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 3qdk_1_D DATA FIRST_RESID 5 DATA SEQUENCE KYTIGVDYGT ESGRAVLIDL SNGQELADHV TPYRHGVIDQ YLPNTNIKLG DATA SEQUENCE HEWALQHPLD YVEVLTTSVP AVMKESGVDA DDVIGIGVDF TACTMLPVDE DATA SEQUENCE EGQPLCLLAQ YKDNPHSWVK LWKHHAAQDK ANAINEMAEK RGEAFLPRYG DATA SEQUENCE GKISSEWMIA KVWQILDEAE DVYNRTDQFL EATDWIVSQM TGKIVKNSCT DATA SEQUENCE AGYKAIWHKR EGYPSNEFFK ALDPRLEHLT TTKLRGDIVP LGERAGGLLP DATA SEQUENCE EMAEKMGLNP GIAVAVGNVD AHAAVPAVGV TTPGKLVMAM GTSICHMLLG DATA SEQUENCE EKEQEVEGMC GVVEDGIIPG YLGYEAGQSA VGDIFAWFVK HGVSAATFDE DATA SEQUENCE AQEKGVNVHA LLEEKASQLR PGESGLLALD WWNGNRSILV DTELSGMLLG DATA SEQUENCE YTLQTKPEEI YRALLEATAF GTRAIVDAFH GRGVEVHELY ACGGLPQKNH DATA SEQUENCE LLMQIFADVT NREIKVAASK QTPALGAAMF ASVAAGSEVG GYDSIEEAAK DATA SEQUENCE KMGRVKDETF KPIPEHVAIY EKLYQEYVTL HDYFGRGAND VMKRLKALKS DATA SEQUENCE IQHR 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.233 176.600 -0.612 0.000 0.988 5 K CA 0.000 56.061 56.287 -0.377 0.000 0.838 5 K CB 0.000 32.374 32.500 -0.210 0.000 1.064 6 Y N -0.743 119.551 120.300 -0.010 0.000 2.625 6 Y HA 0.683 5.233 4.550 0.000 0.000 0.338 6 Y C 0.192 176.097 175.900 0.008 0.000 1.123 6 Y CA -0.857 57.245 58.100 0.004 0.000 1.046 6 Y CB 2.596 41.060 38.460 0.006 0.000 1.299 6 Y HN 0.694 nan 8.280 nan 0.000 0.464 7 T N -1.278 113.396 114.554 0.201 0.000 2.896 7 T HA 0.776 5.126 4.350 0.000 0.000 0.297 7 T C -1.243 173.524 174.700 0.112 0.000 1.108 7 T CA -0.722 61.453 62.100 0.125 0.000 1.004 7 T CB 1.672 70.600 68.868 0.099 0.000 1.159 7 T HN 0.523 nan 8.240 nan 0.000 0.499 8 I N 1.163 121.782 120.570 0.082 0.000 2.404 8 I HA 0.599 4.769 4.170 0.000 0.000 0.293 8 I C 0.589 176.745 176.117 0.065 0.000 0.992 8 I CA -0.860 60.477 61.300 0.061 0.000 1.149 8 I CB 1.787 39.812 38.000 0.041 0.000 1.315 8 I HN 0.987 nan 8.210 nan 0.000 0.446 9 G N 5.717 114.548 108.800 0.053 0.000 2.422 9 G HA2 0.565 4.525 3.960 0.000 0.000 0.317 9 G HA3 0.565 4.525 3.960 0.000 0.000 0.317 9 G C -0.938 173.973 174.900 0.018 0.000 1.210 9 G CA -0.293 44.840 45.100 0.055 0.000 0.930 9 G HN 0.331 nan 8.290 nan 0.000 0.468 10 V N 2.859 122.784 119.914 0.018 0.000 2.347 10 V HA 0.249 4.369 4.120 0.000 0.000 0.280 10 V C -0.610 175.401 176.094 -0.138 0.000 1.021 10 V CA -0.821 61.421 62.300 -0.096 0.000 0.847 10 V CB 1.531 33.295 31.823 -0.100 0.000 0.990 10 V HN 0.725 nan 8.190 nan 0.000 0.444 11 D N 3.946 124.223 120.400 -0.206 0.000 2.428 11 D HA 0.234 4.874 4.640 0.000 0.000 0.221 11 D C -0.858 175.266 176.300 -0.293 0.000 1.123 11 D CA -0.310 53.595 54.000 -0.158 0.000 0.869 11 D CB 0.452 41.194 40.800 -0.097 0.000 1.032 11 D HN 0.446 nan 8.370 nan 0.000 0.506 12 Y N 2.236 122.386 120.300 -0.249 0.000 2.504 12 Y HA 0.422 4.972 4.550 0.000 0.000 0.351 12 Y C 1.334 177.039 175.900 -0.325 0.000 0.988 12 Y CA -0.231 57.593 58.100 -0.460 0.000 1.239 12 Y CB 1.267 38.852 38.460 -1.457 0.000 1.128 12 Y HN 0.365 nan 8.280 nan 0.000 0.525 13 G N 1.265 110.057 108.800 -0.014 0.000 2.525 13 G HA2 0.157 4.117 3.960 0.000 0.000 0.287 13 G HA3 0.157 4.117 3.960 0.000 0.000 0.287 13 G C 0.798 175.838 174.900 0.234 0.000 1.350 13 G CA -0.453 44.671 45.100 0.040 0.000 1.039 13 G HN 0.498 nan 8.290 nan 0.000 0.513 14 T N -0.316 114.400 114.554 0.271 0.000 2.857 14 T HA 0.009 4.359 4.350 0.000 0.000 0.266 14 T C 1.656 176.644 174.700 0.481 0.000 1.048 14 T CA 1.527 63.909 62.100 0.471 0.000 1.139 14 T CB -0.023 69.154 68.868 0.515 0.000 0.874 14 T HN 0.571 nan 8.240 nan 0.000 0.455 15 E N 0.335 120.634 120.200 0.165 0.000 2.539 15 E HA 0.194 4.544 4.350 0.000 0.000 0.215 15 E C 0.324 176.514 176.600 -0.684 0.000 0.965 15 E CA -0.086 56.305 56.400 -0.014 0.000 1.019 15 E CB 0.859 30.588 29.700 0.049 0.000 1.059 15 E HN 0.408 nan 8.360 nan 0.000 0.496 16 S N -0.724 114.442 115.700 -0.891 0.000 2.625 16 S HA 0.719 5.189 4.470 0.000 0.000 0.271 16 S C -0.395 173.856 174.600 -0.582 0.000 1.161 16 S CA -0.669 56.990 58.200 -0.901 0.000 0.820 16 S CB 2.019 64.998 63.200 -0.369 0.000 1.137 16 S HN 0.038 nan 8.310 nan 0.000 0.470 17 G N 0.125 108.751 108.800 -0.290 0.000 2.542 17 G HA2 0.685 4.645 3.960 0.000 0.000 0.311 17 G HA3 0.685 4.645 3.960 0.000 0.000 0.311 17 G C -1.451 173.331 174.900 -0.196 0.000 1.298 17 G CA -0.862 44.115 45.100 -0.206 0.000 0.973 17 G HN 0.773 nan 8.290 nan 0.000 0.487 18 R N 1.268 121.625 120.500 -0.237 0.000 2.513 18 R HA 0.659 4.999 4.340 0.000 0.000 0.301 18 R C -0.623 175.600 176.300 -0.128 0.000 0.968 18 R CA -0.619 55.397 56.100 -0.140 0.000 0.872 18 R CB 1.751 31.982 30.300 -0.115 0.000 1.177 18 R HN 0.661 nan 8.270 nan 0.000 0.444 19 A N 3.716 126.505 122.820 -0.052 0.000 2.305 19 A HA 0.564 4.884 4.320 0.000 0.000 0.322 19 A C -0.618 176.962 177.584 -0.006 0.000 1.187 19 A CA -0.608 51.410 52.037 -0.031 0.000 0.825 19 A CB 1.267 20.265 19.000 -0.003 0.000 1.164 19 A HN 0.578 nan 8.150 nan 0.000 0.498 20 V N 1.494 121.404 119.914 -0.005 0.000 2.638 20 V HA 0.732 4.852 4.120 0.000 0.000 0.306 20 V C -0.956 175.146 176.094 0.014 0.000 1.052 20 V CA -0.896 61.407 62.300 0.005 0.000 0.885 20 V CB 1.305 33.130 31.823 0.004 0.000 0.999 20 V HN 0.920 nan 8.190 nan 0.000 0.424 21 L N 6.326 127.551 121.223 0.004 0.000 2.276 21 L HA 0.690 5.030 4.340 0.000 0.000 0.286 21 L C -0.465 176.438 176.870 0.056 0.000 1.061 21 L CA 0.141 54.981 54.840 -0.000 0.000 0.807 21 L CB 0.522 42.528 42.059 -0.089 0.000 1.177 21 L HN 0.727 nan 8.230 nan 0.000 0.429 22 I N 3.856 124.503 120.570 0.128 0.000 2.545 22 I HA 0.276 4.446 4.170 0.000 0.000 0.292 22 I C -0.830 175.457 176.117 0.284 0.000 1.040 22 I CA -0.906 60.493 61.300 0.166 0.000 1.068 22 I CB 2.024 40.085 38.000 0.101 0.000 1.251 22 I HN 0.521 nan 8.210 nan 0.000 0.424 23 D N 4.801 125.356 120.400 0.259 0.000 2.351 23 D HA 0.159 4.799 4.640 0.000 0.000 0.251 23 D C 0.584 176.894 176.300 0.016 0.000 1.137 23 D CA -0.152 53.915 54.000 0.113 0.000 0.879 23 D CB 1.363 42.210 40.800 0.078 0.000 1.181 23 D HN 0.246 nan 8.370 nan 0.000 0.448 24 L N 2.957 124.139 121.223 -0.067 0.000 2.465 24 L HA -0.040 4.300 4.340 0.000 0.000 0.224 24 L C 2.209 179.131 176.870 0.086 0.000 1.145 24 L CA 1.079 55.939 54.840 0.033 0.000 0.834 24 L CB -0.890 41.148 42.059 -0.035 0.000 0.944 24 L HN 0.559 nan 8.230 nan 0.000 0.451 25 S N -0.800 114.898 115.700 -0.003 0.000 2.501 25 S HA 0.029 4.499 4.470 0.000 0.000 0.220 25 S C 1.115 175.731 174.600 0.026 0.000 0.997 25 S CA 0.567 58.782 58.200 0.024 0.000 0.919 25 S CB -0.182 63.001 63.200 -0.028 0.000 0.778 25 S HN 0.594 nan 8.310 nan 0.000 0.523 26 N N -0.914 117.798 118.700 0.019 0.000 2.039 26 N HA 0.236 4.976 4.740 0.000 0.000 0.228 26 N C 0.935 176.454 175.510 0.016 0.000 1.369 26 N CA 0.206 53.264 53.050 0.013 0.000 0.806 26 N CB -0.335 38.160 38.487 0.013 0.000 1.190 26 N HN 0.392 nan 8.380 nan 0.000 0.506 27 G N -1.005 107.811 108.800 0.027 0.000 2.180 27 G HA2 -0.281 3.679 3.960 0.000 0.000 0.263 27 G HA3 -0.281 3.679 3.960 0.000 0.000 0.263 27 G C 0.281 175.204 174.900 0.038 0.000 0.989 27 G CA 0.945 46.062 45.100 0.029 0.000 0.692 27 G HN 0.958 nan 8.290 nan 0.000 0.526 28 Q N -0.012 119.817 119.800 0.048 0.000 2.373 28 Q HA 0.598 4.938 4.340 0.000 0.000 0.255 28 Q C 0.302 176.343 176.000 0.069 0.000 0.980 28 Q CA 0.641 56.475 55.803 0.051 0.000 0.882 28 Q CB 0.179 nan 28.738 nan 0.000 1.249 28 Q HN 0.798 nan 8.270 nan 0.000 0.438 29 E N 1.455 121.685 120.200 0.050 0.000 2.081 29 E HA 0.347 4.697 4.350 0.000 0.000 0.281 29 E C 0.705 177.328 176.600 0.038 0.000 0.986 29 E CA -0.184 56.243 56.400 0.045 0.000 0.796 29 E CB 0.705 30.421 29.700 0.026 0.000 1.085 29 E HN 0.697 nan 8.360 nan 0.000 0.398 30 L N 0.067 121.313 121.223 0.038 0.000 2.529 30 L HA 0.589 4.929 4.340 0.000 0.000 0.223 30 L C 0.502 177.368 176.870 -0.007 0.000 1.113 30 L CA -0.147 54.704 54.840 0.018 0.000 0.861 30 L CB 0.434 42.503 42.059 0.017 0.000 1.012 30 L HN 0.387 nan 8.230 nan 0.000 0.461 31 A N 0.660 123.474 122.820 -0.010 0.000 2.594 31 A HA 0.621 4.941 4.320 0.000 0.000 0.296 31 A C -2.033 175.553 177.584 0.003 0.000 1.056 31 A CA -0.244 51.788 52.037 -0.008 0.000 0.693 31 A CB 1.106 20.090 19.000 -0.027 0.000 1.278 31 A HN 0.352 nan 8.150 nan 0.000 0.408 32 D N 0.239 120.651 120.400 0.020 0.000 2.609 32 D HA 0.638 5.278 4.640 0.000 0.000 0.239 32 D C -1.125 175.222 176.300 0.079 0.000 1.229 32 D CA -0.244 53.775 54.000 0.031 0.000 0.808 32 D CB 1.212 42.014 40.800 0.003 0.000 1.448 32 D HN 0.630 nan 8.370 nan 0.000 0.433 33 H N 0.065 119.112 119.070 -0.037 0.000 2.954 33 H HA 0.554 5.110 4.556 0.000 0.000 0.361 33 H C -1.837 173.464 175.328 -0.045 0.000 1.122 33 H CA -0.742 55.286 56.048 -0.034 0.000 1.217 33 H CB 2.205 31.951 29.762 -0.026 0.000 1.776 33 H HN 0.333 nan 8.280 nan 0.000 0.533 34 V N 4.718 124.378 119.914 -0.424 0.000 2.495 34 V HA 0.508 4.628 4.120 0.000 0.000 0.298 34 V C -0.601 175.365 176.094 -0.214 0.000 1.031 34 V CA -0.146 62.018 62.300 -0.228 0.000 0.871 34 V CB 1.691 33.394 31.823 -0.199 0.000 0.988 34 V HN 0.919 nan 8.190 nan 0.000 0.432 35 T N 6.140 120.679 114.554 -0.026 0.000 2.791 35 T HA 0.622 4.972 4.350 0.000 0.000 0.288 35 T C -2.746 171.951 174.700 -0.006 0.000 0.999 35 T CA -1.909 60.222 62.100 0.051 0.000 0.952 35 T CB 1.587 70.561 68.868 0.177 0.000 0.938 35 T HN 0.609 nan 8.240 nan 0.000 0.444 36 P HA 0.181 nan 4.420 nan 0.000 0.274 36 P C -0.865 176.479 177.300 0.074 0.000 1.231 36 P CA -0.524 62.525 63.100 -0.085 0.000 0.790 36 P CB 0.463 32.137 31.700 -0.044 0.000 0.951 37 Y N 1.420 121.805 120.300 0.142 0.000 2.442 37 Y HA 0.094 4.644 4.550 0.000 0.000 0.330 37 Y C 2.187 178.148 175.900 0.103 0.000 1.129 37 Y CA -0.446 57.757 58.100 0.172 0.000 1.365 37 Y CB 0.040 38.642 38.460 0.237 0.000 1.233 37 Y HN 0.449 nan 8.280 nan 0.000 0.529 38 R N 0.564 121.187 120.500 0.205 0.000 2.237 38 R HA -0.106 4.234 4.340 0.000 0.000 0.219 38 R C -0.120 176.072 176.300 -0.179 0.000 1.080 38 R CA 1.779 57.861 56.100 -0.030 0.000 0.995 38 R CB -0.380 29.830 30.300 -0.150 0.000 0.875 38 R HN 0.716 nan 8.270 nan 0.000 0.462 39 H N -0.124 119.033 119.070 0.145 0.000 2.672 39 H HA 0.320 4.876 4.556 0.000 0.000 0.277 39 H C 1.195 176.630 175.328 0.179 0.000 1.074 39 H CA 0.248 56.381 56.048 0.141 0.000 1.173 39 H CB 0.995 30.853 29.762 0.161 0.000 1.558 39 H HN 0.468 nan 8.280 nan 0.000 0.539 40 G N 0.755 109.747 108.800 0.321 0.000 2.632 40 G HA2 -0.368 3.592 3.960 0.000 0.000 0.322 40 G HA3 -0.368 3.592 3.960 0.000 0.000 0.322 40 G C -0.125 174.971 174.900 0.326 0.000 1.326 40 G CA 0.379 45.670 45.100 0.319 0.000 0.986 40 G HN 0.240 nan 8.290 nan 0.000 0.541 41 V N 0.820 120.879 119.914 0.240 0.000 2.364 41 V HA 0.445 4.565 4.120 0.000 0.000 0.272 41 V C 0.199 176.374 176.094 0.133 0.000 1.036 41 V CA -0.287 62.129 62.300 0.194 0.000 0.880 41 V CB 1.247 33.162 31.823 0.154 0.000 0.991 41 V HN 0.529 nan 8.190 nan 0.000 0.460 42 I N 5.877 126.509 120.570 0.103 0.000 2.256 42 I HA 0.259 4.429 4.170 0.000 0.000 0.294 42 I C 0.663 176.797 176.117 0.028 0.000 1.127 42 I CA 0.203 61.526 61.300 0.039 0.000 1.247 42 I CB 0.550 38.511 38.000 -0.065 0.000 1.460 42 I HN 0.707 nan 8.210 nan 0.000 0.511 43 D N 2.856 123.278 120.400 0.037 0.000 2.503 43 D HA 0.043 4.683 4.640 0.000 0.000 0.218 43 D C 0.858 177.148 176.300 -0.017 0.000 1.183 43 D CA 0.122 54.145 54.000 0.038 0.000 0.827 43 D CB 0.468 41.291 40.800 0.039 0.000 1.034 43 D HN 0.289 nan 8.370 nan 0.000 0.510 44 Q N -0.550 119.223 119.800 -0.045 0.000 2.652 44 Q HA 0.227 4.567 4.340 0.000 0.000 0.211 44 Q C -0.352 175.409 176.000 -0.398 0.000 0.858 44 Q CA 0.685 56.395 55.803 -0.154 0.000 0.895 44 Q CB 0.987 29.764 28.738 0.064 0.000 1.194 44 Q HN 0.256 nan 8.270 nan 0.000 0.645 45 Y N -0.407 119.841 120.300 -0.088 0.000 2.562 45 Y HA 0.369 4.919 4.550 0.000 0.000 0.345 45 Y C -0.476 175.318 175.900 -0.177 0.000 1.045 45 Y CA -1.227 56.796 58.100 -0.128 0.000 1.028 45 Y CB 1.018 39.427 38.460 -0.084 0.000 1.297 45 Y HN -0.074 nan 8.280 nan 0.000 0.463 46 L N 3.997 125.168 121.223 -0.086 0.000 2.485 46 L HA 0.187 4.527 4.340 0.000 0.000 0.275 46 L C -2.145 174.667 176.870 -0.097 0.000 1.207 46 L CA -1.713 52.953 54.840 -0.290 0.000 0.855 46 L CB -0.496 41.374 42.059 -0.314 0.000 1.114 46 L HN 0.385 nan 8.230 nan 0.000 0.485 47 P HA -0.086 nan 4.420 nan 0.000 0.259 47 P C -0.350 177.018 177.300 0.114 0.000 1.155 47 P CA 0.401 63.573 63.100 0.120 0.000 0.759 47 P CB -0.107 31.759 31.700 0.277 0.000 0.753 48 N N 0.241 118.995 118.700 0.090 0.000 2.678 48 N HA -0.232 4.508 4.740 0.000 0.000 0.268 48 N C -0.435 175.091 175.510 0.028 0.000 1.010 48 N CA 1.256 54.334 53.050 0.047 0.000 0.784 48 N CB -1.879 36.649 38.487 0.068 0.000 0.905 48 N HN 0.486 nan 8.380 nan 0.000 0.552 49 T N -0.888 113.663 114.554 -0.005 0.000 2.711 49 T HA 0.474 4.824 4.350 0.000 0.000 0.302 49 T C -0.811 173.853 174.700 -0.061 0.000 1.373 49 T CA -0.789 61.307 62.100 -0.006 0.000 1.000 49 T CB 0.895 69.784 68.868 0.035 0.000 1.483 49 T HN 0.405 nan 8.240 nan 0.000 0.499 50 N N 0.546 119.232 118.700 -0.023 0.000 2.282 50 N HA 0.313 5.053 4.740 0.000 0.000 0.240 50 N C -0.376 175.266 175.510 0.220 0.000 1.182 50 N CA -0.024 53.009 53.050 -0.028 0.000 0.874 50 N CB 0.547 38.997 38.487 -0.062 0.000 1.126 50 N HN 0.445 nan 8.380 nan 0.000 0.516 51 I N 2.253 122.942 120.570 0.197 0.000 2.329 51 I HA 0.080 4.250 4.170 0.000 0.000 0.295 51 I C 0.811 176.961 176.117 0.054 0.000 1.109 51 I CA -0.205 61.151 61.300 0.094 0.000 1.297 51 I CB 0.085 38.087 38.000 0.002 0.000 1.433 51 I HN 0.068 nan 8.210 nan 0.000 0.509 52 K N 7.362 127.714 120.400 -0.080 0.000 2.383 52 K HA 0.326 4.646 4.320 0.000 0.000 0.286 52 K C -0.351 175.952 176.600 -0.495 0.000 1.051 52 K CA -0.476 55.488 56.287 -0.539 0.000 0.974 52 K CB 0.266 32.496 32.500 -0.449 0.000 0.968 52 K HN 0.347 nan 8.250 nan 0.000 0.475 53 L N 2.332 123.212 121.223 -0.572 0.000 2.464 53 L HA 0.437 4.777 4.340 0.000 0.000 0.264 53 L C 1.563 178.077 176.870 -0.592 0.000 1.199 53 L CA -0.092 54.356 54.840 -0.654 0.000 0.818 53 L CB 0.793 42.579 42.059 -0.456 0.000 1.102 53 L HN 0.909 nan 8.230 nan 0.000 0.473 54 G N -0.053 108.201 108.800 -0.910 0.000 2.611 54 G HA2 0.044 4.004 3.960 0.000 0.000 0.273 54 G HA3 0.044 4.004 3.960 0.000 0.000 0.273 54 G C -0.160 174.751 174.900 0.018 0.000 1.305 54 G CA -0.362 44.492 45.100 -0.409 0.000 1.010 54 G HN 0.758 nan 8.290 nan 0.000 0.509 55 H N -0.497 118.615 119.070 0.071 0.000 2.652 55 H HA 0.131 4.687 4.556 0.000 0.000 0.349 55 H C 0.447 175.884 175.328 0.182 0.000 1.099 55 H CA 0.612 56.717 56.048 0.095 0.000 1.417 55 H CB 0.735 30.524 29.762 0.045 0.000 1.457 55 H HN 0.554 nan 8.280 nan 0.000 0.568 56 E N 2.159 122.148 120.200 -0.352 0.000 3.413 56 E HA -0.204 4.146 4.350 0.000 0.000 0.300 56 E C -1.477 174.934 176.600 -0.315 0.000 0.891 56 E CA 0.721 56.875 56.400 -0.409 0.000 1.050 56 E CB -1.540 27.826 29.700 -0.557 0.000 1.534 56 E HN 0.537 nan 8.360 nan 0.000 0.436 57 W N 0.313 121.453 121.300 -0.266 0.000 2.376 57 W HA 0.695 5.355 4.660 0.000 0.000 0.322 57 W C 0.125 176.619 176.519 -0.041 0.000 1.160 57 W CA 0.269 57.542 57.345 -0.120 0.000 1.218 57 W CB 1.483 30.910 29.460 -0.055 0.000 1.205 57 W HN 0.138 nan 8.180 nan 0.000 0.559 58 A N 4.325 127.303 122.820 0.263 0.000 2.611 58 A HA 0.631 4.951 4.320 0.000 0.000 0.282 58 A C -1.690 175.926 177.584 0.054 0.000 1.114 58 A CA -0.470 51.613 52.037 0.077 0.000 0.800 58 A CB 0.139 19.072 19.000 -0.112 0.000 1.325 58 A HN 0.405 nan 8.150 nan 0.000 0.411 59 L N 0.562 121.828 121.223 0.072 0.000 2.298 59 L HA 0.820 5.160 4.340 0.000 0.000 0.268 59 L C 0.284 177.212 176.870 0.096 0.000 1.010 59 L CA -0.416 54.457 54.840 0.055 0.000 0.812 59 L CB 1.419 43.487 42.059 0.015 0.000 1.331 59 L HN 0.851 nan 8.230 nan 0.000 0.450 60 Q N -0.846 119.041 119.800 0.145 0.000 2.426 60 Q HA 0.278 4.618 4.340 0.000 0.000 0.278 60 Q C -1.576 174.518 176.000 0.156 0.000 1.007 60 Q CA -0.653 55.240 55.803 0.150 0.000 0.850 60 Q CB 1.611 30.452 28.738 0.171 0.000 1.427 60 Q HN 0.575 nan 8.270 nan 0.000 0.391 61 H N 4.471 123.542 119.070 0.001 0.000 2.723 61 H HA 0.215 4.771 4.556 0.000 0.000 0.294 61 H C -1.825 173.233 175.328 -0.450 0.000 1.079 61 H CA -1.877 54.129 56.048 -0.069 0.000 1.411 61 H CB 1.548 31.227 29.762 -0.139 0.000 1.439 61 H HN 0.499 nan 8.280 nan 0.000 0.474 62 P HA -0.114 nan 4.420 nan 0.000 0.222 62 P C 1.489 178.716 177.300 -0.122 0.000 1.147 62 P CA 0.614 63.374 63.100 -0.567 0.000 0.790 62 P CB 0.502 31.764 31.700 -0.730 0.000 0.780 63 L N -0.373 120.973 121.223 0.205 0.000 2.291 63 L HA -0.085 4.255 4.340 0.000 0.000 0.214 63 L C 1.958 178.931 176.870 0.172 0.000 1.120 63 L CA 1.104 56.087 54.840 0.238 0.000 0.799 63 L CB -0.859 41.337 42.059 0.229 0.000 0.925 63 L HN -0.074 nan 8.230 nan 0.000 0.446 64 D N -0.306 120.132 120.400 0.062 0.000 2.178 64 D HA -0.194 4.446 4.640 0.000 0.000 0.201 64 D C 2.065 178.556 176.300 0.317 0.000 0.980 64 D CA 1.346 55.428 54.000 0.137 0.000 0.842 64 D CB -0.138 40.685 40.800 0.038 0.000 0.948 64 D HN 0.393 nan 8.370 nan 0.000 0.472 65 Y N 0.086 120.547 120.300 0.269 0.000 2.200 65 Y HA -0.132 4.418 4.550 0.000 0.000 0.290 65 Y C 2.571 178.726 175.900 0.425 0.000 1.137 65 Y CA 0.126 58.465 58.100 0.399 0.000 1.163 65 Y CB -0.254 38.390 38.460 0.307 0.000 0.988 65 Y HN -0.143 nan 8.280 nan 0.000 0.518 66 V N 0.428 120.625 119.914 0.473 0.000 2.515 66 V HA -0.195 3.925 4.120 0.000 0.000 0.250 66 V C 2.016 178.276 176.094 0.276 0.000 1.058 66 V CA 1.675 64.163 62.300 0.314 0.000 1.064 66 V CB -0.262 31.698 31.823 0.228 0.000 0.675 66 V HN 0.360 nan 8.190 nan 0.000 0.461 67 E N 0.135 120.505 120.200 0.283 0.000 2.070 67 E HA -0.195 4.155 4.350 0.000 0.000 0.197 67 E C 2.276 179.021 176.600 0.242 0.000 1.004 67 E CA 1.840 58.379 56.400 0.232 0.000 0.805 67 E CB -0.609 29.231 29.700 0.234 0.000 0.744 67 E HN 0.563 nan 8.360 nan 0.000 0.451 68 V N 1.883 121.998 119.914 0.337 0.000 2.255 68 V HA -0.277 3.843 4.120 0.000 0.000 0.247 68 V C 2.630 178.839 176.094 0.192 0.000 1.051 68 V CA 1.599 64.064 62.300 0.275 0.000 1.018 68 V CB -0.626 31.391 31.823 0.322 0.000 0.641 68 V HN 0.237 nan 8.190 nan 0.000 0.445 69 L N 0.626 121.994 121.223 0.242 0.000 2.043 69 L HA -0.195 4.145 4.340 0.000 0.000 0.212 69 L C 2.494 179.426 176.870 0.103 0.000 1.075 69 L CA 2.302 57.244 54.840 0.169 0.000 0.752 69 L CB -1.054 41.118 42.059 0.189 0.000 0.891 69 L HN 0.619 nan 8.230 nan 0.000 0.432 70 T N -6.224 108.394 114.554 0.106 0.000 3.144 70 T HA 0.065 4.415 4.350 0.000 0.000 0.249 70 T C 1.219 175.944 174.700 0.041 0.000 1.089 70 T CA 0.589 62.727 62.100 0.064 0.000 0.989 70 T CB 0.241 69.150 68.868 0.067 0.000 0.992 70 T HN 0.187 nan 8.240 nan 0.000 0.540 71 T N 0.524 115.107 114.554 0.048 0.000 3.182 71 T HA 0.167 4.517 4.350 0.000 0.000 0.244 71 T C 2.174 176.815 174.700 -0.099 0.000 0.981 71 T CA 0.357 62.459 62.100 0.004 0.000 1.182 71 T CB -0.266 68.647 68.868 0.074 0.000 1.043 71 T HN 0.299 nan 8.240 nan 0.000 0.424 72 S N 1.520 117.214 115.700 -0.010 0.000 2.387 72 S HA -0.031 4.439 4.470 0.000 0.000 0.226 72 S C 2.287 176.849 174.600 -0.064 0.000 1.026 72 S CA 0.704 58.893 58.200 -0.018 0.000 0.972 72 S CB -0.403 62.909 63.200 0.186 0.000 0.814 72 S HN 0.195 nan 8.310 nan 0.000 0.477 73 V N 2.711 122.612 119.914 -0.022 0.000 2.295 73 V HA -0.089 4.031 4.120 0.000 0.000 0.246 73 V C -0.732 175.331 176.094 -0.052 0.000 1.049 73 V CA 1.666 63.954 62.300 -0.021 0.000 1.024 73 V CB -1.721 30.107 31.823 0.009 0.000 0.648 73 V HN 0.319 nan 8.190 nan 0.000 0.447 74 P HA -0.154 nan 4.420 nan 0.000 0.215 74 P C 1.748 178.983 177.300 -0.109 0.000 1.157 74 P CA 2.070 65.127 63.100 -0.071 0.000 0.868 74 P CB -0.172 31.491 31.700 -0.062 0.000 0.788 75 A N -0.552 122.151 122.820 -0.195 0.000 1.883 75 A HA -0.186 4.134 4.320 0.000 0.000 0.217 75 A C 2.343 179.850 177.584 -0.129 0.000 1.186 75 A CA 2.039 53.929 52.037 -0.245 0.000 0.624 75 A CB -1.795 16.821 19.000 -0.640 0.000 0.822 75 A HN 0.042 nan 8.150 nan 0.000 0.444 76 V N -0.898 118.960 119.914 -0.093 0.000 2.490 76 V HA -0.264 3.856 4.120 0.000 0.000 0.250 76 V C 2.544 178.598 176.094 -0.067 0.000 1.061 76 V CA 2.222 64.496 62.300 -0.045 0.000 1.064 76 V CB -0.632 31.178 31.823 -0.022 0.000 0.670 76 V HN 0.563 nan 8.190 nan 0.000 0.461 77 M N 0.712 120.269 119.600 -0.072 0.000 2.229 77 M HA -0.055 4.425 4.480 0.000 0.000 0.264 77 M C 2.213 178.471 176.300 -0.070 0.000 1.063 77 M CA 2.229 57.483 55.300 -0.076 0.000 1.114 77 M CB -0.662 31.902 32.600 -0.060 0.000 1.387 77 M HN 0.329 nan 8.290 nan 0.000 0.420 78 K N -0.217 120.145 120.400 -0.062 0.000 2.116 78 K HA 0.044 4.364 4.320 0.000 0.000 0.203 78 K C 0.948 177.522 176.600 -0.043 0.000 1.052 78 K CA 0.917 57.174 56.287 -0.050 0.000 0.952 78 K CB -0.952 31.519 32.500 -0.048 0.000 0.729 78 K HN 0.536 nan 8.250 nan 0.000 0.446 79 E N 0.482 120.657 120.200 -0.042 0.000 2.366 79 E HA 0.336 4.686 4.350 0.000 0.000 0.266 79 E C 0.188 176.761 176.600 -0.044 0.000 1.015 79 E CA 0.395 56.777 56.400 -0.030 0.000 0.906 79 E CB 0.198 29.889 29.700 -0.015 0.000 0.979 79 E HN 0.644 nan 8.360 nan 0.000 0.443 80 S N 2.979 118.658 115.700 -0.034 0.000 3.378 80 S HA -0.195 4.275 4.470 0.000 0.000 0.365 80 S C 0.703 175.263 174.600 -0.066 0.000 0.951 80 S CA 0.390 58.565 58.200 -0.040 0.000 1.274 80 S CB -1.629 nan 63.200 nan 0.000 0.915 80 S HN 0.715 nan 8.310 nan 0.000 0.513 81 G N 0.173 108.938 108.800 -0.058 0.000 2.230 81 G HA2 0.558 4.518 3.960 0.000 0.000 0.282 81 G HA3 0.558 4.518 3.960 0.000 0.000 0.282 81 G C 0.648 175.500 174.900 -0.080 0.000 0.999 81 G CA 0.437 45.495 45.100 -0.071 0.000 1.326 81 G HN 1.995 nan 8.290 nan 0.000 0.397 82 V N 1.684 121.513 119.914 -0.141 0.000 3.319 82 V HA 0.557 4.677 4.120 0.000 0.000 0.303 82 V C 0.823 176.877 176.094 -0.067 0.000 1.094 82 V CA 0.161 62.375 62.300 -0.143 0.000 1.106 82 V CB 0.200 31.788 31.823 -0.392 0.000 1.099 82 V HN 0.903 nan 8.190 nan 0.000 0.476 83 D N 1.668 122.063 120.400 -0.008 0.000 2.308 83 D HA 0.585 5.225 4.640 0.000 0.000 0.251 83 D C 1.138 177.445 176.300 0.012 0.000 1.127 83 D CA 0.306 54.310 54.000 0.007 0.000 0.876 83 D CB 1.380 42.196 40.800 0.027 0.000 1.176 83 D HN 1.568 nan 8.370 nan 0.000 0.446 84 A N 1.443 124.264 122.820 0.001 0.000 1.997 84 A HA -0.149 4.171 4.320 0.000 0.000 0.221 84 A C 1.696 179.295 177.584 0.024 0.000 1.172 84 A CA 2.200 54.240 52.037 0.006 0.000 0.645 84 A CB -0.351 18.649 19.000 0.001 0.000 0.813 84 A HN 0.697 nan 8.150 nan 0.000 0.454 85 D N -0.118 120.298 120.400 0.026 0.000 2.351 85 D HA -0.060 4.580 4.640 0.000 0.000 0.216 85 D C 0.808 177.136 176.300 0.046 0.000 0.968 85 D CA 1.070 55.087 54.000 0.029 0.000 0.899 85 D CB -0.049 40.764 40.800 0.022 0.000 0.907 85 D HN 0.448 nan 8.370 nan 0.000 0.514 86 D N -0.564 119.885 120.400 0.081 0.000 2.379 86 D HA 0.033 4.673 4.640 0.000 0.000 0.208 86 D C -0.017 176.394 176.300 0.185 0.000 1.065 86 D CA 0.127 54.211 54.000 0.139 0.000 0.848 86 D CB 0.876 41.822 40.800 0.243 0.000 0.949 86 D HN 0.018 nan 8.370 nan 0.000 0.509 87 V N 2.427 122.416 119.914 0.126 0.000 2.356 87 V HA 0.055 4.175 4.120 0.000 0.000 0.258 87 V C 1.435 177.573 176.094 0.074 0.000 1.065 87 V CA -0.128 62.242 62.300 0.115 0.000 0.935 87 V CB 1.127 32.985 31.823 0.058 0.000 1.061 87 V HN -0.092 nan 8.190 nan 0.000 0.484 88 I N 3.701 124.314 120.570 0.071 0.000 3.059 88 I HA 0.316 4.486 4.170 0.000 0.000 0.270 88 I C 1.214 177.351 176.117 0.033 0.000 1.238 88 I CA 0.929 62.249 61.300 0.034 0.000 1.478 88 I CB -0.076 37.925 38.000 0.002 0.000 1.097 88 I HN 0.762 nan 8.210 nan 0.000 0.455 89 G N -0.395 108.435 108.800 0.050 0.000 2.506 89 G HA2 0.458 4.418 3.960 0.000 0.000 0.292 89 G HA3 0.458 4.418 3.960 0.000 0.000 0.292 89 G C -1.980 172.958 174.900 0.062 0.000 1.425 89 G CA -0.335 44.795 45.100 0.051 0.000 0.788 89 G HN -0.160 nan 8.290 nan 0.000 0.490 90 I N 0.242 120.850 120.570 0.064 0.000 2.656 90 I HA 0.774 4.944 4.170 0.000 0.000 0.292 90 I C -0.203 175.967 176.117 0.088 0.000 1.144 90 I CA -0.331 61.013 61.300 0.073 0.000 1.038 90 I CB 1.600 39.637 38.000 0.061 0.000 1.244 90 I HN 1.061 nan 8.210 nan 0.000 0.420 91 G N 5.737 114.601 108.800 0.106 0.000 2.642 91 G HA2 0.729 4.689 3.960 0.000 0.000 0.293 91 G HA3 0.729 4.689 3.960 0.000 0.000 0.293 91 G C -1.428 173.561 174.900 0.148 0.000 1.341 91 G CA -0.472 44.706 45.100 0.129 0.000 0.916 91 G HN 0.762 nan 8.290 nan 0.000 0.474 92 V N -1.444 118.575 119.914 0.176 0.000 3.078 92 V HA 0.930 5.050 4.120 0.000 0.000 0.311 92 V C -1.548 174.686 176.094 0.234 0.000 1.138 92 V CA -1.057 61.387 62.300 0.240 0.000 1.007 92 V CB 2.071 34.125 31.823 0.385 0.000 1.045 92 V HN 1.049 nan 8.190 nan 0.000 0.432 93 D N 1.113 121.662 120.400 0.249 0.000 2.780 93 D HA 0.707 5.347 4.640 0.000 0.000 0.242 93 D C -1.237 175.223 176.300 0.268 0.000 1.135 93 D CA -0.358 53.773 54.000 0.217 0.000 0.859 93 D CB 2.168 43.052 40.800 0.140 0.000 1.530 93 D HN 0.557 nan 8.370 nan 0.000 0.493 94 F N 0.602 120.621 119.950 0.115 0.000 2.620 94 F HA 0.514 5.041 4.527 0.000 0.000 0.320 94 F C 0.312 176.145 175.800 0.055 0.000 1.069 94 F CA -0.588 57.472 58.000 0.100 0.000 0.953 94 F CB 2.344 41.341 39.000 -0.005 0.000 1.322 94 F HN 0.499 nan 8.300 nan 0.000 0.479 95 T N 1.043 115.800 114.554 0.338 0.000 2.932 95 T HA 0.535 4.885 4.350 0.000 0.000 0.312 95 T C -0.253 174.595 174.700 0.247 0.000 1.071 95 T CA -0.552 61.637 62.100 0.148 0.000 1.128 95 T CB 0.940 69.920 68.868 0.186 0.000 0.984 95 T HN 0.772 nan 8.240 nan 0.000 0.549 96 A N 1.889 124.777 122.820 0.114 0.000 2.288 96 A HA 0.622 4.942 4.320 0.000 0.000 0.320 96 A C 0.626 178.373 177.584 0.272 0.000 1.217 96 A CA -0.700 51.445 52.037 0.180 0.000 0.840 96 A CB -0.117 18.963 19.000 0.133 0.000 1.179 96 A HN 1.967 nan 8.150 nan 0.000 0.504 97 C N 2.079 121.518 119.300 0.232 0.000 4.478 97 C HA -0.099 4.361 4.460 0.000 0.000 0.323 97 C C 0.273 175.424 174.990 0.269 0.000 1.096 97 C CA 0.672 59.833 59.018 0.237 0.000 2.444 97 C CB -2.640 25.289 27.740 0.315 0.000 1.238 97 C HN 1.033 nan 8.230 nan 0.000 0.673 98 T N 4.944 119.618 114.554 0.199 0.000 3.155 98 T HA 0.546 4.896 4.350 0.000 0.000 0.384 98 T C 0.023 174.752 174.700 0.049 0.000 1.351 98 T CA 0.059 62.272 62.100 0.189 0.000 1.198 98 T CB 0.374 69.413 68.868 0.285 0.000 1.106 98 T HN 0.782 nan 8.240 nan 0.000 0.564 99 M N 2.648 122.275 119.600 0.045 0.000 2.573 99 M HA 0.908 5.388 4.480 0.000 0.000 0.309 99 M C -0.966 175.331 176.300 -0.005 0.000 1.202 99 M CA -0.968 54.342 55.300 0.016 0.000 0.975 99 M CB 0.833 33.458 32.600 0.042 0.000 1.600 99 M HN 0.337 nan 8.290 nan 0.000 0.479 100 L N -1.680 119.538 121.223 -0.008 0.000 2.549 100 L HA 0.849 5.189 4.340 0.000 0.000 0.259 100 L C -3.015 173.841 176.870 -0.024 0.000 0.934 100 L CA -1.748 53.057 54.840 -0.058 0.000 0.865 100 L CB 2.130 44.045 42.059 -0.239 0.000 1.352 100 L HN 0.587 nan 8.230 nan 0.000 0.410 101 P HA 0.383 nan 4.420 nan 0.000 0.284 101 P C -0.944 176.185 177.300 -0.284 0.000 1.253 101 P CA -0.319 62.690 63.100 -0.153 0.000 0.800 101 P CB 1.976 33.633 31.700 -0.072 0.000 0.961 102 V N -0.534 119.185 119.914 -0.325 0.000 3.078 102 V HA 0.562 4.682 4.120 0.000 0.000 0.311 102 V C -0.242 175.704 176.094 -0.246 0.000 1.138 102 V CA -1.215 60.931 62.300 -0.256 0.000 1.007 102 V CB 1.640 33.373 31.823 -0.150 0.000 1.045 102 V HN 0.544 nan 8.190 nan 0.000 0.432 103 D N 1.128 121.420 120.400 -0.179 0.000 2.447 103 D HA 0.199 4.839 4.640 0.000 0.000 0.265 103 D C 1.086 177.313 176.300 -0.122 0.000 1.250 103 D CA 0.052 53.956 54.000 -0.160 0.000 1.046 103 D CB 0.339 41.071 40.800 -0.114 0.000 1.095 103 D HN 0.682 nan 8.370 nan 0.000 0.555 104 E N -0.428 119.708 120.200 -0.106 0.000 2.333 104 E HA -0.211 4.139 4.350 0.000 0.000 0.198 104 E C 0.551 177.118 176.600 -0.056 0.000 1.007 104 E CA 0.999 57.348 56.400 -0.085 0.000 0.845 104 E CB -0.425 29.230 29.700 -0.076 0.000 0.766 104 E HN 0.533 nan 8.360 nan 0.000 0.507 105 E N -0.048 120.128 120.200 -0.041 0.000 2.419 105 E HA 0.259 4.609 4.350 0.000 0.000 0.190 105 E C 0.747 177.351 176.600 0.008 0.000 1.040 105 E CA 0.500 56.889 56.400 -0.018 0.000 0.900 105 E CB 0.411 30.104 29.700 -0.012 0.000 1.054 105 E HN 0.403 nan 8.360 nan 0.000 0.462 106 G N 0.796 109.603 108.800 0.011 0.000 2.153 106 G HA2 -0.283 3.677 3.960 0.000 0.000 0.252 106 G HA3 -0.283 3.677 3.960 0.000 0.000 0.252 106 G C 0.022 175.051 174.900 0.215 0.000 0.994 106 G CA 0.026 45.179 45.100 0.088 0.000 0.698 106 G HN 0.132 nan 8.290 nan 0.000 0.521 107 Q N 0.329 120.188 119.800 0.099 0.000 2.245 107 Q HA 0.448 4.788 4.340 0.000 0.000 0.256 107 Q C -2.231 173.717 176.000 -0.087 0.000 0.942 107 Q CA -2.163 53.701 55.803 0.103 0.000 0.896 107 Q CB 2.096 30.864 28.738 0.050 0.000 1.272 107 Q HN 0.311 nan 8.270 nan 0.000 0.442 108 P HA -0.005 nan 4.420 nan 0.000 0.268 108 P C 0.438 177.542 177.300 -0.326 0.000 1.205 108 P CA -0.227 62.628 63.100 -0.408 0.000 0.771 108 P CB 0.885 32.202 31.700 -0.638 0.000 0.858 109 L N 3.711 124.740 121.223 -0.324 0.000 2.201 109 L HA -0.123 4.217 4.340 0.000 0.000 0.212 109 L C 2.553 179.249 176.870 -0.290 0.000 1.105 109 L CA 1.728 56.404 54.840 -0.273 0.000 0.775 109 L CB -1.587 40.285 42.059 -0.312 0.000 0.913 109 L HN 0.548 nan 8.230 nan 0.000 0.440 110 C N -2.751 116.236 119.300 -0.521 0.000 2.460 110 C HA 0.019 4.479 4.460 0.000 0.000 0.291 110 C C 2.151 176.717 174.990 -0.707 0.000 1.493 110 C CA -0.267 58.231 59.018 -0.867 0.000 1.748 110 C CB -1.480 25.151 27.740 -1.849 0.000 1.656 110 C HN 0.351 nan 8.230 nan 0.000 0.576 111 L N -0.565 120.399 121.223 -0.431 0.000 2.556 111 L HA 0.403 4.743 4.340 0.000 0.000 0.226 111 L C 0.930 177.726 176.870 -0.123 0.000 1.089 111 L CA 0.538 55.218 54.840 -0.266 0.000 0.864 111 L CB -0.678 41.264 42.059 -0.195 0.000 1.067 111 L HN 0.212 nan 8.230 nan 0.000 0.477 112 L N -0.403 120.772 121.223 -0.079 0.000 2.410 112 L HA 0.211 4.551 4.340 0.000 0.000 0.273 112 L C 1.637 178.517 176.870 0.016 0.000 1.152 112 L CA 0.549 55.399 54.840 0.017 0.000 0.855 112 L CB 0.680 42.823 42.059 0.139 0.000 1.129 112 L HN 0.142 nan 8.230 nan 0.000 0.463 113 A N 3.503 126.319 122.820 -0.007 0.000 1.903 113 A HA -0.245 4.075 4.320 0.000 0.000 0.219 113 A C 1.671 179.209 177.584 -0.076 0.000 1.191 113 A CA 1.960 53.982 52.037 -0.026 0.000 0.638 113 A CB -0.725 18.258 19.000 -0.027 0.000 0.823 113 A HN 0.901 nan 8.150 nan 0.000 0.451 114 Q N -2.682 117.010 119.800 -0.181 0.000 2.373 114 Q HA 0.157 4.497 4.340 0.000 0.000 0.206 114 Q C 0.450 176.046 176.000 -0.675 0.000 0.942 114 Q CA 0.898 56.452 55.803 -0.416 0.000 0.953 114 Q CB -0.322 28.086 28.738 -0.551 0.000 1.022 114 Q HN 0.784 nan 8.270 nan 0.000 0.502 115 Y N -0.366 119.936 120.300 0.002 0.000 2.459 115 Y HA 0.151 4.701 4.550 0.000 0.000 0.271 115 Y C 1.532 177.457 175.900 0.042 0.000 1.063 115 Y CA -0.397 57.714 58.100 0.017 0.000 1.216 115 Y CB 0.643 39.091 38.460 -0.020 0.000 1.335 115 Y HN 0.117 nan 8.280 nan 0.000 0.550 116 K N 0.104 120.585 120.400 0.135 0.000 2.360 116 K HA -0.151 4.169 4.320 0.000 0.000 0.201 116 K C 0.130 176.961 176.600 0.386 0.000 1.046 116 K CA 2.143 58.524 56.287 0.156 0.000 0.940 116 K CB -0.086 32.458 32.500 0.073 0.000 0.748 116 K HN 0.077 nan 8.250 nan 0.000 0.465 117 D N 0.557 121.104 120.400 0.244 0.000 2.339 117 D HA 0.015 4.655 4.640 0.000 0.000 0.217 117 D C -0.441 175.973 176.300 0.191 0.000 1.050 117 D CA 0.168 54.287 54.000 0.199 0.000 0.856 117 D CB 0.046 40.910 40.800 0.107 0.000 0.922 117 D HN 0.184 nan 8.370 nan 0.000 0.518 118 N N 0.734 119.594 118.700 0.266 0.000 2.422 118 N HA 0.117 4.857 4.740 0.000 0.000 0.266 118 N C -1.960 173.754 175.510 0.341 0.000 1.007 118 N CA -1.822 51.386 53.050 0.263 0.000 0.941 118 N CB 2.205 40.877 38.487 0.308 0.000 1.115 118 N HN -0.222 nan 8.380 nan 0.000 0.492 119 P HA -0.078 nan 4.420 nan 0.000 0.216 119 P C 0.367 177.888 177.300 0.368 0.000 1.150 119 P CA 1.413 64.598 63.100 0.141 0.000 0.837 119 P CB 0.130 31.695 31.700 -0.225 0.000 0.786 120 H N -1.288 118.035 119.070 0.422 0.000 2.561 120 H HA -0.004 4.552 4.556 0.000 0.000 0.278 120 H C 1.659 177.135 175.328 0.248 0.000 1.014 120 H CA 1.311 57.564 56.048 0.341 0.000 1.211 120 H CB -0.366 29.569 29.762 0.289 0.000 1.365 120 H HN 0.191 nan 8.280 nan 0.000 0.594 121 S N -1.119 114.793 115.700 0.354 0.000 2.575 121 S HA 0.002 4.472 4.470 0.000 0.000 0.215 121 S C 0.213 174.794 174.600 -0.032 0.000 0.966 121 S CA -0.610 57.661 58.200 0.118 0.000 0.911 121 S CB 0.028 63.257 63.200 0.048 0.000 0.780 121 S HN 0.228 nan 8.310 nan 0.000 0.514 122 W N 1.019 122.296 121.300 -0.038 0.000 2.225 122 W HA 0.590 5.250 4.660 0.000 0.000 0.377 122 W C 0.036 176.473 176.519 -0.136 0.000 1.418 122 W CA -1.086 56.188 57.345 -0.119 0.000 1.562 122 W CB 0.109 29.512 29.460 -0.094 0.000 1.297 122 W HN -0.215 nan 8.180 nan 0.000 0.686 123 V N 2.863 122.839 119.914 0.104 0.000 2.572 123 V HA 0.067 4.187 4.120 0.000 0.000 0.291 123 V C 0.282 176.385 176.094 0.016 0.000 1.039 123 V CA -0.676 61.635 62.300 0.018 0.000 1.055 123 V CB 0.184 32.029 31.823 0.037 0.000 0.969 123 V HN 0.183 nan 8.190 nan 0.000 0.482 124 K N 4.732 125.094 120.400 -0.063 0.000 2.266 124 K HA 0.342 4.662 4.320 0.000 0.000 0.274 124 K C -0.427 176.141 176.600 -0.054 0.000 1.090 124 K CA -0.794 55.364 56.287 -0.216 0.000 0.925 124 K CB 1.278 33.566 32.500 -0.354 0.000 1.225 124 K HN 0.440 nan 8.250 nan 0.000 0.458 125 L N 4.245 125.460 121.223 -0.012 0.000 2.499 125 L HA -0.026 4.314 4.340 0.000 0.000 0.281 125 L C 1.776 178.681 176.870 0.057 0.000 1.234 125 L CA 0.305 55.194 54.840 0.081 0.000 0.839 125 L CB 0.172 42.237 42.059 0.009 0.000 1.104 125 L HN 0.709 nan 8.230 nan 0.000 0.500 126 W N 3.636 125.016 121.300 0.133 0.000 2.325 126 W HA -0.255 4.405 4.660 0.000 0.000 0.299 126 W C 1.273 177.823 176.519 0.051 0.000 1.215 126 W CA 1.426 58.855 57.345 0.139 0.000 1.244 126 W CB -0.823 28.750 29.460 0.189 0.000 1.140 126 W HN 0.777 nan 8.180 nan 0.000 0.523 127 K N 0.752 120.463 120.400 -1.149 0.000 2.505 127 K HA -0.082 4.238 4.320 0.000 0.000 0.192 127 K C 0.256 176.187 176.600 -1.114 0.000 1.025 127 K CA 0.188 55.681 56.287 -1.322 0.000 1.086 127 K CB -0.793 30.719 32.500 -1.648 0.000 0.840 127 K HN 0.092 nan 8.250 nan 0.000 0.514 128 H N 1.610 120.248 119.070 -0.720 0.000 3.017 128 H HA 0.026 4.582 4.556 0.000 0.000 0.276 128 H C -0.083 174.906 175.328 -0.565 0.000 1.062 128 H CA 0.075 55.779 56.048 -0.574 0.000 1.486 128 H CB 0.367 29.884 29.762 -0.410 0.000 1.507 128 H HN 0.188 nan 8.280 nan 0.000 0.508 129 H N 3.877 122.617 119.070 -0.550 0.000 2.592 129 H HA 0.218 4.774 4.556 0.000 0.000 0.279 129 H C 1.536 176.560 175.328 -0.507 0.000 1.089 129 H CA 0.581 56.381 56.048 -0.413 0.000 1.150 129 H CB 0.444 30.035 29.762 -0.285 0.000 1.575 129 H HN 0.768 nan 8.280 nan 0.000 0.547 130 A N 1.011 123.350 122.820 -0.802 0.000 2.172 130 A HA 0.103 4.423 4.320 0.000 0.000 0.216 130 A C 2.034 179.453 177.584 -0.274 0.000 1.154 130 A CA 1.121 52.832 52.037 -0.543 0.000 0.701 130 A CB -0.200 18.328 19.000 -0.788 0.000 0.789 130 A HN 0.316 nan 8.150 nan 0.000 0.465 131 A N -0.927 121.758 122.820 -0.224 0.000 2.507 131 A HA 0.340 4.661 4.320 0.000 0.000 0.270 131 A C 1.517 179.038 177.584 -0.106 0.000 1.318 131 A CA 0.602 52.573 52.037 -0.109 0.000 0.924 131 A CB -0.248 18.733 19.000 -0.032 0.000 1.061 131 A HN 0.420 nan 8.150 nan 0.000 0.516 132 Q N 1.814 121.547 119.800 -0.113 0.000 2.135 132 Q HA -0.238 4.102 4.340 0.000 0.000 0.204 132 Q C 1.547 177.479 176.000 -0.114 0.000 0.981 132 Q CA 2.434 58.174 55.803 -0.105 0.000 0.856 132 Q CB -0.233 28.443 28.738 -0.104 0.000 0.902 132 Q HN 0.774 nan 8.270 nan 0.000 0.425 133 D N -0.359 119.963 120.400 -0.129 0.000 2.104 133 D HA -0.219 4.421 4.640 0.000 0.000 0.194 133 D C 1.270 177.427 176.300 -0.240 0.000 0.994 133 D CA 1.301 55.205 54.000 -0.161 0.000 0.830 133 D CB -0.275 40.428 40.800 -0.162 0.000 0.959 133 D HN 0.160 nan 8.370 nan 0.000 0.452 134 K N 0.910 121.131 120.400 -0.297 0.000 2.148 134 K HA 0.085 4.405 4.320 0.000 0.000 0.204 134 K C 2.278 178.795 176.600 -0.137 0.000 1.050 134 K CA 1.088 57.115 56.287 -0.433 0.000 0.942 134 K CB -0.604 31.662 32.500 -0.389 0.000 0.724 134 K HN 0.303 nan 8.250 nan 0.000 0.446 135 A N 2.300 125.079 122.820 -0.069 0.000 1.877 135 A HA -0.183 4.137 4.320 0.000 0.000 0.216 135 A C 1.946 179.526 177.584 -0.006 0.000 1.186 135 A CA 1.556 53.587 52.037 -0.010 0.000 0.620 135 A CB -0.480 18.480 19.000 -0.066 0.000 0.822 135 A HN 0.271 nan 8.150 nan 0.000 0.443 136 N N 0.559 119.227 118.700 -0.055 0.000 2.149 136 N HA -0.153 4.587 4.740 0.000 0.000 0.188 136 N C 1.838 177.343 175.510 -0.009 0.000 1.019 136 N CA 1.608 54.633 53.050 -0.041 0.000 0.857 136 N CB -0.538 37.910 38.487 -0.066 0.000 0.997 136 N HN 0.500 nan 8.380 nan 0.000 0.426 137 A N 1.033 123.831 122.820 -0.036 0.000 1.898 137 A HA -0.006 4.314 4.320 0.000 0.000 0.216 137 A C 2.344 180.048 177.584 0.200 0.000 1.181 137 A CA 0.698 52.751 52.037 0.026 0.000 0.620 137 A CB -0.534 18.373 19.000 -0.154 0.000 0.819 137 A HN 0.190 nan 8.150 nan 0.000 0.442 138 I N 0.227 120.966 120.570 0.281 0.000 2.226 138 I HA -0.262 3.908 4.170 0.000 0.000 0.245 138 I C 2.114 178.421 176.117 0.318 0.000 1.100 138 I CA 1.103 62.626 61.300 0.372 0.000 1.374 138 I CB -0.395 37.829 38.000 0.374 0.000 1.057 138 I HN 0.314 nan 8.210 nan 0.000 0.413 139 N N 0.708 119.521 118.700 0.188 0.000 2.142 139 N HA -0.161 4.579 4.740 0.000 0.000 0.186 139 N C 1.746 177.311 175.510 0.092 0.000 1.023 139 N CA 1.279 54.403 53.050 0.123 0.000 0.852 139 N CB -0.199 38.321 38.487 0.055 0.000 0.998 139 N HN 0.462 nan 8.380 nan 0.000 0.424 140 E N 0.311 120.560 120.200 0.082 0.000 2.072 140 E HA -0.144 4.206 4.350 0.000 0.000 0.191 140 E C 1.827 178.473 176.600 0.077 0.000 0.985 140 E CA 0.866 57.300 56.400 0.055 0.000 0.801 140 E CB -0.075 29.646 29.700 0.034 0.000 0.750 140 E HN 0.148 nan 8.360 nan 0.000 0.452 141 M N 0.910 120.581 119.600 0.119 0.000 2.132 141 M HA -0.067 4.413 4.480 0.000 0.000 0.263 141 M C 2.057 178.487 176.300 0.216 0.000 1.065 141 M CA 1.579 56.945 55.300 0.110 0.000 1.122 141 M CB -0.185 32.420 32.600 0.007 0.000 1.365 141 M HN 0.069 nan 8.290 nan 0.000 0.411 142 A N -0.115 122.899 122.820 0.323 0.000 1.902 142 A HA -0.080 4.240 4.320 0.000 0.000 0.217 142 A C 2.159 179.723 177.584 -0.033 0.000 1.181 142 A CA 2.404 54.538 52.037 0.163 0.000 0.623 142 A CB -1.565 17.367 19.000 -0.114 0.000 0.818 142 A HN 0.618 nan 8.150 nan 0.000 0.443 143 E N -0.595 119.597 120.200 -0.013 0.000 2.051 143 E HA -0.172 4.178 4.350 0.000 0.000 0.192 143 E C 2.237 178.828 176.600 -0.016 0.000 0.991 143 E CA 2.600 58.978 56.400 -0.036 0.000 0.799 143 E CB -1.225 28.463 29.700 -0.020 0.000 0.748 143 E HN 0.853 nan 8.360 nan 0.000 0.449 144 K N 0.669 121.077 120.400 0.013 0.000 2.148 144 K HA 0.000 4.320 4.320 0.000 0.000 0.204 144 K C 2.274 178.884 176.600 0.018 0.000 1.050 144 K CA 1.226 57.521 56.287 0.012 0.000 0.942 144 K CB -0.368 32.143 32.500 0.018 0.000 0.724 144 K HN 0.429 nan 8.250 nan 0.000 0.446 145 R N -1.244 119.281 120.500 0.043 0.000 2.299 145 R HA 0.102 4.442 4.340 0.000 0.000 0.197 145 R C 1.150 177.457 176.300 0.011 0.000 0.971 145 R CA 0.491 56.625 56.100 0.056 0.000 1.030 145 R CB 0.080 30.471 30.300 0.151 0.000 0.932 145 R HN 0.599 nan 8.270 nan 0.000 0.477 146 G N 2.077 110.858 108.800 -0.032 0.000 2.225 146 G HA2 -0.265 3.695 3.960 0.000 0.000 0.267 146 G HA3 -0.265 3.695 3.960 0.000 0.000 0.267 146 G C -0.314 174.519 174.900 -0.111 0.000 1.024 146 G CA 0.007 45.068 45.100 -0.066 0.000 0.784 146 G HN 0.247 nan 8.290 nan 0.000 0.507 147 E N -0.337 119.753 120.200 -0.183 0.000 2.480 147 E HA 0.302 4.652 4.350 0.000 0.000 0.258 147 E C 1.590 177.982 176.600 -0.347 0.000 0.984 147 E CA 0.528 56.753 56.400 -0.291 0.000 0.930 147 E CB 0.651 29.986 29.700 -0.608 0.000 0.936 147 E HN 0.561 nan 8.360 nan 0.000 0.466 148 A N 4.293 127.004 122.820 -0.180 0.000 2.019 148 A HA -0.200 4.120 4.320 0.000 0.000 0.219 148 A C 1.751 179.259 177.584 -0.126 0.000 1.164 148 A CA 1.356 53.311 52.037 -0.136 0.000 0.644 148 A CB -0.735 18.216 19.000 -0.083 0.000 0.805 148 A HN 0.696 nan 8.150 nan 0.000 0.449 149 F N -0.968 118.920 119.950 -0.104 0.000 2.234 149 F HA -0.068 4.459 4.527 0.000 0.000 0.299 149 F C 1.592 177.460 175.800 0.112 0.000 1.087 149 F CA 1.001 58.986 58.000 -0.024 0.000 1.340 149 F CB -0.648 38.339 39.000 -0.021 0.000 1.031 149 F HN 0.129 nan 8.300 nan 0.000 0.500 150 L N 1.973 122.826 121.223 -0.618 0.000 1.997 150 L HA -0.102 4.238 4.340 0.000 0.000 0.216 150 L C -0.655 176.246 176.870 0.051 0.000 1.074 150 L CA 2.280 56.956 54.840 -0.273 0.000 0.763 150 L CB -1.968 39.828 42.059 -0.439 0.000 0.890 150 L HN 0.024 nan 8.230 nan 0.000 0.434 151 P HA -0.134 nan 4.420 nan 0.000 0.222 151 P C 1.127 178.441 177.300 0.023 0.000 1.147 151 P CA 1.291 64.396 63.100 0.008 0.000 0.790 151 P CB -0.135 31.547 31.700 -0.030 0.000 0.780 152 R N -1.897 118.593 120.500 -0.016 0.000 2.316 152 R HA -0.031 4.309 4.340 0.000 0.000 0.202 152 R C 0.508 176.564 176.300 -0.407 0.000 1.029 152 R CA 0.958 56.928 56.100 -0.217 0.000 1.018 152 R CB -0.340 29.745 30.300 -0.359 0.000 0.888 152 R HN 0.376 nan 8.270 nan 0.000 0.471 153 Y N -0.722 119.706 120.300 0.212 0.000 2.716 153 Y HA 0.285 4.835 4.550 0.000 0.000 0.260 153 Y C 1.189 177.239 175.900 0.250 0.000 1.141 153 Y CA -0.112 58.176 58.100 0.315 0.000 1.168 153 Y CB 0.969 39.712 38.460 0.472 0.000 1.189 153 Y HN 0.153 nan 8.280 nan 0.000 0.549 154 G N 0.279 109.214 108.800 0.224 0.000 2.179 154 G HA2 -0.137 3.823 3.960 0.000 0.000 0.257 154 G HA3 -0.137 3.823 3.960 0.000 0.000 0.257 154 G C 1.181 176.155 174.900 0.122 0.000 1.010 154 G CA 0.413 45.604 45.100 0.152 0.000 0.736 154 G HN 1.250 nan 8.290 nan 0.000 0.513 155 G N -1.219 107.662 108.800 0.136 0.000 2.143 155 G HA2 -0.127 3.833 3.960 0.000 0.000 0.249 155 G HA3 -0.127 3.833 3.960 0.000 0.000 0.249 155 G C 0.073 175.022 174.900 0.082 0.000 0.981 155 G CA 1.229 46.374 45.100 0.075 0.000 0.665 155 G HN 1.707 nan 8.290 nan 0.000 0.528 156 K N 0.233 120.719 120.400 0.144 0.000 2.619 156 K HA 0.548 4.868 4.320 0.000 0.000 0.251 156 K C -0.249 176.364 176.600 0.022 0.000 0.987 156 K CA -1.128 55.199 56.287 0.065 0.000 0.844 156 K CB 0.766 33.266 32.500 0.000 0.000 1.237 156 K HN -0.027 nan 8.250 nan 0.000 0.447 157 I N 2.730 123.293 120.570 -0.012 0.000 2.474 157 I HA 0.120 4.290 4.170 0.000 0.000 0.287 157 I C 0.844 176.678 176.117 -0.472 0.000 1.048 157 I CA 0.049 61.257 61.300 -0.154 0.000 1.383 157 I CB 1.299 39.354 38.000 0.093 0.000 1.412 157 I HN 0.662 nan 8.210 nan 0.000 0.531 158 S N 3.511 118.511 115.700 -1.166 0.000 2.652 158 S HA 0.173 4.643 4.470 0.000 0.000 0.270 158 S C 1.318 175.650 174.600 -0.448 0.000 1.243 158 S CA -0.016 57.624 58.200 -0.933 0.000 0.999 158 S CB 0.990 63.319 63.200 -1.451 0.000 0.973 158 S HN 0.705 nan 8.310 nan 0.000 0.544 159 S N 1.813 117.372 115.700 -0.234 0.000 2.453 159 S HA -0.016 4.454 4.470 0.000 0.000 0.231 159 S C 1.157 175.781 174.600 0.039 0.000 1.005 159 S CA 0.779 58.940 58.200 -0.066 0.000 0.949 159 S CB -0.580 62.600 63.200 -0.035 0.000 0.774 159 S HN 0.835 nan 8.310 nan 0.000 0.510 160 E N -0.047 120.191 120.200 0.064 0.000 2.358 160 E HA 0.013 4.363 4.350 0.000 0.000 0.195 160 E C -0.068 176.780 176.600 0.413 0.000 1.010 160 E CA 0.091 56.644 56.400 0.255 0.000 0.856 160 E CB 0.019 29.966 29.700 0.412 0.000 0.795 160 E HN 0.578 nan 8.360 nan 0.000 0.504 161 W N 0.399 121.791 121.300 0.152 0.000 2.086 161 W HA 0.131 4.791 4.660 0.000 0.000 0.355 161 W C 1.498 178.071 176.519 0.090 0.000 1.313 161 W CA -1.202 56.220 57.345 0.129 0.000 1.358 161 W CB -0.223 29.305 29.460 0.114 0.000 1.166 161 W HN -0.039 nan 8.180 nan 0.000 0.630 162 M N 1.671 121.462 119.600 0.319 0.000 2.110 162 M HA -0.245 4.235 4.480 0.000 0.000 0.257 162 M C 1.623 178.001 176.300 0.130 0.000 1.071 162 M CA 2.045 57.445 55.300 0.166 0.000 1.096 162 M CB -0.795 31.881 32.600 0.128 0.000 1.300 162 M HN 0.291 nan 8.290 nan 0.000 0.411 163 I N 0.046 120.733 120.570 0.195 0.000 2.286 163 I HA -0.204 3.966 4.170 0.000 0.000 0.248 163 I C 2.510 178.765 176.117 0.229 0.000 1.115 163 I CA 1.540 62.968 61.300 0.213 0.000 1.392 163 I CB -2.285 35.882 38.000 0.278 0.000 1.065 163 I HN 0.391 nan 8.210 nan 0.000 0.418 164 A N 0.963 123.910 122.820 0.212 0.000 1.930 164 A HA -0.193 4.127 4.320 0.000 0.000 0.217 164 A C 2.379 180.036 177.584 0.121 0.000 1.175 164 A CA 1.428 53.570 52.037 0.175 0.000 0.627 164 A CB -0.436 18.623 19.000 0.099 0.000 0.815 164 A HN 0.359 nan 8.150 nan 0.000 0.443 165 K N -0.660 119.791 120.400 0.084 0.000 2.103 165 K HA -0.029 4.291 4.320 0.000 0.000 0.204 165 K C 1.908 178.476 176.600 -0.053 0.000 1.052 165 K CA 1.151 57.447 56.287 0.016 0.000 0.945 165 K CB -0.332 32.159 32.500 -0.014 0.000 0.722 165 K HN 0.319 nan 8.250 nan 0.000 0.443 166 V N 0.420 120.262 119.914 -0.119 0.000 2.358 166 V HA -0.182 3.938 4.120 0.000 0.000 0.246 166 V C 1.716 177.811 176.094 0.002 0.000 1.047 166 V CA 1.420 63.538 62.300 -0.304 0.000 1.035 166 V CB -0.332 31.244 31.823 -0.411 0.000 0.658 166 V HN 0.509 nan 8.190 nan 0.000 0.452 167 W N 0.951 122.192 121.300 -0.099 0.000 2.358 167 W HA -0.181 4.479 4.660 0.000 0.000 0.303 167 W C 2.514 178.975 176.519 -0.097 0.000 1.208 167 W CA 1.991 59.282 57.345 -0.089 0.000 1.274 167 W CB -0.803 28.630 29.460 -0.045 0.000 1.138 167 W HN 0.449 nan 8.180 nan 0.000 0.515 168 Q N -0.036 119.831 119.800 0.111 0.000 2.135 168 Q HA -0.220 4.120 4.340 0.000 0.000 0.204 168 Q C 2.238 178.205 176.000 -0.055 0.000 0.981 168 Q CA 2.433 58.239 55.803 0.006 0.000 0.856 168 Q CB -0.441 28.335 28.738 0.065 0.000 0.902 168 Q HN 0.331 nan 8.270 nan 0.000 0.425 169 I N 0.358 120.909 120.570 -0.031 0.000 2.252 169 I HA -0.260 3.910 4.170 0.000 0.000 0.245 169 I C 2.342 178.438 176.117 -0.035 0.000 1.102 169 I CA 0.451 61.686 61.300 -0.107 0.000 1.385 169 I CB -0.319 37.759 38.000 0.129 0.000 1.064 169 I HN 0.301 nan 8.210 nan 0.000 0.414 170 L N 1.378 122.598 121.223 -0.004 0.000 2.012 170 L HA -0.277 4.063 4.340 0.000 0.000 0.210 170 L C 2.060 178.887 176.870 -0.073 0.000 1.073 170 L CA 2.297 57.019 54.840 -0.198 0.000 0.748 170 L CB -0.786 40.978 42.059 -0.492 0.000 0.891 170 L HN 0.251 nan 8.230 nan 0.000 0.431 171 D N -0.798 119.604 120.400 0.004 0.000 2.097 171 D HA -0.200 4.440 4.640 0.000 0.000 0.197 171 D C 1.964 178.243 176.300 -0.035 0.000 0.984 171 D CA 1.810 55.808 54.000 -0.002 0.000 0.826 171 D CB -0.023 40.753 40.800 -0.040 0.000 0.973 171 D HN 0.608 nan 8.370 nan 0.000 0.460 172 E N -1.064 119.083 120.200 -0.089 0.000 2.318 172 E HA 0.263 4.613 4.350 0.000 0.000 0.193 172 E C 0.117 176.673 176.600 -0.073 0.000 0.998 172 E CA 0.541 56.896 56.400 -0.076 0.000 0.859 172 E CB 0.537 30.206 29.700 -0.051 0.000 0.812 172 E HN 0.227 nan 8.360 nan 0.000 0.492 173 A N 1.252 124.005 122.820 -0.113 0.000 3.409 173 A HA 0.137 4.457 4.320 0.000 0.000 0.282 173 A C 0.492 178.123 177.584 0.078 0.000 1.064 173 A CA -0.454 51.588 52.037 0.009 0.000 0.889 173 A CB 0.104 19.127 19.000 0.038 0.000 1.251 173 A HN 0.110 nan 8.150 nan 0.000 0.538 174 E N 1.213 121.457 120.200 0.075 0.000 2.219 174 E HA -0.287 4.063 4.350 0.000 0.000 0.198 174 E C 1.432 178.135 176.600 0.172 0.000 0.998 174 E CA 1.948 58.419 56.400 0.118 0.000 0.818 174 E CB 0.138 29.878 29.700 0.068 0.000 0.741 174 E HN 0.785 nan 8.360 nan 0.000 0.477 175 D N -0.186 120.303 120.400 0.147 0.000 2.144 175 D HA -0.140 4.500 4.640 0.000 0.000 0.200 175 D C 2.004 178.375 176.300 0.118 0.000 0.978 175 D CA 0.847 54.942 54.000 0.158 0.000 0.833 175 D CB -0.492 40.426 40.800 0.197 0.000 0.961 175 D HN 0.214 nan 8.370 nan 0.000 0.470 176 V N 0.266 120.250 119.914 0.117 0.000 2.307 176 V HA -0.243 3.877 4.120 0.000 0.000 0.245 176 V C 2.391 178.499 176.094 0.022 0.000 1.045 176 V CA 1.462 63.761 62.300 -0.001 0.000 1.024 176 V CB -0.953 30.939 31.823 0.114 0.000 0.651 176 V HN 0.106 nan 8.190 nan 0.000 0.449 177 Y N 1.798 122.132 120.300 0.057 0.000 2.114 177 Y HA -0.329 4.221 4.550 0.000 0.000 0.282 177 Y C 2.309 178.219 175.900 0.016 0.000 1.165 177 Y CA 2.479 60.654 58.100 0.125 0.000 1.148 177 Y CB -0.507 38.035 38.460 0.137 0.000 0.972 177 Y HN 0.364 nan 8.280 nan 0.000 0.504 178 N N -0.827 117.931 118.700 0.097 0.000 2.331 178 N HA -0.103 4.637 4.740 0.000 0.000 0.180 178 N C 1.754 177.187 175.510 -0.128 0.000 1.019 178 N CA 0.363 53.408 53.050 -0.008 0.000 0.881 178 N CB -0.075 38.469 38.487 0.095 0.000 0.972 178 N HN 0.176 nan 8.380 nan 0.000 0.435 179 R N 0.536 120.936 120.500 -0.167 0.000 2.275 179 R HA 0.088 4.428 4.340 0.000 0.000 0.199 179 R C -0.117 175.989 176.300 -0.323 0.000 0.989 179 R CA 0.447 56.405 56.100 -0.237 0.000 1.016 179 R CB 0.026 30.100 30.300 -0.377 0.000 0.918 179 R HN 0.108 nan 8.270 nan 0.000 0.473 180 T N 0.747 115.060 114.554 -0.402 0.000 2.814 180 T HA -0.019 4.331 4.350 0.000 0.000 0.297 180 T C 0.561 174.951 174.700 -0.515 0.000 0.956 180 T CA 0.030 61.808 62.100 -0.537 0.000 1.123 180 T CB 1.379 69.745 68.868 -0.837 0.000 0.902 180 T HN 0.140 nan 8.240 nan 0.000 0.528 181 D N 2.531 122.685 120.400 -0.411 0.000 2.194 181 D HA -0.010 4.630 4.640 0.000 0.000 0.204 181 D C 0.758 176.837 176.300 -0.369 0.000 0.964 181 D CA 0.809 54.618 54.000 -0.319 0.000 0.846 181 D CB 0.374 41.043 40.800 -0.217 0.000 0.962 181 D HN 0.769 nan 8.370 nan 0.000 0.490 182 Q N -1.588 117.918 119.800 -0.490 0.000 2.736 182 Q HA 0.176 4.516 4.340 0.000 0.000 0.273 182 Q C -1.692 173.968 176.000 -0.566 0.000 0.948 182 Q CA -0.882 54.636 55.803 -0.475 0.000 0.854 182 Q CB 0.119 28.720 28.738 -0.228 0.000 1.569 182 Q HN -0.057 nan 8.270 nan 0.000 0.405 183 F N 1.265 121.141 119.950 -0.125 0.000 2.404 183 F HA 0.666 5.193 4.527 0.000 0.000 0.339 183 F C -0.206 175.548 175.800 -0.077 0.000 1.105 183 F CA -0.521 57.419 58.000 -0.100 0.000 1.087 183 F CB 1.360 40.316 39.000 -0.073 0.000 1.143 183 F HN 0.375 nan 8.300 nan 0.000 0.491 184 L N 1.776 123.050 121.223 0.085 0.000 2.401 184 L HA 0.425 4.765 4.340 0.000 0.000 0.266 184 L C -0.489 176.391 176.870 0.018 0.000 0.991 184 L CA -1.200 53.667 54.840 0.044 0.000 0.818 184 L CB 2.246 44.337 42.059 0.054 0.000 1.321 184 L HN 0.440 nan 8.230 nan 0.000 0.413 185 E N 0.914 121.109 120.200 -0.008 0.000 2.392 185 E HA 0.186 4.536 4.350 0.000 0.000 0.264 185 E C 0.706 177.217 176.600 -0.149 0.000 1.024 185 E CA 0.649 57.012 56.400 -0.062 0.000 0.903 185 E CB 1.716 31.380 29.700 -0.061 0.000 0.963 185 E HN 0.593 nan 8.360 nan 0.000 0.432 186 A N 3.337 125.958 122.820 -0.331 0.000 1.978 186 A HA -0.193 4.127 4.320 0.000 0.000 0.220 186 A C 2.183 179.261 177.584 -0.843 0.000 1.170 186 A CA 2.128 53.781 52.037 -0.640 0.000 0.636 186 A CB -0.835 17.442 19.000 -1.206 0.000 0.810 186 A HN 0.717 nan 8.150 nan 0.000 0.448 187 T N -0.721 113.390 114.554 -0.737 0.000 2.788 187 T HA -0.133 4.217 4.350 0.000 0.000 0.268 187 T C 1.544 176.148 174.700 -0.160 0.000 1.044 187 T CA 1.765 63.666 62.100 -0.333 0.000 1.139 187 T CB -0.469 68.374 68.868 -0.042 0.000 0.867 187 T HN 0.483 nan 8.240 nan 0.000 0.454 188 D N -0.530 119.793 120.400 -0.128 0.000 2.149 188 D HA -0.040 4.600 4.640 0.000 0.000 0.201 188 D C 1.551 177.824 176.300 -0.046 0.000 0.972 188 D CA 0.692 54.648 54.000 -0.073 0.000 0.835 188 D CB -0.362 40.405 40.800 -0.055 0.000 0.966 188 D HN 0.574 nan 8.370 nan 0.000 0.476 189 W N 1.496 122.686 121.300 -0.184 0.000 2.388 189 W HA -0.100 4.560 4.660 0.000 0.000 0.294 189 W C 1.928 178.384 176.519 -0.105 0.000 1.212 189 W CA 0.565 57.828 57.345 -0.137 0.000 1.271 189 W CB -0.214 29.165 29.460 -0.137 0.000 1.126 189 W HN -0.185 nan 8.180 nan 0.000 0.535 190 I N 1.217 121.670 120.570 -0.195 0.000 2.226 190 I HA -0.208 3.962 4.170 0.000 0.000 0.245 190 I C 2.426 178.377 176.117 -0.276 0.000 1.100 190 I CA 1.990 63.101 61.300 -0.315 0.000 1.374 190 I CB -1.312 36.607 38.000 -0.134 0.000 1.057 190 I HN 0.073 nan 8.210 nan 0.000 0.413 191 V N -1.936 117.880 119.914 -0.163 0.000 2.809 191 V HA -0.115 4.005 4.120 0.000 0.000 0.256 191 V C 2.464 178.453 176.094 -0.174 0.000 1.080 191 V CA 1.818 64.051 62.300 -0.112 0.000 1.102 191 V CB -0.803 30.988 31.823 -0.055 0.000 0.705 191 V HN 0.375 nan 8.190 nan 0.000 0.475 192 S N -0.279 115.261 115.700 -0.267 0.000 2.402 192 S HA -0.177 4.293 4.470 0.000 0.000 0.229 192 S C 2.044 176.442 174.600 -0.336 0.000 1.021 192 S CA 1.473 59.506 58.200 -0.278 0.000 0.974 192 S CB -0.339 62.679 63.200 -0.303 0.000 0.800 192 S HN 0.741 nan 8.310 nan 0.000 0.484 193 Q N 0.225 119.725 119.800 -0.500 0.000 2.245 193 Q HA 0.152 4.492 4.340 0.000 0.000 0.201 193 Q C 1.994 177.864 176.000 -0.217 0.000 0.955 193 Q CA 0.850 56.397 55.803 -0.425 0.000 0.870 193 Q CB -0.302 28.066 28.738 -0.618 0.000 0.945 193 Q HN 0.610 nan 8.270 nan 0.000 0.461 194 M N -0.896 118.601 119.600 -0.171 0.000 2.388 194 M HA -0.041 4.439 4.480 0.000 0.000 0.265 194 M C 1.892 178.149 176.300 -0.072 0.000 1.088 194 M CA 1.102 56.351 55.300 -0.085 0.000 1.134 194 M CB 0.174 32.747 32.600 -0.045 0.000 1.384 194 M HN 0.020 nan 8.290 nan 0.000 0.447 195 T N -1.465 113.035 114.554 -0.090 0.000 2.990 195 T HA 0.233 4.583 4.350 0.000 0.000 0.249 195 T C 1.260 175.918 174.700 -0.070 0.000 1.039 195 T CA 1.114 63.173 62.100 -0.068 0.000 1.036 195 T CB 0.127 68.958 68.868 -0.062 0.000 0.994 195 T HN 0.595 nan 8.240 nan 0.000 0.489 196 G N 1.531 110.274 108.800 -0.094 0.000 2.179 196 G HA2 -0.210 3.750 3.960 0.000 0.000 0.260 196 G HA3 -0.210 3.750 3.960 0.000 0.000 0.260 196 G C 0.010 174.867 174.900 -0.071 0.000 0.977 196 G CA 0.410 45.463 45.100 -0.079 0.000 0.641 196 G HN 0.573 nan 8.290 nan 0.000 0.533 197 K N -0.465 119.889 120.400 -0.076 0.000 2.259 197 K HA 0.662 4.982 4.320 0.000 0.000 0.252 197 K C -0.721 175.835 176.600 -0.073 0.000 0.936 197 K CA -1.112 55.137 56.287 -0.064 0.000 0.810 197 K CB 1.676 34.144 32.500 -0.053 0.000 1.143 197 K HN 0.019 nan 8.250 nan 0.000 0.427 198 I N 2.992 123.525 120.570 -0.061 0.000 2.291 198 I HA 0.117 4.287 4.170 0.000 0.000 0.292 198 I C -0.834 175.246 176.117 -0.061 0.000 1.064 198 I CA -0.237 61.029 61.300 -0.057 0.000 1.269 198 I CB 1.174 39.149 38.000 -0.042 0.000 1.418 198 I HN 0.184 nan 8.210 nan 0.000 0.485 199 V N 7.262 127.134 119.914 -0.070 0.000 2.409 199 V HA 0.351 4.471 4.120 0.000 0.000 0.290 199 V C 0.035 176.072 176.094 -0.096 0.000 1.017 199 V CA -1.090 61.162 62.300 -0.079 0.000 0.841 199 V CB 1.253 33.032 31.823 -0.073 0.000 1.003 199 V HN 0.498 nan 8.190 nan 0.000 0.426 200 K N 4.872 125.203 120.400 -0.116 0.000 2.297 200 K HA 0.299 4.619 4.320 0.000 0.000 0.286 200 K C 0.145 176.621 176.600 -0.207 0.000 1.053 200 K CA -0.312 55.886 56.287 -0.147 0.000 0.940 200 K CB 1.045 33.454 32.500 -0.152 0.000 1.019 200 K HN 0.839 nan 8.250 nan 0.000 0.475 201 N N 0.840 119.423 118.700 -0.194 0.000 2.513 201 N HA -0.027 4.713 4.740 0.000 0.000 0.274 201 N C 0.560 175.887 175.510 -0.305 0.000 1.189 201 N CA -0.252 52.663 53.050 -0.223 0.000 0.975 201 N CB 1.344 39.727 38.487 -0.173 0.000 1.157 201 N HN 0.513 nan 8.380 nan 0.000 0.465 202 S N 0.534 116.040 115.700 -0.324 0.000 2.481 202 S HA -0.133 4.337 4.470 0.000 0.000 0.231 202 S C 1.907 176.399 174.600 -0.179 0.000 0.996 202 S CA 0.232 58.213 58.200 -0.365 0.000 0.942 202 S CB -0.753 62.325 63.200 -0.203 0.000 0.768 202 S HN 0.713 nan 8.310 nan 0.000 0.520 203 C N 2.906 122.121 119.300 -0.141 0.000 2.496 203 C HA -0.053 4.407 4.460 0.000 0.000 0.281 203 C C 3.304 178.291 174.990 -0.005 0.000 1.250 203 C CA 1.714 60.695 59.018 -0.061 0.000 1.717 203 C CB -1.409 26.259 27.740 -0.120 0.000 2.082 203 C HN 0.796 nan 8.230 nan 0.000 0.472 204 T N -0.009 114.514 114.554 -0.052 0.000 2.867 204 T HA 0.021 4.371 4.350 0.000 0.000 0.268 204 T C 1.907 176.591 174.700 -0.027 0.000 1.057 204 T CA 1.599 63.685 62.100 -0.023 0.000 1.136 204 T CB -0.629 68.223 68.868 -0.026 0.000 0.874 204 T HN 0.619 nan 8.240 nan 0.000 0.466 205 A N 2.060 124.827 122.820 -0.088 0.000 1.858 205 A HA 0.239 4.559 4.320 0.000 0.000 0.216 205 A C 2.704 180.338 177.584 0.084 0.000 1.190 205 A CA 1.734 53.729 52.037 -0.070 0.000 0.617 205 A CB -1.644 17.100 19.000 -0.427 0.000 0.827 205 A HN 0.589 nan 8.150 nan 0.000 0.443 206 G N -1.560 107.289 108.800 0.082 0.000 2.453 206 G HA2 -0.196 3.764 3.960 0.000 0.000 0.215 206 G HA3 -0.196 3.764 3.960 0.000 0.000 0.215 206 G C 1.483 176.341 174.900 -0.069 0.000 1.201 206 G CA 1.220 46.367 45.100 0.078 0.000 0.784 206 G HN 0.574 nan 8.290 nan 0.000 0.545 207 Y N 0.823 121.109 120.300 -0.022 0.000 2.314 207 Y HA 0.076 4.626 4.550 0.000 0.000 0.293 207 Y C 2.676 178.231 175.900 -0.575 0.000 1.129 207 Y CA 1.203 59.200 58.100 -0.171 0.000 1.201 207 Y CB 0.328 38.653 38.460 -0.224 0.000 0.999 207 Y HN 0.048 nan 8.280 nan 0.000 0.541 208 K N -0.939 119.305 120.400 -0.260 0.000 2.365 208 K HA 0.351 4.671 4.320 0.000 0.000 0.195 208 K C 1.158 177.745 176.600 -0.021 0.000 1.079 208 K CA 0.804 56.890 56.287 -0.335 0.000 0.979 208 K CB 0.365 32.778 32.500 -0.146 0.000 0.929 208 K HN 0.093 nan 8.250 nan 0.000 0.523 209 A N 1.377 124.237 122.820 0.066 0.000 2.574 209 A HA 0.345 4.665 4.320 0.000 0.000 0.283 209 A C 0.397 178.144 177.584 0.271 0.000 1.270 209 A CA -0.421 51.732 52.037 0.194 0.000 0.945 209 A CB -0.570 18.587 19.000 0.263 0.000 1.127 209 A HN 0.300 nan 8.150 nan 0.000 0.522 210 I N -2.016 118.604 120.570 0.083 0.000 6.250 210 I HA -0.258 3.912 4.170 0.000 0.000 0.126 210 I C 0.236 176.499 176.117 0.244 0.000 1.820 210 I CA 0.274 61.583 61.300 0.014 0.000 2.062 210 I CB -1.544 36.305 38.000 -0.251 0.000 3.453 210 I HN 0.705 nan 8.210 nan 0.000 0.177 211 W N 2.455 123.773 121.300 0.030 0.000 2.375 211 W HA 0.636 5.296 4.660 0.000 0.000 0.336 211 W C 0.216 176.695 176.519 -0.066 0.000 1.160 211 W CA -0.168 57.049 57.345 -0.213 0.000 1.266 211 W CB 0.693 29.901 29.460 -0.420 0.000 1.195 211 W HN 0.178 nan 8.180 nan 0.000 0.599 212 H N 3.155 121.520 119.070 -1.174 0.000 2.856 212 H HA 0.189 4.745 4.556 0.000 0.000 0.355 