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 2jj1_1_E DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.834 174.700 0.224 0.000 1.109 9 T CA 0.000 62.172 62.100 0.120 0.000 1.349 9 T CB 0.000 68.938 68.868 0.117 0.000 0.612 10 T N 0.836 115.497 114.554 0.179 0.000 2.840 10 T HA 0.756 5.111 4.350 0.009 0.000 0.287 10 T C 0.379 174.963 174.700 -0.193 0.000 0.991 10 T CA -0.146 61.990 62.100 0.061 0.000 0.964 10 T CB 1.228 70.096 68.868 -0.001 0.000 0.954 10 T HN 1.085 nan 8.240 nan 0.000 0.438 11 G N 2.215 110.566 108.800 -0.748 0.000 2.601 11 G HA2 0.763 4.728 3.960 0.009 0.000 0.317 11 G HA3 0.763 4.728 3.960 0.009 0.000 0.317 11 G C -1.057 173.467 174.900 -0.626 0.000 1.246 11 G CA -0.883 43.490 45.100 -1.211 0.000 1.012 11 G HN 0.606 nan 8.290 nan 0.000 0.494 12 R N -0.615 119.601 120.500 -0.475 0.000 2.561 12 R HA 0.358 4.703 4.340 0.009 0.000 0.297 12 R C -0.504 175.683 176.300 -0.188 0.000 0.969 12 R CA -0.726 55.224 56.100 -0.250 0.000 0.879 12 R CB 2.418 32.617 30.300 -0.168 0.000 1.178 12 R HN 0.376 nan 8.270 nan 0.000 0.445 13 I N 3.453 123.948 120.570 -0.126 0.000 2.662 13 I HA -0.114 4.061 4.170 0.009 0.000 0.285 13 I C 1.525 177.607 176.117 -0.059 0.000 1.161 13 I CA 0.251 61.506 61.300 -0.074 0.000 1.415 13 I CB 0.761 38.733 38.000 -0.047 0.000 1.385 13 I HN 0.577 nan 8.210 nan 0.000 0.552 14 V N 3.174 123.062 119.914 -0.044 0.000 3.570 14 V HA 0.565 4.690 4.120 0.009 0.000 0.257 14 V C 0.603 176.686 176.094 -0.018 0.000 1.272 14 V CA 0.409 62.690 62.300 -0.032 0.000 1.079 14 V CB 0.251 32.057 31.823 -0.029 0.000 0.829 14 V HN 0.721 nan 8.190 nan 0.000 0.454 15 A N -0.003 122.810 122.820 -0.012 0.000 2.465 15 A HA 0.770 5.095 4.320 0.009 0.000 0.292 15 A C -1.226 176.356 177.584 -0.002 0.000 1.041 15 A CA -0.327 51.706 52.037 -0.006 0.000 0.718 15 A CB 2.041 21.040 19.000 -0.001 0.000 1.266 15 A HN 0.387 nan 8.150 nan 0.000 0.403 16 V N 3.847 123.759 119.914 -0.003 0.000 2.376 16 V HA 0.485 4.610 4.120 0.009 0.000 0.287 16 V C -0.614 175.480 176.094 -0.000 0.000 1.015 16 V CA -0.088 62.211 62.300 -0.001 0.000 0.834 16 V CB 1.132 32.953 31.823 -0.003 0.000 1.001 16 V HN 0.719 nan 8.190 nan 0.000 0.428 17 I N 4.832 125.403 120.570 0.002 0.000 2.493 17 I HA 0.593 4.769 4.170 0.009 0.000 0.279 17 I C 1.050 177.168 176.117 0.001 0.000 1.045 17 I CA -0.156 61.144 61.300 0.001 0.000 1.106 17 I CB 1.312 39.313 38.000 0.001 0.000 1.216 17 I HN 0.801 nan 8.210 nan 0.000 0.459 18 G N 4.654 113.454 108.800 0.000 0.000 2.614 18 G HA2 -0.355 3.611 3.960 0.009 0.000 0.303 18 G HA3 -0.355 3.611 3.960 0.009 0.000 0.303 18 G C 0.826 175.727 174.900 0.002 0.000 1.270 18 G CA 0.440 45.541 45.100 0.000 0.000 0.988 18 G HN 0.872 nan 8.290 nan 0.000 0.551 19 A N -0.764 122.057 122.820 0.002 0.000 2.261 19 A HA 0.547 4.873 4.320 0.009 0.000 0.208 19 A C 0.772 178.361 177.584 0.008 0.000 1.223 19 A CA 1.349 53.389 52.037 0.005 0.000 0.833 19 A CB -0.164 18.838 19.000 0.003 0.000 0.830 19 A HN 1.378 nan 8.150 nan 0.000 0.483 20 V N 0.709 120.628 119.914 0.007 0.000 2.398 20 V HA 0.411 4.537 4.120 0.009 0.000 0.286 20 V C -0.520 175.582 176.094 0.013 0.000 1.026 20 V CA -0.432 61.875 62.300 0.011 0.000 0.868 20 V CB 1.524 33.352 31.823 0.009 0.000 0.982 20 V HN 0.091 nan 8.190 nan 0.000 0.443 21 V N 3.836 123.762 119.914 0.020 0.000 2.531 21 V HA 0.505 4.631 4.120 0.009 0.000 0.301 21 V C -0.910 175.201 176.094 0.030 0.000 1.034 21 V CA -0.800 61.512 62.300 0.020 0.000 0.865 21 V CB 2.138 33.973 31.823 0.020 0.000 0.995 21 V HN 0.794 nan 8.190 nan 0.000 0.424 22 D N 3.342 123.755 120.400 0.022 0.000 2.233 22 D HA 0.585 5.230 4.640 0.009 0.000 0.240 22 D C -0.530 175.782 176.300 0.020 0.000 1.074 22 D CA -0.076 53.942 54.000 0.030 0.000 0.838 22 D CB 2.349 43.161 40.800 0.021 0.000 1.124 22 D HN 0.286 nan 8.370 nan 0.000 0.475 23 V N 1.877 121.820 119.914 0.048 0.000 2.680 23 V HA 0.366 4.491 4.120 0.009 0.000 0.309 23 V C -0.063 176.038 176.094 0.012 0.000 1.052 23 V CA -0.936 61.363 62.300 -0.002 0.000 0.908 23 V CB 2.105 33.948 31.823 0.034 0.000 1.001 23 V HN 0.386 nan 8.190 nan 0.000 0.431 24 Q N 2.253 121.981 119.800 -0.120 0.000 2.307 24 Q HA 0.610 4.955 4.340 0.009 0.000 0.262 24 Q C -1.936 173.939 176.000 -0.207 0.000 0.961 24 Q CA -0.482 55.282 55.803 -0.065 0.000 0.882 24 Q CB 1.453 30.155 28.738 -0.060 0.000 1.264 24 Q HN 0.659 nan 8.270 nan 0.000 0.446 25 F N 2.320 122.241 119.950 -0.048 0.000 2.444 25 F HA 0.233 4.763 4.527 0.004 0.000 0.342 25 F C 0.780 176.556 175.800 -0.040 0.000 1.121 25 F CA -0.660 57.315 58.000 -0.043 0.000 0.997 25 F CB 1.619 40.588 39.000 -0.051 0.000 1.130 25 F HN 0.624 nan 8.300 nan 0.000 0.454 26 D N 1.221 121.683 120.400 0.103 0.000 2.183 26 D HA -0.076 4.569 4.640 0.009 0.000 0.203 26 D C 1.264 177.602 176.300 0.063 0.000 0.969 26 D CA 1.339 55.372 54.000 0.054 0.000 0.842 26 D CB 0.443 41.255 40.800 0.019 0.000 0.957 26 D HN 0.511 nan 8.370 nan 0.000 0.484 27 E N 0.074 120.329 120.200 0.091 0.000 3.770 27 E HA 0.294 4.650 4.350 0.009 0.000 0.331 27 E C 0.879 177.502 176.600 0.038 0.000 0.714 27 E CA -0.215 56.218 56.400 0.056 0.000 1.547 27 E CB -0.867 28.861 29.700 0.048 0.000 2.420 27 E HN -0.010 nan 8.360 nan 0.000 0.501 28 G N 1.719 110.530 108.800 0.018 0.000 2.378 28 G HA2 0.390 4.355 3.960 0.009 0.000 0.255 28 G HA3 0.390 4.355 3.960 0.009 0.000 0.255 28 G C -0.167 174.662 174.900 -0.118 0.000 1.270 28 G CA -0.235 44.845 45.100 -0.034 0.000 0.876 28 G HN 0.021 nan 8.290 nan 0.000 0.521 29 L N 4.250 125.378 121.223 -0.158 0.000 2.312 29 L HA 0.315 4.660 4.340 0.009 0.000 0.281 29 L C -1.591 175.102 176.870 -0.295 0.000 1.070 29 L CA -1.776 52.876 54.840 -0.313 0.000 0.805 29 L CB 1.983 43.850 42.059 -0.320 0.000 1.174 29 L HN 0.397 nan 8.230 nan 0.000 0.434 30 P HA 0.184 nan 4.420 nan 0.000 0.276 30 P C -2.565 174.740 177.300 0.008 0.000 1.253 30 P CA -1.315 61.627 63.100 -0.263 0.000 0.766 30 P CB 0.305 31.766 31.700 -0.399 0.000 0.845 31 P HA 0.061 nan 4.420 nan 0.000 0.269 31 P C 0.688 177.963 177.300 -0.042 0.000 1.217 31 P CA -0.027 63.081 63.100 0.013 0.000 0.783 31 P CB 0.713 32.388 31.700 -0.042 0.000 0.898 32 I N 1.906 122.359 120.570 -0.194 0.000 2.948 32 I HA -0.213 3.962 4.170 0.009 0.000 0.303 32 I C 1.697 177.738 176.117 -0.127 0.000 1.224 32 I CA 0.817 62.016 61.300 -0.168 0.000 1.442 32 I CB -0.356 37.504 38.000 -0.233 0.000 1.328 32 I HN 0.447 nan 8.210 nan 0.000 0.578 33 L N 1.347 122.502 121.223 -0.114 0.000 4.610 33 L HA -0.264 4.081 4.340 0.009 0.000 0.397 33 L C 0.330 177.191 176.870 -0.015 0.000 0.806 33 L CA 0.187 54.944 54.840 -0.137 0.000 2.169 33 L CB -1.563 40.310 42.059 -0.310 0.000 1.402 33 L HN 0.706 nan 8.230 nan 0.000 0.603 34 N N 1.033 119.726 118.700 -0.012 0.000 2.453 34 N HA 0.464 5.210 4.740 0.009 0.000 0.253 34 N C 0.237 175.768 175.510 0.034 0.000 1.252 34 N CA 0.943 53.999 53.050 0.010 0.000 0.917 34 N CB 0.823 39.297 38.487 -0.021 0.000 1.117 34 N HN 0.313 nan 8.380 nan 0.000 0.442 35 A N 2.296 125.140 122.820 0.041 0.000 2.274 35 A HA 0.554 4.880 4.320 0.009 0.000 0.309 35 A C -0.478 177.136 177.584 0.050 0.000 1.226 35 A CA -0.593 51.475 52.037 0.051 0.000 0.853 35 A CB 0.161 19.192 19.000 0.050 0.000 1.146 35 A HN 0.599 nan 8.150 nan 0.000 0.518 36 L N 2.496 123.760 121.223 0.068 0.000 2.307 36 L HA 0.423 4.768 4.340 0.009 0.000 0.284 36 L C -0.284 176.630 176.870 0.073 0.000 1.023 36 L CA -0.663 54.234 54.840 0.096 0.000 0.810 36 L CB 1.664 43.812 42.059 0.148 0.000 1.231 36 L HN 0.631 nan 8.230 nan 0.000 0.423 37 E N 3.475 123.716 120.200 0.068 0.000 2.081 37 E HA 0.246 4.601 4.350 0.009 0.000 0.276 37 E C -0.649 175.974 176.600 0.038 0.000 0.950 37 E CA -0.484 55.942 56.400 0.043 0.000 0.776 37 E CB 2.162 31.879 29.700 0.029 0.000 1.094 37 E HN 0.206 nan 8.360 nan 0.000 0.402 38 V N 4.289 124.220 119.914 0.028 0.000 2.555 38 V HA -0.005 4.121 4.120 0.009 0.000 0.286 38 V C 0.711 176.808 176.094 0.005 0.000 1.044 38 V CA -0.410 61.898 62.300 0.013 0.000 1.026 38 V CB 0.875 32.704 31.823 0.010 0.000 0.981 38 V HN 0.476 nan 8.190 nan 0.000 0.480 39 Q N 2.352 122.150 119.800 -0.003 0.000 2.317 39 Q HA 0.436 4.781 4.340 0.009 0.000 0.229 39 Q C 1.220 177.216 176.000 -0.007 0.000 0.984 39 Q CA 0.415 56.215 55.803 -0.005 0.000 0.911 39 Q CB 0.858 29.589 28.738 -0.011 0.000 1.217 39 Q HN 1.153 nan 8.270 nan 0.000 0.501 40 G N 1.077 109.873 108.800 -0.006 0.000 2.176 40 G HA2 -0.284 3.682 3.960 0.009 0.000 0.252 40 G HA3 -0.284 3.682 3.960 0.009 0.000 0.252 40 G C -0.085 174.812 174.900 -0.004 0.000 1.024 40 G CA 0.311 45.408 45.100 -0.006 0.000 0.755 40 G HN 0.371 nan 8.290 nan 0.000 0.507 41 R N -0.759 119.741 120.500 -0.001 0.000 2.740 41 R HA 0.424 4.769 4.340 0.009 0.000 0.282 41 R C 0.824 177.125 176.300 0.003 0.000 0.969 41 R CA -0.929 55.171 56.100 0.001 0.000 0.918 41 R CB 1.054 31.356 30.300 0.003 0.000 1.175 41 R HN 0.093 nan 8.270 nan 0.000 0.464 42 E N 0.495 120.697 120.200 0.004 0.000 2.106 42 E HA -0.080 4.275 4.350 0.009 0.000 0.192 42 E C 0.910 177.514 176.600 0.006 0.000 0.984 42 E CA 1.368 57.771 56.400 0.005 0.000 0.806 42 E CB 0.007 29.710 29.700 0.005 0.000 0.750 42 E HN 0.692 nan 8.360 nan 0.000 0.458 43 T N -1.553 113.006 114.554 0.008 0.000 2.940 43 T HA 0.544 4.900 4.350 0.009 0.000 0.288 43 T C 0.091 174.797 174.700 0.010 0.000 1.045 43 T CA -0.997 61.108 62.100 0.010 0.000 1.018 43 T CB 1.906 70.781 68.868 0.012 0.000 1.151 43 T HN -0.187 nan 8.240 nan 0.000 0.529 44 R N 0.665 121.173 120.500 0.012 0.000 2.421 44 R HA 0.337 4.683 4.340 0.009 0.000 0.305 44 R C -0.898 175.412 176.300 0.017 0.000 1.039 44 R CA -0.607 55.502 56.100 0.014 0.000 1.003 44 R CB 0.042 30.351 30.300 0.015 0.000 0.959 44 R HN 0.409 nan 8.270 nan 0.000 0.427 45 L N 5.189 126.422 121.223 0.017 0.000 2.313 45 L HA 0.258 4.604 4.340 0.009 0.000 0.273 45 L C -0.888 175.998 176.870 0.026 0.000 1.028 45 L CA -0.556 54.296 54.840 0.020 0.000 0.871 45 L CB 1.595 43.664 42.059 0.016 0.000 1.242 45 L HN 0.272 nan 8.230 nan 0.000 0.434 46 V N 6.116 126.048 119.914 0.030 0.000 2.465 46 V HA 0.366 4.492 4.120 0.009 0.000 0.279 46 V C 0.189 176.308 176.094 0.043 0.000 1.045 46 V CA -0.456 61.867 62.300 0.037 0.000 0.938 46 V CB 1.350 33.196 31.823 0.037 0.000 0.986 46 V HN 0.515 nan 8.190 nan 0.000 0.467 47 L N 4.432 125.687 121.223 0.053 0.000 2.298 47 L HA 0.518 4.863 4.340 0.009 0.000 0.284 47 L C 0.235 177.144 176.870 0.065 0.000 1.013 47 L CA -0.266 54.609 54.840 0.058 0.000 0.824 47 L CB 1.591 43.690 42.059 0.068 0.000 1.221 47 L HN 0.653 nan 8.230 nan 0.000 0.418 48 E N 2.888 123.125 120.200 0.061 0.000 2.180 48 E HA 0.207 4.563 4.350 0.009 0.000 0.283 48 E C -0.658 175.973 176.600 0.051 0.000 1.061 48 E CA -0.684 55.754 56.400 0.064 0.000 0.861 48 E CB 1.343 31.092 29.700 0.081 0.000 1.056 48 E HN 0.324 nan 8.360 nan 0.000 0.407 49 V N 4.594 124.536 119.914 0.046 0.000 2.509 49 V HA -0.055 4.071 4.120 0.009 0.000 0.297 49 V C 0.988 177.090 176.094 0.013 0.000 1.014 49 V CA 1.108 63.437 62.300 0.048 0.000 1.127 49 V CB 0.661 32.516 31.823 0.054 0.000 0.925 49 V HN 0.874 nan 8.190 nan 0.000 0.480 50 A N 4.481 127.315 122.820 0.024 0.000 2.013 50 A HA 0.307 4.633 4.320 0.009 0.000 0.204 50 A C 0.757 178.335 177.584 -0.009 0.000 1.262 50 A CA 0.273 52.307 52.037 -0.004 0.000 0.800 50 A CB 0.356 19.359 19.000 0.006 0.000 0.909 50 A HN 0.756 nan 8.150 nan 0.000 0.472 51 Q N -1.250 118.576 119.800 0.042 0.000 2.501 51 Q HA 0.401 4.747 4.340 0.009 0.000 0.288 51 Q C -1.694 174.438 176.000 0.220 0.000 1.051 51 Q CA -0.595 55.243 55.803 0.059 0.000 0.788 51 Q CB 1.921 30.687 28.738 0.047 0.000 1.469 51 Q HN 0.619 nan 8.270 nan 0.000 0.416 52 H N 1.650 120.716 119.070 -0.008 0.000 2.638 52 H HA 0.261 4.818 4.556 0.001 0.000 0.303 52 H C 0.518 175.848 175.328 0.004 0.000 1.034 52 H CA -0.276 55.771 56.048 -0.002 0.000 1.225 52 H CB 0.973 30.728 29.762 -0.012 0.000 1.394 52 H HN 0.420 nan 8.280 nan 0.000 0.477 53 L N 2.737 124.019 121.223 0.098 0.000 2.465 53 L HA 0.092 4.437 4.340 0.009 0.000 0.224 53 L C 1.201 178.094 176.870 0.038 0.000 1.145 53 L CA 0.624 55.497 54.840 0.055 0.000 0.834 53 L CB -0.178 41.904 42.059 0.038 0.000 0.944 53 L HN 0.877 nan 8.230 nan 0.000 0.451 54 G N 0.255 109.074 108.800 0.031 0.000 2.730 54 G HA2 -0.201 3.764 3.960 0.009 0.000 0.686 54 G HA3 -0.201 3.764 3.960 0.009 0.000 0.686 54 G C 0.086 174.987 174.900 0.002 0.000 1.343 54 G CA -0.316 44.793 45.100 0.015 0.000 0.826 54 G HN 0.379 nan 8.290 nan 0.000 0.582 55 E N -0.919 119.280 120.200 -0.001 0.000 2.637 55 E HA -0.227 4.128 4.350 0.009 0.000 0.265 55 E C 1.110 177.706 176.600 -0.005 0.000 1.073 55 E CA 1.227 57.625 56.400 -0.002 0.000 0.778 55 E CB -1.641 28.060 29.700 0.001 0.000 1.362 55 E HN 2.115 nan 8.360 nan 0.000 0.413 56 S N -2.777 112.912 115.700 -0.020 0.000 3.361 56 S HA -0.194 4.282 4.470 0.009 0.000 0.288 56 S C 0.205 174.809 174.600 0.006 0.000 1.269 56 S CA 1.426 59.616 58.200 -0.017 0.000 0.976 56 S CB -1.099 62.110 63.200 0.014 0.000 1.162 56 S HN 0.412 nan 8.310 nan 0.000 0.643 57 T N 2.202 116.751 114.554 -0.009 0.000 2.797 57 T HA 0.607 4.963 4.350 0.009 0.000 0.279 57 T C 0.340 175.049 174.700 0.014 0.000 0.991 57 T CA -0.231 61.884 62.100 0.024 0.000 0.979 57 T CB 1.686 70.565 68.868 0.019 0.000 0.943 57 T HN 0.553 nan 8.240 nan 0.000 0.444 58 V N 1.898 121.853 119.914 0.069 0.000 2.612 58 V HA 0.733 4.858 4.120 0.009 0.000 0.301 58 V C -0.083 176.070 176.094 0.097 0.000 1.046 58 V CA -1.339 61.016 62.300 0.091 0.000 0.946 58 V CB 1.437 33.332 31.823 0.121 0.000 1.003 58 V HN 0.832 nan 8.190 nan 0.000 0.459 59 R N 2.414 122.971 120.500 0.095 0.000 2.294 59 R HA 0.688 5.033 4.340 0.009 0.000 0.319 59 R C -0.102 176.239 176.300 0.068 0.000 0.984 59 R CA 0.275 56.416 56.100 0.068 0.000 0.861 59 R CB 1.368 31.698 30.300 0.051 0.000 1.104 59 R HN 1.158 nan 8.270 nan 0.000 0.451 60 T N 2.297 116.886 114.554 0.059 0.000 2.908 60 T HA 0.542 4.897 4.350 0.009 0.000 0.290 60 T C 0.125 174.848 174.700 0.038 0.000 1.034 60 T CA -1.032 61.101 62.100 0.055 0.000 1.010 60 T CB 1.081 69.991 68.868 0.070 0.000 1.068 60 T HN 0.584 nan 8.240 nan 0.000 0.481 61 I N 0.348 120.939 120.570 0.035 0.000 2.378 61 I HA 0.799 4.975 4.170 0.009 0.000 0.291 61 I C 0.262 176.397 176.117 0.030 0.000 0.992 61 I CA -1.412 59.904 61.300 0.026 0.000 1.154 61 I CB 1.157 39.167 38.000 0.018 0.000 1.315 61 I HN 0.860 nan 8.210 nan 0.000 0.448 62 A N 6.952 129.787 122.820 0.024 0.000 2.425 62 A HA 0.436 4.761 4.320 0.009 0.000 0.249 62 A C 0.874 178.472 177.584 0.024 0.000 1.084 62 A CA -0.426 51.626 52.037 0.025 0.000 0.781 62 A CB 0.540 19.552 19.000 0.019 0.000 1.019 62 A HN 0.883 nan 8.150 nan 0.000 0.490 63 M N 0.690 120.307 119.600 0.027 0.000 2.502 63 M HA 0.163 4.648 4.480 0.009 0.000 0.243 63 M C 0.144 176.458 176.300 0.023 0.000 1.130 63 M CA 0.748 56.064 55.300 0.027 0.000 1.055 63 M CB -0.823 31.796 32.600 0.032 0.000 1.457 63 M HN 0.767 nan 8.290 nan 0.000 0.488 64 D N -1.115 119.297 120.400 0.020 0.000 2.664 64 D HA 0.421 5.066 4.640 0.009 0.000 0.292 64 D C -0.458 175.851 176.300 0.014 0.000 1.214 64 D CA -0.211 53.799 54.000 0.017 0.000 0.932 64 D CB 1.938 42.748 40.800 0.018 0.000 1.420 64 D HN 0.133 nan 8.370 nan 0.000 0.471 65 G N -0.861 107.946 108.800 0.012 0.000 2.562 65 G HA2 0.230 4.195 3.960 0.009 0.000 0.233 65 G HA3 0.230 4.195 3.960 0.009 0.000 0.233 65 G C 0.812 175.717 174.900 0.009 0.000 1.266 65 G CA 0.739 45.845 45.100 0.009 0.000 0.852 65 G HN 0.412 nan 8.290 nan 0.000 0.581 66 T N -1.822 112.736 114.554 0.007 0.000 3.044 66 T HA 0.165 4.521 4.350 0.009 0.000 0.260 66 T C 0.746 175.448 174.700 0.003 0.000 1.019 66 T CA 0.141 62.244 62.100 0.006 0.000 0.921 66 T CB 0.034 68.905 68.868 0.005 0.000 1.053 66 T HN 0.700 nan 8.240 nan 0.000 0.533 67 E N 2.107 122.309 120.200 0.003 0.000 2.765 67 E HA 0.186 4.542 4.350 0.009 0.000 0.256 67 E C 1.182 177.783 176.600 0.001 0.000 0.935 67 E CA 1.063 57.464 56.400 0.002 0.000 0.954 67 E CB -0.265 29.436 29.700 0.003 0.000 0.908 67 E HN 0.559 nan 8.360 nan 0.000 0.500 68 G N 2.975 111.775 108.800 -0.000 0.000 2.254 68 G HA2 -0.274 3.692 3.960 