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 1l0l_1_B DATA FIRST_RESID 17 DATA SEQUENCE VPPHPQDLEF TRLPNGLVIA SLENYAPASR IGLFIKAGSR YENSNNLGTS DATA SEQUENCE HLLRLASSLT TKGASSFKIT RGIEAVGGKL SVTSTRENMA YTVECLRDDV DATA SEQUENCE DILMEFLLNV TTAPEFRRWE VAALQPQLRI DKAVALQNPQ AHVIENLHAA DATA SEQUENCE AYRNALANSL YCPDYRIGKV TPVELHDYVQ NHFTSARMAL IGLGVSHPVL DATA SEQUENCE KQVAEQFLNI RGGLGLSGAK AKYHGGEIRE QNGDSLVHAA LVAESAAIGS DATA SEQUENCE AEANAFSVLQ HVLGAGPHVK RGSNATSSLY QAVAKGVHQP FDVSAFNASY DATA SEQUENCE SDSGLFGFYT ISQAASAGDV IKAAYNQVKT IAQGNLSNPD VQAAKNKLKA DATA SEQUENCE GYLMSVESSE GFLDEVGSQA LAAGSYTPPS TVLQQIDAVA DADVINAAKK DATA SEQUENCE FVSGRKSMAA SGNLGHTPFI DEL 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 17 V HA 0.000 nan 4.120 nan 0.000 0.244 17 V C 0.000 176.097 176.094 0.005 0.000 1.182 17 V CA 0.000 62.300 62.300 -0.001 0.000 1.235 17 V CB 0.000 31.820 31.823 -0.004 0.000 1.184 18 P HA 0.508 nan 4.420 nan 0.000 0.270 18 P C -2.124 175.196 177.300 0.034 0.000 1.221 18 P CA -0.252 62.860 63.100 0.019 0.000 0.788 18 P CB -0.047 31.664 31.700 0.018 0.000 0.904 19 P HA 0.120 nan 4.420 nan 0.000 0.312 19 P C -0.393 177.004 177.300 0.162 0.000 1.307 19 P CA -0.321 62.851 63.100 0.120 0.000 0.738 19 P CB 0.225 31.968 31.700 0.072 0.000 1.422 20 H N 0.047 119.131 119.070 0.022 0.000 3.026 20 H HA 0.117 4.673 4.556 -0.000 0.000 0.289 20 H C -1.702 173.677 175.328 0.085 0.000 1.022 20 H CA -1.176 54.900 56.048 0.047 0.000 1.477 20 H CB -0.589 29.204 29.762 0.052 0.000 1.510 20 H HN 0.210 nan 8.280 nan 0.000 0.535 21 P HA 0.044 nan 4.420 nan 0.000 0.280 21 P C 0.031 177.386 177.300 0.093 0.000 1.300 21 P CA -0.404 62.754 63.100 0.097 0.000 0.785 21 P CB 0.651 32.374 31.700 0.038 0.000 0.874 22 Q N 1.877 121.731 119.800 0.090 0.000 2.454 22 Q HA 0.106 4.446 4.340 -0.000 0.000 0.247 22 Q C -0.088 175.930 176.000 0.030 0.000 1.028 22 Q CA 0.349 56.188 55.803 0.059 0.000 0.910 22 Q CB 0.620 29.360 28.738 0.004 0.000 1.276 22 Q HN 0.436 nan 8.270 nan 0.000 0.489 23 D N 1.081 121.501 120.400 0.034 0.000 2.255 23 D HA 0.228 4.868 4.640 -0.000 0.000 0.249 23 D C -0.104 176.209 176.300 0.021 0.000 1.078 23 D CA -0.459 53.566 54.000 0.042 0.000 0.896 23 D CB 0.844 41.673 40.800 0.049 0.000 1.194 23 D HN 0.337 nan 8.370 nan 0.000 0.429 24 L N 1.415 122.662 121.223 0.040 0.000 2.485 24 L HA 0.094 4.434 4.340 -0.000 0.000 0.275 24 L C 0.081 176.942 176.870 -0.015 0.000 1.207 24 L CA 0.232 55.071 54.840 -0.001 0.000 0.855 24 L CB 0.351 42.347 42.059 -0.106 0.000 1.114 24 L HN 0.267 nan 8.230 nan 0.000 0.485 25 E N 4.696 124.843 120.200 -0.088 0.000 2.195 25 E HA 0.354 4.704 4.350 -0.000 0.000 0.271 25 E C -1.541 174.987 176.600 -0.120 0.000 0.923 25 E CA -0.537 55.718 56.400 -0.241 0.000 0.790 25 E CB 2.607 31.933 29.700 -0.624 0.000 1.155 25 E HN 0.498 nan 8.360 nan 0.000 0.402 26 F N 0.789 120.638 119.950 -0.168 0.000 2.569 26 F HA 0.405 4.932 4.527 -0.000 0.000 0.312 26 F C -1.096 174.769 175.800 0.108 0.000 1.109 26 F CA -0.207 57.815 58.000 0.036 0.000 0.919 26 F CB 2.238 41.267 39.000 0.047 0.000 1.211 26 F HN 0.231 nan 8.300 nan 0.000 0.446 27 T N 5.467 119.973 114.554 -0.081 0.000 3.032 27 T HA 0.422 4.772 4.350 -0.000 0.000 0.312 27 T C -0.967 173.657 174.700 -0.128 0.000 1.078 27 T CA -0.770 61.358 62.100 0.046 0.000 1.028 27 T CB 1.597 70.558 68.868 0.155 0.000 1.091 27 T HN 0.486 nan 8.240 nan 0.000 0.457 28 R N 2.544 123.067 120.500 0.038 0.000 2.346 28 R HA 0.585 4.925 4.340 -0.000 0.000 0.311 28 R C -0.443 175.866 176.300 0.016 0.000 0.983 28 R CA -0.694 55.421 56.100 0.025 0.000 0.880 28 R CB 1.390 31.761 30.300 0.118 0.000 1.100 28 R HN 0.484 nan 8.270 nan 0.000 0.453 29 L N 3.987 125.203 121.223 -0.012 0.000 2.399 29 L HA 0.322 4.662 4.340 -0.000 0.000 0.265 29 L C -1.302 175.571 176.870 0.004 0.000 1.089 29 L CA -2.088 52.748 54.840 -0.007 0.000 0.802 29 L CB 0.964 43.008 42.059 -0.026 0.000 1.180 29 L HN 0.316 nan 8.230 nan 0.000 0.454 30 P HA -0.149 nan 4.420 nan 0.000 0.218 30 P C 0.636 177.938 177.300 0.004 0.000 1.146 30 P CA 1.068 64.172 63.100 0.008 0.000 0.813 30 P CB -0.072 31.630 31.700 0.004 0.000 0.778 31 N N -1.257 117.441 118.700 -0.003 0.000 2.521 31 N HA 0.040 4.780 4.740 -0.000 0.000 0.188 31 N C 1.296 176.806 175.510 -0.000 0.000 1.146 31 N CA 0.990 54.038 53.050 -0.003 0.000 0.893 31 N CB -0.880 37.601 38.487 -0.009 0.000 0.975 31 N HN 0.221 nan 8.380 nan 0.000 0.451 32 G N -0.537 108.266 108.800 0.004 0.000 2.258 32 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.233 32 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.233 32 G C -0.135 174.765 174.900 -0.000 0.000 1.006 32 G CA 0.139 45.245 45.100 0.010 0.000 0.620 32 G HN 0.505 nan 8.290 nan 0.000 0.511 33 L N 1.648 122.862 121.223 -0.016 0.000 2.506 33 L HA 0.557 4.897 4.340 -0.000 0.000 0.281 33 L C 0.393 177.220 176.870 -0.072 0.000 1.228 33 L CA 0.213 55.031 54.840 -0.037 0.000 0.850 33 L CB 1.141 43.176 42.059 -0.039 0.000 1.110 33 L HN 0.201 nan 8.230 nan 0.000 0.496 34 V N 6.198 126.042 119.914 -0.117 0.000 2.540 34 V HA 0.468 4.588 4.120 -0.000 0.000 0.302 34 V C -0.330 175.580 176.094 -0.308 0.000 1.035 34 V CA -0.445 61.699 62.300 -0.261 0.000 0.873 34 V CB 1.758 33.419 31.823 -0.269 0.000 0.992 34 V HN 0.602 nan 8.190 nan 0.000 0.428 35 I N 4.148 124.488 120.570 -0.384 0.000 2.433 35 I HA 0.801 4.971 4.170 -0.000 0.000 0.292 35 I C 0.119 176.062 176.117 -0.291 0.000 1.001 35 I CA -0.277 60.845 61.300 -0.297 0.000 1.119 35 I CB 1.989 39.815 38.000 -0.291 0.000 1.289 35 I HN 0.655 nan 8.210 nan 0.000 0.438 36 A N 4.328 127.047 122.820 -0.170 0.000 2.353 36 A HA 0.839 5.159 4.320 -0.000 0.000 0.299 36 A C -0.491 177.128 177.584 0.058 0.000 1.089 36 A CA -0.467 51.554 52.037 -0.026 0.000 0.736 36 A CB 1.220 20.175 19.000 -0.075 0.000 1.195 36 A HN 0.681 nan 8.150 nan 0.000 0.447 37 S N 2.361 118.170 115.700 0.181 0.000 2.568 37 S HA 0.836 5.306 4.470 -0.000 0.000 0.293 37 S C -0.937 173.713 174.600 0.082 0.000 1.089 37 S CA -0.724 57.562 58.200 0.143 0.000 0.945 37 S CB 1.712 65.046 63.200 0.224 0.000 1.077 37 S HN 1.011 nan 8.310 nan 0.000 0.485 38 L N 1.843 123.109 121.223 0.072 0.000 2.406 38 L HA 0.543 4.883 4.340 -0.000 0.000 0.272 38 L C -0.961 175.882 176.870 -0.045 0.000 0.980 38 L CA -0.427 54.431 54.840 0.031 0.000 0.831 38 L CB 1.844 43.968 42.059 0.109 0.000 1.253 38 L HN 0.972 nan 8.230 nan 0.000 0.406 39 E N 3.419 123.537 120.200 -0.137 0.000 2.003 39 E HA 0.067 4.417 4.350 -0.000 0.000 0.279 39 E C 0.287 176.659 176.600 -0.380 0.000 1.132 39 E CA 0.479 56.692 56.400 -0.312 0.000 0.888 39 E CB 0.519 29.933 29.700 -0.476 0.000 1.056 39 E HN 0.620 nan 8.360 nan 0.000 0.399 40 N N 3.172 121.718 118.700 -0.257 0.000 2.446 40 N HA -0.077 4.662 4.740 -0.000 0.000 0.179 40 N C -0.438 175.043 175.510 -0.048 0.000 1.054 40 N CA 0.048 53.015 53.050 -0.138 0.000 0.905 40 N CB 0.020 38.465 38.487 -0.071 0.000 0.973 40 N HN 0.495 nan 8.380 nan 0.000 0.448 41 Y N -1.549 118.752 120.300 0.001 0.000 4.236 41 Y HA -0.284 4.266 4.550 -0.000 0.000 0.220 41 Y C 0.218 176.118 175.900 -0.000 0.000 1.115 41 Y CA 0.015 58.115 58.100 0.001 0.000 1.811 41 Y CB -2.391 36.068 38.460 -0.001 0.000 1.581 41 Y HN 0.046 nan 8.280 nan 0.000 0.643 42 A N -0.369 122.506 122.820 0.091 0.000 2.293 42 A HA 0.622 4.942 4.320 -0.000 0.000 0.302 42 A C -0.779 176.837 177.584 0.054 0.000 1.119 42 A CA -0.962 51.110 52.037 0.059 0.000 0.823 42 A CB 0.563 19.578 19.000 0.025 0.000 1.097 42 A HN 0.015 nan 8.150 nan 0.000 0.491 43 P HA -0.051 nan 4.420 nan 0.000 0.216 43 P C 0.457 177.776 177.300 0.031 0.000 1.150 43 P CA 2.019 65.140 63.100 0.036 0.000 0.843 43 P CB 0.145 31.861 31.700 0.027 0.000 0.787 44 A N -1.546 121.291 122.820 0.028 0.000 2.313 44 A HA 0.665 4.985 4.320 -0.000 0.000 0.323 44 A C -0.209 177.391 177.584 0.026 0.000 1.133 44 A CA -0.316 51.736 52.037 0.026 0.000 0.847 44 A CB 1.118 20.132 19.000 0.024 0.000 1.308 44 A HN -0.088 nan 8.150 nan 0.000 0.475 45 S N -0.503 115.214 115.700 0.027 0.000 2.513 45 S HA 0.679 5.149 4.470 -0.000 0.000 0.299 45 S C -0.392 174.230 174.600 0.037 0.000 1.087 45 S CA -0.569 57.648 58.200 0.029 0.000 1.012 45 S CB 1.365 64.580 63.200 0.025 0.000 1.044 45 S HN 0.668 nan 8.310 nan 0.000 0.485 46 R N 2.551 123.079 120.500 0.047 0.000 2.561 46 R HA 0.714 5.054 4.340 -0.000 0.000 0.297 46 R C -1.753 174.586 176.300 0.065 0.000 0.969 46 R CA -0.464 55.671 56.100 0.057 0.000 0.879 46 R CB 0.816 31.159 30.300 0.072 0.000 1.178 46 R HN 0.640 nan 8.270 nan 0.000 0.445 47 I N 2.690 123.296 120.570 0.060 0.000 2.569 47 I HA 0.482 4.652 4.170 -0.000 0.000 0.290 47 I C -0.253 175.903 176.117 0.065 0.000 1.088 47 I CA -0.823 60.515 61.300 0.063 0.000 1.047 47 I CB 2.508 40.534 38.000 0.043 0.000 1.237 47 I HN 0.795 nan 8.210 nan 0.000 0.421 48 G N 5.302 114.165 108.800 0.105 0.000 2.591 48 G HA2 0.665 4.625 3.960 -0.000 0.000 0.306 48 G HA3 0.665 4.625 3.960 -0.000 0.000 0.306 48 G C -1.986 172.974 174.900 0.100 0.000 1.334 48 G CA -0.502 44.631 45.100 0.056 0.000 0.981 48 G HN 0.370 nan 8.290 nan 0.000 0.491 49 L N 1.859 123.071 121.223 -0.018 0.000 2.295 49 L HA 0.685 5.025 4.340 -0.000 0.000 0.281 49 L C -1.350 175.498 176.870 -0.037 0.000 1.018 49 L CA -0.893 53.966 54.840 0.032 0.000 0.841 49 L CB 0.335 42.378 42.059 -0.027 0.000 1.218 49 L HN 0.327 nan 8.230 nan 0.000 0.424 50 F N 5.685 125.626 119.950 -0.015 0.000 2.394 50 F HA 0.602 5.129 4.527 -0.000 0.000 0.340 50 F C 0.164 175.928 175.800 -0.062 0.000 1.105 50 F CA -0.200 57.789 58.000 -0.018 0.000 1.124 50 F CB 1.096 40.090 39.000 -0.011 0.000 1.145 50 F HN 0.243 nan 8.300 nan 0.000 0.505 51 I N 2.275 122.872 120.570 0.046 0.000 2.686 51 I HA 0.285 4.455 4.170 -0.000 0.000 0.295 51 I C -0.618 175.491 176.117 -0.013 0.000 1.114 51 I CA -1.158 60.092 61.300 -0.083 0.000 1.038 51 I CB 2.132 39.881 38.000 -0.419 0.000 1.238 51 I HN 0.298 nan 8.210 nan 0.000 0.420 52 K N 4.166 124.561 120.400 -0.009 0.000 2.083 52 K HA 0.472 4.791 4.320 -0.000 0.000 0.246 52 K C 0.313 176.873 176.600 -0.067 0.000 1.160 52 K CA 0.193 56.504 56.287 0.039 0.000 1.060 52 K CB 0.314 32.791 32.500 -0.037 0.000 1.417 52 K HN 0.727 nan 8.250 nan 0.000 0.329 53 A N 1.799 124.691 122.820 0.119 0.000 2.665 53 A HA 0.276 4.596 4.320 -0.000 0.000 0.268 53 A C 0.889 178.704 177.584 0.384 0.000 1.044 53 A CA -0.135 51.994 52.037 0.153 0.000 0.993 53 A CB 0.155 19.293 19.000 0.231 0.000 1.229 53 A HN 0.614 nan 8.150 nan 0.000 0.576 54 G N -0.589 108.401 108.800 0.317 0.000 2.661 54 G HA2 0.273 4.233 3.960 -0.000 0.000 0.272 54 G HA3 0.273 4.233 3.960 -0.000 0.000 0.272 54 G C 1.170 176.143 174.900 0.122 0.000 1.296 54 G CA 0.556 45.747 45.100 0.152 0.000 0.998 54 G HN 0.223 nan 8.290 nan 0.000 0.553 55 S N -0.417 115.264 115.700 -0.032 0.000 2.387 55 S HA -0.202 4.268 4.470 -0.000 0.000 0.230 55 S C 2.469 176.990 174.600 -0.133 0.000 1.035 55 S CA 1.963 60.114 58.200 -0.082 0.000 1.014 55 S CB -0.308 62.795 63.200 -0.161 0.000 0.836 55 S HN 0.682 nan 8.310 nan 0.000 0.466 56 R N -0.275 120.048 120.500 -0.295 0.000 2.303 56 R HA -0.077 4.263 4.340 -0.000 0.000 0.225 56 R C 1.156 177.194 176.300 -0.436 0.000 1.114 56 R CA 1.713 57.558 56.100 -0.425 0.000 1.007 56 R CB -0.782 29.160 30.300 -0.597 0.000 0.861 56 R HN 0.487 nan 8.270 nan 0.000 0.471 57 Y N 0.774 121.053 120.300 -0.035 0.000 2.466 57 Y HA 0.241 4.790 4.550 -0.000 0.000 0.272 57 Y C 0.241 176.187 175.900 0.077 0.000 1.169 57 Y CA -0.554 57.507 58.100 -0.065 0.000 1.285 57 Y CB 0.237 38.450 38.460 -0.412 0.000 1.078 57 Y HN 0.155 nan 8.280 nan 0.000 0.523 58 E N 1.195 121.530 120.200 0.224 0.000 2.345 58 E HA 0.140 4.490 4.350 -0.000 0.000 0.259 58 E C -0.340 176.347 176.600 0.145 0.000 1.117 58 E CA -0.434 56.120 56.400 0.255 0.000 0.913 58 E CB 0.584 30.369 29.700 0.143 0.000 1.057 58 E HN 0.326 nan 8.360 nan 0.000 0.432 59 N N -1.619 117.163 118.700 0.137 0.000 3.201 59 N HA 0.075 4.815 4.740 -0.000 0.000 0.344 59 N C 0.240 175.800 175.510 0.083 0.000 1.465 59 N CA -0.489 52.615 53.050 0.091 0.000 0.731 59 N CB 0.261 38.801 38.487 0.090 0.000 1.677 59 N HN 0.299 nan 8.380 nan 0.000 0.631 60 S N -1.594 114.149 115.700 0.072 0.000 2.555 60 S HA 0.005 4.475 4.470 -0.000 0.000 0.230 60 S C 0.426 175.085 174.600 0.098 0.000 0.978 60 S CA 0.424 58.673 58.200 0.082 0.000 0.934 60 S CB -0.674 62.565 63.200 0.064 0.000 0.766 60 S HN 0.514 nan 8.310 nan 0.000 0.533 61 N N 2.786 121.537 118.700 0.085 0.000 2.392 61 N HA 0.063 4.803 4.740 -0.000 0.000 0.177 61 N C 0.340 175.895 175.510 0.075 0.000 1.066 61 N CA 0.668 53.768 53.050 0.083 0.000 0.895 61 N CB -0.078 38.448 38.487 0.065 0.000 0.988 61 N HN 0.805 nan 8.380 nan 0.000 0.457 62 N N 0.371 119.115 118.700 0.074 0.000 2.497 62 N HA 0.077 4.817 4.740 -0.000 0.000 0.284 62 N C -0.690 174.827 175.510 0.013 0.000 1.459 62 N CA -0.183 52.895 53.050 0.046 0.000 0.899 62 N CB -0.544 37.991 38.487 0.080 0.000 1.316 62 N HN -0.017 nan 8.380 nan 0.000 0.500 63 L N 0.189 121.418 121.223 0.010 0.000 2.490 63 L HA 0.325 4.665 4.340 -0.000 0.000 0.274 63 L C 1.565 178.379 176.870 -0.093 0.000 1.201 63 L CA 1.168 55.996 54.840 -0.020 0.000 0.869 63 L CB 0.301 42.372 42.059 0.020 0.000 1.123 63 L HN 0.536 nan 8.230 nan 0.000 0.484 64 G N 1.259 110.006 108.800 -0.088 0.000 2.268 64 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.240 64 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.240 64 G C 0.929 175.740 174.900 -0.148 0.000 1.010 64 G CA 0.445 45.492 45.100 -0.090 0.000 0.618 64 G HN 0.604 nan 8.290 nan 0.000 0.516 65 T N 1.604 116.036 114.554 -0.204 0.000 2.685 65 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 65 T C 2.702 177.129 174.700 -0.453 0.000 1.034 65 T CA 3.090 65.002 62.100 -0.314 0.000 1.149 65 T CB -0.440 68.247 68.868 -0.303 0.000 0.860 65 T HN 1.372 nan 8.240 nan 0.000 0.449 66 S N 0.098 115.471 115.700 -0.544 0.000 2.522 66 S HA -0.047 4.423 4.470 -0.000 0.000 0.227 66 S C 1.717 176.204 174.600 -0.188 0.000 0.986 66 S CA 0.689 58.590 58.200 -0.499 0.000 0.929 66 S CB -0.578 62.318 63.200 -0.507 0.000 0.769 66 S HN 0.774 nan 8.310 nan 0.000 0.529 67 H N 0.817 119.733 119.070 -0.256 0.000 2.294 67 H HA 0.165 4.721 4.556 -0.000 0.000 0.306 67 H C 2.206 177.439 175.328 -0.159 0.000 1.065 67 H CA 1.000 56.928 56.048 -0.200 0.000 1.343 67 H CB -0.190 29.471 29.762 -0.168 0.000 1.396 67 H HN 0.286 nan 8.280 nan 0.000 0.506 68 L N 1.067 122.179 121.223 -0.185 0.000 2.021 68 L HA -0.241 4.099 4.340 -0.000 0.000 0.215 68 L C 2.648 179.429 176.870 -0.148 0.000 1.074 68 L CA 1.277 55.976 54.840 -0.235 0.000 0.760 68 L CB -0.517 41.400 42.059 -0.237 0.000 0.889 68 L HN 0.479 nan 8.230 nan 0.000 0.433 69 L N -0.216 120.918 121.223 -0.149 0.000 1.989 69 L HA -0.322 4.018 4.340 -0.000 0.000 0.211 69 L C 2.814 179.715 176.870 0.050 0.000 1.071 69 L CA 1.766 56.579 54.840 -0.045 0.000 0.749 69 L CB -0.390 41.638 42.059 -0.051 0.000 0.890 69 L HN 0.341 nan 8.230 nan 0.000 0.431 70 R N -0.019 120.485 120.500 0.007 0.000 2.139 70 