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 2ck3_1_E DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDIX XXXXXXXLSE 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 0.000 174.825 174.700 0.208 0.000 1.109 9 T CA 0.000 62.178 62.100 0.130 0.000 1.349 9 T CB 0.000 68.960 68.868 0.154 0.000 0.612 10 T N 1.436 116.071 114.554 0.134 0.000 2.770 10 T HA 0.729 5.079 4.350 -0.000 0.000 0.283 10 T C 0.693 175.294 174.700 -0.165 0.000 0.988 10 T CA -0.288 61.830 62.100 0.030 0.000 0.957 10 T CB 1.233 70.092 68.868 -0.015 0.000 0.930 10 T HN 1.051 nan 8.240 nan 0.000 0.443 11 G N 2.256 110.720 108.800 -0.560 0.000 2.613 11 G HA2 0.739 4.699 3.960 -0.000 0.000 0.303 11 G HA3 0.739 4.699 3.960 -0.000 0.000 0.303 11 G C -0.860 173.704 174.900 -0.560 0.000 1.312 11 G CA -0.975 43.461 45.100 -1.108 0.000 1.036 11 G HN 0.614 nan 8.290 nan 0.000 0.513 12 R N -0.814 119.400 120.500 -0.476 0.000 2.628 12 R HA 0.355 4.695 4.340 -0.000 0.000 0.288 12 R C -0.656 175.525 176.300 -0.199 0.000 0.980 12 R CA -0.773 55.175 56.100 -0.254 0.000 0.891 12 R CB 2.476 32.672 30.300 -0.174 0.000 1.188 12 R HN 0.364 nan 8.270 nan 0.000 0.450 13 I N 3.214 123.706 120.570 -0.131 0.000 2.598 13 I HA -0.083 4.087 4.170 -0.000 0.000 0.284 13 I C 1.495 177.571 176.117 -0.068 0.000 1.140 13 I CA 0.167 61.417 61.300 -0.084 0.000 1.420 13 I CB 0.904 38.871 38.000 -0.056 0.000 1.387 13 I HN 0.574 nan 8.210 nan 0.000 0.553 14 V N 3.075 122.957 119.914 -0.053 0.000 3.635 14 V HA 0.570 4.690 4.120 -0.000 0.000 0.266 14 V C 0.569 176.648 176.094 -0.025 0.000 1.316 14 V CA 0.313 62.590 62.300 -0.039 0.000 1.060 14 V CB 0.168 31.968 31.823 -0.037 0.000 0.820 14 V HN 0.702 nan 8.190 nan 0.000 0.447 15 A N -0.124 122.684 122.820 -0.020 0.000 2.520 15 A HA 0.823 5.143 4.320 -0.000 0.000 0.298 15 A C -1.236 176.342 177.584 -0.010 0.000 1.051 15 A CA -0.421 51.608 52.037 -0.013 0.000 0.690 15 A CB 2.295 21.291 19.000 -0.007 0.000 1.281 15 A HN 0.535 nan 8.150 nan 0.000 0.402 16 V N 2.715 122.623 119.914 -0.009 0.000 2.447 16 V HA 0.469 4.589 4.120 -0.000 0.000 0.292 16 V C -0.879 175.212 176.094 -0.006 0.000 1.021 16 V CA 0.008 62.304 62.300 -0.007 0.000 0.850 16 V CB 1.166 32.983 31.823 -0.009 0.000 1.005 16 V HN 0.705 nan 8.190 nan 0.000 0.426 17 I N 4.678 125.246 120.570 -0.004 0.000 2.521 17 I HA 0.637 4.807 4.170 -0.000 0.000 0.277 17 I C 1.026 177.141 176.117 -0.004 0.000 1.054 17 I CA 0.081 61.379 61.300 -0.004 0.000 1.117 17 I CB 1.331 39.329 38.000 -0.004 0.000 1.217 17 I HN 0.837 nan 8.210 nan 0.000 0.469 18 G N 4.579 113.376 108.800 -0.005 0.000 2.611 18 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.301 18 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.301 18 G C 0.785 175.683 174.900 -0.004 0.000 1.233 18 G CA 0.364 45.461 45.100 -0.005 0.000 0.993 18 G HN 0.860 nan 8.290 nan 0.000 0.553 19 A N -0.602 122.216 122.820 -0.004 0.000 2.327 19 A HA 0.580 4.900 4.320 -0.000 0.000 0.228 19 A C 0.663 178.248 177.584 0.001 0.000 1.275 19 A CA 1.294 53.330 52.037 -0.002 0.000 0.875 19 A CB -0.139 18.859 19.000 -0.003 0.000 0.925 19 A HN 1.431 nan 8.150 nan 0.000 0.493 20 V N 0.654 120.568 119.914 0.001 0.000 2.417 20 V HA 0.432 4.552 4.120 -0.000 0.000 0.291 20 V C -0.582 175.515 176.094 0.005 0.000 1.024 20 V CA -0.472 61.831 62.300 0.004 0.000 0.861 20 V CB 1.507 33.331 31.823 0.002 0.000 0.985 20 V HN 0.071 nan 8.190 nan 0.000 0.436 21 V N 3.772 123.693 119.914 0.011 0.000 2.531 21 V HA 0.491 4.611 4.120 -0.000 0.000 0.301 21 V C -0.919 175.186 176.094 0.018 0.000 1.034 21 V CA -0.768 61.538 62.300 0.010 0.000 0.865 21 V CB 2.115 33.943 31.823 0.010 0.000 0.995 21 V HN 0.809 nan 8.190 nan 0.000 0.424 22 D N 3.181 123.588 120.400 0.011 0.000 2.177 22 D HA 0.634 5.274 4.640 -0.000 0.000 0.247 22 D C -0.550 175.753 176.300 0.005 0.000 1.063 22 D CA -0.089 53.921 54.000 0.017 0.000 0.867 22 D CB 2.287 43.092 40.800 0.009 0.000 1.168 22 D HN 0.285 nan 8.370 nan 0.000 0.445 23 V N 1.800 121.731 119.914 0.028 0.000 2.638 23 V HA 0.310 4.430 4.120 -0.000 0.000 0.306 23 V C -0.217 175.870 176.094 -0.013 0.000 1.052 23 V CA -0.948 61.337 62.300 -0.025 0.000 0.885 23 V CB 1.913 33.745 31.823 0.016 0.000 0.999 23 V HN 0.395 nan 8.190 nan 0.000 0.424 24 Q N 2.784 122.500 119.800 -0.140 0.000 2.271 24 Q HA 0.647 4.987 4.340 -0.000 0.000 0.258 24 Q C -1.877 173.973 176.000 -0.251 0.000 0.936 24 Q CA -0.437 55.314 55.803 -0.086 0.000 0.909 24 Q CB 1.346 30.041 28.738 -0.072 0.000 1.253 24 Q HN 0.642 nan 8.270 nan 0.000 0.440 25 F N 2.020 121.936 119.950 -0.057 0.000 2.495 25 F HA 0.241 4.768 4.527 -0.000 0.000 0.327 25 F C 0.740 176.514 175.800 -0.044 0.000 1.103 25 F CA -0.694 57.275 58.000 -0.051 0.000 0.949 25 F CB 1.739 40.702 39.000 -0.062 0.000 1.142 25 F HN 0.628 nan 8.300 nan 0.000 0.457 26 D N 0.831 121.297 120.400 0.110 0.000 2.149 26 D HA -0.066 4.574 4.640 -0.000 0.000 0.201 26 D C 1.193 177.532 176.300 0.065 0.000 0.972 26 D CA 1.329 55.364 54.000 0.058 0.000 0.835 26 D CB 0.424 41.238 40.800 0.024 0.000 0.966 26 D HN 0.509 nan 8.370 nan 0.000 0.476 27 E N 0.109 120.363 120.200 0.091 0.000 3.686 27 E HA 0.338 4.688 4.350 -0.000 0.000 0.357 27 E C 0.767 177.386 176.600 0.033 0.000 0.562 27 E CA -0.310 56.122 56.400 0.053 0.000 2.008 27 E CB -0.691 29.036 29.700 0.045 0.000 2.161 27 E HN -0.011 nan 8.360 nan 0.000 0.464 28 G N 1.280 110.083 108.800 0.005 0.000 2.378 28 G HA2 0.357 4.317 3.960 -0.000 0.000 0.255 28 G HA3 0.357 4.317 3.960 -0.000 0.000 0.255 28 G C -0.393 174.430 174.900 -0.128 0.000 1.270 28 G CA -0.267 44.808 45.100 -0.042 0.000 0.876 28 G HN -0.051 nan 8.290 nan 0.000 0.521 29 L N 4.026 125.143 121.223 -0.176 0.000 2.395 29 L HA 0.333 4.673 4.340 -0.000 0.000 0.269 29 L C -1.474 175.180 176.870 -0.360 0.000 1.133 29 L CA -1.500 53.113 54.840 -0.378 0.000 0.812 29 L CB 1.125 42.922 42.059 -0.437 0.000 1.125 29 L HN 0.371 nan 8.230 nan 0.000 0.452 30 P HA 0.167 nan 4.420 nan 0.000 0.271 30 P C -2.656 174.634 177.300 -0.017 0.000 1.226 30 P CA -1.326 61.588 63.100 -0.309 0.000 0.765 30 P CB 0.085 31.533 31.700 -0.420 0.000 0.835 31 P HA 0.067 nan 4.420 nan 0.000 0.268 31 P C 0.568 177.860 177.300 -0.013 0.000 1.208 31 P CA 0.106 63.216 63.100 0.017 0.000 0.777 31 P CB 0.572 32.242 31.700 -0.050 0.000 0.875 32 I N 2.843 123.344 120.570 -0.116 0.000 2.826 32 I HA -0.184 3.986 4.170 -0.000 0.000 0.295 32 I C 1.585 177.623 176.117 -0.131 0.000 1.213 32 I CA 0.793 62.024 61.300 -0.115 0.000 1.436 32 I CB -0.418 37.477 38.000 -0.175 0.000 1.348 32 I HN 0.466 nan 8.210 nan 0.000 0.570 33 L N 1.898 123.037 121.223 -0.139 0.000 3.558 33 L HA -0.238 4.102 4.340 -0.000 0.000 0.422 33 L C 0.298 177.101 176.870 -0.111 0.000 0.740 33 L CA 0.113 54.817 54.840 -0.225 0.000 2.578 33 L CB -1.458 40.349 42.059 -0.421 0.000 1.116 33 L HN 0.667 nan 8.230 nan 0.000 0.626 34 N N 1.487 120.149 118.700 -0.063 0.000 2.454 34 N HA 0.434 5.174 4.740 -0.000 0.000 0.254 34 N C 0.305 175.813 175.510 -0.003 0.000 1.228 34 N CA 0.995 54.027 53.050 -0.030 0.000 0.900 34 N CB 0.821 39.281 38.487 -0.045 0.000 1.089 34 N HN 0.321 nan 8.380 nan 0.000 0.449 35 A N 2.841 125.670 122.820 0.014 0.000 2.366 35 A HA 0.490 4.810 4.320 -0.000 0.000 0.272 35 A C -0.327 177.275 177.584 0.030 0.000 1.135 35 A CA -0.419 51.635 52.037 0.028 0.000 0.804 35 A CB -0.065 18.953 19.000 0.030 0.000 1.064 35 A HN 0.635 nan 8.150 nan 0.000 0.499 36 L N 2.223 123.476 121.223 0.049 0.000 2.334 36 L HA 0.496 4.836 4.340 -0.000 0.000 0.276 36 L C -0.200 176.703 176.870 0.055 0.000 1.014 36 L CA -0.725 54.161 54.840 0.076 0.000 0.815 36 L CB 1.705 43.844 42.059 0.134 0.000 1.268 36 L HN 0.576 nan 8.230 nan 0.000 0.428 37 E N 2.727 122.956 120.200 0.049 0.000 2.113 37 E HA 0.279 4.629 4.350 -0.000 0.000 0.273 37 E C -0.761 175.852 176.600 0.022 0.000 0.924 37 E CA -0.580 55.836 56.400 0.026 0.000 0.764 37 E CB 2.416 32.124 29.700 0.013 0.000 1.104 37 E HN 0.228 nan 8.360 nan 0.000 0.406 38 V N 4.273 124.195 119.914 0.013 0.000 2.521 38 V HA -0.031 4.089 4.120 -0.000 0.000 0.286 38 V C 0.681 176.772 176.094 -0.005 0.000 1.034 38 V CA -0.266 62.035 62.300 0.001 0.000 1.045 38 V CB 0.626 32.448 31.823 -0.001 0.000 0.974 38 V HN 0.467 nan 8.190 nan 0.000 0.480 39 Q N 2.547 122.340 119.800 -0.013 0.000 2.306 39 Q HA 0.417 4.757 4.340 -0.000 0.000 0.241 39 Q C 1.049 177.040 176.000 -0.015 0.000 0.948 39 Q CA 0.508 56.303 55.803 -0.014 0.000 0.886 39 Q CB 1.175 29.902 28.738 -0.018 0.000 1.227 39 Q HN 1.167 nan 8.270 nan 0.000 0.457 40 G N 1.533 110.325 108.800 -0.012 0.000 2.324 40 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.292 40 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.292 40 G C 0.262 175.156 174.900 -0.010 0.000 1.079 40 G CA 0.860 45.953 45.100 -0.012 0.000 1.026 40 G HN 0.546 nan 8.290 nan 0.000 0.506 41 R N -0.937 119.558 120.500 -0.008 0.000 2.722 41 R HA 0.663 5.003 4.340 -0.000 0.000 0.210 41 R C 1.506 177.803 176.300 -0.004 0.000 1.453 41 R CA 0.330 56.426 56.100 -0.006 0.000 0.964 41 R CB 0.483 30.780 30.300 -0.004 0.000 2.311 41 R HN 0.294 nan 8.270 nan 0.000 0.517 42 E N -0.900 119.298 120.200 -0.003 0.000 2.629 42 E HA 0.088 4.438 4.350 -0.000 0.000 0.197 42 E C 0.093 176.693 176.600 -0.001 0.000 0.955 42 E CA 0.379 56.778 56.400 -0.002 0.000 1.191 42 E CB 0.517 30.217 29.700 -0.001 0.000 1.175 42 E HN 0.642 nan 8.360 nan 0.000 0.501 43 T N -0.597 113.957 114.554 0.000 0.000 2.888 43 T HA 0.394 4.744 4.350 -0.000 0.000 0.283 43 T C 0.120 174.820 174.700 0.001 0.000 1.013 43 T CA -0.847 61.253 62.100 0.001 0.000 0.938 43 T CB 1.476 70.346 68.868 0.003 0.000 1.298 43 T HN -0.071 nan 8.240 nan 0.000 0.580 44 R N 0.138 120.640 120.500 0.003 0.000 2.254 44 R HA 0.523 4.863 4.340 -0.000 0.000 0.318 44 R C -1.394 174.910 176.300 0.006 0.000 1.031 44 R CA -0.780 55.321 56.100 0.003 0.000 0.905 44 R CB 0.299 30.600 30.300 0.002 0.000 1.050 44 R HN 0.530 nan 8.270 nan 0.000 0.456 45 L N 6.116 127.343 121.223 0.006 0.000 2.318 45 L HA 0.366 4.706 4.340 -0.000 0.000 0.277 45 L C -1.364 175.515 176.870 0.014 0.000 1.008 45 L CA -0.517 54.328 54.840 0.009 0.000 0.846 45 L CB 1.746 43.809 42.059 0.007 0.000 1.220 45 L HN 0.363 nan 8.230 nan 0.000 0.423 46 V N 6.306 126.231 119.914 0.018 0.000 2.439 46 V HA 0.464 4.584 4.120 -0.000 0.000 0.282 46 V C 0.026 176.138 176.094 0.030 0.000 1.039 46 V CA -0.531 61.784 62.300 0.025 0.000 0.913 46 V CB 1.593 33.432 31.823 0.026 0.000 0.983 46 V HN 0.570 nan 8.190 nan 0.000 0.460 47 L N 4.257 125.502 121.223 0.037 0.000 2.333 47 L HA 0.591 4.931 4.340 -0.000 0.000 0.280 47 L C -0.012 176.885 176.870 0.045 0.000 1.004 47 L CA -0.344 54.520 54.840 0.041 0.000 0.820 47 L CB 1.800 43.887 42.059 0.048 0.000 1.247 47 L HN 0.633 nan 8.230 nan 0.000 0.416 48 E N 2.598 122.823 120.200 0.041 0.000 2.146 48 E HA 0.330 4.680 4.350 -0.000 0.000 0.282 48 E C -0.916 175.698 176.600 0.025 0.000 0.989 48 E CA -0.778 55.644 56.400 0.035 0.000 0.799 48 E CB 1.746 31.476 29.700 0.050 0.000 1.088 48 E HN 0.343 nan 8.360 nan 0.000 0.397 49 V N 4.166 124.090 119.914 0.017 0.000 2.529 49 V HA 0.067 4.187 4.120 -0.000 0.000 0.292 49 V C 0.908 177.003 176.094 0.001 0.000 1.028 49 V CA 0.943 63.259 62.300 0.026 0.000 1.074 49 V CB 0.837 32.682 31.823 0.036 0.000 0.958 49 V HN 0.892 nan 8.190 nan 0.000 0.481 50 A N 4.125 126.956 122.820 0.019 0.000 2.070 50 A HA 0.339 4.659 4.320 -0.000 0.000 0.202 50 A C 0.680 178.267 177.584 0.005 0.000 1.277 50 A CA 0.169 52.204 52.037 -0.003 0.000 0.872 50 A CB 0.421 19.422 19.000 0.002 0.000 0.933 50 A HN 0.759 nan 8.150 nan 0.000 0.475 51 Q N -0.795 119.038 119.800 0.055 0.000 2.418 51 Q HA 0.360 4.700 4.340 -0.000 0.000 0.282 51 Q C -1.688 174.441 176.000 0.215 0.000 1.044 51 Q CA -0.573 55.275 55.803 0.076 0.000 0.813 51 Q CB 1.887 30.656 28.738 0.052 0.000 1.428 51 Q HN 0.617 nan 8.270 nan 0.000 0.402 52 H N 2.175 121.236 119.070 -0.015 0.000 2.597 52 H HA 0.236 4.792 4.556 -0.000 0.000 0.303 52 H C 0.593 175.921 175.328 -0.000 0.000 1.057 52 H CA -0.250 55.793 56.048 -0.008 0.000 1.261 52 H CB 1.028 30.779 29.762 -0.018 0.000 1.397 52 H HN 0.437 nan 8.280 nan 0.000 0.461 53 L N 2.890 124.165 121.223 0.087 0.000 2.492 53 L HA 0.136 4.476 4.340 -0.000 0.000 0.223 53 L C 1.225 178.117 176.870 0.037 0.000 1.132 53 L CA 0.486 55.356 54.840 0.050 0.000 0.850 53 L CB -0.101 41.977 42.059 0.032 0.000 0.966 53 L HN 0.886 nan 8.230 nan 0.000 0.454 54 G N 0.290 109.110 108.800 0.034 0.000 2.712 54 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.683 54 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.683 54 G C -0.000 174.903 174.900 0.005 0.000 1.320 54 G CA -0.429 44.683 45.100 0.020 0.000 0.847 54 G HN 0.337 nan 8.290 nan 0.000 0.553 55 E N -0.878 119.324 120.200 0.004 0.000 2.328 55 E HA -0.201 4.149 4.350 -0.000 0.000 0.233 55 E C 1.096 177.696 176.600 -0.001 0.000 1.219 55 E CA 1.111 57.512 56.400 0.001 0.000 0.717 55 E CB -1.510 28.191 29.700 0.002 0.000 1.210 55 E HN 2.007 nan 8.360 nan 0.000 0.381 56 S N -2.385 113.311 115.700 -0.008 0.000 3.380 56 S HA -0.208 4.262 4.470 -0.000 0.000 0.300 56 S C 0.200 174.812 174.600 0.019 0.000 1.255 56 S CA 1.522 59.721 58.200 -0.001 0.000 0.963 56 S CB -0.936 62.277 63.200 0.022 0.000 1.106 56 S HN 0.463 nan 8.310 nan 0.000 0.629 57 T N 1.665 116.217 114.554 -0.003 0.000 2.823 57 T HA 0.631 4.981 4.350 -0.000 0.000 0.279 57 T C 0.212 174.911 174.700 -0.003 0.000 0.998 57 T CA -0.248 61.863 62.100 0.019 0.000 0.994 57 T CB 1.843 70.718 68.868 0.012 0.000 0.960 57 T HN 0.535 nan 8.240 nan 0.000 0.448 58 V N 1.495 121.434 119.914 0.041 0.000 2.667 58 V HA 0.768 4.888 4.120 -0.000 0.000 0.308 58 V C -0.279 175.855 176.094 0.068 0.000 1.048 58 V CA -1.361 60.964 62.300 0.042 0.000 0.928 58 V CB 1.688 33.533 31.823 0.037 0.000 1.004 58 V HN 0.838 nan 8.190 nan 0.000 0.444 59 R N 2.169 122.709 120.500 0.067 0.000 2.346 59 R HA 0.732 5.072 4.340 -0.000 0.000 0.311 59 R C -0.161 176.170 176.300 0.052 0.000 0.983 59 R CA 0.292 56.423 56.100 0.050 0.000 0.880 59 R CB 1.544 31.867 30.300 0.037 0.000 1.100 59 R HN 1.175 nan 8.270 nan 0.000 0.453 60 T N 2.085 116.665 114.554 0.044 0.000 2.916 60 T HA 0.533 4.883 4.350 -0.000 0.000 0.292 60 T C 0.087 174.803 174.700 0.026 0.000 1.055 60 T CA -1.022 61.102 62.100 0.040 0.000 1.009 60 T CB 1.084 69.984 68.868 0.053 0.000 1.118 60 T HN 0.577 nan 8.240 nan 0.000 0.497 61 I N 0.292 120.875 120.570 0.023 0.000 2.377 61 I HA 0.812 4.982 4.170 -0.000 0.000 0.293 61 I C 0.188 176.317 176.117 0.021 0.000 0.987 61 I CA -1.394 59.916 61.300 0.017 0.000 1.185 61 I CB 1.208 39.214 38.000 0.011 0.000 1.341 61 I HN 0.865 nan 8.210 nan 0.000 0.455 62 A N 6.895 129.724 122.820 0.016 0.000 2.354 62 A HA 0.505 4.825 4.320 -0.000 0.000 0.269 62 A C 0.804 178.398 177.584 0.017 0.000 1.109 62 A CA -0.604 51.443 52.037 0.016 0.000 0.800 62 A CB 0.755 19.761 19.000 0.011 0.000 1.045 62 A HN 0.889 nan 8.150 nan 0.000 0.489 63 M N 0.586 120.198 119.600 0.020 0.000 2.502 63 M HA 0.151 4.631 4.480 -0.000 0.000 0.243 63 M C -0.021 176.289 176.300 0.017 0.000 1.130 63 M CA 0.722 56.035 55.300 0.021 0.000 1.055 63 M CB -0.874 31.743 32.600 0.027 0.000 1.457 63 M HN 0.792 nan 8.290 nan 0.000 0.488 64 D N -1.030 119.378 120.400 0.013 0.000 2.744 64 D HA 0.494 5.134 4.640 -0.000 0.000 0.304 64 D C -0.443 175.861 176.300 0.007 0.000 1.179 64 D CA -0.222 53.784 54.000 0.011 0.000 1.024 64 D CB 1.363 42.170 40.800 0.011 0.000 1.453 64 D HN 0.102 nan 8.370 nan 0.000 0.529 65 G N -1.026 107.777 108.800 0.005 0.000 2.559 65 G HA2 0.325 4.285 3.960 -0.000 0.000 0.235 65 G HA3 0.325 4.285 3.960 -0.000 0.000 0.235 65 G C 0.740 175.641 174.900 0.002 0.000 1.266 65 G CA 0.577 45.678 45.100 0.002 0.000 0.847 65 G HN 0.420 nan 8.290 nan 0.000 0.583 66 T N -1.680 112.874 114.554 -0.000 0.000 3.085 66 T HA 0.178 4.528 4.350 -0.000 0.000 0.264 66 T C 0.706 175.404 174.700 -0.003 0.000 1.019 66 T CA -0.039 62.060 62.100 -0.001 0.000 0.910 66 T CB 0.089 68.956 68.868 -0.001 0.000 1.059 66 T HN 0.665 nan 