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 1sx4_1_L DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 3 A N 3.465 126.282 122.820 -0.004 0.000 2.488 3 A HA 0.571 4.891 4.320 0.000 0.000 0.249 3 A C 0.459 178.041 177.584 -0.004 0.000 1.083 3 A CA 0.170 52.208 52.037 0.002 0.000 0.768 3 A CB 0.155 19.160 19.000 0.007 0.000 1.017 3 A HN 0.639 nan 8.150 nan 0.000 0.496 4 K N 1.222 121.622 120.400 0.001 0.000 2.210 4 K HA 0.448 4.768 4.320 0.000 0.000 0.236 4 K C -1.096 175.515 176.600 0.018 0.000 1.016 4 K CA -0.654 55.628 56.287 -0.008 0.000 0.913 4 K CB 1.063 33.553 32.500 -0.017 0.000 1.141 4 K HN 0.704 nan 8.250 nan 0.000 0.462 5 D N 0.815 121.228 120.400 0.022 0.000 2.481 5 D HA 0.297 4.937 4.640 0.000 0.000 0.246 5 D C -1.369 175.048 176.300 0.194 0.000 1.109 5 D CA -0.600 53.466 54.000 0.110 0.000 0.845 5 D CB 1.185 42.059 40.800 0.124 0.000 1.160 5 D HN 0.091 nan 8.370 nan 0.000 0.534 6 V N 3.897 123.903 119.914 0.154 0.000 2.459 6 V HA 0.512 4.632 4.120 0.000 0.000 0.295 6 V C 0.257 176.337 176.094 -0.023 0.000 1.029 6 V CA -0.761 61.566 62.300 0.044 0.000 0.874 6 V CB 1.600 33.398 31.823 -0.043 0.000 0.985 6 V HN 0.388 nan 8.190 nan 0.000 0.438 7 K N 2.919 123.221 120.400 -0.163 0.000 2.318 7 K HA 0.769 5.089 4.320 0.000 0.000 0.249 7 K C -1.677 174.693 176.600 -0.382 0.000 0.942 7 K CA -0.472 55.654 56.287 -0.267 0.000 0.808 7 K CB 2.062 34.215 32.500 -0.579 0.000 1.189 7 K HN 0.499 nan 8.250 nan 0.000 0.428 8 F N 0.505 120.412 119.950 -0.072 0.000 2.563 8 F HA 0.388 4.915 4.527 0.000 0.000 0.316 8 F C 1.217 176.990 175.800 -0.044 0.000 1.076 8 F CA 0.233 58.211 58.000 -0.037 0.000 0.921 8 F CB 1.986 40.973 39.000 -0.021 0.000 1.209 8 F HN 0.803 nan 8.300 nan 0.000 0.462 9 G N 2.310 111.229 108.800 0.197 0.000 2.699 9 G HA2 -0.503 3.457 3.960 0.000 0.000 0.347 9 G HA3 -0.503 3.457 3.960 0.000 0.000 0.347 9 G C 1.224 176.152 174.900 0.047 0.000 1.225 9 G CA 1.492 46.657 45.100 0.108 0.000 0.973 9 G HN 0.677 nan 8.290 nan 0.000 0.551 10 N N 1.273 119.994 118.700 0.035 0.000 2.080 10 N HA -0.021 4.719 4.740 0.000 0.000 0.189 10 N C 1.905 177.403 175.510 -0.021 0.000 1.036 10 N CA 1.893 54.946 53.050 0.006 0.000 0.846 10 N CB -0.332 38.156 38.487 0.003 0.000 1.015 10 N HN 0.572 nan 8.380 nan 0.000 0.423 11 D N 0.691 121.073 120.400 -0.031 0.000 2.205 11 D HA -0.271 4.369 4.640 0.000 0.000 0.190 11 D C 1.841 178.057 176.300 -0.139 0.000 1.002 11 D CA 1.742 55.687 54.000 -0.092 0.000 0.848 11 D CB -1.020 39.714 40.800 -0.110 0.000 0.975 11 D HN 0.328 nan 8.370 nan 0.000 0.449 12 A N 1.422 124.156 122.820 -0.142 0.000 1.909 12 A HA -0.330 3.990 4.320 0.000 0.000 0.221 12 A C 2.212 179.748 177.584 -0.079 0.000 1.223 12 A CA 2.787 54.732 52.037 -0.153 0.000 0.658 12 A CB -0.807 18.141 19.000 -0.087 0.000 0.831 12 A HN 0.288 nan 8.150 nan 0.000 0.462 13 R N -1.150 119.327 120.500 -0.038 0.000 2.092 13 R HA -0.002 4.338 4.340 0.000 0.000 0.231 13 R C 2.062 178.351 176.300 -0.018 0.000 1.119 13 R CA 1.159 57.250 56.100 -0.014 0.000 0.970 13 R CB -0.736 29.563 30.300 -0.002 0.000 0.864 13 R HN 0.395 nan 8.270 nan 0.000 0.440 14 V N 2.023 121.918 119.914 -0.032 0.000 2.233 14 V HA -0.288 3.832 4.120 0.000 0.000 0.247 14 V C 2.282 178.361 176.094 -0.024 0.000 1.050 14 V CA 1.775 64.059 62.300 -0.026 0.000 1.010 14 V CB -0.368 31.436 31.823 -0.032 0.000 0.637 14 V HN 0.214 nan 8.190 nan 0.000 0.444 15 K N -0.597 119.773 120.400 -0.050 0.000 2.034 15 K HA -0.216 4.105 4.320 0.000 0.000 0.214 15 K C 2.091 178.707 176.600 0.027 0.000 1.051 15 K CA 1.888 58.163 56.287 -0.020 0.000 0.931 15 K CB -0.763 31.691 32.500 -0.077 0.000 0.715 15 K HN 0.406 nan 8.250 nan 0.000 0.446 16 M N 0.113 119.728 119.600 0.025 0.000 2.144 16 M HA -0.207 4.273 4.480 0.000 0.000 0.260 16 M C 2.179 178.495 176.300 0.027 0.000 1.067 16 M CA 1.206 56.529 55.300 0.039 0.000 1.095 16 M CB -0.293 32.326 32.600 0.032 0.000 1.365 16 M HN 0.080 nan 8.290 nan 0.000 0.406 17 L N 0.375 121.607 121.223 0.016 0.000 2.023 17 L HA -0.147 4.193 4.340 0.000 0.000 0.205 17 L C 2.408 179.287 176.870 0.015 0.000 1.073 17 L CA 1.807 56.655 54.840 0.013 0.000 0.745 17 L CB -0.548 41.515 42.059 0.007 0.000 0.900 17 L HN 0.140 nan 8.230 nan 0.000 0.435 18 R N -0.266 120.243 120.500 0.015 0.000 2.070 18 R HA -0.096 4.244 4.340 0.000 0.000 0.233 18 R C 2.235 178.547 176.300 0.021 0.000 1.137 18 R CA 1.263 57.373 56.100 0.016 0.000 0.945 18 R CB -1.405 28.904 30.300 0.016 0.000 0.845 18 R HN 0.570 nan 8.270 nan 0.000 0.430 19 G N 1.415 110.232 108.800 0.029 0.000 2.599 19 G HA2 -0.350 3.610 3.960 0.000 0.000 0.219 19 G HA3 -0.350 3.610 3.960 0.000 0.000 0.219 19 G C 1.487 176.401 174.900 0.022 0.000 1.193 19 G CA 1.369 46.488 45.100 0.030 0.000 0.778 19 G HN 0.313 nan 8.290 nan 0.000 0.589 20 V N 1.139 121.066 119.914 0.022 0.000 2.287 20 V HA -0.250 3.870 4.120 0.000 0.000 0.248 20 V C 2.290 178.392 176.094 0.014 0.000 1.053 20 V CA 2.950 65.260 62.300 0.017 0.000 1.027 20 V CB -0.879 30.955 31.823 0.018 0.000 0.646 20 V HN 0.554 nan 8.190 nan 0.000 0.447 21 N N -0.226 118.482 118.700 0.014 0.000 2.061 21 N HA -0.193 4.547 4.740 0.000 0.000 0.193 21 N C 1.814 177.330 175.510 0.010 0.000 1.030 21 N CA 1.958 55.015 53.050 0.011 0.000 0.856 21 N CB -0.374 38.119 38.487 0.010 0.000 1.023 21 N HN 0.449 nan 8.380 nan 0.000 0.424 22 V N 1.759 121.680 119.914 0.011 0.000 2.282 22 V HA -0.244 3.876 4.120 0.000 0.000 0.249 22 V C 2.250 178.349 176.094 0.008 0.000 1.057 22 V CA 1.385 63.691 62.300 0.010 0.000 1.032 22 V CB -0.621 31.209 31.823 0.011 0.000 0.645 22 V HN 0.390 nan 8.190 nan 0.000 0.447 23 L N -0.097 121.132 121.223 0.009 0.000 1.963 23 L HA -0.286 4.054 4.340 0.000 0.000 0.220 23 L C 2.665 179.538 176.870 0.005 0.000 1.076 23 L CA 2.568 57.411 54.840 0.006 0.000 0.772 23 L CB -0.848 41.215 42.059 0.006 0.000 0.892 23 L HN 0.400 nan 8.230 nan 0.000 0.435 24 A N -0.406 122.419 122.820 0.007 0.000 1.917 24 A HA -0.273 4.047 4.320 0.000 0.000 0.219 24 A C 1.786 179.374 177.584 0.007 0.000 1.182 24 A CA 2.161 54.202 52.037 0.007 0.000 0.633 24 A CB -0.701 18.305 19.000 0.009 0.000 0.819 24 A HN 0.576 nan 8.150 nan 0.000 0.448 25 D N -0.159 120.245 120.400 0.007 0.000 2.219 25 D HA 0.022 4.662 4.640 0.000 0.000 0.205 25 D C 2.075 178.378 176.300 0.005 0.000 0.970 25 D CA 1.329 55.333 54.000 0.006 0.000 0.851 25 D CB -0.320 40.484 40.800 0.006 0.000 0.943 25 D HN 0.470 nan 8.370 nan 0.000 0.488 26 A N 0.289 123.112 122.820 0.005 0.000 1.970 26 A HA -0.019 4.302 4.320 0.000 0.000 0.216 26 A C 2.284 179.869 177.584 0.003 0.000 1.170 26 A CA 0.616 52.655 52.037 0.004 0.000 0.645 26 A CB -0.305 18.697 19.000 0.004 0.000 0.816 26 A HN 0.172 nan 8.150 nan 0.000 0.447 27 V N 0.736 120.651 119.914 0.003 0.000 2.992 27 V HA -0.092 4.028 4.120 0.000 0.000 0.250 27 V C 2.381 178.476 176.094 0.002 0.000 1.090 27 V CA 1.829 64.129 62.300 0.001 0.000 1.101 27 V CB -0.300 31.523 31.823 -0.001 0.000 0.743 27 V HN 0.791 nan 8.190 nan 0.000 0.468 28 K N 0.749 121.152 120.400 0.004 0.000 2.288 28 K HA -0.067 4.254 4.320 0.000 0.000 0.201 28 K C 1.554 178.157 176.600 0.005 0.000 1.048 28 K CA 1.809 58.099 56.287 0.005 0.000 0.956 28 K CB -0.548 31.956 32.500 0.007 0.000 0.746 28 K HN 0.483 nan 8.250 nan 0.000 0.461 29 V N -0.027 119.890 119.914 0.005 0.000 3.444 29 V HA -0.041 4.079 4.120 0.000 0.000 0.271 29 V C 1.480 177.576 176.094 0.004 0.000 1.188 29 V CA 1.259 63.562 62.300 0.005 0.000 1.168 29 V CB -1.047 30.779 31.823 0.005 0.000 0.810 29 V HN 0.498 nan 8.190 nan 0.000 0.500 30 T N -3.179 111.377 114.554 0.002 0.000 3.215 30 T HA 0.331 4.681 4.350 0.000 0.000 0.271 30 T C 1.108 175.808 174.700 -0.000 0.000 1.012 30 T CA 0.287 62.387 62.100 0.001 0.000 0.899 30 T CB 0.671 69.539 68.868 -0.001 0.000 1.089 30 T HN 0.331 nan 8.240 nan 0.000 0.552 31 L N 2.205 123.429 121.223 0.002 0.000 2.102 31 L HA 0.488 4.828 4.340 0.000 0.000 0.202 31 L C 1.537 178.407 176.870 -0.000 0.000 1.076 31 L CA 1.082 55.923 54.840 0.002 0.000 0.761 31 L CB -1.162 40.900 42.059 0.005 0.000 0.921 31 L HN 0.380 nan 8.230 nan 0.000 0.444 32 G N -0.196 108.605 108.800 0.002 0.000 2.714 32 G HA2 0.017 3.977 3.960 0.000 0.000 0.278 32 G HA3 0.017 3.977 3.960 0.000 0.000 0.278 32 G C -1.541 173.351 174.900 -0.014 0.000 1.288 32 G CA 0.153 45.251 45.100 -0.004 0.000 1.027 32 G HN 0.408 nan 8.290 nan 0.000 0.607 33 P HA 0.052 nan 4.420 nan 0.000 0.239 33 P C 0.403 177.689 177.300 -0.025 0.000 1.184 33 P CA 1.039 64.120 63.100 -0.030 0.000 0.760 33 P CB 0.376 32.046 31.700 -0.049 0.000 0.884 34 K N 0.306 120.695 120.400 -0.017 0.000 3.239 34 K HA 0.311 4.631 4.320 0.000 0.000 0.204 34 K C 0.705 177.303 176.600 -0.004 0.000 1.126 34 K CA -0.355 55.924 56.287 -0.012 0.000 0.948 34 K CB 0.990 33.483 32.500 -0.012 0.000 0.818 34 K HN 0.008 nan 8.250 nan 0.000 0.480 35 G N 0.745 109.543 108.800 -0.004 0.000 2.616 35 G HA2 0.222 4.182 3.960 0.000 0.000 0.268 35 G HA3 0.222 4.182 3.960 0.000 0.000 0.268 35 G C 0.105 175.005 174.900 -0.000 0.000 1.213 35 G CA -0.450 44.650 45.100 -0.001 0.000 0.926 35 G HN 0.118 nan 8.290 nan 0.000 0.523 36 R N -0.426 120.074 120.500 0.001 0.000 2.705 36 R HA 0.348 4.688 4.340 0.000 0.000 0.246 36 R C -0.095 176.205 176.300 0.001 0.000 1.142 36 R CA -0.911 55.190 56.100 0.002 0.000 1.114 36 R CB 0.308 30.609 30.300 0.003 0.000 1.256 36 R HN 0.553 nan 8.270 nan 0.000 0.536 37 N N -0.104 118.596 118.700 0.001 0.000 2.487 37 N HA 0.296 5.036 4.740 0.000 0.000 0.292 37 N C -0.753 174.758 175.510 0.002 0.000 1.108 37 N CA -0.401 52.649 53.050 0.001 0.000 0.956 37 N CB 1.941 40.429 38.487 0.001 0.000 1.176 37 N HN 0.063 nan 8.380 nan 0.000 0.484 38 V N 1.716 121.631 119.914 0.002 0.000 2.555 38 V HA 0.322 4.442 4.120 0.000 0.000 0.302 38 V C 0.024 176.120 176.094 0.003 0.000 1.038 38 V CA -0.801 61.501 62.300 0.002 0.000 0.887 38 V CB 2.120 33.944 31.823 0.002 0.000 0.991 38 V HN 0.308 nan 8.190 nan 0.000 0.434 39 V N 5.970 125.886 119.914 0.003 0.000 2.394 39 V HA 0.453 4.573 4.120 0.000 0.000 0.282 39 V C -0.589 175.508 176.094 0.004 0.000 1.031 39 V CA -0.524 61.778 62.300 0.004 0.000 0.881 39 V CB 1.501 33.326 31.823 0.003 0.000 0.982 39 V HN 0.518 nan 8.190 nan 0.000 0.451 40 L N 4.319 125.545 121.223 0.006 0.000 2.353 40 L HA 0.483 4.823 4.340 0.000 0.000 0.270 40 L C -0.096 176.780 176.870 0.010 0.000 1.003 40 L CA -0.305 54.539 54.840 0.008 0.000 0.862 40 L CB 1.032 43.097 42.059 0.009 0.000 1.221 40 L HN 0.603 nan 8.230 nan 0.000 0.430 41 D N 3.295 123.700 120.400 0.008 0.000 2.400 41 D HA 0.141 4.781 4.640 0.000 0.000 0.238 41 D C -0.174 176.136 176.300 0.017 0.000 1.157 41 D CA 0.533 54.538 54.000 0.008 0.000 0.889 41 D CB 0.811 41.611 40.800 -0.000 0.000 1.199 41 D HN 0.253 nan 8.370 nan 0.000 0.436 42 K N 2.127 122.542 120.400 0.024 0.000 2.535 42 K HA 0.172 4.492 4.320 0.000 0.000 0.250 42 K C 0.590 177.228 176.600 0.063 0.000 0.948 42 K CA -0.524 55.792 56.287 0.048 0.000 0.796 42 K CB 1.450 33.981 32.500 0.051 0.000 1.216 42 K HN 0.383 nan 8.250 nan 0.000 0.432 43 S N 2.943 118.698 115.700 0.091 0.000 2.460 43 S HA -0.158 4.312 4.470 0.000 0.000 0.241 43 S C 0.426 175.014 174.600 -0.019 0.000 1.051 43 S CA 1.602 59.829 58.200 0.045 0.000 1.223 43 S CB -0.276 63.044 63.200 0.200 0.000 1.160 43 S HN 0.464 nan 8.310 nan 0.000 0.424 44 F N 0.695 120.644 119.950 -0.002 0.000 2.379 44 F HA 0.600 5.127 4.527 0.000 0.000 0.332 44 F C 1.136 176.935 175.800 -0.001 0.000 1.096 44 F CA -0.092 57.907 58.000 -0.002 0.000 1.105 44 F CB 0.369 39.368 39.000 -0.002 0.000 1.189 44 F HN 0.571 nan 8.300 nan 0.000 0.515 45 G N 0.469 109.365 108.800 0.159 0.000 2.681 45 G HA2 0.265 4.225 3.960 0.000 0.000 0.220 45 G HA3 0.265 4.225 3.960 0.000 0.000 0.220 45 G C -0.947 173.985 174.900 0.053 0.000 1.353 45 G CA -0.665 44.490 45.100 0.093 0.000 0.872 45 G HN 1.153 nan 8.290 nan 0.000 0.557 46 A N 1.009 123.854 122.820 0.040 0.000 2.302 46 A HA 0.854 5.174 4.320 0.000 0.000 0.285 46 A C -0.895 176.703 177.584 0.024 0.000 1.105 46 A CA -0.258 51.794 52.037 0.025 0.000 0.816 46 A CB 0.190 19.202 19.000 0.020 0.000 1.067 46 A HN 0.934 nan 8.150 nan 0.000 0.489 47 P HA 0.200 nan 4.420 nan 0.000 0.272 47 P C -0.308 177.001 177.300 0.015 0.000 1.254 47 P CA 0.030 63.139 63.100 0.015 0.000 0.795 47 P CB 0.280 31.984 31.700 0.008 0.000 1.022 48 T N 0.903 115.465 114.554 0.014 0.000 2.771 48 T HA 0.490 4.840 4.350 0.000 0.000 0.281 48 T C 0.176 174.881 174.700 0.009 0.000 0.982 48 T CA -0.365 61.742 62.100 0.012 0.000 0.978 48 T CB -0.019 68.857 68.868 0.014 0.000 0.930 48 T HN 0.160 nan 8.240 nan 0.000 0.447 49 I N 3.146 123.720 120.570 0.007 0.000 2.331 49 I HA 0.512 4.682 4.170 0.000 0.000 0.292 49 I C 0.565 176.684 176.117 0.004 0.000 0.998 49 I CA -0.462 60.841 61.300 0.005 0.000 1.267 49 I CB 1.539 39.541 38.000 0.004 0.000 1.386 49 I HN 0.475 nan 8.210 nan 0.000 0.476 50 T N 4.475 119.031 114.554 0.003 0.000 2.868 50 T HA 0.356 4.706 4.350 0.000 0.000 0.306 50 T C -0.173 174.527 174.700 0.001 0.000 1.224 50 T CA -0.579 61.523 62.100 0.003 0.000 1.012 50 T CB 1.901 70.771 68.868 0.003 0.000 1.221 50 T HN 0.707 nan 8.240 nan 0.000 0.499 51 K N 1.135 121.535 120.400 0.000 0.000 2.469 51 K HA 0.205 4.525 4.320 0.000 0.000 0.204 51 K C -0.758 175.841 176.600 -0.002 0.000 1.047 51 K CA -0.213 56.074 56.287 -0.001 0.000 1.072 51 K CB 0.518 33.017 32.500 -0.002 0.000 0.863 51 K HN 0.481 nan 8.250 nan 0.000 0.530 52 D N -0.191 120.208 120.400 -0.002 0.000 2.427 52 D HA 0.127 4.767 4.640 0.000 0.000 0.226 52 D C 1.107 177.405 176.300 -0.004 0.000 1.076 52 D CA -0.358 53.640 54.000 -0.003 0.000 0.849 52 D CB 1.354 42.153 40.800 -0.002 0.000 1.052 52 D HN 0.178 nan 8.370 nan 0.000 0.515 53 G N 2.457 111.254 108.800 -0.006 0.000 2.485 53 G HA2 -0.230 3.730 3.960 0.000 0.000 0.221 53 G HA3 -0.230 3.730 3.960 0.000 0.000 0.221 53 G C 1.411 176.306 174.900 -0.009 0.000 1.115 53 G CA 0.818 45.915 45.100 -0.006 0.000 0.751 53 G HN 0.475 nan 8.290 nan 0.000 0.567 54 V N 0.600 120.508 119.914 -0.011 0.000 2.379 54 V HA -0.148 3.972 4.120 0.000 0.000 0.245 54 V C 3.050 179.139 176.094 -0.009 0.000 1.044 54 V CA 2.053 64.344 62.300 -0.014 0.000 1.036 54 V CB -0.407 31.405 31.823 -0.017 0.000 0.664 54 V HN 0.379 nan 8.190 nan 0.000 0.453 55 S N 0.050 115.747 115.700 -0.004 0.000 2.359 55 S HA -0.219 4.251 4.470 0.000 0.000 0.222 55 S C 2.017 176.617 174.600 -0.000 0.000 1.038 55 S CA 1.822 60.022 58.200 -0.001 0.000 1.051 55 S CB -0.375 62.826 63.200 0.001 0.000 0.944 55 S HN 0.353 nan 8.310 nan 0.000 0.433 56 V N 2.251 122.164 119.914 -0.001 0.000 2.219 56 V HA -0.303 3.817 4.120 0.000 0.000 0.248 56 V C 2.687 178.780 176.094 -0.002 0.000 1.053 56 V CA 1.991 64.291 62.300 -0.000 0.000 1.009 56 V CB -1.447 30.375 31.823 -0.000 0.000 0.636 56 V HN 0.578 nan 8.190 nan 0.000 0.445 57 A N 0.147 122.965 122.820 -0.004 0.000 1.915 57 A HA -0.378 3.942 4.320 0.000 0.000 0.220 57 A C 2.361 179.941 177.584 -0.006 0.000 1.198 57 A CA 2.795 54.829 52.037 -0.006 0.000 0.647 57 A CB -0.789 18.204 19.000 -0.011 0.000 0.825 57 A HN 0.577 nan 8.150 nan 0.000 0.456 58 R N -0.828 119.669 120.500 -0.006 0.000 2.139 58 R HA -0.208 4.132 4.340 0.000 0.000 0.243 58 R C 1.648 177.947 176.300 -0.002 0.000 1.145 58 R CA 1.939 58.036 56.100 -0.005 0.000 0.976 58 R CB -0.181 30.117 30.300 -0.003 0.000 0.866 58 R HN 0.437 nan 8.270 nan 0.000 0.449 59 E N -0.077 120.123 120.200 0.001 0.000 2.385 59 E HA 0.086 4.436 4.350 0.000 0.000 0.194 59 E C -0.173 176.428 176.600 0.002 0.000 1.013 59 E CA 0.143 56.545 56.400 0.003 0.000 0.866 59 E CB 0.251 29.954 29.700 0.005 0.000 0.832 59 E HN 0.206 nan 8.360 nan 0.000 0.500 60 I N 2.298 122.869 120.570 0.000 0.000 2.436 60 I HA 0.114 4.284 4.170 0.000 0.000 0.289 60 I C 0.261 176.378 176.117 0.000 0.000 1.083 60 I CA 0.266 61.566 61.300 0.001 0.000 1.372 60 I CB -0.100 37.901 38.000 0.002 0.000 1.408 60 I HN 0.050 nan 8.210 nan 0.000 0.516 61 E N 7.696 127.897 120.200 0.001 0.000 2.290 61 E HA 0.559 4.909 4.350 0.000 0.000 0.274 61 E C -1.732 174.869 176.600 0.002 0.000 0.889 61 E CA -0.631 55.769 56.400 0.000 0.000 0.760 61 E CB 1.814 31.512 29.700 -0.002 0.000 1.206 61 E HN 0.446 nan 8.360 nan 0.000 0.419 62 L N 2.947 124.172 121.223 0.004 0.000 2.365 62 L HA 0.429 4.769 4.340 0.000 0.000 0.267 62 L C 1.505 178.379 176.870 0.007 0.000 1.033 62 L CA -0.639 54.206 54.840 0.009 0.000 0.802 62 L CB 1.115 43.184 42.059 0.017 0.000 1.267 62 L HN 0.733 nan 8.230 nan 0.000 0.457 63 E N -0.098 120.109 120.200 0.011 0.000 2.076 63 E HA -0.131 4.219 4.350 0.000 0.000 0.190 63 E C 0.324 176.933 176.600 0.014 0.000 0.979 63 E CA 0.241 56.646 56.400 0.009 0.000 0.807 63 E CB 0.297 30.004 29.700 0.011 0.000 0.761 63 E HN 0.608 nan 8.360 nan 0.000 0.454 64 D N 1.845 122.265 120.400 0.033 0.000 2.389 64 D HA -0.040 4.600 4.640 0.000 0.000 0.263 64 D C -0.273 176.059 176.300 0.054 0.000 1.255 64 D CA 0.250 54.289 54.000 0.066 0.000 0.914 64 D CB 0.545 41.399 40.800 0.090 0.000 1.116 64 D HN 0.096 nan 8.370 nan 0.000 0.502 65 K N 2.777 123.174 120.400 -0.005 0.000 2.181 65 K HA 0.070 4.390 4.320 0.000 0.000 0.239 65 K C 0.848 177.435 176.600 -0.021 0.000 1.073 65 K CA -0.534 55.687 56.287 -0.111 0.000 0.839 65 K CB 0.550 32.882 32.500 -0.279 0.000 1.116 65 K HN 0.373 nan 8.250 nan 0.000 0.518 66 F N -1.113 118.827 119.950 -0.017 0.000 2.532 66 F HA -0.371 4.156 4.527 0.000 0.000 0.744 66 F C 1.992 177.785 175.800 -0.013 0.000 0.485 66 F CA 1.866 59.855 58.000 -0.019 0.000 0.751 66 F CB -1.419 37.570 39.000 -0.018 0.000 1.607 66 F HN 0.738 nan 8.300 nan 0.000 0.276 67 E N 0.152 120.484 120.200 0.221 0.000 2.086 67 E HA -0.320 4.030 4.350 0.000 0.000 0.200 67 E C 1.642 178.284 176.600 0.070 0.000 1.012 67 E CA 1.914 58.379 56.400 0.107 0.000 0.812 67 E CB -0.383 29.367 29.700 0.083 0.000 0.743 67 E HN 0.509 nan 8.360 nan 0.000 0.453 68 N N 0.009 118.741 118.700 0.053 0.000 2.084 68 N HA -0.159 4.582 4.740 0.000 0.000 0.190 68 N C 1.790 177.309 175.510 0.015 0.000 1.030 68 N CA 1.488 54.550 53.050 0.020 0.000 0.849 68 N CB -0.020 38.466 38.487 -0.003 0.000 1.012 68 N HN 0.094 nan 8.380 nan 0.000 0.423 69 M N -0.544 119.066 119.600 0.016 0.000 2.149 69 M HA -0.077 4.403 4.480 0.000 0.000 0.261 69 M C 2.186 178.504 176.300 0.029 