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 1iwa_1_M DATA FIRST_RESID 6 DATA SEQUENCE TRIKNSRYES GVIPYAMGYW NPDYQVKDTD VLALFRVTPQ PGVDPIEAAA DATA SEQUENCE AVAGESSTAT WTVVWTDLLT AADLYRAKAY KVDQVPNNPE QYFAYIAYEL DATA SEQUENCE DLFEEGSIAN LTASIIGNVF GFKAVKALRL EDMRLPLAYL KTFQGPATGV DATA SEQUENCE ILERERLDKF GRPLLGCTTK PKLGLSGKNY GRVVYEALKG GLDFVKDDEN DATA SEQUENCE INSQPFMRWR ERYLFTMEAV NKASAATGEV KGHYLNVTAA TMEEMYARAN DATA SEQUENCE FAKELGSVII MIDXLVIGYT AIQTMAKWAR DNDMILHLHR AGNSTYSRQK DATA SEQUENCE NHGMNFRVIC KWMRMAGVDH IHAGTVVGKL EGDPIITRGF YKTLLLPKLE DATA SEQUENCE RNLQEGLFFD MEWASLRKVM PVASGGIHAG QMHQLIHYLG EDVVLQFGGG DATA SEQUENCE TIGHPDGIQA GATANRVALE AMILARNENR DYLTEGPEIL REAAKTCGAL DATA SEQUENCE RTALDLWKDI TFNYTSTDTS DFV 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.669 174.700 -0.051 0.000 1.109 6 T CA 0.000 62.078 62.100 -0.037 0.000 1.349 6 T CB 0.000 68.850 68.868 -0.030 0.000 0.612 7 R N 1.728 122.188 120.500 -0.067 0.000 2.517 7 R HA 0.523 4.864 4.340 0.001 0.000 0.265 7 R C 0.710 176.940 176.300 -0.118 0.000 0.921 7 R CA -0.403 55.639 56.100 -0.097 0.000 1.054 7 R CB 0.057 30.288 30.300 -0.116 0.000 1.340 7 R HN 0.847 nan 8.270 nan 0.000 0.551 8 I N 1.349 121.866 120.570 -0.088 0.000 3.205 8 I HA -0.141 4.030 4.170 0.001 0.000 0.287 8 I C 0.707 176.780 176.117 -0.073 0.000 1.266 8 I CA 0.372 61.624 61.300 -0.081 0.000 1.378 8 I CB 0.230 38.203 38.000 -0.044 0.000 1.347 8 I HN -0.064 nan 8.210 nan 0.000 0.603 9 K N 2.995 123.362 120.400 -0.054 0.000 2.109 9 K HA 0.303 4.624 4.320 0.001 0.000 0.243 9 K C -0.205 176.396 176.600 0.002 0.000 1.006 9 K CA -0.373 55.901 56.287 -0.020 0.000 0.917 9 K CB 0.625 33.138 32.500 0.022 0.000 1.081 9 K HN 0.574 nan 8.250 nan 0.000 0.468 10 N N 1.043 119.754 118.700 0.018 0.000 2.725 10 N HA 0.096 4.837 4.740 0.001 0.000 0.225 10 N C -1.698 173.826 175.510 0.024 0.000 1.465 10 N CA 0.258 53.317 53.050 0.015 0.000 0.830 10 N CB 0.024 38.513 38.487 0.003 0.000 1.460 10 N HN 0.675 nan 8.380 nan 0.000 0.538 11 S N 0.086 115.810 115.700 0.040 0.000 4.226 11 S HA 0.315 4.785 4.470 0.001 0.000 0.268 11 S C 0.987 175.594 174.600 0.011 0.000 1.036 11 S CA -0.321 57.904 58.200 0.042 0.000 1.278 11 S CB 1.421 64.672 63.200 0.085 0.000 1.727 11 S HN 0.130 nan 8.310 nan 0.000 0.608 12 R N 0.800 121.300 120.500 -0.001 0.000 2.090 12 R HA 0.196 4.537 4.340 0.001 0.000 0.228 12 R C 0.436 176.536 176.300 -0.333 0.000 1.110 12 R CA 1.513 57.489 56.100 -0.206 0.000 0.973 12 R CB -1.162 28.931 30.300 -0.345 0.000 0.869 12 R HN 0.710 nan 8.270 nan 0.000 0.440 13 Y N 1.916 122.229 120.300 0.022 0.000 2.801 13 Y HA 0.251 4.802 4.550 0.001 0.000 0.340 13 Y C -0.579 175.354 175.900 0.056 0.000 1.088 13 Y CA -0.719 57.411 58.100 0.050 0.000 1.444 13 Y CB -0.428 38.088 38.460 0.093 0.000 1.251 13 Y HN 0.203 nan 8.280 nan 0.000 0.522 14 E N -1.132 119.123 120.200 0.093 0.000 2.197 14 E HA 0.398 4.749 4.350 0.001 0.000 0.281 14 E C -0.374 176.245 176.600 0.032 0.000 0.995 14 E CA -0.798 55.641 56.400 0.064 0.000 0.808 14 E CB 1.104 30.822 29.700 0.030 0.000 1.093 14 E HN -0.004 nan 8.360 nan 0.000 0.394 15 S N 2.190 117.917 115.700 0.044 0.000 2.931 15 S HA 0.310 4.781 4.470 0.001 0.000 0.342 15 S C 0.285 174.872 174.600 -0.021 0.000 1.220 15 S CA 0.537 58.744 58.200 0.013 0.000 1.045 15 S CB -0.121 63.096 63.200 0.028 0.000 0.758 15 S HN 0.814 nan 8.310 nan 0.000 0.508 16 G N 1.709 110.471 108.800 -0.064 0.000 2.351 16 G HA2 0.276 4.237 3.960 0.001 0.000 0.296 16 G HA3 0.276 4.237 3.960 0.001 0.000 0.296 16 G C -1.192 173.646 174.900 -0.104 0.000 1.685 16 G CA -1.035 44.027 45.100 -0.062 0.000 0.936 16 G HN 0.608 nan 8.290 nan 0.000 0.714 17 V N 2.570 122.436 119.914 -0.080 0.000 2.555 17 V HA 0.622 4.743 4.120 0.001 0.000 0.286 17 V C 0.947 176.998 176.094 -0.071 0.000 1.044 17 V CA 0.138 62.387 62.300 -0.086 0.000 1.026 17 V CB 0.625 32.466 31.823 0.030 0.000 0.981 17 V HN 0.844 nan 8.190 nan 0.000 0.480 18 I N 3.217 123.717 120.570 -0.115 0.000 3.074 18 I HA 0.720 4.891 4.170 0.001 0.000 0.310 18 I C -2.706 173.326 176.117 -0.141 0.000 1.153 18 I CA -2.629 58.613 61.300 -0.098 0.000 0.993 18 I CB 2.547 40.491 38.000 -0.093 0.000 1.237 18 I HN 0.370 nan 8.210 nan 0.000 0.443 19 P HA 0.109 nan 4.420 nan 0.000 0.271 19 P C -0.214 177.070 177.300 -0.027 0.000 1.216 19 P CA 0.159 63.226 63.100 -0.056 0.000 0.776 19 P CB 0.623 32.334 31.700 0.018 0.000 0.881 20 Y N 1.729 122.085 120.300 0.094 0.000 2.256 20 Y HA -0.134 4.417 4.550 0.001 0.000 0.288 20 Y C 2.528 178.557 175.900 0.216 0.000 1.155 20 Y CA 1.719 59.913 58.100 0.157 0.000 1.203 20 Y CB -1.275 37.198 38.460 0.023 0.000 0.980 20 Y HN 0.419 nan 8.280 nan 0.000 0.530 21 A N 0.191 123.177 122.820 0.277 0.000 2.150 21 A HA -0.048 4.273 4.320 0.001 0.000 0.220 21 A C 1.518 179.237 177.584 0.225 0.000 1.356 21 A CA 0.429 52.617 52.037 0.252 0.000 1.145 21 A CB -1.571 17.493 19.000 0.108 0.000 0.826 21 A HN 0.600 nan 8.150 nan 0.000 0.524 22 M N -2.459 117.176 119.600 0.057 0.000 2.679 22 M HA -0.375 4.106 4.480 0.001 0.000 0.134 22 M C 1.297 177.447 176.300 -0.250 0.000 0.700 22 M CA 1.520 56.802 55.300 -0.030 0.000 0.429 22 M CB -1.395 31.314 32.600 0.181 0.000 1.602 22 M HN 1.301 nan 8.290 nan 0.000 0.435 23 G N -2.058 106.628 108.800 -0.190 0.000 2.148 23 G HA2 -0.254 3.706 3.960 0.001 0.000 0.203 23 G HA3 -0.254 3.706 3.960 0.001 0.000 0.203 23 G C -0.022 174.649 174.900 -0.382 0.000 0.993 23 G CA 0.075 44.996 45.100 -0.298 0.000 0.661 23 G HN 0.540 nan 8.290 nan 0.000 0.518 24 Y N -0.739 119.616 120.300 0.091 0.000 2.457 24 Y HA 0.381 4.932 4.550 0.001 0.000 0.263 24 Y C 1.176 177.189 175.900 0.188 0.000 1.164 24 Y CA -0.399 57.753 58.100 0.088 0.000 1.274 24 Y CB 0.457 38.972 38.460 0.091 0.000 1.097 24 Y HN 0.470 nan 8.280 nan 0.000 0.523 25 W N 1.974 123.323 121.300 0.081 0.000 2.463 25 W HA 0.372 5.033 4.660 0.001 0.000 0.316 25 W C -1.293 175.260 176.519 0.057 0.000 1.004 25 W CA -0.781 56.606 57.345 0.070 0.000 1.309 25 W CB 1.109 30.610 29.460 0.069 0.000 1.288 25 W HN -0.178 nan 8.180 nan 0.000 0.423 26 N N 8.392 126.784 118.700 -0.513 0.000 2.716 26 N HA 0.201 4.942 4.740 0.001 0.000 0.253 26 N C -1.597 173.554 175.510 -0.598 0.000 1.170 26 N CA -1.830 50.906 53.050 -0.523 0.000 0.807 26 N CB 1.580 39.970 38.487 -0.162 0.000 1.183 26 N HN 0.190 nan 8.380 nan 0.000 0.524 27 P HA -0.007 nan 4.420 nan 0.000 0.231 27 P C -0.227 176.962 177.300 -0.185 0.000 1.158 27 P CA 0.909 63.659 63.100 -0.582 0.000 0.763 27 P CB 0.580 31.987 31.700 -0.489 0.000 0.805 28 D N -2.246 118.056 120.400 -0.163 0.000 2.398 28 D HA 0.030 4.671 4.640 0.001 0.000 0.210 28 D C 0.403 176.674 176.300 -0.047 0.000 1.094 28 D CA -0.479 53.474 54.000 -0.078 0.000 0.839 28 D CB -0.674 40.076 40.800 -0.083 0.000 0.963 28 D HN 0.142 nan 8.370 nan 0.000 0.506 29 Y N 2.420 122.637 120.300 -0.139 0.000 2.717 29 Y HA -0.023 4.528 4.550 0.001 0.000 0.330 29 Y C 0.251 176.049 175.900 -0.171 0.000 1.217 29 Y CA 0.275 58.287 58.100 -0.147 0.000 1.506 29 Y CB 0.435 38.806 38.460 -0.149 0.000 1.268 29 Y HN -0.178 nan 8.280 nan 0.000 0.561 30 Q N 6.173 125.441 119.800 -0.887 0.000 2.398 30 Q HA 0.262 4.603 4.340 0.001 0.000 0.251 30 Q C -0.583 174.832 176.000 -0.975 0.000 0.999 30 Q CA -0.557 54.838 55.803 -0.679 0.000 0.874 30 Q CB 1.173 29.657 28.738 -0.424 0.000 1.215 30 Q HN 0.567 nan 8.270 nan 0.000 0.470 31 V N 3.416 122.952 119.914 -0.631 0.000 2.694 31 V HA -0.069 4.051 4.120 0.001 0.000 0.306 31 V C 0.708 176.665 176.094 -0.228 0.000 1.054 31 V CA 0.531 62.621 62.300 -0.349 0.000 1.161 31 V CB 0.104 31.782 31.823 -0.242 0.000 0.916 31 V HN 0.537 nan 8.190 nan 0.000 0.490 32 K N 3.004 123.340 120.400 -0.106 0.000 2.123 32 K HA 0.358 4.679 4.320 0.001 0.000 0.248 32 K C 0.159 176.746 176.600 -0.022 0.000 0.969 32 K CA -0.840 55.409 56.287 -0.063 0.000 0.882 32 K CB 0.949 33.438 32.500 -0.019 0.000 1.080 32 K HN 0.463 nan 8.250 nan 0.000 0.441 33 D N 0.671 121.061 120.400 -0.018 0.000 2.371 33 D HA -0.085 4.556 4.640 0.001 0.000 0.221 33 D C 1.220 177.526 176.300 0.011 0.000 0.986 33 D CA 1.121 55.117 54.000 -0.006 0.000 0.899 33 D CB 0.066 40.862 40.800 -0.005 0.000 0.902 33 D HN 0.663 nan 8.370 nan 0.000 0.530 34 T N -3.052 111.517 114.554 0.025 0.000 3.069 34 T HA 0.060 4.411 4.350 0.001 0.000 0.252 34 T C 0.546 175.282 174.700 0.061 0.000 1.053 34 T CA -0.516 61.614 62.100 0.049 0.000 0.964 34 T CB 0.558 69.461 68.868 0.059 0.000 1.005 34 T HN -0.224 nan 8.240 nan 0.000 0.532 35 D N 1.739 122.176 120.400 0.061 0.000 2.339 35 D HA 0.335 4.976 4.640 0.001 0.000 0.245 35 D C -0.356 175.972 176.300 0.046 0.000 1.115 35 D CA -0.280 53.779 54.000 0.098 0.000 0.917 35 D CB 1.801 42.678 40.800 0.128 0.000 1.192 35 D HN 0.036 nan 8.370 nan 0.000 0.428 36 V N 2.997 122.967 119.914 0.093 0.000 2.383 36 V HA 0.253 4.374 4.120 0.001 0.000 0.275 36 V C 0.338 176.488 176.094 0.094 0.000 1.036 36 V CA -0.532 61.742 62.300 -0.043 0.000 0.889 36 V CB 0.834 32.501 31.823 -0.261 0.000 0.985 36 V HN 0.254 nan 8.190 nan 0.000 0.459 37 L N 4.485 125.641 121.223 -0.111 0.000 2.331 37 L HA 0.921 5.261 4.340 0.001 0.000 0.275 37 L C 0.122 176.887 176.870 -0.174 0.000 1.022 37 L CA -0.503 54.276 54.840 -0.101 0.000 0.812 37 L CB 1.807 43.604 42.059 -0.437 0.000 1.257 37 L HN 0.687 nan 8.230 nan 0.000 0.435 38 A N 2.908 125.825 122.820 0.163 0.000 2.422 38 A HA 0.746 5.066 4.320 0.001 0.000 0.302 38 A C -1.531 176.133 177.584 0.135 0.000 1.041 38 A CA -0.436 51.656 52.037 0.091 0.000 0.708 38 A CB 1.783 20.820 19.000 0.062 0.000 1.257 38 A HN 0.594 nan 8.150 nan 0.000 0.414 39 L N 2.265 123.424 121.223 -0.107 0.000 2.298 39 L HA 0.815 5.156 4.340 0.001 0.000 0.284 39 L C -1.714 174.860 176.870 -0.494 0.000 1.013 39 L CA -0.188 54.388 54.840 -0.439 0.000 0.824 39 L CB 0.520 41.998 42.059 -0.967 0.000 1.221 39 L HN 0.582 nan 8.230 nan 0.000 0.418 40 F N 3.587 123.439 119.950 -0.164 0.000 2.458 40 F HA 0.558 5.086 4.527 0.002 0.000 0.330 40 F C 0.336 176.140 175.800 0.007 0.000 1.082 40 F CA -0.594 57.359 58.000 -0.079 0.000 0.995 40 F CB 1.504 40.453 39.000 -0.085 0.000 1.170 40 F HN 0.363 nan 8.300 nan 0.000 0.478 41 R N 2.800 123.455 120.500 0.258 0.000 2.233 41 R HA 0.553 4.894 4.340 0.001 0.000 0.334 41 R C -1.758 174.597 176.300 0.092 0.000 1.037 41 R CA -0.285 55.921 56.100 0.176 0.000 0.920 41 R CB 0.464 30.873 30.300 0.182 0.000 1.137 41 R HN 0.542 nan 8.270 nan 0.000 0.492 42 V N 3.666 123.620 119.914 0.066 0.000 2.439 42 V HA 0.282 4.403 4.120 0.001 0.000 0.282 42 V C 0.177 176.313 176.094 0.071 0.000 1.039 42 V CA -0.350 61.969 62.300 0.031 0.000 0.913 42 V CB 1.787 33.608 31.823 -0.004 0.000 0.983 42 V HN 0.694 nan 8.190 nan 0.000 0.460 43 T N 7.030 121.618 114.554 0.056 0.000 3.155 43 T HA 0.323 4.673 4.350 0.001 0.000 0.384 43 T C -2.544 172.194 174.700 0.063 0.000 1.351 43 T CA -0.960 61.184 62.100 0.074 0.000 1.198 43 T CB 1.137 70.041 68.868 0.060 0.000 1.106 43 T HN 0.518 nan 8.240 nan 0.000 0.564 44 P HA 0.120 nan 4.420 nan 0.000 0.272 44 P C -0.243 177.076 177.300 0.031 0.000 1.223 44 P CA -0.551 62.565 63.100 0.026 0.000 0.784 44 P CB 0.818 32.507 31.700 -0.019 0.000 0.923 45 Q N 2.309 122.121 119.800 0.020 0.000 2.361 45 Q HA 0.119 4.460 4.340 0.001 0.000 0.276 45 Q C -1.707 174.298 176.000 0.009 0.000 1.022 45 Q CA -1.147 54.663 55.803 0.011 0.000 0.898 45 Q CB -0.513 28.224 28.738 -0.001 0.000 1.246 45 Q HN 0.419 nan 8.270 nan 0.000 0.410 46 P HA -0.096 nan 4.420 nan 0.000 0.264 46 P C 0.564 177.865 177.300 0.001 0.000 1.183 46 P CA 1.039 64.144 63.100 0.008 0.000 0.763 46 P CB 0.486 32.189 31.700 0.006 0.000 0.807 47 G N 1.360 110.159 108.800 -0.001 0.000 2.241 47 G HA2 -0.210 3.751 3.960 0.001 0.000 0.244 47 G HA3 -0.210 3.751 3.960 0.001 0.000 0.244 47 G C -0.045 174.847 174.900 -0.013 0.000 0.998 47 G CA -0.016 45.080 45.100 -0.007 0.000 0.621 47 G HN 0.571 nan 8.290 nan 0.000 0.519 48 V N 1.943 121.849 119.914 -0.015 0.000 2.465 48 V HA 0.450 4.571 4.120 0.001 0.000 0.279 48 V C 0.447 176.506 176.094 -0.059 0.000 1.045 48 V CA -0.552 61.735 62.300 -0.022 0.000 0.938 48 V CB 1.650 33.469 31.823 -0.006 0.000 0.986 48 V HN 0.355 nan 8.190 nan 0.000 0.467 49 D N 8.061 128.417 120.400 -0.074 0.000 2.434 49 D HA 0.071 4.712 4.640 0.001 0.000 0.252 49 D C -0.959 175.213 176.300 -0.214 0.000 1.185 49 D CA -1.570 52.350 54.000 -0.133 0.000 0.886 49 D CB 1.532 42.261 40.800 -0.119 0.000 1.148 49 D HN 0.260 nan 8.370 nan 0.000 0.483 50 P HA -0.197 nan 4.420 nan 0.000 0.216 50 P C 1.816 178.847 177.300 -0.449 0.000 1.153 50 P CA 1.120 63.913 63.100 -0.513 0.000 0.858 50 P CB 0.298 31.396 31.700 -1.003 0.000 0.789 51 I N -0.222 120.060 120.570 -0.481 0.000 2.226 51 I HA -0.219 3.952 4.170 0.001 0.000 0.245 51 I C 2.738 178.597 176.117 -0.430 0.000 1.100 51 I CA 1.572 62.491 61.300 -0.636 0.000 1.374 51 I CB -0.649 36.820 38.000 -0.886 0.000 1.057 51 I HN 0.003 nan 8.210 nan 0.000 0.413 52 E N 1.659 121.698 120.200 -0.267 0.000 2.077 52 E HA -0.211 4.140 4.350 0.001 0.000 0.193 52 E C 2.069 178.616 176.600 -0.089 0.000 0.989 52 E CA 1.771 58.109 56.400 -0.104 0.000 0.800 52 E CB -0.157 29.523 29.700 -0.033 0.000 0.746 52 E HN 0.409 nan 8.360 nan 0.000 0.452 53 A N 0.995 123.733 122.820 -0.138 0.000 1.858 53 A HA -0.063 4.258 4.320 0.001 0.000 0.216 53 A C 2.519 179.978 177.584 -0.208 0.000 1.190 53 A CA 2.385 54.341 52.037 -0.136 0.000 0.617 53 A CB -1.276 17.644 19.000 -0.133 0.000 0.827 53 A HN 0.419 nan 8.150 nan 0.000 0.443 54 A N -0.274 122.417 122.820 -0.215 0.000 1.940 54 A HA 0.100 4.420 4.320 0.001 0.000 0.219 54 A C 2.482 179.976 177.584 -0.151 0.000 1.176 54 A CA 2.328 54.261 52.037 -0.175 0.000 0.631 54 A CB -0.975 17.939 19.000 -0.144 0.000 0.814 54 A HN 1.111 nan 8.150 nan 0.000 0.446 55 A N -0.401 122.349 122.820 -0.117 0.000 1.929 55 A HA 0.255 4.576 4.320 0.001 0.000 0.216 55 A C 2.464 179.874 177.584 -0.291 0.000 1.176 55 A CA 1.768 53.792 52.037 -0.021 0.000 0.628 55 A CB -0.892 18.193 19.000 0.141 0.000 0.816 55 A HN 1.044 nan 8.150 nan 0.000 0.444 56 A N -0.456 122.095 122.820 -0.448 0.000 1.972 56 A HA 0.034 4.355 4.320 0.001 0.000 0.219 56 A C 2.185 179.139 177.584 -1.050 0.000 1.169 56 A CA 1.730 53.113 52.037 -1.091 0.000 0.635 56 A CB -0.747 17.817 19.000 -0.728 0.000 0.810 56 A HN 0.355 nan 8.150 nan 0.000 0.446 57 V N -0.254 119.252 119.914 -0.680 0.000 2.307 57 V HA -0.199 3.921 4.120 0.001 0.000 0.245 57 V C 3.052 178.853 176.094 -0.489 0.000 1.045 57 V CA 1.830 63.745 62.300 -0.642 0.000 1.024 57 V CB -1.285 30.150 31.823 -0.646 0.000 0.651 57 V HN 0.591 nan 8.190 nan 0.000 0.449 58 A N 0.595 123.204 122.820 -0.351 0.000 1.902 58 A HA -0.094 4.227 4.320 0.001 0.000 0.217 58 A C 2.374 179.733 177.584 -0.375 0.000 1.181 58 A CA 2.103 54.005 52.037 -0.224 0.000 0.623 58 A CB -1.263 17.700 19.000 -0.062 0.000 0.818 58 A HN 0.521 nan 8.150 nan 0.000 0.443 59 G N -0.690 107.645 108.800 -0.776 0.000 2.484 59 G HA2 -0.182 3.778 3.960 0.001 0.000 0.215 59 G HA3 -0.182 3.778 3.960 0.001 0.000 0.215 59 G C 1.304 175.763 174.900 -0.735 0.000 1.219 59 G CA 0.838 45.115 45.100 -1.371 0.000 0.791 59 G HN 0.409 nan 8.290 nan 0.000 0.550 60 E N 0.931 120.687 120.200 -0.740 0.000 2.396 60 E HA -0.092 4.259 4.350 0.001 0.000 0.200 60 E C 2.498 178.962 176.600 -0.228 0.000 1.023 60 E CA 1.099 57.232 56.400 -0.446 0.000 0.857 60 E CB -0.123 29.207 29.700 -0.616 0.000 0.775 60 E HN 0.551 nan 8.360 nan 0.000 0.525 61 S N -1.305 114.286 115.700 -0.182 0.000 2.582 61 S HA 0.171 4.642 4.470 0.001 0.000 0.234 61 S C 1.242 175.933 174.600 0.151 0.000 0.961 61 S CA 0.311 58.528 58.200 0.028 0.000 0.953 61 S CB 0.304 63.583 63.200 0.132 0.000 0.800 61 S HN 0.131 nan 8.310 nan 0.000 0.471 62 S N 1.055 116.787 115.700 0.054 0.000 4.098 62 S HA 0.200 4.671 4.470 0.001 0.000 0.193 62 S C 1.306 175.938 174.600 0.052 0.000 1.049 62 S CA 0.574 58.834 58.200 0.099 0.000 1.034 62 S CB -0.078 63.203 63.200 0.135 0.000 1.380 62 S HN 0.639 nan 8.310 nan 0.000 0.629 63 T N -0.791 113.818 114.554 0.091 0.000 3.092 63 T HA 0.612 4.963 4.350 0.001 0.000 0.273 63 T C 0.675 175.455 174.700 0.133 0.000 0.898 63 T CA 0.518 62.683 62.100 0.109 0.000 0.868 63 T CB -0.117 68.851 68.868 0.167 0.000 1.228 63 T HN 0.747 nan 8.240 nan 0.000 0.555 64 A N 1.254 124.137 122.820 0.106 0.000 2.387 64 A HA 0.661 4.982 4.320 0.001 0.000 0.251 64 A C 0.435 178.084 177.584 0.109 0.000 1.113 64 A CA 0.322 52.427 52.037 0.112 0.000 0.794 