8.240 nan 0.000 0.542 67 E N 1.957 122.155 120.200 -0.003 0.000 2.415 67 E HA 0.287 4.637 4.350 -0.000 0.000 0.262 67 E C 1.203 177.801 176.600 -0.005 0.000 1.038 67 E CA 0.646 57.044 56.400 -0.004 0.000 0.921 67 E CB 0.031 29.729 29.700 -0.003 0.000 0.950 67 E HN 0.458 nan 8.360 nan 0.000 0.438 68 G N 2.185 110.981 108.800 -0.006 0.000 2.179 68 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.260 68 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.260 68 G C 0.290 175.184 174.900 -0.009 0.000 0.977 68 G CA 0.322 45.418 45.100 -0.007 0.000 0.641 68 G HN 0.471 nan 8.290 nan 0.000 0.533 69 L N 0.802 122.019 121.223 -0.010 0.000 2.426 69 L HA 0.517 4.857 4.340 -0.000 0.000 0.271 69 L C 0.604 177.465 176.870 -0.015 0.000 1.169 69 L CA -0.501 54.331 54.840 -0.013 0.000 0.836 69 L CB 1.310 43.362 42.059 -0.012 0.000 1.112 69 L HN -0.005 nan 8.230 nan 0.000 0.465 70 V N 3.273 123.176 119.914 -0.019 0.000 2.628 70 V HA 0.388 4.508 4.120 -0.000 0.000 0.306 70 V C 0.088 176.166 176.094 -0.027 0.000 1.045 70 V CA -0.954 61.333 62.300 -0.021 0.000 0.905 70 V CB 1.918 33.728 31.823 -0.021 0.000 0.997 70 V HN 0.665 nan 8.190 nan 0.000 0.436 71 R N 2.179 122.663 120.500 -0.027 0.000 2.449 71 R HA 0.441 4.781 4.340 -0.000 0.000 0.296 71 R C 1.249 177.525 176.300 -0.039 0.000 1.047 71 R CA 0.998 57.078 56.100 -0.033 0.000 1.018 71 R CB 0.234 30.517 30.300 -0.028 0.000 0.962 71 R HN 1.197 nan 8.270 nan 0.000 0.428 72 G N 1.800 110.569 108.800 -0.052 0.000 2.213 72 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.226 72 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.226 72 G C 0.186 175.048 174.900 -0.063 0.000 0.992 72 G CA -0.199 44.866 45.100 -0.059 0.000 0.632 72 G HN 0.586 nan 8.290 nan 0.000 0.511 73 Q N 0.879 120.645 119.800 -0.056 0.000 2.286 73 Q HA 0.414 4.753 4.340 -0.000 0.000 0.290 73 Q C 0.264 176.221 176.000 -0.072 0.000 1.049 73 Q CA 0.298 56.069 55.803 -0.052 0.000 0.923 73 Q CB 0.299 29.014 28.738 -0.040 0.000 1.183 73 Q HN 0.279 nan 8.270 nan 0.000 0.383 74 K N 1.642 122.003 120.400 -0.066 0.000 2.326 74 K HA 0.304 4.623 4.320 -0.000 0.000 0.275 74 K C -1.230 175.326 176.600 -0.073 0.000 1.018 74 K CA -0.077 56.161 56.287 -0.081 0.000 0.962 74 K CB 1.224 33.688 32.500 -0.060 0.000 0.953 74 K HN 0.325 nan 8.250 nan 0.000 0.475 75 V N 4.120 123.972 119.914 -0.103 0.000 2.577 75 V HA 0.297 4.417 4.120 -0.000 0.000 0.303 75 V C -1.132 174.965 176.094 0.004 0.000 1.042 75 V CA -1.012 61.255 62.300 -0.054 0.000 0.872 75 V CB 1.812 33.590 31.823 -0.075 0.000 0.998 75 V HN 0.551 nan 8.190 nan 0.000 0.423 76 L N 3.857 125.118 121.223 0.062 0.000 2.282 76 L HA 0.589 4.929 4.340 -0.000 0.000 0.288 76 L C -0.419 176.541 176.870 0.150 0.000 1.033 76 L CA -0.087 54.814 54.840 0.103 0.000 0.807 76 L CB 1.542 43.629 42.059 0.047 0.000 1.209 76 L HN 0.767 nan 8.230 nan 0.000 0.423 77 D N 2.451 122.974 120.400 0.204 0.000 2.371 77 D HA 0.030 4.670 4.640 -0.000 0.000 0.256 77 D C 1.245 177.566 176.300 0.034 0.000 1.193 77 D CA 0.234 54.290 54.000 0.094 0.000 0.881 77 D CB 1.362 42.157 40.800 -0.008 0.000 1.143 77 D HN 0.616 nan 8.370 nan 0.000 0.473 78 S N 2.805 118.513 115.700 0.013 0.000 2.428 78 S HA 0.095 4.565 4.470 -0.000 0.000 0.230 78 S C 1.719 176.308 174.600 -0.018 0.000 1.014 78 S CA 0.695 58.892 58.200 -0.006 0.000 0.957 78 S CB -0.113 63.080 63.200 -0.012 0.000 0.784 78 S HN 0.924 nan 8.310 nan 0.000 0.499 79 G N 0.262 109.048 108.800 -0.024 0.000 2.176 79 G HA2 0.160 4.120 3.960 -0.000 0.000 0.232 79 G HA3 0.160 4.120 3.960 -0.000 0.000 0.232 79 G C 0.110 174.996 174.900 -0.024 0.000 0.986 79 G CA -0.204 44.878 45.100 -0.029 0.000 0.643 79 G HN 1.556 nan 8.290 nan 0.000 0.522 80 A N -0.810 122.000 122.820 -0.018 0.000 2.599 80 A HA 0.914 5.234 4.320 -0.000 0.000 0.290 80 A C -3.003 174.585 177.584 0.007 0.000 1.101 80 A CA -0.744 51.290 52.037 -0.005 0.000 0.674 80 A CB 1.016 20.017 19.000 0.001 0.000 1.277 80 A HN 0.086 nan 8.150 nan 0.000 0.419 81 P HA 0.297 nan 4.420 nan 0.000 0.272 81 P C -0.318 177.027 177.300 0.076 0.000 1.254 81 P CA -0.223 62.917 63.100 0.068 0.000 0.795 81 P CB 0.175 31.955 31.700 0.134 0.000 1.022 82 I N 0.652 121.285 120.570 0.105 0.000 2.906 82 I HA -0.116 4.054 4.170 -0.000 0.000 0.301 82 I C 1.148 177.303 176.117 0.064 0.000 1.221 82 I CA 1.102 62.446 61.300 0.073 0.000 1.435 82 I CB -0.241 37.806 38.000 0.077 0.000 1.345 82 I HN 0.133 nan 8.210 nan 0.000 0.558 83 R N 6.735 127.262 120.500 0.045 0.000 2.494 83 R HA 0.663 5.003 4.340 -0.000 0.000 0.305 83 R C -0.883 175.490 176.300 0.122 0.000 0.959 83 R CA -0.802 55.340 56.100 0.070 0.000 0.864 83 R CB 1.761 32.083 30.300 0.037 0.000 1.159 83 R HN 0.552 nan 8.270 nan 0.000 0.446 84 I N -0.458 120.216 120.570 0.173 0.000 2.846 84 I HA 0.614 4.784 4.170 -0.000 0.000 0.307 84 I C -2.669 173.565 176.117 0.195 0.000 1.053 84 I CA -3.313 58.100 61.300 0.188 0.000 1.050 84 I CB 1.709 39.750 38.000 0.069 0.000 1.239 84 I HN 0.335 nan 8.210 nan 0.000 0.439 85 P HA 0.205 nan 4.420 nan 0.000 0.267 85 P C -0.857 176.247 177.300 -0.327 0.000 1.209 85 P CA -0.097 62.793 63.100 -0.349 0.000 0.763 85 P CB 0.596 32.134 31.700 -0.269 0.000 0.816 86 V N 1.188 120.816 119.914 -0.478 0.000 2.656 86 V HA 1.029 5.149 4.120 -0.000 0.000 0.307 86 V C 0.095 175.590 176.094 -0.998 0.000 1.051 86 V CA -0.317 61.632 62.300 -0.586 0.000 0.893 86 V CB 1.480 33.057 31.823 -0.410 0.000 0.999 86 V HN 0.876 nan 8.190 nan 0.000 0.426 87 G N 3.799 111.843 108.800 -1.261 0.000 2.369 87 G HA2 0.306 4.266 3.960 -0.000 0.000 0.293 87 G HA3 0.306 4.266 3.960 -0.000 0.000 0.293 87 G C -2.742 171.837 174.900 -0.535 0.000 1.301 87 G CA 0.099 44.416 45.100 -1.305 0.000 0.913 87 G HN 0.545 nan 8.290 nan 0.000 0.540 88 P HA -0.021 nan 4.420 nan 0.000 0.219 88 P C 1.029 178.303 177.300 -0.044 0.000 1.146 88 P CA 1.398 64.534 63.100 0.060 0.000 0.808 88 P CB 0.162 31.899 31.700 0.061 0.000 0.779 89 E N -0.533 119.597 120.200 -0.117 0.000 2.478 89 E HA -0.076 4.274 4.350 -0.000 0.000 0.198 89 E C 1.866 178.405 176.600 -0.102 0.000 1.046 89 E CA 1.285 57.619 56.400 -0.109 0.000 0.870 89 E CB -1.007 28.614 29.700 -0.130 0.000 0.818 89 E HN 0.438 nan 8.360 nan 0.000 0.527 90 T N -1.629 112.866 114.554 -0.098 0.000 3.023 90 T HA 0.023 4.373 4.350 -0.000 0.000 0.266 90 T C 0.896 175.583 174.700 -0.022 0.000 1.093 90 T CA -0.031 62.031 62.100 -0.063 0.000 1.129 90 T CB -0.193 68.638 68.868 -0.061 0.000 0.899 90 T HN 0.007 nan 8.240 nan 0.000 0.491 91 L N 2.199 123.410 121.223 -0.020 0.000 2.534 91 L HA 0.409 4.748 4.340 -0.000 0.000 0.271 91 L C 1.669 178.504 176.870 -0.057 0.000 1.178 91 L CA 0.891 55.691 54.840 -0.067 0.000 0.907 91 L CB 0.000 41.935 42.059 -0.208 0.000 1.164 91 L HN 0.608 nan 8.230 nan 0.000 0.482 92 G N 2.129 110.909 108.800 -0.034 0.000 2.195 92 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.246 92 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.246 92 G C 0.354 175.265 174.900 0.018 0.000 0.984 92 G CA -0.499 44.595 45.100 -0.010 0.000 0.633 92 G HN 0.464 nan 8.290 nan 0.000 0.525 93 R N -0.007 120.478 120.500 -0.024 0.000 2.643 93 R HA 0.751 5.091 4.340 -0.000 0.000 0.272 93 R C 0.233 176.453 176.300 -0.134 0.000 0.995 93 R CA -0.822 55.242 56.100 -0.060 0.000 1.032 93 R CB 0.813 31.073 30.300 -0.066 0.000 1.126 93 R HN 0.330 nan 8.270 nan 0.000 0.505 94 I N 2.981 123.417 120.570 -0.223 0.000 2.362 94 I HA 0.387 4.557 4.170 -0.000 0.000 0.289 94 I C 0.445 176.435 176.117 -0.212 0.000 0.994 94 I CA -0.662 60.437 61.300 -0.336 0.000 1.158 94 I CB 1.375 39.037 38.000 -0.565 0.000 1.315 94 I HN 0.407 nan 8.210 nan 0.000 0.451 95 M N 4.483 123.987 119.600 -0.159 0.000 2.724 95 M HA 0.615 5.094 4.480 -0.000 0.000 0.310 95 M C -0.864 175.415 176.300 -0.035 0.000 1.217 95 M CA -0.693 54.561 55.300 -0.077 0.000 0.894 95 M CB 1.985 34.558 32.600 -0.045 0.000 1.719 95 M HN 0.502 nan 8.290 nan 0.000 0.479 96 N N 0.813 119.513 118.700 0.001 0.000 2.495 96 N HA 0.218 4.958 4.740 -0.000 0.000 0.294 96 N C 0.514 176.046 175.510 0.036 0.000 1.276 96 N CA -0.737 52.334 53.050 0.036 0.000 0.973 96 N CB 0.234 38.743 38.487 0.038 0.000 1.143 96 N HN 0.627 nan 8.380 nan 0.000 0.589 97 V N -0.400 119.540 119.914 0.044 0.000 2.469 97 V HA -0.131 3.989 4.120 -0.000 0.000 0.251 97 V C 1.617 177.729 176.094 0.031 0.000 1.064 97 V CA 1.875 64.198 62.300 0.037 0.000 1.066 97 V CB -0.854 30.993 31.823 0.039 0.000 0.667 97 V HN 0.656 nan 8.190 nan 0.000 0.461 98 I N -2.273 118.316 120.570 0.032 0.000 3.812 98 I HA 0.505 4.675 4.170 -0.000 0.000 0.320 98 I C 1.376 177.515 176.117 0.038 0.000 1.276 98 I CA 0.679 61.998 61.300 0.033 0.000 1.164 98 I CB -0.267 37.750 38.000 0.028 0.000 1.009 98 I HN 0.327 nan 8.210 nan 0.000 0.431 99 G N 1.115 109.937 108.800 0.036 0.000 2.157 99 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.248 99 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.248 99 G C -0.104 174.819 174.900 0.038 0.000 0.979 99 G CA -0.093 45.033 45.100 0.043 0.000 0.650 99 G HN 0.621 nan 8.290 nan 0.000 0.529 100 E N 1.969 122.184 120.200 0.025 0.000 2.338 100 E HA 0.324 4.674 4.350 -0.000 0.000 0.272 100 E C -2.073 174.523 176.600 -0.006 0.000 1.029 100 E CA -1.555 54.854 56.400 0.015 0.000 0.872 100 E CB 1.090 30.797 29.700 0.012 0.000 1.015 100 E HN 0.217 nan 8.360 nan 0.000 0.417 101 P HA -0.011 nan 4.420 nan 0.000 0.271 101 P C 0.108 177.381 177.300 -0.044 0.000 1.216 101 P CA 0.521 63.598 63.100 -0.040 0.000 0.771 101 P CB 0.346 32.026 31.700 -0.033 0.000 0.864 102 I N -0.718 119.806 120.570 -0.076 0.000 4.102 102 I HA 0.238 4.408 4.170 -0.000 0.000 0.325 102 I C 0.194 176.241 176.117 -0.116 0.000 1.471 102 I CA -0.265 60.993 61.300 -0.069 0.000 1.133 102 I CB 0.083 38.062 38.000 -0.036 0.000 1.184 102 I HN 0.025 nan 8.210 nan 0.000 0.451 103 D N 0.520 120.829 120.400 -0.152 0.000 2.363 103 D HA 0.019 4.659 4.640 -0.000 0.000 0.214 103 D C 0.351 176.605 176.300 -0.078 0.000 1.093 103 D CA -0.132 53.751 54.000 -0.196 0.000 0.837 103 D CB -0.203 40.422 40.800 -0.292 0.000 0.948 103 D HN 0.470 nan 8.370 nan 0.000 0.507 104 E N -0.236 119.937 120.200 -0.046 0.000 2.440 104 E HA -0.268 4.082 4.350 -0.000 0.000 0.246 104 E C 0.457 177.055 176.600 -0.002 0.000 1.165 104 E CA 0.240 56.632 56.400 -0.013 0.000 0.726 104 E CB -1.117 28.584 29.700 0.003 0.000 1.271 104 E HN 0.429 nan 8.360 nan 0.000 0.397 105 R N -0.312 120.182 120.500 -0.011 0.000 2.437 105 R HA 0.265 4.605 4.340 -0.000 0.000 0.257 105 R C 0.897 177.194 176.300 -0.005 0.000 0.927 105 R CA 0.375 56.474 56.100 -0.001 0.000 1.078 105 R CB 1.282 31.583 30.300 0.002 0.000 1.161 105 R HN 0.321 nan 8.270 nan 0.000 0.529 106 G N 1.752 110.547 108.800 -0.008 0.000 2.631 106 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.504 106 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.504 106 G C -2.690 172.206 174.900 -0.007 0.000 1.306 106 G CA -1.320 43.778 45.100 -0.004 0.000 0.897 106 G HN -0.063 nan 8.290 nan 0.000 0.520 107 P HA 0.355 nan 4.420 nan 0.000 0.267 107 P C 0.176 177.470 177.300 -0.010 0.000 1.200 107 P CA -0.043 63.061 63.100 0.007 0.000 0.772 107 P CB 0.318 32.030 31.700 0.021 0.000 0.855 108 I N 3.090 123.650 120.570 -0.016 0.000 2.294 108 I HA 0.090 4.260 4.170 -0.000 0.000 0.295 108 I C 0.730 176.795 176.117 -0.087 0.000 1.098 108 I CA -0.104 61.162 61.300 -0.057 0.000 1.277 108 I CB -0.037 37.920 38.000 -0.073 0.000 1.434 108 I HN 0.108 nan 8.210 nan 0.000 0.498 109 K N 5.401 125.750 120.400 -0.084 0.000 2.307 109 K HA 0.141 4.461 4.320 -0.000 0.000 0.240 109 K C 0.348 176.854 176.600 -0.157 0.000 1.214 109 K CA -0.277 55.957 56.287 -0.088 0.000 1.149 109 K CB -0.134 32.338 32.500 -0.048 0.000 1.668 109 K HN 0.590 nan 8.250 nan 0.000 0.314 110 T N -1.888 112.498 114.554 -0.280 0.000 2.899 110 T HA 0.162 4.512 4.350 -0.000 0.000 0.284 110 T C 0.920 175.420 174.700 -0.333 0.000 1.004 110 T CA -0.917 60.961 62.100 -0.370 0.000 1.043 110 T CB 1.327 69.856 68.868 -0.565 0.000 1.013 110 T HN 0.472 nan 8.240 nan 0.000 0.518 111 K N 0.047 120.295 120.400 -0.253 0.000 2.404 111 K HA 0.225 4.545 4.320 -0.000 0.000 0.194 111 K C -0.156 176.360 176.600 -0.140 0.000 1.023 111 K CA -0.215 55.986 56.287 -0.143 0.000 1.094 111 K CB 0.093 32.553 32.500 -0.067 0.000 0.841 111 K HN 0.508 nan 8.250 nan 0.000 0.523 112 Q N 0.263 119.891 119.800 -0.288 0.000 2.421 112 Q HA 0.516 4.856 4.340 -0.000 0.000 0.280 112 Q C -1.397 174.341 176.000 -0.438 0.000 1.085 112 Q CA -0.588 55.095 55.803 -0.200 0.000 0.807 112 Q CB 1.761 30.444 28.738 -0.092 0.000 1.405 112 Q HN 0.050 nan 8.270 nan 0.000 0.419 113 F N 0.243 120.162 119.950 -0.052 0.000 2.561 113 F HA 0.915 5.442 4.527 -0.000 0.000 0.321 113 F C -0.319 175.465 175.800 -0.028 0.000 1.065 113 F CA -0.915 57.054 58.000 -0.051 0.000 0.934 113 F CB 2.105 41.084 39.000 -0.035 0.000 1.215 113 F HN 0.581 nan 8.300 nan 0.000 0.471 114 A N 1.119 124.034 122.820 0.160 0.000 2.486 114 A HA 0.818 5.138 4.320 -0.000 0.000 0.300 114 A C -1.160 176.474 177.584 0.083 0.000 1.048 114 A CA -0.772 51.322 52.037 0.095 0.000 0.696 114 A CB 1.011 20.043 19.000 0.054 0.000 1.278 114 A HN 1.029 nan 8.150 nan 0.000 0.405 115 A N 1.373 124.235 122.820 0.070 0.000 2.488 115 A HA 0.447 4.767 4.320 -0.000 0.000 0.249 115 A C 1.103 178.714 177.584 0.046 0.000 1.083 115 A CA 0.268 52.345 52.037 0.067 0.000 0.768 115 A CB -0.471 18.573 19.000 0.073 0.000 1.017 115 A HN 1.701 nan 8.150 nan 0.000 0.496 116 I N -0.339 120.247 120.570 0.026 0.000 2.761 116 I HA 0.029 4.199 4.170 -0.000 0.000 0.261 116 I C 0.245 176.257 176.117 -0.174 0.000 1.198 116 I CA 0.490 61.746 61.300 -0.072 0.000 1.482 116 I CB -0.273 37.660 38.000 -0.112 0.000 1.100 116 I HN 0.536 nan 8.210 nan 0.000 0.445 117 H N 2.969 122.052 119.070 0.021 0.000 2.640 117 H HA 0.721 5.277 4.556 -0.000 0.000 0.297 117 H C -0.574 174.762 175.328 0.014 0.000 1.073 117 H CA -0.187 55.872 56.048 0.017 0.000 1.305 117 H CB 1.254 31.024 29.762 0.013 0.000 1.404 117 H HN 0.421 nan 8.280 nan 0.000 0.459 118 A N 4.081 126.953 122.820 0.088 0.000 2.455 118 A HA 0.280 4.600 4.320 -0.000 0.000 0.300 118 A C -0.060 177.552 177.584 0.048 0.000 1.040 118 A CA -0.879 51.192 52.037 0.057 0.000 0.697 118 A CB 1.589 20.608 19.000 0.031 0.000 1.265 118 A HN 0.673 nan 8.150 nan 0.000 0.407 119 E N 1.226 121.451 120.200 0.043 0.000 2.413 119 E HA 0.326 4.676 4.350 -0.000 0.000 0.263 119 E C 0.674 177.290 176.600 0.026 0.000 1.015 119 E CA 0.218 56.639 56.400 0.036 0.000 0.916 119 E CB 0.912 30.631 29.700 0.032 0.000 0.947 119 E HN 0.797 nan 8.360 nan 0.000 0.440 120 A N 4.617 127.453 122.820 0.026 0.000 2.466 120 A HA 0.178 4.498 4.320 -0.000 0.000 0.238 120 A C -2.035 175.562 177.584 0.022 0.000 1.074 120 A CA -1.027 51.022 52.037 0.019 0.000 0.774 120 A CB -0.429 18.585 19.000 0.024 0.000 1.015 120 A HN 0.343 nan 8.150 nan 0.000 0.498 121 P HA 0.055 nan 4.420 nan 0.000 0.265 121 P C -0.052 177.265 177.300 0.029 0.000 1.187 121 P CA 0.235 63.342 63.100 0.011 0.000 0.766 121 P CB 0.394 32.091 31.700 -0.006 0.000 0.820 122 E N 1.431 121.652 120.200 0.036 0.000 2.369 122 E HA 0.022 4.372 4.350 -0.000 0.000 0.255 122 E C 0.895 177.551 176.600 0.094 0.000 1.172 122 E CA -0.317 56.128 56.400 0.074 0.000 0.932 122 E CB 0.096 29.838 29.700 0.070 0.000 1.040 122 E HN 0.382 nan 8.360 nan 0.000 0.454 123 F N 1.778 121.729 119.950 0.003 0.000 2.091 123 F HA -0.265 4.262 4.527 -0.000 0.000 0.299 123 F C 1.987 177.787 175.800 0.000 0.000 1.103 123 F CA 2.086 60.087 58.000 0.002 0.000 1.228 123 F CB -0.314 38.688 39.000 0.002 0.000 0.984 123 F HN 0.287 nan 8.300 nan 0.000 0.477 124 V N -2.137 117.817 119.914 0.067 0.000 2.867 124 V HA -0.192 3.928 4.120 -0.000 0.000 0.260 124 V C 1.524 177.567 176.094 -0.085 0.000 1.099 124 V CA 1.990 64.278 62.300 -0.020 0.000 1.122 124 V CB -1.047 30.809 31.823 0.054 0.000 0.708 124 V HN 0.458 nan 8.190 nan 0.000 0.490 125 E N -0.114 120.041 120.200 -0.076 0.000 2.489 125 E HA 0.175 4.525 4.350 -0.000 0.000 0.193 125 E C 0.529 177.067 176.600 -0.104 