0.009 0.000 0.225 68 G HA3 -0.274 3.692 3.960 0.009 0.000 0.225 68 G C 0.392 175.290 174.900 -0.004 0.000 1.003 68 G CA 0.002 45.100 45.100 -0.002 0.000 0.622 68 G HN 0.502 nan 8.290 nan 0.000 0.507 69 L N 1.380 122.600 121.223 -0.004 0.000 2.525 69 L HA 0.379 4.724 4.340 0.009 0.000 0.278 69 L C 0.637 177.501 176.870 -0.010 0.000 1.218 69 L CA 0.114 54.950 54.840 -0.007 0.000 0.878 69 L CB 0.923 42.979 42.059 -0.005 0.000 1.127 69 L HN 0.060 nan 8.230 nan 0.000 0.492 70 V N 3.997 123.903 119.914 -0.014 0.000 2.628 70 V HA 0.345 4.470 4.120 0.009 0.000 0.306 70 V C 0.211 176.291 176.094 -0.022 0.000 1.045 70 V CA -0.931 61.359 62.300 -0.016 0.000 0.905 70 V CB 1.912 33.725 31.823 -0.016 0.000 0.997 70 V HN 0.658 nan 8.190 nan 0.000 0.436 71 R N 2.615 123.102 120.500 -0.022 0.000 2.446 71 R HA 0.406 4.751 4.340 0.009 0.000 0.325 71 R C 1.165 177.445 176.300 -0.034 0.000 0.997 71 R CA 0.969 57.053 56.100 -0.027 0.000 1.010 71 R CB -0.069 30.218 30.300 -0.023 0.000 0.946 71 R HN 1.181 nan 8.270 nan 0.000 0.422 72 G N 2.189 110.961 108.800 -0.047 0.000 2.211 72 G HA2 -0.261 3.705 3.960 0.009 0.000 0.201 72 G HA3 -0.261 3.705 3.960 0.009 0.000 0.201 72 G C 0.112 174.976 174.900 -0.060 0.000 0.997 72 G CA -0.512 44.555 45.100 -0.055 0.000 0.652 72 G HN 0.563 nan 8.290 nan 0.000 0.500 73 Q N 1.636 121.405 119.800 -0.053 0.000 2.271 73 Q HA 0.400 4.745 4.340 0.009 0.000 0.273 73 Q C 0.497 176.457 176.000 -0.067 0.000 1.051 73 Q CA -0.008 55.766 55.803 -0.049 0.000 0.901 73 Q CB 0.311 29.028 28.738 -0.034 0.000 1.174 73 Q HN 0.418 nan 8.270 nan 0.000 0.385 74 K N 1.833 122.194 120.400 -0.065 0.000 2.436 74 K HA 0.147 4.472 4.320 0.009 0.000 0.275 74 K C -0.898 175.657 176.600 -0.074 0.000 0.999 74 K CA -0.031 56.207 56.287 -0.083 0.000 0.980 74 K CB 0.752 33.217 32.500 -0.058 0.000 0.919 74 K HN 0.325 nan 8.250 nan 0.000 0.484 75 V N 4.203 124.052 119.914 -0.110 0.000 2.524 75 V HA 0.166 4.292 4.120 0.009 0.000 0.297 75 V C -0.568 175.545 176.094 0.033 0.000 1.035 75 V CA -0.874 61.398 62.300 -0.046 0.000 0.867 75 V CB 1.664 33.449 31.823 -0.064 0.000 1.004 75 V HN 0.624 nan 8.190 nan 0.000 0.426 76 L N 4.022 125.296 121.223 0.086 0.000 2.260 76 L HA 0.515 4.860 4.340 0.009 0.000 0.289 76 L C -0.121 176.852 176.870 0.172 0.000 1.057 76 L CA -0.119 54.798 54.840 0.128 0.000 0.811 76 L CB 1.361 43.458 42.059 0.063 0.000 1.184 76 L HN 0.784 nan 8.230 nan 0.000 0.429 77 D N 2.672 123.213 120.400 0.235 0.000 2.382 77 D HA -0.036 4.610 4.640 0.009 0.000 0.259 77 D C 1.287 177.611 176.300 0.040 0.000 1.224 77 D CA 0.230 54.286 54.000 0.094 0.000 0.894 77 D CB 1.277 42.043 40.800 -0.057 0.000 1.127 77 D HN 0.595 nan 8.370 nan 0.000 0.487 78 S N 2.844 118.558 115.700 0.023 0.000 2.515 78 S HA 0.083 4.559 4.470 0.009 0.000 0.231 78 S C 1.803 176.397 174.600 -0.011 0.000 0.987 78 S CA 0.576 58.778 58.200 0.004 0.000 0.936 78 S CB -0.270 62.931 63.200 0.001 0.000 0.766 78 S HN 0.963 nan 8.310 nan 0.000 0.528 79 G N 0.275 109.063 108.800 -0.019 0.000 2.199 79 G HA2 0.002 3.967 3.960 0.009 0.000 0.254 79 G HA3 0.002 3.967 3.960 0.009 0.000 0.254 79 G C 0.169 175.059 174.900 -0.018 0.000 0.982 79 G CA -0.040 45.044 45.100 -0.026 0.000 0.632 79 G HN 1.505 nan 8.290 nan 0.000 0.529 80 A N -0.552 122.263 122.820 -0.007 0.000 2.564 80 A HA 0.972 5.297 4.320 0.009 0.000 0.288 80 A C -2.747 174.852 177.584 0.026 0.000 1.164 80 A CA -0.876 51.166 52.037 0.008 0.000 0.712 80 A CB 1.323 20.329 19.000 0.010 0.000 1.303 80 A HN 0.083 nan 8.150 nan 0.000 0.418 81 P HA 0.307 nan 4.420 nan 0.000 0.282 81 P C -0.438 176.912 177.300 0.083 0.000 1.286 81 P CA -0.360 62.800 63.100 0.100 0.000 0.777 81 P CB 0.227 32.031 31.700 0.174 0.000 1.184 82 I N 0.876 121.503 120.570 0.096 0.000 2.581 82 I HA -0.008 4.168 4.170 0.009 0.000 0.285 82 I C 1.106 177.250 176.117 0.045 0.000 1.129 82 I CA 0.530 61.863 61.300 0.055 0.000 1.397 82 I CB -0.185 37.837 38.000 0.038 0.000 1.399 82 I HN 0.028 nan 8.210 nan 0.000 0.537 83 R N 7.674 128.207 120.500 0.056 0.000 2.294 83 R HA 0.593 4.938 4.340 0.009 0.000 0.319 83 R C -0.634 175.761 176.300 0.158 0.000 0.984 83 R CA -0.791 55.366 56.100 0.096 0.000 0.861 83 R CB 1.541 31.895 30.300 0.089 0.000 1.104 83 R HN 0.542 nan 8.270 nan 0.000 0.451 84 I N -0.435 120.229 120.570 0.156 0.000 2.740 84 I HA 0.571 4.746 4.170 0.009 0.000 0.303 84 I C -2.702 173.431 176.117 0.027 0.000 1.044 84 I CA -3.312 58.063 61.300 0.124 0.000 1.064 84 I CB 1.937 39.952 38.000 0.024 0.000 1.249 84 I HN 0.296 nan 8.210 nan 0.000 0.433 85 P HA 0.314 nan 4.420 nan 0.000 0.276 85 P C -0.838 176.214 177.300 -0.413 0.000 1.230 85 P CA -0.229 62.520 63.100 -0.585 0.000 0.776 85 P CB 0.993 32.391 31.700 -0.502 0.000 0.888 86 V N -0.008 119.599 119.914 -0.512 0.000 3.078 86 V HA 1.028 5.153 4.120 0.009 0.000 0.311 86 V C -0.053 175.511 176.094 -0.884 0.000 1.138 86 V CA -0.275 61.698 62.300 -0.545 0.000 1.007 86 V CB 1.490 33.081 31.823 -0.386 0.000 1.045 86 V HN 0.942 nan 8.190 nan 0.000 0.432 87 G N 2.261 110.270 108.800 -1.318 0.000 2.371 87 G HA2 0.133 4.098 3.960 0.009 0.000 0.663 87 G HA3 0.133 4.098 3.960 0.009 0.000 0.663 87 G C -2.803 171.701 174.900 -0.660 0.000 1.311 87 G CA -0.044 44.181 45.100 -1.458 0.000 0.985 87 G HN 0.669 nan 8.290 nan 0.000 0.566 88 P HA 0.082 nan 4.420 nan 0.000 0.222 88 P C 1.194 178.436 177.300 -0.097 0.000 1.147 88 P CA 1.318 64.401 63.100 -0.028 0.000 0.790 88 P CB 0.094 31.821 31.700 0.045 0.000 0.780 89 E N -1.263 118.844 120.200 -0.155 0.000 2.516 89 E HA -0.070 4.286 4.350 0.009 0.000 0.199 89 E C 1.596 178.115 176.600 -0.135 0.000 1.069 89 E CA 1.098 57.417 56.400 -0.134 0.000 0.876 89 E CB -1.093 28.521 29.700 -0.144 0.000 0.843 89 E HN 0.396 nan 8.360 nan 0.000 0.530 90 T N -2.063 112.408 114.554 -0.139 0.000 3.067 90 T HA 0.119 4.474 4.350 0.009 0.000 0.257 90 T C 0.747 175.401 174.700 -0.076 0.000 1.105 90 T CA -0.191 61.841 62.100 -0.113 0.000 1.104 90 T CB -0.114 68.686 68.868 -0.113 0.000 0.925 90 T HN -0.029 nan 8.240 nan 0.000 0.498 91 L N 2.096 123.272 121.223 -0.078 0.000 2.418 91 L HA 0.509 4.855 4.340 0.009 0.000 0.274 91 L C 1.614 178.428 176.870 -0.093 0.000 1.135 91 L CA 0.783 55.557 54.840 -0.111 0.000 0.870 91 L CB 0.296 42.210 42.059 -0.242 0.000 1.154 91 L HN 0.507 nan 8.230 nan 0.000 0.462 92 G N 1.758 110.516 108.800 -0.070 0.000 2.195 92 G HA2 -0.201 3.764 3.960 0.009 0.000 0.246 92 G HA3 -0.201 3.764 3.960 0.009 0.000 0.246 92 G C 0.368 175.227 174.900 -0.068 0.000 0.984 92 G CA -0.562 44.515 45.100 -0.039 0.000 0.633 92 G HN 0.440 nan 8.290 nan 0.000 0.525 93 R N 0.226 120.658 120.500 -0.113 0.000 2.500 93 R HA 0.681 5.027 4.340 0.009 0.000 0.275 93 R C 0.286 176.428 176.300 -0.263 0.000 1.051 93 R CA -0.676 55.323 56.100 -0.169 0.000 1.088 93 R CB 0.625 30.846 30.300 -0.132 0.000 1.063 93 R HN 0.359 nan 8.270 nan 0.000 0.511 94 I N 3.674 124.027 120.570 -0.362 0.000 2.355 94 I HA 0.333 4.508 4.170 0.009 0.000 0.288 94 I C 0.656 176.613 176.117 -0.265 0.000 0.999 94 I CA -0.566 60.472 61.300 -0.436 0.000 1.163 94 I CB 1.194 38.788 38.000 -0.678 0.000 1.316 94 I HN 0.398 nan 8.210 nan 0.000 0.454 95 M N 4.537 124.024 119.600 -0.188 0.000 2.654 95 M HA 0.599 5.084 4.480 0.009 0.000 0.310 95 M C -0.636 175.633 176.300 -0.051 0.000 1.211 95 M CA -0.619 54.621 55.300 -0.101 0.000 0.947 95 M CB 1.686 34.243 32.600 -0.072 0.000 1.647 95 M HN 0.508 nan 8.290 nan 0.000 0.481 96 N N 0.714 119.407 118.700 -0.013 0.000 2.566 96 N HA 0.195 4.941 4.740 0.009 0.000 0.299 96 N C 0.411 175.935 175.510 0.023 0.000 1.277 96 N CA -0.795 52.270 53.050 0.026 0.000 0.965 96 N CB 0.329 38.836 38.487 0.032 0.000 1.142 96 N HN 0.608 nan 8.380 nan 0.000 0.596 97 V N -0.426 119.508 119.914 0.032 0.000 2.490 97 V HA -0.095 4.031 4.120 0.009 0.000 0.250 97 V C 1.602 177.705 176.094 0.016 0.000 1.061 97 V CA 1.710 64.023 62.300 0.023 0.000 1.064 97 V CB -0.856 30.983 31.823 0.027 0.000 0.670 97 V HN 0.666 nan 8.190 nan 0.000 0.461 98 I N -2.523 118.061 120.570 0.022 0.000 3.861 98 I HA 0.488 4.664 4.170 0.009 0.000 0.329 98 I C 1.311 177.449 176.117 0.036 0.000 1.321 98 I CA 0.704 62.021 61.300 0.028 0.000 1.126 98 I CB -0.279 37.739 38.000 0.030 0.000 1.018 98 I HN 0.323 nan 8.210 nan 0.000 0.407 99 G N 1.173 109.988 108.800 0.025 0.000 2.175 99 G HA2 -0.241 3.724 3.960 0.009 0.000 0.244 99 G HA3 -0.241 3.724 3.960 0.009 0.000 0.244 99 G C -0.100 174.813 174.900 0.021 0.000 0.982 99 G CA -0.009 45.106 45.100 0.025 0.000 0.641 99 G HN 0.640 nan 8.290 nan 0.000 0.527 100 E N 1.896 122.107 120.200 0.018 0.000 2.366 100 E HA 0.368 4.724 4.350 0.009 0.000 0.266 100 E C -2.226 174.363 176.600 -0.018 0.000 1.051 100 E CA -1.551 54.855 56.400 0.010 0.000 0.884 100 E CB 1.071 30.779 29.700 0.013 0.000 1.006 100 E HN 0.233 nan 8.360 nan 0.000 0.417 101 P HA 0.052 nan 4.420 nan 0.000 0.280 101 P C 0.078 177.347 177.300 -0.051 0.000 1.244 101 P CA 0.233 63.299 63.100 -0.057 0.000 0.784 101 P CB 0.390 32.059 31.700 -0.053 0.000 0.913 102 I N -0.492 120.029 120.570 -0.081 0.000 4.050 102 I HA 0.235 4.410 4.170 0.009 0.000 0.327 102 I C 0.303 176.367 176.117 -0.088 0.000 1.473 102 I CA -0.223 61.042 61.300 -0.059 0.000 1.124 102 I CB 0.012 37.996 38.000 -0.028 0.000 1.129 102 I HN 0.037 nan 8.210 nan 0.000 0.428 103 D N 0.708 121.028 120.400 -0.134 0.000 2.349 103 D HA -0.013 4.633 4.640 0.009 0.000 0.214 103 D C 0.372 176.654 176.300 -0.030 0.000 1.063 103 D CA -0.075 53.843 54.000 -0.137 0.000 0.847 103 D CB -0.187 40.444 40.800 -0.282 0.000 0.933 103 D HN 0.480 nan 8.370 nan 0.000 0.513 104 E N -0.253 119.933 120.200 -0.022 0.000 2.320 104 E HA -0.242 4.113 4.350 0.009 0.000 0.234 104 E C 0.239 176.843 176.600 0.006 0.000 1.183 104 E CA 0.236 56.637 56.400 0.002 0.000 0.713 104 E CB -0.959 28.753 29.700 0.021 0.000 1.226 104 E HN 0.407 nan 8.360 nan 0.000 0.382 105 R N -0.328 120.168 120.500 -0.008 0.000 2.476 105 R HA 0.294 4.640 4.340 0.009 0.000 0.276 105 R C 0.791 177.085 176.300 -0.010 0.000 0.941 105 R CA 0.270 56.368 56.100 -0.004 0.000 1.088 105 R CB 1.414 31.710 30.300 -0.006 0.000 1.216 105 R HN 0.314 nan 8.270 nan 0.000 0.533 106 G N 2.105 110.898 108.800 -0.011 0.000 2.655 106 G HA2 -0.179 3.786 3.960 0.009 0.000 0.680 106 G HA3 -0.179 3.786 3.960 0.009 0.000 0.680 106 G C -2.670 172.222 174.900 -0.014 0.000 1.302 106 G CA -1.337 43.758 45.100 -0.008 0.000 0.872 106 G HN -0.070 nan 8.290 nan 0.000 0.540 107 P HA 0.296 nan 4.420 nan 0.000 0.266 107 P C 0.242 177.529 177.300 -0.022 0.000 1.193 107 P CA 0.054 63.154 63.100 -0.001 0.000 0.770 107 P CB 0.253 31.962 31.700 0.014 0.000 0.836 108 I N 2.932 123.482 120.570 -0.034 0.000 2.294 108 I HA 0.110 4.285 4.170 0.009 0.000 0.295 108 I C 0.869 176.931 176.117 -0.092 0.000 1.098 108 I CA 0.034 61.286 61.300 -0.079 0.000 1.277 108 I CB -0.092 37.839 38.000 -0.115 0.000 1.434 108 I HN 0.051 nan 8.210 nan 0.000 0.498 109 K N 6.069 126.422 120.400 -0.078 0.000 2.150 109 K HA 0.219 4.544 4.320 0.009 0.000 0.261 109 K C 0.177 176.707 176.600 -0.116 0.000 1.127 109 K CA -0.247 56.003 56.287 -0.062 0.000 0.989 109 K CB 0.275 32.756 32.500 -0.031 0.000 1.475 109 K HN 0.652 nan 8.250 nan 0.000 0.391 110 T N -1.539 112.896 114.554 -0.198 0.000 2.940 110 T HA 0.274 4.630 4.350 0.009 0.000 0.288 110 T C 0.778 175.374 174.700 -0.174 0.000 1.033 110 T CA -1.037 60.906 62.100 -0.262 0.000 1.033 110 T CB 1.562 70.152 68.868 -0.464 0.000 1.079 110 T HN 0.457 nan 8.240 nan 0.000 0.496 111 K N 0.064 120.388 120.400 -0.127 0.000 2.404 111 K HA 0.269 4.594 4.320 0.009 0.000 0.194 111 K C 0.015 176.618 176.600 0.005 0.000 1.023 111 K CA -0.136 56.137 56.287 -0.023 0.000 1.094 111 K CB 0.039 32.538 32.500 -0.002 0.000 0.841 111 K HN 0.467 nan 8.250 nan 0.000 0.523 112 Q N 0.268 120.002 119.800 -0.110 0.000 2.394 112 Q HA 0.523 4.869 4.340 0.009 0.000 0.273 112 Q C -1.305 174.554 176.000 -0.234 0.000 1.089 112 Q CA -0.641 55.135 55.803 -0.044 0.000 0.812 112 Q CB 1.704 30.435 28.738 -0.013 0.000 1.353 112 Q HN 0.015 nan 8.270 nan 0.000 0.438 113 F N 0.231 120.161 119.950 -0.033 0.000 2.579 113 F HA 0.908 5.440 4.527 0.009 0.000 0.324 113 F C -0.318 175.473 175.800 -0.016 0.000 1.058 113 F CA -0.904 57.074 58.000 -0.037 0.000 0.944 113 F CB 2.050 41.033 39.000 -0.029 0.000 1.245 113 F HN 0.582 nan 8.300 nan 0.000 0.477 114 A N 0.858 123.767 122.820 0.148 0.000 2.515 114 A HA 0.852 5.177 4.320 0.009 0.000 0.298 114 A C -1.306 176.323 177.584 0.074 0.000 1.059 114 A CA -0.721 51.369 52.037 0.088 0.000 0.698 114 A CB 1.077 20.105 19.000 0.048 0.000 1.289 114 A HN 1.032 nan 8.150 nan 0.000 0.404 115 A N 1.047 123.902 122.820 0.058 0.000 2.401 115 A HA 0.506 4.831 4.320 0.009 0.000 0.259 115 A C 1.059 178.647 177.584 0.007 0.000 1.103 115 A CA 0.106 52.170 52.037 0.045 0.000 0.789 115 A CB -0.374 18.662 19.000 0.060 0.000 1.035 115 A HN 1.641 nan 8.150 nan 0.000 0.491 116 I N -0.828 119.714 120.570 -0.046 0.000 2.928 116 I HA 0.024 4.199 4.170 0.009 0.000 0.266 116 I C 0.169 176.143 176.117 -0.239 0.000 1.234 116 I CA 0.538 61.746 61.300 -0.152 0.000 1.483 116 I CB -0.302 37.568 38.000 -0.216 0.000 1.097 116 I HN 0.494 nan 8.210 nan 0.000 0.455 117 H N 3.030 122.110 119.070 0.017 0.000 2.690 117 H HA 0.717 5.280 4.556 0.011 0.000 0.289 117 H C -0.463 174.870 175.328 0.008 0.000 1.089 117 H CA -0.306 55.749 56.048 0.012 0.000 1.299 117 H CB 1.056 30.824 29.762 0.010 0.000 1.405 117 H HN 0.407 nan 8.280 nan 0.000 0.463 118 A N 3.791 126.670 122.820 0.098 0.000 2.386 118 A HA 0.374 4.700 4.320 0.009 0.000 0.311 118 A C 0.084 177.698 177.584 0.049 0.000 1.068 118 A CA -0.835 51.237 52.037 0.059 0.000 0.743 118 A CB 1.681 20.698 19.000 0.030 0.000 1.258 118 A HN 0.662 nan 8.150 nan 0.000 0.429 119 E N 0.827 121.049 120.200 0.037 0.000 2.390 119 E HA 0.411 4.767 4.350 0.009 0.000 0.261 119 E C 0.538 177.150 176.600 0.020 0.000 1.076 119 E CA 0.023 56.441 56.400 0.029 0.000 0.905 119 E CB 0.920 30.634 29.700 0.023 0.000 0.984 119 E HN 0.822 nan 8.360 nan 0.000 0.427 120 A N 3.717 126.548 122.820 0.018 0.000 2.445 120 A HA 0.233 4.558 4.320 0.009 0.000 0.242 120 A C -2.118 175.474 177.584 0.013 0.000 1.075 120 A CA -1.204 50.839 52.037 0.011 0.000 0.777 120 A CB -0.324 18.685 19.000 0.014 0.000 1.013 120 A HN 0.362 nan 8.150 nan 0.000 0.493 121 P HA 0.010 nan 4.420 nan 0.000 0.261 121 P C -0.035 177.275 177.300 0.018 0.000 1.165 121 P CA 0.403 63.503 63.100 0.000 0.000 0.759 121 P CB 0.349 32.039 31.700 -0.018 0.000 0.772 122 E N 1.842 122.058 120.200 0.028 0.000 2.425 122 E HA -0.047 4.308 4.350 0.009 0.000 0.258 122 E C 0.935 177.585 176.600 0.085 0.000 1.151 122 E CA -0.130 56.310 56.400 0.067 0.000 0.958 122 E CB 0.083 29.822 29.700 0.065 0.000 0.968 122 E HN 0.407 nan 8.360 nan 0.000 0.451 123 F N 1.808 121.757 119.950 -0.001 0.000 2.154 123 F HA -0.264 4.269 4.527 0.009 0.000 0.301 123 F C 1.908 177.706 175.800 -0.002 0.000 1.087 123 F CA 1.993 59.993 58.000 -0.001 0.000 1.274 123 F CB -0.139 38.861 39.000 -0.000 0.000 1.009 123 F HN 0.282 nan 8.300 nan 0.000 0.485 124 V N -2.326 117.632 119.914 0.072 0.000 2.667 124 V HA -0.143 3.982 4.120 0.009 0.000 0.252 124 V C 1.560 177.603 176.094 -0.084 0.000 1.065 124 V CA 1.818 64.109 62.300 -0.015 0.000 1.083 124 V CB -1.019 30.846 31.823 0.069 0.000 0.692 124 V HN 0.376 nan 8.190 nan 0.000 0.468 125 E N 0.486 120.647 120.200 -0.064 0.000 2.502 125 E HA 0.151 4.507 4.350 0.009 0.000 0.194 125 E C 0.337 176.880 176.600 -0.094 0.000 1.062 125 E CA -0.066 56.297 56.400 -0.061 0.000 0.867 125 E CB -0.002 29.679 29.700 -0.033 0.000 0.888 125 E HN 0.496 nan 8.360 nan 0.000 0.510 126 M N 0.756 120.259 119.600 -0.162 0.000 2.233 126 M HA 0.135 4.621 4.480 0.009 0.000 0.355 126 M C 0.298 176.500 176.300 -0.164 0.000 1.191 126 M CA -0.357 54.836 55.300 -0.178 0.000 1.101 126 M CB 1.260 33.698 32.600 -0.270 0.000 1.592 126 M HN -0.196 nan 8.290 nan 0.000 0.461 127 S N 2.082 117.713 115.700 -0.115 0.000 2.481 127 S HA 0.253 4.728 4.470 0.009 0.000 0.276 127 S C 1.079 175.618 174.600 -0.100 0.000 1.247 127 S CA -0.801 57.344 58.200 -0.093 0.000 1.053 127 S CB 0.269 63.430 63.200 -0.065 0.000 0.925 127 S