R HA -0.203 4.137 4.340 -0.000 0.000 0.243 70 R C 2.019 178.307 176.300 -0.020 0.000 1.145 70 R CA 1.528 57.610 56.100 -0.030 0.000 0.976 70 R CB -0.208 30.073 30.300 -0.032 0.000 0.866 70 R HN 0.436 nan 8.270 nan 0.000 0.449 71 L N -0.336 120.877 121.223 -0.016 0.000 2.558 71 L HA 0.162 4.502 4.340 -0.000 0.000 0.225 71 L C 1.308 178.175 176.870 -0.005 0.000 1.128 71 L CA 0.262 55.085 54.840 -0.029 0.000 0.868 71 L CB 0.221 42.224 42.059 -0.094 0.000 1.006 71 L HN 0.198 nan 8.230 nan 0.000 0.454 72 A N -0.476 122.369 122.820 0.041 0.000 2.708 72 A HA 0.149 4.469 4.320 -0.000 0.000 0.293 72 A C 1.803 179.459 177.584 0.119 0.000 1.303 72 A CA 0.250 52.337 52.037 0.083 0.000 0.949 72 A CB -0.229 18.859 19.000 0.147 0.000 1.121 72 A HN 0.329 nan 8.150 nan 0.000 0.542 73 S N -0.208 115.560 115.700 0.112 0.000 2.515 73 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 73 S C 1.452 176.092 174.600 0.068 0.000 0.987 73 S CA 1.169 59.464 58.200 0.158 0.000 0.936 73 S CB -0.409 62.896 63.200 0.175 0.000 0.766 73 S HN 0.916 nan 8.310 nan 0.000 0.528 74 S N 0.506 116.217 115.700 0.019 0.000 2.593 74 S HA 0.435 4.905 4.470 -0.000 0.000 0.236 74 S C 0.444 175.031 174.600 -0.021 0.000 0.991 74 S CA -0.771 57.414 58.200 -0.025 0.000 0.963 74 S CB -0.399 62.768 63.200 -0.055 0.000 0.865 74 S HN 0.403 nan 8.310 nan 0.000 0.488 75 L N 2.731 123.947 121.223 -0.011 0.000 2.474 75 L HA 0.251 4.591 4.340 -0.000 0.000 0.259 75 L C 1.188 178.021 176.870 -0.061 0.000 1.232 75 L CA -0.228 54.595 54.840 -0.029 0.000 0.821 75 L CB 0.028 42.070 42.059 -0.028 0.000 1.108 75 L HN 0.364 nan 8.230 nan 0.000 0.495 76 T N -1.644 112.871 114.554 -0.065 0.000 2.926 76 T HA 0.288 4.638 4.350 -0.000 0.000 0.307 76 T C 0.094 174.730 174.700 -0.107 0.000 1.059 76 T CA -0.624 61.446 62.100 -0.052 0.000 1.122 76 T CB 0.947 69.812 68.868 -0.006 0.000 0.972 76 T HN 0.788 nan 8.240 nan 0.000 0.545 77 T N -0.318 114.197 114.554 -0.065 0.000 2.927 77 T HA 0.531 4.881 4.350 -0.000 0.000 0.286 77 T C -0.420 174.249 174.700 -0.052 0.000 1.040 77 T CA -1.342 60.703 62.100 -0.092 0.000 1.010 77 T CB 1.120 69.948 68.868 -0.067 0.000 1.177 77 T HN 0.682 nan 8.240 nan 0.000 0.546 78 K N 0.489 120.854 120.400 -0.058 0.000 2.350 78 K HA 0.443 4.763 4.320 -0.000 0.000 0.279 78 K C 1.252 177.838 176.600 -0.023 0.000 1.027 78 K CA 0.268 56.537 56.287 -0.030 0.000 0.969 78 K CB 0.650 33.133 32.500 -0.029 0.000 0.954 78 K HN 1.148 nan 8.250 nan 0.000 0.474 79 G N 0.884 109.679 108.800 -0.008 0.000 2.299 79 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.237 79 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.237 79 G C -0.063 174.845 174.900 0.014 0.000 1.027 79 G CA -0.025 45.066 45.100 -0.014 0.000 0.619 79 G HN 0.973 nan 8.290 nan 0.000 0.513 80 A N -0.296 122.551 122.820 0.046 0.000 2.491 80 A HA 0.835 5.155 4.320 -0.000 0.000 0.293 80 A C 0.040 177.678 177.584 0.091 0.000 1.047 80 A CA 0.908 53.014 52.037 0.115 0.000 0.735 80 A CB 0.792 19.931 19.000 0.231 0.000 1.281 80 A HN 1.934 nan 8.150 nan 0.000 0.398 81 S N 1.254 117.019 115.700 0.109 0.000 2.655 81 S HA 0.484 4.953 4.470 -0.000 0.000 0.265 81 S C 1.404 176.051 174.600 0.078 0.000 1.240 81 S CA 0.428 58.686 58.200 0.098 0.000 0.986 81 S CB 1.335 64.619 63.200 0.140 0.000 0.985 81 S HN 1.443 nan 8.310 nan 0.000 0.562 82 S N 0.096 115.843 115.700 0.078 0.000 2.353 82 S HA -0.156 4.314 4.470 -0.000 0.000 0.222 82 S C 1.532 176.161 174.600 0.049 0.000 1.035 82 S CA 1.568 59.796 58.200 0.046 0.000 1.025 82 S CB -1.012 62.227 63.200 0.066 0.000 0.902 82 S HN 0.690 nan 8.310 nan 0.000 0.440 83 F N 2.249 122.193 119.950 -0.011 0.000 2.087 83 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 83 F C 2.286 178.066 175.800 -0.035 0.000 1.100 83 F CA 2.347 60.337 58.000 -0.016 0.000 1.226 83 F CB -0.460 38.544 39.000 0.007 0.000 0.983 83 F HN 0.188 nan 8.300 nan 0.000 0.479 84 K N 0.378 120.771 120.400 -0.012 0.000 2.057 84 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 84 K C 2.176 178.600 176.600 -0.294 0.000 1.050 84 K CA 1.820 58.058 56.287 -0.082 0.000 0.935 84 K CB -0.320 32.276 32.500 0.160 0.000 0.715 84 K HN 0.384 nan 8.250 nan 0.000 0.439 85 I N 0.686 121.049 120.570 -0.344 0.000 2.163 85 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 85 I C 2.175 177.881 176.117 -0.683 0.000 1.085 85 I CA 1.601 62.447 61.300 -0.757 0.000 1.347 85 I CB -0.434 37.334 38.000 -0.387 0.000 1.044 85 I HN 0.244 nan 8.210 nan 0.000 0.408 86 T N 0.418 114.727 114.554 -0.409 0.000 2.674 86 T HA -0.133 4.217 4.350 -0.000 0.000 0.265 86 T C 2.052 176.538 174.700 -0.356 0.000 1.039 86 T CA 1.104 63.006 62.100 -0.330 0.000 1.150 86 T CB -0.147 68.575 68.868 -0.244 0.000 0.864 86 T HN 0.182 nan 8.240 nan 0.000 0.427 87 R N 0.789 121.009 120.500 -0.466 0.000 2.090 87 R HA 0.114 4.454 4.340 -0.000 0.000 0.228 87 R C 2.828 178.980 176.300 -0.247 0.000 1.110 87 R CA 1.242 57.100 56.100 -0.403 0.000 0.973 87 R CB -1.368 28.555 30.300 -0.629 0.000 0.869 87 R HN 0.502 nan 8.270 nan 0.000 0.440 88 G N 1.137 109.795 108.800 -0.236 0.000 2.418 88 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 88 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 88 G C 1.627 176.526 174.900 -0.002 0.000 1.158 88 G CA 0.409 45.512 45.100 0.004 0.000 0.771 88 G HN 0.208 nan 8.290 nan 0.000 0.545 89 I N 1.251 121.667 120.570 -0.256 0.000 2.252 89 I HA -0.124 4.046 4.170 -0.000 0.000 0.245 89 I C 2.913 178.978 176.117 -0.086 0.000 1.102 89 I CA 1.610 62.823 61.300 -0.146 0.000 1.385 89 I CB -0.227 37.609 38.000 -0.273 0.000 1.064 89 I HN 0.450 nan 8.210 nan 0.000 0.414 90 E N 1.814 121.939 120.200 -0.125 0.000 2.285 90 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 90 E C 2.076 178.645 176.600 -0.053 0.000 0.997 90 E CA 0.948 57.298 56.400 -0.083 0.000 0.845 90 E CB -0.146 29.501 29.700 -0.088 0.000 0.782 90 E HN 0.414 nan 8.360 nan 0.000 0.491 91 A N 1.754 124.544 122.820 -0.050 0.000 2.019 91 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 91 A C 2.320 179.904 177.584 -0.000 0.000 1.164 91 A CA 1.514 53.539 52.037 -0.020 0.000 0.644 91 A CB -0.487 18.506 19.000 -0.011 0.000 0.805 91 A HN 0.359 nan 8.150 nan 0.000 0.449 92 V N -4.654 115.265 119.914 0.009 0.000 3.621 92 V HA 0.563 4.682 4.120 -0.000 0.000 0.285 92 V C 1.290 177.390 176.094 0.010 0.000 1.346 92 V CA 0.641 62.952 62.300 0.017 0.000 1.104 92 V CB -0.674 31.171 31.823 0.035 0.000 0.913 92 V HN 1.386 nan 8.190 nan 0.000 0.432 93 G N -0.299 108.500 108.800 -0.001 0.000 2.159 93 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.256 93 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.256 93 G C 0.637 175.536 174.900 -0.003 0.000 0.977 93 G CA 0.213 45.310 45.100 -0.004 0.000 0.652 93 G HN 1.321 nan 8.290 nan 0.000 0.531 94 G N -0.322 108.478 108.800 0.000 0.000 2.588 94 G HA2 0.675 4.635 3.960 -0.000 0.000 0.278 94 G HA3 0.675 4.635 3.960 -0.000 0.000 0.278 94 G C 0.047 174.940 174.900 -0.011 0.000 1.307 94 G CA 0.293 45.396 45.100 0.005 0.000 1.016 94 G HN 1.182 nan 8.290 nan 0.000 0.503 95 K N -2.097 118.299 120.400 -0.005 0.000 2.536 95 K HA 0.669 4.989 4.320 -0.000 0.000 0.269 95 K C -2.180 174.412 176.600 -0.012 0.000 0.965 95 K CA -1.003 55.273 56.287 -0.018 0.000 0.860 95 K CB 2.140 34.631 32.500 -0.015 0.000 1.423 95 K HN 0.540 nan 8.250 nan 0.000 0.438 96 L N 0.935 122.144 121.223 -0.025 0.000 2.446 96 L HA 0.503 4.843 4.340 -0.000 0.000 0.268 96 L C -1.746 175.107 176.870 -0.028 0.000 0.975 96 L CA 0.166 54.999 54.840 -0.012 0.000 0.848 96 L CB 2.044 44.093 42.059 -0.016 0.000 1.225 96 L HN 0.785 nan 8.230 nan 0.000 0.410 97 S N 2.904 118.578 115.700 -0.044 0.000 2.600 97 S HA 0.850 5.320 4.470 -0.000 0.000 0.300 97 S C -1.266 173.222 174.600 -0.188 0.000 1.087 97 S CA -0.556 57.590 58.200 -0.091 0.000 0.965 97 S CB 2.298 65.450 63.200 -0.080 0.000 1.089 97 S HN 0.728 nan 8.310 nan 0.000 0.496 98 V N 2.007 121.769 119.914 -0.253 0.000 2.482 98 V HA 0.687 4.807 4.120 -0.000 0.000 0.295 98 V C -1.079 174.837 176.094 -0.297 0.000 1.026 98 V CA -0.016 62.020 62.300 -0.440 0.000 0.856 98 V CB 1.449 32.806 31.823 -0.777 0.000 1.001 98 V HN 0.836 nan 8.190 nan 0.000 0.424 99 T N 5.734 120.116 114.554 -0.287 0.000 2.770 99 T HA 0.541 4.891 4.350 -0.000 0.000 0.283 99 T C -0.168 174.432 174.700 -0.166 0.000 0.988 99 T CA -0.136 61.856 62.100 -0.181 0.000 0.957 99 T CB 1.307 70.096 68.868 -0.132 0.000 0.930 99 T HN 0.759 nan 8.240 nan 0.000 0.443 100 S N 1.989 117.604 115.700 -0.141 0.000 2.537 100 S HA 0.816 5.286 4.470 -0.000 0.000 0.301 100 S C -0.001 174.543 174.600 -0.092 0.000 1.092 100 S CA -0.584 57.543 58.200 -0.121 0.000 1.048 100 S CB 1.799 64.903 63.200 -0.161 0.000 1.053 100 S HN 0.685 nan 8.310 nan 0.000 0.501 101 T N 0.877 115.398 114.554 -0.054 0.000 2.865 101 T HA 0.350 4.700 4.350 -0.000 0.000 0.294 101 T C 0.937 175.606 174.700 -0.052 0.000 1.119 101 T CA -0.747 61.342 62.100 -0.018 0.000 1.007 101 T CB 1.289 70.189 68.868 0.054 0.000 1.225 101 T HN 0.495 nan 8.240 nan 0.000 0.515 102 R N 0.395 120.849 120.500 -0.077 0.000 2.193 102 R HA -0.012 4.328 4.340 -0.000 0.000 0.229 102 R C 1.570 177.770 176.300 -0.167 0.000 1.110 102 R CA 1.297 57.283 56.100 -0.190 0.000 0.988 102 R CB 0.159 30.241 30.300 -0.363 0.000 0.871 102 R HN 0.610 nan 8.270 nan 0.000 0.458 103 E N -0.000 120.177 120.200 -0.037 0.000 2.244 103 E HA 0.000 4.350 4.350 -0.000 0.000 0.196 103 E C -0.066 176.625 176.600 0.151 0.000 0.939 103 E CA 0.391 56.807 56.400 0.028 0.000 0.884 103 E CB 0.288 30.045 29.700 0.095 0.000 0.850 103 E HN 0.406 nan 8.360 nan 0.000 0.481 104 N N -0.170 118.600 118.700 0.118 0.000 2.774 104 N HA 0.416 5.156 4.740 -0.000 0.000 0.264 104 N C -1.070 174.477 175.510 0.063 0.000 1.415 104 N CA -0.668 52.459 53.050 0.128 0.000 0.815 104 N CB 1.154 39.736 38.487 0.157 0.000 1.514 104 N HN -0.210 nan 8.380 nan 0.000 0.523 105 M N 0.077 119.697 119.600 0.033 0.000 2.456 105 M HA 0.726 5.205 4.480 -0.000 0.000 0.324 105 M C -1.263 174.964 176.300 -0.122 0.000 1.124 105 M CA -0.873 54.395 55.300 -0.054 0.000 0.959 105 M CB 2.392 34.998 32.600 0.010 0.000 1.692 105 M HN 0.816 nan 8.290 nan 0.000 0.444 106 A N 2.739 125.388 122.820 -0.286 0.000 2.375 106 A HA 0.676 4.995 4.320 -0.000 0.000 0.291 106 A C -1.903 175.407 177.584 -0.455 0.000 1.160 106 A CA -0.473 51.241 52.037 -0.538 0.000 0.747 106 A CB 0.518 19.034 19.000 -0.808 0.000 1.170 106 A HN 0.737 nan 8.150 nan 0.000 0.458 107 Y N 1.671 121.749 120.300 -0.372 0.000 2.404 107 Y HA 0.477 5.027 4.550 -0.000 0.000 0.344 107 Y C 0.811 176.578 175.900 -0.222 0.000 0.970 107 Y CA 0.235 58.206 58.100 -0.215 0.000 1.180 107 Y CB 1.662 40.048 38.460 -0.123 0.000 1.138 107 Y HN 0.565 nan 8.280 nan 0.000 0.510 108 T N 3.572 118.083 114.554 -0.073 0.000 2.856 108 T HA 0.635 4.985 4.350 -0.000 0.000 0.283 108 T C -1.010 173.691 174.700 0.003 0.000 1.008 108 T CA -0.640 61.428 62.100 -0.053 0.000 0.997 108 T CB 1.593 70.409 68.868 -0.086 0.000 0.992 108 T HN 0.299 nan 8.240 nan 0.000 0.454 109 V N 3.218 123.146 119.914 0.023 0.000 2.709 109 V HA 0.645 4.765 4.120 -0.000 0.000 0.308 109 V C -0.933 175.182 176.094 0.034 0.000 1.062 109 V CA -0.751 61.571 62.300 0.035 0.000 0.901 109 V CB 2.066 33.922 31.823 0.055 0.000 1.003 109 V HN 1.024 nan 8.190 nan 0.000 0.425 110 E N 4.954 125.172 120.200 0.030 0.000 2.367 110 E HA 0.870 5.220 4.350 -0.000 0.000 0.273 110 E C -1.025 175.593 176.600 0.029 0.000 0.903 110 E CA -0.683 55.735 56.400 0.030 0.000 0.764 110 E CB 2.310 32.026 29.700 0.026 0.000 1.252 110 E HN 0.961 nan 8.360 nan 0.000 0.446 111 C N -0.224 119.093 119.300 0.029 0.000 3.165 111 C HA 0.490 4.949 4.460 -0.000 0.000 0.345 111 C C -0.809 174.196 174.990 0.026 0.000 1.367 111 C CA -1.207 57.828 59.018 0.028 0.000 1.205 111 C CB -0.500 27.262 27.740 0.036 0.000 1.447 111 C HN 0.906 nan 8.230 nan 0.000 0.451 112 L N 1.197 122.434 121.223 0.023 0.000 2.472 112 L HA 0.390 4.730 4.340 -0.000 0.000 0.260 112 L C 2.032 178.916 176.870 0.023 0.000 1.209 112 L CA -0.373 54.480 54.840 0.023 0.000 0.817 112 L CB 0.127 42.198 42.059 0.020 0.000 1.106 112 L HN 0.908 nan 8.230 nan 0.000 0.479 113 R N 0.937 121.453 120.500 0.025 0.000 2.159 113 R HA -0.217 4.123 4.340 -0.000 0.000 0.249 113 R C 1.469 177.782 176.300 0.021 0.000 1.136 113 R CA 2.228 58.343 56.100 0.026 0.000 0.951 113 R CB -0.338 29.982 30.300 0.033 0.000 0.876 113 R HN 0.688 nan 8.270 nan 0.000 0.440 114 D N -0.115 120.297 120.400 0.020 0.000 2.378 114 D HA -0.093 4.547 4.640 -0.000 0.000 0.222 114 D C 0.173 176.479 176.300 0.011 0.000 0.980 114 D CA 0.926 54.935 54.000 0.015 0.000 0.907 114 D CB -0.004 40.804 40.800 0.015 0.000 0.899 114 D HN 0.417 nan 8.370 nan 0.000 0.527 115 D N 0.212 120.621 120.400 0.014 0.000 2.440 115 D HA -0.002 4.638 4.640 -0.000 0.000 0.216 115 D C 2.170 178.476 176.300 0.010 0.000 1.150 115 D CA 0.074 54.082 54.000 0.013 0.000 0.832 115 D CB 1.124 41.940 40.800 0.026 0.000 0.992 115 D HN 0.106 nan 8.370 nan 0.000 0.502 116 V N -0.947 118.972 119.914 0.008 0.000 2.469 116 V HA -0.258 3.862 4.120 -0.000 0.000 0.251 116 V C 1.555 177.639 176.094 -0.018 0.000 1.064 116 V CA 1.696 63.999 62.300 0.004 0.000 1.066 116 V CB -0.464 31.362 31.823 0.006 0.000 0.667 116 V HN -0.135 nan 8.190 nan 0.000 0.461 117 D N 0.660 121.040 120.400 -0.033 0.000 2.084 117 D HA -0.120 4.520 4.640 -0.000 0.000 0.194 117 D C 1.931 178.155 176.300 -0.127 0.000 0.990 117 D CA 1.796 55.756 54.000 -0.067 0.000 0.826 117 D CB -0.414 40.352 40.800 -0.057 0.000 0.971 117 D HN 0.543 nan 8.370 nan 0.000 0.453 118 I N 0.180 120.671 120.570 -0.132 0.000 2.315 118 I HA -0.140 4.030 4.170 -0.000 0.000 0.248 118 I C 1.900 177.872 176.117 -0.242 0.000 1.117 118 I CA 0.947 62.085 61.300 -0.269 0.000 1.404 118 I CB -0.211 37.674 38.000 -0.193 0.000 1.071 118 I HN -0.068 nan 8.210 nan 0.000 0.419 119 L N -0.843 120.377 121.223 -0.005 0.000 2.093 119 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 119 L C 2.472 179.366 176.870 0.040 0.000 1.085 119 L CA 1.582 56.494 54.840 0.119 0.000 0.755 119 L CB -0.633 41.492 42.059 0.109 0.000 0.904 119 L HN 0.319 nan 8.230 nan 0.000 0.435 120 M N -0.119 119.458 119.600 -0.038 0.000 2.086 120 M HA -0.243 4.237 4.480 -0.000 0.000 0.261 120 M C 2.211 178.434 176.300 -0.129 0.000 1.067 120 M CA 1.867 57.130 55.300 -0.062 0.000 1.116 120 M CB -0.368 32.190 32.600 -0.069 0.000 1.348 120 M HN 0.275 nan 8.290 nan 0.000 0.407 121 E N -0.902 119.159 120.200 -0.231 0.000 2.106 121 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 121 E C 1.868 178.315 176.600 -0.255 0.000 0.984 121 E CA 1.412 57.612 56.400 -0.335 0.000 0.806 121 E CB -0.365 29.077 29.700 -0.431 0.000 0.750 121 E HN 0.654 nan 8.360 nan 0.000 0.458 122 F N 0.809 120.700 119.950 -0.098 0.000 2.146 122 F HA -0.178 4.349 4.527 -0.000 0.000 0.298 122 F C 2.470 178.222 175.800 -0.079 0.000 1.096 122 F CA 0.451 58.403 58.000 -0.079 0.000 1.275 122 F CB -0.114 38.853 39.000 -0.055 0.000 1.008 122 F HN 0.131 nan 8.300 nan 0.000 