0.000 1.057 125 E CA -0.232 56.127 56.400 -0.069 0.000 0.866 125 E CB 0.031 29.710 29.700 -0.035 0.000 0.916 125 E HN 0.466 nan 8.360 nan 0.000 0.500 126 M N 1.026 120.517 119.600 -0.181 0.000 2.238 126 M HA 0.090 4.570 4.480 -0.000 0.000 0.347 126 M C 0.350 176.552 176.300 -0.164 0.000 1.173 126 M CA 0.112 55.295 55.300 -0.194 0.000 1.147 126 M CB 1.045 33.454 32.600 -0.318 0.000 1.547 126 M HN -0.184 nan 8.290 nan 0.000 0.455 127 S N 1.652 117.284 115.700 -0.113 0.000 2.480 127 S HA 0.447 4.917 4.470 -0.000 0.000 0.286 127 S C 0.915 175.464 174.600 -0.085 0.000 1.180 127 S CA -0.898 57.249 58.200 -0.088 0.000 1.075 127 S CB 0.675 63.839 63.200 -0.059 0.000 0.996 127 S HN 0.540 nan 8.310 nan 0.000 0.487 128 V N 1.759 121.626 119.914 -0.078 0.000 3.608 128 V HA 0.344 4.464 4.120 -0.000 0.000 0.269 128 V C 0.554 176.623 176.094 -0.042 0.000 1.245 128 V CA 0.063 62.326 62.300 -0.062 0.000 1.138 128 V CB -0.593 31.195 31.823 -0.059 0.000 0.841 128 V HN 0.728 nan 8.190 nan 0.000 0.451 129 E N 2.720 122.896 120.200 -0.039 0.000 2.406 129 E HA 0.156 4.506 4.350 -0.000 0.000 0.258 129 E C -0.306 176.279 176.600 -0.025 0.000 1.043 129 E CA 0.313 56.696 56.400 -0.028 0.000 0.929 129 E CB 0.543 30.229 29.700 -0.024 0.000 0.969 129 E HN 0.565 nan 8.360 nan 0.000 0.462 130 Q N 2.730 122.516 119.800 -0.023 0.000 2.331 130 Q HA 0.236 4.576 4.340 -0.000 0.000 0.257 130 Q C -0.385 175.605 176.000 -0.016 0.000 0.957 130 Q CA -0.007 55.783 55.803 -0.021 0.000 0.923 130 Q CB 1.239 29.963 28.738 -0.024 0.000 1.212 130 Q HN 0.427 nan 8.270 nan 0.000 0.443 131 E N 2.262 122.457 120.200 -0.009 0.000 2.272 131 E HA 0.382 4.732 4.350 -0.000 0.000 0.269 131 E C -0.630 175.977 176.600 0.013 0.000 0.877 131 E CA -0.682 55.719 56.400 0.003 0.000 0.755 131 E CB 2.700 32.407 29.700 0.013 0.000 1.192 131 E HN 0.508 nan 8.360 nan 0.000 0.422 132 I N 3.653 124.232 120.570 0.016 0.000 2.471 132 I HA 0.056 4.226 4.170 -0.000 0.000 0.286 132 I C -0.733 175.431 176.117 0.077 0.000 1.079 132 I CA -0.483 60.837 61.300 0.033 0.000 1.398 132 I CB 0.332 38.335 38.000 0.005 0.000 1.403 132 I HN 0.424 nan 8.210 nan 0.000 0.530 133 L N 9.407 130.674 121.223 0.073 0.000 2.312 133 L HA 0.278 4.618 4.340 -0.000 0.000 0.287 133 L C -0.532 176.383 176.870 0.075 0.000 1.091 133 L CA -0.085 54.779 54.840 0.040 0.000 0.846 133 L CB 0.767 42.805 42.059 -0.035 0.000 1.219 133 L HN 0.387 nan 8.230 nan 0.000 0.439 134 V N 4.922 124.970 119.914 0.223 0.000 2.479 134 V HA 0.068 4.188 4.120 -0.000 0.000 0.281 134 V C 1.548 177.734 176.094 0.152 0.000 1.031 134 V CA 0.731 63.147 62.300 0.194 0.000 1.038 134 V CB 0.553 32.489 31.823 0.189 0.000 0.981 134 V HN 0.957 nan 8.190 nan 0.000 0.478 135 T N 0.509 115.065 114.554 0.003 0.000 3.051 135 T HA 0.217 4.567 4.350 -0.000 0.000 0.255 135 T C 1.501 176.189 174.700 -0.020 0.000 1.085 135 T CA 0.742 62.809 62.100 -0.055 0.000 1.109 135 T CB 0.289 69.027 68.868 -0.216 0.000 0.921 135 T HN 1.484 nan 8.240 nan 0.000 0.488 136 G N 1.488 110.293 108.800 0.008 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 -0.017 174.901 174.900 0.031 0.000 0.976 136 G CA 0.205 45.318 45.100 0.021 0.000 0.655 136 G HN 0.670 nan 8.290 nan 0.000 0.533 137 I N 0.399 120.980 120.570 0.019 0.000 2.321 137 I HA 0.281 4.451 4.170 -0.000 0.000 0.291 137 I C 1.535 177.679 176.117 0.045 0.000 0.998 137 I CA -0.839 60.508 61.300 0.079 0.000 1.227 137 I CB 1.445 39.506 38.000 0.101 0.000 1.368 137 I HN -0.032 nan 8.210 nan 0.000 0.466 138 K N 3.741 124.173 120.400 0.052 0.000 2.032 138 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 138 K C 1.890 178.490 176.600 0.000 0.000 1.048 138 K CA 1.754 58.071 56.287 0.050 0.000 0.927 138 K CB -0.163 32.370 32.500 0.055 0.000 0.712 138 K HN 0.713 nan 8.250 nan 0.000 0.441 139 V N -1.124 118.795 119.914 0.008 0.000 2.332 139 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 139 V C 2.126 178.202 176.094 -0.031 0.000 1.055 139 V CA 1.626 63.911 62.300 -0.024 0.000 1.038 139 V CB -0.885 30.950 31.823 0.019 0.000 0.651 139 V HN 0.017 nan 8.190 nan 0.000 0.450 140 V N 0.770 120.671 119.914 -0.022 0.000 2.273 140 V HA -0.130 3.990 4.120 -0.000 0.000 0.242 140 V C 2.561 178.624 176.094 -0.052 0.000 1.035 140 V CA 2.246 64.508 62.300 -0.064 0.000 1.013 140 V CB -0.810 30.886 31.823 -0.212 0.000 0.652 140 V HN 0.456 nan 8.190 nan 0.000 0.452 141 D N 0.061 120.436 120.400 -0.042 0.000 2.123 141 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 141 D C 1.920 178.300 176.300 0.133 0.000 0.992 141 D CA 1.348 55.372 54.000 0.040 0.000 0.833 141 D CB -0.266 40.565 40.800 0.052 0.000 0.954 141 D HN 0.323 nan 8.370 nan 0.000 0.455 142 L N -0.235 120.986 121.223 -0.003 0.000 2.023 142 L HA -0.041 4.299 4.340 -0.000 0.000 0.205 142 L C 2.058 178.927 176.870 -0.001 0.000 1.073 142 L CA 1.465 56.228 54.840 -0.129 0.000 0.745 142 L CB -0.161 41.678 42.059 -0.367 0.000 0.900 142 L HN -0.012 nan 8.230 nan 0.000 0.435 143 L N -1.218 119.980 121.223 -0.042 0.000 2.316 143 L HA 0.301 4.641 4.340 -0.000 0.000 0.207 143 L C 0.952 177.848 176.870 0.044 0.000 1.070 143 L CA 0.513 55.338 54.840 -0.025 0.000 0.820 143 L CB -0.110 41.899 42.059 -0.084 0.000 0.992 143 L HN 0.233 nan 8.230 nan 0.000 0.466 144 A N 0.482 123.340 122.820 0.064 0.000 3.355 144 A HA 0.432 4.752 4.320 -0.000 0.000 0.290 144 A C -2.563 175.113 177.584 0.152 0.000 0.973 144 A CA -1.020 51.080 52.037 0.105 0.000 0.933 144 A CB -0.358 18.709 19.000 0.112 0.000 1.138 144 A HN -0.121 nan 8.150 nan 0.000 0.490 145 P HA 0.080 nan 4.420 nan 0.000 0.269 145 P C -0.856 176.602 177.300 0.264 0.000 1.209 145 P CA 0.377 63.550 63.100 0.122 0.000 0.776 145 P CB 0.549 32.286 31.700 0.062 0.000 0.876 146 Y N 0.465 120.774 120.300 0.015 0.000 2.309 146 Y HA 0.404 4.954 4.550 -0.000 0.000 0.327 146 Y C 1.045 176.932 175.900 -0.021 0.000 1.172 146 Y CA -1.435 56.661 58.100 -0.007 0.000 1.280 146 Y CB 0.214 38.661 38.460 -0.022 0.000 1.234 146 Y HN 0.383 nan 8.280 nan 0.000 0.512 147 A N 4.092 126.976 122.820 0.107 0.000 2.304 147 A HA 0.441 4.761 4.320 -0.000 0.000 0.323 147 A C -0.142 177.445 177.584 0.005 0.000 1.195 147 A CA -1.057 51.003 52.037 0.038 0.000 0.826 147 A CB 0.325 19.330 19.000 0.009 0.000 1.184 147 A HN 0.753 nan 8.150 nan 0.000 0.496 148 K N 1.003 121.403 120.400 -0.001 0.000 2.484 148 K HA 0.277 4.597 4.320 -0.000 0.000 0.280 148 K C 1.236 177.815 176.600 -0.036 0.000 1.013 148 K CA 1.324 57.595 56.287 -0.026 0.000 1.029 148 K CB 0.201 32.691 32.500 -0.017 0.000 0.902 148 K HN 1.474 nan 8.250 nan 0.000 0.481 149 G N 2.035 110.804 108.800 -0.052 0.000 2.184 149 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.264 149 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.264 149 G C 0.492 175.358 174.900 -0.057 0.000 0.975 149 G CA 0.076 45.145 45.100 -0.053 0.000 0.642 149 G HN 0.864 nan 8.290 nan 0.000 0.536 150 G N -0.751 108.009 108.800 -0.067 0.000 2.547 150 G HA2 0.625 4.585 3.960 -0.000 0.000 0.291 150 G HA3 0.625 4.585 3.960 -0.000 0.000 0.291 150 G C -0.423 174.409 174.900 -0.115 0.000 1.211 150 G CA -0.481 44.577 45.100 -0.071 0.000 0.950 150 G HN 0.343 nan 8.290 nan 0.000 0.504 151 K N -0.598 119.743 120.400 -0.098 0.000 2.292 151 K HA 0.569 4.889 4.320 -0.000 0.000 0.257 151 K C -0.943 175.572 176.600 -0.141 0.000 0.940 151 K CA -0.303 55.910 56.287 -0.124 0.000 0.811 151 K CB 2.122 34.587 32.500 -0.059 0.000 1.120 151 K HN 0.246 nan 8.250 nan 0.000 0.428 152 I N 1.547 121.982 120.570 -0.225 0.000 2.389 152 I HA 0.339 4.509 4.170 -0.000 0.000 0.288 152 I C 0.452 176.498 176.117 -0.117 0.000 0.999 152 I CA -0.432 60.728 61.300 -0.233 0.000 1.129 152 I CB 2.102 39.751 38.000 -0.584 0.000 1.288 152 I HN 0.636 nan 8.210 nan 0.000 0.444 153 G N 6.281 115.080 108.800 -0.002 0.000 2.351 153 G HA2 0.440 4.400 3.960 -0.000 0.000 0.287 153 G HA3 0.440 4.400 3.960 -0.000 0.000 0.287 153 G C -0.784 174.082 174.900 -0.057 0.000 1.159 153 G CA -0.309 44.763 45.100 -0.047 0.000 0.929 153 G HN 0.466 nan 8.290 nan 0.000 0.435 154 L N 3.884 125.010 121.223 -0.162 0.000 2.255 154 L HA 0.651 4.991 4.340 -0.000 0.000 0.289 154 L C -1.033 175.749 176.870 -0.147 0.000 1.046 154 L CA -0.861 53.969 54.840 -0.017 0.000 0.816 154 L CB -0.004 42.097 42.059 0.072 0.000 1.197 154 L HN 0.341 nan 8.230 nan 0.000 0.427 155 F N 3.353 123.369 119.950 0.111 0.000 2.483 155 F HA 0.862 5.389 4.527 -0.000 0.000 0.329 155 F C 0.959 176.818 175.800 0.097 0.000 1.064 155 F CA -0.020 58.039 58.000 0.098 0.000 0.986 155 F CB 1.887 40.929 39.000 0.070 0.000 1.218 155 F HN 0.693 nan 8.300 nan 0.000 0.484 156 G N 0.424 109.392 108.800 0.278 0.000 2.640 156 G HA2 0.354 4.314 3.960 -0.000 0.000 0.686 156 G HA3 0.354 4.314 3.960 -0.000 0.000 0.686 156 G C -0.156 174.839 174.900 0.159 0.000 1.229 156 G CA -0.674 44.540 45.100 0.190 0.000 0.796 156 G HN 1.080 nan 8.290 nan 0.000 0.654 157 G N 0.273 109.157 108.800 0.140 0.000 3.224 157 G HA2 0.830 4.790 3.960 -0.000 0.000 0.161 157 G HA3 0.830 4.790 3.960 -0.000 0.000 0.161 157 G C 0.809 175.777 174.900 0.114 0.000 1.872 157 G CA 1.088 46.268 45.100 0.133 0.000 1.012 157 G HN 2.156 nan 8.290 nan 0.000 0.504 158 A N -3.045 119.833 122.820 0.096 0.000 2.313 158 A HA 0.650 4.970 4.320 -0.000 0.000 0.323 158 A C 1.064 178.694 177.584 0.076 0.000 1.133 158 A CA 0.506 52.591 52.037 0.079 0.000 0.847 158 A CB 0.789 19.827 19.000 0.063 0.000 1.308 158 A HN 2.332 nan 8.150 nan 0.000 0.475 159 G N -1.544 107.295 108.800 0.065 0.000 2.162 159 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.260 159 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.260 159 G C 0.580 175.538 174.900 0.097 0.000 0.976 159 G CA 1.132 46.271 45.100 0.066 0.000 0.655 159 G HN 2.104 nan 8.290 nan 0.000 0.533 160 V N -2.821 117.159 119.914 0.110 0.000 3.214 160 V HA 0.676 4.796 4.120 -0.000 0.000 0.330 160 V C 1.598 177.788 176.094 0.160 0.000 1.403 160 V CA 0.487 62.876 62.300 0.149 0.000 1.143 160 V CB -0.090 31.816 31.823 0.140 0.000 1.098 160 V HN 2.100 nan 8.190 nan 0.000 0.463 161 G N 1.439 110.307 108.800 0.113 0.000 2.225 161 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.264 161 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.264 161 G C 0.804 175.778 174.900 0.123 0.000 1.060 161 G CA 0.838 45.996 45.100 0.096 0.000 0.833 161 G HN 0.638 nan 8.290 nan 0.000 0.498 162 K N -0.269 120.196 120.400 0.108 0.000 2.002 162 K HA -0.145 4.175 4.320 -0.000 0.000 0.209 162 K C 2.925 179.577 176.600 0.086 0.000 1.048 162 K CA 2.311 58.669 56.287 0.118 0.000 0.930 162 K CB -0.417 32.152 32.500 0.114 0.000 0.714 162 K HN 0.607 nan 8.250 nan 0.000 0.438 163 T N -1.295 113.282 114.554 0.038 0.000 2.788 163 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 163 T C 2.049 176.731 174.700 -0.030 0.000 1.044 163 T CA 1.309 63.396 62.100 -0.023 0.000 1.139 163 T CB -0.534 68.301 68.868 -0.055 0.000 0.867 163 T HN 0.019 nan 8.240 nan 0.000 0.454 164 V N 1.441 121.366 119.914 0.019 0.000 2.358 164 V HA -0.044 4.076 4.120 -0.000 0.000 0.246 164 V C 2.564 178.724 176.094 0.109 0.000 1.047 164 V CA 1.558 63.896 62.300 0.064 0.000 1.035 164 V CB -0.771 31.116 31.823 0.108 0.000 0.658 164 V HN 0.426 nan 8.190 nan 0.000 0.452 165 L N 0.004 121.332 121.223 0.176 0.000 2.012 165 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 165 L C 2.163 179.060 176.870 0.046 0.000 1.073 165 L CA 1.975 56.923 54.840 0.179 0.000 0.748 165 L CB -0.512 41.699 42.059 0.254 0.000 0.891 165 L HN 0.220 nan 8.230 nan 0.000 0.431 166 I N -1.086 119.491 120.570 0.012 0.000 2.163 166 I HA -0.370 3.800 4.170 -0.000 0.000 0.243 166 I C 2.503 178.479 176.117 -0.234 0.000 1.085 166 I CA 1.899 63.100 61.300 -0.165 0.000 1.347 166 I CB -0.270 37.534 38.000 -0.327 0.000 1.044 166 I HN 0.324 nan 8.210 nan 0.000 0.408 167 M N -0.389 119.101 119.600 -0.183 0.000 2.175 167 M HA -0.217 4.263 4.480 -0.000 0.000 0.264 167 M C 2.235 178.450 176.300 -0.141 0.000 1.063 167 M CA 1.590 56.794 55.300 -0.160 0.000 1.119 167 M CB -0.382 32.142 32.600 -0.127 0.000 1.377 167 M HN 0.126 nan 8.290 nan 0.000 0.415 168 E N 0.958 121.031 120.200 -0.211 0.000 2.106 168 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 168 E C 1.807 178.265 176.600 -0.236 0.000 0.984 168 E CA 1.021 57.204 56.400 -0.362 0.000 0.806 168 E CB -0.219 28.898 29.700 -0.972 0.000 0.750 168 E HN 0.435 nan 8.360 nan 0.000 0.458 169 L N 0.034 121.195 121.223 -0.104 0.000 2.017 169 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 169 L C 2.424 179.361 176.870 0.111 0.000 1.073 169 L CA 1.285 56.165 54.840 0.066 0.000 0.745 169 L CB -0.450 41.801 42.059 0.320 0.000 0.894 169 L HN 0.228 nan 8.230 nan 0.000 0.432 170 I N -0.040 120.612 120.570 0.136 0.000 2.163 170 I HA -0.359 3.811 4.170 -0.000 0.000 0.243 170 I C 2.299 178.440 176.117 0.040 0.000 1.085 170 I CA 1.934 63.308 61.300 0.124 0.000 1.347 170 I CB -0.483 37.560 38.000 0.070 0.000 1.044 170 I HN 0.370 nan 8.210 nan 0.000 0.408 171 N N 0.918 119.610 118.700 -0.015 0.000 2.069 171 N HA -0.211 4.529 4.740 -0.000 0.000 0.191 171 N C 1.661 177.157 175.510 -0.025 0.000 1.031 171 N CA 1.750 54.782 53.050 -0.029 0.000 0.852 171 N CB 0.004 38.454 38.487 -0.063 0.000 1.018 171 N HN 0.210 nan 8.380 nan 0.000 0.423 172 N N -0.282 118.395 118.700 -0.039 0.000 2.171 172 N HA -0.068 4.672 4.740 -0.000 0.000 0.184 172 N C 1.659 177.185 175.510 0.027 0.000 1.021 172 N CA 0.808 53.846 53.050 -0.020 0.000 0.854 172 N CB -0.527 37.930 38.487 -0.050 0.000 0.994 172 N HN 0.083 nan 8.380 nan 0.000 0.426 173 V N 1.291 121.217 119.914 0.020 0.000 2.407 173 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 173 V C 2.277 178.372 176.094 0.001 0.000 1.055 173 V CA 1.773 64.076 62.300 0.006 0.000 1.049 173 V CB -0.928 30.858 31.823 -0.061 0.000 0.662 173 V HN 0.308 nan 8.190 nan 0.000 0.455 174 A N -0.647 122.155 122.820 -0.029 0.000 1.930 174 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 174 A C 2.328 179.880 177.584 -0.053 0.000 1.175 174 A CA 1.950 53.936 52.037 -0.085 0.000 0.627 174 A CB -0.339 18.633 19.000 -0.046 0.000 0.815 174 A HN 0.507 nan 8.150 nan 0.000 0.443 175 K N -0.664 119.728 120.400 -0.013 0.000 2.044 175 K HA 0.087 4.407 4.320 -0.000 0.000 0.204 175 K C 2.192 178.787 176.600 -0.008 0.000 1.049 175 K CA 0.953 57.234 56.287 -0.011 0.000 0.945 175 K CB -0.208 32.288 32.500 -0.007 0.000 0.724 175 K HN 0.364 nan 8.250 nan 0.000 0.440 176 A N 0.296 123.132 122.820 0.026 0.000 1.855 176 A HA -0.090 4.229 4.320 -0.000 0.000 0.213 176 A C 1.811 179.347 177.584 -0.079 0.000 1.195 176 A CA 1.116 53.147 52.037 -0.010 0.000 0.610 176 A CB -0.565 18.460 19.000 0.042 0.000 0.837 176 A HN 0.342 nan 8.150 nan 0.000 0.444 177 H N -2.069 116.963 119.070 -0.062 0.000 2.439 177 H HA 0.244 4.800 4.556 -0.000 0.000 0.299 177 H C 1.492 176.757 175.328 -0.105 0.000 1.033 177 H CA 0.712 56.717 56.048 -0.071 0.000 1.348 177 H CB 0.371 30.093 29.762 -0.067 0.000 1.449 177 H HN 0.663 nan 8.280 nan 0.000 0.544 178 G N 0.820 109.608 108.800 -0.021 0.000 2.141 178 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.195 178 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.195 178 G C 0.379 175.076 174.900 -0.338 0.000 1.012 178 G CA 0.058 45.055 45.100 -0.172 0.000 0.696 178 G HN 0.688 nan 8.290 nan 0.000 0.508 179 G N -0.780 107.847 108.800 -0.288 0.000 2.388 179 G HA2 0.671 4.631 3.960 -0.000 0.000 0.330 179 G HA3 0.671 4.631 3.960 -0.000 0.000 0.330 179 G C -0.259 174.395 174.900 -0.410 0.000 1.142 179 G CA -0.893 43.999 45.100 -0.347 0.000 0.908 179 G HN 0.258 nan 8.290 nan 0.000 0.473 180 Y N 0.242 120.409 120.300 -0.222 0.000 2.408 180 Y HA 0.562 5.112 4.550 -0.000 0.000 0.324 180 Y C 1.065 176.863 175.900 -0.169 0.000 1.302 180 Y CA -0.308 57.618 58.100 -0.290 0.000 1.384 180 Y CB 1.734 39.794 38.460 -0.667 0.000 1.367 180 Y HN 0.426 nan 8.280 nan 0.000 0.525 181 S N 0.069 115.838 115.700 0.115 0.000 2.600 181 S HA 0.711 5.181 4.470 -0.000 0.000 0.300 181 S C -1.380 173.344 174.600 0.206 0.000 1.087 181 S CA -0.812 57.498 