212 H C 0.829 175.092 175.328 -1.775 0.000 1.079 212 H CA -0.625 54.775 56.048 -1.081 0.000 1.240 212 H CB 1.954 31.396 29.762 -0.533 0.000 1.701 212 H HN 0.599 nan 8.280 nan 0.000 0.527 213 K N 2.839 122.057 120.400 -1.970 0.000 2.063 213 K HA -0.102 4.218 4.320 0.000 0.000 0.208 213 K C 1.345 177.510 176.600 -0.725 0.000 1.048 213 K CA 1.473 56.917 56.287 -1.405 0.000 0.928 213 K CB 0.217 32.279 32.500 -0.729 0.000 0.713 213 K HN 0.605 nan 8.250 nan 0.000 0.442 214 R N -0.104 119.988 120.500 -0.680 0.000 2.075 214 R HA 0.009 4.349 4.340 0.000 0.000 0.220 214 R C 1.908 178.153 176.300 -0.092 0.000 1.118 214 R CA 1.123 57.062 56.100 -0.267 0.000 0.986 214 R CB 0.081 30.280 30.300 -0.168 0.000 0.884 214 R HN 0.219 nan 8.270 nan 0.000 0.439 215 E N 0.047 120.310 120.200 0.104 0.000 2.478 215 E HA 0.098 4.448 4.350 0.000 0.000 0.194 215 E C 0.583 177.150 176.600 -0.055 0.000 1.045 215 E CA 0.213 56.635 56.400 0.036 0.000 0.868 215 E CB 0.555 30.260 29.700 0.008 0.000 0.885 215 E HN 0.397 nan 8.360 nan 0.000 0.505 216 G N 0.723 109.386 108.800 -0.229 0.000 2.645 216 G HA2 -0.326 3.634 3.960 0.000 0.000 0.239 216 G HA3 -0.326 3.634 3.960 0.000 0.000 0.239 216 G C -0.387 174.423 174.900 -0.150 0.000 1.331 216 G CA -0.288 44.672 45.100 -0.233 0.000 0.890 216 G HN 0.239 nan 8.290 nan 0.000 0.572 217 Y N 1.184 121.555 120.300 0.118 0.000 2.260 217 Y HA 0.435 4.985 4.550 0.000 0.000 0.339 217 Y C -1.096 174.873 175.900 0.114 0.000 1.317 217 Y CA -0.628 57.560 58.100 0.146 0.000 1.514 217 Y CB 0.162 38.731 38.460 0.183 0.000 1.382 217 Y HN 0.416 nan 8.280 nan 0.000 0.581 218 P HA 0.028 nan 4.420 nan 0.000 0.272 218 P C -0.846 176.668 177.300 0.357 0.000 1.230 218 P CA -0.412 62.786 63.100 0.164 0.000 0.788 218 P CB 0.511 32.055 31.700 -0.260 0.000 0.949 219 S N 0.690 116.552 115.700 0.270 0.000 2.569 219 S HA -0.001 4.469 4.470 0.000 0.000 0.274 219 S C 1.072 175.882 174.600 0.350 0.000 1.353 219 S CA 0.074 58.430 58.200 0.261 0.000 1.023 219 S CB -0.191 63.125 63.200 0.192 0.000 0.876 219 S HN 0.397 nan 8.310 nan 0.000 0.540 220 N N 0.912 119.741 118.700 0.216 0.000 2.223 220 N HA -0.122 4.618 4.740 0.000 0.000 0.185 220 N C 1.497 177.084 175.510 0.128 0.000 1.016 220 N CA 1.085 54.219 53.050 0.140 0.000 0.863 220 N CB -0.109 38.366 38.487 -0.021 0.000 0.983 220 N HN 0.638 nan 8.380 nan 0.000 0.429 221 E N 0.928 121.198 120.200 0.116 0.000 2.085 221 E HA -0.182 4.168 4.350 0.000 0.000 0.194 221 E C 1.674 178.317 176.600 0.071 0.000 0.994 221 E CA 0.740 57.184 56.400 0.072 0.000 0.801 221 E CB -0.387 29.360 29.700 0.078 0.000 0.743 221 E HN 0.380 nan 8.360 nan 0.000 0.453 222 F N 0.650 120.613 119.950 0.022 0.000 2.075 222 F HA -0.208 4.319 4.527 0.000 0.000 0.297 222 F C 2.106 177.803 175.800 -0.172 0.000 1.113 222 F CA 1.332 59.294 58.000 -0.064 0.000 1.218 222 F CB -0.529 38.425 39.000 -0.076 0.000 0.984 222 F HN -0.103 nan 8.300 nan 0.000 0.472 223 F N 0.972 120.864 119.950 -0.097 0.000 2.161 223 F HA -0.178 4.349 4.527 0.000 0.000 0.300 223 F C 2.561 178.132 175.800 -0.382 0.000 1.089 223 F CA 1.946 59.776 58.000 -0.283 0.000 1.282 223 F CB -0.764 38.154 39.000 -0.136 0.000 1.010 223 F HN -0.046 nan 8.300 nan 0.000 0.485 224 K N 0.637 120.974 120.400 -0.104 0.000 2.057 224 K HA -0.171 4.149 4.320 0.000 0.000 0.207 224 K C 2.220 178.691 176.600 -0.215 0.000 1.049 224 K CA 1.210 57.408 56.287 -0.148 0.000 0.931 224 K CB -0.325 32.116 32.500 -0.099 0.000 0.714 224 K HN 0.196 nan 8.250 nan 0.000 0.440 225 A N 0.963 123.622 122.820 -0.269 0.000 2.076 225 A HA -0.121 4.199 4.320 0.000 0.000 0.220 225 A C 1.875 179.255 177.584 -0.341 0.000 1.160 225 A CA 1.043 52.913 52.037 -0.278 0.000 0.653 225 A CB -0.322 18.498 19.000 -0.299 0.000 0.801 225 A HN 0.246 nan 8.150 nan 0.000 0.455 226 L N -0.936 119.967 121.223 -0.532 0.000 2.102 226 L HA 0.169 4.509 4.340 0.000 0.000 0.202 226 L C 0.440 177.036 176.870 -0.456 0.000 1.076 226 L CA 1.302 55.753 54.840 -0.649 0.000 0.761 226 L CB -0.849 40.422 42.059 -1.315 0.000 0.921 226 L HN 0.459 nan 8.230 nan 0.000 0.444 227 D N -2.292 117.844 120.400 -0.439 0.000 2.795 227 D HA 0.123 4.763 4.640 0.000 0.000 0.206 227 D C -2.279 173.896 176.300 -0.207 0.000 1.278 227 D CA -1.096 52.753 54.000 -0.252 0.000 0.839 227 D CB 2.452 43.079 40.800 -0.288 0.000 1.700 227 D HN -0.226 nan 8.370 nan 0.000 0.549 228 P HA -0.096 nan 4.420 nan 0.000 0.217 228 P C 1.015 178.269 177.300 -0.077 0.000 1.148 228 P CA 1.148 64.195 63.100 -0.087 0.000 0.828 228 P CB 0.223 31.894 31.700 -0.047 0.000 0.783 229 R N -0.981 119.468 120.500 -0.085 0.000 2.328 229 R HA 0.028 4.368 4.340 0.000 0.000 0.207 229 R C 1.562 177.832 176.300 -0.051 0.000 1.056 229 R CA 0.663 56.730 56.100 -0.056 0.000 1.016 229 R CB -0.556 29.686 30.300 -0.096 0.000 0.872 229 R HN 0.301 nan 8.270 nan 0.000 0.471 230 L N -0.366 120.785 121.223 -0.119 0.000 2.640 230 L HA 0.107 4.447 4.340 0.000 0.000 0.230 230 L C 1.998 178.818 176.870 -0.084 0.000 1.123 230 L CA -0.008 54.779 54.840 -0.088 0.000 0.900 230 L CB -0.035 41.925 42.059 -0.165 0.000 1.146 230 L HN 0.167 nan 8.230 nan 0.000 0.484 231 E N 0.692 120.815 120.200 -0.130 0.000 2.086 231 E HA -0.258 4.092 4.350 0.000 0.000 0.200 231 E C 1.084 177.428 176.600 -0.428 0.000 1.012 231 E CA 1.455 57.691 56.400 -0.272 0.000 0.812 231 E CB 0.140 29.597 29.700 -0.404 0.000 0.743 231 E HN 0.565 nan 8.360 nan 0.000 0.453 232 H N -0.490 118.553 119.070 -0.045 0.000 2.505 232 H HA 0.029 4.585 4.556 0.000 0.000 0.286 232 H C 1.593 176.839 175.328 -0.136 0.000 1.072 232 H CA -0.007 55.995 56.048 -0.076 0.000 1.141 232 H CB 0.567 30.306 29.762 -0.039 0.000 1.550 232 H HN 0.207 nan 8.280 nan 0.000 0.547 233 L N 1.074 122.211 121.223 -0.143 0.000 2.021 233 L HA -0.190 4.150 4.340 0.000 0.000 0.215 233 L C 1.962 178.652 176.870 -0.300 0.000 1.074 233 L CA 1.920 56.645 54.840 -0.193 0.000 0.760 233 L CB -0.949 40.907 42.059 -0.339 0.000 0.889 233 L HN 0.037 nan 8.230 nan 0.000 0.433 234 T N -1.120 113.146 114.554 -0.479 0.000 2.881 234 T HA -0.120 4.230 4.350 0.000 0.000 0.270 234 T C 1.385 175.965 174.700 -0.201 0.000 1.068 234 T CA 1.678 63.489 62.100 -0.483 0.000 1.131 234 T CB -0.477 68.093 68.868 -0.497 0.000 0.871 234 T HN 0.741 nan 8.240 nan 0.000 0.479 235 T N -1.082 113.418 114.554 -0.091 0.000 3.092 235 T HA 0.207 4.558 4.350 0.000 0.000 0.258 235 T C 1.464 176.137 174.700 -0.044 0.000 1.031 235 T CA 0.480 62.565 62.100 -0.025 0.000 0.925 235 T CB 0.169 69.054 68.868 0.029 0.000 1.036 235 T HN 0.487 nan 8.240 nan 0.000 0.544 236 T N 0.343 114.855 114.554 -0.070 0.000 3.364 236 T HA 0.306 4.656 4.350 0.000 0.000 0.179 236 T C 1.412 176.038 174.700 -0.124 0.000 0.939 236 T CA -0.381 61.668 62.100 -0.085 0.000 1.094 236 T CB -0.068 68.760 68.868 -0.068 0.000 1.532 236 T HN 0.100 nan 8.240 nan 0.000 0.346 237 K N 1.093 121.410 120.400 -0.138 0.000 2.504 237 K HA 0.336 4.656 4.320 0.000 0.000 0.195 237 K C 0.708 177.268 176.600 -0.066 0.000 1.036 237 K CA 0.535 56.713 56.287 -0.182 0.000 0.984 237 K CB -0.099 32.263 32.500 -0.230 0.000 0.788 237 K HN 0.365 nan 8.250 nan 0.000 0.488 238 L N 1.312 122.484 121.223 -0.085 0.000 3.431 238 L HA 0.175 4.515 4.340 0.000 0.000 0.316 238 L C 0.108 176.907 176.870 -0.118 0.000 1.305 238 L CA -0.549 54.234 54.840 -0.095 0.000 0.995 238 L CB 0.358 42.307 42.059 -0.183 0.000 1.411 238 L HN 0.108 nan 8.230 nan 0.000 0.610 239 R N 0.142 120.592 120.500 -0.084 0.000 2.738 239 R HA 0.667 5.007 4.340 0.000 0.000 0.275 239 R C 0.069 176.362 176.300 -0.011 0.000 1.121 239 R CA 0.417 56.495 56.100 -0.037 0.000 1.207 239 R CB 0.424 30.697 30.300 -0.045 0.000 1.141 239 R HN 0.015 nan 8.270 nan 0.000 0.571 240 G N 0.697 109.503 108.800 0.009 0.000 2.697 240 G HA2 -0.060 3.900 3.960 0.000 0.000 0.684 240 G HA3 -0.060 3.900 3.960 0.000 0.000 0.684 240 G C -1.564 173.324 174.900 -0.020 0.000 1.274 240 G CA -0.705 44.385 45.100 -0.016 0.000 0.806 240 G HN 0.661 nan 8.290 nan 0.000 0.644 241 D N 0.316 120.690 120.400 -0.044 0.000 2.382 241 D HA 0.392 5.032 4.640 0.000 0.000 0.245 241 D C 0.503 176.698 176.300 -0.175 0.000 1.120 241 D CA 0.371 54.331 54.000 -0.067 0.000 0.890 241 D CB 1.591 42.365 40.800 -0.043 0.000 1.201 241 D HN 0.296 nan 8.370 nan 0.000 0.433 242 I N 1.767 122.150 120.570 -0.312 0.000 2.331 242 I HA 0.074 4.244 4.170 0.000 0.000 0.292 242 I C 0.179 176.071 176.117 -0.374 0.000 0.998 242 I CA -0.593 60.373 61.300 -0.556 0.000 1.267 242 I CB 1.494 38.660 38.000 -1.391 0.000 1.386 242 I HN 0.085 nan 8.210 nan 0.000 0.476 243 V N 6.223 125.963 119.914 -0.289 0.000 2.581 243 V HA 0.740 4.860 4.120 0.000 0.000 0.303 243 V C -2.530 173.459 176.094 -0.175 0.000 1.041 243 V CA -2.258 59.936 62.300 -0.176 0.000 0.907 243 V CB 1.381 33.131 31.823 -0.122 0.000 0.994 243 V HN 0.555 nan 8.190 nan 0.000 0.442 244 P HA 0.148 nan 4.420 nan 0.000 0.269 244 P C -0.388 176.828 177.300 -0.140 0.000 1.215 244 P CA -0.311 62.730 63.100 -0.098 0.000 0.780 244 P CB 0.724 32.404 31.700 -0.032 0.000 0.898 245 L N 1.740 122.826 121.223 -0.228 0.000 2.506 245 L HA 0.180 4.520 4.340 0.000 0.000 0.281 245 L C 1.983 178.676 176.870 -0.294 0.000 1.228 245 L CA 2.055 56.613 54.840 -0.469 0.000 0.850 245 L CB -1.506 40.000 42.059 -0.922 0.000 1.110 245 L HN 0.905 nan 8.230 nan 0.000 0.496 246 G N 1.344 110.028 108.800 -0.193 0.000 2.176 246 G HA2 -0.244 3.716 3.960 0.000 0.000 0.253 246 G HA3 -0.244 3.716 3.960 0.000 0.000 0.253 246 G C 0.339 175.316 174.900 0.128 0.000 0.979 246 G CA 0.198 45.457 45.100 0.266 0.000 0.641 246 G HN 0.556 nan 8.290 nan 0.000 0.530 247 E N 0.221 120.437 120.200 0.027 0.000 2.313 247 E HA 0.581 4.931 4.350 0.000 0.000 0.272 247 E C 0.683 177.292 176.600 0.014 0.000 1.038 247 E CA -0.979 55.431 56.400 0.016 0.000 0.863 247 E CB 0.461 30.149 29.700 -0.020 0.000 1.060 247 E HN 0.355 nan 8.360 nan 0.000 0.402 248 R N 2.622 123.132 120.500 0.016 0.000 2.296 248 R HA 0.256 4.596 4.340 0.000 0.000 0.323 248 R C 0.289 176.584 176.300 -0.008 0.000 1.067 248 R CA 0.318 56.425 56.100 0.012 0.000 0.946 248 R CB 0.414 30.722 30.300 0.014 0.000 0.991 248 R HN 0.611 nan 8.270 nan 0.000 0.448 249 A N 3.625 126.437 122.820 -0.014 0.000 2.067 249 A HA 0.241 4.561 4.320 0.000 0.000 0.217 249 A C 0.871 178.438 177.584 -0.029 0.000 1.156 249 A CA 1.138 53.156 52.037 -0.031 0.000 0.683 249 A CB 0.075 19.051 19.000 -0.039 0.000 0.808 249 A HN 0.911 nan 8.150 nan 0.000 0.455 250 G N -3.142 105.647 108.800 -0.018 0.000 2.343 250 G HA2 0.487 4.447 3.960 0.000 0.000 0.289 250 G HA3 0.487 4.447 3.960 0.000 0.000 0.289 250 G C -0.239 174.653 174.900 -0.012 0.000 1.295 250 G CA -0.224 44.865 45.100 -0.019 0.000 0.869 250 G HN 0.930 nan 8.290 nan 0.000 0.522 251 G N -1.143 107.649 108.800 -0.013 0.000 2.412 251 G HA2 0.659 4.619 3.960 0.000 0.000 0.318 251 G HA3 0.659 4.619 3.960 0.000 0.000 0.318 251 G C -0.358 174.534 174.900 -0.013 0.000 1.146 251 G CA -0.532 44.562 45.100 -0.009 0.000 0.882 251 G HN 1.058 nan 8.290 nan 0.000 0.501 252 L N 1.262 122.481 121.223 -0.007 0.000 2.455 252 L HA 0.228 4.568 4.340 0.000 0.000 0.272 252 L C 0.551 177.413 176.870 -0.013 0.000 1.174 252 L CA -0.022 54.812 54.840 -0.009 0.000 0.869 252 L CB 0.339 42.398 42.059 0.001 0.000 1.130 252 L HN 0.346 nan 8.230 nan 0.000 0.474 253 L N 7.783 128.995 121.223 -0.020 0.000 2.456 253 L HA 0.099 4.439 4.340 0.000 0.000 0.272 253 L C -1.258 175.605 176.870 -0.012 0.000 1.189 253 L CA -1.269 53.560 54.840 -0.019 0.000 0.846 253 L CB 0.124 42.167 42.059 -0.028 0.000 1.111 253 L HN 0.584 nan 8.230 nan 0.000 0.475 254 P HA -0.216 nan 4.420 nan 0.000 0.214 254 P C 1.226 178.524 177.300 -0.003 0.000 1.163 254 P CA 1.221 64.318 63.100 -0.005 0.000 0.889 254 P CB 0.042 31.739 31.700 -0.005 0.000 0.790 255 E N -0.479 119.719 120.200 -0.004 0.000 2.097 255 E HA -0.207 4.143 4.350 0.000 0.000 0.196 255 E C 1.829 178.430 176.600 0.001 0.000 1.000 255 E CA 1.491 57.891 56.400 -0.001 0.000 0.804 255 E CB -1.387 28.312 29.700 -0.001 0.000 0.740 255 E HN 0.218 nan 8.360 nan 0.000 0.454 256 M N 0.888 120.487 119.600 -0.002 0.000 2.175 256 M HA 0.062 4.542 4.480 0.000 0.000 0.264 256 M C 2.499 178.803 176.300 0.006 0.000 1.063 256 M CA 1.406 56.707 55.300 0.002 0.000 1.119 256 M CB -1.181 31.414 32.600 -0.008 0.000 1.377 256 M HN 0.236 nan 8.290 nan 0.000 0.415 257 A N 0.404 123.225 122.820 0.002 0.000 1.940 257 A HA -0.189 4.131 4.320 0.000 0.000 0.219 257 A C 2.077 179.663 177.584 0.004 0.000 1.176 257 A CA 1.785 53.824 52.037 0.004 0.000 0.631 257 A CB -0.639 18.362 19.000 0.002 0.000 0.814 257 A HN 0.601 nan 8.150 nan 0.000 0.446 258 E N -0.194 120.008 120.200 0.003 0.000 2.046 258 E HA -0.150 4.200 4.350 0.000 0.000 0.190 258 E C 1.990 178.592 176.600 0.004 0.000 0.982 258 E CA 1.239 57.641 56.400 0.002 0.000 0.800 258 E CB -0.182 29.520 29.700 0.003 0.000 0.756 258 E HN 0.577 nan 8.360 nan 0.000 0.449 259 K N 0.228 120.633 120.400 0.008 0.000 2.209 259 K HA -0.041 4.279 4.320 0.000 0.000 0.204 259 K C 1.965 178.572 176.600 0.011 0.000 1.048 259 K CA 1.017 57.311 56.287 0.012 0.000 0.940 259 K CB 0.004 32.516 32.500 0.020 0.000 0.729 259 K HN 0.161 nan 8.250 nan 0.000 0.451 260 M N -0.868 118.739 119.600 0.011 0.000 2.514 260 M HA 0.076 4.556 4.480 0.000 0.000 0.258 260 M C 0.816 177.115 176.300 -0.002 0.000 1.119 260 M CA 0.675 55.981 55.300 0.010 0.000 1.111 260 M CB 0.654 33.264 32.600 0.018 0.000 1.390 260 M HN 0.390 nan 8.290 nan 0.000 0.475 261 G N 1.895 110.693 108.800 -0.004 0.000 2.149 261 G HA2 -0.201 3.759 3.960 0.000 0.000 0.235 261 G HA3 -0.201 3.759 3.960 0.000 0.000 0.235 261 G C -0.207 174.688 174.900 -0.008 0.000 1.018 261 G CA -0.124 44.969 45.100 -0.011 0.000 0.728 261 G HN 0.385 nan 8.290 nan 0.000 0.508 262 L N -1.321 119.901 121.223 -0.001 0.000 2.230 262 L HA 0.606 4.946 4.340 0.000 0.000 0.255 262 L C -0.028 176.845 176.870 0.004 0.000 1.039 262 L CA -1.524 53.317 54.840 0.003 0.000 0.846 262 L CB 1.041 43.105 42.059 0.009 0.000 1.419 262 L HN -0.069 nan 8.230 nan 0.000 0.435 263 N N 1.261 119.965 118.700 0.007 0.000 2.518 263 N HA 0.336 5.076 4.740 0.000 0.000 0.283 263 N C -2.453 173.060 175.510 0.005 0.000 1.119 263 N CA -1.323 51.730 53.050 0.006 0.000 0.983 263 N CB 0.731 39.222 38.487 0.008 0.000 1.139 263 N HN 0.299 nan 8.380 nan 0.000 0.465 264 P HA 0.121 nan 4.420 nan 0.000 0.272 264 P C 0.579 177.879 177.300 0.000 0.000 1.223 264 P CA 0.157 63.257 63.100 -0.000 0.000 0.784 264 P CB 0.722 32.421 31.700 -0.002 0.000 0.923 265 G N 1.724 110.523 108.800 -0.001 0.000 2.199 265 G HA2 -0.251 3.709 3.960 0.000 0.000 0.254 265 G HA3 -0.251 3.709 3.960 0.000 0.000 0.254 265 G C 0.396 175.297 174.900 0.002 0.000 0.982 265 G CA 0.250 45.349 45.100 -0.001 0.000 0.632 265 G HN 0.783 nan 8.290 nan 0.000 0.529 266 I N -0.250 120.324 120.570 0.006 0.000 2.836 266 I HA 0.628 4.798 4.170 0.000 0.000 0.285 266 I C 0.821 176.946 176.117 0.013 0.000 1.174 266 I CA -0.377 60.930 61.300 0.011 0.000 1.405 266 I CB 0.821 38.832 38.000 0.018 0.000 1.385 266 I HN 0.532 nan 8.210 nan 0.000 0.594 267 A N 5.893 128.723 122.820 0.016 0.000 2.477 267 A HA 0.504 4.824 4.320 0.000 0.000 0.246 267 A C -0.093 177.508 177.584 0.029 0.000 1.078 267 A CA -0.327 51.722 52.037 0.020 0.000 0.770 267 A CB 0.220 19.234 19.000 0.024 0.000 1.011 267 A HN 0.626 nan 8.150 nan 0.000 0.494 268 V N 2.289 122.216 119.914 0.023 0.000 2.448 268 V HA 0.588 4.708 4.120 0.000 0.000 0.295 268 V C 0.720 176.833 176.094 0.031 0.000 1.025 268 V CA -0.371 61.946 62.300 0.029 0.000 0.859 268 V CB 1.017 32.847 31.823 0.010 0.000 0.988 268 V HN 1.190 nan 8.190 nan 0.000 0.431 269 A N 4.182 127.034 122.820 0.054 0.000 2.332 269 A HA 0.690 5.010 4.320 0.000 0.000 0.258 269 A C 0.332 177.925 177.584 0.015 0.000 1.087 269 A CA -0.305 51.765 52.037 0.055 0.000 0.802 269 A CB 0.758 19.827 19.000 0.115 0.000 1.042 269 A HN 1.451 nan 8.150 nan 0.000 0.489 270 V N 0.338 120.238 119.914 -0.024 0.000 2.843 270 V HA 0.537 4.657 4.120 0.000 0.000 0.305 270 V C 0.973 177.032 176.094 -0.058 0.000 1.065 270 V CA -0.457 61.807 62.300 -0.060 0.000 1.116 270 V CB -0.331 31.431 31.823 -0.102 0.000 0.968 270 V HN 1.350 nan 8.190 nan 0.000 0.487 271 G N 3.001 111.772 108.800 -0.048 0.000 2.474 271 G HA2 0.173 4.133 3.960 0.000 0.000 0.233 271 G HA3 0.173 4.133 3.960 0.000 0.000 0.233 271 G C -0.107 174.772 174.900 -0.034 0.000 1.278 271 G CA -0.361 44.731 45.100 -0.013 0.000 0.861 271 G HN 0.917 nan 8.290 nan 0.000 0.567 272 N N -0.705 118.015 118.700 0.034 0.000 2.531 272 N HA 0.528 5.268 4.740 0.000 0.000 0.290 272 N C -0.857 174.717 175.510 0.106 0.000 1.257 272 N CA -0.543 52.524 53.050 0.028 0.000 0.863 272 N CB 2.249 40.783 38.487 0.077 0.000 1.320 272 N HN 0.223 nan 8.380 nan 0.000 0.538 273 V N 1.225 121.213 119.914 0.123 0.000 2.581 273 V HA 0.067 4.187 4.120 0.000 0.000 0.303 273 V C 0.701 176.894 176.094 0.165 0.000 1.041 273 V CA -0.619 61.790 62.300 0.181 0.000 0.907 273 V CB 1.676 33.651 31.823 0.253 0.000 0.994 273 V HN 0.762 nan 8.190 nan 0.000 0.442 274 D N 4.342 124.807 120.400 0.109 0.000 2.126 274 D HA -0.259 4.381 4.640 0.000 0.000 0.190 274 D C 1.845 178.135 176.300 -0.017 0.000 1.001 274 D CA 2.011 56.033 54.000 0.035 0.000 0.841 274 D CB -0.308 40.481 40.800 -0.018 0.000 0.949 274 D HN 0.570 nan 8.370 nan 0.000 0.446 275 A N 0.542 123.302 122.820 -0.099 0.000 1.858 275 A HA -0.218 4.102 4.320 0.000 0.000 0.216 275 A C 2.215 179.663 177.584 -0.226 0.000 1.190 275 A CA 1.715 53.618 52.037 -0.224 0.000 0.617 275 A CB -1.079 17.689 19.000 -0.386 0.000 0.827 275 A HN 0.449 nan 8.150 nan 0.000 0.443 276 H N -0.293 118.747 119.070 -0.049 0.000 2.422 276 H HA -0.078 4.478 4.556 0.000 0.000 0.298 276 H C 2.397 177.757 175.328 0.054 0.000 1.098 276 H CA 1.360 57.396 56.048 -0.020 0.000 1.315 276 H CB -0.424 29.314 29.762 -0.040 0.000 1.382 276 H HN 0.549 nan 8.280 nan 0.000 0.523 277 A N 1.301 124.226 122.820 0.174 0.000 2.067 277 A HA 0.025 4.345 4.320 0.000 0.000 0.219 277 A C 2.663 180.311 177.584 0.107 0.000 1.158 277 A CA 1.113 53.267 52.037 0.194 0.000 0.661 277 A CB -0.519 18.586 19.000 0.174 0.000 0.801 277 A HN 0.432 nan 8.150 nan 0.000 0.452 278 A N -0.436 122.408 122.820 0.040 0.000 2.067 278 A HA 0.080 4.400 4.320 0.000 0.000 0.219 278 A C 2.125 179.700 177.584 -0.016 0.000 1.158 278 A CA 1.494 53.530 52.037 -0.000 0.000 0.661 278 A CB -0.675 18.306 19.000 -0.031 0.000 0.801 278 A HN 0.327 nan 8.150 nan 0.000 0.452 279 V N 1.195 121.108 119.914 -0.002 0.000 2.237 279 V HA -0.161 3.959 4.120 0.000 0.000 0.245 279 V C -0.048 175.997 176.094 -0.082 0.000 1.046 279 V CA 2.490 64.766 62.300 -0.040 0.000 1.007 279 V CB -1.475 30.349 31.823 0.001 0.000 0.638 279 V HN 0.484 nan 8.190 nan 0.000 0.445 280 P HA -0.038 nan 4.420 nan 0.000 0.225 280 P C 1.418 178.639 177.300 -0.132 0.000 1.156 280 P CA 1.692 64.716 63.100 -0.128 0.000 0.787 280 P CB 0.062 31.640 31.700 -0.203 0.000 0.802 281 A N 0.237 123.009 122.820 -0.081 0.000 2.015 281 A HA -0.035 4.285 4.320 0.000 0.000 0.219 281 A C 2.004 179.553 177.584 -0.058 0.000 1.163 281 A CA 1.262 53.262 52.037 -0.061 0.000 0.646 281 A CB -1.253 17.733 19.000 -0.023 0.000 0.806 281 A HN 0.114 nan 8.150 nan 0.000 0.448 282 V N -0.752 119.116 119.914 -0.075 0.000 3.421 282 V HA 0.346 4.466 4.120 0.000 0.000 0.316 282 V C 1.684 177.693 176.094 -0.142 0.000 1.347 282 V CA 0.711 62.976 62.300 -0.059 0.000 