64 A CB 0.091 18.964 19.000 -0.213 0.000 1.069 64 A HN 0.629 nan 8.150 nan 0.000 0.506 65 T N -1.232 113.426 114.554 0.174 0.000 2.830 65 T HA 0.381 4.731 4.350 0.001 0.000 0.322 65 T C 0.486 175.278 174.700 0.154 0.000 1.501 65 T CA 0.066 62.273 62.100 0.178 0.000 1.036 65 T CB 0.405 69.306 68.868 0.056 0.000 1.379 65 T HN 1.167 nan 8.240 nan 0.000 0.493 66 W N 2.657 124.058 121.300 0.168 0.000 2.389 66 W HA 0.139 4.799 4.660 0.001 0.000 0.267 66 W C 0.202 176.704 176.519 -0.028 0.000 1.219 66 W CA 1.038 58.440 57.345 0.095 0.000 1.189 66 W CB -1.113 28.427 29.460 0.134 0.000 1.129 66 W HN 0.645 nan 8.180 nan 0.000 0.581 67 T N 0.236 114.271 114.554 -0.866 0.000 2.883 67 T HA 0.445 4.796 4.350 0.001 0.000 0.296 67 T C -0.565 173.860 174.700 -0.457 0.000 1.117 67 T CA -0.560 61.035 62.100 -0.841 0.000 1.006 67 T CB 1.976 69.935 68.868 -1.515 0.000 1.191 67 T HN -0.214 nan 8.240 nan 0.000 0.508 68 V N 3.315 123.049 119.914 -0.300 0.000 2.715 68 V HA 0.497 4.618 4.120 0.001 0.000 0.299 68 V C 0.207 176.249 176.094 -0.087 0.000 1.054 68 V CA -0.192 62.017 62.300 -0.151 0.000 1.077 68 V CB 1.031 32.787 31.823 -0.112 0.000 0.972 68 V HN 0.741 nan 8.190 nan 0.000 0.484 69 V N 2.788 122.701 119.914 -0.001 0.000 2.577 69 V HA 0.407 4.528 4.120 0.001 0.000 0.303 69 V C 0.592 176.751 176.094 0.108 0.000 1.042 69 V CA -0.893 61.406 62.300 -0.003 0.000 0.872 69 V CB 1.589 33.342 31.823 -0.117 0.000 0.998 69 V HN 1.019 nan 8.190 nan 0.000 0.423 70 W N 3.058 124.410 121.300 0.087 0.000 2.374 70 W HA -0.125 4.535 4.660 0.001 0.000 0.288 70 W C 1.499 178.006 176.519 -0.019 0.000 1.218 70 W CA 1.729 59.114 57.345 0.066 0.000 1.245 70 W CB -1.645 27.829 29.460 0.024 0.000 1.126 70 W HN 0.776 nan 8.180 nan 0.000 0.545 71 T N -0.661 113.353 114.554 -0.901 0.000 2.918 71 T HA -0.278 4.073 4.350 0.001 0.000 0.271 71 T C 1.008 175.519 174.700 -0.315 0.000 1.104 71 T CA 1.897 63.465 62.100 -0.887 0.000 1.114 71 T CB -0.705 67.615 68.868 -0.912 0.000 0.855 71 T HN -0.032 nan 8.240 nan 0.000 0.518 72 D N 1.169 121.477 120.400 -0.154 0.000 2.149 72 D HA -0.031 4.609 4.640 0.001 0.000 0.198 72 D C 1.737 177.966 176.300 -0.118 0.000 0.990 72 D CA 0.484 54.460 54.000 -0.039 0.000 0.839 72 D CB -0.473 40.426 40.800 0.165 0.000 0.948 72 D HN 0.230 nan 8.370 nan 0.000 0.460 73 L N 0.123 121.203 121.223 -0.237 0.000 2.349 73 L HA -0.094 4.246 4.340 0.001 0.000 0.220 73 L C 1.760 178.579 176.870 -0.086 0.000 1.130 73 L CA 1.105 55.796 54.840 -0.249 0.000 0.791 73 L CB -0.530 41.401 42.059 -0.213 0.000 0.918 73 L HN 0.185 nan 8.230 nan 0.000 0.444 74 L N -1.630 119.563 121.223 -0.049 0.000 2.592 74 L HA 0.088 4.428 4.340 0.001 0.000 0.227 74 L C 0.818 177.688 176.870 0.000 0.000 1.127 74 L CA 0.153 54.986 54.840 -0.012 0.000 0.884 74 L CB -0.606 41.440 42.059 -0.022 0.000 1.065 74 L HN 0.347 nan 8.230 nan 0.000 0.457 75 T N -4.227 110.331 114.554 0.007 0.000 2.887 75 T HA 0.624 4.975 4.350 0.001 0.000 0.292 75 T C -0.050 174.650 174.700 0.000 0.000 1.087 75 T CA -0.487 61.663 62.100 0.083 0.000 1.009 75 T CB 2.294 71.291 68.868 0.215 0.000 1.203 75 T HN -0.066 nan 8.240 nan 0.000 0.518 76 A N 0.746 123.505 122.820 -0.102 0.000 3.077 76 A HA 0.649 4.970 4.320 0.001 0.000 0.255 76 A C 1.822 179.147 177.584 -0.431 0.000 1.728 76 A CA 0.060 51.905 52.037 -0.320 0.000 1.383 76 A CB -1.484 17.238 19.000 -0.463 0.000 1.097 76 A HN 1.277 nan 8.150 nan 0.000 0.634 77 A N 0.906 123.650 122.820 -0.127 0.000 1.917 77 A HA -0.228 4.093 4.320 0.001 0.000 0.219 77 A C 1.531 179.066 177.584 -0.082 0.000 1.182 77 A CA 2.134 54.163 52.037 -0.014 0.000 0.633 77 A CB -0.559 18.487 19.000 0.076 0.000 0.819 77 A HN 0.609 nan 8.150 nan 0.000 0.448 78 D N -0.708 119.632 120.400 -0.102 0.000 2.315 78 D HA -0.131 4.509 4.640 0.001 0.000 0.211 78 D C 1.489 177.715 176.300 -0.123 0.000 0.977 78 D CA 0.949 54.889 54.000 -0.099 0.000 0.894 78 D CB -0.007 40.748 40.800 -0.075 0.000 0.910 78 D HN 0.395 nan 8.370 nan 0.000 0.490 79 L N -1.028 120.068 121.223 -0.211 0.000 2.575 79 L HA 0.063 4.404 4.340 0.001 0.000 0.228 79 L C 0.712 177.515 176.870 -0.111 0.000 1.075 79 L CA 0.734 55.452 54.840 -0.202 0.000 0.867 79 L CB -0.147 41.726 42.059 -0.309 0.000 1.097 79 L HN -0.013 nan 8.230 nan 0.000 0.485 80 Y N 0.913 121.198 120.300 -0.026 0.000 2.490 80 Y HA 0.203 4.754 4.550 0.001 0.000 0.285 80 Y C 1.193 177.084 175.900 -0.015 0.000 1.117 80 Y CA -0.343 57.740 58.100 -0.028 0.000 1.262 80 Y CB -0.267 38.178 38.460 -0.026 0.000 1.043 80 Y HN 0.008 nan 8.280 nan 0.000 0.553 81 R N 1.067 121.634 120.500 0.113 0.000 2.401 81 R HA 0.398 4.738 4.340 0.001 0.000 0.299 81 R C 0.297 176.608 176.300 0.017 0.000 1.064 81 R CA -0.086 56.070 56.100 0.093 0.000 1.000 81 R CB 0.540 30.741 30.300 -0.165 0.000 0.973 81 R HN 0.096 nan 8.270 nan 0.000 0.438 82 A N 4.066 126.930 122.820 0.073 0.000 2.366 82 A HA 0.260 4.580 4.320 0.001 0.000 0.249 82 A C -0.302 177.221 177.584 -0.102 0.000 1.084 82 A CA -0.313 51.612 52.037 -0.188 0.000 0.794 82 A CB 0.487 19.186 19.000 -0.501 0.000 1.034 82 A HN 0.659 nan 8.150 nan 0.000 0.491 83 K N 0.910 121.154 120.400 -0.260 0.000 2.507 83 K HA 0.628 4.949 4.320 0.001 0.000 0.251 83 K C -0.910 175.710 176.600 0.033 0.000 0.943 83 K CA -0.324 55.883 56.287 -0.132 0.000 0.794 83 K CB 1.671 33.981 32.500 -0.317 0.000 1.188 83 K HN 0.726 nan 8.250 nan 0.000 0.428 84 A N 3.166 126.107 122.820 0.203 0.000 2.404 84 A HA 0.344 4.665 4.320 0.001 0.000 0.273 84 A C -0.049 177.778 177.584 0.406 0.000 1.144 84 A CA -0.414 51.826 52.037 0.338 0.000 0.806 84 A CB -0.442 18.793 19.000 0.392 0.000 1.080 84 A HN 0.828 nan 8.150 nan 0.000 0.509 85 Y N 0.733 121.169 120.300 0.226 0.000 2.481 85 Y HA 0.550 5.101 4.550 0.001 0.000 0.247 85 Y C 0.252 176.263 175.900 0.185 0.000 1.151 85 Y CA -0.473 57.674 58.100 0.078 0.000 1.238 85 Y CB 0.118 38.653 38.460 0.126 0.000 1.179 85 Y HN 0.502 nan 8.280 nan 0.000 0.524 86 K N 0.847 121.298 120.400 0.086 0.000 2.557 86 K HA 0.641 4.962 4.320 0.001 0.000 0.257 86 K C -2.357 174.435 176.600 0.321 0.000 0.933 86 K CA -0.714 55.679 56.287 0.177 0.000 0.820 86 K CB 2.572 34.984 32.500 -0.146 0.000 1.330 86 K HN -0.076 nan 8.250 nan 0.000 0.432 87 V N 3.269 123.377 119.914 0.324 0.000 2.612 87 V HA 0.422 4.543 4.120 0.001 0.000 0.301 87 V C -1.383 174.876 176.094 0.274 0.000 1.059 87 V CA -0.862 61.585 62.300 0.245 0.000 0.886 87 V CB 1.957 33.798 31.823 0.030 0.000 1.007 87 V HN 0.797 nan 8.190 nan 0.000 0.426 88 D N 2.104 122.717 120.400 0.355 0.000 2.601 88 D HA 0.350 4.990 4.640 0.001 0.000 0.230 88 D C -0.631 175.861 176.300 0.320 0.000 1.106 88 D CA -0.509 53.700 54.000 0.348 0.000 0.873 88 D CB 2.432 43.450 40.800 0.364 0.000 1.515 88 D HN 0.545 nan 8.370 nan 0.000 0.468 89 Q N 0.743 120.648 119.800 0.175 0.000 2.327 89 Q HA 0.306 4.647 4.340 0.001 0.000 0.254 89 Q C -0.603 175.260 176.000 -0.229 0.000 0.952 89 Q CA -0.571 55.088 55.803 -0.239 0.000 0.884 89 Q CB 1.107 29.687 28.738 -0.264 0.000 1.224 89 Q HN 0.225 nan 8.270 nan 0.000 0.422 90 V N 7.327 126.943 119.914 -0.495 0.000 2.585 90 V HA -0.039 4.082 4.120 0.001 0.000 0.296 90 V C -1.486 174.442 176.094 -0.276 0.000 1.035 90 V CA -0.794 61.218 62.300 -0.481 0.000 1.084 90 V CB 0.634 32.059 31.823 -0.664 0.000 0.953 90 V HN 0.897 nan 8.190 nan 0.000 0.483 91 P HA -0.244 nan 4.420 nan 0.000 0.227 91 P C 0.552 177.755 177.300 -0.162 0.000 1.141 91 P CA 2.088 65.067 63.100 -0.202 0.000 0.964 91 P CB 0.012 31.480 31.700 -0.387 0.000 0.784 92 N N -2.635 115.961 118.700 -0.173 0.000 2.497 92 N HA 0.114 4.855 4.740 0.001 0.000 0.284 92 N C -0.395 175.037 175.510 -0.130 0.000 1.459 92 N CA -0.137 52.837 53.050 -0.128 0.000 0.899 92 N CB 0.071 38.498 38.487 -0.100 0.000 1.316 92 N HN 0.003 nan 8.380 nan 0.000 0.500 93 N N 1.125 119.719 118.700 -0.176 0.000 2.732 93 N HA 0.129 4.870 4.740 0.001 0.000 0.247 93 N C -2.422 172.940 175.510 -0.246 0.000 1.305 93 N CA -1.498 51.446 53.050 -0.177 0.000 0.762 93 N CB 1.347 39.729 38.487 -0.176 0.000 1.361 93 N HN -0.022 nan 8.380 nan 0.000 0.545 94 P HA -0.057 nan 4.420 nan 0.000 0.234 94 P C 0.264 177.428 177.300 -0.226 0.000 1.162 94 P CA 0.948 63.915 63.100 -0.221 0.000 0.759 94 P CB 0.461 32.101 31.700 -0.100 0.000 0.813 95 E N -0.816 119.264 120.200 -0.201 0.000 2.415 95 E HA 0.056 4.407 4.350 0.001 0.000 0.197 95 E C 0.627 177.148 176.600 -0.131 0.000 1.007 95 E CA 0.149 56.491 56.400 -0.097 0.000 0.890 95 E CB 0.284 29.956 29.700 -0.048 0.000 0.891 95 E HN 0.484 nan 8.360 nan 0.000 0.496 96 Q N -0.032 119.565 119.800 -0.337 0.000 2.306 96 Q HA 0.474 4.815 4.340 0.001 0.000 0.265 96 Q C -1.348 174.263 176.000 -0.647 0.000 1.022 96 Q CA -0.551 55.057 55.803 -0.325 0.000 0.853 96 Q CB 1.791 30.350 28.738 -0.298 0.000 1.327 96 Q HN 0.019 nan 8.270 nan 0.000 0.449 97 Y N 0.193 120.344 120.300 -0.248 0.000 2.492 97 Y HA 0.427 4.978 4.550 0.001 0.000 0.346 97 Y C -1.022 174.762 175.900 -0.194 0.000 0.997 97 Y CA -0.909 57.060 58.100 -0.219 0.000 1.025 97 Y CB 1.297 39.701 38.460 -0.094 0.000 1.263 97 Y HN 0.502 nan 8.280 nan 0.000 0.454 98 F N 2.218 122.259 119.950 0.152 0.000 2.391 98 F HA 0.666 5.194 4.527 0.001 0.000 0.359 98 F C 0.293 176.119 175.800 0.045 0.000 1.122 98 F CA -1.119 56.888 58.000 0.011 0.000 1.120 98 F CB 0.884 39.880 39.000 -0.008 0.000 1.142 98 F HN 0.498 nan 8.300 nan 0.000 0.483 99 A N 4.376 127.303 122.820 0.179 0.000 2.318 99 A HA 0.691 5.012 4.320 0.001 0.000 0.317 99 A C -1.654 175.976 177.584 0.076 0.000 1.159 99 A CA -0.539 51.599 52.037 0.168 0.000 0.799 99 A CB 0.294 19.377 19.000 0.138 0.000 1.194 99 A HN 0.565 nan 8.150 nan 0.000 0.479 100 Y N 1.872 122.148 120.300 -0.039 0.000 2.326 100 Y HA 0.588 5.139 4.550 0.001 0.000 0.337 100 Y C 0.232 176.093 175.900 -0.065 0.000 1.023 100 Y CA -0.241 57.783 58.100 -0.126 0.000 1.143 100 Y CB 1.166 39.289 38.460 -0.561 0.000 1.183 100 Y HN 0.481 nan 8.280 nan 0.000 0.485 101 I N 2.669 123.486 120.570 0.412 0.000 2.608 101 I HA 0.712 4.883 4.170 0.001 0.000 0.295 101 I C -0.569 175.796 176.117 0.414 0.000 1.049 101 I CA -1.187 60.343 61.300 0.384 0.000 1.063 101 I CB 2.044 40.215 38.000 0.286 0.000 1.248 101 I HN 0.629 nan 8.210 nan 0.000 0.424 102 A N 5.382 128.287 122.820 0.141 0.000 2.330 102 A HA 0.811 5.132 4.320 0.001 0.000 0.327 102 A C -1.609 175.834 177.584 -0.235 0.000 1.155 102 A CA -0.291 51.758 52.037 0.020 0.000 0.803 102 A CB 0.576 19.488 19.000 -0.147 0.000 1.208 102 A HN 0.568 nan 8.150 nan 0.000 0.477 103 Y N 0.493 120.862 120.300 0.116 0.000 2.376 103 Y HA 0.475 5.026 4.550 0.001 0.000 0.340 103 Y C 0.340 176.342 175.900 0.169 0.000 0.965 103 Y CA -0.903 57.293 58.100 0.161 0.000 1.078 103 Y CB 1.656 40.327 38.460 0.352 0.000 1.193 103 Y HN 0.837 nan 8.280 nan 0.000 0.452 104 E N 2.715 123.052 120.200 0.228 0.000 2.392 104 E HA 0.039 4.390 4.350 0.001 0.000 0.264 104 E C 0.620 177.349 176.600 0.214 0.000 1.024 104 E CA 0.065 56.576 56.400 0.185 0.000 0.903 104 E CB 0.785 30.574 29.700 0.150 0.000 0.963 104 E HN 0.843 nan 8.360 nan 0.000 0.432 105 L N 3.323 124.657 121.223 0.185 0.000 2.043 105 L HA -0.218 4.122 4.340 0.001 0.000 0.212 105 L C 0.732 177.693 176.870 0.152 0.000 1.075 105 L CA 1.900 56.847 54.840 0.179 0.000 0.752 105 L CB -0.187 41.946 42.059 0.122 0.000 0.891 105 L HN 0.648 nan 8.230 nan 0.000 0.432 106 D N -0.140 120.321 120.400 0.102 0.000 2.354 106 D HA -0.158 4.483 4.640 0.001 0.000 0.216 106 D C 2.166 178.413 176.300 -0.088 0.000 0.970 106 D CA 0.767 54.800 54.000 0.054 0.000 0.905 106 D CB -0.083 40.791 40.800 0.124 0.000 0.903 106 D HN 0.391 nan 8.370 nan 0.000 0.508 107 L N -0.780 120.302 121.223 -0.236 0.000 2.291 107 L HA -0.009 4.332 4.340 0.001 0.000 0.214 107 L C 0.311 176.774 176.870 -0.678 0.000 1.120 107 L CA 0.383 54.892 54.840 -0.553 0.000 0.799 107 L CB -0.109 41.468 42.059 -0.804 0.000 0.925 107 L HN -0.090 nan 8.230 nan 0.000 0.446 108 F N -0.482 119.404 119.950 -0.107 0.000 2.425 108 F HA 0.297 4.825 4.527 0.002 0.000 0.331 108 F C 0.626 176.426 175.800 -0.000 0.000 1.085 108 F CA -1.196 56.746 58.000 -0.097 0.000 1.028 108 F CB 0.820 39.655 39.000 -0.276 0.000 1.177 108 F HN -0.188 nan 8.300 nan 0.000 0.487 109 E N 1.516 121.852 120.200 0.226 0.000 2.259 109 E HA 0.186 4.537 4.350 0.001 0.000 0.281 109 E C -0.916 175.801 176.600 0.195 0.000 1.037 109 E CA -0.640 55.845 56.400 0.141 0.000 0.854 109 E CB 0.563 30.302 29.700 0.066 0.000 1.051 109 E HN 0.512 nan 8.360 nan 0.000 0.409 110 E N 2.749 123.020 120.200 0.119 0.000 2.452 110 E HA 0.173 4.524 4.350 0.001 0.000 0.261 110 E C 0.989 177.377 176.600 -0.354 0.000 0.987 110 E CA 1.288 57.676 56.400 -0.020 0.000 0.926 110 E CB 0.459 30.135 29.700 -0.041 0.000 0.934 110 E HN 0.826 nan 8.360 nan 0.000 0.452 111 G N 2.387 110.565 108.800 -1.036 0.000 2.180 111 G HA2 -0.344 3.617 3.960 0.001 0.000 0.263 111 G HA3 -0.344 3.617 3.960 0.001 0.000 0.263 111 G C 0.276 174.730 174.900 -0.743 0.000 0.989 111 G CA 0.640 44.827 45.100 -1.522 0.000 0.692 111 G HN 0.542 nan 8.290 nan 0.000 0.526 112 S N -0.012 115.511 115.700 -0.294 0.000 2.520 112 S HA 0.596 5.067 4.470 0.001 0.000 0.324 112 S C 1.617 176.296 174.600 0.131 0.000 1.069 112 S CA -0.857 57.342 58.200 -0.002 0.000 1.121 112 S CB 0.213 63.418 63.200 0.009 0.000 0.971 112 S HN 0.185 nan 8.310 nan 0.000 0.463 113 I N 4.162 124.788 120.570 0.094 0.000 2.493 113 I HA -0.064 4.107 4.170 0.001 0.000 0.254 113 I C 2.569 178.533 176.117 -0.255 0.000 1.160 113 I CA 1.216 62.409 61.300 -0.179 0.000 1.445 113 I CB -1.698 36.117 38.000 -0.310 0.000 1.086 113 I HN 0.745 nan 8.210 nan 0.000 0.433 114 A N 0.947 123.728 122.820 -0.065 0.000 1.902 114 A HA -0.226 4.094 4.320 0.001 0.000 0.217 114 A C 2.235 179.803 177.584 -0.026 0.000 1.181 114 A CA 1.819 53.853 52.037 -0.004 0.000 0.623 114 A CB -0.784 18.242 19.000 0.043 0.000 0.818 114 A HN 0.479 nan 8.150 nan 0.000 0.443 115 N N -0.233 118.471 118.700 0.006 0.000 2.216 115 N HA -0.124 4.617 4.740 0.001 0.000 0.183 115 N C 1.789 177.345 175.510 0.078 0.000 1.017 115 N CA 1.506 54.586 53.050 0.050 0.000 0.861 115 N CB -0.187 38.355 38.487 0.092 0.000 0.986 115 N HN 0.341 nan 8.380 nan 0.000 0.428 116 L N 1.647 122.887 121.223 0.028 0.000 1.989 116 L HA -0.153 4.188 4.340 0.001 0.000 0.211 116 L C 2.563 179.312 176.870 -0.201 0.000 1.071 116 L CA 2.466 57.264 54.840 -0.070 0.000 0.749 116 L CB -1.434 40.459 42.059 -0.276 0.000 0.890 116 L HN 0.316 nan 8.230 nan 0.000 0.431 117 T N -2.682 111.622 114.554 -0.417 0.000 2.788 117 T HA -0.122 4.228 4.350 0.001 0.000 0.268 117 T C 1.934 176.581 174.700 -0.088 0.000 1.044 117 T CA 1.091 62.960 62.100 -0.385 0.000 1.139 117 T CB -1.060 67.519 68.868 -0.482 0.000 0.867 117 T HN 0.405 nan 8.240 nan 0.000 0.454 118 A N 1.694 124.490 122.820 -0.041 0.000 1.908 118 A HA -0.078 4.243 4.320 0.001 0.000 0.218 118 A C 2.691 180.301 177.584 0.043 0.000 1.181 118 A CA 2.167 54.213 52.037 0.015 0.000 0.627 118 A CB -1.083 17.925 19.000 0.014 0.000 0.818 118 A HN 0.554 nan 8.150 nan 0.000 0.445 119 S N -0.229 115.504 115.700 0.055 0.000 2.336 119 S HA -0.033 4.437 4.470 0.001 0.000 0.216 119 S C 1.825 176.490 174.600 0.107 0.000 1.032 119 S CA 1.196 59.440 58.200 0.073 0.000 0.973 119 S CB -0.341 62.907 63.200 0.082 0.000 0.888 119 S HN 0.471 nan 8.310 nan 0.000 0.455 120 I N 2.087 122.713 120.570 0.093 0.000 2.264 120 I HA -0.091 4.080 4.170 0.001 0.000 0.248 120 I C 1.893 178.224 176.117 0.356 0.000 1.111 120 I CA 1.537 62.936 61.300 0.164 0.000 1.382 120 I CB -1.096 36.965 38.000 0.101 0.000 1.060 120 I HN 0.424 nan 8.210 nan 0.000 0.418 121 I N -3.415 117.328 120.570 0.288 0.000 4.102 121 I HA 0.430 4.600 4.170 0.001 0.000 0.325 121 I C 1.792 178.054 176.117 0.242 0.000 1.471 121 I CA 0.080 61.612 61.300 0.387 0.000 1.133 121 I CB 0.057 38.187 38.000 0.218 0.000 1.184 121 I HN -0.085 nan 8.210 nan 0.000 0.451 122 G N 2.080 110.980 108.800 0.167 0.000 2.446 122 G HA2 -0.197 3.764 3.960 0.001 0.000 0.217 122 G HA3 -0.197 3.764 3.960 0.001 0.000 0.217 122 G C 1.235 176.215 174.900 0.134 0.000 1.168 122 G CA 1.393 46.562 45.100 0.115 0.000 0.771 122 G HN 0.471 nan 8.290 nan 0.000 0.551 123 N N -0.985 117.804 118.700 0.148 0.000 2.372 123 N HA -0.031 4.710 4.740 0.001 0.000 0.242 123 N C 2.304 177.911 175.510 0.161 0.000 1.124 123 N CA 0.904 54.041 53.050 0.146 0.000 0.824 123 N CB 0.130 38.680 38.487 0.103 0.000 1.468 123 N HN 0.229 nan 8.380 nan 0.000 0.470 124 V N -0.160 119.790 119.914 0.060 