58.200 0.183 0.000 0.965 181 S CB 1.970 65.365 63.200 0.326 0.000 1.089 181 S HN 0.293 nan 8.310 nan 0.000 0.496 182 V N 2.393 122.464 119.914 0.263 0.000 2.577 182 V HA 0.489 4.609 4.120 -0.000 0.000 0.303 182 V C -1.365 174.946 176.094 0.360 0.000 1.042 182 V CA -0.644 61.813 62.300 0.261 0.000 0.872 182 V CB 1.433 33.375 31.823 0.197 0.000 0.998 182 V HN 0.852 nan 8.190 nan 0.000 0.423 183 F N 4.350 124.417 119.950 0.195 0.000 2.388 183 F HA 0.772 5.299 4.527 -0.000 0.000 0.358 183 F C 0.347 176.248 175.800 0.168 0.000 1.122 183 F CA -0.495 57.631 58.000 0.210 0.000 1.056 183 F CB 1.098 40.177 39.000 0.132 0.000 1.155 183 F HN 0.560 nan 8.300 nan 0.000 0.461 184 A N 4.806 127.458 122.820 -0.280 0.000 2.256 184 A HA 0.589 4.909 4.320 -0.000 0.000 0.317 184 A C 0.176 177.570 177.584 -0.316 0.000 1.318 184 A CA -0.350 51.598 52.037 -0.149 0.000 0.894 184 A CB 0.070 19.006 19.000 -0.106 0.000 1.165 184 A HN 1.004 nan 8.150 nan 0.000 0.525 185 G N 1.820 110.665 108.800 0.074 0.000 2.448 185 G HA2 0.466 4.426 3.960 -0.000 0.000 0.309 185 G HA3 0.466 4.426 3.960 -0.000 0.000 0.309 185 G C -0.359 174.572 174.900 0.052 0.000 1.027 185 G CA -0.111 45.056 45.100 0.111 0.000 1.104 185 G HN 0.640 nan 8.290 nan 0.000 0.428 186 V N 2.785 122.697 119.914 -0.002 0.000 2.334 186 V HA 0.568 4.688 4.120 -0.000 0.000 0.267 186 V C 1.195 177.301 176.094 0.020 0.000 1.040 186 V CA 0.509 62.825 62.300 0.026 0.000 0.866 186 V CB 0.568 32.419 31.823 0.047 0.000 1.019 186 V HN 1.282 nan 8.190 nan 0.000 0.468 187 G N 3.900 112.706 108.800 0.011 0.000 2.256 187 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.272 187 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.272 187 G C -0.051 174.837 174.900 -0.020 0.000 1.076 187 G CA 0.264 45.361 45.100 -0.005 0.000 0.882 187 G HN 0.854 nan 8.290 nan 0.000 0.497 188 E N 0.257 120.429 120.200 -0.048 0.000 2.366 188 E HA 0.389 4.739 4.350 -0.000 0.000 0.266 188 E C 1.094 177.630 176.600 -0.108 0.000 1.015 188 E CA -0.293 56.038 56.400 -0.115 0.000 0.906 188 E CB 0.303 29.822 29.700 -0.301 0.000 0.979 188 E HN 0.492 nan 8.360 nan 0.000 0.443 189 R N 3.517 123.966 120.500 -0.085 0.000 2.401 189 R HA 0.076 4.416 4.340 -0.000 0.000 0.299 189 R C 0.993 177.238 176.300 -0.090 0.000 1.064 189 R CA 0.196 56.257 56.100 -0.064 0.000 1.000 189 R CB 0.482 30.760 30.300 -0.038 0.000 0.973 189 R HN 0.653 nan 8.270 nan 0.000 0.438 190 T N 2.168 116.684 114.554 -0.064 0.000 2.759 190 T HA -0.208 4.142 4.350 -0.000 0.000 0.269 190 T C 1.751 176.436 174.700 -0.026 0.000 1.042 190 T CA 1.329 63.398 62.100 -0.051 0.000 1.140 190 T CB -0.128 68.732 68.868 -0.014 0.000 0.864 190 T HN 0.538 nan 8.240 nan 0.000 0.455 191 R N 1.071 121.561 120.500 -0.016 0.000 2.081 191 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 191 R C 2.157 178.459 176.300 0.002 0.000 1.131 191 R CA 1.588 57.689 56.100 0.003 0.000 0.960 191 R CB -0.088 30.212 30.300 0.000 0.000 0.856 191 R HN 0.483 nan 8.270 nan 0.000 0.436 192 E N -1.035 119.150 120.200 -0.025 0.000 2.216 192 E HA -0.054 4.295 4.350 -0.000 0.000 0.192 192 E C 1.805 178.372 176.600 -0.055 0.000 0.988 192 E CA 0.736 57.119 56.400 -0.029 0.000 0.834 192 E CB 0.003 29.686 29.700 -0.030 0.000 0.772 192 E HN 0.570 nan 8.360 nan 0.000 0.479 193 G N 1.505 110.225 108.800 -0.133 0.000 2.408 193 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.217 193 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.217 193 G C 1.430 176.407 174.900 0.127 0.000 1.150 193 G CA 1.012 45.974 45.100 -0.230 0.000 0.776 193 G HN 0.196 nan 8.290 nan 0.000 0.542 194 N N 0.552 119.331 118.700 0.132 0.000 2.106 194 N HA -0.088 4.652 4.740 -0.000 0.000 0.188 194 N C 1.721 177.420 175.510 0.314 0.000 1.029 194 N CA 1.537 54.742 53.050 0.259 0.000 0.848 194 N CB -0.095 38.515 38.487 0.205 0.000 1.007 194 N HN 0.097 nan 8.380 nan 0.000 0.423 195 D N 0.231 120.728 120.400 0.161 0.000 2.092 195 D HA -0.165 4.475 4.640 -0.000 0.000 0.193 195 D C 1.939 178.291 176.300 0.086 0.000 0.994 195 D CA 0.761 54.826 54.000 0.109 0.000 0.828 195 D CB -0.589 40.230 40.800 0.032 0.000 0.963 195 D HN 0.269 nan 8.370 nan 0.000 0.450 196 L N 0.029 121.279 121.223 0.045 0.000 2.012 196 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 196 L C 2.295 179.167 176.870 0.004 0.000 1.073 196 L CA 1.559 56.379 54.840 -0.033 0.000 0.748 196 L CB -0.847 41.135 42.059 -0.129 0.000 0.891 196 L HN 0.041 nan 8.230 nan 0.000 0.431 197 Y N -0.040 120.228 120.300 -0.052 0.000 2.128 197 Y HA -0.310 4.240 4.550 -0.000 0.000 0.284 197 Y C 2.532 178.305 175.900 -0.211 0.000 1.154 197 Y CA 2.401 60.412 58.100 -0.148 0.000 1.149 197 Y CB -0.601 37.760 38.460 -0.165 0.000 0.976 197 Y HN 0.462 nan 8.280 nan 0.000 0.505 198 H N -0.772 118.234 119.070 -0.106 0.000 2.470 198 H HA -0.012 4.544 4.556 -0.000 0.000 0.289 198 H C 2.043 177.276 175.328 -0.159 0.000 1.033 198 H CA 1.366 57.295 56.048 -0.198 0.000 1.331 198 H CB 0.071 29.785 29.762 -0.081 0.000 1.414 198 H HN 0.448 nan 8.280 nan 0.000 0.545 199 E N 0.186 120.373 120.200 -0.022 0.000 2.106 199 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 199 E C 1.819 178.358 176.600 -0.103 0.000 0.984 199 E CA 0.931 57.293 56.400 -0.064 0.000 0.806 199 E CB 0.028 29.683 29.700 -0.074 0.000 0.750 199 E HN 0.462 nan 8.360 nan 0.000 0.458 200 M N 0.134 119.650 119.600 -0.140 0.000 2.175 200 M HA -0.140 4.340 4.480 -0.000 0.000 0.264 200 M C 2.160 178.362 176.300 -0.162 0.000 1.063 200 M CA 1.222 56.431 55.300 -0.152 0.000 1.119 200 M CB -0.144 32.359 32.600 -0.161 0.000 1.377 200 M HN 0.133 nan 8.290 nan 0.000 0.415 201 I N -0.220 120.211 120.570 -0.232 0.000 2.226 201 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 201 I C 2.440 178.487 176.117 -0.116 0.000 1.100 201 I CA 1.036 62.207 61.300 -0.216 0.000 1.374 201 I CB -0.379 37.429 38.000 -0.319 0.000 1.057 201 I HN 0.228 nan 8.210 nan 0.000 0.413 202 E N 0.620 120.768 120.200 -0.087 0.000 2.106 202 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 202 E C 2.385 178.964 176.600 -0.035 0.000 0.984 202 E CA 1.690 58.063 56.400 -0.045 0.000 0.806 202 E CB -0.254 29.429 29.700 -0.028 0.000 0.750 202 E HN 0.534 nan 8.360 nan 0.000 0.458 203 S N -1.254 114.417 115.700 -0.048 0.000 2.461 203 S HA 0.087 4.557 4.470 -0.000 0.000 0.228 203 S C 1.691 176.271 174.600 -0.034 0.000 1.005 203 S CA 0.979 59.158 58.200 -0.035 0.000 0.942 203 S CB 0.262 63.434 63.200 -0.048 0.000 0.776 203 S HN 0.310 nan 8.310 nan 0.000 0.514 204 G N 0.508 109.279 108.800 -0.049 0.000 2.176 204 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.232 204 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.232 204 G C 0.864 175.740 174.900 -0.041 0.000 0.986 204 G CA 0.466 45.541 45.100 -0.041 0.000 0.643 204 G HN 1.339 nan 8.290 nan 0.000 0.522 205 V N -1.448 118.436 119.914 -0.051 0.000 2.809 205 V HA 0.427 4.547 4.120 -0.000 0.000 0.256 205 V C 1.273 177.339 176.094 -0.046 0.000 1.080 205 V CA 1.278 63.553 62.300 -0.041 0.000 1.102 205 V CB -0.236 31.558 31.823 -0.048 0.000 0.705 205 V HN 0.460 nan 8.190 nan 0.000 0.475 206 I N 1.964 122.489 120.570 -0.076 0.000 2.406 206 I HA 0.446 4.616 4.170 -0.000 0.000 0.290 206 I C -0.573 175.492 176.117 -0.087 0.000 0.999 206 I CA -0.223 61.027 61.300 -0.083 0.000 1.124 206 I CB 1.576 39.504 38.000 -0.120 0.000 1.289 206 I HN 0.125 nan 8.210 nan 0.000 0.441 207 N N 6.833 125.496 118.700 -0.061 0.000 2.443 207 N HA 0.357 5.097 4.740 -0.000 0.000 0.269 207 N C 0.219 175.702 175.510 -0.045 0.000 0.985 207 N CA -0.393 52.625 53.050 -0.052 0.000 0.921 207 N CB 1.971 40.439 38.487 -0.032 0.000 1.195 207 N HN 0.604 nan 8.380 nan 0.000 0.492 208 L N 2.752 123.944 121.223 -0.050 0.000 2.554 208 L HA 0.111 4.451 4.340 -0.000 0.000 0.226 208 L C 1.708 178.568 176.870 -0.017 0.000 1.137 208 L CA 0.648 55.470 54.840 -0.031 0.000 0.863 208 L CB 0.157 42.194 42.059 -0.035 0.000 0.985 208 L HN 0.396 nan 8.230 nan 0.000 0.451 209 K N -0.458 119.930 120.400 -0.019 0.000 2.348 209 K HA 0.055 4.375 4.320 -0.000 0.000 0.194 209 K C -0.064 176.530 176.600 -0.010 0.000 1.052 209 K CA 0.312 56.592 56.287 -0.012 0.000 1.004 209 K CB 0.469 32.962 32.500 -0.011 0.000 0.873 209 K HN 0.346 nan 8.250 nan 0.000 0.523 210 D N -1.584 118.809 120.400 -0.012 0.000 2.837 210 D HA 0.256 4.895 4.640 -0.000 0.000 0.294 210 D C -0.546 175.745 176.300 -0.014 0.000 1.158 210 D CA -0.866 53.128 54.000 -0.010 0.000 1.073 210 D CB 0.557 41.354 40.800 -0.005 0.000 1.419 210 D HN -0.148 nan 8.370 nan 0.000 0.584 211 A N -0.710 122.103 122.820 -0.012 0.000 2.532 211 A HA 0.314 4.634 4.320 -0.000 0.000 0.273 211 A C 1.033 178.605 177.584 -0.020 0.000 1.342 211 A CA 0.389 52.413 52.037 -0.021 0.000 0.929 211 A CB -1.084 17.907 19.000 -0.016 0.000 1.051 211 A HN 0.570 nan 8.150 nan 0.000 0.521 212 T N -2.817 111.732 114.554 -0.009 0.000 3.144 212 T HA 0.172 4.522 4.350 -0.000 0.000 0.249 212 T C 0.631 175.335 174.700 0.007 0.000 1.089 212 T CA 0.169 62.277 62.100 0.013 0.000 0.989 212 T CB -0.383 68.496 68.868 0.019 0.000 0.992 212 T HN 0.151 nan 8.240 nan 0.000 0.540 213 S N 1.677 117.358 115.700 -0.032 0.000 2.560 213 S HA 0.200 4.670 4.470 -0.000 0.000 0.284 213 S C 0.981 175.557 174.600 -0.040 0.000 1.327 213 S CA -0.376 57.800 58.200 -0.039 0.000 1.055 213 S CB 0.981 64.147 63.200 -0.055 0.000 0.868 213 S HN 0.483 nan 8.310 nan 0.000 0.506 214 K N 0.651 121.059 120.400 0.014 0.000 2.367 214 K HA 0.177 4.497 4.320 -0.000 0.000 0.195 214 K C -0.300 176.345 176.600 0.075 0.000 1.060 214 K CA 0.224 56.575 56.287 0.108 0.000 1.022 214 K CB 0.545 33.110 32.500 0.108 0.000 0.894 214 K HN 0.478 nan 8.250 nan 0.000 0.540 215 V N -0.007 119.920 119.914 0.022 0.000 2.680 215 V HA 0.695 4.815 4.120 -0.000 0.000 0.309 215 V C -0.662 175.450 176.094 0.030 0.000 1.052 215 V CA -1.530 60.801 62.300 0.052 0.000 0.908 215 V CB 1.613 33.474 31.823 0.063 0.000 1.001 215 V HN -0.000 nan 8.190 nan 0.000 0.431 216 A N 4.516 127.382 122.820 0.076 0.000 2.292 216 A HA 0.854 5.174 4.320 -0.000 0.000 0.319 216 A C -0.611 177.021 177.584 0.081 0.000 1.206 216 A CA -0.586 51.490 52.037 0.066 0.000 0.835 216 A CB 0.645 19.711 19.000 0.111 0.000 1.164 216 A HN 0.871 nan 8.150 nan 0.000 0.505 217 L N 2.810 124.027 121.223 -0.009 0.000 2.295 217 L HA 0.574 4.914 4.340 -0.000 0.000 0.285 217 L C -0.870 175.927 176.870 -0.121 0.000 1.035 217 L CA -0.804 53.997 54.840 -0.065 0.000 0.806 217 L CB 1.666 43.533 42.059 -0.320 0.000 1.214 217 L HN 0.415 nan 8.230 nan 0.000 0.426 218 V N 3.542 123.465 119.914 0.014 0.000 2.443 218 V HA 0.384 4.504 4.120 -0.000 0.000 0.293 218 V C -0.814 175.427 176.094 0.245 0.000 1.021 218 V CA -0.544 61.784 62.300 0.046 0.000 0.848 218 V CB 1.420 33.283 31.823 0.066 0.000 0.998 218 V HN 0.501 nan 8.190 nan 0.000 0.424 219 Y N 2.068 122.406 120.300 0.063 0.000 2.335 219 Y HA 0.651 5.201 4.550 -0.000 0.000 0.338 219 Y C 0.811 176.733 175.900 0.037 0.000 0.977 219 Y CA -1.018 57.121 58.100 0.064 0.000 1.114 219 Y CB 2.511 40.998 38.460 0.044 0.000 1.182 219 Y HN 0.705 nan 8.280 nan 0.000 0.463 220 G N 4.365 113.273 108.800 0.181 0.000 2.955 220 G HA2 0.346 4.306 3.960 -0.000 0.000 0.336 220 G HA3 0.346 4.306 3.960 -0.000 0.000 0.336 220 G C -0.943 173.983 174.900 0.044 0.000 1.264 220 G CA -0.474 44.681 45.100 0.091 0.000 1.096 220 G HN 0.607 nan 8.290 nan 0.000 0.486 221 Q N 1.477 121.297 119.800 0.033 0.000 2.368 221 Q HA 0.255 4.595 4.340 -0.000 0.000 0.237 221 Q C 1.513 177.508 176.000 -0.008 0.000 0.987 221 Q CA -0.408 55.389 55.803 -0.009 0.000 0.896 221 Q CB 1.628 30.362 28.738 -0.006 0.000 1.241 221 Q HN 0.522 nan 8.270 nan 0.000 0.485 222 M N 1.240 120.828 119.600 -0.020 0.000 2.213 222 M HA -0.198 4.281 4.480 -0.000 0.000 0.263 222 M C 1.331 177.625 176.300 -0.011 0.000 1.062 222 M CA 1.720 57.010 55.300 -0.016 0.000 1.105 222 M CB -0.381 32.207 32.600 -0.020 0.000 1.385 222 M HN 0.711 nan 8.290 nan 0.000 0.417 223 N N -0.271 118.425 118.700 -0.007 0.000 2.449 223 N HA -0.000 4.740 4.740 -0.000 0.000 0.191 223 N C -0.327 175.182 175.510 -0.001 0.000 1.161 223 N CA -0.100 52.948 53.050 -0.004 0.000 0.863 223 N CB 0.109 38.594 38.487 -0.002 0.000 0.980 223 N HN 0.362 nan 8.380 nan 0.000 0.458 224 E N 1.416 121.617 120.200 0.001 0.000 2.283 224 E HA 0.269 4.619 4.350 -0.000 0.000 0.271 224 E C -2.221 174.378 176.600 -0.001 0.000 1.031 224 E CA -2.428 53.975 56.400 0.005 0.000 0.868 224 E CB 0.881 30.589 29.700 0.013 0.000 1.094 224 E HN 0.180 nan 8.360 nan 0.000 0.401 225 P HA -0.020 nan 4.420 nan 0.000 0.269 225 P C -2.226 175.067 177.300 -0.011 0.000 1.217 225 P CA -1.067 62.029 63.100 -0.006 0.000 0.783 225 P CB -0.043 31.656 31.700 -0.001 0.000 0.898 226 P HA -0.205 nan 4.420 nan 0.000 0.216 226 P C 1.699 178.981 177.300 -0.030 0.000 1.157 226 P CA 2.308 65.387 63.100 -0.035 0.000 0.880 226 P CB -0.604 31.072 31.700 -0.040 0.000 0.791 227 G N -0.083 108.707 108.800 -0.015 0.000 2.469 227 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.219 227 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.219 227 G C 1.665 176.571 174.900 0.009 0.000 1.150 227 G CA 1.203 46.303 45.100 -0.002 0.000 0.763 227 G HN 0.375 nan 8.290 nan 0.000 0.561 228 A N 0.679 123.506 122.820 0.011 0.000 1.873 228 A HA 0.038 4.358 4.320 -0.000 0.000 0.215 228 A C 2.448 180.046 177.584 0.022 0.000 1.186 228 A CA 1.644 53.694 52.037 0.021 0.000 0.616 228 A CB -0.385 18.628 19.000 0.021 0.000 0.823 228 A HN 0.341 nan 8.150 nan 0.000 0.442 229 R N -0.488 120.017 120.500 0.009 0.000 2.148 229 R HA -0.005 4.334 4.340 -0.000 0.000 0.227 229 R C 2.287 178.594 176.300 0.010 0.000 1.103 229 R CA 1.019 57.124 56.100 0.009 0.000 0.983 229 R CB -0.351 29.941 30.300 -0.012 0.000 0.874 229 R HN 0.523 nan 8.270 nan 0.000 0.451 230 A N 0.660 123.467 122.820 -0.023 0.000 1.968 230 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 230 A C 1.762 179.370 177.584 0.040 0.000 1.169 230 A CA 0.969 52.968 52.037 -0.063 0.000 0.638 230 A CB 0.025 18.961 19.000 -0.108 0.000 0.812 230 A HN 0.046 nan 8.150 nan 0.000 0.446 231 R N -0.979 119.550 120.500 0.048 0.000 2.290 231 R HA 0.132 4.472 4.340 -0.000 0.000 0.197 231 R C 1.778 178.101 176.300 0.038 0.000 0.913 231 R CA 0.717 56.844 56.100 0.045 0.000 1.040 231 R CB -1.220 29.101 30.300 0.035 0.000 0.992 231 R HN 0.378 nan 8.270 nan 0.000 0.500 232 V N 1.435 121.383 119.914 0.058 0.000 2.490 232 V HA -0.178 3.942 4.120 -0.000 0.000 0.250 232 V C 2.136 178.249 176.094 0.031 0.000 1.061 232 V CA 1.887 64.215 62.300 0.047 0.000 1.064 232 V CB -0.376 31.485 31.823 0.063 0.000 0.670 232 V HN 0.298 nan 8.190 nan 0.000 0.461 233 A N -0.315 122.534 122.820 0.048 0.000 1.933 233 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 233 A C 2.119 179.663 177.584 -0.068 0.000 1.175 233 A CA 1.963 53.977 52.037 -0.039 0.000 0.628 233 A CB -0.481 18.444 19.000 -0.126 0.000 0.814 233 A HN 0.568 nan 8.150 nan 0.000 0.444 234 L N -0.801 120.398 121.223 -0.041 0.000 2.093 234 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 234 L C 2.759 179.583 176.870 -0.076 0.000 1.085 234 L CA 1.752 56.538 54.840 -0.090 0.000 0.755 234 L CB -1.263 40.693 42.059 -0.172 0.000 0.904 234 L HN 0.350 nan 8.230 nan 0.000 0.435 235 T N 0.016 114.540 114.554 -0.049 0.000 2.684 235 T HA -0.150 4.199 4.350 -0.000 0.000 0.267 235 T C 1.892 176.586 174.700 -0.010 0.000 1.036 235 T CA 1.495 63.581 62.100 -0.023 0.000 1.148 235 T CB -0.663 68.205 68.868 -0.000 0.000 0.863 235 T HN 0.554 nan 8.240 nan 0.000 0.436 236 G N 1.447 110.243 108.800 -0.006 0.000 2.440 236 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.218 236 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.218 236 G C 1.503 176.405 174.900 0.004 0.000 1.154 236 G CA 0.612 45.717 45.100 0.008 0.000 0.767 236 G HN 0.355 nan 8.290 nan 0.000 0.552 237 L N 1.158 122.362 121.223 -0.032 0.000 2.042 237 L HA -0.039 4.301 4.340 -0.000 0.000 0.210 237 L C 2.960 179.825 176.870 -0.008 0.000 1.076 237 L CA 2.381 57.200 54.840 -0.036 0.000 0.749 237 L CB -1.026 40.990 