0.000 1.064 69 M CA 1.608 56.915 55.300 0.012 0.000 1.102 69 M CB -0.699 31.911 32.600 0.017 0.000 1.369 69 M HN 0.343 nan 8.290 nan 0.000 0.408 70 G N 0.333 109.162 108.800 0.048 0.000 2.511 70 G HA2 -0.190 3.771 3.960 0.000 0.000 0.216 70 G HA3 -0.190 3.771 3.960 0.000 0.000 0.216 70 G C 1.649 176.565 174.900 0.026 0.000 1.218 70 G CA 1.186 46.310 45.100 0.040 0.000 0.788 70 G HN 0.537 nan 8.290 nan 0.000 0.560 71 A N -0.231 122.602 122.820 0.023 0.000 1.892 71 A HA -0.139 4.181 4.320 0.000 0.000 0.218 71 A C 2.415 180.004 177.584 0.008 0.000 1.188 71 A CA 2.240 54.285 52.037 0.014 0.000 0.631 71 A CB -0.469 18.538 19.000 0.012 0.000 0.822 71 A HN 0.337 nan 8.150 nan 0.000 0.447 72 Q N -0.852 118.952 119.800 0.005 0.000 2.124 72 Q HA -0.104 4.237 4.340 0.000 0.000 0.202 72 Q C 2.124 178.124 176.000 -0.001 0.000 0.977 72 Q CA 1.624 57.426 55.803 -0.002 0.000 0.850 72 Q CB -0.492 28.241 28.738 -0.007 0.000 0.901 72 Q HN 0.801 nan 8.270 nan 0.000 0.429 73 M N -0.613 118.992 119.600 0.007 0.000 2.086 73 M HA -0.151 4.329 4.480 0.000 0.000 0.261 73 M C 2.241 178.549 176.300 0.012 0.000 1.067 73 M CA 1.097 56.404 55.300 0.011 0.000 1.116 73 M CB -0.312 32.299 32.600 0.019 0.000 1.348 73 M HN -0.045 nan 8.290 nan 0.000 0.407 74 V N 0.506 120.428 119.914 0.013 0.000 2.255 74 V HA -0.312 3.808 4.120 0.000 0.000 0.247 74 V C 2.203 178.294 176.094 -0.004 0.000 1.051 74 V CA 1.916 64.222 62.300 0.011 0.000 1.018 74 V CB -0.770 31.061 31.823 0.013 0.000 0.641 74 V HN 0.431 nan 8.190 nan 0.000 0.445 75 K N -0.349 120.045 120.400 -0.009 0.000 2.107 75 K HA -0.299 4.021 4.320 0.000 0.000 0.211 75 K C 2.285 178.864 176.600 -0.035 0.000 1.049 75 K CA 2.169 58.444 56.287 -0.021 0.000 0.927 75 K CB -0.260 32.230 32.500 -0.016 0.000 0.714 75 K HN 0.536 nan 8.250 nan 0.000 0.452 76 E N 0.314 120.498 120.200 -0.027 0.000 2.051 76 E HA -0.177 4.173 4.350 0.000 0.000 0.192 76 E C 1.992 178.550 176.600 -0.071 0.000 0.991 76 E CA 1.131 57.509 56.400 -0.037 0.000 0.799 76 E CB 0.123 29.812 29.700 -0.017 0.000 0.748 76 E HN 0.100 nan 8.360 nan 0.000 0.449 77 V N 0.373 120.256 119.914 -0.052 0.000 2.535 77 V HA -0.084 4.036 4.120 0.000 0.000 0.246 77 V C 2.161 178.119 176.094 -0.227 0.000 1.045 77 V CA 1.517 63.770 62.300 -0.079 0.000 1.058 77 V CB -0.019 31.848 31.823 0.072 0.000 0.689 77 V HN 0.386 nan 8.190 nan 0.000 0.461 78 A N -0.637 122.110 122.820 -0.122 0.000 1.933 78 A HA -0.202 4.118 4.320 0.000 0.000 0.218 78 A C 2.548 180.023 177.584 -0.183 0.000 1.175 78 A CA 2.156 54.117 52.037 -0.126 0.000 0.628 78 A CB -0.791 18.177 19.000 -0.053 0.000 0.814 78 A HN 0.618 nan 8.150 nan 0.000 0.444 79 S N -0.100 115.503 115.700 -0.160 0.000 2.402 79 S HA -0.167 4.303 4.470 0.000 0.000 0.229 79 S C 1.925 176.395 174.600 -0.217 0.000 1.021 79 S CA 1.522 59.632 58.200 -0.150 0.000 0.974 79 S CB -0.356 62.786 63.200 -0.098 0.000 0.800 79 S HN 0.612 nan 8.310 nan 0.000 0.484 80 K N 1.249 121.450 120.400 -0.332 0.000 2.057 80 K HA 0.004 4.324 4.320 0.000 0.000 0.207 80 K C 2.527 178.766 176.600 -0.603 0.000 1.049 80 K CA 1.117 57.134 56.287 -0.450 0.000 0.931 80 K CB -0.595 31.546 32.500 -0.598 0.000 0.714 80 K HN 0.471 nan 8.250 nan 0.000 0.440 81 A N 2.764 125.108 122.820 -0.794 0.000 1.859 81 A HA -0.290 4.030 4.320 0.000 0.000 0.217 81 A C 2.130 179.606 177.584 -0.180 0.000 1.198 81 A CA 2.034 53.825 52.037 -0.411 0.000 0.629 81 A CB -0.931 17.968 19.000 -0.168 0.000 0.830 81 A HN 0.375 nan 8.150 nan 0.000 0.446 82 N N -0.095 118.499 118.700 -0.177 0.000 2.094 82 N HA -0.215 4.525 4.740 0.000 0.000 0.191 82 N C 1.237 176.663 175.510 -0.139 0.000 1.023 82 N CA 1.920 54.886 53.050 -0.141 0.000 0.857 82 N CB -0.428 37.982 38.487 -0.128 0.000 1.013 82 N HN 0.419 nan 8.380 nan 0.000 0.426 83 D N 0.381 120.698 120.400 -0.139 0.000 2.116 83 D HA -0.127 4.513 4.640 0.000 0.000 0.193 83 D C 1.509 177.777 176.300 -0.053 0.000 0.998 83 D CA 1.559 55.505 54.000 -0.092 0.000 0.836 83 D CB -0.311 40.434 40.800 -0.091 0.000 0.951 83 D HN 0.445 nan 8.370 nan 0.000 0.449 84 A N -0.578 122.221 122.820 -0.034 0.000 2.178 84 A HA 0.407 4.727 4.320 0.000 0.000 0.211 84 A C 1.852 179.447 177.584 0.020 0.000 1.157 84 A CA 1.278 53.331 52.037 0.027 0.000 0.780 84 A CB 0.283 19.347 19.000 0.106 0.000 0.828 84 A HN 0.225 nan 8.150 nan 0.000 0.476 85 A N -2.757 120.050 122.820 -0.022 0.000 2.066 85 A HA 0.490 4.810 4.320 0.000 0.000 0.198 85 A C 1.583 179.109 177.584 -0.097 0.000 1.405 85 A CA 1.128 53.149 52.037 -0.026 0.000 0.973 85 A CB 0.048 19.047 19.000 -0.002 0.000 1.026 85 A HN 1.686 nan 8.150 nan 0.000 0.474 86 G N -1.241 107.431 108.800 -0.212 0.000 2.192 86 G HA2 0.023 3.983 3.960 0.000 0.000 0.193 86 G HA3 0.023 3.983 3.960 0.000 0.000 0.193 86 G C -0.367 174.363 174.900 -0.283 0.000 0.999 86 G CA 0.377 45.201 45.100 -0.460 0.000 0.659 86 G HN 0.785 nan 8.290 nan 0.000 0.503 87 D N -2.667 117.638 120.400 -0.159 0.000 2.807 87 D HA 0.560 5.200 4.640 0.000 0.000 0.279 87 D C 0.894 177.155 176.300 -0.065 0.000 1.247 87 D CA 1.369 55.311 54.000 -0.097 0.000 0.749 87 D CB 0.478 41.238 40.800 -0.066 0.000 1.264 87 D HN 1.367 nan 8.370 nan 0.000 0.421 88 G N -0.397 108.376 108.800 -0.045 0.000 2.231 88 G HA2 -0.292 3.668 3.960 0.000 0.000 0.206 88 G HA3 -0.292 3.668 3.960 0.000 0.000 0.206 88 G C 1.151 176.035 174.900 -0.027 0.000 0.996 88 G CA 1.029 46.114 45.100 -0.024 0.000 0.645 88 G HN 0.652 nan 8.290 nan 0.000 0.498 89 T N 1.183 115.709 114.554 -0.047 0.000 2.635 89 T HA -0.298 4.052 4.350 0.000 0.000 0.265 89 T C 2.343 177.025 174.700 -0.030 0.000 1.058 89 T CA 2.852 64.922 62.100 -0.050 0.000 1.162 89 T CB -0.963 67.873 68.868 -0.054 0.000 0.859 89 T HN 0.562 nan 8.240 nan 0.000 0.449 90 T N 1.480 116.021 114.554 -0.022 0.000 2.770 90 T HA -0.076 4.274 4.350 0.000 0.000 0.263 90 T C 2.369 177.067 174.700 -0.003 0.000 1.039 90 T CA 1.613 63.706 62.100 -0.011 0.000 1.142 90 T CB -0.758 68.105 68.868 -0.008 0.000 0.868 90 T HN 0.457 nan 8.240 nan 0.000 0.435 91 T N 2.225 116.778 114.554 -0.001 0.000 2.708 91 T HA -0.033 4.317 4.350 0.000 0.000 0.266 91 T C 2.456 177.165 174.700 0.015 0.000 1.037 91 T CA 1.191 63.296 62.100 0.008 0.000 1.146 91 T CB -0.699 68.175 68.868 0.010 0.000 0.865 91 T HN 0.422 nan 8.240 nan 0.000 0.435 92 A N 1.472 124.302 122.820 0.016 0.000 1.903 92 A HA -0.239 4.081 4.320 0.000 0.000 0.219 92 A C 2.548 180.146 177.584 0.024 0.000 1.191 92 A CA 2.540 54.595 52.037 0.030 0.000 0.638 92 A CB -1.504 17.510 19.000 0.025 0.000 0.823 92 A HN 0.503 nan 8.150 nan 0.000 0.451 93 T N -0.448 114.112 114.554 0.010 0.000 2.720 93 T HA -0.124 4.226 4.350 0.000 0.000 0.268 93 T C 1.871 176.579 174.700 0.013 0.000 1.037 93 T CA 1.624 63.729 62.100 0.009 0.000 1.144 93 T CB -0.495 68.374 68.868 0.001 0.000 0.864 93 T HN 0.193 nan 8.240 nan 0.000 0.444 94 V N 1.291 121.212 119.914 0.012 0.000 2.343 94 V HA -0.108 4.012 4.120 0.000 0.000 0.247 94 V C 2.425 178.529 176.094 0.017 0.000 1.051 94 V CA 1.471 63.779 62.300 0.013 0.000 1.036 94 V CB -0.645 31.185 31.823 0.013 0.000 0.654 94 V HN 0.414 nan 8.190 nan 0.000 0.451 95 L N -0.110 121.125 121.223 0.020 0.000 2.072 95 L HA -0.036 4.304 4.340 0.000 0.000 0.205 95 L C 2.753 179.637 176.870 0.024 0.000 1.079 95 L CA 1.261 56.115 54.840 0.023 0.000 0.752 95 L CB -0.819 41.257 42.059 0.027 0.000 0.906 95 L HN 0.312 nan 8.230 nan 0.000 0.436 96 A N -0.193 122.643 122.820 0.028 0.000 1.884 96 A HA -0.347 3.973 4.320 0.000 0.000 0.219 96 A C 2.283 179.880 177.584 0.022 0.000 1.197 96 A CA 2.309 54.363 52.037 0.029 0.000 0.637 96 A CB -0.768 18.250 19.000 0.031 0.000 0.827 96 A HN 0.520 nan 8.150 nan 0.000 0.450 97 Q N -0.648 119.163 119.800 0.019 0.000 2.061 97 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 97 Q C 2.247 178.256 176.000 0.015 0.000 0.984 97 Q CA 1.908 57.721 55.803 0.016 0.000 0.846 97 Q CB -0.396 28.349 28.738 0.013 0.000 0.902 97 Q HN 0.610 nan 8.270 nan 0.000 0.421 98 A N 0.828 123.657 122.820 0.015 0.000 1.892 98 A HA -0.214 4.106 4.320 0.000 0.000 0.218 98 A C 2.001 179.593 177.584 0.013 0.000 1.188 98 A CA 1.790 53.836 52.037 0.014 0.000 0.631 98 A CB -0.787 18.221 19.000 0.014 0.000 0.822 98 A HN 0.493 nan 8.150 nan 0.000 0.447 99 I N -0.298 120.281 120.570 0.015 0.000 2.163 99 I HA -0.243 3.928 4.170 0.000 0.000 0.240 99 I C 2.313 178.437 176.117 0.013 0.000 1.081 99 I CA 1.415 62.723 61.300 0.014 0.000 1.353 99 I CB -0.415 37.594 38.000 0.015 0.000 1.054 99 I HN 0.281 nan 8.210 nan 0.000 0.407 100 I N 0.353 120.932 120.570 0.015 0.000 2.264 100 I HA -0.289 3.881 4.170 0.000 0.000 0.248 100 I C 2.557 178.681 176.117 0.012 0.000 1.111 100 I CA 1.529 62.838 61.300 0.014 0.000 1.382 100 I CB -0.757 37.253 38.000 0.016 0.000 1.060 100 I HN 0.299 nan 8.210 nan 0.000 0.418 101 T N 0.163 114.723 114.554 0.011 0.000 2.674 101 T HA -0.148 4.202 4.350 0.000 0.000 0.265 101 T C 1.863 176.568 174.700 0.008 0.000 1.039 101 T CA 1.296 63.401 62.100 0.009 0.000 1.150 101 T CB -0.101 68.773 68.868 0.009 0.000 0.864 101 T HN 0.291 nan 8.240 nan 0.000 0.427 102 E N 0.436 120.641 120.200 0.008 0.000 2.112 102 E HA 0.054 4.404 4.350 0.000 0.000 0.190 102 E C 2.552 179.156 176.600 0.007 0.000 0.979 102 E CA 0.795 57.199 56.400 0.007 0.000 0.814 102 E CB -0.694 29.011 29.700 0.007 0.000 0.762 102 E HN 0.532 nan 8.360 nan 0.000 0.460 103 G N 1.092 109.897 108.800 0.008 0.000 2.422 103 G HA2 -0.211 3.749 3.960 0.000 0.000 0.218 103 G HA3 -0.211 3.749 3.960 0.000 0.000 0.218 103 G C 1.507 176.411 174.900 0.007 0.000 1.146 103 G CA 0.346 45.450 45.100 0.008 0.000 0.769 103 G HN 0.160 nan 8.290 nan 0.000 0.547 104 L N 0.029 121.256 121.223 0.008 0.000 2.341 104 L HA 0.291 4.631 4.340 0.000 0.000 0.214 104 L C 2.591 179.464 176.870 0.005 0.000 1.115 104 L CA 1.138 55.983 54.840 0.007 0.000 0.820 104 L CB -0.344 41.719 42.059 0.007 0.000 0.944 104 L HN 0.123 nan 8.230 nan 0.000 0.452 105 K N -0.909 119.494 120.400 0.005 0.000 2.001 105 K HA -0.089 4.231 4.320 0.000 0.000 0.208 105 K C 2.146 178.748 176.600 0.004 0.000 1.048 105 K CA 1.326 57.616 56.287 0.004 0.000 0.932 105 K CB -0.315 32.187 32.500 0.004 0.000 0.715 105 K HN 0.318 nan 8.250 nan 0.000 0.437 106 A N 1.174 123.996 122.820 0.004 0.000 1.903 106 A HA -0.210 4.110 4.320 0.000 0.000 0.219 106 A C 2.361 179.948 177.584 0.004 0.000 1.191 106 A CA 2.288 54.327 52.037 0.004 0.000 0.638 106 A CB -1.213 17.790 19.000 0.004 0.000 0.823 106 A HN 0.273 nan 8.150 nan 0.000 0.451 107 V N -2.014 117.903 119.914 0.005 0.000 2.407 107 V HA -0.052 4.068 4.120 0.000 0.000 0.248 107 V C 2.402 178.498 176.094 0.005 0.000 1.055 107 V CA 2.329 64.633 62.300 0.006 0.000 1.049 107 V CB -1.102 30.726 31.823 0.008 0.000 0.662 107 V HN 0.622 nan 8.190 nan 0.000 0.455 108 A N -0.069 122.753 122.820 0.004 0.000 2.119 108 A HA 0.444 4.764 4.320 0.000 0.000 0.216 108 A C 2.314 179.899 177.584 0.001 0.000 1.152 108 A CA 1.370 53.409 52.037 0.002 0.000 0.708 108 A CB -0.677 18.324 19.000 0.001 0.000 0.805 108 A HN 1.050 nan 8.150 nan 0.000 0.460 109 A N -1.588 121.233 122.820 0.002 0.000 2.178 109 A HA 0.424 4.744 4.320 0.000 0.000 0.211 109 A C 1.619 179.203 177.584 0.001 0.000 1.157 109 A CA 1.131 53.169 52.037 0.001 0.000 0.780 109 A CB -0.601 18.400 19.000 0.001 0.000 0.828 109 A HN 1.791 nan 8.150 nan 0.000 0.476 110 G N -1.195 107.606 108.800 0.002 0.000 2.164 110 G HA2 -0.186 3.774 3.960 0.000 0.000 0.212 110 G HA3 -0.186 3.774 3.960 0.000 0.000 0.212 110 G C 0.016 174.917 174.900 0.002 0.000 1.031 110 G CA 0.250 45.351 45.100 0.002 0.000 0.730 110 G HN 0.348 nan 8.290 nan 0.000 0.501 111 M N -0.076 119.525 119.600 0.003 0.000 2.369 111 M HA 0.367 4.847 4.480 0.000 0.000 0.291 111 M C 0.711 177.014 176.300 0.004 0.000 1.178 111 M CA -0.834 54.468 55.300 0.003 0.000 0.996 111 M CB 0.570 33.172 32.600 0.003 0.000 1.472 111 M HN 0.125 nan 8.290 nan 0.000 0.496 112 N N 1.371 120.074 118.700 0.004 0.000 2.406 112 N HA 0.184 4.924 4.740 0.000 0.000 0.251 112 N C -2.187 173.326 175.510 0.006 0.000 1.069 112 N CA -1.559 51.494 53.050 0.005 0.000 0.947 112 N CB 1.206 39.696 38.487 0.004 0.000 1.111 112 N HN 0.224 nan 8.380 nan 0.000 0.497 113 P HA -0.136 nan 4.420 nan 0.000 0.216 113 P C 1.314 178.619 177.300 0.008 0.000 1.150 113 P CA 1.258 64.363 63.100 0.009 0.000 0.843 113 P CB 0.298 32.005 31.700 0.012 0.000 0.787 114 M N -1.074 118.530 119.600 0.007 0.000 2.288 114 M HA -0.069 4.411 4.480 0.000 0.000 0.266 114 M C 1.380 177.683 176.300 0.005 0.000 1.072 114 M CA 1.525 56.829 55.300 0.006 0.000 1.132 114 M CB -0.667 31.937 32.600 0.007 0.000 1.386 114 M HN -0.227 nan 8.290 nan 0.000 0.432 115 D N -0.235 120.167 120.400 0.004 0.000 2.178 115 D HA -0.094 4.546 4.640 0.000 0.000 0.202 115 D C 2.013 178.314 176.300 0.003 0.000 0.974 115 D CA 1.184 55.185 54.000 0.003 0.000 0.841 115 D CB -0.140 40.662 40.800 0.003 0.000 0.953 115 D HN 0.357 nan 8.370 nan 0.000 0.478 116 L N 0.727 121.953 121.223 0.004 0.000 2.027 116 L HA -0.155 4.185 4.340 0.000 0.000 0.206 116 L C 2.578 179.451 176.870 0.004 0.000 1.074 116 L CA 1.064 55.906 54.840 0.004 0.000 0.745 116 L CB -0.382 41.680 42.059 0.006 0.000 0.898 116 L HN -0.034 nan 8.230 nan 0.000 0.433 117 K N 0.475 120.878 120.400 0.004 0.000 2.020 117 K HA -0.271 4.049 4.320 0.000 0.000 0.212 117 K C 2.293 178.894 176.600 0.001 0.000 1.050 117 K CA 1.687 57.976 56.287 0.003 0.000 0.929 117 K CB -0.065 32.437 32.500 0.004 0.000 0.714 117 K HN 0.031 nan 8.250 nan 0.000 0.443 118 R N -0.289 120.212 120.500 0.001 0.000 2.115 118 R HA -0.180 4.160 4.340 0.000 0.000 0.239 118 R C 2.347 178.646 176.300 -0.001 0.000 1.133 118 R CA 2.216 58.316 56.100 -0.001 0.000 0.935 118 R CB -0.941 29.360 30.300 0.000 0.000 0.853 118 R HN 0.468 nan 8.270 nan 0.000 0.433 119 G N 0.584 109.384 108.800 0.000 0.000 2.491 119 G HA2 -0.299 3.661 3.960 0.000 0.000 0.218 119 G HA3 -0.299 3.661 3.960 0.000 0.000 0.218 119 G C 1.480 176.380 174.900 0.001 0.000 1.180 119 G CA 1.351 46.451 45.100 0.001 0.000 0.774 119 G HN 0.338 nan 8.290 nan 0.000 0.562 120 I N 1.066 121.637 120.570 0.001 0.000 2.118 120 I HA -0.209 3.961 4.170 0.000 0.000 0.241 120 I C 2.334 178.449 176.117 -0.002 0.000 1.070 120 I CA 1.626 62.927 61.300 0.001 0.000 1.327 120 I CB -0.213 37.788 38.000 0.003 0.000 1.034 120 I HN 0.080 nan 8.210 nan 0.000 0.405 121 D N 0.415 120.813 120.400 -0.004 0.000 2.219 121 D HA -0.169 4.471 4.640 0.000 0.000 0.205 121 D C 2.064 178.359 176.300 -0.009 0.000 0.970 121 D CA 0.971 54.965 54.000 -0.009 0.000 0.851 121 D CB -0.154 40.639 40.800 -0.011 0.000 0.943 121 D HN 0.324 nan 8.370 nan 0.000 0.488 122 K N 0.702 121.099 120.400 -0.005 0.000 1.984 122 K HA -0.078 4.242 4.320 0.000 0.000 0.209 122 K C 2.119 178.717 176.600 -0.003 0.000 1.046 122 K CA 1.057 57.341 56.287 -0.004 0.000 0.934 122 K CB -0.085 32.413 32.500 -0.002 0.000 0.717 122 K HN -0.026 nan 8.250 nan 0.000 0.438 123 A N 0.939 123.759 122.820 -0.001 0.000 1.915 123 A HA -0.223 4.097 4.320 0.000 0.000 0.220 123 A C 2.286 179.870 177.584 -0.000 0.000 1.198 123 A CA 2.324 54.362 52.037 0.001 0.000 0.647 123 A CB -1.048 17.953 19.000 0.003 0.000 0.825 123 A HN 0.212 nan 8.150 nan 0.000 0.456 124 V N -0.803 119.109 119.914 -0.003 0.000 2.261 124 V HA -0.249 3.871 4.120 0.000 0.000 0.246 124 V C 2.711 178.800 176.094 -0.009 0.000 1.047 124 V CA 2.534 64.831 62.300 -0.006 0.000 1.015 124 V CB -1.409 30.407 31.823 -0.012 0.000 0.642 124 V HN 0.631 nan 8.190 nan 0.000 0.446 125 T N 0.351 114.898 114.554 -0.011 0.000 2.653 125 T HA -0.270 4.080 4.350 0.000 0.000 0.268 125 T C 1.982 176.679 174.700 -0.006 0.000 1.035 125 T CA 2.009 64.103 62.100 -0.011 0.000 1.154 125 T CB -0.442 68.420 68.868 -0.010 0.000 0.862 125 T HN 0.600 nan 8.240 nan 0.000 0.441 126 A N 0.995 123.813 122.820 -0.003 0.000 1.872 126 A HA 0.292 4.612 4.320 0.000 0.000 0.214 126 A C 2.611 180.197 177.584 0.002 0.000 1.187 126 A CA 1.669 53.706 52.037 0.000 0.000 0.614 126 A CB -1.009 17.991 19.000 0.001 0.000 0.826 126 A HN 0.507 nan 8.150 nan 0.000 0.442 127 A N -0.520 122.302 122.820 0.003 0.000 1.930 127 A HA 0.078 4.398 4.320 0.000 0.000 0.217 127 A C 2.181 179.769 177.584 0.005 0.000 1.175 127 A CA 1.534 53.575 52.037 0.006 0.000 0.627 127 A CB -0.844 18.160 19.000 0.008 0.000 0.815 127 A HN 0.345 nan 8.150 nan 0.000 0.443 128 V N 0.008 119.923 119.914 0.001 0.000 2.287 128 V HA -0.292 3.828 4.120 0.000 0.000 0.248 128 V C 2.564 178.660 176.094 0.003 0.000 1.053 128 V CA 2.492 64.792 62.300 0.000 0.000 1.027 128 V CB -0.807 31.012 31.823 -0.007 0.000 0.646 128 V HN 0.591 nan 8.190 nan 0.000 0.447 129 E N 0.083 120.284 120.200 0.002 0.000 2.049 129 E HA -0.220 4.130 4.350 0.000 0.000 0.198 129 E C 2.316 178.920 176.600 0.007 0.000 1.007 129 E CA 1.496 57.898 56.400 0.004 0.000 0.809 129 E CB -0.309 29.393 29.700 0.003 0.000 0.749 129 E HN 0.523 nan 8.360 nan 0.000 0.450 130 E N -0.177 120.028 120.200 0.008 0.000 2.070 130 E HA -0.212 4.138 4.350 0.000 0.000 0.197 130 E C 2.126 178.734 176.600 0.013 0.000 1.004 130 E CA 0.805 57.212 56.400 0.011 0.000 0.805 130 E CB -0.359 29.348 29.700 0.012 0.000 0.744 130 E HN 0.184 nan 8.360 nan 0.000 0.451 131 L N 1.612 122.843 121.223 0.014 0.000 2.043 131 L HA -0.226 4.114 4.340 0.000 0.000 0.212 131 L C 2.225 179.103 176.870 0.015 0.000 1.075 131 L CA 1.743 56.592 54.840 0.015 0.000 0.752 131 L CB -0.502 41.566 42.059 0.014 0.000 0.891 131 L HN 0.068 nan 8.230 nan 0.000 0.432 132 K N -1.113 119.294 120.400 0.012 0.000 2.097 132 K HA -0.132 4.189 4.320 0.000 0.000 0.206 132 K C 2.054 178.661 176.600 0.012 0.000 1.049 132 K CA 1.367 57.661 56.287 0.011 0.000 0.933 132 K CB -0.338 32.167 32.500 0.009 0.000 0.717 132 K HN 0.367 nan 8.250 nan 0.000 0.442 133 A N 1.420 124.248 122.820 0.012 0.000 1.897 133 A HA -0.100 4.220 4.320 0.000 0.000 0.215 133 A C 2.104 179.697 177.584 0.016 0.000 1.181 133 A CA 0.834 52.879 52.037 0.013 0.000 0.620 133 A CB -0.377 18.630 19.000 0.012 0.000 0.821 133 A HN 0.193 nan 8.150 nan 0.000 0.443 134 L N 0.125 121.359 121.223 0.018 0.000 2.093 134 L HA 0.064 4.404 4.340 0.000 0.000 0.208 134 L C 1.438 178.322 176.870 0.022 0.000 1.085 134 L CA 1.231 56.084 54.840 0.023 0.000 0.755 134 L CB -0.672 41.403 42.059 0.026 0.000 0.904 134 L HN 0.253 nan 8.230 nan 0.000 0.435 