0.480 123 L N 0.493 121.785 121.223 0.115 0.000 2.012 123 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 123 L C 2.248 179.091 176.870 -0.044 0.000 1.073 123 L CA 1.887 56.749 54.840 0.037 0.000 0.748 123 L CB -0.685 41.387 42.059 0.022 0.000 0.891 123 L HN 0.244 nan 8.230 nan 0.000 0.431 124 L N -0.342 120.828 121.223 -0.087 0.000 2.083 124 L HA -0.258 4.082 4.340 -0.000 0.000 0.209 124 L C 2.405 179.207 176.870 -0.114 0.000 1.083 124 L CA 1.122 55.885 54.840 -0.128 0.000 0.752 124 L CB -0.681 41.226 42.059 -0.253 0.000 0.899 124 L HN 0.396 nan 8.230 nan 0.000 0.433 125 N N -0.240 118.401 118.700 -0.098 0.000 2.142 125 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 125 N C 1.893 177.359 175.510 -0.073 0.000 1.023 125 N CA 1.265 54.271 53.050 -0.073 0.000 0.852 125 N CB -0.158 38.314 38.487 -0.025 0.000 0.998 125 N HN 0.114 nan 8.380 nan 0.000 0.424 126 V N 1.223 121.106 119.914 -0.052 0.000 2.295 126 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 126 V C 2.453 178.468 176.094 -0.130 0.000 1.049 126 V CA 2.244 64.504 62.300 -0.068 0.000 1.024 126 V CB -0.975 30.848 31.823 0.000 0.000 0.648 126 V HN 0.531 nan 8.190 nan 0.000 0.447 127 T N -2.793 111.653 114.554 -0.179 0.000 3.067 127 T HA -0.051 4.299 4.350 -0.000 0.000 0.257 127 T C 1.422 176.129 174.700 0.012 0.000 1.105 127 T CA 1.239 63.251 62.100 -0.148 0.000 1.104 127 T CB -0.073 68.628 68.868 -0.277 0.000 0.925 127 T HN 0.600 nan 8.240 nan 0.000 0.498 128 T N -2.403 112.131 114.554 -0.033 0.000 3.058 128 T HA 0.668 5.018 4.350 -0.000 0.000 0.278 128 T C 0.970 175.650 174.700 -0.033 0.000 0.974 128 T CA 0.114 62.214 62.100 -0.001 0.000 0.893 128 T CB 0.344 69.226 68.868 0.024 0.000 1.138 128 T HN 0.417 nan 8.240 nan 0.000 0.529 129 A N 1.719 124.491 122.820 -0.081 0.000 2.573 129 A HA 0.619 4.939 4.320 -0.000 0.000 0.269 129 A C -3.074 174.399 177.584 -0.185 0.000 0.901 129 A CA -0.958 51.022 52.037 -0.095 0.000 1.066 129 A CB 0.323 19.281 19.000 -0.070 0.000 1.221 129 A HN 0.331 nan 8.150 nan 0.000 0.483 130 P HA 0.224 nan 4.420 nan 0.000 0.271 130 P C 0.362 177.280 177.300 -0.637 0.000 1.216 130 P CA 0.308 63.045 63.100 -0.606 0.000 0.776 130 P CB 0.920 31.962 31.700 -1.097 0.000 0.881 131 E N 1.549 121.451 120.200 -0.497 0.000 2.318 131 E HA 0.053 4.403 4.350 -0.000 0.000 0.193 131 E C -0.096 176.338 176.600 -0.276 0.000 0.998 131 E CA -0.018 56.223 56.400 -0.264 0.000 0.859 131 E CB -0.395 29.213 29.700 -0.153 0.000 0.812 131 E HN 0.431 nan 8.360 nan 0.000 0.492 132 F N 1.511 121.332 119.950 -0.214 0.000 2.861 132 F HA -0.288 4.239 4.527 -0.000 0.000 0.230 132 F C 0.145 175.802 175.800 -0.239 0.000 1.020 132 F CA -0.052 57.785 58.000 -0.272 0.000 0.852 132 F CB -1.682 37.044 39.000 -0.456 0.000 0.724 132 F HN -0.057 nan 8.300 nan 0.000 0.843 133 R N 0.891 121.228 120.500 -0.272 0.000 2.538 133 R HA 0.015 4.354 4.340 -0.000 0.000 0.282 133 R C 1.654 177.588 176.300 -0.610 0.000 1.009 133 R CA 0.053 55.775 56.100 -0.630 0.000 1.063 133 R CB 0.300 29.920 30.300 -1.133 0.000 0.945 133 R HN 0.466 nan 8.270 nan 0.000 0.414 134 R N 2.789 123.003 120.500 -0.476 0.000 2.153 134 R HA -0.231 4.109 4.340 -0.000 0.000 0.252 134 R C 1.430 177.683 176.300 -0.079 0.000 1.158 134 R CA 2.553 58.549 56.100 -0.173 0.000 0.975 134 R CB -0.108 30.193 30.300 0.001 0.000 0.871 134 R HN 0.845 nan 8.270 nan 0.000 0.450 135 W N -0.144 121.177 121.300 0.035 0.000 2.523 135 W HA 0.177 4.837 4.660 -0.000 0.000 0.278 135 W C 1.341 177.873 176.519 0.022 0.000 1.236 135 W CA 0.497 57.856 57.345 0.023 0.000 1.306 135 W CB -0.293 29.177 29.460 0.017 0.000 1.101 135 W HN -0.005 nan 8.180 nan 0.000 0.577 136 E N 1.326 121.375 120.200 -0.252 0.000 2.072 136 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 136 E C 2.416 178.990 176.600 -0.044 0.000 0.985 136 E CA 2.101 58.455 56.400 -0.077 0.000 0.801 136 E CB -0.463 29.144 29.700 -0.154 0.000 0.750 136 E HN 0.337 nan 8.360 nan 0.000 0.452 137 V N -0.794 119.071 119.914 -0.083 0.000 2.626 137 V HA -0.048 4.072 4.120 -0.000 0.000 0.252 137 V C 2.229 178.303 176.094 -0.033 0.000 1.067 137 V CA 1.517 63.786 62.300 -0.050 0.000 1.081 137 V CB -0.531 31.252 31.823 -0.066 0.000 0.686 137 V HN 0.176 nan 8.190 nan 0.000 0.468 138 A N 0.856 123.675 122.820 -0.002 0.000 1.898 138 A HA 0.160 4.480 4.320 -0.000 0.000 0.216 138 A C 2.492 180.090 177.584 0.023 0.000 1.181 138 A CA 2.042 54.091 52.037 0.020 0.000 0.620 138 A CB -1.063 17.975 19.000 0.063 0.000 0.819 138 A HN 0.979 nan 8.150 nan 0.000 0.442 139 A N -0.676 122.171 122.820 0.046 0.000 2.019 139 A HA 0.021 4.341 4.320 -0.000 0.000 0.219 139 A C 2.128 179.719 177.584 0.012 0.000 1.164 139 A CA 1.325 53.387 52.037 0.042 0.000 0.644 139 A CB -0.446 18.598 19.000 0.073 0.000 0.805 139 A HN 0.488 nan 8.150 nan 0.000 0.449 140 L N -0.782 120.438 121.223 -0.005 0.000 2.179 140 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 140 L C 2.621 179.456 176.870 -0.058 0.000 1.096 140 L CA 0.750 55.572 54.840 -0.031 0.000 0.779 140 L CB -0.373 41.662 42.059 -0.040 0.000 0.922 140 L HN 0.462 nan 8.230 nan 0.000 0.443 141 Q N 0.247 120.012 119.800 -0.059 0.000 2.118 141 Q HA -0.238 4.102 4.340 -0.000 0.000 0.211 141 Q C -0.426 175.531 176.000 -0.072 0.000 0.998 141 Q CA 1.972 57.729 55.803 -0.077 0.000 0.872 141 Q CB -1.901 26.801 28.738 -0.060 0.000 0.925 141 Q HN 0.489 nan 8.270 nan 0.000 0.414 142 P HA -0.087 nan 4.420 nan 0.000 0.225 142 P C 1.262 178.535 177.300 -0.045 0.000 1.148 142 P CA 0.925 64.003 63.100 -0.037 0.000 0.779 142 P CB -0.069 31.620 31.700 -0.019 0.000 0.780 143 Q N -0.677 119.088 119.800 -0.058 0.000 2.291 143 Q HA -0.056 4.284 4.340 -0.000 0.000 0.205 143 Q C 2.001 177.947 176.000 -0.090 0.000 0.970 143 Q CA 0.958 56.725 55.803 -0.060 0.000 0.876 143 Q CB -0.587 28.118 28.738 -0.055 0.000 0.935 143 Q HN 0.369 nan 8.270 nan 0.000 0.455 144 L N -0.158 120.975 121.223 -0.151 0.000 2.083 144 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 144 L C 2.648 179.497 176.870 -0.035 0.000 1.083 144 L CA 1.346 56.051 54.840 -0.224 0.000 0.752 144 L CB -0.335 41.566 42.059 -0.263 0.000 0.899 144 L HN 0.129 nan 8.230 nan 0.000 0.433 145 R N 0.197 120.678 120.500 -0.031 0.000 2.075 145 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 145 R C 2.229 178.529 176.300 0.000 0.000 1.126 145 R CA 1.264 57.360 56.100 -0.006 0.000 0.963 145 R CB -0.019 30.273 30.300 -0.014 0.000 0.858 145 R HN 0.133 nan 8.270 nan 0.000 0.435 146 I N 1.460 122.028 120.570 -0.004 0.000 2.202 146 I HA -0.201 3.969 4.170 -0.000 0.000 0.242 146 I C 1.894 178.019 176.117 0.014 0.000 1.091 146 I CA 1.539 62.838 61.300 -0.001 0.000 1.368 146 I CB -1.337 36.661 38.000 -0.003 0.000 1.058 146 I HN 0.274 nan 8.210 nan 0.000 0.410 147 D N 0.749 121.179 120.400 0.050 0.000 2.117 147 D HA -0.230 4.410 4.640 -0.000 0.000 0.197 147 D C 2.307 178.670 176.300 0.105 0.000 0.987 147 D CA 1.383 55.454 54.000 0.118 0.000 0.829 147 D CB 0.091 41.030 40.800 0.231 0.000 0.961 147 D HN 0.174 nan 8.370 nan 0.000 0.460 148 K N -0.221 120.253 120.400 0.123 0.000 2.025 148 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 148 K C 2.066 178.560 176.600 -0.178 0.000 1.049 148 K CA 1.155 57.403 56.287 -0.066 0.000 0.933 148 K CB -0.211 32.311 32.500 0.037 0.000 0.714 148 K HN 0.129 nan 8.250 nan 0.000 0.438 149 A N 0.881 123.649 122.820 -0.086 0.000 1.883 149 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 149 A C 2.261 179.787 177.584 -0.097 0.000 1.186 149 A CA 1.856 53.841 52.037 -0.088 0.000 0.624 149 A CB -0.857 18.116 19.000 -0.046 0.000 0.822 149 A HN 0.184 nan 8.150 nan 0.000 0.444 150 V N -0.117 119.754 119.914 -0.072 0.000 2.231 150 V HA -0.331 3.788 4.120 -0.000 0.000 0.248 150 V C 3.090 179.123 176.094 -0.102 0.000 1.054 150 V CA 2.325 64.588 62.300 -0.062 0.000 1.015 150 V CB -1.371 30.435 31.823 -0.028 0.000 0.638 150 V HN 0.654 nan 8.190 nan 0.000 0.444 151 A N -0.659 122.060 122.820 -0.168 0.000 1.908 151 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 151 A C 1.902 179.326 177.584 -0.266 0.000 1.181 151 A CA 1.746 53.636 52.037 -0.245 0.000 0.627 151 A CB -0.546 18.168 19.000 -0.478 0.000 0.818 151 A HN 0.444 nan 8.150 nan 0.000 0.445 152 L N -0.079 120.959 121.223 -0.309 0.000 2.675 152 L HA 0.065 4.405 4.340 -0.000 0.000 0.239 152 L C 1.992 178.788 176.870 -0.124 0.000 1.151 152 L CA 0.904 55.599 54.840 -0.241 0.000 0.905 152 L CB -0.694 41.188 42.059 -0.296 0.000 1.057 152 L HN 0.460 nan 8.230 nan 0.000 0.435 153 Q N -0.492 119.247 119.800 -0.101 0.000 2.378 153 Q HA 0.047 4.387 4.340 -0.000 0.000 0.205 153 Q C -0.033 175.936 176.000 -0.051 0.000 0.954 153 Q CA 0.373 56.139 55.803 -0.060 0.000 0.901 153 Q CB 0.197 28.907 28.738 -0.047 0.000 0.981 153 Q HN 0.624 nan 8.270 nan 0.000 0.483 154 N N 0.819 119.483 118.700 -0.060 0.000 2.425 154 N HA 0.129 4.869 4.740 -0.000 0.000 0.268 154 N C -2.392 173.073 175.510 -0.074 0.000 0.991 154 N CA -1.536 51.484 53.050 -0.050 0.000 0.931 154 N CB 1.470 39.942 38.487 -0.025 0.000 1.130 154 N HN -0.119 nan 8.380 nan 0.000 0.493 155 P HA -0.163 nan 4.420 nan 0.000 0.218 155 P C 0.982 178.221 177.300 -0.102 0.000 1.148 155 P CA 1.294 64.245 63.100 -0.248 0.000 0.822 155 P CB 0.323 31.564 31.700 -0.765 0.000 0.784 156 Q N -0.114 119.675 119.800 -0.018 0.000 2.112 156 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 156 Q C 2.293 178.381 176.000 0.147 0.000 0.987 156 Q CA 2.246 58.142 55.803 0.154 0.000 0.858 156 Q CB -1.409 27.365 28.738 0.060 0.000 0.905 156 Q HN 0.224 nan 8.270 nan 0.000 0.420 157 A N -0.375 122.489 122.820 0.074 0.000 1.898 157 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 157 A C 1.837 179.484 177.584 0.104 0.000 1.181 157 A CA 1.696 53.777 52.037 0.073 0.000 0.620 157 A CB -0.784 18.195 19.000 -0.035 0.000 0.819 157 A HN 0.540 nan 8.150 nan 0.000 0.442 158 H N -1.003 118.065 119.070 -0.002 0.000 2.321 158 H HA -0.090 4.466 4.556 -0.000 0.000 0.300 158 H C 2.074 177.426 175.328 0.040 0.000 1.087 158 H CA 1.360 57.410 56.048 0.003 0.000 1.319 158 H CB 0.145 29.887 29.762 -0.034 0.000 1.379 158 H HN 0.236 nan 8.280 nan 0.000 0.501 159 V N 0.812 120.846 119.914 0.200 0.000 2.255 159 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 159 V C 2.405 178.592 176.094 0.154 0.000 1.051 159 V CA 2.066 64.443 62.300 0.129 0.000 1.018 159 V CB -0.445 31.462 31.823 0.139 0.000 0.641 159 V HN 0.435 nan 8.190 nan 0.000 0.445 160 I N -0.364 120.345 120.570 0.232 0.000 2.286 160 I HA -0.195 3.974 4.170 -0.000 0.000 0.248 160 I C 2.643 178.967 176.117 0.346 0.000 1.115 160 I CA 1.288 62.756 61.300 0.279 0.000 1.392 160 I CB -0.369 37.842 38.000 0.352 0.000 1.065 160 I HN 0.365 nan 8.210 nan 0.000 0.418 161 E N 0.701 121.057 120.200 0.260 0.000 2.047 161 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 161 E C 1.809 178.545 176.600 0.226 0.000 0.987 161 E CA 1.289 57.827 56.400 0.230 0.000 0.799 161 E CB -0.539 29.264 29.700 0.172 0.000 0.752 161 E HN 0.619 nan 8.360 nan 0.000 0.449 162 N N 1.070 119.892 118.700 0.203 0.000 2.289 162 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 162 N C 1.969 177.529 175.510 0.084 0.000 1.016 162 N CA 0.194 53.319 53.050 0.126 0.000 0.872 162 N CB -0.004 38.516 38.487 0.055 0.000 0.973 162 N HN 0.050 nan 8.380 nan 0.000 0.433 163 L N 0.440 121.713 121.223 0.084 0.000 2.046 163 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 163 L C 1.425 178.295 176.870 0.000 0.000 1.077 163 L CA 1.926 56.757 54.840 -0.015 0.000 0.747 163 L CB -0.304 41.702 42.059 -0.088 0.000 0.896 163 L HN 0.323 nan 8.230 nan 0.000 0.432 164 H N -0.962 118.177 119.070 0.116 0.000 2.448 164 H HA 0.086 4.642 4.556 -0.000 0.000 0.292 164 H C 2.181 177.618 175.328 0.182 0.000 1.035 164 H CA 1.045 57.219 56.048 0.209 0.000 1.349 164 H CB 0.093 29.982 29.762 0.212 0.000 1.425 164 H HN 0.426 nan 8.280 nan 0.000 0.539 165 A N 0.612 123.571 122.820 0.231 0.000 1.969 165 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 165 A C 2.376 180.019 177.584 0.097 0.000 1.169 165 A CA 1.474 53.604 52.037 0.155 0.000 0.635 165 A CB -0.722 18.351 19.000 0.122 0.000 0.810 165 A HN 0.456 nan 8.150 nan 0.000 0.445 166 A N -0.425 122.414 122.820 0.031 0.000 1.903 166 A HA 0.377 4.697 4.320 -0.000 0.000 0.213 166 A C 2.417 179.895 177.584 -0.177 0.000 1.185 166 A CA 1.399 53.403 52.037 -0.055 0.000 0.628 166 A CB -0.843 18.100 19.000 -0.096 0.000 0.830 166 A HN 0.955 nan 8.150 nan 0.000 0.446 167 A N -1.723 120.952 122.820 -0.242 0.000 2.019 167 A HA 0.195 4.515 4.320 -0.000 0.000 0.219 167 A C 0.628 177.744 177.584 -0.780 0.000 1.164 167 A CA 0.784 52.456 52.037 -0.608 0.000 0.644 167 A CB -0.347 18.319 19.000 -0.557 0.000 0.805 167 A HN 0.523 nan 8.150 nan 0.000 0.449 168 Y N -2.374 117.884 120.300 -0.070 0.000 2.536 168 Y HA 0.476 5.026 4.550 -0.000 0.000 0.347 168 Y C 1.153 177.068 175.900 0.026 0.000 1.000 168 Y CA -1.086 57.006 58.100 -0.013 0.000 1.051 168 Y CB 1.569 40.045 38.460 0.026 0.000 1.259 168 Y HN -0.023 nan 8.280 nan 0.000 0.468 169 R N 0.889 121.496 120.500 0.177 0.000 2.200 169 R HA 0.053 4.393 4.340 -0.000 0.000 0.208 169 R C -0.096 176.231 176.300 0.045 0.000 1.033 169 R CA 0.821 56.935 56.100 0.024 0.000 1.000 169 R CB -0.132 30.129 30.300 -0.065 0.000 0.906 169 R HN 0.735 nan 8.270 nan 0.000 0.462 170 N N -1.667 117.079 118.700 0.078 0.000 3.449 170 N HA 0.236 4.976 4.740 -0.000 0.000 0.312 170 N C 0.215 175.699 175.510 -0.042 0.000 1.557 170 N CA -0.021 53.041 53.050 0.020 0.000 0.864 170 N CB 0.351 38.843 38.487 0.009 0.000 1.799 170 N HN -0.096 nan 8.380 nan 0.000 0.554 171 A N 0.285 123.055 122.820 -0.083 0.000 4.920 171 A HA -0.340 3.980 4.320 -0.000 0.000 0.357 171 A C 1.654 179.069 177.584 -0.282 0.000 1.642 171 A CA 2.804 54.727 52.037 -0.189 0.000 0.716 171 A CB -2.201 16.671 19.000 -0.213 0.000 1.508 171 A HN 0.723 nan 8.150 nan 0.000 0.443 172 L N -0.224 120.732 121.223 -0.446 0.000 2.353 172 L HA -0.007 4.333 4.340 -0.000 0.000 0.220 172 L C 2.895 179.630 176.870 -0.224 0.000 1.133 172 L CA 1.091 55.593 54.840 -0.564 0.000 0.798 172 L CB -0.537 40.857 42.059 -1.109 0.000 0.922 172 L HN 0.773 nan 8.230 nan 0.000 0.445 173 A N -0.284 122.500 122.820 -0.060 0.000 2.066 173 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 173 A C 0.911 178.527 177.584 0.053 0.000 1.157 173 A CA 0.289 52.400 52.037 0.124 0.000 0.670 173 A CB -0.669 18.423 19.000 0.154 0.000 0.804 173 A HN 0.474 nan 8.150 nan 0.000 0.453 174 N N 0.428 119.111 118.700 -0.028 0.000 2.441 174 N HA 0.216 4.956 4.740 -0.000 0.000 0.251 174 N C 0.120 175.598 175.510 -0.053 0.000 1.242 174 N CA 0.178 53.208 53.050 -0.033 0.000 0.898 174 N CB 0.414 38.858 38.487 -0.071 0.000 1.100 174 N HN 0.289 nan 8.380 nan 0.000 0.443 175 S N 1.218 116.902 115.700 -0.027 0.000 2.652 175 S HA 0.187 4.657 4.470 -0.000 0.000 0.270 175 S C 1.021 175.535 174.600 -0.143 0.000 1.243 175 S CA -0.756 57.420 58.200 -0.040 0.000 0.999 175 S CB 0.747 63.967 63.200 0.034 0.000 0.973 175 S HN 0.400 nan 8.310 nan 0.000 0.544 