42.059 -0.072 0.000 0.893 237 L HN 0.211 nan 8.230 nan 0.000 0.432 238 T N -1.537 113.009 114.554 -0.013 0.000 2.821 238 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 238 T C 2.007 176.712 174.700 0.008 0.000 1.046 238 T CA 1.374 63.472 62.100 -0.003 0.000 1.139 238 T CB -0.279 68.581 68.868 -0.013 0.000 0.871 238 T HN 0.178 nan 8.240 nan 0.000 0.454 239 V N 1.792 121.712 119.914 0.011 0.000 2.343 239 V HA -0.158 3.962 4.120 -0.000 0.000 0.247 239 V C 2.900 179.053 176.094 0.098 0.000 1.051 239 V CA 1.693 63.999 62.300 0.010 0.000 1.036 239 V CB -1.195 30.658 31.823 0.050 0.000 0.654 239 V HN 0.524 nan 8.190 nan 0.000 0.451 240 A N -0.406 122.507 122.820 0.154 0.000 1.930 240 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 240 A C 2.164 179.853 177.584 0.175 0.000 1.175 240 A CA 1.712 53.890 52.037 0.234 0.000 0.627 240 A CB -0.477 18.602 19.000 0.130 0.000 0.815 240 A HN 0.605 nan 8.150 nan 0.000 0.443 241 E N -1.640 118.610 120.200 0.082 0.000 2.160 241 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 241 E C 1.736 178.351 176.600 0.025 0.000 0.991 241 E CA 1.400 57.826 56.400 0.043 0.000 0.810 241 E CB -0.305 29.406 29.700 0.019 0.000 0.742 241 E HN 0.824 nan 8.360 nan 0.000 0.466 242 Y N 0.211 120.436 120.300 -0.126 0.000 2.145 242 Y HA -0.250 4.300 4.550 -0.000 0.000 0.286 242 Y C 1.714 177.500 175.900 -0.189 0.000 1.145 242 Y CA 1.664 59.626 58.100 -0.231 0.000 1.148 242 Y CB -0.300 37.900 38.460 -0.433 0.000 0.981 242 Y HN -0.034 nan 8.280 nan 0.000 0.507 243 F N -0.149 119.880 119.950 0.131 0.000 2.234 243 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 243 F C 2.724 178.504 175.800 -0.033 0.000 1.087 243 F CA 1.392 59.439 58.000 0.078 0.000 1.340 243 F CB -0.313 38.812 39.000 0.208 0.000 1.031 243 F HN -0.046 nan 8.300 nan 0.000 0.500 244 R N 0.668 121.242 120.500 0.123 0.000 2.051 244 R HA -0.113 4.227 4.340 -0.000 0.000 0.225 244 R C 1.476 177.751 176.300 -0.042 0.000 1.155 244 R CA 1.861 57.983 56.100 0.037 0.000 0.945 244 R CB -0.306 30.012 30.300 0.030 0.000 0.840 244 R HN 0.080 nan 8.270 nan 0.000 0.432 245 D N 0.010 120.362 120.400 -0.081 0.000 2.347 245 D HA -0.062 4.578 4.640 -0.000 0.000 0.215 245 D C 1.465 177.665 176.300 -0.167 0.000 0.976 245 D CA 0.753 54.693 54.000 -0.099 0.000 0.884 245 D CB 0.369 41.127 40.800 -0.071 0.000 0.915 245 D HN 0.307 nan 8.370 nan 0.000 0.526 246 Q N -0.353 119.259 119.800 -0.313 0.000 2.322 246 Q HA 0.146 4.486 4.340 -0.000 0.000 0.250 246 Q C 0.824 176.634 176.000 -0.318 0.000 0.853 246 Q CA 0.287 55.840 55.803 -0.417 0.000 0.951 246 Q CB 1.075 29.294 28.738 -0.866 0.000 1.114 246 Q HN 0.355 nan 8.270 nan 0.000 0.523 247 E N -0.284 119.775 120.200 -0.235 0.000 2.630 247 E HA 0.197 4.546 4.350 -0.000 0.000 0.218 247 E C 0.236 176.836 176.600 -0.001 0.000 0.977 247 E CA 0.146 56.509 56.400 -0.061 0.000 1.038 247 E CB 1.193 30.938 29.700 0.076 0.000 1.051 247 E HN 0.360 nan 8.360 nan 0.000 0.487 248 G N 2.541 111.326 108.800 -0.024 0.000 2.225 248 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.267 248 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.267 248 G C 0.109 175.015 174.900 0.010 0.000 1.024 248 G CA 0.576 45.671 45.100 -0.009 0.000 0.784 248 G HN 0.244 nan 8.290 nan 0.000 0.507 249 Q N -0.281 119.540 119.800 0.035 0.000 2.256 249 Q HA 0.390 4.730 4.340 -0.000 0.000 0.232 249 Q C -0.633 175.373 176.000 0.010 0.000 0.965 249 Q CA -0.621 55.198 55.803 0.026 0.000 0.908 249 Q CB 0.875 29.649 28.738 0.059 0.000 1.209 249 Q HN 0.241 nan 8.270 nan 0.000 0.489 250 D N 1.715 122.103 120.400 -0.019 0.000 2.428 250 D HA 0.207 4.847 4.640 -0.000 0.000 0.221 250 D C -0.802 175.456 176.300 -0.069 0.000 1.123 250 D CA -0.023 53.950 54.000 -0.046 0.000 0.869 250 D CB 0.940 41.701 40.800 -0.065 0.000 1.032 250 D HN 0.108 nan 8.370 nan 0.000 0.506 251 V N 2.613 122.507 119.914 -0.033 0.000 2.617 251 V HA 0.348 4.468 4.120 -0.000 0.000 0.298 251 V C 0.587 176.644 176.094 -0.062 0.000 1.048 251 V CA -0.869 61.422 62.300 -0.014 0.000 0.964 251 V CB 2.075 33.948 31.823 0.083 0.000 1.004 251 V HN 0.351 nan 8.190 nan 0.000 0.466 252 L N 4.181 125.365 121.223 -0.066 0.000 2.295 252 L HA 0.559 4.899 4.340 -0.000 0.000 0.285 252 L C -0.832 175.946 176.870 -0.154 0.000 1.035 252 L CA -0.579 54.162 54.840 -0.166 0.000 0.806 252 L CB 1.591 43.550 42.059 -0.167 0.000 1.214 252 L HN 0.531 nan 8.230 nan 0.000 0.426 253 L N 4.423 125.480 121.223 -0.276 0.000 2.343 253 L HA 0.528 4.867 4.340 -0.000 0.000 0.278 253 L C -1.234 175.426 176.870 -0.350 0.000 0.996 253 L CA 0.129 54.856 54.840 -0.187 0.000 0.831 253 L CB 1.169 43.157 42.059 -0.118 0.000 1.232 253 L HN 0.209 nan 8.230 nan 0.000 0.413 254 F N 5.874 125.789 119.950 -0.058 0.000 2.408 254 F HA 0.539 5.066 4.527 -0.000 0.000 0.344 254 F C 0.161 175.764 175.800 -0.328 0.000 1.112 254 F CA -0.314 57.606 58.000 -0.133 0.000 1.096 254 F CB 1.157 40.159 39.000 0.004 0.000 1.129 254 F HN 0.253 nan 8.300 nan 0.000 0.486 255 I N 3.121 123.610 120.570 -0.135 0.000 2.411 255 I HA 0.223 4.393 4.170 -0.000 0.000 0.284 255 I C -1.079 174.936 176.117 -0.169 0.000 1.012 255 I CA -0.393 60.778 61.300 -0.215 0.000 1.119 255 I CB 1.401 39.280 38.000 -0.201 0.000 1.261 255 I HN 0.437 nan 8.210 nan 0.000 0.448 256 D N 6.719 126.969 120.400 -0.250 0.000 2.420 256 D HA 0.368 5.008 4.640 -0.000 0.000 0.255 256 D C -1.032 175.248 176.300 -0.033 0.000 1.185 256 D CA -0.312 53.634 54.000 -0.090 0.000 0.904 256 D CB 0.839 41.631 40.800 -0.013 0.000 1.102 256 D HN 0.715 nan 8.370 nan 0.000 0.534 257 N N 1.296 120.009 118.700 0.020 0.000 2.853 257 N HA 0.286 5.026 4.740 -0.000 0.000 0.258 257 N C 0.486 176.044 175.510 0.080 0.000 1.444 257 N CA -0.854 52.217 53.050 0.035 0.000 0.837 257 N CB 1.094 39.612 38.487 0.053 0.000 1.489 257 N HN 0.008 nan 8.380 nan 0.000 0.529 258 I N -0.275 120.339 120.570 0.073 0.000 2.394 258 I HA -0.033 4.136 4.170 -0.000 0.000 0.251 258 I C 1.481 177.723 176.117 0.210 0.000 1.136 258 I CA 1.041 62.394 61.300 0.089 0.000 1.425 258 I CB -0.334 37.670 38.000 0.006 0.000 1.079 258 I HN 0.689 nan 8.210 nan 0.000 0.425 259 F N 1.367 121.378 119.950 0.102 0.000 2.234 259 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 259 F C 2.401 178.268 175.800 0.112 0.000 1.087 259 F CA 1.496 59.569 58.000 0.123 0.000 1.340 259 F CB -0.317 38.791 39.000 0.180 0.000 1.031 259 F HN -0.057 nan 8.300 nan 0.000 0.500 260 R N -0.970 119.534 120.500 0.007 0.000 2.189 260 R HA -0.112 4.228 4.340 -0.000 0.000 0.218 260 R C 2.151 178.405 176.300 -0.077 0.000 1.074 260 R CA 1.196 57.237 56.100 -0.099 0.000 0.991 260 R CB -0.732 29.578 30.300 0.016 0.000 0.883 260 R HN 0.424 nan 8.270 nan 0.000 0.457 261 F N 1.563 121.432 119.950 -0.135 0.000 2.113 261 F HA -0.166 4.361 4.527 -0.000 0.000 0.297 261 F C 2.051 177.762 175.800 -0.148 0.000 1.103 261 F CA 1.593 59.522 58.000 -0.117 0.000 1.248 261 F CB -0.393 38.553 39.000 -0.091 0.000 0.999 261 F HN -0.197 nan 8.300 nan 0.000 0.475 262 T N 0.572 114.986 114.554 -0.234 0.000 2.708 262 T HA -0.266 4.084 4.350 -0.000 0.000 0.266 262 T C 1.950 176.432 174.700 -0.364 0.000 1.037 262 T CA 1.686 63.582 62.100 -0.341 0.000 1.146 262 T CB -0.472 68.282 68.868 -0.191 0.000 0.865 262 T HN 0.474 nan 8.240 nan 0.000 0.435 263 Q N 0.729 120.227 119.800 -0.502 0.000 2.096 263 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 263 Q C 2.448 178.300 176.000 -0.247 0.000 0.982 263 Q CA 1.718 57.272 55.803 -0.416 0.000 0.850 263 Q CB -0.315 28.091 28.738 -0.553 0.000 0.901 263 Q HN 0.530 nan 8.270 nan 0.000 0.422 264 A N 0.520 123.193 122.820 -0.245 0.000 1.930 264 A HA -0.067 4.252 4.320 -0.000 0.000 0.217 264 A C 2.295 179.759 177.584 -0.199 0.000 1.175 264 A CA 1.494 53.421 52.037 -0.183 0.000 0.627 264 A CB -1.170 17.740 19.000 -0.150 0.000 0.815 264 A HN 0.612 nan 8.150 nan 0.000 0.443 265 G N -0.866 107.754 108.800 -0.301 0.000 2.422 265 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 265 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 265 G C 1.917 176.725 174.900 -0.154 0.000 1.146 265 G CA 1.478 46.415 45.100 -0.271 0.000 0.769 265 G HN 0.559 nan 8.290 nan 0.000 0.547 266 S N 0.187 115.811 115.700 -0.126 0.000 2.368 266 S HA -0.087 4.383 4.470 -0.000 0.000 0.224 266 S C 2.245 176.804 174.600 -0.067 0.000 1.029 266 S CA 1.778 59.943 58.200 -0.058 0.000 0.988 266 S CB -0.256 62.929 63.200 -0.024 0.000 0.838 266 S HN 0.587 nan 8.310 nan 0.000 0.462 267 E N 0.109 120.258 120.200 -0.084 0.000 2.072 267 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 267 E C 2.160 178.727 176.600 -0.055 0.000 0.985 267 E CA 1.372 57.732 56.400 -0.067 0.000 0.801 267 E CB -0.215 29.443 29.700 -0.070 0.000 0.750 267 E HN 0.349 nan 8.360 nan 0.000 0.452 268 V N 0.868 120.744 119.914 -0.064 0.000 2.295 268 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 268 V C 2.431 178.501 176.094 -0.039 0.000 1.049 268 V CA 1.970 64.240 62.300 -0.049 0.000 1.024 268 V CB -0.501 31.288 31.823 -0.057 0.000 0.648 268 V HN 0.267 nan 8.190 nan 0.000 0.447 269 S N -0.379 115.294 115.700 -0.045 0.000 2.370 269 S HA -0.214 4.256 4.470 -0.000 0.000 0.226 269 S C 2.154 176.740 174.600 -0.024 0.000 1.033 269 S CA 1.714 59.895 58.200 -0.031 0.000 1.011 269 S CB -0.379 62.804 63.200 -0.029 0.000 0.852 269 S HN 0.624 nan 8.310 nan 0.000 0.457 270 A N 1.604 124.407 122.820 -0.029 0.000 1.883 270 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 270 A C 2.220 179.791 177.584 -0.020 0.000 1.186 270 A CA 1.618 53.640 52.037 -0.025 0.000 0.624 270 A CB -0.925 18.056 19.000 -0.032 0.000 0.822 270 A HN 0.585 nan 8.150 nan 0.000 0.444 271 L N -0.818 120.392 121.223 -0.022 0.000 2.131 271 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 271 L C 2.042 178.906 176.870 -0.011 0.000 1.092 271 L CA 0.839 55.669 54.840 -0.016 0.000 0.759 271 L CB -0.459 41.590 42.059 -0.017 0.000 0.903 271 L HN 0.362 nan 8.230 nan 0.000 0.435 272 L N -0.354 120.862 121.223 -0.011 0.000 2.599 272 L HA 0.099 4.439 4.340 -0.000 0.000 0.230 272 L C 1.443 178.310 176.870 -0.005 0.000 1.141 272 L CA 0.500 55.337 54.840 -0.006 0.000 0.877 272 L CB -0.441 41.613 42.059 -0.007 0.000 1.009 272 L HN 0.482 nan 8.230 nan 0.000 0.447 273 G N 0.610 109.406 108.800 -0.007 0.000 2.148 273 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.254 273 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.254 273 G C 0.295 175.192 174.900 -0.005 0.000 0.981 273 G CA -0.202 44.895 45.100 -0.006 0.000 0.670 273 G HN 0.371 nan 8.290 nan 0.000 0.528 274 R N -0.259 120.237 120.500 -0.006 0.000 2.491 274 R HA 0.479 4.819 4.340 -0.000 0.000 0.283 274 R C 1.027 177.324 176.300 -0.004 0.000 1.072 274 R CA -0.454 55.644 56.100 -0.005 0.000 1.048 274 R CB 0.698 30.995 30.300 -0.006 0.000 0.983 274 R HN 0.340 nan 8.270 nan 0.000 0.450 275 I N 5.505 126.074 120.570 -0.001 0.000 2.598 275 I HA 0.035 4.205 4.170 -0.000 0.000 0.284 275 I C -1.723 174.397 176.117 0.004 0.000 1.140 275 I CA -1.631 59.670 61.300 0.001 0.000 1.420 275 I CB 0.485 38.487 38.000 0.003 0.000 1.387 275 I HN 0.295 nan 8.210 nan 0.000 0.553 276 P HA 0.063 nan 4.420 nan 0.000 0.269 276 P C -0.233 177.079 177.300 0.020 0.000 1.215 276 P CA -0.059 63.044 63.100 0.006 0.000 0.780 276 P CB 0.831 32.524 31.700 -0.011 0.000 0.898 277 S N 1.224 116.949 115.700 0.042 0.000 2.590 277 S HA 0.651 5.121 4.470 -0.000 0.000 0.282 277 S C -0.196 174.444 174.600 0.067 0.000 1.136 277 S CA -0.413 57.821 58.200 0.056 0.000 1.030 277 S CB -0.025 63.220 63.200 0.075 0.000 1.195 277 S HN 0.514 nan 8.310 nan 0.000 0.506 278 A N 0.344 123.216 122.820 0.087 0.000 2.540 278 A HA 0.391 4.711 4.320 -0.000 0.000 0.239 278 A C 1.016 178.679 177.584 0.132 0.000 1.061 278 A CA 0.439 52.532 52.037 0.094 0.000 0.758 278 A CB -0.863 18.194 19.000 0.096 0.000 0.991 278 A HN 1.625 nan 8.150 nan 0.000 0.502 279 V N 1.219 121.172 119.914 0.064 0.000 2.666 279 V HA -0.318 3.802 4.120 -0.000 0.000 0.147 279 V C 1.808 177.795 176.094 -0.178 0.000 0.450 279 V CA 1.680 63.981 62.300 0.002 0.000 1.232 279 V CB -2.427 29.470 31.823 0.123 0.000 1.437 279 V HN 2.944 nan 8.190 nan 0.000 1.056 280 G N -2.476 106.257 108.800 -0.112 0.000 2.176 280 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.253 280 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.253 280 G C -0.098 174.693 174.900 -0.183 0.000 0.979 280 G CA 0.312 45.317 45.100 -0.160 0.000 0.641 280 G HN 0.880 nan 8.290 nan 0.000 0.530 281 Y N 1.856 122.161 120.300 0.008 0.000 2.330 281 Y HA 0.378 4.928 4.550 -0.000 0.000 0.341 281 Y C 1.501 177.389 175.900 -0.021 0.000 1.278 281 Y CA -0.052 58.043 58.100 -0.009 0.000 1.453 281 Y CB 0.452 38.914 38.460 0.004 0.000 1.342 281 Y HN 0.394 nan 8.280 nan 0.000 0.590 282 Q N 3.501 123.391 119.800 0.150 0.000 2.395 282 Q HA 0.021 4.361 4.340 -0.000 0.000 0.271 282 Q C -2.258 173.776 176.000 0.057 0.000 1.026 282 Q CA -1.495 54.342 55.803 0.057 0.000 0.900 282 Q CB 0.789 29.532 28.738 0.010 0.000 1.266 282 Q HN 0.401 nan 8.270 nan 0.000 0.430 283 P HA -0.109 nan 4.420 nan 0.000 0.222 283 P C 0.889 178.201 177.300 0.020 0.000 1.147 283 P CA 1.463 64.580 63.100 0.029 0.000 0.790 283 P CB -0.115 31.596 31.700 0.018 0.000 0.780 284 T N -3.346 111.214 114.554 0.010 0.000 3.324 284 T HA 0.111 4.461 4.350 -0.000 0.000 0.250 284 T C 1.447 176.145 174.700 -0.003 0.000 1.059 284 T CA -0.317 61.785 62.100 0.003 0.000 0.951 284 T CB -0.900 67.963 68.868 -0.007 0.000 1.030 284 T HN -0.153 nan 8.240 nan 0.000 0.576 285 L N 1.821 123.043 121.223 -0.001 0.000 1.997 285 L HA -0.027 4.313 4.340 -0.000 0.000 0.216 285 L C 2.672 179.540 176.870 -0.004 0.000 1.074 285 L CA 2.317 57.142 54.840 -0.026 0.000 0.763 285 L CB -1.121 40.908 42.059 -0.049 0.000 0.890 285 L HN 0.387 nan 8.230 nan 0.000 0.434 286 A N -1.778 121.053 122.820 0.017 0.000 1.968 286 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 286 A C 2.280 179.910 177.584 0.077 0.000 1.169 286 A CA 1.880 53.950 52.037 0.055 0.000 0.638 286 A CB -1.124 17.906 19.000 0.049 0.000 0.812 286 A HN 0.640 nan 8.150 nan 0.000 0.446 287 T N -2.372 112.213 114.554 0.052 0.000 2.896 287 T HA -0.097 4.253 4.350 -0.000 0.000 0.263 287 T C 1.359 176.094 174.700 0.059 0.000 1.050 287 T CA 1.212 63.344 62.100 0.053 0.000 1.140 287 T CB -0.421 68.469 68.868 0.036 0.000 0.877 287 T HN 0.297 nan 8.240 nan 0.000 0.457 288 D N 1.114 121.539 120.400 0.042 0.000 2.116 288 D HA -0.090 4.550 4.640 -0.000 0.000 0.193 288 D C 1.937 178.340 176.300 0.172 0.000 0.998 288 D CA 1.261 55.292 54.000 0.051 0.000 0.836 288 D CB -0.394 40.367 40.800 -0.066 0.000 0.951 288 D HN 0.306 nan 8.370 nan 0.000 0.449 289 M N 0.639 120.332 119.600 0.155 0.000 2.099 289 M HA 0.013 4.493 4.480 -0.000 0.000 0.262 289 M C 2.003 178.267 176.300 -0.060 0.000 1.067 289 M CA 1.854 57.244 55.300 0.150 0.000 1.124 289 M CB -0.787 31.876 32.600 0.105 0.000 1.353 289 M HN 0.001 nan 8.290 nan 0.000 0.410 290 G N -1.383 107.424 108.800 0.011 0.000 2.418 290 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 290 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 290 G C 1.441 176.338 174.900 -0.004 0.000 1.158 290 G CA 1.548 46.656 45.100 0.014 0.000 0.771 290 G HN 0.597 nan 8.290 nan 0.000 0.545 291 T N -1.644 112.930 114.554 0.033 0.000 2.915 291 T HA -0.016 4.334 4.350 -0.000 0.000 0.269 291 T C 2.194 176.900 174.700 0.009 0.000 1.071 291 T CA 1.392 63.514 62.100 0.038 0.000 1.132 291 T CB -0.096 68.812 68.868 0.067 0.000 0.878 291 T HN 0.123 nan 8.240 nan 0.000 0.479 292 M N 0.705 120.297 119.600 -0.013 0.000 2.171 292 M HA 0.040 4.519 4.480 -0.000 0.000 0.260 292 M C 2.319 178.510 176.300 -0.181 0.000 1.087 292 M CA 1.405 56.645 55.300 -0.099 0.000 1.154 292 M CB -0.718 31.785 32.600 -0.162 0.000 1.331 292 M HN 0.170 nan 8.290 nan 0.000 0.431 293 Q N 0.511 120.151 119.800 -0.266 0.000 2.084 293 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 293 Q C 1.733 177.646 176.000 -0.144 0.000 0.978 293 Q CA 1.291 56.913 55.803 -0.302 0.000 0.844 293 Q CB -0.505 27.846 