0.000 2.511 124 V HA -0.223 3.898 4.120 0.001 0.000 0.257 124 V C 1.659 177.721 176.094 -0.053 0.000 1.088 124 V CA 1.616 63.844 62.300 -0.120 0.000 1.098 124 V CB -1.359 30.247 31.823 -0.362 0.000 0.674 124 V HN 0.030 nan 8.190 nan 0.000 0.470 125 F N 2.022 122.006 119.950 0.056 0.000 2.699 125 F HA 0.358 4.885 4.527 0.001 0.000 0.298 125 F C 2.215 178.138 175.800 0.206 0.000 1.154 125 F CA 1.016 59.097 58.000 0.135 0.000 1.457 125 F CB -0.396 38.691 39.000 0.144 0.000 1.106 125 F HN 0.365 nan 8.300 nan 0.000 0.585 126 G N -1.709 107.279 108.800 0.313 0.000 3.519 126 G HA2 0.034 3.995 3.960 0.001 0.000 0.269 126 G HA3 0.034 3.995 3.960 0.001 0.000 0.269 126 G C -0.176 174.840 174.900 0.194 0.000 1.028 126 G CA -0.165 45.070 45.100 0.226 0.000 0.809 126 G HN 0.084 nan 8.290 nan 0.000 0.521 127 F N 2.283 122.248 119.950 0.025 0.000 2.533 127 F HA 0.279 4.807 4.527 0.001 0.000 0.378 127 F C 1.707 177.502 175.800 -0.008 0.000 1.070 127 F CA -0.414 57.578 58.000 -0.013 0.000 1.172 127 F CB 0.884 39.841 39.000 -0.071 0.000 1.085 127 F HN -0.035 nan 8.300 nan 0.000 0.552 128 K N 3.744 123.949 120.400 -0.324 0.000 2.059 128 K HA -0.261 4.059 4.320 0.001 0.000 0.212 128 K C 2.078 178.581 176.600 -0.162 0.000 1.050 128 K CA 1.765 57.912 56.287 -0.233 0.000 0.927 128 K CB -0.312 32.017 32.500 -0.285 0.000 0.714 128 K HN 0.748 nan 8.250 nan 0.000 0.447 129 A N 0.998 123.676 122.820 -0.237 0.000 2.070 129 A HA -0.057 4.264 4.320 0.001 0.000 0.220 129 A C 0.942 178.566 177.584 0.068 0.000 1.159 129 A CA 0.849 52.868 52.037 -0.030 0.000 0.656 129 A CB -0.013 19.031 19.000 0.072 0.000 0.800 129 A HN 0.066 nan 8.150 nan 0.000 0.453 130 V N 0.784 120.772 119.914 0.122 0.000 2.318 130 V HA 0.134 4.255 4.120 0.001 0.000 0.271 130 V C 1.251 177.388 176.094 0.072 0.000 1.030 130 V CA -0.322 62.028 62.300 0.084 0.000 0.844 130 V CB 1.134 32.993 31.823 0.060 0.000 1.015 130 V HN 0.568 nan 8.190 nan 0.000 0.460 131 K N 3.707 124.139 120.400 0.054 0.000 2.147 131 K HA 0.062 4.383 4.320 0.001 0.000 0.205 131 K C 0.607 177.260 176.600 0.089 0.000 1.049 131 K CA 1.475 57.792 56.287 0.050 0.000 0.936 131 K CB 0.195 32.717 32.500 0.036 0.000 0.722 131 K HN 0.809 nan 8.250 nan 0.000 0.446 132 A N 0.459 123.361 122.820 0.137 0.000 2.589 132 A HA 0.595 4.916 4.320 0.001 0.000 0.296 132 A C -2.010 175.700 177.584 0.211 0.000 1.062 132 A CA -0.820 51.389 52.037 0.288 0.000 0.686 132 A CB 1.584 20.717 19.000 0.221 0.000 1.282 132 A HN 0.147 nan 8.150 nan 0.000 0.404 133 L N 0.945 122.300 121.223 0.221 0.000 2.482 133 L HA 0.820 5.161 4.340 0.001 0.000 0.263 133 L C -0.713 176.092 176.870 -0.109 0.000 0.957 133 L CA -0.136 54.635 54.840 -0.115 0.000 0.836 133 L CB 1.978 43.756 42.059 -0.468 0.000 1.324 133 L HN 0.834 nan 8.230 nan 0.000 0.406 134 R N 4.194 124.758 120.500 0.106 0.000 2.515 134 R HA 0.506 4.847 4.340 0.001 0.000 0.291 134 R C -1.783 174.688 176.300 0.285 0.000 1.046 134 R CA -0.881 55.376 56.100 0.262 0.000 0.914 134 R CB 1.603 32.020 30.300 0.194 0.000 1.191 134 R HN 0.694 nan 8.270 nan 0.000 0.435 135 L N 4.916 126.337 121.223 0.330 0.000 2.407 135 L HA 0.168 4.509 4.340 0.001 0.000 0.282 135 L C 0.777 177.586 176.870 -0.102 0.000 1.110 135 L CA 0.677 55.476 54.840 -0.069 0.000 0.863 135 L CB 0.809 42.871 42.059 0.004 0.000 1.207 135 L HN 0.708 nan 8.230 nan 0.000 0.454 136 E N 2.262 122.350 120.200 -0.186 0.000 2.140 136 E HA 0.062 4.413 4.350 0.001 0.000 0.191 136 E C -0.123 176.405 176.600 -0.120 0.000 0.973 136 E CA 0.532 56.858 56.400 -0.123 0.000 0.829 136 E CB 0.348 29.906 29.700 -0.237 0.000 0.781 136 E HN 0.736 nan 8.360 nan 0.000 0.466 137 D N -1.443 118.846 120.400 -0.186 0.000 2.694 137 D HA 0.338 4.979 4.640 0.001 0.000 0.260 137 D C -1.348 174.998 176.300 0.077 0.000 1.250 137 D CA -0.391 53.597 54.000 -0.020 0.000 0.763 137 D CB 1.273 42.148 40.800 0.126 0.000 1.311 137 D HN -0.213 nan 8.370 nan 0.000 0.420 138 M N 1.110 120.755 119.600 0.075 0.000 2.484 138 M HA 0.390 4.871 4.480 0.001 0.000 0.289 138 M C -0.783 175.362 176.300 -0.259 0.000 1.206 138 M CA -0.937 54.298 55.300 -0.107 0.000 0.892 138 M CB 2.787 35.303 32.600 -0.140 0.000 1.712 138 M HN 0.139 nan 8.290 nan 0.000 0.462 139 R N 3.106 123.220 120.500 -0.643 0.000 2.272 139 R HA 0.535 4.876 4.340 0.001 0.000 0.323 139 R C -1.881 174.207 176.300 -0.353 0.000 1.002 139 R CA -0.374 55.393 56.100 -0.555 0.000 0.900 139 R CB 0.002 29.793 30.300 -0.848 0.000 1.151 139 R HN 0.751 nan 8.270 nan 0.000 0.507 140 L N 7.012 128.061 121.223 -0.290 0.000 2.313 140 L HA 0.363 4.704 4.340 0.001 0.000 0.282 140 L C -1.619 175.167 176.870 -0.141 0.000 1.092 140 L CA -1.764 52.964 54.840 -0.187 0.000 0.831 140 L CB 1.078 43.019 42.059 -0.198 0.000 1.159 140 L HN 0.309 nan 8.230 nan 0.000 0.442 141 P HA -0.066 nan 4.420 nan 0.000 0.269 141 P C 0.662 177.984 177.300 0.038 0.000 1.209 141 P CA -0.447 62.651 63.100 -0.003 0.000 0.776 141 P CB 1.302 33.023 31.700 0.034 0.000 0.876 142 L N 3.876 125.108 121.223 0.015 0.000 2.042 142 L HA -0.200 4.140 4.340 0.001 0.000 0.210 142 L C 2.554 179.470 176.870 0.078 0.000 1.076 142 L CA 2.502 57.361 54.840 0.032 0.000 0.749 142 L CB -1.728 40.346 42.059 0.024 0.000 0.893 142 L HN 0.517 nan 8.230 nan 0.000 0.432 143 A N -2.344 120.534 122.820 0.095 0.000 2.067 143 A HA -0.248 4.073 4.320 0.001 0.000 0.219 143 A C 2.155 179.855 177.584 0.195 0.000 1.158 143 A CA 1.524 53.632 52.037 0.119 0.000 0.661 143 A CB -0.818 18.245 19.000 0.106 0.000 0.801 143 A HN 0.582 nan 8.150 nan 0.000 0.452 144 Y N -0.712 119.627 120.300 0.064 0.000 2.347 144 Y HA 0.126 4.677 4.550 0.002 0.000 0.294 144 Y C 1.676 177.710 175.900 0.223 0.000 1.117 144 Y CA 0.430 58.599 58.100 0.115 0.000 1.184 144 Y CB -0.150 38.345 38.460 0.059 0.000 1.047 144 Y HN 0.167 nan 8.280 nan 0.000 0.546 145 L N 0.717 122.003 121.223 0.104 0.000 2.191 145 L HA -0.157 4.184 4.340 0.001 0.000 0.212 145 L C 2.012 178.970 176.870 0.147 0.000 1.103 145 L CA 1.473 56.359 54.840 0.076 0.000 0.769 145 L CB -0.763 41.323 42.059 0.045 0.000 0.908 145 L HN 0.053 nan 8.230 nan 0.000 0.438 146 K N -0.845 119.618 120.400 0.105 0.000 2.365 146 K HA 0.007 4.328 4.320 0.001 0.000 0.199 146 K C 1.849 178.468 176.600 0.033 0.000 1.045 146 K CA 1.255 57.588 56.287 0.076 0.000 0.962 146 K CB -0.496 32.041 32.500 0.061 0.000 0.759 146 K HN 0.522 nan 8.250 nan 0.000 0.469 147 T N -1.881 112.665 114.554 -0.015 0.000 3.113 147 T HA 0.090 4.441 4.350 0.001 0.000 0.256 147 T C 0.595 175.084 174.700 -0.352 0.000 1.131 147 T CA -0.065 61.925 62.100 -0.185 0.000 1.074 147 T CB -0.224 68.480 68.868 -0.273 0.000 0.944 147 T HN -0.172 nan 8.240 nan 0.000 0.516 148 F N 1.193 121.055 119.950 -0.146 0.000 2.432 148 F HA 0.483 5.011 4.527 0.001 0.000 0.329 148 F C 1.643 177.408 175.800 -0.058 0.000 1.076 148 F CA -1.265 56.664 58.000 -0.119 0.000 1.018 148 F CB 1.795 40.706 39.000 -0.148 0.000 1.201 148 F HN -0.114 nan 8.300 nan 0.000 0.489 149 Q N 1.950 121.832 119.800 0.136 0.000 2.049 149 Q HA 0.240 4.581 4.340 0.001 0.000 0.198 149 Q C 0.786 176.824 176.000 0.064 0.000 0.971 149 Q CA 1.136 56.981 55.803 0.071 0.000 0.833 149 Q CB -0.060 28.705 28.738 0.045 0.000 0.896 149 Q HN 0.980 nan 8.270 nan 0.000 0.434 150 G N 0.475 109.318 108.800 0.072 0.000 2.756 150 G HA2 -0.184 3.777 3.960 0.001 0.000 0.678 150 G HA3 -0.184 3.777 3.960 0.001 0.000 0.678 150 G C -2.649 172.238 174.900 -0.022 0.000 1.349 150 G CA -0.549 44.554 45.100 0.005 0.000 0.847 150 G HN 0.261 nan 8.290 nan 0.000 0.548 151 P HA 0.257 nan 4.420 nan 0.000 0.259 151 P C 1.112 178.393 177.300 -0.032 0.000 1.163 151 P CA 1.117 64.183 63.100 -0.056 0.000 0.760 151 P CB 0.546 32.197 31.700 -0.081 0.000 0.762 152 A N 3.952 126.758 122.820 -0.023 0.000 1.908 152 A HA -0.173 4.147 4.320 0.001 0.000 0.218 152 A C 1.744 179.312 177.584 -0.026 0.000 1.181 152 A CA 2.427 54.453 52.037 -0.018 0.000 0.627 152 A CB -1.217 17.777 19.000 -0.009 0.000 0.818 152 A HN 0.520 nan 8.150 nan 0.000 0.445 153 T N -2.217 112.320 114.554 -0.029 0.000 3.087 153 T HA 0.472 4.823 4.350 0.001 0.000 0.237 153 T C 0.995 175.689 174.700 -0.009 0.000 0.990 153 T CA 0.851 62.940 62.100 -0.019 0.000 1.160 153 T CB -0.192 68.664 68.868 -0.020 0.000 0.923 153 T HN 1.728 nan 8.240 nan 0.000 0.442 154 G N 0.903 109.696 108.800 -0.012 0.000 2.722 154 G HA2 -0.129 3.831 3.960 0.001 0.000 0.686 154 G HA3 -0.129 3.831 3.960 0.001 0.000 0.686 154 G C 0.639 175.550 174.900 0.018 0.000 1.282 154 G CA -0.489 44.604 45.100 -0.013 0.000 0.817 154 G HN 0.203 nan 8.290 nan 0.000 0.605 155 V N 2.922 122.844 119.914 0.013 0.000 2.282 155 V HA -0.259 3.862 4.120 0.001 0.000 0.249 155 V C 2.932 179.055 176.094 0.048 0.000 1.057 155 V CA 2.259 64.579 62.300 0.033 0.000 1.032 155 V CB -0.705 31.124 31.823 0.009 0.000 0.645 155 V HN 0.708 nan 8.190 nan 0.000 0.447 156 I N -0.527 120.071 120.570 0.046 0.000 2.090 156 I HA -0.216 3.955 4.170 0.001 0.000 0.236 156 I C 2.408 178.578 176.117 0.088 0.000 1.064 156 I CA 1.720 63.067 61.300 0.078 0.000 1.324 156 I CB -1.377 36.660 38.000 0.062 0.000 1.044 156 I HN 0.334 nan 8.210 nan 0.000 0.399 157 L N 1.083 122.342 121.223 0.061 0.000 2.127 157 L HA -0.216 4.125 4.340 0.001 0.000 0.211 157 L C 2.501 179.403 176.870 0.053 0.000 1.089 157 L CA 1.877 56.752 54.840 0.057 0.000 0.757 157 L CB -0.809 41.270 42.059 0.032 0.000 0.899 157 L HN 0.353 nan 8.230 nan 0.000 0.434 158 E N -0.556 119.675 120.200 0.052 0.000 2.051 158 E HA -0.242 4.109 4.350 0.001 0.000 0.192 158 E C 2.229 178.842 176.600 0.021 0.000 0.991 158 E CA 1.192 57.629 56.400 0.063 0.000 0.799 158 E CB -0.087 29.681 29.700 0.113 0.000 0.748 158 E HN 0.531 nan 8.360 nan 0.000 0.449 159 R N 0.302 120.791 120.500 -0.018 0.000 2.115 159 R HA -0.102 4.239 4.340 0.001 0.000 0.230 159 R C 2.211 178.338 176.300 -0.288 0.000 1.111 159 R CA 1.349 57.316 56.100 -0.221 0.000 0.976 159 R CB -0.192 29.981 30.300 -0.212 0.000 0.870 159 R HN 0.334 nan 8.270 nan 0.000 0.445 160 E N 0.584 120.803 120.200 0.032 0.000 2.152 160 E HA -0.094 4.257 4.350 0.001 0.000 0.192 160 E C 1.946 178.588 176.600 0.071 0.000 0.983 160 E CA 0.652 57.151 56.400 0.165 0.000 0.818 160 E CB 0.089 29.904 29.700 0.193 0.000 0.758 160 E HN 0.298 nan 8.360 nan 0.000 0.467 161 R N 0.128 120.646 120.500 0.029 0.000 2.240 161 R HA 0.061 4.401 4.340 0.001 0.000 0.203 161 R C 2.015 178.316 176.300 0.002 0.000 1.011 161 R CA 0.489 56.606 56.100 0.028 0.000 1.007 161 R CB 0.133 30.455 30.300 0.037 0.000 0.911 161 R HN 0.187 nan 8.270 nan 0.000 0.468 162 L N -0.119 121.068 121.223 -0.059 0.000 2.463 162 L HA 0.078 4.418 4.340 0.001 0.000 0.219 162 L C 0.197 176.967 176.870 -0.168 0.000 1.088 162 L CA 0.020 54.797 54.840 -0.105 0.000 0.849 162 L CB 0.032 42.009 42.059 -0.138 0.000 1.012 162 L HN 0.115 nan 8.230 nan 0.000 0.468 163 D N 1.768 122.019 120.400 -0.248 0.000 2.746 163 D HA -0.188 4.453 4.640 0.001 0.000 0.236 163 D C -0.267 175.791 176.300 -0.404 0.000 1.129 163 D CA 0.813 54.698 54.000 -0.191 0.000 0.691 163 D CB -0.746 40.077 40.800 0.039 0.000 1.077 163 D HN 0.296 nan 8.370 nan 0.000 0.432 164 K N 0.918 120.780 120.400 -0.895 0.000 2.640 164 K HA 0.482 4.803 4.320 0.001 0.000 0.245 164 K C -0.638 175.505 176.600 -0.762 0.000 0.962 164 K CA -0.602 55.344 56.287 -0.568 0.000 0.896 164 K CB 0.970 33.281 32.500 -0.315 0.000 1.147 164 K HN -0.040 nan 8.250 nan 0.000 0.445 165 F N -0.654 119.298 119.950 0.003 0.000 2.631 165 F HA 0.523 5.050 4.527 0.001 0.000 0.328 165 F C 1.371 177.173 175.800 0.003 0.000 1.067 165 F CA -0.934 57.070 58.000 0.007 0.000 0.969 165 F CB 1.458 40.463 39.000 0.007 0.000 1.332 165 F HN 0.619 nan 8.300 nan 0.000 0.490 166 G N 0.860 109.787 108.800 0.212 0.000 2.175 166 G HA2 -0.254 3.706 3.960 0.001 0.000 0.265 166 G HA3 -0.254 3.706 3.960 0.001 0.000 0.265 166 G C -0.112 174.825 174.900 0.062 0.000 0.979 166 G CA 0.528 45.696 45.100 0.113 0.000 0.663 166 G HN 0.991 nan 8.290 nan 0.000 0.533 167 R N -1.713 118.817 120.500 0.051 0.000 2.663 167 R HA 0.616 4.957 4.340 0.001 0.000 0.267 167 R C -3.418 172.896 176.300 0.024 0.000 1.038 167 R CA -1.938 54.177 56.100 0.026 0.000 0.886 167 R CB 0.663 30.973 30.300 0.017 0.000 1.249 167 R HN 0.022 nan 8.270 nan 0.000 0.463 168 P HA 0.051 nan 4.420 nan 0.000 0.269 168 P C -0.563 176.760 177.300 0.038 0.000 1.217 168 P CA -0.192 62.934 63.100 0.044 0.000 0.783 168 P CB 0.499 32.238 31.700 0.065 0.000 0.898 169 L N 1.208 122.458 121.223 0.046 0.000 2.416 169 L HA 0.444 4.785 4.340 0.001 0.000 0.262 169 L C 0.082 177.010 176.870 0.097 0.000 1.093 169 L CA -0.713 54.154 54.840 0.045 0.000 0.801 169 L CB 0.402 42.513 42.059 0.086 0.000 1.191 169 L HN 0.161 nan 8.230 nan 0.000 0.459 170 L N 0.748 122.025 121.223 0.090 0.000 2.362 170 L HA 0.725 5.066 4.340 0.001 0.000 0.275 170 L C 0.108 177.081 176.870 0.173 0.000 0.998 170 L CA -0.274 54.660 54.840 0.157 0.000 0.820 170 L CB 1.803 43.937 42.059 0.125 0.000 1.270 170 L HN 0.671 nan 8.230 nan 0.000 0.415 171 G N 0.687 109.600 108.800 0.188 0.000 2.818 171 G HA2 0.651 4.612 3.960 0.001 0.000 0.286 171 G HA3 0.651 4.612 3.960 0.001 0.000 0.286 171 G C -1.930 173.022 174.900 0.086 0.000 1.364 171 G CA -0.561 44.613 45.100 0.124 0.000 0.938 171 G HN 0.685 nan 8.290 nan 0.000 0.490 172 C N 0.064 119.361 119.300 -0.005 0.000 2.989 172 C HA 0.687 5.148 4.460 0.001 0.000 0.397 172 C C -0.320 174.643 174.990 -0.045 0.000 1.022 172 C CA -0.456 58.568 59.018 0.010 0.000 1.232 172 C CB 0.490 28.263 27.740 0.054 0.000 1.638 172 C HN 0.787 nan 8.230 nan 0.000 0.534 173 T N 5.355 119.892 114.554 -0.028 0.000 2.728 173 T HA 0.322 4.673 4.350 0.001 0.000 0.296 173 T C 0.508 175.213 174.700 0.009 0.000 0.940 173 T CA 0.311 62.409 62.100 -0.005 0.000 1.013 173 T CB 0.808 69.700 68.868 0.039 0.000 0.912 173 T HN 0.863 nan 8.240 nan 0.000 0.484 174 T N 5.970 120.521 114.554 -0.004 0.000 2.933 174 T HA 0.101 4.451 4.350 0.001 0.000 0.306 174 T C 0.343 175.018 174.700 -0.041 0.000 1.045 174 T CA 0.065 62.096 62.100 -0.116 0.000 1.143 174 T CB 0.148 68.735 68.868 -0.469 0.000 1.003 174 T HN 0.326 nan 8.240 nan 0.000 0.540 175 K N 3.114 123.481 120.400 -0.055 0.000 2.469 175 K HA 0.445 4.766 4.320 0.001 0.000 0.254 175 K C -2.449 174.135 176.600 -0.027 0.000 0.939 175 K CA -2.152 54.129 56.287 -0.011 0.000 0.812 175 K CB 1.441 33.948 32.500 0.012 0.000 1.301 175 K HN 0.356 nan 8.250 nan 0.000 0.433 176 P HA 0.109 nan 4.420 nan 0.000 0.269 176 P C 0.268 177.578 177.300 0.016 0.000 1.217 176 P CA -0.125 62.971 63.100 -0.007 0.000 0.783 176 P CB 0.940 32.620 31.700 -0.033 0.000 0.898 177 K N 0.165 120.580 120.400 0.025 0.000 2.044 177 K HA -0.082 4.239 4.320 0.001 0.000 0.210 177 K C 0.841 177.488 176.600 0.079 0.000 1.049 177 K CA 1.258 57.582 56.287 0.061 0.000 0.927 177 K CB -0.265 32.262 32.500 0.044 0.000 0.713 177 K HN 0.409 nan 8.250 nan 0.000 0.443 178 L N -2.686 118.520 121.223 -0.029 0.000 2.303 178 L HA 0.427 4.768 4.340 0.001 0.000 0.256 178 L C 0.871 177.415 176.870 -0.544 0.000 1.034 178 L CA -0.364 54.357 54.840 -0.199 0.000 0.832 178 L CB 2.213 44.208 42.059 -0.107 0.000 1.403 178 L HN 0.373 nan 8.230 nan 0.000 0.419 179 G N 0.352 108.274 108.800 -1.465 0.000 2.313 179 G HA2 -0.199 3.762 3.960 0.001 0.000 0.215 179 G HA3 -0.199 3.762 3.960 0.001 0.000 0.215 179 G C 0.039 174.663 174.900 -0.460 0.000 1.023 179 G CA -0.387 44.081 45.100 -1.053 0.000 0.626 179 G HN 0.318 nan 8.290 nan 0.000 0.503 180 L N 2.202 123.339 121.223 -0.143 0.000 2.473 180 L HA 0.502 4.843 4.340 0.001 0.000 0.268 180 L C 1.528 178.568 176.870 0.283 0.000 1.215 180 L CA 0.301 55.213 54.840 0.120 0.000 0.823 180 L CB 1.008 43.205 42.059 0.231 0.000 1.099 180 L HN 0.579 nan 8.230 nan 0.000 0.483 181 S N 0.202 116.032 115.700 0.216 0.000 2.730 181 S HA 0.381 4.852 4.470 0.001 0.000 0.284 181 S C 0.970 175.678 174.600 0.179 0.000 1.153 181 S CA -0.290 58.026 58.200 0.193 0.000 0.995 181 S CB 1.437 64.691 63.200 0.090 0.000 1.058 181 S HN 0.736 nan 8.310 nan 0.000 0.552 182 G N 0.966 109.842 108.800 0.126 0.000 2.433 182 G HA2 -0.231 3.730 3.960 0.001 0.000 0.216 182 G HA3 -0.231 3.730 3.960 0.001 0.000 0.216 182 G C 1.301 176.164 174.900 -0.061 0.000 1.186 182 G CA 1.172 46.363 45.100 0.151 0.000 0.779 182 G HN 0.760 nan 8.290 nan 0.000 0.543 183 K N 0.989 121.095 120.400 -0.491 0.000 2.044 183 K HA -0.127 4.193 4.320 0.001 0.000 0.210 183 K C 2.251 178.634 176.600 -0.362 0.000 1.049 183 K CA 1.785 57.488 56.287 -0.974 