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 1h8e_1_F 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 0.000 174.836 174.700 0.227 0.000 1.109 9 T CA 0.000 62.173 62.100 0.123 0.000 1.349 9 T CB 0.000 68.934 68.868 0.111 0.000 0.612 10 T N 1.077 115.737 114.554 0.176 0.000 2.855 10 T HA 0.855 5.205 4.350 -0.000 0.000 0.281 10 T C 0.438 175.057 174.700 -0.134 0.000 1.007 10 T CA 0.032 62.181 62.100 0.083 0.000 1.009 10 T CB 1.489 70.356 68.868 -0.001 0.000 0.983 10 T HN 1.035 nan 8.240 nan 0.000 0.455 11 G N 1.559 110.036 108.800 -0.539 0.000 2.816 11 G HA2 0.736 4.696 3.960 -0.000 0.000 0.288 11 G HA3 0.736 4.696 3.960 -0.000 0.000 0.288 11 G C -1.294 173.297 174.900 -0.514 0.000 1.334 11 G CA -1.266 43.225 45.100 -1.014 0.000 0.978 11 G HN 0.832 nan 8.290 nan 0.000 0.493 12 R N -0.521 119.721 120.500 -0.429 0.000 2.575 12 R HA 0.368 4.708 4.340 -0.000 0.000 0.293 12 R C -0.471 175.717 176.300 -0.186 0.000 0.983 12 R CA -0.769 55.192 56.100 -0.233 0.000 0.887 12 R CB 2.508 32.710 30.300 -0.163 0.000 1.184 12 R HN 0.400 nan 8.270 nan 0.000 0.445 13 I N 3.271 123.767 120.570 -0.124 0.000 2.668 13 I HA -0.104 4.066 4.170 -0.000 0.000 0.285 13 I C 1.571 177.649 176.117 -0.065 0.000 1.168 13 I CA 0.257 61.509 61.300 -0.081 0.000 1.424 13 I CB 0.844 38.812 38.000 -0.054 0.000 1.377 13 I HN 0.560 nan 8.210 nan 0.000 0.560 14 V N 3.066 122.950 119.914 -0.051 0.000 3.661 14 V HA 0.597 4.717 4.120 -0.000 0.000 0.271 14 V C 0.543 176.623 176.094 -0.024 0.000 1.315 14 V CA 0.439 62.717 62.300 -0.037 0.000 1.072 14 V CB 0.050 31.852 31.823 -0.034 0.000 0.830 14 V HN 0.750 nan 8.190 nan 0.000 0.443 15 A N -0.408 122.401 122.820 -0.019 0.000 2.589 15 A HA 0.798 5.118 4.320 -0.000 0.000 0.296 15 A C -1.344 176.235 177.584 -0.009 0.000 1.062 15 A CA -0.353 51.677 52.037 -0.012 0.000 0.686 15 A CB 2.106 21.102 19.000 -0.007 0.000 1.282 15 A HN 0.574 nan 8.150 nan 0.000 0.404 16 V N 2.171 122.080 119.914 -0.008 0.000 2.524 16 V HA 0.589 4.709 4.120 -0.000 0.000 0.297 16 V C -1.302 174.789 176.094 -0.005 0.000 1.035 16 V CA -0.204 62.093 62.300 -0.006 0.000 0.867 16 V CB 1.502 33.321 31.823 -0.008 0.000 1.004 16 V HN 0.912 nan 8.190 nan 0.000 0.426 17 I N 5.196 125.764 120.570 -0.003 0.000 2.493 17 I HA 0.795 4.965 4.170 -0.000 0.000 0.279 17 I C 0.648 176.762 176.117 -0.005 0.000 1.045 17 I CA 1.092 62.390 61.300 -0.004 0.000 1.106 17 I CB 0.758 38.756 38.000 -0.004 0.000 1.216 17 I HN 0.897 nan 8.210 nan 0.000 0.459 18 G N 6.001 114.798 108.800 -0.005 0.000 2.629 18 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.313 18 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.313 18 G C 0.942 175.839 174.900 -0.005 0.000 1.217 18 G CA 0.720 45.817 45.100 -0.006 0.000 0.994 18 G HN 1.537 nan 8.290 nan 0.000 0.549 19 A N -0.707 122.109 122.820 -0.007 0.000 2.208 19 A HA 0.557 4.877 4.320 -0.000 0.000 0.209 19 A C 1.073 178.657 177.584 -0.001 0.000 1.161 19 A CA 1.663 53.697 52.037 -0.005 0.000 0.782 19 A CB 0.028 19.022 19.000 -0.010 0.000 0.816 19 A HN 1.321 nan 8.150 nan 0.000 0.477 20 V N 1.069 120.983 119.914 -0.001 0.000 2.370 20 V HA 0.386 4.506 4.120 -0.000 0.000 0.279 20 V C -0.591 175.506 176.094 0.006 0.000 1.029 20 V CA -0.320 61.982 62.300 0.003 0.000 0.870 20 V CB 1.355 33.178 31.823 0.001 0.000 0.984 20 V HN 0.088 nan 8.190 nan 0.000 0.451 21 V N 4.246 124.167 119.914 0.012 0.000 2.531 21 V HA 0.472 4.592 4.120 -0.000 0.000 0.301 21 V C -0.706 175.400 176.094 0.019 0.000 1.034 21 V CA -0.842 61.465 62.300 0.011 0.000 0.865 21 V CB 2.117 33.947 31.823 0.012 0.000 0.995 21 V HN 0.782 nan 8.190 nan 0.000 0.424 22 D N 2.930 123.337 120.400 0.012 0.000 2.210 22 D HA 0.638 5.278 4.640 -0.000 0.000 0.249 22 D C -0.596 175.708 176.300 0.007 0.000 1.062 22 D CA -0.014 53.998 54.000 0.019 0.000 0.891 22 D CB 2.188 42.995 40.800 0.011 0.000 1.186 22 D HN 0.271 nan 8.370 nan 0.000 0.432 23 V N 1.993 121.923 119.914 0.027 0.000 2.623 23 V HA 0.265 4.385 4.120 -0.000 0.000 0.304 23 V C -0.356 175.725 176.094 -0.020 0.000 1.054 23 V CA -0.922 61.361 62.300 -0.028 0.000 0.882 23 V CB 1.876 33.709 31.823 0.017 0.000 1.002 23 V HN 0.422 nan 8.190 nan 0.000 0.424 24 Q N 3.446 123.157 119.800 -0.148 0.000 2.271 24 Q HA 0.678 5.018 4.340 -0.000 0.000 0.258 24 Q C -1.911 173.944 176.000 -0.241 0.000 0.936 24 Q CA -0.367 55.384 55.803 -0.088 0.000 0.909 24 Q CB 1.461 30.157 28.738 -0.070 0.000 1.253 24 Q HN 0.593 nan 8.270 nan 0.000 0.440 25 F N 2.408 122.328 119.950 -0.051 0.000 2.482 25 F HA 0.269 4.796 4.527 -0.000 0.000 0.331 25 F C 0.537 176.312 175.800 -0.042 0.000 1.115 25 F CA -0.658 57.315 58.000 -0.046 0.000 0.955 25 F CB 1.924 40.890 39.000 -0.056 0.000 1.136 25 F HN 0.682 nan 8.300 nan 0.000 0.452 26 D N 0.867 121.325 120.400 0.095 0.000 2.249 26 D HA 0.002 4.642 4.640 -0.000 0.000 0.205 26 D C 0.196 176.535 176.300 0.066 0.000 0.962 26 D CA 1.230 55.262 54.000 0.053 0.000 0.860 26 D CB 0.472 41.283 40.800 0.018 0.000 0.955 26 D HN 0.407 nan 8.370 nan 0.000 0.505 27 E N -0.541 119.721 120.200 0.103 0.000 2.292 27 E HA 0.463 4.813 4.350 -0.000 0.000 0.272 27 E C -0.197 176.447 176.600 0.075 0.000 0.881 27 E CA -0.682 55.760 56.400 0.069 0.000 0.754 27 E CB 2.122 31.852 29.700 0.050 0.000 1.201 27 E HN 0.053 nan 8.360 nan 0.000 0.425 28 G N 2.890 111.697 108.800 0.011 0.000 2.666 28 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.185 28 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.185 28 G C -0.255 174.550 174.900 -0.158 0.000 0.483 28 G CA -0.086 44.984 45.100 -0.050 0.000 0.902 28 G HN 0.355 nan 8.290 nan 0.000 0.380 29 L N 5.226 126.333 121.223 -0.193 0.000 2.349 29 L HA 0.351 4.691 4.340 -0.000 0.000 0.275 29 L C -1.091 175.553 176.870 -0.377 0.000 1.115 29 L CA -1.748 52.865 54.840 -0.378 0.000 0.820 29 L CB 1.224 43.055 42.059 -0.380 0.000 1.135 29 L HN 0.419 nan 8.230 nan 0.000 0.445 30 P HA 0.199 nan 4.420 nan 0.000 0.276 30 P C -2.603 174.678 177.300 -0.033 0.000 1.235 30 P CA -1.387 61.523 63.100 -0.317 0.000 0.772 30 P CB 0.287 31.728 31.700 -0.431 0.000 0.871 31 P HA 0.143 nan 4.420 nan 0.000 0.270 31 P C 0.461 177.742 177.300 -0.032 0.000 1.223 31 P CA -0.107 63.004 63.100 0.019 0.000 0.785 31 P CB 0.447 32.120 31.700 -0.044 0.000 0.923 32 I N 2.326 122.806 120.570 -0.150 0.000 2.845 32 I HA -0.151 4.019 4.170 -0.000 0.000 0.296 32 I C 1.523 177.562 176.117 -0.131 0.000 1.216 32 I CA 0.741 61.954 61.300 -0.146 0.000 1.438 32 I CB -0.405 37.469 38.000 -0.210 0.000 1.342 32 I HN 0.437 nan 8.210 nan 0.000 0.577 33 L N 1.821 122.964 121.223 -0.134 0.000 4.383 33 L HA -0.250 4.090 4.340 -0.000 0.000 0.402 33 L C 0.267 177.091 176.870 -0.076 0.000 0.803 33 L CA 0.112 54.844 54.840 -0.181 0.000 2.175 33 L CB -1.484 40.392 42.059 -0.306 0.000 1.434 33 L HN 0.695 nan 8.230 nan 0.000 0.591 34 N N 1.232 119.903 118.700 -0.047 0.000 2.454 34 N HA 0.441 5.181 4.740 -0.000 0.000 0.254 34 N C 0.290 175.804 175.510 0.006 0.000 1.228 34 N CA 0.964 54.002 53.050 -0.021 0.000 0.900 34 N CB 0.842 39.306 38.487 -0.039 0.000 1.089 34 N HN 0.303 nan 8.380 nan 0.000 0.449 35 A N 2.888 125.720 122.820 0.018 0.000 2.309 35 A HA 0.468 4.788 4.320 -0.000 0.000 0.290 35 A C -0.255 177.348 177.584 0.031 0.000 1.206 35 A CA -0.457 51.599 52.037 0.031 0.000 0.850 35 A CB -0.150 18.867 19.000 0.029 0.000 1.118 35 A HN 0.626 nan 8.150 nan 0.000 0.523 36 L N 2.210 123.464 121.223 0.052 0.000 2.334 36 L HA 0.539 4.879 4.340 -0.000 0.000 0.272 36 L C -0.095 176.810 176.870 0.058 0.000 1.020 36 L CA -0.753 54.134 54.840 0.078 0.000 0.812 36 L CB 1.521 43.664 42.059 0.139 0.000 1.264 36 L HN 0.604 nan 8.230 nan 0.000 0.439 37 E N 2.071 122.304 120.200 0.054 0.000 2.176 37 E HA 0.349 4.699 4.350 -0.000 0.000 0.267 37 E C -0.999 175.617 176.600 0.027 0.000 0.893 37 E CA -0.686 55.733 56.400 0.032 0.000 0.761 37 E CB 2.740 32.452 29.700 0.020 0.000 1.133 37 E HN 0.194 nan 8.360 nan 0.000 0.409 38 V N 3.609 123.533 119.914 0.017 0.000 2.530 38 V HA 0.024 4.144 4.120 -0.000 0.000 0.282 38 V C 0.614 176.708 176.094 -0.000 0.000 1.048 38 V CA -0.506 61.797 62.300 0.005 0.000 0.997 38 V CB 0.855 32.679 31.823 0.002 0.000 0.987 38 V HN 0.500 nan 8.190 nan 0.000 0.477 39 Q N 2.265 122.060 119.800 -0.008 0.000 2.317 39 Q HA 0.424 4.764 4.340 -0.000 0.000 0.229 39 Q C 1.218 177.212 176.000 -0.010 0.000 0.984 39 Q CA 0.469 56.267 55.803 -0.009 0.000 0.911 39 Q CB 0.946 29.677 28.738 -0.013 0.000 1.217 39 Q HN 1.171 nan 8.270 nan 0.000 0.501 40 G N 1.363 110.158 108.800 -0.009 0.000 2.221 40 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.265 40 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.265 40 G C -0.179 174.717 174.900 -0.007 0.000 1.041 40 G CA 0.081 45.176 45.100 -0.009 0.000 0.807 40 G HN 0.277 nan 8.290 nan 0.000 0.502 41 R N -0.476 120.021 120.500 -0.004 0.000 2.711 41 R HA 0.429 4.769 4.340 -0.000 0.000 0.284 41 R C 1.194 177.493 176.300 -0.001 0.000 0.968 41 R CA -0.587 55.511 56.100 -0.003 0.000 0.924 41 R CB 1.011 31.310 30.300 -0.001 0.000 1.162 41 R HN 0.409 nan 8.270 nan 0.000 0.465 42 E N 0.614 120.813 120.200 -0.001 0.000 2.051 42 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 42 E C 0.287 176.888 176.600 0.001 0.000 0.991 42 E CA 1.490 57.890 56.400 -0.000 0.000 0.799 42 E CB 0.132 29.832 29.700 0.000 0.000 0.748 42 E HN 0.653 nan 8.360 nan 0.000 0.449 43 T N -1.129 113.426 114.554 0.002 0.000 2.888 43 T HA 0.383 4.733 4.350 -0.000 0.000 0.284 43 T C -0.170 174.532 174.700 0.004 0.000 1.017 43 T CA -1.037 61.065 62.100 0.004 0.000 1.022 43 T CB 2.378 71.249 68.868 0.004 0.000 1.013 43 T HN -0.046 nan 8.240 nan 0.000 0.465 44 R N 0.959 121.462 120.500 0.006 0.000 2.504 44 R HA 0.250 4.590 4.340 -0.000 0.000 0.291 44 R C -0.960 175.345 176.300 0.008 0.000 0.974 44 R CA -0.335 55.769 56.100 0.006 0.000 1.077 44 R CB -0.134 30.170 30.300 0.007 0.000 0.926 44 R HN 0.604 nan 8.270 nan 0.000 0.407 45 L N 5.962 127.191 121.223 0.009 0.000 2.377 45 L HA 0.341 4.681 4.340 -0.000 0.000 0.270 45 L C -1.328 175.551 176.870 0.016 0.000 0.991 45 L CA -0.518 54.328 54.840 0.011 0.000 0.851 45 L CB 1.815 43.879 42.059 0.008 0.000 1.218 45 L HN 0.341 nan 8.230 nan 0.000 0.420 46 V N 5.960 125.886 119.914 0.020 0.000 2.567 46 V HA 0.444 4.564 4.120 -0.000 0.000 0.289 46 V C 0.079 176.191 176.094 0.031 0.000 1.049 46 V CA -0.472 61.844 62.300 0.026 0.000 0.969 46 V CB 1.597 33.437 31.823 0.027 0.000 0.995 46 V HN 0.591 nan 8.190 nan 0.000 0.471 47 L N 4.249 125.496 121.223 0.040 0.000 2.325 47 L HA 0.556 4.896 4.340 -0.000 0.000 0.281 47 L C -0.017 176.883 176.870 0.050 0.000 1.004 47 L CA -0.292 54.575 54.840 0.045 0.000 0.823 47 L CB 1.747 43.839 42.059 0.054 0.000 1.236 47 L HN 0.678 nan 8.230 nan 0.000 0.415 48 E N 3.209 123.437 120.200 0.046 0.000 2.146 48 E HA 0.306 4.656 4.350 -0.000 0.000 0.282 48 E C -0.841 175.777 176.600 0.031 0.000 0.989 48 E CA -0.768 55.658 56.400 0.044 0.000 0.799 48 E CB 1.747 31.485 29.700 0.064 0.000 1.088 48 E HN 0.333 nan 8.360 nan 0.000 0.397 49 V N 4.337 124.265 119.914 0.024 0.000 2.557 49 V HA 0.007 4.127 4.120 -0.000 0.000 0.301 49 V C 0.990 177.083 176.094 -0.001 0.000 1.026 49 V CA 1.096 63.414 62.300 0.030 0.000 1.137 49 V CB 0.727 32.570 31.823 0.034 0.000 0.917 49 V HN 0.889 nan 8.190 nan 0.000 0.484 50 A N 4.225 127.054 122.820 0.014 0.000 2.055 50 A HA 0.339 4.659 4.320 -0.000 0.000 0.205 50 A C 0.692 178.269 177.584 -0.012 0.000 1.235 50 A CA 0.229 52.259 52.037 -0.012 0.000 0.822 50 A CB 0.367 19.365 19.000 -0.003 0.000 0.903 50 A HN 0.790 nan 8.150 nan 0.000 0.473 51 Q N -1.249 118.574 119.800 0.039 0.000 2.482 51 Q HA 0.372 4.712 4.340 -0.000 0.000 0.286 51 Q C -1.647 174.479 176.000 0.209 0.000 1.007 51 Q CA -0.604 55.231 55.803 0.054 0.000 0.801 51 Q CB 1.661 30.423 28.738 0.041 0.000 1.455 51 Q HN 0.585 nan 8.270 nan 0.000 0.398 52 H N 1.649 120.714 119.070 -0.010 0.000 2.641 52 H HA 0.251 4.807 4.556 -0.000 0.000 0.295 52 H C 0.534 175.865 175.328 0.004 0.000 1.070 52 H CA -0.279 55.767 56.048 -0.003 0.000 1.257 52 H CB 0.992 30.747 29.762 -0.013 0.000 1.393 52 H HN 0.429 nan 8.280 nan 0.000 0.464 53 L N 2.857 124.138 121.223 0.097 0.000 2.395 53 L HA 0.097 4.437 4.340 -0.000 0.000 0.218 53 L C 1.179 178.073 176.870 0.040 0.000 1.130 53 L CA 0.642 55.516 54.840 0.057 0.000 0.826 53 L CB -0.078 42.004 42.059 0.038 0.000 0.941 53 L HN 0.902 nan 8.230 nan 0.000 0.451 54 G N -0.013 108.805 108.800 0.031 0.000 2.603 54 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.686 54 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.686 54 G C -0.055 174.845 174.900 0.001 0.000 1.286 54 G CA -0.441 44.668 45.100 0.016 0.000 0.871 54 G HN 0.324 nan 8.290 nan 0.000 0.568 55 E N -0.981 119.218 120.200 -0.001 0.000 2.440 55 E HA -0.244 4.106 4.350 -0.000 0.000 0.246 55 E C 0.936 177.533 176.600 -0.006 0.000 1.165 55 E CA 1.007 57.405 56.400 -0.003 0.000 0.726 55 E CB -1.791 27.909 29.700 0.000 0.000 1.271 55 E HN 2.024 nan 8.360 nan 0.000 0.397 56 S N -2.000 113.689 115.700 -0.019 0.000 3.476 56 S HA -0.192 4.278 4.470 -0.000 0.000 0.309 56 S C 0.161 174.770 174.600 0.015 0.000 1.222 56 S CA 1.567 59.758 58.200 -0.015 0.000 0.922 56 S CB -0.897 62.312 63.200 0.015 0.000 1.023 56 S HN 0.488 nan 8.310 nan 0.000 0.591 57 T N 1.451 116.003 114.554 -0.004 0.000 2.829 57 T HA 0.651 5.001 4.350 -0.000 0.000 0.280 57 T C 0.249 174.962 174.700 0.021 0.000 0.999 57 T CA -0.267 61.851 62.100 0.030 0.000 0.983 57 T CB 1.857 70.735 68.868 0.018 0.000 0.968 57 T HN 0.496 nan 8.240 nan 0.000 0.446 58 V N 1.231 121.193 119.914 0.079 0.000 2.919 58 V HA 0.777 4.897 4.120 -0.000 0.000 0.316 58 V C -0.345 175.806 176.094 0.095 0.000 1.077 58 V CA -1.443 60.911 62.300 0.090 0.000 0.977 58 V CB 1.806 33.698 31.823 0.115 0.000 1.039 58 V HN 0.840 nan 8.190 nan 0.000 0.441 59 R N 1.626 122.180 120.500 0.090 0.000 2.393 59 R HA 0.746 5.086 4.340 -0.000 0.000 0.310 59 R C -0.194 176.142 176.300 0.059 0.000 0.968 59 R CA 0.333 56.470 56.100 0.062 0.000 0.867 59 R CB 1.570 31.897 30.300 0.045 0.000 1.124 59 R HN 1.199 nan 8.270 nan 0.000 0.450 60 T N 0.907 115.491 114.554 0.049 0.000 2.887 60 T HA 0.588 4.938 4.350 -0.000 0.000 0.292 60 T C -0.261 174.456 174.700 0.027 0.000 1.087 60 T CA -0.840 61.286 62.100 0.044 0.000 1.009 60 T CB 1.226 70.130 68.868 0.060 0.000 1.203 60 T HN 0.426 nan 8.240 nan 0.000 0.518 61 I N 1.302 121.887 120.570 0.025 0.000 2.466 61 I HA 0.603 4.773 4.170 -0.000 0.000 0.289 61 I C 0.434 176.563 176.117 0.021 0.000 1.026 61 I CA -1.169 60.140 61.300 0.016 0.000 1.078 61 I CB 1.794 39.799 38.000 0.008 0.000 1.249 61 I HN 1.001 nan 8.210 nan 0.000 0.429 62 A N 6.711 129.540 122.820 0.015 0.000 2.371 62 A HA 0.457 4.777 4.320 -0.000 0.000 0.257 62 A C 0.746 178.339 177.584 0.015 0.000 1.089 62 A CA -0.212 51.834 52.037 0.016 0.000 0.794 62 A CB 0.487 19.493 19.000 0.011 0.000 1.029 62 A HN 0.763 nan 8.150 nan 0.000 0.488 63 M N 0.533 120.144 119.600 0.019 0.000 2.441 63 M HA 0.183 4.663 4.480 -0.000 0.000 0.244 63 M C -0.085 176.224 176.300 0.015 0.000 1.122 63 M CA 0.624 55.935 55.300 0.019 0.000 1.041 63 M CB -0.733 31.882 32.600 0.025 0.000 1.438 63 M HN 0.804 nan 8.290 nan 0.000 0.484 64 D N -1.125 119.282 120.400 0.012 0.000 2.664 64 D HA 0.466 5.106 4.640 -0.000 0.000 0.292 64 D C -0.491 175.813 176.300 0.006 0.000 1.214 64 D CA -0.200 53.806 54.000 0.009 0.000 0.932 64 D CB 1.478 42.284 40.800 0.010 0.000 1.420 64 D HN 0.110 nan 8.370 nan 0.000 0.471 65 G N -0.889 107.914 108.800 0.004 0.000 2.484 65 G HA2 0.316 4.276 3.960 -0.000 0.000 0.235 65 G HA3 0.316 4.276 3.960 -0.000 0.000 0.235 65 G C 0.780 175.681 174.900 0.001 0.000 1.282 65 G CA 0.545 45.647 45.100 0.002 0.000 0.857 65 G HN 0.410 nan 8.290 nan 0.000 0.571 66 T N -1.443 113.111 114.554 -0.000 0.000 3.134 66 T HA 0.163 4.513 4.350 -0.000 0.000 0.260 66 T C 0.710 175.408 174.700 -0.003 0.000 1.027 66 T CA -0.070 62.029 62.100 -0.001 0.000 0.913 66 T CB 0.058 68.925 68.868 -0.001 0.000 1.046 66 T HN 0.663 nan 8.240 nan 0.000 0.553 67 E N 1.943 122.141 120.200 -0.002 0.000 2.452 67 E HA 0.262 4.612 4.350 -0.000 0.000 0.261 67 E C 1.155 177.752 176.600 -0.004 0.000 0.987 67 E CA 0.758 57.156 56.400 -0.003 0.000 0.926 67 E CB 0.096 29.794 29.700 -0.002 0.000 0.934 67 E HN 0.476 nan 8.360 nan 0.000 0.452 68 G N 2.834 111.631 108.800 -0.005 0.000 2.199 68 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.254 