28.738 -0.646 0.000 0.898 293 Q HN 0.561 nan 8.270 nan 0.000 0.426 294 E N 0.537 120.690 120.200 -0.079 0.000 2.333 294 E HA -0.134 4.216 4.350 -0.000 0.000 0.198 294 E C 1.788 178.378 176.600 -0.016 0.000 1.007 294 E CA 0.477 56.876 56.400 -0.002 0.000 0.845 294 E CB -0.066 29.657 29.700 0.038 0.000 0.766 294 E HN 0.311 nan 8.360 nan 0.000 0.507 295 R N 0.035 120.509 120.500 -0.042 0.000 2.236 295 R HA 0.109 4.449 4.340 -0.000 0.000 0.208 295 R C 0.766 177.037 176.300 -0.048 0.000 1.036 295 R CA 0.228 56.305 56.100 -0.038 0.000 1.001 295 R CB 0.139 30.413 30.300 -0.044 0.000 0.896 295 R HN 0.053 nan 8.270 nan 0.000 0.464 296 I N 1.157 121.688 120.570 -0.066 0.000 2.291 296 I HA 0.096 4.266 4.170 -0.000 0.000 0.292 296 I C 0.108 176.196 176.117 -0.049 0.000 1.064 296 I CA 0.190 61.448 61.300 -0.070 0.000 1.269 296 I CB 1.309 39.247 38.000 -0.104 0.000 1.418 296 I HN -0.070 nan 8.210 nan 0.000 0.485 297 T N 3.017 117.546 114.554 -0.042 0.000 2.733 297 T HA 0.288 4.638 4.350 -0.000 0.000 0.312 297 T C -0.809 173.869 174.700 -0.036 0.000 1.590 297 T CA -0.516 61.563 62.100 -0.034 0.000 1.005 297 T CB 1.467 70.321 68.868 -0.024 0.000 1.528 297 T HN 0.367 nan 8.240 nan 0.000 0.496 298 T N 2.831 117.363 114.554 -0.036 0.000 2.780 298 T HA 0.596 4.946 4.350 -0.000 0.000 0.294 298 T C 0.497 175.172 174.700 -0.041 0.000 0.949 298 T CA -0.415 61.663 62.100 -0.036 0.000 1.074 298 T CB 0.802 69.648 68.868 -0.035 0.000 0.910 298 T HN 0.846 nan 8.240 nan 0.000 0.501 299 T N 0.280 114.812 114.554 -0.037 0.000 2.841 299 T HA 0.488 4.838 4.350 -0.000 0.000 0.276 299 T C 1.165 175.842 174.700 -0.038 0.000 1.003 299 T CA -1.044 61.031 62.100 -0.041 0.000 0.995 299 T CB 1.417 70.265 68.868 -0.034 0.000 1.260 299 T HN 0.331 nan 8.240 nan 0.000 0.581 300 K N 0.045 120.421 120.400 -0.039 0.000 2.097 300 K HA -0.004 4.316 4.320 -0.000 0.000 0.206 300 K C 2.168 178.752 176.600 -0.027 0.000 1.049 300 K CA 1.209 57.475 56.287 -0.034 0.000 0.933 300 K CB -0.147 32.333 32.500 -0.033 0.000 0.717 300 K HN 0.377 nan 8.250 nan 0.000 0.442 301 K N -0.558 119.826 120.400 -0.027 0.000 2.057 301 K HA 0.003 4.323 4.320 -0.000 0.000 0.206 301 K C 1.015 177.603 176.600 -0.020 0.000 1.050 301 K CA 1.208 57.479 56.287 -0.026 0.000 0.935 301 K CB 0.200 32.680 32.500 -0.033 0.000 0.715 301 K HN 0.326 nan 8.250 nan 0.000 0.439 302 G N -1.666 107.123 108.800 -0.019 0.000 2.485 302 G HA2 0.341 4.301 3.960 -0.000 0.000 0.182 302 G HA3 0.341 4.301 3.960 -0.000 0.000 0.182 302 G C -1.488 173.402 174.900 -0.017 0.000 1.172 302 G CA -0.127 44.965 45.100 -0.013 0.000 0.996 302 G HN 0.207 nan 8.290 nan 0.000 0.496 303 S N -1.112 114.579 115.700 -0.016 0.000 2.537 303 S HA 0.716 5.186 4.470 -0.000 0.000 0.271 303 S C -1.337 173.247 174.600 -0.026 0.000 1.148 303 S CA -0.719 57.466 58.200 -0.026 0.000 0.868 303 S CB 1.637 64.817 63.200 -0.034 0.000 1.115 303 S HN 0.842 nan 8.310 nan 0.000 0.461 304 I N 2.483 123.033 120.570 -0.035 0.000 2.362 304 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 304 I C -0.258 175.810 176.117 -0.082 0.000 0.994 304 I CA -0.341 60.931 61.300 -0.047 0.000 1.158 304 I CB 1.964 39.942 38.000 -0.036 0.000 1.315 304 I HN 0.661 nan 8.210 nan 0.000 0.451 305 T N 3.994 118.481 114.554 -0.113 0.000 2.829 305 T HA 0.333 4.683 4.350 -0.000 0.000 0.282 305 T C -0.230 174.334 174.700 -0.226 0.000 0.990 305 T CA -0.530 61.478 62.100 -0.152 0.000 1.028 305 T CB 1.575 70.359 68.868 -0.140 0.000 0.951 305 T HN 0.505 nan 8.240 nan 0.000 0.460 306 S N 1.993 117.542 115.700 -0.250 0.000 2.519 306 S HA 0.583 5.053 4.470 -0.000 0.000 0.309 306 S C -0.666 173.726 174.600 -0.346 0.000 1.100 306 S CA -0.656 57.363 58.200 -0.302 0.000 1.059 306 S CB 0.646 63.710 63.200 -0.226 0.000 1.008 306 S HN 0.469 nan 8.310 nan 0.000 0.478 307 V N 5.931 125.590 119.914 -0.424 0.000 2.370 307 V HA 0.453 4.573 4.120 -0.000 0.000 0.279 307 V C -0.344 175.678 176.094 -0.119 0.000 1.029 307 V CA -0.448 61.685 62.300 -0.278 0.000 0.870 307 V CB 1.202 32.913 31.823 -0.188 0.000 0.984 307 V HN 0.857 nan 8.190 nan 0.000 0.451 308 Q N 3.450 123.189 119.800 -0.102 0.000 2.339 308 Q HA 0.649 4.989 4.340 -0.000 0.000 0.268 308 Q C -0.169 175.787 176.000 -0.073 0.000 1.027 308 Q CA -0.492 55.261 55.803 -0.083 0.000 0.759 308 Q CB 2.151 30.823 28.738 -0.110 0.000 1.244 308 Q HN 0.882 nan 8.270 nan 0.000 0.464 309 A N 4.373 127.179 122.820 -0.022 0.000 2.492 309 A HA 0.302 4.622 4.320 -0.000 0.000 0.254 309 A C -0.155 177.391 177.584 -0.062 0.000 1.091 309 A CA -0.029 51.991 52.037 -0.028 0.000 0.768 309 A CB 0.110 19.144 19.000 0.057 0.000 1.028 309 A HN 0.648 nan 8.150 nan 0.000 0.498 310 I N 2.992 123.440 120.570 -0.205 0.000 2.362 310 I HA 0.185 4.355 4.170 -0.000 0.000 0.289 310 I C -0.636 175.463 176.117 -0.030 0.000 0.994 310 I CA -0.273 60.909 61.300 -0.196 0.000 1.158 310 I CB 0.995 38.645 38.000 -0.583 0.000 1.315 310 I HN 0.731 nan 8.210 nan 0.000 0.451 311 Y N 6.349 126.637 120.300 -0.019 0.000 2.330 311 Y HA 0.456 5.006 4.550 -0.000 0.000 0.336 311 Y C -0.411 175.416 175.900 -0.122 0.000 1.036 311 Y CA -0.503 57.566 58.100 -0.052 0.000 1.125 311 Y CB 1.527 39.940 38.460 -0.078 0.000 1.194 311 Y HN 0.289 nan 8.280 nan 0.000 0.469 312 V N 9.258 128.795 119.914 -0.629 0.000 2.311 312 V HA 0.299 4.419 4.120 -0.000 0.000 0.275 312 V C -2.141 173.562 176.094 -0.651 0.000 1.022 312 V CA -2.017 60.036 62.300 -0.412 0.000 0.830 312 V CB 0.683 32.443 31.823 -0.105 0.000 1.012 312 V HN 0.695 nan 8.190 nan 0.000 0.452 313 P HA 0.116 nan 4.420 nan 0.000 0.268 313 P C 0.594 177.825 177.300 -0.115 0.000 1.204 313 P CA 0.733 63.700 63.100 -0.222 0.000 0.768 313 P CB 0.975 32.610 31.700 -0.108 0.000 0.842 314 A N 3.524 126.309 122.820 -0.058 0.000 2.790 314 A HA -0.252 4.068 4.320 -0.000 0.000 0.277 314 A C 0.868 178.424 177.584 -0.046 0.000 1.435 314 A CA 1.274 53.296 52.037 -0.024 0.000 0.877 314 A CB -2.553 16.453 19.000 0.011 0.000 1.007 314 A HN 0.638 nan 8.150 nan 0.000 0.613 315 D N -1.334 119.002 120.400 -0.107 0.000 2.792 315 D HA -0.204 4.436 4.640 -0.000 0.000 0.231 315 D C -0.190 176.093 176.300 -0.028 0.000 1.160 315 D CA 1.949 55.901 54.000 -0.080 0.000 0.697 315 D CB -0.935 39.836 40.800 -0.050 0.000 1.070 315 D HN 0.938 nan 8.370 nan 0.000 0.426 316 D N 0.247 120.634 120.400 -0.021 0.000 2.454 316 D HA 0.259 4.899 4.640 -0.000 0.000 0.225 316 D C 1.373 177.696 176.300 0.039 0.000 1.081 316 D CA -0.519 53.490 54.000 0.016 0.000 0.864 316 D CB 0.455 41.269 40.800 0.024 0.000 1.040 316 D HN 0.062 nan 8.370 nan 0.000 0.517 317 L N 2.516 123.788 121.223 0.083 0.000 2.465 317 L HA -0.018 4.322 4.340 -0.000 0.000 0.224 317 L C 2.100 179.056 176.870 0.142 0.000 1.145 317 L CA 1.127 56.076 54.840 0.181 0.000 0.834 317 L CB -0.303 41.902 42.059 0.242 0.000 0.944 317 L HN 0.484 nan 8.230 nan 0.000 0.451 318 T N -4.976 109.628 114.554 0.083 0.000 3.086 318 T HA -0.010 4.340 4.350 -0.000 0.000 0.250 318 T C 0.683 175.408 174.700 0.042 0.000 1.074 318 T CA -0.481 61.658 62.100 0.064 0.000 0.988 318 T CB -0.240 68.662 68.868 0.057 0.000 0.988 318 T HN 0.155 nan 8.240 nan 0.000 0.530 319 D N 2.456 122.877 120.400 0.036 0.000 2.455 319 D HA 0.064 4.704 4.640 -0.000 0.000 0.241 319 D C -1.478 174.820 176.300 -0.003 0.000 1.138 319 D CA -1.582 52.456 54.000 0.062 0.000 0.877 319 D CB 1.699 42.553 40.800 0.090 0.000 1.187 319 D HN 0.005 nan 8.370 nan 0.000 0.451 320 P HA -0.194 nan 4.420 nan 0.000 0.217 320 P C 0.878 177.982 177.300 -0.328 0.000 1.151 320 P CA 1.874 64.886 63.100 -0.147 0.000 0.849 320 P CB 0.128 31.755 31.700 -0.122 0.000 0.787 321 A N 0.177 122.721 122.820 -0.460 0.000 1.835 321 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 321 A C 0.028 177.482 177.584 -0.216 0.000 1.199 321 A CA 2.339 54.175 52.037 -0.334 0.000 0.615 321 A CB -2.287 16.711 19.000 -0.004 0.000 0.838 321 A HN 0.225 nan 8.150 nan 0.000 0.444 322 P HA -0.101 nan 4.420 nan 0.000 0.217 322 P C 1.606 178.312 177.300 -0.990 0.000 1.150 322 P CA 1.928 64.609 63.100 -0.698 0.000 0.832 322 P CB -0.198 31.125 31.700 -0.628 0.000 0.787 323 A N 0.170 122.709 122.820 -0.469 0.000 1.883 323 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 323 A C 2.367 179.886 177.584 -0.109 0.000 1.186 323 A CA 2.651 54.571 52.037 -0.195 0.000 0.624 323 A CB -1.972 16.995 19.000 -0.055 0.000 0.822 323 A HN 0.201 nan 8.150 nan 0.000 0.444 324 T N -0.182 114.300 114.554 -0.120 0.000 2.821 324 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 324 T C 1.977 176.715 174.700 0.064 0.000 1.046 324 T CA 1.881 63.967 62.100 -0.025 0.000 1.139 324 T CB -0.534 68.308 68.868 -0.042 0.000 0.871 324 T HN 0.592 nan 8.240 nan 0.000 0.454 325 T N 1.997 116.538 114.554 -0.022 0.000 2.777 325 T HA -0.018 4.332 4.350 -0.000 0.000 0.266 325 T C 1.537 176.369 174.700 0.220 0.000 1.040 325 T CA 0.795 62.943 62.100 0.079 0.000 1.141 325 T CB -0.441 68.413 68.868 -0.023 0.000 0.868 325 T HN 0.242 nan 8.240 nan 0.000 0.444 326 F N 2.006 122.017 119.950 0.102 0.000 2.250 326 F HA 0.075 4.602 4.527 -0.000 0.000 0.301 326 F C 2.658 178.479 175.800 0.034 0.000 1.077 326 F CA -0.157 57.894 58.000 0.084 0.000 1.348 326 F CB -1.434 37.613 39.000 0.078 0.000 1.040 326 F HN 0.176 nan 8.300 nan 0.000 0.509 327 A N -0.952 121.965 122.820 0.162 0.000 2.076 327 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 327 A C 1.832 179.314 177.584 -0.169 0.000 1.160 327 A CA 1.630 53.639 52.037 -0.048 0.000 0.653 327 A CB -0.876 18.022 19.000 -0.170 0.000 0.801 327 A HN 0.476 nan 8.150 nan 0.000 0.455 328 H N -1.405 117.712 119.070 0.080 0.000 2.622 328 H HA 0.307 4.863 4.556 -0.000 0.000 0.269 328 H C -0.014 175.335 175.328 0.034 0.000 0.977 328 H CA -0.080 55.992 56.048 0.040 0.000 1.179 328 H CB 0.130 29.901 29.762 0.015 0.000 1.458 328 H HN 0.331 nan 8.280 nan 0.000 0.531 329 L N 1.428 122.746 121.223 0.159 0.000 2.350 329 L HA 0.116 4.456 4.340 -0.000 0.000 0.275 329 L C 0.786 177.685 176.870 0.050 0.000 1.099 329 L CA -0.126 54.776 54.840 0.104 0.000 0.808 329 L CB 1.140 43.291 42.059 0.154 0.000 1.149 329 L HN 0.016 nan 8.230 nan 0.000 0.442 330 D N 1.350 121.760 120.400 0.016 0.000 2.454 330 D HA 0.304 4.944 4.640 -0.000 0.000 0.214 330 D C 0.243 176.547 176.300 0.006 0.000 1.088 330 D CA 0.406 54.408 54.000 0.003 0.000 0.855 330 D CB 1.469 42.263 40.800 -0.010 0.000 1.025 330 D HN 0.572 nan 8.370 nan 0.000 0.502 331 A N 0.299 123.122 122.820 0.005 0.000 2.599 331 A HA 0.612 4.932 4.320 -0.000 0.000 0.290 331 A C -0.888 176.732 177.584 0.060 0.000 1.101 331 A CA -0.582 51.474 52.037 0.031 0.000 0.674 331 A CB 1.498 20.527 19.000 0.048 0.000 1.277 331 A HN -0.029 nan 8.150 nan 0.000 0.419 332 T N -1.387 113.231 114.554 0.106 0.000 2.893 332 T HA 0.739 5.089 4.350 -0.000 0.000 0.293 332 T C -0.716 174.116 174.700 0.220 0.000 1.027 332 T CA -0.502 61.717 62.100 0.197 0.000 0.988 332 T CB 1.637 70.600 68.868 0.159 0.000 1.043 332 T HN 0.689 nan 8.240 nan 0.000 0.461 333 T N 2.459 117.183 114.554 0.284 0.000 2.809 333 T HA 0.494 4.844 4.350 -0.000 0.000 0.296 333 T C -0.259 174.619 174.700 0.297 0.000 1.015 333 T CA -0.565 61.701 62.100 0.277 0.000 0.954 333 T CB 0.918 69.974 68.868 0.314 0.000 0.950 333 T HN 0.637 nan 8.240 nan 0.000 0.450 334 V N 5.696 125.737 119.914 0.211 0.000 2.334 334 V HA 0.336 4.456 4.120 -0.000 0.000 0.267 334 V C 0.096 176.284 176.094 0.156 0.000 1.040 334 V CA -0.700 61.711 62.300 0.185 0.000 0.866 334 V CB 0.580 32.434 31.823 0.052 0.000 1.019 334 V HN 0.759 nan 8.190 nan 0.000 0.468 335 L N 4.393 125.725 121.223 0.182 0.000 2.276 335 L HA 0.504 4.844 4.340 -0.000 0.000 0.286 335 L C 0.445 177.389 176.870 0.125 0.000 1.061 335 L CA 0.365 55.297 54.840 0.153 0.000 0.807 335 L CB 1.522 43.683 42.059 0.170 0.000 1.177 335 L HN 0.655 nan 8.230 nan 0.000 0.429 336 S N 2.505 118.262 115.700 0.095 0.000 2.513 336 S HA 0.364 4.834 4.470 -0.000 0.000 0.299 336 S C 0.729 175.368 174.600 0.065 0.000 1.087 336 S CA -0.747 57.495 58.200 0.069 0.000 1.012 336 S CB 1.816 65.042 63.200 0.043 0.000 1.044 336 S HN 0.730 nan 8.310 nan 0.000 0.485 337 R N 3.137 123.675 120.500 0.063 0.000 2.092 337 R HA 0.024 4.364 4.340 -0.000 0.000 0.231 337 R C 2.098 178.420 176.300 0.037 0.000 1.119 337 R CA 1.713 57.849 56.100 0.061 0.000 0.970 337 R CB -0.634 29.702 30.300 0.060 0.000 0.864 337 R HN 0.750 nan 8.270 nan 0.000 0.440 338 A N 1.199 124.034 122.820 0.024 0.000 1.902 338 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 338 A C 1.988 179.565 177.584 -0.011 0.000 1.181 338 A CA 1.231 53.274 52.037 0.009 0.000 0.623 338 A CB -0.372 18.634 19.000 0.010 0.000 0.818 338 A HN 0.287 nan 8.150 nan 0.000 0.443 339 I N -0.248 120.312 120.570 -0.017 0.000 2.439 339 I HA -0.152 4.018 4.170 -0.000 0.000 0.251 339 I C 2.819 178.845 176.117 -0.152 0.000 1.139 339 I CA 1.253 62.517 61.300 -0.059 0.000 1.438 339 I CB -1.642 36.337 38.000 -0.035 0.000 1.085 339 I HN 0.353 nan 8.210 nan 0.000 0.427 340 A N 0.714 123.474 122.820 -0.100 0.000 1.897 340 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 340 A C 2.216 179.739 177.584 -0.101 0.000 1.181 340 A CA 1.200 53.155 52.037 -0.136 0.000 0.620 340 A CB -0.556 18.537 19.000 0.154 0.000 0.821 340 A HN 0.422 nan 8.150 nan 0.000 0.443 341 E N -0.360 119.831 120.200 -0.014 0.000 2.268 341 E HA -0.038 4.312 4.350 -0.000 0.000 0.195 341 E C 1.450 178.035 176.600 -0.025 0.000 0.995 341 E CA 0.469 56.877 56.400 0.013 0.000 0.836 341 E CB -0.182 29.533 29.700 0.024 0.000 0.763 341 E HN 0.584 nan 8.360 nan 0.000 0.491 342 L N -0.494 120.686 121.223 -0.072 0.000 2.610 342 L HA 0.053 4.393 4.340 -0.000 0.000 0.232 342 L C 1.448 178.247 176.870 -0.118 0.000 1.149 342 L CA 0.487 55.279 54.840 -0.080 0.000 0.872 342 L CB 0.042 42.061 42.059 -0.066 0.000 0.992 342 L HN 0.306 nan 8.230 nan 0.000 0.447 343 G N -0.078 108.614 108.800 -0.181 0.000 2.159 343 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.256 343 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.256 343 G C 0.276 175.025 174.900 -0.252 0.000 0.977 343 G CA -0.363 44.655 45.100 -0.138 0.000 0.652 343 G HN 0.134 nan 8.290 nan 0.000 0.531 344 I N 1.098 121.427 120.570 -0.402 0.000 2.337 344 I HA 0.458 4.628 4.170 -0.000 0.000 0.291 344 I C -0.179 175.579 176.117 -0.599 0.000 1.046 344 I CA -0.727 60.410 61.300 -0.272 0.000 1.324 344 I CB -0.130 37.802 38.000 -0.113 0.000 1.409 344 I HN 0.081 nan 8.210 nan 0.000 0.494 345 Y N 7.062 127.331 120.300 -0.052 0.000 2.406 345 Y HA 0.416 4.966 4.550 -0.000 0.000 0.340 345 Y C -2.134 173.579 175.900 -0.312 0.000 0.975 345 Y CA -2.849 55.160 58.100 -0.150 0.000 1.056 345 Y CB 1.689 40.053 38.460 -0.161 0.000 1.210 345 Y HN 0.418 nan 8.280 nan 0.000 0.448 346 P HA 0.067 nan 4.420 nan 0.000 0.269 346 P C -0.143 177.196 177.300 0.066 0.000 1.209 346 P CA -0.096 63.022 63.100 0.030 0.000 0.776 346 P CB 1.010 32.781 31.700 0.119 0.000 0.876 347 A N 3.094 125.997 122.820 0.138 0.000 2.728 347 A HA 0.191 4.511 4.320 -0.000 0.000 0.258 347 A C 0.463 178.089 177.584 0.069 0.000 1.454 347 A CA -0.218 51.852 52.037 0.055 0.000 1.146 347 A CB -1.137 17.933 19.000 0.116 0.000 0.985 347 A HN 0.365 nan 8.150 nan 0.000 0.603 348 V N 1.418 121.375 119.914 0.071 0.000 2.455 348 V HA 0.051 4.171 4.120 -0.000 0.000 0.273 348 V C 0.353 176.475 176.094 0.047 0.000 1.045 348 V CA -0.690 61.659 62.300 0.081 0.000 0.976 348 V CB 0.983 32.864 31.823 0.097 0.000 0.993 348 V HN 0.554 nan 8.190 nan 0.000 0.475 349 D N 8.627 129.055 120.400 0.046 0.000 2.389 349 D HA 0.069 4.709 4.640 -0.000 0.000 0.263 349 D C -1.235 175.075 176.300 0.017 0.000 1.255 349 D CA -1.595 52.420 54.000 0.024 0.000 0.914 349 D CB 1.735 42.545 40.800 0.017 0.000 1.116 349 D HN 0.303 nan 8.370 nan 0.000 0.502 350 P HA -0.014 nan 4.420 nan 0.000 0.241 350 P C 1.273 178.563 177.300 -0.017 0.000 1.191 350 P CA 0.447 63.541 63.100 -0.010 0.000 0.771 350 P CB 0.504 32.192 31.700 -0.019 0.000 0.929 351 L N -1.181 120.036 121.223 -0.011 0.000 2.500 351 L HA 0.152 4.492 4.340 -0.000 0.000 0.219 351 L C 