HN 0.558 nan 8.310 nan 0.000 0.491 128 V N 2.155 122.011 119.914 -0.098 0.000 3.510 128 V HA 0.245 4.370 4.120 0.009 0.000 0.270 128 V C 0.567 176.631 176.094 -0.049 0.000 1.201 128 V CA 0.200 62.450 62.300 -0.083 0.000 1.166 128 V CB -0.960 30.818 31.823 -0.076 0.000 0.825 128 V HN 0.770 nan 8.190 nan 0.000 0.484 129 E N 1.253 121.427 120.200 -0.043 0.000 2.248 129 E HA 0.459 4.815 4.350 0.009 0.000 0.272 129 E C -0.827 175.759 176.600 -0.023 0.000 1.008 129 E CA -0.439 55.945 56.400 -0.027 0.000 0.856 129 E CB 1.326 31.013 29.700 -0.021 0.000 1.120 129 E HN 0.538 nan 8.360 nan 0.000 0.397 130 Q N 1.600 121.392 119.800 -0.013 0.000 2.394 130 Q HA 0.299 4.644 4.340 0.009 0.000 0.259 130 Q C -0.610 175.391 176.000 0.003 0.000 1.021 130 Q CA -0.210 55.588 55.803 -0.008 0.000 0.805 130 Q CB 1.655 30.390 28.738 -0.005 0.000 1.226 130 Q HN 0.398 nan 8.270 nan 0.000 0.476 131 E N 2.239 122.440 120.200 0.001 0.000 2.202 131 E HA 0.398 4.753 4.350 0.009 0.000 0.272 131 E C -0.505 176.108 176.600 0.022 0.000 0.951 131 E CA -0.789 55.618 56.400 0.011 0.000 0.813 131 E CB 1.812 31.511 29.700 -0.001 0.000 1.151 131 E HN 0.430 nan 8.360 nan 0.000 0.398 132 I N 2.080 122.677 120.570 0.044 0.000 2.575 132 I HA 0.042 4.218 4.170 0.009 0.000 0.285 132 I C -0.156 175.977 176.117 0.027 0.000 1.085 132 I CA -0.265 61.073 61.300 0.064 0.000 1.403 132 I CB 0.298 38.361 38.000 0.105 0.000 1.409 132 I HN 0.249 nan 8.210 nan 0.000 0.557 133 L N 7.835 129.074 121.223 0.026 0.000 2.287 133 L HA 0.356 4.702 4.340 0.009 0.000 0.280 133 L C -0.317 176.544 176.870 -0.015 0.000 1.055 133 L CA -0.388 54.408 54.840 -0.072 0.000 0.863 133 L CB 0.636 42.654 42.059 -0.069 0.000 1.245 133 L HN 0.335 nan 8.230 nan 0.000 0.432 134 V N 3.662 123.611 119.914 0.059 0.000 2.557 134 V HA 0.038 4.163 4.120 0.009 0.000 0.301 134 V C 1.575 177.781 176.094 0.185 0.000 1.026 134 V CA 0.849 63.237 62.300 0.146 0.000 1.137 134 V CB 0.402 32.347 31.823 0.203 0.000 0.917 134 V HN 0.919 nan 8.190 nan 0.000 0.484 135 T N 0.206 114.772 114.554 0.021 0.000 3.037 135 T HA 0.297 4.652 4.350 0.009 0.000 0.252 135 T C 1.546 176.238 174.700 -0.013 0.000 1.073 135 T CA 0.845 62.931 62.100 -0.024 0.000 1.091 135 T CB 0.458 69.208 68.868 -0.196 0.000 0.935 135 T HN 1.580 nan 8.240 nan 0.000 0.488 136 G N 1.757 110.553 108.800 -0.006 0.000 2.225 136 G HA2 -0.211 3.754 3.960 0.009 0.000 0.254 136 G HA3 -0.211 3.754 3.960 0.009 0.000 0.254 136 G C 0.063 174.967 174.900 0.007 0.000 0.988 136 G CA 0.095 45.189 45.100 -0.009 0.000 0.625 136 G HN 0.677 nan 8.290 nan 0.000 0.527 137 I N 1.634 122.206 120.570 0.003 0.000 2.322 137 I HA 0.220 4.395 4.170 0.009 0.000 0.292 137 I C 1.681 177.816 176.117 0.031 0.000 1.060 137 I CA -0.536 60.808 61.300 0.073 0.000 1.309 137 I CB 1.105 39.164 38.000 0.098 0.000 1.415 137 I HN 0.022 nan 8.210 nan 0.000 0.492 138 K N 4.029 124.450 120.400 0.035 0.000 2.001 138 K HA -0.185 4.140 4.320 0.009 0.000 0.214 138 K C 1.857 178.444 176.600 -0.023 0.000 1.050 138 K CA 1.706 58.006 56.287 0.021 0.000 0.934 138 K CB -0.296 32.222 32.500 0.031 0.000 0.718 138 K HN 0.600 nan 8.250 nan 0.000 0.443 139 V N 0.932 120.835 119.914 -0.019 0.000 2.250 139 V HA -0.279 3.846 4.120 0.009 0.000 0.250 139 V C 2.386 178.454 176.094 -0.044 0.000 1.060 139 V CA 1.938 64.207 62.300 -0.052 0.000 1.030 139 V CB -1.044 30.780 31.823 0.002 0.000 0.643 139 V HN 0.066 nan 8.190 nan 0.000 0.445 140 V N 0.701 120.600 119.914 -0.025 0.000 2.216 140 V HA -0.272 3.853 4.120 0.009 0.000 0.243 140 V C 2.481 178.553 176.094 -0.037 0.000 1.044 140 V CA 2.517 64.784 62.300 -0.056 0.000 0.995 140 V CB -0.915 30.790 31.823 -0.197 0.000 0.633 140 V HN 0.506 nan 8.190 nan 0.000 0.446 141 D N -0.162 120.213 120.400 -0.042 0.000 2.126 141 D HA -0.207 4.438 4.640 0.009 0.000 0.190 141 D C 1.920 178.309 176.300 0.149 0.000 1.001 141 D CA 1.610 55.628 54.000 0.031 0.000 0.841 141 D CB -0.484 40.317 40.800 0.002 0.000 0.949 141 D HN 0.329 nan 8.370 nan 0.000 0.446 142 L N -0.265 120.999 121.223 0.069 0.000 2.017 142 L HA -0.089 4.256 4.340 0.009 0.000 0.208 142 L C 2.073 179.029 176.870 0.144 0.000 1.073 142 L CA 1.557 56.472 54.840 0.124 0.000 0.745 142 L CB -0.144 41.822 42.059 -0.155 0.000 0.894 142 L HN 0.039 nan 8.230 nan 0.000 0.432 143 L N -1.636 119.594 121.223 0.012 0.000 2.433 143 L HA 0.309 4.655 4.340 0.009 0.000 0.200 143 L C 1.071 177.949 176.870 0.014 0.000 1.059 143 L CA 0.514 55.343 54.840 -0.019 0.000 0.835 143 L CB -0.198 41.823 42.059 -0.064 0.000 1.076 143 L HN 0.159 nan 8.230 nan 0.000 0.481 144 A N 1.028 123.875 122.820 0.046 0.000 3.248 144 A HA 0.451 4.777 4.320 0.009 0.000 0.315 144 A C -2.529 175.144 177.584 0.149 0.000 0.974 144 A CA -1.163 50.932 52.037 0.096 0.000 0.939 144 A CB -0.455 18.619 19.000 0.124 0.000 1.061 144 A HN -0.076 nan 8.150 nan 0.000 0.481 145 P HA 0.143 nan 4.420 nan 0.000 0.275 145 P C -0.953 176.515 177.300 0.280 0.000 1.228 145 P CA 0.138 63.324 63.100 0.142 0.000 0.786 145 P CB 0.583 32.364 31.700 0.134 0.000 0.927 146 Y N 0.625 120.948 120.300 0.038 0.000 2.377 146 Y HA 0.324 4.880 4.550 0.010 0.000 0.330 146 Y C 1.193 177.090 175.900 -0.005 0.000 1.108 146 Y CA -1.432 56.675 58.100 0.011 0.000 1.308 146 Y CB -0.155 38.303 38.460 -0.004 0.000 1.216 146 Y HN 0.382 nan 8.280 nan 0.000 0.518 147 A N 4.566 127.455 122.820 0.115 0.000 2.409 147 A HA 0.204 4.529 4.320 0.009 0.000 0.267 147 A C 0.467 178.056 177.584 0.009 0.000 1.127 147 A CA -0.819 51.245 52.037 0.044 0.000 0.795 147 A CB -0.118 18.890 19.000 0.013 0.000 1.061 147 A HN 0.762 nan 8.150 nan 0.000 0.502 148 K N 1.959 122.355 120.400 -0.008 0.000 2.405 148 K HA 0.188 4.513 4.320 0.009 0.000 0.273 148 K C 1.276 177.846 176.600 -0.051 0.000 1.116 148 K CA 1.423 57.682 56.287 -0.046 0.000 1.155 148 K CB -0.433 32.036 32.500 -0.052 0.000 0.858 148 K HN 1.555 nan 8.250 nan 0.000 0.477 149 G N 2.452 111.211 108.800 -0.068 0.000 2.176 149 G HA2 -0.239 3.727 3.960 0.009 0.000 0.253 149 G HA3 -0.239 3.727 3.960 0.009 0.000 0.253 149 G C 0.411 175.267 174.900 -0.073 0.000 0.979 149 G CA -0.117 44.941 45.100 -0.071 0.000 0.641 149 G HN 0.909 nan 8.290 nan 0.000 0.530 150 G N -0.568 108.187 108.800 -0.076 0.000 2.588 150 G HA2 0.600 4.565 3.960 0.009 0.000 0.281 150 G HA3 0.600 4.565 3.960 0.009 0.000 0.281 150 G C -0.234 174.586 174.900 -0.133 0.000 1.236 150 G CA -0.286 44.765 45.100 -0.081 0.000 0.969 150 G HN 0.386 nan 8.290 nan 0.000 0.504 151 K N -1.046 119.278 120.400 -0.126 0.000 2.259 151 K HA 0.631 4.956 4.320 0.009 0.000 0.252 151 K C -0.959 175.522 176.600 -0.199 0.000 0.936 151 K CA -0.323 55.864 56.287 -0.166 0.000 0.810 151 K CB 2.153 34.584 32.500 -0.115 0.000 1.143 151 K HN 0.259 nan 8.250 nan 0.000 0.427 152 I N 1.119 121.533 120.570 -0.260 0.000 2.499 152 I HA 0.358 4.533 4.170 0.009 0.000 0.288 152 I C 0.190 176.200 176.117 -0.178 0.000 1.048 152 I CA -0.529 60.615 61.300 -0.261 0.000 1.062 152 I CB 2.250 39.931 38.000 -0.531 0.000 1.238 152 I HN 0.609 nan 8.210 nan 0.000 0.426 153 G N 5.440 114.168 108.800 -0.121 0.000 2.370 153 G HA2 0.525 4.490 3.960 0.009 0.000 0.272 153 G HA3 0.525 4.490 3.960 0.009 0.000 0.272 153 G C -1.088 173.783 174.900 -0.047 0.000 1.208 153 G CA -0.306 44.683 45.100 -0.184 0.000 0.856 153 G HN 0.471 nan 8.290 nan 0.000 0.500 154 L N 3.068 124.192 121.223 -0.165 0.000 2.295 154 L HA 0.646 4.992 4.340 0.009 0.000 0.281 154 L C -1.197 175.616 176.870 -0.095 0.000 1.018 154 L CA -0.851 53.999 54.840 0.017 0.000 0.841 154 L CB 0.361 42.464 42.059 0.074 0.000 1.218 154 L HN 0.344 nan 8.230 nan 0.000 0.424 155 F N 3.408 123.408 119.950 0.084 0.000 2.432 155 F HA 0.827 5.359 4.527 0.009 0.000 0.329 155 F C 1.240 177.090 175.800 0.083 0.000 1.076 155 F CA 0.340 58.388 58.000 0.080 0.000 1.018 155 F CB 1.968 41.015 39.000 0.079 0.000 1.201 155 F HN 0.561 nan 8.300 nan 0.000 0.489 156 G N -0.155 108.799 108.800 0.257 0.000 4.386 156 G HA2 0.372 4.337 3.960 0.009 0.000 0.185 156 G HA3 0.372 4.337 3.960 0.009 0.000 0.185 156 G C 0.509 175.491 174.900 0.136 0.000 1.725 156 G CA 0.271 45.477 45.100 0.176 0.000 0.941 156 G HN 1.630 nan 8.290 nan 0.000 0.315 157 G N 0.521 109.396 108.800 0.125 0.000 2.520 157 G HA2 0.314 4.280 3.960 0.009 0.000 0.248 157 G HA3 0.314 4.280 3.960 0.009 0.000 0.248 157 G C 0.656 175.612 174.900 0.092 0.000 1.161 157 G CA 1.576 46.745 45.100 0.114 0.000 0.946 157 G HN 2.225 nan 8.290 nan 0.000 0.565 158 A N -0.189 122.679 122.820 0.080 0.000 2.279 158 A HA 0.788 5.114 4.320 0.009 0.000 0.303 158 A C 1.752 179.369 177.584 0.055 0.000 1.108 158 A CA 1.335 53.409 52.037 0.061 0.000 0.830 158 A CB 0.444 19.475 19.000 0.050 0.000 1.106 158 A HN 2.855 nan 8.150 nan 0.000 0.493 159 G N -0.709 108.115 108.800 0.039 0.000 2.395 159 G HA2 -0.009 3.956 3.960 0.009 0.000 0.300 159 G HA3 -0.009 3.956 3.960 0.009 0.000 0.300 159 G C 0.361 175.291 174.900 0.050 0.000 0.998 159 G CA 1.030 46.148 45.100 0.030 0.000 1.046 159 G HN 2.139 nan 8.290 nan 0.000 0.513 160 V N -3.823 116.128 119.914 0.061 0.000 3.329 160 V HA 0.691 4.816 4.120 0.009 0.000 0.317 160 V C 1.538 177.694 176.094 0.103 0.000 1.495 160 V CA 0.605 62.961 62.300 0.093 0.000 1.105 160 V CB 0.055 31.940 31.823 0.103 0.000 0.985 160 V HN 2.166 nan 8.190 nan 0.000 0.475 161 G N 1.406 110.242 108.800 0.060 0.000 2.132 161 G HA2 -0.274 3.691 3.960 0.009 0.000 0.228 161 G HA3 -0.274 3.691 3.960 0.009 0.000 0.228 161 G C 0.900 175.853 174.900 0.088 0.000 1.000 161 G CA 0.546 45.681 45.100 0.057 0.000 0.693 161 G HN 0.438 nan 8.290 nan 0.000 0.515 162 K N -0.026 120.417 120.400 0.072 0.000 2.097 162 K HA -0.050 4.276 4.320 0.009 0.000 0.205 162 K C 2.319 178.939 176.600 0.035 0.000 1.050 162 K CA 2.070 58.403 56.287 0.076 0.000 0.938 162 K CB -0.327 32.219 32.500 0.076 0.000 0.718 162 K HN 0.401 nan 8.250 nan 0.000 0.442 163 T N 0.674 115.230 114.554 0.003 0.000 2.896 163 T HA -0.038 4.318 4.350 0.009 0.000 0.263 163 T C 1.935 176.611 174.700 -0.040 0.000 1.050 163 T CA 0.861 62.931 62.100 -0.049 0.000 1.140 163 T CB 0.014 68.853 68.868 -0.049 0.000 0.877 163 T HN -0.056 nan 8.240 nan 0.000 0.457 164 V N 1.760 121.684 119.914 0.016 0.000 2.343 164 V HA -0.107 4.019 4.120 0.009 0.000 0.247 164 V C 2.390 178.547 176.094 0.104 0.000 1.051 164 V CA 1.324 63.669 62.300 0.075 0.000 1.036 164 V CB -0.599 31.289 31.823 0.107 0.000 0.654 164 V HN 0.327 nan 8.190 nan 0.000 0.451 165 L N -0.153 121.159 121.223 0.148 0.000 2.017 165 L HA -0.140 4.205 4.340 0.009 0.000 0.208 165 L C 2.164 179.033 176.870 -0.001 0.000 1.073 165 L CA 1.880 56.808 54.840 0.147 0.000 0.745 165 L CB -0.485 41.706 42.059 0.220 0.000 0.894 165 L HN 0.209 nan 8.230 nan 0.000 0.432 166 I N -0.952 119.580 120.570 -0.062 0.000 2.099 166 I HA -0.393 3.782 4.170 0.009 0.000 0.239 166 I C 2.528 178.493 176.117 -0.254 0.000 1.066 166 I CA 2.102 63.227 61.300 -0.291 0.000 1.324 166 I CB -0.314 37.380 38.000 -0.510 0.000 1.037 166 I HN 0.314 nan 8.210 nan 0.000 0.401 167 M N -0.301 119.186 119.600 -0.188 0.000 2.149 167 M HA -0.249 4.236 4.480 0.009 0.000 0.261 167 M C 2.224 178.458 176.300 -0.110 0.000 1.064 167 M CA 1.736 56.958 55.300 -0.129 0.000 1.102 167 M CB -0.463 32.087 32.600 -0.083 0.000 1.369 167 M HN 0.172 nan 8.290 nan 0.000 0.408 168 E N 0.943 121.032 120.200 -0.185 0.000 2.107 168 E HA -0.101 4.255 4.350 0.009 0.000 0.191 168 E C 1.817 178.281 176.600 -0.226 0.000 0.982 168 E CA 0.995 57.193 56.400 -0.337 0.000 0.809 168 E CB -0.202 28.936 29.700 -0.936 0.000 0.756 168 E HN 0.439 nan 8.360 nan 0.000 0.459 169 L N 0.172 121.331 121.223 -0.107 0.000 2.042 169 L HA -0.211 4.135 4.340 0.009 0.000 0.210 169 L C 2.399 179.355 176.870 0.145 0.000 1.076 169 L CA 1.234 56.121 54.840 0.078 0.000 0.749 169 L CB -0.431 41.818 42.059 0.317 0.000 0.893 169 L HN 0.249 nan 8.230 nan 0.000 0.432 170 I N -0.251 120.420 120.570 0.168 0.000 2.127 170 I HA -0.342 3.833 4.170 0.009 0.000 0.241 170 I C 2.295 178.458 176.117 0.076 0.000 1.075 170 I CA 1.798 63.200 61.300 0.170 0.000 1.334 170 I CB -0.434 37.644 38.000 0.129 0.000 1.040 170 I HN 0.323 nan 8.210 nan 0.000 0.405 171 N N 0.923 119.633 118.700 0.017 0.000 2.120 171 N HA -0.192 4.553 4.740 0.009 0.000 0.188 171 N C 1.615 177.116 175.510 -0.016 0.000 1.024 171 N CA 1.529 54.575 53.050 -0.007 0.000 0.852 171 N CB -0.036 38.428 38.487 -0.039 0.000 1.003 171 N HN 0.197 nan 8.380 nan 0.000 0.424 172 N N -0.562 118.119 118.700 -0.031 0.000 2.270 172 N HA -0.048 4.697 4.740 0.009 0.000 0.181 172 N C 1.416 176.935 175.510 0.015 0.000 1.016 172 N CA 0.500 53.530 53.050 -0.033 0.000 0.870 172 N CB -0.189 38.263 38.487 -0.058 0.000 0.979 172 N HN 0.103 nan 8.380 nan 0.000 0.431 173 V N 0.790 120.747 119.914 0.072 0.000 2.719 173 V HA 0.006 4.131 4.120 0.009 0.000 0.252 173 V C 2.177 178.303 176.094 0.053 0.000 1.065 173 V CA 1.321 63.712 62.300 0.153 0.000 1.086 173 V CB -0.595 31.298 31.823 0.117 0.000 0.700 173 V HN 0.244 nan 8.190 nan 0.000 0.467 174 A N -0.348 122.472 122.820 -0.000 0.000 1.898 174 A HA -0.210 4.115 4.320 0.009 0.000 0.216 174 A C 2.317 179.857 177.584 -0.073 0.000 1.181 174 A CA 1.972 53.972 52.037 -0.061 0.000 0.620 174 A CB -0.336 18.662 19.000 -0.003 0.000 0.819 174 A HN 0.465 nan 8.150 nan 0.000 0.442 175 K N -0.730 119.634 120.400 -0.059 0.000 2.007 175 K HA 0.030 4.356 4.320 0.009 0.000 0.206 175 K C 2.094 178.613 176.600 -0.135 0.000 1.047 175 K CA 1.072 57.312 56.287 -0.078 0.000 0.937 175 K CB -0.208 32.253 32.500 -0.065 0.000 0.718 175 K HN 0.377 nan 8.250 nan 0.000 0.438 176 A N -0.189 122.499 122.820 -0.221 0.000 2.072 176 A HA -0.038 4.287 4.320 0.009 0.000 0.216 176 A C 1.086 178.308 177.584 -0.604 0.000 1.156 176 A CA 0.829 52.603 52.037 -0.437 0.000 0.701 176 A CB -0.113 18.528 19.000 -0.600 0.000 0.816 176 A HN 0.364 nan 8.150 nan 0.000 0.458 177 H N -2.133 116.901 119.070 -0.060 0.000 3.535 177 H HA 0.232 4.794 4.556 0.009 0.000 0.260 177 H C 1.317 176.584 175.328 -0.101 0.000 1.173 177 H CA 0.318 56.327 56.048 -0.066 0.000 1.168 177 H CB 0.209 29.937 29.762 -0.056 0.000 1.568 177 H HN 0.557 nan 8.280 nan 0.000 0.602 178 G N 1.645 110.409 108.800 -0.059 0.000 2.273 178 G HA2 -0.218 3.748 3.960 0.009 0.000 0.280 178 G HA3 -0.218 3.748 3.960 0.009 0.000 0.280 178 G C 0.540 175.275 174.900 -0.275 0.000 1.047 178 G CA 0.480 45.486 45.100 -0.158 0.000 0.869 178 G HN 0.689 nan 8.290 nan 0.000 0.502 179 G N -1.478 107.173 108.800 -0.249 0.000 2.453 179 G HA2 0.694 4.659 3.960 0.009 0.000 0.323 179 G HA3 0.694 4.659 3.960 0.009 0.000 0.323 179 G C -0.326 174.325 174.900 -0.416 0.000 1.198 179 G CA -1.057 43.847 45.100 -0.326 0.000 0.959 179 G HN 0.257 nan 8.290 nan 0.000 0.482 180 Y N -0.121 120.020 120.300 -0.265 0.000 2.436 180 Y HA 0.627 5.182 4.550 0.009 0.000 0.336 180 Y C 1.017 176.780 175.900 -0.229 0.000 1.318 180 Y CA -0.474 57.418 58.100 -0.345 0.000 1.493 180 Y CB 1.764 39.771 38.460 -0.756 0.000 1.547 180 Y HN 0.436 nan 8.280 nan 0.000 0.549 181 S N -0.087 115.648 115.700 0.057 0.000 2.599 181 S HA 0.728 5.203 4.470 0.009 0.000 0.287 181 S C -1.426 173.262 174.600 0.145 0.000 1.105 181 S CA -0.796 57.476 58.200 0.119 0.000 0.899 181 S CB 2.012 65.381 63.200 0.281 0.000 1.100 181 S HN 0.300 nan 8.310 nan 0.000 0.482 182 V N 2.231 122.264 119.914 0.198 0.000 2.789 182 V HA 0.583 4.708 4.120 0.009 0.000 0.311 182 V C -1.417 174.893 176.094 0.359 0.000 1.073 182 V CA -0.735 61.699 62.300 0.223 0.000 0.921 182 V CB 1.665 33.579 31.823 0.151 0.000 1.009 182 V HN 0.839 nan 8.190 nan 0.000 0.426 183 F N 3.429 123.495 119.950 0.194 0.000 2.427 183 F HA 0.800 5.333 4.527 0.010 0.000 0.348 183 F C 0.188 176.093 175.800 0.174 0.000 1.125 183 F CA -0.629 57.508 58.000 0.229 0.000 0.989 183 F CB 1.277 40.386 39.000 0.182 0.000 1.165 183 F HN 0.598 nan 8.300 nan 0.000 0.442 184 A N 4.565 127.129 122.820 -0.428 0.000 2.273 184 A HA 0.604 4.930 4.320 0.009 0.000 0.320 184 A C 0.166 177.452 177.584 -0.498 0.000 1.358 184 A CA -0.315 51.542 52.037 -0.299 0.000 0.910 184 A CB 0.051 18.947 19.000 -0.175 0.000 1.159 184 A HN 1.045 nan 8.150 nan 0.000 0.526 185 G N 1.927 110.612 108.800 -0.192 0.000 2.639 185 G HA2 0.463 