176 L N 2.181 123.265 121.223 -0.232 0.000 2.376 176 L HA 0.293 4.633 4.340 -0.000 0.000 0.219 176 L C -0.383 175.953 176.870 -0.891 0.000 1.133 176 L CA 1.188 55.700 54.840 -0.546 0.000 0.816 176 L CB -1.191 40.432 42.059 -0.726 0.000 0.933 176 L HN 0.638 nan 8.230 nan 0.000 0.449 177 Y N -2.643 117.482 120.300 -0.291 0.000 2.468 177 Y HA 0.315 4.865 4.550 -0.000 0.000 0.342 177 Y C 0.471 176.311 175.900 -0.100 0.000 1.021 177 Y CA -1.083 56.789 58.100 -0.380 0.000 1.079 177 Y CB 1.146 39.438 38.460 -0.280 0.000 1.226 177 Y HN -0.278 nan 8.280 nan 0.000 0.460 178 C N 5.287 124.754 119.300 0.278 0.000 2.634 178 C HA 0.241 4.701 4.460 -0.000 0.000 0.418 178 C C -2.160 172.868 174.990 0.063 0.000 1.373 178 C CA -1.548 57.556 59.018 0.144 0.000 1.756 178 C CB -0.658 27.168 27.740 0.143 0.000 2.589 178 C HN 0.496 nan 8.230 nan 0.000 0.602 179 P HA 0.098 nan 4.420 nan 0.000 0.265 179 P C 0.350 177.621 177.300 -0.048 0.000 1.193 179 P CA 0.375 63.481 63.100 0.010 0.000 0.765 179 P CB 0.533 32.255 31.700 0.037 0.000 0.823 180 D N 1.950 122.373 120.400 0.039 0.000 2.116 180 D HA -0.233 4.407 4.640 -0.000 0.000 0.193 180 D C 1.693 178.007 176.300 0.023 0.000 0.998 180 D CA 1.824 55.843 54.000 0.032 0.000 0.836 180 D CB -0.995 39.845 40.800 0.067 0.000 0.951 180 D HN 0.619 nan 8.370 nan 0.000 0.449 181 Y N 0.320 120.630 120.300 0.016 0.000 2.384 181 Y HA -0.060 4.490 4.550 -0.000 0.000 0.289 181 Y C 1.760 177.664 175.900 0.007 0.000 1.152 181 Y CA 1.007 59.114 58.100 0.011 0.000 1.258 181 Y CB -0.150 38.317 38.460 0.012 0.000 0.979 181 Y HN -0.190 nan 8.280 nan 0.000 0.549 182 R N 1.002 121.077 120.500 -0.708 0.000 2.280 182 R HA 0.245 4.585 4.340 -0.000 0.000 0.195 182 R C 0.272 176.422 176.300 -0.249 0.000 0.935 182 R CA -0.003 55.757 56.100 -0.567 0.000 1.033 182 R CB -0.152 29.769 30.300 -0.632 0.000 0.964 182 R HN 0.387 nan 8.270 nan 0.000 0.489 183 I N 1.004 121.476 120.570 -0.164 0.000 2.668 183 I HA -0.082 4.087 4.170 -0.000 0.000 0.285 183 I C 1.311 177.382 176.117 -0.076 0.000 1.168 183 I CA 1.117 62.355 61.300 -0.103 0.000 1.424 183 I CB 0.559 38.521 38.000 -0.063 0.000 1.377 183 I HN 0.432 nan 8.210 nan 0.000 0.560 184 G N 4.990 113.745 108.800 -0.076 0.000 2.217 184 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.246 184 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.246 184 G C 0.962 175.832 174.900 -0.050 0.000 0.990 184 G CA 0.217 45.286 45.100 -0.051 0.000 0.627 184 G HN 0.566 nan 8.290 nan 0.000 0.522 185 K N -0.026 120.330 120.400 -0.073 0.000 2.348 185 K HA 0.435 4.755 4.320 -0.000 0.000 0.194 185 K C 1.319 177.873 176.600 -0.077 0.000 1.052 185 K CA 0.633 56.882 56.287 -0.064 0.000 1.004 185 K CB 0.579 33.035 32.500 -0.073 0.000 0.873 185 K HN 0.809 nan 8.250 nan 0.000 0.523 186 V N 2.463 122.311 119.914 -0.110 0.000 2.585 186 V HA 0.175 4.295 4.120 -0.000 0.000 0.296 186 V C -0.178 175.849 176.094 -0.110 0.000 1.035 186 V CA 0.112 62.340 62.300 -0.121 0.000 1.084 186 V CB 0.398 32.126 31.823 -0.159 0.000 0.953 186 V HN 0.475 nan 8.190 nan 0.000 0.483 187 T N 4.288 118.782 114.554 -0.099 0.000 2.925 187 T HA 0.583 4.933 4.350 -0.000 0.000 0.285 187 T C -1.734 172.896 174.700 -0.118 0.000 1.021 187 T CA -1.764 60.287 62.100 -0.082 0.000 1.042 187 T CB 1.542 70.388 68.868 -0.037 0.000 1.037 187 T HN 0.484 nan 8.240 nan 0.000 0.481 188 P HA -0.196 nan 4.420 nan 0.000 0.217 188 P C 1.819 179.126 177.300 0.013 0.000 1.158 188 P CA 1.008 64.073 63.100 -0.058 0.000 0.887 188 P CB -0.200 31.534 31.700 0.057 0.000 0.792 189 V N 0.257 120.206 119.914 0.058 0.000 2.343 189 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 189 V C 1.981 178.093 176.094 0.030 0.000 1.051 189 V CA 2.117 64.472 62.300 0.091 0.000 1.036 189 V CB -1.123 30.732 31.823 0.053 0.000 0.654 189 V HN 0.111 nan 8.190 nan 0.000 0.451 190 E N 0.121 120.300 120.200 -0.035 0.000 2.130 190 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 190 E C 2.163 178.689 176.600 -0.124 0.000 0.998 190 E CA 1.961 58.333 56.400 -0.048 0.000 0.806 190 E CB -0.316 29.346 29.700 -0.063 0.000 0.738 190 E HN 0.640 nan 8.360 nan 0.000 0.459 191 L N 0.226 121.240 121.223 -0.349 0.000 2.072 191 L HA -0.155 4.185 4.340 -0.000 0.000 0.205 191 L C 2.539 179.086 176.870 -0.539 0.000 1.079 191 L CA 0.951 55.353 54.840 -0.731 0.000 0.752 191 L CB -0.488 40.615 42.059 -1.594 0.000 0.906 191 L HN 0.216 nan 8.230 nan 0.000 0.436 192 H N 0.016 118.966 119.070 -0.199 0.000 2.352 192 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 192 H C 1.776 177.111 175.328 0.012 0.000 1.097 192 H CA 1.714 57.818 56.048 0.094 0.000 1.311 192 H CB -0.080 29.750 29.762 0.114 0.000 1.377 192 H HN 0.345 nan 8.280 nan 0.000 0.504 193 D N -0.157 120.300 120.400 0.095 0.000 2.178 193 D HA -0.140 4.500 4.640 -0.000 0.000 0.202 193 D C 2.018 178.330 176.300 0.020 0.000 0.974 193 D CA 0.692 54.718 54.000 0.043 0.000 0.841 193 D CB -0.420 40.401 40.800 0.036 0.000 0.953 193 D HN 0.377 nan 8.370 nan 0.000 0.478 194 Y N 0.714 120.976 120.300 -0.063 0.000 2.286 194 Y HA -0.114 4.436 4.550 -0.000 0.000 0.293 194 Y C 2.212 178.102 175.900 -0.017 0.000 1.124 194 Y CA 0.780 58.913 58.100 0.054 0.000 1.178 194 Y CB 0.018 38.507 38.460 0.048 0.000 1.010 194 Y HN -0.229 nan 8.280 nan 0.000 0.536 195 V N 1.236 121.096 119.914 -0.090 0.000 2.358 195 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 195 V C 2.303 178.290 176.094 -0.178 0.000 1.047 195 V CA 2.359 64.379 62.300 -0.465 0.000 1.035 195 V CB -0.741 30.834 31.823 -0.413 0.000 0.658 195 V HN 0.597 nan 8.190 nan 0.000 0.452 196 Q N 1.332 121.086 119.800 -0.076 0.000 2.245 196 Q HA -0.151 4.189 4.340 -0.000 0.000 0.201 196 Q C 1.682 177.618 176.000 -0.106 0.000 0.955 196 Q CA 1.750 57.525 55.803 -0.047 0.000 0.870 196 Q CB -0.649 28.084 28.738 -0.009 0.000 0.945 196 Q HN 0.885 nan 8.270 nan 0.000 0.461 197 N N -0.944 117.615 118.700 -0.235 0.000 2.412 197 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 197 N C 0.452 175.623 175.510 -0.565 0.000 1.101 197 N CA 0.578 53.381 53.050 -0.411 0.000 0.881 197 N CB 0.061 38.312 38.487 -0.395 0.000 0.969 197 N HN 0.416 nan 8.380 nan 0.000 0.459 198 H N -1.419 117.596 119.070 -0.090 0.000 3.266 198 H HA 0.244 4.800 4.556 -0.000 0.000 0.246 198 H C -0.367 175.096 175.328 0.224 0.000 0.998 198 H CA -0.393 55.627 56.048 -0.046 0.000 1.152 198 H CB 0.351 30.010 29.762 -0.172 0.000 1.466 198 H HN 0.070 nan 8.280 nan 0.000 0.481 199 F N 3.416 123.388 119.950 0.036 0.000 2.660 199 F HA 0.230 4.757 4.527 -0.000 0.000 0.342 199 F C 0.791 176.589 175.800 -0.004 0.000 1.195 199 F CA -0.745 57.272 58.000 0.028 0.000 1.300 199 F CB -0.889 38.132 39.000 0.035 0.000 1.616 199 F HN 0.004 nan 8.300 nan 0.000 0.592 200 T N -4.196 110.435 114.554 0.128 0.000 2.950 200 T HA 0.273 4.623 4.350 -0.000 0.000 0.288 200 T C 1.382 176.100 174.700 0.030 0.000 1.035 200 T CA -0.214 61.922 62.100 0.060 0.000 1.028 200 T CB 1.857 70.737 68.868 0.021 0.000 1.109 200 T HN 0.088 nan 8.240 nan 0.000 0.514 201 S N 0.742 116.453 115.700 0.018 0.000 2.380 201 S HA -0.176 4.294 4.470 -0.000 0.000 0.229 201 S C 2.063 176.663 174.600 -0.001 0.000 1.043 201 S CA 1.592 59.796 58.200 0.006 0.000 1.038 201 S CB -1.166 62.035 63.200 0.001 0.000 0.872 201 S HN 1.044 nan 8.310 nan 0.000 0.456 202 A N 0.189 123.009 122.820 -0.001 0.000 2.238 202 A HA 0.295 4.615 4.320 -0.000 0.000 0.208 202 A C 1.671 179.255 177.584 0.000 0.000 1.177 202 A CA 0.022 52.059 52.037 0.001 0.000 0.804 202 A CB -0.184 18.817 19.000 0.002 0.000 0.823 202 A HN 0.625 nan 8.150 nan 0.000 0.482 203 R N -1.147 119.349 120.500 -0.006 0.000 2.596 203 R HA 0.438 4.778 4.340 -0.000 0.000 0.369 203 R C -0.497 175.797 176.300 -0.010 0.000 1.042 203 R CA 0.026 56.118 56.100 -0.014 0.000 1.120 203 R CB 0.442 30.716 30.300 -0.044 0.000 1.353 203 R HN 0.392 nan 8.270 nan 0.000 0.564 204 M N 0.182 119.780 119.600 -0.003 0.000 2.644 204 M HA 0.666 5.146 4.480 -0.000 0.000 0.304 204 M C -1.194 175.111 176.300 0.009 0.000 1.215 204 M CA -0.989 54.310 55.300 -0.001 0.000 0.871 204 M CB 2.607 35.197 32.600 -0.017 0.000 1.740 204 M HN 0.001 nan 8.290 nan 0.000 0.464 205 A N 2.251 125.095 122.820 0.040 0.000 2.437 205 A HA 0.742 5.062 4.320 -0.000 0.000 0.293 205 A C -1.931 175.689 177.584 0.061 0.000 1.038 205 A CA -0.566 51.478 52.037 0.011 0.000 0.708 205 A CB 1.436 20.434 19.000 -0.003 0.000 1.251 205 A HN 0.733 nan 8.150 nan 0.000 0.409 206 L N 3.666 124.883 121.223 -0.010 0.000 2.277 206 L HA 0.737 5.077 4.340 -0.000 0.000 0.284 206 L C -1.412 175.458 176.870 0.001 0.000 1.028 206 L CA -0.261 54.589 54.840 0.018 0.000 0.835 206 L CB 0.493 42.538 42.059 -0.024 0.000 1.215 206 L HN 0.537 nan 8.230 nan 0.000 0.425 207 I N 4.364 124.983 120.570 0.082 0.000 2.412 207 I HA 0.781 4.951 4.170 -0.000 0.000 0.296 207 I C 0.602 176.759 176.117 0.067 0.000 0.987 207 I CA -0.284 61.043 61.300 0.045 0.000 1.180 207 I CB 1.892 39.914 38.000 0.037 0.000 1.340 207 I HN 0.666 nan 8.210 nan 0.000 0.455 208 G N 6.165 114.991 108.800 0.043 0.000 2.662 208 G HA2 0.743 4.703 3.960 -0.000 0.000 0.302 208 G HA3 0.743 4.703 3.960 -0.000 0.000 0.302 208 G C -1.449 173.492 174.900 0.068 0.000 1.389 208 G CA -0.523 44.609 45.100 0.052 0.000 0.998 208 G HN 0.418 nan 8.290 nan 0.000 0.502 209 L N 1.659 122.926 121.223 0.074 0.000 2.356 209 L HA 0.604 4.944 4.340 -0.000 0.000 0.277 209 L C 1.055 177.943 176.870 0.031 0.000 0.996 209 L CA -0.332 54.554 54.840 0.076 0.000 0.822 209 L CB 2.035 44.167 42.059 0.121 0.000 1.256 209 L HN 1.044 nan 8.230 nan 0.000 0.413 210 G N 2.786 111.580 108.800 -0.010 0.000 2.137 210 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.237 210 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.237 210 G C -0.275 174.611 174.900 -0.023 0.000 1.002 210 G CA 0.126 45.207 45.100 -0.031 0.000 0.702 210 G HN 0.497 nan 8.290 nan 0.000 0.515 211 V N -1.326 118.576 119.914 -0.019 0.000 3.040 211 V HA 0.913 5.033 4.120 -0.000 0.000 0.312 211 V C 0.591 176.682 176.094 -0.006 0.000 1.115 211 V CA -0.520 61.775 62.300 -0.008 0.000 0.998 211 V CB 1.670 33.496 31.823 0.005 0.000 1.042 211 V HN 1.207 nan 8.190 nan 0.000 0.433 212 S N -0.430 115.272 115.700 0.003 0.000 2.632 212 S HA 0.367 4.837 4.470 -0.000 0.000 0.271 212 S C 0.772 175.409 174.600 0.060 0.000 1.260 212 S CA 0.091 58.307 58.200 0.028 0.000 1.010 212 S CB 0.985 64.201 63.200 0.027 0.000 0.965 212 S HN 0.860 nan 8.310 nan 0.000 0.534 213 H N 2.449 121.508 119.070 -0.019 0.000 2.321 213 H HA 0.108 4.664 4.556 -0.000 0.000 0.300 213 H C -1.214 174.107 175.328 -0.013 0.000 1.087 213 H CA 2.098 58.136 56.048 -0.017 0.000 1.319 213 H CB -1.247 28.509 29.762 -0.010 0.000 1.379 213 H HN 0.532 nan 8.280 nan 0.000 0.501 214 P HA -0.154 nan 4.420 nan 0.000 0.216 214 P C 1.713 178.994 177.300 -0.032 0.000 1.150 214 P CA 1.058 64.160 63.100 0.003 0.000 0.837 214 P CB 0.085 31.804 31.700 0.032 0.000 0.786 215 V N -0.539 119.363 119.914 -0.020 0.000 2.270 215 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 215 V C 2.457 178.524 176.094 -0.045 0.000 1.043 215 V CA 1.560 63.849 62.300 -0.020 0.000 1.014 215 V CB -1.090 30.731 31.823 -0.004 0.000 0.645 215 V HN 0.073 nan 8.190 nan 0.000 0.447 216 L N -0.433 120.739 121.223 -0.085 0.000 2.046 216 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 216 L C 2.627 179.405 176.870 -0.155 0.000 1.077 216 L CA 1.891 56.661 54.840 -0.117 0.000 0.747 216 L CB -0.558 41.400 42.059 -0.168 0.000 0.896 216 L HN 0.334 nan 8.230 nan 0.000 0.432 217 K N -0.200 120.059 120.400 -0.235 0.000 2.032 217 K HA -0.292 4.028 4.320 -0.000 0.000 0.209 217 K C 2.149 178.684 176.600 -0.108 0.000 1.048 217 K CA 1.845 58.006 56.287 -0.210 0.000 0.927 217 K CB 0.004 32.372 32.500 -0.220 0.000 0.712 217 K HN 0.102 nan 8.250 nan 0.000 0.441 218 Q N 0.642 120.397 119.800 -0.075 0.000 2.061 218 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 218 Q C 1.832 177.812 176.000 -0.034 0.000 0.984 218 Q CA 1.787 57.559 55.803 -0.052 0.000 0.846 218 Q CB -0.293 28.427 28.738 -0.029 0.000 0.902 218 Q HN 0.156 nan 8.270 nan 0.000 0.421 219 V N 0.687 120.608 119.914 0.012 0.000 2.332 219 V HA -0.308 3.811 4.120 -0.000 0.000 0.248 219 V C 2.269 178.408 176.094 0.076 0.000 1.055 219 V CA 1.891 64.257 62.300 0.110 0.000 1.038 219 V CB -1.229 30.650 31.823 0.093 0.000 0.651 219 V HN 0.556 nan 8.190 nan 0.000 0.450 220 A N -0.437 122.379 122.820 -0.007 0.000 1.898 220 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 220 A C 2.149 179.708 177.584 -0.042 0.000 1.181 220 A CA 1.755 53.779 52.037 -0.021 0.000 0.620 220 A CB -0.422 18.540 19.000 -0.063 0.000 0.819 220 A HN 0.642 nan 8.150 nan 0.000 0.442 221 E N -0.943 119.213 120.200 -0.074 0.000 2.152 221 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 221 E C 2.162 178.671 176.600 -0.151 0.000 0.983 221 E CA 1.230 57.574 56.400 -0.093 0.000 0.818 221 E CB -0.085 29.563 29.700 -0.086 0.000 0.758 221 E HN 0.792 nan 8.360 nan 0.000 0.467 222 Q N -0.358 119.308 119.800 -0.225 0.000 2.089 222 Q HA -0.031 4.309 4.340 -0.000 0.000 0.195 222 Q C 1.146 176.766 176.000 -0.634 0.000 0.963 222 Q CA 1.188 56.678 55.803 -0.522 0.000 0.834 222 Q CB 0.231 28.530 28.738 -0.732 0.000 0.906 222 Q HN 0.214 nan 8.270 nan 0.000 0.452 223 F N -1.254 118.674 119.950 -0.037 0.000 2.724 223 F HA 0.256 4.783 4.527 -0.000 0.000 0.306 223 F C 0.683 176.465 175.800 -0.030 0.000 1.100 223 F CA -0.104 57.875 58.000 -0.034 0.000 1.255 223 F CB 0.828 39.805 39.000 -0.038 0.000 1.072 223 F HN -0.059 nan 8.300 nan 0.000 0.589 224 L N 0.144 121.424 121.223 0.094 0.000 3.017 224 L HA 0.238 4.578 4.340 -0.000 0.000 0.255 224 L C 0.083 176.964 176.870 0.018 0.000 1.247 224 L CA -0.107 54.764 54.840 0.053 0.000 1.038 224 L CB -0.288 41.791 42.059 0.033 0.000 1.380 224 L HN -0.048 nan 8.230 nan 0.000 0.548 225 N N 2.923 121.625 118.700 0.004 0.000 3.083 225 N HA 0.239 4.979 4.740 -0.000 0.000 0.260 225 N C -0.757 174.754 175.510 0.001 0.000 1.163 225 N CA -0.191 52.853 53.050 -0.009 0.000 1.060 225 N CB 0.232 38.700 38.487 -0.030 0.000 1.345 225 N HN 0.191 nan 8.380 nan 0.000 0.515 226 I N -0.887 119.690 120.570 0.012 0.000 2.533 226 I HA 0.645 4.815 4.170 -0.000 0.000 0.290 226 I C -0.840 175.283 176.117 0.011 0.000 1.056 226 I CA -0.774 60.535 61.300 0.015 0.000 1.057 226 I CB 1.855 39.873 38.000 0.030 0.000 1.240 226 I HN 0.087 nan 8.210 nan 0.000 0.423 227 R N 3.285 123.787 120.500 0.002 0.000 2.566 227 R HA 0.644 4.984 4.340 -0.000 0.000 0.271 227 R C -0.167 176.126 176.300 -0.011 0.000 1.071 227 R CA -0.191 55.906 56.100 -0.004 0.000 0.915 227 R CB 2.289 32.586 30.300 -0.006 0.000 1.228 227 R HN 1.107 nan 8.270 nan 0.000 0.449 228 G N 0.799 109.586 108.800 -0.021 0.000 4.782 228 G HA2 0.087 4.047 3.960 -0.000 0.000 0.221 228 G HA3 0.087 4.047 3.960 -0.000 0.000 0.221 228 G C 0.021 174.891 174.900 -0.050 0.000 0.706 228 G CA 0.168 45.251 45.100 -0.029 0.000 1.108 228 G HN 0.774 nan 8.290 nan 0.000 0.722 229 G N -0.135 108.628 108.800 -0.062 0.000 2.849 