1.183 282 V CB -0.932 30.875 31.823 -0.027 0.000 1.092 282 V HN 0.956 nan 8.190 nan 0.000 0.433 283 G N 0.320 109.025 108.800 -0.157 0.000 2.179 283 G HA2 -0.245 3.715 3.960 0.000 0.000 0.260 283 G HA3 -0.245 3.715 3.960 0.000 0.000 0.260 283 G C 0.299 175.044 174.900 -0.258 0.000 0.977 283 G CA 0.200 45.194 45.100 -0.177 0.000 0.641 283 G HN 0.447 nan 8.290 nan 0.000 0.533 284 V N 1.192 120.891 119.914 -0.359 0.000 2.488 284 V HA 0.573 4.693 4.120 0.000 0.000 0.277 284 V C 1.071 177.036 176.094 -0.215 0.000 1.046 284 V CA 1.259 63.341 62.300 -0.363 0.000 0.986 284 V CB 1.414 32.962 31.823 -0.458 0.000 0.989 284 V HN 0.304 nan 8.190 nan 0.000 0.475 285 T N 1.777 116.219 114.554 -0.186 0.000 3.253 285 T HA 0.157 4.507 4.350 0.000 0.000 0.299 285 T C 0.296 174.864 174.700 -0.220 0.000 0.927 285 T CA 0.353 62.374 62.100 -0.132 0.000 0.926 285 T CB 0.400 69.225 68.868 -0.072 0.000 1.183 285 T HN 0.845 nan 8.240 nan 0.000 0.557 286 T N -0.364 114.018 114.554 -0.287 0.000 2.883 286 T HA 0.701 5.051 4.350 0.000 0.000 0.296 286 T C -3.302 171.188 174.700 -0.351 0.000 1.117 286 T CA -2.264 59.595 62.100 -0.400 0.000 1.006 286 T CB 2.040 70.823 68.868 -0.140 0.000 1.191 286 T HN -0.309 nan 8.240 nan 0.000 0.508 287 P HA 0.416 nan 4.420 nan 0.000 0.271 287 P C 1.137 178.413 177.300 -0.041 0.000 1.244 287 P CA 1.183 64.185 63.100 -0.163 0.000 0.793 287 P CB -0.004 31.656 31.700 -0.066 0.000 0.984 288 G N -0.749 108.031 108.800 -0.034 0.000 2.179 288 G HA2 -0.239 3.721 3.960 0.000 0.000 0.260 288 G HA3 -0.239 3.721 3.960 0.000 0.000 0.260 288 G C -0.231 174.703 174.900 0.057 0.000 0.977 288 G CA 0.099 45.215 45.100 0.027 0.000 0.641 288 G HN 0.530 nan 8.290 nan 0.000 0.533 289 K N 0.038 120.454 120.400 0.026 0.000 2.507 289 K HA 0.683 5.003 4.320 0.000 0.000 0.253 289 K C -0.300 176.334 176.600 0.057 0.000 0.969 289 K CA -0.623 55.730 56.287 0.109 0.000 0.908 289 K CB 2.053 34.602 32.500 0.081 0.000 1.127 289 K HN 0.237 nan 8.250 nan 0.000 0.437 290 L N 3.273 124.559 121.223 0.105 0.000 2.331 290 L HA 0.403 4.743 4.340 0.000 0.000 0.278 290 L C -0.927 176.039 176.870 0.159 0.000 1.106 290 L CA -0.374 54.515 54.840 0.081 0.000 0.824 290 L CB 0.894 43.010 42.059 0.095 0.000 1.142 290 L HN 0.372 nan 8.230 nan 0.000 0.443 291 V N 6.715 126.685 119.914 0.094 0.000 2.417 291 V HA 0.434 4.554 4.120 0.000 0.000 0.291 291 V C 0.023 176.145 176.094 0.046 0.000 1.024 291 V CA -0.434 61.915 62.300 0.082 0.000 0.861 291 V CB 1.471 33.293 31.823 -0.002 0.000 0.985 291 V HN 0.767 nan 8.190 nan 0.000 0.436 292 M N 4.462 124.077 119.600 0.024 0.000 2.114 292 M HA 0.595 5.075 4.480 0.000 0.000 0.332 292 M C -0.020 176.206 176.300 -0.123 0.000 1.014 292 M CA -0.438 54.805 55.300 -0.094 0.000 0.956 292 M CB 1.832 34.389 32.600 -0.071 0.000 1.551 292 M HN 0.630 nan 8.290 nan 0.000 0.427 293 A N 6.638 129.362 122.820 -0.160 0.000 2.650 293 A HA 0.589 4.909 4.320 0.000 0.000 0.320 293 A C 0.057 177.548 177.584 -0.154 0.000 1.466 293 A CA -0.690 51.266 52.037 -0.136 0.000 1.099 293 A CB -0.215 18.701 19.000 -0.140 0.000 1.136 293 A HN 0.930 nan 8.150 nan 0.000 0.532 294 M N 1.973 121.482 119.600 -0.152 0.000 2.157 294 M HA 0.752 5.232 4.480 0.000 0.000 0.354 294 M C 0.221 176.450 176.300 -0.117 0.000 1.170 294 M CA -0.077 55.130 55.300 -0.155 0.000 1.060 294 M CB 1.300 33.771 32.600 -0.214 0.000 1.615 294 M HN 0.422 nan 8.290 nan 0.000 0.460 295 G N 0.837 109.580 108.800 -0.095 0.000 3.453 295 G HA2 0.105 4.065 3.960 0.000 0.000 0.165 295 G HA3 0.105 4.065 3.960 0.000 0.000 0.165 295 G C 0.185 175.046 174.900 -0.065 0.000 1.220 295 G CA 0.293 45.353 45.100 -0.067 0.000 1.305 295 G HN 0.554 nan 8.290 nan 0.000 0.695 296 T N 0.582 115.118 114.554 -0.030 0.000 2.833 296 T HA 0.159 4.509 4.350 0.000 0.000 0.269 296 T C 1.114 175.797 174.700 -0.028 0.000 1.054 296 T CA 2.124 64.216 62.100 -0.015 0.000 1.135 296 T CB -0.496 68.402 68.868 0.051 0.000 0.869 296 T HN 0.924 nan 8.240 nan 0.000 0.466 297 S N -1.135 114.556 115.700 -0.015 0.000 2.720 297 S HA 0.714 5.184 4.470 0.000 0.000 0.287 297 S C -1.195 173.390 174.600 -0.025 0.000 1.168 297 S CA -1.107 57.097 58.200 0.006 0.000 0.832 297 S CB 1.629 64.865 63.200 0.060 0.000 1.166 297 S HN 0.204 nan 8.310 nan 0.000 0.493 298 I N 0.615 121.180 120.570 -0.009 0.000 2.465 298 I HA 0.456 4.626 4.170 0.000 0.000 0.291 298 I C -0.841 175.190 176.117 -0.144 0.000 1.014 298 I CA -0.703 60.527 61.300 -0.116 0.000 1.093 298 I CB 1.887 39.793 38.000 -0.156 0.000 1.267 298 I HN 0.828 nan 8.210 nan 0.000 0.431 299 C N 6.493 125.668 119.300 -0.209 0.000 2.264 299 C HA 0.521 4.981 4.460 0.000 0.000 0.324 299 C C -0.219 174.639 174.990 -0.221 0.000 1.267 299 C CA -0.368 58.567 59.018 -0.139 0.000 1.618 299 C CB -0.790 26.864 27.740 -0.144 0.000 2.278 299 C HN 0.717 nan 8.230 nan 0.000 0.499 300 H N 5.053 124.174 119.070 0.086 0.000 2.467 300 H HA 0.656 5.212 4.556 0.000 0.000 0.326 300 H C -0.135 175.249 175.328 0.093 0.000 1.094 300 H CA 0.042 56.161 56.048 0.117 0.000 1.253 300 H CB 1.066 30.966 29.762 0.229 0.000 1.439 300 H HN 0.632 nan 8.280 nan 0.000 0.479 301 M N 3.369 123.047 119.600 0.129 0.000 2.386 301 M HA 0.401 4.881 4.480 0.000 0.000 0.293 301 M C -1.605 174.695 176.300 -0.001 0.000 1.120 301 M CA -0.817 54.524 55.300 0.068 0.000 0.909 301 M CB 2.676 35.281 32.600 0.007 0.000 1.661 301 M HN 0.360 nan 8.290 nan 0.000 0.452 302 L N 2.951 124.151 121.223 -0.039 0.000 2.466 302 L HA 0.720 5.060 4.340 0.000 0.000 0.258 302 L C -1.995 174.879 176.870 0.008 0.000 0.973 302 L CA -0.336 54.424 54.840 -0.133 0.000 0.826 302 L CB 2.302 44.076 42.059 -0.475 0.000 1.372 302 L HN 0.718 nan 8.230 nan 0.000 0.409 303 L N 2.908 124.105 121.223 -0.042 0.000 2.344 303 L HA 0.972 5.312 4.340 0.000 0.000 0.272 303 L C 0.321 177.208 176.870 0.029 0.000 1.035 303 L CA -0.446 54.389 54.840 -0.009 0.000 0.807 303 L CB 1.677 43.589 42.059 -0.244 0.000 1.237 303 L HN 0.788 nan 8.230 nan 0.000 0.442 304 G N 0.477 109.391 108.800 0.190 0.000 2.677 304 G HA2 0.385 4.345 3.960 0.000 0.000 0.291 304 G HA3 0.385 4.345 3.960 0.000 0.000 0.291 304 G C -0.392 174.709 174.900 0.335 0.000 1.435 304 G CA -0.308 44.934 45.100 0.238 0.000 0.826 304 G HN 0.659 nan 8.290 nan 0.000 0.491 305 E N -0.048 120.315 120.200 0.272 0.000 2.127 305 E HA 0.204 4.554 4.350 0.000 0.000 0.191 305 E C 1.437 178.123 176.600 0.142 0.000 0.964 305 E CA 1.001 57.538 56.400 0.227 0.000 0.832 305 E CB 0.175 29.978 29.700 0.173 0.000 0.790 305 E HN 0.549 nan 8.360 nan 0.000 0.465 306 K N 1.973 122.460 120.400 0.145 0.000 2.182 306 K HA 0.250 4.570 4.320 0.000 0.000 0.262 306 K C -0.649 176.052 176.600 0.168 0.000 0.957 306 K CA -0.533 55.823 56.287 0.115 0.000 0.842 306 K CB 1.123 nan 32.500 nan 0.000 1.099 306 K HN 0.040 nan 8.250 nan 0.000 0.438 307 E N 1.814 122.084 120.200 0.117 0.000 2.376 307 E HA 0.065 4.415 4.350 0.000 0.000 0.266 307 E C -0.692 176.020 176.600 0.186 0.000 1.009 307 E CA 0.107 56.586 56.400 0.131 0.000 0.902 307 E CB 0.499 30.231 29.700 0.055 0.000 0.972 307 E HN 0.496 nan 8.360 nan 0.000 0.439 308 Q N 2.913 122.906 119.800 0.321 0.000 2.345 308 Q HA 0.184 4.524 4.340 0.000 0.000 0.275 308 Q C -1.288 174.873 176.000 0.269 0.000 1.063 308 Q CA -0.595 55.359 55.803 0.250 0.000 0.819 308 Q CB 2.049 30.912 28.738 0.208 0.000 1.356 308 Q HN 0.620 nan 8.270 nan 0.000 0.418 309 E N 1.578 121.864 120.200 0.143 0.000 2.129 309 E HA 0.262 4.612 4.350 0.000 0.000 0.283 309 E C -0.787 175.872 176.600 0.099 0.000 1.080 309 E CA -0.136 56.330 56.400 0.110 0.000 0.867 309 E CB 0.875 30.605 29.700 0.049 0.000 1.056 309 E HN 0.163 nan 8.360 nan 0.000 0.404 310 V N 4.135 124.123 119.914 0.123 0.000 2.435 310 V HA 0.091 4.211 4.120 0.000 0.000 0.290 310 V C 0.274 176.351 176.094 -0.030 0.000 1.030 310 V CA -0.789 61.518 62.300 0.012 0.000 0.881 310 V CB 1.523 33.315 31.823 -0.051 0.000 0.983 310 V HN 0.682 nan 8.190 nan 0.000 0.445 311 E N 3.455 123.618 120.200 -0.061 0.000 2.558 311 E HA 0.190 4.540 4.350 0.000 0.000 0.255 311 E C 1.298 177.869 176.600 -0.049 0.000 0.968 311 E CA 0.981 57.358 56.400 -0.039 0.000 0.939 311 E CB 0.155 29.837 29.700 -0.029 0.000 0.921 311 E HN 1.116 nan 8.360 nan 0.000 0.477 312 G N 4.323 113.124 108.800 0.003 0.000 2.166 312 G HA2 -0.355 3.605 3.960 0.000 0.000 0.260 312 G HA3 -0.355 3.605 3.960 0.000 0.000 0.260 312 G C 0.454 175.394 174.900 0.066 0.000 0.986 312 G CA 0.700 45.818 45.100 0.029 0.000 0.683 312 G HN 0.679 nan 8.290 nan 0.000 0.527 313 M N -1.161 118.482 119.600 0.072 0.000 2.240 313 M HA 0.429 4.909 4.480 0.000 0.000 0.317 313 M C 1.520 177.989 176.300 0.283 0.000 1.087 313 M CA 0.504 55.910 55.300 0.177 0.000 1.176 313 M CB 0.439 33.200 32.600 0.268 0.000 1.439 313 M HN 0.034 nan 8.290 nan 0.000 0.452 314 C N 1.203 120.728 119.300 0.376 0.000 2.495 314 C HA 0.478 4.938 4.460 0.000 0.000 0.275 314 C C 1.202 176.542 174.990 0.583 0.000 1.392 314 C CA 0.608 59.932 59.018 0.510 0.000 1.766 314 C CB -0.920 27.121 27.740 0.501 0.000 1.933 314 C HN 1.029 nan 8.230 nan 0.000 0.519 315 G N -1.273 107.778 108.800 0.418 0.000 2.340 315 G HA2 0.427 4.387 3.960 0.000 0.000 0.298 315 G HA3 0.427 4.387 3.960 0.000 0.000 0.298 315 G C -2.061 172.929 174.900 0.150 0.000 1.498 315 G CA 0.131 45.342 45.100 0.184 0.000 0.847 315 G HN 0.283 nan 8.290 nan 0.000 0.594 316 V N -0.171 119.611 119.914 -0.221 0.000 2.777 316 V HA 0.850 4.970 4.120 0.000 0.000 0.306 316 V C -1.167 174.664 176.094 -0.439 0.000 1.112 316 V CA -0.131 61.967 62.300 -0.336 0.000 0.917 316 V CB 1.579 33.112 31.823 -0.483 0.000 1.018 316 V HN 2.222 nan 8.190 nan 0.000 0.426 317 V N 4.833 124.474 119.914 -0.455 0.000 2.891 317 V HA 0.627 4.747 4.120 0.000 0.000 0.304 317 V C -0.586 175.354 176.094 -0.257 0.000 1.171 317 V CA -0.401 61.661 62.300 -0.398 0.000 0.943 317 V CB 1.985 33.495 31.823 -0.522 0.000 1.037 317 V HN 1.123 nan 8.190 nan 0.000 0.427 318 E N 4.390 124.434 120.200 -0.260 0.000 2.376 318 E HA 0.199 4.549 4.350 0.000 0.000 0.266 318 E C -0.075 176.500 176.600 -0.041 0.000 1.009 318 E CA 0.802 57.104 56.400 -0.162 0.000 0.902 318 E CB 0.344 29.898 29.700 -0.243 0.000 0.972 318 E HN 0.859 nan 8.360 nan 0.000 0.439 319 D N 2.311 122.718 120.400 0.011 0.000 2.945 319 D HA -0.183 4.457 4.640 0.000 0.000 0.225 319 D C 0.778 177.103 176.300 0.042 0.000 1.158 319 D CA 0.940 54.968 54.000 0.048 0.000 0.805 319 D CB -1.517 39.307 40.800 0.040 0.000 1.098 319 D HN 0.692 nan 8.370 nan 0.000 0.426 320 G N -0.572 108.257 108.800 0.047 0.000 2.511 320 G HA2 0.192 4.152 3.960 0.000 0.000 0.217 320 G HA3 0.192 4.152 3.960 0.000 0.000 0.217 320 G C 1.600 176.593 174.900 0.155 0.000 1.133 320 G CA 0.633 45.785 45.100 0.086 0.000 0.792 320 G HN 0.470 nan 8.290 nan 0.000 0.539 321 I N -1.512 119.160 120.570 0.169 0.000 4.193 321 I HA 0.367 4.537 4.170 0.000 0.000 0.287 321 I C -0.661 175.603 176.117 0.246 0.000 1.175 321 I CA -0.019 61.402 61.300 0.201 0.000 1.320 321 I CB 0.901 39.038 38.000 0.228 0.000 1.523 321 I HN -0.139 nan 8.210 nan 0.000 0.450 322 I N 1.812 122.525 120.570 0.239 0.000 2.478 322 I HA 0.382 4.552 4.170 0.000 0.000 0.287 322 I C -2.602 173.682 176.117 0.277 0.000 1.042 322 I CA -2.361 59.119 61.300 0.300 0.000 1.067 322 I CB 1.607 39.750 38.000 0.239 0.000 1.233 322 I HN -0.213 nan 8.210 nan 0.000 0.431 323 P HA 0.286 nan 4.420 nan 0.000 0.265 323 P C 0.742 178.099 177.300 0.096 0.000 1.193 323 P CA 0.541 63.722 63.100 0.135 0.000 0.765 323 P CB 0.624 32.397 31.700 0.121 0.000 0.823 324 G N 0.771 109.563 108.800 -0.013 0.000 2.195 324 G HA2 -0.201 3.759 3.960 0.000 0.000 0.224 324 G HA3 -0.201 3.759 3.960 0.000 0.000 0.224 324 G C -0.410 174.256 174.900 -0.390 0.000 0.990 324 G CA -0.417 44.551 45.100 -0.220 0.000 0.639 324 G HN 0.474 nan 8.290 nan 0.000 0.514 325 Y N -0.505 119.806 120.300 0.018 0.000 2.605 325 Y HA 0.711 5.261 4.550 0.000 0.000 0.343 325 Y C 0.255 176.149 175.900 -0.009 0.000 1.036 325 Y CA -1.437 56.674 58.100 0.019 0.000 1.065 325 Y CB 1.216 39.703 38.460 0.044 0.000 1.288 325 Y HN -0.027 nan 8.280 nan 0.000 0.481 326 L N 1.993 123.317 121.223 0.168 0.000 2.331 326 L HA 0.392 4.732 4.340 0.000 0.000 0.278 326 L C 0.529 177.392 176.870 -0.012 0.000 1.106 326 L CA 0.139 54.963 54.840 -0.027 0.000 0.824 326 L CB 0.318 42.305 42.059 -0.121 0.000 1.142 326 L HN 0.859 nan 8.230 nan 0.000 0.443 327 G N 3.736 112.503 108.800 -0.055 0.000 2.335 327 G HA2 0.435 4.395 3.960 0.000 0.000 0.314 327 G HA3 0.435 4.395 3.960 0.000 0.000 0.314 327 G C -1.177 173.774 174.900 0.086 0.000 1.129 327 G CA -0.220 44.945 45.100 0.108 0.000 0.912 327 G HN 0.429 nan 8.290 nan 0.000 0.443 328 Y N 0.701 121.101 120.300 0.166 0.000 2.342 328 Y HA 0.479 5.029 4.550 0.000 0.000 0.334 328 Y C 0.583 176.629 175.900 0.243 0.000 1.067 328 Y CA -0.581 57.639 58.100 0.200 0.000 1.128 328 Y CB 2.181 40.645 38.460 0.006 0.000 1.200 328 Y HN 0.537 nan 8.280 nan 0.000 0.464 329 E N 1.988 122.508 120.200 0.534 0.000 2.248 329 E HA 0.834 5.184 4.350 0.000 0.000 0.267 329 E C -1.668 175.226 176.600 0.490 0.000 0.877 329 E CA -0.875 55.764 56.400 0.398 0.000 0.759 329 E CB 1.555 31.386 29.700 0.218 0.000 1.182 329 E HN 0.747 nan 8.360 nan 0.000 0.418 330 A N 2.345 125.440 122.820 0.458 0.000 2.556 330 A HA 0.837 5.157 4.320 0.000 0.000 0.294 330 A C -0.787 177.026 177.584 0.383 0.000 1.091 330 A CA -0.257 52.026 52.037 0.410 0.000 0.704 330 A CB 1.980 21.222 19.000 0.404 0.000 1.300 330 A HN 0.566 nan 8.150 nan 0.000 0.406 331 G N -0.128 108.863 108.800 0.319 0.000 2.643 331 G HA2 0.548 4.508 3.960 0.000 0.000 0.305 331 G HA3 0.548 4.508 3.960 0.000 0.000 0.305 331 G C -1.097 173.969 174.900 0.278 0.000 1.387 331 G CA -0.322 44.955 45.100 0.294 0.000 0.982 331 G HN 0.744 nan 8.290 nan 0.000 0.501 332 Q N 1.890 121.869 119.800 0.298 0.000 2.368 332 Q HA 0.343 4.683 4.340 0.000 0.000 0.256 332 Q C 1.121 177.234 176.000 0.188 0.000 0.980 332 Q CA -0.534 55.432 55.803 0.273 0.000 0.887 332 Q CB 1.074 30.029 28.738 0.361 0.000 1.221 332 Q HN 0.530 nan 8.270 nan 0.000 0.458 333 S N 2.253 118.054 115.700 0.169 0.000 2.372 333 S HA -0.144 4.326 4.470 0.000 0.000 0.227 333 S C 0.238 174.911 174.600 0.123 0.000 1.044 333 S CA 1.429 59.710 58.200 0.136 0.000 1.050 333 S CB 0.062 63.331 63.200 0.115 0.000 0.901 333 S HN 0.716 nan 8.310 nan 0.000 0.447 334 A N -0.220 122.675 122.820 0.125 0.000 2.456 334 A HA 0.605 4.925 4.320 0.000 0.000 0.288 334 A C 0.206 177.769 177.584 -0.035 0.000 1.042 334 A CA -0.459 51.613 52.037 0.058 0.000 0.738 334 A CB 1.188 20.245 19.000 0.094 0.000 1.266 334 A HN 0.320 nan 8.150 nan 0.000 0.407 335 V N 0.415 120.226 119.914 -0.170 0.000 3.449 335 V HA 0.435 4.555 4.120 0.000 0.000 0.208 335 V C 1.836 177.373 176.094 -0.930 0.000 1.269 335 V CA 1.254 63.304 62.300 -0.417 0.000 1.301 335 V CB -0.747 30.962 31.823 -0.190 0.000 1.306 335 V HN 1.128 nan 8.190 nan 0.000 0.531 336 G N 0.162 108.630 108.800 -0.553 0.000 2.432 336 G HA2 -0.183 3.777 3.960 0.000 0.000 0.219 336 G HA3 -0.183 3.777 3.960 0.000 0.000 0.219 336 G C 1.132 175.873 174.900 -0.265 0.000 1.135 336 G CA 1.185 46.021 45.100 -0.441 0.000 0.767 336 G HN 0.527 nan 8.290 nan 0.000 0.550 337 D N 0.534 120.836 120.400 -0.164 0.000 2.178 337 D HA -0.046 4.594 4.640 0.000 0.000 0.202 337 D C 2.544 178.859 176.300 0.026 0.000 0.974 337 D CA 0.408 54.410 54.000 0.004 0.000 0.841 337 D CB -0.002 40.834 40.800 0.059 0.000 0.953 337 D HN 0.390 nan 8.370 nan 0.000 0.478 338 I N 0.263 120.718 120.570 -0.191 0.000 2.286 338 I HA -0.219 3.951 4.170 0.000 0.000 0.245 338 I C 2.014 178.223 176.117 0.153 0.000 1.104 338 I CA 0.571 61.741 61.300 -0.216 0.000 1.397 338 I CB -0.290 37.406 38.000 -0.507 0.000 1.072 338 I HN -0.109 nan 8.210 nan 0.000 0.417 339 F N 1.613 121.639 119.950 0.127 0.000 2.126 339 F HA -0.163 4.364 4.527 0.000 0.000 0.299 339 F C 2.724 178.772 175.800 0.413 0.000 1.096 339 F CA 0.857 59.041 58.000 0.307 0.000 1.255 339 F CB -1.679 37.507 39.000 0.309 0.000 0.997 339 F HN 0.024 nan 8.300 nan 0.000 0.479 340 A N -0.761 122.350 122.820 0.484 0.000 1.930 340 A HA -0.204 4.116 4.320 0.000 0.000 0.217 340 A C 2.124 179.888 177.584 0.299 0.000 1.175 340 A CA 1.207 53.474 52.037 0.383 0.000 0.627 340 A CB -1.549 17.619 19.000 0.281 0.000 0.815 340 A HN 0.562 nan 8.150 nan 0.000 0.443 341 W N -0.302 121.130 121.300 0.221 0.000 2.358 341 W HA -0.180 4.480 4.660 0.000 0.000 0.303 341 W C 1.707 178.422 176.519 0.326 0.000 1.208 341 W CA 1.765 59.278 57.345 0.279 0.000 1.274 341 W CB -0.495 29.129 29.460 0.274 0.000 1.138 341 W HN 0.321 nan 8.180 nan 0.000 0.515 342 F N 0.658 120.655 119.950 0.078 0.000 2.134 342 F HA -0.199 4.328 4.527 0.000 0.000 0.299 342 F C 2.133 177.804 175.800 -0.215 0.000 1.097 342 F CA 2.194 60.093 58.000 -0.168 0.000 1.264 342 F CB -1.059 38.072 39.000 0.218 0.000 1.001 342 F HN -0.211 nan 8.300 nan 0.000 0.479 343 V N 0.669 120.435 119.914 -0.247 0.000 2.427 343 V HA -0.284 3.836 4.120 0.000 0.000 0.248 343 V C 2.513 178.437 176.094 -0.282 0.000 1.051 343 V CA 2.265 64.335 62.300 -0.382 0.000 1.048 343 V CB -0.643 30.925 31.823 -0.424 0.000 0.666 343 V HN 0.341 nan 8.190 nan 0.000 0.456 344 K N -1.537 118.677 120.400 -0.310 0.000 2.228 344 K HA -0.104 4.216 4.320 0.000 0.000 0.202 344 K C 1.751 177.950 176.600 -0.668 0.000 1.051 344 K CA 1.148 57.173 56.287 -0.437 0.000 0.960 344 K CB 0.074 32.296 32.500 -0.463 0.000 0.743 344 K HN 0.547 nan 8.250 nan 0.000 0.458 345 H N -2.552 116.212 119.070 -0.509 0.000 3.440 345 H HA 0.210 4.766 4.556 -0.000 0.000 0.259 345 H C 1.155 176.179 175.328 -0.506 0.000 1.120 345 H CA 0.673 56.417 56.048 -0.506 0.000 1.191 345 H CB 1.596 31.012 29.762 -0.577 0.000 1.537 345 H HN 0.339 nan 8.280 nan 0.000 0.547 346 G N 0.557 109.023 108.800 -0.558 0.000 3.104 346 G HA2 0.124 4.084 3.960 0.000 0.000 0.237 346 G HA3 0.124 4.084 3.960 0.000 0.000 0.237 346 G C -0.042 174.584 174.900 -0.458 0.000 1.035 346 G CA 0.156 45.055 45.100 -0.335 0.000 0.844 346 G HN 0.080 nan 8.290 nan 0.000 0.531 347 V N 2.224 121.713 119.914 -0.707 0.000 2.461 347 V HA 0.653 4.773 4.120 0.000 0.000 0.275 347 V C 0.787 176.798 176.094 -0.137 0.000 1.047 347 V CA -0.050 61.944 62.300 -0.511 0.000 0.955 347 V CB 0.456 31.928 31.823 -0.585 0.000 0.988 347 V HN 0.522 nan 8.190 nan 0.000 0.471 348 S N 5.072 120.744 115.700 -0.047 0.000 2.554 348 S HA 0.345 4.815 4.470 0.000 0.000 0.290 348 S C 1.455 176.082 174.600 0.045 0.000 1.309 348 S CA 0.339 58.544 58.200 0.007 0.000 1.047 348 S CB 0.336 63.556 63.200 0.033 0.000 0.828 348 S HN 1.699 nan 8.310 nan 0.000 0.509 349 A N 1.909 124.737 122.820 0.013 0.000 2.121 349 A HA 0.307 4.627 4.320 0.000 0.000 0.218 349 A C 2.400 180.023 177.584 0.066 0.000 1.154 349 A CA 1.901 53.947 52.037 0.015 0.000 0.679 349 A CB -0.883 18.088 19.000 -0.048 0.000 0.795 349 A HN 1.483 nan 8.150 nan 0.000 0.458 350 A N -0.566 122.281 122.820 0.045 0.000 1.897 350 A HA -0.076 4.244 4.320 0.000 0.000 0.215 350 A C 2.436 180.042 177.584 0.036 0.000 1.181 350 A CA 2.252 54.310 52.037 0.036 0.000 0.620 350 A CB -1.200 17.815 19.000 0.025 0.000 0.821 350 A HN 0.659 nan 8.150 nan 0.000 0.443 351 T N -2.769 111.802 114.554 0.029 0.000 2.951 351 T HA -0.091 4.259 4.350 0.000 0.000 0.268 351 T C 1.609 176.279 174.700 -0.051 0.000 1.073 351 T CA 1.418 63.504 62.100 -0.023 0.000 1.134 351 T CB -0.478 68.356 68.868 -0.057 0.000 0.884 351 T