0.000 0.927 183 K CB -0.372 31.651 32.500 -0.795 0.000 0.713 183 K HN 0.229 nan 8.250 nan 0.000 0.443 184 N N -0.695 117.920 118.700 -0.141 0.000 2.188 184 N HA -0.150 4.590 4.740 0.001 0.000 0.184 184 N C 1.690 177.210 175.510 0.016 0.000 1.018 184 N CA 1.132 54.157 53.050 -0.042 0.000 0.858 184 N CB -0.367 38.122 38.487 0.003 0.000 0.989 184 N HN 0.253 nan 8.380 nan 0.000 0.426 185 Y N 1.447 121.728 120.300 -0.031 0.000 2.207 185 Y HA -0.124 4.426 4.550 0.001 0.000 0.287 185 Y C 2.449 178.333 175.900 -0.027 0.000 1.156 185 Y CA 1.684 59.788 58.100 0.008 0.000 1.182 185 Y CB -0.582 37.919 38.460 0.068 0.000 0.979 185 Y HN 0.070 nan 8.280 nan 0.000 0.521 186 G N -0.717 108.157 108.800 0.123 0.000 2.443 186 G HA2 -0.214 3.746 3.960 0.001 0.000 0.219 186 G HA3 -0.214 3.746 3.960 0.001 0.000 0.219 186 G C 1.870 176.805 174.900 0.058 0.000 1.131 186 G CA 0.407 45.560 45.100 0.089 0.000 0.775 186 G HN 0.129 nan 8.290 nan 0.000 0.547 187 R N 0.362 120.873 120.500 0.018 0.000 2.070 187 R HA -0.028 4.312 4.340 0.001 0.000 0.233 187 R C 2.753 179.081 176.300 0.047 0.000 1.137 187 R CA 1.206 57.334 56.100 0.047 0.000 0.945 187 R CB -0.986 29.316 30.300 0.004 0.000 0.845 187 R HN 0.292 nan 8.270 nan 0.000 0.430 188 V N 0.510 120.403 119.914 -0.034 0.000 2.287 188 V HA -0.230 3.891 4.120 0.001 0.000 0.248 188 V C 2.616 178.680 176.094 -0.050 0.000 1.053 188 V CA 1.701 63.959 62.300 -0.071 0.000 1.027 188 V CB -0.545 31.175 31.823 -0.172 0.000 0.646 188 V HN 0.063 nan 8.190 nan 0.000 0.447 189 V N -0.688 119.190 119.914 -0.059 0.000 2.255 189 V HA -0.331 3.789 4.120 0.001 0.000 0.247 189 V C 2.237 178.364 176.094 0.054 0.000 1.051 189 V CA 2.730 65.011 62.300 -0.030 0.000 1.018 189 V CB -0.854 30.893 31.823 -0.128 0.000 0.641 189 V HN 0.661 nan 8.190 nan 0.000 0.445 190 Y N 1.342 121.626 120.300 -0.026 0.000 2.097 190 Y HA -0.242 4.309 4.550 0.001 0.000 0.282 190 Y C 2.634 178.528 175.900 -0.010 0.000 1.152 190 Y CA 2.060 60.157 58.100 -0.005 0.000 1.136 190 Y CB -0.440 38.022 38.460 0.003 0.000 0.975 190 Y HN 0.272 nan 8.280 nan 0.000 0.498 191 E N 0.449 120.547 120.200 -0.170 0.000 2.038 191 E HA -0.245 4.106 4.350 0.001 0.000 0.195 191 E C 2.444 178.918 176.600 -0.211 0.000 1.000 191 E CA 1.441 57.684 56.400 -0.261 0.000 0.803 191 E CB -0.946 28.698 29.700 -0.094 0.000 0.750 191 E HN 0.578 nan 8.360 nan 0.000 0.448 192 A N 1.026 123.778 122.820 -0.113 0.000 1.930 192 A HA -0.096 4.225 4.320 0.001 0.000 0.217 192 A C 2.422 179.959 177.584 -0.077 0.000 1.175 192 A CA 0.910 52.901 52.037 -0.076 0.000 0.627 192 A CB -0.586 18.398 19.000 -0.027 0.000 0.815 192 A HN 0.141 nan 8.150 nan 0.000 0.443 193 L N -0.673 120.507 121.223 -0.072 0.000 1.988 193 L HA -0.176 4.164 4.340 0.001 0.000 0.207 193 L C 2.643 179.446 176.870 -0.111 0.000 1.071 193 L CA 1.939 56.746 54.840 -0.053 0.000 0.744 193 L CB -0.475 41.587 42.059 0.004 0.000 0.893 193 L HN 0.424 nan 8.230 nan 0.000 0.433 194 K N 0.257 120.530 120.400 -0.211 0.000 2.211 194 K HA -0.173 4.148 4.320 0.001 0.000 0.204 194 K C 1.855 178.347 176.600 -0.179 0.000 1.047 194 K CA 1.366 57.511 56.287 -0.236 0.000 0.935 194 K CB -0.231 31.985 32.500 -0.473 0.000 0.728 194 K HN 0.394 nan 8.250 nan 0.000 0.452 195 G N -0.798 107.898 108.800 -0.174 0.000 2.534 195 G HA2 -0.025 3.936 3.960 0.001 0.000 0.217 195 G HA3 -0.025 3.936 3.960 0.001 0.000 0.217 195 G C 0.935 175.773 174.900 -0.103 0.000 1.128 195 G CA 0.823 45.841 45.100 -0.137 0.000 0.784 195 G HN 0.540 nan 8.290 nan 0.000 0.542 196 G N -1.122 107.624 108.800 -0.090 0.000 2.672 196 G HA2 -0.139 3.822 3.960 0.001 0.000 0.197 196 G HA3 -0.139 3.822 3.960 0.001 0.000 0.197 196 G C 0.332 175.195 174.900 -0.061 0.000 0.995 196 G CA -0.263 44.794 45.100 -0.072 0.000 0.754 196 G HN 0.301 nan 8.290 nan 0.000 0.505 197 L N 1.399 122.593 121.223 -0.049 0.000 2.452 197 L HA 0.313 4.654 4.340 0.001 0.000 0.267 197 L C 1.020 177.855 176.870 -0.059 0.000 1.188 197 L CA -0.371 54.456 54.840 -0.022 0.000 0.821 197 L CB 0.510 42.581 42.059 0.019 0.000 1.102 197 L HN 0.026 nan 8.230 nan 0.000 0.470 198 D N 0.890 121.230 120.400 -0.099 0.000 2.183 198 D HA 0.065 4.706 4.640 0.001 0.000 0.205 198 D C -0.054 176.017 176.300 -0.381 0.000 0.962 198 D CA 1.428 55.245 54.000 -0.306 0.000 0.849 198 D CB 0.366 40.891 40.800 -0.459 0.000 0.978 198 D HN 0.128 nan 8.370 nan 0.000 0.488 199 F N -0.462 119.518 119.950 0.051 0.000 2.629 199 F HA 0.467 4.995 4.527 0.002 0.000 0.316 199 F C -0.017 175.753 175.800 -0.050 0.000 1.081 199 F CA -1.118 56.901 58.000 0.032 0.000 0.954 199 F CB 1.758 40.795 39.000 0.062 0.000 1.337 199 F HN -0.436 nan 8.300 nan 0.000 0.474 200 V N 0.776 120.794 119.914 0.173 0.000 3.114 200 V HA 0.677 4.798 4.120 0.001 0.000 0.308 200 V C -1.226 174.772 176.094 -0.160 0.000 1.168 200 V CA -1.199 61.164 62.300 0.106 0.000 1.015 200 V CB 2.704 34.698 31.823 0.286 0.000 1.050 200 V HN 0.774 nan 8.190 nan 0.000 0.433 201 K N 0.006 120.268 120.400 -0.230 0.000 2.556 201 K HA 0.650 4.971 4.320 0.001 0.000 0.274 201 K C -1.805 174.778 176.600 -0.028 0.000 0.966 201 K CA -0.996 54.968 56.287 -0.538 0.000 0.865 201 K CB 2.143 34.142 32.500 -0.836 0.000 1.444 201 K HN 0.398 nan 8.250 nan 0.000 0.433 202 D N 1.445 121.843 120.400 -0.005 0.000 2.372 202 D HA 0.069 4.710 4.640 0.001 0.000 0.243 202 D C -0.426 175.987 176.300 0.189 0.000 1.121 202 D CA 0.315 54.487 54.000 0.288 0.000 0.898 202 D CB 0.815 41.716 40.800 0.168 0.000 1.202 202 D HN 0.441 nan 8.370 nan 0.000 0.428 203 D N 0.546 121.088 120.400 0.235 0.000 2.360 203 D HA -0.059 4.582 4.640 0.001 0.000 0.242 203 D C 1.423 177.748 176.300 0.041 0.000 1.184 203 D CA -0.251 53.830 54.000 0.135 0.000 0.930 203 D CB 0.822 41.706 40.800 0.141 0.000 1.161 203 D HN 0.373 nan 8.370 nan 0.000 0.447 204 E N 1.573 121.709 120.200 -0.106 0.000 2.110 204 E HA -0.244 4.107 4.350 0.001 0.000 0.193 204 E C 0.699 177.216 176.600 -0.138 0.000 0.988 204 E CA 1.127 57.355 56.400 -0.287 0.000 0.804 204 E CB -0.509 28.657 29.700 -0.890 0.000 0.745 204 E HN 0.513 nan 8.360 nan 0.000 0.458 205 N N 1.057 119.720 118.700 -0.061 0.000 2.383 205 N HA 0.019 4.760 4.740 0.001 0.000 0.192 205 N C 0.171 175.722 175.510 0.068 0.000 1.141 205 N CA -0.041 53.009 53.050 -0.001 0.000 0.851 205 N CB 0.070 38.569 38.487 0.020 0.000 0.976 205 N HN 0.089 nan 8.380 nan 0.000 0.465 206 I N 1.748 122.370 120.570 0.086 0.000 2.322 206 I HA 0.193 4.364 4.170 0.001 0.000 0.292 206 I C 0.280 176.435 176.117 0.063 0.000 1.060 206 I CA -0.053 61.321 61.300 0.123 0.000 1.309 206 I CB -0.086 38.000 38.000 0.145 0.000 1.415 206 I HN 0.157 nan 8.210 nan 0.000 0.492 207 N N 3.322 122.043 118.700 0.034 0.000 3.327 207 N HA 0.156 4.897 4.740 0.001 0.000 0.196 207 N C -0.276 175.249 175.510 0.025 0.000 1.296 207 N CA -0.301 52.752 53.050 0.006 0.000 1.122 207 N CB 0.618 39.079 38.487 -0.043 0.000 1.279 207 N HN 0.416 nan 8.380 nan 0.000 0.559 208 S N 0.272 115.958 115.700 -0.022 0.000 2.689 208 S HA 0.435 4.905 4.470 0.001 0.000 0.274 208 S C -1.924 172.598 174.600 -0.130 0.000 1.176 208 S CA -0.409 57.797 58.200 0.008 0.000 1.014 208 S CB 1.072 64.373 63.200 0.169 0.000 1.071 208 S HN 0.273 nan 8.310 nan 0.000 0.478 209 Q N 3.313 122.927 119.800 -0.309 0.000 2.626 209 Q HA 0.475 4.816 4.340 0.001 0.000 0.300 209 Q C -2.202 173.528 176.000 -0.451 0.000 0.988 209 Q CA -1.744 53.794 55.803 -0.442 0.000 0.761 209 Q CB 1.374 29.667 28.738 -0.741 0.000 1.494 209 Q HN 0.261 nan 8.270 nan 0.000 0.439 210 P HA -0.191 nan 4.420 nan 0.000 0.217 210 P C 0.530 177.774 177.300 -0.092 0.000 1.151 210 P CA 1.436 64.454 63.100 -0.136 0.000 0.849 210 P CB 0.055 31.738 31.700 -0.029 0.000 0.787 211 F N -2.585 117.382 119.950 0.028 0.000 2.780 211 F HA 0.361 4.889 4.527 0.001 0.000 0.299 211 F C 0.784 176.606 175.800 0.036 0.000 1.146 211 F CA -0.158 57.861 58.000 0.032 0.000 1.428 211 F CB -0.557 38.466 39.000 0.038 0.000 1.115 211 F HN -0.173 nan 8.300 nan 0.000 0.583 212 M N 1.262 120.715 119.600 -0.245 0.000 2.431 212 M HA 0.280 4.760 4.480 0.001 0.000 0.213 212 M C -1.569 174.631 176.300 -0.167 0.000 0.955 212 M CA -0.470 54.783 55.300 -0.077 0.000 0.844 212 M CB 0.880 33.561 32.600 0.135 0.000 2.440 212 M HN -0.171 nan 8.290 nan 0.000 0.434 213 R N 3.670 124.114 120.500 -0.092 0.000 2.531 213 R HA 0.302 4.642 4.340 0.001 0.000 0.273 213 R C 1.097 177.371 176.300 -0.044 0.000 1.070 213 R CA -0.166 55.882 56.100 -0.086 0.000 1.112 213 R CB 0.491 30.706 30.300 -0.143 0.000 1.049 213 R HN 0.951 nan 8.270 nan 0.000 0.508 214 W N 3.813 125.036 121.300 -0.128 0.000 2.338 214 W HA -0.185 4.476 4.660 0.001 0.000 0.304 214 W C 0.982 177.406 176.519 -0.158 0.000 1.212 214 W CA 0.744 58.001 57.345 -0.146 0.000 1.264 214 W CB -0.619 28.672 29.460 -0.282 0.000 1.142 214 W HN 0.471 nan 8.180 nan 0.000 0.512 215 R N 1.107 121.004 120.500 -1.005 0.000 2.105 215 R HA -0.164 4.177 4.340 0.001 0.000 0.239 215 R C 2.144 178.377 176.300 -0.112 0.000 1.135 215 R CA 2.336 57.979 56.100 -0.762 0.000 0.967 215 R CB -0.378 29.255 30.300 -1.111 0.000 0.861 215 R HN 0.269 nan 8.270 nan 0.000 0.442 216 E N 0.257 120.416 120.200 -0.068 0.000 2.051 216 E HA -0.180 4.171 4.350 0.001 0.000 0.192 216 E C 1.987 178.769 176.600 0.302 0.000 0.991 216 E CA 1.013 57.492 56.400 0.131 0.000 0.799 216 E CB -0.154 29.667 29.700 0.201 0.000 0.748 216 E HN 0.202 nan 8.360 nan 0.000 0.449 217 R N -0.266 120.407 120.500 0.289 0.000 2.103 217 R HA -0.216 4.125 4.340 0.001 0.000 0.242 217 R C 1.901 178.461 176.300 0.433 0.000 1.142 217 R CA 1.471 57.775 56.100 0.340 0.000 0.960 217 R CB -0.239 30.204 30.300 0.238 0.000 0.858 217 R HN 0.204 nan 8.270 nan 0.000 0.439 218 Y N 0.218 120.645 120.300 0.211 0.000 2.145 218 Y HA -0.211 4.340 4.550 0.002 0.000 0.286 218 Y C 2.141 178.071 175.900 0.049 0.000 1.145 218 Y CA 0.808 59.009 58.100 0.169 0.000 1.148 218 Y CB -0.631 37.983 38.460 0.258 0.000 0.981 218 Y HN 0.065 nan 8.280 nan 0.000 0.507 219 L N -1.127 120.223 121.223 0.213 0.000 1.970 219 L HA -0.239 4.102 4.340 0.001 0.000 0.212 219 L C 2.333 179.179 176.870 -0.039 0.000 1.071 219 L CA 1.774 56.614 54.840 0.000 0.000 0.751 219 L CB -1.679 40.318 42.059 -0.103 0.000 0.889 219 L HN 0.165 nan 8.230 nan 0.000 0.432 220 F N -0.466 119.535 119.950 0.085 0.000 2.134 220 F HA -0.221 4.307 4.527 0.001 0.000 0.299 220 F C 2.498 178.325 175.800 0.045 0.000 1.097 220 F CA 1.621 59.657 58.000 0.059 0.000 1.264 220 F CB -0.662 38.382 39.000 0.074 0.000 1.001 220 F HN 0.071 nan 8.300 nan 0.000 0.479 221 T N 0.002 114.701 114.554 0.242 0.000 2.746 221 T HA -0.186 4.165 4.350 0.001 0.000 0.267 221 T C 2.025 176.771 174.700 0.076 0.000 1.039 221 T CA 1.116 63.278 62.100 0.103 0.000 1.142 221 T CB -0.156 68.731 68.868 0.032 0.000 0.866 221 T HN 0.049 nan 8.240 nan 0.000 0.444 222 M N 0.977 120.616 119.600 0.064 0.000 2.279 222 M HA -0.021 4.459 4.480 0.001 0.000 0.264 222 M C 2.258 178.582 176.300 0.040 0.000 1.062 222 M CA 1.244 56.566 55.300 0.037 0.000 1.099 222 M CB -0.954 31.636 32.600 -0.016 0.000 1.394 222 M HN 0.270 nan 8.290 nan 0.000 0.426 223 E N 0.672 120.897 120.200 0.043 0.000 2.046 223 E HA -0.052 4.299 4.350 0.001 0.000 0.190 223 E C 1.943 178.565 176.600 0.037 0.000 0.982 223 E CA 1.768 58.185 56.400 0.028 0.000 0.800 223 E CB -0.220 29.499 29.700 0.032 0.000 0.756 223 E HN 0.329 nan 8.360 nan 0.000 0.449 224 A N 0.404 123.267 122.820 0.072 0.000 1.908 224 A HA -0.144 4.177 4.320 0.001 0.000 0.218 224 A C 2.524 180.211 177.584 0.173 0.000 1.181 224 A CA 1.737 53.842 52.037 0.113 0.000 0.627 224 A CB -0.915 18.173 19.000 0.147 0.000 0.818 224 A HN 0.212 nan 8.150 nan 0.000 0.445 225 V N 1.076 121.066 119.914 0.126 0.000 2.287 225 V HA -0.286 3.835 4.120 0.001 0.000 0.248 225 V C 2.312 178.475 176.094 0.114 0.000 1.053 225 V CA 2.184 64.562 62.300 0.131 0.000 1.027 225 V CB -0.903 30.996 31.823 0.127 0.000 0.646 225 V HN 0.586 nan 8.190 nan 0.000 0.447 226 N N -0.074 118.676 118.700 0.084 0.000 2.223 226 N HA -0.146 4.594 4.740 0.001 0.000 0.185 226 N C 1.847 177.403 175.510 0.077 0.000 1.016 226 N CA 1.151 54.240 53.050 0.065 0.000 0.863 226 N CB -0.162 38.348 38.487 0.039 0.000 0.983 226 N HN 0.538 nan 8.380 nan 0.000 0.429 227 K N 0.972 121.425 120.400 0.090 0.000 2.057 227 K HA 0.017 4.338 4.320 0.001 0.000 0.206 227 K C 2.098 178.850 176.600 0.252 0.000 1.050 227 K CA 0.942 57.298 56.287 0.115 0.000 0.935 227 K CB -0.083 32.388 32.500 -0.049 0.000 0.715 227 K HN 0.085 nan 8.250 nan 0.000 0.439 228 A N 1.034 124.026 122.820 0.287 0.000 1.933 228 A HA -0.182 4.139 4.320 0.001 0.000 0.218 228 A C 2.240 179.880 177.584 0.093 0.000 1.175 228 A CA 2.075 54.220 52.037 0.180 0.000 0.628 228 A CB -0.575 18.498 19.000 0.122 0.000 0.814 228 A HN 0.290 nan 8.150 nan 0.000 0.444 229 S N -0.437 115.315 115.700 0.086 0.000 2.368 229 S HA 0.007 4.478 4.470 0.001 0.000 0.224 229 S C 2.183 176.813 174.600 0.050 0.000 1.029 229 S CA 1.480 59.711 58.200 0.053 0.000 0.988 229 S CB -0.465 62.765 63.200 0.050 0.000 0.838 229 S HN 0.808 nan 8.310 nan 0.000 0.462 230 A N 1.083 123.941 122.820 0.063 0.000 1.933 230 A HA 0.270 4.591 4.320 0.001 0.000 0.218 230 A C 2.305 179.923 177.584 0.057 0.000 1.175 230 A CA 1.668 53.737 52.037 0.054 0.000 0.628 230 A CB -1.115 17.916 19.000 0.053 0.000 0.814 230 A HN 0.780 nan 8.150 nan 0.000 0.444 231 A N -0.944 121.924 122.820 0.081 0.000 2.206 231 A HA 0.173 4.493 4.320 0.001 0.000 0.211 231 A C 1.932 179.533 177.584 0.029 0.000 1.158 231 A CA 1.952 54.031 52.037 0.070 0.000 0.761 231 A CB -0.532 18.537 19.000 0.115 0.000 0.801 231 A HN 0.774 nan 8.150 nan 0.000 0.473 232 T N -7.016 107.550 114.554 0.021 0.000 2.992 232 T HA 0.416 4.767 4.350 0.001 0.000 0.255 232 T C 1.335 176.036 174.700 0.002 0.000 0.938 232 T CA 1.061 63.161 62.100 0.001 0.000 0.895 232 T CB 0.112 68.971 68.868 -0.016 0.000 1.221 232 T HN 1.631 nan 8.240 nan 0.000 0.512 233 G N 1.450 110.256 108.800 0.010 0.000 2.136 233 G HA2 -0.184 3.777 3.960 0.001 0.000 0.242 233 G HA3 -0.184 3.777 3.960 0.001 0.000 0.242 233 G C -0.326 174.576 174.900 0.003 0.000 0.989 233 G CA 0.236 45.342 45.100 0.010 0.000 0.682 233 G HN 0.708 nan 8.290 nan 0.000 0.522 234 E N -1.060 119.137 120.200 -0.005 0.000 2.249 234 E HA 0.594 4.945 4.350 0.001 0.000 0.263 234 E C -0.208 176.383 176.600 -0.016 0.000 0.950 234 E CA -1.093 55.294 56.400 -0.021 0.000 0.827 234 E CB 2.431 32.104 29.700 -0.045 0.000 1.220 234 E HN 0.053 nan 8.360 nan 0.000 0.411 235 V N 2.993 122.888 119.914 -0.031 0.000 2.432 235 V HA 0.148 4.268 4.120 0.001 0.000 0.271 235 V C 0.102 176.174 176.094 -0.038 0.000 1.046 235 V CA -0.138 62.154 62.300 -0.015 0.000 0.945 235 V CB 0.475 32.290 31.823 -0.013 0.000 0.992 235 V HN 0.464 nan 8.190 nan 0.000 0.471 236 K N 3.011 123.417 120.400 0.011 0.000 2.238 236 K HA 0.873 5.194 4.320 0.001 0.000 0.239 236 K C 0.062 176.747 176.600 0.143 0.000 0.987 236 K CA -0.514 55.788 56.287 0.026 0.000 0.857 236 K CB 2.357 34.888 32.500 0.051 0.000 1.154 236 K HN 0.837 nan 8.250 nan 0.000 0.439 237 G N 0.076 109.040 108.800 0.274 0.000 2.703 237 G HA2 0.383 4.343 3.960 0.001 0.000 0.294 237 G HA3 0.383 4.343 3.960 0.001 0.000 0.294 237 G C -2.128 173.098 174.900 0.545 0.000 1.451 237 G CA -0.442 44.928 45.100 0.450 0.000 0.869 237 G HN 0.582 nan 8.290 nan 0.000 0.516 238 H N 0.334 119.569 119.070 0.275 0.000 2.744 238 H HA 0.539 5.096 4.556 0.001 0.000 0.339 238 H C -0.963 174.479 175.328 0.190 0.000 1.004 238 H CA -0.837 55.329 56.048 0.197 0.000 1.257 238 H CB 0.742 30.586 29.762 0.136 0.000 1.552 238 H HN 0.365 nan 8.280 nan 0.000 0.522 239 Y N 5.660 125.646 120.300 -0.523 0.000 2.783 239 Y HA 0.032 4.583 4.550 0.001 0.000 0.359 239 Y C 0.269 175.914 175.900 -0.424 0.000 1.220 239 Y CA -0.210 57.626 58.100 -0.441 0.000 1.649 239 Y CB -0.819 37.383 38.460 -0.429 0.000 1.273 239 Y HN 0.489 nan 8.280 nan 0.000 0.506 240 L N 4.119 125.265 121.223 -0.129 0.000 2.315 240 L HA 0.155 4.496 4.340 0.001 0.000 0.283 240 L C 0.773 177.601 176.870 -0.069 0.000 1.089 240 L CA 0.046 54.764 54.840 -0.203 0.000 0.833 240 L CB 0.268 41.994 42.059 -0.555 0.000 1.170 240 L HN 0.579 nan 8.230 nan 0.000 0.442 241 N N 2.190 120.912 118.700 0.037 0.000 2.420 241 N HA 0.118 4.859 4.740 0.001 0.000 0.262 241 N C 0.774 176.340 175.510 0.095 0.000 1.144 241 N CA -0.420 52.669 53.050 0.065 0.000 0.952 241 N CB 1.040 39.568 38.487 0.068 0.000 1.081 241 N HN 0.506 nan 8.380 nan 0.000 0.480 242 V N 0.462 120.376 