135 S N -0.545 115.166 115.700 0.019 0.000 2.702 135 S HA 0.040 4.510 4.470 0.000 0.000 0.314 135 S C -0.142 174.468 174.600 0.017 0.000 1.244 135 S CA -0.307 57.904 58.200 0.018 0.000 1.058 135 S CB -0.110 63.099 63.200 0.016 0.000 0.783 135 S HN 0.102 nan 8.310 nan 0.000 0.503 136 V N 9.210 129.135 119.914 0.018 0.000 2.394 136 V HA 0.368 4.488 4.120 0.000 0.000 0.282 136 V C -1.956 174.147 176.094 0.015 0.000 1.031 136 V CA -1.834 60.475 62.300 0.017 0.000 0.881 136 V CB 1.320 33.154 31.823 0.018 0.000 0.982 136 V HN 0.740 nan 8.190 nan 0.000 0.451 137 P HA 0.151 nan 4.420 nan 0.000 0.270 137 P C -0.736 176.571 177.300 0.012 0.000 1.223 137 P CA -0.220 62.887 63.100 0.012 0.000 0.785 137 P CB 0.425 32.132 31.700 0.011 0.000 0.923 138 C N 1.892 121.199 119.300 0.012 0.000 2.407 138 C HA 0.616 5.076 4.460 0.000 0.000 0.328 138 C C 1.141 176.137 174.990 0.010 0.000 1.137 138 C CA 0.348 59.373 59.018 0.011 0.000 1.390 138 C CB -0.484 27.264 27.740 0.012 0.000 1.989 138 C HN 0.641 nan 8.230 nan 0.000 0.432 139 S N 3.069 118.774 115.700 0.009 0.000 3.056 139 S HA 0.204 4.674 4.470 0.000 0.000 0.255 139 S C 0.284 174.887 174.600 0.006 0.000 1.079 139 S CA 0.558 58.763 58.200 0.008 0.000 0.810 139 S CB -0.151 63.054 63.200 0.008 0.000 0.810 139 S HN 0.938 nan 8.310 nan 0.000 0.477 140 D N 1.320 121.723 120.400 0.006 0.000 2.358 140 D HA 0.353 4.993 4.640 0.000 0.000 0.244 140 D C 1.066 177.369 176.300 0.004 0.000 1.163 140 D CA -0.075 53.928 54.000 0.005 0.000 0.945 140 D CB 0.401 41.204 40.800 0.004 0.000 1.152 140 D HN 0.072 nan 8.370 nan 0.000 0.451 141 S N -0.313 115.388 115.700 0.003 0.000 2.380 141 S HA -0.256 4.214 4.470 0.000 0.000 0.229 141 S C 1.578 176.179 174.600 0.002 0.000 1.043 141 S CA 1.756 59.957 58.200 0.002 0.000 1.038 141 S CB -0.349 62.852 63.200 0.001 0.000 0.872 141 S HN 0.639 nan 8.310 nan 0.000 0.456 142 K N 0.903 121.304 120.400 0.003 0.000 2.020 142 K HA -0.152 4.168 4.320 0.000 0.000 0.212 142 K C 2.182 178.784 176.600 0.004 0.000 1.050 142 K CA 1.496 57.785 56.287 0.003 0.000 0.929 142 K CB -0.452 32.050 32.500 0.004 0.000 0.714 142 K HN 0.315 nan 8.250 nan 0.000 0.443 143 A N 1.143 123.967 122.820 0.005 0.000 1.933 143 A HA -0.145 4.175 4.320 0.000 0.000 0.218 143 A C 2.032 179.620 177.584 0.007 0.000 1.175 143 A CA 1.369 53.410 52.037 0.006 0.000 0.628 143 A CB -0.519 18.485 19.000 0.008 0.000 0.814 143 A HN 0.319 nan 8.150 nan 0.000 0.444 144 I N 0.083 120.657 120.570 0.006 0.000 2.113 144 I HA -0.249 3.921 4.170 0.000 0.000 0.238 144 I C 2.960 179.079 176.117 0.005 0.000 1.070 144 I CA 1.524 62.828 61.300 0.006 0.000 1.332 144 I CB -1.663 36.340 38.000 0.004 0.000 1.044 144 I HN 0.358 nan 8.210 nan 0.000 0.402 145 A N -0.155 122.666 122.820 0.003 0.000 1.933 145 A HA -0.271 4.049 4.320 0.000 0.000 0.218 145 A C 2.247 179.832 177.584 0.003 0.000 1.175 145 A CA 1.827 53.865 52.037 0.002 0.000 0.628 145 A CB -0.667 18.333 19.000 0.001 0.000 0.814 145 A HN 0.481 nan 8.150 nan 0.000 0.444 146 Q N 0.164 119.966 119.800 0.003 0.000 1.943 146 Q HA -0.216 4.124 4.340 0.000 0.000 0.213 146 Q C 2.080 178.083 176.000 0.005 0.000 1.017 146 Q CA 3.417 59.222 55.803 0.004 0.000 0.874 146 Q CB -0.821 27.920 28.738 0.005 0.000 0.960 146 Q HN 0.729 nan 8.270 nan 0.000 0.417 147 V N -0.376 119.542 119.914 0.007 0.000 2.490 147 V HA -0.076 4.044 4.120 0.000 0.000 0.250 147 V C 1.892 177.991 176.094 0.009 0.000 1.061 147 V CA 2.562 64.867 62.300 0.008 0.000 1.064 147 V CB -1.363 30.466 31.823 0.011 0.000 0.670 147 V HN 0.514 nan 8.190 nan 0.000 0.461 148 G N 0.782 109.586 108.800 0.008 0.000 2.480 148 G HA2 -0.351 3.610 3.960 0.000 0.000 0.216 148 G HA3 -0.351 3.610 3.960 0.000 0.000 0.216 148 G C 1.803 176.706 174.900 0.005 0.000 1.200 148 G CA 2.451 47.555 45.100 0.007 0.000 0.782 148 G HN 0.752 nan 8.290 nan 0.000 0.554 149 T N 0.317 114.873 114.554 0.002 0.000 2.684 149 T HA -0.129 4.221 4.350 0.000 0.000 0.267 149 T C 2.413 177.113 174.700 -0.001 0.000 1.036 149 T CA 1.510 63.610 62.100 0.000 0.000 1.148 149 T CB -0.398 68.469 68.868 -0.001 0.000 0.863 149 T HN 0.236 nan 8.240 nan 0.000 0.436 150 I N 1.658 122.228 120.570 -0.000 0.000 2.226 150 I HA -0.133 4.037 4.170 0.000 0.000 0.245 150 I C 3.007 179.123 176.117 -0.001 0.000 1.100 150 I CA 1.475 62.773 61.300 -0.003 0.000 1.374 150 I CB -0.518 37.480 38.000 -0.003 0.000 1.057 150 I HN 0.314 nan 8.210 nan 0.000 0.413 151 S N 0.220 115.922 115.700 0.004 0.000 2.481 151 S HA 0.062 4.532 4.470 0.000 0.000 0.231 151 S C 1.634 176.239 174.600 0.008 0.000 0.996 151 S CA 0.919 59.124 58.200 0.008 0.000 0.942 151 S CB -0.118 63.091 63.200 0.016 0.000 0.768 151 S HN 0.439 nan 8.310 nan 0.000 0.520 152 A N 1.328 124.150 122.820 0.004 0.000 2.545 152 A HA 0.415 4.735 4.320 0.000 0.000 0.277 152 A C 0.467 178.050 177.584 -0.001 0.000 1.301 152 A CA -0.224 51.815 52.037 0.003 0.000 0.935 152 A CB -0.600 18.402 19.000 0.002 0.000 1.093 152 A HN 0.673 nan 8.150 nan 0.000 0.519 153 N N 0.319 119.017 118.700 -0.003 0.000 2.729 153 N HA -0.199 4.541 4.740 0.000 0.000 0.259 153 N C 0.154 175.659 175.510 -0.008 0.000 1.119 153 N CA 0.524 53.569 53.050 -0.007 0.000 0.679 153 N CB -1.100 37.383 38.487 -0.007 0.000 0.892 153 N HN 0.406 nan 8.380 nan 0.000 0.558 154 S N -0.820 114.875 115.700 -0.008 0.000 3.143 154 S HA -0.235 4.235 4.470 0.000 0.000 0.291 154 S C -0.165 174.431 174.600 -0.006 0.000 1.294 154 S CA 1.425 59.620 58.200 -0.008 0.000 1.115 154 S CB -0.688 62.506 63.200 -0.010 0.000 1.318 154 S HN 0.799 nan 8.310 nan 0.000 0.685 155 D N 1.224 121.621 120.400 -0.005 0.000 2.365 155 D HA 0.287 4.927 4.640 0.000 0.000 0.237 155 D C 0.959 177.257 176.300 -0.004 0.000 1.190 155 D CA -0.185 53.812 54.000 -0.004 0.000 0.867 155 D CB 0.573 41.371 40.800 -0.004 0.000 1.050 155 D HN 0.407 nan 8.370 nan 0.000 0.491 156 E N 1.122 121.319 120.200 -0.004 0.000 2.204 156 E HA -0.152 4.198 4.350 0.000 0.000 0.194 156 E C 1.746 178.345 176.600 -0.003 0.000 0.989 156 E CA 1.221 57.619 56.400 -0.003 0.000 0.824 156 E CB 0.280 29.978 29.700 -0.003 0.000 0.756 156 E HN 0.649 nan 8.360 nan 0.000 0.477 157 T N -1.659 112.893 114.554 -0.004 0.000 2.867 157 T HA -0.090 4.260 4.350 0.000 0.000 0.268 157 T C 2.010 176.707 174.700 -0.005 0.000 1.057 157 T CA 1.006 63.104 62.100 -0.004 0.000 1.136 157 T CB -0.339 68.526 68.868 -0.005 0.000 0.874 157 T HN -0.042 nan 8.240 nan 0.000 0.466 158 V N 1.912 121.823 119.914 -0.004 0.000 2.358 158 V HA 0.070 4.190 4.120 0.000 0.000 0.246 158 V C 3.165 179.257 176.094 -0.004 0.000 1.047 158 V CA 1.641 63.938 62.300 -0.004 0.000 1.035 158 V CB -1.607 30.214 31.823 -0.003 0.000 0.658 158 V HN 0.646 nan 8.190 nan 0.000 0.452 159 G N -0.158 108.640 108.800 -0.002 0.000 2.476 159 G HA2 -0.349 3.611 3.960 0.000 0.000 0.218 159 G HA3 -0.349 3.611 3.960 0.000 0.000 0.218 159 G C 1.630 176.528 174.900 -0.002 0.000 1.164 159 G CA 1.332 46.432 45.100 -0.001 0.000 0.768 159 G HN 0.492 nan 8.290 nan 0.000 0.560 160 K N -0.506 119.892 120.400 -0.003 0.000 1.991 160 K HA -0.067 4.253 4.320 0.000 0.000 0.212 160 K C 2.519 179.116 176.600 -0.005 0.000 1.049 160 K CA 1.255 57.540 56.287 -0.004 0.000 0.932 160 K CB -0.340 32.158 32.500 -0.004 0.000 0.717 160 K HN 0.204 nan 8.250 nan 0.000 0.441 161 L N 1.144 122.363 121.223 -0.006 0.000 2.079 161 L HA -0.186 4.154 4.340 0.000 0.000 0.210 161 L C 2.121 178.985 176.870 -0.010 0.000 1.081 161 L CA 1.502 56.337 54.840 -0.009 0.000 0.752 161 L CB -0.330 41.723 42.059 -0.010 0.000 0.896 161 L HN 0.288 nan 8.230 nan 0.000 0.433 162 I N -1.295 119.270 120.570 -0.009 0.000 2.133 162 I HA -0.307 3.864 4.170 0.000 0.000 0.238 162 I C 2.623 178.736 176.117 -0.007 0.000 1.074 162 I CA 1.180 62.474 61.300 -0.010 0.000 1.342 162 I CB -0.650 37.346 38.000 -0.007 0.000 1.053 162 I HN 0.219 nan 8.210 nan 0.000 0.404 163 A N 0.271 123.089 122.820 -0.004 0.000 1.940 163 A HA -0.312 4.008 4.320 0.000 0.000 0.221 163 A C 2.245 179.826 177.584 -0.004 0.000 1.190 163 A CA 2.261 54.296 52.037 -0.003 0.000 0.647 163 A CB -0.760 18.239 19.000 -0.002 0.000 0.821 163 A HN 0.509 nan 8.150 nan 0.000 0.457 164 E N -0.907 119.290 120.200 -0.006 0.000 2.107 164 E HA -0.014 4.336 4.350 0.000 0.000 0.191 164 E C 2.379 178.974 176.600 -0.008 0.000 0.982 164 E CA 0.706 57.103 56.400 -0.006 0.000 0.809 164 E CB -0.213 29.483 29.700 -0.007 0.000 0.756 164 E HN 0.638 nan 8.360 nan 0.000 0.459 165 A N 1.371 124.185 122.820 -0.010 0.000 1.841 165 A HA -0.205 4.115 4.320 0.000 0.000 0.214 165 A C 2.202 179.780 177.584 -0.010 0.000 1.195 165 A CA 1.500 53.530 52.037 -0.012 0.000 0.611 165 A CB -0.543 18.448 19.000 -0.016 0.000 0.835 165 A HN 0.144 nan 8.150 nan 0.000 0.443 166 M N -0.774 118.821 119.600 -0.009 0.000 2.144 166 M HA -0.237 4.243 4.480 0.000 0.000 0.260 166 M C 1.780 178.077 176.300 -0.005 0.000 1.067 166 M CA 2.239 57.536 55.300 -0.006 0.000 1.095 166 M CB -1.042 31.555 32.600 -0.004 0.000 1.365 166 M HN 0.502 nan 8.290 nan 0.000 0.406 167 D N 0.401 120.798 120.400 -0.004 0.000 2.221 167 D HA -0.129 4.511 4.640 0.000 0.000 0.204 167 D C 1.881 178.178 176.300 -0.004 0.000 0.982 167 D CA 1.182 55.179 54.000 -0.004 0.000 0.857 167 D CB 0.260 41.058 40.800 -0.004 0.000 0.934 167 D HN 0.354 nan 8.370 nan 0.000 0.475 168 K N -1.034 119.362 120.400 -0.006 0.000 2.262 168 K HA 0.120 4.440 4.320 0.000 0.000 0.200 168 K C 1.382 177.979 176.600 -0.006 0.000 1.058 168 K CA 0.255 56.538 56.287 -0.006 0.000 0.974 168 K CB 0.690 33.185 32.500 -0.007 0.000 0.910 168 K HN -0.015 nan 8.250 nan 0.000 0.484 169 V N 0.375 120.285 119.914 -0.007 0.000 3.528 169 V HA 0.277 4.397 4.120 0.000 0.000 0.294 169 V C -0.086 176.005 176.094 -0.006 0.000 1.404 169 V CA 0.747 63.043 62.300 -0.007 0.000 1.065 169 V CB 0.302 32.120 31.823 -0.009 0.000 0.904 169 V HN 0.533 nan 8.190 nan 0.000 0.435 170 G N 0.750 109.547 108.800 -0.005 0.000 2.612 170 G HA2 -0.166 3.794 3.960 0.000 0.000 0.686 170 G HA3 -0.166 3.794 3.960 0.000 0.000 0.686 170 G C -0.039 174.859 174.900 -0.003 0.000 1.274 170 G CA -0.074 45.024 45.100 -0.003 0.000 0.849 170 G HN 0.305 nan 8.290 nan 0.000 0.595 171 K N -0.007 120.393 120.400 -0.000 0.000 2.442 171 K HA 0.033 4.353 4.320 0.000 0.000 0.198 171 K C 1.939 178.540 176.600 0.002 0.000 1.042 171 K CA 1.624 57.912 56.287 0.002 0.000 0.958 171 K CB 0.142 32.644 32.500 0.005 0.000 0.766 171 K HN 0.418 nan 8.250 nan 0.000 0.474 172 E N 0.783 120.984 120.200 0.001 0.000 2.038 172 E HA 0.047 4.397 4.350 0.000 0.000 0.190 172 E C 0.669 177.267 176.600 -0.003 0.000 0.967 172 E CA 0.586 56.987 56.400 0.002 0.000 0.816 172 E CB -0.499 29.203 29.700 0.003 0.000 0.784 172 E HN 0.289 nan 8.360 nan 0.000 0.456 173 G N 1.246 110.044 108.800 -0.004 0.000 2.764 173 G HA2 -0.153 3.807 3.960 0.000 0.000 0.264 173 G HA3 -0.153 3.807 3.960 0.000 0.000 0.264 173 G C -0.018 174.875 174.900 -0.013 0.000 0.517 173 G CA 0.076 45.172 45.100 -0.007 0.000 1.109 173 G HN 0.120 nan 8.290 nan 0.000 0.249 174 V N 4.480 124.385 119.914 -0.015 0.000 2.446 174 V HA 0.175 4.295 4.120 0.000 0.000 0.276 174 V C 0.856 176.932 176.094 -0.030 0.000 1.030 174 V CA 0.450 62.736 62.300 -0.025 0.000 1.033 174 V CB 0.287 32.095 31.823 -0.025 0.000 0.993 174 V HN 0.500 nan 8.190 nan 0.000 0.477 175 I N 5.546 126.092 120.570 -0.039 0.000 2.410 175 I HA 0.471 4.642 4.170 0.000 0.000 0.286 175 I C 0.373 176.456 176.117 -0.056 0.000 1.009 175 I CA -0.261 61.013 61.300 -0.043 0.000 1.111 175 I CB 1.829 39.806 38.000 -0.039 0.000 1.262 175 I HN 0.670 nan 8.210 nan 0.000 0.443 176 T N 2.537 117.060 114.554 -0.051 0.000 2.940 176 T HA 0.790 5.140 4.350 0.000 0.000 0.288 176 T C -0.398 174.274 174.700 -0.047 0.000 1.045 176 T CA -0.841 61.225 62.100 -0.056 0.000 1.018 176 T CB 2.292 71.129 68.868 -0.052 0.000 1.151 176 T HN 0.177 nan 8.240 nan 0.000 0.529 177 V N 0.900 120.786 119.914 -0.047 0.000 2.540 177 V HA 0.573 4.693 4.120 0.000 0.000 0.302 177 V C -0.288 175.787 176.094 -0.031 0.000 1.035 177 V CA -0.765 61.512 62.300 -0.038 0.000 0.873 177 V CB 1.410 33.209 31.823 -0.040 0.000 0.992 177 V HN 0.979 nan 8.190 nan 0.000 0.428 178 E N 1.444 121.629 120.200 -0.026 0.000 2.320 178 E HA 0.424 4.774 4.350 0.000 0.000 0.264 178 E C -1.351 175.238 176.600 -0.018 0.000 0.923 178 E CA -0.997 55.390 56.400 -0.022 0.000 0.796 178 E CB 1.739 31.426 29.700 -0.022 0.000 1.262 178 E HN 0.665 nan 8.360 nan 0.000 0.428 179 D N 0.634 121.025 120.400 -0.015 0.000 2.455 179 D HA 0.185 4.825 4.640 0.000 0.000 0.241 179 D C -0.102 176.190 176.300 -0.013 0.000 1.138 179 D CA 0.491 54.483 54.000 -0.013 0.000 0.877 179 D CB 0.870 41.664 40.800 -0.011 0.000 1.187 179 D HN 0.434 nan 8.370 nan 0.000 0.451 180 G N 0.061 108.854 108.800 -0.011 0.000 2.448 180 G HA2 0.379 4.339 3.960 0.000 0.000 0.285 180 G HA3 0.379 4.339 3.960 0.000 0.000 0.285 180 G C 0.888 175.782 174.900 -0.010 0.000 1.176 180 G CA -0.375 44.719 45.100 -0.011 0.000 0.852 180 G HN 0.483 nan 8.290 nan 0.000 0.530 181 T N -1.467 113.081 114.554 -0.010 0.000 3.001 181 T HA 0.394 4.744 4.350 0.000 0.000 0.251 181 T C 1.150 175.846 174.700 -0.008 0.000 1.040 181 T CA 0.673 62.768 62.100 -0.009 0.000 0.985 181 T CB 0.539 69.401 68.868 -0.010 0.000 1.011 181 T HN 0.752 nan 8.240 nan 0.000 0.509 182 G N 1.128 109.923 108.800 -0.008 0.000 3.122 182 G HA2 0.545 4.505 3.960 0.000 0.000 0.180 182 G HA3 0.545 4.505 3.960 0.000 0.000 0.180 182 G C 0.082 174.978 174.900 -0.006 0.000 1.279 182 G CA -0.329 44.767 45.100 -0.007 0.000 0.987 182 G HN 0.211 nan 8.290 nan 0.000 0.589 183 L N -0.856 120.363 121.223 -0.006 0.000 2.513 183 L HA 0.384 4.724 4.340 0.000 0.000 0.222 183 L C 0.622 177.488 176.870 -0.006 0.000 1.096 183 L CA 0.391 55.228 54.840 -0.006 0.000 0.857 183 L CB -0.201 41.855 42.059 -0.005 0.000 1.026 183 L HN 0.223 nan 8.230 nan 0.000 0.469 184 Q N 1.693 121.489 119.800 -0.006 0.000 2.261 184 Q HA 0.174 4.514 4.340 0.000 0.000 0.252 184 Q C -0.756 175.239 176.000 -0.007 0.000 0.915 184 Q CA -0.220 55.579 55.803 -0.007 0.000 0.915 184 Q CB 0.915 29.649 28.738 -0.006 0.000 1.204 184 Q HN 0.311 nan 8.270 nan 0.000 0.421 185 D N 2.131 122.526 120.400 -0.008 0.000 2.399 185 D HA 0.121 4.761 4.640 0.000 0.000 0.241 185 D C -0.254 176.041 176.300 -0.009 0.000 1.133 185 D CA 0.432 54.427 54.000 -0.009 0.000 0.890 185 D CB 0.933 41.728 40.800 -0.009 0.000 1.201 185 D HN 0.371 nan 8.370 nan 0.000 0.432 186 E N 0.304 120.498 120.200 -0.010 0.000 2.317 186 E HA 0.531 4.881 4.350 0.000 0.000 0.270 186 E C -0.833 175.760 176.600 -0.012 0.000 0.885 186 E CA -0.743 55.651 56.400 -0.011 0.000 0.760 186 E CB 2.647 32.340 29.700 -0.011 0.000 1.227 186 E HN 0.158 nan 8.360 nan 0.000 0.434 187 L N 2.650 123.866 121.223 -0.011 0.000 2.372 187 L HA 0.476 4.816 4.340 0.000 0.000 0.274 187 L C -1.592 175.271 176.870 -0.012 0.000 0.988 187 L CA -0.441 54.392 54.840 -0.013 0.000 0.833 187 L CB 0.999 43.051 42.059 -0.011 0.000 1.236 187 L HN 0.620 nan 8.230 nan 0.000 0.410 188 D N 4.472 124.864 120.400 -0.014 0.000 2.646 188 D HA 0.353 4.993 4.640 0.000 0.000 0.245 188 D C -0.475 175.817 176.300 -0.014 0.000 1.099 188 D CA -0.250 53.743 54.000 -0.013 0.000 0.849 188 D CB 3.221 44.013 40.800 -0.013 0.000 1.448 188 D HN 0.312 nan 8.370 nan 0.000 0.489 189 V N -0.299 119.608 119.914 -0.012 0.000 2.644 189 V HA 0.779 4.899 4.120 0.000 0.000 0.295 189 V C -0.006 176.081 176.094 -0.012 0.000 1.053 189 V CA -0.367 61.926 62.300 -0.012 0.000 0.987 189 V CB 1.592 33.409 31.823 -0.010 0.000 1.006 189 V HN 0.343 nan 8.190 nan 0.000 0.472 190 V N 1.774 121.681 119.914 -0.012 0.000 3.147 190 V HA 0.437 4.557 4.120 0.000 0.000 0.299 190 V C -0.689 175.399 176.094 -0.009 0.000 1.302 190 V CA -0.588 61.705 62.300 -0.012 0.000 1.015 190 V CB 2.306 34.120 31.823 -0.014 0.000 1.086 190 V HN 1.098 nan 8.190 nan 0.000 0.437 191 E N 2.529 122.724 120.200 -0.008 0.000 2.465 191 E HA 0.503 4.853 4.350 0.000 0.000 0.260 191 E C 0.366 176.965 176.600 -0.003 0.000 0.980 191 E CA 1.136 57.534 56.400 -0.004 0.000 0.927 191 E CB 0.978 30.676 29.700 -0.003 0.000 0.934 191 E HN 1.121 nan 8.360 nan 0.000 0.459 192 G N 1.080 109.883 108.800 0.004 0.000 2.393 192 G HA2 0.512 4.472 3.960 0.000 0.000 0.264 192 G HA3 0.512 4.472 3.960 0.000 0.000 0.264 192 G C -1.055 173.858 174.900 0.021 0.000 1.221 192 G CA -0.451 44.654 45.100 0.008 0.000 0.912 192 G HN 0.440 nan 8.290 nan 0.000 0.483 193 M N -0.212 119.401 119.600 0.023 0.000 3.019 193 M HA 0.366 4.846 4.480 0.000 0.000 0.256 193 M C -2.400 173.917 176.300 0.030 0.000 0.911 193 M CA -0.503 54.827 55.300 0.050 0.000 0.794 193 M CB 2.093 34.754 32.600 0.102 0.000 1.643 193 M HN 0.853 nan 8.290 nan 0.000 0.572 194 Q N 3.068 122.891 119.800 0.038 0.000 2.315 194 Q HA 0.761 5.101 4.340 0.000 0.000 0.273 194 Q C -2.192 173.843 176.000 0.058 0.000 1.053 194 Q CA -0.624 55.147 55.803 -0.053 0.000 0.817 194 Q CB 2.367 31.061 28.738 -0.074 0.000 1.326 194 Q HN 0.542 nan 8.270 nan 0.000 0.423 195 F N -0.123 119.823 119.950 -0.007 0.000 2.588 195 F HA 0.496 5.023 4.527 0.000 0.000 0.310 195 F C -0.608 175.191 175.800 -0.002 0.000 1.082 195 F CA -1.169 56.830 58.000 -0.003 0.000 0.929 195 F CB 1.234 40.233 39.000 -0.000 0.000 1.254 195 F HN 0.305 nan 8.300 nan 0.000 0.455 196 D N 3.599 124.140 120.400 0.235 0.000 2.662 196 D HA 0.170 4.810 4.640 0.000 0.000 0.228 196 D C -0.232 176.173 176.300 0.174 0.000 1.093 196 D CA 0.442 54.519 54.000 0.128 0.000 1.075 196 D CB -0.177 40.682 40.800 0.098 0.000 1.122 196 D HN 0.330 nan 8.370 nan 0.000 0.475 197 R N -0.007 120.594 120.500 0.168 0.000 2.651 197 R HA 0.641 4.981 4.340 0.000 0.000 0.278 197 R C 0.192 176.495 176.300 0.005 0.000 1.010 197 R CA -0.830 55.357 56.100 0.145 0.000 0.896 197 R CB 2.198 32.692 30.300 0.323 0.000 1.211 197 R HN 0.215 nan 8.270 nan 0.000 0.456 198 G N 0.902 109.676 108.800 -0.043 0.000 2.537 198 G HA2 0.470 4.430 3.960 0.000 0.000 0.323 198 G HA3 0.470 4.430 3.960 0.000 0.000 0.323 198 G C -0.629 174.222 174.900 -0.081 0.000 1.207 198 G CA -0.611 44.383 45.100 -0.177 0.000 0.976 198 G HN 0.453 nan 8.290 nan 0.000 0.487 199 Y N -0.839 119.496 120.300 0.058 0.000 2.861 199 Y HA 0.122 4.672 4.550 0.000 0.000 0.344 199 Y C 1.008 177.010 175.900 0.169 0.000 1.272 199 Y CA -0.648 57.522 58.100 0.117 0.000 1.502 199 Y CB 