276 334 G C 0.913 175.872 174.900 0.098 0.000 1.390 334 G CA 0.044 45.187 45.100 0.071 0.000 1.050 334 G HN 0.730 nan 8.290 nan 0.000 0.519 335 A N -1.093 121.789 122.820 0.102 0.000 1.908 335 A HA -0.067 4.253 4.320 0.001 0.000 0.218 335 A C 2.595 180.256 177.584 0.128 0.000 1.181 335 A CA 3.083 55.200 52.037 0.132 0.000 0.627 335 A CB -1.024 18.098 19.000 0.204 0.000 0.818 335 A HN 1.363 nan 8.150 nan 0.000 0.445 336 V N -2.402 117.580 119.914 0.114 0.000 2.720 336 V HA -0.157 3.964 4.120 0.001 0.000 0.256 336 V C 1.997 178.162 176.094 0.118 0.000 1.082 336 V CA 1.647 64.011 62.300 0.107 0.000 1.101 336 V CB -0.823 31.056 31.823 0.093 0.000 0.693 336 V HN 0.402 nan 8.190 nan 0.000 0.479 337 I N -0.092 120.565 120.570 0.144 0.000 2.400 337 I HA -0.002 4.169 4.170 0.001 0.000 0.248 337 I C 2.608 178.904 176.117 0.297 0.000 1.109 337 I CA 1.563 62.995 61.300 0.219 0.000 1.425 337 I CB -0.917 37.201 38.000 0.196 0.000 1.094 337 I HN 0.317 nan 8.210 nan 0.000 0.425 338 M N 0.087 119.819 119.600 0.219 0.000 2.279 338 M HA -0.174 4.306 4.480 0.001 0.000 0.264 338 M C 1.863 178.229 176.300 0.110 0.000 1.062 338 M CA 1.375 56.798 55.300 0.206 0.000 1.099 338 M CB -0.485 32.183 32.600 0.113 0.000 1.394 338 M HN 0.207 nan 8.290 nan 0.000 0.426 339 E N 0.144 120.370 120.200 0.045 0.000 2.265 339 E HA -0.116 4.235 4.350 0.001 0.000 0.196 339 E C 2.020 178.574 176.600 -0.077 0.000 0.996 339 E CA 0.881 57.267 56.400 -0.024 0.000 0.832 339 E CB -0.158 29.549 29.700 0.013 0.000 0.756 339 E HN 0.626 nan 8.360 nan 0.000 0.491 340 G N -0.199 108.490 108.800 -0.185 0.000 2.683 340 G HA2 0.037 3.998 3.960 0.001 0.000 0.213 340 G HA3 0.037 3.998 3.960 0.001 0.000 0.213 340 G C 0.220 174.497 174.900 -1.038 0.000 1.142 340 G CA 0.085 44.794 45.100 -0.651 0.000 0.793 340 G HN 0.001 nan 8.290 nan 0.000 0.534 341 F N -2.540 117.434 119.950 0.041 0.000 2.650 341 F HA 0.527 5.055 4.527 0.002 0.000 0.320 341 F C -0.979 174.867 175.800 0.076 0.000 1.091 341 F CA -1.941 56.096 58.000 0.063 0.000 0.962 341 F CB 1.209 40.290 39.000 0.135 0.000 1.363 341 F HN -0.120 nan 8.300 nan 0.000 0.482 342 Y N 1.893 122.255 120.300 0.104 0.000 2.341 342 Y HA 0.674 5.224 4.550 0.001 0.000 0.340 342 Y C -1.075 174.692 175.900 -0.221 0.000 0.997 342 Y CA -1.643 56.422 58.100 -0.058 0.000 1.149 342 Y CB 0.801 39.225 38.460 -0.060 0.000 1.171 342 Y HN 0.306 nan 8.280 nan 0.000 0.494 343 V N 7.343 126.941 119.914 -0.527 0.000 2.384 343 V HA 0.374 4.495 4.120 0.001 0.000 0.287 343 V C -0.634 174.842 176.094 -1.031 0.000 1.020 343 V CA -1.032 60.733 62.300 -0.892 0.000 0.850 343 V CB 1.377 32.732 31.823 -0.781 0.000 0.987 343 V HN 0.550 nan 8.190 nan 0.000 0.436 344 V N 5.566 124.799 119.914 -1.134 0.000 2.333 344 V HA 0.396 4.517 4.120 0.001 0.000 0.274 344 V C -0.394 175.141 176.094 -0.932 0.000 1.028 344 V CA -0.265 61.502 62.300 -0.889 0.000 0.851 