1.704 178.559 176.870 -0.026 0.000 1.057 351 L CA 0.613 55.442 54.840 -0.018 0.000 0.854 351 L CB -0.369 41.683 42.059 -0.011 0.000 1.078 351 L HN -0.190 nan 8.230 nan 0.000 0.480 352 D N -0.157 120.226 120.400 -0.028 0.000 2.213 352 D HA -0.021 4.619 4.640 -0.000 0.000 0.205 352 D C 0.736 177.003 176.300 -0.055 0.000 0.961 352 D CA 0.519 54.486 54.000 -0.055 0.000 0.853 352 D CB 0.204 40.965 40.800 -0.064 0.000 0.967 352 D HN 0.006 nan 8.370 nan 0.000 0.496 353 S N 0.447 116.140 115.700 -0.011 0.000 2.510 353 S HA 0.379 4.849 4.470 -0.000 0.000 0.279 353 S C 0.417 175.028 174.600 0.019 0.000 1.284 353 S CA -0.323 57.892 58.200 0.024 0.000 1.059 353 S CB 0.815 64.057 63.200 0.070 0.000 0.901 353 S HN 0.271 nan 8.310 nan 0.000 0.491 354 T N -0.391 114.176 114.554 0.022 0.000 2.901 354 T HA 0.785 5.135 4.350 -0.000 0.000 0.293 354 T C -0.557 174.173 174.700 0.050 0.000 1.084 354 T CA -0.915 61.199 62.100 0.022 0.000 1.008 354 T CB 1.893 70.754 68.868 -0.012 0.000 1.170 354 T HN 0.407 nan 8.240 nan 0.000 0.509 355 S N -1.087 114.644 115.700 0.052 0.000 2.546 355 S HA 0.407 4.877 4.470 -0.000 0.000 0.272 355 S C 0.605 175.231 174.600 0.043 0.000 1.140 355 S CA -0.842 57.394 58.200 0.060 0.000 0.920 355 S CB 1.679 64.934 63.200 0.091 0.000 1.083 355 S HN 0.759 nan 8.310 nan 0.000 0.476 356 R N 2.000 122.517 120.500 0.028 0.000 2.189 356 R HA 0.049 4.389 4.340 -0.000 0.000 0.223 356 R C 1.621 177.928 176.300 0.012 0.000 1.092 356 R CA 1.733 57.842 56.100 0.016 0.000 0.989 356 R CB -0.442 29.861 30.300 0.006 0.000 0.876 356 R HN 0.806 nan 8.270 nan 0.000 0.457 357 I N -2.821 117.758 120.570 0.015 0.000 3.812 357 I HA 0.133 4.303 4.170 -0.000 0.000 0.320 357 I C 0.462 176.576 176.117 -0.005 0.000 1.276 357 I CA -0.015 61.282 61.300 -0.004 0.000 1.164 357 I CB 0.214 38.207 38.000 -0.012 0.000 1.009 357 I HN -0.092 nan 8.210 nan 0.000 0.431 358 M N 3.320 122.945 119.600 0.042 0.000 3.070 358 M HA 0.206 4.686 4.480 -0.000 0.000 0.275 358 M C -0.778 175.607 176.300 0.142 0.000 1.510 358 M CA 0.877 56.246 55.300 0.115 0.000 1.608 358 M CB -1.295 31.397 32.600 0.153 0.000 1.266 358 M HN 0.323 nan 8.290 nan 0.000 0.514 359 D N 3.995 124.411 120.400 0.027 0.000 2.964 359 D HA 0.340 4.980 4.640 -0.000 0.000 0.234 359 D C -2.205 173.956 176.300 -0.232 0.000 1.223 359 D CA -1.261 52.635 54.000 -0.173 0.000 0.889 359 D CB 3.006 43.733 40.800 -0.122 0.000 1.609 359 D HN 0.102 nan 8.370 nan 0.000 0.523 360 P HA -0.095 nan 4.420 nan 0.000 0.223 360 P C 0.660 177.883 177.300 -0.128 0.000 1.144 360 P CA 0.809 63.745 63.100 -0.273 0.000 0.783 360 P CB 0.645 32.111 31.700 -0.391 0.000 0.771 361 N N -0.372 118.244 118.700 -0.139 0.000 2.305 361 N HA 0.045 4.785 4.740 -0.000 0.000 0.179 361 N C 1.999 177.474 175.510 -0.059 0.000 1.019 361 N CA 0.720 53.721 53.050 -0.082 0.000 0.869 361 N CB -0.321 38.117 38.487 -0.081 0.000 1.000 361 N HN 0.235 nan 8.380 nan 0.000 0.431 362 I N 1.331 121.861 120.570 -0.067 0.000 2.185 362 I HA -0.086 4.084 4.170 -0.000 0.000 0.235 362 I C 1.098 177.179 176.117 -0.061 0.000 1.069 362 I CA 0.362 61.628 61.300 -0.056 0.000 1.354 362 I CB -0.383 37.584 38.000 -0.055 0.000 1.093 362 I HN -0.110 nan 8.210 nan 0.000 0.411 363 V N 0.099 119.959 119.914 -0.089 0.000 3.083 363 V HA 0.538 4.658 4.120 -0.000 0.000 0.306 363 V C 0.772 176.858 176.094 -0.013 0.000 1.077 363 V CA -0.829 61.396 62.300 -0.126 0.000 1.073 363 V CB 0.097 31.682 31.823 -0.397 0.000 1.081 363 V HN 0.273 nan 8.190 nan 0.000 0.474 364 G N 0.603 109.437 108.800 0.055 0.000 2.630 364 G HA2 0.235 4.195 3.960 -0.000 0.000 0.236 364 G HA3 0.235 4.195 3.960 -0.000 0.000 0.236 364 G C 0.935 175.923 174.900 0.146 0.000 1.248 364 G CA 0.361 45.523 45.100 0.103 0.000 0.844 364 G HN 1.228 nan 8.290 nan 0.000 0.588 365 S N -0.592 115.175 115.700 0.112 0.000 2.382 365 S HA -0.146 4.324 4.470 -0.000 0.000 0.228 365 S C 2.038 176.738 174.600 0.166 0.000 1.027 365 S CA 1.934 60.214 58.200 0.133 0.000 0.991 365 S CB -0.280 62.971 63.200 0.086 0.000 0.823 365 S HN 0.742 nan 8.310 nan 0.000 0.469 366 E N -0.838 119.445 120.200 0.138 0.000 2.150 366 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 366 E C 1.830 178.513 176.600 0.139 0.000 0.985 366 E CA 1.135 57.606 56.400 0.119 0.000 0.814 366 E CB -0.168 29.589 29.700 0.096 0.000 0.752 366 E HN 0.788 nan 8.360 nan 0.000 0.466 367 H N -1.386 117.740 119.070 0.094 0.000 2.326 367 H HA -0.168 4.388 4.556 -0.000 0.000 0.301 367 H C 1.922 177.312 175.328 0.102 0.000 1.081 367 H CA 1.930 58.032 56.048 0.090 0.000 1.334 367 H CB -0.088 29.727 29.762 0.088 0.000 1.385 367 H HN 0.205 nan 8.280 nan 0.000 0.504 368 Y N 1.424 121.852 120.300 0.213 0.000 2.145 368 Y HA -0.220 4.330 4.550 -0.000 0.000 0.286 368 Y C 1.873 177.816 175.900 0.071 0.000 1.145 368 Y CA 1.957 60.137 58.100 0.133 0.000 1.148 368 Y CB -0.383 38.126 38.460 0.080 0.000 0.981 368 Y HN 0.314 nan 8.280 nan 0.000 0.507 369 D N -0.479 119.954 120.400 0.055 0.000 2.092 369 D HA -0.190 4.450 4.640 -0.000 0.000 0.193 369 D C 2.437 178.683 176.300 -0.091 0.000 0.994 369 D CA 1.906 55.879 54.000 -0.046 0.000 0.828 369 D CB -0.659 40.174 40.800 0.054 0.000 0.963 369 D HN 0.302 nan 8.370 nan 0.000 0.450 370 V N 1.306 121.192 119.914 -0.045 0.000 2.343 370 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 370 V C 2.485 178.513 176.094 -0.111 0.000 1.051 370 V CA 1.861 64.132 62.300 -0.049 0.000 1.036 370 V CB -0.846 30.966 31.823 -0.019 0.000 0.654 370 V HN 0.203 nan 8.190 nan 0.000 0.451 371 A N -0.437 122.290 122.820 -0.156 0.000 1.898 371 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 371 A C 2.376 179.843 177.584 -0.195 0.000 1.181 371 A CA 1.283 53.212 52.037 -0.180 0.000 0.620 371 A CB -0.436 18.502 19.000 -0.103 0.000 0.819 371 A HN 0.372 nan 8.150 nan 0.000 0.442 372 R N -0.626 119.701 120.500 -0.288 0.000 2.092 372 R HA -0.104 4.236 4.340 -0.000 0.000 0.231 372 R C 2.327 178.529 176.300 -0.163 0.000 1.119 372 R CA 1.265 57.188 56.100 -0.294 0.000 0.970 372 R CB -1.044 28.961 30.300 -0.492 0.000 0.864 372 R HN 0.544 nan 8.270 nan 0.000 0.440 373 G N 0.011 108.734 108.800 -0.129 0.000 2.408 373 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 373 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 373 G C 1.517 176.387 174.900 -0.049 0.000 1.150 373 G CA 0.451 45.511 45.100 -0.067 0.000 0.776 373 G HN 0.153 nan 8.290 nan 0.000 0.542 374 V N 0.281 120.153 119.914 -0.070 0.000 2.453 374 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 374 V C 2.855 178.913 176.094 -0.061 0.000 1.048 374 V CA 1.957 64.219 62.300 -0.063 0.000 1.049 374 V CB -0.447 31.285 31.823 -0.151 0.000 0.672 374 V HN 0.394 nan 8.190 nan 0.000 0.457 375 Q N -0.170 119.583 119.800 -0.079 0.000 2.050 375 Q HA -0.276 4.064 4.340 -0.000 0.000 0.202 375 Q C 2.350 178.331 176.000 -0.032 0.000 0.980 375 Q CA 1.949 57.717 55.803 -0.058 0.000 0.840 375 Q CB -0.217 28.479 28.738 -0.072 0.000 0.898 375 Q HN 0.447 nan 8.270 nan 0.000 0.424 376 K N 1.219 121.597 120.400 -0.037 0.000 2.032 376 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 376 K C 1.665 178.268 176.600 0.004 0.000 1.048 376 K CA 1.237 57.513 56.287 -0.018 0.000 0.927 376 K CB -0.428 32.057 32.500 -0.025 0.000 0.712 376 K HN 0.192 nan 8.250 nan 0.000 0.441 377 I N 0.111 120.684 120.570 0.005 0.000 2.614 377 I HA -0.159 4.011 4.170 -0.000 0.000 0.258 377 I C 1.522 177.673 176.117 0.057 0.000 1.189 377 I CA 0.751 62.066 61.300 0.025 0.000 1.462 377 I CB 0.171 38.176 38.000 0.009 0.000 1.092 377 I HN 0.189 nan 8.210 nan 0.000 0.442 378 L N -0.493 120.757 121.223 0.044 0.000 2.209 378 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 378 L C 2.363 179.301 176.870 0.112 0.000 1.094 378 L CA 0.867 55.756 54.840 0.081 0.000 0.790 378 L CB -0.336 41.745 42.059 0.037 0.000 0.932 378 L HN 0.222 nan 8.230 nan 0.000 0.447 379 Q N -0.278 119.556 119.800 0.058 0.000 2.123 379 Q HA -0.168 4.172 4.340 -0.000 0.000 0.199 379 Q C 1.595 177.619 176.000 0.039 0.000 0.966 379 Q CA 1.224 57.049 55.803 0.038 0.000 0.845 379 Q CB 0.104 28.849 28.738 0.012 0.000 0.907 379 Q HN 0.384 nan 8.270 nan 0.000 0.439 380 D N -0.355 120.076 120.400 0.051 0.000 2.178 380 D HA -0.155 4.485 4.640 -0.000 0.000 0.202 380 D C 1.479 177.821 176.300 0.070 0.000 0.974 380 D CA 0.803 54.830 54.000 0.045 0.000 0.841 380 D CB -0.149 40.677 40.800 0.042 0.000 0.953 380 D HN 0.248 nan 8.370 nan 0.000 0.478 381 Y N 1.663 121.954 120.300 -0.014 0.000 2.224 381 Y HA -0.135 4.415 4.550 -0.000 0.000 0.289 381 Y C 2.094 177.985 175.900 -0.014 0.000 1.146 381 Y CA 1.467 59.559 58.100 -0.014 0.000 1.182 381 Y CB 0.048 38.500 38.460 -0.013 0.000 0.983 381 Y HN -0.197 nan 8.280 nan 0.000 0.524 382 K N -0.616 119.732 120.400 -0.087 0.000 2.155 382 K HA -0.102 4.218 4.320 -0.000 0.000 0.203 382 K C 2.139 178.653 176.600 -0.144 0.000 1.052 382 K CA 1.260 57.451 56.287 -0.159 0.000 0.948 382 K CB -0.077 32.400 32.500 -0.038 0.000 0.728 382 K HN 0.277 nan 8.250 nan 0.000 0.448 383 S N 1.095 116.743 115.700 -0.087 0.000 2.383 383 S HA -0.030 4.440 4.470 -0.000 0.000 0.227 383 S C 1.601 176.148 174.600 -0.088 0.000 1.026 383 S CA 0.809 58.968 58.200 -0.068 0.000 0.981 383 S CB -0.010 63.169 63.200 -0.034 0.000 0.818 383 S HN 0.271 nan 8.310 nan 0.000 0.472 384 L N 1.066 122.221 121.223 -0.114 0.000 2.591 384 L HA 0.109 4.449 4.340 -0.000 0.000 0.228 384 L C 2.301 179.064 176.870 -0.178 0.000 1.133 384 L CA 0.328 55.101 54.840 -0.112 0.000 0.880 384 L CB -0.329 41.692 42.059 -0.063 0.000 1.033 384 L HN 0.301 nan 8.230 nan 0.000 0.450 385 Q N -0.007 119.633 119.800 -0.267 0.000 2.172 385 Q HA -0.169 4.171 4.340 -0.000 0.000 0.200 385 Q C 1.442 177.353 176.000 -0.149 0.000 0.964 385 Q CA 1.148 56.788 55.803 -0.272 0.000 0.855 385 Q CB 0.128 28.665 28.738 -0.335 0.000 0.918 385 Q HN 0.499 nan 8.270 nan 0.000 0.444 386 D N 0.537 120.868 120.400 -0.115 0.000 2.117 386 D HA -0.092 4.548 4.640 -0.000 0.000 0.197 386 D C 0.998 177.262 176.300 -0.061 0.000 0.987 386 D CA 0.921 54.876 54.000 -0.075 0.000 0.829 386 D CB 0.065 40.828 40.800 -0.060 0.000 0.961 386 D HN 0.213 nan 8.370 nan 0.000 0.460 397 S N -0.706 114.995 115.700 0.002 0.000 2.641 397 S HA 0.260 4.730 4.470 -0.000 0.000 0.261 397 S C 0.670 175.273 174.600 0.004 0.000 1.257 397 S CA -0.556 57.646 58.200 0.002 0.000 0.983 397 S CB 1.072 64.273 63.200 0.002 0.000 0.990 397 S HN 0.665 nan 8.310 nan 0.000 0.572 398 E N 0.555 120.757 120.200 0.004 0.000 2.150 398 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 398 E C 1.838 178.441 176.600 0.006 0.000 0.985 398 E CA 1.159 57.561 56.400 0.004 0.000 0.814 398 E CB -0.294 29.407 29.700 0.003 0.000 0.752 398 E HN 0.865 nan 8.360 nan 0.000 0.466 399 E N 0.467 120.671 120.200 0.006 0.000 2.112 399 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 399 E C 1.372 177.978 176.600 0.011 0.000 0.979 399 E CA 0.708 57.112 56.400 0.007 0.000 0.814 399 E CB 0.255 29.958 29.700 0.006 0.000 0.762 399 E HN 0.102 nan 8.360 nan 0.000 0.460 400 D N 0.504 120.912 120.400 0.012 0.000 2.149 400 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 400 D C 1.714 178.030 176.300 0.028 0.000 0.972 400 D CA 0.870 54.882 54.000 0.019 0.000 0.835 400 D CB 0.040 40.847 40.800 0.012 0.000 0.966 400 D HN 0.119 nan 8.370 nan 0.000 0.476 401 K N 0.215 120.627 120.400 0.021 0.000 2.097 401 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 401 K C 2.056 178.668 176.600 0.020 0.000 1.049 401 K CA 0.324 56.625 56.287 0.023 0.000 0.933 401 K CB -0.055 32.453 32.500 0.013 0.000 0.717 401 K HN 0.008 nan 8.250 nan 0.000 0.442 402 L N 1.094 122.324 121.223 0.013 0.000 2.093 402 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 402 L C 2.299 179.172 176.870 0.004 0.000 1.085 402 L CA 1.879 56.721 54.840 0.005 0.000 0.755 402 L CB -0.635 41.426 42.059 0.003 0.000 0.904 402 L HN 0.275 nan 8.230 nan 0.000 0.435 403 T N -5.086 109.479 114.554 0.019 0.000 2.995 403 T HA -0.060 4.289 4.350 -0.000 0.000 0.269 403 T C 1.818 176.548 174.700 0.050 0.000 1.091 403 T CA 1.083 63.199 62.100 0.027 0.000 1.128 403 T CB -0.664 68.227 68.868 0.038 0.000 0.891 403 T HN 0.112 nan 8.240 nan 0.000 0.492 404 V N 2.656 122.617 119.914 0.080 0.000 2.346 404 V HA -0.120 4.000 4.120 -0.000 0.000 0.244 404 V C 3.179 179.272 176.094 -0.001 0.000 1.037 404 V CA 1.953 64.346 62.300 0.155 0.000 1.029 404 V CB -0.691 31.248 31.823 0.193 0.000 0.663 404 V HN 0.747 nan 8.190 nan 0.000 0.454 405 S N 0.229 115.918 115.700 -0.018 0.000 2.402 405 S HA -0.197 4.273 4.470 -0.000 0.000 0.229 405 S C 2.053 176.574 174.600 -0.131 0.000 1.021 405 S CA 1.142 59.301 58.200 -0.069 0.000 0.974 405 S CB -0.463 62.713 63.200 -0.041 0.000 0.800 405 S HN 0.523 nan 8.310 nan 0.000 0.484 406 R N 1.363 121.797 120.500 -0.109 0.000 2.081 406 R HA 0.078 4.418 4.340 -0.000 0.000 0.235 406 R C 2.735 178.933 176.300 -0.170 0.000 1.131 406 R CA 1.387 57.406 56.100 -0.134 0.000 0.960 406 R CB -0.707 29.549 30.300 -0.074 0.000 0.856 406 R HN 0.581 nan 8.270 nan 0.000 0.436 407 A N 0.842 123.553 122.820 -0.182 0.000 1.929 407 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 407 A C 2.027 179.379 177.584 -0.386 0.000 1.176 407 A CA 0.944 52.830 52.037 -0.253 0.000 0.628 407 A CB -0.251 18.588 19.000 -0.269 0.000 0.816 407 A HN 0.190 nan 8.150 nan 0.000 0.444 408 R N -0.300 119.922 120.500 -0.465 0.000 2.115 408 R HA -0.062 4.278 4.340 -0.000 0.000 0.230 408 R C 1.998 178.164 176.300 -0.223 0.000 1.111 408 R CA 1.493 57.364 56.100 -0.381 0.000 0.976 408 R CB -0.186 29.941 30.300 -0.288 0.000 0.870 408 R HN 0.457 nan 8.270 nan 0.000 0.445 409 K N 0.208 120.449 120.400 -0.264 0.000 2.217 409 K HA -0.022 4.298 4.320 -0.000 0.000 0.202 409 K C 1.921 178.360 176.600 -0.269 0.000 1.051 409 K CA 0.807 56.868 56.287 -0.377 0.000 0.952 409 K CB 0.084 32.142 32.500 -0.738 0.000 0.736 409 K HN 0.132 nan 8.250 nan 0.000 0.453 410 I N 1.219 121.701 120.570 -0.147 0.000 2.286 410 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 410 I C 2.318 178.540 176.117 0.176 0.000 1.104 410 I CA 1.172 62.526 61.300 0.090 0.000 1.397 410 I CB -0.043 38.031 38.000 0.123 0.000 1.072 410 I HN 0.187 nan 8.210 nan 0.000 0.417 411 Q N 0.214 120.032 119.800 0.029 0.000 2.112 411 Q HA -0.264 4.076 4.340 -0.000 0.000 0.206 411 Q C 2.342 178.406 176.000 0.107 0.000 0.987 411 Q CA 1.694 57.520 55.803 0.038 0.000 0.858 411 Q CB -0.114 28.592 28.738 -0.053 0.000 0.905 411 Q HN 0.384 nan 8.270 nan 0.000 0.420 412 R N -0.577 120.001 120.500 0.130 0.000 2.093 412 R HA -0.062 4.278 4.340 -0.000 0.000 0.224 412 R C 1.739 178.200 176.300 0.269 0.000 1.101 412 R CA 0.818 57.061 56.100 0.239 0.000 0.979 412 R CB -0.210 30.258 30.300 0.279 0.000 0.877 412 R HN 0.158 nan 8.270 nan 0.000 0.441 413 F N 0.435 120.437 119.950 0.087 0.000 2.604 413 F HA 0.061 4.588 4.527 -0.000 0.000 0.298 413 F C 1.240 177.108 175.800 0.114 0.000 1.131 413 F CA 0.759 58.761 58.000 0.003 0.000 1.457 413 F CB 0.127 38.979 39.000 -0.247 0.000 1.095 413 F HN -0.058 nan 8.300 nan 0.000 0.574 414 L N -0.526 120.850 121.223 0.255 0.000 2.313 414 L HA -0.038 4.301 4.340 -0.000 0.000 0.214 414 L C 1.522 178.409 176.870 0.029 0.000 1.119 414 L CA 0.399 55.372 54.840 0.221 0.000 0.809 414 L CB -0.710 41.461 42.059 0.187 0.000 0.933 414 L HN 0.114 nan 8.230 nan 0.000 0.449 415 S N -0.450 115.245 115.700 -0.008 0.000 2.603 415 S HA 0.325 4.795 4.470 -0.000 0.000 0.268 415 S C -0.318 174.174 174.600 -0.181 0.000 1.317 415 S CA -0.491 57.650 58.200 -0.098 0.000 1.012 415 S CB 1.787 64.927 63.200 -0.101 0.000 0.926 415 S HN 0.263 nan 8.310 nan 0.000 0.539 416 Q N 0.587 120.243 119.800 -0.240 0.000 2.327 416 Q HA 0.402 4.742 4.340 -0.000 0.000 0.265 416 Q C -3.075 172.752 176.000 -0.289 0.000 0.993 416 Q CA -1.908 53.762 55.803 -0.223 0.000 0.885 416 Q CB 2.326 30.990 28.738 -0.122 0.000 1.379 416 Q HN 0.556 nan 8.270 nan 0.000 0.408 417 P HA 0.161 nan 4.420 nan 0.000 0.281 417 P C -1.044 176.354 177.300 0.162 0.000 1.252 417 P CA 0.283 63.377 63.100 -0.009 0.000 