4.428 3.960 0.009 0.000 0.312 185 G HA3 0.463 4.428 3.960 0.009 0.000 0.312 185 G C -0.324 174.537 174.900 -0.065 0.000 0.911 185 G CA -0.119 44.905 45.100 -0.126 0.000 1.410 185 G HN 0.631 nan 8.290 nan 0.000 0.469 186 V N 2.644 122.509 119.914 -0.081 0.000 2.353 186 V HA 0.542 4.667 4.120 0.009 0.000 0.264 186 V C 1.263 177.354 176.094 -0.005 0.000 1.049 186 V CA 0.572 62.864 62.300 -0.013 0.000 0.896 186 V CB 0.522 32.359 31.823 0.025 0.000 1.025 186 V HN 1.228 nan 8.190 nan 0.000 0.475 187 G N 3.899 112.695 108.800 -0.007 0.000 2.256 187 G HA2 -0.239 3.727 3.960 0.009 0.000 0.272 187 G HA3 -0.239 3.727 3.960 0.009 0.000 0.272 187 G C -0.028 174.852 174.900 -0.034 0.000 1.076 187 G CA 0.289 45.383 45.100 -0.011 0.000 0.882 187 G HN 0.854 nan 8.290 nan 0.000 0.497 188 E N 0.197 120.352 120.200 -0.074 0.000 2.376 188 E HA 0.387 4.743 4.350 0.009 0.000 0.266 188 E C 1.041 177.572 176.600 -0.116 0.000 1.009 188 E CA -0.263 56.050 56.400 -0.145 0.000 0.902 188 E CB 0.306 29.780 29.700 -0.376 0.000 0.972 188 E HN 0.457 nan 8.360 nan 0.000 0.439 189 R N 3.712 124.160 120.500 -0.086 0.000 2.316 189 R HA 0.081 4.426 4.340 0.009 0.000 0.314 189 R C 1.035 177.301 176.300 -0.057 0.000 1.069 189 R CA 0.146 56.216 56.100 -0.050 0.000 0.959 189 R CB 0.519 30.804 30.300 -0.025 0.000 0.987 189 R HN 0.706 nan 8.270 nan 0.000 0.446 190 T N 2.344 116.883 114.554 -0.026 0.000 2.649 190 T HA -0.290 4.065 4.350 0.009 0.000 0.268 190 T C 1.775 176.494 174.700 0.031 0.000 1.036 190 T CA 1.692 63.797 62.100 0.008 0.000 1.157 190 T CB -0.161 68.727 68.868 0.034 0.000 0.861 190 T HN 0.577 nan 8.240 nan 0.000 0.445 191 R N 0.914 121.430 120.500 0.027 0.000 2.083 191 R HA -0.148 4.198 4.340 0.009 0.000 0.237 191 R C 2.315 178.642 176.300 0.044 0.000 1.137 191 R CA 1.950 58.074 56.100 0.040 0.000 0.951 191 R CB -0.173 30.143 30.300 0.027 0.000 0.851 191 R HN 0.510 nan 8.270 nan 0.000 0.434 192 E N -1.237 118.972 120.200 0.015 0.000 2.208 192 E HA -0.069 4.287 4.350 0.009 0.000 0.193 192 E C 1.785 178.395 176.600 0.016 0.000 0.988 192 E CA 0.835 57.243 56.400 0.014 0.000 0.828 192 E CB -0.035 29.664 29.700 -0.001 0.000 0.763 192 E HN 0.595 nan 8.360 nan 0.000 0.478 193 G N 1.076 109.854 108.800 -0.037 0.000 2.422 193 G HA2 -0.312 3.654 3.960 0.009 0.000 0.218 193 G HA3 -0.312 3.654 3.960 0.009 0.000 0.218 193 G C 1.393 176.492 174.900 0.332 0.000 1.140 193 G CA 0.881 45.970 45.100 -0.018 0.000 0.775 193 G HN 0.201 nan 8.290 nan 0.000 0.545 194 N N 0.522 119.375 118.700 0.256 0.000 2.142 194 N HA -0.094 4.652 4.740 0.009 0.000 0.186 194 N C 1.668 177.380 175.510 0.337 0.000 1.023 194 N CA 1.606 54.853 53.050 0.328 0.000 0.852 194 N CB -0.061 38.568 38.487 0.236 0.000 0.998 194 N HN 0.100 nan 8.380 nan 0.000 0.424 195 D N 0.050 120.571 120.400 0.201 0.000 2.097 195 D HA -0.125 4.520 4.640 0.009 0.000 0.197 195 D C 1.920 178.302 176.300 0.138 0.000 0.984 195 D CA 0.602 54.692 54.000 0.149 0.000 0.826 195 D CB -0.469 40.378 40.800 0.079 0.000 0.973 195 D HN 0.279 nan 8.370 nan 0.000 0.460 196 L N -0.010 121.280 121.223 0.112 0.000 2.046 196 L HA -0.192 4.153 4.340 0.009 0.000 0.208 196 L C 2.280 179.199 176.870 0.082 0.000 1.077 196 L CA 1.429 56.292 54.840 0.038 0.000 0.747 196 L CB -0.587 41.438 42.059 -0.056 0.000 0.896 196 L HN 0.014 nan 8.230 nan 0.000 0.432 197 Y N 0.144 120.453 120.300 0.016 0.000 2.097 197 Y HA -0.299 4.256 4.550 0.009 0.000 0.282 197 Y C 2.535 178.351 175.900 -0.141 0.000 1.152 197 Y CA 2.266 60.315 58.100 -0.086 0.000 1.136 197 Y CB -0.928 37.471 38.460 -0.102 0.000 0.975 197 Y HN 0.424 nan 8.280 nan 0.000 0.498 198 H N -0.144 118.822 119.070 -0.174 0.000 2.353 198 H HA -0.106 4.455 4.556 0.009 0.000 0.300 198 H C 2.187 177.441 175.328 -0.124 0.000 1.090 198 H CA 1.878 57.780 56.048 -0.244 0.000 1.327 198 H CB -0.090 29.577 29.762 -0.158 0.000 1.383 198 H HN 0.451 nan 8.280 nan 0.000 0.508 199 E N 0.051 120.289 120.200 0.063 0.000 2.118 199 E HA -0.224 4.132 4.350 0.009 0.000 0.195 199 E C 1.998 178.601 176.600 0.005 0.000 0.992 199 E CA 1.223 57.652 56.400 0.048 0.000 0.804 199 E CB -0.084 29.644 29.700 0.047 0.000 0.741 199 E HN 0.509 nan 8.360 nan 0.000 0.458 200 M N 0.014 119.596 119.600 -0.031 0.000 2.175 200 M HA -0.126 4.359 4.480 0.009 0.000 0.264 200 M C 2.205 178.472 176.300 -0.055 0.000 1.063 200 M CA 1.155 56.430 55.300 -0.042 0.000 1.119 200 M CB -0.068 32.512 32.600 -0.033 0.000 1.377 200 M HN 0.095 nan 8.290 nan 0.000 0.415 201 I N -0.188 120.314 120.570 -0.113 0.000 2.179 201 I HA -0.292 3.883 4.170 0.009 0.000 0.242 201 I C 2.402 178.472 176.117 -0.077 0.000 1.088 201 I CA 1.456 62.677 61.300 -0.132 0.000 1.357 201 I CB -0.372 37.474 38.000 -0.256 0.000 1.051 201 I HN 0.338 nan 8.210 nan 0.000 0.409 202 E N 0.384 120.549 120.200 -0.059 0.000 2.204 202 E HA -0.189 4.167 4.350 0.009 0.000 0.194 202 E C 2.065 178.640 176.600 -0.042 0.000 0.989 202 E CA 1.325 57.693 56.400 -0.053 0.000 0.824 202 E CB 0.122 29.793 29.700 -0.049 0.000 0.756 202 E HN 0.510 nan 8.360 nan 0.000 0.477 203 S N -1.941 113.750 115.700 -0.016 0.000 2.548 203 S HA 0.217 4.693 4.470 0.009 0.000 0.215 203 S C 1.458 176.053 174.600 -0.009 0.000 0.976 203 S CA 0.542 58.744 58.200 0.003 0.000 0.908 203 S CB 0.897 64.114 63.200 0.028 0.000 0.781 203 S HN 0.396 nan 8.310 nan 0.000 0.519 204 G N 0.999 109.787 108.800 -0.021 0.000 2.279 204 G HA2 -0.372 3.593 3.960 0.009 0.000 0.223 204 G HA3 -0.372 3.593 3.960 0.009 0.000 0.223 204 G C 1.084 175.977 174.900 -0.013 0.000 1.015 204 G CA 0.377 45.466 45.100 -0.018 0.000 0.621 204 G HN 1.338 nan 8.290 nan 0.000 0.506 205 V N -0.269 119.639 119.914 -0.011 0.000 2.469 205 V HA 0.227 4.353 4.120 0.009 0.000 0.251 205 V C 1.432 177.523 176.094 -0.004 0.000 1.064 205 V CA 1.819 64.117 62.300 -0.003 0.000 1.066 205 V CB -0.443 31.375 31.823 -0.008 0.000 0.667 205 V HN 0.556 nan 8.190 nan 0.000 0.461 206 I N 1.695 122.258 120.570 -0.011 0.000 2.412 206 I HA 0.430 4.605 4.170 0.009 0.000 0.296 206 I C -0.248 175.857 176.117 -0.020 0.000 0.987 206 I CA -0.207 61.090 61.300 -0.006 0.000 1.180 206 I CB 1.462 39.478 38.000 0.028 0.000 1.340 206 I HN 0.215 nan 8.210 nan 0.000 0.455 207 N N 6.388 125.078 118.700 -0.017 0.000 2.461 207 N HA 0.334 5.079 4.740 0.009 0.000 0.284 207 N C -0.021 175.478 175.510 -0.018 0.000 1.049 207 N CA -0.417 52.620 53.050 -0.022 0.000 0.889 207 N CB 2.007 40.484 38.487 -0.018 0.000 1.365 207 N HN 0.600 nan 8.380 nan 0.000 0.499 208 L N 3.013 124.223 121.223 -0.021 0.000 2.558 208 L HA 0.067 4.412 4.340 0.009 0.000 0.225 208 L C 1.615 178.478 176.870 -0.012 0.000 1.128 208 L CA 0.606 55.439 54.840 -0.011 0.000 0.868 208 L CB 0.144 42.193 42.059 -0.017 0.000 1.006 208 L HN 0.416 nan 8.230 nan 0.000 0.454 209 K N 0.038 120.429 120.400 -0.015 0.000 2.108 209 K HA 0.009 4.334 4.320 0.009 0.000 0.204 209 K C 0.699 177.293 176.600 -0.011 0.000 1.036 209 K CA 0.887 57.167 56.287 -0.013 0.000 0.965 209 K CB -0.024 32.468 32.500 -0.014 0.000 0.804 209 K HN 0.279 nan 8.250 nan 0.000 0.454 210 D N -0.519 119.874 120.400 -0.011 0.000 2.443 210 D HA 0.320 4.966 4.640 0.009 0.000 0.249 210 D C -0.182 176.110 176.300 -0.014 0.000 1.218 210 D CA -0.656 53.339 54.000 -0.010 0.000 1.108 210 D CB 0.047 40.843 40.800 -0.006 0.000 1.197 210 D HN 0.015 nan 8.370 nan 0.000 0.600 211 A N -0.873 121.940 122.820 -0.012 0.000 2.610 211 A HA 0.361 4.686 4.320 0.009 0.000 0.290 211 A C 0.744 178.316 177.584 -0.021 0.000 1.001 211 A CA 0.105 52.128 52.037 -0.022 0.000 1.004 211 A CB -0.715 18.273 19.000 -0.020 0.000 1.220 211 A HN 0.511 nan 8.150 nan 0.000 0.507 212 T N -2.394 112.154 114.554 -0.010 0.000 3.129 212 T HA 0.150 4.505 4.350 0.009 0.000 0.251 212 T C 0.769 175.469 174.700 -0.001 0.000 1.117 212 T CA 0.373 62.478 62.100 0.008 0.000 1.034 212 T CB -0.376 68.501 68.868 0.015 0.000 0.968 212 T HN 0.177 nan 8.240 nan 0.000 0.526 213 S N 1.681 117.357 115.700 -0.039 0.000 2.558 213 S HA 0.160 4.635 4.470 0.009 0.000 0.287 213 S C 0.993 175.543 174.600 -0.082 0.000 1.321 213 S CA -0.211 57.957 58.200 -0.053 0.000 1.048 213 S CB 0.843 64.002 63.200 -0.068 0.000 0.844 213 S HN 0.519 nan 8.310 nan 0.000 0.512 214 K N 0.642 121.031 120.400 -0.018 0.000 2.435 214 K HA 0.192 4.517 4.320 0.009 0.000 0.199 214 K C -0.316 176.307 176.600 0.038 0.000 1.153 214 K CA 0.179 56.507 56.287 0.069 0.000 0.974 214 K CB 0.598 33.174 32.500 0.127 0.000 0.997 214 K HN 0.410 nan 8.250 nan 0.000 0.547 215 V N 1.054 120.977 119.914 0.015 0.000 2.732 215 V HA 0.661 4.787 4.120 0.009 0.000 0.310 215 V C -0.433 175.665 176.094 0.008 0.000 1.053 215 V CA -1.333 60.996 62.300 0.048 0.000 0.957 215 V CB 1.533 33.402 31.823 0.076 0.000 1.018 215 V HN 0.095 nan 8.190 nan 0.000 0.452 216 A N 4.098 126.948 122.820 0.050 0.000 2.331 216 A HA 0.845 5.170 4.320 0.009 0.000 0.320 216 A C -0.799 176.820 177.584 0.059 0.000 1.138 216 A CA -0.593 51.461 52.037 0.028 0.000 0.790 216 A CB 0.790 19.828 19.000 0.063 0.000 1.206 216 A HN 0.815 nan 8.150 nan 0.000 0.470 217 L N 2.575 123.776 121.223 -0.037 0.000 2.295 217 L HA 0.614 4.959 4.340 0.009 0.000 0.285 217 L C -0.859 175.951 176.870 -0.100 0.000 1.035 217 L CA -0.861 53.947 54.840 -0.053 0.000 0.806 217 L CB 1.636 43.484 42.059 -0.352 0.000 1.214 217 L HN 0.408 nan 8.230 nan 0.000 0.426 218 V N 3.441 123.385 119.914 0.049 0.000 2.482 218 V HA 0.366 4.491 4.120 0.009 0.000 0.295 218 V C -0.813 175.439 176.094 0.264 0.000 1.026 218 V CA -0.518 61.817 62.300 0.059 0.000 0.856 218 V CB 1.461 33.309 31.823 0.042 0.000 1.001 218 V HN 0.507 nan 8.190 nan 0.000 0.424 219 Y N 2.127 122.443 120.300 0.028 0.000 2.328 219 Y HA 0.610 5.166 4.550 0.009 0.000 0.337 219 Y C 0.885 176.796 175.900 0.019 0.000 0.966 219 Y CA -0.961 57.163 58.100 0.040 0.000 1.136 219 Y CB 2.377 40.861 38.460 0.041 0.000 1.170 219 Y HN 0.711 nan 8.280 nan 0.000 0.470 220 G N 4.684 113.563 108.800 0.132 0.000 3.102 220 G HA2 0.288 4.253 3.960 0.009 0.000 0.345 220 G HA3 0.288 4.253 3.960 0.009 0.000 0.345 220 G C -0.788 174.128 174.900 0.027 0.000 1.200 220 G CA -0.466 44.674 45.100 0.066 0.000 1.163 220 G HN 0.624 nan 8.290 nan 0.000 0.465 221 Q N 1.238 121.056 119.800 0.031 0.000 2.421 221 Q HA 0.196 4.541 4.340 0.009 0.000 0.255 221 Q C 1.520 177.520 176.000 -0.000 0.000 1.013 221 Q CA -0.163 55.639 55.803 -0.001 0.000 0.895 221 Q CB 1.476 30.224 28.738 0.015 0.000 1.271 221 Q HN 0.518 nan 8.270 nan 0.000 0.460 222 M N 1.447 121.040 119.600 -0.010 0.000 2.213 222 M HA -0.200 4.285 4.480 0.009 0.000 0.263 222 M C 1.373 177.673 176.300 -0.001 0.000 1.062 222 M CA 1.628 56.924 55.300 -0.007 0.000 1.105 222 M CB -0.326 32.268 32.600 -0.010 0.000 1.385 222 M HN 0.709 nan 8.290 nan 0.000 0.417 223 N N -0.125 118.577 118.700 0.004 0.000 2.501 223 N HA -0.012 4.734 4.740 0.009 0.000 0.195 223 N C -0.399 175.117 175.510 0.010 0.000 1.213 223 N CA -0.106 52.948 53.050 0.007 0.000 0.864 223 N CB 0.110 38.603 38.487 0.010 0.000 0.999 223 N HN 0.386 nan 8.380 nan 0.000 0.454 224 E N 1.017 121.223 120.200 0.010 0.000 2.248 224 E HA 0.305 4.660 4.350 0.009 0.000 0.272 224 E C -2.341 174.262 176.600 0.006 0.000 1.008 224 E CA -2.374 54.033 56.400 0.013 0.000 0.856 224 E CB 0.930 30.642 29.700 0.019 0.000 1.120 224 E HN 0.122 nan 8.360 nan 0.000 0.397 225 P HA -0.085 nan 4.420 nan 0.000 0.269 225 P C -2.067 175.230 177.300 -0.005 0.000 1.211 225 P CA -0.707 62.393 63.100 0.001 0.000 0.781 225 P CB -0.092 31.612 31.700 0.006 0.000 0.877 226 P HA -0.237 nan 4.420 nan 0.000 0.217 226 P C 1.536 178.822 177.300 -0.024 0.000 1.162 226 P CA 2.367 65.451 63.100 -0.027 0.000 0.901 226 P CB -0.573 31.108 31.700 -0.032 0.000 0.793 227 G N -0.732 108.062 108.800 -0.010 0.000 2.462 227 G HA2 -0.238 3.728 3.960 0.009 0.000 0.220 227 G HA3 -0.238 3.728 3.960 0.009 0.000 0.220 227 G C 1.576 176.484 174.900 0.014 0.000 1.121 227 G CA 1.014 46.115 45.100 0.003 0.000 0.758 227 G HN 0.387 nan 8.290 nan 0.000 0.559 228 A N 0.947 123.775 122.820 0.013 0.000 1.840 228 A HA 0.088 4.413 4.320 0.009 0.000 0.214 228 A C 2.407 180.005 177.584 0.023 0.000 1.198 228 A CA 1.465 53.515 52.037 0.022 0.000 0.608 228 A CB -0.386 18.628 19.000 0.022 0.000 0.839 228 A HN 0.303 nan 8.150 nan 0.000 0.443 229 R N -0.306 120.201 120.500 0.012 0.000 2.200 229 R HA -0.053 4.293 4.340 0.009 0.000 0.234 229 R C 2.162 178.477 176.300 0.024 0.000 1.127 229 R CA 1.052 57.161 56.100 0.014 0.000 0.989 229 R CB -0.363 29.935 30.300 -0.004 0.000 0.869 229 R HN 0.527 nan 8.270 nan 0.000 0.459 230 A N 0.461 123.279 122.820 -0.004 0.000 2.016 230 A HA -0.031 4.294 4.320 0.009 0.000 0.217 230 A C 1.713 179.355 177.584 0.097 0.000 1.162 230 A CA 0.842 52.858 52.037 -0.035 0.000 0.662 230 A CB 0.085 19.023 19.000 -0.102 0.000 0.812 230 A HN 0.039 nan 8.150 nan 0.000 0.450 231 R N -0.324 120.222 120.500 0.077 0.000 2.237 231 R HA 0.049 4.394 4.340 0.009 0.000 0.195 231 R C 2.007 178.333 176.300 0.043 0.000 0.956 231 R CA 1.205 57.345 56.100 0.066 0.000 1.029 231 R CB -1.390 28.930 30.300 0.033 0.000 0.972 231 R HN 0.495 nan 8.270 nan 0.000 0.493 232 V N 0.229 120.173 119.914 0.050 0.000 2.278 232 V HA -0.257 3.869 4.120 0.009 0.000 0.251 232 V C 2.438 178.534 176.094 0.004 0.000 1.062 232 V CA 1.970 64.287 62.300 0.029 0.000 1.038 232 V CB -1.522 30.324 31.823 0.038 0.000 0.646 232 V HN 0.189 nan 8.190 nan 0.000 0.447 233 A N 1.299 124.129 122.820 0.017 0.000 1.884 233 A HA -0.210 4.115 4.320 0.009 0.000 0.219 233 A C 2.282 179.813 177.584 -0.088 0.000 1.197 233 A CA 2.685 54.675 52.037 -0.077 0.000 0.637 233 A CB -0.835 18.050 19.000 -0.191 0.000 0.827 233 A HN 0.606 nan 8.150 nan 0.000 0.450 234 L N -0.901 120.289 121.223 -0.055 0.000 2.042 234 L HA -0.205 4.141 4.340 0.009 0.000 0.210 234 L C 2.817 179.636 176.870 -0.085 0.000 1.076 234 L CA 1.887 56.673 54.840 -0.089 0.000 0.749 234 L CB -1.491 40.486 42.059 -0.137 0.000 0.893 234 L HN 0.403 nan 8.230 nan 0.000 0.432 235 T N 0.096 114.611 114.554 -0.066 0.000 2.607 235 T HA -0.190 4.165 4.350 0.009 0.000 0.267 235 T C 1.898 176.579 174.700 -0.030 0.000 1.049 235 T CA 1.630 63.703 62.100 -0.045 0.000 1.162 235 T CB -0.863 67.991 68.868 -0.024 0.000 0.863 235 T HN 0.574 nan 8.240 nan 0.000 0.424 236 G N 1.354 110.139 108.800 -0.025 0.000 2.442 236 G HA2 -0.165 3.800 3.960 0.009 0.000 0.219 236 G HA3 -0.165 3.800 3.960 0.009 0.000 0.219 236 G C 1.527 176.422 174.900 -0.009 0.000 1.141 236 G CA 0.842 45.937 45.100 -0.009 0.000 0.763 236 G HN 0.409 nan 8.290 nan 0.000 0.554 237 L N 1.014 122.211 121.223 -0.044 0.000 2.079 237 L HA -0.015 4.330 4.340 0.009 0.000 0.210 237 L C 2.775 179.636 176.870 -0.015 0.000 1.081 237 L CA 2.521 57.333 54.840 -0.048 0.000 0.752 237 L CB -0.846 41.161 42.059 -0.086 0.000 0.896 237 L HN 0.182 nan 8.230 nan 0.000 0.433 238 T N -1.564 112.980 114.554 -0.017 0.000 2.896 238 T HA -0.076 4.280 4.350 0.009 0.000 0.263 238 T C 1.991 176.703 174.700 0.021 0.000 1.050 238 T CA 1.218 63.316 62.100 -0.003 0.000 1.140 238 T CB -0.244 68.612 68.868 -0.021 0.000 0.877 238 T HN 0.165 nan 8.240 nan 0.000 0.457 239 V N 2.057 121.981 119.914 0.018 0.000 2.324 239 V HA -0.245 3.880 4.120 0.009 0.000 0.250 239 V C 2.884 179.079 176.094 0.168 0.000 1.060 239 V CA 1.945 64.268 62.300 0.039 0.000 1.042 239 V CB -1.163 30.694 31.823 0.058 0.000 0.650 239 V HN 0.545 nan 8.190 nan 0.000 0.450 240 A N -0.772 122.155 122.820 0.179 0.000 1.930 240 A HA -0.200 4.126 4.320 0.009 0.000 0.217 240 A C 2.164 179.864 177.584 0.194 0.000 1.175 240 A CA 1.599 53.783 52.037 0.245 0.000 0.627 240 A CB -0.426 18.642 19.000 0.114 0.000 0.815 240 A HN 0.617 nan 8.150 nan 0.000 0.443 241 E N -1.642 118.616 120.200 0.096 0.000 2.150 241 E HA -0.189 4.166 4.350 0.009 0.000 0.193 241 E C 1.690 178.310 176.600 0.033 0.000 0.985 241 E CA 1.176 57.605 56.400 0.048 0.000 0.814 241 E CB -0.284 29.425 29.700 0.016 0.000 0.752 241 E HN 0.808 nan 8.360 nan 0.000 0.466 242 Y N 0.391 120.634 120.300 -0.095 0.000 2.097 242 Y HA -0.302 4.253 4.550 0.009 0.000 0.282 242 Y C 1.758 177.552 175.900 -0.177 0.000 1.152 242 Y CA 1.824 59.799 58.100 -0.208 0.000 1.136 242 Y CB -0.356 37.860 38.460 -0.406 0.000 0.975 242 