68 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.254 68 G C 0.321 175.217 174.900 -0.008 0.000 0.982 68 G CA 0.215 45.311 45.100 -0.006 0.000 0.632 68 G HN 0.488 nan 8.290 nan 0.000 0.529 69 L N 0.747 121.965 121.223 -0.008 0.000 2.439 69 L HA 0.549 4.889 4.340 -0.000 0.000 0.269 69 L C 0.612 177.474 176.870 -0.013 0.000 1.179 69 L CA -0.454 54.379 54.840 -0.011 0.000 0.828 69 L CB 1.269 43.322 42.059 -0.011 0.000 1.106 69 L HN -0.001 nan 8.230 nan 0.000 0.467 70 V N 2.601 122.505 119.914 -0.017 0.000 2.823 70 V HA 0.398 4.518 4.120 -0.000 0.000 0.312 70 V C 0.033 176.112 176.094 -0.024 0.000 1.072 70 V CA -0.969 61.320 62.300 -0.019 0.000 0.937 70 V CB 2.074 33.886 31.823 -0.018 0.000 1.013 70 V HN 0.673 nan 8.190 nan 0.000 0.430 71 R N 1.738 122.223 120.500 -0.024 0.000 2.570 71 R HA 0.432 4.772 4.340 -0.000 0.000 0.277 71 R C 1.277 177.556 176.300 -0.036 0.000 1.039 71 R CA 1.072 57.154 56.100 -0.030 0.000 1.065 71 R CB 0.218 30.503 30.300 -0.026 0.000 0.964 71 R HN 1.213 nan 8.270 nan 0.000 0.428 72 G N 1.385 110.156 108.800 -0.048 0.000 2.194 72 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.236 72 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.236 72 G C 0.185 175.050 174.900 -0.059 0.000 0.987 72 G CA 0.093 45.160 45.100 -0.054 0.000 0.635 72 G HN 0.598 nan 8.290 nan 0.000 0.520 73 Q N 1.064 120.833 119.800 -0.053 0.000 2.361 73 Q HA 0.440 4.780 4.340 -0.000 0.000 0.276 73 Q C 0.435 176.394 176.000 -0.068 0.000 1.022 73 Q CA 0.164 55.938 55.803 -0.049 0.000 0.898 73 Q CB 0.347 29.063 28.738 -0.036 0.000 1.246 73 Q HN 0.411 nan 8.270 nan 0.000 0.410 74 K N 1.669 122.032 120.400 -0.060 0.000 2.185 74 K HA 0.406 4.726 4.320 -0.000 0.000 0.271 74 K C -1.160 175.400 176.600 -0.068 0.000 1.013 74 K CA -0.504 55.737 56.287 -0.077 0.000 0.943 74 K CB 1.330 33.796 32.500 -0.056 0.000 0.998 74 K HN 0.373 nan 8.250 nan 0.000 0.468 75 V N 4.063 123.920 119.914 -0.096 0.000 2.760 75 V HA 0.381 4.501 4.120 -0.000 0.000 0.309 75 V C -0.516 175.588 176.094 0.016 0.000 1.077 75 V CA -0.962 61.312 62.300 -0.043 0.000 0.910 75 V CB 1.713 33.498 31.823 -0.065 0.000 1.008 75 V HN 0.582 nan 8.190 nan 0.000 0.424 76 L N 2.388 123.655 121.223 0.073 0.000 2.334 76 L HA 0.639 4.979 4.340 -0.000 0.000 0.272 76 L C -0.545 176.424 176.870 0.164 0.000 1.020 76 L CA -0.649 54.266 54.840 0.125 0.000 0.812 76 L CB 1.860 43.958 42.059 0.065 0.000 1.264 76 L HN 0.589 nan 8.230 nan 0.000 0.439 77 D N 0.216 120.721 120.400 0.175 0.000 2.280 77 D HA 0.100 4.740 4.640 -0.000 0.000 0.243 77 D C 0.930 177.247 176.300 0.027 0.000 1.129 77 D CA -0.283 53.761 54.000 0.073 0.000 0.848 77 D CB 1.642 42.423 40.800 -0.032 0.000 1.107 77 D HN 0.539 nan 8.370 nan 0.000 0.471 78 S N 2.549 118.255 115.700 0.011 0.000 2.522 78 S HA 0.153 4.623 4.470 -0.000 0.000 0.227 78 S C 1.721 176.308 174.600 -0.022 0.000 0.986 78 S CA 0.517 58.712 58.200 -0.008 0.000 0.929 78 S CB -0.200 62.991 63.200 -0.015 0.000 0.769 78 S HN 0.951 nan 8.310 nan 0.000 0.529 79 G N 0.249 109.033 108.800 -0.027 0.000 2.176 79 G HA2 0.068 4.028 3.960 -0.000 0.000 0.253 79 G HA3 0.068 4.028 3.960 -0.000 0.000 0.253 79 G C 0.163 175.046 174.900 -0.029 0.000 0.979 79 G CA -0.123 44.958 45.100 -0.033 0.000 0.641 79 G HN 1.574 nan 8.290 nan 0.000 0.530 80 A N -0.944 121.862 122.820 -0.023 0.000 2.581 80 A HA 0.917 5.237 4.320 -0.000 0.000 0.290 80 A C -3.025 174.561 177.584 0.002 0.000 1.119 80 A CA -0.649 51.380 52.037 -0.013 0.000 0.670 80 A CB 0.935 19.925 19.000 -0.016 0.000 1.280 80 A HN 0.114 nan 8.150 nan 0.000 0.425 81 P HA 0.358 nan 4.420 nan 0.000 0.273 81 P C -0.359 176.980 177.300 0.065 0.000 1.250 81 P CA -0.285 62.856 63.100 0.068 0.000 0.793 81 P CB 0.203 31.983 31.700 0.133 0.000 1.011 82 I N 0.953 121.578 120.570 0.091 0.000 2.821 82 I HA -0.102 4.068 4.170 -0.000 0.000 0.294 82 I C 1.105 177.249 176.117 0.045 0.000 1.210 82 I CA 1.087 62.421 61.300 0.056 0.000 1.430 82 I CB -0.204 37.831 38.000 0.058 0.000 1.356 82 I HN 0.165 nan 8.210 nan 0.000 0.563 83 R N 7.099 127.618 120.500 0.032 0.000 2.599 83 R HA 0.745 5.085 4.340 -0.000 0.000 0.295 83 R C -0.759 175.629 176.300 0.147 0.000 0.963 83 R CA -0.746 55.394 56.100 0.066 0.000 0.883 83 R CB 2.132 32.441 30.300 0.016 0.000 1.171 83 R HN 0.589 nan 8.270 nan 0.000 0.450 84 I N -1.491 119.204 120.570 0.209 0.000 3.002 84 I HA 0.670 4.840 4.170 -0.000 0.000 0.310 84 I C -2.637 173.573 176.117 0.154 0.000 1.087 84 I CA -3.401 58.032 61.300 0.222 0.000 1.017 84 I CB 2.339 40.371 38.000 0.054 0.000 1.226 84 I HN 0.300 nan 8.210 nan 0.000 0.443 85 P HA 0.179 nan 4.420 nan 0.000 0.268 85 P C -0.689 176.370 177.300 -0.402 0.000 1.204 85 P CA -0.068 62.703 63.100 -0.548 0.000 0.768 85 P CB 0.843 32.301 31.700 -0.404 0.000 0.842 86 V N -0.066 119.523 119.914 -0.542 0.000 3.040 86 V HA 1.018 5.138 4.120 -0.000 0.000 0.312 86 V C 0.066 175.592 176.094 -0.946 0.000 1.115 86 V CA -0.209 61.702 62.300 -0.648 0.000 0.998 86 V CB 1.428 32.892 31.823 -0.599 0.000 1.042 86 V HN 0.954 nan 8.190 nan 0.000 0.433 87 G N 2.331 110.416 108.800 -1.191 0.000 2.373 87 G HA2 0.071 4.031 3.960 -0.000 0.000 0.634 87 G HA3 0.071 4.031 3.960 -0.000 0.000 0.634 87 G C -2.651 172.104 174.900 -0.241 0.000 1.267 87 G CA -0.059 44.484 45.100 -0.928 0.000 1.008 87 G HN 0.682 nan 8.290 nan 0.000 0.497 88 P HA 0.068 nan 4.420 nan 0.000 0.222 88 P C 1.168 178.450 177.300 -0.029 0.000 1.147 88 P CA 1.459 64.585 63.100 0.042 0.000 0.790 88 P CB 0.037 31.769 31.700 0.054 0.000 0.780 89 E N -1.359 118.793 120.200 -0.081 0.000 2.511 89 E HA -0.045 4.305 4.350 -0.000 0.000 0.196 89 E C 1.499 178.054 176.600 -0.074 0.000 1.066 89 E CA 0.913 57.266 56.400 -0.078 0.000 0.871 89 E CB -0.895 28.744 29.700 -0.101 0.000 0.863 89 E HN 0.388 nan 8.360 nan 0.000 0.520 90 T N -2.097 112.419 114.554 -0.062 0.000 3.057 90 T HA 0.135 4.485 4.350 -0.000 0.000 0.254 90 T C 0.778 175.493 174.700 0.026 0.000 1.094 90 T CA -0.210 61.873 62.100 -0.030 0.000 1.088 90 T CB -0.030 68.809 68.868 -0.049 0.000 0.934 90 T HN -0.016 nan 8.240 nan 0.000 0.497 91 L N 2.044 123.277 121.223 0.017 0.000 2.410 91 L HA 0.479 4.819 4.340 -0.000 0.000 0.273 91 L C 1.659 178.538 176.870 0.015 0.000 1.144 91 L CA 0.773 55.605 54.840 -0.014 0.000 0.863 91 L CB 0.296 42.271 42.059 -0.140 0.000 1.140 91 L HN 0.545 nan 8.230 nan 0.000 0.463 92 G N 1.959 110.789 108.800 0.050 0.000 2.205 92 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.261 92 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.261 92 G C 0.459 175.424 174.900 0.108 0.000 0.980 92 G CA -0.346 44.804 45.100 0.082 0.000 0.632 92 G HN 0.464 nan 8.290 nan 0.000 0.533 93 R N -0.094 120.446 120.500 0.068 0.000 2.607 93 R HA 0.767 5.107 4.340 -0.000 0.000 0.261 93 R C 0.357 176.669 176.300 0.020 0.000 1.051 93 R CA -0.914 55.210 56.100 0.041 0.000 1.110 93 R CB 0.542 30.849 30.300 0.012 0.000 1.158 93 R HN 0.320 nan 8.270 nan 0.000 0.543 94 I N 2.726 123.270 120.570 -0.043 0.000 2.389 94 I HA 0.371 4.541 4.170 -0.000 0.000 0.288 94 I C 0.406 176.516 176.117 -0.012 0.000 0.999 94 I CA -0.606 60.666 61.300 -0.046 0.000 1.129 94 I CB 1.387 39.263 38.000 -0.206 0.000 1.288 94 I HN 0.372 nan 8.210 nan 0.000 0.444 95 M N 4.842 124.460 119.600 0.030 0.000 2.664 95 M HA 0.600 5.080 4.480 -0.000 0.000 0.314 95 M C -0.916 175.413 176.300 0.048 0.000 1.200 95 M CA -0.646 54.668 55.300 0.024 0.000 0.916 95 M CB 2.067 34.673 32.600 0.010 0.000 1.717 95 M HN 0.495 nan 8.290 nan 0.000 0.470 96 N N 1.162 119.884 118.700 0.037 0.000 2.566 96 N HA 0.193 4.933 4.740 -0.000 0.000 0.299 96 N C 0.532 176.059 175.510 0.029 0.000 1.277 96 N CA -0.730 52.347 53.050 0.044 0.000 0.965 96 N CB 0.247 38.755 38.487 0.034 0.000 1.142 96 N HN 0.624 nan 8.380 nan 0.000 0.596 97 V N -0.358 119.572 119.914 0.027 0.000 2.392 97 V HA -0.138 3.982 4.120 -0.000 0.000 0.249 97 V C 1.623 177.725 176.094 0.013 0.000 1.059 97 V CA 1.912 64.222 62.300 0.016 0.000 1.051 97 V CB -0.783 31.051 31.823 0.018 0.000 0.658 97 V HN 0.640 nan 8.190 nan 0.000 0.455 98 I N -1.927 118.655 120.570 0.021 0.000 3.855 98 I HA 0.524 4.694 4.170 -0.000 0.000 0.327 98 I C 1.287 177.426 176.117 0.036 0.000 1.359 98 I CA 0.550 61.865 61.300 0.026 0.000 1.142 98 I CB -0.394 37.621 38.000 0.025 0.000 1.041 98 I HN 0.308 nan 8.210 nan 0.000 0.403 99 G N 1.153 109.973 108.800 0.032 0.000 2.136 99 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.242 99 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.242 99 G C -0.151 174.776 174.900 0.045 0.000 0.989 99 G CA -0.010 45.115 45.100 0.040 0.000 0.682 99 G HN 0.654 nan 8.290 nan 0.000 0.522 100 E N 1.258 121.479 120.200 0.035 0.000 2.313 100 E HA 0.403 4.753 4.350 -0.000 0.000 0.272 100 E C -2.311 174.298 176.600 0.015 0.000 1.038 100 E CA -1.998 54.419 56.400 0.029 0.000 0.863 100 E CB 1.277 30.991 29.700 0.023 0.000 1.060 100 E HN 0.151 nan 8.360 nan 0.000 0.402 101 P HA 0.032 nan 4.420 nan 0.000 0.271 101 P C -0.061 177.230 177.300 -0.014 0.000 1.226 101 P CA 0.412 63.509 63.100 -0.004 0.000 0.765 101 P CB 0.080 31.780 31.700 -0.001 0.000 0.835 102 I N 0.061 120.610 120.570 -0.035 0.000 3.424 102 I HA 0.321 4.491 4.170 -0.000 0.000 0.339 102 I C -0.196 175.862 176.117 -0.099 0.000 1.549 102 I CA -0.375 60.895 61.300 -0.050 0.000 1.049 102 I CB 0.102 38.077 38.000 -0.042 0.000 1.439 102 I HN 0.037 nan 8.210 nan 0.000 0.500 103 D N -0.100 120.247 120.400 -0.088 0.000 2.540 103 D HA 0.051 4.691 4.640 -0.000 0.000 0.229 103 D C 0.379 176.668 176.300 -0.018 0.000 1.250 103 D CA -0.285 53.651 54.000 -0.107 0.000 0.817 103 D CB -0.054 40.653 40.800 -0.155 0.000 1.060 103 D HN 0.430 nan 8.370 nan 0.000 0.508 104 E N 0.095 120.289 120.200 -0.009 0.000 2.722 104 E HA -0.259 4.091 4.350 -0.000 0.000 0.265 104 E C 0.293 176.906 176.600 0.021 0.000 1.081 104 E CA 0.367 56.774 56.400 0.010 0.000 0.781 104 E CB -1.076 28.636 29.700 0.020 0.000 1.372 104 E HN 0.439 nan 8.360 nan 0.000 0.423 105 R N -0.071 120.441 120.500 0.020 0.000 2.546 105 R HA 0.285 4.625 4.340 -0.000 0.000 0.320 105 R C 0.814 177.126 176.300 0.019 0.000 1.021 105 R CA 0.363 56.479 56.100 0.027 0.000 1.088 105 R CB 1.219 31.544 30.300 0.041 0.000 1.278 105 R HN 0.289 nan 8.270 nan 0.000 0.557 106 G N 2.069 110.878 108.800 0.014 0.000 2.757 106 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.638 106 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.638 106 G C -2.593 172.314 174.900 0.012 0.000 1.344 106 G CA -1.313 43.795 45.100 0.013 0.000 0.855 106 G HN -0.009 nan 8.290 nan 0.000 0.537 107 P HA 0.326 nan 4.420 nan 0.000 0.269 107 P C 0.220 177.524 177.300 0.007 0.000 1.211 107 P CA -0.031 63.080 63.100 0.018 0.000 0.781 107 P CB 0.306 32.021 31.700 0.026 0.000 0.877 108 I N 2.213 122.785 120.570 0.002 0.000 2.310 108 I HA 0.136 4.306 4.170 -0.000 0.000 0.287 108 I C 0.640 176.725 176.117 -0.054 0.000 1.073 108 I CA -0.369 60.911 61.300 -0.033 0.000 1.216 108 I CB 0.170 38.139 38.000 -0.053 0.000 1.415 108 I HN 0.112 nan 8.210 nan 0.000 0.480 109 K N 5.491 125.863 120.400 -0.048 0.000 2.307 109 K HA 0.177 4.497 4.320 -0.000 0.000 0.240 109 K C 0.427 176.968 176.600 -0.098 0.000 1.214 109 K CA -0.285 55.975 56.287 -0.046 0.000 1.149 109 K CB -0.168 32.322 32.500 -0.017 0.000 1.668 109 K HN 0.569 nan 8.250 nan 0.000 0.314 110 T N -1.836 112.598 114.554 -0.201 0.000 2.824 110 T HA 0.201 4.551 4.350 -0.000 0.000 0.277 110 T C 1.018 175.593 174.700 -0.209 0.000 0.975 110 T CA -0.734 61.207 62.100 -0.264 0.000 0.966 110 T CB 1.428 70.019 68.868 -0.462 0.000 1.054 110 T HN 0.241 nan 8.240 nan 0.000 0.533 111 K N -0.246 120.047 120.400 -0.179 0.000 2.242 111 K HA 0.128 4.448 4.320 -0.000 0.000 0.200 111 K C 0.556 177.102 176.600 -0.089 0.000 1.050 111 K CA 0.461 56.698 56.287 -0.083 0.000 0.981 111 K CB 0.140 32.615 32.500 -0.041 0.000 0.795 111 K HN 0.463 nan 8.250 nan 0.000 0.477 112 Q N -0.367 119.299 119.800 -0.223 0.000 2.257 112 Q HA 0.477 4.817 4.340 -0.000 0.000 0.262 112 Q C -1.150 174.570 176.000 -0.468 0.000 0.997 112 Q CA -0.324 55.358 55.803 -0.202 0.000 0.873 112 Q CB 1.374 30.000 28.738 -0.185 0.000 1.312 112 Q HN -0.043 nan 8.270 nan 0.000 0.450 113 F N 0.009 119.912 119.950 -0.078 0.000 2.588 113 F HA 0.831 5.358 4.527 -0.000 0.000 0.314 113 F C -0.615 175.152 175.800 -0.054 0.000 1.069 113 F CA -0.879 57.077 58.000 -0.074 0.000 0.931 113 F CB 2.068 41.041 39.000 -0.045 0.000 1.260 113 F HN 0.546 nan 8.300 nan 0.000 0.465 114 A N 1.477 124.377 122.820 0.134 0.000 2.449 114 A HA 0.839 5.159 4.320 -0.000 0.000 0.302 114 A C -1.157 176.469 177.584 0.070 0.000 1.048 114 A CA -0.657 51.426 52.037 0.077 0.000 0.708 114 A CB 1.087 20.104 19.000 0.029 0.000 1.274 114 A HN 1.017 nan 8.150 nan 0.000 0.410 115 A N 1.130 123.983 122.820 0.056 0.000 2.445 115 A HA 0.466 4.786 4.320 -0.000 0.000 0.242 115 A C 1.065 178.653 177.584 0.007 0.000 1.075 115 A CA 0.242 52.307 52.037 0.048 0.000 0.777 115 A CB -0.329 18.709 19.000 0.063 0.000 1.013 115 A HN 1.698 nan 8.150 nan 0.000 0.493 116 I N -1.145 119.402 120.570 -0.040 0.000 3.251 116 I HA 0.111 4.281 4.170 -0.000 0.000 0.277 116 I C 0.139 176.075 176.117 -0.302 0.000 1.268 116 I CA 0.309 61.513 61.300 -0.160 0.000 1.449 116 I CB -0.278 37.603 38.000 -0.198 0.000 1.083 116 I HN 0.473 nan 8.210 nan 0.000 0.464 117 H N 2.343 121.416 119.070 0.005 0.000 2.457 117 H HA 0.833 5.389 4.556 -0.000 0.000 0.335 117 H C -0.579 174.748 175.328 -0.000 0.000 1.115 117 H CA -0.243 55.806 56.048 0.003 0.000 1.219 117 H CB 1.920 31.684 29.762 0.004 0.000 1.471 117 H HN 0.382 nan 8.280 nan 0.000 0.491 118 A N 2.811 125.695 122.820 0.107 0.000 2.599 118 A HA 0.269 4.589 4.320 -0.000 0.000 0.294 118 A C -0.765 176.846 177.584 0.044 0.000 1.055 118 A CA -0.937 51.135 52.037 0.058 0.000 0.683 118 A CB 1.417 20.432 19.000 0.025 0.000 1.278 118 A HN 0.583 nan 8.150 nan 0.000 0.412 119 E N 0.972 121.191 120.200 0.032 0.000 2.373 119 E HA 0.428 4.778 4.350 -0.000 0.000 0.267 119 E C 0.703 177.313 176.600 0.018 0.000 1.032 119 E CA 0.316 56.731 56.400 0.026 0.000 0.889 119 E CB 1.258 30.970 29.700 0.021 0.000 0.984 119 E HN 0.885 nan 8.360 nan 0.000 0.425 120 A N 4.351 127.181 122.820 0.018 0.000 2.448 120 A HA 0.246 4.566 4.320 -0.000 0.000 0.239 120 A C -1.997 175.596 177.584 0.015 0.000 1.080 120 A CA -0.951 51.093 52.037 0.012 0.000 0.779 120 A CB -0.571 18.441 19.000 0.019 0.000 1.026 120 A HN 0.334 nan 8.150 nan 0.000 0.499 121 P HA 0.092 nan 4.420 nan 0.000 0.264 121 P C -0.149 177.167 177.300 0.028 0.000 1.193 121 P CA 0.234 63.339 63.100 0.008 0.000 0.763 121 P CB 0.420 32.116 31.700 -0.007 0.000 0.810 122 E N 1.828 122.049 120.200 0.036 0.000 2.391 122 E HA 0.014 4.364 4.350 -0.000 0.000 0.255 122 E C 0.852 177.512 176.600 0.101 0.000 1.187 122 E CA -0.303 56.142 56.400 0.075 0.000 0.941 122 E CB 0.146 29.889 29.700 0.072 0.000 1.010 122 E HN 0.386 nan 8.360 nan 0.000 0.458 123 F N 1.902 121.852 119.950 -0.000 0.000 2.120 123 F HA -0.255 4.272 4.527 -0.000 0.000 0.300 123 F C 1.995 177.794 175.800 -0.003 0.000 1.095 123 F CA 2.000 60.000 58.000 -0.001 0.000 1.249 123 F CB -0.346 38.654 39.000 -0.001 0.000 0.995 123 F HN 0.292 nan 8.300 nan 0.000 0.480 124 V N -1.720 118.221 119.914 0.044 0.000 2.867 124 V HA -0.209 3.911 4.120 -0.000 0.000 0.260 124 V C 1.478 177.503 176.094 -0.116 0.000 1.099 124 V CA 2.084 64.345 62.300 -0.066 0.000 1.122 124 V CB -1.088 30.749 31.823 0.022 0.000 0.708 124 V HN 0.491 nan 8.190 nan 0.000 0.490 125 E N 0.136 120.283 120.200 -0.088 0.000 2.489 125 E HA 0.190 4.540 4.350 -0.000 0.000 0.193 125 E C 0.592 177.125 176.600 -0.112 0.000 1.057 125 E CA -0.243 56.109 56.400 -0.079 0.000 0.866 125 E CB -0.017 29.659 29.700 -0.041 0.000 0.916 125 E HN 0.498 nan 8.360 nan 0.000 0.500 126 M N 1.197 120.682 119.600 -0.190 0.000 2.248 126 M HA 0.080 4.560 4.480 -0.000 0.000 0.337 126 M C 0.478 176.683 176.300 -0.157 0.000 1.121 126 M CA 0.250 55.440 55.300 -0.183 0.000 1.155 126 M CB 0.932 33.377 32.600 -0.257 0.000 1.514 126 M HN -0.114 nan 8.290 nan 0.000 0.452 127 S N 1.596 117.233 115.700 -0.105 0.000 2.549 127 S HA 0.575 5.045 4.470 -0.000 0.000 0.297 127 S C 0.305 174.860 174.600 -0.075 0.000 1.115 127 S CA -0.816 57.334 58.200 -0.083 0.000 1.059 127 S CB 1.185 64.351 63.200 -0.057 0.000 1.046 127 S HN 0.612 nan 8.310 nan 0.000 0.506 128 V N 0.485 120.360 119.914 -0.065 0.000 