HN 0.259 nan 8.240 nan 0.000 0.479 352 F N 2.040 121.928 119.950 -0.103 0.000 2.084 352 F HA 0.018 4.545 4.527 0.000 0.000 0.296 352 F C 2.398 178.152 175.800 -0.077 0.000 1.111 352 F CA 1.815 59.751 58.000 -0.107 0.000 1.224 352 F CB -0.180 38.752 39.000 -0.113 0.000 0.991 352 F HN 0.165 nan 8.300 nan 0.000 0.471 353 D N -0.177 120.314 120.400 0.151 0.000 2.178 353 D HA -0.207 4.433 4.640 0.000 0.000 0.201 353 D C 2.090 178.401 176.300 0.019 0.000 0.980 353 D CA 1.167 55.211 54.000 0.073 0.000 0.842 353 D CB -0.339 40.490 40.800 0.049 0.000 0.948 353 D HN 0.470 nan 8.370 nan 0.000 0.472 354 E N 0.650 120.848 120.200 -0.004 0.000 2.072 354 E HA -0.144 4.206 4.350 0.000 0.000 0.191 354 E C 2.050 178.617 176.600 -0.055 0.000 0.985 354 E CA 0.871 57.254 56.400 -0.029 0.000 0.801 354 E CB 0.080 29.759 29.700 -0.036 0.000 0.750 354 E HN 0.131 nan 8.360 nan 0.000 0.452 355 A N 1.122 123.882 122.820 -0.100 0.000 1.865 355 A HA -0.215 4.105 4.320 0.000 0.000 0.217 355 A C 1.605 179.141 177.584 -0.081 0.000 1.191 355 A CA 1.121 53.079 52.037 -0.132 0.000 0.623 355 A CB -0.539 18.310 19.000 -0.251 0.000 0.826 355 A HN 0.419 nan 8.150 nan 0.000 0.444 356 Q N -1.199 118.571 119.800 -0.049 0.000 2.421 356 Q HA 0.239 4.579 4.340 0.000 0.000 0.255 356 Q C 0.662 176.652 176.000 -0.016 0.000 1.013 356 Q CA 0.739 56.532 55.803 -0.018 0.000 0.895 356 Q CB 0.507 29.256 28.738 0.018 0.000 1.271 356 Q HN 0.614 nan 8.270 nan 0.000 0.460 357 E N 1.095 121.288 120.200 -0.013 0.000 4.216 357 E HA -0.232 4.118 4.350 0.000 0.000 0.149 357 E C 0.163 176.752 176.600 -0.018 0.000 0.900 357 E CA 1.333 57.726 56.400 -0.012 0.000 2.729 357 E CB -1.031 28.664 29.700 -0.010 0.000 1.510 357 E HN 0.724 nan 8.360 nan 0.000 0.639 358 K N 0.432 120.815 120.400 -0.027 0.000 2.444 358 K HA 0.133 4.453 4.320 0.000 0.000 0.193 358 K C 1.058 177.639 176.600 -0.032 0.000 1.024 358 K CA 0.697 56.966 56.287 -0.031 0.000 1.077 358 K CB 0.308 32.783 32.500 -0.042 0.000 0.833 358 K HN 0.454 nan 8.250 nan 0.000 0.517 359 G N 1.610 110.392 108.800 -0.029 0.000 2.212 359 G HA2 -0.257 3.703 3.960 0.000 0.000 0.267 359 G HA3 -0.257 3.703 3.960 0.000 0.000 0.267 359 G C -0.033 174.846 174.900 -0.035 0.000 1.002 359 G CA 0.598 45.682 45.100 -0.026 0.000 0.729 359 G HN 0.254 nan 8.290 nan 0.000 0.517 360 V N -0.442 119.441 119.914 -0.051 0.000 2.881 360 V HA 0.691 4.811 4.120 0.000 0.000 0.316 360 V C 0.660 176.699 176.094 -0.093 0.000 1.070 360 V CA -0.743 61.519 62.300 -0.063 0.000 0.976 360 V CB 1.799 33.582 31.823 -0.066 0.000 1.038 360 V HN 0.486 nan 8.190 nan 0.000 0.446 361 N N 2.710 121.358 118.700 -0.086 0.000 2.508 361 N HA 0.061 4.801 4.740 0.000 0.000 0.264 361 N C 0.725 176.113 175.510 -0.203 0.000 1.216 361 N CA 0.743 53.725 53.050 -0.113 0.000 0.943 361 N CB 1.575 40.039 38.487 -0.039 0.000 1.113 361 N HN 0.445 nan 8.380 nan 0.000 0.447 362 V N 3.373 123.066 119.914 -0.368 0.000 2.407 362 V HA -0.235 3.885 4.120 0.000 0.000 0.248 362 V C 1.817 177.664 176.094 -0.411 0.000 1.055 362 V CA 1.845 63.822 62.300 -0.538 0.000 1.049 362 V CB -1.014 30.197 31.823 -1.019 0.000 0.662 362 V HN 0.752 nan 8.190 nan 0.000 0.455 363 H N 0.148 119.058 119.070 -0.267 0.000 2.321 363 H HA -0.080 4.476 4.556 0.000 0.000 0.300 363 H C 2.355 177.552 175.328 -0.218 0.000 1.087 363 H CA 1.807 57.727 56.048 -0.213 0.000 1.319 363 H CB -0.506 29.210 29.762 -0.076 0.000 1.379 363 H HN 0.539 nan 8.280 nan 0.000 0.501 364 A N 1.035 123.844 122.820 -0.018 0.000 1.883 364 A HA -0.158 4.162 4.320 0.000 0.000 0.217 364 A C 2.560 180.083 177.584 -0.103 0.000 1.186 364 A CA 1.571 53.579 52.037 -0.049 0.000 0.624 364 A CB -0.853 18.121 19.000 -0.043 0.000 0.822 364 A HN 0.316 nan 8.150 nan 0.000 0.444 365 L N -0.998 120.133 121.223 -0.152 0.000 2.017 365 L HA -0.100 4.240 4.340 0.000 0.000 0.208 365 L C 2.170 178.926 176.870 -0.189 0.000 1.073 365 L CA 1.578 56.325 54.840 -0.155 0.000 0.745 365 L CB -0.529 41.424 42.059 -0.177 0.000 0.894 365 L HN 0.253 nan 8.230 nan 0.000 0.432 366 L N 0.032 121.067 121.223 -0.313 0.000 2.042 366 L HA -0.246 4.094 4.340 0.000 0.000 0.210 366 L C 2.620 179.252 176.870 -0.397 0.000 1.076 366 L CA 2.040 56.592 54.840 -0.480 0.000 0.749 366 L CB -1.157 40.355 42.059 -0.911 0.000 0.893 366 L HN 0.545 nan 8.230 nan 0.000 0.432 367 E N -0.796 119.246 120.200 -0.263 0.000 2.051 367 E HA -0.248 4.102 4.350 0.000 0.000 0.192 367 E C 1.933 178.549 176.600 0.027 0.000 0.991 367 E CA 1.164 57.580 56.400 0.027 0.000 0.799 367 E CB 0.163 29.900 29.700 0.061 0.000 0.748 367 E HN 0.346 nan 8.360 nan 0.000 0.449 368 E N 0.876 121.063 120.200 -0.021 0.000 2.058 368 E HA -0.170 4.180 4.350 0.000 0.000 0.194 368 E C 1.939 178.539 176.600 -0.001 0.000 0.997 368 E CA 1.401 57.796 56.400 -0.010 0.000 0.801 368 E CB -0.053 29.630 29.700 -0.028 0.000 0.746 368 E HN 0.249 nan 8.360 nan 0.000 0.450 369 K N -0.066 120.324 120.400 -0.016 0.000 2.155 369 K HA 0.057 4.377 4.320 0.000 0.000 0.203 369 K C 2.071 178.690 176.600 0.032 0.000 1.052 369 K CA 0.983 57.271 56.287 0.001 0.000 0.948 369 K CB -0.060 32.433 32.500 -0.012 0.000 0.728 369 K HN 0.084 nan 8.250 nan 0.000 0.448 370 A N 1.638 124.495 122.820 0.062 0.000 1.969 370 A HA -0.136 4.184 4.320 0.000 0.000 0.218 370 A C 2.123 179.746 177.584 0.064 0.000 1.169 370 A CA 1.805 53.905 52.037 0.105 0.000 0.635 370 A CB -0.525 18.627 19.000 0.254 0.000 0.810 370 A HN 0.360 nan 8.150 nan 0.000 0.445 371 S N -0.728 115.007 115.700 0.058 0.000 2.555 371 S HA -0.093 4.377 4.470 0.000 0.000 0.230 371 S C 1.541 176.165 174.600 0.040 0.000 0.978 371 S CA 0.863 59.093 58.200 0.049 0.000 0.934 371 S CB -0.194 63.039 63.200 0.055 0.000 0.766 371 S HN 0.593 nan 8.310 nan 0.000 0.533 372 Q N 0.832 120.652 119.800 0.032 0.000 2.269 372 Q HA 0.297 4.637 4.340 0.000 0.000 0.201 372 Q C 0.648 176.661 176.000 0.020 0.000 0.946 372 Q CA 0.256 56.075 55.803 0.027 0.000 0.877 372 Q CB -0.311 28.440 28.738 0.021 0.000 0.963 372 Q HN 0.575 nan 8.270 nan 0.000 0.472 373 L N 1.667 122.899 121.223 0.015 0.000 2.426 373 L HA 0.157 4.497 4.340 0.000 0.000 0.271 373 L C 0.787 177.641 176.870 -0.027 0.000 1.169 373 L CA -0.138 54.702 54.840 -0.000 0.000 0.836 373 L CB 0.387 42.448 42.059 0.003 0.000 1.112 373 L HN -0.086 nan 8.230 nan 0.000 0.465 374 R N 2.739 123.214 120.500 -0.042 0.000 2.528 374 R HA 0.327 4.667 4.340 0.000 0.000 0.271 374 R C -2.227 173.974 176.300 -0.165 0.000 1.056 374 R CA -1.619 54.424 56.100 -0.095 0.000 1.117 374 R CB 0.718 30.991 30.300 -0.045 0.000 1.085 374 R HN 0.380 nan 8.270 nan 0.000 0.530 375 P HA -0.029 nan 4.420 nan 0.000 0.268 375 P C 0.269 177.412 177.300 -0.262 0.000 1.204 375 P CA 0.594 63.452 63.100 -0.403 0.000 0.768 375 P CB 0.806 31.922 31.700 -0.973 0.000 0.842 376 G N 2.667 111.379 108.800 -0.147 0.000 2.199 376 G HA2 -0.318 3.642 3.960 0.000 0.000 0.254 376 G HA3 -0.318 3.642 3.960 0.000 0.000 0.254 376 G C 0.988 175.861 174.900 -0.044 0.000 0.982 376 G CA 0.503 45.559 45.100 -0.073 0.000 0.632 376 G HN 0.571 nan 8.290 nan 0.000 0.529 377 E N 0.987 121.157 120.200 -0.049 0.000 2.150 377 E HA -0.054 4.296 4.350 0.000 0.000 0.193 377 E C 2.634 179.229 176.600 -0.009 0.000 0.985 377 E CA 1.710 58.095 56.400 -0.025 0.000 0.814 377 E CB -0.169 29.517 29.700 -0.024 0.000 0.752 377 E HN 0.773 nan 8.360 nan 0.000 0.466 378 S N -0.807 114.889 115.700 -0.007 0.000 2.453 378 S HA 0.005 4.475 4.470 0.000 0.000 0.231 378 S C 1.782 176.381 174.600 -0.002 0.000 1.005 378 S CA 0.867 59.067 58.200 0.001 0.000 0.949 378 S CB -0.203 62.995 63.200 -0.002 0.000 0.774 378 S HN 0.499 nan 8.310 nan 0.000 0.510 379 G N 0.362 109.161 108.800 -0.002 0.000 2.168 379 G HA2 -0.203 3.757 3.960 0.000 0.000 0.263 379 G HA3 -0.203 3.757 3.960 0.000 0.000 0.263 379 G C -0.192 174.699 174.900 -0.014 0.000 0.977 379 G CA 0.591 45.690 45.100 -0.002 0.000 0.659 379 G HN 0.496 nan 8.290 nan 0.000 0.533 380 L N -0.786 120.425 121.223 -0.020 0.000 2.334 380 L HA 0.978 5.318 4.340 0.000 0.000 0.270 380 L C 0.020 176.899 176.870 0.016 0.000 1.018 380 L CA -1.453 53.357 54.840 -0.050 0.000 0.811 380 L CB 1.673 43.669 42.059 -0.105 0.000 1.271 380 L HN 0.260 nan 8.230 nan 0.000 0.443 381 L N 1.325 122.556 121.223 0.015 0.000 2.543 381 L HA 0.851 5.191 4.340 0.000 0.000 0.265 381 L C -1.119 175.798 176.870 0.078 0.000 0.945 381 L CA -0.111 54.787 54.840 0.097 0.000 0.869 381 L CB 1.601 43.703 42.059 0.071 0.000 1.294 381 L HN 0.703 nan 8.230 nan 0.000 0.405 382 A N 3.982 126.896 122.820 0.157 0.000 2.384 382 A HA 0.872 5.192 4.320 0.000 0.000 0.312 382 A C -1.848 175.826 177.584 0.149 0.000 1.113 382 A CA -0.571 51.549 52.037 0.138 0.000 0.779 382 A CB 1.532 20.649 19.000 0.194 0.000 1.307 382 A HN 0.584 nan 8.150 nan 0.000 0.436 383 L N 1.204 122.411 121.223 -0.027 0.000 2.276 383 L HA 0.355 4.695 4.340 0.000 0.000 0.286 383 L C 0.491 177.261 176.870 -0.167 0.000 1.024 383 L CA -0.138 54.480 54.840 -0.370 0.000 0.826 383 L CB 0.912 42.463 42.059 -0.847 0.000 1.211 383 L HN 0.828 nan 8.230 nan 0.000 0.422 384 D N 3.204 123.599 120.400 -0.007 0.000 2.430 384 D HA -0.192 4.448 4.640 0.000 0.000 0.240 384 D C 0.001 176.640 176.300 0.565 0.000 1.078 384 D CA 0.911 55.091 54.000 0.299 0.000 0.997 384 D CB 0.082 41.153 40.800 0.450 0.000 0.868 384 D HN 0.361 nan 8.370 nan 0.000 0.518 385 W N -0.571 120.906 121.300 0.296 0.000 2.410 385 W HA 0.259 4.919 4.660 0.000 0.000 0.400 385 W C 0.940 177.539 176.519 0.134 0.000 0.777 385 W CA -1.374 56.071 57.345 0.166 0.000 2.632 385 W CB -1.698 27.777 29.460 0.025 0.000 1.504 385 W HN 0.188 nan 8.180 nan 0.000 0.757 386 W N 0.689 122.039 121.300 0.083 0.000 2.350 386 W HA -0.159 4.500 4.660 -0.000 0.000 0.289 386 W C 0.922 177.422 176.519 -0.032 0.000 1.215 386 W CA 1.119 58.426 57.345 -0.063 0.000 1.236 386 W CB -0.133 29.240 29.460 -0.146 0.000 1.130 386 W HN 0.073 nan 8.180 nan 0.000 0.541 387 N N -0.993 117.856 118.700 0.248 0.000 2.480 387 N HA 0.296 5.036 4.740 0.000 0.000 0.281 387 N C 0.253 175.811 175.510 0.078 0.000 1.381 387 N CA 0.409 53.538 53.050 0.132 0.000 0.903 387 N CB 0.238 38.804 38.487 0.133 0.000 1.274 387 N HN 0.010 nan 8.380 nan 0.000 0.505 388 G N 1.503 110.341 108.800 0.064 0.000 2.681 388 G HA2 -0.277 3.683 3.960 0.000 0.000 0.220 388 G HA3 -0.277 3.683 3.960 0.000 0.000 0.220 388 G C -0.790 174.044 174.900 -0.111 0.000 1.353 388 G CA -0.571 44.497 45.100 -0.054 0.000 0.872 388 G HN 0.527 nan 8.290 nan 0.000 0.557 389 N N -1.035 117.521 118.700 -0.240 0.000 2.397 389 N HA 0.629 5.369 4.740 0.000 0.000 0.291 389 N C 0.828 176.258 175.510 -0.133 0.000 1.065 389 N CA -0.673 52.224 53.050 -0.256 0.000 0.884 389 N CB 1.521 39.605 38.487 -0.671 0.000 1.551 389 N HN 0.569 nan 8.380 nan 0.000 0.487 390 R N 1.558 122.049 120.500 -0.016 0.000 2.040 390 R HA 0.361 4.701 4.340 0.000 0.000 0.209 390 R C -0.258 176.070 176.300 0.046 0.000 1.281 390 R CA 0.591 56.706 56.100 0.024 0.000 1.064 390 R CB -0.545 29.808 30.300 0.088 0.000 0.950 390 R HN 0.551 nan 8.270 nan 0.000 0.462 391 S N 1.572 117.328 115.700 0.093 0.000 2.505 391 S HA 0.248 4.718 4.470 0.000 0.000 0.276 391 S C 1.122 175.757 174.600 0.059 0.000 1.274 391 S CA 0.547 58.796 58.200 0.081 0.000 1.053 391 S CB 0.295 63.556 63.200 0.101 0.000 0.919 391 S HN 0.440 nan 8.310 nan 0.000 0.490 392 I N 0.932 121.516 120.570 0.023 0.000 4.122 392 I HA -0.265 3.905 4.170 0.000 0.000 0.112 392 I C 0.134 176.269 176.117 0.029 0.000 0.437 392 I CA 1.116 62.428 61.300 0.020 0.000 1.238 392 I CB -0.944 37.080 38.000 0.040 0.000 1.096 392 I HN 0.547 nan 8.210 nan 0.000 0.182 393 L N 1.427 122.648 121.223 -0.003 0.000 2.425 393 L HA 0.423 4.763 4.340 0.000 0.000 0.215 393 L C 1.379 178.176 176.870 -0.121 0.000 1.065 393 L CA 1.596 56.376 54.840 -0.100 0.000 0.842 393 L CB 0.416 42.316 42.059 -0.266 0.000 1.033 393 L HN 0.402 nan 8.230 nan 0.000 0.474 394 V N 0.994 120.851 119.914 -0.094 0.000 5.830 394 V HA -0.246 3.874 4.120 0.000 0.000 0.274 394 V C -0.372 175.650 176.094 -0.121 0.000 0.632 394 V CA 0.952 63.207 62.300 -0.075 0.000 0.594 394 V CB -1.891 29.916 31.823 -0.027 0.000 0.249 394 V HN 0.502 nan 8.190 nan 0.000 0.697 395 D N 0.102 120.389 120.400 -0.188 0.000 2.476 395 D HA 0.360 5.000 4.640 0.000 0.000 0.251 395 D C 0.882 177.060 176.300 -0.204 0.000 1.291 395 D CA 0.330 54.208 54.000 -0.204 0.000 0.939 395 D CB 2.173 42.807 40.800 -0.276 0.000 1.221 395 D HN 0.249 nan 8.370 nan 0.000 0.567 396 T N 1.797 116.266 114.554 -0.143 0.000 3.035 396 T HA -0.071 4.279 4.350 0.000 0.000 0.268 396 T C 0.851 175.482 174.700 -0.116 0.000 1.109 396 T CA 1.001 63.029 62.100 -0.119 0.000 1.119 396 T CB 0.188 68.997 68.868 -0.099 0.000 0.900 396 T HN 0.222 nan 8.240 nan 0.000 0.503 397 E N 0.942 121.066 120.200 -0.127 0.000 2.437 397 E HA 0.255 4.605 4.350 0.000 0.000 0.189 397 E C 0.194 176.725 176.600 -0.114 0.000 1.054 397 E CA -0.071 56.265 56.400 -0.107 0.000 0.874 397 E CB 0.013 29.659 29.700 -0.090 0.000 1.011 397 E HN 0.568 nan 8.360 nan 0.000 0.474 398 L N -0.028 121.097 121.223 -0.164 0.000 2.421 398 L HA 0.286 4.626 4.340 0.000 0.000 0.263 398 L C 0.690 177.562 176.870 0.003 0.000 1.122 398 L CA -0.271 54.494 54.840 -0.125 0.000 0.804 398 L CB 1.198 42.972 42.059 -0.475 0.000 1.150 398 L HN -0.142 nan 8.230 nan 0.000 0.457 399 S N -0.659 115.096 115.700 0.092 0.000 2.638 399 S HA 0.701 5.171 4.470 0.000 0.000 0.302 399 S C -0.177 174.379 174.600 -0.074 0.000 1.096 399 S CA -0.500 57.671 58.200 -0.049 0.000 0.953 399 S CB 1.837 64.935 63.200 -0.169 0.000 1.107 399 S HN 0.727 nan 8.310 nan 0.000 0.503 400 G N 1.301 109.857 108.800 -0.407 0.000 2.539 400 G HA2 0.536 4.496 3.960 0.000 0.000 0.258 400 G HA3 0.536 4.496 3.960 0.000 0.000 0.258 400 G C -0.733 173.753 174.900 -0.689 0.000 1.202 400 G CA -0.266 44.437 45.100 -0.661 0.000 0.851 400 G HN 0.618 nan 8.290 nan 0.000 0.556 401 M N 1.136 120.447 119.600 -0.483 0.000 2.433 401 M HA 0.555 5.035 4.480 0.000 0.000 0.290 401 M C -2.210 174.026 176.300 -0.108 0.000 1.173 401 M CA -0.905 54.189 55.300 -0.344 0.000 0.905 401 M CB 2.230 34.577 32.600 -0.421 0.000 1.692 401 M HN 0.401 nan 8.290 nan 0.000 0.462 402 L N 4.993 126.204 121.223 -0.020 0.000 2.381 402 L HA 0.715 5.055 4.340 0.000 0.000 0.274 402 L C -1.760 175.104 176.870 -0.009 0.000 0.988 402 L CA -0.432 54.430 54.840 0.036 0.000 0.824 402 L CB 1.810 43.962 42.059 0.156 0.000 1.263 402 L HN 0.835 nan 8.230 nan 0.000 0.410 403 L N 3.361 124.533 121.223 -0.085 0.000 2.401 403 L HA 0.845 5.185 4.340 0.000 0.000 0.266 403 L C 0.535 177.347 176.870 -0.096 0.000 0.991 403 L CA 0.380 55.196 54.840 -0.041 0.000 0.818 403 L CB 2.199 44.260 42.059 0.003 0.000 1.321 403 L HN 0.713 nan 8.230 nan 0.000 0.413 404 G N 1.395 110.178 108.800 -0.028 0.000 2.168 404 G HA2 -0.252 3.708 3.960 0.000 0.000 0.197 404 G HA3 -0.252 3.708 3.960 0.000 0.000 0.197 404 G C -0.394 174.511 174.900 0.009 0.000 0.997 404 G CA -0.231 44.856 45.100 -0.021 0.000 0.658 404 G HN 0.482 nan 8.290 nan 0.000 0.513 405 Y N 2.141 122.471 120.300 0.051 0.000 2.712 405 Y HA 0.392 4.942 4.550 0.000 0.000 0.333 405 Y C 1.496 177.424 175.900 0.046 0.000 1.225 405 Y CA 1.328 59.461 58.100 0.056 0.000 1.499 405 Y CB 0.735 39.233 38.460 0.063 0.000 1.288 405 Y HN 0.388 nan 8.280 nan 0.000 0.575 406 T N -0.718 113.975 114.554 0.231 0.000 2.887 406 T HA 0.412 4.762 4.350 0.000 0.000 0.292 406 T C 0.500 175.279 174.700 0.131 0.000 1.087 406 T CA -1.030 61.154 62.100 0.140 0.000 1.009 406 T CB 0.885 69.808 68.868 0.092 0.000 1.203 406 T HN 0.554 nan 8.240 nan 0.000 0.518 407 L N 0.217 121.492 121.223 0.088 0.000 2.450 407 L HA -0.003 4.337 4.340 0.000 0.000 0.224 407 L C 2.047 178.962 176.870 0.075 0.000 1.149 407 L CA 0.895 55.778 54.840 0.072 0.000 0.816 407 L CB -0.277 41.812 42.059 0.050 0.000 0.932 407 L HN 0.607 nan 8.230 nan 0.000 0.449 408 Q N -0.792 119.056 119.800 0.081 0.000 2.179 408 Q HA 0.169 4.509 4.340 0.000 0.000 0.213 408 Q C 0.160 176.215 176.000 0.091 0.000 0.833 408 Q CA 0.063 55.910 55.803 0.074 0.000 0.990 408 Q CB 0.686 29.458 28.738 0.056 0.000 1.132 408 Q HN 0.195 nan 8.270 nan 0.000 0.493 409 T N 2.001 116.633 114.554 0.129 0.000 2.853 409 T HA 0.156 4.506 4.350 0.000 0.000 0.298 409 T C 0.321 175.114 174.700 0.154 0.000 0.978 409 T CA 0.502 62.692 62.100 0.150 0.000 1.152 409 T CB 0.757 69.771 68.868 0.243 0.000 0.914 409 T HN -0.054 nan 8.240 nan 0.000 0.539 410 K N 4.049 124.526 120.400 0.129 0.000 2.166 410 K HA 0.291 4.611 4.320 0.000 0.000 0.245 410 K C -1.770 174.936 176.600 0.175 0.000 0.967 410 K CA -2.330 54.037 56.287 0.133 0.000 0.863 410 K CB 1.360 33.916 32.500 0.093 0.000 1.107 410 K HN 0.136 nan 8.250 nan 0.000 0.436 411 P HA -0.276 nan 4.420 nan 0.000 0.215 411 P C 1.043 178.526 177.300 0.306 0.000 1.163 411 P CA 1.535 64.829 63.100 0.324 0.000 0.894 411 P CB 0.182 32.007 31.700 0.208 0.000 0.791 412 E N 0.554 120.859 120.200 0.176 0.000 2.204 412 E HA -0.229 4.121 4.350 0.000 0.000 0.195 412 E C 1.589 178.284 176.600 0.158 0.000 0.990 412 E CA 1.412 57.904 56.400 0.154 0.000 0.821 412 E CB -0.974 28.771 29.700 0.076 0.000 0.750 412 E HN 0.406 nan 8.360 nan 0.000 0.477 413 E N 0.750 121.018 120.200 0.113 0.000 2.046 413 E HA -0.079 4.271 4.350 0.000 0.000 0.190 413 E C 2.238 178.849 176.600 0.018 0.000 0.982 413 E CA 0.787 57.223 56.400 0.061 0.000 0.800 413 E CB -0.176 29.555 29.700 0.051 0.000 0.756 413 E HN 0.212 nan 8.360 nan 0.000 0.449 414 I N 0.924 121.507 120.570 0.021 0.000 2.394 414 I HA -0.230 3.940 4.170 0.000 0.000 0.251 414 I C 2.034 178.000 176.117 -0.252 0.000 1.136 414 I CA 1.345 62.580 61.300 -0.107 0.000 1.425 414 I CB -0.414 37.560 38.000 -0.043 0.000 1.079 414 I HN 0.113 nan 8.210 nan 0.000 0.425 415 Y N 2.292 122.403 120.300 -0.315 0.000 2.181 415 Y HA -0.277 4.273 4.550 0.000 0.000 0.288 415 Y C 2.819 178.580 175.900 -0.232 0.000 1.146 415 Y CA 2.539 60.449 58.100 -0.317 0.000 1.164 415 Y CB -0.507 37.934 38.460 -0.031 0.000 0.982 415 Y HN 0.168 nan 8.280 nan 0.000 0.515 416 R N 0.594 121.014 120.500 -0.134 0.000 2.096 416 R HA -0.122 4.218 4.340 0.000 0.000 0.235 416 R C 2.266 178.435 176.300 -0.219 0.000 1.127 416 R CA 1.463 57.446 56.100 -0.195 0.000 0.968 416 R CB -0.724 29.551 30.300 -0.042 0.000 0.861 416 R HN 0.395 nan 8.270 nan 0.000 0.440 417 A N 0.603 123.328 122.820 -0.159 0.000 1.930 417 A HA -0.073 4.247 4.320 0.000 0.000 0.217 417 A C 2.147 179.653 177.584 -0.129 0.000 1.175 417 A CA 1.286 53.263 52.037 -0.100 0.000 0.627 417 A CB -0.476 18.483 19.000 -0.069 0.000 0.815 417 A HN 0.360 nan 8.150 nan 0.000 0.443 418 L N -1.183 119.907 121.223 -0.221 0.000 2.027 418 L HA -0.150 4.190 4.340 0.000 0.000 0.206 418 L C 2.458 179.260 176.870 -0.115 0.000 1.074 418 L CA 0.639 55.377 54.840 -0.170 0.000 0.745 418 L CB -0.661 41.257 42.059 -0.235 0.000 0.898 418 L HN 0.267 nan 8.230 nan 0.000 0.433 419 L N 0.246 121.237 121.223 -0.386 0.000 1.990 419 L HA -0.251 4.089 4.340 0.000 0.000 0.213 419 L C 2.560 179.280 176.870 -0.250 0.000 1.072 419 L CA 1.819 56.437 54.840 -0.370 0.000 0.755 419 L CB -0.882 40.825 42.059 -0.588 0.000 0.889 419 L HN 0.260 nan 8.230 nan 0.000 0.432 420 E N -1.117 118.869 120.200 -0.357 0.000 2.110 420 E HA -0.206 4.144 4.350 0.000 0.000 0.193 420 E C 2.212 178.283 176.600 -0.882 0.000 0.988 420 E CA 1.057 57.067 56.400 -0.651 0.000 0.804 420 E CB -0.240 29.189 29.700 -0.451 0.000 0.745 420 E HN 