0.285 38.856 38.460 0.185 0.000 1.333 199 Y HN 0.215 nan 8.280 nan 0.000 0.634 200 L N 1.667 123.204 121.223 0.524 0.000 2.567 200 L HA 0.158 4.498 4.340 0.000 0.000 0.225 200 L C 0.604 177.705 176.870 0.384 0.000 1.119 200 L CA 0.830 55.912 54.840 0.404 0.000 0.871 200 L CB -0.022 42.243 42.059 0.343 0.000 1.036 200 L HN 0.810 nan 8.230 nan 0.000 0.459 201 S N -1.365 114.596 115.700 0.435 0.000 2.563 201 S HA 0.338 4.808 4.470 0.000 0.000 0.279 201 S C -2.408 172.003 174.600 -0.315 0.000 1.155 201 S CA -0.929 57.263 58.200 -0.015 0.000 0.928 201 S CB 1.731 64.754 63.200 -0.295 0.000 1.107 201 S HN -0.245 nan 8.310 nan 0.000 0.462 202 P HA -0.034 nan 4.420 nan 0.000 0.223 202 P C 0.477 177.429 177.300 -0.580 0.000 1.144 202 P CA 0.929 63.574 63.100 -0.757 0.000 0.783 202 P CB -0.152 31.231 31.700 -0.529 0.000 0.771 203 Y N -2.686 117.374 120.300 -0.401 0.000 2.616 203 Y HA 0.011 4.561 4.550 0.000 0.000 0.296 203 Y C 1.743 177.449 175.900 -0.322 0.000 1.154 203 Y CA 0.216 58.112 58.100 -0.341 0.000 1.325 203 Y CB -1.230 37.025 38.460 -0.343 0.000 1.007 203 Y HN -0.063 nan 8.280 nan 0.000 0.542 204 F N -0.269 119.630 119.950 -0.085 0.000 2.407 204 F HA -0.002 4.525 4.527 0.000 0.000 0.299 204 F C 1.111 176.856 175.800 -0.092 0.000 1.097 204 F CA -0.348 57.608 58.000 -0.072 0.000 1.422 204 F CB -0.749 38.209 39.000 -0.071 0.000 1.067 204 F HN -0.172 nan 8.300 nan 0.000 0.539 205 I N 2.517 123.078 120.570 -0.015 0.000 2.828 205 I HA -0.200 3.970 4.170 0.000 0.000 0.292 205 I C 0.902 177.033 176.117 0.023 0.000 1.206 205 I CA 0.354 61.639 61.300 -0.026 0.000 1.420 205 I CB 0.195 38.134 38.000 -0.102 0.000 1.368 205 I HN 0.193 nan 8.210 nan 0.000 0.556 206 N N 5.411 124.133 118.700 0.037 0.000 2.205 206 N HA 0.049 4.789 4.740 0.000 0.000 0.201 206 N C -0.241 175.282 175.510 0.021 0.000 1.128 206 N CA -0.077 52.992 53.050 0.031 0.000 0.867 206 N CB 0.403 38.912 38.487 0.037 0.000 0.996 206 N HN 0.459 nan 8.380 nan 0.000 0.503 207 K N 0.882 121.294 120.400 0.021 0.000 2.827 207 K HA 0.267 4.587 4.320 0.000 0.000 0.186 207 K C -2.184 174.427 176.600 0.019 0.000 1.093 207 K CA -1.523 54.774 56.287 0.018 0.000 0.993 207 K CB 2.061 34.572 32.500 0.018 0.000 1.199 207 K HN -0.082 nan 8.250 nan 0.000 0.598 208 P HA -0.180 nan 4.420 nan 0.000 0.224 208 P C 0.168 177.479 177.300 0.017 0.000 1.142 208 P CA 1.203 64.310 63.100 0.013 0.000 0.778 208 P CB 0.404 32.109 31.700 0.009 0.000 0.764 209 E N -1.023 119.188 120.200 0.018 0.000 2.299 209 E HA -0.025 4.325 4.350 0.000 0.000 0.193 209 E C 1.475 178.091 176.600 0.027 0.000 0.998 209 E CA 1.047 57.459 56.400 0.019 0.000 0.851 209 E CB -0.890 28.819 29.700 0.015 0.000 0.795 209 E HN 0.247 nan 8.360 nan 0.000 0.492 210 T N -0.687 113.886 114.554 0.032 0.000 3.060 210 T HA 0.206 4.556 4.350 0.000 0.000 0.249 210 T C 1.245 175.980 174.700 0.059 0.000 1.079 210 T CA 0.271 62.398 62.100 0.044 0.000 1.013 210 T CB 0.321 69.213 68.868 0.039 0.000 0.975 210 T HN 0.309 nan 8.240 nan 0.000 0.518 211 G N 1.846 110.678 108.800 0.054 0.000 2.395 211 G HA2 0.049 4.009 3.960 0.000 0.000 0.300 211 G HA3 0.049 4.009 3.960 0.000 0.000 0.300 211 G C 0.052 175.030 174.900 0.130 0.000 0.998 211 G CA 0.159 45.302 45.100 0.072 0.000 1.046 211 G HN 0.973 nan 8.290 nan 0.000 0.513 212 A N -1.273 121.606 122.820 0.100 0.000 2.587 212 A HA 0.857 5.177 4.320 0.000 0.000 0.293 212 A C -0.468 177.169 177.584 0.088 0.000 1.087 212 A CA -0.290 51.827 52.037 0.133 0.000 0.692 212 A CB 1.893 20.950 19.000 0.095 0.000 1.291 212 A HN 1.250 nan 8.150 nan 0.000 0.407 213 V N 1.022 121.001 119.914 0.107 0.000 2.427 213 V HA 0.524 4.644 4.120 0.000 0.000 0.286 213 V C -0.006 176.111 176.094 0.039 0.000 1.034 213 V CA -0.232 62.111 62.300 0.072 0.000 0.893 213 V CB 1.318 33.196 31.823 0.090 0.000 0.982 213 V HN 0.880 nan 8.190 nan 0.000 0.452 214 E N 4.515 124.729 120.200 0.024 0.000 2.325 214 E HA 0.510 4.860 4.350 0.000 0.000 0.248 214 E C -1.514 175.087 176.600 0.002 0.000 0.912 214 E CA -0.412 55.992 56.400 0.006 0.000 0.782 214 E CB 1.367 31.070 29.700 0.005 0.000 1.264 214 E HN 0.592 nan 8.360 nan 0.000 0.417 215 L N 2.963 124.181 121.223 -0.008 0.000 2.317 215 L HA 0.454 4.794 4.340 0.000 0.000 0.281 215 L C 0.066 176.924 176.870 -0.021 0.000 1.024 215 L CA -0.678 54.157 54.840 -0.009 0.000 0.810 215 L CB 1.561 43.613 42.059 -0.012 0.000 1.240 215 L HN 0.345 nan 8.230 nan 0.000 0.427 216 E N 1.816 122.004 120.200 -0.021 0.000 2.129 216 E HA 0.224 4.574 4.350 0.000 0.000 0.268 216 E C -0.188 176.380 176.600 -0.054 0.000 0.900 216 E CA -0.366 56.014 56.400 -0.033 0.000 0.755 216 E CB 1.580 31.265 29.700 -0.024 0.000 1.117 216 E HN 0.648 nan 8.360 nan 0.000 0.410 217 S N 1.838 117.492 115.700 -0.078 0.000 3.698 217 S HA -0.104 4.366 4.470 0.000 0.000 0.338 217 S C -2.242 172.238 174.600 -0.200 0.000 1.089 217 S CA 0.122 58.243 58.200 -0.132 0.000 0.991 217 S CB -0.942 62.181 63.200 -0.129 0.000 0.909 217 S HN 0.467 nan 8.310 nan 0.000 0.485 218 P HA 0.371 nan 4.420 nan 0.000 0.275 218 P C 0.212 177.418 177.300 -0.157 0.000 1.228 218 P CA -0.419 62.623 63.100 -0.097 0.000 0.786 218 P CB 0.327 32.015 31.700 -0.020 0.000 0.927 219 F N 1.316 121.266 119.950 -0.001 0.000 2.450 219 F HA 0.267 4.794 4.527 0.000 0.000 0.339 219 F C 1.115 176.915 175.800 0.001 0.000 1.146 219 F CA 0.234 58.234 58.000 0.001 0.000 1.267 219 F CB 0.175 39.175 39.000 0.001 0.000 1.178 219 F HN 0.082 nan 8.300 nan 0.000 0.585 220 I N 3.784 124.472 120.570 0.197 0.000 2.439 220 I HA 0.198 4.368 4.170 0.000 0.000 0.283 220 I C -1.096 175.079 176.117 0.097 0.000 1.023 220 I CA -0.807 60.562 61.300 0.114 0.000 1.100 220 I CB 1.541 39.588 38.000 0.080 0.000 1.238 220 I HN 0.274 nan 8.210 nan 0.000 0.445 221 L N 8.029 129.295 121.223 0.072 0.000 2.313 221 L HA 0.345 4.685 4.340 0.000 0.000 0.282 221 L C -0.490 176.402 176.870 0.035 0.000 1.092 221 L CA 0.320 55.187 54.840 0.045 0.000 0.831 221 L CB 0.473 42.550 42.059 0.030 0.000 1.159 221 L HN 0.529 nan 8.230 nan 0.000 0.442 222 L N 6.692 127.931 121.223 0.026 0.000 2.843 222 L HA 0.494 4.834 4.340 0.000 0.000 0.234 222 L C 0.276 177.148 176.870 0.003 0.000 1.264 222 L CA -0.298 54.550 54.840 0.012 0.000 1.052 222 L CB 0.370 42.435 42.059 0.009 0.000 1.372 222 L HN 0.792 nan 8.230 nan 0.000 0.466 223 A N -0.004 122.819 122.820 0.006 0.000 2.320 223 A HA 0.277 4.597 4.320 0.000 0.000 0.287 223 A C -0.116 177.467 177.584 -0.001 0.000 1.181 223 A CA -0.317 51.722 52.037 0.004 0.000 0.831 223 A CB 0.375 19.381 19.000 0.010 0.000 1.102 223 A HN 0.459 nan 8.150 nan 0.000 0.513 224 D N 1.977 122.375 120.400 -0.003 0.000 2.564 224 D HA 0.420 5.060 4.640 0.000 0.000 0.226 224 D C -0.128 176.174 176.300 0.002 0.000 1.149 224 D CA -0.027 53.969 54.000 -0.005 0.000 0.994 224 D CB -0.499 40.295 40.800 -0.011 0.000 1.029 224 D HN 0.660 nan 8.370 nan 0.000 0.517 225 K N -0.297 120.108 120.400 0.008 0.000 2.809 225 K HA 0.274 4.594 4.320 0.000 0.000 0.293 225 K C -1.401 175.210 176.600 0.019 0.000 1.061 225 K CA -1.130 55.165 56.287 0.013 0.000 0.837 225 K CB 0.612 33.119 32.500 0.011 0.000 1.524 225 K HN -0.149 nan 8.250 nan 0.000 0.370 226 K N 1.505 121.918 120.400 0.022 0.000 2.258 226 K HA 0.351 4.671 4.320 0.000 0.000 0.284 226 K C -0.544 176.073 176.600 0.027 0.000 1.051 226 K CA -0.418 55.885 56.287 0.027 0.000 0.923 226 K CB 0.650 33.166 32.500 0.027 0.000 1.046 226 K HN 0.372 nan 8.250 nan 0.000 0.474 227 I N 2.710 123.300 120.570 0.033 0.000 2.297 227 I HA 0.014 4.184 4.170 0.000 0.000 0.291 227 I C 0.729 176.869 176.117 0.039 0.000 1.033 227 I CA 0.116 61.437 61.300 0.034 0.000 1.253 227 I CB 1.381 39.404 38.000 0.037 0.000 1.396 227 I HN 0.677 nan 8.210 nan 0.000 0.476 228 S N 4.025 119.744 115.700 0.032 0.000 2.591 228 S HA 0.193 4.663 4.470 0.000 0.000 0.235 228 S C 0.612 175.230 174.600 0.030 0.000 1.074 228 S CA -0.016 58.203 58.200 0.031 0.000 0.925 228 S CB 0.288 63.503 63.200 0.025 0.000 0.818 228 S HN 0.609 nan 8.310 nan 0.000 0.535 229 N N 1.453 120.168 118.700 0.025 0.000 2.430 229 N HA 0.334 5.074 4.740 0.000 0.000 0.292 229 N C 0.034 175.558 175.510 0.024 0.000 1.051 229 N CA -0.269 52.794 53.050 0.022 0.000 0.917 229 N CB 1.905 40.402 38.487 0.016 0.000 1.164 229 N HN 0.065 nan 8.380 nan 0.000 0.484 230 I N 1.750 122.335 120.570 0.024 0.000 3.111 230 I HA -0.093 4.077 4.170 0.000 0.000 0.272 230 I C 2.014 178.140 176.117 0.016 0.000 1.268 230 I CA 0.570 61.884 61.300 0.024 0.000 1.467 230 I CB 0.107 38.122 38.000 0.026 0.000 1.087 230 I HN 0.455 nan 8.210 nan 0.000 0.467 231 R N 0.842 121.350 120.500 0.013 0.000 2.083 231 R HA -0.216 4.124 4.340 0.000 0.000 0.237 231 R C 1.892 178.196 176.300 0.007 0.000 1.137 231 R CA 1.950 58.056 56.100 0.008 0.000 0.951 231 R CB -0.168 30.136 30.300 0.007 0.000 0.851 231 R HN 0.466 nan 8.270 nan 0.000 0.434 232 E N -0.254 119.951 120.200 0.009 0.000 2.209 232 E HA -0.201 4.149 4.350 0.000 0.000 0.196 232 E C 1.851 178.453 176.600 0.005 0.000 0.993 232 E CA 0.956 57.360 56.400 0.007 0.000 0.819 232 E CB -0.004 29.702 29.700 0.010 0.000 0.745 232 E HN 0.272 nan 8.360 nan 0.000 0.477 233 M N 0.082 119.687 119.600 0.008 0.000 2.248 233 M HA -0.010 4.470 4.480 0.000 0.000 0.265 233 M C 2.291 178.590 176.300 -0.001 0.000 1.079 233 M CA 0.998 56.303 55.300 0.007 0.000 1.150 233 M CB -0.598 32.012 32.600 0.016 0.000 1.366 233 M HN 0.158 nan 8.290 nan 0.000 0.433 234 L N 0.581 121.804 121.223 0.000 0.000 2.189 234 L HA -0.191 4.149 4.340 0.000 0.000 0.214 234 L C -0.368 176.495 176.870 -0.012 0.000 1.097 234 L CA 1.282 56.120 54.840 -0.004 0.000 0.764 234 L CB -2.023 40.036 42.059 -0.001 0.000 0.900 234 L HN 0.201 nan 8.230 nan 0.000 0.436 235 P HA -0.089 nan 4.420 nan 0.000 0.217 235 P C 1.810 179.087 177.300 -0.038 0.000 1.151 235 P CA 1.182 64.267 63.100 -0.025 0.000 0.828 235 P CB 0.169 31.856 31.700 -0.022 0.000 0.788 236 V N 0.178 120.069 119.914 -0.038 0.000 2.488 236 V HA -0.109 4.011 4.120 0.000 0.000 0.246 236 V C 2.732 178.789 176.094 -0.061 0.000 1.046 236 V CA 1.115 63.380 62.300 -0.059 0.000 1.053 236 V CB -1.072 30.724 31.823 -0.046 0.000 0.679 236 V HN -0.008 nan 8.190 nan 0.000 0.458 237 L N -0.306 120.898 121.223 -0.032 0.000 2.275 237 L HA -0.137 4.203 4.340 0.000 0.000 0.215 237 L C 2.446 179.301 176.870 -0.025 0.000 1.119 237 L CA 1.328 56.157 54.840 -0.019 0.000 0.790 237 L CB -0.247 41.812 42.059 0.001 0.000 0.919 237 L HN 0.418 nan 8.230 nan 0.000 0.443 238 E N -0.446 119.734 120.200 -0.033 0.000 2.122 238 E HA -0.092 4.258 4.350 0.000 0.000 0.190 238 E C 2.255 178.826 176.600 -0.048 0.000 0.977 238 E CA 0.787 57.168 56.400 -0.031 0.000 0.820 238 E CB 0.083 29.767 29.700 -0.026 0.000 0.770 238 E HN 0.457 nan 8.360 nan 0.000 0.462 239 A N 0.487 123.260 122.820 -0.077 0.000 1.929 239 A HA -0.092 4.228 4.320 0.000 0.000 0.216 239 A C 2.332 179.823 177.584 -0.154 0.000 1.176 239 A CA 0.800 52.768 52.037 -0.115 0.000 0.628 239 A CB -0.402 18.508 19.000 -0.150 0.000 0.816 239 A HN 0.127 nan 8.150 nan 0.000 0.444 240 V N -0.176 119.642 119.914 -0.159 0.000 2.358 240 V HA -0.202 3.918 4.120 0.000 0.000 0.246 240 V C 3.028 179.112 176.094 -0.016 0.000 1.047 240 V CA 1.824 64.045 62.300 -0.131 0.000 1.035 240 V CB -0.990 30.784 31.823 -0.081 0.000 0.658 240 V HN 0.589 nan 8.190 nan 0.000 0.452 241 A N -0.837 121.976 122.820 -0.011 0.000 2.019 241 A HA -0.213 4.107 4.320 0.000 0.000 0.219 241 A C 2.277 179.868 177.584 0.011 0.000 1.164 241 A CA 1.716 53.759 52.037 0.010 0.000 0.644 241 A CB -0.353 18.651 19.000 0.005 0.000 0.805 241 A HN 0.529 nan 8.150 nan 0.000 0.449 242 K N -0.737 119.661 120.400 -0.004 0.000 2.186 242 K HA 0.128 4.448 4.320 0.000 0.000 0.202 242 K C 1.856 178.468 176.600 0.021 0.000 1.052 242 K CA 0.764 57.052 56.287 0.002 0.000 0.965 242 K CB -0.101 32.391 32.500 -0.014 0.000 0.746 242 K HN 0.400 nan 8.250 nan 0.000 0.457 243 A N 0.803 123.643 122.820 0.033 0.000 2.235 243 A HA 0.125 4.446 4.320 0.000 0.000 0.208 243 A C 1.149 178.809 177.584 0.126 0.000 1.172 243 A CA 0.697 52.795 52.037 0.102 0.000 0.786 243 A CB -0.588 18.521 19.000 0.182 0.000 0.804 243 A HN 0.381 nan 8.150 nan 0.000 0.479 244 G N -0.100 108.751 108.800 0.085 0.000 2.390 244 G HA2 -0.280 3.680 3.960 0.000 0.000 0.299 244 G HA3 -0.280 3.680 3.960 0.000 0.000 0.299 244 G C 0.047 175.002 174.900 0.092 0.000 1.002 244 G CA 1.050 46.193 45.100 0.072 0.000 0.979 244 G HN 0.615 nan 8.290 nan 0.000 0.513 245 K N 0.023 120.509 120.400 0.145 0.000 2.435 245 K HA 0.543 4.863 4.320 0.000 0.000 0.251 245 K C -2.313 174.378 176.600 0.152 0.000 0.954 245 K CA -2.051 54.326 56.287 0.149 0.000 0.820 245 K CB 2.856 35.482 32.500 0.209 0.000 1.292 245 K HN 0.037 nan 8.250 nan 0.000 0.436 246 P HA 0.217 nan 4.420 nan 0.000 0.277 246 P C -1.212 176.164 177.300 0.126 0.000 1.276 246 P CA -0.559 62.592 63.100 0.086 0.000 0.788 246 P CB 0.607 32.332 31.700 0.042 0.000 1.114 247 L N -0.029 121.245 121.223 0.085 0.000 2.493 247 L HA 0.539 4.879 4.340 0.000 0.000 0.265 247 L C -1.749 175.138 176.870 0.028 0.000 0.954 247 L CA -0.857 54.039 54.840 0.093 0.000 0.844 247 L CB 1.721 43.834 42.059 0.090 0.000 1.302 247 L HN 0.135 nan 8.230 nan 0.000 0.405 248 L N 5.791 127.034 121.223 0.033 0.000 2.272 248 L HA 0.628 4.968 4.340 0.000 0.000 0.289 248 L C -0.921 175.957 176.870 0.014 0.000 1.032 248 L CA -0.252 54.586 54.840 -0.004 0.000 0.810 248 L CB 1.124 43.189 42.059 0.010 0.000 1.205 248 L HN 0.483 nan 8.230 nan 0.000 0.422 249 I N 6.862 127.424 120.570 -0.014 0.000 2.315 249 I HA 0.269 4.439 4.170 0.000 0.000 0.291 249 I C -0.063 176.073 176.117 0.030 0.000 1.006 249 I CA -0.151 61.155 61.300 0.010 0.000 1.265 249 I CB 1.037 39.039 38.000 0.003 0.000 1.387 249 I HN 0.557 nan 8.210 nan 0.000 0.475 250 I N 5.890 126.487 120.570 0.045 0.000 2.621 250 I HA 0.430 4.600 4.170 0.000 0.000 0.276 250 I C 0.433 176.561 176.117 0.019 0.000 1.118 250 I CA -0.142 61.190 61.300 0.054 0.000 1.159 250 I CB 0.959 39.001 38.000 0.070 0.000 1.357 250 I HN 0.667 nan 8.210 nan 0.000 0.513 251 A N 3.343 126.178 122.820 0.025 0.000 2.373 251 A HA 0.434 4.754 4.320 0.000 0.000 0.291 251 A C 1.191 178.784 177.584 0.016 0.000 1.171 251 A CA -0.438 51.609 52.037 0.015 0.000 0.922 251 A CB 0.988 20.002 19.000 0.023 0.000 1.400 251 A HN 0.644 nan 8.150 nan 0.000 0.474 252 E N -0.848 119.361 120.200 0.015 0.000 2.097 252 E HA -0.180 4.170 4.350 0.000 0.000 0.196 252 E C -0.149 176.473 176.600 0.037 0.000 1.000 252 E CA 1.853 58.266 56.400 0.023 0.000 0.804 252 E CB 0.124 29.839 29.700 0.024 0.000 0.740 252 E HN 0.609 nan 8.360 nan 0.000 0.454 253 D N -2.176 118.249 120.400 0.042 0.000 2.710 253 D HA 0.241 4.881 4.640 0.000 0.000 0.276 253 D C -1.911 174.424 176.300 0.058 0.000 1.267 253 D CA -0.525 53.508 54.000 0.054 0.000 0.772 253 D CB 2.009 42.840 40.800 0.051 0.000 1.299 253 D HN -0.105 nan 8.370 nan 0.000 0.421 254 V N 1.617 121.575 119.914 0.075 0.000 2.569 254 V HA 0.446 4.566 4.120 0.000 0.000 0.301 254 V C -0.386 175.760 176.094 0.086 0.000 1.044 254 V CA -0.634 61.715 62.300 0.082 0.000 0.874 254 V CB 1.796 33.681 31.823 0.103 0.000 1.002 254 V HN 0.415 nan 8.190 nan 0.000 0.424 255 E N 2.204 122.444 120.200 0.068 0.000 2.207 255 E HA 0.593 4.943 4.350 0.000 0.000 0.270 255 E C 1.072 177.704 176.600 0.054 0.000 0.927 255 E CA 0.118 56.552 56.400 0.058 0.000 0.799 255 E CB 2.197 31.924 29.700 0.044 0.000 1.172 255 E HN 0.820 nan 8.360 nan 0.000 0.404 256 G N 2.907 111.736 108.800 0.048 0.000 2.928 256 G HA2 -0.487 3.473 3.960 0.000 0.000 0.329 256 G HA3 -0.487 3.473 3.960 0.000 0.000 0.329 256 G C 1.207 176.130 174.900 0.039 0.000 1.006 256 G CA 1.275 46.398 45.100 0.039 0.000 0.883 256 G HN 0.707 nan 8.290 nan 0.000 0.946 257 E N 1.032 121.251 120.200 0.032 0.000 2.028 257 E HA -0.261 4.089 4.350 0.000 0.000 0.217 257 E C 3.013 179.635 176.600 0.037 0.000 1.039 257 E CA 2.477 58.894 56.400 0.028 0.000 0.882 257 E CB -0.861 28.853 29.700 0.024 0.000 0.794 257 E HN 0.800 nan 8.360 nan 0.000 0.488 258 A N 0.785 123.632 122.820 0.044 0.000 2.024 258 A HA -0.187 4.133 4.320 0.000 0.000 0.220 258 A C 2.222 179.854 177.584 0.081 0.000 1.164 258 A CA 1.588 53.658 52.037 0.056 0.000 0.643 258 A CB -0.599 18.434 19.000 0.054 0.000 0.806 258 A HN 0.367 nan 8.150 nan 0.000 0.451 259 L N -0.232 121.044 121.223 0.088 0.000 1.973 259 L HA -0.005 4.335 4.340 0.000 0.000 0.208 259 L C 2.682 179.599 176.870 0.079 0.000 1.073 259 L CA 2.366 57.278 54.840 0.120 0.000 0.746 259 L CB -0.965 41.163 42.059 0.115 0.000 0.891 259 L HN 0.300 nan 8.230 nan 0.000 0.433 260 A N -1.760 121.085 122.820 0.043 0.000 2.131 260 A HA -0.192 4.128 4.320 0.000 0.000 0.220 260 A C 2.122 179.707 177.584 0.001 0.000 1.158 260 A CA 2.161 54.204 52.037 0.010 0.000 0.665 260 A CB -1.145 17.860 19.000 0.009 0.000 0.795 260 A HN 0.620 nan 8.150 nan 0.000 0.460 261 T N 0.172 114.741 114.554 0.026 0.000 2.698 261 T HA -0.017 4.333 4.350 0.000 0.000 0.260 261 T C 1.801 176.526 174.700 0.041 0.000 1.044 261 T CA 1.272 63.387 62.100 0.025 0.000 1.149 261 T CB -0.378 68.510 68.868 0.034 0.000 0.864 261 T HN 0.360 nan 8.240 nan 0.000 0.419 262 L N 1.130 122.408 121.223 0.092 0.000 2.127 262 L HA -0.105 4.235 4.340 0.000 0.000 0.211 262 L C 2.629 179.585 176.870 0.143 0.000 1.089 262 L CA 0.665 55.601 54.840 0.159 0.000 0.757 262 L CB -0.722 41.495 42.059 0.263 0.000 0.899 262 L HN 0.143 nan 8.230 nan 0.000 0.434 263 V N -0.662 119.257 119.914 0.008 0.000 2.233 263 V HA -0.264 3.856 4.120 0.000 0.000 0.247 263 V C 2.243 178.259 176.094 -0.130 0.000 1.050 263 V CA 1.800 63.990 62.300 -0.184 0.000 1.010 263 V CB -0.369 31.334 31.823 -0.200 0.000 0.637 263 V HN 0.232 nan 8.190 nan 0.000 0.444 264 V N 0.200 120.055 119.914 -0.098 0.000 3.141 264 V HA -0.143 3.977 4.120 0.000 0.000 0.265 264 V C 1.904 177.968 176.094 -0.051 0.000 1.126 264 V CA 1.587 63.828 62.300 -0.100 0.000 1.141 264 V CB -1.218 30.551 31.823 -0.089 0.000 0.743 264 V HN 0.593 nan 8.190 nan 0.000 0.492 265 N N 0.370 119.065 118.700 -0.010 0.000 2.376 265 N HA -0.099 4.641 4.740 0.000 0.000 0.177 265 N C 1.888 177.416 175.510 0.030 0.000 1.024 265 N CA 1.377 54.438 53.050 0.017 0.000 0.893 265 N CB 0.250 38.764 38.487 0.045 0.000 0.980 265 N HN 0.652 nan 8.380 nan 0.000 0.439 266 T N -2.318 