229 G HA2 0.699 4.659 3.960 -0.000 0.000 0.174 229 G HA3 0.699 4.659 3.960 -0.000 0.000 0.174 229 G C 0.048 174.885 174.900 -0.104 0.000 1.370 229 G CA -0.881 44.151 45.100 -0.112 0.000 1.040 229 G HN 0.363 nan 8.290 nan 0.000 0.582 230 L N -0.448 120.692 121.223 -0.138 0.000 2.387 230 L HA 0.625 4.965 4.340 -0.000 0.000 0.266 230 L C 1.433 178.267 176.870 -0.061 0.000 1.059 230 L CA -0.176 54.610 54.840 -0.089 0.000 0.801 230 L CB 1.832 43.835 42.059 -0.094 0.000 1.223 230 L HN 0.654 nan 8.230 nan 0.000 0.456 231 G N 0.138 108.921 108.800 -0.027 0.000 2.707 231 G HA2 0.218 4.178 3.960 -0.000 0.000 0.198 231 G HA3 0.218 4.178 3.960 -0.000 0.000 0.198 231 G C 0.703 175.609 174.900 0.010 0.000 1.065 231 G CA -0.194 44.898 45.100 -0.013 0.000 0.763 231 G HN 0.372 nan 8.290 nan 0.000 0.625 232 L N 0.509 121.749 121.223 0.029 0.000 2.238 232 L HA 0.339 4.679 4.340 -0.000 0.000 0.163 232 L C 1.604 178.533 176.870 0.098 0.000 0.795 232 L CA 1.010 55.885 54.840 0.058 0.000 1.402 232 L CB -0.509 41.588 42.059 0.063 0.000 1.595 232 L HN 0.064 nan 8.230 nan 0.000 0.431 233 S N -0.784 114.993 115.700 0.129 0.000 2.794 233 S HA 0.300 4.770 4.470 -0.000 0.000 0.244 233 S C 0.849 175.552 174.600 0.172 0.000 1.045 233 S CA -0.100 58.212 58.200 0.186 0.000 1.114 233 S CB -0.663 62.608 63.200 0.119 0.000 1.085 233 S HN 0.797 nan 8.310 nan 0.000 0.488 234 G N 1.189 110.099 108.800 0.184 0.000 2.941 234 G HA2 0.153 4.113 3.960 -0.000 0.000 0.223 234 G HA3 0.153 4.113 3.960 -0.000 0.000 0.223 234 G C 0.784 175.753 174.900 0.115 0.000 0.833 234 G CA 0.869 46.055 45.100 0.143 0.000 1.742 234 G HN 1.004 nan 8.290 nan 0.000 0.567 235 A N -0.550 122.317 122.820 0.078 0.000 2.261 235 A HA 0.597 4.917 4.320 -0.000 0.000 0.143 235 A C 0.755 178.359 177.584 0.033 0.000 1.427 235 A CA 1.002 53.063 52.037 0.039 0.000 2.118 235 A CB -0.018 18.978 19.000 -0.007 0.000 2.116 235 A HN 1.173 nan 8.150 nan 0.000 1.034 236 K N -0.229 120.185 120.400 0.023 0.000 6.074 236 K HA -0.001 4.319 4.320 -0.000 0.000 0.850 236 K C -0.205 176.411 176.600 0.026 0.000 2.043 236 K CA 0.343 56.650 56.287 0.033 0.000 1.609 236 K CB -1.253 31.280 32.500 0.054 0.000 2.376 236 K HN 1.939 nan 8.250 nan 0.000 0.262 237 A N 4.800 127.620 122.820 -0.001 0.000 2.491 237 A HA 0.221 4.541 4.320 -0.000 0.000 0.261 237 A C -0.238 177.456 177.584 0.182 0.000 1.101 237 A CA 0.190 52.222 52.037 -0.009 0.000 0.772 237 A CB 0.288 19.149 19.000 -0.231 0.000 1.043 237 A HN 0.444 nan 8.150 nan 0.000 0.501 238 K N 2.562 123.093 120.400 0.219 0.000 2.250 238 K HA 0.234 4.554 4.320 -0.000 0.000 0.280 238 K C -0.550 176.273 176.600 0.372 0.000 1.098 238 K CA -0.031 56.401 56.287 0.242 0.000 0.916 238 K CB 0.205 32.788 32.500 0.139 0.000 1.209 238 K HN 0.642 nan 8.250 nan 0.000 0.461 239 Y N 1.907 122.362 120.300 0.260 0.000 2.597 239 Y HA -0.059 4.491 4.550 -0.000 0.000 0.336 239 Y C 1.271 177.215 175.900 0.074 0.000 1.216 239 Y CA 1.018 59.154 58.100 0.059 0.000 1.463 239 Y CB 0.532 38.981 38.460 -0.018 0.000 1.303 239 Y HN 0.826 nan 8.280 nan 0.000 0.576 240 H N 2.900 121.489 119.070 -0.802 0.000 2.089 240 H HA 0.445 5.001 4.556 -0.000 0.000 0.206 240 H C 0.261 175.273 175.328 -0.528 0.000 0.872 240 H CA 0.576 56.367 56.048 -0.429 0.000 0.979 240 H CB 0.513 30.141 29.762 -0.224 0.000 1.266 240 H HN 0.969 nan 8.280 nan 0.000 0.389 241 G N -0.719 107.408 108.800 -1.122 0.000 2.629 241 G HA2 0.456 4.416 3.960 -0.000 0.000 0.686 241 G HA3 0.456 4.416 3.960 -0.000 0.000 0.686 241 G C 0.119 174.585 174.900 -0.724 0.000 1.232 241 G CA 0.025 44.644 45.100 -0.802 0.000 0.803 241 G HN 1.534 nan 8.290 nan 0.000 0.638 242 G N -0.268 108.291 108.800 -0.402 0.000 2.346 242 G HA2 0.684 4.644 3.960 -0.000 0.000 0.294 242 G HA3 0.684 4.644 3.960 -0.000 0.000 0.294 242 G C -0.783 174.015 174.900 -0.171 0.000 1.294 242 G CA 0.733 45.673 45.100 -0.267 0.000 0.962 242 G HN 2.189 nan 8.290 nan 0.000 0.508 243 E N -1.191 118.950 120.200 -0.098 0.000 2.340 243 E HA 0.738 5.088 4.350 -0.000 0.000 0.273 243 E C -1.346 175.225 176.600 -0.048 0.000 0.891 243 E CA -1.101 55.252 56.400 -0.078 0.000 0.757 243 E CB 2.704 32.376 29.700 -0.048 0.000 1.231 243 E HN 0.567 nan 8.360 nan 0.000 0.439 244 I N 1.629 122.160 120.570 -0.065 0.000 2.466 244 I HA 0.411 4.581 4.170 -0.000 0.000 0.289 244 I C -0.539 175.528 176.117 -0.084 0.000 1.026 244 I CA -0.888 60.382 61.300 -0.050 0.000 1.078 244 I CB 1.933 39.913 38.000 -0.034 0.000 1.249 244 I HN 0.374 nan 8.210 nan 0.000 0.429 245 R N 4.731 125.183 120.500 -0.079 0.000 2.409 245 R HA 0.359 4.699 4.340 -0.000 0.000 0.313 245 R C -0.780 175.453 176.300 -0.112 0.000 0.953 245 R CA -0.650 55.380 56.100 -0.117 0.000 0.849 245 R CB 2.266 32.484 30.300 -0.136 0.000 1.171 245 R HN 0.530 nan 8.270 nan 0.000 0.458 246 E N 3.000 123.114 120.200 -0.143 0.000 2.073 246 E HA 0.070 4.420 4.350 -0.000 0.000 0.269 246 E C -0.686 175.843 176.600 -0.119 0.000 0.917 246 E CA -0.580 55.729 56.400 -0.152 0.000 0.757 246 E CB 0.981 30.524 29.700 -0.261 0.000 1.111 246 E HN 0.273 nan 8.360 nan 0.000 0.410 247 Q N 2.586 122.334 119.800 -0.086 0.000 2.304 247 Q HA 0.105 4.445 4.340 -0.000 0.000 0.260 247 Q C 0.127 176.097 176.000 -0.050 0.000 0.965 247 Q CA 0.464 56.230 55.803 -0.062 0.000 0.898 247 Q CB 0.838 29.549 28.738 -0.045 0.000 1.196 247 Q HN 0.862 nan 8.270 nan 0.000 0.402 248 N N 0.259 118.937 118.700 -0.037 0.000 1.899 248 N HA 0.020 4.760 4.740 -0.000 0.000 0.223 248 N C 0.516 176.019 175.510 -0.010 0.000 1.411 248 N CA 0.112 53.147 53.050 -0.025 0.000 0.737 248 N CB 0.334 38.801 38.487 -0.034 0.000 1.100 248 N HN 0.623 nan 8.380 nan 0.000 0.527 249 G N 1.415 110.212 108.800 -0.005 0.000 2.393 249 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.299 249 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.299 249 G C -0.578 174.329 174.900 0.011 0.000 0.990 249 G CA 0.721 45.825 45.100 0.006 0.000 1.118 249 G HN 0.531 nan 8.290 nan 0.000 0.513 250 D N -0.540 119.868 120.400 0.015 0.000 2.414 250 D HA 0.431 5.071 4.640 -0.000 0.000 0.251 250 D C 1.983 178.307 176.300 0.041 0.000 1.252 250 D CA 0.258 54.273 54.000 0.026 0.000 0.999 250 D CB 0.782 41.602 40.800 0.033 0.000 1.093 250 D HN 0.290 nan 8.370 nan 0.000 0.515 251 S N -0.881 114.851 115.700 0.054 0.000 2.425 251 S HA 0.084 4.554 4.470 -0.000 0.000 0.225 251 S C 1.002 175.638 174.600 0.061 0.000 1.024 251 S CA 0.182 58.412 58.200 0.051 0.000 0.951 251 S CB 0.102 63.330 63.200 0.047 0.000 0.796 251 S HN 0.285 nan 8.310 nan 0.000 0.498 252 L N 1.251 122.530 121.223 0.094 0.000 2.322 252 L HA 0.611 4.951 4.340 -0.000 0.000 0.269 252 L C -0.644 176.300 176.870 0.123 0.000 1.012 252 L CA -1.074 53.824 54.840 0.095 0.000 0.815 252 L CB 1.826 43.950 42.059 0.109 0.000 1.295 252 L HN -0.068 nan 8.230 nan 0.000 0.438 253 V N 0.878 120.832 119.914 0.066 0.000 2.439 253 V HA 0.271 4.391 4.120 -0.000 0.000 0.282 253 V C -0.237 175.886 176.094 0.047 0.000 1.039 253 V CA -0.393 61.942 62.300 0.058 0.000 0.913 253 V CB 1.027 32.850 31.823 -0.000 0.000 0.983 253 V HN 0.536 nan 8.190 nan 0.000 0.460 254 H N 3.460 122.501 119.070 -0.048 0.000 2.467 254 H HA 0.724 5.280 4.556 -0.000 0.000 0.326 254 H C -0.124 175.044 175.328 -0.267 0.000 1.094 254 H CA -0.241 55.754 56.048 -0.089 0.000 1.253 254 H CB 1.984 31.760 29.762 0.023 0.000 1.439 254 H HN 0.755 nan 8.280 nan 0.000 0.479 255 A N 2.280 124.869 122.820 -0.386 0.000 2.486 255 A HA 0.722 5.042 4.320 -0.000 0.000 0.300 255 A C -1.276 175.890 177.584 -0.697 0.000 1.048 255 A CA -0.493 51.283 52.037 -0.434 0.000 0.696 255 A CB 1.651 20.504 19.000 -0.245 0.000 1.278 255 A HN 0.716 nan 8.150 nan 0.000 0.405 256 A N 1.662 124.122 122.820 -0.599 0.000 2.374 256 A HA 0.741 5.061 4.320 -0.000 0.000 0.305 256 A C -1.227 176.050 177.584 -0.513 0.000 1.053 256 A CA -0.342 51.339 52.037 -0.594 0.000 0.726 256 A CB 1.062 19.717 19.000 -0.575 0.000 1.229 256 A HN 1.078 nan 8.150 nan 0.000 0.431 257 L N 3.385 124.209 121.223 -0.665 0.000 2.356 257 L HA 0.787 5.127 4.340 -0.000 0.000 0.277 257 L C -1.366 175.271 176.870 -0.389 0.000 0.996 257 L CA -0.657 53.832 54.840 -0.586 0.000 0.822 257 L CB 1.738 43.289 42.059 -0.847 0.000 1.256 257 L HN 0.564 nan 8.230 nan 0.000 0.413 258 V N 3.113 122.930 119.914 -0.161 0.000 3.114 258 V HA 0.879 4.999 4.120 -0.000 0.000 0.308 258 V C -0.715 175.449 176.094 0.117 0.000 1.168 258 V CA -0.430 61.905 62.300 0.059 0.000 1.015 258 V CB 2.294 34.089 31.823 -0.047 0.000 1.050 258 V HN 0.882 nan 8.190 nan 0.000 0.433 259 A N 1.827 124.794 122.820 0.245 0.000 2.527 259 A HA 0.781 5.101 4.320 -0.000 0.000 0.293 259 A C -0.618 176.915 177.584 -0.085 0.000 1.117 259 A CA -0.637 51.434 52.037 0.056 0.000 0.723 259 A CB 1.488 20.494 19.000 0.010 0.000 1.313 259 A HN 0.862 nan 8.150 nan 0.000 0.411 260 E N 0.459 120.339 120.200 -0.532 0.000 2.415 260 E HA 0.331 4.681 4.350 -0.000 0.000 0.263 260 E C 0.629 177.064 176.600 -0.274 0.000 0.995 260 E CA 0.628 56.667 56.400 -0.601 0.000 0.915 260 E CB 0.398 29.514 29.700 -0.973 0.000 0.951 260 E HN 0.757 nan 8.360 nan 0.000 0.449 261 S N 3.096 118.619 115.700 -0.296 0.000 4.094 261 S HA 0.771 5.241 4.470 -0.000 0.000 0.236 261 S C -0.311 174.082 174.600 -0.345 0.000 1.056 261 S CA -0.455 57.389 58.200 -0.593 0.000 1.564 261 S CB 0.448 62.852 63.200 -1.326 0.000 1.097 261 S HN 0.586 nan 8.310 nan 0.000 0.734 262 A N 0.354 122.938 122.820 -0.393 0.000 2.312 262 A HA 0.847 5.167 4.320 -0.000 0.000 0.328 262 A C 0.260 177.832 177.584 -0.020 0.000 1.158 262 A CA -0.436 51.567 52.037 -0.056 0.000 0.821 262 A CB 0.373 19.442 19.000 0.115 0.000 1.170 262 A HN 1.411 nan 8.150 nan 0.000 0.490 263 A N 1.732 124.571 122.820 0.031 0.000 2.462 263 A HA 0.491 4.811 4.320 -0.000 0.000 0.243 263 A C 0.554 178.157 177.584 0.032 0.000 1.076 263 A CA -0.332 51.736 52.037 0.051 0.000 0.773 263 A CB -0.562 18.478 19.000 0.066 0.000 1.010 263 A HN 1.168 nan 8.150 nan 0.000 0.493 264 I N 0.032 120.617 120.570 0.025 0.000 2.880 264 I HA 0.347 4.517 4.170 -0.000 0.000 0.296 264 I C 1.342 177.467 176.117 0.013 0.000 1.220 264 I CA 0.704 62.008 61.300 0.006 0.000 1.435 264 I CB -0.326 37.678 38.000 0.007 0.000 1.339 264 I HN 1.165 nan 8.210 nan 0.000 0.583 265 G N 3.621 112.419 108.800 -0.003 0.000 2.253 265 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.251 265 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.251 265 G C 0.288 175.187 174.900 -0.002 0.000 0.998 265 G CA 0.247 45.343 45.100 -0.008 0.000 0.621 265 G HN 1.163 nan 8.290 nan 0.000 0.524 266 S N 0.398 116.106 115.700 0.014 0.000 2.592 266 S HA 0.728 5.198 4.470 -0.000 0.000 0.271 266 S C 1.631 176.240 174.600 0.014 0.000 1.326 266 S CA 0.512 58.723 58.200 0.019 0.000 1.024 266 S CB 1.834 65.057 63.200 0.038 0.000 0.921 266 S HN 1.681 nan 8.310 nan 0.000 0.527 267 A N 0.823 123.646 122.820 0.006 0.000 1.972 267 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 267 A C 2.065 179.654 177.584 0.008 0.000 1.169 267 A CA 1.598 53.632 52.037 -0.006 0.000 0.635 267 A CB -0.969 18.022 19.000 -0.014 0.000 0.810 267 A HN 1.011 nan 8.150 nan 0.000 0.446 268 E N -0.005 120.217 120.200 0.037 0.000 2.150 268 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 268 E C 2.078 178.773 176.600 0.159 0.000 0.985 268 E CA 0.863 57.306 56.400 0.072 0.000 0.814 268 E CB -0.246 29.523 29.700 0.114 0.000 0.752 268 E HN 0.552 nan 8.360 nan 0.000 0.466 269 A N 1.355 124.256 122.820 0.136 0.000 1.908 269 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 269 A C 1.783 179.436 177.584 0.116 0.000 1.181 269 A CA 1.962 54.089 52.037 0.150 0.000 0.627 269 A CB -0.880 18.156 19.000 0.059 0.000 0.818 269 A HN 0.407 nan 8.150 nan 0.000 0.445 270 N N 0.460 119.183 118.700 0.038 0.000 2.223 270 N HA -0.036 4.704 4.740 -0.000 0.000 0.185 270 N C 1.769 177.268 175.510 -0.018 0.000 1.016 270 N CA 1.280 54.328 53.050 -0.003 0.000 0.863 270 N CB -0.300 38.162 38.487 -0.040 0.000 0.983 270 N HN 0.511 nan 8.380 nan 0.000 0.429 271 A N 0.419 123.207 122.820 -0.053 0.000 1.930 271 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 271 A C 1.735 179.164 177.584 -0.257 0.000 1.175 271 A CA 0.988 52.921 52.037 -0.173 0.000 0.627 271 A CB -0.777 18.066 19.000 -0.262 0.000 0.815 271 A HN 0.199 nan 8.150 nan 0.000 0.443 272 F N 0.697 120.565 119.950 -0.135 0.000 2.134 272 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 272 F C 2.842 178.605 175.800 -0.060 0.000 1.097 272 F CA 1.696 59.562 58.000 -0.225 0.000 1.264 272 F CB -0.484 38.406 39.000 -0.184 0.000 1.001 272 F HN 0.139 nan 8.300 nan 0.000 0.479 273 S N -0.370 115.435 115.700 0.176 0.000 2.382 273 S HA -0.141 4.329 4.470 -0.000 0.000 0.228 273 S C 2.236 176.967 174.600 0.219 0.000 1.027 273 S CA 1.287 59.605 58.200 0.196 0.000 0.991 273 S CB -0.438 62.829 63.200 0.111 0.000 0.823 273 S HN 0.137 nan 8.310 nan 0.000 0.469 274 V N 1.521 121.489 119.914 0.089 0.000 2.591 274 V HA -0.030 4.090 4.120 -0.000 0.000 0.249 274 V C 2.126 178.273 176.094 0.089 0.000 1.053 274 V CA 1.022 63.365 62.300 0.072 0.000 1.068 274 V CB -0.542 31.273 31.823 -0.015 0.000 0.689 274 V HN 0.373 nan 8.190 nan 0.000 0.462 275 L N 0.387 121.611 121.223 0.003 0.000 2.083 275 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 275 L C 2.422 179.407 176.870 0.191 0.000 1.083 275 L CA 2.122 56.950 54.840 -0.020 0.000 0.752 275 L CB -0.873 40.996 42.059 -0.316 0.000 0.899 275 L HN 0.382 nan 8.230 nan 0.000 0.433 276 Q N -1.153 118.848 119.800 0.335 0.000 2.096 276 Q HA -0.274 4.066 4.340 -0.000 0.000 0.204 276 Q C 1.915 178.003 176.000 0.147 0.000 0.982 276 Q CA 2.193 58.222 55.803 0.376 0.000 0.850 276 Q CB -0.145 28.815 28.738 0.370 0.000 0.901 276 Q HN 0.697 nan 8.270 nan 0.000 0.422 277 H N -1.207 117.945 119.070 0.136 0.000 2.547 277 H HA 0.027 4.583 4.556 -0.000 0.000 0.272 277 H C 1.796 177.172 175.328 0.080 0.000 0.989 277 H CA 0.740 56.852 56.048 0.106 0.000 1.214 277 H CB 0.338 30.155 29.762 0.091 0.000 1.389 277 H HN 0.048 nan 8.280 nan 0.000 0.577 278 V N 0.282 120.296 119.914 0.166 0.000 2.283 278 V HA -0.185 3.935 4.120 -0.000 0.000 0.243 278 V C 2.256 178.406 176.094 0.093 0.000 1.039 278 V CA 1.436 63.797 62.300 0.102 0.000 1.016 278 V CB -0.407 31.457 31.823 0.068 0.000 0.650 278 V HN 0.353 nan 8.190 nan 0.000 0.449 279 L N -0.173 121.117 121.223 0.112 0.000 2.056 279 L HA 0.218 4.558 4.340 -0.000 0.000 0.207 279 L C 1.079 178.001 176.870 0.086 0.000 1.078 279 L CA 1.243 56.142 54.840 0.099 0.000 0.749 279 L CB -0.568 41.572 42.059 0.135 0.000 0.901 279 L HN 0.583 nan 8.230 nan 0.000 0.433 280 G N -1.095 107.746 108.800 0.069 0.000 2.764 280 G HA2 0.277 4.237 3.960 -0.000 0.000 0.678 280 G HA3 0.277 4.237 3.960 -0.000 0.000 0.678 280 G C -0.742 174.160 174.900 0.003 0.000 1.341 280 G CA -0.492 44.637 45.100 0.049 0.000 0.836 280 G HN 0.323 nan 8.290 nan 0.000 0.632 281 A N 0.588 123.379 122.820 -0.048 0.000 3.455 281 A HA 0.989 5.309 4.320 -0.000 0.000 0.225 281 A C 0.803 178.356 177.584 -0.050 0.000 1.052 281 A CA 1.181 53.164 52.037 -0.090 