3.176 128 V HA 0.519 4.639 4.120 -0.000 0.000 0.332 128 V C -0.145 175.930 176.094 -0.031 0.000 1.414 128 V CA -0.500 61.771 62.300 -0.049 0.000 1.133 128 V CB -0.324 31.469 31.823 -0.050 0.000 1.088 128 V HN 0.699 nan 8.190 nan 0.000 0.473 129 E N 1.945 122.128 120.200 -0.029 0.000 2.316 129 E HA 0.428 4.778 4.350 -0.000 0.000 0.275 129 E C -0.562 176.032 176.600 -0.011 0.000 1.029 129 E CA 0.270 56.659 56.400 -0.018 0.000 0.871 129 E CB 1.294 30.984 29.700 -0.016 0.000 1.022 129 E HN 0.656 nan 8.360 nan 0.000 0.418 130 Q N 1.940 121.737 119.800 -0.006 0.000 2.327 130 Q HA 0.354 4.694 4.340 -0.000 0.000 0.270 130 Q C -0.608 175.397 176.000 0.008 0.000 1.022 130 Q CA -0.411 55.394 55.803 0.002 0.000 0.773 130 Q CB 2.329 31.067 28.738 0.000 0.000 1.251 130 Q HN 0.486 nan 8.270 nan 0.000 0.457 131 E N 3.645 123.855 120.200 0.017 0.000 2.331 131 E HA 0.371 4.721 4.350 -0.000 0.000 0.275 131 E C -1.331 175.294 176.600 0.041 0.000 0.895 131 E CA -0.734 55.681 56.400 0.025 0.000 0.753 131 E CB 1.940 31.653 29.700 0.022 0.000 1.216 131 E HN 0.642 nan 8.360 nan 0.000 0.434 132 I N 3.946 124.546 120.570 0.049 0.000 2.754 132 I HA 0.095 4.265 4.170 -0.000 0.000 0.285 132 I C -0.868 175.296 176.117 0.078 0.000 1.166 132 I CA -0.388 60.954 61.300 0.070 0.000 1.417 132 I CB 0.553 38.600 38.000 0.078 0.000 1.382 132 I HN 0.531 nan 8.210 nan 0.000 0.588 133 L N 8.699 129.985 121.223 0.104 0.000 2.318 133 L HA 0.426 4.766 4.340 -0.000 0.000 0.277 133 L C -0.975 175.956 176.870 0.102 0.000 1.008 133 L CA -0.331 54.576 54.840 0.111 0.000 0.846 133 L CB 1.262 43.405 42.059 0.140 0.000 1.220 133 L HN 0.307 nan 8.230 nan 0.000 0.423 134 V N 4.570 124.528 119.914 0.073 0.000 2.530 134 V HA 0.262 4.382 4.120 -0.000 0.000 0.282 134 V C 1.393 177.505 176.094 0.030 0.000 1.048 134 V CA 0.541 62.868 62.300 0.045 0.000 0.997 134 V CB 1.133 32.984 31.823 0.045 0.000 0.987 134 V HN 0.939 nan 8.190 nan 0.000 0.477 135 T N 0.049 114.593 114.554 -0.015 0.000 3.014 135 T HA 0.246 4.596 4.350 -0.000 0.000 0.250 135 T C 1.414 176.096 174.700 -0.029 0.000 1.060 135 T CA 0.730 62.817 62.100 -0.022 0.000 1.040 135 T CB 0.425 69.234 68.868 -0.097 0.000 0.971 135 T HN 1.481 nan 8.240 nan 0.000 0.497 136 G N 1.655 110.441 108.800 -0.023 0.000 2.162 136 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.260 136 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.260 136 G C -0.007 174.890 174.900 -0.005 0.000 0.976 136 G CA 0.173 45.266 45.100 -0.011 0.000 0.655 136 G HN 0.667 nan 8.290 nan 0.000 0.533 137 I N 0.793 121.354 120.570 -0.016 0.000 2.307 137 I HA 0.241 4.411 4.170 -0.000 0.000 0.289 137 I C 1.613 177.737 176.117 0.010 0.000 1.021 137 I CA -0.744 60.581 61.300 0.041 0.000 1.224 137 I CB 1.226 39.266 38.000 0.067 0.000 1.376 137 I HN -0.007 nan 8.210 nan 0.000 0.470 138 K N 3.437 123.848 120.400 0.018 0.000 2.059 138 K HA -0.212 4.108 4.320 -0.000 0.000 0.212 138 K C 1.852 178.436 176.600 -0.028 0.000 1.050 138 K CA 1.542 57.836 56.287 0.011 0.000 0.927 138 K CB -0.082 32.422 32.500 0.006 0.000 0.714 138 K HN 0.574 nan 8.250 nan 0.000 0.447 139 V N 0.744 120.645 119.914 -0.022 0.000 2.427 139 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 139 V C 1.969 178.026 176.094 -0.062 0.000 1.051 139 V CA 1.413 63.676 62.300 -0.061 0.000 1.048 139 V CB 0.084 31.901 31.823 -0.011 0.000 0.666 139 V HN 0.121 nan 8.190 nan 0.000 0.456 140 V N 0.417 120.292 119.914 -0.065 0.000 2.283 140 V HA -0.167 3.953 4.120 -0.000 0.000 0.243 140 V C 2.379 178.392 176.094 -0.136 0.000 1.039 140 V CA 2.401 64.613 62.300 -0.147 0.000 1.016 140 V CB -0.763 30.851 31.823 -0.348 0.000 0.650 140 V HN 0.549 nan 8.190 nan 0.000 0.449 141 D N -0.151 120.184 120.400 -0.108 0.000 2.117 141 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 141 D C 1.878 178.231 176.300 0.088 0.000 0.987 141 D CA 1.120 55.111 54.000 -0.016 0.000 0.829 141 D CB -0.283 40.505 40.800 -0.021 0.000 0.961 141 D HN 0.312 nan 8.370 nan 0.000 0.460 142 L N 0.136 121.355 121.223 -0.007 0.000 1.973 142 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 142 L C 2.077 179.022 176.870 0.125 0.000 1.073 142 L CA 1.569 56.407 54.840 -0.003 0.000 0.746 142 L CB -0.491 41.424 42.059 -0.239 0.000 0.891 142 L HN 0.001 nan 8.230 nan 0.000 0.433 143 L N -1.016 120.199 121.223 -0.014 0.000 2.202 143 L HA 0.199 4.539 4.340 -0.000 0.000 0.205 143 L C 0.821 177.699 176.870 0.014 0.000 1.083 143 L CA 0.639 55.465 54.840 -0.023 0.000 0.790 143 L CB -0.246 41.770 42.059 -0.073 0.000 0.942 143 L HN 0.355 nan 8.230 nan 0.000 0.452 144 A N 0.178 123.018 122.820 0.033 0.000 3.422 144 A HA 0.398 4.718 4.320 -0.000 0.000 0.271 144 A C -2.607 175.034 177.584 0.095 0.000 1.104 144 A CA -0.846 51.234 52.037 0.072 0.000 0.899 144 A CB -0.198 18.862 19.000 0.100 0.000 1.309 144 A HN -0.140 nan 8.150 nan 0.000 0.580 145 P HA 0.037 nan 4.420 nan 0.000 0.266 145 P C -0.546 176.882 177.300 0.214 0.000 1.195 145 P CA 0.624 63.764 63.100 0.066 0.000 0.768 145 P CB 0.317 32.063 31.700 0.076 0.000 0.838 146 Y N 0.506 120.839 120.300 0.055 0.000 2.304 146 Y HA 0.391 4.941 4.550 -0.000 0.000 0.327 146 Y C 1.150 177.068 175.900 0.030 0.000 1.209 146 Y CA -1.253 56.870 58.100 0.040 0.000 1.299 146 Y CB 0.951 39.433 38.460 0.038 0.000 1.249 146 Y HN 0.387 nan 8.280 nan 0.000 0.519 147 A N 3.437 126.358 122.820 0.169 0.000 2.337 147 A HA 0.440 4.760 4.320 -0.000 0.000 0.329 147 A C -0.809 176.807 177.584 0.053 0.000 1.146 147 A CA -1.091 50.998 52.037 0.087 0.000 0.800 147 A CB 0.738 19.768 19.000 0.050 0.000 1.220 147 A HN 0.781 nan 8.150 nan 0.000 0.472 148 K N 0.705 121.132 120.400 0.046 0.000 2.448 148 K HA 0.381 4.701 4.320 -0.000 0.000 0.278 148 K C 1.166 177.766 176.600 0.000 0.000 1.009 148 K CA 1.250 57.553 56.287 0.026 0.000 0.995 148 K CB 0.383 32.903 32.500 0.035 0.000 0.917 148 K HN 1.490 nan 8.250 nan 0.000 0.481 149 G N 1.656 110.442 108.800 -0.023 0.000 2.168 149 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.263 149 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.263 149 G C 0.425 175.297 174.900 -0.048 0.000 0.977 149 G CA 0.063 45.142 45.100 -0.036 0.000 0.659 149 G HN 0.858 nan 8.290 nan 0.000 0.533 150 G N -0.753 108.016 108.800 -0.053 0.000 2.488 150 G HA2 0.599 4.559 3.960 -0.000 0.000 0.318 150 G HA3 0.599 4.559 3.960 -0.000 0.000 0.318 150 G C -0.179 174.660 174.900 -0.102 0.000 1.188 150 G CA -0.791 44.275 45.100 -0.057 0.000 0.944 150 G HN 0.339 nan 8.290 nan 0.000 0.495 151 K N 0.249 120.597 120.400 -0.085 0.000 2.248 151 K HA 0.368 4.688 4.320 -0.000 0.000 0.281 151 K C -0.783 175.731 176.600 -0.142 0.000 1.054 151 K CA -0.038 56.181 56.287 -0.112 0.000 0.903 151 K CB 1.532 33.997 32.500 -0.059 0.000 1.077 151 K HN 0.234 nan 8.250 nan 0.000 0.474 152 I N 1.681 122.110 120.570 -0.234 0.000 2.378 152 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 152 I C 0.341 176.326 176.117 -0.220 0.000 0.992 152 I CA -0.472 60.638 61.300 -0.317 0.000 1.154 152 I CB 2.054 39.658 38.000 -0.660 0.000 1.315 152 I HN 0.608 nan 8.210 nan 0.000 0.448 153 G N 6.900 115.626 108.800 -0.123 0.000 2.470 153 G HA2 0.686 4.646 3.960 -0.000 0.000 0.320 153 G HA3 0.686 4.646 3.960 -0.000 0.000 0.320 153 G C -0.872 173.993 174.900 -0.059 0.000 1.245 153 G CA -0.514 44.486 45.100 -0.167 0.000 0.935 153 G HN 0.459 nan 8.290 nan 0.000 0.476 154 L N 2.671 123.823 121.223 -0.118 0.000 2.297 154 L HA 0.392 4.732 4.340 -0.000 0.000 0.277 154 L C -0.720 176.124 176.870 -0.042 0.000 1.040 154 L CA -0.623 54.235 54.840 0.030 0.000 0.867 154 L CB 0.475 42.572 42.059 0.064 0.000 1.244 154 L HN 0.328 nan 8.230 nan 0.000 0.433 155 F N 1.385 121.327 119.950 -0.013 0.000 2.412 155 F HA 0.673 5.200 4.527 0.000 0.000 0.348 155 F C 1.071 176.857 175.800 -0.023 0.000 1.102 155 F CA -0.248 57.721 58.000 -0.051 0.000 1.196 155 F CB 1.651 40.600 39.000 -0.085 0.000 1.144 155 F HN 0.408 nan 8.300 nan 0.000 0.541 156 G N 0.993 109.849 108.800 0.093 0.000 2.691 156 G HA2 0.484 4.444 3.960 -0.000 0.000 0.298 156 G HA3 0.484 4.444 3.960 -0.000 0.000 0.298 156 G C -0.631 174.191 174.900 -0.131 0.000 1.471 156 G CA -0.451 44.665 45.100 0.026 0.000 0.912 156 G HN 0.918 nan 8.290 nan 0.000 0.553 157 G N -0.260 108.454 108.800 -0.143 0.000 2.683 157 G HA2 0.635 4.595 3.960 -0.000 0.000 0.260 157 G HA3 0.635 4.595 3.960 -0.000 0.000 0.260 157 G C 0.806 175.635 174.900 -0.119 0.000 1.238 157 G CA 0.406 45.353 45.100 -0.255 0.000 0.934 157 G HN 1.695 nan 8.290 nan 0.000 0.534 158 A N -1.030 121.771 122.820 -0.031 0.000 2.524 158 A HA 0.512 4.832 4.320 -0.000 0.000 0.250 158 A C 1.586 179.237 177.584 0.112 0.000 1.078 158 A CA 1.063 53.219 52.037 0.199 0.000 0.761 158 A CB -0.579 18.565 19.000 0.240 0.000 1.012 158 A HN 2.578 nan 8.150 nan 0.000 0.500 159 G N 1.320 110.188 108.800 0.112 0.000 2.179 159 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.257 159 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.257 159 G C 0.574 175.515 174.900 0.068 0.000 1.010 159 G CA 0.434 45.575 45.100 0.069 0.000 0.736 159 G HN 1.277 nan 8.290 nan 0.000 0.513 160 V N -0.756 119.208 119.914 0.083 0.000 3.354 160 V HA 0.502 4.622 4.120 -0.000 0.000 0.258 160 V C 2.057 178.246 176.094 0.158 0.000 1.159 160 V CA 1.649 64.017 62.300 0.114 0.000 1.125 160 V CB 0.235 32.102 31.823 0.074 0.000 0.774 160 V HN 1.873 nan 8.190 nan 0.000 0.464 161 G N 0.213 109.082 108.800 0.115 0.000 2.161 161 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.140 161 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.140 161 G C 0.600 175.582 174.900 0.136 0.000 1.040 161 G CA 0.146 45.314 45.100 0.113 0.000 0.735 161 G HN 0.397 nan 8.290 nan 0.000 0.496 162 K N -0.042 120.433 120.400 0.126 0.000 2.025 162 K HA -0.014 4.306 4.320 -0.000 0.000 0.207 162 K C 2.477 179.160 176.600 0.139 0.000 1.049 162 K CA 1.838 58.205 56.287 0.133 0.000 0.933 162 K CB -0.257 32.310 32.500 0.112 0.000 0.714 162 K HN 0.242 nan 8.250 nan 0.000 0.438 163 T N 1.195 115.826 114.554 0.128 0.000 2.777 163 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 163 T C 2.089 176.864 174.700 0.124 0.000 1.040 163 T CA 1.015 63.196 62.100 0.135 0.000 1.141 163 T CB -0.222 68.722 68.868 0.127 0.000 0.868 163 T HN -0.066 nan 8.240 nan 0.000 0.444 164 V N 1.739 121.721 119.914 0.113 0.000 2.332 164 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 164 V C 2.410 178.623 176.094 0.199 0.000 1.055 164 V CA 1.514 63.897 62.300 0.137 0.000 1.038 164 V CB -0.638 31.247 31.823 0.102 0.000 0.651 164 V HN 0.348 nan 8.190 nan 0.000 0.450 165 L N -0.324 121.042 121.223 0.239 0.000 2.046 165 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 165 L C 2.126 179.082 176.870 0.143 0.000 1.077 165 L CA 1.773 56.773 54.840 0.267 0.000 0.747 165 L CB -0.550 41.693 42.059 0.305 0.000 0.896 165 L HN 0.215 nan 8.230 nan 0.000 0.432 166 I N -0.984 119.675 120.570 0.147 0.000 2.163 166 I HA -0.346 3.824 4.170 -0.000 0.000 0.243 166 I C 2.337 178.473 176.117 0.030 0.000 1.085 166 I CA 1.426 62.807 61.300 0.136 0.000 1.347 166 I CB -0.203 37.905 38.000 0.180 0.000 1.044 166 I HN 0.318 nan 8.210 nan 0.000 0.408 167 M N -0.446 119.163 119.600 0.015 0.000 2.159 167 M HA -0.228 4.252 4.480 -0.000 0.000 0.263 167 M C 2.160 178.407 176.300 -0.088 0.000 1.063 167 M CA 1.594 56.863 55.300 -0.052 0.000 1.110 167 M CB -1.336 31.253 32.600 -0.018 0.000 1.374 167 M HN 0.174 nan 8.290 nan 0.000 0.411 168 E N 0.765 120.894 120.200 -0.120 0.000 2.150 168 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 168 E C 2.027 178.510 176.600 -0.195 0.000 0.985 168 E CA 0.929 57.162 56.400 -0.277 0.000 0.814 168 E CB -0.184 29.057 29.700 -0.765 0.000 0.752 168 E HN 0.498 nan 8.360 nan 0.000 0.466 169 L N -0.182 120.994 121.223 -0.078 0.000 2.072 169 L HA -0.065 4.275 4.340 -0.000 0.000 0.205 169 L C 2.355 179.259 176.870 0.056 0.000 1.079 169 L CA 0.722 55.590 54.840 0.047 0.000 0.752 169 L CB -0.307 41.880 42.059 0.213 0.000 0.906 169 L HN 0.192 nan 8.230 nan 0.000 0.436 170 I N 0.312 120.844 120.570 -0.063 0.000 2.163 170 I HA -0.345 3.825 4.170 -0.000 0.000 0.243 170 I C 2.343 178.426 176.117 -0.057 0.000 1.085 170 I CA 1.685 62.895 61.300 -0.150 0.000 1.347 170 I CB -0.347 37.426 38.000 -0.379 0.000 1.044 170 I HN 0.359 nan 8.210 nan 0.000 0.408 171 N N 1.014 119.670 118.700 -0.074 0.000 2.223 171 N HA -0.177 4.563 4.740 -0.000 0.000 0.185 171 N C 1.407 176.897 175.510 -0.033 0.000 1.016 171 N CA 1.527 54.544 53.050 -0.054 0.000 0.863 171 N CB -0.064 38.380 38.487 -0.072 0.000 0.983 171 N HN 0.237 nan 8.380 nan 0.000 0.429 172 N N -1.230 117.449 118.700 -0.035 0.000 2.405 172 N HA 0.079 4.819 4.740 -0.000 0.000 0.175 172 N C 0.980 176.508 175.510 0.030 0.000 1.051 172 N CA 0.352 53.392 53.050 -0.016 0.000 0.899 172 N CB 0.561 39.019 38.487 -0.047 0.000 1.000 172 N HN 0.106 nan 8.380 nan 0.000 0.451 173 V N -0.312 119.641 119.914 0.065 0.000 2.996 173 V HA 0.298 4.418 4.120 -0.000 0.000 0.235 173 V C 1.887 178.060 176.094 0.132 0.000 1.205 173 V CA 0.959 63.321 62.300 0.104 0.000 1.225 173 V CB -0.191 31.715 31.823 0.139 0.000 0.995 173 V HN 0.161 nan 8.190 nan 0.000 0.484 174 A N 0.443 123.348 122.820 0.141 0.000 1.823 174 A HA -0.164 4.156 4.320 -0.000 0.000 0.214 174 A C 2.066 179.744 177.584 0.156 0.000 1.225 174 A CA 1.927 54.062 52.037 0.163 0.000 0.604 174 A CB -0.632 18.464 19.000 0.161 0.000 0.878 174 A HN 0.431 nan 8.150 nan 0.000 0.450 175 K N -0.493 119.958 120.400 0.086 0.000 2.184 175 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 175 K C 1.026 177.668 176.600 0.069 0.000 1.048 175 K CA 1.480 57.803 56.287 0.060 0.000 0.931 175 K CB -0.390 32.123 32.500 0.023 0.000 0.718 175 K HN 0.468 nan 8.250 nan 0.000 0.465 176 A N 1.066 123.936 122.820 0.082 0.000 3.041 176 A HA 0.128 4.448 4.320 -0.000 0.000 0.307 176 A C -0.856 176.786 177.584 0.097 0.000 1.116 176 A CA -0.540 51.535 52.037 0.064 0.000 1.001 176 A CB -0.304 18.720 19.000 0.040 0.000 1.112 176 A HN 0.357 nan 8.150 nan 0.000 0.556 177 H N -1.336 117.742 119.070 0.013 0.000 2.469 177 H HA 0.577 5.133 4.556 -0.000 0.000 0.342 177 H C 1.248 176.559 175.328 -0.029 0.000 1.115 177 H CA 0.224 56.276 56.048 0.006 0.000 1.204 177 H CB 1.453 31.236 29.762 0.034 0.000 1.492 177 H HN 0.139 nan 8.280 nan 0.000 0.499 178 G N 3.230 111.673 108.800 -0.596 0.000 2.628 178 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 178 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 178 G C 0.954 175.438 174.900 -0.693 0.000 1.240 178 G CA 0.772 45.540 45.100 -0.553 0.000 0.792 178 G HN 0.831 nan 8.290 nan 0.000 0.593 179 G N -1.209 106.954 108.800 -1.062 0.000 2.928 179 G HA2 0.484 4.444 3.960 -0.000 0.000 0.163 179 G HA3 0.484 4.444 3.960 -0.000 0.000 0.163 179 G C -0.502 174.241 174.900 -0.262 0.000 1.573 179 G CA -0.734 44.005 45.100 -0.602 0.000 1.084 179 G HN 0.322 nan 8.290 nan 0.000 0.569 180 Y N -1.038 119.294 120.300 0.053 0.000 2.488 180 Y HA 0.584 5.134 4.550 -0.000 0.000 0.325 180 Y C 0.502 176.429 175.900 0.044 0.000 1.204 180 Y CA -0.741 57.315 58.100 -0.074 0.000 1.229 180 Y CB 2.231 40.368 38.460 -0.538 0.000 1.274 180 Y HN 0.276 nan 8.280 nan 0.000 0.493 181 S N 0.671 116.503 115.700 0.221 0.000 2.568 181 S HA 0.675 5.145 4.470 -0.000 0.000 0.293 181 S C -1.325 173.409 174.600 0.222 0.000 1.089 181 S CA -0.799 57.530 58.200 0.216 0.000 0.945 181 S CB 1.993 65.374 63.200 0.302 0.000 1.077 181 S HN 0.309 nan 8.310 nan 0.000 0.485 182 V N 2.688 122.746 119.914 0.239 0.000 2.531 182 V HA 0.512 4.632 4.120 -0.000 0.000 0.301 182 V C -1.300 174.953 176.094 0.265 0.000 1.034 182 V CA -0.615 61.818 62.300 0.222 0.000 0.865 182 V CB 1.297 33.218 31.823 0.163 0.000 0.995 182 V HN 0.857 nan 8.190 nan 0.000 0.424 183 F N 4.201 124.208 119.950 0.094 0.000 2.427 183 F HA 0.773 5.300 4.527 -0.000 0.000 0.348 183 F C 0.299 176.005 175.800 -0.156 0.000 1.125 183 F CA -0.506 57.517 58.000 0.038 0.000 0.989 183 F CB 1.203 40.213 39.000 0.016 0.000 1.165 183 F HN 0.550 nan 8.300 nan 0.000 0.442 184 A N 4.836 127.413 122.820 -0.405 0.000 2.273 184 A HA 0.612 4.932 4.320 -0.000 0.000 0.320 184 A C 0.101 177.371 177.584 -0.524 0.000 1.358 184 A CA -0.364 51.441 52.037 -0.387 0.000 0.910 184 A CB 0.095 18.931 19.000 -0.273 0.000 1.159 184 A HN 0.976 nan 8.150 nan 0.000 0.526 185 G N 1.259 109.708 108.800 -0.584 0.000 2.351 185 G HA2 0.496 4.456 3.960 -0.000 0.000 0.287 185 G HA3 