119.914 -0.001 0.000 3.542 242 V HA 0.174 4.295 4.120 0.001 0.000 0.296 242 V C 0.674 176.661 176.094 -0.179 0.000 1.364 242 V CA -0.261 61.981 62.300 -0.095 0.000 1.118 242 V CB -0.216 31.513 31.823 -0.157 0.000 0.972 242 V HN 0.441 nan 8.190 nan 0.000 0.430 243 T N 3.130 117.610 114.554 -0.123 0.000 2.905 243 T HA 0.512 4.863 4.350 0.001 0.000 0.299 243 T C 0.195 174.794 174.700 -0.167 0.000 1.024 243 T CA 1.249 63.270 62.100 -0.132 0.000 1.151 243 T CB 0.458 69.272 68.868 -0.090 0.000 0.987 243 T HN 1.123 nan 8.240 nan 0.000 0.535 244 A N 2.106 124.820 122.820 -0.176 0.000 2.581 244 A HA 0.822 5.142 4.320 0.001 0.000 0.290 244 A C 1.045 178.542 177.584 -0.144 0.000 1.119 244 A CA -0.194 51.734 52.037 -0.181 0.000 0.670 244 A CB 0.268 19.118 19.000 -0.249 0.000 1.280 244 A HN 0.765 nan 8.150 nan 0.000 0.425 245 A N -0.382 122.363 122.820 -0.125 0.000 1.898 245 A HA 0.341 4.662 4.320 0.001 0.000 0.216 245 A C 1.347 178.871 177.584 -0.100 0.000 1.181 245 A CA 2.463 54.442 52.037 -0.098 0.000 0.620 245 A CB -0.799 18.154 19.000 -0.077 0.000 0.819 245 A HN 1.979 nan 8.150 nan 0.000 0.442 246 T N -5.609 108.876 114.554 -0.114 0.000 2.926 246 T HA 0.521 4.871 4.350 0.001 0.000 0.289 246 T C 0.643 175.254 174.700 -0.149 0.000 1.054 246 T CA -0.137 61.899 62.100 -0.107 0.000 1.015 246 T CB 1.302 70.124 68.868 -0.077 0.000 1.167 246 T HN -0.016 nan 8.240 nan 0.000 0.526 247 M N 0.626 120.139 119.600 -0.145 0.000 2.099 247 M HA 0.073 4.553 4.480 0.001 0.000 0.262 247 M C 1.905 178.089 176.300 -0.193 0.000 1.067 247 M CA 1.714 56.873 55.300 -0.235 0.000 1.124 247 M CB -1.136 31.352 32.600 -0.187 0.000 1.353 247 M HN 0.820 nan 8.290 nan 0.000 0.410 248 E N -0.008 120.169 120.200 -0.039 0.000 2.049 248 E HA -0.255 4.096 4.350 0.001 0.000 0.198 248 E C 1.994 178.581 176.600 -0.022 0.000 1.007 248 E CA 1.810 58.240 56.400 0.049 0.000 0.809 248 E CB -0.458 29.258 29.700 0.027 0.000 0.749 248 E HN 0.508 nan 8.360 nan 0.000 0.450 249 E N 0.161 120.301 120.200 -0.100 0.000 2.085 249 E HA -0.146 4.205 4.350 0.001 0.000 0.194 249 E C 1.930 178.363 176.600 -0.278 0.000 0.994 249 E CA 1.334 57.629 56.400 -0.175 0.000 0.801 249 E CB -0.170 29.420 29.700 -0.184 0.000 0.743 249 E HN 0.273 nan 8.360 nan 0.000 0.453 250 M N -0.939 118.489 119.600 -0.287 0.000 2.117 250 M HA -0.182 4.298 4.480 0.001 0.000 0.262 250 M C 1.800 177.888 176.300 -0.353 0.000 1.065 250 M CA 1.332 56.414 55.300 -0.362 0.000 1.114 250 M CB -0.361 32.002 32.600 -0.395 0.000 1.361 250 M HN 0.186 nan 8.290 nan 0.000 0.408 251 Y N 0.167 120.286 120.300 -0.301 0.000 2.181 251 Y HA -0.149 4.402 4.550 0.001 0.000 0.288 251 Y C 2.671 178.425 175.900 -0.244 0.000 1.146 251 Y CA 1.280 59.183 58.100 -0.328 0.000 1.164 251 Y CB -1.167 37.185 38.460 -0.179 0.000 0.982 251 Y HN 0.227 nan 8.280 nan 0.000 0.515 252 A N 0.179 122.989 122.820 -0.016 0.000 1.908 252 A HA -0.232 4.089 4.320 0.001 0.000 0.218 252 A C 2.338 179.878 177.584 -0.075 0.000 1.181 252 A CA 1.954 53.982 52.037 -0.015 0.000 0.627 252 A CB -0.547 18.437 19.000 -0.027 0.000 0.818 252 A HN 0.430 nan 8.150 nan 0.000 0.445 253 R N -0.797 119.469 120.500 -0.391 0.000 2.073 253 R HA 0.037 4.378 4.340 0.001 0.000 0.229 253 R C 2.534 178.839 176.300 0.008 0.000 1.120 253 R CA 1.043 56.841 56.100 -0.504 0.000 0.967 253 R CB -0.428 29.364 30.300 -0.846 0.000 0.862 253 R HN 0.501 nan 8.270 nan 0.000 0.436 254 A N 1.554 124.259 122.820 -0.191 0.000 1.877 254 A HA -0.201 4.120 4.320 0.001 0.000 0.216 254 A C 1.739 179.299 177.584 -0.040 0.000 1.186 254 A CA 1.710 53.536 52.037 -0.352 0.000 0.620 254 A CB -0.701 17.645 19.000 -1.090 0.000 0.822 254 A HN 0.379 nan 8.150 nan 0.000 0.443 255 N N -1.593 117.159 118.700 0.086 0.000 2.166 255 N HA -0.130 4.611 4.740 0.001 0.000 0.186 255 N C 1.475 177.240 175.510 0.424 0.000 1.019 255 N CA 1.350 54.612 53.050 0.353 0.000 0.856 255 N CB -0.230 38.422 38.487 0.276 0.000 0.993 255 N HN 0.479 nan 8.380 nan 0.000 0.426 256 F N 1.818 121.928 119.950 0.266 0.000 2.146 256 F HA 0.044 4.573 4.527 0.002 0.000 0.298 256 F C 2.197 178.218 175.800 0.368 0.000 1.096 256 F CA 0.814 59.012 58.000 0.330 0.000 1.275 256 F CB -0.666 38.608 39.000 0.457 0.000 1.008 256 F HN -0.031 nan 8.300 nan 0.000 0.480 257 A N 0.400 123.475 122.820 0.425 0.000 1.902 257 A HA -0.230 4.091 4.320 0.001 0.000 0.217 257 A C 2.410 180.095 177.584 0.168 0.000 1.181 257 A CA 1.815 53.968 52.037 0.194 0.000 0.623 257 A CB -0.855 18.244 19.000 0.165 0.000 0.818 257 A HN 0.405 nan 8.150 nan 0.000 0.443 258 K N -0.080 120.500 120.400 0.300 0.000 2.026 258 K HA -0.212 4.109 4.320 0.001 0.000 0.208 258 K C 1.891 178.590 176.600 0.164 0.000 1.048 258 K CA 1.836 58.291 56.287 0.279 0.000 0.929 258 K CB -0.253 32.495 32.500 0.414 0.000 0.713 258 K HN 0.629 nan 8.250 nan 0.000 0.439 259 E N 0.554 120.861 120.200 0.179 0.000 2.038 259 E HA -0.173 4.177 4.350 0.001 0.000 0.195 259 E C 1.980 178.602 176.600 0.036 0.000 1.000 259 E CA 1.476 57.954 56.400 0.130 0.000 0.803 259 E CB -0.100 29.735 29.700 0.225 0.000 0.750 259 E HN 0.323 nan 8.360 nan 0.000 0.448 260 L N -0.629 120.554 121.223 -0.068 0.000 2.549 260 L HA 0.017 4.358 4.340 0.001 0.000 0.229 260 L C 1.495 178.345 176.870 -0.033 0.000 1.158 260 L CA 0.560 55.333 54.840 -0.112 0.000 0.842 260 L CB -0.265 41.634 42.059 -0.266 0.000 0.952 260 L HN 0.396 nan 8.230 nan 0.000 0.452 261 G N -0.411 108.394 108.800 0.009 0.000 2.157 261 G HA2 -0.289 3.672 3.960 0.001 0.000 0.248 261 G HA3 -0.289 3.672 3.960 0.001 0.000 0.248 261 G C 0.414 175.339 174.900 0.041 0.000 0.979 261 G CA 0.337 45.455 45.100 0.029 0.000 0.650 261 G HN 0.331 nan 8.290 nan 0.000 0.529 262 S N -0.855 114.868 115.700 0.039 0.000 2.558 262 S HA 0.256 4.727 4.470 0.001 0.000 0.293 262 S C 1.580 176.226 174.600 0.076 0.000 1.292 262 S CA 0.566 58.800 58.200 0.056 0.000 1.063 262 S CB 1.410 64.628 63.200 0.031 0.000 0.831 262 S HN 1.285 nan 8.310 nan 0.000 0.499 263 V N 6.114 126.086 119.914 0.096 0.000 3.541 263 V HA 0.456 4.576 4.120 0.001 0.000 0.267 263 V C 0.448 176.585 176.094 0.071 0.000 1.213 263 V CA 0.853 63.212 62.300 0.097 0.000 1.149 263 V CB -0.737 31.172 31.823 0.142 0.000 0.822 263 V HN 0.755 nan 8.190 nan 0.000 0.462 264 I N 0.029 120.626 120.570 0.045 0.000 2.908 264 I HA 0.438 4.609 4.170 0.001 0.000 0.300 264 I C -1.475 174.595 176.117 -0.078 0.000 1.385 264 I CA -0.957 60.301 61.300 -0.070 0.000 1.004 264 I CB 2.279 40.147 38.000 -0.220 0.000 1.309 264 I HN 0.157 nan 8.210 nan 0.000 0.449 265 I N 3.385 123.878 120.570 -0.129 0.000 3.264 265 I HA 0.682 4.853 4.170 0.001 0.000 0.315 265 I C -1.324 174.706 176.117 -0.146 0.000 1.154 265 I CA -0.971 60.272 61.300 -0.094 0.000 0.962 265 I CB 2.323 40.313 38.000 -0.018 0.000 1.265 265 I HN 0.731 nan 8.210 nan 0.000 0.463 266 M N 3.012 122.576 119.600 -0.059 0.000 2.631 266 M HA 0.820 5.301 4.480 0.001 0.000 0.288 266 M C -1.465 174.842 176.300 0.011 0.000 1.260 266 M CA -0.767 54.542 55.300 0.015 0.000 0.842 266 M CB 2.883 35.584 32.600 0.170 0.000 1.743 266 M HN 0.759 nan 8.290 nan 0.000 0.461 267 I N -1.850 118.732 120.570 0.019 0.000 2.994 267 I HA 0.687 4.858 4.170 0.001 0.000 0.306 267 I C -1.665 174.452 176.117 -0.000 0.000 1.195 267 I CA -0.844 60.443 61.300 -0.021 0.000 1.001 267 I CB 2.436 40.403 38.000 -0.055 0.000 1.244 267 I HN 0.601 nan 8.210 nan 0.000 0.437 271 V N 1.847 121.753 119.914 -0.014 0.000 3.141 271 V HA -0.092 4.028 4.120 0.001 0.000 0.265 271 V C 2.251 178.303 176.094 -0.069 0.000 1.126 271 V CA 1.792 64.067 62.300 -0.042 0.000 1.141 271 V CB -0.301 31.498 31.823 -0.040 0.000 0.743 271 V HN 0.526 nan 8.190 nan 0.000 0.492 272 I N -1.362 119.167 120.570 -0.069 0.000 2.676 272 I HA 0.402 4.572 4.170 0.001 0.000 0.259 272 I C 1.001 177.059 176.117 -0.098 0.000 1.194 272 I CA 0.956 62.205 61.300 -0.085 0.000 1.473 272 I CB -0.548 37.398 38.000 -0.091 0.000 1.096 272 I HN 0.295 nan 8.210 nan 0.000 0.443 273 G N -0.003 108.729 108.800 -0.114 0.000 2.617 273 G HA2 -0.195 3.766 3.960 0.001 0.000 0.686 273 G HA3 -0.195 3.766 3.960 0.001 0.000 0.686 273 G C -0.378 174.492 174.900 -0.051 0.000 1.214 273 G CA -0.197 44.797 45.100 -0.178 0.000 0.796 273 G HN 0.119 nan 8.290 nan 0.000 0.654 274 Y N 0.542 120.834 120.300 -0.015 0.000 2.165 274 Y HA -0.095 4.456 4.550 0.001 0.000 0.286 274 Y C 3.295 179.181 175.900 -0.023 0.000 1.155 274 Y CA 2.301 60.391 58.100 -0.017 0.000 1.164 274 Y CB -1.028 37.406 38.460 -0.043 0.000 0.978 274 Y HN 0.614 nan 8.280 nan 0.000 0.513 275 T N -0.203 114.423 114.554 0.121 0.000 2.857 275 T HA -0.082 4.269 4.350 0.001 0.000 0.266 275 T C 2.213 176.920 174.700 0.011 0.000 1.048 275 T CA 1.193 63.325 62.100 0.054 0.000 1.139 275 T CB -0.484 68.398 68.868 0.024 0.000 0.874 275 T HN 0.423 nan 8.240 nan 0.000 0.455 276 A N 0.978 123.785 122.820 -0.021 0.000 1.930 276 A HA 0.053 4.374 4.320 0.001 0.000 0.217 276 A C 2.221 179.773 177.584 -0.054 0.000 1.175 276 A CA 0.951 52.943 52.037 -0.075 0.000 0.627 276 A CB -0.661 18.276 19.000 -0.105 0.000 0.815 276 A HN 0.509 nan 8.150 nan 0.000 0.443 277 I N -0.578 119.994 120.570 0.003 0.000 2.179 277 I HA -0.308 3.862 4.170 0.001 0.000 0.242 277 I C 2.776 178.915 176.117 0.037 0.000 1.088 277 I CA 1.473 62.788 61.300 0.025 0.000 1.357 277 I CB -0.367 37.684 38.000 0.085 0.000 1.051 277 I HN 0.422 nan 8.210 nan 0.000 0.409 278 Q N -0.080 119.752 119.800 0.054 0.000 2.167 278 Q HA -0.158 4.183 4.340 0.001 0.000 0.202 278 Q C 2.220 178.255 176.000 0.058 0.000 0.970 278 Q CA 1.911 57.751 55.803 0.060 0.000 0.855 278 Q CB -0.149 28.627 28.738 0.063 0.000 0.911 278 Q HN 0.515 nan 8.270 nan 0.000 0.438 279 T N 0.780 115.355 114.554 0.034 0.000 2.746 279 T HA -0.117 4.234 4.350 0.001 0.000 0.267 279 T C 1.767 176.525 174.700 0.097 0.000 1.039 279 T CA 0.954 63.085 62.100 0.051 0.000 1.142 279 T CB -0.020 68.823 68.868 -0.042 0.000 0.866 279 T HN 0.157 nan 8.240 nan 0.000 0.444 280 M N 1.179 120.796 119.600 0.028 0.000 2.175 280 M HA 0.125 4.606 4.480 0.001 0.000 0.264 280 M C 2.798 179.211 176.300 0.189 0.000 1.063 280 M CA 1.061 56.410 55.300 0.082 0.000 1.119 280 M CB -1.555 31.026 32.600 -0.031 0.000 1.377 280 M HN 0.309 nan 8.290 nan 0.000 0.415 281 A N 0.061 122.949 122.820 0.113 0.000 1.902 281 A HA -0.209 4.112 4.320 0.001 0.000 0.217 281 A C 2.359 180.011 177.584 0.113 0.000 1.181 281 A CA 1.972 54.067 52.037 0.096 0.000 0.623 281 A CB -0.635 18.401 19.000 0.060 0.000 0.818 281 A HN 0.491 nan 8.150 nan 0.000 0.443 282 K N -1.702 118.776 120.400 0.130 0.000 2.025 282 K HA -0.217 4.104 4.320 0.001 0.000 0.207 282 K C 1.889 178.573 176.600 0.140 0.000 1.049 282 K CA 1.617 57.971 56.287 0.111 0.000 0.933 282 K CB -0.358 32.211 32.500 0.115 0.000 0.714 282 K HN 0.625 nan 8.250 nan 0.000 0.438 283 W N 1.275 122.621 121.300 0.077 0.000 2.318 283 W HA -0.287 4.374 4.660 0.001 0.000 0.313 283 W C 1.965 178.516 176.519 0.055 0.000 1.221 283 W CA 2.746 60.153 57.345 0.103 0.000 1.266 283 W CB -0.426 29.156 29.460 0.203 0.000 1.150 283 W HN 0.217 nan 8.180 nan 0.000 0.496 284 A N 0.419 123.405 122.820 0.277 0.000 1.933 284 A HA -0.212 4.109 4.320 0.001 0.000 0.218 284 A C 1.914 179.421 177.584 -0.128 0.000 1.175 284 A CA 2.108 54.178 52.037 0.055 0.000 0.628 284 A CB -0.906 18.206 19.000 0.187 0.000 0.814 284 A HN 0.345 nan 8.150 nan 0.000 0.444 285 R N 0.548 121.009 120.500 -0.065 0.000 2.096 285 R HA -0.110 4.230 4.340 0.001 0.000 0.235 285 R C 0.752 176.970 176.300 -0.137 0.000 1.127 285 R CA 2.074 58.127 56.100 -0.078 0.000 0.968 285 R CB -0.637 29.643 30.300 -0.033 0.000 0.861 285 R HN 0.411 nan 8.270 nan 0.000 0.440 286 D N -0.423 119.858 120.400 -0.197 0.000 2.355 286 D HA 0.025 4.666 4.640 0.001 0.000 0.218 286 D C 0.066 176.154 176.300 -0.353 0.000 1.004 286 D CA 0.558 54.418 54.000 -0.233 0.000 0.880 286 D CB 0.112 40.788 40.800 -0.207 0.000 0.911 286 D HN 0.273 nan 8.370 nan 0.000 0.528 287 N N 1.142 119.533 118.700 -0.515 0.000 2.365 287 N HA -0.015 4.725 4.740 0.001 0.000 0.257 287 N C -0.878 174.417 175.510 -0.359 0.000 1.287 287 N CA -0.062 52.645 53.050 -0.571 0.000 0.882 287 N CB 1.055 38.832 38.487 -1.183 0.000 1.250 287 N HN 0.021 nan 8.380 nan 0.000 0.507 288 D N 1.080 121.342 120.400 -0.230 0.000 2.704 288 D HA -0.229 4.412 4.640 0.001 0.000 0.232 288 D C -0.113 176.130 176.300 -0.094 0.000 1.183 288 D CA 0.810 54.734 54.000 -0.125 0.000 0.647 288 D CB -0.769 39.980 40.800 -0.085 0.000 1.013 288 D HN 0.305 nan 8.370 nan 0.000 0.415 289 M N 0.419 119.960 119.600 -0.098 0.000 2.464 289 M HA 0.438 4.919 4.480 0.001 0.000 0.308 289 M C -0.978 175.312 176.300 -0.017 0.000 1.127 289 M CA -0.666 54.625 55.300 -0.015 0.000 0.913 289 M CB 1.858 34.510 32.600 0.086 0.000 1.689 289 M HN 0.061 nan 8.290 nan 0.000 0.445 290 I N 4.567 125.108 120.570 -0.049 0.000 2.496 290 I HA 0.191 4.362 4.170 0.001 0.000 0.285 290 I C -0.807 175.186 176.117 -0.206 0.000 1.080 290 I CA -0.534 60.676 61.300 -0.151 0.000 1.404 290 I CB 0.677 38.541 38.000 -0.227 0.000 1.403 290 I HN 0.532 nan 8.210 nan 0.000 0.539 291 L N 7.896 128.991 121.223 -0.213 0.000 2.277 291 L HA 0.347 4.688 4.340 0.001 0.000 0.284 291 L C -0.445 176.253 176.870 -0.287 0.000 1.028 291 L CA -0.225 54.509 54.840 -0.176 0.000 0.835 291 L CB 0.563 42.589 42.059 -0.056 0.000 1.215 291 L HN 0.486 nan 8.230 nan 0.000 0.425 292 H N 4.176 122.981 119.070 -0.443 0.000 2.473 292 H HA 0.597 5.153 4.556 0.001 0.000 0.327 292 H C -1.287 173.951 175.328 -0.150 0.000 1.105 292 H CA -0.524 55.279 56.048 -0.409 0.000 1.280 292 H CB 1.419 30.739 29.762 -0.737 0.000 1.450 292 H HN 0.612 nan 8.280 nan 0.000 0.492 293 L N 6.090 126.917 121.223 -0.660 0.000 2.325 293 L HA 0.257 4.597 4.340 0.001 0.000 0.281 293 L C -1.329 175.256 176.870 -0.476 0.000 1.004 293 L CA -0.577 54.036 54.840 -0.379 0.000 0.823 293 L CB 0.902 42.847 42.059 -0.191 0.000 1.236 293 L HN 0.788 nan 8.230 nan 0.000 0.415 294 H N 4.605 123.473 119.070 -0.337 0.000 2.562 294 H HA 0.292 4.849 4.556 0.001 0.000 0.314 294 H C 0.297 175.438 175.328 -0.311 0.000 1.079 294 H CA -0.405 55.361 56.048 -0.470 0.000 1.349 294 H CB 1.147 30.764 29.762 -0.241 0.000 1.432 294 H HN 0.800 nan 8.280 nan 0.000 0.479 295 R N 3.252 123.458 120.500 -0.489 0.000 2.387 295 R HA 0.149 4.490 4.340 0.001 0.000 0.203 295 R C 0.714 176.997 176.300 -0.028 0.000 1.121 295 R CA 0.370 56.357 56.100 -0.188 0.000 1.129 295 R CB -0.515 29.604 30.300 -0.303 0.000 0.905 295 R HN 0.455 nan 8.270 nan 0.000 0.477 296 A N 1.600 124.578 122.820 0.264 0.000 2.568 296 A HA 0.189 4.510 4.320 0.001 0.000 0.273 296 A C 1.657 179.262 177.584 0.034 0.000 0.978 296 A CA 0.985 53.131 52.037 0.180 0.000 0.946 296 A CB -0.813 18.233 19.000 0.077 0.000 0.842 296 A HN 0.769 nan 8.150 nan 0.000 0.484 297 G N 2.425 111.214 108.800 -0.019 0.000 2.225 297 G HA2 -0.384 3.577 3.960 0.001 0.000 0.254 297 G HA3 -0.384 3.577 3.960 0.001 0.000 0.254 297 G C 1.026 175.809 174.900 -0.195 0.000 0.988 297 G CA 1.125 46.185 45.100 -0.067 0.000 0.625 297 G HN 1.200 nan 8.290 nan 0.000 0.527 298 N N 1.254 119.816 118.700 -0.231 0.000 2.037 298 N HA -0.117 4.624 4.740 0.001 0.000 0.196 298 N C 2.204 177.239 175.510 -0.793 0.000 1.034 298 N CA 2.572 55.334 53.050 -0.480 0.000 0.861 298 N CB -0.458 37.861 38.487 -0.280 0.000 1.039 298 N HN 0.396 nan 8.380 nan 0.000 0.427 299 S N -1.267 114.161 115.700 -0.453 0.000 2.528 299 S HA -0.100 4.371 4.470 0.001 0.000 0.244 299 S C 1.669 176.085 174.600 -0.307 0.000 0.982 299 S CA 1.064 59.060 58.200 -0.341 0.000 0.953 299 S CB -0.567 62.502 63.200 -0.219 0.000 0.754 299 S HN 0.456 nan 8.310 nan 0.000 0.529 300 T N 0.895 115.225 114.554 -0.373 0.000 2.929 300 T HA -0.091 4.259 4.350 0.001 0.000 0.271 300 T C 1.146 175.783 174.700 -0.105 0.000 1.085 300 T CA 1.256 63.238 62.100 -0.196 0.000 1.125 300 T CB -0.150 68.647 68.868 -0.117 0.000 0.874 300 T HN 0.851 nan 8.240 nan 0.000 0.494 301 Y N -1.752 118.566 120.300 0.030 0.000 2.590 301 Y HA 0.474 5.024 4.550 0.001 0.000 0.263 301 Y C 1.767 177.701 175.900 0.056 0.000 1.069 301 Y CA -0.116 58.013 58.100 0.048 0.000 1.242 301 Y CB -0.290 38.180 38.460 0.017 0.000 1.357 301 Y HN 0.118 nan 8.280 nan 0.000 0.556 302 S N -0.602 115.051 115.700 -0.077 0.000 2.557 302 S HA 0.252 4.723 4.470 0.001 0.000 0.223 302 S C 1.590 176.218 174.600 0.047 0.000 0.969 302 S CA -0.086 58.162 58.200 0.080 0.000 0.927 302 S CB 0.200 63.414 63.200 0.023 0.000 0.806 302 S HN 0.268 nan 8.310 nan 0.000 0.489 303 