0.000 1.005 281 A CB 0.193 19.026 19.000 -0.277 0.000 1.318 281 A HN 2.968 nan 8.150 nan 0.000 0.639 282 G N 0.816 109.619 108.800 0.006 0.000 2.697 282 G HA2 0.312 4.272 3.960 -0.000 0.000 0.684 282 G HA3 0.312 4.272 3.960 -0.000 0.000 0.684 282 G C -3.357 171.548 174.900 0.009 0.000 1.274 282 G CA -0.582 44.509 45.100 -0.015 0.000 0.806 282 G HN 0.413 nan 8.290 nan 0.000 0.644 283 P HA 0.593 nan 4.420 nan 0.000 0.281 283 P C 0.082 177.367 177.300 -0.025 0.000 1.249 283 P CA -0.398 62.709 63.100 0.011 0.000 0.810 283 P CB 0.900 32.577 31.700 -0.039 0.000 1.008 284 H N -1.150 117.899 119.070 -0.035 0.000 2.788 284 H HA 0.268 4.824 4.556 -0.000 0.000 0.262 284 H C -0.021 175.294 175.328 -0.022 0.000 0.968 284 H CA 0.370 56.409 56.048 -0.015 0.000 1.218 284 H CB 0.557 30.316 29.762 -0.005 0.000 1.443 284 H HN 0.017 nan 8.280 nan 0.000 0.478 285 V N 1.326 121.287 119.914 0.078 0.000 2.540 285 V HA 0.156 4.276 4.120 -0.000 0.000 0.302 285 V C -0.058 176.033 176.094 -0.005 0.000 1.035 285 V CA -1.429 60.888 62.300 0.028 0.000 0.873 285 V CB 2.187 34.020 31.823 0.016 0.000 0.992 285 V HN 0.116 nan 8.190 nan 0.000 0.428 286 K N 4.052 124.448 120.400 -0.008 0.000 2.430 286 K HA 0.129 4.449 4.320 -0.000 0.000 0.280 286 K C 0.579 177.166 176.600 -0.021 0.000 1.063 286 K CA 0.351 56.629 56.287 -0.016 0.000 1.071 286 K CB -0.167 32.327 32.500 -0.010 0.000 0.899 286 K HN 0.633 nan 8.250 nan 0.000 0.473 287 R N 1.104 121.585 120.500 -0.032 0.000 3.651 287 R HA -0.165 4.175 4.340 -0.000 0.000 0.292 287 R C 0.329 176.601 176.300 -0.047 0.000 1.161 287 R CA 0.435 56.513 56.100 -0.037 0.000 0.787 287 R CB -2.078 28.208 30.300 -0.023 0.000 1.249 287 R HN 0.826 nan 8.270 nan 0.000 0.476 288 G N -0.993 107.768 108.800 -0.064 0.000 2.528 288 G HA2 0.282 4.242 3.960 -0.000 0.000 0.289 288 G HA3 0.282 4.242 3.960 -0.000 0.000 0.289 288 G C 0.625 175.450 174.900 -0.126 0.000 1.192 288 G CA 0.065 45.121 45.100 -0.073 0.000 0.921 288 G HN 0.101 nan 8.290 nan 0.000 0.512 289 S N -0.482 115.154 115.700 -0.106 0.000 2.489 289 S HA -0.061 4.409 4.470 -0.000 0.000 0.228 289 S C 1.088 175.551 174.600 -0.227 0.000 0.995 289 S CA 0.614 58.743 58.200 -0.118 0.000 0.934 289 S CB -0.788 62.392 63.200 -0.035 0.000 0.771 289 S HN 0.732 nan 8.310 nan 0.000 0.522 290 N N 0.028 118.595 118.700 -0.222 0.000 2.726 290 N HA -0.185 4.555 4.740 -0.000 0.000 0.253 290 N C 0.596 176.042 175.510 -0.108 0.000 1.059 290 N CA 0.208 53.118 53.050 -0.232 0.000 0.701 290 N CB -1.124 37.052 38.487 -0.518 0.000 0.899 290 N HN 0.435 nan 8.380 nan 0.000 0.548 291 A N 0.026 122.809 122.820 -0.061 0.000 1.908 291 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 291 A C 2.158 179.737 177.584 -0.008 0.000 1.181 291 A CA 2.138 54.164 52.037 -0.017 0.000 0.627 291 A CB -0.206 18.783 19.000 -0.018 0.000 0.818 291 A HN 0.515 nan 8.150 nan 0.000 0.445 292 T N -1.110 113.424 114.554 -0.033 0.000 3.169 292 T HA 0.156 4.506 4.350 -0.000 0.000 0.250 292 T C 0.587 175.287 174.700 -0.001 0.000 1.111 292 T CA 0.736 62.821 62.100 -0.025 0.000 1.010 292 T CB -0.600 68.231 68.868 -0.061 0.000 0.984 292 T HN 0.293 nan 8.240 nan 0.000 0.537 293 S N 0.850 116.562 115.700 0.018 0.000 2.399 293 S HA 0.316 4.786 4.470 -0.000 0.000 0.301 293 S C 1.620 176.278 174.600 0.097 0.000 1.093 293 S CA -0.109 58.130 58.200 0.065 0.000 1.077 293 S CB 0.663 63.914 63.200 0.086 0.000 0.980 293 S HN 0.539 nan 8.310 nan 0.000 0.494 294 S N 5.649 121.394 115.700 0.075 0.000 2.423 294 S HA -0.043 4.427 4.470 -0.000 0.000 0.231 294 S C 1.722 176.361 174.600 0.065 0.000 1.014 294 S CA 0.523 58.761 58.200 0.063 0.000 0.965 294 S CB -0.465 62.761 63.200 0.043 0.000 0.785 294 S HN 0.728 nan 8.310 nan 0.000 0.495 295 L N -0.700 120.569 121.223 0.076 0.000 2.005 295 L HA -0.002 4.338 4.340 -0.000 0.000 0.207 295 L C 2.583 179.505 176.870 0.087 0.000 1.072 295 L CA 1.825 56.687 54.840 0.037 0.000 0.744 295 L CB -0.554 41.522 42.059 0.029 0.000 0.895 295 L HN 0.325 nan 8.230 nan 0.000 0.433 296 Y N 0.537 120.880 120.300 0.071 0.000 2.049 296 Y HA -0.402 4.148 4.550 -0.000 0.000 0.277 296 Y C 2.824 178.818 175.900 0.156 0.000 1.143 296 Y CA 2.066 60.270 58.100 0.172 0.000 1.115 296 Y CB -0.139 38.402 38.460 0.134 0.000 0.975 296 Y HN 0.138 nan 8.280 nan 0.000 0.487 297 Q N -0.034 119.981 119.800 0.358 0.000 2.248 297 Q HA -0.216 4.124 4.340 -0.000 0.000 0.208 297 Q C 2.055 178.106 176.000 0.085 0.000 0.984 297 Q CA 1.688 57.622 55.803 0.218 0.000 0.875 297 Q CB -0.445 28.381 28.738 0.146 0.000 0.910 297 Q HN 0.579 nan 8.270 nan 0.000 0.433 298 A N -1.486 121.349 122.820 0.026 0.000 2.021 298 A HA 0.000 4.320 4.320 -0.000 0.000 0.216 298 A C 2.087 179.587 177.584 -0.140 0.000 1.163 298 A CA 0.917 52.926 52.037 -0.048 0.000 0.676 298 A CB -0.115 18.852 19.000 -0.055 0.000 0.818 298 A HN 0.236 nan 8.150 nan 0.000 0.453 299 V N -0.232 119.548 119.914 -0.225 0.000 2.488 299 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 299 V C 2.991 178.758 176.094 -0.546 0.000 1.046 299 V CA 1.512 63.522 62.300 -0.482 0.000 1.053 299 V CB -0.857 30.492 31.823 -0.790 0.000 0.679 299 V HN 0.564 nan 8.190 nan 0.000 0.458 300 A N 0.050 122.716 122.820 -0.256 0.000 1.978 300 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 300 A C 2.168 179.707 177.584 -0.074 0.000 1.170 300 A CA 2.365 54.399 52.037 -0.005 0.000 0.636 300 A CB -0.477 18.695 19.000 0.286 0.000 0.810 300 A HN 0.487 nan 8.150 nan 0.000 0.448 301 K N -0.587 119.765 120.400 -0.078 0.000 1.987 301 K HA -0.132 4.188 4.320 -0.000 0.000 0.216 301 K C 1.698 178.227 176.600 -0.118 0.000 1.051 301 K CA 2.037 58.293 56.287 -0.051 0.000 0.942 301 K CB -0.714 31.758 32.500 -0.047 0.000 0.722 301 K HN 0.363 nan 8.250 nan 0.000 0.444 302 G N -1.195 107.470 108.800 -0.225 0.000 3.088 302 G HA2 0.215 4.175 3.960 -0.000 0.000 0.217 302 G HA3 0.215 4.175 3.960 -0.000 0.000 0.217 302 G C -0.708 173.864 174.900 -0.547 0.000 1.159 302 G CA -0.208 44.726 45.100 -0.276 0.000 0.760 302 G HN 0.119 nan 8.290 nan 0.000 0.550 303 V N 2.024 121.524 119.914 -0.690 0.000 2.540 303 V HA 0.413 4.533 4.120 -0.000 0.000 0.302 303 V C -1.040 174.663 176.094 -0.651 0.000 1.035 303 V CA -1.039 60.849 62.300 -0.686 0.000 0.873 303 V CB 1.635 33.093 31.823 -0.610 0.000 0.992 303 V HN 0.326 nan 8.190 nan 0.000 0.428 304 H N 4.817 123.884 119.070 -0.006 0.000 2.762 304 H HA 0.686 5.242 4.556 -0.000 0.000 0.310 304 H C 0.021 175.399 175.328 0.084 0.000 1.004 304 H CA -0.250 55.834 56.048 0.060 0.000 1.267 304 H CB 1.722 31.503 29.762 0.031 0.000 1.437 304 H HN 0.784 nan 8.280 nan 0.000 0.498 305 Q N 0.573 120.518 119.800 0.242 0.000 0.996 305 Q HA -0.142 4.198 4.340 -0.000 0.000 0.256 305 Q C -2.576 173.553 176.000 0.214 0.000 1.058 305 Q CA 0.023 55.951 55.803 0.208 0.000 0.781 305 Q CB -1.596 27.220 28.738 0.131 0.000 3.914 305 Q HN 0.565 nan 8.270 nan 0.000 0.366 306 P HA 0.203 nan 4.420 nan 0.000 0.258 306 P C -0.892 176.506 177.300 0.165 0.000 1.172 306 P CA 1.106 64.251 63.100 0.076 0.000 0.762 306 P CB -0.555 31.176 31.700 0.052 0.000 0.764 307 F N 0.179 120.105 119.950 -0.040 0.000 2.725 307 F HA 0.602 5.129 4.527 -0.000 0.000 0.311 307 F C -1.994 173.755 175.800 -0.085 0.000 1.121 307 F CA -1.094 56.851 58.000 -0.092 0.000 0.978 307 F CB 1.291 40.194 39.000 -0.160 0.000 1.274 307 F HN 0.093 nan 8.300 nan 0.000 0.440 308 D N 1.749 122.189 120.400 0.067 0.000 2.490 308 D HA 0.829 5.469 4.640 -0.000 0.000 0.232 308 D C -1.508 174.918 176.300 0.210 0.000 1.053 308 D CA -0.450 53.589 54.000 0.066 0.000 0.914 308 D CB 2.775 43.621 40.800 0.077 0.000 1.431 308 D HN 0.754 nan 8.370 nan 0.000 0.483 309 V N 0.142 120.192 119.914 0.227 0.000 2.969 309 V HA 0.821 4.941 4.120 -0.000 0.000 0.304 309 V C -0.680 175.559 176.094 0.240 0.000 1.192 309 V CA -0.920 61.513 62.300 0.222 0.000 0.962 309 V CB 1.222 33.125 31.823 0.133 0.000 1.045 309 V HN 0.704 nan 8.190 nan 0.000 0.428 310 S N 2.017 117.858 115.700 0.235 0.000 2.547 310 S HA 0.880 5.350 4.470 -0.000 0.000 0.270 310 S C -0.375 174.335 174.600 0.183 0.000 1.150 310 S CA -0.138 58.171 58.200 0.182 0.000 0.850 310 S CB 1.781 65.062 63.200 0.135 0.000 1.118 310 S HN 2.248 nan 8.310 nan 0.000 0.461 311 A N 1.781 124.656 122.820 0.092 0.000 2.425 311 A HA 0.639 4.959 4.320 -0.000 0.000 0.242 311 A C -0.567 177.025 177.584 0.014 0.000 1.077 311 A CA -0.210 51.823 52.037 -0.007 0.000 0.781 311 A CB -0.211 18.779 19.000 -0.018 0.000 1.020 311 A HN 1.328 nan 8.150 nan 0.000 0.494 312 F N 1.845 121.618 119.950 -0.295 0.000 2.540 312 F HA 0.573 5.099 4.527 -0.000 0.000 0.317 312 F C -0.367 175.282 175.800 -0.252 0.000 1.104 312 F CA -0.678 57.215 58.000 -0.179 0.000 0.913 312 F CB 1.610 40.552 39.000 -0.096 0.000 1.170 312 F HN 0.646 nan 8.300 nan 0.000 0.450 313 N N 4.337 122.673 118.700 -0.606 0.000 2.478 313 N HA 0.648 5.388 4.740 -0.000 0.000 0.291 313 N C -2.184 173.057 175.510 -0.448 0.000 1.090 313 N CA -0.331 52.566 53.050 -0.254 0.000 0.911 313 N CB 1.806 40.321 38.487 0.046 0.000 1.546 313 N HN 0.837 nan 8.380 nan 0.000 0.500 314 A N 2.140 124.771 122.820 -0.315 0.000 2.385 314 A HA 0.553 4.873 4.320 -0.000 0.000 0.290 314 A C -0.822 176.515 177.584 -0.411 0.000 1.094 314 A CA -0.581 51.224 52.037 -0.387 0.000 0.729 314 A CB 0.895 19.776 19.000 -0.198 0.000 1.194 314 A HN 0.544 nan 8.150 nan 0.000 0.442 315 S N 1.815 117.214 115.700 -0.503 0.000 2.482 315 S HA 0.890 5.360 4.470 -0.000 0.000 0.303 315 S C -0.786 173.510 174.600 -0.508 0.000 1.091 315 S CA -0.497 57.475 58.200 -0.380 0.000 1.057 315 S CB 0.870 63.977 63.200 -0.155 0.000 1.031 315 S HN 0.570 nan 8.310 nan 0.000 0.485 316 Y N 0.254 120.586 120.300 0.053 0.000 2.753 316 Y HA 0.459 5.008 4.550 -0.000 0.000 0.324 316 Y C 2.149 178.068 175.900 0.033 0.000 1.147 316 Y CA -0.646 57.478 58.100 0.040 0.000 1.173 316 Y CB 0.922 39.401 38.460 0.032 0.000 1.361 316 Y HN 0.774 nan 8.280 nan 0.000 0.545 317 S N 0.030 115.861 115.700 0.219 0.000 2.365 317 S HA -0.231 4.239 4.470 -0.000 0.000 0.225 317 S C 0.638 175.306 174.600 0.112 0.000 1.039 317 S CA 2.134 60.413 58.200 0.132 0.000 1.033 317 S CB -0.479 62.789 63.200 0.114 0.000 0.887 317 S HN 0.817 nan 8.310 nan 0.000 0.447 318 D N -0.637 119.834 120.400 0.118 0.000 2.563 318 D HA 0.534 5.174 4.640 -0.000 0.000 0.237 318 D C 0.142 176.523 176.300 0.136 0.000 1.282 318 D CA -0.217 53.844 54.000 0.102 0.000 0.816 318 D CB 0.321 41.166 40.800 0.076 0.000 1.066 318 D HN 0.327 nan 8.370 nan 0.000 0.501 319 S N -1.750 114.061 115.700 0.186 0.000 2.694 319 S HA 0.769 5.239 4.470 -0.000 0.000 0.273 319 S C -1.534 173.220 174.600 0.257 0.000 1.180 319 S CA -0.243 58.100 58.200 0.238 0.000 0.864 319 S CB 1.202 64.626 63.200 0.374 0.000 1.198 319 S HN 0.531 nan 8.310 nan 0.000 0.499 320 G N 0.662 109.610 108.800 0.248 0.000 2.702 320 G HA2 0.557 4.517 3.960 -0.000 0.000 0.296 320 G HA3 0.557 4.517 3.960 -0.000 0.000 0.296 320 G C -2.353 172.628 174.900 0.136 0.000 1.463 320 G CA -0.599 44.591 45.100 0.150 0.000 0.890 320 G HN 0.660 nan 8.290 nan 0.000 0.534 321 L N 1.066 122.397 121.223 0.180 0.000 2.341 321 L HA 0.735 5.075 4.340 -0.000 0.000 0.278 321 L C -1.129 175.866 176.870 0.208 0.000 1.005 321 L CA -0.860 54.099 54.840 0.198 0.000 0.818 321 L CB 2.104 44.354 42.059 0.319 0.000 1.259 321 L HN 0.569 nan 8.230 nan 0.000 0.418 322 F N 2.019 121.998 119.950 0.049 0.000 2.578 322 F HA 0.837 5.364 4.527 -0.000 0.000 0.311 322 F C 0.049 175.948 175.800 0.165 0.000 1.094 322 F CA 0.054 58.111 58.000 0.094 0.000 0.923 322 F CB 2.119 41.096 39.000 -0.040 0.000 1.230 322 F HN 0.511 nan 8.300 nan 0.000 0.450 323 G N 3.482 111.819 108.800 -0.772 0.000 2.623 323 G HA2 0.380 4.340 3.960 -0.000 0.000 0.085 323 G HA3 0.380 4.340 3.960 -0.000 0.000 0.085 323 G C -1.659 172.938 174.900 -0.504 0.000 1.116 323 G CA 0.033 44.738 45.100 -0.659 0.000 1.200 323 G HN 1.049 nan 8.290 nan 0.000 0.556 324 F N -1.663 118.147 119.950 -0.233 0.000 2.662 324 F HA 0.859 5.386 4.527 -0.000 0.000 0.312 324 F C -1.641 174.152 175.800 -0.011 0.000 1.113 324 F CA -1.870 56.070 58.000 -0.100 0.000 0.951 324 F CB 1.789 40.740 39.000 -0.083 0.000 1.344 324 F HN 0.580 nan 8.300 nan 0.000 0.462 325 Y N 1.061 121.471 120.300 0.182 0.000 2.391 325 Y HA 0.631 5.181 4.550 -0.000 0.000 0.341 325 Y C -0.672 175.324 175.900 0.160 0.000 0.965 325 Y CA -0.460 57.686 58.100 0.078 0.000 1.067 325 Y CB 2.038 40.536 38.460 0.065 0.000 1.199 325 Y HN 0.947 nan 8.280 nan 0.000 0.450 326 T N 4.412 119.012 114.554 0.077 0.000 2.876 326 T HA 0.709 5.059 4.350 -0.000 0.000 0.289 326 T C -0.954 173.736 174.700 -0.016 0.000 1.014 326 T CA -0.714 61.451 62.100 0.107 0.000 0.986 326 T CB 1.456 70.368 68.868 0.074 0.000 1.021 326 T HN 0.498 nan 8.240 nan 0.000 0.458 327 I N 2.944 123.518 120.570 0.006 0.000 2.436 327 I HA 0.622 4.792 4.170 -0.000 0.000 0.289 327 I C -0.042 176.063 176.117 -0.021 0.000 1.010 327 I CA -0.594 60.613 61.300 -0.155 0.000 1.098 327 I CB 1.936 39.784 38.000 -0.253 0.000 1.266 327 I HN 1.033 nan 8.210 nan 0.000 0.434 328 S N 3.898 119.582 115.700 -0.026 0.000 2.615 328 S HA 0.413 4.883 4.470 -0.000 0.000 0.269 328 S C -1.068 173.542 174.600 0.016 0.000 1.161 328 S CA -1.151 57.065 58.200 0.027 0.000 0.817 328 S CB 1.545 64.748 63.200 0.005 0.000 1.131 328 S HN 0.567 nan 8.310 nan 0.000 0.467 329 Q N 0.390 120.204 119.800 0.024 0.000 2.349 329 Q HA 0.300 4.640 4.340 -0.000 0.000 0.287 329 Q C 1.664 177.664 176.000 -0.001 0.000 1.044 329 Q CA 0.332 56.144 55.803 0.015 0.000 0.918 329 Q CB 0.547 29.292 28.738 0.012 0.000 1.242 329 Q HN 0.910 nan 8.270 nan 0.000 0.405 330 A N 2.756 125.581 122.820 0.008 0.000 1.927 330 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 330 A C 2.003 179.586 177.584 -0.001 0.000 1.185 330 A CA 2.250 54.297 52.037 0.017 0.000 0.639 330 A CB -0.768 18.254 19.000 0.038 0.000 0.820 330 A HN 0.866 nan 8.150 nan 0.000 0.451 331 A N -0.490 122.285 122.820 -0.075 0.000 2.014 331 A HA 0.100 4.420 4.320 -0.000 0.000 0.218 331 A C 1.915 179.392 177.584 -0.179 0.000 1.163 331 A CA 1.598 53.486 52.037 -0.247 0.000 0.652 331 A CB -0.438 18.388 19.000 -0.290 0.000 0.808 331 A HN 0.825 nan 8.150 nan 0.000 0.449 332 S N -0.602 115.040 115.700 -0.096 0.000 2.561 332 S HA 0.547 5.017 4.470 -0.000 0.000 0.245 332 S C 1.304 175.864 174.600 -0.068 0.000 1.001 332 S CA 0.262 58.410 58.200 -0.086 0.000 1.002 332 S CB 0.428 63.569 63.200 -0.099 0.000 0.805 332 S HN 0.630 nan 8.310 nan 0.000 0.458 333 A N 2.167 124.966 122.820 -0.035 0.000 1.930 333 A HA 0.241 4.561 4.320 -0.000 0.000 0.217 333 A C 2.172 179.740 177.584 -0.026 0.000 1.175 333 A CA 1.392 53.409 52.037 -0.033 0.000 0.627 333 A CB -1.376 17.609 19.000 -0.024 0.000 0.815 333 A HN 0.586 nan 8.150 nan 0.000 0.443 334 G N 0.165 108.963 108.800 -0.005 0.000 2.433 334 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 334 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 334 G C 1.122 176.014 174.900 -0.014 0.000 1.186 334 G CA 1.204 46.308 45.100 0.008 0.000 0.779 334 G HN 0.461 nan 