344 V CB 0.856 32.286 31.823 -0.655 0.000 1.000 344 V HN 0.712 nan 8.190 nan 0.000 0.456 345 F N 2.921 122.333 119.950 -0.897 0.000 2.499 345 F HA 0.275 4.803 4.527 0.002 0.000 0.353 345 F C 0.859 176.286 175.800 -0.622 0.000 1.196 345 F CA -0.420 56.998 58.000 -0.969 0.000 1.244 345 F CB 0.394 38.264 39.000 -1.884 0.000 1.577 345 F HN 0.427 nan 8.300 nan 0.000 0.614 346 D N 2.967 123.235 120.400 -0.220 0.000 2.517 346 D HA 0.095 4.735 4.640 0.001 0.000 0.220 346 D C 1.359 177.684 176.300 0.041 0.000 1.158 346 D CA 0.088 54.044 54.000 -0.075 0.000 0.992 346 D CB 0.309 41.075 40.800 -0.058 0.000 1.058 346 D HN 0.452 nan 8.370 nan 0.000 0.516 347 R N 1.742 122.309 120.500 0.110 0.000 2.115 347 R HA -0.071 4.270 4.340 0.001 0.000 0.230 347 R C 2.110 178.529 176.300 0.198 0.000 1.111 347 R CA 1.298 57.555 56.100 0.263 0.000 0.976 347 R CB 0.002 30.509 30.300 0.345 0.000 0.870 347 R HN 0.355 nan 8.270 nan 0.000 0.445 348 A N 1.261 124.164 122.820 0.140 0.000 1.902 348 A HA -0.148 4.173 4.320 0.001 0.000 0.217 348 A C 1.768 179.385 177.584 0.055 0.000 1.181 348 A CA 1.276 53.372 52.037 0.099 0.000 0.623 348 A CB -0.192 18.856 19.000 0.081 0.000 0.818 348 A HN 0.213 nan 8.150 nan 0.000 0.443 349 R N -1.515 118.998 120.500 0.021 0.000 2.427 349 R HA 0.202 4.543 4.340 0.001 0.000 0.262 349 R C 0.015 176.321 176.300 0.010 0.000 0.943 349 R CA 0.205 56.294 56.100 -0.019 0.000 1.081 349 R CB 0.050 30.288 30.300 -0.104 0.000 1.166 349 R HN 0.486 nan 8.270 nan 0.000 0.534 350 K N 2.014 122.455 120.400 0.069 0.000 3.156 350 K HA -0.235 4.086 4.320 0.001 0.000 0.266 350 K C -1.028 175.637 176.600 0.108 0.000 0.966 350 K CA 0.832 57.184 56.287 0.108 0.000 0.719 350 K CB -0.643 31.899 32.500 0.071 0.000 1.333 350 K HN 0.432 nan 8.250 nan 0.000 0.468 351 R N -0.276 120.282 120.500 0.097 0.000 2.764 351 R HA 0.624 4.965 4.340 0.001 0.000 0.270 351 R C -0.841 175.515 176.300 0.092 0.000 1.014 351 R CA -1.162 55.011 56.100 0.121 0.000 0.904 351 R CB 1.154 31.504 30.300 0.084 0.000 1.236 351 R HN 0.072 nan 8.270 nan 0.000 0.466 352 I N 1.064 121.686 120.570 0.086 0.000 2.436 352 I HA 0.437 4.608 4.170 0.001 0.000 0.289 352 I C 0.035 176.017 176.117 -0.225 0.000 1.010 352 I CA -0.904 60.259 61.300 -0.228 0.000 1.098 352 I CB 2.264 40.056 38.000 -0.346 0.000 1.266 352 I HN 0.874 nan 8.210 nan 0.000 0.434 353 G N 5.366 113.793 108.800 -0.623 0.000 2.389 353 G HA2 0.716 4.677 3.960 0.001 0.000 0.328 353 G HA3 0.716 4.677 3.960 0.001 0.000 0.328 353 G C -1.307 173.009 174.900 -0.974 0.000 1.133 353 G CA -0.226 44.244 45.100 -1.050 0.000 0.891 353 G HN 0.330 nan 8.290 nan 0.000 0.485 354 F N 0.491 120.080 119.950 -0.602 0.000 2.540 354 F HA 0.738 5.266 4.527 0.002 0.000 0.317 354 F C 0.409 176.043 175.800 -0.276 0.000 1.104 354 F CA -0.589 57.179 58.000 -0.386 0.000 0.913 354 F CB 2.730 41.549 39.000 -0.303 0.000 1.170 354 F HN 