0.528 nan 8.360 nan 0.000 0.458 421 A N 1.259 123.885 122.820 -0.324 0.000 1.933 421 A HA -0.206 4.114 4.320 0.000 0.000 0.218 421 A C 2.467 180.002 177.584 -0.082 0.000 1.175 421 A CA 2.107 54.126 52.037 -0.030 0.000 0.628 421 A CB -1.092 18.006 19.000 0.163 0.000 0.814 421 A HN 0.414 nan 8.150 nan 0.000 0.444 422 T N -2.421 112.100 114.554 -0.056 0.000 2.867 422 T HA 0.138 4.488 4.350 0.000 0.000 0.268 422 T C 1.850 176.425 174.700 -0.208 0.000 1.057 422 T CA 1.473 63.595 62.100 0.038 0.000 1.136 422 T CB -0.415 68.589 68.868 0.227 0.000 0.874 422 T HN 0.523 nan 8.240 nan 0.000 0.466 423 A N 0.768 123.241 122.820 -0.577 0.000 1.968 423 A HA 0.235 4.555 4.320 0.000 0.000 0.217 423 A C 1.897 178.999 177.584 -0.804 0.000 1.169 423 A CA 0.760 52.072 52.037 -1.209 0.000 0.638 423 A CB -0.884 17.407 19.000 -1.182 0.000 0.812 423 A HN 0.468 nan 8.150 nan 0.000 0.446 424 F N 0.499 120.111 119.950 -0.563 0.000 2.234 424 F HA 0.035 4.562 4.527 0.000 0.000 0.299 424 F C 2.573 178.085 175.800 -0.480 0.000 1.087 424 F CA 0.413 58.026 58.000 -0.645 0.000 1.340 424 F CB -1.248 36.998 39.000 -1.256 0.000 1.031 424 F HN 0.256 nan 8.300 nan 0.000 0.500 425 G N -1.143 107.593 108.800 -0.106 0.000 2.422 425 G HA2 -0.196 3.764 3.960 0.000 0.000 0.218 425 G HA3 -0.196 3.764 3.960 0.000 0.000 0.218 425 G C 1.802 176.743 174.900 0.069 0.000 1.146 425 G CA 1.423 46.631 45.100 0.181 0.000 0.769 425 G HN 0.303 nan 8.290 nan 0.000 0.547 426 T N -0.187 114.308 114.554 -0.098 0.000 2.857 426 T HA -0.022 4.328 4.350 0.000 0.000 0.266 426 T C 2.348 176.933 174.700 -0.192 0.000 1.048 426 T CA 1.085 63.119 62.100 -0.110 0.000 1.139 426 T CB -0.027 68.768 68.868 -0.122 0.000 0.874 426 T HN 0.323 nan 8.240 nan 0.000 0.455 427 R N 0.894 121.224 120.500 -0.282 0.000 2.081 427 R HA -0.030 4.310 4.340 0.000 0.000 0.235 427 R C 2.512 178.712 176.300 -0.167 0.000 1.131 427 R CA 1.431 57.329 56.100 -0.338 0.000 0.960 427 R CB -0.416 29.463 30.300 -0.701 0.000 0.856 427 R HN 0.337 nan 8.270 nan 0.000 0.436 428 A N 1.277 124.111 122.820 0.023 0.000 1.908 428 A HA -0.157 4.163 4.320 0.000 0.000 0.218 428 A C 2.025 179.608 177.584 -0.003 0.000 1.181 428 A CA 1.416 53.523 52.037 0.116 0.000 0.627 428 A CB -0.434 18.683 19.000 0.195 0.000 0.818 428 A HN 0.299 nan 8.150 nan 0.000 0.445 429 I N -0.410 120.120 120.570 -0.067 0.000 2.163 429 I HA -0.157 4.013 4.170 0.000 0.000 0.240 429 I C 2.624 178.675 176.117 -0.110 0.000 1.081 429 I CA 1.518 62.716 61.300 -0.170 0.000 1.353 429 I CB -1.558 36.251 38.000 -0.318 0.000 1.054 429 I HN 0.263 nan 8.210 nan 0.000 0.407 430 V N 1.569 121.458 119.914 -0.042 0.000 2.407 430 V HA -0.269 3.851 4.120 0.000 0.000 0.248 430 V C 2.076 178.207 176.094 0.062 0.000 1.055 430 V CA 2.255 64.599 62.300 0.073 0.000 1.049 430 V CB -0.493 31.327 31.823 -0.005 0.000 0.662 430 V HN 0.288 nan 8.190 nan 0.000 0.455 431 D N 0.432 120.826 120.400 -0.011 0.000 2.178 431 D HA -0.028 4.612 4.640 0.000 0.000 0.202 431 D C 2.227 178.549 176.300 0.036 0.000 0.974 431 D CA 1.525 55.538 54.000 0.022 0.000 0.841 431 D CB -0.329 40.485 40.800 0.024 0.000 0.953 431 D HN 0.594 nan 8.370 nan 0.000 0.478 432 A N 0.063 122.857 122.820 -0.044 0.000 1.898 432 A HA -0.140 4.180 4.320 0.000 0.000 0.216 432 A C 1.936 179.449 177.584 -0.119 0.000 1.181 432 A CA 0.912 52.877 52.037 -0.120 0.000 0.620 432 A CB -0.751 18.100 19.000 -0.247 0.000 0.819 432 A HN 0.094 nan 8.150 nan 0.000 0.442 433 F N -0.511 119.418 119.950 -0.035 0.000 2.039 433 F HA 0.050 4.577 4.527 0.000 0.000 0.294 433 F C 1.552 177.309 175.800 -0.072 0.000 1.130 433 F CA 1.063 59.004 58.000 -0.098 0.000 1.189 433 F CB -1.188 37.737 39.000 -0.126 0.000 0.983 433 F HN 0.366 nan 8.300 nan 0.000 0.471 434 H N -0.847 118.284 119.070 0.103 0.000 2.836 434 H HA 0.355 4.911 4.556 0.000 0.000 0.368 434 H C 1.258 176.593 175.328 0.011 0.000 1.164 434 H CA 0.738 56.792 56.048 0.009 0.000 1.425 434 H CB 0.497 30.247 29.762 -0.020 0.000 1.414 434 H HN 0.403 nan 8.280 nan 0.000 0.614 435 G N 2.570 111.329 108.800 -0.068 0.000 2.245 435 G HA2 -0.356 3.604 3.960 0.000 0.000 0.264 435 G HA3 -0.356 3.604 3.960 0.000 0.000 0.264 435 G C 1.349 176.246 174.900 -0.006 0.000 0.985 435 G CA 0.815 45.931 45.100 0.028 0.000 0.625 435 G HN 0.625 nan 8.290 nan 0.000 0.536 436 R N 0.081 120.569 120.500 -0.020 0.000 2.437 436 R HA 0.485 4.825 4.340 0.000 0.000 0.257 436 R C 1.971 178.253 176.300 -0.031 0.000 0.927 436 R CA 1.546 57.640 56.100 -0.010 0.000 1.078 436 R CB 0.099 30.401 30.300 0.004 0.000 1.161 436 R HN 1.367 nan 8.270 nan 0.000 0.529 437 G N -0.822 107.927 108.800 -0.085 0.000 2.313 437 G HA2 -0.246 3.714 3.960 0.000 0.000 0.215 437 G HA3 -0.246 3.714 3.960 0.000 0.000 0.215 437 G C -0.211 174.614 174.900 -0.125 0.000 1.023 437 G CA 0.002 45.044 45.100 -0.097 0.000 0.626 437 G HN 0.098 nan 8.290 nan 0.000 0.503 438 V N 3.552 123.390 119.914 -0.128 0.000 2.149 438 V HA 0.298 4.418 4.120 0.000 0.000 0.245 438 V C 0.840 176.821 176.094 -0.188 0.000 1.349 438 V CA -0.220 61.967 62.300 -0.187 0.000 1.289 438 V CB -0.276 31.322 31.823 -0.375 0.000 1.401 438 V HN 0.480 nan 8.190 nan 0.000 0.501 439 E N 2.022 122.088 120.200 -0.223 0.000 2.467 439 E HA 0.166 4.516 4.350 0.000 0.000 0.264 439 E C -0.566 175.893 176.600 -0.235 0.000 1.020 439 E CA 0.054 56.282 56.400 -0.287 0.000 0.945 439 E CB 0.932 30.417 29.700 -0.359 0.000 0.942 439 E HN 0.401 nan 8.360 nan 0.000 0.449 440 V N 3.714 123.565 119.914 -0.105 0.000 2.398 440 V HA 0.089 4.209 4.120 0.000 0.000 0.282 440 V C 0.039 176.010 176.094 -0.206 0.000 1.014 440 V CA -0.638 61.580 62.300 -0.138 0.000 0.838 440 V CB 0.891 32.707 31.823 -0.012 0.000 1.018 440 V HN 0.710 nan 8.190 nan 0.000 0.432 441 H N 1.672 120.795 119.070 0.088 0.000 2.615 441 H HA 0.401 4.957 4.556 0.000 0.000 0.275 441 H C 0.369 175.718 175.328 0.035 0.000 0.981 441 H CA 0.243 56.326 56.048 0.058 0.000 1.252 441 H CB 1.370 31.171 29.762 0.065 0.000 1.447 441 H HN 0.557 nan 8.280 nan 0.000 0.498 442 E N 0.657 120.952 120.200 0.159 0.000 2.336 442 E HA 0.483 4.833 4.350 0.000 0.000 0.267 442 E C -1.252 175.400 176.600 0.086 0.000 0.906 442 E CA -0.919 55.535 56.400 0.090 0.000 0.781 442 E CB 2.904 32.681 29.700 0.129 0.000 1.261 442 E HN -0.135 nan 8.360 nan 0.000 0.436 443 L N 1.599 122.805 121.223 -0.028 0.000 2.381 443 L HA 0.468 4.808 4.340 0.000 0.000 0.268 443 L C -1.542 175.237 176.870 -0.153 0.000 0.997 443 L CA -0.484 54.372 54.840 0.027 0.000 0.818 443 L CB 1.206 43.290 42.059 0.041 0.000 1.310 443 L HN 0.489 nan 8.230 nan 0.000 0.416 444 Y N 1.452 121.769 120.300 0.028 0.000 2.406 444 Y HA 0.792 5.342 4.550 0.000 0.000 0.340 444 Y C 0.007 175.900 175.900 -0.012 0.000 0.975 444 Y CA -0.864 57.242 58.100 0.009 0.000 1.056 444 Y CB 2.265 40.724 38.460 -0.003 0.000 1.210 444 Y HN 0.626 nan 8.280 nan 0.000 0.448 445 A N 2.329 125.200 122.820 0.084 0.000 2.386 445 A HA 0.910 5.230 4.320 0.000 0.000 0.311 445 A C -0.767 176.813 177.584 -0.007 0.000 1.068 445 A CA -0.556 51.478 52.037 -0.004 0.000 0.743 445 A CB 0.633 19.574 19.000 -0.099 0.000 1.258 445 A HN 1.051 nan 8.150 nan 0.000 0.429 446 C N -1.543 117.733 119.300 -0.041 0.000 3.332 446 C HA 0.947 5.407 4.460 0.000 0.000 0.329 446 C C 0.825 175.775 174.990 -0.067 0.000 1.434 446 C CA 0.023 59.018 59.018 -0.038 0.000 1.314 446 C CB 0.921 28.650 27.740 -0.019 0.000 1.664 446 C HN 2.763 nan 8.230 nan 0.000 0.457 447 G N -0.529 108.237 108.800 -0.057 0.000 2.143 447 G HA2 0.409 4.369 3.960 0.000 0.000 0.175 447 G HA3 0.409 4.369 3.960 0.000 0.000 0.175 447 G C 1.426 176.292 174.900 -0.057 0.000 1.004 447 G CA 1.139 46.201 45.100 -0.064 0.000 0.671 447 G HN 3.145 nan 8.290 nan 0.000 0.512 448 G N -0.527 108.245 108.800 -0.046 0.000 2.640 448 G HA2 -0.278 3.682 3.960 0.000 0.000 0.226 448 G HA3 -0.278 3.682 3.960 0.000 0.000 0.226 448 G C 1.426 176.299 174.900 -0.045 0.000 1.222 448 G CA 1.213 46.292 45.100 -0.035 0.000 0.729 448 G HN 1.510 nan 8.290 nan 0.000 0.516 449 L N 2.660 123.842 121.223 -0.067 0.000 2.043 449 L HA 0.094 4.434 4.340 0.000 0.000 0.212 449 L C 0.293 177.093 176.870 -0.118 0.000 1.075 449 L CA 3.379 58.172 54.840 -0.079 0.000 0.752 449 L CB -1.061 40.935 42.059 -0.105 0.000 0.891 449 L HN 0.364 nan 8.230 nan 0.000 0.432 450 P HA -0.127 nan 4.420 nan 0.000 0.221 450 P C 1.298 178.506 177.300 -0.154 0.000 1.150 450 P CA 0.983 63.959 63.100 -0.207 0.000 0.800 450 P CB -0.011 31.590 31.700 -0.165 0.000 0.787 451 Q N -0.299 119.473 119.800 -0.047 0.000 2.172 451 Q HA -0.092 4.248 4.340 0.000 0.000 0.200 451 Q C 1.987 178.070 176.000 0.139 0.000 0.964 451 Q CA 1.181 57.017 55.803 0.054 0.000 0.855 451 Q CB -0.590 28.171 28.738 0.038 0.000 0.918 451 Q HN 0.291 nan 8.270 nan 0.000 0.444 452 K N 0.333 120.773 120.400 0.068 0.000 2.323 452 K HA -0.005 4.315 4.320 0.000 0.000 0.197 452 K C -0.004 176.661 176.600 0.109 0.000 1.043 452 K CA 0.343 56.677 56.287 0.078 0.000 0.997 452 K CB 0.454 32.963 32.500 0.014 0.000 0.807 452 K HN -0.037 nan 8.250 nan 0.000 0.497 453 N N 1.145 119.892 118.700 0.078 0.000 2.804 453 N HA 0.086 4.826 4.740 0.000 0.000 0.251 453 N C -0.361 175.154 175.510 0.008 0.000 1.250 453 N CA -0.101 52.983 53.050 0.057 0.000 0.820 453 N CB 0.424 38.902 38.487 -0.015 0.000 1.156 453 N HN 0.038 nan 8.380 nan 0.000 0.512 454 H N 0.697 119.746 119.070 -0.035 0.000 2.491 454 H HA -0.043 4.513 4.556 0.000 0.000 0.290 454 H C 1.669 176.941 175.328 -0.094 0.000 1.050 454 H CA 0.744 56.780 56.048 -0.019 0.000 1.309 454 H CB 0.493 30.359 29.762 0.173 0.000 1.392 454 H HN 0.391 nan 8.280 nan 0.000 0.554 455 L N -0.120 121.136 121.223 0.054 0.000 2.109 455 L HA -0.058 4.282 4.340 0.000 0.000 0.207 455 L C 2.004 178.812 176.870 -0.104 0.000 1.086 455 L CA 1.270 56.113 54.840 0.005 0.000 0.760 455 L CB -0.716 41.361 42.059 0.029 0.000 0.910 455 L HN 0.305 nan 8.230 nan 0.000 0.437 456 L N -1.146 119.980 121.223 -0.160 0.000 1.989 456 L HA -0.242 4.098 4.340 0.000 0.000 0.211 456 L C 2.504 179.207 176.870 -0.277 0.000 1.071 456 L CA 1.581 56.302 54.840 -0.198 0.000 0.749 456 L CB -0.250 41.675 42.059 -0.223 0.000 0.890 456 L HN 0.335 nan 8.230 nan 0.000 0.431 457 M N -1.020 118.262 119.600 -0.532 0.000 2.202 457 M HA -0.254 4.226 4.480 0.000 0.000 0.262 457 M C 2.123 178.024 176.300 -0.665 0.000 1.063 457 M CA 1.587 56.384 55.300 -0.839 0.000 1.097 457 M CB -1.296 30.324 32.600 -1.632 0.000 1.382 457 M HN 0.284 nan 8.290 nan 0.000 0.413 458 Q N 0.702 120.236 119.800 -0.443 0.000 2.123 458 Q HA 0.039 4.379 4.340 0.000 0.000 0.199 458 Q C 1.875 177.868 176.000 -0.011 0.000 0.966 458 Q CA 1.348 57.111 55.803 -0.068 0.000 0.845 458 Q CB -0.293 28.515 28.738 0.117 0.000 0.907 458 Q HN 0.565 nan 8.270 nan 0.000 0.439 459 I N -0.523 120.010 120.570 -0.062 0.000 2.315 459 I HA -0.219 3.951 4.170 0.000 0.000 0.248 459 I C 1.661 177.656 176.117 -0.203 0.000 1.117 459 I CA 0.882 62.090 61.300 -0.154 0.000 1.404 459 I CB -0.241 37.634 38.000 -0.208 0.000 1.071 459 I HN 0.186 nan 8.210 nan 0.000 0.419 460 F N 0.795 120.555 119.950 -0.315 0.000 2.171 460 F HA -0.266 4.261 4.527 -0.000 0.000 0.300 460 F C 2.603 178.278 175.800 -0.207 0.000 1.090 460 F CA 1.180 59.016 58.000 -0.274 0.000 1.293 460 F CB -0.240 38.623 39.000 -0.228 0.000 1.013 460 F HN 0.034 nan 8.300 nan 0.000 0.486 461 A N -0.063 122.776 122.820 0.031 0.000 1.873 461 A HA -0.187 4.133 4.320 0.000 0.000 0.215 461 A C 1.869 179.460 177.584 0.013 0.000 1.186 461 A CA 1.954 54.011 52.037 0.034 0.000 0.616 461 A CB -0.767 18.291 19.000 0.096 0.000 0.823 461 A HN 0.261 nan 8.150 nan 0.000 0.442 462 D N -0.238 120.182 120.400 0.033 0.000 2.144 462 D HA -0.094 4.546 4.640 0.000 0.000 0.199 462 D C 2.052 178.367 176.300 0.025 0.000 0.984 462 D CA 1.378 55.451 54.000 0.123 0.000 0.834 462 D CB -0.395 40.620 40.800 0.359 0.000 0.955 462 D HN 0.232 nan 8.370 nan 0.000 0.465 463 V N 1.174 120.940 119.914 -0.248 0.000 2.323 463 V HA -0.180 3.940 4.120 0.000 0.000 0.244 463 V C 2.655 178.605 176.094 -0.240 0.000 1.041 463 V CA 2.157 64.270 62.300 -0.312 0.000 1.025 463 V CB -0.786 30.683 31.823 -0.590 0.000 0.656 463 V HN 0.363 nan 8.190 nan 0.000 0.451 464 T N -2.641 111.774 114.554 -0.233 0.000 3.067 464 T HA -0.042 4.308 4.350 0.000 0.000 0.261 464 T C 1.170 175.799 174.700 -0.118 0.000 1.110 464 T CA 0.751 62.732 62.100 -0.198 0.000 1.113 464 T CB -0.475 68.304 68.868 -0.148 0.000 0.917 464 T HN 0.435 nan 8.240 nan 0.000 0.499 465 N N 0.797 119.458 118.700 -0.065 0.000 2.740 465 N HA -0.172 4.568 4.740 0.000 0.000 0.248 465 N C -0.652 174.846 175.510 -0.020 0.000 1.062 465 N CA 0.447 53.484 53.050 -0.021 0.000 0.704 465 N CB -1.309 37.166 38.487 -0.021 0.000 0.968 465 N HN 0.607 nan 8.380 nan 0.000 0.547 466 R N 0.192 120.683 120.500 -0.015 0.000 2.744 466 R HA 0.408 4.748 4.340 0.000 0.000 0.279 466 R C -0.520 175.787 176.300 0.010 0.000 0.977 466 R CA -0.754 55.344 56.100 -0.003 0.000 0.906 466 R CB 1.130 31.425 30.300 -0.009 0.000 1.197 466 R HN 0.357 nan 8.270 nan 0.000 0.463 467 E N 2.551 122.752 120.200 0.001 0.000 2.373 467 E HA 0.174 4.524 4.350 0.000 0.000 0.267 467 E C -0.756 175.825 176.600 -0.032 0.000 1.032 467 E CA -0.117 56.280 56.400 -0.005 0.000 0.889 467 E CB 0.654 30.334 29.700 -0.033 0.000 0.984 467 E HN 0.400 nan 8.360 nan 0.000 0.425 468 I N 4.054 124.631 120.570 0.012 0.000 2.410 468 I HA 0.251 4.421 4.170 0.000 0.000 0.286 468 I C -0.523 175.577 176.117 -0.028 0.000 1.009 468 I CA -0.935 60.360 61.300 -0.009 0.000 1.111 468 I CB 1.581 39.624 38.000 0.072 0.000 1.262 468 I HN 0.327 nan 8.210 nan 0.000 0.443 469 K N 4.518 124.772 120.400 -0.245 0.000 2.143 469 K HA 0.584 4.904 4.320 0.000 0.000 0.272 469 K C -0.792 175.769 176.600 -0.065 0.000 1.001 469 K CA -0.338 55.806 56.287 -0.237 0.000 0.915 469 K CB 1.696 33.852 32.500 -0.573 0.000 1.047 469 K HN 0.274 nan 8.250 nan 0.000 0.458 470 V N 2.362 122.284 119.914 0.013 0.000 2.513 470 V HA 0.529 4.649 4.120 0.000 0.000 0.299 470 V C -0.214 175.912 176.094 0.054 0.000 1.035 470 V CA -1.418 60.911 62.300 0.048 0.000 0.889 470 V CB 1.685 33.551 31.823 0.073 0.000 0.988 470 V HN 0.911 nan 8.190 nan 0.000 0.440 471 A N 3.217 126.070 122.820 0.054 0.000 2.520 471 A HA 0.528 4.848 4.320 0.000 0.000 0.245 471 A C 1.192 178.794 177.584 0.030 0.000 1.072 471 A CA 0.583 52.649 52.037 0.047 0.000 0.761 471 A CB 0.385 19.402 19.000 0.028 0.000 1.004 471 A HN 1.387 nan 8.150 nan 0.000 0.499 472 A N 2.350 125.187 122.820 0.028 0.000 2.115 472 A HA 0.344 4.664 4.320 0.000 0.000 0.211 472 A C 1.415 179.009 177.584 0.016 0.000 1.169 472 A CA 0.813 52.863 52.037 0.021 0.000 0.787 472 A CB -0.566 18.445 19.000 0.018 0.000 0.858 472 A HN 1.398 nan 8.150 nan 0.000 0.474 473 S N -0.535 115.173 115.700 0.013 0.000 2.592 473 S HA 0.290 4.760 4.470 0.000 0.000 0.271 473 S C 0.642 175.246 174.600 0.006 0.000 1.326 473 S CA 0.014 58.220 58.200 0.010 0.000 1.024 473 S CB 1.496 64.700 63.200 0.007 0.000 0.921 473 S HN 0.351 nan 8.310 nan 0.000 0.527 474 K N -0.154 120.248 120.400 0.004 0.000 2.314 474 K HA 0.122 4.442 4.320 0.000 0.000 0.198 474 K C 0.189 176.785 176.600 -0.007 0.000 1.045 474 K CA 0.552 56.839 56.287 -0.001 0.000 0.988 474 K CB 0.110 32.610 32.500 -0.001 0.000 0.783 474 K HN 0.602 nan 8.250 nan 0.000 0.484 475 Q N 0.292 120.088 119.800 -0.006 0.000 2.965 475 Q HA 0.174 4.514 4.340 0.000 0.000 0.288 475 Q C -0.221 175.776 176.000 -0.005 0.000 0.974 475 Q CA -0.106 55.691 55.803 -0.011 0.000 0.849 475 Q CB 1.358 30.088 28.738 -0.013 0.000 1.280 475 Q HN 0.106 nan 8.270 nan 0.000 0.441 476 T N 0.268 114.818 114.554 -0.007 0.000 2.684 476 T HA -0.116 4.234 4.350 0.000 0.000 0.267 476 T C -1.049 173.652 174.700 0.003 0.000 1.036 476 T CA 1.453 63.551 62.100 -0.004 0.000 1.148 476 T CB -0.647 68.215 68.868 -0.009 0.000 0.863 476 T HN 0.386 nan 8.240 nan 0.000 0.436 477 P HA -0.018 nan 4.420 nan 0.000 0.215 477 P C 1.627 178.948 177.300 0.036 0.000 1.157 477 P CA 1.359 64.470 63.100 0.018 0.000 0.868 477 P CB -0.256 31.445 31.700 0.002 0.000 0.788 478 A N -0.603 122.227 122.820 0.017 0.000 1.908 478 A HA -0.204 4.116 4.320 0.000 0.000 0.218 478 A C 2.150 179.757 177.584 0.038 0.000 1.181 478 A CA 1.626 53.677 52.037 0.023 0.000 0.627 478 A CB -1.742 17.257 19.000 -0.001 0.000 0.818 478 A HN 0.161 nan 8.150 nan 0.000 0.445 479 L N 0.271 121.509 121.223 0.026 0.000 1.989 479 L HA -0.094 4.246 4.340 0.000 0.000 0.211 479 L C 2.407 179.290 176.870 0.022 0.000 1.071 479 L CA 2.589 57.443 54.840 0.022 0.000 0.749 479 L CB -1.225 40.838 42.059 0.007 0.000 0.890 479 L HN 0.301 nan 8.230 nan 0.000 0.431 480 G N -1.187 107.631 108.800 0.030 0.000 2.442 480 G HA2 -0.287 3.673 3.960 0.000 0.000 0.219 480 G HA3 -0.287 3.673 3.960 0.000 0.000 0.219 480 G C 1.589 176.568 174.900 0.133 0.000 1.141 480 G CA 0.981 46.108 45.100 0.045 0.000 0.763 480 G HN 0.700 nan 8.290 nan 0.000 0.554 481 A N 1.078 123.990 122.820 0.154 0.000 1.898 481 A HA 0.315 4.635 4.320 0.000 0.000 0.216 481 A C 2.807 180.490 177.584 0.165 0.000 1.181 481 A CA 2.148 54.304 52.037 0.198 0.000 0.620 481 A CB -0.726 18.362 19.000 0.147 0.000 0.819 481 A HN 0.793 nan 8.150 nan 0.000 0.442 482 A N -0.619 122.263 122.820 0.103 0.000 1.969 482 A HA -0.073 4.247 4.320 0.000 0.000 0.218 482 A C 2.228 179.857 177.584 0.075 0.000 1.169 482 A CA 1.690 53.781 52.037 0.089 0.000 0.635 482 A CB -0.517 18.527 19.000 0.073 0.000 0.810 482 A HN 0.542 nan 8.150 nan 0.000 0.445 483 M N -1.978 117.631 119.600 0.015 0.000 2.099 483 M HA -0.069 4.411 4.480 0.000 0.000 0.262 483 M C 1.912 178.159 176.300 -0.087 0.000 1.067 483 M CA 1.514 56.766 55.300 -0.080 0.000 1.124 483 M CB -0.444 32.010 32.600 -0.243 0.000 1.353 483 M HN 0.415 nan 8.290 nan 0.000 0.410 484 F N 0.533 120.520 119.950 0.061 0.000 2.216 484 F HA -0.101 4.426 4.527 0.000 0.000 0.300 484 F C 2.622 178.459 175.800 0.062 0.000 1.085 484 F CA 1.256 59.291 58.000 0.059 0.000 1.326 484 F CB -0.959 38.072 39.000 0.050 0.000 1.027 484 F HN 0.106 nan 8.300 nan 0.000 0.497 485 A N -0.314 122.637 122.820 0.217 0.000 1.902 485 A HA -0.206 4.114 4.320 0.000 0.000 0.217 485 A C 2.390 180.044 177.584 0.117 0.000 1.181 485 A CA 2.010 54.136 52.037 0.148 0.000 0.623 485 A CB -1.196 17.876 19.000 0.120 0.000 0.818 485 A HN 0.392 nan 8.150 nan 0.000 0.443 486 S N -0.675 115.094 115.700 0.114 0.000 2.423 486 S HA -0.072 4.398 4.470 0.000 0.000 0.231 486 S C 1.671 176.343 174.600 0.120 0.000 1.014 486 S CA 1.389 59.652 58.200 0.105 0.000 0.965 486 S CB -0.519 62.782 63.200 0.170 0.000 0.785 486 S HN 0.224 nan 8.310 nan 0.000 0.495 487 V N 1.819 121.820 119.914 0.146 0.000 2.649 487 V HA 0.108 4.228 4.120 0.000 0.000 0.248 487 V C 3.070 179.238 176.094 0.124 0.000 1.054 487 V CA 1.252 63.643 62.300 0.151 0.000 1.073 487 V CB -1.127 30.798 31.823 0.171 0.000 0.699 487 V HN 0.649 nan 8.190 nan 0.000 0.463 488 A N 0.141 123.038 122.820 0.128 0.000 1.930 488 A HA -0.065 4.255 4.320 0.000 0.000 0.217 488 A C 2.390 180.008 177.584 0.055 0.000 1.175 488 A CA 1.887 53.978 52.037 0.090 0.000 0.627 488 A CB -0.590 18.464 19.000 0.089 0.000 0.815 488 A HN 0.532 nan 8.150 nan 0.000 0.443 489 A N -1.149 121.700 122.820 0.048 0.000 1.898 489 A HA 0.405 4.725 4.320 0.000 0.000 0.216 489 A C 1.613 179.200 177.584 0.004 0.000 1.181 489 A CA 1.643 53.691 52.037 0.019 0.000 0.620 489 A CB -1.083 17.920 19.000 0.006 0.000 0.819 489 A HN 2.206 nan 