0.496 4.456 3.960 -0.000 0.000 0.287 185 G C -0.597 174.250 174.900 -0.087 0.000 1.159 185 G CA -0.106 44.825 45.100 -0.282 0.000 0.929 185 G HN 0.749 nan 8.290 nan 0.000 0.435 186 V N 2.621 122.519 119.914 -0.026 0.000 2.409 186 V HA 0.607 4.727 4.120 -0.000 0.000 0.290 186 V C 1.027 177.148 176.094 0.045 0.000 1.017 186 V CA 0.218 62.519 62.300 0.002 0.000 0.841 186 V CB 0.916 32.722 31.823 -0.028 0.000 1.003 186 V HN 1.419 nan 8.190 nan 0.000 0.426 187 G N 3.285 112.120 108.800 0.058 0.000 2.203 187 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.263 187 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.263 187 G C 0.223 175.161 174.900 0.063 0.000 1.012 187 G CA 0.672 45.802 45.100 0.049 0.000 0.749 187 G HN 0.598 nan 8.290 nan 0.000 0.512 188 E N -0.585 119.676 120.200 0.102 0.000 3.232 188 E HA 0.462 4.812 4.350 -0.000 0.000 0.248 188 E C 0.809 177.475 176.600 0.110 0.000 1.048 188 E CA -0.859 55.606 56.400 0.109 0.000 1.204 188 E CB 0.510 30.294 29.700 0.140 0.000 1.535 188 E HN 0.413 nan 8.360 nan 0.000 0.567 189 R N 0.292 120.857 120.500 0.108 0.000 2.340 189 R HA 0.231 4.571 4.340 -0.000 0.000 0.300 189 R C 1.165 177.506 176.300 0.068 0.000 1.069 189 R CA -0.012 56.133 56.100 0.076 0.000 0.984 189 R CB 0.357 30.694 30.300 0.062 0.000 1.003 189 R HN 0.379 nan 8.270 nan 0.000 0.459 190 T N 2.821 117.393 114.554 0.031 0.000 2.720 190 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 190 T C 1.717 176.386 174.700 -0.052 0.000 1.037 190 T CA 1.894 63.976 62.100 -0.030 0.000 1.144 190 T CB -0.120 68.731 68.868 -0.028 0.000 0.864 190 T HN 0.604 nan 8.240 nan 0.000 0.444 191 R N 1.941 122.437 120.500 -0.008 0.000 2.152 191 R HA -0.014 4.326 4.340 -0.000 0.000 0.232 191 R C 1.868 178.172 176.300 0.007 0.000 1.117 191 R CA 1.601 57.703 56.100 0.002 0.000 0.981 191 R CB -0.613 29.698 30.300 0.020 0.000 0.870 191 R HN 0.406 nan 8.270 nan 0.000 0.451 192 E N 0.238 120.452 120.200 0.024 0.000 2.107 192 E HA -0.040 4.310 4.350 -0.000 0.000 0.191 192 E C 2.089 178.687 176.600 -0.004 0.000 0.982 192 E CA 1.008 57.432 56.400 0.040 0.000 0.809 192 E CB -0.206 29.551 29.700 0.096 0.000 0.756 192 E HN 0.654 nan 8.360 nan 0.000 0.459 193 G N 1.264 110.013 108.800 -0.084 0.000 2.418 193 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.217 193 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.217 193 G C 1.402 176.133 174.900 -0.281 0.000 1.158 193 G CA 1.045 45.899 45.100 -0.409 0.000 0.771 193 G HN 0.212 nan 8.290 nan 0.000 0.545 194 N N 0.546 119.156 118.700 -0.150 0.000 2.120 194 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 194 N C 1.688 177.252 175.510 0.090 0.000 1.024 194 N CA 1.537 54.587 53.050 0.001 0.000 0.852 194 N CB -0.078 38.448 38.487 0.065 0.000 1.003 194 N HN 0.132 nan 8.380 nan 0.000 0.424 195 D N 0.199 120.629 120.400 0.050 0.000 2.123 195 D HA -0.161 4.479 4.640 -0.000 0.000 0.196 195 D C 1.890 178.198 176.300 0.013 0.000 0.992 195 D CA 0.707 54.740 54.000 0.054 0.000 0.833 195 D CB -0.428 40.390 40.800 0.029 0.000 0.954 195 D HN 0.282 nan 8.370 nan 0.000 0.455 196 L N -0.014 121.183 121.223 -0.043 0.000 2.027 196 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 196 L C 2.247 179.086 176.870 -0.051 0.000 1.074 196 L CA 1.437 56.217 54.840 -0.101 0.000 0.745 196 L CB -0.935 40.987 42.059 -0.228 0.000 0.898 196 L HN -0.020 nan 8.230 nan 0.000 0.433 197 Y N 0.092 120.265 120.300 -0.212 0.000 2.128 197 Y HA -0.310 4.240 4.550 -0.000 0.000 0.284 197 Y C 2.633 178.347 175.900 -0.310 0.000 1.154 197 Y CA 2.309 60.243 58.100 -0.276 0.000 1.149 197 Y CB -0.676 37.556 38.460 -0.380 0.000 0.976 197 Y HN 0.466 nan 8.280 nan 0.000 0.505 198 H N -0.736 118.286 119.070 -0.080 0.000 2.357 198 H HA -0.123 4.433 4.556 -0.000 0.000 0.301 198 H C 2.301 177.548 175.328 -0.136 0.000 1.082 198 H CA 1.546 57.496 56.048 -0.163 0.000 1.342 198 H CB -0.103 29.608 29.762 -0.083 0.000 1.389 198 H HN 0.504 nan 8.280 nan 0.000 0.511 199 E N 0.801 121.001 120.200 0.000 0.000 2.110 199 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 199 E C 1.831 178.396 176.600 -0.059 0.000 0.988 199 E CA 1.079 57.463 56.400 -0.027 0.000 0.804 199 E CB -0.008 29.675 29.700 -0.029 0.000 0.745 199 E HN 0.501 nan 8.360 nan 0.000 0.458 200 M N 0.198 119.746 119.600 -0.086 0.000 2.254 200 M HA -0.035 4.445 4.480 -0.000 0.000 0.265 200 M C 2.210 178.451 176.300 -0.098 0.000 1.066 200 M CA 0.943 56.196 55.300 -0.078 0.000 1.123 200 M CB -0.013 32.554 32.600 -0.055 0.000 1.388 200 M HN 0.166 nan 8.290 nan 0.000 0.425 201 I N -0.141 120.327 120.570 -0.170 0.000 2.353 201 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 201 I C 2.540 178.605 176.117 -0.087 0.000 1.119 201 I CA 1.156 62.356 61.300 -0.167 0.000 1.417 201 I CB -0.406 37.430 38.000 -0.273 0.000 1.078 201 I HN 0.354 nan 8.210 nan 0.000 0.421 202 E N 0.926 121.088 120.200 -0.063 0.000 2.150 202 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 202 E C 2.147 178.727 176.600 -0.034 0.000 0.985 202 E CA 1.570 57.947 56.400 -0.039 0.000 0.814 202 E CB 0.131 29.815 29.700 -0.027 0.000 0.752 202 E HN 0.502 nan 8.360 nan 0.000 0.466 203 S N -1.470 114.209 115.700 -0.036 0.000 2.528 203 S HA 0.171 4.641 4.470 -0.000 0.000 0.219 203 S C 1.546 176.133 174.600 -0.021 0.000 0.985 203 S CA 0.713 58.897 58.200 -0.026 0.000 0.914 203 S CB 0.572 63.757 63.200 -0.026 0.000 0.776 203 S HN 0.430 nan 8.310 nan 0.000 0.526 204 G N 0.359 109.143 108.800 -0.027 0.000 2.175 204 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.244 204 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.244 204 G C 0.739 175.635 174.900 -0.007 0.000 0.982 204 G CA 0.222 45.312 45.100 -0.018 0.000 0.641 204 G HN 0.563 nan 8.290 nan 0.000 0.527 205 V N 0.466 120.377 119.914 -0.006 0.000 2.594 205 V HA 0.124 4.244 4.120 -0.000 0.000 0.253 205 V C 1.502 177.608 176.094 0.020 0.000 1.069 205 V CA 1.896 64.204 62.300 0.013 0.000 1.082 205 V CB -0.121 31.707 31.823 0.009 0.000 0.680 205 V HN 0.500 nan 8.190 nan 0.000 0.469 206 I N 0.600 121.167 120.570 -0.004 0.000 2.433 206 I HA 0.357 4.527 4.170 -0.000 0.000 0.292 206 I C -0.414 175.691 176.117 -0.020 0.000 1.001 206 I CA -0.246 61.054 61.300 0.000 0.000 1.119 206 I CB 1.609 39.606 38.000 -0.006 0.000 1.289 206 I HN 0.102 nan 8.210 nan 0.000 0.438 207 N N 6.909 125.608 118.700 -0.002 0.000 2.448 207 N HA 0.350 5.090 4.740 -0.000 0.000 0.279 207 N C 0.048 175.559 175.510 0.001 0.000 1.025 207 N CA -0.450 52.596 53.050 -0.007 0.000 0.898 207 N CB 1.964 40.453 38.487 0.003 0.000 1.303 207 N HN 0.566 nan 8.380 nan 0.000 0.495 208 L N 2.169 123.387 121.223 -0.010 0.000 2.599 208 L HA 0.127 4.467 4.340 -0.000 0.000 0.230 208 L C 1.357 178.232 176.870 0.009 0.000 1.141 208 L CA 0.393 55.236 54.840 0.005 0.000 0.877 208 L CB -0.040 42.018 42.059 -0.002 0.000 1.009 208 L HN 0.258 nan 8.230 nan 0.000 0.447 209 K N -0.914 119.489 120.400 0.005 0.000 2.403 209 K HA 0.228 4.548 4.320 -0.000 0.000 0.199 209 K C 0.245 176.850 176.600 0.009 0.000 1.199 209 K CA 0.360 56.650 56.287 0.006 0.000 0.924 209 K CB 0.404 32.905 32.500 0.003 0.000 1.137 209 K HN 0.090 nan 8.250 nan 0.000 0.510 210 D N -0.232 120.174 120.400 0.010 0.000 2.549 210 D HA 0.349 4.989 4.640 -0.000 0.000 0.270 210 D C 0.141 176.451 176.300 0.017 0.000 1.181 210 D CA -0.340 53.668 54.000 0.013 0.000 1.070 210 D CB 0.951 41.760 40.800 0.013 0.000 1.154 210 D HN -0.021 nan 8.370 nan 0.000 0.602 211 A N -0.504 122.328 122.820 0.020 0.000 2.415 211 A HA 0.109 4.429 4.320 -0.000 0.000 0.248 211 A C 1.221 178.826 177.584 0.036 0.000 1.299 211 A CA 0.156 52.207 52.037 0.024 0.000 0.899 211 A CB -0.738 18.277 19.000 0.026 0.000 0.997 211 A HN 0.487 nan 8.150 nan 0.000 0.506 212 T N -2.535 112.040 114.554 0.034 0.000 3.129 212 T HA 0.125 4.475 4.350 -0.000 0.000 0.251 212 T C 0.748 175.480 174.700 0.055 0.000 1.117 212 T CA 0.376 62.504 62.100 0.046 0.000 1.034 212 T CB -0.456 68.430 68.868 0.032 0.000 0.968 212 T HN 0.161 nan 8.240 nan 0.000 0.526 213 S N 2.001 117.727 115.700 0.043 0.000 2.563 213 S HA 0.170 4.640 4.470 -0.000 0.000 0.284 213 S C 1.021 175.666 174.600 0.075 0.000 1.331 213 S CA -0.442 57.785 58.200 0.045 0.000 1.047 213 S CB 0.626 63.845 63.200 0.031 0.000 0.859 213 S HN 0.314 nan 8.310 nan 0.000 0.514 214 K N 0.844 121.302 120.400 0.097 0.000 2.373 214 K HA 0.266 4.586 4.320 -0.000 0.000 0.200 214 K C -0.406 176.282 176.600 0.145 0.000 1.054 214 K CA 0.247 56.644 56.287 0.183 0.000 1.065 214 K CB 0.616 33.214 32.500 0.164 0.000 0.886 214 K HN 0.383 nan 8.250 nan 0.000 0.546 215 V N 1.016 120.983 119.914 0.089 0.000 2.735 215 V HA 0.590 4.710 4.120 -0.000 0.000 0.310 215 V C -0.640 175.509 176.094 0.092 0.000 1.061 215 V CA -1.481 60.882 62.300 0.105 0.000 0.913 215 V CB 1.822 33.720 31.823 0.125 0.000 1.005 215 V HN 0.097 nan 8.190 nan 0.000 0.428 216 A N 5.172 128.066 122.820 0.124 0.000 2.276 216 A HA 0.830 5.150 4.320 -0.000 0.000 0.316 216 A C -0.699 176.976 177.584 0.152 0.000 1.229 216 A CA -0.440 51.679 52.037 0.136 0.000 0.851 216 A CB 0.390 19.505 19.000 0.191 0.000 1.165 216 A HN 0.806 nan 8.150 nan 0.000 0.513 217 L N 2.990 124.298 121.223 0.142 0.000 2.289 217 L HA 0.582 4.922 4.340 -0.000 0.000 0.285 217 L C -0.812 176.131 176.870 0.122 0.000 1.049 217 L CA -0.767 54.179 54.840 0.176 0.000 0.804 217 L CB 1.653 43.864 42.059 0.253 0.000 1.195 217 L HN 0.414 nan 8.230 nan 0.000 0.428 218 V N 3.404 123.328 119.914 0.016 0.000 2.525 218 V HA 0.446 4.566 4.120 -0.000 0.000 0.299 218 V C -1.160 174.847 176.094 -0.145 0.000 1.034 218 V CA -0.660 61.630 62.300 -0.017 0.000 0.863 218 V CB 1.635 33.432 31.823 -0.043 0.000 0.999 218 V HN 0.447 nan 8.190 nan 0.000 0.423 219 Y N 1.562 121.878 120.300 0.027 0.000 2.477 219 Y HA 0.786 5.336 4.550 -0.000 0.000 0.347 219 Y C 0.542 176.452 175.900 0.017 0.000 0.981 219 Y CA -0.682 57.439 58.100 0.035 0.000 1.033 219 Y CB 2.882 41.356 38.460 0.023 0.000 1.245 219 Y HN 0.710 nan 8.280 nan 0.000 0.455 220 G N 3.434 112.340 108.800 0.177 0.000 2.919 220 G HA2 0.294 4.254 3.960 -0.000 0.000 0.303 220 G HA3 0.294 4.254 3.960 -0.000 0.000 0.303 220 G C -1.145 173.819 174.900 0.107 0.000 1.611 220 G CA -0.597 44.567 45.100 0.108 0.000 0.876 220 G HN 0.297 nan 8.290 nan 0.000 0.481 221 Q N 1.148 121.024 119.800 0.127 0.000 2.189 221 Q HA 0.283 4.623 4.340 -0.000 0.000 0.193 221 Q C 2.080 178.118 176.000 0.063 0.000 1.034 221 Q CA -0.742 55.130 55.803 0.115 0.000 1.062 221 Q CB 0.710 29.527 28.738 0.132 0.000 1.118 221 Q HN 0.738 nan 8.270 nan 0.000 0.569 222 M N -0.995 118.636 119.600 0.053 0.000 2.700 222 M HA -0.054 4.426 4.480 -0.000 0.000 0.249 222 M C 0.675 176.988 176.300 0.021 0.000 1.082 222 M CA 1.651 56.969 55.300 0.030 0.000 1.077 222 M CB -0.726 31.887 32.600 0.022 0.000 1.477 222 M HN 0.542 nan 8.290 nan 0.000 0.529 223 N N -0.492 118.223 118.700 0.024 0.000 2.412 223 N HA 0.057 4.797 4.740 -0.000 0.000 0.184 223 N C -0.218 175.301 175.510 0.014 0.000 1.101 223 N CA -0.262 52.798 53.050 0.016 0.000 0.881 223 N CB 0.161 38.656 38.487 0.014 0.000 0.969 223 N HN 0.300 nan 8.380 nan 0.000 0.459 224 E N 1.937 122.147 120.200 0.018 0.000 2.319 224 E HA 0.275 4.625 4.350 -0.000 0.000 0.268 224 E C -2.212 174.391 176.600 0.006 0.000 1.050 224 E CA -2.156 54.253 56.400 0.015 0.000 0.878 224 E CB 0.877 30.591 29.700 0.023 0.000 1.066 224 E HN 0.189 nan 8.360 nan 0.000 0.406 225 P HA 0.081 nan 4.420 nan 0.000 0.272 225 P C -1.998 175.296 177.300 -0.010 0.000 1.230 225 P CA -1.141 61.956 63.100 -0.004 0.000 0.788 225 P CB 0.166 31.865 31.700 -0.002 0.000 0.949 226 P HA -0.156 nan 4.420 nan 0.000 0.216 226 P C 1.614 178.892 177.300 -0.037 0.000 1.150 226 P CA 1.827 64.905 63.100 -0.036 0.000 0.837 226 P CB -0.603 31.069 31.700 -0.047 0.000 0.786 227 G N 0.450 109.237 108.800 -0.022 0.000 2.422 227 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 227 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 227 G C 1.807 176.706 174.900 -0.002 0.000 1.146 227 G CA 1.011 46.102 45.100 -0.014 0.000 0.769 227 G HN 0.358 nan 8.290 nan 0.000 0.547 228 A N 0.878 123.701 122.820 0.004 0.000 1.873 228 A HA 0.029 4.349 4.320 -0.000 0.000 0.215 228 A C 2.412 180.005 177.584 0.014 0.000 1.186 228 A CA 1.509 53.554 52.037 0.013 0.000 0.616 228 A CB -0.381 18.629 19.000 0.017 0.000 0.823 228 A HN 0.331 nan 8.150 nan 0.000 0.442 229 R N -0.532 119.970 120.500 0.004 0.000 2.193 229 R HA -0.036 4.304 4.340 -0.000 0.000 0.229 229 R C 2.153 178.458 176.300 0.009 0.000 1.110 229 R CA 0.978 57.082 56.100 0.006 0.000 0.988 229 R CB -0.326 29.966 30.300 -0.013 0.000 0.871 229 R HN 0.518 nan 8.270 nan 0.000 0.458 230 A N 0.403 123.209 122.820 -0.025 0.000 2.072 230 A HA -0.000 4.320 4.320 -0.000 0.000 0.216 230 A C 1.723 179.360 177.584 0.088 0.000 1.156 230 A CA 0.692 52.692 52.037 -0.062 0.000 0.701 230 A CB 0.150 19.046 19.000 -0.174 0.000 0.816 230 A HN 0.048 nan 8.150 nan 0.000 0.458 231 R N -1.324 119.217 120.500 0.070 0.000 2.307 231 R HA 0.133 4.473 4.340 -0.000 0.000 0.200 231 R C 1.721 178.041 176.300 0.033 0.000 0.893 231 R CA 0.745 56.887 56.100 0.070 0.000 1.042 231 R CB -0.914 29.409 30.300 0.039 0.000 1.059 231 R HN 0.351 nan 8.270 nan 0.000 0.530 232 V N 1.574 121.507 119.914 0.032 0.000 2.594 232 V HA -0.177 3.943 4.120 -0.000 0.000 0.253 232 V C 2.108 178.181 176.094 -0.034 0.000 1.069 232 V CA 1.998 64.298 62.300 -0.001 0.000 1.082 232 V CB -0.333 31.494 31.823 0.006 0.000 0.680 232 V HN 0.294 nan 8.190 nan 0.000 0.469 233 A N -0.446 122.359 122.820 -0.024 0.000 1.969 233 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 233 A C 2.097 179.602 177.584 -0.131 0.000 1.169 233 A CA 1.694 53.667 52.037 -0.107 0.000 0.635 233 A CB -0.434 18.465 19.000 -0.170 0.000 0.810 233 A HN 0.571 nan 8.150 nan 0.000 0.445 234 L N -0.657 120.503 121.223 -0.105 0.000 2.141 234 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 234 L C 2.681 179.475 176.870 -0.126 0.000 1.094 234 L CA 1.677 56.432 54.840 -0.143 0.000 0.763 234 L CB -1.117 40.826 42.059 -0.193 0.000 0.908 234 L HN 0.344 nan 8.230 nan 0.000 0.437 235 T N -0.138 114.358 114.554 -0.096 0.000 2.708 235 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 235 T C 1.905 176.561 174.700 -0.074 0.000 1.037 235 T CA 1.359 63.413 62.100 -0.075 0.000 1.146 235 T CB -0.568 68.272 68.868 -0.047 0.000 0.865 235 T HN 0.539 nan 8.240 nan 0.000 0.435 236 G N 2.471 111.221 108.800 -0.083 0.000 2.433 236 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.216 236 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.216 236 G C 1.589 176.443 174.900 -0.077 0.000 1.186 236 G CA 1.258 46.309 45.100 -0.081 0.000 0.779 236 G HN 0.568 nan 8.290 nan 0.000 0.543 237 L N -0.363 120.798 121.223 -0.104 0.000 2.131 237 L HA 0.089 4.429 4.340 -0.000 0.000 0.210 237 L C 2.427 179.253 176.870 -0.073 0.000 1.092 237 L CA 2.610 57.392 54.840 -0.098 0.000 0.759 237 L CB -1.449 40.531 42.059 -0.132 0.000 0.903 237 L HN 0.051 nan 8.230 nan 0.000 0.435 238 T N -0.169 114.338 114.554 -0.079 0.000 2.746 238 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 238 T C 2.021 176.679 174.700 -0.069 0.000 1.039 238 T CA 1.710 63.770 62.100 -0.067 0.000 1.142 238 T CB -0.431 68.394 68.868 -0.071 0.000 0.866 238 T HN 0.243 nan 8.240 nan 0.000 0.444 239 V N 1.598 121.463 119.914 -0.081 0.000 2.343 239 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 239 V C 2.853 178.892 176.094 -0.091 0.000 1.051 239 V CA 1.689 63.910 62.300 -0.132 0.000 1.036 239 V CB -1.116 30.663 31.823 -0.073 0.000 0.654 239 V HN 0.527 nan 8.190 nan 0.000 0.451 240 A N -0.538 122.298 122.820 0.026 0.000 1.930 240 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 240 A C 2.148 179.776 177.584 0.073 0.000 1.175 240 A CA 1.784 53.890 52.037 0.115 0.000 0.627 240 A CB -0.453 18.581 19.000 0.056 0.000 0.815 240 A HN 0.617 nan 8.150 nan 0.000 0.443 241 E N -1.517 118.688 120.200 0.008 0.000 2.058 241 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 241 E C 1.845 178.440 176.600 -0.009 0.000 0.997 241 E CA 1.630 58.028 56.400 -0.003 0.000 0.801 241 E CB -0.369 29.320 29.700 -0.017 0.000 0.746 241 E HN 0.789 nan 8.360 nan 0.000 0.450 242 Y N 0.411 120.616 120.300 -0.158 0.000 2.081 242 Y HA -0.290 4.260 4.550 -0.000 0.000 0.280 242 Y C 1.879 177.694 175.900 -0.141 0.000 1.163 242 Y CA 1.868 59.838 58.100 -0.217 0.000 1.135 242 Y CB -0.375 