0.711 nan 8.300 nan 0.000 0.450 355 A N 1.573 124.426 122.820 0.054 0.000 2.539 355 A HA 0.753 5.073 4.320 0.001 0.000 0.296 355 A C -1.381 176.416 177.584 0.356 0.000 1.073 355 A CA -0.846 51.275 52.037 0.140 0.000 0.700 355 A CB 1.164 20.100 19.000 -0.107 0.000 1.296 355 A HN 0.462 nan 8.150 nan 0.000 0.405 356 V N 1.654 121.755 119.914 0.312 0.000 2.599 356 V HA 0.208 4.329 4.120 0.001 0.000 0.300 356 V C 1.205 177.380 176.094 0.134 0.000 1.034 356 V CA 0.438 62.820 62.300 0.136 0.000 1.115 356 V CB 1.205 33.040 31.823 0.019 0.000 0.934 356 V HN 0.921 nan 8.190 nan 0.000 0.485 357 S N 4.111 119.815 115.700 0.007 0.000 2.528 357 S HA 0.353 4.824 4.470 0.001 0.000 0.277 357 S C 1.279 175.978 174.600 0.166 0.000 1.297 357 S CA -0.179 58.082 58.200 0.102 0.000 1.052 357 S CB 1.144 64.370 63.200 0.043 0.000 0.917 357 S HN 1.005 nan 8.310 nan 0.000 0.492 358 A N 3.422 126.297 122.820 0.091 0.000 2.225 358 A HA -0.019 4.302 4.320 0.001 0.000 0.215 358 A C 1.702 179.312 177.584 0.042 0.000 1.164 358 A CA 1.135 53.206 52.037 0.056 0.000 0.710 358 A CB -1.090 17.898 19.000 -0.020 0.000 0.780 358 A HN 1.265 nan 8.150 nan 0.000 0.473 359 c N -1.061 117.568 118.600 0.047 0.000 2.976 359 c HA 0.396 4.967 4.570 0.001 0.000 0.274 359 c C 0.665 174.760 174.090 0.008 0.000 1.487 359 c CA -0.374 55.955 56.329 0.000 0.000 1.789 359 c CB -1.793 40.702 42.510 -0.025 0.000 2.771 359 c HN 0.651 nan 8.230 nan 0.000 0.551 360 H N 0.378 119.418 119.070 -0.050 0.000 2.615 360 H HA 0.548 5.105 4.556 0.002 0.000 0.363 360 H C -0.745 174.567 175.328 -0.026 0.000 1.148 360 H CA -0.137 55.863 56.048 -0.081 0.000 1.401 360 H CB 0.958 30.622 29.762 -0.164 0.000 1.461 360 H HN 0.167 nan 8.280 nan 0.000 0.588 361 V N 5.647 125.487 119.914 -0.124 0.000 2.546 361 V HA 0.197 4.318 4.120 0.001 0.000 0.284 361 V C 0.629 176.564 176.094 -0.265 0.000 1.050 361 V CA -0.001 62.144 62.300 -0.258 0.000 0.981 361 V CB 0.461 32.160 31.823 -0.207 0.000 0.990 361 V HN 1.061 nan 8.190 nan 0.000 0.474 362 H N 2.535 121.359 119.070 -0.410 0.000 3.054 362 H HA 0.642 5.199 4.556 0.002 0.000 0.271 362 H C -1.535 173.591 175.328 -0.337 0.000 1.551 362 H CA -0.751 55.079 56.048 -0.363 0.000 1.196 362 H CB 1.643 31.241 29.762 -0.274 0.000 1.867 362 H HN 0.640 nan 8.280 nan 0.000 0.637 363 D N -1.309 119.036 120.400 -0.091 0.000 2.758 363 D HA 0.125 4.766 4.640 0.001 0.000 0.279 363 D C 0.712 177.017 176.300 0.009 0.000 1.111 363 D CA -0.775 53.153 54.000 -0.119 0.000 1.109 363 D CB 1.382 42.156 40.800 -0.043 0.000 1.428 363 D HN 0.665 nan 8.370 nan 0.000 0.586 364 E N -1.302 118.779 120.200 -0.199 0.000 2.347 364 E HA -0.041 4.309 4.350 0.001 0.000 0.196 364 E C 0.628 176.985 176.600 -0.404 0.000 1.008 364 E CA 0.634 56.824 56.400 -0.350 0.000 0.852 364 E CB -0.086 29.268 29.700 -0.577 0.000 0.783 364 E HN 0.509 nan 8.360 nan 0.000 0.505 365 F N -0.066 