112.261 114.554 0.042 0.000 3.022 266 T HA 0.128 4.478 4.350 0.000 0.000 0.250 266 T C 1.653 176.355 174.700 0.003 0.000 1.060 266 T CA -0.124 62.010 62.100 0.057 0.000 1.013 266 T CB 0.152 69.112 68.868 0.153 0.000 0.982 266 T HN -0.087 nan 8.240 nan 0.000 0.508 267 M N 2.245 121.814 119.600 -0.052 0.000 2.067 267 M HA 0.132 4.612 4.480 0.000 0.000 0.260 267 M C 2.101 178.361 176.300 -0.067 0.000 1.069 267 M CA 1.701 56.943 55.300 -0.097 0.000 1.117 267 M CB -0.180 32.318 32.600 -0.170 0.000 1.334 267 M HN 0.183 nan 8.290 nan 0.000 0.407 268 R N -0.537 119.932 120.500 -0.052 0.000 2.310 268 R HA 0.362 4.702 4.340 0.000 0.000 0.202 268 R C 0.863 177.151 176.300 -0.020 0.000 0.933 268 R CA 0.545 56.622 56.100 -0.038 0.000 1.054 268 R CB -0.410 29.868 30.300 -0.037 0.000 0.985 268 R HN 0.553 nan 8.270 nan 0.000 0.489 269 G N 1.727 110.522 108.800 -0.009 0.000 2.295 269 G HA2 -0.257 3.703 3.960 0.000 0.000 0.287 269 G HA3 -0.257 3.703 3.960 0.000 0.000 0.287 269 G C 0.536 175.442 174.900 0.009 0.000 1.055 269 G CA 0.264 45.368 45.100 0.006 0.000 0.922 269 G HN 0.362 nan 8.290 nan 0.000 0.503 270 I N -1.288 119.288 120.570 0.011 0.000 2.235 270 I HA 0.056 4.226 4.170 0.000 0.000 0.241 270 I C 0.927 177.057 176.117 0.021 0.000 1.085 270 I CA 1.178 62.485 61.300 0.012 0.000 1.378 270 I CB -0.036 37.968 38.000 0.008 0.000 1.076 270 I HN 0.134 nan 8.210 nan 0.000 0.415 271 V N 0.768 120.701 119.914 0.032 0.000 2.525 271 V HA 0.316 4.436 4.120 0.000 0.000 0.299 271 V C -0.637 175.492 176.094 0.059 0.000 1.034 271 V CA -1.172 61.153 62.300 0.042 0.000 0.863 271 V CB 1.369 33.216 31.823 0.041 0.000 0.999 271 V HN 0.054 nan 8.190 nan 0.000 0.423 272 K N 2.883 123.319 120.400 0.059 0.000 2.379 272 K HA 0.610 4.930 4.320 0.000 0.000 0.284 272 K C -0.584 176.059 176.600 0.073 0.000 1.044 272 K CA 0.230 56.560 56.287 0.073 0.000 0.974 272 K CB 1.027 33.562 32.500 0.057 0.000 0.962 272 K HN 0.581 nan 8.250 nan 0.000 0.474 273 V N 1.201 121.173 119.914 0.097 0.000 3.087 273 V HA 0.830 4.950 4.120 0.000 0.000 0.306 273 V C -1.238 174.793 176.094 -0.104 0.000 1.187 273 V CA -1.061 61.261 62.300 0.037 0.000 0.999 273 V CB 2.216 34.086 31.823 0.079 0.000 1.049 273 V HN 0.789 nan 8.190 nan 0.000 0.431 274 A N 1.944 124.549 122.820 -0.360 0.000 2.547 274 A HA 1.003 5.323 4.320 0.000 0.000 0.297 274 A C -0.834 176.371 177.584 -0.632 0.000 1.056 274 A CA -0.048 51.417 52.037 -0.953 0.000 0.688 274 A CB 1.895 20.558 19.000 -0.563 0.000 1.282 274 A HN 1.831 nan 8.150 nan 0.000 0.400 275 A N 0.939 123.303 122.820 -0.760 0.000 2.386 275 A HA 0.871 5.191 4.320 0.000 0.000 0.311 275 A C -0.465 177.077 177.584 -0.071 0.000 1.068 275 A CA -0.152 51.747 52.037 -0.230 0.000 0.743 275 A CB 1.379 20.340 19.000 -0.065 0.000 1.258 275 A HN 2.264 nan 8.150 nan 0.000 0.429 276 V N -0.570 119.361 119.914 0.028 0.000 2.925 276 V HA 0.588 4.708 4.120 0.000 0.000 0.311 276 V C -0.353 175.816 176.094 0.124 0.000 1.104 276 V CA -1.268 61.094 62.300 0.103 0.000 0.954 276 V CB 1.353 33.255 31.823 0.132 0.000 1.022 276 V HN 0.892 nan 8.190 nan 0.000 0.427 277 K N 1.887 122.360 120.400 0.122 0.000 2.397 277 K HA 0.545 4.866 4.320 0.000 0.000 0.265 277 K C 0.529 177.180 176.600 0.085 0.000 0.982 277 K CA 0.479 56.822 56.287 0.094 0.000 0.931 277 K CB 0.739 33.290 32.500 0.086 0.000 0.943 277 K HN 1.112 nan 8.250 nan 0.000 0.501 278 A N 3.306 126.129 122.820 0.006 0.000 2.332 278 A HA 0.313 4.633 4.320 0.000 0.000 0.258 278 A C -2.148 175.349 177.584 -0.145 0.000 1.087 278 A CA -1.318 50.645 52.037 -0.124 0.000 0.802 278 A CB -0.162 18.772 19.000 -0.111 0.000 1.042 278 A HN 0.475 nan 8.150 nan 0.000 0.489 279 P HA 0.394 nan 4.420 nan 0.000 0.275 279 P C 0.552 177.803 177.300 -0.082 0.000 1.227 279 P CA 1.412 64.379 63.100 -0.222 0.000 0.781 279 P CB 0.593 32.031 31.700 -0.437 0.000 0.906 280 G N 2.273 111.097 108.800 0.039 0.000 2.877 280 G HA2 -0.062 3.898 3.960 0.000 0.000 0.279 280 G HA3 -0.062 3.898 3.960 0.000 0.000 0.279 280 G C -0.881 174.119 174.900 0.166 0.000 1.431 280 G CA -0.197 44.956 45.100 0.089 0.000 0.883 280 G HN 0.692 nan 8.290 nan 0.000 0.547 281 F N -1.250 118.701 119.950 0.002 0.000 2.588 281 F HA 0.821 5.348 4.527 0.000 0.000 0.310 281 F C 1.002 176.807 175.800 0.009 0.000 1.082 281 F CA 0.066 58.069 58.000 0.005 0.000 0.929 281 F CB 1.325 40.334 39.000 0.014 0.000 1.254 281 F HN 2.379 nan 8.300 nan 0.000 0.455 282 G N 2.283 111.142 108.800 0.098 0.000 2.543 282 G HA2 -0.337 3.623 3.960 0.000 0.000 0.286 282 G HA3 -0.337 3.623 3.960 0.000 0.000 0.286 282 G C 0.369 175.238 174.900 -0.051 0.000 1.153 282 G CA 0.678 45.794 45.100 0.028 0.000 0.968 282 G HN 0.735 nan 8.290 nan 0.000 0.544 283 D N 1.269 121.618 120.400 -0.086 0.000 2.084 283 D HA -0.027 4.613 4.640 0.000 0.000 0.196 283 D C 2.541 178.783 176.300 -0.097 0.000 0.985 283 D CA 1.691 55.647 54.000 -0.073 0.000 0.826 283 D CB -0.337 40.428 40.800 -0.059 0.000 0.978 283 D HN 0.681 nan 8.370 nan 0.000 0.456 284 R N 0.786 121.194 120.500 -0.153 0.000 2.339 284 R HA 0.118 4.458 4.340 0.000 0.000 0.199 284 R C 2.011 178.231 176.300 -0.134 0.000 1.018 284 R CA 0.273 56.286 56.100 -0.145 0.000 1.036 284 R CB -0.223 29.976 30.300 -0.168 0.000 0.899 284 R HN 0.107 nan 8.270 nan 0.000 0.473 285 R N 2.292 122.719 120.500 -0.122 0.000 2.066 285 R HA -0.085 4.255 4.340 0.000 0.000 0.232 285 R C 1.290 177.542 176.300 -0.080 0.000 1.131 285 R CA 1.516 57.563 56.100 -0.089 0.000 0.955 285 R CB 0.020 30.293 30.300 -0.045 0.000 0.851 285 R HN 0.169 nan 8.270 nan 0.000 0.432 286 K N 0.278 120.640 120.400 -0.062 0.000 2.057 286 K HA -0.045 4.275 4.320 0.000 0.000 0.206 286 K C 2.175 178.742 176.600 -0.054 0.000 1.050 286 K CA 1.343 57.600 56.287 -0.050 0.000 0.935 286 K CB -0.173 32.306 32.500 -0.035 0.000 0.715 286 K HN 0.249 nan 8.250 nan 0.000 0.439 287 A N 1.450 124.235 122.820 -0.059 0.000 1.883 287 A HA -0.204 4.116 4.320 0.000 0.000 0.217 287 A C 2.168 179.712 177.584 -0.066 0.000 1.186 287 A CA 1.698 53.700 52.037 -0.057 0.000 0.624 287 A CB -0.492 18.473 19.000 -0.060 0.000 0.822 287 A HN 0.187 nan 8.150 nan 0.000 0.444 288 M N -1.138 118.410 119.600 -0.086 0.000 2.175 288 M HA -0.033 4.447 4.480 0.000 0.000 0.264 288 M C 2.266 178.490 176.300 -0.126 0.000 1.063 288 M CA 1.106 56.342 55.300 -0.106 0.000 1.119 288 M CB -0.372 32.150 32.600 -0.130 0.000 1.377 288 M HN 0.492 nan 8.290 nan 0.000 0.415 289 L N -0.014 121.137 121.223 -0.120 0.000 2.056 289 L HA -0.238 4.102 4.340 0.000 0.000 0.207 289 L C 2.578 179.405 176.870 -0.071 0.000 1.078 289 L CA 1.314 56.086 54.840 -0.114 0.000 0.749 289 L CB -0.292 41.712 42.059 -0.092 0.000 0.901 289 L HN 0.275 nan 8.230 nan 0.000 0.433 290 Q N 0.310 120.077 119.800 -0.055 0.000 2.181 290 Q HA -0.252 4.088 4.340 0.000 0.000 0.205 290 Q C 1.583 177.564 176.000 -0.031 0.000 0.980 290 Q CA 1.965 57.746 55.803 -0.036 0.000 0.862 290 Q CB -0.254 28.465 28.738 -0.032 0.000 0.905 290 Q HN 0.456 nan 8.270 nan 0.000 0.429 291 D N -0.612 119.764 120.400 -0.040 0.000 2.117 291 D HA -0.105 4.535 4.640 0.000 0.000 0.197 291 D C 1.746 178.037 176.300 -0.015 0.000 0.987 291 D CA 1.173 55.156 54.000 -0.028 0.000 0.829 291 D CB -0.118 40.661 40.800 -0.034 0.000 0.961 291 D HN 0.382 nan 8.370 nan 0.000 0.460 292 I N 0.681 121.237 120.570 -0.023 0.000 2.439 292 I HA -0.168 4.002 4.170 0.000 0.000 0.251 292 I C 2.380 178.504 176.117 0.012 0.000 1.139 292 I CA 0.558 61.862 61.300 0.006 0.000 1.438 292 I CB -0.292 37.706 38.000 -0.003 0.000 1.085 292 I HN -0.081 nan 8.210 nan 0.000 0.427 293 A N 1.498 124.318 122.820 -0.001 0.000 1.841 293 A HA -0.245 4.075 4.320 0.000 0.000 0.216 293 A C 2.427 180.016 177.584 0.008 0.000 1.199 293 A CA 2.853 54.893 52.037 0.006 0.000 0.621 293 A CB -1.342 17.657 19.000 -0.002 0.000 0.835 293 A HN 0.398 nan 8.150 nan 0.000 0.445 294 T N 0.496 115.051 114.554 0.002 0.000 2.685 294 T HA -0.189 4.161 4.350 0.000 0.000 0.268 294 T C 1.791 176.495 174.700 0.007 0.000 1.034 294 T CA 1.421 63.523 62.100 0.002 0.000 1.149 294 T CB -0.395 68.472 68.868 -0.003 0.000 0.860 294 T HN 0.288 nan 8.240 nan 0.000 0.449 295 L N 1.625 122.854 121.223 0.010 0.000 2.093 295 L HA -0.054 4.287 4.340 0.000 0.000 0.208 295 L C 2.340 179.218 176.870 0.014 0.000 1.085 295 L CA 2.241 57.090 54.840 0.014 0.000 0.755 295 L CB -1.085 40.989 42.059 0.024 0.000 0.904 295 L HN 0.504 nan 8.230 nan 0.000 0.435 296 T N -4.437 110.128 114.554 0.019 0.000 3.092 296 T HA 0.252 4.602 4.350 0.000 0.000 0.258 296 T C 1.198 175.911 174.700 0.021 0.000 1.031 296 T CA 0.318 62.429 62.100 0.019 0.000 0.925 296 T CB 0.082 68.967 68.868 0.029 0.000 1.036 296 T HN 0.470 nan 8.240 nan 0.000 0.544 297 G N 0.769 109.580 108.800 0.019 0.000 2.305 297 G HA2 -0.009 3.951 3.960 0.000 0.000 0.287 297 G HA3 -0.009 3.951 3.960 0.000 0.000 0.287 297 G C 0.359 175.278 174.900 0.031 0.000 1.036 297 G CA -0.124 44.989 45.100 0.021 0.000 0.887 297 G HN 1.042 nan 8.290 nan 0.000 0.505 298 G N -1.450 107.369 108.800 0.032 0.000 2.491 298 G HA2 0.710 4.670 3.960 0.000 0.000 0.327 298 G HA3 0.710 4.670 3.960 0.000 0.000 0.327 298 G C -0.188 174.726 174.900 0.024 0.000 1.189 298 G CA 0.119 45.241 45.100 0.038 0.000 0.956 298 G HN 0.519 nan 8.290 nan 0.000 0.491 299 T N 0.404 114.971 114.554 0.022 0.000 2.795 299 T HA 0.407 4.757 4.350 0.000 0.000 0.282 299 T C 0.141 174.845 174.700 0.008 0.000 0.980 299 T CA -0.278 61.829 62.100 0.012 0.000 1.012 299 T CB 1.660 70.534 68.868 0.010 0.000 0.936 299 T HN 0.280 nan 8.240 nan 0.000 0.457 300 V N 4.776 124.690 119.914 0.001 0.000 2.530 300 V HA 0.273 4.393 4.120 0.000 0.000 0.282 300 V C 0.455 176.547 176.094 -0.002 0.000 1.048 300 V CA -0.470 61.828 62.300 -0.003 0.000 0.997 300 V CB 0.672 32.489 31.823 -0.011 0.000 0.987 300 V HN 0.784 nan 8.190 nan 0.000 0.477 301 I N 5.021 125.591 120.570 -0.001 0.000 2.268 301 I HA 0.200 4.370 4.170 0.000 0.000 0.290 301 I C 0.266 176.382 176.117 -0.002 0.000 1.125 301 I CA 0.075 61.375 61.300 -0.001 0.000 1.236 301 I CB 0.386 38.387 38.000 0.001 0.000 1.469 301 I HN 0.612 nan 8.210 nan 0.000 0.512 302 S N 3.645 119.343 115.700 -0.003 0.000 2.422 302 S HA 0.257 4.727 4.470 0.000 0.000 0.298 302 S C 0.871 175.470 174.600 -0.001 0.000 1.118 302 S CA -0.818 57.380 58.200 -0.003 0.000 1.083 302 S CB 1.776 64.973 63.200 -0.006 0.000 0.971 302 S HN 0.533 nan 8.310 nan 0.000 0.478 303 E N 2.042 122.242 120.200 0.001 0.000 2.333 303 E HA -0.200 4.150 4.350 0.000 0.000 0.200 303 E C 0.724 177.325 176.600 0.001 0.000 1.010 303 E CA 1.091 57.492 56.400 0.002 0.000 0.841 303 E CB 0.005 29.708 29.700 0.004 0.000 0.757 303 E HN 0.792 nan 8.360 nan 0.000 0.508 304 E N -0.413 119.788 120.200 0.000 0.000 2.512 304 E HA -0.031 4.319 4.350 0.000 0.000 0.195 304 E C 1.079 177.678 176.600 -0.001 0.000 1.083 304 E CA 0.276 56.676 56.400 -0.000 0.000 0.873 304 E CB 0.206 29.906 29.700 -0.001 0.000 0.897 304 E HN 0.339 nan 8.360 nan 0.000 0.514 305 I N -1.338 119.231 120.570 -0.001 0.000 4.338 305 I HA 0.263 4.433 4.170 0.000 0.000 0.329 305 I C 0.981 177.097 176.117 -0.001 0.000 1.378 305 I CA -0.138 61.161 61.300 -0.002 0.000 1.170 305 I CB 1.250 39.249 38.000 -0.002 0.000 1.206 305 I HN 0.103 nan 8.210 nan 0.000 0.432 306 G N 2.380 111.180 108.800 -0.000 0.000 2.167 306 G HA2 -0.188 3.772 3.960 0.000 0.000 0.194 306 G HA3 -0.188 3.772 3.960 0.000 0.000 0.194 306 G C -0.079 174.820 174.900 -0.001 0.000 1.027 306 G CA -0.367 44.733 45.100 -0.000 0.000 0.717 306 G HN 0.261 nan 8.290 nan 0.000 0.501 307 M N 0.549 120.149 119.600 -0.001 0.000 2.125 307 M HA 0.606 5.086 4.480 0.000 0.000 0.321 307 M C -0.009 176.291 176.300 -0.001 0.000 0.983 307 M CA -0.658 54.641 55.300 -0.001 0.000 0.934 307 M CB 1.540 34.139 32.600 -0.002 0.000 1.542 307 M HN 0.181 nan 8.290 nan 0.000 0.424 308 E N 2.224 122.423 120.200 -0.001 0.000 2.312 308 E HA 0.342 4.692 4.350 0.000 0.000 0.259 308 E C 0.327 176.926 176.600 -0.002 0.000 1.122 308 E CA -0.635 55.765 56.400 -0.000 0.000 0.922 308 E CB 1.472 31.172 29.700 -0.000 0.000 1.109 308 E HN 0.692 nan 8.360 nan 0.000 0.442 309 L N 0.889 122.112 121.223 -0.000 0.000 2.478 309 L HA -0.045 4.295 4.340 0.000 0.000 0.223 309 L C 1.508 178.374 176.870 -0.006 0.000 1.140 309 L CA 0.574 55.413 54.840 -0.003 0.000 0.842 309 L CB -0.300 41.760 42.059 0.001 0.000 0.953 309 L HN 0.508 nan 8.230 nan 0.000 0.452 310 E N 1.053 121.250 120.200 -0.005 0.000 2.204 310 E HA -0.121 4.229 4.350 0.000 0.000 0.194 310 E C 0.341 176.935 176.600 -0.010 0.000 0.989 310 E CA 0.923 57.319 56.400 -0.007 0.000 0.824 310 E CB 0.043 29.740 29.700 -0.004 0.000 0.756 310 E HN 0.350 nan 8.360 nan 0.000 0.477 311 K N 0.541 120.936 120.400 -0.009 0.000 2.457 311 K HA 0.571 4.891 4.320 0.000 0.000 0.226 311 K C -1.059 175.533 176.600 -0.013 0.000 1.114 311 K CA -0.222 56.059 56.287 -0.011 0.000 1.089 311 K CB 1.468 33.963 32.500 -0.008 0.000 1.739 311 K HN -0.043 nan 8.250 nan 0.000 0.473 312 A N 1.295 124.103 122.820 -0.019 0.000 2.497 312 A HA 0.439 4.759 4.320 0.000 0.000 0.280 312 A C -0.205 177.355 177.584 -0.040 0.000 1.065 312 A CA -0.792 51.231 52.037 -0.024 0.000 0.781 312 A CB 0.629 19.617 19.000 -0.020 0.000 1.289 312 A HN 0.420 nan 8.150 nan 0.000 0.415 313 T N 0.114 114.641 114.554 -0.044 0.000 2.910 313 T HA 0.576 4.926 4.350 0.000 0.000 0.279 313 T C 1.414 176.060 174.700 -0.088 0.000 0.989 313 T CA -0.672 61.388 62.100 -0.067 0.000 0.968 313 T CB 0.466 69.302 68.868 -0.053 0.000 1.135 313 T HN 0.355 nan 8.240 nan 0.000 0.562 314 L N 0.058 121.195 121.223 -0.142 0.000 2.051 314 L HA -0.166 4.174 4.340 0.000 0.000 0.214 314 L C 2.980 179.808 176.870 -0.069 0.000 1.076 314 L CA 1.909 56.615 54.840 -0.222 0.000 0.758 314 L CB -0.727 41.141 42.059 -0.318 0.000 0.890 314 L HN 0.873 nan 8.230 nan 0.000 0.433 315 E N -0.120 120.065 120.200 -0.024 0.000 2.301 315 E HA -0.280 4.070 4.350 0.000 0.000 0.202 315 E C 1.429 178.043 176.600 0.024 0.000 1.017 315 E CA 1.436 57.846 56.400 0.017 0.000 0.831 315 E CB 0.089 29.793 29.700 0.006 0.000 0.742 315 E HN 0.512 nan 8.360 nan 0.000 0.491 316 D N -0.491 119.914 120.400 0.007 0.000 2.216 316 D HA -0.038 4.602 4.640 0.000 0.000 0.208 316 D C 0.163 176.484 176.300 0.036 0.000 0.960 316 D CA 0.159 54.168 54.000 0.014 0.000 0.861 316 D CB 0.095 40.895 40.800 -0.001 0.000 0.985 316 D HN 0.091 nan 8.370 nan 0.000 0.493 317 L N 1.469 122.720 121.223 0.047 0.000 2.490 317 L HA 0.205 4.545 4.340 0.000 0.000 0.274 317 L C 1.528 178.488 176.870 0.150 0.000 1.201 317 L CA 0.139 55.039 54.840 0.100 0.000 0.869 317 L CB 0.235 42.366 42.059 0.120 0.000 1.123 317 L HN -0.128 nan 8.230 nan 0.000 0.484 318 G N 2.437 111.307 108.800 0.117 0.000 2.611 318 G HA2 0.373 4.333 3.960 0.000 0.000 0.273 318 G HA3 0.373 4.333 3.960 0.000 0.000 0.273 318 G C -0.695 174.267 174.900 0.104 0.000 1.305 318 G CA -0.239 44.917 45.100 0.092 0.000 1.010 318 G HN 0.602 nan 8.290 nan 0.000 0.509 319 Q N -1.720 118.098 119.800 0.030 0.000 2.327 319 Q HA 0.535 4.875 4.340 0.000 0.000 0.265 319 Q C -1.224 174.739 176.000 -0.061 0.000 0.993 319 Q CA -0.654 55.114 55.803 -0.059 0.000 0.885 319 Q CB 1.923 30.587 28.738 -0.122 0.000 1.379 319 Q HN 0.965 nan 8.270 nan 0.000 0.408 320 A N 2.566 125.337 122.820 -0.082 0.000 2.556 320 A HA 0.472 4.792 4.320 0.000 0.000 0.294 320 A C -0.449 177.087 177.584 -0.079 0.000 1.091 320 A CA -0.604 51.396 52.037 -0.060 0.000 0.704 320 A CB 1.757 20.739 19.000 -0.030 0.000 1.300 320 A HN 0.800 nan 8.150 nan 0.000 0.406 321 K N -0.624 119.738 120.400 -0.063 0.000 2.365 321 K HA 0.072 4.392 4.320 0.000 0.000 0.199 321 K C 0.462 177.028 176.600 -0.056 0.000 1.045 321 K CA 1.016 57.265 56.287 -0.064 0.000 0.962 321 K CB 0.101 32.570 32.500 -0.050 0.000 0.759 321 K HN 0.559 nan 8.250 nan 0.000 0.469 322 R N -0.719 119.752 120.500 -0.049 0.000 2.664 322 R HA 0.212 4.552 4.340 0.000 0.000 0.266 322 R C -2.005 174.270 176.300 -0.041 0.000 1.046 322 R CA -0.634 55.441 56.100 -0.042 0.000 0.885 322 R CB 2.030 32.308 30.300 -0.037 0.000 1.254 322 R HN -0.078 nan 8.270 nan 0.000 0.465 323 V N -0.630 119.261 119.914 -0.040 0.000 2.932 323 V HA 0.791 4.912 4.120 0.000 0.000 0.307 323 V C -1.328 174.739 176.094 -0.045 0.000 1.147 323 V CA -0.798 61.474 62.300 -0.047 0.000 0.951 323 V CB 2.157 33.955 31.823 -0.042 0.000 1.031 323 V HN 0.404 nan 8.190 nan 0.000 0.426 324 V N 5.603 125.481 119.914 -0.061 0.000 2.482 324 V HA 0.590 4.710 4.120 0.000 0.000 0.295 324 V C -0.267 175.792 176.094 -0.058 0.000 1.026 324 V CA -0.345 61.928 62.300 -0.044 0.000 0.856 324 V CB 1.640 33.437 31.823 -0.044 0.000 1.001 324 V HN 0.974 nan 8.190 nan 0.000 0.424 325 I N 1.701 122.265 120.570 -0.010 0.000 2.603 325 I HA 0.740 4.910 4.170 0.000 0.000 0.300 325 I C -0.756 175.411 176.117 0.083 0.000 1.017 325 I CA -0.540 60.761 61.300 0.002 0.000 1.098 325 I CB 2.342 40.356 38.000 0.023 0.000 1.279 325 I HN 0.394 nan 8.210 nan 0.000 0.437 326 N N 3.307 121.997 118.700 -0.017 0.000 2.741 326 N HA 0.299 5.039 4.740 0.000 0.000 0.310 326 N C 0.654 175.901 175.510 -0.437 0.000 1.295 326 N CA -0.785 52.235 53.050 -0.051 0.000 0.893 326 N CB 1.241 39.678 38.487 -0.084 0.000 1.247 326 N HN 0.661 nan 8.380 nan 0.000 0.596 327 K N -0.052 120.083 120.400 -0.443 0.000 2.127 327 K HA -0.239 4.081 4.320 0.000 0.000 0.212 327 K C -0.454 175.842 176.600 -0.508 0.000 1.050 327 K CA 2.578 58.479 56.287 -0.643 0.000 0.929 327 K CB -0.010 32.366 32.500 -0.206 0.000 0.715 327 K HN 0.703 nan 8.250 nan 0.000 0.457 328 D N -2.118 118.113 120.400 -0.282 0.000 2.672 328 D HA 0.089 4.729 4.640 0.000 0.000 0.287 328 D C -1.007 175.223 176.300 -0.118 0.000 1.559 328 D CA -0.441 53.457 54.000 -0.170 0.000 0.796 328 D CB 0.744 41.484 40.800 -0.101 0.000 1.181 328 D HN -0.075 nan 8.370 nan 0.000 0.458 329 T N -0.221 114.246 114.554 -0.144 0.000 2.886 329 T HA 0.644 4.994 4.350 0.000 0.000 0.292 329 T C -0.649 173.907 174.700 -0.239 0.000 1.012 329 T CA -0.558 61.446 62.100 -0.159 0.000 0.982 329 T CB 2.139 70.934 68.868 -0.122 0.000 1.018 329 T HN -0.132 nan 8.240 nan 0.000 0.451 330 T N 2.405 116.692 114.554 -0.444 0.000 2.792 330 T HA 0.668 5.018 4.350 0.000 0.000 0.280 330 T C -0.238 174.085 174.700 -0.628 0.000 0.990 330 T CA -0.589 61.155 62.100 -0.594 0.000 0.960 330 T CB 1.410 69.722 