8.290 nan 0.000 0.543 335 D N 0.271 120.643 120.400 -0.047 0.000 2.123 335 D HA -0.102 4.538 4.640 -0.000 0.000 0.196 335 D C 2.739 178.962 176.300 -0.127 0.000 0.992 335 D CA 0.840 54.789 54.000 -0.086 0.000 0.833 335 D CB -0.518 40.210 40.800 -0.119 0.000 0.954 335 D HN 0.216 nan 8.370 nan 0.000 0.455 336 V N 1.093 120.919 119.914 -0.147 0.000 2.307 336 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 336 V C 2.519 178.545 176.094 -0.114 0.000 1.045 336 V CA 1.087 63.267 62.300 -0.200 0.000 1.024 336 V CB -0.321 31.381 31.823 -0.201 0.000 0.651 336 V HN 0.139 nan 8.190 nan 0.000 0.449 337 I N -0.402 120.166 120.570 -0.004 0.000 2.252 337 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 337 I C 2.498 178.696 176.117 0.136 0.000 1.102 337 I CA 1.589 62.973 61.300 0.139 0.000 1.385 337 I CB -0.447 37.642 38.000 0.148 0.000 1.064 337 I HN 0.236 nan 8.210 nan 0.000 0.414 338 K N 0.942 121.392 120.400 0.084 0.000 2.097 338 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 338 K C 2.284 178.900 176.600 0.028 0.000 1.050 338 K CA 1.426 57.776 56.287 0.106 0.000 0.938 338 K CB -0.271 32.267 32.500 0.064 0.000 0.718 338 K HN 0.311 nan 8.250 nan 0.000 0.442 339 A N 1.747 124.528 122.820 -0.065 0.000 1.898 339 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 339 A C 2.408 179.905 177.584 -0.145 0.000 1.181 339 A CA 1.708 53.676 52.037 -0.115 0.000 0.620 339 A CB -0.567 18.323 19.000 -0.182 0.000 0.819 339 A HN 0.312 nan 8.150 nan 0.000 0.442 340 A N -1.398 121.278 122.820 -0.240 0.000 1.873 340 A HA -0.088 4.232 4.320 -0.000 0.000 0.215 340 A C 2.173 179.529 177.584 -0.381 0.000 1.186 340 A CA 1.650 53.399 52.037 -0.480 0.000 0.616 340 A CB -0.847 17.566 19.000 -0.978 0.000 0.823 340 A HN 0.613 nan 8.150 nan 0.000 0.442 341 Y N 1.492 121.618 120.300 -0.290 0.000 2.128 341 Y HA -0.228 4.322 4.550 -0.000 0.000 0.284 341 Y C 2.064 178.014 175.900 0.084 0.000 1.154 341 Y CA 1.648 59.827 58.100 0.132 0.000 1.149 341 Y CB -1.130 37.501 38.460 0.284 0.000 0.976 341 Y HN 0.497 nan 8.280 nan 0.000 0.505 342 N N -0.671 118.044 118.700 0.026 0.000 2.149 342 N HA -0.234 4.506 4.740 -0.000 0.000 0.188 342 N C 1.843 177.332 175.510 -0.036 0.000 1.019 342 N CA 0.949 53.956 53.050 -0.071 0.000 0.857 342 N CB -0.167 38.282 38.487 -0.063 0.000 0.997 342 N HN 0.302 nan 8.380 nan 0.000 0.426 343 Q N 0.839 120.620 119.800 -0.032 0.000 2.167 343 Q HA -0.057 4.282 4.340 -0.000 0.000 0.202 343 Q C 2.031 178.048 176.000 0.028 0.000 0.970 343 Q CA 0.948 56.738 55.803 -0.022 0.000 0.855 343 Q CB -0.029 28.674 28.738 -0.057 0.000 0.911 343 Q HN 0.271 nan 8.270 nan 0.000 0.438 344 V N 0.606 120.574 119.914 0.090 0.000 2.488 344 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 344 V C 2.258 178.448 176.094 0.161 0.000 1.046 344 V CA 1.340 63.746 62.300 0.177 0.000 1.053 344 V CB -0.371 31.658 31.823 0.344 0.000 0.679 344 V HN 0.261 nan 8.190 nan 0.000 0.458 345 K N -0.249 120.211 120.400 0.100 0.000 2.097 345 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 345 K C 2.339 178.946 176.600 0.013 0.000 1.049 345 K CA 1.806 58.105 56.287 0.020 0.000 0.933 345 K CB -0.423 32.007 32.500 -0.116 0.000 0.717 345 K HN 0.418 nan 8.250 nan 0.000 0.442 346 T N 1.794 116.352 114.554 0.006 0.000 2.833 346 T HA -0.071 4.279 4.350 -0.000 0.000 0.269 346 T C 1.761 176.468 174.700 0.012 0.000 1.054 346 T CA 1.116 63.217 62.100 0.001 0.000 1.135 346 T CB -0.121 68.743 68.868 -0.006 0.000 0.869 346 T HN 0.342 nan 8.240 nan 0.000 0.466 347 I N -1.106 119.480 120.570 0.027 0.000 2.876 347 I HA 0.267 4.437 4.170 -0.000 0.000 0.264 347 I C 2.544 178.673 176.117 0.020 0.000 1.204 347 I CA 0.865 62.177 61.300 0.021 0.000 1.485 347 I CB -0.725 37.290 38.000 0.026 0.000 1.103 347 I HN 0.115 nan 8.210 nan 0.000 0.446 348 A N 1.319 124.165 122.820 0.042 0.000 1.930 348 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 348 A C 2.212 179.807 177.584 0.018 0.000 1.175 348 A CA 1.214 53.275 52.037 0.041 0.000 0.627 348 A CB -0.637 18.412 19.000 0.082 0.000 0.815 348 A HN 0.582 nan 8.150 nan 0.000 0.443 349 Q N -1.464 118.344 119.800 0.013 0.000 2.515 349 Q HA 0.218 4.558 4.340 -0.000 0.000 0.212 349 Q C 1.089 177.089 176.000 -0.002 0.000 0.970 349 Q CA 0.457 56.261 55.803 0.002 0.000 0.941 349 Q CB -0.052 28.684 28.738 -0.004 0.000 0.998 349 Q HN 0.884 nan 8.270 nan 0.000 0.518 350 G N 0.748 109.547 108.800 -0.002 0.000 2.176 350 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.232 350 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.232 350 G C -0.228 174.668 174.900 -0.006 0.000 0.986 350 G CA -0.191 44.904 45.100 -0.007 0.000 0.643 350 G HN 0.398 nan 8.290 nan 0.000 0.522 351 N N 0.481 119.178 118.700 -0.003 0.000 2.968 351 N HA 0.543 5.283 4.740 -0.000 0.000 0.271 351 N C -0.536 174.973 175.510 -0.002 0.000 1.174 351 N CA 0.077 53.125 53.050 -0.003 0.000 1.096 351 N CB 0.844 39.330 38.487 -0.003 0.000 1.403 351 N HN 0.469 nan 8.380 nan 0.000 0.522 352 L N 0.686 121.906 121.223 -0.005 0.000 2.464 352 L HA 0.515 4.854 4.340 -0.000 0.000 0.266 352 L C -0.472 176.394 176.870 -0.007 0.000 0.965 352 L CA -0.626 54.212 54.840 -0.005 0.000 0.833 352 L CB 1.905 43.958 42.059 -0.009 0.000 1.296 352 L HN 0.217 nan 8.230 nan 0.000 0.405 353 S N 3.452 119.149 115.700 -0.005 0.000 2.585 353 S HA 0.280 4.750 4.470 -0.000 0.000 0.277 353 S C 0.836 175.431 174.600 -0.008 0.000 1.241 353 S CA -0.210 57.987 58.200 -0.006 0.000 1.041 353 S CB 0.974 64.171 63.200 -0.004 0.000 0.987 353 S HN 0.877 nan 8.310 nan 0.000 0.512 354 N N 2.961 121.655 118.700 -0.010 0.000 2.069 354 N HA -0.054 4.686 4.740 -0.000 0.000 0.191 354 N C -1.119 174.385 175.510 -0.010 0.000 1.031 354 N CA 1.660 54.703 53.050 -0.012 0.000 0.852 354 N CB -1.257 37.222 38.487 -0.013 0.000 1.018 354 N HN 0.505 nan 8.380 nan 0.000 0.423 355 P HA -0.076 nan 4.420 nan 0.000 0.218 355 P C 0.497 177.793 177.300 -0.006 0.000 1.146 355 P CA 1.194 64.290 63.100 -0.008 0.000 0.813 355 P CB -0.041 31.655 31.700 -0.007 0.000 0.778 356 D N -1.316 119.082 120.400 -0.003 0.000 2.120 356 D HA -0.069 4.571 4.640 -0.000 0.000 0.202 356 D C 2.087 178.389 176.300 0.004 0.000 0.972 356 D CA 0.807 54.809 54.000 0.002 0.000 0.837 356 D CB -0.959 39.845 40.800 0.006 0.000 0.989 356 D HN -0.058 nan 8.370 nan 0.000 0.469 357 V N 0.975 120.887 119.914 -0.002 0.000 2.332 357 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 357 V C 2.531 178.620 176.094 -0.008 0.000 1.055 357 V CA 1.634 63.931 62.300 -0.006 0.000 1.038 357 V CB -0.421 31.391 31.823 -0.018 0.000 0.651 357 V HN 0.113 nan 8.190 nan 0.000 0.450 358 Q N 0.386 120.180 119.800 -0.011 0.000 2.050 358 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 358 Q C 2.174 178.167 176.000 -0.012 0.000 0.980 358 Q CA 2.389 58.184 55.803 -0.013 0.000 0.840 358 Q CB -0.668 28.063 28.738 -0.013 0.000 0.898 358 Q HN 0.599 nan 8.270 nan 0.000 0.424 359 A N 0.069 122.884 122.820 -0.008 0.000 1.933 359 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 359 A C 2.263 179.849 177.584 0.003 0.000 1.175 359 A CA 1.821 53.852 52.037 -0.009 0.000 0.628 359 A CB -1.116 17.876 19.000 -0.014 0.000 0.814 359 A HN 0.503 nan 8.150 nan 0.000 0.444 360 A N -0.137 122.695 122.820 0.021 0.000 1.933 360 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 360 A C 2.088 179.667 177.584 -0.009 0.000 1.175 360 A CA 1.731 53.805 52.037 0.062 0.000 0.628 360 A CB -0.430 18.626 19.000 0.093 0.000 0.814 360 A HN 0.524 nan 8.150 nan 0.000 0.444 361 K N -0.211 120.175 120.400 -0.024 0.000 2.103 361 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 361 K C 1.574 178.139 176.600 -0.059 0.000 1.048 361 K CA 1.771 58.026 56.287 -0.053 0.000 0.930 361 K CB -0.344 32.132 32.500 -0.039 0.000 0.716 361 K HN 0.670 nan 8.250 nan 0.000 0.444 362 N N 0.462 119.143 118.700 -0.033 0.000 2.396 362 N HA -0.088 4.652 4.740 -0.000 0.000 0.180 362 N C 1.351 176.856 175.510 -0.008 0.000 1.028 362 N CA 0.594 53.634 53.050 -0.018 0.000 0.893 362 N CB 0.156 38.640 38.487 -0.005 0.000 0.967 362 N HN 0.172 nan 8.380 nan 0.000 0.440 363 K N 0.440 120.832 120.400 -0.013 0.000 2.137 363 K HA -0.008 4.312 4.320 -0.000 0.000 0.202 363 K C 1.717 178.244 176.600 -0.121 0.000 1.052 363 K CA 0.462 56.786 56.287 0.062 0.000 0.961 363 K CB -0.115 32.545 32.500 0.268 0.000 0.741 363 K HN 0.041 nan 8.250 nan 0.000 0.452 364 L N 2.473 123.439 121.223 -0.428 0.000 1.994 364 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 364 L C 1.950 178.745 176.870 -0.126 0.000 1.071 364 L CA 1.897 56.446 54.840 -0.486 0.000 0.745 364 L CB -0.412 41.383 42.059 -0.439 0.000 0.892 364 L HN -0.017 nan 8.230 nan 0.000 0.431 365 K N -0.699 119.656 120.400 -0.075 0.000 2.009 365 K HA -0.148 4.172 4.320 -0.000 0.000 0.210 365 K C 2.084 178.724 176.600 0.066 0.000 1.049 365 K CA 1.649 57.945 56.287 0.014 0.000 0.929 365 K CB -0.491 32.009 32.500 -0.001 0.000 0.714 365 K HN 0.491 nan 8.250 nan 0.000 0.440 366 A N 0.861 123.705 122.820 0.041 0.000 1.902 366 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 366 A C 2.413 180.035 177.584 0.063 0.000 1.181 366 A CA 1.925 53.995 52.037 0.055 0.000 0.623 366 A CB -1.244 17.792 19.000 0.060 0.000 0.818 366 A HN 0.450 nan 8.150 nan 0.000 0.443 367 G N -1.770 107.073 108.800 0.073 0.000 2.422 367 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 367 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 367 G C 1.548 176.511 174.900 0.104 0.000 1.146 367 G CA 1.330 46.480 45.100 0.084 0.000 0.769 367 G HN 0.590 nan 8.290 nan 0.000 0.547 368 Y N 1.024 121.329 120.300 0.009 0.000 2.184 368 Y HA 0.088 4.638 4.550 -0.000 0.000 0.290 368 Y C 2.563 178.484 175.900 0.036 0.000 1.129 368 Y CA 1.037 59.150 58.100 0.021 0.000 1.144 368 Y CB -0.318 38.144 38.460 0.005 0.000 0.995 368 Y HN 0.097 nan 8.280 nan 0.000 0.513 369 L N -0.575 120.643 121.223 -0.008 0.000 2.042 369 L HA -0.297 4.043 4.340 -0.000 0.000 0.210 369 L C 2.517 179.329 176.870 -0.096 0.000 1.076 369 L CA 1.837 56.626 54.840 -0.084 0.000 0.749 369 L CB -0.509 41.561 42.059 0.018 0.000 0.893 369 L HN 0.316 nan 8.230 nan 0.000 0.432 370 M N -0.687 118.887 119.600 -0.043 0.000 2.132 370 M HA -0.172 4.308 4.480 -0.000 0.000 0.263 370 M C 2.557 178.828 176.300 -0.048 0.000 1.065 370 M CA 1.978 57.258 55.300 -0.033 0.000 1.122 370 M CB -0.331 32.265 32.600 -0.007 0.000 1.365 370 M HN 0.368 nan 8.290 nan 0.000 0.411 371 S N 0.054 115.715 115.700 -0.064 0.000 2.442 371 S HA -0.065 4.405 4.470 -0.000 0.000 0.236 371 S C 1.397 175.955 174.600 -0.070 0.000 1.007 371 S CA 1.069 59.237 58.200 -0.053 0.000 0.965 371 S CB -0.946 62.238 63.200 -0.026 0.000 0.773 371 S HN 0.460 nan 8.310 nan 0.000 0.504 372 V N -1.821 118.012 119.914 -0.134 0.000 3.342 372 V HA 0.433 4.553 4.120 -0.000 0.000 0.322 372 V C 1.597 177.693 176.094 0.004 0.000 1.370 372 V CA 0.090 62.375 62.300 -0.025 0.000 1.170 372 V CB -0.599 31.215 31.823 -0.014 0.000 1.101 372 V HN 0.329 nan 8.190 nan 0.000 0.442 373 E N 2.068 122.251 120.200 -0.027 0.000 2.072 373 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 373 E C 1.472 178.058 176.600 -0.023 0.000 0.985 373 E CA 1.172 57.551 56.400 -0.034 0.000 0.801 373 E CB 0.126 29.810 29.700 -0.027 0.000 0.750 373 E HN 0.868 nan 8.360 nan 0.000 0.452 374 S N -0.726 114.979 115.700 0.008 0.000 2.672 374 S HA 0.129 4.599 4.470 -0.000 0.000 0.276 374 S C 1.127 175.764 174.600 0.061 0.000 1.207 374 S CA -0.138 58.074 58.200 0.020 0.000 1.002 374 S CB 1.662 64.878 63.200 0.026 0.000 0.998 374 S HN 0.156 nan 8.310 nan 0.000 0.542 375 S N -0.084 115.652 115.700 0.061 0.000 2.447 375 S HA -0.152 4.318 4.470 -0.000 0.000 0.233 375 S C 1.553 176.248 174.600 0.159 0.000 1.006 375 S CA 0.861 59.132 58.200 0.119 0.000 0.957 375 S CB -0.832 62.416 63.200 0.079 0.000 0.773 375 S HN 0.939 nan 8.310 nan 0.000 0.507 376 E N 1.493 121.759 120.200 0.110 0.000 2.170 376 E HA 0.110 4.460 4.350 -0.000 0.000 0.191 376 E C 2.073 178.742 176.600 0.115 0.000 0.981 376 E CA 0.778 57.241 56.400 0.105 0.000 0.830 376 E CB -0.882 28.859 29.700 0.068 0.000 0.775 376 E HN 0.509 nan 8.360 nan 0.000 0.470 377 G N 0.191 109.055 108.800 0.107 0.000 2.464 377 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 377 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 377 G C 1.209 176.182 174.900 0.122 0.000 1.138 377 G CA 0.391 45.546 45.100 0.092 0.000 0.793 377 G HN 0.311 nan 8.290 nan 0.000 0.539 378 F N 0.930 120.880 119.950 0.000 0.000 2.128 378 F HA 0.156 4.683 4.527 -0.000 0.000 0.295 378 F C 2.250 178.060 175.800 0.018 0.000 1.100 378 F CA 0.645 58.644 58.000 -0.002 0.000 1.260 378 F CB -0.198 38.795 39.000 -0.012 0.000 1.009 378 F HN 0.007 nan 8.300 nan 0.000 0.476 379 L N 0.422 121.685 121.223 0.067 0.000 2.043 379 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 379 L C 1.929 178.795 176.870 -0.006 0.000 1.075 379 L CA 2.638 57.486 54.840 0.013 0.000 0.752 379 L CB -1.002 41.160 42.059 0.172 0.000 0.891 379 L HN 0.259 nan 8.230 nan 0.000 0.432 380 D N -0.760 119.694 120.400 0.089 0.000 2.149 380 D HA -0.225 4.415 4.640 -0.000 0.000 0.201 380 D C 2.022 178.271 176.300 -0.085 0.000 0.972 380 D CA 1.069 55.150 54.000 0.135 0.000 0.835 380 D CB 0.252 41.155 40.800 0.172 0.000 0.966 380 D HN 0.239 nan 8.370 nan 0.000 0.476 381 E N -0.073 120.074 120.200 -0.089 0.000 2.028 381 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 381 E C 2.103 178.600 176.600 -0.171 0.000 0.988 381 E CA 1.156 57.514 56.400 -0.070 0.000 0.799 381 E CB -0.506 29.194 29.700 -0.001 0.000 0.755 381 E HN 0.164 nan 8.360 nan 0.000 0.447 382 V N 0.437 120.132 119.914 -0.365 0.000 2.392 382 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 382 V C 2.297 178.155 176.094 -0.393 0.000 1.059 382 V CA 1.949 64.029 62.300 -0.367 0.000 1.051 382 V CB -1.127 30.305 31.823 -0.652 0.000 0.658 382 V HN 0.488 nan 8.190 nan 0.000 0.455 383 G N -0.482 107.868 108.800 -0.749 0.000 2.402 383 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 383 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 383 G C 1.809 176.199 174.900 -0.850 0.000 1.162 383 G CA 1.076 45.314 45.100 -1.437 0.000 0.777 383 G HN 0.537 nan 8.290 nan 0.000 0.539 384 S N 0.397 115.791 115.700 -0.510 0.000 2.383 384 S HA -0.110 4.360 4.470 -0.000 0.000 0.227 384 S C 2.283 176.838 174.600 -0.075 0.000 1.026 384 S CA 1.122 59.232 58.200 -0.150 0.000 0.981 384 S CB -0.247 62.934 63.200 -0.031 0.000 0.818 384 S HN 0.469 nan 8.310 nan 0.000 0.472 385 Q N 0.682 120.439 119.800 -0.071 0.000 2.124 385 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 385 Q C 2.501 178.531 176.000 0.049 0.000 0.977 385 Q CA 1.305 57.112 55.803 0.006 0.000 0.850 385 Q CB -0.344 28.426 28.738 0.054 0.000 0.901 385 Q HN 0.623 nan 8.270 nan 0.000 0.429 386 A N 0.654 123.494 122.820 0.033 0.000 1.898 386 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 386 A C 2.008 179.646 177.584 0.090 0.000 1.181 386 A CA 0.950 53.071 52.037 0.140 0.000 0.620 386 A CB -0.484 18.540 19.000 0.039 0.000 0.819 386 A HN 0.259 nan 