37.848 38.460 -0.394 0.000 0.970 242 Y HN -0.006 nan 8.280 nan 0.000 0.498 243 F N -0.189 119.871 119.950 0.184 0.000 2.234 243 F HA -0.140 4.387 4.527 -0.000 0.000 0.299 243 F C 2.713 178.531 175.800 0.029 0.000 1.087 243 F CA 1.195 59.282 58.000 0.145 0.000 1.340 243 F CB -0.379 38.771 39.000 0.250 0.000 1.031 243 F HN -0.028 nan 8.300 nan 0.000 0.500 244 R N 0.734 121.326 120.500 0.153 0.000 2.070 244 R HA -0.156 4.184 4.340 -0.000 0.000 0.232 244 R C 1.500 177.800 176.300 -0.001 0.000 1.138 244 R CA 2.262 58.405 56.100 0.071 0.000 0.936 244 R CB -0.310 30.008 30.300 0.030 0.000 0.839 244 R HN 0.153 nan 8.270 nan 0.000 0.429 245 D N 0.187 120.546 120.400 -0.068 0.000 2.278 245 D HA -0.063 4.577 4.640 -0.000 0.000 0.228 245 D C 1.641 177.824 176.300 -0.195 0.000 1.020 245 D CA 0.644 54.577 54.000 -0.112 0.000 0.922 245 D CB -0.506 40.221 40.800 -0.121 0.000 1.051 245 D HN 0.132 nan 8.370 nan 0.000 0.452 246 Q N 0.724 120.278 119.800 -0.410 0.000 2.624 246 Q HA -0.074 4.266 4.340 -0.000 0.000 0.219 246 Q C 0.364 176.092 176.000 -0.453 0.000 0.973 246 Q CA 0.821 56.248 55.803 -0.626 0.000 0.983 246 Q CB -0.062 27.842 28.738 -1.390 0.000 0.992 246 Q HN 0.577 nan 8.270 nan 0.000 0.574 247 E N -2.476 117.601 120.200 -0.206 0.000 2.626 247 E HA 0.107 4.457 4.350 -0.000 0.000 0.198 247 E C 0.736 177.331 176.600 -0.008 0.000 0.943 247 E CA 0.327 56.709 56.400 -0.030 0.000 1.515 247 E CB 0.739 30.518 29.700 0.131 0.000 1.677 247 E HN 0.287 nan 8.360 nan 0.000 0.897 248 G N 2.196 110.977 108.800 -0.031 0.000 2.180 248 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.263 248 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.263 248 G C 0.233 175.137 174.900 0.007 0.000 0.989 248 G CA 0.806 45.896 45.100 -0.017 0.000 0.692 248 G HN 0.072 nan 8.290 nan 0.000 0.526 249 Q N 0.678 120.502 119.800 0.040 0.000 2.235 249 Q HA 0.402 4.742 4.340 -0.000 0.000 0.256 249 Q C -0.442 175.594 176.000 0.060 0.000 0.951 249 Q CA -0.812 55.009 55.803 0.030 0.000 0.890 249 Q CB 1.037 29.771 28.738 -0.006 0.000 1.279 249 Q HN 0.315 nan 8.270 nan 0.000 0.444 250 D N 1.579 122.001 120.400 0.038 0.000 2.356 250 D HA 0.093 4.733 4.640 -0.000 0.000 0.272 250 D C -0.241 176.172 176.300 0.187 0.000 1.337 250 D CA 0.286 54.340 54.000 0.091 0.000 0.970 250 D CB 0.146 40.997 40.800 0.085 0.000 1.092 250 D HN 0.070 nan 8.370 nan 0.000 0.516 251 V N 2.881 122.878 119.914 0.138 0.000 2.612 251 V HA 0.363 4.483 4.120 -0.000 0.000 0.301 251 V C 0.604 176.666 176.094 -0.053 0.000 1.046 251 V CA -0.964 61.411 62.300 0.126 0.000 0.946 251 V CB 1.644 33.570 31.823 0.171 0.000 1.003 251 V HN 0.291 nan 8.190 nan 0.000 0.459 252 L N 4.424 125.546 121.223 -0.168 0.000 2.295 252 L HA 0.577 4.917 4.340 -0.000 0.000 0.285 252 L C -0.722 175.969 176.870 -0.298 0.000 1.035 252 L CA -0.478 54.150 54.840 -0.354 0.000 0.806 252 L CB 1.509 43.314 42.059 -0.423 0.000 1.214 252 L HN 0.458 nan 8.230 nan 0.000 0.426 253 L N 4.026 124.963 121.223 -0.477 0.000 2.343 253 L HA 0.575 4.915 4.340 -0.000 0.000 0.278 253 L C -1.270 175.262 176.870 -0.564 0.000 0.996 253 L CA 0.115 54.749 54.840 -0.343 0.000 0.831 253 L CB 0.998 42.928 42.059 -0.215 0.000 1.232 253 L HN 0.197 nan 8.230 nan 0.000 0.413 254 F N 5.802 125.640 119.950 -0.186 0.000 2.436 254 F HA 0.629 5.156 4.527 -0.000 0.000 0.340 254 F C 0.000 175.458 175.800 -0.571 0.000 1.113 254 F CA -0.506 57.303 58.000 -0.318 0.000 1.022 254 F CB 1.426 40.287 39.000 -0.232 0.000 1.128 254 F HN 0.222 nan 8.300 nan 0.000 0.466 255 I N 2.687 123.063 120.570 -0.324 0.000 2.466 255 I HA 0.317 4.487 4.170 -0.000 0.000 0.289 255 I C -1.296 174.633 176.117 -0.313 0.000 1.026 255 I CA -0.504 60.566 61.300 -0.384 0.000 1.078 255 I CB 1.946 39.784 38.000 -0.270 0.000 1.249 255 I HN 0.435 nan 8.210 nan 0.000 0.429 256 D N 6.195 126.395 120.400 -0.334 0.000 2.476 256 D HA 0.256 4.896 4.640 -0.000 0.000 0.251 256 D C -1.448 174.837 176.300 -0.024 0.000 1.291 256 D CA -0.284 53.657 54.000 -0.099 0.000 0.939 256 D CB 1.174 41.993 40.800 0.032 0.000 1.221 256 D HN 0.430 nan 8.370 nan 0.000 0.567 257 N N 4.383 123.091 118.700 0.013 0.000 2.352 257 N HA 0.155 4.895 4.740 -0.000 0.000 0.291 257 N C 0.503 176.038 175.510 0.042 0.000 1.040 257 N CA -0.488 52.584 53.050 0.036 0.000 0.864 257 N CB 1.643 40.203 38.487 0.122 0.000 1.440 257 N HN 0.311 nan 8.380 nan 0.000 0.483 258 I N 4.034 124.599 120.570 -0.008 0.000 2.567 258 I HA -0.090 4.080 4.170 -0.000 0.000 0.257 258 I C 1.686 177.858 176.117 0.092 0.000 1.184 258 I CA 0.776 62.062 61.300 -0.023 0.000 1.451 258 I CB -0.472 37.446 38.000 -0.137 0.000 1.089 258 I HN 0.626 nan 8.210 nan 0.000 0.441 259 F N 1.405 121.372 119.950 0.028 0.000 2.202 259 F HA -0.230 4.297 4.527 -0.000 0.000 0.301 259 F C 2.280 178.155 175.800 0.125 0.000 1.082 259 F CA 1.464 59.524 58.000 0.099 0.000 1.313 259 F CB -0.370 38.731 39.000 0.168 0.000 1.024 259 F HN -0.027 nan 8.300 nan 0.000 0.495 260 R N 0.140 120.629 120.500 -0.018 0.000 2.152 260 R HA -0.206 4.134 4.340 -0.000 0.000 0.232 260 R C 2.190 178.417 176.300 -0.122 0.000 1.117 260 R CA 1.461 57.478 56.100 -0.138 0.000 0.981 260 R CB -1.814 28.491 30.300 0.007 0.000 0.870 260 R HN 0.526 nan 8.270 nan 0.000 0.451 261 F N 1.744 121.584 119.950 -0.183 0.000 2.069 261 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 261 F C 1.966 177.664 175.800 -0.169 0.000 1.113 261 F CA 1.871 59.782 58.000 -0.148 0.000 1.214 261 F CB -0.433 38.494 39.000 -0.120 0.000 0.978 261 F HN -0.111 nan 8.300 nan 0.000 0.474 262 T N 0.119 114.583 114.554 -0.150 0.000 2.821 262 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 262 T C 1.857 176.377 174.700 -0.299 0.000 1.046 262 T CA 1.514 63.458 62.100 -0.260 0.000 1.139 262 T CB -0.363 68.456 68.868 -0.083 0.000 0.871 262 T HN 0.479 nan 8.240 nan 0.000 0.454 263 Q N 0.640 120.136 119.800 -0.507 0.000 2.079 263 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 263 Q C 2.496 178.368 176.000 -0.213 0.000 0.974 263 Q CA 1.363 56.933 55.803 -0.389 0.000 0.840 263 Q CB -0.284 28.103 28.738 -0.585 0.000 0.898 263 Q HN 0.521 nan 8.270 nan 0.000 0.430 264 A N 0.511 123.197 122.820 -0.224 0.000 1.902 264 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 264 A C 2.273 179.751 177.584 -0.178 0.000 1.181 264 A CA 1.619 53.556 52.037 -0.166 0.000 0.623 264 A CB -1.376 17.536 19.000 -0.148 0.000 0.818 264 A HN 0.611 nan 8.150 nan 0.000 0.443 265 G N 0.039 108.678 108.800 -0.268 0.000 2.442 265 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 265 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 265 G C 1.948 176.778 174.900 -0.116 0.000 1.141 265 G CA 1.857 46.814 45.100 -0.239 0.000 0.763 265 G HN 0.895 nan 8.290 nan 0.000 0.554 266 S N 0.620 116.280 115.700 -0.067 0.000 2.428 266 S HA -0.022 4.448 4.470 -0.000 0.000 0.230 266 S C 1.931 176.501 174.600 -0.050 0.000 1.014 266 S CA 1.433 59.622 58.200 -0.019 0.000 0.957 266 S CB -0.240 62.955 63.200 -0.009 0.000 0.784 266 S HN 0.604 nan 8.310 nan 0.000 0.499 267 E N 1.356 121.517 120.200 -0.065 0.000 2.106 267 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 267 E C 2.216 178.790 176.600 -0.044 0.000 0.984 267 E CA 1.451 57.819 56.400 -0.053 0.000 0.806 267 E CB -0.411 29.258 29.700 -0.051 0.000 0.750 267 E HN 0.690 nan 8.360 nan 0.000 0.458 268 V N -1.922 117.962 119.914 -0.050 0.000 3.174 268 V HA 0.019 4.139 4.120 -0.000 0.000 0.254 268 V C 2.202 178.278 176.094 -0.031 0.000 1.120 268 V CA 1.093 63.370 62.300 -0.039 0.000 1.114 268 V CB 0.368 32.165 31.823 -0.044 0.000 0.756 268 V HN 0.107 nan 8.190 nan 0.000 0.467 269 S N 1.174 116.855 115.700 -0.032 0.000 2.383 269 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 269 S C 2.129 176.723 174.600 -0.011 0.000 1.030 269 S CA 1.981 60.170 58.200 -0.019 0.000 1.002 269 S CB -0.458 62.737 63.200 -0.008 0.000 0.829 269 S HN 0.955 nan 8.310 nan 0.000 0.467 270 A N 1.606 124.418 122.820 -0.014 0.000 1.855 270 A HA 0.078 4.398 4.320 -0.000 0.000 0.215 270 A C 2.123 179.702 177.584 -0.009 0.000 1.191 270 A CA 1.401 53.432 52.037 -0.011 0.000 0.613 270 A CB -0.877 18.114 19.000 -0.016 0.000 0.829 270 A HN 0.571 nan 8.150 nan 0.000 0.442 271 L N -0.479 120.737 121.223 -0.012 0.000 2.353 271 L HA -0.121 4.219 4.340 -0.000 0.000 0.220 271 L C 1.821 178.688 176.870 -0.005 0.000 1.133 271 L CA 0.602 55.438 54.840 -0.008 0.000 0.798 271 L CB -0.565 41.488 42.059 -0.010 0.000 0.922 271 L HN 0.357 nan 8.230 nan 0.000 0.445 272 L N -0.288 120.932 121.223 -0.006 0.000 2.599 272 L HA 0.146 4.486 4.340 -0.000 0.000 0.230 272 L C 1.431 178.302 176.870 0.002 0.000 1.141 272 L CA 0.486 55.325 54.840 -0.002 0.000 0.877 272 L CB -0.354 41.702 42.059 -0.005 0.000 1.009 272 L HN 0.443 nan 8.230 nan 0.000 0.447 273 G N 0.439 109.239 108.800 0.002 0.000 2.132 273 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.234 273 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.234 273 G C 0.118 175.021 174.900 0.005 0.000 0.989 273 G CA -0.266 44.836 45.100 0.004 0.000 0.676 273 G HN 0.277 nan 8.290 nan 0.000 0.522 274 R N -0.515 119.988 120.500 0.005 0.000 2.500 274 R HA 0.701 5.041 4.340 -0.000 0.000 0.277 274 R C 1.011 177.317 176.300 0.011 0.000 1.026 274 R CA -0.707 55.398 56.100 0.008 0.000 1.058 274 R CB 0.683 30.988 30.300 0.010 0.000 1.078 274 R HN 0.287 nan 8.270 nan 0.000 0.509 275 I N 4.943 125.521 120.570 0.013 0.000 2.533 275 I HA 0.121 4.291 4.170 -0.000 0.000 0.284 275 I C -1.559 174.571 176.117 0.022 0.000 1.109 275 I CA -1.584 59.725 61.300 0.016 0.000 1.412 275 I CB 0.632 38.641 38.000 0.016 0.000 1.396 275 I HN 0.352 nan 8.210 nan 0.000 0.543 276 P HA 0.041 nan 4.420 nan 0.000 0.269 276 P C -0.372 176.956 177.300 0.047 0.000 1.215 276 P CA -0.147 62.974 63.100 0.034 0.000 0.780 276 P CB 1.174 32.888 31.700 0.022 0.000 0.898 277 S N 0.715 116.459 115.700 0.073 0.000 2.623 277 S HA 0.638 5.108 4.470 -0.000 0.000 0.287 277 S C -0.120 174.543 174.600 0.105 0.000 1.123 277 S CA -0.440 57.811 58.200 0.085 0.000 1.016 277 S CB 0.259 63.517 63.200 0.097 0.000 1.233 277 S HN 0.605 nan 8.310 nan 0.000 0.512 278 A N 0.361 123.254 122.820 0.121 0.000 2.531 278 A HA 0.429 4.749 4.320 -0.000 0.000 0.236 278 A C 0.908 178.604 177.584 0.186 0.000 1.062 278 A CA 0.392 52.507 52.037 0.129 0.000 0.760 278 A CB -0.799 18.276 19.000 0.124 0.000 0.995 278 A HN 1.660 nan 8.150 nan 0.000 0.501 279 V N 1.145 121.129 119.914 0.117 0.000 3.774 279 V HA -0.299 3.821 4.120 -0.000 0.000 0.216 279 V C 1.775 177.829 176.094 -0.066 0.000 0.441 279 V CA 1.499 63.840 62.300 0.068 0.000 0.985 279 V CB -2.537 29.388 31.823 0.170 0.000 1.085 279 V HN 2.933 nan 8.190 nan 0.000 1.240 280 G N -2.326 106.464 108.800 -0.017 0.000 2.184 280 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.264 280 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.264 280 G C -0.036 174.823 174.900 -0.068 0.000 0.975 280 G CA 0.533 45.593 45.100 -0.067 0.000 0.642 280 G HN 0.916 nan 8.290 nan 0.000 0.536 281 Y N 1.877 122.196 120.300 0.032 0.000 2.357 281 Y HA 0.343 4.893 4.550 -0.000 0.000 0.340 281 Y C 1.514 177.419 175.900 0.008 0.000 1.260 281 Y CA -0.049 58.064 58.100 0.022 0.000 1.425 281 Y CB 0.472 38.956 38.460 0.040 0.000 1.326 281 Y HN 0.403 nan 8.280 nan 0.000 0.580 282 Q N 3.820 123.740 119.800 0.201 0.000 2.304 282 Q HA -0.043 4.297 4.340 -0.000 0.000 0.301 282 Q C -2.284 173.768 176.000 0.088 0.000 1.063 282 Q CA -1.155 54.706 55.803 0.096 0.000 0.947 282 Q CB 0.570 29.336 28.738 0.047 0.000 1.201 282 Q HN 0.420 nan 8.270 nan 0.000 0.389 283 P HA -0.095 nan 4.420 nan 0.000 0.225 283 P C 0.816 178.137 177.300 0.035 0.000 1.148 283 P CA 1.374 64.503 63.100 0.047 0.000 0.779 283 P CB -0.014 31.707 31.700 0.034 0.000 0.780 284 T N -4.119 110.451 114.554 0.028 0.000 3.105 284 T HA 0.162 4.512 4.350 -0.000 0.000 0.253 284 T C 1.566 176.280 174.700 0.022 0.000 1.047 284 T CA -0.341 61.772 62.100 0.022 0.000 0.944 284 T CB -0.904 67.970 68.868 0.011 0.000 1.016 284 T HN -0.060 nan 8.240 nan 0.000 0.544 285 L N 1.218 122.450 121.223 0.015 0.000 2.010 285 L HA -0.199 4.141 4.340 -0.000 0.000 0.219 285 L C 2.779 179.668 176.870 0.031 0.000 1.077 285 L CA 2.254 57.089 54.840 -0.007 0.000 0.773 285 L CB -0.628 41.385 42.059 -0.078 0.000 0.892 285 L HN 0.415 nan 8.230 nan 0.000 0.436 286 A N -1.339 121.507 122.820 0.043 0.000 1.930 286 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 286 A C 2.290 179.932 177.584 0.098 0.000 1.176 286 A CA 1.698 53.784 52.037 0.081 0.000 0.632 286 A CB -0.944 18.098 19.000 0.070 0.000 0.819 286 A HN 0.632 nan 8.150 nan 0.000 0.445 287 T N -2.397 112.201 114.554 0.074 0.000 2.942 287 T HA -0.090 4.260 4.350 -0.000 0.000 0.265 287 T C 1.289 176.040 174.700 0.085 0.000 1.062 287 T CA 1.245 63.389 62.100 0.073 0.000 1.139 287 T CB -0.363 68.535 68.868 0.050 0.000 0.883 287 T HN 0.305 nan 8.240 nan 0.000 0.468 288 D N 1.160 121.616 120.400 0.094 0.000 2.097 288 D HA -0.071 4.569 4.640 -0.000 0.000 0.195 288 D C 1.981 178.429 176.300 0.246 0.000 0.989 288 D CA 1.122 55.217 54.000 0.157 0.000 0.827 288 D CB -0.419 40.447 40.800 0.110 0.000 0.966 288 D HN 0.385 nan 8.370 nan 0.000 0.456 289 M N 0.541 120.265 119.600 0.207 0.000 2.108 289 M HA -0.107 4.373 4.480 -0.000 0.000 0.261 289 M C 2.067 178.294 176.300 -0.123 0.000 1.066 289 M CA 2.113 57.470 55.300 0.095 0.000 1.107 289 M CB -0.246 32.400 32.600 0.076 0.000 1.356 289 M HN 0.029 nan 8.290 nan 0.000 0.406 290 G N -0.599 108.200 108.800 -0.001 0.000 2.418 290 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 290 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 290 G C 1.440 176.334 174.900 -0.010 0.000 1.158 290 G CA 1.517 46.636 45.100 0.033 0.000 0.771 290 G HN 0.611 nan 8.290 nan 0.000 0.545 291 T N -1.593 112.973 114.554 0.020 0.000 2.833 291 T HA -0.073 4.277 4.350 -0.000 0.000 0.269 291 T C 2.210 176.892 174.700 -0.031 0.000 1.054 291 T CA 1.582 63.694 62.100 0.020 0.000 1.135 291 T CB -0.151 68.751 68.868 0.058 0.000 0.869 291 T HN 0.153 nan 8.240 nan 0.000 0.466 292 M N 0.289 119.829 119.600 -0.100 0.000 2.216 292 M HA 0.027 4.507 4.480 -0.000 0.000 0.264 292 M C 2.263 178.403 176.300 -0.267 0.000 1.080 292 M CA 1.386 56.550 55.300 -0.226 0.000 1.153 292 M CB -0.639 31.673 32.600 -0.480 0.000 1.356 292 M HN 0.169 nan 8.290 nan 0.000 0.432 293 Q N 0.680 120.273 119.800 -0.344 0.000 2.170 293 Q HA -0.126 4.214 4.340 -0.000 0.000 0.203 293 Q C 1.679 177.582 176.000 -0.163 0.000 0.976 293 Q CA 1.202 56.792 55.803 -0.355 0.000 0.858 293 Q CB -0.379 27.921 28.738 -0.729 0.000 0.907 293 Q HN 0.594 nan 8.270 nan 0.000 0.433 294 E N 0.254 120.403 120.200 -0.085 0.000 2.418 294 E HA -0.100 4.250 4.350 -0.000 0.000 0.197 294 E C 1.642 178.226 176.600 -0.027 0.000 1.026 294 E CA 0.359 56.756 56.400 -0.005 0.000 0.862 294 E CB 0.045 29.770 29.700 0.041 0.000 0.799 294 E HN 0.334 nan 8.360 nan 0.000 0.518 295 R N 0.135 120.598 120.500 -0.061 0.000 2.210 295 R HA 0.188 4.528 4.340 -0.000 0.000 0.203 295 R C 1.030 177.285 176.300 -0.075 0.000 1.010 295 R CA 0.124 56.188 56.100 -0.059 0.000 1.008 295 R CB 0.279 30.538 30.300 -0.068 0.000 0.923 295 R HN 0.049 nan 8.270 nan 0.000 0.469 296 I N 1.941 122.449 120.570 -0.102 0.000 2.270 296 I HA 0.033 4.203 4.170 -0.000 0.000 0.300 296 I C -0.073 175.994 176.117 -0.083 0.000 1.186 296 I CA 0.338 61.571 61.300 -0.112 0.000 1.431 296 I CB 0.380 38.286 38.000 -0.156 0.000 1.485 296 I HN -0.063 nan 8.210 nan 0.000 0.650 297 T N 2.670 117.185 114.554 -0.064 0.000 2.885 297 T HA 0.247 4.597 4.350 -0.000 0.000 0.322 297 T C -0.332 174.342 174.700 -0.044 0.000 1.387 297 T CA -0.340 61.731 62.100 -0.048 0.000 1.041 297 T CB 1.648 70.498 68.868 -0.030 0.000 1.287 297 T HN 0.237 nan 8.240 nan 0.000 0.491 298 T N 3.468 117.997 114.554 -0.042 0.000 2.907 298 T HA 0.578 4.928 4.350 -0.000 0.000 0.298 298 T C 0.416 175.094 174.700 -0.037 0.000 1.017 298 T CA -0.085 61.993 62.100 -0.037 0.000 1.118 298 T CB 0.613 69.459 68.868 -0.036 0.000 0.948 298 T HN 0.867 nan 8.240 nan 0.000 0.531 299 T N 0.138 114.671 114.554 -0.036 0.000 2.831 299 T HA 0.487 4.837 4.350 -0.000 0.000 0.287 299 T C 1.002 175.677 174.700 -0.042 0.000 1.070 299 T CA -1.050 61.025 62.100 -0.042 0.000 1.010 299 T CB 1.502 70.348 68.868 -0.037 0.000 1.264 299 T HN 0.363 nan 8.240 nan 0.000 0.532 300 K N -0.013 120.358 120.400 -0.047 0.000 2.209 300 K HA 0.024 4.344 4.320 -0.000 