68.868 -0.927 0.000 0.939 330 T HN 0.729 nan 8.240 nan 0.000 0.439 331 T N 3.329 117.676 114.554 -0.345 0.000 2.881 331 T HA 0.651 5.001 4.350 0.000 0.000 0.291 331 T C -0.780 173.836 174.700 -0.140 0.000 0.990 331 T CA -0.701 61.261 62.100 -0.229 0.000 0.976 331 T CB 0.204 68.982 68.868 -0.150 0.000 0.970 331 T HN 0.474 nan 8.240 nan 0.000 0.438 332 I N 5.823 126.338 120.570 -0.090 0.000 2.312 332 I HA 0.453 4.623 4.170 0.000 0.000 0.290 332 I C -0.332 175.769 176.117 -0.026 0.000 1.008 332 I CA -0.866 60.413 61.300 -0.036 0.000 1.226 332 I CB 1.361 39.376 38.000 0.024 0.000 1.371 332 I HN 0.592 nan 8.210 nan 0.000 0.468 333 I N 6.026 126.577 120.570 -0.031 0.000 2.362 333 I HA 0.270 4.440 4.170 0.000 0.000 0.289 333 I C -0.521 175.580 176.117 -0.026 0.000 0.994 333 I CA -0.453 60.830 61.300 -0.029 0.000 1.158 333 I CB 1.172 39.151 38.000 -0.035 0.000 1.315 333 I HN 0.556 nan 8.210 nan 0.000 0.451 334 D N 5.145 125.533 120.400 -0.021 0.000 4.044 334 D HA -0.117 4.523 4.640 0.000 0.000 0.242 334 D C -0.030 176.257 176.300 -0.022 0.000 1.076 334 D CA 0.828 54.816 54.000 -0.021 0.000 1.171 334 D CB -0.136 40.648 40.800 -0.026 0.000 0.866 334 D HN 0.818 nan 8.370 nan 0.000 0.413 335 G N 1.499 110.292 108.800 -0.013 0.000 2.353 335 G HA2 0.447 4.407 3.960 0.000 0.000 0.284 335 G HA3 0.447 4.407 3.960 0.000 0.000 0.284 335 G C 1.408 176.300 174.900 -0.013 0.000 1.172 335 G CA -0.336 44.758 45.100 -0.010 0.000 0.854 335 G HN 0.361 nan 8.290 nan 0.000 0.485 336 V N 2.787 122.690 119.914 -0.019 0.000 2.809 336 V HA 0.006 4.126 4.120 0.000 0.000 0.256 336 V C 2.161 178.251 176.094 -0.006 0.000 1.080 336 V CA 0.835 63.125 62.300 -0.017 0.000 1.102 336 V CB -1.253 30.554 31.823 -0.027 0.000 0.705 336 V HN 0.791 nan 8.190 nan 0.000 0.475 337 G N 1.297 110.097 108.800 0.000 0.000 2.178 337 G HA2 0.025 3.985 3.960 0.000 0.000 0.244 337 G HA3 0.025 3.985 3.960 0.000 0.000 0.244 337 G C 0.003 174.904 174.900 0.002 0.000 1.213 337 G CA -0.076 45.027 45.100 0.005 0.000 0.912 337 G HN 0.550 nan 8.290 nan 0.000 0.474 338 E N 1.611 121.812 120.200 0.002 0.000 2.374 338 E HA 0.073 4.423 4.350 0.000 0.000 0.260 338 E C 0.817 177.416 176.600 -0.000 0.000 1.101 338 E CA -0.449 55.951 56.400 0.000 0.000 0.907 338 E CB 1.226 30.927 29.700 0.001 0.000 1.014 338 E HN 0.609 nan 8.360 nan 0.000 0.427 339 E N 0.927 121.126 120.200 -0.002 0.000 2.274 339 E HA -0.151 4.199 4.350 0.000 0.000 0.194 339 E C 1.821 178.420 176.600 -0.002 0.000 0.996 339 E CA 0.678 57.077 56.400 -0.002 0.000 0.840 339 E CB -0.025 29.673 29.700 -0.003 0.000 0.772 339 E HN 0.569 nan 8.360 nan 0.000 0.491 340 A N 1.973 124.793 122.820 -0.001 0.000 1.892 340 A HA -0.195 4.125 4.320 0.000 0.000 0.218 340 A C 2.428 180.012 177.584 -0.001 0.000 1.188 340 A CA 2.144 54.180 52.037 -0.001 0.000 0.631 340 A CB -0.543 18.457 19.000 -0.001 0.000 0.822 340 A HN 0.300 nan 8.150 nan 0.000 0.447 341 A N -0.457 122.362 122.820 -0.001 0.000 1.855 341 A HA 0.061 4.381 4.320 0.000 0.000 0.213 341 A C 2.125 179.708 177.584 -0.002 0.000 1.195 341 A CA 1.296 53.333 52.037 -0.001 0.000 0.610 341 A CB -0.586 18.415 19.000 0.001 0.000 0.837 341 A HN 0.453 nan 8.150 nan 0.000 0.444 342 I N -0.641 119.928 120.570 -0.002 0.000 2.208 342 I HA -0.272 3.898 4.170 0.000 0.000 0.245 342 I C 2.762 178.877 176.117 -0.003 0.000 1.097 342 I CA 1.355 62.654 61.300 -0.002 0.000 1.363 342 I CB -0.204 37.796 38.000 -0.001 0.000 1.051 342 I HN 0.269 nan 8.210 nan 0.000 0.413 343 Q N 0.837 120.635 119.800 -0.004 0.000 2.046 343 Q HA -0.084 4.256 4.340 0.000 0.000 0.200 343 Q C 2.277 178.274 176.000 -0.005 0.000 0.975 343 Q CA 1.819 57.620 55.803 -0.004 0.000 0.836 343 Q CB -1.019 27.716 28.738 -0.004 0.000 0.896 343 Q HN 0.513 nan 8.270 nan 0.000 0.428 344 G N 0.187 108.984 108.800 -0.005 0.000 2.469 344 G HA2 -0.351 3.609 3.960 0.000 0.000 0.219 344 G HA3 -0.351 3.609 3.960 0.000 0.000 0.219 344 G C 1.638 176.534 174.900 -0.007 0.000 1.150 344 G CA 1.190 46.287 45.100 -0.005 0.000 0.763 344 G HN 0.318 nan 8.290 nan 0.000 0.561 345 R N 0.030 120.526 120.500 -0.007 0.000 2.081 345 R HA -0.000 4.340 4.340 0.000 0.000 0.235 345 R C 2.654 178.948 176.300 -0.011 0.000 1.131 345 R CA 1.411 57.506 56.100 -0.009 0.000 0.960 345 R CB -0.706 29.588 30.300 -0.009 0.000 0.856 345 R HN 0.228 nan 8.270 nan 0.000 0.436 346 V N 0.766 120.674 119.914 -0.010 0.000 2.407 346 V HA -0.210 3.910 4.120 0.000 0.000 0.248 346 V C 2.340 178.428 176.094 -0.011 0.000 1.055 346 V CA 1.895 64.189 62.300 -0.011 0.000 1.049 346 V CB -0.949 30.869 31.823 -0.009 0.000 0.662 346 V HN 0.532 nan 8.190 nan 0.000 0.455 347 A N -0.948 121.867 122.820 -0.009 0.000 1.969 347 A HA -0.244 4.076 4.320 0.000 0.000 0.218 347 A C 2.212 179.790 177.584 -0.010 0.000 1.169 347 A CA 1.721 53.752 52.037 -0.009 0.000 0.635 347 A CB -0.377 18.619 19.000 -0.007 0.000 0.810 347 A HN 0.619 nan 8.150 nan 0.000 0.445 348 Q N -0.422 119.371 119.800 -0.011 0.000 1.990 348 Q HA -0.100 4.240 4.340 0.000 0.000 0.200 348 Q C 2.090 178.081 176.000 -0.014 0.000 0.980 348 Q CA 1.660 57.456 55.803 -0.012 0.000 0.832 348 Q CB -0.316 28.415 28.738 -0.012 0.000 0.897 348 Q HN 0.721 nan 8.270 nan 0.000 0.427 349 I N 0.266 120.826 120.570 -0.017 0.000 2.208 349 I HA -0.295 3.875 4.170 0.000 0.000 0.245 349 I C 2.493 178.599 176.117 -0.020 0.000 1.097 349 I CA 0.945 62.233 61.300 -0.021 0.000 1.363 349 I CB -0.282 37.704 38.000 -0.024 0.000 1.051 349 I HN 0.157 nan 8.210 nan 0.000 0.413 350 R N 0.945 121.435 120.500 -0.016 0.000 2.136 350 R HA -0.257 4.083 4.340 0.000 0.000 0.242 350 R C 2.365 178.656 176.300 -0.014 0.000 1.131 350 R CA 2.005 58.096 56.100 -0.015 0.000 0.937 350 R CB -0.367 29.926 30.300 -0.012 0.000 0.863 350 R HN 0.391 nan 8.270 nan 0.000 0.435 351 Q N -0.414 119.378 119.800 -0.012 0.000 2.181 351 Q HA -0.211 4.129 4.340 0.000 0.000 0.205 351 Q C 2.095 178.087 176.000 -0.012 0.000 0.980 351 Q CA 1.555 57.351 55.803 -0.011 0.000 0.862 351 Q CB 0.011 28.744 28.738 -0.010 0.000 0.905 351 Q HN 0.536 nan 8.270 nan 0.000 0.429 352 Q N 0.072 119.863 119.800 -0.015 0.000 2.234 352 Q HA -0.155 4.185 4.340 0.000 0.000 0.206 352 Q C 1.998 177.987 176.000 -0.018 0.000 0.980 352 Q CA 0.975 56.768 55.803 -0.017 0.000 0.869 352 Q CB -0.195 28.530 28.738 -0.022 0.000 0.912 352 Q HN 0.505 nan 8.270 nan 0.000 0.436 353 I N 1.153 121.712 120.570 -0.019 0.000 2.493 353 I HA -0.214 3.956 4.170 0.000 0.000 0.254 353 I C 1.965 178.074 176.117 -0.013 0.000 1.160 353 I CA 0.736 62.025 61.300 -0.019 0.000 1.445 353 I CB -0.246 37.741 38.000 -0.020 0.000 1.086 353 I HN 0.056 nan 8.210 nan 0.000 0.433 354 E N 1.552 121.746 120.200 -0.011 0.000 2.072 354 E HA -0.164 4.186 4.350 0.000 0.000 0.190 354 E C 1.199 177.796 176.600 -0.006 0.000 0.982 354 E CA 1.045 57.441 56.400 -0.007 0.000 0.803 354 E CB -0.526 29.170 29.700 -0.007 0.000 0.755 354 E HN 0.602 nan 8.360 nan 0.000 0.453 355 E N 1.119 121.315 120.200 -0.007 0.000 2.303 355 E HA 0.343 4.693 4.350 0.000 0.000 0.211 355 E C -0.341 176.256 176.600 -0.004 0.000 1.223 355 E CA -0.152 56.245 56.400 -0.005 0.000 1.344 355 E CB 0.255 29.952 29.700 -0.006 0.000 1.299 355 E HN 0.089 nan 8.360 nan 0.000 0.441 356 A N 0.981 123.799 122.820 -0.004 0.000 2.274 356 A HA 0.326 4.646 4.320 0.000 0.000 0.309 356 A C 1.014 178.600 177.584 0.004 0.000 1.226 356 A CA -0.620 51.416 52.037 -0.001 0.000 0.853 356 A CB 0.456 19.453 19.000 -0.006 0.000 1.146 356 A HN 0.251 nan 8.150 nan 0.000 0.518 357 T N -1.065 113.495 114.554 0.009 0.000 3.010 357 T HA 0.294 4.644 4.350 0.000 0.000 0.257 357 T C 0.754 175.465 174.700 0.019 0.000 1.020 357 T CA 0.581 62.688 62.100 0.011 0.000 0.938 357 T CB -0.064 68.810 68.868 0.010 0.000 1.049 357 T HN 0.727 nan 8.240 nan 0.000 0.522 358 S N -0.341 115.375 115.700 0.027 0.000 2.638 358 S HA 0.409 4.879 4.470 0.000 0.000 0.302 358 S C 0.014 174.642 174.600 0.047 0.000 1.096 358 S CA -0.639 57.587 58.200 0.043 0.000 0.953 358 S CB 1.733 64.971 63.200 0.063 0.000 1.107 358 S HN 0.080 nan 8.310 nan 0.000 0.503 359 D N 0.784 121.220 120.400 0.062 0.000 2.183 359 D HA -0.039 4.601 4.640 0.000 0.000 0.205 359 D C 1.242 177.585 176.300 0.072 0.000 0.962 359 D CA 1.032 55.065 54.000 0.055 0.000 0.849 359 D CB -0.138 40.694 40.800 0.054 0.000 0.978 359 D HN 0.705 nan 8.370 nan 0.000 0.488 360 Y N 2.071 122.370 120.300 -0.003 0.000 2.274 360 Y HA -0.147 4.404 4.550 0.000 0.000 0.290 360 Y C 1.726 177.618 175.900 -0.014 0.000 1.145 360 Y CA 1.383 59.480 58.100 -0.005 0.000 1.203 360 Y CB 0.092 38.551 38.460 -0.002 0.000 0.984 360 Y HN -0.130 nan 8.280 nan 0.000 0.533 361 D N -0.460 119.984 120.400 0.073 0.000 2.312 361 D HA -0.110 4.530 4.640 0.000 0.000 0.211 361 D C 1.962 178.223 176.300 -0.066 0.000 0.964 361 D CA 0.646 54.642 54.000 -0.006 0.000 0.877 361 D CB 0.024 40.846 40.800 0.037 0.000 0.924 361 D HN 0.425 nan 8.370 nan 0.000 0.515 362 R N 0.862 121.327 120.500 -0.059 0.000 2.052 362 R HA -0.068 4.272 4.340 0.000 0.000 0.224 362 R C 2.311 178.552 176.300 -0.099 0.000 1.165 362 R CA 0.831 56.895 56.100 -0.060 0.000 0.939 362 R CB 0.119 30.401 30.300 -0.030 0.000 0.834 362 R HN 0.090 nan 8.270 nan 0.000 0.435 363 E N 0.937 121.065 120.200 -0.121 0.000 2.147 363 E HA -0.249 4.101 4.350 0.000 0.000 0.199 363 E C 1.653 178.150 176.600 -0.172 0.000 1.005 363 E CA 1.023 57.345 56.400 -0.130 0.000 0.810 363 E CB -0.184 29.439 29.700 -0.128 0.000 0.736 363 E HN 0.154 nan 8.360 nan 0.000 0.460 364 K N 0.771 121.008 120.400 -0.273 0.000 2.209 364 K HA -0.005 4.315 4.320 0.000 0.000 0.204 364 K C 2.279 178.786 176.600 -0.155 0.000 1.048 364 K CA 0.649 56.775 56.287 -0.269 0.000 0.940 364 K CB -0.231 32.035 32.500 -0.392 0.000 0.729 364 K HN 0.283 nan 8.250 nan 0.000 0.451 365 L N -0.032 121.118 121.223 -0.122 0.000 2.209 365 L HA -0.048 4.292 4.340 0.000 0.000 0.207 365 L C 2.151 178.984 176.870 -0.062 0.000 1.094 365 L CA 0.672 55.465 54.840 -0.080 0.000 0.790 365 L CB -0.187 41.835 42.059 -0.062 0.000 0.932 365 L HN 0.105 nan 8.230 nan 0.000 0.447 366 Q N -0.069 119.693 119.800 -0.064 0.000 2.331 366 Q HA -0.123 4.217 4.340 0.000 0.000 0.203 366 Q C 1.830 177.805 176.000 -0.042 0.000 0.944 366 Q CA 0.774 56.550 55.803 -0.046 0.000 0.892 366 Q CB 0.229 28.942 28.738 -0.041 0.000 0.983 366 Q HN 0.436 nan 8.270 nan 0.000 0.482 367 E N 0.006 120.173 120.200 -0.055 0.000 2.208 367 E HA -0.090 4.260 4.350 0.000 0.000 0.193 367 E C 1.815 178.396 176.600 -0.032 0.000 0.988 367 E CA 0.399 56.774 56.400 -0.041 0.000 0.828 367 E CB 0.214 29.883 29.700 -0.052 0.000 0.763 367 E HN 0.172 nan 8.360 nan 0.000 0.478 368 R N 0.313 120.788 120.500 -0.043 0.000 2.066 368 R HA -0.075 4.265 4.340 0.000 0.000 0.224 368 R C 2.640 178.926 176.300 -0.024 0.000 1.122 368 R CA 1.252 57.331 56.100 -0.035 0.000 0.974 368 R CB -0.305 29.967 30.300 -0.047 0.000 0.871 368 R HN 0.185 nan 8.270 nan 0.000 0.435 369 V N -0.986 118.912 119.914 -0.026 0.000 2.392 369 V HA -0.183 3.937 4.120 0.000 0.000 0.249 369 V C 2.171 178.257 176.094 -0.013 0.000 1.059 369 V CA 1.895 64.184 62.300 -0.019 0.000 1.051 369 V CB -0.959 30.852 31.823 -0.020 0.000 0.658 369 V HN 0.259 nan 8.190 nan 0.000 0.455 370 A N 0.774 123.586 122.820 -0.013 0.000 1.825 370 A HA -0.176 4.144 4.320 0.000 0.000 0.214 370 A C 2.288 179.872 177.584 0.000 0.000 1.206 370 A CA 2.200 54.233 52.037 -0.007 0.000 0.609 370 A CB -0.852 18.143 19.000 -0.008 0.000 0.851 370 A HN 0.544 nan 8.150 nan 0.000 0.445 371 K N -1.165 119.239 120.400 0.006 0.000 2.107 371 K HA -0.221 4.099 4.320 0.000 0.000 0.211 371 K C 1.868 178.478 176.600 0.017 0.000 1.049 371 K CA 1.855 58.154 56.287 0.020 0.000 0.927 371 K CB -0.348 32.174 32.500 0.036 0.000 0.714 371 K HN 0.380 nan 8.250 nan 0.000 0.452 372 L N -0.296 120.932 121.223 0.009 0.000 2.071 372 L HA 0.045 4.385 4.340 0.000 0.000 0.201 372 L C 1.996 178.868 176.870 0.003 0.000 1.076 372 L CA 1.819 56.663 54.840 0.007 0.000 0.755 372 L CB -0.610 41.449 42.059 0.000 0.000 0.915 372 L HN 0.116 nan 8.230 nan 0.000 0.445 373 A N -1.120 121.699 122.820 -0.001 0.000 2.123 373 A HA 0.154 4.474 4.320 0.000 0.000 0.214 373 A C 2.172 179.754 177.584 -0.002 0.000 1.152 373 A CA 0.880 52.915 52.037 -0.003 0.000 0.728 373 A CB -1.121 17.877 19.000 -0.005 0.000 0.814 373 A HN 0.492 nan 8.150 nan 0.000 0.464 374 G N -0.487 108.312 108.800 -0.001 0.000 2.422 374 G HA2 0.357 4.317 3.960 0.000 0.000 0.218 374 G HA3 0.357 4.317 3.960 0.000 0.000 0.218 374 G C 1.113 176.012 174.900 -0.002 0.000 1.140 374 G CA 0.696 45.794 45.100 -0.002 0.000 0.775 374 G HN 1.670 nan 8.290 nan 0.000 0.545 375 G N -1.850 106.949 108.800 -0.000 0.000 2.828 375 G HA2 0.058 4.018 3.960 0.000 0.000 0.463 375 G HA3 0.058 4.018 3.960 0.000 0.000 0.463 375 G C -0.745 174.151 174.900 -0.006 0.000 1.394 375 G CA -0.371 44.727 45.100 -0.003 0.000 0.862 375 G HN 1.012 nan 8.290 nan 0.000 0.540 376 V N 0.255 120.163 119.914 -0.010 0.000 2.531 376 V HA 0.751 4.871 4.120 0.000 0.000 0.301 376 V C 0.655 176.738 176.094 -0.018 0.000 1.034 376 V CA -0.109 62.182 62.300 -0.016 0.000 0.865 376 V CB 1.501 33.312 31.823 -0.019 0.000 0.995 376 V HN 2.113 nan 8.190 nan 0.000 0.424 377 A N 4.445 127.253 122.820 -0.020 0.000 2.252 377 A HA 0.741 5.061 4.320 0.000 0.000 0.309 377 A C -0.218 177.352 177.584 -0.024 0.000 1.285 377 A CA -0.446 51.579 52.037 -0.020 0.000 0.900 377 A CB 0.981 19.970 19.000 -0.018 0.000 1.157 377 A HN 1.444 nan 8.150 nan 0.000 0.536 378 V N 2.491 122.391 119.914 -0.023 0.000 2.427 378 V HA 0.689 4.809 4.120 0.000 0.000 0.286 378 V C -0.321 175.760 176.094 -0.023 0.000 1.034 378 V CA -0.628 61.657 62.300 -0.025 0.000 0.893 378 V CB 0.875 32.683 31.823 -0.025 0.000 0.982 378 V HN 0.626 nan 8.190 nan 0.000 0.452 379 I N 5.605 126.160 120.570 -0.025 0.000 2.321 379 I HA 0.439 4.609 4.170 0.000 0.000 0.291 379 I C 0.259 176.363 176.117 -0.021 0.000 0.998 379 I CA -0.490 60.797 61.300 -0.022 0.000 1.227 379 I CB 1.430 39.416 38.000 -0.024 0.000 1.368 379 I HN 0.651 nan 8.210 nan 0.000 0.466 380 K N 6.026 126.416 120.400 -0.017 0.000 2.234 380 K HA 0.424 4.744 4.320 0.000 0.000 0.277 380 K C -0.835 175.757 176.600 -0.014 0.000 1.038 380 K CA -0.653 55.624 56.287 -0.016 0.000 0.888 380 K CB 2.050 34.541 32.500 -0.015 0.000 1.091 380 K HN 0.308 nan 8.250 nan 0.000 0.467 381 V N 3.077 122.983 119.914 -0.014 0.000 2.389 381 V HA 0.186 4.306 4.120 0.000 0.000 0.264 381 V C 0.764 176.852 176.094 -0.010 0.000 1.049 381 V CA -0.474 61.819 62.300 -0.012 0.000 0.932 381 V CB 0.859 32.675 31.823 -0.011 0.000 1.011 381 V HN 0.903 nan 8.190 nan 0.000 0.475 382 G N 3.430 112.225 108.800 -0.009 0.000 2.412 382 G HA2 0.812 4.772 3.960 0.000 0.000 0.318 382 G HA3 0.812 4.772 3.960 0.000 0.000 0.318 382 G C -0.418 174.478 174.900 -0.007 0.000 1.146 382 G CA 0.201 45.297 45.100 -0.008 0.000 0.882 382 G HN 1.193 nan 8.290 nan 0.000 0.501 383 A N -0.546 122.271 122.820 -0.006 0.000 2.511 383 A HA 0.790 5.110 4.320 0.000 0.000 0.293 383 A C 0.732 178.313 177.584 -0.005 0.000 1.098 383 A CA 0.432 52.466 52.037 -0.005 0.000 0.643 383 A CB 0.348 19.345 19.000 -0.005 0.000 1.302 383 A HN 1.778 nan 8.150 nan 0.000 0.446 384 A N -0.507 122.310 122.820 -0.004 0.000 1.855 384 A HA 0.443 4.763 4.320 0.000 0.000 0.213 384 A C 1.394 178.976 177.584 -0.004 0.000 1.195 384 A CA 2.331 54.366 52.037 -0.004 0.000 0.610 384 A CB -0.657 18.341 19.000 -0.004 0.000 0.837 384 A HN 1.914 nan 8.150 nan 0.000 0.444 385 T N -2.350 112.201 114.554 -0.004 0.000 2.940 385 T HA 0.373 4.723 4.350 0.000 0.000 0.288 385 T C 0.765 175.463 174.700 -0.003 0.000 1.033 385 T CA 0.053 62.151 62.100 -0.003 0.000 1.033 385 T CB 1.637 70.503 68.868 -0.003 0.000 1.079 385 T HN 0.387 nan 8.240 nan 0.000 0.496 386 E N 1.111 121.309 120.200 -0.003 0.000 2.070 386 E HA -0.146 4.204 4.350 0.000 0.000 0.197 386 E C 1.947 178.546 176.600 -0.003 0.000 1.004 386 E CA 1.934 58.332 56.400 -0.003 0.000 0.805 386 E CB -0.171 29.527 29.700 -0.003 0.000 0.744 386 E HN 0.578 nan 8.360 nan 0.000 0.451 387 V N 0.778 120.690 119.914 -0.002 0.000 2.237 387 V HA -0.278 3.842 4.120 0.000 0.000 0.245 387 V C 2.289 178.382 176.094 -0.002 0.000 1.046 387 V CA 2.260 64.559 62.300 -0.002 0.000 1.007 387 V CB -0.791 31.031 31.823 -0.001 0.000 0.638 387 V HN 0.311 nan 8.190 nan 0.000 0.445 388 E N -0.539 119.659 120.200 -0.002 0.000 2.108 388 E HA -0.313 4.037 4.350 0.000 0.000 0.203 388 E C 2.241 178.839 176.600 -0.003 0.000 1.022 388 E CA 2.186 58.585 56.400 -0.003 0.000 0.823 388 E CB -0.201 29.497 29.700 -0.003 0.000 0.744 388 E HN 0.476 nan 8.360 nan 0.000 0.456 389 M N 0.417 120.014 119.600 -0.004 0.000 2.084 389 M HA -0.207 4.274 4.480 0.000 0.000 0.259 389 M C 1.852 178.149 176.300 -0.004 0.000 1.072 389 M CA 1.696 56.994 55.300 -0.004 0.000 1.107 389 M CB -0.164 32.433 32.600 -0.005 0.000 1.299 389 M HN -0.102 nan 8.290 nan 0.000 0.413 390 K N -0.376 120.022 120.400 -0.003 0.000 2.525 390 K HA -0.097 4.223 4.320 0.000 0.000 0.192 390 K C 1.743 178.343 176.600 -0.001 0.000 1.029 390 K CA 0.275 56.560 56.287 -0.003 0.000 1.029 390 K CB 0.124 32.623 32.500 -0.002 0.000 0.814 390 K HN 0.323 nan 8.250 nan 0.000 0.503 391 E N 1.352 121.552 120.200 -0.001 0.000 2.057 391 E HA -0.104 4.246 4.350 0.000 0.000 0.190 391 E C 1.694 178.293 176.600 -0.001 0.000 0.969 391 E CA 0.937 57.336 56.400 -0.000 0.000 0.812 391 E CB 0.240 29.939 29.700 -0.001 0.000 0.777 391 E HN 0.082 nan 8.360 nan 0.000 0.455 392 K N 1.146 121.545 120.400 -0.002 0.000 2.044 392 K HA -0.190 4.131 4.320 0.000 0.000 0.210 392 K C 2.306 178.904 176.600 -0.004 0.000 1.049 392 K CA 1.582 57.867 56.287 -0.003 0.000 0.927 392 K CB -0.114 32.383 32.500 -0.004 0.000 0.713 392 K HN -0.084 nan 8.250 nan 0.000 0.443 393 K N 0.097 120.494 120.400 -0.005 0.000 2.113 393 K HA -0.197 4.124 4.320 0.000 0.000 0.208 393 K C 1.913 178.509 176.600 -0.005 0.000 1.047 393 K CA 1.448 57.730 56.287 -0.008 0.000 0.928 393 K CB -0.163 32.332 32.500 -0.008 0.000 0.716 393 K HN 0.248 nan 8.250 nan 0.000 0.446 394 A N 1.163 123.983 122.820 -0.000 0.000 1.898 394 A HA -0.139 4.181 4.320 0.000 0.000 0.216 394 A C 2.087 179.677 177.584 0.009 0.000 1.181 394 A CA 1.376 53.416 52.037 0.006 0.000 0.620 394 A CB -0.378 18.627 19.000 0.008 0.000 0.819 394 A HN 0.323 nan 8.150 nan 