R N 1.501 122.007 120.500 0.010 0.000 2.057 303 R HA 0.268 4.609 4.340 0.001 0.000 0.224 303 R C 0.510 176.851 176.300 0.068 0.000 1.136 303 R CA 1.160 57.272 56.100 0.020 0.000 0.968 303 R CB -0.379 29.910 30.300 -0.019 0.000 0.863 303 R HN 0.323 nan 8.270 nan 0.000 0.433 304 Q N 0.682 120.537 119.800 0.091 0.000 2.306 304 Q HA 0.054 4.395 4.340 0.001 0.000 0.241 304 Q C 0.234 176.316 176.000 0.137 0.000 0.948 304 Q CA 0.180 56.048 55.803 0.108 0.000 0.886 304 Q CB 1.192 30.000 28.738 0.117 0.000 1.227 304 Q HN 0.176 nan 8.270 nan 0.000 0.457 305 K N 1.617 122.091 120.400 0.123 0.000 2.305 305 K HA -0.066 4.255 4.320 0.001 0.000 0.199 305 K C 1.087 177.772 176.600 0.141 0.000 1.047 305 K CA 0.826 57.194 56.287 0.134 0.000 0.976 305 K CB 0.375 32.940 32.500 0.108 0.000 0.765 305 K HN 0.567 nan 8.250 nan 0.000 0.474 306 N N -0.856 117.929 118.700 0.142 0.000 2.409 306 N HA -0.105 4.636 4.740 0.001 0.000 0.174 306 N C -0.150 175.501 175.510 0.235 0.000 1.037 306 N CA 0.643 53.783 53.050 0.150 0.000 0.898 306 N CB 0.054 38.614 38.487 0.122 0.000 1.010 306 N HN 0.171 nan 8.380 nan 0.000 0.445 307 H N -1.212 117.953 119.070 0.158 0.000 2.894 307 H HA 0.582 5.139 4.556 0.001 0.000 0.367 307 H C 0.132 175.614 175.328 0.257 0.000 1.144 307 H CA 0.434 56.615 56.048 0.221 0.000 1.180 307 H CB 1.676 31.552 29.762 0.190 0.000 1.758 307 H HN 0.383 nan 8.280 nan 0.000 0.541 308 G N 2.359 111.173 108.800 0.024 0.000 2.255 308 G HA2 -0.029 3.932 3.960 0.001 0.000 0.216 308 G HA3 -0.029 3.932 3.960 0.001 0.000 0.216 308 G C -1.436 173.560 174.900 0.159 0.000 1.307 308 G CA -0.376 44.808 45.100 0.139 0.000 1.162 308 G HN 0.634 nan 8.290 nan 0.000 0.494 309 M N 1.293 120.999 119.600 0.177 0.000 2.267 309 M HA 0.345 4.825 4.480 0.001 0.000 0.289 309 M C -0.342 176.060 176.300 0.171 0.000 1.043 309 M CA -0.761 54.598 55.300 0.099 0.000 0.928 309 M CB 2.111 34.635 32.600 -0.125 0.000 1.613 309 M HN 0.596 nan 8.290 nan 0.000 0.450 310 N N 1.436 120.195 118.700 0.098 0.000 2.518 310 N HA 0.044 4.785 4.740 0.001 0.000 0.266 310 N C 0.305 175.859 175.510 0.073 0.000 1.196 310 N CA 0.262 53.400 53.050 0.146 0.000 0.947 310 N CB 0.827 39.413 38.487 0.164 0.000 1.098 310 N HN 0.653 nan 8.380 nan 0.000 0.450 311 F N 4.400 124.288 119.950 -0.103 0.000 2.250 311 F HA -0.107 4.420 4.527 0.001 0.000 0.301 311 F C 2.223 177.752 175.800 -0.451 0.000 1.077 311 F CA 1.304 59.080 58.000 -0.373 0.000 1.348 311 F CB 0.049 38.600 39.000 -0.749 0.000 1.040 311 F HN 0.668 nan 8.300 nan 0.000 0.509 312 R N -0.786 119.533 120.500 -0.302 0.000 2.152 312 R HA -0.089 4.252 4.340 0.001 0.000 0.232 312 R C 1.854 177.935 176.300 -0.365 0.000 1.117 312 R CA 1.624 57.607 56.100 -0.195 0.000 0.981 312 R CB -1.415 29.036 30.300 0.250 0.000 0.870 312 R HN 0.276 nan 8.270 nan 0.000 0.451 313 V N 1.534 121.187 119.914 -0.435 0.000 2.307 313 V HA -0.200 3.921 4.120 0.001 0.000 0.245 313 V C 2.229 177.701 176.094 -1.037 0.000 1.045 313 V CA 1.501 63.369 62.300 -0.721 0.000 1.024 313 V CB -0.349 30.993 31.823 -0.803 0.000 0.651 313 V HN 0.161 nan 8.190 nan 0.000 0.449 314 I N -0.521 119.545 120.570 -0.840 0.000 2.286 314 I HA -0.207 3.964 4.170 0.001 0.000 0.248 314 I C 2.509 178.309 176.117 -0.528 0.000 1.115 314 I CA 1.246 62.196 61.300 -0.583 0.000 1.392 314 I CB -0.870 36.998 38.000 -0.219 0.000 1.065 314 I HN 0.302 nan 8.210 nan 0.000 0.418 315 C N 0.330 119.160 119.300 -0.784 0.000 2.413 315 C HA -0.197 4.264 4.460 0.001 0.000 0.276 315 C C 2.761 177.615 174.990 -0.226 0.000 1.248 315 C CA 0.899 59.581 59.018 -0.561 0.000 1.742 315 C CB -0.966 26.444 27.740 -0.549 0.000 2.017 315 C HN 0.460 nan 8.230 nan 0.000 0.481 316 K N -0.671 119.621 120.400 -0.180 0.000 2.025 316 K HA -0.153 4.167 4.320 0.001 0.000 0.207 316 K C 1.962 178.631 176.600 0.115 0.000 1.049 316 K CA 1.594 57.936 56.287 0.092 0.000 0.933 316 K CB -0.257 32.206 32.500 -0.062 0.000 0.714 316 K HN 0.511 nan 8.250 nan 0.000 0.438 317 W N 0.751 121.938 121.300 -0.188 0.000 2.338 317 W HA -0.110 4.551 4.660 0.001 0.000 0.304 317 W C 1.987 178.368 176.519 -0.230 0.000 1.212 317 W CA 0.711 57.889 57.345 -0.279 0.000 1.264 317 W CB -0.649 28.594 29.460 -0.362 0.000 1.142 317 W HN 0.103 nan 8.180 nan 0.000 0.512 318 M N -0.553 119.074 119.600 0.044 0.000 2.254 318 M HA -0.066 4.415 4.480 0.001 0.000 0.265 318 M C 2.039 178.310 176.300 -0.048 0.000 1.066 318 M CA 1.107 56.404 55.300 -0.005 0.000 1.123 318 M CB -1.295 31.292 32.600 -0.022 0.000 1.388 318 M HN 0.010 nan 8.290 nan 0.000 0.425 319 R N 0.022 120.475 120.500 -0.078 0.000 2.115 319 R HA -0.036 4.305 4.340 0.001 0.000 0.230 319 R C 1.999 178.231 176.300 -0.113 0.000 1.111 319 R CA 1.129 57.124 56.100 -0.176 0.000 0.976 319 R CB -0.076 29.979 30.300 -0.408 0.000 0.870 319 R HN 0.344 nan 8.270 nan 0.000 0.445 320 M N -0.581 118.996 119.600 -0.038 0.000 2.132 320 M HA -0.074 4.407 4.480 0.001 0.000 0.263 320 M C 2.418 178.724 176.300 0.011 0.000 1.065 320 M CA 1.711 56.951 55.300 -0.100 0.000 1.122 320 M CB -0.205 32.086 32.600 -0.515 0.000 1.365 320 M HN 0.148 nan 8.290 nan 0.000 0.411 321 A N -0.057 122.767 122.820 0.007 0.000 1.940 321 A HA 0.072 4.392 4.320 0.001 0.000 0.219 321 A C 1.853 179.472 177.584 0.059 0.000 1.176 321 A CA 1.706 53.784 52.037 0.069 0.000 0.631 321 A CB -0.934 18.090 19.000 0.041 0.000 0.814 321 A HN 0.694 nan 8.150 nan 0.000 0.446 322 G N -2.700 106.109 108.800 0.014 0.000 2.148 322 G HA2 -0.057 3.904 3.960 0.001 0.000 0.157 322 G HA3 -0.057 3.904 3.960 0.001 0.000 0.157 322 G C 0.051 174.941 174.900 -0.017 0.000 1.012 322 G CA -0.061 45.040 45.100 0.002 0.000 0.677 322 G HN 0.701 nan 8.290 nan 0.000 0.506 323 V N 0.830 120.724 119.914 -0.033 0.000 2.924 323 V HA 0.283 4.404 4.120 0.001 0.000 0.305 323 V C 1.210 177.264 176.094 -0.067 0.000 1.073 323 V CA 0.567 62.836 62.300 -0.053 0.000 1.098 323 V CB 1.405 33.191 31.823 -0.061 0.000 1.000 323 V HN 0.277 nan 8.190 nan 0.000 0.484 324 D N 0.391 120.738 120.400 -0.087 0.000 2.277 324 D HA 0.122 4.763 4.640 0.001 0.000 0.209 324 D C 0.491 176.859 176.300 0.113 0.000 0.970 324 D CA 0.941 54.910 54.000 -0.052 0.000 0.874 324 D CB 0.296 41.008 40.800 -0.146 0.000 0.982 324 D HN 0.704 nan 8.370 nan 0.000 0.504 325 H N -0.940 118.045 119.070 -0.141 0.000 2.821 325 H HA 0.637 5.194 4.556 0.001 0.000 0.373 325 H C -0.910 174.276 175.328 -0.236 0.000 1.165 325 H CA -0.836 55.133 56.048 -0.133 0.000 1.154 325 H CB 3.153 32.919 29.762 0.006 0.000 1.765 325 H HN -0.162 nan 8.280 nan 0.000 0.549 326 I N 1.392 121.949 120.570 -0.021 0.000 2.710 326 I HA 0.084 4.255 4.170 0.001 0.000 0.290 326 I C -0.838 175.335 176.117 0.094 0.000 1.318 326 I CA -0.415 60.863 61.300 -0.036 0.000 1.045 326 I CB 1.774 39.766 38.000 -0.013 0.000 1.307 326 I HN 0.724 nan 8.210 nan 0.000 0.424 327 H N 6.529 125.539 119.070 -0.101 0.000 3.091 327 H HA 0.214 4.771 4.556 0.001 0.000 0.289 327 H C 0.444 175.730 175.328 -0.069 0.000 0.995 327 H CA 0.327 56.315 56.048 -0.101 0.000 1.461 327 H CB 1.063 30.690 29.762 -0.226 0.000 1.510 327 H HN 0.672 nan 8.280 nan 0.000 0.546 328 A N 3.511 126.386 122.820 0.091 0.000 2.469 328 A HA 0.428 4.749 4.320 0.001 0.000 0.245 328 A C 1.038 178.812 177.584 0.317 0.000 1.221 328 A CA 0.283 52.456 52.037 0.227 0.000 0.946 328 A CB 0.506 19.562 19.000 0.093 0.000 1.049 328 A HN 0.945 nan 8.150 nan 0.000 0.529 329 G N -0.821 108.070 108.800 0.152 0.000 2.629 329 G HA2 0.360 4.321 3.960 0.001 0.000 0.686 329 G HA3 0.360 4.321 3.960 0.001 0.000 0.686 329 G C -0.327 174.638 174.900 0.109 0.000 1.232 329 G CA -0.235 44.934 45.100 0.115 0.000 0.803 329 G HN 1.528 nan 8.290 nan 0.000 0.638 330 T N -1.896 112.646 114.554 -0.019 0.000 2.887 330 T HA 0.714 5.064 4.350 0.001 0.000 0.288 330 T C 1.021 175.656 174.700 -0.109 0.000 1.021 330 T CA 0.087 62.146 62.100 -0.069 0.000 1.000 330 T CB 2.082 70.875 68.868 -0.125 0.000 1.034 330 T HN 1.207 nan 8.240 nan 0.000 0.467 331 V N 1.927 121.742 119.914 -0.166 0.000 2.599 331 V HA -0.004 4.117 4.120 0.001 0.000 0.245 331 V C 2.348 178.333 176.094 -0.182 0.000 1.046 331 V CA 1.313 63.449 62.300 -0.274 0.000 1.065 331 V CB 0.133 31.562 31.823 -0.656 0.000 0.703 331 V HN 0.916 nan 8.190 nan 0.000 0.464 332 V N -1.298 118.556 119.914 -0.100 0.000 3.577 332 V HA 0.513 4.634 4.120 0.001 0.000 0.294 332 V C 0.988 177.142 176.094 0.099 0.000 1.317 332 V CA 0.376 62.688 62.300 0.020 0.000 1.169 332 V CB -0.867 30.989 31.823 0.054 0.000 1.011 332 V HN 0.266 nan 8.190 nan 0.000 0.426 333 G N 1.377 110.152 108.800 -0.041 0.000 2.510 333 G HA2 0.312 4.273 3.960 0.001 0.000 0.280 333 G HA3 0.312 4.273 3.960 0.001 0.000 0.280 333 G C 0.639 175.235 174.900 -0.508 0.000 1.386 333 G CA -0.130 44.848 45.100 -0.204 0.000 1.047 333 G HN 0.532 nan 8.290 nan 0.000 0.527 334 K N -1.271 118.574 120.400 -0.925 0.000 2.487 334 K HA 0.189 4.510 4.320 0.001 0.000 0.192 334 K C -0.186 176.166 176.600 -0.414 0.000 1.027 334 K CA 0.010 55.702 56.287 -0.991 0.000 1.054 334 K CB -0.058 31.847 32.500 -0.993 0.000 0.824 334 K HN 0.048 nan 8.250 nan 0.000 0.510 335 L N 1.964 123.015 121.223 -0.286 0.000 2.342 335 L HA 0.293 4.634 4.340 0.001 0.000 0.271 335 L C -0.352 176.444 176.870 -0.123 0.000 1.008 335 L CA -1.222 53.507 54.840 -0.186 0.000 0.818 335 L CB 1.442 43.399 42.059 -0.170 0.000 1.296 335 L HN 0.136 nan 8.230 nan 0.000 0.427 336 E N 1.324 121.466 120.200 -0.096 0.000 2.829 336 E HA 0.298 4.649 4.350 0.001 0.000 0.264 336 E C 0.071 176.655 176.600 -0.026 0.000 0.922 336 E CA 1.059 57.431 56.400 -0.048 0.000 0.960 336 E CB 0.258 29.936 29.700 -0.038 0.000 0.918 336 E HN 0.715 nan 8.360 nan 0.000 0.497 337 G N 4.169 112.958 108.800 -0.018 0.000 3.747 337 G HA2 0.107 4.068 3.960 0.001 0.000 0.289 337 G HA3 0.107 4.068 3.960 0.001 0.000 0.289 337 G C -1.258 173.588 174.900 -0.089 0.000 3.650 337 G CA -0.515 44.568 45.100 -0.030 0.000 0.560 337 G HN 0.660 nan 8.290 nan 0.000 0.267 338 D N 3.175 123.531 120.400 -0.074 0.000 2.417 338 D HA 0.278 4.919 4.640 0.001 0.000 0.250 338 D C 0.034 176.224 176.300 -0.182 0.000 1.166 338 D CA -1.246 52.691 54.000 -0.105 0.000 0.881 338 D CB 1.832 42.591 40.800 -0.068 0.000 1.164 338 D HN 0.149 nan 8.370 nan 0.000 0.467 339 P HA -0.206 nan 4.420 nan 0.000 0.216 339 P C 1.175 178.377 177.300 -0.162 0.000 1.153 339 P CA 1.232 64.169 63.100 -0.272 0.000 0.858 339 P CB 0.147 31.687 31.700 -0.267 0.000 0.789 340 I N -0.872 119.628 120.570 -0.117 0.000 2.406 340 I HA -0.130 4.041 4.170 0.001 0.000 0.249 340 I C 2.639 178.642 176.117 -0.190 0.000 1.122 340 I CA 1.006 62.241 61.300 -0.109 0.000 1.431 340 I CB -0.984 36.979 38.000 -0.062 0.000 1.087 340 I HN -0.180 nan 8.210 nan 0.000 0.424 341 I N 0.622 121.048 120.570 -0.240 0.000 2.226 341 I HA -0.236 3.935 4.170 0.001 0.000 0.245 341 I C 2.419 178.041 176.117 -0.825 0.000 1.100 341 I CA 1.673 62.724 61.300 -0.415 0.000 1.374 341 I CB -1.620 36.196 38.000 -0.307 0.000 1.057 341 I HN 0.255 nan 8.210 nan 0.000 0.413 342 T N 0.613 114.805 114.554 -0.604 0.000 2.788 342 T HA -0.198 4.153 4.350 0.001 0.000 0.268 342 T C 2.054 176.601 174.700 -0.256 0.000 1.044 342 T CA 1.116 62.934 62.100 -0.469 0.000 1.139 342 T CB -0.282 68.469 68.868 -0.196 0.000 0.867 342 T HN 0.279 nan 8.240 nan 0.000 0.454 343 R N 0.796 121.150 120.500 -0.243 0.000 2.105 343 R HA -0.102 4.239 4.340 0.001 0.000 0.239 343 R C 2.646 178.930 176.300 -0.026 0.000 1.135 343 R CA 1.648 57.670 56.100 -0.129 0.000 0.967 343 R CB -0.781 29.453 30.300 -0.110 0.000 0.861 343 R HN 0.470 nan 8.270 nan 0.000 0.442 344 G N 0.281 109.000 108.800 -0.134 0.000 2.421 344 G HA2 -0.247 3.714 3.960 0.001 0.000 0.216 344 G HA3 -0.247 3.714 3.960 0.001 0.000 0.216 344 G C 1.434 176.431 174.900 0.161 0.000 1.171 344 G CA 0.726 45.802 45.100 -0.040 0.000 0.775 344 G HN 0.352 nan 8.290 nan 0.000 0.543 345 F N -0.649 119.404 119.950 0.173 0.000 2.095 345 F HA -0.115 4.413 4.527 0.001 0.000 0.298 345 F C 2.616 178.524 175.800 0.181 0.000 1.104 345 F CA 0.742 58.849 58.000 0.179 0.000 1.232 345 F CB -0.398 38.793 39.000 0.317 0.000 0.987 345 F HN 0.032 nan 8.300 nan 0.000 0.475 346 Y N 0.948 121.381 120.300 0.222 0.000 2.165 346 Y HA -0.224 4.327 4.550 0.001 0.000 0.286 346 Y C 2.282 178.230 175.900 0.080 0.000 1.155 346 Y CA 1.230 59.403 58.100 0.122 0.000 1.164 346 Y CB -0.774 37.733 38.460 0.079 0.000 0.978 346 Y HN -0.034 nan 8.280 nan 0.000 0.513 347 K N -0.866 119.675 120.400 0.236 0.000 2.057 347 K HA -0.137 4.184 4.320 0.001 0.000 0.207 347 K C 1.973 178.667 176.600 0.157 0.000 1.049 347 K CA 1.847 58.228 56.287 0.157 0.000 0.931 347 K CB -0.487 32.089 32.500 0.127 0.000 0.714 347 K HN 0.222 nan 8.250 nan 0.000 0.440 348 T N 1.912 116.581 114.554 0.192 0.000 2.778 348 T HA -0.127 4.224 4.350 0.001 0.000 0.269 348 T C 1.780 176.555 174.700 0.125 0.000 1.050 348 T CA 1.160 63.413 62.100 0.254 0.000 1.137 348 T CB -0.114 68.881 68.868 0.211 0.000 0.860 348 T HN 0.127 nan 8.240 nan 0.000 0.468 349 L N -0.463 120.753 121.223 -0.012 0.000 2.249 349 L HA 0.118 4.459 4.340 0.001 0.000 0.207 349 L C 2.036 178.777 176.870 -0.214 0.000 1.090 349 L CA 0.326 55.062 54.840 -0.173 0.000 0.802 349 L CB -0.178 41.781 42.059 -0.166 0.000 0.947 349 L HN 0.186 nan 8.230 nan 0.000 0.453 350 L N -0.818 120.343 121.223 -0.104 0.000 2.269 350 L HA 0.152 4.493 4.340 0.001 0.000 0.200 350 L C 0.832 177.662 176.870 -0.067 0.000 1.069 350 L CA 0.538 55.328 54.840 -0.082 0.000 0.804 350 L CB -0.666 41.389 42.059 -0.006 0.000 0.987 350 L HN 0.074 nan 8.230 nan 0.000 0.468 351 L N 2.133 123.360 121.223 0.007 0.000 2.514 351 L HA 0.028 4.369 4.340 0.001 0.000 0.280 351 L C -1.035 175.887 176.870 0.085 0.000 1.223 351 L CA -0.252 54.627 54.840 0.066 0.000 0.864 351 L CB -0.386 41.752 42.059 0.131 0.000 1.118 351 L HN 0.043 nan 8.230 nan 0.000 0.494 352 P HA -0.044 nan 4.420 nan 0.000 0.235 352 P C -0.166 177.291 177.300 0.261 0.000 1.177 352 P CA 0.588 63.775 63.100 0.144 0.000 0.785 352 P CB 0.575 32.327 31.700 0.087 0.000 0.885 353 K N -0.241 120.302 120.400 0.238 0.000 2.542 353 K HA 0.441 4.762 4.320 0.001 0.000 0.259 353 K C -1.794 174.907 176.600 0.169 0.000 0.932 353 K CA -0.806 55.595 56.287 0.190 0.000 0.820 353 K CB 1.525 34.089 32.500 0.107 0.000 1.345 353 K HN -0.273 nan 8.250 nan 0.000 0.432 354 L N 2.813 124.104 121.223 0.113 0.000 2.325 354 L HA 0.467 4.807 4.340 0.001 0.000 0.278 354 L C -0.514 176.385 176.870 0.050 0.000 1.023 354 L CA -0.111 54.783 54.840 0.090 0.000 0.811 354 L CB 1.629 43.728 42.059 0.068 0.000 1.249 354 L HN 0.667 nan 8.230 nan 0.000 0.431 355 E N 2.289 122.513 120.200 0.040 0.000 2.187 355 E HA 0.352 4.703 4.350 0.001 0.000 0.268 355 E C -0.629 175.964 176.600 -0.013 0.000 0.896 355 E CA -1.023 55.387 56.400 0.016 0.000 0.766 355 E CB 2.098 31.803 29.700 0.009 0.000 1.142 355 E HN 0.347 nan 8.360 nan 0.000 0.408 356 R N 2.723 123.208 120.500 -0.025 0.000 2.566 356 R HA -0.060 4.281 4.340 0.001 0.000 0.273 356 R C -0.450 175.766 176.300 -0.140 0.000 0.981 356 R CA 0.705 56.753 56.100 -0.086 0.000 1.091 356 R CB 0.242 30.494 30.300 -0.080 0.000 0.924 356 R HN 0.441 nan 8.270 nan 0.000 0.411 357 N N 5.420 123.983 118.700 -0.229 0.000 2.875 357 N HA 0.011 4.752 4.740 0.001 0.000 0.253 357 N C 0.254 175.533 175.510 -0.385 0.000 1.296 357 N CA -0.383 52.523 53.050 -0.240 0.000 0.816 357 N CB 0.794 39.194 38.487 -0.145 0.000 1.504 357 N HN 0.422 nan 8.380 nan 0.000 0.582 358 L N 2.327 123.235 121.223 -0.525 0.000 2.131 358 L HA -0.106 4.235 4.340 0.001 0.000 0.210 358 L C 2.013 178.690 176.870 -0.321 0.000 1.092 358 L CA 1.608 55.986 54.840 -0.769 0.000 0.759 358 L CB -1.009 40.303 42.059 -1.245 0.000 0.903 358 L HN 0.606 nan 8.230 nan 0.000 0.435 359 Q N -0.178 119.522 119.800 -0.166 0.000 2.170 359 Q HA -0.180 4.161 4.340 0.001 0.000 0.203 359 Q C 1.962 177.924 176.000 -0.063 0.000 0.976 359 Q CA 1.359 57.143 55.803 -0.033 0.000 0.858 359 Q CB -0.037 28.684 28.738 -0.028 0.000 0.907 359 Q HN 0.597 nan 8.270 nan 0.000 0.433 360 E N -1.028 119.097 120.200 -0.126 0.000 2.190 360 E HA 0.039 4.390 4.350 0.001 0.000 0.191 360 E C 0.903 177.430 176.600 -0.123 0.000 0.978 360 E CA 0.489 56.816 56.400 -0.123 0.000 0.839 360 E CB 0.485 30.117 29.700 -0.113 0.000 0.787 360 E HN 0.468 nan 8.360 nan 0.000 0.473 361 G N 0.810 109.485 108.800 -0.208 0.000 2.168 361 G HA2 -0.182 3.779 3.960 0.001 0.000 0.197 361 G HA3 -0.182 3.779 3.960 0.001 0.000 0.197 361 G C -0.266 174.547 174.900 -0.145 0.000 0.997 