119.920 119.950 0.061 0.000 2.582 365 F HA 0.295 4.823 4.527 0.001 0.000 0.290 365 F C 0.999 176.827 175.800 0.046 0.000 1.115 365 F CA 0.037 58.068 58.000 0.051 0.000 1.445 365 F CB 0.512 39.544 39.000 0.054 0.000 1.126 365 F HN -0.292 nan 8.300 nan 0.000 0.574 366 R N -0.445 120.174 120.500 0.199 0.000 2.771 366 R HA 0.567 4.908 4.340 0.001 0.000 0.274 366 R C -0.797 175.539 176.300 0.059 0.000 0.987 366 R CA -0.591 55.583 56.100 0.123 0.000 0.908 366 R CB 2.194 32.576 30.300 0.136 0.000 1.213 366 R HN -0.007 nan 8.270 nan 0.000 0.468 367 T N -2.006 112.554 114.554 0.010 0.000 2.883 367 T HA 0.726 5.077 4.350 0.001 0.000 0.296 367 T C -0.106 174.601 174.700 0.012 0.000 1.117 367 T CA -0.894 61.205 62.100 -0.002 0.000 1.006 367 T CB 1.831 70.603 68.868 -0.159 0.000 1.191 367 T HN 0.639 nan 8.240 nan 0.000 0.508 368 A N 0.659 123.415 122.820 -0.106 0.000 2.327 368 A HA 0.819 5.140 4.320 0.001 0.000 0.255 368 A C 0.482 177.964 177.584 -0.170 0.000 1.099 368 A CA -0.125 51.741 52.037 -0.286 0.000 0.801 368 A CB -0.475 18.052 19.000 -0.789 0.000 1.062 368 A HN 1.859 nan 8.150 nan 0.000 0.496 369 A N -0.684 122.147 122.820 0.018 0.000 2.606 369 A HA 0.645 4.966 4.320 0.001 0.000 0.293 369 A C -1.382 176.310 177.584 0.179 0.000 1.082 369 A CA -0.383 51.701 52.037 0.079 0.000 0.685 369 A CB 1.426 20.449 19.000 0.037 0.000 1.284 369 A HN 1.445 nan 8.150 nan 0.000 0.408 370 V N 1.689 121.679 119.914 0.127 0.000 2.488 370 V HA 0.506 4.627 4.120 0.001 0.000 0.293 370 V C -0.634 175.433 176.094 -0.045 0.000 1.027 370 V CA -0.285 62.054 62.300 0.065 0.000 0.862 370 V CB 1.142 33.065 31.823 0.166 0.000 1.008 370 V HN 0.954 nan 8.190 nan 0.000 0.428 371 E N 2.345 122.427 120.200 -0.196 0.000 2.343 371 E HA 0.894 5.245 4.350 0.001 0.000 0.270 371 E C -0.007 176.186 176.600 -0.677 0.000 0.895 371 E CA -0.737 55.487 56.400 -0.293 0.000 0.767 371 E CB 2.989 32.647 29.700 -0.069 0.000 1.248 371 E HN 0.860 nan 8.360 nan 0.000 0.440 372 G N 1.153 109.410 108.800 -0.904 0.000 2.430 372 G HA2 0.431 4.391 3.960 0.001 0.000 0.300 372 G HA3 0.431 4.391 3.960 0.001 0.000 0.300 372 G C -2.943 171.566 174.900 -0.653 0.000 1.330 372 G CA -0.745 43.580 45.100 -1.292 0.000 0.813 372 G HN 0.392 nan 8.290 nan 0.000 0.487 373 P HA 0.785 nan 4.420 nan 0.000 0.283 373 P C -1.575 175.321 177.300 -0.674 0.000 1.278 373 P CA -0.611 62.227 63.100 -0.436 0.000 0.834 373 P CB 1.567 33.322 31.700 0.091 0.000 1.150 374 F N -1.294 118.677 119.950 0.035 0.000 2.540 374 F HA 0.275 4.803 4.527 0.001 0.000 0.317 374 F C 0.141 175.978 175.800 0.062 0.000 1.104 374 F CA -1.168 56.868 58.000 0.060 0.000 0.913 374 F CB 1.980 41.047 39.000 0.112 0.000 1.170 374 F HN -0.094 nan 8.300 nan 0.000 0.450 375 V N 2.521 122.562 119.914 0.211 0.000 2.439 375 V HA 0.305 4.426 4.120 0.001 0.000 0.271 375 V C -0.177 175.988 176.094 0.118 0.000 1.040 375 V CA 0.188 62.569 