Y HN -0.034 nan 8.280 nan 0.000 0.498 243 F N 0.055 120.121 119.950 0.193 0.000 2.134 243 F HA -0.166 4.366 4.527 0.009 0.000 0.299 243 F C 2.790 178.575 175.800 -0.025 0.000 1.097 243 F CA 1.751 59.828 58.000 0.128 0.000 1.264 243 F CB -0.495 38.644 39.000 0.230 0.000 1.001 243 F HN -0.045 nan 8.300 nan 0.000 0.479 244 R N 0.595 121.181 120.500 0.142 0.000 2.066 244 R HA -0.153 4.192 4.340 0.009 0.000 0.232 244 R C 1.626 177.901 176.300 -0.041 0.000 1.131 244 R CA 2.124 58.246 56.100 0.038 0.000 0.955 244 R CB -0.333 29.980 30.300 0.021 0.000 0.851 244 R HN 0.152 nan 8.270 nan 0.000 0.432 245 D N -0.194 120.149 120.400 -0.095 0.000 2.183 245 D HA -0.080 4.565 4.640 0.009 0.000 0.205 245 D C 1.834 178.015 176.300 -0.199 0.000 0.962 245 D CA 0.858 54.782 54.000 -0.127 0.000 0.849 245 D CB 0.095 40.829 40.800 -0.109 0.000 0.978 245 D HN 0.267 nan 8.370 nan 0.000 0.488 246 Q N 0.069 119.643 119.800 -0.376 0.000 2.396 246 Q HA 0.093 4.438 4.340 0.009 0.000 0.209 246 Q C 1.121 176.938 176.000 -0.305 0.000 0.906 246 Q CA 0.538 56.068 55.803 -0.456 0.000 0.927 246 Q CB 0.756 28.909 28.738 -0.975 0.000 1.069 246 Q HN 0.464 nan 8.270 nan 0.000 0.523 247 E N -0.866 119.205 120.200 -0.215 0.000 2.541 247 E HA 0.197 4.552 4.350 0.009 0.000 0.219 247 E C 0.493 177.088 176.600 -0.008 0.000 0.922 247 E CA 0.394 56.765 56.400 -0.049 0.000 1.095 247 E CB 1.306 31.065 29.700 0.098 0.000 1.112 247 E HN 0.310 nan 8.360 nan 0.000 0.516 248 G N 2.637 111.421 108.800 -0.028 0.000 2.143 248 G HA2 -0.307 3.658 3.960 0.009 0.000 0.248 248 G HA3 -0.307 3.658 3.960 0.009 0.000 0.248 248 G C 0.172 175.069 174.900 -0.005 0.000 0.991 248 G CA 0.426 45.514 45.100 -0.020 0.000 0.689 248 G HN 0.217 nan 8.290 nan 0.000 0.522 249 Q N -0.123 119.688 119.800 0.017 0.000 2.318 249 Q HA 0.406 4.752 4.340 0.009 0.000 0.222 249 Q C -0.546 175.448 176.000 -0.010 0.000 1.003 249 Q CA -0.291 55.514 55.803 0.003 0.000 0.936 249 Q CB 0.716 29.466 28.738 0.020 0.000 1.204 249 Q HN 0.271 nan 8.270 nan 0.000 0.524 250 D N 1.470 121.849 120.400 -0.035 0.000 2.443 250 D HA 0.227 4.873 4.640 0.009 0.000 0.221 250 D C -0.945 175.315 176.300 -0.067 0.000 1.097 250 D CA -0.062 53.903 54.000 -0.058 0.000 0.865 250 D CB 1.138 41.881 40.800 -0.094 0.000 1.034 250 D HN 0.122 nan 8.370 nan 0.000 0.511 251 V N 2.465 122.351 119.914 -0.047 0.000 2.617 251 V HA 0.361 4.487 4.120 0.009 0.000 0.298 251 V C 0.600 176.643 176.094 -0.086 0.000 1.048 251 V CA -0.878 61.398 62.300 -0.041 0.000 0.964 251 V CB 2.146 33.991 31.823 0.037 0.000 1.004 251 V HN 0.350 nan 8.190 nan 0.000 0.466 252 L N 4.290 125.450 121.223 -0.105 0.000 2.275 252 L HA 0.548 4.893 4.340 0.009 0.000 0.288 252 L C -0.756 175.945 176.870 -0.282 0.000 1.046 252 L CA -0.529 54.169 54.840 -0.238 0.000 0.805 252 L CB 1.567 43.478 42.059 -0.247 0.000 1.193 252 L HN 0.548 nan 8.230 nan 0.000 0.426 253 L N 4.489 125.476 121.223 -0.393 0.000 2.342 253 L HA 0.504 4.849 4.340 0.009 0.000 0.276 253 L C -1.200 175.423 176.870 -0.411 0.000 0.997 253 L CA 0.122 54.791 54.840 -0.285 0.000 0.838 253 L CB 1.089 43.052 42.059 -0.159 0.000 1.224 253 L HN 0.206 nan 8.230 nan 0.000 0.416 254 F N 5.823 125.774 119.950 0.001 0.000 2.404 254 F HA 0.528 5.060 4.527 0.009 0.000 0.345 254 F C 0.230 175.900 175.800 -0.217 0.000 1.110 254 F CA -0.341 57.645 58.000 -0.023 0.000 1.130 254 F CB 1.118 40.244 39.000 0.209 0.000 1.129 254 F HN 0.255 nan 8.300 nan 0.000 0.500 255 I N 3.321 123.860 120.570 -0.053 0.000 2.382 255 I HA 0.248 4.424 4.170 0.009 0.000 0.286 255 I C -1.100 174.933 176.117 -0.140 0.000 1.002 255 I CA -0.442 60.750 61.300 -0.179 0.000 1.135 255 I CB 1.593 39.479 38.000 -0.189 0.000 1.288 255 I HN 0.471 nan 8.210 nan 0.000 0.448 256 D N 6.575 126.833 120.400 -0.236 0.000 2.476 256 D HA 0.265 4.911 4.640 0.009 0.000 0.251 256 D C -1.112 175.148 176.300 -0.066 0.000 1.291 256 D CA -0.346 53.596 54.000 -0.096 0.000 0.939 256 D CB 1.441 42.245 40.800 0.005 0.000 1.221 256 D HN 0.718 nan 8.370 nan 0.000 0.567 257 N N 2.157 120.862 118.700 0.009 0.000 2.328 257 N HA 0.283 5.028 4.740 0.009 0.000 0.299 257 N C 0.646 176.200 175.510 0.075 0.000 1.179 257 N CA -0.772 52.302 53.050 0.040 0.000 0.793 257 N CB 1.762 40.300 38.487 0.085 0.000 1.366 257 N HN 0.077 nan 8.380 nan 0.000 0.493 258 I N 1.017 121.621 120.570 0.056 0.000 2.454 258 I HA -0.044 4.131 4.170 0.009 0.000 0.254 258 I C 1.361 177.596 176.117 0.197 0.000 1.156 258 I CA 0.954 62.298 61.300 0.073 0.000 1.433 258 I CB -0.550 37.434 38.000 -0.026 0.000 1.082 258 I HN 0.756 nan 8.210 nan 0.000 0.432 259 F N 1.253 121.261 119.950 0.096 0.000 2.234 259 F HA -0.129 4.404 4.527 0.011 0.000 0.299 259 F C 2.336 178.211 175.800 0.125 0.000 1.087 259 F CA 1.467 59.549 58.000 0.137 0.000 1.340 259 F CB -0.251 38.860 39.000 0.185 0.000 1.031 259 F HN -0.055 nan 8.300 nan 0.000 0.500 260 R N -1.077 119.464 120.500 0.069 0.000 2.275 260 R HA -0.048 4.297 4.340 0.009 0.000 0.199 260 R C 1.970 178.241 176.300 -0.049 0.000 0.989 260 R CA 0.773 56.850 56.100 -0.038 0.000 1.016 260 R CB -0.509 29.830 30.300 0.064 0.000 0.918 260 R HN 0.417 nan 8.270 nan 0.000 0.473 261 F N 1.296 121.175 119.950 -0.119 0.000 2.163 261 F HA -0.091 4.443 4.527 0.011 0.000 0.297 261 F C 1.962 177.687 175.800 -0.125 0.000 1.094 261 F CA 1.349 59.288 58.000 -0.102 0.000 1.290 261 F CB -0.274 38.676 39.000 -0.082 0.000 1.017 261 F HN -0.215 nan 8.300 nan 0.000 0.483 262 T N 0.675 115.086 114.554 -0.238 0.000 2.643 262 T HA -0.198 4.157 4.350 0.009 0.000 0.264 262 T C 1.875 176.369 174.700 -0.343 0.000 1.045 262 T CA 1.668 63.572 62.100 -0.327 0.000 1.155 262 T CB -0.314 68.431 68.868 -0.205 0.000 0.863 262 T HN 0.233 nan 8.240 nan 0.000 0.420 263 Q N 0.714 120.252 119.800 -0.437 0.000 2.096 263 Q HA -0.020 4.326 4.340 0.009 0.000 0.204 263 Q C 2.669 178.536 176.000 -0.220 0.000 0.982 263 Q CA 1.642 57.246 55.803 -0.331 0.000 0.850 263 Q CB -0.851 27.648 28.738 -0.398 0.000 0.901 263 Q HN 0.576 nan 8.270 nan 0.000 0.422 264 A N 0.459 123.143 122.820 -0.226 0.000 1.940 264 A HA -0.104 4.221 4.320 0.009 0.000 0.219 264 A C 2.325 179.792 177.584 -0.195 0.000 1.176 264 A CA 1.859 53.792 52.037 -0.173 0.000 0.631 264 A CB -0.988 17.925 19.000 -0.145 0.000 0.814 264 A HN 0.461 nan 8.150 nan 0.000 0.446 265 G N -1.283 107.336 108.800 -0.302 0.000 2.421 265 G HA2 -0.107 3.858 3.960 0.009 0.000 0.217 265 G HA3 -0.107 3.858 3.960 0.009 0.000 0.217 265 G C 1.850 176.655 174.900 -0.159 0.000 1.143 265 G CA 1.324 46.258 45.100 -0.277 0.000 0.784 265 G HN 0.557 nan 8.290 nan 0.000 0.541 266 S N 0.252 115.872 115.700 -0.133 0.000 2.383 266 S HA -0.085 4.390 4.470 0.009 0.000 0.227 266 S C 2.225 176.778 174.600 -0.077 0.000 1.026 266 S CA 1.796 59.953 58.200 -0.073 0.000 0.981 266 S CB -0.189 62.973 63.200 -0.064 0.000 0.818 266 S HN 0.583 nan 8.310 nan 0.000 0.472 267 E N 0.036 120.183 120.200 -0.089 0.000 2.112 267 E HA -0.037 4.318 4.350 0.009 0.000 0.190 267 E C 2.148 178.716 176.600 -0.054 0.000 0.979 267 E CA 1.075 57.434 56.400 -0.068 0.000 0.814 267 E CB -0.154 29.507 29.700 -0.066 0.000 0.762 267 E HN 0.321 nan 8.360 nan 0.000 0.460 268 V N 0.915 120.791 119.914 -0.062 0.000 2.233 268 V HA -0.305 3.820 4.120 0.009 0.000 0.247 268 V C 2.414 178.485 176.094 -0.039 0.000 1.050 268 V CA 2.033 64.305 62.300 -0.047 0.000 1.010 268 V CB -0.625 31.164 31.823 -0.057 0.000 0.637 268 V HN 0.273 nan 8.190 nan 0.000 0.444 269 S N -0.426 115.246 115.700 -0.046 0.000 2.380 269 S HA -0.284 4.191 4.470 0.009 0.000 0.229 269 S C 2.076 176.661 174.600 -0.025 0.000 1.043 269 S CA 1.948 60.129 58.200 -0.032 0.000 1.038 269 S CB -0.418 62.764 63.200 -0.029 0.000 0.872 269 S HN 0.654 nan 8.310 nan 0.000 0.456 270 A N 0.875 123.676 122.820 -0.031 0.000 1.930 270 A HA 0.113 4.439 4.320 0.009 0.000 0.217 270 A C 2.147 179.719 177.584 -0.020 0.000 1.175 270 A CA 1.173 53.195 52.037 -0.026 0.000 0.627 270 A CB -0.597 18.383 19.000 -0.034 0.000 0.815 270 A HN 0.577 nan 8.150 nan 0.000 0.443 271 L N -0.756 120.455 121.223 -0.020 0.000 2.201 271 L HA -0.053 4.292 4.340 0.009 0.000 0.212 271 L C 1.875 178.740 176.870 -0.008 0.000 1.105 271 L CA 0.611 55.443 54.840 -0.013 0.000 0.775 271 L CB -0.388 41.664 42.059 -0.013 0.000 0.913 271 L HN 0.332 nan 8.230 nan 0.000 0.440 272 L N -0.144 121.074 121.223 -0.009 0.000 2.610 272 L HA 0.091 4.436 4.340 0.009 0.000 0.232 272 L C 1.478 178.347 176.870 -0.003 0.000 1.149 272 L CA 0.527 55.365 54.840 -0.004 0.000 0.872 272 L CB -0.499 41.556 42.059 -0.006 0.000 0.992 272 L HN 0.487 nan 8.230 nan 0.000 0.447 273 G N 0.366 109.163 108.800 -0.005 0.000 2.159 273 G HA2 -0.295 3.670 3.960 0.009 0.000 0.256 273 G HA3 -0.295 3.670 3.960 0.009 0.000 0.256 273 G C 0.410 175.308 174.900 -0.003 0.000 0.977 273 G CA -0.122 44.976 45.100 -0.003 0.000 0.652 273 G HN 0.379 nan 8.290 nan 0.000 0.531 274 R N -0.367 120.130 120.500 -0.005 0.000 2.679 274 R HA 0.511 4.856 4.340 0.009 0.000 0.269 274 R C 0.903 177.202 176.300 -0.002 0.000 1.076 274 R CA -0.315 55.784 56.100 -0.003 0.000 1.160 274 R CB 0.621 30.919 30.300 -0.004 0.000 1.054 274 R HN 0.319 nan 8.270 nan 0.000 0.507 275 I N 3.736 124.307 120.570 0.002 0.000 2.471 275 I HA 0.125 4.301 4.170 0.009 0.000 0.286 275 I C -1.832 174.290 176.117 0.008 0.000 1.079 275 I CA -2.020 59.282 61.300 0.004 0.000 1.398 275 I CB 0.728 38.732 38.000 0.007 0.000 1.403 275 I HN 0.254 nan 8.210 nan 0.000 0.530 276 P HA 0.052 nan 4.420 nan 0.000 0.269 276 P C -0.325 176.992 177.300 0.028 0.000 1.215 276 P CA -0.063 63.044 63.100 0.011 0.000 0.780 276 P CB 0.805 32.501 31.700 -0.006 0.000 0.898 277 S N 1.375 117.107 115.700 0.053 0.000 2.748 277 S HA 0.674 5.149 4.470 0.009 0.000 0.299 277 S C -0.398 174.257 174.600 0.092 0.000 1.119 277 S CA -0.512 57.729 58.200 0.069 0.000 0.997 277 S CB 0.233 63.482 63.200 0.081 0.000 1.223 277 S HN 0.520 nan 8.310 nan 0.000 0.541 278 A N 0.699 123.580 122.820 0.102 0.000 2.600 278 A HA 0.305 4.630 4.320 0.009 0.000 0.244 278 A C 1.071 178.764 177.584 0.182 0.000 1.016 278 A CA 0.679 52.786 52.037 0.117 0.000 0.778 278 A CB -1.372 17.693 19.000 0.108 0.000 0.920 278 A HN 1.800 nan 8.150 nan 0.000 0.513 279 V N 1.075 121.058 119.914 0.115 0.000 4.032 279 V HA -0.289 3.836 4.120 0.009 0.000 0.231 279 V C 1.809 177.857 176.094 -0.077 0.000 0.429 279 V CA 1.425 63.774 62.300 0.082 0.000 0.934 279 V CB -2.511 29.438 31.823 0.211 0.000 1.004 279 V HN 2.969 nan 8.190 nan 0.000 1.283 280 G N -2.220 106.553 108.800 -0.045 0.000 2.148 280 G HA2 -0.335 3.630 3.960 0.009 0.000 0.254 280 G HA3 -0.335 3.630 3.960 0.009 0.000 0.254 280 G C -0.188 174.598 174.900 -0.191 0.000 0.981 280 G CA 0.405 45.433 45.100 -0.121 0.000 0.670 280 G HN 1.003 nan 8.290 nan 0.000 0.528 281 Y N 1.600 121.907 120.300 0.012 0.000 2.336 281 Y HA 0.395 4.949 4.550 0.008 0.000 0.331 281 Y C 1.446 177.336 175.900 -0.017 0.000 1.211 281 Y CA -0.224 57.871 58.100 -0.007 0.000 1.346 281 Y CB 0.610 39.073 38.460 0.006 0.000 1.271 281 Y HN 0.432 nan 8.280 nan 0.000 0.538 282 Q N 3.302 123.179 119.800 0.129 0.000 2.342 282 Q HA -0.102 4.244 4.340 0.009 0.000 0.330 282 Q C -2.351 173.688 176.000 0.065 0.000 1.117 282 Q CA -0.703 55.135 55.803 0.058 0.000 1.010 282 Q CB 0.347 29.093 28.738 0.014 0.000 1.204 282 Q HN 0.431 nan 8.270 nan 0.000 0.400 283 P HA -0.061 nan 4.420 nan 0.000 0.223 283 P C 0.812 178.128 177.300 0.027 0.000 1.151 283 P CA 1.585 64.706 63.100 0.035 0.000 0.787 283 P CB -0.003 31.711 31.700 0.023 0.000 0.788 284 T N -3.403 111.162 114.554 0.017 0.000 3.312 284 T HA 0.128 4.483 4.350 0.009 0.000 0.251 284 T C 1.326 176.034 174.700 0.013 0.000 1.012 284 T CA -0.286 61.822 62.100 0.012 0.000 0.925 284 T CB -0.966 67.902 68.868 0.001 0.000 1.049 284 T HN -0.147 nan 8.240 nan 0.000 0.583 285 L N 1.857 123.091 121.223 0.018 0.000 1.971 285 L HA -0.002 4.343 4.340 0.009 0.000 0.215 285 L C 2.681 179.567 176.870 0.026 0.000 1.072 285 L CA 2.387 57.230 54.840 0.005 0.000 0.758 285 L CB -1.219 40.832 42.059 -0.013 0.000 0.889 285 L HN 0.374 nan 8.230 nan 0.000 0.433 286 A N -1.469 121.374 122.820 0.038 0.000 1.898 286 A HA -0.176 4.150 4.320 0.009 0.000 0.216 286 A C 2.285 179.924 177.584 0.092 0.000 1.181 286 A CA 2.336 54.416 52.037 0.071 0.000 0.620 286 A CB -1.308 17.725 19.000 0.056 0.000 0.819 286 A HN 0.666 nan 8.150 nan 0.000 0.442 287 T N -1.692 112.901 114.554 0.064 0.000 2.770 287 T HA -0.132 4.223 4.350 0.009 0.000 0.263 287 T C 1.414 176.160 174.700 0.076 0.000 1.039 287 T CA 1.251 63.389 62.100 0.064 0.000 1.142 287 T CB -0.590 68.303 68.868 0.041 0.000 0.868 287 T HN 0.352 nan 8.240 nan 0.000 0.435 288 D N 1.219 121.657 120.400 0.065 0.000 2.157 288 D HA -0.155 4.490 4.640 0.009 0.000 0.191 288 D C 1.940 178.375 176.300 0.224 0.000 1.004 288 D CA 1.536 55.589 54.000 0.088 0.000 0.854 288 D CB -0.443 40.343 40.800 -0.023 0.000 0.936 288 D HN 0.347 nan 8.370 nan 0.000 0.446 289 M N 0.646 120.376 119.600 0.215 0.000 2.099 289 M HA 0.006 4.491 4.480 0.009 0.000 0.262 289 M C 2.051 178.362 176.300 0.020 0.000 1.067 289 M CA 2.117 57.552 55.300 0.225 0.000 1.124 289 M CB -0.734 31.981 32.600 0.193 0.000 1.353 289 M HN -0.002 nan 8.290 nan 0.000 0.410 290 G N -1.201 107.642 108.800 0.072 0.000 2.446 290 G HA2 -0.255 3.710 3.960 0.009 0.000 0.217 290 G HA3 -0.255 3.710 3.960 0.009 0.000 0.217 290 G C 1.457 176.352 174.900 -0.009 0.000 1.168 290 G CA 1.632 46.760 45.100 0.046 0.000 0.771 290 G HN 0.616 nan 8.290 nan 0.000 0.551 291 T N -1.851 112.722 114.554 0.032 0.000 2.962 291 T HA 0.034 4.389 4.350 0.009 0.000 0.270 291 T C 2.145 176.846 174.700 0.001 0.000 1.088 291 T CA 1.349 63.467 62.100 0.030 0.000 1.127 291 T CB -0.041 68.864 68.868 0.061 0.000 0.883 291 T HN 0.158 nan 8.240 nan 0.000 0.493 292 M N 0.329 119.909 119.600 -0.032 0.000 2.299 292 M HA 0.070 4.555 4.480 0.009 0.000 0.264 292 M C 2.167 178.341 176.300 -0.211 0.000 1.095 292 M CA 1.209 56.435 55.300 -0.123 0.000 1.165 292 M CB -0.520 31.947 32.600 -0.222 0.000 1.349 292 M HN 0.138 nan 8.290 nan 0.000 0.446 293 Q N 0.661 120.282 119.800 -0.300 0.000 2.084 293 Q HA -0.140 4.205 4.340 0.009 0.000 0.202 293 Q C 1.790 177.660 176.000 -0.216 0.000 0.978 293 Q CA 1.316 56.895 55.803 -0.373 0.000 0.844 293 Q CB -0.487 27.763 28.738 -0.814 0.000 0.898 293 Q HN 0.554 nan 8.270 nan 0.000 0.426 294 E N 0.605 120.721 120.200 -0.140 0.000 2.265 294 E HA -0.137 4.218 4.350 0.009 0.000 0.196 294 E C 1.923 178.495 176.600 -0.047 0.000 0.996 294 E CA 0.482 56.855 56.400 -0.046 0.000 0.832 294 E CB -0.067 29.637 29.700 0.007 0.000 0.756 294 E HN 0.312 nan 8.360 nan 0.000 0.491 295 R N 0.165 120.626 120.500 -0.065 0.000 2.148 295 R HA 0.018 4.363 4.340 0.009 0.000 0.227 295 R C 0.856 177.117 176.300 -0.066 0.000 1.103 295 R CA 0.359 56.426 56.100 -0.055 0.000 0.983 295 R CB -0.098 30.169 30.300 -0.055 0.000 0.874 295 R HN 0.062 nan 8.270 nan 0.000 0.451 296 I N 1.287 121.802 120.570 -0.092 0.000 2.406 296 I HA 0.017 4.192 4.170 0.009 0.000 0.293 296 I C 0.235 176.309 176.117 -0.073 0.000 1.101 296 I CA 0.635 61.878 61.300 -0.095 0.000 1.334 296 I CB 1.013 38.934 38.000 -0.132 0.000 1.421 296 I HN -0.012 nan 8.210 nan 0.000 0.513 297 T N 2.990 117.507 114.554 -0.063 0.000 2.669 297 T HA 0.205 4.560 4.350 0.009 0.000 0.305 297 T C -0.961 173.708 174.700 -0.052 0.000 1.838 297 T CA -0.686 61.382 62.100 -0.053 0.000 0.978 297 T CB 1.019 69.861 68.868 -0.042 0.000 1.851 297 T HN 0.379 nan 8.240 nan 0.000 0.503 298 T N 2.899 117.422 114.554 -0.052 0.000 2.749 298 T HA 0.566 4.922 4.350 0.009 0.000 0.295 298 T C 0.699 175.366 174.700 -0.054 0.000 0.936 298 T CA -0.461 61.608 62.100 -0.051 0.000 1.060 298 T CB 0.735 69.572 68.868 -0.051 0.000 0.904 298 T HN 0.822 nan 8.240 nan 0.000 0.500 299 T N 0.482 115.006 114.554 -0.049 0.000 2.880 299 T HA 0.421 4.777 4.350 0.009 0.000 0.279 299 T C 1.149 175.820 174.700 -0.048 0.000 0.990 299 T CA -1.032 61.038 62.100 -0.050 0.000 0.938 299 T CB 1.149 69.992 68.868 -0.043 0.000 1.206 299 T HN 0.415 nan 8.240 nan 0.000 0.573 300 K N -0.298 120.074 120.400 -0.047 0.000 2.365 300 K HA 0.074 4.399 4.320 0.009 0.000 0.199 300 K C 2.094 178.674 176.600 -0.034 0.000 1.045 300 K CA 0.636 56.898 56.287 -0.041 0.000 0.962 300 K CB 0.015 32.492 32.500 -0.039 0.000 0.759 300 K HN 0.469 nan 8.250 nan 0.000 0.469 301 K N -0.361 120.017 120.400 -0.035 0.000 2.202 301 K HA 0.046 4.371 4.320 0.009 0.000 0.201 301 K C 0.690 177.272 176.600 -0.032 0.000 1.051 301 K CA 0.568 56.835 56.287 -0.034 0.000 0.977 301 K CB 0.771 33.247 32.500 -0.041 0.000 0.792 301 K HN 0.194 nan 8.250 nan 0.000 0.469 302 G N -0.482 108.299 108.800 -0.032 0.000 2.427 302 G HA2 0.272 4.237 3.960 0.009 0.000 0.306 302 G HA3 0.272 4.237 3.960 0.009 0.000 0.306 302 G C -1.622 173.258 174.900 -0.034 0.000 1.280 302 G CA -0.427 44.655 45.100 -0.029 0.000 0.837 302 G HN 0.093 nan 8.290 nan 0.000 0.482 303 S N -1.304 114.375 115.700 -0.034 0.000 2.546 303 S HA 0.790 5.265 4.470 0.009 0.000 0.274 303 S C -1.163 173.411 174.600 -0.043 0.000 1.121 303 S CA -0.738 57.435 58.200 -0.045 0.000 0.887 303 S CB 1.848 65.014 63.200 -0.057 0.000 1.094 303 S HN 0.769 nan 8.310 nan 0.000 0.474 304 I N 2.340 122.879 120.570 -0.052 0.000 2.389 304 I HA 0.381 4.556 4.170 0.009 0.000 0.288 304 I C -0.396 175.662 176.117 -0.098 0.000 0.999 304 I CA -0.367 60.895 61.300 -0.064 0.000 1.129 304 I CB 2.188 40.157 38.000 -0.052 0.000 1.288 304 I HN 0.664 nan 8.210 nan 0.000 0.444 305 T N 3.776 118.254 114.554 -0.126 0.000 2.824 305 T HA 0.367 4.722 4.350 0.009 0.000 0.280 305 T C -0.295 174.268 174.700 -0.230 0.000 0.995 305 T CA -0.578 61.426 62.100 -0.159 0.000 1.009 305 T CB 1.632 70.419 68.868 -0.134 0.000 0.955 305 T HN 0.482 nan 8.240 nan 0.000 0.452 306 S N 1.837 117.386 115.700 -0.251 0.000 2.519 306 S HA 0.580 5.056 4.470 0.009 0.000 0.309 306 S C -0.691 173.724 174.600 -0.309 0.000 1.100 306 S CA -0.619 57.406 58.200 -0.292 0.000 1.059 306 S CB 0.756 63.816 63.200 -0.233 0.000 1.008 306 S HN 0.479 nan 8.310 nan 0.000 0.478 307 V N 6.023 125.737 119.914 -0.333 0.000 2.350 307 V HA 0.435 4.560 4.120 0.009 0.000 0.276 307 V C -0.390 175.690 176.094 -0.023 0.000 1.028 307 V CA -0.345 61.864 62.300 -0.153 0.000 0.860 307 V CB 1.233 33.083 31.823 0.044 0.000 0.990 307 V HN 0.856 nan 8.190 nan 0.000 0.453 308 Q N 3.511 123.265 119.800 -0.077 0.000 2.333 308 Q HA 0.705 5.050 4.340 0.009 0.000 0.268 308 Q C -0.295 175.649 176.000 -0.093 0.000 1.007 308 Q CA -0.523 55.227 55.803 -0.088 0.000 0.810 308 Q CB 2.359 31.004 28.738 -0.155 0.000 1.264 308 Q HN 0.835 nan 8.270 nan 0.000 0.452 309 A N 4.338 127.131 122.820 -0.044 0.000 2.362 309 A HA 0.480 4.805 4.320 0.009 0.000 0.276 309 A C -0.239 177.275 177.584 -0.117 0.000 1.153 309 A CA -0.322 51.678 52.037 -0.062 0.000 0.813 309 A CB 0.209 19.228 19.000 0.031 0.000 1.081 309 A HN 0.663 nan 8.150 nan 0.000 0.507 310 I N 2.106 122.503 120.570 -0.288 0.000 2.441 310 I HA 0.256 4.432 4.170 0.009 0.000 0.295 310 I C -0.756 175.292 176.117 -0.115 0.000 0.994 310 I CA -0.395 60.742 61.300 -0.272 0.000 1.144 310 I CB 1.353 38.974 38.000 -0.632 0.000 1.314 310 I HN 0.752 nan 8.210 nan 0.000 0.445 311 Y N 5.499 125.749 120.300 -0.083 0.000 2.331 311 Y HA 0.488 5.043 4.550 0.009 0.000 0.338 311 Y C -0.637 175.184 175.900 -0.132 0.000 0.992 311 Y CA -0.643 57.383 58.100 -0.123 0.000 1.121 311 Y CB 1.621 39.948 38.460 -0.221 0.000 1.184 311 Y HN 0.294 nan 8.280 nan 0.000 0.469 312 V N 9.355 128.955 119.914 -0.524 0.000 2.318 312 V HA 0.283 4.408 4.120 0.009 0.000 0.271 312 V C -2.080 173.681 176.094 -0.555 0.000 1.030 312 V CA -2.001 60.114 62.300 -0.307 0.000 0.844 312 V CB 0.506 32.311 31.823 -0.031 0.000 1.015 312 V HN 0.696 nan 8.190 nan 0.000 0.460 313 P HA 0.056 nan 4.420 nan 0.000 0.262 313 P C 0.638 177.907 177.300 -0.050 0.000 1.182 313 P CA 0.961 64.007 63.100 -0.091 0.000 0.761 313 P CB 0.855 32.627 31.700 0.120 0.000 0.795 314 A N 3.582 126.385 122.820 -0.029 0.000 2.861 314 A HA -0.249 4.077 4.320 0.009 0.000 0.261 314 A C 0.843 178.407 177.584 -0.033 0.000 1.351 314 A CA 1.250 53.285 52.037 -0.003 0.000 0.904 314 A CB -2.570 16.452 19.000 0.037 0.000 1.076 314 A HN 0.616 nan 8.150 nan 0.000 0.729 315 D N -1.204 119.141 120.400 -0.092 0.000 2.811 315 D HA -0.189 4.456 4.640 0.009 0.000 0.231 315 D C -0.275 176.005 176.300 -0.033 0.000 1.157 315 D CA 1.867 55.822 54.000 -0.076 0.000 0.716 315 D CB -0.940 39.827 40.800 -0.055 0.000 1.077 315 D HN 0.892 nan 8.370 nan 0.000 0.428 316 D N 0.352 120.744 120.400 -0.014 0.000 2.454 316 D HA 0.263 4.908 4.640 0.009 0.000 0.225 316 D C 1.435 177.754 176.300 0.031 0.000 1.081 316 D CA -0.526 53.482 54.000 0.013 0.000 0.864 316 D CB 0.469 41.291 40.800 0.037 0.000 1.040 316 D HN 0.071 nan 8.370 nan 0.000 0.517 317 L N 2.415 123.641 121.223 0.004 0.000 2.456 317 L HA -0.058 4.287 4.340 0.009 0.000 0.224 317 L C 2.129 178.992 176.870 -0.011 0.000 1.148 317 L CA 1.248 56.081 54.840 -0.012 0.000 0.825 317 L CB -0.249 41.742 42.059 -0.115 0.000 0.937 317 L HN 0.466 nan 8.230 nan 0.000 0.450 318 T N -4.758 109.798 114.554 0.004 0.000 3.086 318 T HA -0.009 4.346 4.350 0.009 0.000 0.250 318 T C 0.679 175.409 174.700 0.050 0.000 1.074 318 T CA -0.516 61.593 62.100 0.014 0.000 0.988 318 T CB -0.225 68.645 68.868 0.003 0.000 0.988 318 T HN 0.128 nan 8.240 nan 0.000 0.530 319 D N 2.477 122.925 120.400 0.080 0.000 2.458 319 D HA 0.070 4.715 4.640 0.009 0.000 0.243 319 D C -1.433 174.912 176.300 0.075 0.000 1.146 319 D CA -1.552 52.523 54.000 0.126 0.000 0.877 319 D CB 1.708 42.619 40.800 0.185 0.000 1.176 319 D HN 0.024 nan 8.370 nan 0.000 0.461 320 P HA -0.228 nan 4.420 nan 0.000 0.218 320 P C 0.896 178.044 177.300 -0.252 0.000 1.154 320 P CA 2.093 65.113 63.100 -0.132 0.000 0.872 320 P CB 0.137 31.714 31.700 -0.204 0.000 0.790 321 A N -0.020 122.579 122.820 -0.367 0.000 1.835 321 A HA -0.139 4.186 4.320 0.009 0.000 0.215 321 A C 0.033 177.673 177.584 0.093 0.000 1.199 321 A CA 2.462 54.396 52.037 -0.172 0.000 0.615 321 A CB -2.291 16.784 19.000 0.125 0.000 0.838 321 A HN 0.228 nan 8.150 nan 0.000 0.444 322 P HA -0.108 nan 4.420 nan 0.000 0.217 322 P C 1.657 179.178 177.300 0.368 0.000 1.150 322 P CA 1.939 65.224 63.100 0.309 0.000 0.832 322 P CB -0.239 31.670 31.700 0.347 0.000 0.787 323 A N 0.417 123.361 122.820 0.207 0.000 1.869 323 A HA -0.234 4.091 4.320 0.009 0.000 0.218 323 A C 2.416 180.089 177.584 0.148 0.000 1.203 323 A CA 3.152 55.276 52.037 0.146 0.000 0.638 323 A CB -2.089 16.945 19.000 0.057 0.000 0.831 323 A HN 0.216 nan 8.150 nan 0.000 0.450 324 T N -0.258 114.349 114.554 0.087 0.000 2.720 324 T HA -0.130 4.225 4.350 0.009 0.000 0.268 324 T C 2.006 176.791 174.700 0.142 0.000 1.037 324 T CA 1.958 64.106 62.100 0.080 0.000 1.144 324 T CB -0.651 68.238 68.868 0.035 0.000 0.864 324 T HN 0.628 nan 8.240 nan 0.000 0.444 325 T N 1.647 116.294 114.554 0.154 0.000 2.674 325 T HA -0.051 4.304 4.350 0.009 0.000 0.265 325 T C 1.599 176.359 174.700 0.100 0.000 1.039 325 T CA 1.103 63.276 62.100 0.122 0.000 1.150 325 T CB -0.697 68.195 68.868 0.039 0.000 0.864 325 T HN 0.297 nan 8.240 nan 0.000 0.427 326 F N 1.708 121.706 119.950 0.079 0.000 2.236 326 F HA -0.095 4.437 4.527 0.008 0.000 0.302 326 F C 2.553 178.362 175.800 0.015 0.000 1.073 326 F CA 0.709 58.748 58.000 0.065 0.000 1.336 326 F CB -0.493 38.547 39.000 0.068 0.000 1.040 326 F HN 0.147 nan 8.300 nan 0.000 0.507 327 A N -1.205 121.683 122.820 0.114 0.000 2.076 327 A HA -0.202 4.123 4.320 0.009 0.000 0.220 327 A C 1.719 179.176 177.584 -0.212 0.000 1.160 327 A CA 1.651 53.640 52.037 -0.080 0.000 0.653 327 A CB -0.761 18.121 19.000 -0.196 0.000 0.801 327 A HN 0.477 nan 8.150 nan 0.000 0.455 328 H N -1.285 117.797 119.070 0.020 0.000 2.622 328 H HA 0.310 4.871 4.556 0.008 0.000 0.269 328 H C 0.003 175.303 175.328 -0.046 0.000 0.977 328 H CA -0.077 55.958 56.048 -0.020 0.000 1.179 328 H CB 0.100 29.835 29.762 -0.046 0.000 1.458 328 H HN 0.329 nan 8.280 nan 0.000 0.531 329 L N 1.280 122.527 121.223 0.039 0.000 2.350 329 L HA 0.137 4.482 4.340 0.009 0.000 0.275 329 L C 0.827 177.711 176.870 0.023 0.000 1.099 329 L CA -0.033 54.796 54.840 -0.018 0.000 0.808 329 L CB 1.244 43.239 42.059 -0.107 0.000 1.149 329 L HN 0.040 nan 8.230 nan 0.000 0.442 330 D N 1.580 121.978 120.400 -0.003 0.000 2.407 330 D HA 0.313 4.958 4.640 0.009 0.000 0.208 330 D C 0.165 176.486 176.300 0.035 0.000 1.083 330 D CA 0.358 54.368 54.000 0.016 0.000 0.844 330 D CB 1.530 42.328 40.800 -0.004 0.000 0.967 330 D HN 0.595 nan 8.370 nan 0.000 0.506 331 A N 0.511 123.348 122.820 0.028 0.000 2.599 331 A HA 0.513 4.838 4.320 0.009 0.000 0.294 331 A C -0.823 176.814 177.584 0.088 0.000 1.055 331 A CA -0.666 51.414 52.037 0.072 0.000 0.683 331 A CB 1.454 20.508 19.000 0.090 0.000 1.278 331 A HN -0.042 nan 8.150 nan 0.000 0.412 332 T N -0.773 113.879 114.554 0.164 0.000 2.848 332 T HA 0.714 5.069 4.350 0.009 0.000 0.285 332 T C -0.486 174.361 174.700 0.245 0.000 0.995 332 T CA -0.405 61.839 62.100 0.240 0.000 0.970 332 T CB 1.360 70.402 68.868 0.291 0.000 0.976 332 T HN 0.731 nan 8.240 nan 0.000 0.441 333 T N 3.065 117.792 114.554 0.289 0.000 2.749 333 T HA 0.511 4.866 4.350 0.009 0.000 0.287 333 T C -0.090 174.791 174.700 0.303 0.000 0.970 333 T CA -0.590 61.680 62.100 0.283 0.000 0.980 333 T CB 0.968 70.028 68.868 0.321 0.000 0.924 333 T HN 0.635 nan 8.240 nan 0.000 0.456 334 V N 5.525 125.566 119.914 0.213 0.000 2.347 334 V HA 0.358 4.483 4.120 0.009 0.000 0.280 334 V C -0.030 176.159 176.094 0.158 0.000 1.021 334 V CA -0.770 61.642 62.300 0.186 0.000 0.847 334 V CB 1.016 32.864 31.823 0.042 0.000 0.990 334 V HN 0.764 nan 8.190 nan 0.000 0.444 335 L N 4.506 125.838 121.223 0.182 0.000 2.257 335 L HA 0.512 4.857 4.340 0.009 0.000 0.290 335 L C 0.371 177.313 176.870 0.119 0.000 1.044 335 L CA 0.222 55.150 54.840 0.147 0.000 0.810 335 L CB 1.551 43.704 42.059 0.157 0.000 1.193 335 L HN 0.668 nan 8.230 nan 0.000 0.425 336 S N 2.737 118.491 115.700 0.090 0.000 2.501 336 S HA 0.372 4.847 4.470 0.009 0.000 0.301 336 S C 0.843 175.480 174.600 0.063 0.000 1.096 336 S CA -0.665 57.576 58.200 0.067 0.000 1.063 336 S CB 1.898 65.124 63.200 0.043 0.000 1.042 336 S HN 0.725 nan 8.310 nan 0.000 0.494 337 R N 2.592 123.126 120.500 0.056 0.000 2.115 337 R HA 0.028 4.373 4.340 0.009 0.000 0.226 337 R C 2.235 178.556 176.300 0.036 0.000 1.100 337 R CA 1.409 57.541 56.100 0.053 0.000 0.980 337 R CB -0.597 29.732 30.300 0.048 0.000 0.875 337 R HN 0.792 nan 8.270 nan 0.000 0.445 338 A N 1.480 124.315 122.820 0.024 0.000 1.873 338 A HA -0.185 4.141 4.320 0.009 0.000 0.218 338 A C 1.965 179.549 177.584 -0.000 0.000 1.193 338 A CA 1.449 53.492 52.037 0.010 0.000 0.629 338 A CB -0.481 18.522 19.000 0.005 0.000 0.826 338 A HN 0.237 nan 8.150 nan 0.000 0.447 339 I N -0.096 120.475 120.570 0.002 0.000 2.315 339 I HA -0.193 3.983 4.170 0.009 0.000 0.248 339 I C 2.870 178.947 176.117 -0.067 0.000 1.117 339 I CA 1.327 62.614 61.300 -0.023 0.000 1.404 339 I CB -1.826 36.169 38.000 -0.007 0.000 1.071 339 I HN 0.358 nan 8.210 nan 0.000 0.419 340 A N 0.812 123.622 122.820 -0.018 0.000 1.877 340 A HA -0.195 4.131 4.320 0.009 0.000 0.216 340 A C 2.197 179.767 177.584 -0.024 0.000 1.186 340 A CA 1.380 53.419 52.037 0.005 0.000 0.620 340 A CB -0.718 18.377 19.000 0.158 0.000 0.822 340 A HN 0.443 nan 8.150 nan 0.000 0.443 341 E N -0.737 119.466 120.200 0.006 0.000 2.463 341 E HA -0.048 4.308 4.350 0.009 0.000 0.201 341 E C 0.899 177.479 176.600 -0.034 0.000 1.045 341 E CA 0.401 56.804 56.400 0.005 0.000 0.872 341 E CB -0.154 29.553 29.700 0.011 0.000 0.797 341 E HN 0.602 nan 8.360 nan 0.000 0.538 342 L N -0.899 120.279 121.223 -0.075 0.000 2.667 342 L HA 0.230 4.576 4.340 0.009 0.000 0.232 342 L C 1.160 177.931 176.870 -0.166 0.000 1.138 342 L CA 0.078 54.861 54.840 -0.094 0.000 0.921 342 L CB 0.627 42.645 42.059 -0.068 0.000 1.180 342 L HN 0.172 nan 8.230 nan 0.000 0.487 343 G N 0.668 109.313 108.800 -0.258 0.000 2.143 343 G HA2 -0.241 3.724 3.960 0.009 0.000 0.248 343 G HA3 -0.241 3.724 3.960 0.009 0.000 0.248 343 G C 0.213 174.724 174.900 -0.648 0.000 0.991 343 G CA -0.301 44.545 45.100 -0.424 0.000 0.689 343 G HN 0.164 nan 8.290 nan 0.000 0.522 344 I N 0.900 121.115 120.570 -0.592 0.000 2.337 344 I HA 0.415 4.591 4.170 0.009 0.000 0.291 344 I C -0.279 175.491 176.117 -0.577 0.000 1.046 344 I CA -0.870 60.189 61.300 -0.401 0.000 1.324 344 I CB 0.022 37.929 38.000 -0.155 0.000 1.409 344 I HN 0.058 nan 8.210 nan 0.000 0.494 345 Y N 7.224 127.483 120.300 -0.068 0.000 2.338 345 Y HA 0.423 4.978 4.550 0.009 0.000 0.333 345 Y C -2.185 173.512 175.900 -0.339 0.000 0.968 345 Y CA -3.330 54.658 58.100 -0.186 0.000 1.123 345 Y CB 1.428 39.760 38.460 -0.212 0.000 1.165 345 Y HN 0.408 nan 8.280 nan 0.000 0.452 346 P HA 0.129 nan 4.420 nan 0.000 0.275 346 P C 0.091 177.432 177.300 0.069 0.000 1.227 346 P CA -0.229 62.873 63.100 0.002 0.000 0.781 346 P CB 1.316 33.073 31.700 0.096 0.000 0.906 347 A N 3.443 126.345 122.820 0.136 0.000 2.081 347 A HA 0.092 4.417 4.320 0.009 0.000 0.213 347 A C 0.666 178.298 177.584 0.081 0.000 1.374 347 A CA -0.006 52.087 52.037 0.093 0.000 1.203 347 A CB -1.354 17.729 19.000 0.137 0.000 0.786 347 A HN 0.400 nan 8.150 nan 0.000 0.535 348 V N 1.369 121.330 119.914 0.078 0.000 2.521 348 V HA 0.020 4.146 4.120 0.009 0.000 0.286 348 V C 0.508 176.634 176.094 0.053 0.000 1.034 348 V CA -0.446 61.904 62.300 0.083 0.000 1.045 348 V CB 0.962 32.839 31.823 0.091 0.000 0.974 348 V HN 0.524 nan 8.190 nan 0.000 0.480 349 D N 8.173 128.605 120.400 0.053 0.000 2.339 349 D HA 0.147 4.793 4.640 0.009 0.000 0.256 349 D C -1.403 174.912 176.300 0.025 0.000 1.214 349 D CA -1.580 52.438 54.000 0.032 0.000 0.877 349 D CB 2.034 42.847 40.800 0.022 0.000 1.111 349 D HN 0.307 nan 8.370 nan 0.000 0.478 350 P HA -0.010 nan 4.420 nan 0.000 0.236 350 P C 1.432 178.729 177.300 -0.006 0.000 1.177 350 P CA 0.299 63.398 63.100 -0.002 0.000 0.773 350 P CB 0.681 32.373 31.700 -0.012 0.000 0.878 351 L N -0.970 120.251 121.223 -0.002 0.000 2.357 351 L HA 0.096 4.442 4.340 0.009 0.000 0.211 351 L C 1.896 178.757 176.870 -0.014 0.000 1.075 351 L CA 1.037 55.872 54.840 -0.009 0.000 0.830 351 L CB -0.482 41.572 42.059 -0.008 0.000 0.996 351 L HN -0.071 nan 8.230 nan 0.000 0.467 352 D N -0.349 120.042 120.400 -0.015 0.000 2.213 352 D HA -0.032 4.613 4.640 0.009 0.000 0.205 352 D C 0.603 176.890 176.300 -0.022 0.000 0.961 352 D CA 0.265 54.244 54.000 -0.036 0.000 0.853 352 D CB 0.480 41.249 40.800 -0.051 0.000 0.967 352 D HN 0.015 nan 8.370 nan 0.000 0.496 353 S N 0.524 116.233 115.700 0.015 0.000 2.448 353 S HA 0.294 4.769 4.470 0.009 0.000 0.279 353 S C 0.173 174.807 174.600 0.057 0.000 1.195 353 S CA -0.495 57.738 58.200 0.055 0.000 1.051 353 S CB 0.979 64.230 63.200 0.085 0.000 0.948 353 S HN 0.259 nan 8.310 nan 0.000 0.493 354 T N -0.045 114.554 114.554 0.074 0.000 2.940 354 T HA 0.786 5.141 4.350 0.009 0.000 0.288 354 T C -0.317 174.441 174.700 0.097 0.000 1.045 354 T CA -0.918 61.224 62.100 0.070 0.000 1.018 354 T CB 1.821 70.725 68.868 0.060 0.000 1.151 354 T HN 0.390 nan 8.240 nan 0.000 0.529 355 S N -1.023 114.725 115.700 0.081 0.000 2.548 355 S HA 0.397 4.872 4.470 0.009 0.000 0.276 355 S C 0.756 175.394 174.600 0.063 0.000 1.129 355 S CA -0.887 57.363 58.200 0.083 0.000 0.931 355 S CB 1.686 64.940 63.200 0.089 0.000 1.068 355 S HN 0.762 nan 8.310 nan 0.000 0.480 356 R N 1.987 122.521 120.500 0.058 0.000 2.115 356 R HA 0.006 4.351 4.340 0.009 0.000 0.230 356 R C 1.790 178.107 176.300 0.029 0.000 1.111 356 R CA 1.879 58.004 56.100 0.042 0.000 0.976 356 R CB -0.494 29.828 30.300 0.037 0.000 0.870 356 R HN 0.837 nan 8.270 nan 0.000 0.445 357 I N -2.279 118.308 120.570 0.029 0.000 3.684 357 I HA 0.082 4.257 4.170 0.009 0.000 0.304 357 I C 0.659 176.775 176.117 -0.002 0.000 1.278 357 I CA 0.104 61.411 61.300 0.013 0.000 1.272 357 I CB 0.136 38.148 38.000 0.019 0.000 1.029 357 I HN -0.075 nan 8.210 nan 0.000 0.458 358 M N 3.170 122.780 119.600 0.016 0.000 3.588 358 M HA 0.147 4.632 4.480 0.009 0.000 0.197 358 M C -0.678 175.686 176.300 0.106 0.000 1.623 358 M CA 0.754 56.074 55.300 0.034 0.000 1.718 358 M CB -1.758 30.871 32.600 0.048 0.000 1.187 358 M HN 0.347 nan 8.290 nan 0.000 0.541 359 D N 2.402 122.812 120.400 0.016 