0.000 0.204 300 K C 2.132 178.712 176.600 -0.034 0.000 1.048 300 K CA 0.934 57.195 56.287 -0.043 0.000 0.940 300 K CB -0.041 32.430 32.500 -0.047 0.000 0.729 300 K HN 0.450 nan 8.250 nan 0.000 0.451 301 K N -0.328 120.052 120.400 -0.033 0.000 2.155 301 K HA -0.005 4.315 4.320 -0.000 0.000 0.203 301 K C 0.805 177.389 176.600 -0.025 0.000 1.052 301 K CA 0.857 57.126 56.287 -0.031 0.000 0.948 301 K CB 0.416 32.895 32.500 -0.035 0.000 0.728 301 K HN 0.212 nan 8.250 nan 0.000 0.448 302 G N -0.313 108.474 108.800 -0.022 0.000 2.489 302 G HA2 0.165 4.125 3.960 -0.000 0.000 0.291 302 G HA3 0.165 4.125 3.960 -0.000 0.000 0.291 302 G C -1.748 173.147 174.900 -0.009 0.000 1.487 302 G CA -0.632 44.462 45.100 -0.010 0.000 0.795 302 G HN -0.062 nan 8.290 nan 0.000 0.513 303 S N -0.766 114.935 115.700 0.002 0.000 2.509 303 S HA 0.796 5.266 4.470 -0.000 0.000 0.297 303 S C -0.431 174.169 174.600 -0.001 0.000 1.118 303 S CA -0.688 57.509 58.200 -0.004 0.000 1.074 303 S CB 0.719 63.918 63.200 -0.000 0.000 1.038 303 S HN 0.522 nan 8.310 nan 0.000 0.498 304 I N 3.673 124.226 120.570 -0.029 0.000 2.410 304 I HA 0.264 4.434 4.170 -0.000 0.000 0.286 304 I C -0.385 175.672 176.117 -0.099 0.000 1.009 304 I CA -0.434 60.832 61.300 -0.057 0.000 1.111 304 I CB 2.248 40.210 38.000 -0.064 0.000 1.262 304 I HN 0.503 nan 8.210 nan 0.000 0.443 305 T N 4.512 118.980 114.554 -0.143 0.000 2.832 305 T HA 0.296 4.646 4.350 -0.000 0.000 0.313 305 T C 0.080 174.595 174.700 -0.307 0.000 1.035 305 T CA -0.586 61.399 62.100 -0.191 0.000 0.950 305 T CB 0.396 69.155 68.868 -0.181 0.000 0.984 305 T HN 0.633 nan 8.240 nan 0.000 0.486 306 S N 2.220 117.750 115.700 -0.283 0.000 2.509 306 S HA 0.739 5.209 4.470 -0.000 0.000 0.297 306 S C -0.351 174.037 174.600 -0.354 0.000 1.118 306 S CA -0.852 57.144 58.200 -0.340 0.000 1.074 306 S CB 1.512 64.566 63.200 -0.244 0.000 1.038 306 S HN 0.367 nan 8.310 nan 0.000 0.498 307 V N 2.980 122.655 119.914 -0.399 0.000 2.443 307 V HA 0.436 4.556 4.120 -0.000 0.000 0.293 307 V C -0.665 175.323 176.094 -0.176 0.000 1.021 307 V CA -0.495 61.647 62.300 -0.264 0.000 0.848 307 V CB 1.287 33.029 31.823 -0.135 0.000 0.998 307 V HN 0.955 nan 8.190 nan 0.000 0.424 308 Q N 3.187 122.882 119.800 -0.175 0.000 2.327 308 Q HA 0.704 5.044 4.340 -0.000 0.000 0.270 308 Q C -0.197 175.709 176.000 -0.157 0.000 1.022 308 Q CA -0.547 55.151 55.803 -0.174 0.000 0.773 308 Q CB 2.538 31.147 28.738 -0.216 0.000 1.251 308 Q HN 0.883 nan 8.270 nan 0.000 0.457 309 A N 3.572 126.335 122.820 -0.095 0.000 2.440 309 A HA 0.443 4.763 4.320 -0.000 0.000 0.251 309 A C -0.283 177.239 177.584 -0.104 0.000 1.089 309 A CA 0.022 52.022 52.037 -0.062 0.000 0.779 309 A CB 0.035 19.049 19.000 0.023 0.000 1.022 309 A HN 0.761 nan 8.150 nan 0.000 0.492 310 I N 2.945 123.412 120.570 -0.172 0.000 2.521 310 I HA 0.148 4.318 4.170 -0.000 0.000 0.277 310 I C -0.574 175.491 176.117 -0.087 0.000 1.054 310 I CA -0.398 60.767 61.300 -0.226 0.000 1.117 310 I CB 0.948 38.498 38.000 -0.750 0.000 1.217 310 I HN 0.749 nan 8.210 nan 0.000 0.469 311 Y N 6.674 126.927 120.300 -0.079 0.000 2.578 311 Y HA 0.261 4.811 4.550 -0.000 0.000 0.339 311 Y C -0.221 175.476 175.900 -0.339 0.000 1.231 311 Y CA 0.322 58.302 58.100 -0.200 0.000 1.461 311 Y CB 0.764 39.070 38.460 -0.257 0.000 1.323 311 Y HN 0.243 nan 8.280 nan 0.000 0.590 312 V N 8.114 127.444 119.914 -0.973 0.000 2.380 312 V HA 0.283 4.403 4.120 -0.000 0.000 0.286 312 V C -2.335 173.251 176.094 -0.846 0.000 1.015 312 V CA -2.033 59.887 62.300 -0.634 0.000 0.834 312 V CB 1.180 32.846 31.823 -0.262 0.000 1.009 312 V HN 0.684 nan 8.190 nan 0.000 0.428 313 P HA 0.175 nan 4.420 nan 0.000 0.267 313 P C 0.613 177.860 177.300 -0.088 0.000 1.205 313 P CA 0.605 63.601 63.100 -0.174 0.000 0.765 313 P CB 0.851 32.587 31.700 0.061 0.000 0.828 314 A N 3.693 126.494 122.820 -0.033 0.000 2.774 314 A HA -0.260 4.060 4.320 -0.000 0.000 0.290 314 A C 0.839 178.396 177.584 -0.045 0.000 1.484 314 A CA 1.263 53.294 52.037 -0.009 0.000 0.863 314 A CB -2.600 16.414 19.000 0.024 0.000 0.989 314 A HN 0.597 nan 8.150 nan 0.000 0.554 315 D N -1.783 118.550 120.400 -0.111 0.000 2.983 315 D HA -0.184 4.456 4.640 -0.000 0.000 0.225 315 D C -0.218 176.049 176.300 -0.055 0.000 1.174 315 D CA 2.114 56.055 54.000 -0.098 0.000 0.831 315 D CB -1.073 39.693 40.800 -0.056 0.000 1.104 315 D HN 0.967 nan 8.370 nan 0.000 0.421 316 D N 0.212 120.588 120.400 -0.040 0.000 2.456 316 D HA 0.225 4.865 4.640 -0.000 0.000 0.219 316 D C 1.380 177.698 176.300 0.029 0.000 1.126 316 D CA -0.418 53.585 54.000 0.004 0.000 0.890 316 D CB 0.198 41.014 40.800 0.028 0.000 1.025 316 D HN 0.115 nan 8.370 nan 0.000 0.511 317 L N 2.550 123.796 121.223 0.038 0.000 2.456 317 L HA -0.065 4.275 4.340 -0.000 0.000 0.224 317 L C 2.178 179.121 176.870 0.122 0.000 1.148 317 L CA 1.263 56.157 54.840 0.090 0.000 0.825 317 L CB -0.361 41.747 42.059 0.081 0.000 0.937 317 L HN 0.497 nan 8.230 nan 0.000 0.450 318 T N -4.891 109.711 114.554 0.081 0.000 3.107 318 T HA -0.045 4.305 4.350 -0.000 0.000 0.249 318 T C 0.767 175.532 174.700 0.109 0.000 1.096 318 T CA -0.443 61.708 62.100 0.084 0.000 1.012 318 T CB -0.262 68.635 68.868 0.050 0.000 0.977 318 T HN 0.204 nan 8.240 nan 0.000 0.527 319 D N 2.618 123.093 120.400 0.125 0.000 2.488 319 D HA 0.026 4.666 4.640 -0.000 0.000 0.238 319 D C -1.495 174.897 176.300 0.154 0.000 1.138 319 D CA -1.373 52.733 54.000 0.177 0.000 0.873 319 D CB 1.510 42.431 40.800 0.202 0.000 1.183 319 D HN 0.020 nan 8.370 nan 0.000 0.458 320 P HA -0.195 nan 4.420 nan 0.000 0.217 320 P C 0.783 178.026 177.300 -0.096 0.000 1.148 320 P CA 1.889 64.970 63.100 -0.032 0.000 0.834 320 P CB 0.161 31.775 31.700 -0.144 0.000 0.783 321 A N 0.119 122.875 122.820 -0.107 0.000 1.832 321 A HA -0.091 4.229 4.320 -0.000 0.000 0.214 321 A C -0.033 177.648 177.584 0.161 0.000 1.200 321 A CA 1.974 54.033 52.037 0.037 0.000 0.610 321 A CB -2.184 16.989 19.000 0.290 0.000 0.842 321 A HN 0.202 nan 8.150 nan 0.000 0.444 322 P HA -0.126 nan 4.420 nan 0.000 0.217 322 P C 1.553 179.024 177.300 0.286 0.000 1.150 322 P CA 2.029 65.281 63.100 0.254 0.000 0.832 322 P CB -0.220 31.644 31.700 0.273 0.000 0.787 323 A N -0.325 122.664 122.820 0.282 0.000 1.972 323 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 323 A C 2.181 179.956 177.584 0.318 0.000 1.169 323 A CA 2.148 54.400 52.037 0.359 0.000 0.635 323 A CB -1.748 17.377 19.000 0.207 0.000 0.810 323 A HN 0.216 nan 8.150 nan 0.000 0.446 324 T N -0.761 113.917 114.554 0.207 0.000 3.067 324 T HA -0.012 4.338 4.350 -0.000 0.000 0.257 324 T C 1.765 176.611 174.700 0.244 0.000 1.105 324 T CA 1.401 63.609 62.100 0.181 0.000 1.104 324 T CB -0.126 68.811 68.868 0.116 0.000 0.925 324 T HN 0.527 nan 8.240 nan 0.000 0.498 325 T N 1.676 116.370 114.554 0.234 0.000 2.904 325 T HA 0.072 4.422 4.350 -0.000 0.000 0.267 325 T C 1.493 176.346 174.700 0.255 0.000 1.059 325 T CA 0.607 62.837 62.100 0.217 0.000 1.137 325 T CB -0.482 68.404 68.868 0.030 0.000 0.879 325 T HN 0.344 nan 8.240 nan 0.000 0.467 326 F N 2.008 122.144 119.950 0.310 0.000 2.115 326 F HA -0.194 4.333 4.527 0.000 0.000 0.300 326 F C 2.672 178.527 175.800 0.092 0.000 1.092 326 F CA 1.055 59.186 58.000 0.218 0.000 1.245 326 F CB -0.425 38.613 39.000 0.064 0.000 0.995 326 F HN 0.157 nan 8.300 nan 0.000 0.481 327 A N -1.529 121.396 122.820 0.175 0.000 2.121 327 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 327 A C 1.522 179.004 177.584 -0.169 0.000 1.154 327 A CA 1.201 53.212 52.037 -0.042 0.000 0.679 327 A CB -0.832 18.062 19.000 -0.177 0.000 0.795 327 A HN 0.447 nan 8.150 nan 0.000 0.458 328 H N -1.023 118.097 119.070 0.083 0.000 2.526 328 H HA 0.359 4.915 4.556 -0.000 0.000 0.274 328 H C -0.197 175.142 175.328 0.019 0.000 0.999 328 H CA 0.263 56.329 56.048 0.030 0.000 1.157 328 H CB -0.050 29.706 29.762 -0.009 0.000 1.407 328 H HN 0.340 nan 8.280 nan 0.000 0.568 329 L N -0.157 121.140 121.223 0.123 0.000 2.319 329 L HA 0.246 4.586 4.340 -0.000 0.000 0.267 329 L C 0.671 177.586 176.870 0.076 0.000 1.011 329 L CA -0.609 54.288 54.840 0.094 0.000 0.818 329 L CB 2.055 44.198 42.059 0.140 0.000 1.316 329 L HN -0.126 nan 8.230 nan 0.000 0.432 330 D N 0.468 120.895 120.400 0.046 0.000 2.422 330 D HA 0.239 4.879 4.640 -0.000 0.000 0.218 330 D C 0.107 176.448 176.300 0.069 0.000 1.047 330 D CA 0.482 54.509 54.000 0.045 0.000 0.885 330 D CB 1.288 42.099 40.800 0.018 0.000 1.035 330 D HN 0.488 nan 8.370 nan 0.000 0.502 331 A N 0.730 123.590 122.820 0.066 0.000 2.422 331 A HA 0.588 4.908 4.320 -0.000 0.000 0.302 331 A C -0.417 177.259 177.584 0.152 0.000 1.041 331 A CA -0.566 51.546 52.037 0.126 0.000 0.708 331 A CB 1.516 20.625 19.000 0.181 0.000 1.257 331 A HN -0.027 nan 8.150 nan 0.000 0.414 332 T N -0.714 113.978 114.554 0.230 0.000 2.824 332 T HA 0.704 5.054 4.350 -0.000 0.000 0.282 332 T C -0.498 174.383 174.700 0.303 0.000 0.993 332 T CA -0.494 61.791 62.100 0.309 0.000 0.967 332 T CB 1.378 70.476 68.868 0.384 0.000 0.960 332 T HN 0.473 nan 8.240 nan 0.000 0.441 333 T N 3.164 117.917 114.554 0.332 0.000 2.842 333 T HA 0.470 4.820 4.350 -0.000 0.000 0.308 333 T C -0.155 174.717 174.700 0.286 0.000 1.041 333 T CA -0.551 61.724 62.100 0.290 0.000 0.964 333 T CB 0.731 69.790 68.868 0.317 0.000 0.972 333 T HN 0.642 nan 8.240 nan 0.000 0.460 334 V N 5.724 125.764 119.914 0.211 0.000 2.383 334 V HA 0.381 4.501 4.120 -0.000 0.000 0.275 334 V C 0.201 176.375 176.094 0.133 0.000 1.036 334 V CA -0.775 61.633 62.300 0.180 0.000 0.889 334 V CB 0.805 32.680 31.823 0.087 0.000 0.985 334 V HN 0.737 nan 8.190 nan 0.000 0.459 335 L N 4.103 125.410 121.223 0.139 0.000 2.357 335 L HA 0.633 4.973 4.340 -0.000 0.000 0.273 335 L C 0.368 177.272 176.870 0.057 0.000 1.080 335 L CA 0.058 54.956 54.840 0.097 0.000 0.803 335 L CB 1.650 43.778 42.059 0.114 0.000 1.174 335 L HN 0.686 nan 8.230 nan 0.000 0.443 336 S N 1.764 117.480 115.700 0.026 0.000 2.532 336 S HA 0.338 4.808 4.470 -0.000 0.000 0.299 336 S C 0.626 175.216 174.600 -0.016 0.000 1.105 336 S CA -0.798 57.403 58.200 0.002 0.000 1.018 336 S CB 1.939 65.135 63.200 -0.007 0.000 1.021 336 S HN 0.733 nan 8.310 nan 0.000 0.483 337 R N 3.021 123.512 120.500 -0.015 0.000 2.096 337 R HA -0.064 4.275 4.340 -0.000 0.000 0.235 337 R C 2.131 178.409 176.300 -0.036 0.000 1.127 337 R CA 1.814 57.904 56.100 -0.017 0.000 0.968 337 R CB -0.700 29.594 30.300 -0.010 0.000 0.861 337 R HN 0.808 nan 8.270 nan 0.000 0.440 338 A N 1.105 123.904 122.820 -0.034 0.000 1.877 338 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 338 A C 2.133 179.681 177.584 -0.059 0.000 1.186 338 A CA 1.468 53.481 52.037 -0.039 0.000 0.620 338 A CB -0.511 18.469 19.000 -0.033 0.000 0.822 338 A HN 0.345 nan 8.150 nan 0.000 0.443 339 I N -0.255 120.275 120.570 -0.066 0.000 2.226 339 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 339 I C 2.976 178.978 176.117 -0.191 0.000 1.100 339 I CA 1.061 62.304 61.300 -0.094 0.000 1.374 339 I CB -0.410 37.549 38.000 -0.068 0.000 1.057 339 I HN 0.366 nan 8.210 nan 0.000 0.413 340 A N 0.573 123.257 122.820 -0.227 0.000 1.908 340 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 340 A C 2.149 179.568 177.584 -0.275 0.000 1.181 340 A CA 1.679 53.459 52.037 -0.428 0.000 0.627 340 A CB -0.602 18.282 19.000 -0.193 0.000 0.818 340 A HN 0.477 nan 8.150 nan 0.000 0.445 341 E N -0.358 119.770 120.200 -0.121 0.000 2.409 341 E HA -0.021 4.329 4.350 -0.000 0.000 0.198 341 E C 1.187 177.749 176.600 -0.063 0.000 1.024 341 E CA 0.379 56.744 56.400 -0.059 0.000 0.861 341 E CB -0.177 29.507 29.700 -0.027 0.000 0.788 341 E HN 0.615 nan 8.360 nan 0.000 0.521 342 L N -0.273 120.894 121.223 -0.092 0.000 2.591 342 L HA 0.139 4.479 4.340 -0.000 0.000 0.228 342 L C 1.290 178.112 176.870 -0.079 0.000 1.133 342 L CA 0.262 55.059 54.840 -0.072 0.000 0.880 342 L CB 0.003 42.028 42.059 -0.058 0.000 1.033 342 L HN 0.254 nan 8.230 nan 0.000 0.450 343 G N 0.557 109.295 108.800 -0.103 0.000 2.148 343 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.254 343 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.254 343 G C 0.256 175.184 174.900 0.046 0.000 0.981 343 G CA -0.359 44.738 45.100 -0.006 0.000 0.670 343 G HN 0.183 nan 8.290 nan 0.000 0.528 344 I N 0.957 121.451 120.570 -0.126 0.000 2.322 344 I HA 0.426 4.596 4.170 -0.000 0.000 0.292 344 I C 0.085 176.028 176.117 -0.289 0.000 1.060 344 I CA -0.470 60.807 61.300 -0.039 0.000 1.309 344 I CB -0.230 37.759 38.000 -0.018 0.000 1.415 344 I HN 0.108 nan 8.210 nan 0.000 0.492 345 Y N 7.166 127.459 120.300 -0.011 0.000 2.462 345 Y HA 0.395 4.945 4.550 -0.000 0.000 0.346 345 Y C -2.023 173.711 175.900 -0.278 0.000 0.976 345 Y CA -2.342 55.672 58.100 -0.144 0.000 1.044 345 Y CB 2.348 40.705 38.460 -0.173 0.000 1.230 345 Y HN 0.418 nan 8.280 nan 0.000 0.455 346 P HA 0.055 nan 4.420 nan 0.000 0.271 346 P C -0.586 176.736 177.300 0.037 0.000 1.218 346 P CA -0.142 62.929 63.100 -0.049 0.000 0.780 346 P CB 1.058 32.745 31.700 -0.022 0.000 0.901 347 A N 3.382 126.250 122.820 0.079 0.000 3.117 347 A HA 0.254 4.574 4.320 -0.000 0.000 0.255 347 A C 0.370 177.969 177.584 0.025 0.000 1.583 347 A CA -0.373 51.648 52.037 -0.027 0.000 1.234 347 A CB -1.063 17.881 19.000 -0.093 0.000 1.076 347 A HN 0.359 nan 8.150 nan 0.000 0.653 348 V N 1.385 121.325 119.914 0.045 0.000 2.488 348 V HA 0.060 4.180 4.120 -0.000 0.000 0.277 348 V C 0.303 176.419 176.094 0.037 0.000 1.046 348 V CA -0.510 61.828 62.300 0.063 0.000 0.986 348 V CB 1.158 33.027 31.823 0.076 0.000 0.989 348 V HN 0.621 nan 8.190 nan 0.000 0.475 349 D N 8.456 128.879 120.400 0.038 0.000 2.359 349 D HA 0.141 4.781 4.640 -0.000 0.000 0.250 349 D C -1.177 175.135 176.300 0.019 0.000 1.264 349 D CA -2.018 51.995 54.000 0.021 0.000 0.911 349 D CB 1.612 42.419 40.800 0.012 0.000 1.056 349 D HN 0.287 nan 8.370 nan 0.000 0.499 350 P HA -0.056 nan 4.420 nan 0.000 0.230 350 P C 0.939 178.232 177.300 -0.011 0.000 1.158 350 P CA 0.540 63.638 63.100 -0.004 0.000 0.769 350 P CB 0.334 32.026 31.700 -0.012 0.000 0.807 351 L N -0.973 120.244 121.223 -0.009 0.000 2.910 351 L HA 0.307 4.647 4.340 -0.000 0.000 0.252 351 L C 0.920 177.773 176.870 -0.029 0.000 1.195 351 L CA 0.272 55.099 54.840 -0.021 0.000 1.003 351 L CB 0.062 42.108 42.059 -0.021 0.000 1.328 351 L HN -0.170 nan 8.230 nan 0.000 0.540 352 D N -1.149 119.241 120.400 -0.017 0.000 2.530 352 D HA 0.092 4.732 4.640 -0.000 0.000 0.253 352 D C -0.044 176.260 176.300 0.007 0.000 1.338 352 D CA 0.197 54.178 54.000 -0.031 0.000 0.806 352 D CB 0.836 41.612 40.800 -0.040 0.000 1.160 352 D HN -0.116 nan 8.370 nan 0.000 0.514 353 S N 0.104 115.824 115.700 0.034 0.000 2.442 353 S HA 0.657 5.127 4.470 -0.000 0.000 0.297 353 S C 0.017 174.660 174.600 0.071 0.000 1.131 353 S CA -0.543 57.707 58.200 0.083 0.000 1.092 353 S CB 1.601 64.859 63.200 0.097 0.000 0.998 353 S HN 0.301 nan 8.310 nan 0.000 0.478 354 T N -0.664 113.950 114.554 0.100 0.000 2.901 354 T HA 0.814 5.164 4.350 -0.000 0.000 0.293 354 T C -0.681 174.086 174.700 0.112 0.000 1.084 354 T CA -0.883 61.264 62.100 0.079 0.000 1.008 354 T CB 1.877 70.778 68.868 0.055 0.000 1.170 354 T HN 0.419 nan 8.240 nan 0.000 0.509 355 S N -0.846 114.908 115.700 0.090 0.000 2.566 355 S HA 0.380 4.850 4.470 -0.000 0.000 0.273 355 S C 0.571 175.214 174.600 0.071 0.000 1.157 355 S CA -0.850 57.409 58.200 0.099 0.000 0.938 355 S CB 1.492 64.760 63.200 0.113 0.000 1.087 355 S HN 0.770 nan 8.310 nan 0.000 0.474 356 R N 2.903 123.441 120.500 0.065 0.000 2.285 356 R HA 0.124 4.464 4.340 -0.000 0.000 0.213 356 R C 1.128 177.449 176.300 0.034 0.000 1.068 356 R CA 0.765 56.892 56.100 0.045 0.000 1.004 356 R CB -0.088 30.235 30.300 0.038 0.000 0.873 356 R HN 0.578 nan 8.270 nan 0.000 0.467 357 I N 0.370 120.963 120.570 0.038 0.000 3.793 357 I HA 0.011 4.181 4.170 -0.000 0.000 0.315 357 I C 0.585 176.705 176.117 0.004 0.000 1.275 357 I CA 0.133 61.445 61.300 0.020 0.000 1.214 357 I CB -0.029 37.991 38.000 0.033 0.000 1.018 357 I HN 0.115 nan 8.210 nan 0.000 0.439 358 M N 2.185 121.804 119.600 0.031 0.000 3.011 358 M HA 0.182 4.662 4.480 -0.000 0.000 0.292 358 M C -0.749 175.644 176.300 0.154 0.000 1.440 358 M CA 0.216 55.557 55.300 0.069 0.000 1.552 358 M CB -0.796 31.849 32.600 0.075 0.000 1.187 358 M HN -0.046 nan 8.290 nan 0.000 0.520 359 D N 4.686 125.109 120.400 0.038 0.000 2.990 359 D HA 0.386 5.026 4.640 -0.000 0.000 0.227 359 