0.778 417 P CB 0.319 32.145 31.700 0.210 0.000 0.895 418 F N 1.311 121.286 119.950 0.042 0.000 2.399 418 F HA 0.222 4.749 4.527 -0.000 0.000 0.334 418 F C 2.242 178.063 175.800 0.034 0.000 1.097 418 F CA -0.744 57.275 58.000 0.032 0.000 1.076 418 F CB 1.870 40.886 39.000 0.026 0.000 1.162 418 F HN 0.386 nan 8.300 nan 0.000 0.495 419 Q N 1.521 121.439 119.800 0.197 0.000 2.170 419 Q HA -0.120 4.220 4.340 -0.000 0.000 0.203 419 Q C 1.656 177.702 176.000 0.076 0.000 0.976 419 Q CA 1.250 57.107 55.803 0.091 0.000 0.858 419 Q CB 0.159 28.914 28.738 0.029 0.000 0.907 419 Q HN 0.653 nan 8.270 nan 0.000 0.433 420 V N 0.373 120.332 119.914 0.074 0.000 2.667 420 V HA -0.089 4.030 4.120 -0.000 0.000 0.252 420 V C 1.156 177.305 176.094 0.093 0.000 1.065 420 V CA 1.343 63.673 62.300 0.050 0.000 1.083 420 V CB -0.085 31.738 31.823 0.000 0.000 0.692 420 V HN 0.370 nan 8.190 nan 0.000 0.468 421 A N -0.612 122.305 122.820 0.161 0.000 3.245 421 A HA 0.364 4.684 4.320 -0.000 0.000 0.282 421 A C 1.152 178.839 177.584 0.172 0.000 1.417 421 A CA -0.193 51.950 52.037 0.178 0.000 1.149 421 A CB -0.213 18.899 19.000 0.188 0.000 1.155 421 A HN 0.513 nan 8.150 nan 0.000 0.602 422 E N -0.639 119.640 120.200 0.132 0.000 2.290 422 E HA 0.002 4.352 4.350 -0.000 0.000 0.199 422 E C 1.337 177.986 176.600 0.083 0.000 0.912 422 E CA 0.495 56.954 56.400 0.098 0.000 0.924 422 E CB 0.398 30.138 29.700 0.066 0.000 0.901 422 E HN 0.440 nan 8.360 nan 0.000 0.487 423 V N 1.179 121.150 119.914 0.094 0.000 2.591 423 V HA -0.155 3.965 4.120 -0.000 0.000 0.249 423 V C 1.896 178.061 176.094 0.118 0.000 1.053 423 V CA 1.193 63.541 62.300 0.082 0.000 1.068 423 V CB -0.330 31.535 31.823 0.069 0.000 0.689 423 V HN 0.226 nan 8.190 nan 0.000 0.462 424 F N 2.165 122.117 119.950 0.004 0.000 2.163 424 F HA -0.156 4.371 4.527 -0.000 0.000 0.297 424 F C 2.451 178.252 175.800 0.002 0.000 1.094 424 F CA 2.110 60.109 58.000 -0.002 0.000 1.290 424 F CB -0.384 38.610 39.000 -0.010 0.000 1.017 424 F HN 0.301 nan 8.300 nan 0.000 0.483 425 T N -3.730 110.775 114.554 -0.081 0.000 3.004 425 T HA 0.399 4.748 4.350 -0.000 0.000 0.243 425 T C 1.920 176.579 174.700 -0.068 0.000 1.020 425 T CA 0.808 62.810 62.100 -0.163 0.000 1.145 425 T CB -0.110 68.746 68.868 -0.020 0.000 0.876 425 T HN 0.569 nan 8.240 nan 0.000 0.449 426 G N 0.811 109.615 108.800 0.007 0.000 2.232 426 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.226 426 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.226 426 G C 0.013 174.936 174.900 0.039 0.000 0.996 426 G CA 0.192 45.299 45.100 0.012 0.000 0.626 426 G HN 0.964 nan 8.290 nan 0.000 0.509 427 H N 0.658 119.713 119.070 -0.025 0.000 2.803 427 H HA 0.560 5.116 4.556 -0.000 0.000 0.330 427 H C 0.816 176.142 175.328 -0.004 0.000 1.057 427 H CA -0.261 55.775 56.048 -0.020 0.000 1.458 427 H CB 0.562 30.306 29.762 -0.030 0.000 1.470 427 H HN 0.321 nan 8.280 nan 0.000 0.560 428 L N 5.146 126.208 121.223 -0.269 0.000 2.477 428 L HA 0.170 4.510 4.340 -0.000 0.000 0.272 428 L C 0.757 177.614 176.870 -0.021 0.000 1.157 428 L CA 0.153 54.915 54.840 -0.130 0.000 0.889 428 L CB 0.073 42.031 42.059 -0.169 0.000 1.158 428 L HN 0.837 nan 8.230 nan 0.000 0.473 429 G N 4.830 113.662 108.800 0.054 0.000 2.467 429 G HA2 0.307 4.267 3.960 -0.000 0.000 0.257 429 G HA3 0.307 4.267 3.960 -0.000 0.000 0.257 429 G C -0.821 174.129 174.900 0.083 0.000 1.227 429 G CA -0.572 44.597 45.100 0.115 0.000 0.835 429 G HN 0.464 nan 8.290 nan 0.000 0.556 430 K N 0.909 121.378 120.400 0.115 0.000 2.378 430 K HA 0.370 4.690 4.320 -0.000 0.000 0.252 430 K C -1.345 175.306 176.600 0.084 0.000 0.931 430 K CA -0.982 55.349 56.287 0.073 0.000 0.794 430 K CB 2.581 35.109 32.500 0.048 0.000 1.181 430 K HN 0.334 nan 8.250 nan 0.000 0.425 431 L N 2.951 124.201 121.223 0.044 0.000 2.276 431 L HA 0.344 4.684 4.340 -0.000 0.000 0.286 431 L C -1.161 175.725 176.870 0.027 0.000 1.024 431 L CA -0.597 54.263 54.840 0.032 0.000 0.826 431 L CB 1.419 43.485 42.059 0.012 0.000 1.211 431 L HN 0.303 nan 8.230 nan 0.000 0.422 432 V N 7.745 127.677 119.914 0.031 0.000 2.350 432 V HA 0.461 4.581 4.120 -0.000 0.000 0.276 432 V C -1.851 174.264 176.094 0.035 0.000 1.028 432 V CA -1.464 60.853 62.300 0.028 0.000 0.860 432 V CB 0.885 32.717 31.823 0.015 0.000 0.990 432 V HN 0.712 nan 8.190 nan 0.000 0.453 433 P HA 0.019 nan 4.420 nan 0.000 0.268 433 P C 0.819 178.152 177.300 0.054 0.000 1.208 433 P CA -0.267 62.852 63.100 0.032 0.000 0.777 433 P CB 1.148 32.862 31.700 0.023 0.000 0.875 434 L N 3.191 124.450 121.223 0.060 0.000 1.989 434 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 434 L C 2.260 179.186 176.870 0.093 0.000 1.071 434 L CA 2.121 57.014 54.840 0.089 0.000 0.749 434 L CB -1.032 41.093 42.059 0.109 0.000 0.890 434 L HN 0.305 nan 8.230 nan 0.000 0.431 435 K N -0.898 119.551 120.400 0.081 0.000 2.211 435 K HA -0.120 4.200 4.320 -0.000 0.000 0.203 435 K C 1.983 178.635 176.600 0.087 0.000 1.050 435 K CA 0.994 57.329 56.287 0.080 0.000 0.945 435 K CB -0.094 32.445 32.500 0.065 0.000 0.732 435 K HN 0.323 nan 8.250 nan 0.000 0.451 436 E N 0.260 120.511 120.200 0.085 0.000 2.150 436 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 436 E C 1.887 178.580 176.600 0.155 0.000 0.985 436 E CA 1.189 57.650 56.400 0.101 0.000 0.814 436 E CB -0.030 29.718 29.700 0.079 0.000 0.752 436 E HN 0.272 nan 8.360 nan 0.000 0.466 437 T N 1.387 116.037 114.554 0.158 0.000 2.770 437 T HA -0.049 4.301 4.350 -0.000 0.000 0.263 437 T C 2.150 177.053 174.700 0.338 0.000 1.039 437 T CA 0.841 63.091 62.100 0.250 0.000 1.142 437 T CB -0.171 68.802 68.868 0.177 0.000 0.868 437 T HN 0.098 nan 8.240 nan 0.000 0.435 438 I N 1.861 122.531 120.570 0.167 0.000 2.163 438 I HA -0.245 3.925 4.170 -0.000 0.000 0.243 438 I C 2.580 178.796 176.117 0.166 0.000 1.085 438 I CA 1.566 62.930 61.300 0.106 0.000 1.347 438 I CB -0.428 37.576 38.000 0.007 0.000 1.044 438 I HN 0.341 nan 8.210 nan 0.000 0.408 439 K N 1.321 121.806 120.400 0.141 0.000 2.288 439 K HA -0.014 4.306 4.320 -0.000 0.000 0.201 439 K C 2.068 178.738 176.600 0.116 0.000 1.048 439 K CA 1.333 57.690 56.287 0.117 0.000 0.956 439 K CB -0.591 31.963 32.500 0.090 0.000 0.746 439 K HN 0.300 nan 8.250 nan 0.000 0.461 440 G N 1.056 109.950 108.800 0.158 0.000 2.404 440 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.215 440 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.215 440 G C 1.037 175.858 174.900 -0.132 0.000 1.174 440 G CA 0.465 45.579 45.100 0.024 0.000 0.780 440 G HN 0.295 nan 8.290 nan 0.000 0.537 441 F N 0.458 120.506 119.950 0.163 0.000 2.558 441 F HA 0.121 4.648 4.527 -0.000 0.000 0.298 441 F C 2.787 178.602 175.800 0.026 0.000 1.119 441 F CA 1.034 59.091 58.000 0.095 0.000 1.451 441 F CB 0.042 39.110 39.000 0.113 0.000 1.091 441 F HN 0.162 nan 8.300 nan 0.000 0.563 442 Q N 0.159 120.070 119.800 0.185 0.000 2.123 442 Q HA -0.188 4.152 4.340 -0.000 0.000 0.199 442 Q C 1.969 178.019 176.000 0.082 0.000 0.966 442 Q CA 1.250 57.120 55.803 0.111 0.000 0.845 442 Q CB -0.021 28.773 28.738 0.094 0.000 0.907 442 Q HN 0.452 nan 8.270 nan 0.000 0.439 443 Q N -0.376 119.477 119.800 0.088 0.000 2.378 443 Q HA -0.037 4.303 4.340 -0.000 0.000 0.205 443 Q C 1.710 177.805 176.000 0.158 0.000 0.954 443 Q CA 0.620 56.508 55.803 0.140 0.000 0.901 443 Q CB 0.296 29.200 28.738 0.277 0.000 0.981 443 Q HN 0.464 nan 8.270 nan 0.000 0.483 444 I N -0.360 120.238 120.570 0.047 0.000 2.494 444 I HA -0.184 3.986 4.170 -0.000 0.000 0.250 444 I C 1.840 177.948 176.117 -0.016 0.000 1.112 444 I CA 0.596 61.877 61.300 -0.033 0.000 1.438 444 I CB 0.003 37.874 38.000 -0.216 0.000 1.111 444 I HN 0.137 nan 8.210 nan 0.000 0.431 445 L N 0.890 122.124 121.223 0.019 0.000 2.131 445 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 445 L C 2.604 179.480 176.870 0.010 0.000 1.092 445 L CA 1.210 56.061 54.840 0.018 0.000 0.759 445 L CB -0.532 41.548 42.059 0.036 0.000 0.903 445 L HN 0.237 nan 8.230 nan 0.000 0.435 446 A N -0.514 122.315 122.820 0.016 0.000 2.206 446 A HA 0.205 4.525 4.320 -0.000 0.000 0.211 446 A C 1.785 179.364 177.584 -0.008 0.000 1.158 446 A CA 0.778 52.818 52.037 0.004 0.000 0.761 446 A CB -0.566 18.437 19.000 0.005 0.000 0.801 446 A HN 0.524 nan 8.150 nan 0.000 0.473 447 G N -0.525 108.272 108.800 -0.005 0.000 2.153 447 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.252 447 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.252 447 G C 0.468 175.353 174.900 -0.026 0.000 0.994 447 G CA 0.663 45.757 45.100 -0.010 0.000 0.698 447 G HN 0.629 nan 8.290 nan 0.000 0.521 448 E N -1.346 118.821 120.200 -0.056 0.000 2.274 448 E HA 0.024 4.374 4.350 -0.000 0.000 0.194 448 E C 1.171 177.557 176.600 -0.357 0.000 0.996 448 E CA 0.857 57.130 56.400 -0.212 0.000 0.840 448 E CB 0.013 29.548 29.700 -0.275 0.000 0.772 448 E HN 0.770 nan 8.360 nan 0.000 0.491 449 Y N -0.572 119.746 120.300 0.029 0.000 2.612 449 Y HA 0.119 4.669 4.550 -0.000 0.000 0.250 449 Y C 0.594 176.540 175.900 0.076 0.000 1.175 449 Y CA -0.347 57.812 58.100 0.100 0.000 1.205 449 Y CB 0.750 39.338 38.460 0.214 0.000 1.201 449 Y HN -0.066 nan 8.280 nan 0.000 0.532 450 D N -0.980 119.491 120.400 0.117 0.000 2.378 450 D HA -0.134 4.506 4.640 -0.000 0.000 0.227 450 D C 1.920 178.275 176.300 0.092 0.000 1.012 450 D CA 0.824 54.863 54.000 0.064 0.000 0.905 450 D CB -0.041 40.770 40.800 0.018 0.000 0.895 450 D HN 0.424 nan 8.370 nan 0.000 0.532 451 H N -0.181 118.906 119.070 0.028 0.000 2.502 451 H HA 0.127 4.683 4.556 -0.000 0.000 0.283 451 H C 0.330 175.695 175.328 0.062 0.000 1.015 451 H CA 0.515 56.576 56.048 0.022 0.000 1.298 451 H CB 0.371 30.124 29.762 -0.016 0.000 1.411 451 H HN 0.127 nan 8.280 nan 0.000 0.556 452 L N 2.032 123.371 121.223 0.192 0.000 2.358 452 L HA 0.318 4.658 4.340 -0.000 0.000 0.268 452 L C -1.784 175.189 176.870 0.172 0.000 1.032 452 L CA -2.131 52.822 54.840 0.189 0.000 0.805 452 L CB 1.628 43.874 42.059 0.312 0.000 1.253 452 L HN 0.112 nan 8.230 nan 0.000 0.452 453 P HA -0.023 nan 4.420 nan 0.000 0.272 453 P C -0.127 177.301 177.300 0.214 0.000 1.254 453 P CA -0.072 63.099 63.100 0.118 0.000 0.795 453 P CB 1.011 32.758 31.700 0.077 0.000 1.022 454 E N -0.280 120.006 120.200 0.144 0.000 2.057 454 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 454 E C 1.559 178.300 176.600 0.234 0.000 0.969 454 E CA 0.413 56.899 56.400 0.143 0.000 0.812 454 E CB -0.035 29.685 29.700 0.033 0.000 0.777 454 E HN 0.270 nan 8.360 nan 0.000 0.455 455 Q N -0.121 119.768 119.800 0.149 0.000 2.482 455 Q HA 0.065 4.405 4.340 -0.000 0.000 0.209 455 Q C 1.367 177.471 176.000 0.173 0.000 0.961 455 Q CA 0.614 56.504 55.803 0.144 0.000 0.945 455 Q CB 0.681 29.454 28.738 0.059 0.000 1.012 455 Q HN 0.297 nan 8.270 nan 0.000 0.515 456 A N -0.839 122.071 122.820 0.150 0.000 2.167 456 A HA -0.014 4.306 4.320 -0.000 0.000 0.214 456 A C 1.178 178.686 177.584 -0.127 0.000 1.151 456 A CA 0.410 52.439 52.037 -0.013 0.000 0.735 456 A CB -0.277 18.649 19.000 -0.124 0.000 0.802 456 A HN 0.218 nan 8.150 nan 0.000 0.467 457 F N -2.461 117.521 119.950 0.054 0.000 2.749 457 F HA 0.224 4.751 4.527 -0.000 0.000 0.300 457 F C 0.597 176.500 175.800 0.172 0.000 1.103 457 F CA -0.394 57.657 58.000 0.086 0.000 1.342 457 F CB -0.052 38.959 39.000 0.020 0.000 1.098 457 F HN 0.295 nan 8.300 nan 0.000 0.586 458 Y N 1.446 121.842 120.300 0.161 0.000 2.335 458 Y HA 0.319 4.869 4.550 -0.000 0.000 0.331 458 Y C 0.664 176.586 175.900 0.036 0.000 1.094 458 Y CA -1.534 56.615 58.100 0.083 0.000 1.253 458 Y CB 0.310 38.798 38.460 0.046 0.000 1.203 458 Y HN 0.046 nan 8.280 nan 0.000 0.508 459 M N 5.911 125.149 119.600 -0.603 0.000 2.350 459 M HA -0.162 4.318 4.480 -0.000 0.000 0.190 459 M C -1.238 174.961 176.300 -0.169 0.000 0.710 459 M CA 0.950 55.919 55.300 -0.552 0.000 0.495 459 M CB -2.644 29.427 32.600 -0.882 0.000 1.136 459 M HN 0.433 nan 8.290 nan 0.000 0.901 460 V N -3.218 116.647 119.914 -0.080 0.000 3.158 460 V HA 1.081 5.201 4.120 -0.000 0.000 0.311 460 V C 0.718 176.786 176.094 -0.042 0.000 1.181 460 V CA -0.196 62.106 62.300 0.003 0.000 1.054 460 V CB 1.593 33.431 31.823 0.024 0.000 1.085 460 V HN 0.412 nan 8.190 nan 0.000 0.446 461 G N -0.028 108.765 108.800 -0.012 0.000 3.226 461 G HA2 0.457 4.416 3.960 -0.000 0.000 0.190 461 G HA3 0.457 4.416 3.960 -0.000 0.000 0.190 461 G C -2.245 172.644 174.900 -0.018 0.000 1.988 461 G CA -0.381 44.699 45.100 -0.033 0.000 0.859 461 G HN 0.756 nan 8.290 nan 0.000 0.631 462 P HA 0.122 nan 4.420 nan 0.000 0.272 462 P C 0.851 178.242 177.300 0.151 0.000 1.223 462 P CA -0.275 62.884 63.100 0.097 0.000 0.784 462 P CB 1.671 33.401 31.700 0.050 0.000 0.923 463 I N 0.963 121.647 120.570 0.190 0.000 2.423 463 I HA -0.280 3.890 4.170 -0.000 0.000 0.254 463 I C 1.664 177.675 176.117 -0.176 0.000 1.151 463 I CA 1.581 62.838 61.300 -0.072 0.000 1.421 463 I CB -0.057 37.771 38.000 -0.287 0.000 1.079 463 I HN 0.289 nan 8.210 nan 0.000 0.431 464 E N 0.795 120.952 120.200 -0.072 0.000 2.267 464 E HA -0.245 4.105 4.350 -0.000 0.000 0.197 464 E C 1.876 178.426 176.600 -0.083 0.000 0.998 464 E CA 1.154 57.514 56.400 -0.066 0.000 0.830 464 E CB -0.061 29.627 29.700 -0.021 0.000 0.751 464 E HN 0.594 nan 8.360 nan 0.000 0.491 465 E N -0.542 119.612 120.200 -0.077 0.000 2.230 465 E HA 0.037 4.387 4.350 -0.000 0.000 0.192 465 E C 1.863 178.378 176.600 -0.143 0.000 0.987 465 E CA 0.601 56.954 56.400 -0.079 0.000 0.841 465 E CB 0.080 29.756 29.700 -0.040 0.000 0.783 465 E HN 0.255 nan 8.360 nan 0.000 0.481 466 A N 0.832 123.505 122.820 -0.245 0.000 1.968 466 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 466 A C 2.366 179.650 177.584 -0.500 0.000 1.169 466 A CA 0.682 52.428 52.037 -0.485 0.000 0.638 466 A CB -0.240 18.235 19.000 -0.875 0.000 0.812 466 A HN 0.086 nan 8.150 nan 0.000 0.446 467 V N -0.218 119.474 119.914 -0.370 0.000 2.379 467 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 467 V C 2.972 179.003 176.094 -0.104 0.000 1.044 467 V CA 1.745 63.930 62.300 -0.191 0.000 1.036 467 V CB -1.189 30.595 31.823 -0.066 0.000 0.664 467 V HN 0.553 nan 8.190 nan 0.000 0.453 468 A N -0.373 122.388 122.820 -0.099 0.000 1.969 468 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 468 A C 2.310 179.857 177.584 -0.062 0.000 1.169 468 A CA 1.802 53.803 52.037 -0.061 0.000 0.635 468 A CB -0.426 18.543 19.000 -0.052 0.000 0.810 468 A HN 0.488 nan 8.150 nan 0.000 0.445 469 K N -0.530 119.813 120.400 -0.094 0.000 2.288 469 K HA 0.051 4.371 4.320 -0.000 0.000 0.201 469 K C 1.834 178.396 176.600 -0.063 0.000 1.048 469 K CA 0.865 57.108 56.287 -0.074 0.000 0.956 469 K CB -0.156 32.290 32.500 -0.090 0.000 0.746 469 K HN 0.421 nan 8.250 nan 0.000 0.461 470 A N 0.535 123.306 122.820 -0.081 0.000 1.997 470 A HA -0.034 4.286 4.320 -0.000 0.000 0.212 470 A C 1.496 179.076 177.584 -0.007 0.000 1.178 470 A CA 0.816 52.831 52.037 -0.036 0.000 0.698 470 A CB -0.017 18.965 19.000 -0.031 0.000 0.842 470 A HN 0.201 nan 8.150 nan 0.000 0.458 471 D N -0.080 120.313 120.400 -0.012 0.000 2.117 471 D HA -0.108 4.532 4.640 -0.000 0.000 0.198 471 D C 1.883 178.182 176.300 -0.002 0.000 0.982 471 D CA 0.936 54.937 54.000 0.000 0.000 0.828 471 D CB 0.006 40.804 40.800 -0.002 0.000 0.967 471 D HN 0.283 nan 8.370 nan 0.000 0.464 472 K N 0.514 120.907 120.400 -0.010 0.000 2.021 472 K HA 0.009 4.329 4.320 -0.000 0.000 0.205 472 K C 0.647 177.246 176.600 -0.002 0.000 1.047 472 K CA 0.340 56.623 56.287 -0.007 0.000 0.943 472 K CB -0.098 32.395 32.500 -0.011 0.000 0.725 472 K HN 0.141 nan 8.250 nan 0.000 0.439 473 L N 1.869 123.090 121.223 -0.003 0.000 2.315 473 L HA 0.268 4.608 4.340 -0.000 0.000 0.278 473 L C -0.004 176.869 176.870 0.005 0.000 1.088 473 L CA -0.648 54.194 54.840 0.003 0.000 0.899 473 L CB 1.200 43.263 42.059 0.007 0.000 1.277 473 L HN 0.077 nan 8.230 nan 0.000 0.431 474 A N 0.000 122.824 122.820 0.007 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.042 52.037 0.009 0.000 0.836 474 A CB 0.000 19.008 19.000 0.013 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486