8.150 nan 0.000 0.442 490 G N -1.870 106.934 108.800 0.006 0.000 2.712 490 G HA2 0.081 4.041 3.960 0.000 0.000 0.686 490 G HA3 0.081 4.041 3.960 0.000 0.000 0.686 490 G C 0.493 175.361 174.900 -0.053 0.000 1.181 490 G CA 0.388 45.486 45.100 -0.004 0.000 0.762 490 G HN 1.316 nan 8.290 nan 0.000 0.641 491 S N -0.058 115.611 115.700 -0.051 0.000 2.447 491 S HA -0.077 4.393 4.470 0.000 0.000 0.233 491 S C 1.776 176.325 174.600 -0.086 0.000 1.006 491 S CA 1.736 59.872 58.200 -0.106 0.000 0.957 491 S CB 0.020 63.189 63.200 -0.051 0.000 0.773 491 S HN 0.990 nan 8.310 nan 0.000 0.507 492 E N 1.776 121.946 120.200 -0.050 0.000 2.070 492 E HA -0.156 4.194 4.350 0.000 0.000 0.197 492 E C 1.824 178.394 176.600 -0.050 0.000 1.004 492 E CA 1.906 58.282 56.400 -0.040 0.000 0.805 492 E CB -0.354 29.332 29.700 -0.024 0.000 0.744 492 E HN 0.622 nan 8.360 nan 0.000 0.451 493 V N -3.492 116.389 119.914 -0.055 0.000 3.623 493 V HA 0.449 4.569 4.120 0.000 0.000 0.271 493 V C 1.232 177.277 176.094 -0.082 0.000 1.248 493 V CA 0.622 62.889 62.300 -0.054 0.000 1.156 493 V CB -0.000 31.801 31.823 -0.037 0.000 0.870 493 V HN 0.366 nan 8.190 nan 0.000 0.453 494 G N -1.464 107.260 108.800 -0.126 0.000 2.183 494 G HA2 -0.005 3.956 3.960 0.000 0.000 0.168 494 G HA3 -0.005 3.956 3.960 0.000 0.000 0.168 494 G C 0.422 175.134 174.900 -0.313 0.000 1.008 494 G CA -0.064 44.925 45.100 -0.186 0.000 0.677 494 G HN 1.099 nan 8.290 nan 0.000 0.498 495 G N -0.774 107.837 108.800 -0.315 0.000 3.075 495 G HA2 0.688 4.648 3.960 0.000 0.000 0.156 495 G HA3 0.688 4.648 3.960 0.000 0.000 0.156 495 G C -0.500 173.962 174.900 -0.730 0.000 1.403 495 G CA -0.773 44.055 45.100 -0.454 0.000 1.033 495 G HN 0.402 nan 8.290 nan 0.000 0.589 496 Y N -1.541 118.752 120.300 -0.012 0.000 2.581 496 Y HA 0.370 4.920 4.550 0.000 0.000 0.345 496 Y C 0.026 175.926 175.900 0.000 0.000 1.036 496 Y CA -0.905 57.187 58.100 -0.013 0.000 1.042 496 Y CB 2.433 40.877 38.460 -0.027 0.000 1.289 496 Y HN 0.299 nan 8.280 nan 0.000 0.471 497 D N 0.424 120.931 120.400 0.178 0.000 2.349 497 D HA 0.093 4.733 4.640 0.000 0.000 0.214 497 D C -0.289 176.069 176.300 0.096 0.000 1.063 497 D CA 0.514 54.577 54.000 0.104 0.000 0.847 497 D CB 0.534 41.377 40.800 0.070 0.000 0.933 497 D HN 0.382 nan 8.370 nan 0.000 0.513 498 S N -0.806 114.956 115.700 0.103 0.000 2.543 498 S HA 0.210 4.680 4.470 0.000 0.000 0.274 498 S C 0.360 174.967 174.600 0.011 0.000 1.149 498 S CA -0.770 57.470 58.200 0.068 0.000 0.866 498 S CB 1.077 64.307 63.200 0.049 0.000 1.111 498 S HN -0.156 nan 8.310 nan 0.000 0.457 499 I N 1.921 122.485 120.570 -0.010 0.000 2.454 499 I HA -0.023 4.147 4.170 0.000 0.000 0.254 499 I C 2.277 178.301 176.117 -0.156 0.000 1.156 499 I CA 1.920 63.125 61.300 -0.160 0.000 1.433 499 I CB -0.366 37.510 38.000 -0.207 0.000 1.082 499 I HN 0.992 nan 8.210 nan 0.000 0.432 500 E N 0.121 120.281 120.200 -0.067 0.000 2.077 500 E HA -0.241 4.109 4.350 0.000 0.000 0.193 500 E C 1.895 178.417 176.600 -0.129 0.000 0.989 500 E CA 1.333 57.694 56.400 -0.066 0.000 0.800 500 E CB 0.019 29.723 29.700 0.006 0.000 0.746 500 E HN 0.477 nan 8.360 nan 0.000 0.452 501 E N 0.282 120.394 120.200 -0.146 0.000 2.072 501 E HA -0.117 4.233 4.350 0.000 0.000 0.190 501 E C 2.037 178.302 176.600 -0.559 0.000 0.982 501 E CA 0.980 57.243 56.400 -0.227 0.000 0.803 501 E CB -0.460 29.187 29.700 -0.088 0.000 0.755 501 E HN 0.364 nan 8.360 nan 0.000 0.453 502 A N 1.880 124.285 122.820 -0.692 0.000 1.883 502 A HA -0.124 4.196 4.320 0.000 0.000 0.217 502 A C 2.459 179.729 177.584 -0.524 0.000 1.186 502 A CA 2.303 53.767 52.037 -0.955 0.000 0.624 502 A CB -0.718 18.008 19.000 -0.458 0.000 0.822 502 A HN 0.266 nan 8.150 nan 0.000 0.444 503 A N -0.222 122.391 122.820 -0.345 0.000 1.940 503 A HA -0.188 4.132 4.320 0.000 0.000 0.219 503 A C 2.032 179.496 177.584 -0.200 0.000 1.176 503 A CA 1.846 53.739 52.037 -0.239 0.000 0.631 503 A CB -0.468 18.413 19.000 -0.198 0.000 0.814 503 A HN 0.559 nan 8.150 nan 0.000 0.446 504 K N -0.808 119.465 120.400 -0.212 0.000 2.442 504 K HA -0.091 4.229 4.320 0.000 0.000 0.198 504 K C 1.285 177.803 176.600 -0.135 0.000 1.044 504 K CA 1.390 57.587 56.287 -0.150 0.000 0.948 504 K CB -0.039 32.382 32.500 -0.132 0.000 0.762 504 K HN 0.469 nan 8.250 nan 0.000 0.472 505 K N -1.383 118.905 120.400 -0.187 0.000 2.502 505 K HA 0.239 4.559 4.320 0.000 0.000 0.211 505 K C 1.368 177.920 176.600 -0.081 0.000 1.259 505 K CA -0.024 56.196 56.287 -0.112 0.000 0.983 505 K CB 0.662 33.111 32.500 -0.085 0.000 1.054 505 K HN -0.016 nan 8.250 nan 0.000 0.572 506 M N 0.435 119.963 119.600 -0.120 0.000 2.491 506 M HA 0.146 4.626 4.480 0.000 0.000 0.259 506 M C 0.929 177.191 176.300 -0.063 0.000 1.163 506 M CA -0.012 55.247 55.300 -0.069 0.000 1.109 506 M CB 0.938 33.497 32.600 -0.067 0.000 1.353 506 M HN 0.042 nan 8.290 nan 0.000 0.500 507 G N 2.372 111.121 108.800 -0.086 0.000 2.365 507 G HA2 0.286 4.246 3.960 0.000 0.000 0.249 507 G HA3 0.286 4.246 3.960 0.000 0.000 0.249 507 G C -0.382 174.501 174.900 -0.029 0.000 1.288 507 G CA -0.278 44.782 45.100 -0.067 0.000 0.887 507 G HN 0.317 nan 8.290 nan 0.000 0.524 508 R N 1.524 122.017 120.500 -0.010 0.000 2.534 508 R HA 0.576 4.916 4.340 0.000 0.000 0.301 508 R C -1.394 174.925 176.300 0.032 0.000 0.961 508 R CA -0.735 55.370 56.100 0.009 0.000 0.871 508 R CB 2.543 32.848 30.300 0.007 0.000 1.170 508 R HN 0.317 nan 8.270 nan 0.000 0.446 509 V N 2.683 122.622 119.914 0.042 0.000 2.888 509 V HA 0.249 4.369 4.120 0.000 0.000 0.309 509 V C -0.239 175.871 176.094 0.026 0.000 1.114 509 V CA -1.166 61.170 62.300 0.060 0.000 0.940 509 V CB 2.511 34.403 31.823 0.115 0.000 1.021 509 V HN 0.622 nan 8.190 nan 0.000 0.426 510 K N 1.565 121.973 120.400 0.013 0.000 2.344 510 K HA 0.114 4.434 4.320 0.000 0.000 0.260 510 K C 0.484 177.067 176.600 -0.028 0.000 0.988 510 K CA 0.426 56.707 56.287 -0.009 0.000 0.909 510 K CB 0.302 32.790 32.500 -0.019 0.000 0.968 510 K HN 0.734 nan 8.250 nan 0.000 0.505 511 D N 0.264 120.641 120.400 -0.037 0.000 2.162 511 D HA -0.070 4.570 4.640 0.000 0.000 0.205 511 D C -0.262 175.992 176.300 -0.077 0.000 0.964 511 D CA 1.023 54.995 54.000 -0.045 0.000 0.847 511 D CB 0.197 40.975 40.800 -0.037 0.000 0.988 511 D HN 0.319 nan 8.370 nan 0.000 0.480 512 E N 1.417 121.553 120.200 -0.107 0.000 2.105 512 E HA 0.146 4.496 4.350 0.000 0.000 0.285 512 E C 0.374 176.811 176.600 -0.272 0.000 1.055 512 E CA -0.066 56.230 56.400 -0.172 0.000 0.843 512 E CB 0.744 30.336 29.700 -0.180 0.000 1.067 512 E HN 0.270 nan 8.360 nan 0.000 0.398 513 T N -0.602 113.804 114.554 -0.247 0.000 2.852 513 T HA 0.511 4.861 4.350 0.000 0.000 0.281 513 T C 0.100 174.549 174.700 -0.419 0.000 0.993 513 T CA -0.551 61.395 62.100 -0.257 0.000 0.933 513 T CB 0.433 69.224 68.868 -0.130 0.000 1.187 513 T HN 0.164 nan 8.240 nan 0.000 0.559 514 F N 0.902 120.816 119.950 -0.061 0.000 2.375 514 F HA 0.558 5.085 4.527 0.000 0.000 0.361 514 F C 0.207 175.989 175.800 -0.030 0.000 1.117 514 F CA -1.002 56.976 58.000 -0.037 0.000 1.037 514 F CB 1.591 40.564 39.000 -0.045 0.000 1.192 514 F HN 0.328 nan 8.300 nan 0.000 0.452 515 K N 5.284 125.750 120.400 0.111 0.000 2.156 515 K HA 0.409 4.729 4.320 0.000 0.000 0.271 515 K C -2.594 174.061 176.600 0.091 0.000 0.995 515 K CA -2.094 54.233 56.287 0.067 0.000 0.890 515 K CB 0.616 33.127 32.500 0.018 0.000 1.073 515 K HN 0.182 nan 8.250 nan 0.000 0.454 516 P HA 0.073 nan 4.420 nan 0.000 0.271 516 P C -0.467 176.865 177.300 0.054 0.000 1.216 516 P CA -0.151 62.996 63.100 0.079 0.000 0.771 516 P CB 0.540 32.274 31.700 0.057 0.000 0.864 517 I N 6.366 126.971 120.570 0.058 0.000 2.301 517 I HA 0.090 4.260 4.170 0.000 0.000 0.292 517 I C -0.806 175.290 176.117 -0.036 0.000 1.046 517 I CA -2.644 58.618 61.300 -0.062 0.000 1.282 517 I CB 0.628 38.448 38.000 -0.301 0.000 1.409 517 I HN 0.251 nan 8.210 nan 0.000 0.484 518 P HA -0.237 nan 4.420 nan 0.000 0.216 518 P C 1.086 178.387 177.300 0.001 0.000 1.154 518 P CA 1.672 64.769 63.100 -0.006 0.000 0.865 518 P CB 0.147 31.838 31.700 -0.015 0.000 0.789 519 E N -0.813 119.358 120.200 -0.049 0.000 2.268 519 E HA -0.208 4.142 4.350 0.000 0.000 0.195 519 E C 1.678 178.332 176.600 0.091 0.000 0.995 519 E CA 1.115 57.509 56.400 -0.009 0.000 0.836 519 E CB -0.995 28.682 29.700 -0.039 0.000 0.763 519 E HN 0.361 nan 8.360 nan 0.000 0.491 520 H N 1.246 120.321 119.070 0.009 0.000 2.384 520 H HA -0.007 4.549 4.556 0.000 0.000 0.300 520 H C 2.482 177.849 175.328 0.066 0.000 1.057 520 H CA 1.545 57.586 56.048 -0.011 0.000 1.370 520 H CB -0.492 29.331 29.762 0.102 0.000 1.417 520 H HN 0.237 nan 8.280 nan 0.000 0.527 521 V N -0.091 119.974 119.914 0.252 0.000 2.407 521 V HA -0.153 3.967 4.120 0.000 0.000 0.248 521 V C 2.401 178.586 176.094 0.151 0.000 1.055 521 V CA 1.840 64.273 62.300 0.221 0.000 1.049 521 V CB -1.171 30.729 31.823 0.128 0.000 0.662 521 V HN 0.357 nan 8.190 nan 0.000 0.455 522 A N 0.648 123.523 122.820 0.092 0.000 1.883 522 A HA -0.135 4.185 4.320 0.000 0.000 0.217 522 A C 2.101 179.712 177.584 0.044 0.000 1.186 522 A CA 2.455 54.526 52.037 0.057 0.000 0.624 522 A CB -0.743 18.277 19.000 0.034 0.000 0.822 522 A HN 0.561 nan 8.150 nan 0.000 0.444 523 I N -1.775 118.794 120.570 -0.001 0.000 2.202 523 I HA -0.183 3.987 4.170 0.000 0.000 0.242 523 I C 2.219 178.320 176.117 -0.026 0.000 1.091 523 I CA 1.185 62.440 61.300 -0.075 0.000 1.368 523 I CB -0.857 37.016 38.000 -0.213 0.000 1.058 523 I HN 0.391 nan 8.210 nan 0.000 0.410 524 Y N 0.487 120.847 120.300 0.100 0.000 2.403 524 Y HA -0.211 4.339 4.550 0.000 0.000 0.291 524 Y C 2.505 178.492 175.900 0.146 0.000 1.143 524 Y CA 1.265 59.460 58.100 0.159 0.000 1.257 524 Y CB -0.614 37.937 38.460 0.152 0.000 0.984 524 Y HN 0.252 nan 8.280 nan 0.000 0.550 525 E N 0.721 121.059 120.200 0.231 0.000 2.106 525 E HA -0.169 4.181 4.350 0.000 0.000 0.192 525 E C 1.950 178.629 176.600 0.131 0.000 0.984 525 E CA 1.378 57.878 56.400 0.166 0.000 0.806 525 E CB -0.008 29.754 29.700 0.104 0.000 0.750 525 E HN 0.152 nan 8.360 nan 0.000 0.458 526 K N -0.087 120.367 120.400 0.089 0.000 1.985 526 K HA -0.008 4.312 4.320 0.000 0.000 0.210 526 K C 2.138 178.746 176.600 0.012 0.000 1.047 526 K CA 1.513 57.822 56.287 0.037 0.000 0.932 526 K CB -0.424 32.087 32.500 0.018 0.000 0.716 526 K HN 0.146 nan 8.250 nan 0.000 0.439 527 L N -0.622 120.631 121.223 0.050 0.000 2.046 527 L HA -0.214 4.126 4.340 0.000 0.000 0.208 527 L C 2.280 178.960 176.870 -0.316 0.000 1.077 527 L CA 1.348 56.178 54.840 -0.017 0.000 0.747 527 L CB -0.525 41.675 42.059 0.234 0.000 0.896 527 L HN 0.250 nan 8.230 nan 0.000 0.432 528 Y N 0.782 120.822 120.300 -0.432 0.000 2.207 528 Y HA -0.283 4.267 4.550 0.000 0.000 0.287 528 Y C 2.722 178.438 175.900 -0.305 0.000 1.156 528 Y CA 1.481 59.186 58.100 -0.657 0.000 1.182 528 Y CB -0.161 38.135 38.460 -0.274 0.000 0.979 528 Y HN 0.173 nan 8.280 nan 0.000 0.521 529 Q N 0.442 120.101 119.800 -0.235 0.000 2.170 529 Q HA -0.165 4.175 4.340 0.000 0.000 0.203 529 Q C 2.028 177.881 176.000 -0.244 0.000 0.976 529 Q CA 1.543 57.203 55.803 -0.237 0.000 0.858 529 Q CB -0.265 28.423 28.738 -0.084 0.000 0.907 529 Q HN 0.600 nan 8.270 nan 0.000 0.433 530 E N -0.410 119.663 120.200 -0.211 0.000 2.072 530 E HA -0.171 4.179 4.350 0.000 0.000 0.191 530 E C 1.881 178.372 176.600 -0.180 0.000 0.985 530 E CA 0.759 57.062 56.400 -0.162 0.000 0.801 530 E CB -0.443 29.186 29.700 -0.119 0.000 0.750 530 E HN 0.475 nan 8.360 nan 0.000 0.452 531 Y N 1.832 121.864 120.300 -0.447 0.000 2.145 531 Y HA -0.254 4.296 4.550 0.000 0.000 0.286 531 Y C 2.294 177.989 175.900 -0.340 0.000 1.145 531 Y CA 1.415 59.263 58.100 -0.421 0.000 1.148 531 Y CB -0.190 37.868 38.460 -0.670 0.000 0.981 531 Y HN -0.198 nan 8.280 nan 0.000 0.507 532 V N -0.018 119.699 119.914 -0.327 0.000 2.287 532 V HA -0.387 3.733 4.120 0.000 0.000 0.248 532 V C 2.269 178.291 176.094 -0.121 0.000 1.053 532 V CA 2.521 64.639 62.300 -0.303 0.000 1.027 532 V CB -1.351 30.229 31.823 -0.405 0.000 0.646 532 V HN 0.525 nan 8.190 nan 0.000 0.447 533 T N 0.597 115.075 114.554 -0.128 0.000 2.684 533 T HA -0.182 4.168 4.350 0.000 0.000 0.267 533 T C 1.878 176.567 174.700 -0.018 0.000 1.036 533 T CA 1.798 63.858 62.100 -0.067 0.000 1.148 533 T CB -0.364 68.444 68.868 -0.100 0.000 0.863 533 T HN 0.318 nan 8.240 nan 0.000 0.436 534 L N 0.176 121.368 121.223 -0.052 0.000 2.093 534 L HA -0.092 4.248 4.340 0.000 0.000 0.208 534 L C 2.729 179.673 176.870 0.123 0.000 1.085 534 L CA 1.264 56.135 54.840 0.051 0.000 0.755 534 L CB -0.732 41.333 42.059 0.010 0.000 0.904 534 L HN 0.434 nan 8.230 nan 0.000 0.435 535 H N 0.835 119.791 119.070 -0.190 0.000 2.319 535 H HA -0.202 4.354 4.556 0.000 0.000 0.299 535 H C 1.473 176.928 175.328 0.212 0.000 1.092 535 H CA 2.194 58.200 56.048 -0.070 0.000 1.302 535 H CB 0.129 29.745 29.762 -0.243 0.000 1.373 535 H HN 0.325 nan 8.280 nan 0.000 0.497 536 D N -0.275 120.296 120.400 0.284 0.000 2.149 536 D HA -0.127 4.513 4.640 0.000 0.000 0.201 536 D C 2.094 178.457 176.300 0.106 0.000 0.972 536 D CA 0.736 54.849 54.000 0.188 0.000 0.835 536 D CB -0.750 40.148 40.800 0.164 0.000 0.966 536 D HN 0.413 nan 8.370 nan 0.000 0.476 537 Y N 0.727 121.001 120.300 -0.044 0.000 2.070 537 Y HA -0.255 4.295 4.550 0.000 0.000 0.280 537 Y C 1.956 177.747 175.900 -0.181 0.000 1.148 537 Y CA 1.618 59.608 58.100 -0.183 0.000 1.125 537 Y CB -0.602 37.645 38.460 -0.355 0.000 0.975 537 Y HN -0.159 nan 8.280 nan 0.000 0.492 538 F N -0.483 119.463 119.950 -0.008 0.000 2.367 538 F HA 0.112 4.639 4.527 0.000 0.000 0.298 538 F C 2.465 178.272 175.800 0.012 0.000 1.094 538 F CA 1.271 59.244 58.000 -0.045 0.000 1.409 538 F CB -0.644 38.437 39.000 0.136 0.000 1.064 538 F HN 0.162 nan 8.300 nan 0.000 0.528 539 G N -0.970 107.955 108.800 0.209 0.000 2.833 539 G HA2 0.019 3.979 3.960 0.000 0.000 0.210 539 G HA3 0.019 3.979 3.960 0.000 0.000 0.210 539 G C 1.458 176.291 174.900 -0.111 0.000 1.139 539 G CA -0.208 44.867 45.100 -0.043 0.000 0.771 539 G HN 0.181 nan 8.290 nan 0.000 0.535 540 R N -0.142 120.317 120.500 -0.067 0.000 2.507 540 R HA 0.341 4.681 4.340 0.000 0.000 0.298 540 R C 1.441 177.696 176.300 -0.075 0.000 0.999 540 R CA 0.456 56.518 56.100 -0.062 0.000 1.082 540 R CB 0.582 30.873 30.300 -0.015 0.000 1.246 540 R HN 0.326 nan 8.270 nan 0.000 0.553 541 G N 0.175 108.911 108.800 -0.107 0.000 2.278 541 G HA2 -0.340 3.620 3.960 0.000 0.000 0.210 541 G HA3 -0.340 3.620 3.960 0.000 0.000 0.210 541 G C 1.049 175.853 174.900 -0.159 0.000 1.000 541 G CA 0.034 45.065 45.100 -0.114 0.000 0.635 541 G HN 0.349 nan 8.290 nan 0.000 0.495 542 A N -0.071 122.619 122.820 -0.216 0.000 1.940 542 A HA 0.190 4.510 4.320 0.000 0.000 0.219 542 A C 1.179 178.516 177.584 -0.411 0.000 1.176 542 A CA 2.301 54.172 52.037 -0.278 0.000 0.631 542 A CB -0.146 18.686 19.000 -0.279 0.000 0.814 542 A HN 1.181 nan 8.150 nan 0.000 0.446 543 N N -0.374 117.997 118.700 -0.547 0.000 2.655 543 N HA 0.147 4.887 4.740 0.000 0.000 0.277 543 N C -1.886 173.489 175.510 -0.226 0.000 1.177 543 N CA -0.459 52.327 53.050 -0.440 0.000 0.882 543 N CB 1.053 39.094 38.487 -0.743 0.000 1.481 543 N HN 0.004 nan 8.380 nan 0.000 0.547 544 D N 2.750 123.081 120.400 -0.114 0.000 2.538 544 D HA 0.009 4.649 4.640 0.000 0.000 0.234 544 D C 1.711 178.009 176.300 -0.003 0.000 1.191 544 D CA -0.010 53.961 54.000 -0.048 0.000 0.828 544 D CB 0.469 41.235 40.800 -0.057 0.000 0.981 544 D HN 0.364 nan 8.370 nan 0.000 0.490 545 V N 0.343 120.279 119.914 0.037 0.000 2.380 545 V HA -0.325 3.795 4.120 0.000 0.000 0.251 545 V C 2.014 178.128 176.094 0.034 0.000 1.063 545 V CA 1.685 64.018 62.300 0.056 0.000 1.055 545 V CB -0.199 31.700 31.823 0.126 0.000 0.657 545 V HN 0.214 nan 8.190 nan 0.000 0.455 546 M N -0.480 119.146 119.600 0.043 0.000 2.108 546 M HA -0.216 4.264 4.480 0.000 0.000 0.261 546 M C 2.318 178.600 176.300 -0.030 0.000 1.066 546 M CA 2.602 57.894 55.300 -0.014 0.000 1.107 546 M CB -0.565 32.032 32.600 -0.005 0.000 1.356 546 M HN 0.304 nan 8.290 nan 0.000 0.406 547 K N 0.494 120.878 120.400 -0.026 0.000 2.026 547 K HA -0.164 4.156 4.320 0.000 0.000 0.208 547 K C 2.031 178.612 176.600 -0.032 0.000 1.048 547 K CA 1.470 57.734 56.287 -0.039 0.000 0.929 547 K CB 0.008 32.481 32.500 -0.043 0.000 0.713 547 K HN 0.284 nan 8.250 nan 0.000 0.439 548 R N 0.120 120.606 120.500 -0.023 0.000 2.115 548 R HA -0.092 4.248 4.340 0.000 0.000 0.230 548 R C 2.325 178.614 176.300 -0.019 0.000 1.111 548 R CA 0.828 56.917 56.100 -0.019 0.000 0.976 548 R CB -0.259 30.033 30.300 -0.013 0.000 0.870 548 R HN 0.123 nan 8.270 nan 0.000 0.445 549 L N 1.454 122.664 121.223 -0.022 0.000 2.046 549 L HA -0.173 4.167 4.340 0.000 0.000 0.208 549 L C 2.097 178.946 176.870 -0.034 0.000 1.077 549 L CA 1.796 56.619 54.840 -0.029 0.000 0.747 549 L CB -0.369 41.665 42.059 -0.041 0.000 0.896 549 L HN 0.044 nan 8.230 nan 0.000 0.432 550 K N -1.001 119.374 120.400 -0.041 0.000 2.057 550 K HA -0.087 4.233 4.320 0.000 0.000 0.206 550 K C 2.117 178.702 176.600 -0.026 0.000 1.050 550 K CA 1.229 57.492 56.287 -0.041 0.000 0.935 550 K CB -0.333 32.139 32.500 -0.048 0.000 0.715 550 K HN 0.314 nan 8.250 nan 0.000 0.439 551 A N 1.916 124.722 122.820 -0.024 0.000 1.908 551 A HA -0.166 4.154 4.320 0.000 0.000 0.218 551 A C 2.144 179.722 177.584 -0.009 0.000 1.181 551 A CA 1.193 53.220 52.037 -0.017 0.000 0.627 551 A CB -0.660 18.329 19.000 -0.019 0.000 0.818 551 A HN 0.229 nan 8.150 nan 0.000 0.445 552 L N -0.606 120.611 121.223 -0.010 0.000 2.017 552 L HA -0.189 4.151 4.340 0.000 0.000 0.208 552 L C 2.673 179.545 176.870 0.005 0.000 1.073 552 L CA 2.106 56.944 54.840 -0.004 0.000 0.745 552 L CB -0.327 41.728 42.059 -0.007 0.000 0.894 552 L HN 0.509 nan 8.230 nan 0.000 0.432 553 K N -0.876 119.524 120.400 0.000 0.000 2.152 553 K HA -0.221 4.099 4.320 0.000 0.000 0.206 553 K C 2.197 178.825 176.600 0.047 0.000 1.048 553 K CA 1.662 57.956 56.287 0.012 0.000 0.933 553 K CB -0.018 32.471 32.500 -0.019 0.000 0.721 553 K HN 0.194 nan 8.250 nan 0.000 0.447 554 S N 0.579 116.296 115.700 0.029 0.000 2.356 554 S HA -0.073 4.397 4.470 0.000 0.000 0.223 554 S C 1.842 176.464 174.600 0.037 0.000 1.032 554 S CA 1.074 59.298 58.200 0.040 0.000 1.005 554 S CB -0.079 63.130 63.200 0.014 0.000 0.867 554 S HN 0.289 nan 8.310 nan 0.000 0.449 555 I N 1.370 121.951 120.570 0.019 0.000 2.546 555 I HA 0.001 4.171 4.170 0.000 0.000 0.255 555 I C 2.071 178.196 176.117 0.012 0.000 1.163 555 I CA 0.942 62.246 61.300 0.007 0.000 1.457 555 I CB -1.227 36.773 38.000 -0.000 0.000 1.092 555 I HN 0.364 nan 8.210 nan 0.000 0.434 556 Q N -0.325 119.494 119.800 0.031 0.000 2.424 556 Q HA -0.025 4.315 4.340 0.000 0.000 0.204 556 Q C 0.465 176.509 176.000 0.073 0.000 0.933 556 Q CA 0.384 56.209 55.803 0.037 0.000 0.929 556 Q CB -0.408 28.350 28.738 0.033 0.000 1.037 556 Q HN 0.518 nan 8.270 nan 0.000 0.511 557 H N 1.185 120.247 119.070 -0.014 0.000 2.594 557 H HA 0.408 4.964 4.556 0.000 0.000 0.304 557 H C -0.440 174.880 175.328 -0.014 0.000 1.068 557 H CA -0.144 55.896 56.048 -0.013 0.000 1.308 557 H CB 0.298 30.053 29.762 -0.013 0.000 1.409 557 H HN -0.111 nan 8.280 nan 0.000 0.460 558 R N 0.000 120.255 120.500 -0.409 0.000 2.786 558 R HA 0.000 4.340 4.340 0.000 0.000 0.208 558 R CA 0.000 55.899 56.100 -0.335 0.000 0.921 558 R CB 0.000 30.210 30.300 -0.150 0.000 0.687 558 R HN 0.000 nan 8.270 nan 0.000 0.535