0.000 0.442 395 R N -0.743 119.761 120.500 0.006 0.000 2.148 395 R HA -0.009 4.332 4.340 0.000 0.000 0.223 395 R C 1.918 178.223 176.300 0.007 0.000 1.088 395 R CA 1.068 57.174 56.100 0.009 0.000 0.985 395 R CB -0.312 29.991 30.300 0.004 0.000 0.880 395 R HN 0.400 nan 8.270 nan 0.000 0.451 396 V N 0.979 120.892 119.914 -0.001 0.000 2.307 396 V HA -0.231 3.889 4.120 0.000 0.000 0.245 396 V C 1.840 177.924 176.094 -0.017 0.000 1.045 396 V CA 1.835 64.129 62.300 -0.009 0.000 1.024 396 V CB -0.356 31.458 31.823 -0.014 0.000 0.651 396 V HN 0.327 nan 8.190 nan 0.000 0.449 397 E N -0.220 119.968 120.200 -0.020 0.000 2.153 397 E HA -0.210 4.140 4.350 0.000 0.000 0.194 397 E C 1.978 178.583 176.600 0.008 0.000 0.988 397 E CA 1.234 57.608 56.400 -0.043 0.000 0.811 397 E CB -0.141 29.534 29.700 -0.041 0.000 0.746 397 E HN 0.584 nan 8.360 nan 0.000 0.466 398 D N 0.335 120.765 120.400 0.050 0.000 2.097 398 D HA -0.146 4.494 4.640 0.000 0.000 0.195 398 D C 1.925 178.278 176.300 0.088 0.000 0.989 398 D CA 1.392 55.447 54.000 0.092 0.000 0.827 398 D CB -0.186 40.646 40.800 0.053 0.000 0.966 398 D HN 0.163 nan 8.370 nan 0.000 0.456 399 A N 0.922 123.767 122.820 0.043 0.000 1.855 399 A HA -0.133 4.187 4.320 0.000 0.000 0.215 399 A C 2.333 179.938 177.584 0.035 0.000 1.191 399 A CA 1.038 53.095 52.037 0.033 0.000 0.613 399 A CB -1.001 18.008 19.000 0.014 0.000 0.829 399 A HN 0.241 nan 8.150 nan 0.000 0.442 400 L N -1.009 120.217 121.223 0.005 0.000 2.034 400 L HA -0.319 4.021 4.340 0.000 0.000 0.217 400 L C 2.613 179.489 176.870 0.009 0.000 1.077 400 L CA 2.420 57.246 54.840 -0.023 0.000 0.769 400 L CB -0.486 41.524 42.059 -0.082 0.000 0.890 400 L HN 0.529 nan 8.230 nan 0.000 0.435 401 H N -0.579 118.488 119.070 -0.005 0.000 2.289 401 H HA -0.146 4.410 4.556 0.000 0.000 0.296 401 H C 2.121 177.448 175.328 -0.001 0.000 1.091 401 H CA 1.697 57.743 56.048 -0.004 0.000 1.274 401 H CB -0.438 29.321 29.762 -0.005 0.000 1.364 401 H HN 0.545 nan 8.280 nan 0.000 0.490 402 A N -0.284 122.619 122.820 0.138 0.000 2.066 402 A HA -0.089 4.231 4.320 0.000 0.000 0.218 402 A C 2.497 180.111 177.584 0.051 0.000 1.157 402 A CA 1.677 53.755 52.037 0.069 0.000 0.670 402 A CB -0.408 18.619 19.000 0.044 0.000 0.804 402 A HN 0.461 nan 8.150 nan 0.000 0.453 403 T N -0.903 113.681 114.554 0.049 0.000 2.894 403 T HA -0.030 4.320 4.350 0.000 0.000 0.258 403 T C 2.044 176.763 174.700 0.032 0.000 1.043 403 T CA 1.012 63.130 62.100 0.031 0.000 1.141 403 T CB -0.161 68.719 68.868 0.020 0.000 0.873 403 T HN 0.450 nan 8.240 nan 0.000 0.449 404 R N 0.839 121.363 120.500 0.041 0.000 2.127 404 R HA -0.012 4.328 4.340 0.000 0.000 0.238 404 R C 2.618 178.945 176.300 0.044 0.000 1.134 404 R CA 1.287 57.410 56.100 0.039 0.000 0.975 404 R CB -0.319 30.010 30.300 0.048 0.000 0.865 404 R HN 0.391 nan 8.270 nan 0.000 0.447 405 A N 0.461 123.313 122.820 0.054 0.000 1.874 405 A HA 0.011 4.331 4.320 0.000 0.000 0.214 405 A C 2.283 179.886 177.584 0.031 0.000 1.189 405 A CA 1.232 53.295 52.037 0.043 0.000 0.615 405 A CB -0.547 18.479 19.000 0.042 0.000 0.830 405 A HN 0.379 nan 8.150 nan 0.000 0.443 406 A N -0.273 122.564 122.820 0.028 0.000 1.908 406 A HA -0.038 4.283 4.320 0.000 0.000 0.218 406 A C 2.223 179.819 177.584 0.020 0.000 1.181 406 A CA 1.886 53.936 52.037 0.022 0.000 0.627 406 A CB -1.033 17.978 19.000 0.020 0.000 0.818 406 A HN 0.375 nan 8.150 nan 0.000 0.445 407 V N 0.080 120.006 119.914 0.020 0.000 2.231 407 V HA -0.334 3.786 4.120 0.000 0.000 0.248 407 V C 2.455 178.559 176.094 0.017 0.000 1.054 407 V CA 2.498 64.808 62.300 0.017 0.000 1.015 407 V CB -0.977 30.856 31.823 0.016 0.000 0.638 407 V HN 0.665 nan 8.190 nan 0.000 0.444 408 E N -0.263 119.949 120.200 0.020 0.000 2.058 408 E HA -0.221 4.129 4.350 0.000 0.000 0.194 408 E C 1.732 178.343 176.600 0.019 0.000 0.997 408 E CA 1.680 58.092 56.400 0.020 0.000 0.801 408 E CB -0.061 29.654 29.700 0.024 0.000 0.746 408 E HN 0.707 nan 8.360 nan 0.000 0.450 409 E N -0.830 119.381 120.200 0.019 0.000 2.676 409 E HA 0.244 4.594 4.350 0.000 0.000 0.222 409 E C 0.340 176.950 176.600 0.017 0.000 0.968 409 E CA 0.155 56.566 56.400 0.017 0.000 1.090 409 E CB 1.616 31.327 29.700 0.019 0.000 1.066 409 E HN 0.224 nan 8.360 nan 0.000 0.496 410 G N 1.526 110.336 108.800 0.017 0.000 2.725 410 G HA2 -0.216 3.744 3.960 0.000 0.000 0.220 410 G HA3 -0.216 3.744 3.960 0.000 0.000 0.220 410 G C -0.205 174.705 174.900 0.017 0.000 1.357 410 G CA -0.435 44.675 45.100 0.016 0.000 0.866 410 G HN 0.452 nan 8.290 nan 0.000 0.548 411 V N -2.337 117.587 119.914 0.016 0.000 3.019 411 V HA 0.999 5.120 4.120 0.000 0.000 0.317 411 V C 0.715 176.819 176.094 0.018 0.000 1.094 411 V CA 0.304 62.614 62.300 0.016 0.000 1.000 411 V CB 1.292 33.124 31.823 0.015 0.000 1.060 411 V HN 2.571 nan 8.190 nan 0.000 0.443 412 V N -0.980 118.945 119.914 0.018 0.000 3.202 412 V HA 0.976 5.096 4.120 0.000 0.000 0.306 412 V C 0.303 176.409 176.094 0.020 0.000 1.283 412 V CA -0.734 61.579 62.300 0.021 0.000 1.065 412 V CB 1.282 33.118 31.823 0.022 0.000 1.079 412 V HN 2.275 nan 8.190 nan 0.000 0.448 413 A N 0.621 123.456 122.820 0.025 0.000 2.537 413 A HA 0.488 4.809 4.320 0.000 0.000 0.260 413 A C 1.354 178.948 177.584 0.017 0.000 1.082 413 A CA 0.590 52.641 52.037 0.023 0.000 0.765 413 A CB -0.372 18.649 19.000 0.035 0.000 1.019 413 A HN 2.112 nan 8.150 nan 0.000 0.507 414 G N 2.045 110.849 108.800 0.006 0.000 2.880 414 G HA2 0.234 4.194 3.960 0.000 0.000 0.209 414 G HA3 0.234 4.194 3.960 0.000 0.000 0.209 414 G C 0.927 175.827 174.900 0.000 0.000 1.157 414 G CA 0.715 45.816 45.100 0.002 0.000 0.779 414 G HN 1.086 nan 8.290 nan 0.000 0.539 415 G N -0.572 108.230 108.800 0.003 0.000 3.314 415 G HA2 0.406 4.366 3.960 0.000 0.000 0.238 415 G HA3 0.406 4.366 3.960 0.000 0.000 0.238 415 G C 1.226 176.142 174.900 0.026 0.000 1.184 415 G CA 0.336 45.439 45.100 0.004 0.000 0.806 415 G HN 1.108 nan 8.290 nan 0.000 0.536 416 G N -0.670 108.145 108.800 0.025 0.000 2.358 416 G HA2 -0.397 3.563 3.960 0.000 0.000 0.224 416 G HA3 -0.397 3.563 3.960 0.000 0.000 0.224 416 G C 1.500 176.422 174.900 0.037 0.000 1.073 416 G CA 0.599 45.718 45.100 0.032 0.000 0.635 416 G HN 0.721 nan 8.290 nan 0.000 0.509 417 V N 1.757 121.696 119.914 0.043 0.000 2.258 417 V HA -0.270 3.850 4.120 0.000 0.000 0.259 417 V C 3.415 179.536 176.094 0.045 0.000 1.076 417 V CA 4.167 66.496 62.300 0.049 0.000 1.084 417 V CB -1.765 30.084 31.823 0.045 0.000 0.706 417 V HN 1.670 nan 8.190 nan 0.000 0.461 418 A N -0.185 122.657 122.820 0.038 0.000 1.896 418 A HA -0.235 4.085 4.320 0.000 0.000 0.220 418 A C 2.206 179.810 177.584 0.033 0.000 1.206 418 A CA 2.523 54.581 52.037 0.035 0.000 0.647 418 A CB -0.658 18.359 19.000 0.028 0.000 0.828 418 A HN 0.476 nan 8.150 nan 0.000 0.455 419 L N -0.711 120.531 121.223 0.031 0.000 2.046 419 L HA -0.153 4.187 4.340 0.000 0.000 0.208 419 L C 2.585 179.473 176.870 0.030 0.000 1.077 419 L CA 1.395 56.251 54.840 0.028 0.000 0.747 419 L CB -1.031 41.043 42.059 0.026 0.000 0.896 419 L HN 0.370 nan 8.230 nan 0.000 0.432 420 I N -0.020 120.571 120.570 0.036 0.000 2.335 420 I HA -0.296 3.874 4.170 0.000 0.000 0.251 420 I C 2.731 178.871 176.117 0.039 0.000 1.129 420 I CA 1.187 62.510 61.300 0.038 0.000 1.402 420 I CB -0.504 37.524 38.000 0.046 0.000 1.069 420 I HN 0.306 nan 8.210 nan 0.000 0.424 421 R N 0.987 121.512 120.500 0.043 0.000 2.055 421 R HA -0.124 4.216 4.340 0.000 0.000 0.228 421 R C 2.376 178.696 176.300 0.033 0.000 1.143 421 R CA 2.085 58.212 56.100 0.044 0.000 0.945 421 R CB -0.627 29.704 30.300 0.051 0.000 0.841 421 R HN 0.261 nan 8.270 nan 0.000 0.429 422 V N -0.703 119.228 119.914 0.029 0.000 2.392 422 V HA -0.128 3.992 4.120 0.000 0.000 0.249 422 V C 2.126 178.231 176.094 0.019 0.000 1.059 422 V CA 1.906 64.219 62.300 0.022 0.000 1.051 422 V CB -1.187 30.647 31.823 0.020 0.000 0.658 422 V HN 0.402 nan 8.190 nan 0.000 0.455 423 A N 1.449 124.281 122.820 0.020 0.000 1.873 423 A HA -0.158 4.162 4.320 0.000 0.000 0.215 423 A C 2.633 180.227 177.584 0.016 0.000 1.186 423 A CA 2.577 54.624 52.037 0.017 0.000 0.616 423 A CB -1.166 17.845 19.000 0.018 0.000 0.823 423 A HN 1.053 nan 8.150 nan 0.000 0.442 424 S N -0.348 115.364 115.700 0.019 0.000 2.474 424 S HA -0.115 4.355 4.470 0.000 0.000 0.235 424 S C 1.762 176.370 174.600 0.014 0.000 0.997 424 S CA 1.269 59.479 58.200 0.017 0.000 0.949 424 S CB -0.292 62.920 63.200 0.021 0.000 0.766 424 S HN 0.565 nan 8.310 nan 0.000 0.517 425 K N 1.020 121.429 120.400 0.015 0.000 1.973 425 K HA 0.028 4.348 4.320 0.000 0.000 0.210 425 K C 0.789 177.394 176.600 0.009 0.000 1.045 425 K CA 1.217 57.511 56.287 0.012 0.000 0.937 425 K CB -0.589 31.919 32.500 0.013 0.000 0.721 425 K HN 0.481 nan 8.250 nan 0.000 0.438 426 L N 0.014 121.243 121.223 0.009 0.000 2.727 426 L HA 0.300 4.640 4.340 0.000 0.000 0.237 426 L C 0.712 177.586 176.870 0.006 0.000 1.370 426 L CA -0.019 54.825 54.840 0.007 0.000 1.248 426 L CB 0.188 42.251 42.059 0.006 0.000 1.556 426 L HN -0.063 nan 8.230 nan 0.000 0.420 427 A N -1.335 121.489 122.820 0.006 0.000 2.507 427 A HA 0.237 4.557 4.320 0.000 0.000 0.270 427 A C 1.119 178.705 177.584 0.003 0.000 1.318 427 A CA -0.075 51.965 52.037 0.005 0.000 0.924 427 A CB -0.177 18.826 19.000 0.005 0.000 1.061 427 A HN 0.409 nan 8.150 nan 0.000 0.516 428 D N -0.872 119.530 120.400 0.003 0.000 2.388 428 D HA 0.092 4.732 4.640 0.000 0.000 0.208 428 D C 0.480 176.782 176.300 0.002 0.000 1.035 428 D CA -0.115 53.886 54.000 0.002 0.000 0.875 428 D CB 0.010 40.811 40.800 0.002 0.000 0.984 428 D HN 0.293 nan 8.370 nan 0.000 0.508 429 L N 2.310 123.535 121.223 0.002 0.000 2.693 429 L HA -0.103 4.237 4.340 0.000 0.000 0.292 429 L C 0.499 177.370 176.870 0.002 0.000 1.243 429 L CA 0.943 55.785 54.840 0.002 0.000 0.903 429 L CB -0.000 42.060 42.059 0.003 0.000 1.160 429 L HN -0.083 nan 8.230 nan 0.000 0.496 430 R N 3.058 123.559 120.500 0.001 0.000 2.919 430 R HA 0.755 5.095 4.340 0.000 0.000 0.260 430 R C 0.005 176.306 176.300 0.001 0.000 1.067 430 R CA -0.293 55.808 56.100 0.001 0.000 1.003 430 R CB 1.357 31.657 30.300 0.001 0.000 1.192 430 R HN 0.776 nan 8.270 nan 0.000 0.488 431 G N -0.066 108.734 108.800 0.001 0.000 3.212 431 G HA2 0.298 4.258 3.960 0.000 0.000 0.188 431 G HA3 0.298 4.258 3.960 0.000 0.000 0.188 431 G C -0.220 174.680 174.900 0.001 0.000 1.254 431 G CA -0.089 45.011 45.100 0.001 0.000 0.957 431 G HN 0.367 nan 8.290 nan 0.000 0.596 432 Q N -0.596 119.204 119.800 0.001 0.000 2.581 432 Q HA 0.182 4.522 4.340 0.000 0.000 0.222 432 Q C 1.056 177.056 176.000 0.001 0.000 0.904 432 Q CA -0.066 55.737 55.803 0.001 0.000 0.923 432 Q CB -0.181 28.557 28.738 0.000 0.000 1.117 432 Q HN 0.521 nan 8.270 nan 0.000 0.618 433 N N 2.199 120.899 118.700 0.001 0.000 2.454 433 N HA -0.082 4.659 4.740 0.000 0.000 0.260 433 N C 0.755 176.266 175.510 0.001 0.000 1.218 433 N CA 0.009 53.060 53.050 0.001 0.000 0.904 433 N CB 0.571 39.059 38.487 0.001 0.000 1.065 433 N HN 0.358 nan 8.380 nan 0.000 0.462 434 E N 2.337 122.538 120.200 0.001 0.000 2.396 434 E HA -0.263 4.087 4.350 0.000 0.000 0.200 434 E C 0.014 176.615 176.600 0.001 0.000 1.023 434 E CA 1.156 57.557 56.400 0.001 0.000 0.857 434 E CB 0.112 29.813 29.700 0.001 0.000 0.775 434 E HN 0.574 nan 8.360 nan 0.000 0.525 435 D N 1.097 121.498 120.400 0.002 0.000 2.183 435 D HA -0.093 4.547 4.640 0.000 0.000 0.203 435 D C 1.833 178.134 176.300 0.002 0.000 0.969 435 D CA 0.880 54.881 54.000 0.002 0.000 0.842 435 D CB -0.007 40.794 40.800 0.002 0.000 0.957 435 D HN 0.414 nan 8.370 nan 0.000 0.484 436 Q N 0.073 119.874 119.800 0.002 0.000 2.187 436 Q HA -0.042 4.298 4.340 0.000 0.000 0.199 436 Q C 1.711 177.712 176.000 0.002 0.000 0.957 436 Q CA 0.423 56.228 55.803 0.002 0.000 0.857 436 Q CB 0.103 28.842 28.738 0.001 0.000 0.929 436 Q HN 0.186 nan 8.270 nan 0.000 0.453 437 N N 0.541 119.242 118.700 0.002 0.000 2.036 437 N HA -0.161 4.579 4.740 0.000 0.000 0.195 437 N C 1.916 177.427 175.510 0.002 0.000 1.037 437 N CA 1.346 54.397 53.050 0.002 0.000 0.855 437 N CB -0.647 37.841 38.487 0.002 0.000 1.033 437 N HN 0.038 nan 8.380 nan 0.000 0.423 438 V N 0.995 120.910 119.914 0.003 0.000 2.324 438 V HA -0.224 3.896 4.120 0.000 0.000 0.250 438 V C 2.443 178.539 176.094 0.004 0.000 1.060 438 V CA 2.102 64.403 62.300 0.003 0.000 1.042 438 V CB -1.413 30.412 31.823 0.003 0.000 0.650 438 V HN 0.401 nan 8.190 nan 0.000 0.450 439 G N 0.221 109.023 108.800 0.003 0.000 2.480 439 G HA2 -0.257 3.703 3.960 0.000 0.000 0.216 439 G HA3 -0.257 3.703 3.960 0.000 0.000 0.216 439 G C 1.540 176.442 174.900 0.004 0.000 1.200 439 G CA 1.327 46.430 45.100 0.004 0.000 0.782 439 G HN 0.515 nan 8.290 nan 0.000 0.554 440 I N 0.558 121.130 120.570 0.003 0.000 2.208 440 I HA -0.183 3.987 4.170 0.000 0.000 0.245 440 I C 2.827 178.947 176.117 0.004 0.000 1.097 440 I CA 1.360 62.662 61.300 0.003 0.000 1.363 440 I CB -0.193 37.809 38.000 0.003 0.000 1.051 440 I HN 0.090 nan 8.210 nan 0.000 0.413 441 K N 0.572 120.975 120.400 0.004 0.000 1.985 441 K HA -0.143 4.177 4.320 0.000 0.000 0.210 441 K C 2.182 178.786 176.600 0.006 0.000 1.047 441 K CA 1.532 57.822 56.287 0.005 0.000 0.932 441 K CB -0.627 31.876 32.500 0.004 0.000 0.716 441 K HN 0.095 nan 8.250 nan 0.000 0.439 442 V N 1.709 121.626 119.914 0.006 0.000 2.242 442 V HA -0.386 3.734 4.120 0.000 0.000 0.257 442 V C 2.455 178.553 176.094 0.008 0.000 1.073 442 V CA 2.406 64.710 62.300 0.007 0.000 1.058 442 V CB -0.824 31.003 31.823 0.007 0.000 0.664 442 V HN 0.502 nan 8.190 nan 0.000 0.451 443 A N -1.201 121.623 122.820 0.007 0.000 1.873 443 A HA -0.124 4.196 4.320 0.000 0.000 0.215 443 A C 2.198 179.788 177.584 0.009 0.000 1.186 443 A CA 1.867 53.909 52.037 0.008 0.000 0.616 443 A CB -0.507 18.497 19.000 0.006 0.000 0.823 443 A HN 0.499 nan 8.150 nan 0.000 0.442 444 L N -0.831 120.397 121.223 0.008 0.000 1.990 444 L HA -0.221 4.119 4.340 0.000 0.000 0.213 444 L C 2.859 179.735 176.870 0.011 0.000 1.072 444 L CA 2.041 56.887 54.840 0.009 0.000 0.755 444 L CB -0.438 41.627 42.059 0.008 0.000 0.889 444 L HN 0.501 nan 8.230 nan 0.000 0.432 445 R N 0.149 120.655 120.500 0.010 0.000 2.235 445 R HA -0.097 4.243 4.340 0.000 0.000 0.213 445 R C 2.012 178.319 176.300 0.012 0.000 1.059 445 R CA 0.998 57.104 56.100 0.010 0.000 0.997 445 R CB -0.025 30.279 30.300 0.008 0.000 0.884 445 R HN 0.340 nan 8.270 nan 0.000 0.462 446 A N 0.684 123.511 122.820 0.012 0.000 2.067 446 A HA -0.031 4.289 4.320 0.000 0.000 0.217 446 A C 1.982 179.575 177.584 0.016 0.000 1.156 446 A CA 0.654 52.699 52.037 0.014 0.000 0.683 446 A CB -0.197 18.811 19.000 0.014 0.000 0.808 446 A HN 0.336 nan 8.150 nan 0.000 0.455 447 M N -0.192 119.417 119.600 0.016 0.000 2.476 447 M HA -0.080 4.400 4.480 0.000 0.000 0.262 447 M C 1.203 177.515 176.300 0.021 0.000 1.079 447 M CA 1.018 56.329 55.300 0.019 0.000 1.104 447 M CB -0.380 32.231 32.600 0.018 0.000 1.409 447 M HN 0.439 nan 8.290 nan 0.000 0.467 448 E N 0.945 121.156 120.200 0.019 0.000 2.481 448 E HA 0.040 4.390 4.350 0.000 0.000 0.195 448 E C 2.040 178.652 176.600 0.021 0.000 1.047 448 E CA 0.508 56.921 56.400 0.021 0.000 0.867 448 E CB -0.073 29.638 29.700 0.018 0.000 0.858 448 E HN 0.504 nan 8.360 nan 0.000 0.513 449 A N 2.660 125.491 122.820 0.019 0.000 1.877 449 A HA -0.116 4.204 4.320 0.000 0.000 0.216 449 A C -0.200 177.396 177.584 0.020 0.000 1.186 449 A CA 1.186 53.234 52.037 0.018 0.000 0.620 449 A CB -1.335 17.675 19.000 0.016 0.000 0.822 449 A HN 0.149 nan 8.150 nan 0.000 0.443 450 P HA -0.139 nan 4.420 nan 0.000 0.214 450 P C 1.763 179.080 177.300 0.029 0.000 1.163 450 P CA 0.941 64.055 63.100 0.023 0.000 0.883 450 P CB -0.110 31.604 31.700 0.022 0.000 0.788 451 L N -0.311 120.933 121.223 0.035 0.000 1.971 451 L HA -0.212 4.129 4.340 0.000 0.000 0.215 451 L C 2.451 179.347 176.870 0.043 0.000 1.072 451 L CA 2.019 56.889 54.840 0.049 0.000 0.758 451 L CB -0.877 41.215 42.059 0.056 0.000 0.889 451 L HN -0.272 nan 8.230 nan 0.000 0.433 452 R N -1.006 119.511 120.500 0.029 0.000 2.140 452 R HA -0.288 4.052 4.340 0.000 0.000 0.250 452 R C 2.370 178.683 176.300 0.022 0.000 1.150 452 R CA 2.157 58.269 56.100 0.020 0.000 0.966 452 R CB -0.488 29.821 30.300 0.014 0.000 0.869 452 R HN 0.483 nan 8.270 nan 0.000 0.445 453 Q N 0.334 120.148 119.800 0.023 0.000 2.016 453 Q HA -0.076 4.264 4.340 0.000 0.000 0.200 453 Q C 1.893 177.909 176.000 0.028 0.000 0.978 453 Q CA 1.569 57.385 55.803 0.021 0.000 0.833 453 Q CB -0.088 28.661 28.738 0.018 0.000 0.895 453 Q HN 0.264 nan 8.270 nan 0.000 0.427 454 I N -0.102 120.489 120.570 0.035 0.000 2.118 454 I HA -0.307 3.863 4.170 0.000 0.000 0.241 454 I C 2.206 178.359 176.117 0.061 0.000 1.070 454 I CA 1.300 62.625 61.300 0.042 0.000 1.327 454 I CB -1.280 36.749 38.000 0.048 0.000 1.034 454 I HN 0.111 nan 8.210 nan 0.000 0.405 455 V N 1.018 120.981 119.914 0.082 0.000 2.278 455 V HA -0.304 3.816 4.120 0.000 0.000 0.251 455 V C 2.587 178.712 176.094 0.051 0.000 1.062 455 V CA 2.159 64.512 62.300 0.089 0.000 1.038 455 V CB -0.716 31.125 31.823 0.030 0.000 0.646 455 V HN 0.364 nan 8.190 nan 0.000 0.447 456 L N 0.475 121.716 121.223 0.031 0.000 2.027 456 L HA -0.119 4.221 4.340 0.000 0.000 0.206 456 L C 2.239 179.121 176.870 0.020 0.000 1.074 456 L CA 1.959 56.811 54.840 0.020 0.000 0.745 456 L CB -0.796 41.271 42.059 0.014 0.000 0.898 456 L HN 0.304 nan 8.230 nan 0.000 0.433 457 N N -0.677 118.035 118.700 0.020 0.000 2.137 457 N HA -0.222 4.518 4.740 0.000 0.000 0.190 457 N C 1.831 177.352 175.510 0.017 0.000 1.017 457 N CA 1.784 54.843 53.050 0.016 0.000 0.859 457 N CB -1.032 37.463 38.487 0.014 0.000 1.002 457 N HN 0.445 nan 8.380 nan 0.000 0.428 458 C N -0.764 118.552 119.300 0.027 0.000 2.437 458 C HA 0.129 4.589 4.460 0.000 0.000 0.283 458 C C 1.876 176.883 174.990 0.027 0.000 1.424 458 C CA 0.696 59.732 59.018 0.029 0.000 1.782 458 C CB -1.342 26.431 27.740 0.056 0.000 1.833 458 C HN 0.685 nan 8.230 nan 0.000 0.532 459 G N 0.315 109.129 108.800 0.025 0.000 2.176 459 G HA2 -0.180 3.780 3.960 0.000 0.000 0.253 459 G HA3 -0.180 3.780 3.960 0.000 0.000 0.253 459 G C -0.050 174.862 174.900 0.020 0.000 0.979 459 G CA 0.355 45.466 45.100 0.019 0.000 0.641 459 G HN 0.570 nan 8.290 nan 0.000 0.530 460 E N 0.599 120.817 120.200 0.030 0.000 