8.150 nan 0.000 0.442 387 L N -1.100 120.139 121.223 0.027 0.000 2.044 387 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 387 L C 3.130 180.042 176.870 0.069 0.000 1.075 387 L CA 1.032 55.906 54.840 0.057 0.000 0.747 387 L CB -0.634 41.468 42.059 0.072 0.000 0.903 387 L HN 0.434 nan 8.230 nan 0.000 0.435 388 A N -0.157 122.699 122.820 0.059 0.000 1.873 388 A HA -0.066 4.253 4.320 -0.000 0.000 0.215 388 A C 2.229 179.845 177.584 0.053 0.000 1.186 388 A CA 1.963 54.036 52.037 0.060 0.000 0.616 388 A CB -0.466 18.562 19.000 0.047 0.000 0.823 388 A HN 0.419 nan 8.150 nan 0.000 0.442 389 A N -3.055 119.794 122.820 0.047 0.000 2.259 389 A HA 0.462 4.782 4.320 -0.000 0.000 0.213 389 A C 1.702 179.318 177.584 0.052 0.000 1.209 389 A CA 1.101 53.158 52.037 0.033 0.000 0.910 389 A CB -0.306 18.693 19.000 -0.002 0.000 0.946 389 A HN 1.933 nan 8.150 nan 0.000 0.497 390 G N -0.046 108.823 108.800 0.114 0.000 2.153 390 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.252 390 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.252 390 G C 0.263 175.280 174.900 0.195 0.000 0.994 390 G CA 1.064 46.285 45.100 0.203 0.000 0.698 390 G HN 1.913 nan 8.290 nan 0.000 0.521 391 S N -1.759 113.940 115.700 -0.003 0.000 2.643 391 S HA 0.683 5.153 4.470 -0.000 0.000 0.270 391 S C -0.919 173.422 174.600 -0.432 0.000 1.166 391 S CA -0.729 57.118 58.200 -0.588 0.000 0.815 391 S CB 2.111 65.072 63.200 -0.398 0.000 1.139 391 S HN 1.346 nan 8.310 nan 0.000 0.472 392 Y N 0.954 120.793 120.300 -0.768 0.000 2.341 392 Y HA 0.614 5.164 4.550 -0.000 0.000 0.337 392 Y C -0.803 174.975 175.900 -0.203 0.000 1.014 392 Y CA -0.347 57.572 58.100 -0.301 0.000 1.111 392 Y CB 1.822 40.186 38.460 -0.159 0.000 1.194 392 Y HN 0.818 nan 8.280 nan 0.000 0.462 393 T N 8.256 122.341 114.554 -0.782 0.000 2.833 393 T HA 0.350 4.700 4.350 -0.000 0.000 0.297 393 T C -2.807 171.376 174.700 -0.862 0.000 1.015 393 T CA -1.558 60.168 62.100 -0.623 0.000 0.963 393 T CB 1.278 69.955 68.868 -0.319 0.000 0.955 393 T HN 0.412 nan 8.240 nan 0.000 0.449 394 P HA 0.275 nan 4.420 nan 0.000 0.274 394 P C -1.934 175.313 177.300 -0.089 0.000 1.246 394 P CA -1.705 61.160 63.100 -0.391 0.000 0.795 394 P CB 0.178 31.788 31.700 -0.149 0.000 1.006 395 P HA -0.228 nan 4.420 nan 0.000 0.217 395 P C 1.490 178.833 177.300 0.072 0.000 1.151 395 P CA 2.027 65.226 63.100 0.164 0.000 0.849 395 P CB -0.416 31.380 31.700 0.159 0.000 0.787 396 S N -1.651 114.065 115.700 0.027 0.000 2.423 396 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 396 S C 1.972 176.556 174.600 -0.027 0.000 1.014 396 S CA 1.740 59.942 58.200 0.004 0.000 0.965 396 S CB -1.862 61.339 63.200 0.001 0.000 0.785 396 S HN 0.321 nan 8.310 nan 0.000 0.495 397 T N -0.358 114.163 114.554 -0.055 0.000 3.035 397 T HA 0.172 4.522 4.350 -0.000 0.000 0.259 397 T C 1.712 176.353 174.700 -0.100 0.000 1.078 397 T CA 0.651 62.704 62.100 -0.079 0.000 1.132 397 T CB -0.535 68.274 68.868 -0.099 0.000 0.900 397 T HN 0.191 nan 8.240 nan 0.000 0.480 398 V N 1.529 121.375 119.914 -0.113 0.000 2.307 398 V HA -0.048 4.072 4.120 -0.000 0.000 0.245 398 V C 2.689 178.697 176.094 -0.143 0.000 1.045 398 V CA 1.278 63.468 62.300 -0.183 0.000 1.024 398 V CB -0.790 30.848 31.823 -0.308 0.000 0.651 398 V HN 0.341 nan 8.190 nan 0.000 0.449 399 L N -0.009 121.170 121.223 -0.073 0.000 2.012 399 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 399 L C 2.608 179.445 176.870 -0.054 0.000 1.073 399 L CA 2.253 57.066 54.840 -0.046 0.000 0.748 399 L CB -1.135 40.922 42.059 -0.002 0.000 0.891 399 L HN 0.489 nan 8.230 nan 0.000 0.431 400 Q N -0.949 118.820 119.800 -0.051 0.000 2.135 400 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 400 Q C 2.140 178.105 176.000 -0.058 0.000 0.981 400 Q CA 1.790 57.564 55.803 -0.048 0.000 0.856 400 Q CB -0.060 28.650 28.738 -0.046 0.000 0.902 400 Q HN 0.586 nan 8.270 nan 0.000 0.425 401 Q N -0.029 119.726 119.800 -0.075 0.000 2.119 401 Q HA -0.078 4.262 4.340 -0.000 0.000 0.201 401 Q C 2.064 178.017 176.000 -0.077 0.000 0.972 401 Q CA 1.322 57.077 55.803 -0.079 0.000 0.847 401 Q CB 0.063 28.742 28.738 -0.098 0.000 0.903 401 Q HN 0.489 nan 8.270 nan 0.000 0.433 402 I N 0.733 121.250 120.570 -0.087 0.000 2.353 402 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 402 I C 1.532 177.612 176.117 -0.062 0.000 1.119 402 I CA 0.797 62.049 61.300 -0.081 0.000 1.417 402 I CB -0.158 37.787 38.000 -0.091 0.000 1.078 402 I HN 0.150 nan 8.210 nan 0.000 0.421 403 D N 1.237 121.604 120.400 -0.054 0.000 2.144 403 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 403 D C 2.152 178.427 176.300 -0.041 0.000 0.984 403 D CA 1.422 55.396 54.000 -0.043 0.000 0.834 403 D CB 0.021 40.799 40.800 -0.036 0.000 0.955 403 D HN 0.325 nan 8.370 nan 0.000 0.465 404 A N 0.528 123.322 122.820 -0.044 0.000 2.209 404 A HA 0.017 4.337 4.320 -0.000 0.000 0.212 404 A C 1.110 178.668 177.584 -0.043 0.000 1.158 404 A CA 0.104 52.117 52.037 -0.041 0.000 0.742 404 A CB -0.034 18.942 19.000 -0.040 0.000 0.790 404 A HN 0.028 nan 8.150 nan 0.000 0.472 405 V N 0.863 120.748 119.914 -0.049 0.000 2.521 405 V HA 0.378 4.498 4.120 -0.000 0.000 0.286 405 V C 0.799 176.863 176.094 -0.050 0.000 1.034 405 V CA 0.041 62.308 62.300 -0.054 0.000 1.045 405 V CB 0.446 32.232 31.823 -0.061 0.000 0.974 405 V HN 0.504 nan 8.190 nan 0.000 0.480 406 A N 3.444 126.233 122.820 -0.052 0.000 2.282 406 A HA 0.490 4.810 4.320 -0.000 0.000 0.319 406 A C 0.889 178.441 177.584 -0.053 0.000 1.121 406 A CA -0.537 51.472 52.037 -0.046 0.000 0.836 406 A CB 0.465 19.441 19.000 -0.041 0.000 1.146 406 A HN 0.818 nan 8.150 nan 0.000 0.494 407 D N 1.040 121.414 120.400 -0.044 0.000 2.133 407 D HA -0.159 4.481 4.640 -0.000 0.000 0.195 407 D C 2.051 178.319 176.300 -0.054 0.000 0.997 407 D CA 2.313 56.287 54.000 -0.045 0.000 0.840 407 D CB -0.167 40.614 40.800 -0.033 0.000 0.947 407 D HN 0.630 nan 8.370 nan 0.000 0.452 408 A N 0.688 123.479 122.820 -0.050 0.000 1.969 408 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 408 A C 1.735 179.276 177.584 -0.072 0.000 1.169 408 A CA 1.500 53.506 52.037 -0.052 0.000 0.635 408 A CB -0.279 18.697 19.000 -0.039 0.000 0.810 408 A HN 0.081 nan 8.150 nan 0.000 0.445 409 D N -0.012 120.338 120.400 -0.083 0.000 2.097 409 D HA -0.111 4.529 4.640 -0.000 0.000 0.195 409 D C 2.075 178.267 176.300 -0.179 0.000 0.989 409 D CA 1.553 55.484 54.000 -0.116 0.000 0.827 409 D CB -0.452 40.285 40.800 -0.106 0.000 0.966 409 D HN 0.238 nan 8.370 nan 0.000 0.456 410 V N 1.567 121.383 119.914 -0.164 0.000 2.407 410 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 410 V C 2.538 178.519 176.094 -0.188 0.000 1.055 410 V CA 1.080 63.261 62.300 -0.200 0.000 1.049 410 V CB -0.341 31.408 31.823 -0.124 0.000 0.662 410 V HN 0.185 nan 8.190 nan 0.000 0.455 411 I N 0.103 120.601 120.570 -0.121 0.000 2.252 411 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 411 I C 2.423 178.484 176.117 -0.093 0.000 1.102 411 I CA 1.232 62.482 61.300 -0.084 0.000 1.385 411 I CB -0.488 37.481 38.000 -0.051 0.000 1.064 411 I HN 0.344 nan 8.210 nan 0.000 0.414 412 N N 1.220 119.852 118.700 -0.113 0.000 2.120 412 N HA -0.154 4.586 4.740 -0.000 0.000 0.188 412 N C 1.917 177.335 175.510 -0.152 0.000 1.024 412 N CA 1.692 54.681 53.050 -0.102 0.000 0.852 412 N CB -0.321 38.112 38.487 -0.089 0.000 1.003 412 N HN 0.351 nan 8.380 nan 0.000 0.424 413 A N 1.152 123.761 122.820 -0.352 0.000 1.865 413 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 413 A C 2.402 179.777 177.584 -0.348 0.000 1.191 413 A CA 2.209 53.802 52.037 -0.739 0.000 0.623 413 A CB -1.037 17.091 19.000 -1.454 0.000 0.826 413 A HN 0.325 nan 8.150 nan 0.000 0.444 414 A N -0.602 122.075 122.820 -0.239 0.000 1.948 414 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 414 A C 2.120 179.801 177.584 0.163 0.000 1.177 414 A CA 2.234 54.281 52.037 0.017 0.000 0.636 414 A CB -0.449 18.560 19.000 0.015 0.000 0.815 414 A HN 0.537 nan 8.150 nan 0.000 0.449 415 K N -0.452 119.991 120.400 0.071 0.000 2.097 415 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 415 K C 2.126 178.804 176.600 0.131 0.000 1.050 415 K CA 1.670 58.011 56.287 0.091 0.000 0.938 415 K CB -0.075 32.446 32.500 0.035 0.000 0.718 415 K HN 0.478 nan 8.250 nan 0.000 0.442 416 K N 0.152 120.638 120.400 0.144 0.000 2.057 416 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 416 K C 1.808 178.563 176.600 0.258 0.000 1.050 416 K CA 1.275 57.673 56.287 0.186 0.000 0.935 416 K CB -0.358 32.285 32.500 0.238 0.000 0.715 416 K HN 0.072 nan 8.250 nan 0.000 0.439 417 F N 0.851 120.936 119.950 0.224 0.000 2.051 417 F HA -0.178 4.349 4.527 -0.000 0.000 0.296 417 F C 1.736 177.680 175.800 0.240 0.000 1.122 417 F CA 1.710 59.874 58.000 0.273 0.000 1.201 417 F CB -0.619 38.625 39.000 0.407 0.000 0.978 417 F HN -0.129 nan 8.300 nan 0.000 0.472 418 V N 0.399 120.454 119.914 0.235 0.000 2.324 418 V HA -0.324 3.796 4.120 -0.000 0.000 0.250 418 V C 2.394 178.501 176.094 0.022 0.000 1.060 418 V CA 2.265 64.642 62.300 0.128 0.000 1.042 418 V CB -1.300 30.642 31.823 0.198 0.000 0.650 418 V HN 0.608 nan 8.190 nan 0.000 0.450 419 S N -0.489 115.230 115.700 0.031 0.000 2.575 419 S HA 0.261 4.731 4.470 -0.000 0.000 0.215 419 S C 1.020 175.614 174.600 -0.011 0.000 0.966 419 S CA 0.262 58.470 58.200 0.014 0.000 0.911 419 S CB 0.080 63.297 63.200 0.029 0.000 0.780 419 S HN 0.555 nan 8.310 nan 0.000 0.514 420 G N 1.220 109.996 108.800 -0.041 0.000 2.448 420 G HA2 0.452 4.412 3.960 -0.000 0.000 0.285 420 G HA3 0.452 4.412 3.960 -0.000 0.000 0.285 420 G C -0.433 174.429 174.900 -0.063 0.000 1.176 420 G CA -0.986 44.086 45.100 -0.047 0.000 0.852 420 G HN 0.405 nan 8.290 nan 0.000 0.530 421 R N 0.600 121.095 120.500 -0.007 0.000 2.640 421 R HA 0.115 4.455 4.340 -0.000 0.000 0.270 421 R C 0.054 176.369 176.300 0.026 0.000 1.024 421 R CA 0.184 56.296 56.100 0.019 0.000 1.085 421 R CB 0.358 30.707 30.300 0.083 0.000 0.963 421 R HN 0.319 nan 8.270 nan 0.000 0.426 422 K N 1.408 121.779 120.400 -0.048 0.000 2.211 422 K HA 0.398 4.718 4.320 -0.000 0.000 0.237 422 K C -0.698 175.849 176.600 -0.089 0.000 1.002 422 K CA -0.713 55.525 56.287 -0.082 0.000 0.885 422 K CB 2.059 34.443 32.500 -0.193 0.000 1.136 422 K HN 0.519 nan 8.250 nan 0.000 0.448 423 S N 0.636 116.273 115.700 -0.105 0.000 2.536 423 S HA 0.600 5.070 4.470 -0.000 0.000 0.287 423 S C -0.797 173.691 174.600 -0.187 0.000 1.101 423 S CA -0.751 57.348 58.200 -0.168 0.000 0.950 423 S CB 1.713 64.809 63.200 -0.174 0.000 1.056 423 S HN 0.535 nan 8.310 nan 0.000 0.481 424 M N 2.305 121.794 119.600 -0.186 0.000 2.433 424 M HA 0.734 5.214 4.480 -0.000 0.000 0.290 424 M C -1.802 174.389 176.300 -0.182 0.000 1.173 424 M CA -0.535 54.639 55.300 -0.210 0.000 0.905 424 M CB 1.983 34.463 32.600 -0.200 0.000 1.692 424 M HN 0.828 nan 8.290 nan 0.000 0.462 425 A N 2.473 125.170 122.820 -0.205 0.000 2.454 425 A HA 1.033 5.353 4.320 -0.000 0.000 0.302 425 A C -1.629 175.834 177.584 -0.200 0.000 1.079 425 A CA -0.398 51.539 52.037 -0.166 0.000 0.731 425 A CB 1.822 20.748 19.000 -0.124 0.000 1.299 425 A HN 1.074 nan 8.150 nan 0.000 0.413 426 A N 0.632 123.349 122.820 -0.172 0.000 2.566 426 A HA 0.815 5.135 4.320 -0.000 0.000 0.297 426 A C -0.527 176.976 177.584 -0.134 0.000 1.059 426 A CA 0.172 52.109 52.037 -0.166 0.000 0.691 426 A CB 1.128 20.019 19.000 -0.182 0.000 1.282 426 A HN 2.202 nan 8.150 nan 0.000 0.401 427 S N 0.409 116.055 115.700 -0.090 0.000 2.548 427 S HA 0.999 5.469 4.470 -0.000 0.000 0.286 427 S C 0.082 174.661 174.600 -0.036 0.000 1.098 427 S CA -0.088 58.059 58.200 -0.089 0.000 0.930 427 S CB 1.549 64.683 63.200 -0.111 0.000 1.070 427 S HN 2.788 nan 8.310 nan 0.000 0.480 428 G N 1.541 110.316 108.800 -0.041 0.000 2.302 428 G HA2 0.076 4.036 3.960 -0.000 0.000 0.276 428 G HA3 0.076 4.036 3.960 -0.000 0.000 0.276 428 G C -1.600 173.288 174.900 -0.020 0.000 1.316 428 G CA -0.948 44.147 45.100 -0.007 0.000 0.988 428 G HN 0.853 nan 8.290 nan 0.000 0.479 429 N N 1.203 119.902 118.700 -0.001 0.000 2.415 429 N HA 0.307 5.047 4.740 -0.000 0.000 0.250 429 N C 1.486 176.990 175.510 -0.010 0.000 1.127 429 N CA -0.307 52.742 53.050 -0.001 0.000 0.945 429 N CB 0.322 38.822 38.487 0.023 0.000 1.196 429 N HN 0.465 nan 8.380 nan 0.000 0.499 430 L N 2.088 123.281 121.223 -0.050 0.000 2.599 430 L HA 0.149 4.489 4.340 -0.000 0.000 0.230 430 L C 2.178 178.982 176.870 -0.110 0.000 1.141 430 L CA 0.098 54.881 54.840 -0.096 0.000 0.877 430 L CB -0.274 41.688 42.059 -0.160 0.000 1.009 430 L HN 0.532 nan 8.230 nan 0.000 0.447 431 G N -0.183 108.569 108.800 -0.080 0.000 2.657 431 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.224 431 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.224 431 G C 1.169 175.819 174.900 -0.417 0.000 1.086 431 G CA 0.862 45.848 45.100 -0.191 0.000 0.730 431 G HN 0.538 nan 8.290 nan 0.000 0.602 432 H N -0.770 118.267 119.070 -0.055 0.000 2.767 432 H HA 0.169 4.725 4.556 -0.000 0.000 0.260 432 H C -0.152 175.133 175.328 -0.071 0.000 1.172 432 H CA -0.054 55.966 56.048 -0.048 0.000 1.048 432 H CB 0.602 30.345 29.762 -0.032 0.000 1.697 432 H HN 0.109 nan 8.280 nan 0.000 0.606 433 T N 5.299 119.817 114.554 -0.061 0.000 2.733 433 T HA 0.198 4.548 4.350 -0.000 0.000 0.294 433 T C -2.225 172.360 174.700 -0.191 0.000 0.956 433 T CA -1.286 60.745 62.100 -0.116 0.000 0.987 433 T CB 1.944 70.712 68.868 -0.167 0.000 0.920 433 T HN 0.156 nan 8.240 nan 0.000 0.470 434 P HA 0.170 nan 4.420 nan 0.000 0.268 434 P C -0.335 176.885 177.300 -0.132 0.000 1.205 434 P CA -0.352 62.712 63.100 -0.059 0.000 0.771 434 P CB 0.557 32.266 31.700 0.015 0.000 0.858 435 F N 0.758 120.683 119.950 -0.041 0.000 2.373 435 F HA 0.138 4.665 4.527 -0.000 0.000 0.302 435 F C 2.416 178.181 175.800 -0.059 0.000 1.247 435 F CA -0.147 57.819 58.000 -0.056 0.000 1.169 435 F CB -0.200 38.771 39.000 -0.049 0.000 1.309 435 F HN 0.208 nan 8.300 nan 0.000 0.537 436 I N 0.398 121.057 120.570 0.147 0.000 2.202 436 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 436 I C 1.980 178.124 176.117 0.046 0.000 1.091 436 I CA 1.476 62.794 61.300 0.030 0.000 1.368 436 I CB -0.470 37.517 38.000 -0.023 0.000 1.058 436 I HN 0.615 nan 8.210 nan 0.000 0.410 437 D N 0.912 121.346 120.400 0.057 0.000 2.309 437 D HA -0.224 4.416 4.640 -0.000 0.000 0.212 437 D C 1.418 177.754 176.300 0.059 0.000 0.968 437 D CA 1.086 55.107 54.000 0.036 0.000 0.882 437 D CB -0.624 40.174 40.800 -0.003 0.000 0.918 437 D HN 0.466 nan 8.370 nan 0.000 0.503 438 E N -0.186 120.073 120.200 0.097 0.000 2.489 438 E HA 0.162 4.512 4.350 -0.000 0.000 0.193 438 E C 0.706 177.365 176.600 0.098 0.000 1.057 438 E CA -0.268 56.190 56.400 0.096 0.000 0.866 438 E CB 0.416 30.192 29.700 0.128 0.000 0.916 438 E HN 0.357 nan 8.360 nan 0.000 0.500 439 L N 0.000 121.289 121.223 0.109 0.000 2.949 439 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 439 L CA 0.000 54.946 54.840 0.177 0.000 0.813 439 L CB 0.000 42.147 42.059 0.146 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502