D C -2.489 173.658 176.300 -0.255 0.000 1.249 359 D CA -1.479 52.422 54.000 -0.164 0.000 0.891 359 D CB 2.479 43.216 40.800 -0.105 0.000 1.647 359 D HN 0.186 nan 8.370 nan 0.000 0.530 360 P HA -0.077 nan 4.420 nan 0.000 0.220 360 P C 0.431 177.638 177.300 -0.156 0.000 1.148 360 P CA 0.923 63.830 63.100 -0.322 0.000 0.803 360 P CB 0.344 31.769 31.700 -0.458 0.000 0.782 361 N N -0.887 117.722 118.700 -0.151 0.000 2.515 361 N HA 0.068 4.808 4.740 -0.000 0.000 0.185 361 N C 1.675 177.152 175.510 -0.055 0.000 1.109 361 N CA 0.400 53.401 53.050 -0.083 0.000 0.903 361 N CB -0.171 38.271 38.487 -0.075 0.000 0.969 361 N HN 0.229 nan 8.380 nan 0.000 0.450 362 I N -0.930 119.603 120.570 -0.061 0.000 3.194 362 I HA -0.017 4.153 4.170 -0.000 0.000 0.271 362 I C 1.508 177.611 176.117 -0.023 0.000 1.150 362 I CA 0.392 61.671 61.300 -0.035 0.000 1.440 362 I CB 0.193 38.172 38.000 -0.035 0.000 1.276 362 I HN 0.006 nan 8.210 nan 0.000 0.457 363 V N -0.936 118.950 119.914 -0.047 0.000 3.647 363 V HA 0.555 4.675 4.120 -0.000 0.000 0.279 363 V C 0.755 176.882 176.094 0.054 0.000 1.314 363 V CA 0.090 62.368 62.300 -0.036 0.000 1.125 363 V CB -1.002 30.650 31.823 -0.285 0.000 0.907 363 V HN 0.486 nan 8.190 nan 0.000 0.434 364 G N 1.099 109.920 108.800 0.036 0.000 2.705 364 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.686 364 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.686 364 G C 0.493 175.452 174.900 0.099 0.000 1.285 364 G CA 0.319 45.457 45.100 0.062 0.000 0.800 364 G HN 1.409 nan 8.290 nan 0.000 0.611 365 S N -0.368 115.382 115.700 0.083 0.000 2.399 365 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 365 S C 1.755 176.461 174.600 0.176 0.000 1.022 365 S CA 1.959 60.233 58.200 0.124 0.000 0.983 365 S CB -0.079 63.167 63.200 0.076 0.000 0.803 365 S HN 0.881 nan 8.310 nan 0.000 0.480 366 E N 0.644 120.935 120.200 0.152 0.000 2.046 366 E HA -0.212 4.138 4.350 -0.000 0.000 0.190 366 E C 2.049 178.769 176.600 0.200 0.000 0.982 366 E CA 1.018 57.505 56.400 0.146 0.000 0.800 366 E CB -0.342 29.423 29.700 0.108 0.000 0.756 366 E HN 0.865 nan 8.360 nan 0.000 0.449 367 H N -1.225 117.906 119.070 0.101 0.000 2.290 367 H HA -0.236 4.320 4.556 -0.000 0.000 0.298 367 H C 2.143 177.529 175.328 0.097 0.000 1.087 367 H CA 1.909 58.013 56.048 0.092 0.000 1.291 367 H CB -0.160 29.658 29.762 0.093 0.000 1.369 367 H HN 0.246 nan 8.280 nan 0.000 0.492 368 Y N 1.478 121.879 120.300 0.169 0.000 2.165 368 Y HA -0.257 4.293 4.550 -0.000 0.000 0.286 368 Y C 2.015 177.958 175.900 0.073 0.000 1.155 368 Y CA 2.003 60.140 58.100 0.062 0.000 1.164 368 Y CB -0.220 38.242 38.460 0.004 0.000 0.978 368 Y HN 0.362 nan 8.280 nan 0.000 0.513 369 D N -0.827 119.665 120.400 0.155 0.000 2.149 369 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 369 D C 2.373 178.671 176.300 -0.004 0.000 0.972 369 D CA 1.450 55.480 54.000 0.050 0.000 0.835 369 D CB -0.282 40.586 40.800 0.114 0.000 0.966 369 D HN 0.316 nan 8.370 nan 0.000 0.476 370 V N 1.572 121.514 119.914 0.045 0.000 2.358 370 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 370 V C 2.576 178.661 176.094 -0.014 0.000 1.047 370 V CA 1.696 64.021 62.300 0.042 0.000 1.035 370 V CB -0.764 31.109 31.823 0.083 0.000 0.658 370 V HN 0.154 nan 8.190 nan 0.000 0.452 371 A N -0.105 122.697 122.820 -0.031 0.000 1.902 371 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 371 A C 2.377 179.863 177.584 -0.163 0.000 1.181 371 A CA 1.482 53.462 52.037 -0.095 0.000 0.623 371 A CB -0.452 18.523 19.000 -0.042 0.000 0.818 371 A HN 0.398 nan 8.150 nan 0.000 0.443 372 R N -0.765 119.580 120.500 -0.259 0.000 2.092 372 R HA -0.101 4.239 4.340 -0.000 0.000 0.231 372 R C 2.355 178.585 176.300 -0.117 0.000 1.119 372 R CA 1.254 57.208 56.100 -0.243 0.000 0.970 372 R CB -1.038 29.057 30.300 -0.341 0.000 0.864 372 R HN 0.548 nan 8.270 nan 0.000 0.440 373 G N 0.313 109.067 108.800 -0.077 0.000 2.408 373 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 373 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 373 G C 1.558 176.448 174.900 -0.016 0.000 1.150 373 G CA 0.467 45.551 45.100 -0.027 0.000 0.776 373 G HN 0.129 nan 8.290 nan 0.000 0.542 374 V N 0.552 120.451 119.914 -0.025 0.000 2.295 374 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 374 V C 2.926 179.004 176.094 -0.027 0.000 1.049 374 V CA 2.219 64.508 62.300 -0.019 0.000 1.024 374 V CB -0.558 31.205 31.823 -0.099 0.000 0.648 374 V HN 0.427 nan 8.190 nan 0.000 0.447 375 Q N -0.297 119.470 119.800 -0.054 0.000 2.084 375 Q HA -0.259 4.081 4.340 -0.000 0.000 0.202 375 Q C 2.379 178.367 176.000 -0.019 0.000 0.978 375 Q CA 1.784 57.562 55.803 -0.041 0.000 0.844 375 Q CB -0.245 28.456 28.738 -0.062 0.000 0.898 375 Q HN 0.582 nan 8.270 nan 0.000 0.426 376 K N 1.013 121.399 120.400 -0.023 0.000 2.032 376 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 376 K C 1.992 178.600 176.600 0.015 0.000 1.048 376 K CA 1.106 57.389 56.287 -0.007 0.000 0.927 376 K CB -0.156 32.337 32.500 -0.010 0.000 0.712 376 K HN 0.193 nan 8.250 nan 0.000 0.441 377 I N 0.875 121.456 120.570 0.019 0.000 2.315 377 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 377 I C 1.848 178.010 176.117 0.075 0.000 1.117 377 I CA 0.990 62.311 61.300 0.035 0.000 1.404 377 I CB 0.105 38.116 38.000 0.018 0.000 1.071 377 I HN 0.243 nan 8.210 nan 0.000 0.419 378 L N 0.101 121.368 121.223 0.073 0.000 2.141 378 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 378 L C 2.503 179.436 176.870 0.105 0.000 1.094 378 L CA 0.976 55.890 54.840 0.124 0.000 0.763 378 L CB -0.498 41.608 42.059 0.078 0.000 0.908 378 L HN 0.319 nan 8.230 nan 0.000 0.437 379 Q N 0.137 119.967 119.800 0.050 0.000 2.187 379 Q HA -0.176 4.164 4.340 -0.000 0.000 0.199 379 Q C 1.686 177.705 176.000 0.032 0.000 0.957 379 Q CA 1.447 57.263 55.803 0.022 0.000 0.857 379 Q CB -0.010 28.729 28.738 0.002 0.000 0.929 379 Q HN 0.319 nan 8.270 nan 0.000 0.453 380 D N -0.887 119.547 120.400 0.056 0.000 2.117 380 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 380 D C 1.470 177.832 176.300 0.103 0.000 0.987 380 D CA 1.068 55.105 54.000 0.061 0.000 0.829 380 D CB -0.278 40.557 40.800 0.058 0.000 0.961 380 D HN 0.339 nan 8.370 nan 0.000 0.460 381 Y N 1.787 122.081 120.300 -0.010 0.000 2.163 381 Y HA -0.138 4.412 4.550 -0.000 0.000 0.288 381 Y C 2.245 178.139 175.900 -0.010 0.000 1.136 381 Y CA 1.533 59.627 58.100 -0.009 0.000 1.147 381 Y CB -0.335 38.120 38.460 -0.007 0.000 0.987 381 Y HN -0.209 nan 8.280 nan 0.000 0.509 382 K N -0.277 120.022 120.400 -0.169 0.000 2.059 382 K HA -0.203 4.117 4.320 -0.000 0.000 0.212 382 K C 2.286 178.787 176.600 -0.164 0.000 1.050 382 K CA 2.054 58.200 56.287 -0.235 0.000 0.927 382 K CB -0.321 32.113 32.500 -0.110 0.000 0.714 382 K HN 0.313 nan 8.250 nan 0.000 0.447 383 S N 0.840 116.492 115.700 -0.080 0.000 2.368 383 S HA -0.104 4.365 4.470 -0.000 0.000 0.225 383 S C 1.810 176.379 174.600 -0.052 0.000 1.030 383 S CA 1.207 59.376 58.200 -0.053 0.000 0.999 383 S CB -0.222 62.965 63.200 -0.022 0.000 0.844 383 S HN 0.241 nan 8.310 nan 0.000 0.459 384 L N 1.319 122.520 121.223 -0.037 0.000 2.046 384 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 384 L C 2.740 179.571 176.870 -0.065 0.000 1.077 384 L CA 1.233 56.063 54.840 -0.018 0.000 0.747 384 L CB -0.704 41.387 42.059 0.053 0.000 0.896 384 L HN 0.355 nan 8.230 nan 0.000 0.432 385 Q N -0.067 119.632 119.800 -0.168 0.000 2.096 385 Q HA -0.319 4.021 4.340 -0.000 0.000 0.208 385 Q C 1.873 177.807 176.000 -0.109 0.000 0.993 385 Q CA 2.174 57.862 55.803 -0.192 0.000 0.862 385 Q CB -0.355 28.178 28.738 -0.342 0.000 0.915 385 Q HN 0.463 nan 8.270 nan 0.000 0.416 386 D N 0.516 120.856 120.400 -0.100 0.000 2.182 386 D HA -0.165 4.475 4.640 -0.000 0.000 0.201 386 D C 1.375 177.648 176.300 -0.045 0.000 0.986 386 D CA 1.122 55.082 54.000 -0.067 0.000 0.847 386 D CB -0.063 40.701 40.800 -0.061 0.000 0.942 386 D HN 0.358 nan 8.370 nan 0.000 0.467 387 I N -0.637 119.910 120.570 -0.038 0.000 3.860 387 I HA 0.123 4.293 4.170 -0.000 0.000 0.319 387 I C 1.663 177.770 176.117 -0.017 0.000 1.279 387 I CA 0.066 61.353 61.300 -0.023 0.000 1.220 387 I CB 0.267 38.258 38.000 -0.015 0.000 1.027 387 I HN -0.014 nan 8.210 nan 0.000 0.428 388 I N 0.760 121.318 120.570 -0.020 0.000 3.854 388 I HA 0.096 4.266 4.170 -0.000 0.000 0.312 388 I C 2.630 178.738 176.117 -0.014 0.000 1.273 388 I CA 0.272 61.566 61.300 -0.010 0.000 1.298 388 I CB 0.087 38.087 38.000 -0.000 0.000 1.071 388 I HN 0.114 nan 8.210 nan 0.000 0.428 389 A N 2.019 124.824 122.820 -0.026 0.000 1.935 389 A HA -0.287 4.033 4.320 -0.000 0.000 0.224 389 A C 2.094 179.669 177.584 -0.015 0.000 1.324 389 A CA 2.266 54.288 52.037 -0.026 0.000 0.686 389 A CB -0.661 18.322 19.000 -0.029 0.000 0.837 389 A HN 0.345 nan 8.150 nan 0.000 0.481 390 I N -1.468 119.095 120.570 -0.012 0.000 2.385 390 I HA 0.027 4.197 4.170 -0.000 0.000 0.244 390 I C 1.908 178.023 176.117 -0.003 0.000 1.089 390 I CA 0.815 62.111 61.300 -0.007 0.000 1.410 390 I CB -1.188 36.809 38.000 -0.007 0.000 1.117 390 I HN 0.233 nan 8.210 nan 0.000 0.429 391 L N 1.095 122.317 121.223 -0.002 0.000 2.715 391 L HA 0.233 4.572 4.340 -0.000 0.000 0.238 391 L C 1.092 177.965 176.870 0.006 0.000 1.212 391 L CA -0.127 54.715 54.840 0.002 0.000 1.017 391 L CB -0.987 41.073 42.059 0.002 0.000 1.269 391 L HN 0.422 nan 8.230 nan 0.000 0.452 392 G N 0.321 109.125 108.800 0.007 0.000 2.649 392 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.281 392 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.281 392 G C 0.512 175.424 174.900 0.020 0.000 1.325 392 G CA 0.244 45.353 45.100 0.014 0.000 0.916 392 G HN 0.265 nan 8.290 nan 0.000 0.562 393 M N 0.192 119.807 119.600 0.026 0.000 2.541 393 M HA 0.043 4.523 4.480 -0.000 0.000 0.252 393 M C 1.910 178.223 176.300 0.022 0.000 1.125 393 M CA 0.941 56.259 55.300 0.030 0.000 1.091 393 M CB -0.184 32.438 32.600 0.037 0.000 1.420 393 M HN 0.573 nan 8.290 nan 0.000 0.486 394 D N 0.980 121.390 120.400 0.016 0.000 2.103 394 D HA -0.198 4.442 4.640 -0.000 0.000 0.190 394 D C 1.673 177.980 176.300 0.012 0.000 0.997 394 D CA 1.438 55.446 54.000 0.013 0.000 0.833 394 D CB -0.343 40.463 40.800 0.010 0.000 0.961 394 D HN 0.201 nan 8.370 nan 0.000 0.447 395 E N 0.111 120.317 120.200 0.011 0.000 2.331 395 E HA -0.057 4.293 4.350 -0.000 0.000 0.199 395 E C 0.693 177.299 176.600 0.011 0.000 1.008 395 E CA -0.127 56.279 56.400 0.009 0.000 0.843 395 E CB -0.383 29.322 29.700 0.007 0.000 0.761 395 E HN 0.167 nan 8.360 nan 0.000 0.507 396 L N 0.395 121.627 121.223 0.015 0.000 2.482 396 L HA 0.032 4.372 4.340 -0.000 0.000 0.273 396 L C 0.344 177.223 176.870 0.015 0.000 1.228 396 L CA 0.174 55.026 54.840 0.019 0.000 0.827 396 L CB 0.721 42.796 42.059 0.028 0.000 1.099 396 L HN -0.071 nan 8.230 nan 0.000 0.494 397 S N 2.133 117.842 115.700 0.015 0.000 2.457 397 S HA 0.242 4.712 4.470 -0.000 0.000 0.289 397 S C 0.896 175.503 174.600 0.011 0.000 1.163 397 S CA -0.625 57.582 58.200 0.012 0.000 1.078 397 S CB 0.665 63.871 63.200 0.010 0.000 0.987 397 S HN 0.644 nan 8.310 nan 0.000 0.482 398 E N 3.045 123.251 120.200 0.009 0.000 2.277 398 E HA -0.294 4.056 4.350 -0.000 0.000 0.216 398 E C 1.517 178.120 176.600 0.005 0.000 1.068 398 E CA 2.089 58.493 56.400 0.007 0.000 0.866 398 E CB -0.291 29.412 29.700 0.005 0.000 0.749 398 E HN 0.970 nan 8.360 nan 0.000 0.465 399 E N 0.524 120.727 120.200 0.006 0.000 2.107 399 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 399 E C 1.201 177.805 176.600 0.007 0.000 0.982 399 E CA 0.910 57.312 56.400 0.004 0.000 0.809 399 E CB 0.121 29.824 29.700 0.005 0.000 0.756 399 E HN 0.095 nan 8.360 nan 0.000 0.459 400 D N 0.761 121.169 120.400 0.014 0.000 2.183 400 D HA -0.074 4.566 4.640 -0.000 0.000 0.203 400 D C 1.674 177.988 176.300 0.023 0.000 0.969 400 D CA 0.725 54.739 54.000 0.024 0.000 0.842 400 D CB -0.017 40.802 40.800 0.031 0.000 0.957 400 D HN 0.135 nan 8.370 nan 0.000 0.484 401 K N -0.106 120.302 120.400 0.014 0.000 2.209 401 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 401 K C 1.766 178.359 176.600 -0.011 0.000 1.048 401 K CA 0.355 56.646 56.287 0.007 0.000 0.940 401 K CB 0.024 32.528 32.500 0.007 0.000 0.729 401 K HN 0.056 nan 8.250 nan 0.000 0.451 402 L N 0.574 121.790 121.223 -0.011 0.000 2.209 402 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 402 L C 1.895 178.741 176.870 -0.041 0.000 1.094 402 L CA 1.711 56.536 54.840 -0.024 0.000 0.790 402 L CB -0.376 41.675 42.059 -0.014 0.000 0.932 402 L HN 0.025 nan 8.230 nan 0.000 0.447 403 T N -1.210 113.330 114.554 -0.025 0.000 2.746 403 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 403 T C 1.968 176.602 174.700 -0.110 0.000 1.039 403 T CA 1.624 63.705 62.100 -0.031 0.000 1.142 403 T CB -0.214 68.668 68.868 0.024 0.000 0.866 403 T HN 0.153 nan 8.240 nan 0.000 0.444 404 V N 2.210 122.062 119.914 -0.103 0.000 2.261 404 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 404 V C 2.849 178.737 176.094 -0.344 0.000 1.047 404 V CA 2.137 64.281 62.300 -0.260 0.000 1.015 404 V CB -1.082 30.719 31.823 -0.037 0.000 0.642 404 V HN 0.668 nan 8.190 nan 0.000 0.446 405 S N 0.456 116.048 115.700 -0.180 0.000 2.368 405 S HA -0.257 4.213 4.470 -0.000 0.000 0.225 405 S C 2.095 176.577 174.600 -0.197 0.000 1.030 405 S CA 1.623 59.731 58.200 -0.155 0.000 0.999 405 S CB -0.475 62.678 63.200 -0.079 0.000 0.844 405 S HN 0.537 nan 8.310 nan 0.000 0.459 406 R N 1.504 121.897 120.500 -0.178 0.000 2.070 406 R HA 0.132 4.472 4.340 -0.000 0.000 0.233 406 R C 2.860 179.030 176.300 -0.216 0.000 1.137 406 R CA 1.374 57.365 56.100 -0.182 0.000 0.945 406 R CB -0.934 29.298 30.300 -0.114 0.000 0.845 406 R HN 0.571 nan 8.270 nan 0.000 0.430 407 A N 1.130 123.791 122.820 -0.265 0.000 1.940 407 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 407 A C 2.066 179.466 177.584 -0.306 0.000 1.176 407 A CA 1.501 53.368 52.037 -0.283 0.000 0.631 407 A CB -0.417 18.296 19.000 -0.478 0.000 0.814 407 A HN 0.243 nan 8.150 nan 0.000 0.446 408 R N -0.343 119.899 120.500 -0.429 0.000 2.092 408 R HA -0.082 4.258 4.340 -0.000 0.000 0.231 408 R C 2.146 178.360 176.300 -0.144 0.000 1.119 408 R CA 1.569 57.517 56.100 -0.253 0.000 0.970 408 R CB -0.248 29.918 30.300 -0.224 0.000 0.864 408 R HN 0.515 nan 8.270 nan 0.000 0.440 409 K N 0.399 120.656 120.400 -0.238 0.000 2.097 409 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 409 K C 2.036 178.483 176.600 -0.255 0.000 1.050 409 K CA 1.074 57.124 56.287 -0.394 0.000 0.938 409 K CB -0.048 31.948 32.500 -0.839 0.000 0.718 409 K HN 0.167 nan 8.250 nan 0.000 0.442 410 I N 1.361 121.862 120.570 -0.114 0.000 2.252 410 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 410 I C 2.466 178.742 176.117 0.265 0.000 1.102 410 I CA 1.222 62.613 61.300 0.152 0.000 1.385 410 I CB -0.166 37.944 38.000 0.184 0.000 1.064 410 I HN 0.219 nan 8.210 nan 0.000 0.414 411 Q N 0.381 120.266 119.800 0.141 0.000 2.096 411 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 411 Q C 2.374 178.484 176.000 0.183 0.000 0.982 411 Q CA 1.615 57.507 55.803 0.147 0.000 0.850 411 Q CB -0.094 28.712 28.738 0.113 0.000 0.901 411 Q HN 0.462 nan 8.270 nan 0.000 0.422 412 R N -0.642 119.974 120.500 0.193 0.000 2.090 412 R HA -0.080 4.260 4.340 -0.000 0.000 0.228 412 R C 1.898 178.392 176.300 0.323 0.000 1.110 412 R CA 0.875 57.149 56.100 0.290 0.000 0.973 412 R CB -0.189 30.299 30.300 0.313 0.000 0.869 412 R HN 0.159 nan 8.270 nan 0.000 0.440 413 F N 1.032 121.071 119.950 0.147 0.000 2.451 413 F HA 0.003 4.530 4.527 -0.000 0.000 0.299 413 F C 1.410 177.356 175.800 0.244 0.000 1.101 413 F CA 0.887 58.950 58.000 0.105 0.000 1.436 413 F CB 0.103 39.017 39.000 -0.143 0.000 1.074 413 F HN -0.071 nan 8.300 nan 0.000 0.553 414 L N -0.445 120.957 121.223 0.298 0.000 2.395 414 L HA -0.033 4.307 4.340 -0.000 0.000 0.218 414 L C 1.548 178.444 176.870 0.044 0.000 1.130 414 L CA 0.347 55.300 54.840 0.188 0.000 0.826 414 L CB -0.822 41.326 42.059 0.148 0.000 0.941 414 L HN 0.129 nan 8.230 nan 0.000 0.451 415 S N -0.173 115.552 115.700 0.041 0.000 2.600 415 S HA 0.325 4.795 4.470 -0.000 0.000 0.265 415 S C -0.278 174.249 174.600 -0.121 0.000 1.325 415 S CA -0.443 57.740 58.200 -0.027 0.000 1.002 415 S CB 1.746 64.950 63.200 0.007 0.000 0.921 415 S HN 0.294 nan 8.310 nan 0.000 0.554 416 Q N 0.290 119.993 119.800 -0.161 0.000 2.518 416 Q HA 0.318 4.658 4.340 -0.000 