2.376 460 E HA 0.366 4.716 4.350 0.000 0.000 0.254 460 E C 0.140 176.739 176.600 -0.002 0.000 1.213 460 E CA -0.515 55.895 56.400 0.017 0.000 0.945 460 E CB 0.696 30.413 29.700 0.027 0.000 1.057 460 E HN 0.384 nan 8.360 nan 0.000 0.479 461 E N 1.229 121.415 120.200 -0.022 0.000 2.259 461 E HA 0.107 4.457 4.350 0.000 0.000 0.281 461 E C -1.762 174.812 176.600 -0.043 0.000 1.037 461 E CA -1.575 54.810 56.400 -0.026 0.000 0.854 461 E CB 1.206 30.890 29.700 -0.027 0.000 1.051 461 E HN 0.224 nan 8.360 nan 0.000 0.409 462 P HA -0.118 nan 4.420 nan 0.000 0.209 462 P C 1.455 178.737 177.300 -0.031 0.000 1.201 462 P CA 1.185 64.269 63.100 -0.027 0.000 0.911 462 P CB 0.016 31.710 31.700 -0.009 0.000 0.758 463 S N -0.113 115.576 115.700 -0.018 0.000 2.490 463 S HA -0.293 4.177 4.470 0.000 0.000 0.291 463 S C 2.018 176.602 174.600 -0.026 0.000 1.182 463 S CA 2.555 60.745 58.200 -0.017 0.000 1.215 463 S CB -2.154 61.038 63.200 -0.012 0.000 1.176 463 S HN -0.040 nan 8.310 nan 0.000 0.440 464 V N 1.717 121.611 119.914 -0.034 0.000 2.237 464 V HA -0.144 3.976 4.120 0.000 0.000 0.245 464 V C 2.727 178.789 176.094 -0.054 0.000 1.046 464 V CA 1.885 64.162 62.300 -0.038 0.000 1.007 464 V CB -0.856 30.948 31.823 -0.032 0.000 0.638 464 V HN 0.528 nan 8.190 nan 0.000 0.445 465 V N 0.213 120.064 119.914 -0.105 0.000 2.332 465 V HA -0.311 3.809 4.120 0.000 0.000 0.248 465 V C 2.660 178.727 176.094 -0.044 0.000 1.055 465 V CA 2.131 64.339 62.300 -0.153 0.000 1.038 465 V CB -1.171 30.379 31.823 -0.456 0.000 0.651 465 V HN 0.582 nan 8.190 nan 0.000 0.450 466 A N 0.720 123.520 122.820 -0.032 0.000 1.851 466 A HA -0.330 3.991 4.320 0.000 0.000 0.216 466 A C 2.075 179.662 177.584 0.005 0.000 1.195 466 A CA 2.471 54.509 52.037 0.002 0.000 0.622 466 A CB -1.001 17.999 19.000 0.001 0.000 0.831 466 A HN 0.690 nan 8.150 nan 0.000 0.444 467 N N -0.353 118.341 118.700 -0.010 0.000 2.061 467 N HA -0.220 4.520 4.740 0.000 0.000 0.193 467 N C 1.827 177.325 175.510 -0.019 0.000 1.030 467 N CA 3.448 56.491 53.050 -0.012 0.000 0.856 467 N CB -0.592 37.884 38.487 -0.019 0.000 1.023 467 N HN 0.514 nan 8.380 nan 0.000 0.424 468 T N -1.868 112.655 114.554 -0.050 0.000 2.821 468 T HA -0.055 4.295 4.350 0.000 0.000 0.267 468 T C 1.976 176.672 174.700 -0.008 0.000 1.046 468 T CA 1.488 63.528 62.100 -0.101 0.000 1.139 468 T CB -0.864 67.831 68.868 -0.289 0.000 0.871 468 T HN 0.036 nan 8.240 nan 0.000 0.454 469 V N 2.195 122.134 119.914 0.042 0.000 2.332 469 V HA -0.185 3.935 4.120 0.000 0.000 0.248 469 V C 2.892 179.068 176.094 0.137 0.000 1.055 469 V CA 2.106 64.480 62.300 0.123 0.000 1.038 469 V CB -0.598 31.294 31.823 0.115 0.000 0.651 469 V HN 0.562 nan 8.190 nan 0.000 0.450 470 K N 0.233 120.677 120.400 0.075 0.000 2.113 470 K HA -0.182 4.138 4.320 0.000 0.000 0.208 470 K C 2.179 178.808 176.600 0.048 0.000 1.047 470 K CA 1.632 57.952 56.287 0.055 0.000 0.928 470 K CB -0.744 31.773 32.500 0.028 0.000 0.716 470 K HN 0.590 nan 8.250 nan 0.000 0.446 471 G N 1.138 109.960 108.800 0.037 0.000 2.470 471 G HA2 -0.113 3.847 3.960 0.000 0.000 0.220 471 G HA3 -0.113 3.847 3.960 0.000 0.000 0.220 471 G C 0.883 175.768 174.900 -0.024 0.000 1.121 471 G CA 0.839 45.939 45.100 -0.001 0.000 0.766 471 G HN 0.391 nan 8.290 nan 0.000 0.553 472 G N -1.000 107.818 108.800 0.029 0.000 2.574 472 G HA2 0.504 4.464 3.960 0.000 0.000 0.248 472 G HA3 0.504 4.464 3.960 0.000 0.000 0.248 472 G C -0.899 174.003 174.900 0.003 0.000 1.422 472 G CA -0.407 44.651 45.100 -0.070 0.000 1.051 472 G HN 0.160 nan 8.290 nan 0.000 0.560 473 D N -2.127 118.281 120.400 0.014 0.000 2.570 473 D HA 0.476 5.116 4.640 0.000 0.000 0.244 473 D C 0.845 177.193 176.300 0.080 0.000 1.178 473 D CA 0.498 54.518 54.000 0.034 0.000 0.881 473 D CB 1.901 42.695 40.800 -0.009 0.000 1.453 473 D HN 0.822 nan 8.370 nan 0.000 0.447 474 G N 1.592 110.430 108.800 0.062 0.000 2.685 474 G HA2 -0.335 3.625 3.960 0.000 0.000 0.329 474 G HA3 -0.335 3.625 3.960 0.000 0.000 0.329 474 G C 0.391 175.349 174.900 0.096 0.000 1.271 474 G CA 0.282 45.422 45.100 0.067 0.000 1.003 474 G HN 0.585 nan 8.290 nan 0.000 0.549 475 N N 0.331 119.096 118.700 0.107 0.000 2.380 475 N HA 0.194 4.934 4.740 0.000 0.000 0.255 475 N C -0.333 175.272 175.510 0.159 0.000 1.158 475 N CA -0.045 53.069 53.050 0.106 0.000 0.878 475 N CB 0.447 38.977 38.487 0.071 0.000 1.138 475 N HN 0.451 nan 8.380 nan 0.000 0.509 476 Y N 1.203 121.533 120.300 0.050 0.000 2.377 476 Y HA 0.455 5.005 4.550 0.000 0.000 0.330 476 Y C 0.776 176.739 175.900 0.104 0.000 1.108 476 Y CA 0.069 58.213 58.100 0.072 0.000 1.308 476 Y CB 0.476 38.969 38.460 0.055 0.000 1.216 476 Y HN 0.149 nan 8.280 nan 0.000 0.518 477 G N 3.797 112.386 108.800 -0.353 0.000 2.634 477 G HA2 0.289 4.249 3.960 0.000 0.000 0.309 477 G HA3 0.289 4.249 3.960 0.000 0.000 0.309 477 G C -2.506 172.330 174.900 -0.108 0.000 1.299 477 G CA -0.852 44.147 45.100 -0.168 0.000 0.798 477 G HN 0.543 nan 8.290 nan 0.000 0.490 478 Y N 1.245 121.475 120.300 -0.116 0.000 2.350 478 Y HA 0.661 5.211 4.550 0.000 0.000 0.338 478 Y C -0.595 175.187 175.900 -0.196 0.000 0.961 478 Y CA -1.551 56.416 58.100 -0.222 0.000 1.100 478 Y CB 1.964 40.318 38.460 -0.176 0.000 1.179 478 Y HN 0.470 nan 8.280 nan 0.000 0.454 479 N N 4.756 123.042 118.700 -0.689 0.000 2.527 479 N HA 0.271 5.011 4.740 0.000 0.000 0.236 479 N C 0.384 175.389 175.510 -0.841 0.000 0.999 479 N CA 0.386 53.110 53.050 -0.544 0.000 0.935 479 N CB 1.282 39.565 38.487 -0.340 0.000 1.132 479 N HN 0.858 nan 8.380 nan 0.000 0.511 480 A N 3.517 125.928 122.820 -0.681 0.000 2.076 480 A HA -0.073 4.247 4.320 0.000 0.000 0.220 480 A C 2.009 179.409 177.584 -0.306 0.000 1.160 480 A CA 1.780 53.516 52.037 -0.503 0.000 0.653 480 A CB -0.609 18.303 19.000 -0.147 0.000 0.801 480 A HN 0.729 nan 8.150 nan 0.000 0.455 481 A N -0.630 122.040 122.820 -0.251 0.000 1.897 481 A HA -0.007 4.313 4.320 0.000 0.000 0.215 481 A C 2.213 179.698 177.584 -0.164 0.000 1.181 481 A CA 2.171 54.112 52.037 -0.159 0.000 0.620 481 A CB -0.735 18.193 19.000 -0.120 0.000 0.821 481 A HN 0.839 nan 8.150 nan 0.000 0.443 482 T N -3.073 111.350 114.554 -0.219 0.000 3.044 482 T HA 0.237 4.587 4.350 0.000 0.000 0.260 482 T C 0.091 174.667 174.700 -0.206 0.000 1.019 482 T CA 0.589 62.586 62.100 -0.171 0.000 0.921 482 T CB -0.309 68.474 68.868 -0.141 0.000 1.053 482 T HN 0.591 nan 8.240 nan 0.000 0.533 483 E N 0.428 120.422 120.200 -0.343 0.000 2.403 483 E HA -0.215 4.135 4.350 0.000 0.000 0.241 483 E C -0.638 175.777 176.600 -0.308 0.000 1.201 483 E CA 0.661 56.843 56.400 -0.362 0.000 0.721 483 E CB -2.218 27.443 29.700 -0.064 0.000 1.245 483 E HN 0.734 nan 8.360 nan 0.000 0.392 484 E N -0.429 119.528 120.200 -0.405 0.000 2.238 484 E HA 0.485 4.835 4.350 0.000 0.000 0.267 484 E C -0.686 175.734 176.600 -0.300 0.000 0.887 484 E CA -0.727 55.529 56.400 -0.239 0.000 0.769 484 E CB 1.073 30.713 29.700 -0.100 0.000 1.187 484 E HN 0.112 nan 8.360 nan 0.000 0.416 485 Y N 0.616 120.929 120.300 0.023 0.000 2.326 485 Y HA 0.706 5.256 4.550 0.000 0.000 0.324 485 Y C 1.128 176.977 175.900 -0.084 0.000 1.291 485 Y CA 0.232 58.264 58.100 -0.114 0.000 1.348 485 Y CB 1.504 39.876 38.460 -0.147 0.000 1.294 485 Y HN 0.649 nan 8.280 nan 0.000 0.525 486 G N 0.303 109.078 108.800 -0.042 0.000 2.344 486 G HA2 -0.045 3.915 3.960 0.000 0.000 0.282 486 G HA3 -0.045 3.915 3.960 0.000 0.000 0.282 486 G C -1.850 173.127 174.900 0.127 0.000 1.281 486 G CA -1.156 44.031 45.100 0.145 0.000 0.877 486 G HN 0.560 nan 8.290 nan 0.000 0.494 487 N N 1.357 120.142 118.700 0.142 0.000 2.439 487 N HA 0.123 4.863 4.740 0.000 0.000 0.243 487 N C 1.825 177.364 175.510 0.048 0.000 1.088 487 N CA -0.531 52.590 53.050 0.118 0.000 0.940 487 N CB 0.613 39.163 38.487 0.105 0.000 1.180 487 N HN 0.409 nan 8.380 nan 0.000 0.505 488 M N 3.240 122.855 119.600 0.026 0.000 2.143 488 M HA -0.228 4.252 4.480 0.000 0.000 0.258 488 M C 1.684 177.986 176.300 0.002 0.000 1.071 488 M CA 1.400 56.697 55.300 -0.005 0.000 1.088 488 M CB -0.565 32.032 32.600 -0.004 0.000 1.360 488 M HN 0.587 nan 8.290 nan 0.000 0.404 489 I N -0.060 120.521 120.570 0.020 0.000 2.233 489 I HA -0.257 3.913 4.170 0.000 0.000 0.243 489 I C 1.926 178.051 176.117 0.013 0.000 1.093 489 I CA 1.061 62.371 61.300 0.016 0.000 1.380 489 I CB -0.338 37.676 38.000 0.023 0.000 1.067 489 I HN 0.187 nan 8.210 nan 0.000 0.413 490 D N 0.908 121.320 120.400 0.021 0.000 2.106 490 D HA -0.230 4.410 4.640 0.000 0.000 0.191 490 D C 2.054 178.358 176.300 0.006 0.000 0.997 490 D CA 1.692 55.703 54.000 0.018 0.000 0.834 490 D CB -0.312 40.506 40.800 0.030 0.000 0.956 490 D HN 0.302 nan 8.370 nan 0.000 0.448 491 M N -0.692 118.908 119.600 0.000 0.000 2.700 491 M HA 0.135 4.615 4.480 0.000 0.000 0.249 491 M C 1.074 177.359 176.300 -0.026 0.000 1.082 491 M CA 0.834 56.123 55.300 -0.018 0.000 1.077 491 M CB 0.118 32.696 32.600 -0.037 0.000 1.477 491 M HN 0.121 nan 8.290 nan 0.000 0.529 492 G N 1.471 110.261 108.800 -0.016 0.000 2.149 492 G HA2 -0.185 3.775 3.960 0.000 0.000 0.235 492 G HA3 -0.185 3.775 3.960 0.000 0.000 0.235 492 G C -0.267 174.619 174.900 -0.022 0.000 1.018 492 G CA -0.466 44.625 45.100 -0.016 0.000 0.728 492 G HN 0.371 nan 8.290 nan 0.000 0.508 493 I N 1.560 122.115 120.570 -0.026 0.000 2.460 493 I HA 0.544 4.714 4.170 0.000 0.000 0.277 493 I C 0.438 176.547 176.117 -0.015 0.000 1.057 493 I CA -1.305 59.977 61.300 -0.030 0.000 1.179 493 I CB 0.476 38.446 38.000 -0.050 0.000 1.329 493 I HN 0.420 nan 8.210 nan 0.000 0.478 494 L N 2.814 124.033 121.223 -0.008 0.000 2.393 494 L HA 0.824 5.164 4.340 0.000 0.000 0.260 494 L C -1.514 175.358 176.870 0.002 0.000 1.002 494 L CA -0.589 54.252 54.840 0.001 0.000 0.818 494 L CB 3.223 45.285 42.059 0.005 0.000 1.369 494 L HN 0.091 nan 8.230 nan 0.000 0.412 495 D N 1.946 122.350 120.400 0.007 0.000 2.362 495 D HA 0.516 5.156 4.640 0.000 0.000 0.247 495 D C -2.627 173.679 176.300 0.011 0.000 1.050 495 D CA -1.292 52.713 54.000 0.007 0.000 0.839 495 D CB 2.381 43.187 40.800 0.008 0.000 1.283 495 D HN 0.389 nan 8.370 nan 0.000 0.477 496 P HA 0.024 nan 4.420 nan 0.000 0.267 496 P C 0.862 178.172 177.300 0.017 0.000 1.200 496 P CA 0.075 63.185 63.100 0.016 0.000 0.772 496 P CB 0.682 32.393 31.700 0.018 0.000 0.855 497 T N 1.934 116.499 114.554 0.018 0.000 2.684 497 T HA -0.201 4.149 4.350 0.000 0.000 0.267 497 T C 1.650 176.363 174.700 0.021 0.000 1.036 497 T CA 1.284 63.395 62.100 0.019 0.000 1.148 497 T CB -0.403 68.476 68.868 0.018 0.000 0.863 497 T HN 0.491 nan 8.240 nan 0.000 0.436 498 K N 0.512 120.926 120.400 0.022 0.000 2.052 498 K HA -0.200 4.120 4.320 0.000 0.000 0.215 498 K C 2.396 179.015 176.600 0.031 0.000 1.053 498 K CA 2.023 58.327 56.287 0.028 0.000 0.934 498 K CB -0.557 31.961 32.500 0.029 0.000 0.717 498 K HN 0.314 nan 8.250 nan 0.000 0.450 499 V N -0.149 119.778 119.914 0.022 0.000 2.323 499 V HA -0.182 3.938 4.120 0.000 0.000 0.244 499 V C 1.794 177.905 176.094 0.027 0.000 1.041 499 V CA 2.484 64.796 62.300 0.019 0.000 1.025 499 V CB -0.673 31.149 31.823 -0.002 0.000 0.656 499 V HN 0.390 nan 8.190 nan 0.000 0.451 500 T N 0.642 115.210 114.554 0.023 0.000 2.720 500 T HA -0.214 4.136 4.350 0.000 0.000 0.268 500 T C 1.920 176.639 174.700 0.032 0.000 1.037 500 T CA 2.289 64.404 62.100 0.025 0.000 1.144 500 T CB -0.407 68.474 68.868 0.022 0.000 0.864 500 T HN 0.658 nan 8.240 nan 0.000 0.444 501 R N 0.991 121.509 120.500 0.030 0.000 2.075 501 R HA -0.115 4.225 4.340 0.000 0.000 0.230 501 R C 2.612 178.938 176.300 0.042 0.000 1.140 501 R CA 1.961 58.077 56.100 0.026 0.000 0.928 501 R CB -0.597 29.713 30.300 0.017 0.000 0.834 501 R HN 0.245 nan 8.270 nan 0.000 0.429 502 S N 0.947 116.689 115.700 0.071 0.000 2.389 502 S HA -0.312 4.159 4.470 0.000 0.000 0.229 502 S C 2.118 176.850 174.600 0.219 0.000 1.048 502 S CA 1.708 60.006 58.200 0.163 0.000 1.117 502 S CB -0.776 62.537 63.200 0.188 0.000 1.020 502 S HN 0.635 nan 8.310 nan 0.000 0.430 503 A N 1.386 124.288 122.820 0.136 0.000 1.896 503 A HA -0.191 4.129 4.320 0.000 0.000 0.220 503 A C 2.179 179.827 177.584 0.106 0.000 1.206 503 A CA 1.947 54.050 52.037 0.110 0.000 0.647 503 A CB -0.985 18.048 19.000 0.054 0.000 0.828 503 A HN 0.476 nan 8.150 nan 0.000 0.455 504 L N -1.262 120.000 121.223 0.066 0.000 2.027 504 L HA -0.237 4.103 4.340 0.000 0.000 0.206 504 L C 2.870 179.758 176.870 0.031 0.000 1.074 504 L CA 2.084 56.949 54.840 0.041 0.000 0.745 504 L CB -0.481 41.591 42.059 0.022 0.000 0.898 504 L HN 0.543 nan 8.230 nan 0.000 0.433 505 Q N -1.464 118.338 119.800 0.003 0.000 2.119 505 Q HA -0.233 4.107 4.340 0.000 0.000 0.201 505 Q C 1.976 177.918 176.000 -0.098 0.000 0.972 505 Q CA 1.761 57.514 55.803 -0.082 0.000 0.847 505 Q CB -0.089 28.550 28.738 -0.166 0.000 0.903 505 Q HN 0.470 nan 8.270 nan 0.000 0.433 506 Y N -0.343 119.957 120.300 -0.001 0.000 2.263 506 Y HA -0.124 4.426 4.550 0.000 0.000 0.292 506 Y C 2.220 178.120 175.900 -0.000 0.000 1.130 506 Y CA 1.048 59.147 58.100 -0.001 0.000 1.179 506 Y CB -0.273 38.185 38.460 -0.004 0.000 0.998 506 Y HN 0.133 nan 8.280 nan 0.000 0.532 507 A N -0.378 122.533 122.820 0.153 0.000 1.968 507 A HA -0.031 4.289 4.320 0.000 0.000 0.217 507 A C 2.384 180.003 177.584 0.058 0.000 1.169 507 A CA 1.422 53.514 52.037 0.092 0.000 0.638 507 A CB -1.054 17.984 19.000 0.064 0.000 0.812 507 A HN 0.361 nan 8.150 nan 0.000 0.446 508 A N -0.259 122.583 122.820 0.035 0.000 1.969 508 A HA -0.059 4.261 4.320 0.000 0.000 0.218 508 A C 2.452 180.041 177.584 0.008 0.000 1.169 508 A CA 2.053 54.098 52.037 0.013 0.000 0.635 508 A CB -0.783 18.214 19.000 -0.005 0.000 0.810 508 A HN 0.715 nan 8.150 nan 0.000 0.445 509 S N -0.651 115.052 115.700 0.006 0.000 2.345 509 S HA -0.128 4.342 4.470 0.000 0.000 0.220 509 S C 1.951 176.569 174.600 0.029 0.000 1.031 509 S CA 1.762 59.963 58.200 0.002 0.000 0.996 509 S CB -0.630 62.558 63.200 -0.020 0.000 0.882 509 S HN 0.609 nan 8.310 nan 0.000 0.445 510 V N 1.503 121.448 119.914 0.053 0.000 2.719 510 V HA 0.186 4.306 4.120 0.000 0.000 0.252 510 V C 2.625 178.739 176.094 0.034 0.000 1.065 510 V CA 1.630 63.959 62.300 0.049 0.000 1.086 510 V CB -0.916 30.943 31.823 0.060 0.000 0.700 510 V HN 0.629 nan 8.190 nan 0.000 0.467 511 A N 0.174 123.012 122.820 0.030 0.000 1.898 511 A HA 0.028 4.348 4.320 0.000 0.000 0.216 511 A C 2.338 179.933 177.584 0.018 0.000 1.181 511 A CA 1.729 53.779 52.037 0.023 0.000 0.620 511 A CB -1.336 17.677 19.000 0.021 0.000 0.819 511 A HN 0.612 nan 8.150 nan 0.000 0.442 512 G N -0.210 108.599 108.800 0.015 0.000 2.421 512 G HA2 -0.116 3.844 3.960 0.000 0.000 0.216 512 G HA3 -0.116 3.844 3.960 0.000 0.000 0.216 512 G C 1.376 176.284 174.900 0.013 0.000 1.171 512 G CA 1.104 46.211 45.100 0.011 0.000 0.775 512 G HN 0.316 nan 8.290 nan 0.000 0.543 513 L N 0.234 121.467 121.223 0.016 0.000 2.051 513 L HA -0.065 4.275 4.340 0.000 0.000 0.214 513 L C 2.979 179.861 176.870 0.019 0.000 1.076 513 L CA 1.561 56.412 54.840 0.018 0.000 0.758 513 L CB -0.623 41.449 42.059 0.023 0.000 0.890 513 L HN 0.252 nan 8.230 nan 0.000 0.433 514 M N -1.856 117.757 119.600 0.020 0.000 2.123 514 M HA -0.163 4.317 4.480 0.000 0.000 0.263 514 M C 2.153 178.464 176.300 0.017 0.000 1.069 514 M CA 1.483 56.795 55.300 0.020 0.000 1.133 514 M CB -0.187 32.425 32.600 0.021 0.000 1.356 514 M HN 0.128 nan 8.290 nan 0.000 0.415 515 I N 0.048 120.627 120.570 0.016 0.000 2.700 515 I HA -0.216 3.954 4.170 0.000 0.000 0.261 515 I C 1.457 177.583 176.117 0.015 0.000 1.219 515 I CA 1.193 62.502 61.300 0.014 0.000 1.463 515 I CB -0.373 37.634 38.000 0.012 0.000 1.092 515 I HN 0.385 nan 8.210 nan 0.000 0.452 516 T N -3.932 110.631 114.554 0.016 0.000 3.215 516 T HA 0.183 4.533 4.350 0.000 0.000 0.271 516 T C 0.518 175.231 174.700 0.021 0.000 1.012 516 T CA -0.304 61.806 62.100 0.017 0.000 0.899 516 T CB -0.280 68.597 68.868 0.015 0.000 1.089 516 T HN -0.076 nan 8.240 nan 0.000 0.552 517 T N 2.504 117.070 114.554 0.021 0.000 2.767 517 T HA 0.329 4.679 4.350 0.000 0.000 0.288 517 T C 0.545 175.262 174.700 0.027 0.000 0.963 517 T CA -0.493 61.620 62.100 0.021 0.000 1.019 517 T CB 1.527 70.406 68.868 0.018 0.000 0.923 517 T HN 0.051 nan 8.240 nan 0.000 0.468 518 E N 0.679 120.901 120.200 0.036 0.000 2.413 518 E HA 0.178 4.528 4.350 0.000 0.000 0.203 518 E C 0.329 176.961 176.600 0.053 0.000 0.957 518 E CA 0.138 56.578 56.400 0.067 0.000 0.950 518 E CB 0.601 30.360 29.700 0.097 0.000 0.957 518 E HN 0.569 nan 8.360 nan 0.000 0.497 519 C N 0.076 119.360 119.300 -0.027 0.000 3.090 519 C HA 0.728 5.188 4.460 0.000 0.000 0.305 519 C C -1.433 173.484 174.990 -0.122 0.000 1.292 519 C CA -0.599 58.306 59.018 -0.189 0.000 1.482 519 C CB 0.846 28.452 27.740 -0.223 0.000 1.897 519 C HN 0.166 nan 8.230 nan 0.000 0.469 520 M N 4.471 123.986 119.600 -0.142 0.000 2.206 520 M HA 0.416 4.896 4.480 0.000 0.000 0.272 520 M C -1.243 175.106 176.300 0.081 0.000 1.012 520 M CA -0.331 54.995 55.300 0.043 0.000 0.986 520 M CB 1.917 34.642 32.600 0.209 0.000 1.740 520 M HN 0.428 nan 8.290 nan 0.000 0.472 521 V N 1.757 121.670 119.914 -0.002 0.000 2.547 521 V HA 0.860 4.980 4.120 0.000 0.000 0.299 521 V C -0.028 175.991 176.094 -0.125 0.000 1.040 521 V CA -0.267 62.007 62.300 -0.043 0.000 0.913 521 V CB 1.965 33.758 31.823 -0.050 0.000 0.992 521 V HN 0.923 nan 8.190 nan 0.000 0.449 522 T N 1.823 116.265 114.554 -0.187 0.000 2.718 522 T HA 0.257 4.608 4.350 0.000 0.000 0.306 522 T C -1.662 172.920 174.700 -0.196 0.000 1.485 522 T CA -0.663 61.273 62.100 -0.274 0.000 0.997 522 T CB 1.852 70.370 68.868 -0.582 0.000 1.504 522 T HN 0.683 nan 8.240 nan 0.000 0.497 523 D N 1.553 121.851 120.400 -0.170 0.000 2.344 523 D HA 0.286 4.926 4.640 0.000 0.000 0.244 523 D C 0.222 176.462 176.300 -0.099 0.000 1.134 523 D CA -0.245 53.692 54.000 -0.105 0.000 0.930 523 D CB 0.846 41.599 40.800 -0.077 0.000 1.175 523 D HN 0.418 nan 8.370 nan 0.000 0.437 524 L N 2.520 123.713 121.223 -0.050 0.000 2.453 524 L HA 0.084 4.424 4.340 0.000 0.000 0.272 524 L C -1.321 175.533 176.870 -0.025 0.000 1.182 524 L CA -1.309 53.517 54.840 -0.024 0.000 0.858 524 L CB 0.124 42.180 42.059 -0.006 0.000 1.120 524 L HN 0.235 nan 8.230 nan 0.000 0.474 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 525 P CB 0.000 31.710 31.700 0.017 0.000 0.726