62.300 0.135 0.000 1.002 375 V CB 0.423 32.302 31.823 0.093 0.000 1.000 375 V HN 0.831 nan 8.190 nan 0.000 0.477 376 T N 6.552 121.165 114.554 0.099 0.000 2.921 376 T HA 0.632 4.982 4.350 0.001 0.000 0.297 376 T C -0.441 174.287 174.700 0.046 0.000 1.013 376 T CA -0.518 61.615 62.100 0.055 0.000 0.990 376 T CB 1.414 70.314 68.868 0.053 0.000 1.023 376 T HN 0.301 nan 8.240 nan 0.000 0.447 377 L N 1.742 122.981 121.223 0.026 0.000 2.358 377 L HA 0.480 4.821 4.340 0.001 0.000 0.268 377 L C 0.177 177.059 176.870 0.020 0.000 1.032 377 L CA -0.992 53.863 54.840 0.025 0.000 0.805 377 L CB 0.524 42.593 42.059 0.017 0.000 1.253 377 L HN 0.656 nan 8.230 nan 0.000 0.452 378 D N 1.048 121.461 120.400 0.022 0.000 2.733 378 D HA -0.241 4.400 4.640 0.001 0.000 0.232 378 D C 1.155 177.471 176.300 0.026 0.000 1.161 378 D CA 0.874 54.886 54.000 0.020 0.000 0.653 378 D CB -0.549 40.257 40.800 0.011 0.000 1.052 378 D HN 0.584 nan 8.370 nan 0.000 0.424 379 M N -0.505 119.116 119.600 0.035 0.000 2.213 379 M HA -0.174 4.307 4.480 0.001 0.000 0.263 379 M C 2.225 178.554 176.300 0.048 0.000 1.062 379 M CA 1.519 56.844 55.300 0.042 0.000 1.105 379 M CB -0.152 32.478 32.600 0.052 0.000 1.385 379 M HN 0.146 nan 8.290 nan 0.000 0.417 380 E N 1.043 121.269 120.200 0.044 0.000 2.130 380 E HA -0.259 4.092 4.350 0.001 0.000 0.196 380 E C 0.894 177.519 176.600 0.041 0.000 0.998 380 E CA 1.545 57.971 56.400 0.043 0.000 0.806 380 E CB -0.050 29.670 29.700 0.033 0.000 0.738 380 E HN 0.470 nan 8.360 nan 0.000 0.459 381 D N -0.161 120.259 120.400 0.032 0.000 2.392 381 D HA -0.082 4.558 4.640 0.001 0.000 0.228 381 D C 1.518 177.843 176.300 0.043 0.000 1.003 381 D CA 0.432 54.449 54.000 0.028 0.000 0.917 381 D CB -0.183 40.626 40.800 0.015 0.000 0.890 381 D HN 0.304 nan 8.370 nan 0.000 0.532 382 C N 0.700 120.035 119.300 0.057 0.000 2.468 382 C HA 0.169 4.629 4.460 0.001 0.000 0.277 382 C C 1.700 176.759 174.990 0.115 0.000 1.400 382 C CA -0.353 58.712 59.018 0.078 0.000 1.770 382 C CB -0.919 26.874 27.740 0.088 0.000 1.905 382 C HN 0.230 nan 8.230 nan 0.000 0.519 383 G N -0.719 108.146 108.800 0.109 0.000 2.442 383 G HA2 0.349 4.310 3.960 0.001 0.000 0.249 383 G HA3 0.349 4.310 3.960 0.001 0.000 0.249 383 G C -0.872 174.131 174.900 0.171 0.000 1.263 383 G CA 0.073 45.258 45.100 0.141 0.000 0.846 383 G HN 0.445 nan 8.290 nan 0.000 0.555 384 Y N 2.558 122.917 120.300 0.097 0.000 2.320 384 Y HA 0.416 4.967 4.550 0.001 0.000 0.324 384 Y C 0.280 176.230 175.900 0.083 0.000 1.190 384 Y CA -0.827 57.338 58.100 0.107 0.000 1.215 384 Y CB 0.995 39.550 38.460 0.158 0.000 1.221 384 Y HN 0.501 nan 8.280 nan 0.000 0.486 385 N N 0.000 118.235 118.700 -0.775 0.000 1.763 385 N HA 0.000 4.741 4.740 0.001 0.000 0.220 385 N CA 0.000 52.713 53.050 -0.562 0.000 0.885 385 N CB 0.000 38.305 38.487 -0.303 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667