0.000 2.936 359 D HA 0.319 4.965 4.640 0.009 0.000 0.238 359 D C -2.225 173.966 176.300 -0.181 0.000 1.248 359 D CA -1.337 52.589 54.000 -0.125 0.000 0.903 359 D CB 2.558 43.304 40.800 -0.091 0.000 1.544 359 D HN 0.057 nan 8.370 nan 0.000 0.543 360 P HA -0.128 nan 4.420 nan 0.000 0.216 360 P C 0.673 177.908 177.300 -0.109 0.000 1.150 360 P CA 1.127 64.091 63.100 -0.226 0.000 0.843 360 P CB 0.306 31.785 31.700 -0.368 0.000 0.787 361 N N -0.944 117.681 118.700 -0.125 0.000 2.519 361 N HA -0.052 4.693 4.740 0.009 0.000 0.186 361 N C 1.626 177.114 175.510 -0.037 0.000 1.062 361 N CA 0.639 53.648 53.050 -0.068 0.000 0.910 361 N CB -0.325 38.120 38.487 -0.069 0.000 0.958 361 N HN 0.247 nan 8.380 nan 0.000 0.445 362 I N -1.253 119.296 120.570 -0.035 0.000 3.194 362 I HA -0.030 4.145 4.170 0.009 0.000 0.271 362 I C 1.611 177.738 176.117 0.016 0.000 1.150 362 I CA 0.274 61.568 61.300 -0.010 0.000 1.440 362 I CB 0.258 38.251 38.000 -0.012 0.000 1.276 362 I HN -0.000 nan 8.210 nan 0.000 0.457 363 V N -1.458 118.465 119.914 0.015 0.000 3.590 363 V HA 0.579 4.704 4.120 0.009 0.000 0.265 363 V C 0.779 176.955 176.094 0.136 0.000 1.239 363 V CA 0.228 62.572 62.300 0.073 0.000 1.117 363 V CB -0.633 31.157 31.823 -0.055 0.000 0.818 363 V HN 0.450 nan 8.190 nan 0.000 0.451 364 G N 0.207 109.059 108.800 0.086 0.000 3.067 364 G HA2 -0.082 3.883 3.960 0.009 0.000 0.686 364 G HA3 -0.082 3.883 3.960 0.009 0.000 0.686 364 G C 0.229 175.206 174.900 0.128 0.000 1.119 364 G CA 0.268 45.428 45.100 0.100 0.000 0.790 364 G HN 0.710 nan 8.290 nan 0.000 0.605 365 S N 0.298 116.053 115.700 0.092 0.000 2.408 365 S HA -0.279 4.197 4.470 0.009 0.000 0.241 365 S C 1.972 176.681 174.600 0.182 0.000 1.080 365 S CA 2.763 61.034 58.200 0.117 0.000 1.109 365 S CB -0.224 63.022 63.200 0.077 0.000 0.966 365 S HN 0.864 nan 8.310 nan 0.000 0.449 366 E N -0.647 119.646 120.200 0.155 0.000 2.028 366 E HA -0.216 4.139 4.350 0.009 0.000 0.191 366 E C 2.089 178.814 176.600 0.208 0.000 0.988 366 E CA 1.323 57.814 56.400 0.152 0.000 0.799 366 E CB -0.439 29.330 29.700 0.115 0.000 0.755 366 E HN 0.859 nan 8.360 nan 0.000 0.447 367 H N -1.360 117.772 119.070 0.104 0.000 2.387 367 H HA -0.221 4.341 4.556 0.009 0.000 0.299 367 H C 2.083 177.478 175.328 0.112 0.000 1.099 367 H CA 1.456 57.562 56.048 0.096 0.000 1.315 367 H CB 0.011 29.827 29.762 0.090 0.000 1.380 367 H HN 0.267 nan 8.280 nan 0.000 0.513 368 Y N 1.806 122.159 120.300 0.089 0.000 2.089 368 Y HA -0.241 4.314 4.550 0.009 0.000 0.282 368 Y C 2.076 178.000 175.900 0.041 0.000 1.139 368 Y CA 2.020 60.122 58.100 0.004 0.000 1.123 368 Y CB -0.477 37.979 38.460 -0.006 0.000 0.980 368 Y HN 0.285 nan 8.280 nan 0.000 0.493 369 D N -0.547 119.885 120.400 0.055 0.000 2.149 369 D HA -0.173 4.473 4.640 0.009 0.000 0.198 369 D C 2.395 178.662 176.300 -0.056 0.000 0.990 369 D CA 1.690 55.666 54.000 -0.040 0.000 0.839 369 D CB -0.521 40.321 40.800 0.071 0.000 0.948 369 D HN 0.334 nan 8.370 nan 0.000 0.460 370 V N 1.479 121.407 119.914 0.023 0.000 2.307 370 V HA -0.204 3.922 4.120 0.009 0.000 0.245 370 V C 2.598 178.689 176.094 -0.005 0.000 1.045 370 V CA 1.685 64.012 62.300 0.046 0.000 1.024 370 V CB -0.953 30.937 31.823 0.111 0.000 0.651 370 V HN 0.177 nan 8.190 nan 0.000 0.449 371 A N 0.260 123.068 122.820 -0.020 0.000 1.873 371 A HA -0.245 4.080 4.320 0.009 0.000 0.218 371 A C 2.342 179.837 177.584 -0.149 0.000 1.193 371 A CA 1.856 53.843 52.037 -0.083 0.000 0.629 371 A CB -0.544 18.408 19.000 -0.080 0.000 0.826 371 A HN 0.405 nan 8.150 nan 0.000 0.447 372 R N -0.691 119.653 120.500 -0.260 0.000 2.152 372 R HA -0.102 4.244 4.340 0.009 0.000 0.232 372 R C 2.256 178.475 176.300 -0.135 0.000 1.117 372 R CA 1.178 57.122 56.100 -0.259 0.000 0.981 372 R CB -1.082 28.948 30.300 -0.448 0.000 0.870 372 R HN 0.577 nan 8.270 nan 0.000 0.451 373 G N 0.075 108.819 108.800 -0.093 0.000 2.396 373 G HA2 -0.137 3.828 3.960 0.009 0.000 0.214 373 G HA3 -0.137 3.828 3.960 0.009 0.000 0.214 373 G C 1.545 176.433 174.900 -0.020 0.000 1.166 373 G CA 0.283 45.361 45.100 -0.037 0.000 0.793 373 G HN 0.121 nan 8.290 nan 0.000 0.533 374 V N 0.624 120.524 119.914 -0.024 0.000 2.343 374 V HA -0.255 3.870 4.120 0.009 0.000 0.247 374 V C 2.915 178.987 176.094 -0.035 0.000 1.051 374 V CA 2.244 64.530 62.300 -0.024 0.000 1.036 374 V CB -0.573 31.194 31.823 -0.094 0.000 0.654 374 V HN 0.408 nan 8.190 nan 0.000 0.451 375 Q N -0.331 119.435 119.800 -0.056 0.000 2.050 375 Q HA -0.283 4.062 4.340 0.009 0.000 0.202 375 Q C 2.331 178.318 176.000 -0.022 0.000 0.980 375 Q CA 2.080 57.857 55.803 -0.044 0.000 0.840 375 Q CB -0.232 28.470 28.738 -0.062 0.000 0.898 375 Q HN 0.522 nan 8.270 nan 0.000 0.424 376 K N 1.090 121.473 120.400 -0.027 0.000 2.026 376 K HA -0.145 4.181 4.320 0.009 0.000 0.208 376 K C 1.760 178.366 176.600 0.010 0.000 1.048 376 K CA 1.207 57.487 56.287 -0.011 0.000 0.929 376 K CB -0.358 32.131 32.500 -0.018 0.000 0.713 376 K HN 0.187 nan 8.250 nan 0.000 0.439 377 I N 0.288 120.865 120.570 0.012 0.000 2.454 377 I HA -0.208 3.967 4.170 0.009 0.000 0.254 377 I C 1.575 177.729 176.117 0.061 0.000 1.156 377 I CA 0.963 62.279 61.300 0.026 0.000 1.433 377 I CB 0.142 38.147 38.000 0.009 0.000 1.082 377 I HN 0.225 nan 8.210 nan 0.000 0.432 378 L N -0.408 120.849 121.223 0.057 0.000 2.179 378 L HA -0.145 4.201 4.340 0.009 0.000 0.208 378 L C 2.454 179.387 176.870 0.106 0.000 1.096 378 L CA 0.886 55.788 54.840 0.103 0.000 0.779 378 L CB -0.448 41.649 42.059 0.062 0.000 0.922 378 L HN 0.251 nan 8.230 nan 0.000 0.443 379 Q N -0.102 119.729 119.800 0.053 0.000 2.079 379 Q HA -0.194 4.151 4.340 0.009 0.000 0.200 379 Q C 1.530 177.551 176.000 0.035 0.000 0.974 379 Q CA 1.430 57.250 55.803 0.029 0.000 0.840 379 Q CB 0.017 28.761 28.738 0.010 0.000 0.898 379 Q HN 0.450 nan 8.270 nan 0.000 0.430 380 D N -0.508 119.924 120.400 0.052 0.000 2.269 380 D HA -0.124 4.521 4.640 0.009 0.000 0.208 380 D C 1.410 177.766 176.300 0.093 0.000 0.963 380 D CA 0.645 54.676 54.000 0.052 0.000 0.864 380 D CB -0.074 40.753 40.800 0.045 0.000 0.936 380 D HN 0.242 nan 8.370 nan 0.000 0.505 381 Y N 1.585 121.876 120.300 -0.015 0.000 2.373 381 Y HA -0.014 4.541 4.550 0.009 0.000 0.293 381 Y C 1.972 177.862 175.900 -0.017 0.000 1.129 381 Y CA 1.012 59.102 58.100 -0.016 0.000 1.226 381 Y CB 0.117 38.567 38.460 -0.017 0.000 1.000 381 Y HN -0.209 nan 8.280 nan 0.000 0.549 382 K N -0.939 119.396 120.400 -0.108 0.000 2.167 382 K HA -0.064 4.262 4.320 0.009 0.000 0.203 382 K C 2.239 178.755 176.600 -0.140 0.000 1.052 382 K CA 0.989 57.169 56.287 -0.178 0.000 0.956 382 K CB -0.003 32.449 32.500 -0.080 0.000 0.735 382 K HN 0.159 nan 8.250 nan 0.000 0.451 383 S N 1.021 116.674 115.700 -0.078 0.000 2.402 383 S HA -0.032 4.443 4.470 0.009 0.000 0.229 383 S C 1.627 176.188 174.600 -0.066 0.000 1.021 383 S CA 0.867 59.033 58.200 -0.056 0.000 0.974 383 S CB 0.015 63.200 63.200 -0.024 0.000 0.800 383 S HN 0.237 nan 8.310 nan 0.000 0.484 384 L N 0.787 121.960 121.223 -0.083 0.000 2.375 384 L HA 0.096 4.442 4.340 0.009 0.000 0.215 384 L C 2.408 179.211 176.870 -0.111 0.000 1.108 384 L CA 0.447 55.246 54.840 -0.068 0.000 0.830 384 L CB -0.325 41.727 42.059 -0.012 0.000 0.959 384 L HN 0.246 nan 8.230 nan 0.000 0.457 385 Q N 0.380 120.056 119.800 -0.206 0.000 2.297 385 Q HA -0.240 4.106 4.340 0.009 0.000 0.208 385 Q C 1.253 177.182 176.000 -0.118 0.000 0.981 385 Q CA 1.750 57.426 55.803 -0.211 0.000 0.876 385 Q CB -0.094 28.457 28.738 -0.312 0.000 0.921 385 Q HN 0.619 nan 8.270 nan 0.000 0.446 386 D N 0.157 120.502 120.400 -0.093 0.000 2.120 386 D HA -0.093 4.553 4.640 0.009 0.000 0.202 386 D C 1.583 177.855 176.300 -0.045 0.000 0.972 386 D CA 0.861 54.824 54.000 -0.061 0.000 0.837 386 D CB -0.010 40.759 40.800 -0.052 0.000 0.989 386 D HN 0.193 nan 8.370 nan 0.000 0.469 387 I N 0.742 121.287 120.570 -0.042 0.000 2.493 387 I HA -0.157 4.018 4.170 0.009 0.000 0.254 387 I C 1.738 177.841 176.117 -0.023 0.000 1.160 387 I CA 0.369 61.653 61.300 -0.027 0.000 1.445 387 I CB -0.100 37.888 38.000 -0.020 0.000 1.086 387 I HN 0.043 nan 8.210 nan 0.000 0.433 388 I N 1.259 121.810 120.570 -0.031 0.000 2.226 388 I HA -0.240 3.936 4.170 0.009 0.000 0.245 388 I C 2.766 178.870 176.117 -0.022 0.000 1.100 388 I CA 1.669 62.956 61.300 -0.022 0.000 1.374 388 I CB -1.416 36.566 38.000 -0.030 0.000 1.057 388 I HN 0.193 nan 8.210 nan 0.000 0.413 389 A N 0.235 123.036 122.820 -0.031 0.000 2.014 389 A HA -0.079 4.246 4.320 0.009 0.000 0.218 389 A C 2.201 179.774 177.584 -0.019 0.000 1.163 389 A CA 1.009 53.031 52.037 -0.026 0.000 0.652 389 A CB -0.265 18.716 19.000 -0.033 0.000 0.808 389 A HN 0.254 nan 8.150 nan 0.000 0.449 390 I N -1.372 119.187 120.570 -0.019 0.000 2.556 390 I HA 0.092 4.268 4.170 0.009 0.000 0.251 390 I C 1.804 177.914 176.117 -0.011 0.000 1.105 390 I CA 1.115 62.406 61.300 -0.015 0.000 1.436 390 I CB -0.632 37.359 38.000 -0.016 0.000 1.139 390 I HN 0.225 nan 8.210 nan 0.000 0.438 391 L N -0.446 120.771 121.223 -0.010 0.000 2.766 391 L HA 0.381 4.727 4.340 0.009 0.000 0.242 391 L C 0.801 177.669 176.870 -0.003 0.000 1.136 391 L CA 0.099 54.936 54.840 -0.006 0.000 0.933 391 L CB 0.393 42.449 42.059 -0.005 0.000 1.241 391 L HN 0.358 nan 8.230 nan 0.000 0.522 392 G N 0.104 108.902 108.800 -0.004 0.000 2.828 392 G HA2 -0.337 3.628 3.960 0.009 0.000 0.463 392 G HA3 -0.337 3.628 3.960 0.009 0.000 0.463 392 G C 0.200 175.103 174.900 0.005 0.000 1.394 392 G CA 0.132 45.232 45.100 -0.000 0.000 0.862 392 G HN 0.061 nan 8.290 nan 0.000 0.540 393 M N -0.522 119.084 119.600 0.009 0.000 2.447 393 M HA 0.092 4.577 4.480 0.009 0.000 0.264 393 M C 1.233 177.542 176.300 0.014 0.000 1.095 393 M CA 1.356 56.666 55.300 0.017 0.000 1.125 393 M CB 0.062 32.675 32.600 0.023 0.000 1.389 393 M HN 0.492 nan 8.290 nan 0.000 0.459 394 D N 0.706 121.112 120.400 0.009 0.000 2.336 394 D HA 0.028 4.674 4.640 0.009 0.000 0.228 394 D C 0.193 176.496 176.300 0.006 0.000 1.120 394 D CA 0.421 54.425 54.000 0.008 0.000 0.839 394 D CB 0.301 41.105 40.800 0.006 0.000 0.932 394 D HN 0.361 nan 8.370 nan 0.000 0.509 395 E N 0.586 120.789 120.200 0.006 0.000 2.869 395 E HA 0.185 4.541 4.350 0.009 0.000 0.207 395 E C 0.172 176.775 176.600 0.005 0.000 0.986 395 E CA -0.163 56.239 56.400 0.004 0.000 1.131 395 E CB 1.137 30.838 29.700 0.002 0.000 1.098 395 E HN 0.264 nan 8.360 nan 0.000 0.459 396 L N 1.136 122.365 121.223 0.009 0.000 2.360 396 L HA 0.272 4.617 4.340 0.009 0.000 0.271 396 L C 1.035 177.911 176.870 0.009 0.000 1.057 396 L CA -0.652 54.194 54.840 0.011 0.000 0.803 396 L CB 1.297 43.367 42.059 0.018 0.000 1.207 396 L HN -0.001 nan 8.230 nan 0.000 0.445 397 S N 0.267 115.972 115.700 0.009 0.000 2.589 397 S HA 0.085 4.560 4.470 0.009 0.000 0.265 397 S C 0.815 175.419 174.600 0.008 0.000 1.342 397 S CA -0.519 57.685 58.200 0.007 0.000 1.005 397 S CB 0.901 64.104 63.200 0.006 0.000 0.909 397 S HN 0.620 nan 8.310 nan 0.000 0.555 398 E N 0.566 120.770 120.200 0.006 0.000 2.204 398 E HA -0.122 4.233 4.350 0.009 0.000 0.194 398 E C 1.793 178.396 176.600 0.005 0.000 0.989 398 E CA 0.865 57.269 56.400 0.005 0.000 0.824 398 E CB -0.251 29.451 29.700 0.004 0.000 0.756 398 E HN 0.854 nan 8.360 nan 0.000 0.477 399 E N 0.819 121.022 120.200 0.005 0.000 2.152 399 E HA -0.161 4.195 4.350 0.009 0.000 0.192 399 E C 0.856 177.460 176.600 0.007 0.000 0.983 399 E CA 0.902 57.305 56.400 0.005 0.000 0.818 399 E CB 0.203 29.905 29.700 0.005 0.000 0.758 399 E HN 0.143 nan 8.360 nan 0.000 0.467 400 D N 0.189 120.596 120.400 0.011 0.000 2.194 400 D HA -0.057 4.588 4.640 0.009 0.000 0.204 400 D C 1.751 178.065 176.300 0.023 0.000 0.964 400 D CA 0.679 54.690 54.000 0.020 0.000 0.846 400 D CB 0.060 40.872 40.800 0.020 0.000 0.962 400 D HN 0.045 nan 8.370 nan 0.000 0.490 401 K N -0.026 120.383 120.400 0.015 0.000 2.063 401 K HA -0.134 4.191 4.320 0.009 0.000 0.208 401 K C 1.785 178.386 176.600 0.001 0.000 1.048 401 K CA 0.672 56.966 56.287 0.012 0.000 0.928 401 K CB -0.124 32.381 32.500 0.008 0.000 0.713 401 K HN 0.062 nan 8.250 nan 0.000 0.442 402 L N 0.828 122.049 121.223 -0.004 0.000 1.994 402 L HA -0.208 4.137 4.340 0.009 0.000 0.208 402 L C 2.650 179.501 176.870 -0.032 0.000 1.071 402 L CA 2.123 56.952 54.840 -0.018 0.000 0.745 402 L CB -1.219 40.832 42.059 -0.013 0.000 0.892 402 L HN 0.370 nan 8.230 nan 0.000 0.431 403 T N -3.734 110.812 114.554 -0.013 0.000 2.737 403 T HA -0.220 4.135 4.350 0.009 0.000 0.269 403 T C 1.860 176.534 174.700 -0.043 0.000 1.040 403 T CA 1.674 63.766 62.100 -0.013 0.000 1.142 403 T CB -1.098 67.785 68.868 0.024 0.000 0.861 403 T HN 0.108 nan 8.240 nan 0.000 0.456 404 V N 2.046 121.953 119.914 -0.012 0.000 2.244 404 V HA -0.189 3.936 4.120 0.009 0.000 0.244 404 V C 3.067 179.037 176.094 -0.206 0.000 1.042 404 V CA 2.094 64.363 62.300 -0.051 0.000 1.006 404 V CB -1.151 30.730 31.823 0.097 0.000 0.641 404 V HN 0.579 nan 8.190 nan 0.000 0.446 405 S N 0.383 116.009 115.700 -0.123 0.000 2.377 405 S HA -0.321 4.154 4.470 0.009 0.000 0.224 405 S C 2.031 176.498 174.600 -0.222 0.000 1.042 405 S CA 2.133 60.246 58.200 -0.145 0.000 1.086 405 S CB -0.516 62.629 63.200 -0.091 0.000 0.995 405 S HN 0.529 nan 8.310 nan 0.000 0.428 406 R N 1.521 121.906 120.500 -0.190 0.000 2.083 406 R HA -0.063 4.282 4.340 0.009 0.000 0.237 406 R C 2.723 178.878 176.300 -0.241 0.000 1.137 406 R CA 1.324 57.299 56.100 -0.209 0.000 0.951 406 R CB -0.797 29.428 30.300 -0.125 0.000 0.851 406 R HN 0.458 nan 8.270 nan 0.000 0.434 407 A N 1.537 124.198 122.820 -0.265 0.000 1.859 407 A HA -0.231 4.094 4.320 0.009 0.000 0.217 407 A C 2.128 179.456 177.584 -0.427 0.000 1.198 407 A CA 1.705 53.537 52.037 -0.342 0.000 0.629 407 A CB -0.558 18.139 19.000 -0.505 0.000 0.830 407 A HN 0.265 nan 8.150 nan 0.000 0.446 408 R N -0.547 119.606 120.500 -0.579 0.000 2.127 408 R HA -0.133 4.212 4.340 0.009 0.000 0.238 408 R C 2.148 178.294 176.300 -0.256 0.000 1.134 408 R CA 1.708 57.564 56.100 -0.406 0.000 0.975 408 R CB -0.248 29.853 30.300 -0.333 0.000 0.865 408 R HN 0.529 nan 8.270 nan 0.000 0.447 409 K N 0.167 120.368 120.400 -0.332 0.000 2.186 409 K HA 0.035 4.360 4.320 0.009 0.000 0.202 409 K C 1.954 178.324 176.600 -0.385 0.000 1.052 409 K CA 0.731 56.711 56.287 -0.512 0.000 0.965 409 K CB 0.124 32.098 32.500 -0.877 0.000 0.746 409 K HN 0.100 nan 8.250 nan 0.000 0.457 410 I N 1.253 121.706 120.570 -0.194 0.000 2.252 410 I HA -0.288 3.887 4.170 0.009 0.000 0.245 410 I C 2.309 178.555 176.117 0.215 0.000 1.102 410 I CA 1.232 62.594 61.300 0.102 0.000 1.385 410 I CB -0.136 37.961 38.000 0.162 0.000 1.064 410 I HN 0.210 nan 8.210 nan 0.000 0.414 411 Q N 0.331 120.166 119.800 0.058 0.000 2.133 411 Q HA -0.285 4.060 4.340 0.009 0.000 0.208 411 Q C 2.356 178.431 176.000 0.124 0.000 0.991 411 Q CA 1.903 57.748 55.803 0.070 0.000 0.867 411 Q CB -0.136 28.602 28.738 0.000 0.000 0.911 411 Q HN 0.419 nan 8.270 nan 0.000 0.417 412 R N -0.922 119.657 120.500 0.132 0.000 2.093 412 R HA -0.051 4.294 4.340 0.009 0.000 0.224 412 R C 1.836 178.307 176.300 0.285 0.000 1.101 412 R CA 0.707 56.939 56.100 0.219 0.000 0.979 412 R CB -0.123 30.323 30.300 0.244 0.000 0.877 412 R HN 0.155 nan 8.270 nan 0.000 0.441 413 F N 0.799 120.816 119.950 0.111 0.000 2.451 413 F HA -0.006 4.526 4.527 0.009 0.000 0.299 413 F C 1.357 177.318 175.800 0.269 0.000 1.101 413 F CA 0.943 58.981 58.000 0.063 0.000 1.436 413 F CB 0.090 38.931 39.000 -0.266 0.000 1.074 413 F HN -0.064 nan 8.300 nan 0.000 0.553 414 L N -0.648 120.810 121.223 0.391 0.000 2.291 414 L HA -0.060 4.285 4.340 0.009 0.000 0.214 414 L C 1.621 178.526 176.870 0.058 0.000 1.120 414 L CA 0.532 55.523 54.840 0.251 0.000 0.799 414 L CB -0.809 41.341 42.059 0.153 0.000 0.925 414 L HN 0.112 nan 8.230 nan 0.000 0.446 415 S N 0.175 115.894 115.700 0.033 0.000 2.600 415 S HA 0.361 4.836 4.470 0.009 0.000 0.265 415 S C -0.298 174.215 174.600 -0.145 0.000 1.325 415 S CA -0.494 57.670 58.200 -0.060 0.000 1.002 415 S CB 1.441 64.622 63.200 -0.033 0.000 0.921 415 S HN 0.319 nan 8.310 nan 0.000 0.554 416 Q N 0.330 120.001 119.800 -0.214 0.000 2.541 416 Q HA 0.402 4.748 4.340 0.009 0.000 0.259 416 Q C -3.315 172.521 176.000 -0.272 0.000 0.974 416 Q CA -1.583 54.093 55.803 -0.211 0.000 0.955 416 Q CB 1.862 30.531 28.738 -0.114 0.000 1.517 416 Q HN 0.527 nan 8.270 nan 0.000 0.412 417 P HA 0.253 nan 4.420 nan 0.000 0.279 417 P C -1.097 176.273 177.300 0.117 0.000 1.239 417 P CA 0.090 63.129 63.100 -0.102 0.000 0.789 417 P CB 0.394 32.055 31.700 -0.064 0.000 0.933 418 F N 1.011 120.960 119.950 -0.002 0.000 2.422 418 F HA 0.243 4.776 4.527 0.009 0.000 0.333 418 F C 2.205 178.015 175.800 0.016 0.000 1.095 418 F CA -0.723 57.281 58.000 0.006 0.000 1.038 418 F CB 2.058 41.064 39.000 0.009 0.000 1.156 418 F HN 0.391 nan 8.300 nan 0.000 0.483 419 Q N 1.596 121.506 119.800 0.184 0.000 2.124 419 Q HA -0.134 4.211 4.340 0.009 0.000 0.202 419 Q C 1.765 177.819 176.000 0.090 0.000 0.977 419 Q CA 1.217 57.076 55.803 0.094 0.000 0.850 419 Q CB 0.089 28.848 28.738 0.034 0.000 0.901 419 Q HN 0.642 nan 8.270 nan 0.000 0.429 420 V N 0.162 120.130 119.914 0.090 0.000 2.913 420 V HA -0.078 4.047 4.120 0.009 0.000 0.260 420 V C 1.238 177.412 176.094 0.133 0.000 1.098 420 V CA 1.501 63.846 62.300 0.075 0.000 1.121 420 V CB -0.058 31.781 31.823 0.027 0.000 0.714 420 V HN 0.451 nan 8.190 nan 0.000 0.487 421 A N -1.485 121.441 122.820 0.177 0.000 2.574 421 A HA 0.289 4.614 4.320 0.009 0.000 0.283 421 A C 1.494 179.184 177.584 0.177 0.000 1.270 421 A CA -0.086 52.077 52.037 0.209 0.000 0.945 421 A CB -0.132 18.968 19.000 0.168 0.000 1.127 421 A HN 0.521 nan 8.150 nan 0.000 0.522 422 E N -0.432 119.841 120.200 0.122 0.000 2.204 422 E HA -0.130 4.226 4.350 0.009 0.000 0.195 422 E C 1.672 178.304 176.600 0.053 0.000 0.990 422 E CA 1.310 57.761 56.400 0.085 0.000 0.821 422 E CB -0.042 29.690 29.700 0.054 0.000 0.750 422 E HN 0.481 nan 8.360 nan 0.000 0.477 423 V N 0.194 120.126 119.914 0.031 0.000 2.307 423 V HA -0.224 3.901 4.120 0.009 0.000 0.245 423 V C 1.813 177.861 176.094 -0.077 0.000 1.045 423 V CA 1.607 63.867 62.300 -0.065 0.000 1.024 423 V CB -0.491 31.237 31.823 -0.158 0.000 0.651 423 V HN 0.247 nan 8.190 nan 0.000 0.449 424 F N 0.969 120.917 119.950 -0.004 0.000 2.456 424 F HA -0.092 4.441 4.527 0.009 0.000 0.298 424 F C 2.350 178.151 175.800 0.001 0.000 1.104 424 F CA 1.480 59.476 58.000 -0.007 0.000 1.435 424 F CB -0.023 38.968 39.000 -0.014 0.000 1.078 424 F HN 0.359 nan 8.300 nan 0.000 0.546 425 T N -5.759 108.908 114.554 0.188 0.000 2.989 425 T HA 0.398 4.753 4.350 0.009 0.000 0.250 425 T C 1.726 176.450 174.700 0.040 0.000 0.981 425 T CA 0.550 62.743 62.100 0.155 0.000 0.980 425 T CB 0.558 69.554 68.868 0.213 0.000 1.133 425 T HN 0.208 nan 8.240 nan 0.000 0.489 426 G N 1.247 110.041 108.800 -0.010 0.000 2.195 426 G HA2 -0.211 3.754 3.960 0.009 0.000 0.246 426 G HA3 -0.211 3.754 3.960 0.009 0.000 0.246 426 G C -0.159 174.616 174.900 -0.208 0.000 0.984 426 G CA 0.129 45.154 45.100 -0.125 0.000 0.633 426 G HN 0.802 nan 8.290 nan 0.000 0.525 427 H N -0.392 118.687 119.070 0.016 0.000 2.527 427 H HA 0.600 5.161 4.556 0.009 0.000 0.321 427 H C 0.565 175.899 175.328 0.010 0.000 1.087 427 H CA -0.616 55.435 56.048 0.005 0.000 1.337 427 H CB 1.557 31.314 29.762 -0.008 0.000 1.440 427 H HN 0.249 nan 8.280 nan 0.000 0.490 428 L N 2.842 124.137 121.223 0.118 0.000 2.410 428 L HA 0.208 4.554 4.340 0.009 0.000 0.273 428 L C 0.947 177.864 176.870 0.078 0.000 1.152 428 L CA -0.021 54.863 54.840 0.073 0.000 0.855 428 L CB 0.288 42.374 42.059 0.045 0.000 1.129 428 L HN 0.800 nan 8.230 nan 0.000 0.463 429 G N 4.123 112.969 108.800 0.076 0.000 2.599 429 G HA2 0.339 4.305 3.960 0.009 0.000 0.264 429 G HA3 0.339 4.305 3.960 0.009 0.000 0.264 429 G C -1.018 173.921 174.900 0.065 0.000 1.200 429 G CA -0.558 44.597 45.100 0.092 0.000 0.896 429 G HN 0.511 nan 8.290 nan 0.000 0.536 430 K N 0.735 121.182 120.400 0.079 0.000 2.541 430 K HA 0.250 4.575 4.320 0.009 0.000 0.250 430 K C -1.491 175.139 176.600 0.051 0.000 0.950 430 K CA -0.973 55.340 56.287 0.044 0.000 0.805 430 K CB 2.326 34.836 32.500 0.015 0.000 1.166 430 K HN 0.313 nan 8.250 nan 0.000 0.430 431 L N 3.690 124.923 121.223 0.016 0.000 2.261 431 L HA 0.278 4.624 4.340 0.009 0.000 0.289 431 L C -0.923 175.943 176.870 -0.007 0.000 1.059 431 L CA -0.563 54.274 54.840 -0.004 0.000 0.816 431 L CB 0.872 42.913 42.059 -0.030 0.000 1.191 431 L HN 0.327 nan 8.230 nan 0.000 0.431 432 V N 8.533 128.446 119.914 -0.002 0.000 2.383 432 V HA 0.399 4.525 4.120 0.009 0.000 0.275 432 V C -1.870 174.222 176.094 -0.002 0.000 1.036 432 V CA -1.440 60.857 62.300 -0.005 0.000 0.889 432 V CB 1.185 32.997 31.823 -0.018 0.000 0.985 432 V HN 0.739 nan 8.190 nan 0.000 0.459 433 P HA 0.056 nan 4.420 nan 0.000 0.269 433 P C 0.774 178.077 177.300 0.005 0.000 1.209 433 P CA -0.292 62.806 63.100 -0.003 0.000 0.776 433 P CB 0.702 32.400 31.700 -0.003 0.000 0.876 434 L N 3.893 125.115 121.223 -0.001 0.000 2.043 434 L HA -0.230 4.116 4.340 0.009 0.000 0.212 434 L C 1.818 178.669 176.870 -0.031 0.000 1.075 434 L CA 2.064 56.890 54.840 -0.023 0.000 0.752 434 L CB -0.775 41.270 42.059 -0.023 0.000 0.891 434 L HN 0.262 nan 8.230 nan 0.000 0.432 435 K N -0.577 119.818 120.400 -0.008 0.000 2.148 435 K HA -0.136 4.189 4.320 0.009 0.000 0.204 435 K C 1.935 178.557 176.600 0.037 0.000 1.050 435 K CA 1.597 57.887 56.287 0.006 0.000 0.942 435 K CB -0.142 32.367 32.500 0.015 0.000 0.724 435 K HN 0.538 nan 8.250 nan 0.000 0.446 436 E N 0.075 120.303 120.200 0.047 0.000 2.107 436 E HA -0.106 4.249 4.350 0.009 0.000 0.191 436 E C 1.897 178.578 176.600 0.135 0.000 0.982 436 E CA 1.119 57.567 56.400 0.080 0.000 0.809 436 E CB -0.030 29.709 29.700 0.065 0.000 0.756 436 E HN 0.227 nan 8.360 nan 0.000 0.459 437 T N 1.774 116.400 114.554 0.120 0.000 2.674 437 T HA -0.139 4.216 4.350 0.009 0.000 0.265 437 T C 2.032 176.902 174.700 0.283 0.000 1.039 437 T CA 0.989 63.216 62.100 0.212 0.000 1.150 437 T CB -0.233 68.701 68.868 0.109 0.000 0.864 437 T HN 0.098 nan 8.240 nan 0.000 0.427 438 I N 0.849 121.485 120.570 0.110 0.000 2.208 438 I HA -0.222 3.954 4.170 0.009 0.000 0.245 438 I C 2.599 178.816 176.117 0.166 0.000 1.097 438 I CA 1.446 62.797 61.300 0.084 0.000 1.363 438 I CB -0.311 37.666 38.000 -0.038 0.000 1.051 438 I HN 0.211 nan 8.210 nan 0.000 0.413 439 K N 1.067 121.553 120.400 0.144 0.000 2.025 439 K HA -0.121 4.205 4.320 0.009 0.000 0.207 439 K C 2.193 178.888 176.600 0.159 0.000 1.049 439 K CA 1.514 57.882 56.287 0.135 0.000 0.933 439 K CB -0.477 32.085 32.500 0.103 0.000 0.714 439 K HN 0.315 nan 8.250 nan 0.000 0.438 440 G N 0.573 109.485 108.800 0.185 0.000 2.529 440 G HA2 -0.266 3.700 3.960 0.009 0.000 0.219 440 G HA3 -0.266 3.700 3.960 0.009 0.000 0.219 440 G C 1.253 176.116 174.900 -0.062 0.000 1.177 440 G CA 1.166 46.309 45.100 0.071 0.000 0.773 440 G HN 0.322 nan 8.290 nan 0.000 0.573 441 F N 0.482 120.552 119.950 0.200 0.000 2.293 441 F HA 0.088 4.621 4.527 0.009 0.000 0.297 441 F C 2.816 178.665 175.800 0.081 0.000 1.089 441 F CA 1.181 59.262 58.000 0.135 0.000 1.377 441 F CB -0.286 38.801 39.000 0.146 0.000 1.051 441 F HN 0.173 nan 8.300 nan 0.000 0.511 442 Q N 0.528 120.476 119.800 0.246 0.000 2.045 442 Q HA -0.279 4.066 4.340 0.009 0.000 0.206 442 Q C 2.121 178.188 176.000 0.111 0.000 0.991 442 Q CA 2.068 57.962 55.803 0.151 0.000 0.851 442 Q CB -0.177 28.638 28.738 0.129 0.000 0.911 442 Q HN 0.479 nan 8.270 nan 0.000 0.418 443 Q N -0.213 119.659 119.800 0.121 0.000 2.172 443 Q HA -0.091 4.254 4.340 0.009 0.000 0.200 443 Q C 2.165 178.238 176.000 0.123 0.000 0.964 443 Q CA 1.028 56.901 55.803 0.117 0.000 0.855 443 Q CB 0.065 28.942 28.738 0.231 0.000 0.918 443 Q HN 0.500 nan 8.270 nan 0.000 0.444 444 I N 0.569 121.207 120.570 0.114 0.000 2.142 444 I HA -0.308 3.867 4.170 0.009 0.000 0.240 444 I C 2.241 178.364 176.117 0.009 0.000 1.078 444 I CA 1.082 62.404 61.300 0.037 0.000 1.343 444 I CB -0.314 37.599 38.000 -0.145 0.000 1.046 444 I HN 0.222 nan 8.210 nan 0.000 0.405 445 L N 0.726 121.973 121.223 0.040 0.000 2.137 445 L HA -0.263 4.082 4.340 0.009 0.000 0.213 445 L C 2.562 179.439 176.870 0.012 0.000 1.085 445 L CA 1.495 56.353 54.840 0.030 0.000 0.760 445 L CB -0.444 41.649 42.059 0.057 0.000 0.893 445 L HN 0.293 nan 8.230 nan 0.000 0.434 446 A N -1.069 121.758 122.820 0.013 0.000 2.206 446 A HA 0.199 4.524 4.320 0.009 0.000 0.211 446 A C 1.696 179.267 177.584 -0.023 0.000 1.158 446 A CA 0.811 52.845 52.037 -0.005 0.000 0.761 446 A CB -0.410 18.585 19.000 -0.008 0.000 0.801 446 A HN 0.563 nan 8.150 nan 0.000 0.473 447 G N -0.599 108.186 108.800 -0.025 0.000 2.136 447 G HA2 -0.262 3.703 3.960 0.009 0.000 0.242 447 G HA3 -0.262 3.703 3.960 0.009 0.000 0.242 447 G C 0.380 175.247 174.900 -0.054 0.000 0.989 447 G CA 0.516 45.599 45.100 -0.028 0.000 0.682 447 G HN 0.598 nan 8.290 nan 0.000 0.522 448 E N -1.080 119.036 120.200 -0.141 0.000 2.516 448 E HA 0.070 4.425 4.350 0.009 0.000 0.199 448 E C 0.486 176.716 176.600 -0.618 0.000 1.069 448 E CA 0.609 56.793 56.400 -0.360 0.000 0.876 448 E CB -0.026 29.381 29.700 -0.487 0.000 0.843 448 E HN 0.810 nan 8.360 nan 0.000 0.530 449 Y N -1.186 119.120 120.300 0.010 0.000 2.742 449 Y HA 0.128 4.683 4.550 0.009 0.000 0.248 449 Y C 0.799 176.628 175.900 -0.117 0.000 1.132 449 Y CA -0.588 57.465 58.100 -0.079 0.000 1.142 449 Y CB 0.700 39.202 38.460 0.070 0.000 1.222 449 Y HN -0.089 nan 8.280 nan 0.000 0.575 450 D N 0.249 120.672 120.400 0.039 0.000 2.178 450 D HA -0.167 4.478 4.640 0.009 0.000 0.202 450 D C 2.054 178.376 176.300 0.038 0.000 0.974 450 D CA 1.528 55.540 54.000 0.021 0.000 0.841 450 D CB -0.063 40.757 40.800 0.034 0.000 0.953 450 D HN 0.640 nan 8.370 nan 0.000 0.478 451 H N -0.033 119.078 119.070 0.068 0.000 2.495 451 H HA 0.050 4.612 4.556 0.009 0.000 0.287 451 H C 1.006 176.387 175.328 0.087 0.000 1.033 451 H CA 0.100 56.182 56.048 0.057 0.000 1.307 451 H CB -0.394 29.388 29.762 0.033 0.000 1.401 451 H HN 0.102 nan 8.280 nan 0.000 0.555 452 L N 3.520 124.539 121.223 -0.340 0.000 2.439 452 L HA 0.169 4.515 4.340 0.009 0.000 0.269 452 L C -1.823 175.085 176.870 0.064 0.000 1.179 452 L CA -1.862 52.900 54.840 -0.130 0.000 0.828 452 L CB 0.494 42.459 42.059 -0.158 0.000 1.106 452 L HN 0.095 nan 8.230 nan 0.000 0.467 453 P HA -0.038 nan 4.420 nan 0.000 0.268 453 P C 0.303 177.706 177.300 0.172 0.000 1.205 453 P CA -0.055 63.090 63.100 0.076 0.000 0.771 453 P CB 0.734 32.454 31.700 0.034 0.000 0.858 454 E N 1.976 122.252 120.200 0.126 0.000 2.114 454 E HA -0.272 4.084 4.350 0.009 0.000 0.199 454 E C 1.166 177.894 176.600 0.212 0.000 1.008 454 E CA 1.338 57.814 56.400 0.127 0.000 0.810 454 E CB 0.057 29.769 29.700 0.020 0.000 0.739 454 E HN 0.351 nan 8.360 nan 0.000 0.456 455 Q N -0.929 118.950 119.800 0.130 0.000 2.444 455 Q HA 0.065 4.410 4.340 0.009 0.000 0.206 455 Q C 1.484 177.562 176.000 0.130 0.000 0.948 455 Q CA 0.709 56.584 55.803 0.120 0.000 0.946 455 Q CB 0.596 29.366 28.738 0.054 0.000 1.027 455 Q HN 0.347 nan 8.270 nan 0.000 0.513 456 A N -0.722 122.131 122.820 0.056 0.000 2.067 456 A HA -0.040 4.286 4.320 0.009 0.000 0.217 456 A C 1.303 178.719 177.584 -0.280 0.000 1.156 456 A CA 0.624 52.541 52.037 -0.201 0.000 0.683 456 A CB -0.298 18.424 19.000 -0.464 0.000 0.808 456 A HN 0.248 nan 8.150 nan 0.000 0.455 457 F N -2.373 117.577 119.950 0.000 0.000 2.698 457 F HA 0.196 4.728 4.527 0.009 0.000 0.295 457 F C 0.832 176.743 175.800 0.184 0.000 1.124 457 F CA -0.575 57.462 58.000 0.061 0.000 1.426 457 F CB -0.429 38.550 39.000 -0.035 0.000 1.120 457 F HN 0.274 nan 8.300 nan 0.000 0.583 458 Y N 1.777 122.177 120.300 0.167 0.000 2.511 458 Y HA 0.198 4.753 4.550 0.009 0.000 0.332 458 Y C 0.813 176.717 175.900 0.007 0.000 1.177 458 Y CA -1.318 56.824 58.100 0.071 0.000 1.422 458 Y CB 0.255 38.733 38.460 0.030 0.000 1.271 458 Y HN 0.069 nan 8.280 nan 0.000 0.550 459 M N 5.088 124.329 119.600 -0.598 0.000 2.212 459 M HA -0.190 4.296 4.480 0.009 0.000 0.193 459 M C -1.526 174.586 176.300 -0.314 0.000 0.493 459 M CA 0.603 55.544 55.300 -0.599 0.000 0.427 459 M CB -2.453 29.584 32.600 -0.938 0.000 1.120 459 M HN 0.355 nan 8.290 nan 0.000 0.929 460 V N -1.350 118.455 119.914 -0.181 0.000 3.001 460 V HA 0.876 5.001 4.120 0.009 0.000 0.314 460 V C 1.202 177.219 176.094 -0.129 0.000 1.099 460 V CA -0.158 62.082 62.300 -0.099 0.000 0.989 460 V CB 2.115 33.947 31.823 0.016 0.000 1.040 460 V HN 0.630 nan 8.190 nan 0.000 0.434 461 G N 2.541 111.296 108.800 -0.074 0.000 3.078 461 G HA2 0.262 4.228 3.960 0.009 0.000 0.163 461 G HA3 0.262 4.228 3.960 0.009 0.000 0.163 461 G C -2.191 172.663 174.900 -0.076 0.000 1.894 461 G CA -0.092 44.960 45.100 -0.080 0.000 0.951 461 G HN 0.590 nan 8.290 nan 0.000 0.446 462 P HA 0.135 nan 4.420 nan 0.000 0.277 462 P C 0.721 178.173 177.300 0.254 0.000 1.276 462 P CA -0.493 62.680 63.100 0.120 0.000 0.788 462 P CB 1.161 32.899 31.700 0.063 0.000 1.114 463 I N -0.126 120.579 120.570 0.226 0.000 2.546 463 I HA -0.180 3.995 4.170 0.009 0.000 0.255 463 I C 1.886 177.887 176.117 -0.193 0.000 1.163 463 I CA 1.592 62.837 61.300 -0.092 0.000 1.457 463 I CB -0.695 37.148 38.000 -0.263 0.000 1.092 463 I HN 0.170 nan 8.210 nan 0.000 0.434 464 E N 0.769 120.929 120.200 -0.067 0.000 2.110 464 E HA -0.228 4.127 4.350 0.009 0.000 0.193 464 E C 1.914 178.461 176.600 -0.088 0.000 0.988 464 E CA 1.398 57.759 56.400 -0.065 0.000 0.804 464 E CB -0.219 29.471 29.700 -0.016 0.000 0.745 464 E HN 0.565 nan 8.360 nan 0.000 0.458 465 E N -0.597 119.566 120.200 -0.062 0.000 2.511 465 E HA 0.030 4.386 4.350 0.009 0.000 0.196 465 E C 1.485 178.010 176.600 -0.124 0.000 1.066 465 E CA 0.426 56.788 56.400 -0.065 0.000 0.871 465 E CB 0.186 29.870 29.700 -0.026 0.000 0.863 465 E HN 0.254 nan 8.360 nan 0.000 0.520 466 A N 0.292 122.975 122.820 -0.228 0.000 1.911 466 A HA -0.032 4.293 4.320 0.009 0.000 0.212 466 A C 2.307 179.616 177.584 -0.459 0.000 1.189 466 A CA 0.351 52.120 52.037 -0.446 0.000 0.639 466 A CB -0.187 18.329 19.000 -0.807 0.000 0.839 466 A HN 0.113 nan 8.150 nan 0.000 0.449 467 V N 0.338 120.026 119.914 -0.376 0.000 2.407 467 V HA -0.227 3.899 4.120 0.009 0.000 0.248 467 V C 3.001 179.013 176.094 -0.138 0.000 1.055 467 V CA 1.849 64.015 62.300 -0.224 0.000 1.049 467 V CB -1.253 30.506 31.823 -0.107 0.000 0.662 467 V HN 0.567 nan 8.190 nan 0.000 0.455 468 A N -0.418 122.331 122.820 -0.119 0.000 1.933 468 A HA -0.237 4.088 4.320 0.009 0.000 0.218 468 A C 2.364 179.902 177.584 -0.077 0.000 1.175 468 A CA 2.025 54.017 52.037 -0.075 0.000 0.628 468 A CB -0.427 18.540 19.000 -0.055 0.000 0.814 468 A HN 0.493 nan 8.150 nan 0.000 0.444 469 K N -0.581 119.751 120.400 -0.113 0.000 2.217 469 K HA 0.059 4.384 4.320 0.009 0.000 0.202 469 K C 2.031 178.573 176.600 -0.097 0.000 1.051 469 K CA 0.864 57.094 56.287 -0.096 0.000 0.952 469 K CB -0.184 32.248 32.500 -0.113 0.000 0.736 469 K HN 0.400 nan 8.250 nan 0.000 0.453 470 A N 1.057 123.794 122.820 -0.139 0.000 1.970 470 A HA -0.097 4.228 4.320 0.009 0.000 0.216 470 A C 1.334 178.888 177.584 -0.050 0.000 1.170 470 A CA 1.495 53.467 52.037 -0.109 0.000 0.645 470 A CB -0.194 18.712 19.000 -0.157 0.000 0.816 470 A HN 0.254 nan 8.150 nan 0.000 0.447 471 D N -0.680 119.694 120.400 -0.044 0.000 2.269 471 D HA -0.040 4.606 4.640 0.009 0.000 0.208 471 D C 1.754 178.046 176.300 -0.013 0.000 0.963 471 D CA 0.999 54.988 54.000 -0.018 0.000 0.864 471 D CB -0.035 40.756 40.800 -0.014 0.000 0.936 471 D HN 0.495 nan 8.370 nan 0.000 0.505 472 K N 0.055 120.444 120.400 -0.018 0.000 2.361 472 K HA 0.137 4.462 4.320 0.009 0.000 0.196 472 K C 0.440 177.039 176.600 -0.002 0.000 1.039 472 K CA 0.034 56.316 56.287 -0.008 0.000 1.001 472 K CB 0.218 32.713 32.500 -0.008 0.000 0.795 472 K HN 0.093 nan 8.250 nan 0.000 0.495 473 L N 2.634 123.854 121.223 -0.005 0.000 2.533 473 L HA 0.159 4.504 4.340 0.009 0.000 0.239 473 L C 0.292 177.165 176.870 0.006 0.000 1.376 473 L CA -0.527 54.315 54.840 0.002 0.000 1.240 473 L CB -0.871 41.188 42.059 0.000 0.000 1.487 473 L HN 0.216 nan 8.230 nan 0.000 0.419 474 A N 0.000 122.824 122.820 0.006 0.000 2.254 474 A HA 0.000 4.325 4.320 0.009 0.000 0.244 474 A CA 0.000 52.041 52.037 0.007 0.000 0.836 474 A CB 0.000 19.005 19.000 0.009 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486