361 G CA -0.446 44.553 45.100 -0.168 0.000 0.658 361 G HN 0.018 nan 8.290 nan 0.000 0.513 362 L N 1.675 122.764 121.223 -0.224 0.000 2.302 362 L HA 0.599 4.940 4.340 0.001 0.000 0.285 362 L C 1.170 177.889 176.870 -0.252 0.000 1.090 362 L CA -0.406 54.376 54.840 -0.097 0.000 0.866 362 L CB -0.038 41.996 42.059 -0.042 0.000 1.244 362 L HN 0.079 nan 8.230 nan 0.000 0.435 363 F N 1.525 121.278 119.950 -0.329 0.000 2.558 363 F HA 0.097 4.624 4.527 0.001 0.000 0.298 363 F C 0.621 176.089 175.800 -0.554 0.000 1.119 363 F CA 0.275 57.955 58.000 -0.534 0.000 1.451 363 F CB -0.292 38.200 39.000 -0.847 0.000 1.091 363 F HN 0.154 nan 8.300 nan 0.000 0.563 364 F N -0.565 119.472 119.950 0.145 0.000 2.538 364 F HA 0.370 4.898 4.527 0.001 0.000 0.325 364 F C 0.113 175.924 175.800 0.018 0.000 1.066 364 F CA -1.724 56.334 58.000 0.096 0.000 0.946 364 F CB 0.605 39.652 39.000 0.078 0.000 1.199 364 F HN -0.391 nan 8.300 nan 0.000 0.473 365 D N 2.168 122.701 120.400 0.222 0.000 2.302 365 D HA 0.399 5.040 4.640 0.001 0.000 0.248 365 D C -0.680 175.658 176.300 0.064 0.000 1.094 365 D CA 0.204 54.263 54.000 0.098 0.000 0.897 365 D CB 1.390 42.233 40.800 0.073 0.000 1.200 365 D HN 0.463 nan 8.370 nan 0.000 0.429 366 M N 2.205 121.796 119.600 -0.014 0.000 2.221 366 M HA 0.120 4.600 4.480 0.001 0.000 0.259 366 M C -1.114 175.079 176.300 -0.178 0.000 1.001 366 M CA -0.635 54.584 55.300 -0.135 0.000 1.009 366 M CB 1.514 33.961 32.600 -0.255 0.000 1.939 366 M HN 0.111 nan 8.290 nan 0.000 0.477 367 E N 2.434 122.558 120.200 -0.127 0.000 2.398 367 E HA -0.002 4.349 4.350 0.001 0.000 0.263 367 E C -0.539 175.988 176.600 -0.121 0.000 1.046 367 E CA 0.521 56.891 56.400 -0.051 0.000 0.908 367 E CB 0.873 30.567 29.700 -0.010 0.000 0.963 367 E HN 0.808 nan 8.360 nan 0.000 0.431 368 W N 0.363 121.666 121.300 0.005 0.000 3.239 368 W HA 0.261 4.922 4.660 0.002 0.000 0.368 368 W C 0.842 177.358 176.519 -0.004 0.000 1.154 368 W CA 0.365 57.706 57.345 -0.007 0.000 1.860 368 W CB 0.352 29.807 29.460 -0.009 0.000 1.094 368 W HN 0.787 nan 8.180 nan 0.000 0.643 369 A N 0.242 123.189 122.820 0.211 0.000 2.798 369 A HA -0.334 3.987 4.320 0.001 0.000 0.282 369 A C 1.321 178.993 177.584 0.147 0.000 1.464 369 A CA 1.236 53.365 52.037 0.153 0.000 0.844 369 A CB -1.943 17.141 19.000 0.140 0.000 1.006 369 A HN 0.629 nan 8.150 nan 0.000 0.577 370 S N -3.129 112.662 115.700 0.151 0.000 3.380 370 S HA -0.221 4.250 4.470 0.001 0.000 0.300 370 S C 0.400 175.040 174.600 0.066 0.000 1.255 370 S CA 1.204 59.460 58.200 0.094 0.000 0.963 370 S CB -1.810 61.429 63.200 0.066 0.000 1.106 370 S HN 1.079 nan 8.310 nan 0.000 0.629 371 L N 1.452 122.730 121.223 0.093 0.000 2.456 371 L HA 0.213 4.553 4.340 0.001 0.000 0.272 371 L C 1.335 178.146 176.870 -0.099 0.000 1.189 371 L CA -0.074 54.775 54.840 0.015 0.000 0.846 371 L CB 0.273 42.362 42.059 0.050 0.000 1.111 371 L HN 0.248 nan 8.230 nan 0.000 0.475 372 R N 2.022 122.465 120.500 -0.094 0.000 2.811 372 R HA 0.055 4.396 4.340 0.001 0.000 0.265 372 R C -0.282 175.894 176.300 -0.206 0.000 1.026 372 R CA -0.041 55.991 56.100 -0.112 0.000 1.142 372 R CB 0.289 30.548 30.300 -0.069 0.000 1.027 372 R HN 0.476 nan 8.270 nan 0.000 0.465 373 K N 0.701 121.000 120.400 -0.169 0.000 2.174 373 K HA 0.238 4.558 4.320 0.001 0.000 0.275 373 K C -0.557 175.944 176.600 -0.164 0.000 1.015 373 K CA -0.538 55.624 56.287 -0.208 0.000 0.933 373 K CB 1.247 33.666 32.500 -0.135 0.000 1.025 373 K HN 0.148 nan 8.250 nan 0.000 0.463 374 V N 3.284 123.078 119.914 -0.201 0.000 2.539 374 V HA 0.173 4.294 4.120 0.001 0.000 0.292 374 V C -0.158 175.869 176.094 -0.112 0.000 1.045 374 V CA -0.761 61.457 62.300 -0.136 0.000 0.945 374 V CB 1.380 33.103 31.823 -0.167 0.000 0.993 374 V HN 0.713 nan 8.190 nan 0.000 0.464 375 M N 9.659 129.227 119.600 -0.052 0.000 2.108 375 M HA 0.409 4.890 4.480 0.001 0.000 0.347 375 M C -2.402 173.790 176.300 -0.179 0.000 1.326 375 M CA -1.797 53.436 55.300 -0.111 0.000 1.126 375 M CB 0.928 33.449 32.600 -0.131 0.000 1.606 375 M HN 0.335 nan 8.290 nan 0.000 0.462 376 P HA 0.158 nan 4.420 nan 0.000 0.272 376 P C -1.226 175.937 177.300 -0.228 0.000 1.223 376 P CA -0.305 62.576 63.100 -0.365 0.000 0.784 376 P CB 0.846 31.987 31.700 -0.932 0.000 0.923 377 V N 1.528 121.358 119.914 -0.140 0.000 2.531 377 V HA 0.544 4.665 4.120 0.001 0.000 0.301 377 V C 0.073 176.096 176.094 -0.118 0.000 1.034 377 V CA -0.826 61.417 62.300 -0.096 0.000 0.865 377 V CB 1.722 33.541 31.823 -0.005 0.000 0.995 377 V HN 0.711 nan 8.190 nan 0.000 0.424 378 A N 3.460 126.218 122.820 -0.102 0.000 2.258 378 A HA 0.845 5.166 4.320 0.001 0.000 0.316 378 A C -0.122 177.303 177.584 -0.266 0.000 1.279 378 A CA -0.304 51.666 52.037 -0.112 0.000 0.876 378 A CB 1.104 20.081 19.000 -0.038 0.000 1.170 378 A HN 0.848 nan 8.150 nan 0.000 0.520 379 S N 1.730 117.250 115.700 -0.300 0.000 2.536 379 S HA 0.771 5.242 4.470 0.001 0.000 0.271 379 S C -0.468 173.991 174.600 -0.235 0.000 1.134 379 S CA 0.362 58.371 58.200 -0.318 0.000 0.897 379 S CB 1.393 64.345 63.200 -0.414 0.000 1.094 379 S HN 2.544 nan 8.310 nan 0.000 0.473 380 G N 1.794 110.459 108.800 -0.224 0.000 2.949 380 G HA2 0.443 4.403 3.960 0.001 0.000 0.658 380 G HA3 0.443 4.403 3.960 0.001 0.000 0.658 380 G C 0.822 175.552 174.900 -0.284 0.000 1.194 380 G CA 0.242 45.215 45.100 -0.210 0.000 1.204 380 G HN 2.108 nan 8.290 nan 0.000 0.524 381 G N 0.297 108.953 108.800 -0.240 0.000 2.198 381 G HA2 -0.059 3.901 3.960 0.001 0.000 0.260 381 G HA3 -0.059 3.901 3.960 0.001 0.000 0.260 381 G C 0.656 175.524 174.900 -0.053 0.000 1.025 381 G CA 1.089 46.053 45.100 -0.225 0.000 0.769 381 G HN 2.240 nan 8.290 nan 0.000 0.507 382 I N -2.085 118.418 120.570 -0.112 0.000 2.676 382 I HA 0.936 5.107 4.170 0.001 0.000 0.309 382 I C 0.184 176.384 176.117 0.138 0.000 0.990 382 I CA -1.381 59.876 61.300 -0.071 0.000 1.168 382 I CB 1.628 39.462 38.000 -0.276 0.000 1.343 382 I HN 0.353 nan 8.210 nan 0.000 0.482 383 H N 1.886 121.101 119.070 0.242 0.000 3.012 383 H HA 0.770 5.326 4.556 0.001 0.000 0.367 383 H C -0.881 174.645 175.328 0.330 0.000 1.211 383 H CA -1.001 55.208 56.048 0.268 0.000 1.139 383 H CB 0.901 30.632 29.762 -0.051 0.000 1.838 383 H HN 0.935 nan 8.280 nan 0.000 0.550 384 A N 0.753 123.743 122.820 0.284 0.000 2.540 384 A HA 0.437 4.758 4.320 0.001 0.000 0.239 384 A C 1.568 179.349 177.584 0.328 0.000 1.061 384 A CA 0.949 53.093 52.037 0.178 0.000 0.758 384 A CB -1.216 17.836 19.000 0.086 0.000 0.991 384 A HN 1.951 nan 8.150 nan 0.000 0.502 385 G N 0.852 109.808 108.800 0.260 0.000 2.211 385 G HA2 -0.180 3.781 3.960 0.001 0.000 0.201 385 G HA3 -0.180 3.781 3.960 0.001 0.000 0.201 385 G C 0.496 175.571 174.900 0.292 0.000 0.997 385 G CA 0.509 45.794 45.100 0.309 0.000 0.652 385 G HN 0.741 nan 8.290 nan 0.000 0.500 386 Q N -0.995 118.882 119.800 0.130 0.000 2.164 386 Q HA 0.355 4.696 4.340 0.001 0.000 0.226 386 Q C 2.148 178.157 176.000 0.015 0.000 0.813 386 Q CA 0.062 55.849 55.803 -0.027 0.000 0.978 386 Q CB 0.235 28.848 28.738 -0.209 0.000 1.149 386 Q HN 0.360 nan 8.270 nan 0.000 0.489 387 M N 1.358 121.076 119.600 0.198 0.000 2.113 387 M HA -0.278 4.202 4.480 0.001 0.000 0.255 387 M C 1.896 178.311 176.300 0.192 0.000 1.073 387 M CA 2.531 57.955 55.300 0.206 0.000 1.091 387 M CB -0.565 32.157 32.600 0.203 0.000 1.309 387 M HN 0.461 nan 8.290 nan 0.000 0.407 388 H N -1.412 117.745 119.070 0.146 0.000 2.319 388 H HA -0.206 4.350 4.556 0.001 0.000 0.297 388 H C 1.676 177.162 175.328 0.263 0.000 1.097 388 H CA 1.737 57.928 56.048 0.238 0.000 1.285 388 H CB -1.045 28.841 29.762 0.206 0.000 1.368 388 H HN 0.688 nan 8.280 nan 0.000 0.495 389 Q N 0.934 120.488 119.800 -0.410 0.000 2.230 389 Q HA -0.002 4.338 4.340 0.001 0.000 0.202 389 Q C 2.281 178.349 176.000 0.114 0.000 0.963 389 Q CA 1.078 56.777 55.803 -0.172 0.000 0.866 389 Q CB -0.077 28.534 28.738 -0.211 0.000 0.931 389 Q HN 0.499 nan 8.270 nan 0.000 0.452 390 L N 0.469 121.740 121.223 0.080 0.000 2.005 390 L HA -0.157 4.183 4.340 0.001 0.000 0.207 390 L C 2.386 179.328 176.870 0.119 0.000 1.072 390 L CA 0.732 55.640 54.840 0.113 0.000 0.744 390 L CB -0.359 41.753 42.059 0.088 0.000 0.895 390 L HN 0.256 nan 8.230 nan 0.000 0.433 391 I N -0.540 120.103 120.570 0.122 0.000 2.226 391 I HA -0.335 3.836 4.170 0.001 0.000 0.245 391 I C 2.568 178.781 176.117 0.160 0.000 1.100 391 I CA 1.619 62.972 61.300 0.089 0.000 1.374 391 I CB -1.556 36.418 38.000 -0.043 0.000 1.057 391 I HN 0.464 nan 8.210 nan 0.000 0.413 392 H N 0.418 119.603 119.070 0.191 0.000 2.319 392 H HA -0.237 4.320 4.556 0.001 0.000 0.299 392 H C 2.210 177.470 175.328 -0.114 0.000 1.092 392 H CA 2.157 58.240 56.048 0.060 0.000 1.302 392 H CB -0.011 29.616 29.762 -0.225 0.000 1.373 392 H HN 0.239 nan 8.280 nan 0.000 0.497 393 Y N 0.434 120.618 120.300 -0.194 0.000 2.231 393 Y HA 0.010 4.561 4.550 0.001 0.000 0.294 393 Y C 2.882 178.580 175.900 -0.337 0.000 1.120 393 Y CA 0.710 58.624 58.100 -0.310 0.000 1.141 393 Y CB -0.127 38.234 38.460 -0.165 0.000 1.022 393 Y HN 0.082 nan 8.280 nan 0.000 0.523 394 L N -1.381 119.791 121.223 -0.085 0.000 2.375 394 L HA 0.296 4.637 4.340 0.001 0.000 0.215 394 L C 1.372 178.240 176.870 -0.003 0.000 1.108 394 L CA 0.488 55.200 54.840 -0.213 0.000 0.830 394 L CB -0.907 41.136 42.059 -0.027 0.000 0.959 394 L HN 0.353 nan 8.230 nan 0.000 0.457 395 G N 0.850 109.660 108.800 0.018 0.000 2.584 395 G HA2 -0.327 3.634 3.960 0.001 0.000 0.229 395 G HA3 -0.327 3.634 3.960 0.001 0.000 0.229 395 G C 0.342 175.283 174.900 0.067 0.000 1.320 395 G CA 0.342 45.473 45.100 0.051 0.000 0.891 395 G HN 0.249 nan 8.290 nan 0.000 0.573 396 E N -0.449 119.789 120.200 0.065 0.000 2.102 396 E HA 0.028 4.379 4.350 0.001 0.000 0.190 396 E C 0.078 176.717 176.600 0.065 0.000 0.971 396 E CA 0.607 57.039 56.400 0.053 0.000 0.821 396 E CB 0.080 29.807 29.700 0.044 0.000 0.777 396 E HN 0.418 nan 8.360 nan 0.000 0.460 397 D N 1.508 121.955 120.400 0.078 0.000 2.468 397 D HA 0.177 4.817 4.640 0.001 0.000 0.218 397 D C -0.820 175.514 176.300 0.057 0.000 1.155 397 D CA 0.180 54.213 54.000 0.054 0.000 0.924 397 D CB 1.371 42.194 40.800 0.038 0.000 1.029 397 D HN -0.046 nan 8.370 nan 0.000 0.515 398 V N 1.760 121.699 119.914 0.042 0.000 3.177 398 V HA 0.197 4.317 4.120 0.001 0.000 0.287 398 V C -1.606 174.495 176.094 0.012 0.000 1.465 398 V CA -0.711 61.608 62.300 0.032 0.000 1.020 398 V CB 2.425 34.347 31.823 0.165 0.000 1.152 398 V HN 0.082 nan 8.190 nan 0.000 0.448 399 V N 6.534 126.432 119.914 -0.026 0.000 2.318 399 V HA 0.444 4.565 4.120 0.001 0.000 0.271 399 V C -0.268 175.824 176.094 -0.003 0.000 1.030 399 V CA -0.545 61.766 62.300 0.019 0.000 0.844 399 V CB 1.123 32.964 31.823 0.030 0.000 1.015 399 V HN 0.629 nan 8.190 nan 0.000 0.460 400 L N 5.888 127.124 121.223 0.022 0.000 2.325 400 L HA 0.361 4.702 4.340 0.001 0.000 0.284 400 L C 0.403 177.188 176.870 -0.142 0.000 1.089 400 L CA 0.510 55.295 54.840 -0.090 0.000 0.836 400 L CB 0.689 42.788 42.059 0.068 0.000 1.184 400 L HN 0.651 nan 8.230 nan 0.000 0.444 401 Q N 4.170 123.771 119.800 -0.331 0.000 2.325 401 Q HA 0.427 4.768 4.340 0.001 0.000 0.262 401 Q C -1.337 174.412 176.000 -0.419 0.000 0.968 401 Q CA -0.261 55.401 55.803 -0.235 0.000 0.877 401 Q CB 1.441 30.065 28.738 -0.189 0.000 1.253 401 Q HN 0.347 nan 8.270 nan 0.000 0.448 402 F N 1.166 121.094 119.950 -0.037 0.000 2.366 402 F HA 0.354 4.882 4.527 0.001 0.000 0.366 402 F C 0.964 176.742 175.800 -0.038 0.000 1.096 402 F CA -0.639 57.336 58.000 -0.042 0.000 1.060 402 F CB 1.231 40.221 39.000 -0.017 0.000 1.282 402 F HN 0.699 nan 8.300 nan 0.000 0.450 403 G N 1.702 110.540 108.800 0.063 0.000 2.624 403 G HA2 0.058 4.019 3.960 0.001 0.000 0.216 403 G HA3 0.058 4.019 3.960 0.001 0.000 0.216 403 G C 1.741 176.675 174.900 0.057 0.000 1.274 403 G CA 0.561 45.687 45.100 0.044 0.000 0.856 403 G HN 0.748 nan 8.290 nan 0.000 0.555 404 G N 0.456 109.269 108.800 0.021 0.000 2.443 404 G HA2 0.154 4.115 3.960 0.001 0.000 0.219 404 G HA3 0.154 4.115 3.960 0.001 0.000 0.219 404 G C 1.537 176.434 174.900 -0.004 0.000 1.131 404 G CA 1.173 46.292 45.100 0.032 0.000 0.775 404 G HN 0.691 nan 8.290 nan 0.000 0.547 405 G N -0.794 107.946 108.800 -0.101 0.000 3.061 405 G HA2 0.270 4.231 3.960 0.001 0.000 0.208 405 G HA3 0.270 4.231 3.960 0.001 0.000 0.208 405 G C 1.091 176.079 174.900 0.146 0.000 1.175 405 G CA 1.250 46.197 45.100 -0.255 0.000 0.812 405 G HN 0.367 nan 8.290 nan 0.000 0.523 406 T N -0.249 114.432 114.554 0.212 0.000 3.358 406 T HA 0.129 4.480 4.350 0.001 0.000 0.263 406 T C 2.200 177.033 174.700 0.221 0.000 0.998 406 T CA -0.170 62.053 62.100 0.206 0.000 1.130 406 T CB 0.017 68.961 68.868 0.127 0.000 1.165 406 T HN 0.131 nan 8.240 nan 0.000 0.426 407 I N 1.821 122.492 120.570 0.168 0.000 2.676 407 I HA 0.044 4.215 4.170 0.001 0.000 0.259 407 I C 2.379 178.613 176.117 0.195 0.000 1.194 407 I CA 1.010 62.391 61.300 0.135 0.000 1.473 407 I CB -0.208 37.836 38.000 0.073 0.000 1.096 407 I HN 0.309 nan 8.210 nan 0.000 0.443 408 G N -0.568 108.416 108.800 0.307 0.000 3.026 408 G HA2 -0.120 3.841 3.960 0.001 0.000 0.208 408 G HA3 -0.120 3.841 3.960 0.001 0.000 0.208 408 G C 0.599 175.687 174.900 0.314 0.000 1.169 408 G CA -0.125 45.190 45.100 0.359 0.000 0.788 408 G HN 0.303 nan 8.290 nan 0.000 0.533 409 H N 1.763 120.953 119.070 0.200 0.000 2.767 409 H HA 0.129 4.686 4.556 0.002 0.000 0.316 409 H C -1.053 174.261 175.328 -0.024 0.000 1.059 409 H CA -1.621 54.446 56.048 0.031 0.000 1.461 409 H CB 2.077 31.881 29.762 0.070 0.000 1.475 409 H HN 0.033 nan 8.280 nan 0.000 0.531 410 P HA -0.117 nan 4.420 nan 0.000 0.219 410 P C 0.300 177.669 177.300 0.115 0.000 1.146 410 P CA 0.922 64.027 63.100 0.008 0.000 0.808 410 P CB 0.536 32.161 31.700 -0.126 0.000 0.779 411 D N -0.179 120.409 120.400 0.313 0.000 2.325 411 D HA 0.293 4.934 4.640 0.001 0.000 0.225 411 D C 1.215 177.542 176.300 0.045 0.000 1.096 411 D CA 0.629 54.719 54.000 0.150 0.000 0.844 411 D CB 0.176 41.063 40.800 0.146 0.000 0.925 411 D HN 0.215 nan 8.370 nan 0.000 0.513 412 G N 0.295 109.136 108.800 0.068 0.000 2.612 412 G HA2 -0.209 3.751 3.960 0.001 0.000 0.686 412 G HA3 -0.209 3.751 3.960 0.001 0.000 0.686 412 G C 0.792 175.671 174.900 -0.034 0.000 1.274 412 G CA -0.603 44.500 45.100 0.006 0.000 0.849 412 G HN 0.125 nan 8.290 nan 0.000 0.595 413 I N 0.230 120.784 120.570 -0.026 0.000 2.226 413 I HA -0.208 3.963 4.170 0.001 0.000 0.245 413 I C 2.992 179.054 176.117 -0.092 0.000 1.100 413 I CA 2.000 63.280 61.300 -0.035 0.000 1.374 413 I CB -0.297 37.686 38.000 -0.029 0.000 1.057 413 I HN 0.682 nan 8.210 nan 0.000 0.413 414 Q N 0.599 120.329 119.800 -0.116 0.000 2.061 414 Q HA -0.241 4.100 4.340 0.001 0.000 0.204 414 Q C 2.476 178.366 176.000 -0.183 0.000 0.984 414 Q CA 2.015 57.730 55.803 -0.147 0.000 0.846 414 Q CB -0.225 28.426 28.738 -0.145 0.000 0.902 414 Q HN 0.600 nan 8.270 nan 0.000 0.421 415 A N 0.517 123.189 122.820 -0.247 0.000 1.902 415 A HA -0.142 4.179 4.320 0.001 0.000 0.217 415 A C 2.249 179.508 177.584 -0.542 0.000 1.181 415 A CA 1.734 53.526 52.037 -0.407 0.000 0.623 415 A CB -1.202 17.473 19.000 -0.542 0.000 0.818 415 A HN 0.532 nan 8.150 nan 0.000 0.443 416 G N -0.597 107.908 108.800 -0.493 0.000 2.442 416 G HA2 -0.021 3.940 3.960 0.001 0.000 0.219 416 G HA3 -0.021 3.940 3.960 0.001 0.000 0.219 416 G C 1.699 176.553 174.900 -0.078 0.000 1.141 416 G CA 1.513 46.514 45.100 -0.166 0.000 0.763 416 G HN 0.811 nan 8.290 nan 0.000 0.554 417 A N 0.136 122.893 122.820 -0.105 0.000 1.897 417 A HA 0.046 4.367 4.320 0.001 0.000 0.215 417 A C 2.526 180.046 177.584 -0.106 0.000 1.181 417 A CA 2.294 54.278 52.037 -0.089 0.000 0.620 417 A CB -0.837 18.114 19.000 -0.082 0.000 0.821 417 A HN 0.272 nan 8.150 nan 0.000 0.443 418 T N 0.456 114.938 114.554 -0.120 0.000 2.746 418 T HA -0.035 4.316 4.350 0.001 0.000 0.267 418 T C 2.199 176.849 174.700 -0.084 0.000 1.039 418 T CA 1.499 63.540 62.100 -0.100 0.000 1.142 418 T CB -0.437 68.370 68.868 -0.102 0.000 0.866 418 T HN 0.585 nan 8.240 nan 0.000 0.444 419 A N 2.449 125.221 122.820 -0.079 0.000 1.940 419 A HA -0.177 4.144 4.320 0.001 0.000 0.219 419 A C 2.260 179.800 177.584 -0.074 0.000 1.176 419 A CA 1.529 53.551 52.037 -0.026 0.000 0.631 419 A CB -0.521 18.526 19.000 0.078 0.000 0.814 419 A HN 0.421 nan 8.150 nan 0.000 0.446 420 N N -0.808 117.792 118.700 -0.166 0.000 2.250 420 N HA -0.113 4.628 4.740 0.001 0.000 0.181 420 N C 1.866 177.267 175.510 -0.182 0.000 1.017 420 N CA 1.364 54.218 53.050 -0.326 0.000 0.866 420 N CB -0.355 37.738 38.487 -0.658 0.000 0.985 420 N HN 0.469 nan 8.380 nan 0.000 0.429 421 R N 1.342 121.772 120.500 -0.116 0.000 2.096 421 R HA 0.029 4.369 4.340 0.001 0.000 0.235 421 R C 1.887 178.160 176.300 -0.045 0.000 1.127 421 R CA 0.929 56.990 56.100 -0.065 0.000 0.968 421 R CB -0.655 29.609 30.300 -0.059 0.000 0.861 421 R HN -0.026 nan 8.270 nan 0.000 0.440 422 V N 0.617 120.504 119.914 -0.045 0.000 2.379 422 V HA -0.103 4.017 4.120 0.001 0.000 0.245 422 V C 2.329 178.415 176.094 -0.014 0.000 1.044 422 V CA 1.691 63.976 62.300 -0.025 0.000 1.036 422 V CB -0.829 30.981 31.823 -0.021 0.000 0.664 422 V HN 0.509 nan 8.190 nan 0.000 0.453 423 A N 0.136 122.945 122.820 -0.019 0.000 1.883 423 A HA -0.226 4.095 4.320 0.001 0.000 0.217 423 A C 2.174 179.767 177.584 0.016 0.000 1.186 423 A CA 2.254 54.295 52.037 0.006 0.000 0.624 423 A CB -0.645 18.358 19.000 0.004 0.000 0.822 423 A HN 0.443 nan 8.150 nan 0.000 0.444 424 L N 0.119 121.344 121.223 0.004 0.000 1.970 424 L HA -0.197 4.144 4.340 0.001 0.000 0.212 424 L C 2.223 179.095 176.870 0.004 0.000 1.071 424 L CA 2.692 57.545 54.840 0.021 0.000 0.751 424 L CB -0.947 41.129 42.059 0.029 0.000 0.889 424 L HN 0.547 nan 8.230 nan 0.000 0.432 425 E N -0.493 119.705 120.200 -0.004 0.000 2.085 425 E HA -0.248 4.103 4.350 0.001 0.000 0.194 425 E C 2.125 178.720 176.600 -0.010 0.000 0.994 425 E CA 1.201 57.596 56.400 -0.008 0.000 0.801 425 E CB -0.348 29.347 29.700 -0.008 0.000 0.743 425 E HN 0.687 nan 8.360 nan 0.000 0.453 426 A N 0.851 123.669 122.820 -0.004 0.000 1.902 426 A HA -0.208 4.112 4.320 0.001 0.000 0.217 426 A C 2.092 179.672 177.584 -0.006 0.000 1.181 426 A CA 1.495 53.531 52.037 -0.001 0.000 0.623 426 A CB -0.362 18.642 19.000 0.007 0.000 0.818 426 A HN 0.168 nan 8.150 nan 0.000 0.443 427 M N -0.045 119.551 119.600 -0.008 0.000 2.132 427 M HA -0.051 4.430 4.480 0.001 0.000 0.263 427 M C 1.872 178.096 176.300 -0.127 0.000 1.065 427 M CA 1.710 56.989 55.300 -0.034 0.000 1.122 427 M CB -0.614 31.985 32.600 -0.001 0.000 1.365 427 M HN 0.556 nan 8.290 nan 0.000 0.411 428 I N -1.534 118.974 120.570 -0.103 0.000 2.761 428 I HA -0.088 4.083 4.170 0.001 0.000 0.261 428 I C 1.810 177.880 176.117 -0.078 0.000 1.198 428 I CA 1.137 62.360 61.300 -0.127 0.000 1.482 428 I CB -0.607 37.347 38.000 -0.075 0.000 1.100 428 I HN 0.287 nan 8.210 nan 0.000 0.445 429 L N 1.438 122.635 121.223 -0.043 0.000 2.017 429 L HA -0.106 4.234 4.340 0.001 0.000 0.208 429 L C 2.628 179.491 176.870 -0.013 0.000 1.073 429 L CA 2.431 57.259 54.840 -0.019 0.000 0.745 429 L CB -1.294 40.760 42.059 -0.008 0.000 0.894 429 L HN 0.443 nan 8.230 nan 0.000 0.432 430 A N 0.142 122.955 122.820 -0.011 0.000 1.902 430 A HA -0.263 4.058 4.320 0.001 0.000 0.217 430 A C 2.458 180.063 177.584 0.035 0.000 1.181 430 A CA 1.734 53.784 52.037 0.023 0.000 0.623 430 A CB -0.697 18.332 19.000 0.050 0.000 0.818 430 A HN 0.508 nan 8.150 nan 0.000 0.443 431 R N -0.195 120.275 120.500 -0.049 0.000 2.094 431 R HA -0.218 4.123 4.340 0.001 0.000 0.239 431 R C 1.739 178.052 176.300 0.021 0.000 1.137 431 R CA 2.116 58.186 56.100 -0.051 0.000 0.943 431 R CB -0.470 29.621 30.300 -0.349 0.000 0.850 431 R HN 0.510 nan 8.270 nan 0.000 0.433 432 N N 0.878 119.571 118.700 -0.012 0.000 2.272 432 N HA -0.141 4.600 4.740 0.001 0.000 0.185 432 N C 0.886 176.409 175.510 0.023 0.000 1.014 432 N CA 1.257 54.312 53.050 0.008 0.000 0.870 432 N CB -0.060 38.427 38.487 -0.001 0.000 0.975 432 N HN 0.432 nan 8.380 nan 0.000 0.433 433 E N 0.137 120.354 120.200 0.027 0.000 2.494 433 E HA 0.022 4.373 4.350 0.001 0.000 0.193 433 E C -0.119 176.506 176.600 0.042 0.000 1.074 433 E CA -0.146 56.272 56.400 0.030 0.000 0.867 433 E CB -0.047 29.669 29.700 0.027 0.000 0.924 433 E HN 0.221 nan 8.360 nan 0.000 0.502 434 N N 1.272 120.008 118.700 0.060 0.000 2.829 434 N HA -0.168 4.572 4.740 0.001 0.000 0.250 434 N C -0.906 174.650 175.510 0.077 0.000 1.090 434 N CA 0.616 53.707 53.050 0.069 0.000 0.781 434 N CB -0.783 37.731 38.487 0.045 0.000 1.124 434 N HN 0.196 nan 8.380 nan 0.000 0.559 435 R N 0.416 120.976 120.500 0.101 0.000 2.531 435 R HA 0.148 4.489 4.340 0.001 0.000 0.273 435 R C 0.292 176.660 176.300 0.115 0.000 1.070 435 R CA -0.513 55.642 56.100 0.092 0.000 1.112 435 R CB 0.411 30.764 30.300 0.089 0.000 1.049 435 R HN 0.044 nan 8.270 nan 0.000 0.508 436 D N 2.458 122.878 120.400 0.034 0.000 2.671 436 D HA -0.056 4.585 4.640 0.001 0.000 0.228 436 D C 0.988 177.241 176.300 -0.079 0.000 1.102 436 D CA -0.202 53.763 54.000 -0.059 0.000 1.044 436 D CB -0.223 40.534 40.800 -0.071 0.000 1.113 436 D HN 0.539 nan 8.370 nan 0.000 0.480 437 Y N 0.252 120.557 120.300 0.009 0.000 2.365 437 Y HA -0.179 4.372 4.550 0.002 0.000 0.287 437 Y C 1.645 177.567 175.900 0.037 0.000 1.162 437 Y CA 0.600 58.713 58.100 0.021 0.000 1.260 437 Y CB -0.350 38.136 38.460 0.045 0.000 0.976 437 Y HN 0.242 nan 8.280 nan 0.000 0.548 438 L N 0.325 121.240 121.223 -0.513 0.000 2.093 438 L HA -0.128 4.213 4.340 0.001 0.000 0.208 438 L C 1.786 178.595 176.870 -0.102 0.000 1.085 438 L CA 2.362 57.015 54.840 -0.311 0.000 0.755 438 L CB -0.984 40.697 42.059 -0.630 0.000 0.904 438 L HN 0.422 nan 8.230 nan 0.000 0.435 439 T N -0.195 114.273 114.554 -0.143 0.000 2.770 439 T HA -0.102 4.249 4.350 0.001 0.000 0.258 439 T C 1.402 176.062 174.700 -0.067 0.000 1.039 439 T CA 1.007 63.054 62.100 -0.089 0.000 1.143 439 T CB -0.029 68.785 68.868 -0.090 0.000 0.866 439 T HN 0.351 nan 8.240 nan 0.000 0.428 440 E N 0.744 120.912 120.200 -0.053 0.000 2.463 440 E HA 0.162 4.512 4.350 0.001 0.000 0.191 440 E C 2.025 178.582 176.600 -0.072 0.000 1.083 440 E CA -0.124 56.249 56.400 -0.045 0.000 0.872 440 E CB -0.121 29.572 29.700 -0.011 0.000 0.966 440 E HN 0.476 nan 8.360 nan 0.000 0.491 441 G N 2.722 111.444 108.800 -0.131 0.000 2.545 441 G HA2 -0.247 3.714 3.960 0.001 0.000 0.217 441 G HA3 -0.247 3.714 3.960 0.001 0.000 0.217 441 G C -0.803 173.858 174.900 -0.399 0.000 1.218 441 G CA 0.594 45.506 45.100 -0.314 0.000 0.787 441 G HN 0.248 nan 8.290 nan 0.000 0.571 442 P HA -0.094 nan 4.420 nan 0.000 0.216 442 P C 1.842 179.076 177.300 -0.110 0.000 1.153 442 P CA 1.290 64.252 63.100 -0.231 0.000 0.858 442 P CB 0.072 31.683 31.700 -0.147 0.000 0.789 443 E N -0.649 119.497 120.200 -0.090 0.000 2.072 443 E HA -0.115 4.236 4.350 0.001 0.000 0.191 443 E C 2.061 178.641 176.600 -0.033 0.000 0.985 443 E CA 0.902 57.274 56.400 -0.047 0.000 0.801 443 E CB -0.687 28.991 29.700 -0.036 0.000 0.750 443 E HN 0.271 nan 8.360 nan 0.000 0.452 444 I N 0.724 121.273 120.570 -0.036 0.000 2.163 444 I HA -0.302 3.869 4.170 0.001 0.000 0.243 444 I C 2.469 178.583 176.117 -0.005 0.000 1.085 444 I CA 0.893 62.187 61.300 -0.010 0.000 1.347 444 I CB -0.257 37.749 38.000 0.010 0.000 1.044 444 I HN 0.082 nan 8.210 nan 0.000 0.408 445 L N 0.090 121.305 121.223 -0.014 0.000 2.046 445 L HA -0.207 4.134 4.340 0.001 0.000 0.208 445 L C 2.760 179.635 176.870 0.009 0.000 1.077 445 L CA 1.266 56.112 54.840 0.010 0.000 0.747 445 L CB -0.512 41.561 42.059 0.024 0.000 0.896 445 L HN 0.196 nan 8.230 nan 0.000 0.432 446 R N 0.127 120.625 120.500 -0.003 0.000 2.096 446 R HA -0.226 4.115 4.340 0.001 0.000 0.235 446 R C 2.202 178.501 176.300 -0.001 0.000 1.127 446 R CA 1.494 57.593 56.100 -0.001 0.000 0.968 446 R CB 0.016 30.311 30.300 -0.009 0.000 0.861 446 R HN 0.187 nan 8.270 nan 0.000 0.440 447 E N 0.089 120.287 120.200 -0.003 0.000 2.072 447 E HA -0.083 4.268 4.350 0.001 0.000 0.191 447 E C 1.643 178.244 176.600 0.001 0.000 0.985 447 E CA 1.631 58.030 56.400 -0.002 0.000 0.801 447 E CB -0.168 29.531 29.700 -0.002 0.000 0.750 447 E HN 0.418 nan 8.360 nan 0.000 0.452 448 A N 0.502 123.324 122.820 0.004 0.000 1.969 448 A HA 0.055 4.376 4.320 0.001 0.000 0.218 448 A C 2.334 179.922 177.584 0.006 0.000 1.169 448 A CA 1.593 53.633 52.037 0.005 0.000 0.635 448 A CB -0.732 18.272 19.000 0.007 0.000 0.810 448 A HN 0.343 nan 8.150 nan 0.000 0.445 449 A N -0.211 122.614 122.820 0.009 0.000 2.067 449 A HA -0.083 4.238 4.320 0.001 0.000 0.219 449 A C 1.977 179.563 177.584 0.004 0.000 1.158 449 A CA 1.497 53.540 52.037 0.010 0.000 0.661 449 A CB -0.372 18.636 19.000 0.014 0.000 0.801 449 A HN 0.536 nan 8.150 nan 0.000 0.452 450 K N -0.919 119.482 120.400 0.001 0.000 2.152 450 K HA -0.104 4.217 4.320 0.001 0.000 0.206 450 K C 1.014 177.613 176.600 -0.002 0.000 1.048 450 K CA 1.722 58.008 56.287 -0.001 0.000 0.933 450 K CB -0.112 32.387 32.500 -0.002 0.000 0.721 450 K HN 0.418 nan 8.250 nan 0.000 0.447 451 T N -0.917 113.637 114.554 -0.001 0.000 3.054 451 T HA 0.090 4.441 4.350 0.001 0.000 0.255 451 T C -0.359 174.339 174.700 -0.003 0.000 1.035 451 T CA -0.076 62.023 62.100 -0.003 0.000 0.941 451 T CB 0.242 69.108 68.868 -0.003 0.000 1.026 451 T HN 0.140 nan 8.240 nan 0.000 0.533 452 C N 1.693 120.993 119.300 -0.001 0.000 2.407 452 C HA 0.657 5.118 4.460 0.001 0.000 0.328 452 C C 2.033 177.028 174.990 0.008 0.000 1.137 452 C CA -0.831 58.187 59.018 -0.000 0.000 1.390 452 C CB -0.278 27.461 27.740 -0.002 0.000 1.989 452 C HN 0.596 nan 8.230 nan 0.000 0.432 453 G N 3.333 112.136 108.800 0.006 0.000 2.446 453 G HA2 -0.134 3.827 3.960 0.001 0.000 0.217 453 G HA3 -0.134 3.827 3.960 0.001 0.000 0.217 453 G C 1.756 176.685 174.900 0.047 0.000 1.168 453 G CA 1.292 46.401 45.100 0.017 0.000 0.771 453 G HN 1.114 nan 8.290 nan 0.000 0.551 454 A N 0.491 123.339 122.820 0.046 0.000 1.884 454 A HA -0.106 4.215 4.320 0.001 0.000 0.219 454 A C 2.408 180.107 177.584 0.191 0.000 1.197 454 A CA 2.058 54.158 52.037 0.105 0.000 0.637 454 A CB -0.641 18.329 19.000 -0.050 0.000 0.827 454 A HN 0.509 nan 8.150 nan 0.000 0.450 455 L N -0.318 120.958 121.223 0.087 0.000 2.017 455 L HA -0.124 4.216 4.340 0.001 0.000 0.208 455 L C 2.462 179.371 176.870 0.064 0.000 1.073 455 L CA 2.434 57.322 54.840 0.080 0.000 0.745 455 L CB -0.784 41.300 42.059 0.042 0.000 0.894 455 L HN 0.491 nan 8.230 nan 0.000 0.432 456 R N -1.214 119.309 120.500 0.038 0.000 2.096 456 R HA -0.199 4.142 4.340 0.001 0.000 0.240 456 R C 2.029 178.317 176.300 -0.021 0.000 1.139 456 R CA 2.314 58.420 56.100 0.010 0.000 0.952 456 R CB -0.485 29.816 30.300 0.002 0.000 0.854 456 R HN 0.453 nan 8.270 nan 0.000 0.436 457 T N 0.361 114.899 114.554 -0.025 0.000 2.746 457 T HA -0.109 4.241 4.350 0.001 0.000 0.267 457 T C 1.792 176.331 174.700 -0.269 0.000 1.039 457 T CA 1.359 63.372 62.100 -0.144 0.000 1.142 457 T CB -0.280 68.499 68.868 -0.148 0.000 0.866 457 T HN 0.469 nan 8.240 nan 0.000 0.444 458 A N 1.144 123.875 122.820 -0.149 0.000 1.930 458 A HA 0.060 4.380 4.320 0.001 0.000 0.217 458 A C 2.298 179.888 177.584 0.010 0.000 1.175 458 A CA 1.068 53.039 52.037 -0.109 0.000 0.627 458 A CB -0.790 18.340 19.000 0.217 0.000 0.815 458 A HN 0.470 nan 8.150 nan 0.000 0.443 459 L N -0.520 120.731 121.223 0.048 0.000 2.093 459 L HA -0.169 4.171 4.340 0.001 0.000 0.208 459 L C 1.963 178.841 176.870 0.012 0.000 1.085 459 L CA 1.336 56.227 54.840 0.085 0.000 0.755 459 L CB -0.565 41.536 42.059 0.069 0.000 0.904 459 L HN 0.335 nan 8.230 nan 0.000 0.435 460 D N -0.074 120.283 120.400 -0.072 0.000 2.103 460 D HA -0.142 4.499 4.640 0.001 0.000 0.199 460 D C 2.290 178.480 176.300 -0.184 0.000 0.978 460 D CA 0.803 54.740 54.000 -0.105 0.000 0.829 460 D CB -0.089 40.641 40.800 -0.116 0.000 0.981 460 D HN 0.208 nan 8.370 nan 0.000 0.464 461 L N -0.154 120.860 121.223 -0.349 0.000 1.990 461 L HA -0.156 4.184 4.340 0.001 0.000 0.213 461 L C 0.922 177.477 176.870 -0.526 0.000 1.072 461 L CA 1.294 55.778 54.840 -0.594 0.000 0.755 461 L CB -0.020 41.367 42.059 -1.121 0.000 0.889 461 L HN 0.186 nan 8.230 nan 0.000 0.432 462 W N 0.495 121.692 121.300 -0.172 0.000 2.817 462 W HA 0.159 4.820 4.660 0.001 0.000 0.433 462 W C 1.510 177.881 176.519 -0.248 0.000 0.838 462 W CA -0.679 56.479 57.345 -0.311 0.000 2.356 462 W CB -0.412 28.682 29.460 -0.609 0.000 1.216 462 W HN 0.236 nan 8.180 nan 0.000 0.793 463 K N 1.555 121.976 120.400 0.035 0.000 1.977 463 K HA -0.238 4.083 4.320 0.001 0.000 0.231 463 K C 0.360 177.020 176.600 0.100 0.000 1.040 463 K CA 2.333 58.659 56.287 0.066 0.000 1.029 463 K CB -0.035 32.475 32.500 0.015 0.000 0.737 463 K HN -0.190 nan 8.250 nan 0.000 0.446 464 D N 0.685 121.115 120.400 0.051 0.000 2.722 464 D HA 0.151 4.792 4.640 0.001 0.000 0.239 464 D C -0.626 175.683 176.300 0.016 0.000 1.249 464 D CA -0.044 53.985 54.000 0.049 0.000 0.830 464 D CB 0.069 40.879 40.800 0.017 0.000 1.025 464 D HN 0.146 nan 8.370 nan 0.000 0.486 465 I N 1.039 121.624 120.570 0.025 0.000 2.452 465 I HA 0.127 4.298 4.170 0.001 0.000 0.287 465 I C 0.926 177.002 176.117 -0.067 0.000 1.079 465 I CA 0.513 61.770 61.300 -0.072 0.000 1.387 465 I CB 0.610 38.537 38.000 -0.121 0.000 1.404 465 I HN -0.121 nan 8.210 nan 0.000 0.522 466 T N 6.648 121.004 114.554 -0.331 0.000 2.864 466 T HA 0.644 4.995 4.350 0.001 0.000 0.299 466 T C -1.143 173.174 174.700 -0.638 0.000 1.166 466 T CA -0.334 61.582 62.100 -0.306 0.000 1.007 466 T CB 0.980 69.784 68.868 -0.107 0.000 1.219 466 T HN 0.174 nan 8.240 nan 0.000 0.506 467 F N 2.572 122.570 119.950 0.081 0.000 2.660 467 F HA 0.435 4.962 4.527 0.001 0.000 0.352 467 F C 0.349 176.192 175.800 0.072 0.000 1.257 467 F CA -0.814 57.284 58.000 0.163 0.000 1.200 467 F CB 0.345 39.480 39.000 0.225 0.000 1.473 467 F HN 0.427 nan 8.300 nan 0.000 0.561 468 N N 2.441 121.064 118.700 -0.128 0.000 2.558 468 N HA 0.373 5.114 4.740 0.001 0.000 0.233 468 N C -1.418 173.847 175.510 -0.407 0.000 1.038 468 N CA -0.318 52.628 53.050 -0.173 0.000 0.934 468 N CB 0.617 38.998 38.487 -0.176 0.000 1.175 468 N HN 0.327 nan 8.380 nan 0.000 0.512 469 Y N -0.299 120.036 120.300 0.058 0.000 2.524 469 Y HA 0.311 4.861 4.550 0.001 0.000 0.347 469 Y C 0.470 176.386 175.900 0.027 0.000 1.005 469 Y CA -1.118 57.008 58.100 0.044 0.000 1.025 469 Y CB 1.452 39.944 38.460 0.054 0.000 1.275 469 Y HN 0.151 nan 8.280 nan 0.000 0.460 470 T N 1.792 116.452 114.554 0.177 0.000 2.888 470 T HA 0.126 4.477 4.350 0.001 0.000 0.301 470 T C 0.224 174.981 174.700 0.094 0.000 1.001 470 T CA -0.084 62.077 62.100 0.101 0.000 1.147 470 T CB 0.241 69.154 68.868 0.075 0.000 0.931 470 T HN 0.553 nan 8.240 nan 0.000 0.541 471 S N 1.921 117.658 115.700 0.062 0.000 2.585 471 S HA 0.176 4.647 4.470 0.001 0.000 0.273 471 S C 1.834 176.460 174.600 0.045 0.000 1.339 471 S CA -0.543 57.685 58.200 0.047 0.000 1.028 471 S CB 0.971 64.187 63.200 0.028 0.000 0.906 471 S HN 0.926 nan 8.310 nan 0.000 0.528 472 T N -1.448 113.132 114.554 0.042 0.000 3.033 472 T HA 0.077 4.428 4.350 0.001 0.000 0.248 472 T C 0.301 175.038 174.700 0.061 0.000 1.040 472 T CA 0.204 62.332 62.100 0.046 0.000 1.133 472 T CB -0.157 68.735 68.868 0.039 0.000 0.895 472 T HN 0.460 nan 8.240 nan 0.000 0.465 473 D N 2.398 122.840 120.400 0.069 0.000 2.456 473 D HA 0.377 5.018 4.640 0.001 0.000 0.219 473 D C -0.720 175.625 176.300 0.075 0.000 1.126 473 D CA -0.075 53.982 54.000 0.096 0.000 0.890 473 D CB 0.550 41.432 40.800 0.136 0.000 1.025 473 D HN 0.271 nan 8.370 nan 0.000 0.511 474 T N 0.951 115.548 114.554 0.072 0.000 2.942 474 T HA 0.401 4.751 4.350 0.001 0.000 0.289 474 T C 0.154 174.898 174.700 0.073 0.000 1.044 474 T CA -0.769 61.361 62.100 0.052 0.000 1.023 474 T CB 1.605 70.495 68.868 0.036 0.000 1.123 474 T HN 0.192 nan 8.240 nan 0.000 0.512 475 S N -0.335 115.399 115.700 0.057 0.000 2.608 475 S HA 0.125 4.596 4.470 0.001 0.000 0.261 475 S C 0.177 174.823 174.600 0.077 0.000 1.314 475 S CA -0.296 57.958 58.200 0.091 0.000 0.992 475 S CB 0.066 63.308 63.200 0.070 0.000 0.935 475 S HN 0.690 nan 8.310 nan 0.000 0.564 476 D N 0.456 120.915 120.400 0.099 0.000 2.469 476 D HA 0.166 4.807 4.640 0.001 0.000 0.213 476 D C -0.738 175.249 176.300 -0.520 0.000 1.135 476 D CA 0.421 54.306 54.000 -0.193 0.000 0.834 476 D CB 0.329 40.998 40.800 -0.217 0.000 1.009 476 D HN 0.469 nan 8.370 nan 0.000 0.507 477 F N 1.411 121.374 119.950 0.021 0.000 2.576 477 F HA 0.165 4.693 4.527 0.001 0.000 0.365 477 F C 0.357 176.145 175.800 -0.020 0.000 1.506 477 F CA -0.912 57.086 58.000 -0.003 0.000 1.113 477 F CB 0.304 39.281 39.000 -0.038 0.000 1.293 477 F HN -0.320 nan 8.300 nan 0.000 0.540 478 V N 0.000 119.976 119.914 0.103 0.000 2.409 478 V HA 0.000 4.121 4.120 0.001 0.000 0.244 478 V CA 0.000 62.338 62.300 0.064 0.000 1.235 478 V CB 0.000 31.845 31.823 0.037 0.000 1.184 478 V HN 0.000 nan 8.190 nan 0.000 0.556