0.000 0.254 416 Q C -3.194 172.721 176.000 -0.142 0.000 0.962 416 Q CA -1.490 54.233 55.803 -0.132 0.000 0.982 416 Q CB 2.041 30.759 28.738 -0.033 0.000 1.516 416 Q HN 0.580 nan 8.270 nan 0.000 0.426 417 P HA 0.181 nan 4.420 nan 0.000 0.282 417 P C -1.011 176.428 177.300 0.230 0.000 1.262 417 P CA 0.311 63.431 63.100 0.034 0.000 0.773 417 P CB 0.146 31.873 31.700 0.045 0.000 0.879 418 F N 1.674 121.640 119.950 0.026 0.000 2.399 418 F HA 0.195 4.722 4.527 -0.000 0.000 0.334 418 F C 2.266 178.083 175.800 0.027 0.000 1.097 418 F CA -0.835 57.179 58.000 0.024 0.000 1.076 418 F CB 1.806 40.824 39.000 0.030 0.000 1.162 418 F HN 0.392 nan 8.300 nan 0.000 0.495 419 Q N 1.761 121.656 119.800 0.158 0.000 2.152 419 Q HA -0.171 4.169 4.340 -0.000 0.000 0.206 419 Q C 1.778 177.834 176.000 0.092 0.000 0.985 419 Q CA 2.143 57.996 55.803 0.085 0.000 0.863 419 Q CB -0.003 28.748 28.738 0.022 0.000 0.904 419 Q HN 0.699 nan 8.270 nan 0.000 0.422 420 V N -2.917 117.062 119.914 0.108 0.000 3.573 420 V HA 0.242 4.362 4.120 -0.000 0.000 0.270 420 V C 1.339 177.536 176.094 0.171 0.000 1.221 420 V CA 1.102 63.468 62.300 0.109 0.000 1.163 420 V CB -0.133 31.741 31.823 0.085 0.000 0.847 420 V HN 0.295 nan 8.190 nan 0.000 0.468 421 A N -0.203 122.745 122.820 0.214 0.000 2.503 421 A HA 0.331 4.651 4.320 -0.000 0.000 0.263 421 A C 1.666 179.356 177.584 0.177 0.000 1.258 421 A CA 0.196 52.385 52.037 0.252 0.000 0.936 421 A CB -0.266 18.841 19.000 0.178 0.000 1.070 421 A HN 0.553 nan 8.150 nan 0.000 0.522 422 E N -0.066 120.190 120.200 0.094 0.000 2.219 422 E HA -0.174 4.176 4.350 -0.000 0.000 0.198 422 E C 1.505 178.069 176.600 -0.060 0.000 0.998 422 E CA 1.359 57.777 56.400 0.030 0.000 0.818 422 E CB -0.261 29.450 29.700 0.019 0.000 0.741 422 E HN 0.412 nan 8.360 nan 0.000 0.477 423 V N 0.390 120.204 119.914 -0.167 0.000 2.515 423 V HA -0.204 3.916 4.120 -0.000 0.000 0.250 423 V C 1.652 177.457 176.094 -0.481 0.000 1.058 423 V CA 1.605 63.665 62.300 -0.400 0.000 1.064 423 V CB -0.394 31.071 31.823 -0.597 0.000 0.675 423 V HN 0.209 nan 8.190 nan 0.000 0.461 424 F N 0.276 120.192 119.950 -0.056 0.000 2.387 424 F HA -0.029 4.498 4.527 -0.000 0.000 0.294 424 F C 2.569 178.322 175.800 -0.077 0.000 1.093 424 F CA 1.240 59.198 58.000 -0.070 0.000 1.420 424 F CB -0.742 38.192 39.000 -0.109 0.000 1.086 424 F HN 0.234 nan 8.300 nan 0.000 0.531 425 T N -3.177 111.417 114.554 0.067 0.000 3.051 425 T HA 0.270 4.620 4.350 -0.000 0.000 0.255 425 T C 1.747 176.286 174.700 -0.268 0.000 1.085 425 T CA 0.514 62.598 62.100 -0.027 0.000 1.109 425 T CB -0.324 68.585 68.868 0.068 0.000 0.921 425 T HN 0.388 nan 8.240 nan 0.000 0.488 426 G N 1.433 110.127 108.800 -0.177 0.000 2.323 426 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.292 426 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.292 426 G C -0.260 174.490 174.900 -0.250 0.000 1.040 426 G CA 0.360 45.336 45.100 -0.208 0.000 0.942 426 G HN 0.876 nan 8.290 nan 0.000 0.506 427 H N -1.954 117.117 119.070 0.001 0.000 2.856 427 H HA 0.458 5.014 4.556 -0.000 0.000 0.355 427 H C 0.005 175.334 175.328 0.002 0.000 1.079 427 H CA -1.243 54.802 56.048 -0.005 0.000 1.240 427 H CB 1.681 31.430 29.762 -0.021 0.000 1.701 427 H HN 0.238 nan 8.280 nan 0.000 0.527 428 L N 2.105 123.403 121.223 0.126 0.000 2.483 428 L HA 0.241 4.581 4.340 -0.000 0.000 0.276 428 L C 0.916 177.829 176.870 0.072 0.000 1.213 428 L CA 0.497 55.380 54.840 0.072 0.000 0.843 428 L CB 0.493 42.578 42.059 0.043 0.000 1.107 428 L HN 0.826 nan 8.230 nan 0.000 0.487 429 G N 3.182 112.024 108.800 0.070 0.000 2.569 429 G HA2 0.320 4.280 3.960 -0.000 0.000 0.249 429 G HA3 0.320 4.280 3.960 -0.000 0.000 0.249 429 G C -0.815 174.120 174.900 0.059 0.000 1.216 429 G CA -0.512 44.639 45.100 0.086 0.000 0.845 429 G HN 0.539 nan 8.290 nan 0.000 0.568 430 K N 0.213 120.656 120.400 0.072 0.000 2.468 430 K HA 0.356 4.676 4.320 -0.000 0.000 0.252 430 K C -1.714 174.911 176.600 0.042 0.000 0.932 430 K CA -0.949 55.362 56.287 0.040 0.000 0.794 430 K CB 2.678 35.188 32.500 0.017 0.000 1.241 430 K HN 0.285 nan 8.250 nan 0.000 0.428 431 L N 3.096 124.331 121.223 0.019 0.000 2.294 431 L HA 0.365 4.705 4.340 -0.000 0.000 0.283 431 L C -1.194 175.683 176.870 0.011 0.000 1.015 431 L CA -0.742 54.103 54.840 0.010 0.000 0.831 431 L CB 1.530 43.589 42.059 -0.000 0.000 1.217 431 L HN 0.312 nan 8.230 nan 0.000 0.420 432 V N 7.486 127.407 119.914 0.011 0.000 2.370 432 V HA 0.487 4.607 4.120 -0.000 0.000 0.279 432 V C -1.986 174.119 176.094 0.019 0.000 1.029 432 V CA -1.598 60.711 62.300 0.015 0.000 0.870 432 V CB 1.229 33.055 31.823 0.005 0.000 0.984 432 V HN 0.685 nan 8.190 nan 0.000 0.451 433 P HA 0.084 nan 4.420 nan 0.000 0.269 433 P C 0.718 178.034 177.300 0.027 0.000 1.209 433 P CA -0.350 62.766 63.100 0.026 0.000 0.776 433 P CB 0.793 32.509 31.700 0.028 0.000 0.876 434 L N 4.195 125.431 121.223 0.021 0.000 1.990 434 L HA -0.237 4.103 4.340 -0.000 0.000 0.213 434 L C 2.231 179.100 176.870 -0.002 0.000 1.072 434 L CA 2.141 56.984 54.840 0.004 0.000 0.755 434 L CB -1.284 40.785 42.059 0.018 0.000 0.889 434 L HN 0.428 nan 8.230 nan 0.000 0.432 435 K N -0.878 119.533 120.400 0.019 0.000 2.103 435 K HA -0.220 4.100 4.320 -0.000 0.000 0.207 435 K C 1.695 178.322 176.600 0.045 0.000 1.048 435 K CA 2.030 58.332 56.287 0.026 0.000 0.930 435 K CB -0.647 31.874 32.500 0.034 0.000 0.716 435 K HN 0.548 nan 8.250 nan 0.000 0.444 436 E N 0.561 120.795 120.200 0.057 0.000 2.158 436 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 436 E C 1.885 178.569 176.600 0.140 0.000 0.982 436 E CA 1.259 57.711 56.400 0.087 0.000 0.823 436 E CB -0.041 29.706 29.700 0.078 0.000 0.766 436 E HN 0.348 nan 8.360 nan 0.000 0.468 437 T N 1.496 116.128 114.554 0.130 0.000 2.746 437 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 437 T C 1.954 176.840 174.700 0.309 0.000 1.039 437 T CA 0.839 63.076 62.100 0.229 0.000 1.142 437 T CB -0.119 68.828 68.868 0.131 0.000 0.866 437 T HN 0.098 nan 8.240 nan 0.000 0.444 438 I N 0.889 121.536 120.570 0.128 0.000 2.202 438 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 438 I C 2.578 178.789 176.117 0.156 0.000 1.091 438 I CA 1.326 62.688 61.300 0.104 0.000 1.368 438 I CB -0.344 37.641 38.000 -0.025 0.000 1.058 438 I HN 0.200 nan 8.210 nan 0.000 0.410 439 K N 1.325 121.797 120.400 0.119 0.000 2.044 439 K HA -0.200 4.120 4.320 -0.000 0.000 0.210 439 K C 2.112 178.774 176.600 0.103 0.000 1.049 439 K CA 1.956 58.303 56.287 0.100 0.000 0.927 439 K CB -0.526 32.023 32.500 0.081 0.000 0.713 439 K HN 0.367 nan 8.250 nan 0.000 0.443 440 G N -0.033 108.835 108.800 0.114 0.000 2.418 440 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 440 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 440 G C 1.231 176.024 174.900 -0.179 0.000 1.158 440 G CA 0.700 45.767 45.100 -0.054 0.000 0.771 440 G HN 0.310 nan 8.290 nan 0.000 0.545 441 F N 0.329 120.369 119.950 0.150 0.000 2.206 441 F HA 0.061 4.588 4.527 -0.000 0.000 0.298 441 F C 2.876 178.705 175.800 0.048 0.000 1.090 441 F CA 1.330 59.393 58.000 0.105 0.000 1.323 441 F CB -0.198 38.875 39.000 0.122 0.000 1.028 441 F HN 0.144 nan 8.300 nan 0.000 0.492 442 Q N 0.357 120.275 119.800 0.197 0.000 2.096 442 Q HA -0.272 4.068 4.340 -0.000 0.000 0.204 442 Q C 2.114 178.150 176.000 0.060 0.000 0.982 442 Q CA 2.005 57.875 55.803 0.111 0.000 0.850 442 Q CB -0.088 28.704 28.738 0.091 0.000 0.901 442 Q HN 0.485 nan 8.270 nan 0.000 0.422 443 Q N -0.110 119.720 119.800 0.049 0.000 2.046 443 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 443 Q C 2.165 178.167 176.000 0.003 0.000 0.975 443 Q CA 1.551 57.363 55.803 0.014 0.000 0.836 443 Q CB -0.106 28.688 28.738 0.093 0.000 0.896 443 Q HN 0.471 nan 8.270 nan 0.000 0.428 444 I N 0.726 121.315 120.570 0.032 0.000 2.163 444 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 444 I C 2.130 178.232 176.117 -0.024 0.000 1.085 444 I CA 1.201 62.492 61.300 -0.015 0.000 1.347 444 I CB -0.348 37.544 38.000 -0.180 0.000 1.044 444 I HN 0.213 nan 8.210 nan 0.000 0.408 445 L N 0.545 121.775 121.223 0.012 0.000 2.265 445 L HA -0.139 4.201 4.340 -0.000 0.000 0.215 445 L C 2.487 179.355 176.870 -0.004 0.000 1.117 445 L CA 0.919 55.768 54.840 0.015 0.000 0.782 445 L CB -0.483 41.604 42.059 0.047 0.000 0.914 445 L HN 0.246 nan 8.230 nan 0.000 0.441 446 A N -0.893 121.918 122.820 -0.016 0.000 2.251 446 A HA 0.343 4.663 4.320 -0.000 0.000 0.209 446 A C 1.760 179.314 177.584 -0.049 0.000 1.187 446 A CA 0.696 52.715 52.037 -0.030 0.000 0.823 446 A CB -0.154 18.825 19.000 -0.034 0.000 0.846 446 A HN 0.474 nan 8.150 nan 0.000 0.486 447 G N -0.387 108.381 108.800 -0.052 0.000 2.175 447 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.244 447 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.244 447 G C 0.500 175.353 174.900 -0.077 0.000 0.982 447 G CA 0.495 45.568 45.100 -0.045 0.000 0.641 447 G HN 0.577 nan 8.290 nan 0.000 0.527 448 E N -0.913 119.172 120.200 -0.192 0.000 2.396 448 E HA -0.071 4.279 4.350 -0.000 0.000 0.200 448 E C 0.641 176.933 176.600 -0.514 0.000 1.023 448 E CA 1.044 57.198 56.400 -0.411 0.000 0.857 448 E CB -0.135 29.194 29.700 -0.618 0.000 0.775 448 E HN 0.811 nan 8.360 nan 0.000 0.525 449 Y N -0.720 119.641 120.300 0.101 0.000 2.696 449 Y HA 0.145 4.695 4.550 -0.000 0.000 0.255 449 Y C 0.562 176.498 175.900 0.061 0.000 1.103 449 Y CA -0.629 57.518 58.100 0.077 0.000 1.126 449 Y CB 0.662 39.207 38.460 0.142 0.000 1.197 449 Y HN -0.121 nan 8.280 nan 0.000 0.574 450 D N 0.138 120.680 120.400 0.237 0.000 2.351 450 D HA -0.139 4.501 4.640 -0.000 0.000 0.216 450 D C 1.755 178.174 176.300 0.199 0.000 0.968 450 D CA 1.287 55.383 54.000 0.159 0.000 0.899 450 D CB 0.006 40.867 40.800 0.103 0.000 0.907 450 D HN 0.636 nan 8.370 nan 0.000 0.514 451 H N -1.109 118.017 119.070 0.093 0.000 2.622 451 H HA 0.186 4.742 4.556 -0.000 0.000 0.269 451 H C 0.778 176.164 175.328 0.096 0.000 0.977 451 H CA -0.230 55.862 56.048 0.073 0.000 1.179 451 H CB -0.167 29.624 29.762 0.048 0.000 1.458 451 H HN 0.039 nan 8.280 nan 0.000 0.531 452 L N 3.468 124.549 121.223 -0.237 0.000 2.395 452 L HA 0.297 4.637 4.340 -0.000 0.000 0.269 452 L C -2.043 174.865 176.870 0.063 0.000 1.133 452 L CA -2.040 52.730 54.840 -0.117 0.000 0.812 452 L CB 0.721 42.672 42.059 -0.182 0.000 1.125 452 L HN 0.009 nan 8.230 nan 0.000 0.452 453 P HA 0.075 nan 4.420 nan 0.000 0.271 453 P C 0.199 177.595 177.300 0.160 0.000 1.218 453 P CA -0.256 62.882 63.100 0.064 0.000 0.780 453 P CB 0.963 32.674 31.700 0.019 0.000 0.901 454 E N 1.011 121.305 120.200 0.157 0.000 2.065 454 E HA -0.278 4.072 4.350 -0.000 0.000 0.201 454 E C 1.978 178.734 176.600 0.259 0.000 1.016 454 E CA 1.542 58.069 56.400 0.211 0.000 0.818 454 E CB -0.090 29.658 29.700 0.080 0.000 0.749 454 E HN 0.507 nan 8.360 nan 0.000 0.453 455 Q N -0.167 119.709 119.800 0.126 0.000 2.248 455 Q HA -0.198 4.142 4.340 -0.000 0.000 0.208 455 Q C 2.064 178.127 176.000 0.105 0.000 0.984 455 Q CA 1.480 57.346 55.803 0.104 0.000 0.875 455 Q CB -0.502 28.265 28.738 0.049 0.000 0.910 455 Q HN 0.281 nan 8.270 nan 0.000 0.433 456 A N 0.392 123.205 122.820 -0.011 0.000 2.067 456 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 456 A C 1.442 178.842 177.584 -0.306 0.000 1.158 456 A CA 0.685 52.585 52.037 -0.229 0.000 0.661 456 A CB -0.572 18.146 19.000 -0.471 0.000 0.801 456 A HN 0.300 nan 8.150 nan 0.000 0.452 457 F N -2.394 117.566 119.950 0.018 0.000 2.797 457 F HA 0.199 4.726 4.527 -0.000 0.000 0.302 457 F C 0.668 176.574 175.800 0.177 0.000 1.130 457 F CA -0.349 57.696 58.000 0.075 0.000 1.387 457 F CB -0.271 38.751 39.000 0.035 0.000 1.107 457 F HN 0.293 nan 8.300 nan 0.000 0.577 458 Y N 1.194 121.583 120.300 0.149 0.000 2.319 458 Y HA 0.331 4.881 4.550 -0.000 0.000 0.328 458 Y C 0.720 176.630 175.900 0.018 0.000 1.133 458 Y CA -1.670 56.488 58.100 0.097 0.000 1.265 458 Y CB 0.375 38.885 38.460 0.085 0.000 1.218 458 Y HN 0.044 nan 8.280 nan 0.000 0.508 459 M N 5.874 125.081 119.600 -0.654 0.000 2.303 459 M HA -0.165 4.315 4.480 -0.000 0.000 0.189 459 M C -1.169 174.900 176.300 -0.385 0.000 0.688 459 M CA 1.104 56.029 55.300 -0.626 0.000 0.479 459 M CB -2.579 29.512 32.600 -0.848 0.000 1.094 459 M HN 0.481 nan 8.290 nan 0.000 0.907 460 V N -3.244 116.540 119.914 -0.215 0.000 3.119 460 V HA 1.092 5.212 4.120 -0.000 0.000 0.311 460 V C 0.728 176.753 176.094 -0.115 0.000 1.259 460 V CA -0.184 62.029 62.300 -0.145 0.000 1.067 460 V CB 1.450 33.236 31.823 -0.062 0.000 1.123 460 V HN 0.395 nan 8.190 nan 0.000 0.463 461 G N -0.126 108.635 108.800 -0.064 0.000 3.380 461 G HA2 0.499 4.459 3.960 -0.000 0.000 0.188 461 G HA3 0.499 4.459 3.960 -0.000 0.000 0.188 461 G C -2.266 172.634 174.900 0.001 0.000 1.892 461 G CA -0.340 44.730 45.100 -0.050 0.000 0.912 461 G HN 0.776 nan 8.290 nan 0.000 0.609 462 P HA 0.123 nan 4.420 nan 0.000 0.274 462 P C 0.647 178.092 177.300 0.241 0.000 1.260 462 P CA -0.487 62.714 63.100 0.168 0.000 0.793 462 P CB 1.175 32.927 31.700 0.086 0.000 1.048 463 I N 0.466 121.143 120.570 0.178 0.000 2.493 463 I HA -0.196 3.974 4.170 -0.000 0.000 0.254 463 I C 1.826 177.826 176.117 -0.194 0.000 1.160 463 I CA 1.592 62.805 61.300 -0.145 0.000 1.445 463 I CB -0.967 36.865 38.000 -0.280 0.000 1.086 463 I HN 0.226 nan 8.210 nan 0.000 0.433 464 E N 0.550 120.702 120.200 -0.080 0.000 2.160 464 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 464 E C 2.055 178.590 176.600 -0.109 0.000 0.991 464 E CA 1.369 57.719 56.400 -0.083 0.000 0.810 464 E CB -0.259 29.424 29.700 -0.028 0.000 0.742 464 E HN 0.578 nan 8.360 nan 0.000 0.466 465 E N 0.110 120.262 120.200 -0.080 0.000 2.150 465 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 465 E C 2.034 178.529 176.600 -0.175 0.000 0.985 465 E CA 0.782 57.124 56.400 -0.096 0.000 0.814 465 E CB -0.117 29.548 29.700 -0.058 0.000 0.752 465 E HN 0.288 nan 8.360 nan 0.000 0.466 466 A N 1.098 123.764 122.820 -0.258 0.000 1.877 466 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 466 A C 2.515 179.781 177.584 -0.531 0.000 1.186 466 A CA 1.107 52.846 52.037 -0.497 0.000 0.620 466 A CB -0.744 17.751 19.000 -0.842 0.000 0.822 466 A HN 0.109 nan 8.150 nan 0.000 0.443 467 V N -0.065 119.568 119.914 -0.469 0.000 2.255 467 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 467 V C 3.071 179.039 176.094 -0.210 0.000 1.051 467 V CA 2.144 64.246 62.300 -0.331 0.000 1.018 467 V CB -1.319 30.378 31.823 -0.210 0.000 0.641 467 V HN 0.654 nan 8.190 nan 0.000 0.445 468 A N -0.097 122.625 122.820 -0.164 0.000 1.849 468 A HA -0.345 3.975 4.320 -0.000 0.000 0.217 468 A C 2.306 179.817 177.584 -0.122 0.000 1.202 468 A CA 2.566 54.536 52.037 -0.111 0.000 0.629 468 A CB -0.751 18.198 19.000 -0.085 0.000 0.834 468 A HN 0.538 nan 8.150 nan 0.000 0.447 469 K N -0.390 119.922 120.400 -0.146 0.000 2.189 469 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 469 K C 1.997 178.513 176.600 -0.139 0.000 1.046 469 K CA 1.541 57.748 56.287 -0.132 0.000 0.928 469 K CB -0.350 32.060 32.500 -0.149 0.000 0.720 469 K HN 0.435 nan 8.250 nan 0.000 0.458 470 A N 1.370 124.073 122.820 -0.195 0.000 1.873 470 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 470 A C 1.728 179.253 177.584 -0.098 0.000 1.186 470 A CA 1.882 53.815 52.037 -0.174 0.000 0.616 470 A CB -0.578 18.281 19.000 -0.235 0.000 0.823 470 A HN 0.396 nan 8.150 nan 0.000 0.442 471 D N -0.356 119.994 120.400 -0.083 0.000 2.087 471 D HA -0.189 4.451 4.640 -0.000 0.000 0.192 471 D C 1.874 178.152 176.300 -0.037 0.000 0.993 471 D CA 1.733 55.706 54.000 -0.046 0.000 0.828 471 D CB -0.389 40.387 40.800 -0.039 0.000 0.968 471 D HN 0.525 nan 8.370 nan 0.000 0.448 472 K N 0.425 120.800 120.400 -0.042 0.000 2.089 472 K HA -0.169 4.151 4.320 -0.000 0.000 0.210 472 K C 2.294 178.880 176.600 -0.023 0.000 1.048 472 K CA 1.039 57.308 56.287 -0.029 0.000 0.926 472 K CB -0.225 32.255 32.500 -0.032 0.000 0.714 472 K HN 0.097 nan 8.250 nan 0.000 0.448 473 L N 0.140 121.343 121.223 -0.033 0.000 2.156 473 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 473 L C 1.062 177.923 176.870 -0.015 0.000 1.095 473 L CA 0.397 55.224 54.840 -0.021 0.000 0.770 473 L CB -0.643 41.399 42.059 -0.029 0.000 0.914 473 L HN 0.441 nan 8.230 nan 0.000 0.439 474 A N 0.000 122.808 122.820 -0.020 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 474 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486